smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCC[C@@H](C)NC(=O)c1ccccc1C 30353 XABXIPCVAVAJRI-LLVKDONJSA-N 205.301 2.913 0 40 BFAB CC(=O)O[C@@H]1CCCC[C@@H]1n1nc(C)cc1C 553888 OIBGRPDKPXNRMM-QWHCGFSZSA-N 236.315 2.547 0 40 BFAB CCN(CC)CCN(CC)c1ccccc1 1580717 BXEFFCMWYFJKBI-UHFFFAOYSA-N 220.360 2.855 0 40 BFAB CCOc1ccc(C(=O)OC(C)C)cc1 1598342 UMONDPXKVSKCON-UHFFFAOYSA-N 208.257 2.651 0 40 BFAB CCCn1c(=O)cc(C)c2ccccc21 1701903 OEWCXLWDMLNLHA-UHFFFAOYSA-N 201.269 2.720 0 40 BFAB CCCCCC(=O)Nc1ccc(C(=O)OC)cc1 2057678 LZCJIBUYZBWJBF-UHFFFAOYSA-N 249.310 2.992 0 40 BFAB Oc1cc(Br)c2cc[nH]c2c1 2384054 FIFVIIXRKRKEOZ-UHFFFAOYSA-N 212.046 2.636 0 40 BFAB CCC/C=C/COC(=O)c1ccccc1O 2575438 DLWPCXLFHSLSMZ-QPJJXVBHSA-N 220.268 2.905 0 40 BFAB CCCCCCc1nnc(NC(C)=O)s1 3016585 NFMMETLZXGRHHH-UHFFFAOYSA-N 227.333 2.619 0 40 BFAB CC[C@@H](CO)NCc1cccc2ccccc12 4695042 YVBGOMBRFIXNPF-AWEZNQCLSA-N 229.323 2.700 0 40 BFAB c1ccc(CN2CO[C@@H]3CCCC[C@@H]32)cc1 5463362 UHPYVHWCNHLAGQ-UONOGXRCSA-N 217.312 2.788 0 40 BFAB CN1CCCC[C@@H]1C[C@H](O)c1ccccc1 5707473 GOWRYACIDZSIHI-KGLIPLIRSA-N 219.328 2.594 0 40 BFAB biogenic,in-vitro C[C@@H]1CCCCN1C(=O)[C@@H]1CC=CCC1 6030847 KRHYGGFLEBNTHQ-VXGBXAGGSA-N 207.317 2.744 0 40 BFAB CCc1cc(=O)[nH]c(Nc2cccc(Cl)c2)n1 11903419 JQXQJXNBBGAKQS-UHFFFAOYSA-N 249.701 2.729 0 40 BFAB c1cc2c(cc1OCC[C@@H]1CCCNC1)CCC2 14632376 OTZRTVIJIISUQG-ZDUSSCGKSA-N 245.366 2.944 0 40 BFAB C[C@H]1CCCC[C@@H]1Nc1cccc(C(N)=O)c1 20124822 YGGLFJUQOBHHRE-GWCFXTLKSA-N 232.327 2.776 0 40 BFAB COc1cc(C)ccc1OCC[C@@H]1CCCCN1 20593610 ODAFYBHSTRRWIH-ZDUSSCGKSA-N 249.354 2.915 0 40 BFAB Cc1cccc(C(=O)Nc2cccc(F)c2)n1 24255348 KTGSVHPYDLKUDO-UHFFFAOYSA-N 230.242 2.781 0 40 BFAB Clc1ccccc1COC[C@@H]1CCCN1 28521845 DQFGQHFLQPMPSU-NSHDSACASA-N 225.719 2.609 0 40 BFAB CN[C@H](C)Cc1cccc(C(F)(F)F)c1 33826148 WAUORSZPKUHOSM-MRVPVSSYSA-N 217.234 2.856 0 40 BFAB CCOC(=O)/C=C/CCc1ccccc1 33842868 KODUAASIAODNCH-YRNVUSSQSA-N 204.269 2.739 0 40 BFAB COc1ccc(C)cc1N[C@H](C)c1nc(C)no1 36396769 ULSBFMBHOKKTOF-SECBINFHSA-N 247.298 2.868 0 40 BFAB CCCCNC(=O)N(Cc1cccnc1)C(C)C 48303137 HKERSXJDXMOCQP-UHFFFAOYSA-N 249.358 2.802 0 40 BFAB Cc1cc(CNC(=O)C2CCCC2)c(C)o1 70640326 KMHJNRIJYVERJK-UHFFFAOYSA-N 221.300 2.703 0 40 BFAB COCCC(=O)N(c1ccccc1)C1CCCC1 71888878 ZZVPNXYNAFQRLM-UHFFFAOYSA-N 247.338 2.999 0 40 BFAB Brc1ccc(C2CCOCC2)nc1 72192294 BAZWZQSYXGEYGH-UHFFFAOYSA-N 242.116 2.738 0 40 BFAB CCCNc1ncccc1[C@@H]1CCCN1C 72213119 VTZQYRLHYFUEKC-LBPRGKRZSA-N 219.332 2.670 0 40 BFAB Cc1nc(SC(C)(C)C)ccc1C(=O)O 72224899 HFEXEJLMBVOSII-UHFFFAOYSA-N 225.313 2.979 0 40 BFAB CC(C)(C)CC(=O)N1CCC(c2ccn[nH]2)CC1 72350817 WCQMNPCVMMJTGP-UHFFFAOYSA-N 249.358 2.552 0 40 BFAB C[C@@H](NC(=O)OC(C)(C)C)c1cccc(O)c1 83502046 WOFCTRSNCBCJCV-SECBINFHSA-N 237.299 2.978 0 40 BFAB in-vitro CCCCNCc1cccc(C)c1OC 95094799 YCIWSLAZEFTUPC-UHFFFAOYSA-N 207.317 2.893 0 40 BFAB Brc1ccc([C@H]2CCCCN2)nc1 95639315 KGDVRGKGCPYUMA-SECBINFHSA-N 241.132 2.659 0 40 BFAB CC(=O)OCCc1ccc(Cl)cc1C 95730019 NUWQEEPJQHNMGD-UHFFFAOYSA-N 212.676 2.754 0 40 BFAB CCCOc1c(F)cc(F)cc1[C@@H](C)O 95739596 RWNDDKZTKTVIDJ-SSDOTTSWSA-N 216.227 2.807 0 40 BFAB O=C(OCC[C@@H]1CCCO1)c1ccc(F)cc1 96453112 VBNQQVBZYLBQHF-LBPRGKRZSA-N 238.258 2.552 0 40 BFAB CN(Cc1ccncc1)C[C@@H]1CC=CCC1 97086378 IRMNLMOKTPQSOF-CYBMUJFWSA-N 216.328 2.870 0 40 BFAB O=C(O)C12CC3C[C@H](C1)C(F)(F)[C@H](C3)C2 100076756 STPITGHNDOOTFQ-FATLICPNSA-N 216.227 2.533 0 40 BFAB Cc1c(N[C@@H](C)[C@@H]2CCOC2)cccc1N(C)C 195115985 MMXMMIKEZBLJSO-QWHCGFSZSA-N 248.370 2.898 0 40 BFAB COc1ccc(C(=O)CCc2ccc[nH]2)cc1F 199731806 ZJIXFXSSMNDFTD-UHFFFAOYSA-N 247.269 2.978 0 40 BFAB Cc1ccc(C(=O)N[C@@]2(C)CCCOC2)c(C)c1 390833684 LLENZNKSPOLLCA-HNNXBMFYSA-N 247.338 2.602 0 40 BFAB Cc1coc(C(=O)NCc2ncc(C)cc2C)c1 831523029 DGWNOIDTKJURGS-UHFFFAOYSA-N 244.294 2.530 0 40 BFAB O=C(c1cccc(F)c1)n1cnc2ccccc21 368880 FNULWJWOAZPVJH-UHFFFAOYSA-N 240.237 2.864 0 40 BFAB C[C@H](O)c1nc2cc3ccccc3cc2[nH]1 793071 JUUWHNCMDJJGBI-QMMMGPOBSA-N 212.252 2.769 0 40 BFAB CC1(C)C[C@]23C(=O)CCC(=O)[C@@]2(C)CC[C@@H]13 1410175 PLFWLYJWPAOEIB-FZZIBODNSA-N 220.312 2.751 0 40 BFAB CCOP(=O)(OCC)C(=O)N(CC)CC 1597519 IDCSCRMSZXLSAE-UHFFFAOYSA-N 237.236 2.714 0 40 BFAB CCC[C@@H](C)OC(=O)c1cccc(N)c1 1671451 AABCCFODYAMHSW-SECBINFHSA-N 207.273 2.614 0 40 BFAB O[C@@H]1c2ccccc2CCC[C@@H]1N1CCCCC1 1716416 YHKXIOBTHOUEOA-JKSUJKDBSA-N 245.366 2.911 0 40 BFAB Cc1nnsc1Sc1ccccc1 3125332 BGRSUEVIZNLPGR-UHFFFAOYSA-N 208.311 2.998 0 40 BFAB in-vitro c1ccc2sc(NC[C@@H]3CCCO3)nc2c1 3245224 ZBYZZQOXZMQOCI-VIFPVBQESA-N 234.324 2.887 0 40 BFAB CNc1ccccc1C(=O)NC1CCCCC1 4306902 GCAHJISFCQBDSB-UHFFFAOYSA-N 232.327 2.791 0 40 BFAB O=C(Nc1cccc(F)c1)c1cncs1 4728161 FOPHDBBKHKJDMN-UHFFFAOYSA-N 222.244 2.535 0 40 BFAB CCOCCn1c(=S)[nH]c2ccccc21 6870191 YMZVACWKEFEQDB-UHFFFAOYSA-N 222.313 2.735 0 40 BFAB Cc1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1C 7638205 QNRXZAYXVFZKQV-JQWIXIFHSA-N 203.285 2.898 0 40 BFAB CCOc1ccc(CN[C@@H](C)CC)cc1OC 8326703 DBUCPIPTXMSJFL-NSHDSACASA-N 237.343 2.982 0 40 BFAB CCOc1c(CN[C@@H](C)CC)cccc1OC 8326775 MRSZDPLRBMCXGH-NSHDSACASA-N 237.343 2.982 0 40 BFAB O=C(O)/C=C/c1ccc(OC2CCCC2)nc1 12359611 DCNDSOLFJFPRJP-SOFGYWHQSA-N 233.267 2.501 0 40 BFAB CCCCOC(=O)c1[nH]c(C)c(C(C)=O)c1C 12568334 GKCJRWRTMMVNDX-UHFFFAOYSA-N 237.299 2.791 0 40 BFAB Oc1cc(Br)cc2[nH]ccc12 14983087 HHYWLIRDFVYLRO-UHFFFAOYSA-N 212.046 2.636 0 40 BFAB in-vitro CCN(CC)[C@@H](C(=O)O)c1ccc(Cl)cc1 16844074 GDSYQHCEJCORIB-LLVKDONJSA-N 241.718 2.808 0 40 BFAB C[C@@H](NCCc1ccccc1F)C1CC1 19912711 OXYXJZIPKQVFNB-SNVBAGLBSA-N 207.292 2.756 0 40 BFAB CCOc1cccc([C@@H](C)NC(=O)NC2CC2)c1 20538100 NITZVQIXZPRZSC-SNVBAGLBSA-N 248.326 2.608 0 40 BFAB Oc1ccc2nc(N3CCCC3)sc2c1 26424222 NLAXJTDBIXYYHP-UHFFFAOYSA-N 220.297 2.602 0 40 BFAB CN(Cc1cccc(F)c1)C(=O)C(C)(C)C 33000184 GZHLZRKCPXVPDV-UHFFFAOYSA-N 223.291 2.830 0 40 BFAB Cc1cc(-c2ccccc2)nc2[nH]nc(O)c12 34700820 VROFMXDZIPQFEX-UHFFFAOYSA-N 225.251 2.639 0 40 BFAB O=C(Nc1ccnn1C1CCCC1)c1ccco1 36397249 STKVIASSCRTHGF-UHFFFAOYSA-N 245.282 2.844 0 40 BFAB CNCCSc1ccc(Cl)cc1 36720680 XMUIHVBQZJLQFR-UHFFFAOYSA-N 201.722 2.652 0 40 BFAB Cc1ccc(NCc2nccn2C)cc1C 36804446 OTNUQBQCTVQPAA-UHFFFAOYSA-N 215.300 2.649 0 40 BFAB O[C@@H]1C[C@H]2C=C[C@H]3C=C(c4ccccc4)[C@@H]1[C@@H]23 45070838 CFWGFWXYQMMSFE-USNPWTNRSA-N 224.303 2.883 0 40 BFAB CC(C)Oc1ccccc1/C=C/[N+](=O)[O-] 48727947 WVZJPPHQQFQWPJ-BQYQJAHWSA-N 207.229 2.721 0 40 BFAB C[C@@H](CN)Cc1ccc(C(F)(F)F)cc1 52946793 LFFQYRJEEYDAGT-MRVPVSSYSA-N 217.234 2.843 0 40 BFAB Fc1ccc([C@H]2CO2)cc1Br 55027029 KGZGYLSAJXQGND-MRVPVSSYSA-N 217.037 2.660 0 40 BFAB in-vitro CCO[C@H](CN)c1ccc2ccccc2c1 62711944 DXRCXYSYKJLDCZ-CQSZACIVSA-N 215.296 2.876 0 40 BFAB CCOC(=O)c1cc2cnsc2s1 69476370 KQHGNHXOPGUKNG-UHFFFAOYSA-N 213.283 2.535 0 40 BFAB CC[C@@H](O)c1cnc(N(CC)CC)c(C)c1 72222225 SEEKYTXUNHVKLY-GFCCVEGCSA-N 222.332 2.680 0 40 BFAB Cc1ccc(Br)c(F)c1C=O 75914828 OASJMFLMYLFOES-UHFFFAOYSA-N 217.037 2.709 0 40 BFAB O=C(O)c1ccc(Cc2ccc(Cl)cc2)[nH]1 82331931 JXHGILSAFBKVSH-UHFFFAOYSA-N 235.670 2.957 0 40 BFAB CC[C@@H]1Oc2cc(Br)ccc2[C@@H]1N 87015753 UIWMYSLDMCUPGG-WPRPVWTQSA-N 242.116 2.620 0 40 BFAB Cc1cccc(NC(=O)NCCc2ccoc2)c1 90607452 VIEXBPXDXWDSTO-UHFFFAOYSA-N 244.294 2.952 0 40 BFAB CC[C@H](C)Nc1cccc(CN2CCOCC2)c1 95991588 UQHKNBPVSHORGG-ZDUSSCGKSA-N 248.370 2.729 0 40 BFAB O=C1Nc2c(C(F)(F)F)cccc2C12CC2 96028803 WPKXNYINDCZGOU-UHFFFAOYSA-N 227.185 2.689 0 40 BFAB CC(C)SCCS(=O)(=O)c1ccccc1 96403295 PVPRIANOBJHMMD-UHFFFAOYSA-N 244.381 2.602 0 40 BFAB CC(=O)CC(=O)c1ccc(F)c(Cl)c1 101839690 ABFIMSUVEDTLSG-UHFFFAOYSA-N 214.623 2.641 0 40 BFAB CCOC(=O)CNc1cccc(C(C)(F)F)c1 187588421 SUZUQHZGZTUDRT-UHFFFAOYSA-N 243.253 2.773 0 40 BFAB COC(=O)[C@H]1[C@H](C(F)=C(C)C)C1(C)C 261828087 AFACSBUBJCFCHH-HTQZYQBOSA-N 200.253 2.695 0 40 BFAB Cc1ccc2nc(S)[nH]c(=S)c2c1 1559183 IZECDIYLLINNAL-UHFFFAOYSA-N 208.311 2.890 0 40 BFAB CC1(C)CCC(CC(=O)O)(CC(=O)O)CC1 1610555 AYBICQCXGRPBLK-UHFFFAOYSA-N 228.288 2.522 0 40 BFAB O=C1O[C@@H](Cc2ccccc2)[C@H]1c1ccccc1 1681773 FJKYJODNGSADFL-LSDHHAIUSA-N 238.286 2.938 0 40 BFAB CCn1nccc1CNc1ccc(F)cc1F 2536427 DBXBHNMBGQBGTN-UHFFFAOYSA-N 237.253 2.793 0 40 BFAB CCC(=O)OCC(=O)[C@@]1(C)CC[C@@H](C)C1(C)C 3846176 RQELJROWWRKCPP-QMTHXVAHSA-N 240.343 2.971 0 40 BFAB biogenic CCCC[C@H](CC)CNc1ncnc2[nH]ncc12 4353493 NRNRKJUINOARAS-JTQLQIEISA-N 247.346 2.981 0 40 BFAB CCOc1ccccc1CN(CC)CC 4551673 MFZBMVBKFJMTFZ-UHFFFAOYSA-N 207.317 2.927 0 40 BFAB CCc1ccc2c(c1)[C@H](O)c1ccccc1[C@@H]2O 5471539 BCOIBXZDUNKNNS-JKSUJKDBSA-N 240.302 2.726 0 40 BFAB C[C@H]1CCCC[C@@H]1Nc1nnc(S)s1 6383293 VPEXGPZGXPUORY-BQBZGAKWSA-N 229.374 2.817 0 40 BFAB in-vitro CC(C)(COc1ccccc1Cl)C(=O)O 11886108 WPJKEIXCKPDCHZ-UHFFFAOYSA-N 228.675 2.830 0 40 BFAB Cc1ccsc1/C=C1/SC(=O)N(C)C1=O 12482310 AHICOTFNDOKNJR-VMPITWQZSA-N 239.321 2.723 0 40 BFAB CC[C@@H]1CN(C(=O)Nc2cccc(C)c2)CCO1 12877723 VUAPHXPXRLRITF-CYBMUJFWSA-N 248.326 2.638 0 40 BFAB Fc1ccccc1/C=C\c1ccnnc1 17106419 VTISJDDEAHTGQV-WAYWQWQTSA-N 200.216 2.786 0 40 BFAB CC[C@@H](C)S(=O)(=O)Nc1ccc(C)c(C)c1 24614037 SLABUCFVDTWMNX-LLVKDONJSA-N 241.356 2.844 0 40 BFAB CCCCCNc1nn2cc(C)nc2s1 26690501 LIGPAWXNAKBCKZ-UHFFFAOYSA-N 224.333 2.701 0 40 BFAB COCCSc1nc(-c2ccccc2)c[nH]1 29029742 LTOXECCJMMUWAB-UHFFFAOYSA-N 234.324 2.815 0 40 BFAB CC1CCN(C(=O)C[C@H]2C=CCC2)CC1 32747785 FBZBUHRDXGOXNO-LBPRGKRZSA-N 207.317 2.601 0 40 BFAB Fc1ccc(OCC[C@H]2CCCCN2)cc1F 36750000 XVYKVASWEYQDJR-SNVBAGLBSA-N 241.281 2.876 0 40 BFAB CC[C@H](C)C(=O)c1cc(OC)ccc1OC 36940124 KWTIXIVJOSQZBU-VIFPVBQESA-N 222.284 2.933 0 40 BFAB Cc1ccc(C)c(C(=O)Nc2cc(C)nn2C)c1 40516263 LBLDCYDSWPDGKK-UHFFFAOYSA-N 243.310 2.598 0 40 BFAB OCCc1ccc(NC2CCCC2)cc1 40737827 DLQRDFYHJDQVJN-UHFFFAOYSA-N 205.301 2.576 0 40 BFAB c1ccc(COCCC[C@@H]2CCNC2)cc1 42784201 AMZLYBFWCINLDK-CYBMUJFWSA-N 219.328 2.593 0 40 BFAB Cc1ccnc(C(=O)c2cc(F)ccc2F)c1 45028629 VJVKKKYBWCDICO-UHFFFAOYSA-N 233.217 2.899 0 40 BFAB Cc1cc(NC(=O)CCC2CCCC2)[nH]n1 47555474 FLIMBAHPRWJLCP-UHFFFAOYSA-N 221.304 2.627 0 40 BFAB C[C@@H](Cn1cccn1)NC/C=C/c1ccccc1 51790181 IZMROMUNBFBOSZ-KVEVGEHQSA-N 241.338 2.575 0 40 BFAB O=c1oc(-c2cccs2)nn1[C@@H]1C=CCCC1 58428231 WKQNQLXAGRGYQU-SECBINFHSA-N 248.307 2.846 0 40 BFAB CCc1ccc2cc(C(=O)O)n(CC)c2c1 67799478 FKUTVAZESJQZPY-UHFFFAOYSA-N 217.268 2.922 0 40 BFAB CNC/C=C/c1ccccc1C(F)(F)F 70453354 YISZQNQRLOWZGQ-GQCTYLIASA-N 215.218 2.938 0 40 BFAB Sc1nccc(-c2ccnc3ccccc23)n1 72207327 FEMAYTPFQAJNSX-UHFFFAOYSA-N 239.303 2.981 0 40 BFAB Cc1nc(N(C)C)ccc1[C@H]1CCCCN1C 72218755 GJNNQIXERKLWCK-CYBMUJFWSA-N 233.359 2.613 0 40 BFAB Cc1nc(NC(C)(C)C)ccc1[C@H](C)N 72225019 MZWWVJSVSLDPMJ-QMMMGPOBSA-N 207.321 2.620 0 40 BFAB N[C@@H]1C[C@@H]1Cc1ccc(C(F)(F)F)cc1 75772396 ZBSMXVIYDHCTBX-WCBMZHEXSA-N 215.218 2.595 0 40 BFAB in-vitro CN(C)c1cccc(Br)c1F 75842491 RUXGQSSSHDVKRW-UHFFFAOYSA-N 218.069 2.654 0 40 BFAB CC(C)c1cc(C(=O)Nc2ccncc2F)on1 95441783 KPEIYVWGRLMYBN-UHFFFAOYSA-N 249.245 2.584 0 40 BFAB C1CCC(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 95444348 QVDFNILQWNDXDK-MJBXVCDLSA-N 235.371 2.866 0 40 BFAB CC(C)[C@H](N)CCN(C)CCc1ccccc1 96523830 GHYFDUBQJPQCED-OAHLLOKOSA-N 234.387 2.534 0 40 BFAB CCN(CC(F)(F)F)C(=O)[C@@H]1CC=CCC1 97211557 MSBCMSNNVOKINK-SECBINFHSA-N 235.249 2.754 0 40 BFAB O=c1[nH]c2ccc(C(F)(F)F)cc2cc1F 98175042 AVSXYYCAFOSCGH-UHFFFAOYSA-N 231.148 2.686 0 40 BFAB C[C@@H]1Oc2c(ccc(Cl)c2Cl)C1=O 100622017 OLJHNKHHGCVVDO-BYPYZUCNSA-N 217.051 2.957 0 40 BFAB in-vitro Cc1sc(Br)c(N)c1C 132943828 IBXIUTGRKWBAMP-UHFFFAOYSA-N 206.108 2.710 0 40 BFAB CC[C@H](N[C@@H]1C=C[C@H](CO)C1)c1ccc(F)cc1 195558608 GJIAQQKXPCVZSI-GLQYFDAESA-N 249.329 2.803 0 40 BFAB Cc1n[nH]c(C)c1[C@H](C)c1nc(C(C)C)no1 195578676 QXIBARIUKMOWPV-ZETCQYMHSA-N 234.303 2.685 0 40 BFAB Cc1cccc(N[C@@H]2CCC[C@H]2N)c1C 218880979 ZGIGEZMFXQNZOB-DGCLKSJQSA-N 204.317 2.595 0 40 BFAB Cc1cc2nnn(C(=O)C(C)(C)C)c2cc1C 256054166 VEHFPRJZJZZSBH-UHFFFAOYSA-N 231.299 2.734 0 40 BFAB O=C(O)C[C@H]1COc2ccc(C(F)(F)F)cc21 257974155 GQLCSPVTSQTQEI-LURJTMIESA-N 246.184 2.656 0 40 BFAB COc1cc(C(=O)[C@H](C)Cl)cc(F)c1F 382674864 MCDMYECJSTTWSL-YFKPBYRVSA-N 234.629 2.783 0 40 BFAB CC(C)(C)C(=O)NCc1cncc(C2CC2)c1 575606994 XPTAXLGYOCXLJA-UHFFFAOYSA-N 232.327 2.621 0 40 BFAB CCn1c(=O)oc2c(C)cc(Cl)cc21 634553266 MWWNDHAUYNADOO-UHFFFAOYSA-N 211.648 2.576 0 40 BFAB Cc1cc(Cl)cnc1C(=O)C(F)(F)F 1504244849 KGRNCOFLRJJYJJ-UHFFFAOYSA-N 223.581 2.788 0 40 BFAB CCC[n+]1cccc(C(=O)c2ccccc2)c1 365407 GSFOJRUZKNWYBL-UHFFFAOYSA-N 226.299 2.615 0 40 BFAB c1ccc(C2=NN(c3ccccc3)C2)cc1 3847293 GGKMCBRXJZSYDF-UHFFFAOYSA-N 208.264 2.911 0 40 BFAB biogenic Cc1c(N)cccc1N1[C@@H](C)CC[C@@H]1C 8703834 NJPMMRMJFJFGMA-UWVGGRQHSA-N 204.317 2.954 0 40 BFAB O=C(O)c1ccccc1OC1CCCC1 9237053 RNMYGQSMHXPHFD-UHFFFAOYSA-N 206.241 2.706 0 40 BFAB in-vitro CCCCC(=O)Nc1onc2c1C[C@H](C)CC2 11917218 GHCZJNGEBOQTSC-SECBINFHSA-N 236.315 2.928 0 40 BFAB CCn1cc(-c2cc3ccccn3c2)cn1 12398539 KYIGFYKGYBZWLG-UHFFFAOYSA-N 211.268 2.823 0 40 BFAB S=C(Nc1cccnc1)N[C@@H]1C[C@H]2CC[C@@H]1C2 12597975 ONMQNDJMGPVZQX-HOSYDEDBSA-N 247.367 2.557 0 40 BFAB CC1=N/C(=C\C=C/c2ccccc2)C(=O)O1 17129144 SQIINWMZSDPVND-CVNCVQKXSA-N 213.236 2.559 0 40 BFAB CCN(CC)C(=O)c1ccc(O)c(Cl)c1 19837008 RFUYFRIRMSQWDA-UHFFFAOYSA-N 227.691 2.528 0 40 BFAB CCc1ccc([C@@H]2SCC(=O)N2C2CC2)cc1 19926914 INJGEAVVYAVAGO-AWEZNQCLSA-N 247.363 2.985 0 40 BFAB Nc1ccc(NC(=O)C2CCCC2)c(F)c1 20157274 MFKTZGWIZMLSSJ-UHFFFAOYSA-N 222.263 2.537 0 40 BFAB O=C1Nc2ccccc2Sc2ncccc21 21160853 MHFFMYZSCIPGBD-UHFFFAOYSA-N 228.276 2.799 0 40 BFAB CCc1nc2c(sc3cccc(F)c32)c(=O)[nH]1 21774838 PAPBWLZOABSQLS-UHFFFAOYSA-N 248.282 2.839 0 40 BFAB CC(C)(C)c1ccc(OCc2nnc(N)o2)cc1 26473160 WKLHGBZSFIJFEC-UHFFFAOYSA-N 247.298 2.528 0 40 BFAB CCCCC(=O)N1CCn2c1nc1ccccc12 32752863 WYAGJPBCIJDKKK-UHFFFAOYSA-N 243.310 2.573 0 40 BFAB C/C=C/C=C/C(=O)Nc1nc(C)c(C)s1 36397436 ZLKZTIHRZAKGRJ-YTXTXJHMSA-N 222.313 2.831 0 40 BFAB Cc1cc(C)c(-c2n[nH]c(N)c2C)c(C)c1 36936125 FQWBPLIMJWCYIU-UHFFFAOYSA-N 215.300 2.893 0 40 BFAB Cc1ncsc1C(=O)NC1CCCCCC1 46565604 XAHSKZILYUHRNM-UHFFFAOYSA-N 238.356 2.904 0 40 BFAB Cc1ccccc1C(=O)NCCCn1cccc1 49028464 LTCLHXUTYKQHKQ-UHFFFAOYSA-N 242.322 2.617 0 40 BFAB Cc1ccccc1CN(C)Cc1ccno1 66560992 LFRQRDLKFMPLMG-UHFFFAOYSA-N 216.284 2.615 0 40 BFAB Cc1noc([C@@H](C)Oc2ccc(F)cc2)n1 69618043 NOKNZLOSMFKCDH-SSDOTTSWSA-N 222.219 2.657 0 40 BFAB COc1cccc(CN[C@H]2CC[C@@H](C)C2)c1 70761566 IDNIIWVAZCZVDD-YPMHNXCESA-N 219.328 2.973 0 40 BFAB c1ccc(Oc2cncc([C@H]3CCCN3)n2)cc1 72343762 XVXVRLSDPIZXLT-GFCCVEGCSA-N 241.294 2.693 0 40 BFAB C[C@H]1CCc2ccccc2N1C(=O)[C@H]1CCCO1 72495976 KUCSYKALFJGRFM-SMDDNHRTSA-N 245.322 2.533 0 40 BFAB O[C@@H](c1cccc(F)c1F)C(F)(F)F 82523118 FWGUMEVCNXPUBD-ZETCQYMHSA-N 212.117 2.561 0 40 BFAB CC1CC(COc2ccccc2C(=O)O)C1 85391446 NWFLBSZJNADBHA-UHFFFAOYSA-N 220.268 2.810 0 40 BFAB COc1ccc2c(c1)C[C@H](NCCCF)CC2 90522219 DHSTXHAHLRDNQH-CYBMUJFWSA-N 237.318 2.502 0 40 BFAB COc1c(Cl)ccc(C(C)=O)c1F 91252009 SSQUECJMKSQDHG-UHFFFAOYSA-N 202.612 2.690 0 40 BFAB CC(C)(C)OC(=O)N1CCCC[C@H]1CCCO 91297550 YSNHXIMXFKYGEZ-NSHDSACASA-N 243.347 2.549 0 40 BFAB CCC(O)(CC)CSc1ccccn1 96494486 QKOWVHFYCBQSNZ-UHFFFAOYSA-N 211.330 2.725 0 40 BFAB CN1CCN(Cc2cncs2)c2ccccc21 97236441 CYKDXSOOBVFVFX-UHFFFAOYSA-N 245.351 2.600 0 40 BFAB COc1ccc2c(c1)nc1n2[C@H](C)CCC1 226251644 XFOKWBXYSISEHB-SECBINFHSA-N 216.284 2.942 0 40 BFAB C[C@@H](c1ccccc1)N1CCN(C2CCC2)CC1 264952048 CAEISTJBZHGWQO-AWEZNQCLSA-N 244.382 2.918 0 40 BFAB O=C1N[C@@H](c2cccs2)Oc2ccccc21 32379 AGFNJEKZJADNQP-GFCCVEGCSA-N 231.276 2.569 0 40 BFAB Clc1snnc1CNc1ccccc1 1385413 OIUFTQYORJEYMV-UHFFFAOYSA-N 225.704 2.804 0 40 BFAB COc1ccc([C@@](C)(O)C(C)C)c(OC)c1 2034115 LNLATAQPCHWIOX-ZDUSSCGKSA-N 224.300 2.567 0 40 BFAB Cc1ccccc1COC(=O)C(F)(F)F 3848391 PPDNMMCMKYSNPB-UHFFFAOYSA-N 218.174 2.601 0 40 BFAB biogenic CCN(CC)C(=O)Cn1ccc2ccccc21 4676224 MBDSISHYDIYCBZ-UHFFFAOYSA-N 230.311 2.510 0 40 BFAB Cc1cc(C)cc(C(=O)NCc2ccco2)c1 4705273 YXPQIKVBXQRXOM-UHFFFAOYSA-N 229.279 2.826 0 40 BFAB O=C(O)CCCc1nc2cc(Cl)ccc2[nH]1 6445990 PUTVQEUMOTYCCR-UHFFFAOYSA-N 238.674 2.624 0 40 BFAB COc1ccc2c(c1C/C=C(\C)CO)OCCC2 7078870 ZKODFKNZYAMXQR-VZUCSPMQSA-N 248.322 2.501 0 40 BFAB C/C=C/C=C/C(=O)NCCc1ccc(F)cc1 7977239 JUDGPGHWWAGNBI-MQQKCMAXSA-N 233.286 2.617 0 40 BFAB O=C(NC1CC1)c1ccc(-c2ccccc2F)o1 8304096 YZACURFXQLGLOR-UHFFFAOYSA-N 245.253 2.978 0 40 BFAB Cc1ccc(N2CCCC[C@H]2C)c(N)c1 8702596 SKIXZIHSNVILJZ-LLVKDONJSA-N 204.317 2.956 0 40 BFAB CCc1c(C)[nH]c2cc(C(=O)O)ccc12 17194004 KKEXSVBEEGPAEK-UHFFFAOYSA-N 203.241 2.737 0 40 BFAB COc1cc(C(=O)Nc2ccncc2)ccc1C 17586036 BWCLKBAHPBHJML-UHFFFAOYSA-N 242.278 2.651 0 40 BFAB CCN1CCC(Nc2ccccc2)CC1 19879244 QJCRLBNVZQALIZ-UHFFFAOYSA-N 204.317 2.583 0 40 BFAB in-vitro COC(=O)CNc1ccc(Cl)c(Cl)c1 20048523 PTYVMTILBYVNQA-UHFFFAOYSA-N 234.082 2.578 0 40 BFAB c1cncc(CNCCCOC2CCCCC2)c1 20191380 IGAFWOGPBMLHSL-UHFFFAOYSA-N 248.370 2.911 0 40 BFAB COc1cc(C2(C(=O)O)CCCC2)ccc1C 20284358 BJEXAQNLMVNICS-UHFFFAOYSA-N 234.295 2.900 0 40 BFAB C[C@@H](c1cccc(Cl)c1)N1CCC(N)CC1 20521579 YNQJJCVFBJMULD-JTQLQIEISA-N 238.762 2.824 0 40 BFAB C=C(OCCCC)c1cc(C)oc(=O)c1 26896811 OHSMJJLGBRCKEI-UHFFFAOYSA-N 208.257 2.736 0 40 BFAB CC[C@H]1c2ccsc2CCN1C(C)=O 32781314 CDFRBNCHVUZCQI-JTQLQIEISA-N 209.314 2.604 0 40 BFAB Cc1cccc(C(=O)N(C)Cc2ccccc2)n1 32909040 OPKFOSWKJWUSET-UHFFFAOYSA-N 240.306 2.662 0 40 BFAB O=C1CCCc2nc(C(F)(F)F)ccc21 34638884 JVPZAYNWTHVFNT-UHFFFAOYSA-N 215.174 2.619 0 40 BFAB COc1ccc2c(c1)c(CN(C)C)c(C)n2C 34925346 NBIAXUGKHLQTLS-UHFFFAOYSA-N 232.327 2.557 0 40 BFAB Cc1ccccc1N/C=C1\SC(=O)N(C)C1=O 36636151 JEVARPGDVKIZIB-YFHOEESVSA-N 248.307 2.574 0 40 BFAB CN[C@@]1(c2cccc(Cl)c2)CCCCC1=O 37246804 NDVCZDFFOQKAGV-CYBMUJFWSA-N 237.730 2.898 0 40 BFAB in-vitro CC(C)=CC(=O)N[C@@H](C)c1cccs1 40459862 MPLOQPUUHGIEMN-VIFPVBQESA-N 209.314 2.892 0 40 BFAB Clc1ccc(O[C@H]2CCNC2)c2ncccc12 42775743 PFLGXTMORSKNJV-VIFPVBQESA-N 248.713 2.629 0 40 BFAB Cc1cc(NC(=O)CC(C)C)n(C(C)(C)C)n1 47228239 TXCVGFVMQZECLE-UHFFFAOYSA-N 237.347 2.931 0 40 BFAB Cn1ncc2c1N=C(O)C[C@@H]2c1ccccc1 49549888 BCZSIZAIFJJXCU-SNVBAGLBSA-N 227.267 2.544 0 40 BFAB COCCN1CCC[C@@H]1c1ccc(F)cc1 55506752 ZBGUJEWDMMBMMV-CYBMUJFWSA-N 223.291 2.609 0 40 BFAB Cc1ccc([C@H](O)c2ccco2)cc1F 68979230 GXWDPKHSPKMVCD-LBPRGKRZSA-N 206.216 2.809 0 40 BFAB COc1ccc(Cl)nc1Br 71863930 FHKDVEORVOKAON-UHFFFAOYSA-N 222.469 2.506 0 40 BFAB CNC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl 71895986 QSSKDZHXZOHFBL-HTQZYQBOSA-N 244.121 2.843 0 40 BFAB CCN1CCC[C@@H]1c1ccc(S)nc1C 72218371 XFJHHXIKMDUBLC-LLVKDONJSA-N 222.357 2.836 0 40 BFAB Cc1cc(Nc2ccccc2)ncc1CCO 72223329 XEFQRUPEOMZHAW-UHFFFAOYSA-N 228.295 2.668 0 40 BFAB CN1CCCC[C@H]1c1cc(C(F)(F)F)[nH]n1 72381241 YMDGGBACZFAWNI-QMMMGPOBSA-N 233.237 2.585 0 40 BFAB Cc1cnc(CN2CCC[C@@H]2C(C)(C)C)o1 75716442 DMSBRNXDGULAMG-LLVKDONJSA-N 222.332 2.994 0 40 BFAB OCCc1ccc(Br)cc1Cl 77284804 WAUUNSIHRYKSEY-UHFFFAOYSA-N 235.508 2.637 0 40 BFAB in-vitro Cc1cnc(C)c(NCc2ccc(F)cc2)n1 78429867 POWJTOJEWALHBG-UHFFFAOYSA-N 231.274 2.845 0 40 BFAB COc1cc(OC)cc(C(=O)CC(C)C)c1 84496773 GISQKWYSJCVLSE-UHFFFAOYSA-N 222.284 2.933 0 40 BFAB CNC(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 89385867 MYUSZFSTDNYXDC-DTWKUNHWSA-N 243.228 2.555 0 40 BFAB CCN(C)[C@@H]1CCCc2nc(C)sc21 89960841 UTPAMPCZUPJVAO-SNVBAGLBSA-N 210.346 2.781 0 40 BFAB COC(=O)c1ccc(Cl)cc1OC(F)F 91692987 INPJFZSWLFHSDV-UHFFFAOYSA-N 236.601 2.728 0 40 BFAB C[C@@H]1CC(C)(C)CC[C@@H]1NCc1nccn1C 93962616 FHRHXLUOAAJDBM-NEPJUHHUSA-N 235.375 2.725 0 40 BFAB Cc1cccc([C@H](O)CCC2OCCCO2)c1 95728580 OSKLNMWOAKCXFK-CYBMUJFWSA-N 236.311 2.572 0 40 BFAB CC(C)CCOc1cc(CCO)cc(F)c1F 95732009 IJJCWWKDVLGKDO-UHFFFAOYSA-N 244.281 2.925 0 40 BFAB CC(C)(C)C(=O)OCCCc1cccnc1 97044178 BROOOMZPMGLGED-UHFFFAOYSA-N 221.300 2.604 0 40 BFAB C[C@H]1O[C@H](C)[C@H]2Cc3ccccc3[C@@H]2O1 101100004 SHWFPOIJJLMZKA-DTVLGXAZSA-N 204.269 2.681 0 40 BFAB CC[C@H](C)NC(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 103479235 UIDQXVYENCEMOQ-VLJOUNFMSA-N 238.375 2.909 0 40 BFAB C[Si](C)(C)c1ccc(Cl)nc1Cl 196034354 DXLJNJLGCAFIKI-UHFFFAOYSA-N 220.175 2.934 0 40 BFAB CC(C)(C)[C@@H]1C[C@]2(C)C(=O)CCCC[C@@H]2N1 212418260 KGVLKUHCPPESDO-MJVIPROJSA-N 223.360 2.912 0 40 BFAB biogenic Cc1cccc(N[C@@H]2CCC[C@@H]2N)c1C 218880830 ZGIGEZMFXQNZOB-WCQYABFASA-N 204.317 2.595 0 40 BFAB CCc1ccccc1N(CC)[C@@H](C)C(=O)O 224984830 VREMHUMXTAYFCN-JTQLQIEISA-N 221.300 2.548 0 40 BFAB Fc1cccnc1N1CCC2(CCC2)C1 268201561 MTPIVYWJRGJHBQ-UHFFFAOYSA-N 206.264 2.601 0 40 BFAB CC[C@]1(C)Cc2c(sc3ncnc(N)c23)CO1 554198 XXYCCFUVLDEDFW-GFCCVEGCSA-N 249.339 2.515 0 40 BFAB O=C(O)[C@@H]1CCC[C@H]1C(=O)c1cccc(F)c1 2574426 YWYRHYHQPXIURO-GHMZBOCLSA-N 236.242 2.509 0 40 BFAB Cc1cc(C)cc(NC(=O)C(F)(F)F)c1 3094871 MWOCTDLHKWELSM-UHFFFAOYSA-N 217.190 2.804 0 40 BFAB CC(C)(C)C1=NN=C2c3ccccc3C(=O)[C@@H]21 4428312 RAFCLOURPITYQX-SNVBAGLBSA-N 226.279 2.704 0 40 BFAB COCCNc1nnc(-c2ccc(C)cc2)s1 4993917 OSVBHWTVLLTMAF-UHFFFAOYSA-N 249.339 2.572 0 40 BFAB Cc1ccc(O)c(C(=O)CCCCC(=O)O)c1 5542030 QUOOKWSRHNXGGK-UHFFFAOYSA-N 236.267 2.528 0 40 BFAB C[C@H]1C[C@@H](N)CC[C@H]1C[C@H]1CC[C@@H](N)C[C@@H]1C 6795770 NTGJOYPFNABNES-CTTWBBHYSA-N 238.419 2.904 0 40 BFAB Cc1cc(F)ccc1NC(=O)[C@H]1C[C@H]1C 7751098 SWODGBCPTQQURE-XCBNKYQSSA-N 207.248 2.729 0 40 BFAB OCc1ccc(Sc2ccccc2)o1 8727844 CMSKXPBCALRZKH-UHFFFAOYSA-N 206.266 2.923 0 40 BFAB Cc1cc(C)cc(NC(=O)[C@@H](C)n2cccn2)c1 12875843 UBMQXCMXASKVQQ-GFCCVEGCSA-N 243.310 2.700 0 40 BFAB CC[C@@H](C)NC(=O)N[C@@H]1CCCC[C@@H]1C 13745668 NZTAKZCQLDQXAZ-HBNTYKKESA-N 212.337 2.663 0 40 BFAB Cc1ccc(OC[C@H]2CCCNC2)c(C)c1 14631181 YPSATXYLWWLTOL-ZDUSSCGKSA-N 219.328 2.682 0 40 BFAB O[C@@H](C[C@@H](O)c1ccccc1)c1ccccc1 15121972 XHHXJXGIYFQFOQ-GASCZTMLSA-N 228.291 2.844 0 40 BFAB biogenic,in-vitro C[C@@H]1CCCCN1CCCNC1CCCC1 19912906 RIISKPJSWRWGHM-CYBMUJFWSA-N 224.392 2.783 0 40 BFAB CC(C)NC(=O)CSCc1ccc(F)cc1 20482850 PURVLDBJBREGHK-UHFFFAOYSA-N 241.331 2.584 0 40 BFAB O=C(c1cccnc1)N1CCC[C@H]2CCCC[C@H]21 32819488 CGAJISHBFSDDEQ-TZMCWYRMSA-N 244.338 2.876 0 40 BFAB COc1ccc(CCC(=O)C(F)(F)F)cc1 34558590 JZVUENFNGOTIJJ-UHFFFAOYSA-N 232.201 2.759 0 40 BFAB OCc1c(OC(F)F)ccc2ccccc12 35119719 QKKFOIJXDDMAIM-UHFFFAOYSA-N 224.206 2.934 0 40 BFAB in-vitro CC(C)NC1CCN(CCc2ccccc2)CC1 37515568 QVDICKRPZRCVCR-UHFFFAOYSA-N 246.398 2.692 0 40 BFAB Clc1ccc(CCn2ccnc2)cc1 38524069 MOYFWXULYXUBOS-UHFFFAOYSA-N 206.676 2.779 0 40 BFAB in-vivo Fc1ccc(SC[C@@H]2CCCN2)cc1 43497121 KGWOVBHENOLJKN-JTQLQIEISA-N 211.305 2.670 0 40 BFAB c1ccc(CSC2CCNCC2)cc1 43501244 CQPHEDUWPACYII-UHFFFAOYSA-N 207.342 2.672 0 40 BFAB c1ccc(CN2CCCC[C@H]2CNC2CC2)cc1 53652029 NWFGATQHUHNXNZ-INIZCTEOSA-N 244.382 2.793 0 40 BFAB CCc1cccc(NC(=O)c2cc(C)n[nH]2)c1 54058027 HFWBRSLSTWRIOU-UHFFFAOYSA-N 229.283 2.533 0 40 BFAB O=c1ccc2ccc(Cl)c(Cl)c2[nH]1 70054931 DIEDZHYTEWMTDR-UHFFFAOYSA-N 214.051 2.835 0 40 BFAB Cc1cc([C@@H](N)c2ccccc2)cnc1S 72222750 UIHKFRSIWUQTAG-LBPRGKRZSA-N 230.336 2.727 0 40 BFAB Cc1c(OCC(=O)O)ccc2ccccc12 72226989 WTAUDMMLKUAWRK-UHFFFAOYSA-N 216.236 2.612 0 40 BFAB Oc1c(Cl)cnc(Br)c1Cl 79006620 IRBADEKWPZAVNW-UHFFFAOYSA-N 242.887 2.857 0 40 BFAB C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCS1 82337155 PMOZJGGKZVTQIS-MFKMUULPSA-N 247.363 2.860 0 40 BFAB O=C(O)c1nnc(-c2ccc(Cl)cc2)s1 83339412 DBKAYKXGCWPERS-UHFFFAOYSA-N 240.671 2.557 0 40 BFAB CNC(=O)[C@@H](C)c1ccc2ccccc2c1 84580792 DZJZGBTVJJCRCX-JTQLQIEISA-N 213.280 2.689 0 40 BFAB C[C@@H]1CCCCN1Cc1ccc(C=O)cc1 95738618 HROYHAJNIGCHGG-GFCCVEGCSA-N 217.312 2.874 0 40 BFAB NC1(c2cc(F)cc(C(F)(F)F)c2)CC1 95942527 XHXNGZBBSMZQII-UHFFFAOYSA-N 219.181 2.792 0 40 BFAB CC(C)=C[C@@H]1[C@H](C(=O)NCc2ccno2)C1(C)C 95992919 WFKGXPUXZKGCBX-VXGBXAGGSA-N 248.326 2.529 0 40 BFAB CC(C)(C)[C@H](O)CNc1ccncc1Cl 96454012 ZYHSGCVXUNVGMM-SNVBAGLBSA-N 228.723 2.554 0 40 BFAB COc1cc([C@@](C)(O)C2CC2)cc(F)c1F 96543352 KADBKOALHQRUQH-LBPRGKRZSA-N 228.238 2.591 0 40 BFAB CN1C(=O)C[C@@H]2c3ccccc3O[C@@]13CCC[C@H]23 100218223 WCHBGJWZFJETEI-LALPHHSUSA-N 243.306 2.521 0 40 BFAB CCC[C@H](NN)c1ccc(Br)cc1 161796145 NPWHWFRUUHAOFD-JTQLQIEISA-N 243.148 2.754 0 40 BFAB CC(=O)N1CCc2cc(-c3ccncc3)ccc21 166771157 ZBSYUEACFNTYHY-UHFFFAOYSA-N 238.290 2.658 0 40 BFAB Cc1occc1[S@](=O)Cc1ccccc1 189657339 NUJQLQKXWXWBHM-OAHLLOKOSA-N 220.293 2.896 0 40 BFAB CCNCc1cccn1-c1ccccc1F 223683155 XBZPJMUIGLNTMA-UHFFFAOYSA-N 218.275 2.726 0 40 BFAB C[C@H](Oc1ccc(Br)cc1)[C@@H]1CO1 256050122 CTNKYAWRIWSYGI-XVKPBYJWSA-N 243.100 2.615 0 40 BFAB CC1(C)CC(CNC(=O)c2ccc(F)cc2)C1 548736192 MYIRCQGNLWQHEI-UHFFFAOYSA-N 235.302 2.992 0 40 BFAB C[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 29758 JOEUOTUBSKBWPN-SNVBAGLBSA-N 221.275 2.698 0 40 BFAB C[C@H]1CC(=O)Nc2cc(C(F)(F)F)ccc2N1 1584307 AJZJMHJZZHQCMP-LURJTMIESA-N 244.216 2.848 0 40 BFAB CCCO[C@H](CN(C)C)C(Cl)(Cl)Cl 2031765 WIDGBWIDXRAVLR-SSDOTTSWSA-N 248.581 2.713 0 40 BFAB NCCSCc1cccc(C(F)(F)F)c1 2383492 OJIUFLQIZHYNTC-UHFFFAOYSA-N 235.274 2.897 0 40 BFAB O=S(=O)(O)c1ccc2c(Cl)cccc2c1 2525874 HLTFWAMWYXUXEO-UHFFFAOYSA-N 242.683 2.740 0 40 BFAB in-vitro O[C@H](c1ccoc1)C(F)(F)C(F)(F)F 2528678 RIYFTZCOJUYTDU-RXMQYKEDSA-N 216.105 2.511 0 40 BFAB NCCOc1ccccc1OCc1ccccc1 2540748 IYVSABAGVFWSNU-UHFFFAOYSA-N 243.306 2.603 0 40 BFAB in-vitro COc1ccc(C(=O)c2ccc(F)cc2)c(O)c1 2574367 HFSXVVWNCWOVJR-UHFFFAOYSA-N 246.237 2.771 0 40 BFAB Cc1cc(C)cc(NC(=O)c2ccccn2)c1 3517692 UIMFXMRZPJGDHP-UHFFFAOYSA-N 226.279 2.951 0 40 BFAB FC1(F)Oc2ccccc2OC1(F)F 4290053 QLCDBPBUHSKXHY-UHFFFAOYSA-N 208.110 2.643 0 40 BFAB CCC[C@@H](Nc1cccc(C)c1C)C(=O)O 8702811 CBSDSJCCXYWVMN-GFCCVEGCSA-N 221.300 2.969 0 40 BFAB Cc1nn(-c2ccccn2)c2c1[C@H]1[C@@H](C2)C1(C)C 12341492 RIMGAEPYRPNVBQ-QMTHXVAHSA-N 239.322 2.871 0 40 BFAB C[C@H]1C[C@H]1C(=O)Nc1ccnn1C1CCCCC1 12890360 WXFANLOVBLDDNV-CMPLNLGQSA-N 247.342 2.983 0 40 BFAB O=C(NC1CCCC1)[C@H]1Cc2ccccc2S1 14267188 WOGHONOXLYQEKZ-CYBMUJFWSA-N 247.363 2.762 0 40 BFAB C/C=C\Cc1ccc(OCCOC(=O)NC)cc1 17289452 HKCTUNOKANLULH-ARJAWSKDSA-N 249.310 2.540 0 40 BFAB C[C@@H](NN)c1ccc(OCc2ccccc2)cc1 19279166 ODPOQXNKPWYSRR-GFCCVEGCSA-N 242.322 2.790 0 40 BFAB Nc1ccc2[nH]c(-c3cccc(F)c3)nc2c1 19440874 LJPZRDOOEROXQP-UHFFFAOYSA-N 227.242 2.951 0 40 BFAB in-vitro COc1ccccc1NCc1ccncc1 19901789 BVOUCZAOUVLIGM-UHFFFAOYSA-N 214.268 2.702 0 40 BFAB CCCOc1ccc(/C=C/C(=O)OC)cc1 20133927 DGZMNLPOKCWUQY-RMKNXTFCSA-N 220.268 2.662 0 40 BFAB CC(C)(C)OC(=O)N1CCCc2cccnc21 36467876 HFYKFRBQZCCJRD-UHFFFAOYSA-N 234.299 2.769 0 40 BFAB O=C(O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 38976465 UKRIUIRBTVRYAH-DTWKUNHWSA-N 230.185 2.894 0 40 BFAB CC(C)Oc1ccc(F)c(C=O)c1F 39115517 CXAZBZRQVDJGOW-UHFFFAOYSA-N 200.184 2.565 0 40 BFAB CCCC(=O)N(C)[C@@H]1CCc2ccccc21 40489737 OVBYRHMYOGWAKO-CYBMUJFWSA-N 217.312 2.932 0 40 BFAB NCCc1c(C(F)(F)F)ccc(Cl)c1F 44249973 SJXFBKYBZVREQD-UHFFFAOYSA-N 241.615 2.999 0 40 BFAB CC(C)(C)c1ccc(-c2cnn(CCO)c2)cc1 49831968 SQYAGTYSTFUTGS-UHFFFAOYSA-N 244.338 2.840 0 40 BFAB CC(=O)[C@H]1C[C@H](c2cccc(Cl)c2)OC1=O 57529501 FARKQLIPCMMMSL-GHMZBOCLSA-N 238.670 2.533 0 40 BFAB OC[C@H]1C[C@H]1c1ccccc1Br 62720227 ZPRZKFTVHGLWGC-VXNVDRBHSA-N 227.101 2.545 0 40 BFAB C[C@H](CC(C)(C)NC(=O)O)c1ccc(O)cc1 71621722 ANSMHXIZDOWIBA-SECBINFHSA-N 237.299 2.932 0 40 BFAB CSc1nc2ccc(C(=O)O)cc2s1 72233376 KRBWNLSVRNILHF-UHFFFAOYSA-N 225.294 2.716 0 40 BFAB c1ccc(CN(C[C@H]2CCCCN2)C2CC2)cc1 79438010 XKZOLVAAKWLWKB-OAHLLOKOSA-N 244.382 2.793 0 40 BFAB O=C(O)C1(c2ccc(Cl)c(F)c2)CCC1 83070023 FKJNQERDZQULBU-UHFFFAOYSA-N 228.650 2.985 0 40 BFAB Oc1cccc(CNc2ccc(F)cn2)c1 83349235 HBGFPXUAOUMQAY-UHFFFAOYSA-N 218.231 2.538 0 40 BFAB O=C(O)C1(COc2ccc(Cl)cc2)CCC1 85390462 MDPMTHFQOXQGKF-UHFFFAOYSA-N 240.686 2.974 0 40 BFAB CC(=O)N(C)c1ccc(OC(=O)CC(C)C)cc1 96431553 BPSGCECDANAVKA-UHFFFAOYSA-N 249.310 2.621 0 40 BFAB C[C@@H]1CCCC[C@@H]1CNC[C@H](O)c1ccncc1 96502322 UYVVXTRABFLPBP-YUELXQCFSA-N 248.370 2.531 0 40 BFAB CO[C@@H](C)c1nc(Cl)cc([C@@H](C)OC)n1 96529038 GYWBORBQMUDFPE-RQJHMYQMSA-N 230.695 2.545 0 40 BFAB C[C@@H](NC(=O)C(C)(C)C)[C@H]1C[C@@H]2CC[C@@H]1C2 100846405 OQNMQGCHGSHCCA-DDHJBXDOSA-N 223.360 2.973 0 40 BFAB CN1CCC[C@H]1CCCNCc1ccccc1 218326160 XAPPWPXIGZUGFP-OAHLLOKOSA-N 232.371 2.651 0 40 BFAB CNCCCNc1ccnc2c(C)cc(C)cc12 222676836 JUMDPLQRBLPHPA-UHFFFAOYSA-N 243.354 2.873 0 40 BFAB CC[C@@H](C(=O)O)N(CC)c1cc(C)cc(C)c1 224984426 QFPLKIVXIUJAKZ-ZDUSSCGKSA-N 235.327 2.993 0 40 BFAB Cn1nc(C2CC2)cc1NCc1cccs1 256051560 JQCLNVPLUSKDTL-UHFFFAOYSA-N 233.340 2.971 0 40 BFAB CSCCCCCCNC1CSC1 308311120 RRMJGZSKEXWSCY-UHFFFAOYSA-N 219.419 2.615 0 40 BFAB CC(C)c1coc(NC(=O)[C@H]2CCCS2)n1 637635033 ASYOSOVXIROZQD-SECBINFHSA-N 240.328 2.632 0 40 BFAB Cc1cccc(Nc2cc(C)nc(C)n2)n1 888107050 RUKTVRQECPYLJW-UHFFFAOYSA-N 214.272 2.540 0 40 BFAB Cc1ccc2nc(C)cc(NCCN(C)C)c2c1 120816 GLYWBGGSWFLAOF-UHFFFAOYSA-N 243.354 2.825 0 40 BFAB CC(=O)Nc1ccc2c(c1)CN(C(C)(C)C)CO2 542501 KFIGDQHRISWTCD-UHFFFAOYSA-N 248.326 2.595 0 40 BFAB Nc1cccc(CCc2nc3ccccc3[nH]2)c1 801192 KKOQKLYAXIRIHT-UHFFFAOYSA-N 237.306 2.930 0 40 BFAB CC(C)N(C(C)C)P1OC[C@H](C)O1 1560421 GSMHVHZJGLRSDI-LLTODGECSA-N 205.238 2.767 0 40 BFAB CC(=O)Oc1ccc2c3c(cccc13)CC2 1727944 XTUDZNCYMAXCDI-UHFFFAOYSA-N 212.248 2.864 0 40 BFAB CCc1cccc(CC)c1OCCN(C)C 1734053 PHNVQGZKUXFNAQ-UHFFFAOYSA-N 221.344 2.752 0 40 BFAB Cc1cc(Br)n(-c2ccccc2)n1 3164645 CBUGJUKHYWJICM-UHFFFAOYSA-N 237.100 2.943 0 40 BFAB O=C(/C=C/c1ccco1)NCc1cccs1 3557883 DREJKXAQAAXWID-AATRIKPKSA-N 233.292 2.671 0 40 BFAB COCCc1ccc(-c2csc(N)n2)cc1 3888649 JPWSVAAHDJPCKU-UHFFFAOYSA-N 234.324 2.581 0 40 BFAB CC(C)NCC[C@@H](O)c1cc2ccccc2o1 3954167 HTVNMYNZIULXPX-GFCCVEGCSA-N 233.311 2.854 0 40 BFAB in-vitro N=C(N)SC12CC3CC(CC(C3)C1)C2 4070312 RBDWZEUGWWHIAF-UHFFFAOYSA-N 210.346 2.582 0 40 BFAB C/C(=C\c1ccccc1)C(=O)Nc1nncs1 4725015 KFILQVGYIBMYBX-VQHVLOKHSA-N 245.307 2.580 0 40 BFAB COc1ccc2c(c1)[nH]c1c(Cl)ncnc12 5911270 RUDFUWOBDUSDDG-UHFFFAOYSA-N 233.658 2.773 0 40 BFAB Cc1cc(C)cc(O[C@H](C)C(=O)NCC(C)C)c1 8050898 UXWGLKZZKIBLBW-CYBMUJFWSA-N 249.354 2.843 0 40 BFAB Cn1cc(C(=O)NC2CCCC2)c2ccccc21 8076326 DBFDIXNZOKVDBT-UHFFFAOYSA-N 242.322 2.851 0 40 BFAB Cc1ccc(C)c(NCC(C)(C)C(=O)O)c1 8702843 BHGVLQFPVAPCLB-UHFFFAOYSA-N 221.300 2.826 0 40 BFAB Cc1csc(-c2ccc(CN)cc2)n1 11851477 OQNURMQVBNZKLQ-UHFFFAOYSA-N 204.298 2.577 0 40 BFAB CC[C@@H](C)Nc1c(N)c(=O)oc2ccccc12 18061799 CZSJMKVVNKVDAI-MRVPVSSYSA-N 232.283 2.586 0 40 BFAB CCCCCC(=O)Nc1cc(N)ccc1F 19736635 ZWLJIXMVXOOHSC-UHFFFAOYSA-N 224.279 2.927 0 40 BFAB c1cc2c(cc1CN1CCCC1)CCCN2 20247927 CUPZZYBYKGACPN-UHFFFAOYSA-N 216.328 2.641 0 40 BFAB in-vitro Cc1cc(OCCNC2CC2)ccc1Cl 20524859 ACBJRBBMULHMJM-UHFFFAOYSA-N 225.719 2.779 0 40 BFAB O=C(O)c1cc(Cl)nc2nc(Cl)ccc12 26459685 KVZFNWNZADDDPV-UHFFFAOYSA-N 243.049 2.635 0 40 BFAB O=C(C[C@H]1C=CCC1)NCCc1cccs1 36392815 PLYSWNLICXCZBH-NSHDSACASA-N 235.352 2.763 0 40 BFAB Cc1nc(Nc2ccccc2)nc(C)c1O 39109653 YZWHZRWOWLGVQA-UHFFFAOYSA-N 215.256 2.543 0 40 BFAB CCOc1ccccc1CCC(=O)N1CCCC1 44869067 OMQCNCSZWAZUBR-UHFFFAOYSA-N 247.338 2.640 0 40 BFAB CC[C@H]1CCCN(C(=O)CC[C@@H]2CCCO2)C1 48199731 TXHYQOIEZWGOTE-STQMWFEESA-N 239.359 2.594 0 40 BFAB Cc1cc(F)ccc1[C@@H](O)C(F)(F)F 50580866 MJEYAEAYUVJNPN-MRVPVSSYSA-N 208.154 2.730 0 40 BFAB Cc1cc(NC(=O)c2ccc(F)c(F)c2)ccn1 71900262 RJFJRNHGZDQAEC-UHFFFAOYSA-N 248.232 2.921 0 40 BFAB Cc1csc(COC(=O)[C@H]2CC=CCC2)n1 78949356 HGTCZOLCEHMNHD-JTQLQIEISA-N 237.324 2.851 0 40 BFAB CCCc1nc2ccc(C(=O)OCC)cc2o1 95215832 QDUIBQFUWWFOOT-UHFFFAOYSA-N 233.267 2.957 0 40 BFAB C[C@H]1CCCN(Cc2ccc(C=O)cc2F)C1 95738672 WWCPNWXQDYXWIN-NSHDSACASA-N 235.302 2.870 0 40 BFAB CC(C)N(C(=O)[C@@H]1C[C@H]1c1cccnc1)C1CC1 95957235 GBCHQCSAPQYIKD-UONOGXRCSA-N 244.338 2.585 0 40 BFAB c1cc(C[C@@H]2NCCc3sccc32)ccn1 96526604 NGJSQAMHFYLJCY-LBPRGKRZSA-N 230.336 2.573 0 40 BFAB N=[S@@](=O)(c1ccc(F)cc1)C(F)(F)F 100241788 ZHIJDUORJHKUMW-CQSZACIVSA-N 227.182 2.751 0 40 BFAB O=C(c1ccc(Cl)cc1F)C(F)F 157639301 IMYMHURFVMXLEW-UHFFFAOYSA-N 208.566 2.927 0 40 BFAB C/C(=C\c1cnn(C(C)C)c1)c1cnccn1 187649318 GJTFKYTXEMTTTA-IZZDOVSWSA-N 228.299 2.815 0 40 BFAB CC(=O)O/C(=C/C(F)(F)F)C(F)(F)F 199442049 AKLLQGZSSPIBMP-DUXPYHPUSA-N 222.084 2.558 0 40 BFAB O=C1CCCC[C@H]2NC[C@@H](c3ccccc3)[C@H]12 206489990 FBODYRRHMNRLID-GUTXKFCHSA-N 229.323 2.501 0 40 BFAB O=C(c1cccs1)[C@H]1CCCC[C@H]1C(=O)O 1081362 OHEBPHKWGCMUNK-DTWKUNHWSA-N 238.308 2.822 0 40 BFAB O[C@H](c1c[nH]c2ccccc12)C(F)(F)F 1394756 OJLPWVOWEHJINA-SECBINFHSA-N 215.174 2.764 0 40 BFAB in-vitro COc1ccccc1[C@@H]1OCC[C@@H](C)O1 1677477 JIONPJZAVXCSGI-BXKDBHETSA-N 208.257 2.519 0 40 BFAB O=C1O[C@@]2(Cc3ccccc31)Cc1ccccc12 3848029 IMXKGJAXVTVMBK-INIZCTEOSA-N 236.270 2.851 0 40 BFAB biogenic Nc1ccc2c(cnn2Cc2cccc(F)c2)c1 4243147 BTNPJMNKYNWUPD-UHFFFAOYSA-N 241.269 2.806 0 40 BFAB O=C1N=NC(=O)N1c1ccc(Cl)cc1 4253693 BAFZBCBPRFDYDH-UHFFFAOYSA-N 209.592 2.852 0 40 BFAB O=C(CCc1ccccc1)N[C@@H]1C[C@H]2CC[C@@H]1C2 4993898 CYYPRIKUGOOUCN-RRFJBIMHSA-N 243.350 2.924 0 40 BFAB CCCC[C@@H](CC)C(=O)N1C[C@@H](C)O[C@H](C)C1 5591035 MVHPIEABOOAVTC-JHJVBQTASA-N 241.375 2.839 0 40 BFAB COC(=O)c1cc(C2CC2)nn1-c1ccccc1 8428153 LPUOALQGDBWIGZ-UHFFFAOYSA-N 242.278 2.536 0 40 BFAB CC(C)[C@@H](/C=C\[C@@H](C)O)CC[C@@H](C)CO 17187157 KMASBAKBQVORTA-FLLCHKDVSA-N 214.349 2.604 0 40 BFAB CCCC(=O)Nc1ccc(Cl)c(C(=O)O)c1 20136507 IGOPFOQPYREODV-UHFFFAOYSA-N 241.674 2.777 0 40 BFAB CC(C)(C)CC(=O)Nc1ccc(F)c(N)c1 20157422 RIPYAMTWSSKINE-UHFFFAOYSA-N 224.279 2.783 0 40 BFAB NCC1(c2c(Cl)cccc2Cl)CC1 20429485 GPNFTTZUSMZATP-UHFFFAOYSA-N 216.111 2.984 0 40 BFAB CCCC(=O)Nc1ccc2oc(C)nc2c1 29796079 ZSMPGFYODXIMBT-UHFFFAOYSA-N 218.256 2.875 0 40 BFAB CC(=O)N[C@]1(C)CC[C@H]2C[C@@H]1C(C)=NC2(C)C 31829901 AKRBICRIVVVNDO-OUCADQQQSA-N 236.359 2.551 0 40 BFAB C[C@@H](C(=O)O)c1ccc(C(F)(F)F)cc1 38417315 RSLAPCSAZMQDSO-ZCFIWIBFSA-N 218.174 2.894 0 40 BFAB in-vitro c1csc([C@H]2CNCc3ccccc32)c1 39040007 OHQUZZREXAMHET-LBPRGKRZSA-N 215.321 2.983 0 40 BFAB O=C(c1ccc(F)cc1F)C(F)(F)Cl 59452313 XVIXGTZBWBTWPB-UHFFFAOYSA-N 226.556 2.979 0 40 BFAB CC(C)C(=O)N[C@@H]1CCCOc2ccccc21 69490901 QCCLKEVSGSXKKM-GFCCVEGCSA-N 233.311 2.673 0 40 BFAB CCN1CCC[C@@H]1c1ccc(NC)nc1C 72219091 BUDQDZGCLPKJLJ-GFCCVEGCSA-N 219.332 2.589 0 40 BFAB CCN(C)c1ccc([C@@H](O)c2ccccc2)cn1 72225242 NNHUOAAQTQRFQQ-HNNXBMFYSA-N 242.322 2.619 0 40 BFAB CC[C@H](C)n1ccc(Br)n1 72339558 PLQLISBTWFOGIU-LURJTMIESA-N 203.083 2.617 0 40 BFAB O=C(O)c1[nH]ccc1-c1cccc(F)c1 74204010 RONHHEYKZBSTEH-UHFFFAOYSA-N 205.188 2.519 0 40 BFAB NCCNc1ccc(OCc2ccccc2)cc1 84951728 LQHSBFWGRXNLHF-UHFFFAOYSA-N 242.322 2.636 0 40 BFAB CCOc1ccc(-c2csc(NN)n2)c(C)c1 85397346 KJRSBXUPPBSTIM-UHFFFAOYSA-N 249.339 2.803 0 40 BFAB CC(C)NCc1cccc(OCCF)c1 87774261 DAMJDLZAAGKBBF-UHFFFAOYSA-N 211.280 2.533 0 40 BFAB O[C@@H](c1cc(F)cc(Cl)c1)c1ccccn1 95727360 GYUSEFFNZJHHGW-LBPRGKRZSA-N 237.661 2.956 0 40 BFAB O=C(Nc1cc(F)ccc1O)[C@H]1CC=CCC1 98018454 LASIGHBRVMIVPI-VIFPVBQESA-N 235.258 2.826 0 40 BFAB N[C@H]1CC[C@H](NCc2cccc(Cl)c2)CC1 100173863 IWBNDAIERBJJMR-BETUJISGSA-N 238.762 2.700 0 40 BFAB CCN[C@H](CC)c1cccc(OC)c1OC 147002266 GGSGZHSZKMZPPU-LLVKDONJSA-N 223.316 2.764 0 40 BFAB COCCN[C@H](C)c1cccc(OC(C)C)c1 179667350 ATRQLLBIDSEDMF-GFCCVEGCSA-N 237.343 2.771 0 40 BFAB Cc1cc(Cc2ccc(C(C)C)cc2)c(=O)[nH]n1 199780117 TUWNIRVYIOUYPS-UHFFFAOYSA-N 242.322 2.793 0 40 BFAB CCO[C@H](CCO)c1nc2ccccc2s1 217610862 WGZBCYXXMSQYNF-SNVBAGLBSA-N 237.324 2.756 0 40 BFAB Cc1cc2c(O)ncc(Br)c2o1 218706274 WGGRGXSIIMBVBY-UHFFFAOYSA-N 228.045 2.604 0 40 BFAB OCC12CC(c3nc4ccccc4s3)(C1)C2 258840125 YZTUJTVIPXRRSB-UHFFFAOYSA-N 231.320 2.710 0 40 BFAB O=C(OCc1ccccc1)N1C[C@H]2C[C@H]1CS2 307110065 LGVRWQVUMBVIIT-NWDGAFQWSA-N 249.335 2.513 0 40 BFAB Cc1cccc(Nc2ncnc(C)c2C)n1 888106942 GFGXDVLHEFHILR-UHFFFAOYSA-N 214.272 2.540 0 40 BFAB O=C1c2ccccc2-c2nc3ccccc3n21 41118 SDLWGEXLAMKZHI-UHFFFAOYSA-N 220.231 2.705 0 40 BFAB C[C@@H]1Cn2c(nnc2-c2ccc(F)cc2)S1 109257 QWTNNXJLKHZHHG-SSDOTTSWSA-N 235.287 2.578 0 40 BFAB c1ccc2c(Nc3nnns3)cccc2c1 401269 NRPSYMDXSNYVNG-UHFFFAOYSA-N 228.280 2.830 0 40 BFAB in-vitro CCCn1c(C)nc2c(N)cc(C)cc21 1581817 NHFYARHMHKCKML-UHFFFAOYSA-N 203.289 2.645 0 40 BFAB CCNC(=O)Nc1ccc(N(CC)CC)cc1 1640212 GDJHVLWUGVDUHJ-UHFFFAOYSA-N 235.331 2.674 0 40 BFAB S=c1ncn(C2CCCC2)c(=S)[nH]1 1707931 ATPROIVQRMVAEM-UHFFFAOYSA-N 213.331 2.785 0 40 BFAB Cc1csc2c(OS(C)(=O)=O)cccc12 2022925 ZCPRWDNAAFEOMU-UHFFFAOYSA-N 242.321 2.548 0 40 BFAB O=C1OCCC1(c1ccccc1)c1ccccc1 2563990 IRQJWIUKHLVISG-UHFFFAOYSA-N 238.286 2.920 0 40 BFAB in-vitro C[C@H]1CCCC[C@@H]1NC1=NCCCS1 3259318 KHBQUQCRMLRFHV-UWVGGRQHSA-N 212.362 2.648 0 40 BFAB CCC[n+]1ccccc1[C@@H](F)C(F)(F)F 3296929 HDVVKOLBOBBPME-SECBINFHSA-N 222.205 2.957 0 40 BFAB Cc1ccc(CC(=O)Nc2nccs2)cc1C 3549613 QVSPTTXPVZTFNZ-UHFFFAOYSA-N 246.335 2.941 0 40 BFAB C[C@@H]1C[C@H](O)[C@@H]2C=C(Cl)C=C[C@@H]2S1 4110318 CDLMBTLYJNUUMV-CUJWVEQBSA-N 216.733 2.550 0 40 BFAB CCCC(=O)Nc1nnc(-c2ccc(F)cc2)o1 4275979 SBQJXXULIHEEAC-UHFFFAOYSA-N 249.245 2.614 0 40 BFAB C[C@@]1(O)COC1(c1ccccc1)c1ccccc1 5663627 KEDNOWWOUDLOOO-OAHLLOKOSA-N 240.302 2.711 0 40 BFAB O=C(C1CC1)N1CCC(Cc2ccccc2)CC1 5682444 WEFGEHHXXUQMLK-UHFFFAOYSA-N 243.350 2.878 0 40 BFAB c1ccc2[nH]c(SC[C@H]3CCCO3)nc2c1 6025748 BAHJWCYIGQOZLV-SECBINFHSA-N 234.324 2.834 0 40 BFAB O=C(NC1CC1)c1cc2c(s1)CCCCC2 8077162 AEYUMMSYYOFOQO-UHFFFAOYSA-N 235.352 2.909 0 40 BFAB Cc1ccc(Cn2nc(Cl)nc2Cl)cc1 9142820 SJPRTMKHCWMZLG-UHFFFAOYSA-N 242.109 2.942 0 40 BFAB Cc1ccc(CN(CCO)Cc2ccccc2)o1 9720784 VLDQDBWCEHCJMR-UHFFFAOYSA-N 245.322 2.583 0 40 BFAB C/C(=C/CO)CC[C@@H]1OC(C)(C)OC1(C)C 12405106 LIDVLVSPTPJSLW-IEHMKBBKSA-N 228.332 2.635 0 40 BFAB C[C@@H](CNC(=O)c1ccncc1)c1ccccc1 12982288 KUMDDXSACSWWBG-LBPRGKRZSA-N 240.306 2.615 0 40 BFAB CCCCCNC(=O)COc1cc(C)cc(C)c1 14400707 ZOEOFLMWGBXZKF-UHFFFAOYSA-N 249.354 2.989 0 40 BFAB Cc1ccc([C@H](NN)c2ccccc2)c(C)c1 19386819 VHWWOHIVMLHWIL-OAHLLOKOSA-N 226.323 2.856 0 40 BFAB CC(C)(C)CC(=O)Nc1ccc(F)cc1N 20157339 WLUPGCZQTWJOIP-UHFFFAOYSA-N 224.279 2.783 0 40 BFAB Nc1cnccc1C(=O)Nc1ccccc1Cl 22073271 WBPLWHPRIRXVGB-UHFFFAOYSA-N 247.685 2.570 0 40 BFAB Cc1cccc(O[C@H](C)C(=O)NCC(C)C)c1C 30854730 PGLPBORIVJDICI-CYBMUJFWSA-N 249.354 2.843 0 40 BFAB Cc1ccc(NC(=O)[C@H]2C[C@H]2C)c(F)c1 32960649 UVQQBXXBCAUDRX-BDAKNGLRSA-N 207.248 2.729 0 40 BFAB CN1C(=S)SC[C@H]1c1ccccc1 34569048 VXMRRGIZCYGUAR-VIFPVBQESA-N 209.339 2.691 0 40 BFAB NC1(c2ccc(Cl)c(Cl)c2)CCOCC1 34977911 VQNQJGJPQFNRAA-UHFFFAOYSA-N 246.137 2.958 0 40 BFAB COc1ccc(C(F)(F)F)cc1C(C)=O 38529712 FPJNPSGNLVIBBS-UHFFFAOYSA-N 218.174 2.917 0 40 BFAB CCNc1cnccc1NC(=O)OC(C)(C)C 40435356 PEUZXJBTFMHGJJ-UHFFFAOYSA-N 237.303 2.860 0 40 BFAB CC[C@H](C)n1cc(C=O)c(C(C)(C)C)n1 40930833 VNLJRGALKZYSIL-VIFPVBQESA-N 208.305 2.964 0 40 BFAB Cc1cc(CNc2cnc3ccccc3n2)on1 49901245 POFJAHLBTDPOQA-UHFFFAOYSA-N 240.266 2.538 0 40 BFAB COc1ccc([C@@H]2CCCN2C(=O)C2CC2)cc1 52920120 TXIJHAPCZRCMHZ-AWEZNQCLSA-N 245.322 2.769 0 40 BFAB COC[C@H](C)Nc1ccc(F)c(Cl)c1 53172805 BIQPBTWBUKZUHN-ZETCQYMHSA-N 217.671 2.926 0 40 BFAB Cc1ccnc(NCc2ccc(F)cc2F)n1 61859448 UYHCPBUXNREWNR-UHFFFAOYSA-N 235.237 2.675 0 40 BFAB COc1cc(C(=O)N2CCCC2)cc2occc12 72240092 RSCSKFMWMFOVBU-UHFFFAOYSA-N 245.278 2.677 0 40 BFAB Cc1ccc(F)c2occ(CC(=O)O)c12 87968473 ZXFAIGAMFHELTF-UHFFFAOYSA-N 208.188 2.507 0 40 BFAB CC(C)(O)CNC(C)(C)c1ccc(Cl)cc1 95441681 ZJMGYZYZHWNDNU-UHFFFAOYSA-N 241.762 2.936 0 40 BFAB CC(C)(C)c1ccc2oc(C(=O)O)cc(=O)c2c1 95864827 QBJNJTPGFDXNPI-UHFFFAOYSA-N 246.262 2.789 0 40 BFAB CC(C)CCn1ccc(N[C@@H]2CCSC2)n1 96494913 CADKJTJCPGGBEI-LLVKDONJSA-N 239.388 2.847 0 40 BFAB CC1=CC2=C(C)N(C)[C@]3(C)CC[C@@]2(C3)N1C 100474842 OPQPFEQHBYUFBM-KGLIPLIRSA-N 218.344 2.736 0 40 BFAB Fc1cc(-n2cccn2)ccc1Br 169799182 HCJXXDZIFBTZFF-UHFFFAOYSA-N 241.063 2.774 0 40 BFAB COC(CSC1=Nc2ccccc2C1)OC 194538434 FDDAVTWGNTVJMB-UHFFFAOYSA-N 237.324 2.625 0 40 BFAB CCCn1cc(C=O)c2ccc(C(=O)OC)cc21 199822072 VVJKXFLPVVJZGE-UHFFFAOYSA-N 245.278 2.650 0 40 BFAB CCc1ccc(N2CCN[C@@H]3CCCC[C@H]32)cc1 218834491 HZECFFBNOMNDNS-HZPDHXFCSA-N 244.382 2.970 0 40 BFAB CC(C)Oc1ccc(NC(=O)C2(C)CC2)cn1 225930786 DDJSWCIXRMWYRI-UHFFFAOYSA-N 234.299 2.607 0 40 BFAB C[C@H](O)[C@@H]1C[C@H]1c1ccc(Br)cc1 248382430 WWMCQKXSZNIITD-SWPVVBRQSA-N 241.128 2.933 0 40 BFAB c1ccc(-c2cnc(NC3CCCC3)nc2)nc1 1888843107 WLANMNQATKETAY-UHFFFAOYSA-N 240.310 2.893 0 40 BFAB CC(=O)Cc1nc(-c2ccc(Cl)cc2)no1 76351 BQFGAUJKJWWUEA-UHFFFAOYSA-N 236.658 2.522 0 40 BFAB CC(C)(C)NC(=O)CCc1ccccc1 580919 GSSPEKAHQLNDNY-UHFFFAOYSA-N 205.301 2.534 0 40 BFAB CCCCCNC(=O)c1ccc(C)cc1 1583823 JDQZYLHVNMQHFF-UHFFFAOYSA-N 205.301 2.915 0 40 BFAB CONC(=O)Nc1cccc2ccccc12 1722344 BGCDZDCVCHZMTE-UHFFFAOYSA-N 216.240 2.523 0 40 BFAB Cc1cc(C)cc(NC(=O)[C@@H]2C[C@H]2C)c1 3407275 YVJFZFXJJRAQDO-ZYHUDNBSSA-N 203.285 2.898 0 40 BFAB COc1ccc(CN[C@H](C)C2CC2)cc1 4218517 DWNVHCGNTDKNBG-SNVBAGLBSA-N 205.301 2.583 0 40 BFAB in-vitro COc1ccc(-c2nc3ccccc3[nH]2)cc1N 5611741 LOAAJBOHHXFWPZ-UHFFFAOYSA-N 239.278 2.821 0 40 BFAB CCCn1ccnc1SCC(=O)c1ccc[nH]1 6650803 QPENYBDGHMAUAP-UHFFFAOYSA-N 249.339 2.596 0 40 BFAB COC[C@H](C)NCc1c(F)cccc1Cl 19905014 JOJDAVAEAGCVEF-QMMMGPOBSA-N 231.698 2.604 0 40 BFAB O=c1ccc2ccc(C(F)(F)F)cc2[nH]1 26474765 STHFBPRDYLWJGX-UHFFFAOYSA-N 213.158 2.547 0 40 BFAB CCOc1cc(C(F)(F)F)nc(Cl)n1 34188869 NCABPHJLFXMGTK-UHFFFAOYSA-N 226.585 2.548 0 40 BFAB in-vitro CCC(=O)N[C@@H](C)c1cc(C)sc1C 36393855 URSBLEDXQSWQFR-QMMMGPOBSA-N 211.330 2.952 0 40 BFAB CCC(=O)NCc1ccc(OC(C)C)cc1 36559415 CHDORDMNYUQZAC-UHFFFAOYSA-N 221.300 2.500 0 40 BFAB CC(C)[C@H](CCc1ccccc1)C(=O)O 39234489 IIUOJSGKSMQGAQ-LBPRGKRZSA-N 206.285 2.976 0 40 BFAB in-vitro CC[C@H](C)n1c(CCN)nc2ccccc21 40163792 FIUVVTJSFIGXHO-JTQLQIEISA-N 217.316 2.509 0 40 BFAB C[C@@H]1CCCN(C(=O)c2ccc(Cl)o2)C1 40462546 QAMZSXCFQIERHM-MRVPVSSYSA-N 227.691 2.805 0 40 BFAB Cc1cccc(C2(CC(=O)O)CCOCC2)c1 41262517 HFIUXBNAQDNFER-UHFFFAOYSA-N 234.295 2.518 0 40 BFAB COC(=O)c1cccnc1Nc1cccc(F)c1 42648863 PDCPFVUBHKHXMX-UHFFFAOYSA-N 246.241 2.751 0 40 BFAB O=c1cc(C(F)(F)F)oc(C(F)(F)F)c1 43463515 PZJUNGWKZOMUKS-UHFFFAOYSA-N 232.079 2.677 0 40 BFAB O=C(O)C[C@H](O)c1cc(Cl)cc(Cl)c1 52249151 UAOVLUFVXKIGKW-QMMMGPOBSA-N 235.066 2.502 0 40 BFAB in-vitro CN(C(=O)c1ccoc1)c1ccc(F)cc1 55750594 RHCHLMQKCQAJQT-UHFFFAOYSA-N 219.215 2.695 0 40 BFAB Cc1ccccc1C(=O)N[C@@H](C)C(C)C 57159825 PASVCRCUGSNQGK-NSHDSACASA-N 205.301 2.769 0 40 BFAB CCCC(F)(F)C(F)(F)CCC(=O)O 68591364 RIZGQVAAQMTIBD-UHFFFAOYSA-N 216.174 2.922 0 40 BFAB CCN1CCCC[C@H]1c1cnc(OC)c(C)c1 72217738 AVWYFRYJJOYUGJ-ZDUSSCGKSA-N 234.343 2.946 0 40 BFAB Cc1noc(/C=C/c2ccsc2)c1N 72324057 WOBHKKKPNIPIBE-NSCUHMNNSA-N 206.270 2.797 0 40 BFAB O=C(Nc1cnoc1)C12CC3CC(CC(C3)C1)C2 75170864 XXPYBTZFANXCFJ-UHFFFAOYSA-N 246.310 2.830 0 40 BFAB CNCc1cc(C(F)(F)F)ccc1F 82699490 UWNQYQDSTUBRIO-UHFFFAOYSA-N 207.170 2.564 0 40 BFAB NCc1ccc(-c2ccc(Cl)cc2)nc1 83251474 QDNBANFGWMMUMK-UHFFFAOYSA-N 218.687 2.861 0 40 BFAB O=C(OCC[C@H]1CCCO1)c1cccc(F)c1 84372021 HJEMVJIDEKDIHW-GFCCVEGCSA-N 238.258 2.552 0 40 BFAB C[C@H]1CC[C@H]1COc1cccc(C(=O)O)c1 96526474 OEURKRGZXDFXHF-ONGXEEELSA-N 220.268 2.810 0 40 BFAB CC(C)O[C@H](C[C@@H]1CCCCN1)C(C)C 96530053 KDXHFEHNWPDEIY-QWHCGFSZSA-N 213.365 2.968 0 40 BFAB C[C@@H](C[C@@H]1CCCO1)NCc1ccccc1 102430392 MTVXFLVYHHKCFY-JSGCOSHPSA-N 219.328 2.734 0 40 BFAB O=C1CCc2c(Cl)ccc(Cl)c2N1 213845602 NLQXZNULUDCGSK-UHFFFAOYSA-N 216.067 2.878 0 40 BFAB CCCc1ccc(C[C@H]2C[C@H]2C(=O)O)cc1 217824244 STLVKYXJZKBASY-QWHCGFSZSA-N 218.296 2.902 0 40 BFAB Cc1nc(SCC2CC2)ccc1C(=O)O 218271162 WAPQKIQAHYHAKZ-UHFFFAOYSA-N 223.297 2.590 0 40 BFAB CC1CC(C(=O)Nc2ccc3nccnc3c2)C1 531000496 CQQNRPNJTDZFMZ-UHFFFAOYSA-N 241.294 2.614 0 40 BFAB O=C(NCC(c1ccco1)c1ccco1)C1CC1 675007759 NZLZJKQEAZNSIM-UHFFFAOYSA-N 245.278 2.531 0 40 BFAB Cc1ccc2c(CO)cc(C3CC3)nc2c1 685937035 ICESNLNGZVGOFP-UHFFFAOYSA-N 213.280 2.913 0 40 BFAB OCc1ccc([C@H](F)C(F)(F)F)cc1 1535639573 OWSXVWIPPWXHJB-QMMMGPOBSA-N 208.154 2.752 0 40 BFAB CCC(=O)N[C@@H](C)Cc1c[nH]c2ccccc12 192494 MHMOEPVGEPQEEV-JTQLQIEISA-N 230.311 2.625 0 40 BFAB biogenic Cc1cccnc1NC(=O)Cc1ccccc1 360807 TVJKBGDHDMFSTA-UHFFFAOYSA-N 226.279 2.571 0 40 BFAB Cc1ccc([C@]2(C)OCC[C@@H](C)O2)cc1 1678003 BYGJZFXGXMYVFD-DGCLKSJQSA-N 206.285 2.993 0 40 BFAB O=C(O)C(=O)c1ccc(-c2ccccc2)cc1 1733969 DRFCZRDAUHIVIG-UHFFFAOYSA-N 226.231 2.621 0 40 BFAB in-vitro Cc1nc2c3c4c(sc3ncn2n1)CCCC4 2242021 ZKYXJDQWGJCALB-UHFFFAOYSA-N 244.323 2.526 0 40 BFAB Cc1cc(C)[n+](-c2cccc(C(=O)O)c2)c(C)c1 2351374 DKZLQGKDLMUQQQ-UHFFFAOYSA-O 242.298 2.587 0 40 BFAB O=C1NC(=O)/C(=C\C=C\c2ccccc2)S1 9332771 XABHYXPBBJGVRA-DAAQNPAKSA-N 231.276 2.567 0 40 BFAB O=C(NCc1ccc(F)cc1)[C@H]1CC=CCC1 9335591 ZFVADNVABPQYOS-LBPRGKRZSA-N 233.286 2.798 0 40 BFAB O=Cc1cc(-c2ccc(C(=O)O)cc2)cs1 16946373 KNZXASBRSDQANH-UHFFFAOYSA-N 232.260 2.926 0 40 BFAB CC(C)(C)OC(=O)/C=C/c1ccccc1C=O 22002097 AXPDMCJJNSJNCA-CMDGGOBGSA-N 232.279 2.854 0 40 BFAB CCn1cnc(-c2ccc(Cl)cc2)cc1=O 22605035 MMZXSQWDUICEOX-UHFFFAOYSA-N 234.686 2.584 0 40 BFAB Cc1ccc(C(=O)N[C@@H](C)c2cccnc2)cc1 32731625 ZXXIGCQOYSVQBE-LBPRGKRZSA-N 240.306 2.881 0 40 BFAB COc1ccc(/C=C(\Cl)[N+](=O)[O-])cc1OC 33376750 SACXDDNLWKKUEW-UXBLZVDNSA-N 243.646 2.518 0 40 BFAB Clc1ccc(S[C@H]2CCNC2)cc1 34103763 CZIVEYOBQCTLEO-JTQLQIEISA-N 213.733 2.794 0 40 BFAB CCCCC(=O)Nc1ccc(C=O)cc1 34303209 CFLUPENGKRJKFY-UHFFFAOYSA-N 205.257 2.628 0 40 BFAB OC/C=C/c1ccc(OC(F)(F)F)cc1 34452852 AQJMZIMWXVFCCI-OWOJBTEDSA-N 218.174 2.591 0 40 BFAB COC(=O)c1ccccc1NCc1ccco1 36803889 FDXBUBMKUSUBEE-UHFFFAOYSA-N 231.251 2.678 0 40 BFAB in-vitro C=CC(=O)N[C@H](c1cccs1)C(C)C 37007940 WDXZPTUTTABFFP-NSHDSACASA-N 209.314 2.747 0 40 BFAB O=C(CNC1CCCCCC1)Nc1ccccc1 37387731 CRBMWJURNTXIKV-UHFFFAOYSA-N 246.354 2.938 0 40 BFAB C[C@H](Cc1cccs1)NC(=O)c1ccccn1 38565723 POJGQEABNBTKRD-SNVBAGLBSA-N 246.335 2.504 0 40 BFAB Cc1cccc(C(=O)N[C@H](C)c2ccc(C)o2)n1 40051423 KWDDZZDDTVZVGX-LLVKDONJSA-N 244.294 2.782 0 40 BFAB Fc1cccc(OCc2ccccc2)n1 40711307 VMILKUCEYHWQOT-UHFFFAOYSA-N 203.216 2.800 0 40 BFAB NC[C@H]1C[C@H]1c1ccccc1C(F)(F)F 54586884 JBDVVLCWMKDZLY-VXNVDRBHSA-N 215.218 2.768 0 40 BFAB Cc1noc(C)c1NC(=O)CCC(C)C 58342964 HOUAEFRQTFJTKU-UHFFFAOYSA-N 210.277 2.666 0 40 BFAB C[C@@H]1C[C@@H]1C(=O)NCCc1ccccc1Cl 67084374 UEKGVEDTFXERPX-KOLCDFICSA-N 237.730 2.655 0 40 BFAB Cn1cc(CN2CCSc3ccccc32)cn1 70977395 BYFNVMDJEXMRRW-UHFFFAOYSA-N 245.351 2.532 0 40 BFAB COc1ccc([C@H]2CCCCN2C)c(C)n1 72218091 QJWHRMJAZKAIIA-GFCCVEGCSA-N 220.316 2.555 0 40 BFAB Cc1cc(Br)ccc1C1OCCO1 72267201 ZJJDARIPEHETAJ-UHFFFAOYSA-N 243.100 2.803 0 40 BFAB Cc1cc(C(=O)O)c2nccc(C)c2c1 82769969 ADVMTLVIGZOWQD-UHFFFAOYSA-N 201.225 2.550 0 40 BFAB in-vitro COc1cc(Br)cc(C(C)=O)c1 84506935 NFBOXKSRASBKQU-UHFFFAOYSA-N 229.073 2.660 0 40 BFAB C[C@@H](N)COCc1ccc(C(F)(F)F)cc1 89262686 WLKZPZJUJAPWTB-MRVPVSSYSA-N 233.233 2.569 0 40 BFAB CSc1cnccc1Br 90413777 ZSPKHJAEZMLISU-UHFFFAOYSA-N 204.092 2.566 0 40 BFAB in-vitro CCC(=O)Nc1ccc(C)c(O[C@@H]2CCOC2)c1 95408071 RUOZTUYLUSYWRW-GFCCVEGCSA-N 249.310 2.511 0 40 BFAB C[C@@H](NC(=O)N[C@H](C)C1CCC1)c1ccco1 95440217 XMSRJQXUOSFDPE-NXEZZACHSA-N 236.315 2.828 0 40 BFAB CS[C@@H]1CCC[C@H]1N(C)Cc1cccnc1 110642420 LALKKMRVWINDPE-CHWSQXEVSA-N 236.384 2.798 0 40 BFAB Cc1ccc(F)cc1CN[C@@H]1C[C@@H]2CC[C@@H]1O2 129092864 UONWEWRDJGPRJA-MJBXVCDLSA-N 235.302 2.544 0 40 BFAB Cc1ccc(Br)c2[nH]cnc12 220152640 LZXRJPYKNKGGTM-UHFFFAOYSA-N 211.062 2.634 0 40 BFAB CCCO[C@H](Cc1ccccc1CC)C(=O)O 225041656 ORYBVONNPPAXBE-CYBMUJFWSA-N 236.311 2.671 0 40 BFAB CN1C[C@H](c2ccc(C(C)(C)C)cc2)[C@@H](CO)C1 225608854 AATMIODLBAMVPX-UKRRQHHQSA-N 247.382 2.622 0 40 BFAB N[C@@H](C[C@@H](O)c1ccccc1)c1ccccc1 1723152 HQFWJAGMDNUMAK-LSDHHAIUSA-N 227.307 2.810 0 40 BFAB Oc1ccc(-c2cn3ccsc3n2)cc1 3078186 CUFPGQXVRGWHOQ-UHFFFAOYSA-N 216.265 2.768 0 40 BFAB Cn1nc2c3c(cccc3c1=O)-c1ccccc1-2 4942501 IHXZUZKPEFKXTL-UHFFFAOYSA-N 234.258 2.581 0 40 BFAB CCC[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 6779182 NBBVWDFNCSBFNW-SECBINFHSA-N 235.283 2.790 0 40 BFAB CCNC(=S)Nc1cccc(C)c1C 7522754 ZVWYQMJOAIUKDS-UHFFFAOYSA-N 208.330 2.610 0 40 BFAB COC(=O)c1ccccc1-c1cccc(C=O)c1 8727168 IEWVKJWDYYBZAO-UHFFFAOYSA-N 240.258 2.953 0 40 BFAB CC[C@@H](CCN)n1nc(C(F)(F)F)cc1C 12357772 YYRQBZNLAJKQEZ-QMMMGPOBSA-N 235.253 2.510 0 40 BFAB Cc1cc(C)c(C)c(O[C@H]2CCCNC2)c1 14631648 NMIUPOLTNYMFEG-ZDUSSCGKSA-N 219.328 2.743 0 40 BFAB COC(=O)[C@@H](N)c1ccc(-c2ccccc2)cc1 15446142 DXSRQHCLOHVMKH-AWEZNQCLSA-N 241.290 2.526 0 40 BFAB N[C@H](c1ccc(F)cc1F)C(F)(F)F 19969038 LVSMZSSASNKGSY-SSDOTTSWSA-N 211.133 2.527 0 40 BFAB Cc1ccc(C)c(NC(=O)c2n[nH]cc2Cl)c1 28225142 RVUDLZLPRNABIV-UHFFFAOYSA-N 249.701 2.932 0 40 BFAB CCCC(=O)c1ccc(C(=O)OCC)s1 31893738 DACAPRONVLLVHS-UHFFFAOYSA-N 226.297 2.908 0 40 BFAB C[C@H]1C(=O)C[C@@H](c2ccco2)N[C@H]1c1ccco1 33286141 ODBXCYFSKSAVDY-PKFCDNJMSA-N 245.278 2.854 0 40 BFAB CCOC(=O)c1cnc(Cl)nc1C(C)(C)C 39957333 PIWQATPCWPEMEO-UHFFFAOYSA-N 242.706 2.604 0 40 BFAB COc1ccc([C@H](O)c2ccc(C)o2)c(C)c1 40246259 LIHGJUHPJNMBLF-AWEZNQCLSA-N 232.279 2.987 0 40 BFAB Cc1nn(-c2ccc(Cl)cc2)c(N)c1C 45628342 MYQDVQRVMNQDBF-UHFFFAOYSA-N 221.691 2.725 0 40 BFAB in-vitro Cc1c(C=O)cc2c(c1C)OC(C)(C)C2 68675297 ILWRQPNJTLCDJN-UHFFFAOYSA-N 204.269 2.829 0 40 BFAB O=C(O)c1cc(-c2cccc(F)c2)ns1 70451411 UEJFZAYHJRILMA-UHFFFAOYSA-N 223.228 2.647 0 40 BFAB Cc1cc(CN)cnc1N(C)c1ccccc1 72222298 ITHWRJJLSCWWPW-UHFFFAOYSA-N 227.311 2.617 0 40 BFAB CON(C)C(=O)c1ccc(-c2ccccc2F)o1 72614800 YXCBGEFBVNJIJB-UHFFFAOYSA-N 249.241 2.719 0 40 BFAB C[C@@H]1C[C@@H]1C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C 78792769 YLSHQKYEVVSIEL-KVSVUVNWSA-N 221.344 2.822 0 40 BFAB CCn1c(C=O)nc2cccc(Cl)c21 82583194 PZINCHDDIFHKTQ-UHFFFAOYSA-N 208.648 2.522 0 40 BFAB C[C@@H](N)c1cccc(C(F)(F)F)c1F 83592953 DPNRVWDJFMNADR-RXMQYKEDSA-N 207.170 2.864 0 40 BFAB CC(C)CCC[C@H](C)NC(=O)NC1CC1 84510295 YNASAVKMPJSPLE-JTQLQIEISA-N 212.337 2.663 0 40 BFAB Cc1nc(Oc2ccccc2)ccc1N 89065452 VJPCTKZBDXDUGZ-UHFFFAOYSA-N 200.241 2.765 0 40 BFAB Cc1cccc2c(N3CCCC3)ncnc12 95418985 UCARMLRVDYVPCO-UHFFFAOYSA-N 213.284 2.538 0 40 BFAB Cc1ccc2c(c1)N(Cc1ccc(CO)o1)CC2 96500319 PQMKZQSHGGKNNT-UHFFFAOYSA-N 243.306 2.643 0 40 BFAB CN(C)c1ccc(NC2CCCCC2)nc1 97019308 PRBYGXMGEPEPGC-UHFFFAOYSA-N 219.332 2.892 0 40 BFAB CC1=C[C@@H](C)N2NC(c3cccs3)=CC2=N1 97436731 ULONTFHOUUZPRM-SECBINFHSA-N 231.324 2.614 0 40 BFAB C[C@H](OCC1CC1)C(=O)OC1CCCCC1 120227396 OUUDDYTZQFINIW-JTQLQIEISA-N 226.316 2.677 0 40 BFAB C[C@H](CO)N[C@@H]1CCCC[C@H]1C(C)(C)C 135075016 BQGYIJXCKRVMCN-IJLUTSLNSA-N 213.365 2.562 0 40 BFAB CC[C@@H](NCc1cc[nH]n1)c1cccc(F)c1 166543768 XJQWSDCHIBNTNO-CYBMUJFWSA-N 233.290 2.790 0 40 BFAB CCN(c1cccc(C)c1C)[C@@H](C)C(=O)O 224981880 YTIZRCGPCSMFFX-NSHDSACASA-N 221.300 2.603 0 40 BFAB CCCCn1c(CC)ccc1C(=O)OC 226022195 RWWRHKURKDGIRK-UHFFFAOYSA-N 209.289 2.637 0 40 BFAB Nc1nsc2cccc(C(F)(F)F)c12 228964118 CRTOMGXKGJVDTP-UHFFFAOYSA-N 218.203 2.897 0 40 BFAB CCCn1ccc(NCc2cnn(C(C)C)c2)n1 256052506 NOYUERFSJZSRPY-UHFFFAOYSA-N 247.346 2.683 0 40 BFAB Cc1c(Cl)cccc1N[C@@H]1CC[C@H]1O 585298782 HCWNHESFOLHZHO-GHMZBOCLSA-N 211.692 2.584 0 40 BFAB Cc1cccc(COc2ncccc2F)n1 585655042 XIPIVCKMLMPBIR-UHFFFAOYSA-N 218.231 2.503 0 40 BFAB COc1ccc(CN2CCC(F)(F)CC2)cc1 793360073 PLDOMYVMLSXJBT-UHFFFAOYSA-N 241.281 2.926 0 40 BFAB Cn1cnc(-c2c(Cl)cccc2Cl)n1 2362801288 BDKWJKRRYFGQIW-UHFFFAOYSA-N 228.082 2.789 0 40 BFAB Cc1ccc(C(=O)Nc2nc(C)cc(C)n2)cc1 580097 OYNGVNWDKCBGEZ-UHFFFAOYSA-N 241.294 2.654 0 40 BFAB O=S(=O)(O)c1ccc(Cl)c2ccccc12 1676407 ASYHDOGSKLDKOW-UHFFFAOYSA-N 242.683 2.740 0 40 BFAB O=C(O)[C@@H](c1ccccc1)[C@@H](O)C1CCCCC1 1733998 FELKSHAELBQVRN-KBPBESRZSA-N 248.322 2.796 0 40 BFAB CCN(CC)CC(=O)Nc1cc(C)cc(C)c1 1995442 JEGVQGHWBTYVRY-UHFFFAOYSA-N 234.343 2.584 0 40 BFAB O=C(c1ccc(CN2CCC2)cc1)C1CCC1 2514648 FQGDDZUKYGUWMU-UHFFFAOYSA-N 229.323 2.875 0 40 BFAB CCOC(=O)c1nc(-c2ccccc2)oc1C 5000426 BIHPJNQKVPGOCY-UHFFFAOYSA-N 231.251 2.827 0 40 BFAB Cc1cccc(S(=O)(=O)Nc2ccccc2)c1 7814931 DRAPBUPJVXGEEG-UHFFFAOYSA-N 247.319 2.796 0 40 BFAB O=Cc1ccc(OC(=O)/C=C/c2ccco2)cc1 9434950 AABPJHPEHNKSKC-BQYQJAHWSA-N 242.230 2.711 0 40 BFAB CCCCN(C)C(=O)Cc1c[nH]c2ccccc12 12824801 AKHFGUWDCWLRKP-UHFFFAOYSA-N 244.338 2.969 0 40 BFAB Cc1cc(C)c2c(C)c(C(=O)O)sc2n1 20268641 QAGQDZRYEZEPNX-UHFFFAOYSA-N 221.281 2.920 0 40 BFAB in-vitro CCOc1ccc(-n2cc[nH]c2=S)cc1 26423276 ZSOWPDJCRZVGLA-UHFFFAOYSA-N 220.297 2.934 0 40 BFAB Cc1ccc(C(=O)C(=O)N(C(C)C)C(C)C)cc1 34218710 FGKIPZJYAZZNFA-UHFFFAOYSA-N 247.338 2.823 0 40 BFAB Fc1cc(F)cc(CC2CCNCC2)c1 34567809 WWGCSCHVGGTGSM-UHFFFAOYSA-N 211.255 2.507 0 40 BFAB in-vitro CC(C)CC(=O)N[C@@H](C)Cc1cccs1 38935398 HSEWHWVWGVVKQS-JTQLQIEISA-N 225.357 2.841 0 40 BFAB O[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F 43367894 ILFVFWICBHRJEG-SSDOTTSWSA-N 242.143 2.884 0 40 BFAB O=C(O)c1ccc(-c2ccncc2)c(F)c1 43589615 VAHXOHHQHVUNQS-UHFFFAOYSA-N 217.199 2.586 0 40 BFAB in-vitro COC(=O)c1cccc(OC)c1C(F)(F)F 47202412 IFJRPTDMCZCDGK-UHFFFAOYSA-N 234.173 2.501 0 40 BFAB CC(C)CN1CCO[C@@H](c2cccc(F)c2)C1 66847771 JTTGKSYHAHTTFS-CQSZACIVSA-N 237.318 2.855 0 40 BFAB COC(=O)/C(=C/c1cccs1)c1ccncc1 71795735 RBRDUYKJESEDCK-FMIVXFBMSA-N 245.303 2.857 0 40 BFAB CCCCC1=NN(c2ccccc2)C(=O)C1 71976513 LFCWVTIKWVLDGK-UHFFFAOYSA-N 216.284 2.970 0 40 BFAB CCCN1CCCC[C@@H]1c1cnc(N)cc1C 72218518 UFYAJXSBHKJIKJ-CYBMUJFWSA-N 233.359 2.909 0 40 BFAB CNCc1cnc(Nc2ccccc2)cc1C 72223327 DTLZXARVYQROIZ-UHFFFAOYSA-N 227.311 2.853 0 40 BFAB CC(C)(C)n1ccc(NC(=O)[C@H]2CC=CCC2)n1 75134284 LSMTYSLUHZXOPB-NSHDSACASA-N 247.342 2.933 0 40 BFAB CCc1nc([C@H]2CCCN2[C@H]2C=CCCC2)no1 75607303 OVGWYGKOWXOEJI-NWDGAFQWSA-N 247.342 2.878 0 40 BFAB COc1ccc([C@H]2CCC[C@@H]2O)c(C)c1 83696845 TWTHPCQAGALURU-OLZOCXBDSA-N 206.285 2.632 0 40 BFAB Cc1ccccc1C(=O)c1ccc(C(=O)O)o1 85394360 TWUDOTWQIDNKGO-UHFFFAOYSA-N 230.219 2.517 0 40 BFAB Cc1cccc2cc(CN)c(Cl)nc12 89261966 QAAKUYZRGQTZRH-UHFFFAOYSA-N 206.676 2.655 0 40 BFAB Cc1[nH]ccc1C(=O)N1C[C@H]2CCCC[C@H]2C1 89536731 PSQYANVRKGFDHX-TXEJJXNPSA-N 232.327 2.585 0 40 BFAB Cc1ccc([C@@H](O)c2cccn2C)cc1F 95727802 SCJPCUVGDYZJRI-CYBMUJFWSA-N 219.259 2.554 0 40 BFAB O=Cc1ccc2nc(Br)sc2c1 95836359 KRMBMPJIMPGDTB-UHFFFAOYSA-N 242.097 2.871 0 40 BFAB in-vitro COCCN[C@@H]1CCc2cc(Cl)ccc21 96033260 FSHCJZFGUNDYKE-GFCCVEGCSA-N 225.719 2.563 0 40 BFAB C[C@@H]1CC[C@H]1COc1ccc(C(=O)O)cc1 96526480 QTIOOMNJFALMMR-KOLCDFICSA-N 220.268 2.810 0 40 BFAB Cc1cccc(NCCc2ccc(CO)cc2)n1 97163415 UFLRTJKYKWIDPA-UHFFFAOYSA-N 242.322 2.537 0 40 BFAB CC(C)(C)C1=NN(c2ccccc2)C(=O)C1 100023293 NOSULZKBEJXMKJ-UHFFFAOYSA-N 216.284 2.825 0 40 BFAB CCCC(=O)c1ccccc1OC(C)=O 139501193 IFKFRVKMMJSPJL-UHFFFAOYSA-N 206.241 2.595 0 40 BFAB CCC[C@H](C)Nc1ccc(N)cc1C(=O)NCC 225492471 SKPCTNGHTFCERW-JTQLQIEISA-N 249.358 2.619 0 40 BFAB Cc1csc(-c2coc(C3CC3)n2)n1 630387101 FNQXCSVNKADLQX-UHFFFAOYSA-N 206.270 2.984 0 40 BFAB CCCCc1ccc(-n2cnc(C)n2)cc1 2362803571 LODLFGZYSKDGDL-UHFFFAOYSA-N 215.300 2.918 0 40 BFAB Cc1ccc(C)c(OCC(=O)NC(C)(C)C)c1C 144478 KOZFZJAMILOIEL-UHFFFAOYSA-N 249.354 2.905 0 40 BFAB COc1ccc(NC(=O)N2CCC(C)CC2)cc1 397525 YJMGSVPGOIBYHC-UHFFFAOYSA-N 248.326 2.959 0 40 BFAB CC1=C[C@@H](C)C2(COC(C)OC2)[C@H](C)C1 517782 BAYLCXARJZNKOL-OKZRHMCRSA-N 210.317 2.988 0 40 BFAB biogenic O=C(c1ccncc1)c1c[nH]c2ccccc12 1727141 URMRKJJIVRNPPV-UHFFFAOYSA-N 222.247 2.794 0 40 BFAB CCCCCCSc1nnc(N)s1 1791480 NSOOBCMKNXDQHP-UHFFFAOYSA-N 217.363 2.793 0 40 BFAB CCOC(=O)CCC(=O)c1ccc(C)c(F)c1 2378934 YLVFHPYTOIXPHY-UHFFFAOYSA-N 238.258 2.660 0 40 BFAB Cc1ccccc1CC(=O)C(F)(F)F 2518005 BFTDFOATGPZODW-UHFFFAOYSA-N 202.175 2.669 0 40 BFAB CCOP(=O)(OCC)c1cccc(C)c1 2565611 PTTQZSAKTKNWSW-UHFFFAOYSA-N 228.228 2.886 0 40 BFAB CCOP(=O)(OCC)C(=O)c1ccco1 2900678 KDUKKBIDGCZPPL-UHFFFAOYSA-N 232.172 2.686 0 40 BFAB c1csc(CNCc2ccc3c(c2)OCO3)c1 5997594 WPDMUKBETPHTMF-UHFFFAOYSA-N 247.319 2.767 0 40 BFAB CC[C@@H](C)NC(=O)CCc1ccc(OC)cc1 6116206 DVHNYHUAJALYRV-LLVKDONJSA-N 235.327 2.543 0 40 BFAB Cc1cc(C(=O)Nc2ncccc2C)c(C)o1 12538458 HJJMOMBWBHVVGR-UHFFFAOYSA-N 230.267 2.852 0 40 BFAB O=C(Nc1ccncc1)c1cc2c(s1)CCC2 13284474 XNIFZSKEOIBNNS-UHFFFAOYSA-N 244.319 2.884 0 40 BFAB Fc1nc(Cl)c(F)c(Br)c1F 16159834 FMJBPYXQNAVFNI-UHFFFAOYSA-N 246.413 2.915 0 40 BFAB COc1ccc([C@H]2CN[C@@H]3CCC[C@H]23)cc1 19553960 IOHDMJKBWKLGRB-MGPQQGTHSA-N 217.312 2.551 0 40 BFAB C/C=C/C=C/C(=O)Nc1nc(C)cs1 30811989 HBCBDKSYQYSNBR-VNKDHWASSA-N 208.286 2.522 0 40 BFAB CC(=O)[C@@H](C)Sc1nc2ccccc2o1 35183485 BOQPHDDEDPKYJY-MRVPVSSYSA-N 221.281 2.897 0 40 BFAB NC(=O)c1sccc1-c1ccccc1 36379460 SFIDPJRHRJFVLK-UHFFFAOYSA-N 203.266 2.514 0 40 BFAB in-vitro CCCOc1ccc(Cl)cc1CO 36895112 XOIZPEAAUARFRD-UHFFFAOYSA-N 200.665 2.621 0 40 BFAB Cc1ccc(C(=O)c2cccc(C)n2)cc1 45028465 LZSUPUPGIBLKCR-UHFFFAOYSA-N 211.264 2.929 0 40 BFAB Cc1cccnc1Oc1ccc(C(=O)O)cc1 51041397 CLPDVEYWHGIWGY-UHFFFAOYSA-N 229.235 2.881 0 40 BFAB CC(C)Oc1ccc(C(=O)O)c(Cl)c1 61848545 ACGZKCQTHXAZOX-UHFFFAOYSA-N 214.648 2.825 0 40 BFAB in-vitro CC(C)(N)[C@@H](O)c1ccc(Cl)c(Cl)c1 62710130 DZUXFIOSPQYNEF-VIFPVBQESA-N 234.126 2.764 0 40 BFAB Cc1cc(F)ccc1-c1ccc(CCN)o1 70452825 WWHIDMDHKRAUIA-UHFFFAOYSA-N 219.259 2.895 0 40 BFAB Cc1ccncc1NC(=O)Cc1ccc(F)cc1 71847598 ZJCNWLUJOQNFNF-UHFFFAOYSA-N 244.269 2.710 0 40 BFAB Cc1nc(N)ccc1[C@H]1CCCCN1C(C)C 72218581 AOUAIZCRWOKPBQ-CYBMUJFWSA-N 233.359 2.908 0 40 BFAB CC[C@@H](O)CN1CCc2cc(F)ccc2[C@@H]1C 72291969 GVLMHPPHZZJDSC-GXFFZTMASA-N 237.318 2.516 0 40 BFAB COc1cc(Cn2cccn2)ccc1SC 72302050 IFQMAHIUUZEGIH-UHFFFAOYSA-N 234.324 2.662 0 40 BFAB Fc1ccc(CN2CC[C@@H](c3ccn[nH]3)C2)cc1 72381367 NESDFRLKGQANKE-GFCCVEGCSA-N 245.301 2.538 0 40 BFAB CO[C@]1(C)C[C@@H](NC2CCSCC2)C1(C)C 72926274 ZXNCXGJZFUZVMV-DGCLKSJQSA-N 243.416 2.675 0 40 BFAB CC1(C)CN(C(=O)c2cc(C3CC3)[nH]n2)C1(C)C 80406322 VCJJURFZZWPLDK-UHFFFAOYSA-N 247.342 2.548 0 40 BFAB CCc1ccc([C@@H](C)N[C@H](C)CCOC)o1 95421515 WVRBDULDEVIXOO-GHMZBOCLSA-N 225.332 2.918 0 40 BFAB CCOc1ccccc1N(C)C[C@@H]1CCOC1 95974426 VKMFBXHXHUXGNU-LBPRGKRZSA-N 235.327 2.558 0 40 BFAB COCC[C@H](C)SCc1ccccn1 95991024 PKWUJFZERYIYED-JTQLQIEISA-N 211.330 2.740 0 40 BFAB CC(C)[C@H](NCCCO)c1ccc(F)c(F)c1 96492293 NNYLSZAAODQWHV-ZDUSSCGKSA-N 243.297 2.634 0 40 BFAB COC[C@@](C)(NCc1ccco1)c1ccccc1 154679520 YVZDKTXYIALVCK-OAHLLOKOSA-N 245.322 2.931 0 40 BFAB COC(C)(C)c1nc(-c2cccs2)no1 195578627 MRVHKDCUCUVGTM-UHFFFAOYSA-N 224.285 2.680 0 40 BFAB CNCc1cccn1-c1ccccc1Cl 223684059 ZZHXFQHKQRFXIQ-UHFFFAOYSA-N 220.703 2.850 0 40 BFAB COc1c(F)cccc1C(=O)C=C(C)C 382740969 ZNFPSWWQLIYQCL-UHFFFAOYSA-N 208.232 2.983 0 40 BFAB COC(=O)CCCC(=O)c1ccc(F)cc1C 575357637 UZCAFNFFWONJJL-UHFFFAOYSA-N 238.258 2.660 0 40 BFAB Cc1c(Br)cccc1[C@@H]1C[C@H]1CN 1536022457 PCCLGSDLRJSXIO-WCBMZHEXSA-N 240.144 2.820 0 40 BFAB Cc1ccc2c(Cl)c(C)c3nncn3c2n1 1016788 FXDMDPLMRPUDES-UHFFFAOYSA-N 232.674 2.548 0 40 BFAB COc1cccc2c1[N+](C)=C(C)C2(C)C 1569110 NJNUYLAIFONEIO-UHFFFAOYSA-N 204.293 2.721 0 40 BFAB O=Cc1ccccc1C(=O)OCc1ccccc1 1689274 OEWWFQYTNGODQM-UHFFFAOYSA-N 240.258 2.856 0 40 BFAB CCN(CC)C(=O)/C=C/c1cccs1 3178562 RYIFJSIMZYLDPS-BQYQJAHWSA-N 209.314 2.630 0 40 BFAB Cc1cc(C(=O)OCC(=O)C(C)(C)C)c(C)o1 3240325 QQBFLSQWQSZQIB-UHFFFAOYSA-N 238.283 2.668 0 40 BFAB CC(=O)[C@@H]1CC[C@]2(C)CCC(=O)[C@@H](C)[C@@H]2C1 4984583 TWCJTIDWKFRZSQ-WSXWTOPLSA-N 222.328 2.997 0 40 BFAB Cc1cccc(NC(=O)c2cc(C)on2)c1 9387484 GGUFULTUWSXUDA-UHFFFAOYSA-N 216.240 2.544 0 40 BFAB CC1(C)CO[C@H](c2cccc(Cl)c2)CN1 11803237 OFJQFAKNSFCCTE-NSHDSACASA-N 225.719 2.780 0 40 BFAB COc1ncnc2c1sc1nc(C)c(C)cc12 12323146 BMZLINDNWNHAIU-UHFFFAOYSA-N 245.307 2.865 0 40 BFAB Oc1ccc2oc(-c3ccncc3)nc2c1 16431343 PUSDKWRYIDOGQV-UHFFFAOYSA-N 212.208 2.595 0 40 BFAB COC(=O)CCSCc1cccc(F)c1 16971082 WSPLAGTWCCFMPB-UHFFFAOYSA-N 228.288 2.622 0 40 BFAB Cc1ccc2nc([C@H]3CCCNC3)[nH]c2c1C 19737158 FWXGQVNJZSMBEX-NSHDSACASA-N 229.327 2.647 0 40 BFAB in-vitro COc1ccc(CO)cc1OCCC(C)C 20032372 PCBROQPWSJRXJM-UHFFFAOYSA-N 224.300 2.612 0 40 BFAB CC[C@H](C(=O)NN1CCCCC1)c1ccccc1 20495408 NDERYXQOFFJSFR-AWEZNQCLSA-N 246.354 2.697 0 40 BFAB CC(C)(C)OC(=O)N1CCc2ccc(O)cc2C1 21989677 SVWCQVGJRNYYBX-UHFFFAOYSA-N 249.310 2.685 0 40 BFAB C[C@H](NC(=O)c1cccn1C)c1ccc(F)cc1 22968146 YBSXRSHNNBVWSA-JTQLQIEISA-N 246.285 2.655 0 40 BFAB C[C@@H]1CC[C@@H](N(C)C[C@@H](O)c2ccccc2)C1 23280808 FEKLTCGMTHGFNP-BPLDGKMQSA-N 233.355 2.840 0 40 BFAB Cc1cnc(NC(=O)CSC(C)C)s1 24627338 YIYABFROKKHQQT-UHFFFAOYSA-N 230.358 2.532 0 40 BFAB OCc1c(Cl)nc(Cl)n1-c1ccccc1 36379631 ANQUTOMYTAUQOJ-UHFFFAOYSA-N 243.093 2.671 0 40 BFAB in-vitro O=C(Nc1nc(C(F)(F)F)cs1)C1CC1 40088001 YBHROGWKBQLKCE-UHFFFAOYSA-N 236.218 2.510 0 40 BFAB Cc1noc(C)c1-c1ccc(C(=O)O)cc1 40447881 GDLMOSFOLPYNIR-UHFFFAOYSA-N 217.224 2.657 0 40 BFAB Cc1cc(C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)no1 41780968 GCJYBHPTKXASRM-DVVUODLYSA-N 236.315 2.538 0 40 BFAB Nc1ccc(C(F)(F)F)nc1-c1ccncc1 47212446 VVZHKSUBTQCLIU-UHFFFAOYSA-N 239.200 2.745 0 40 BFAB CCNc1nnc(SCC(C)C)s1 48397798 ZPMNVDJDUIEBRO-UHFFFAOYSA-N 217.363 2.718 0 40 BFAB CC[C@H](C)C(=O)Nc1ccc2oc(=O)ccc2c1 48810726 HYABZOLPQNOSFW-VIFPVBQESA-N 245.278 2.778 0 40 BFAB CNCCCc1cccc(C(F)(F)F)c1 52948917 SHWAZXOSHBKWDL-UHFFFAOYSA-N 217.234 2.857 0 40 BFAB Cc1ccc(Cn2c(C)cc(C(=O)O)c2C)o1 53035440 XLQLUCPVQDFLBB-UHFFFAOYSA-N 233.267 2.753 0 40 BFAB Clc1cccnc1N/N=C/c1ccccn1 54884352 XQHCRAITCOOHNM-OVCLIPMQSA-N 232.674 2.576 0 40 BFAB CC[C@@H](C)C(=O)Nc1ccc(N2CCCC2)cn1 58264739 PKKREJRESFEXFB-LLVKDONJSA-N 247.342 2.666 0 40 BFAB Oc1ccc(-c2n[nH]c(-c3cccs3)n2)cc1 64874543 PNKZHWVGNQNMBI-UHFFFAOYSA-N 243.291 2.906 0 40 BFAB CCOc1ccc([C@@H](O)c2ccccc2)c(C)n1 72224176 SRSXONGXGCZCBB-HNNXBMFYSA-N 243.306 2.870 0 40 BFAB C[C@@H](O)c1ccc(Nc2ccccc2)nc1 72225301 WXPVDHGHISWXQC-SNVBAGLBSA-N 214.268 2.879 0 40 BFAB C[C@H]1CCCN(C(=O)CC2CCCC2)C1 82319598 YGNHXFMCSOHRIP-NSHDSACASA-N 209.333 2.825 0 40 BFAB Cc1c(Br)sc(C=O)c1C 82367863 ZZPVDKVHNSXLIJ-UHFFFAOYSA-N 219.103 2.940 0 40 BFAB Cc1nsc(NCc2ccccc2C)n1 83648092 KMOZXZTVBBXRLS-UHFFFAOYSA-N 219.313 2.767 0 40 BFAB CCc1ccccc1[C@H](O)c1cccn1C 95727771 JPKZUICTLPANEW-AWEZNQCLSA-N 215.296 2.669 0 40 BFAB CCC[C@@](C)(O)c1ccc(F)cc1OC 95739350 MUQUPGREPOFEAO-GFCCVEGCSA-N 212.264 2.842 0 40 BFAB COCCCCNc1cc(F)c(F)cc1F 96500472 AUNRWOVIZPVTIB-UHFFFAOYSA-N 233.233 2.942 0 40 BFAB c1ccc(CN2CCC[C@@H]([C@H]3CCCN3)C2)cc1 101269283 NTEQKPPDYLNFBT-HZPDHXFCSA-N 244.382 2.651 0 40 BFAB CC(=O)CC(=O)c1ccc(Cl)s1 101869733 GRWIUBTUWASPBK-UHFFFAOYSA-N 202.662 2.563 0 40 BFAB CC1(C)C[C@@H]2[C@@H]1CC[C@]1(C)C[C@]2(O)CC[C@@H]1O 104080777 SFJOMLIUSIKKRA-SZWZKDINSA-N 238.371 2.725 0 40 BFAB O=C1Nc2cc(F)ccc2C12CCCC2 117671671 AQYKLHUITHTXQI-UHFFFAOYSA-N 205.232 2.590 0 40 BFAB CNCCCNc1ccnc2cc(C)cc(C)c12 222677355 RCVMCUWZMRIMCR-UHFFFAOYSA-N 243.354 2.873 0 40 BFAB CC(C)Oc1ccccc1-n1cccc1CO 223737342 HZNJXCINENXBGG-UHFFFAOYSA-N 231.295 2.757 0 40 BFAB CC[C@H](Cl)C(=O)c1ccccc1OC(C)=O 381555669 OMBHJQCDNORABT-JTQLQIEISA-N 240.686 2.812 0 40 BFAB FC(F)(F)c1ccc(-c2cnon2)cc1 953061907 GXZOCARTWCMJLU-UHFFFAOYSA-N 214.146 2.755 0 40 BFAB Cc1ccc(N)c2c3c4n(c12)CCN[C@H]4CCC3 287015 KAOVDZKFRPBLAI-LBPRGKRZSA-N 241.338 2.513 0 40 BFAB Fc1cccc(CNCc2cccnc2)c1 378539 NKWRFELRHSZCJV-UHFFFAOYSA-N 216.259 2.511 0 40 BFAB COc1ccc(NC(=O)C2CCCCC2)c(N)c1 874340 BLCFPIKJCVXISZ-UHFFFAOYSA-N 248.326 2.796 0 40 BFAB CC(C)n1nnnc1-c1cccc(Cl)c1 1405255 ZKBCHMCTKBNZFO-UHFFFAOYSA-N 222.679 2.574 0 40 BFAB O=C1Cc2ccccc2C(=O)Cc2ccccc21 1709155 ABCXULAASUQBOC-UHFFFAOYSA-N 236.270 2.851 0 40 BFAB biogenic O[C@H]1c2ccccc2CCC[C@@H]1N1CCCCC1 1716415 YHKXIOBTHOUEOA-HOTGVXAUSA-N 245.366 2.911 0 40 BFAB CCOC(=O)c1cccn1Cc1ccccc1 2381163 DREONSCOKKHULY-UHFFFAOYSA-N 229.279 2.713 0 40 BFAB O=C(O)c1cccnc1CCc1ccccc1 2539948 FIBVUGPJCPOSJB-UHFFFAOYSA-N 227.263 2.565 0 40 BFAB CCOC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 2549389 IOCZOWQBIFFHPM-SECBINFHSA-N 242.702 2.979 0 40 BFAB Cc1ccc(O)c([C@@H](O)c2ccccc2)c1 3111500 AHNAMZDFTFYIEE-AWEZNQCLSA-N 214.264 2.782 0 40 BFAB biogenic O=Nc1c(-c2cccs2)nc2ncccn12 3848891 MIVUAZJBHLVIOC-UHFFFAOYSA-N 230.252 2.856 0 40 BFAB biogenic Cc1sc(C(=O)O)c(-n2cccc2)c1C 4992603 WDTCFRQSOXGEIO-UHFFFAOYSA-N 221.281 2.854 0 40 BFAB Cc1nc2c(c(C)nn2C)c(C)c1Cl 16958039 GQTAUQWOTNORQC-UHFFFAOYSA-N 209.680 2.547 0 40 BFAB NCc1cccc(OC2CCCCC2)c1 20210244 QDNNXYYNDGHTNZ-UHFFFAOYSA-N 205.301 2.857 0 40 BFAB in-vitro CC(C)Oc1ccc(CNC[C@@H]2CCCO2)cc1 32104798 PDIRKIBYVFZBNV-HNNXBMFYSA-N 249.354 2.742 0 40 BFAB COC(=O)Cc1c(C)c(C)c(C)c(C)c1C 34079596 KIYBVRKRWCQQMW-UHFFFAOYSA-N 220.312 2.944 0 40 BFAB Fc1ccc(/C=C/c2ccncn2)cc1 34585880 ZKKROFGWMPGQPN-ZZXKWVIFSA-N 200.216 2.786 0 40 BFAB CCc1c(-c2cccc(C)c2)noc1N 36916530 MMDKJRIKEFNDDK-UHFFFAOYSA-N 202.257 2.795 0 40 BFAB COc1ccc2cc(C[C@@H](C)O)ccc2c1 38654806 NOJXSJQHHXNLHP-SNVBAGLBSA-N 216.280 2.772 0 40 BFAB Cc1ccc(-c2ccc(C(=O)O)cn2)cc1 39927691 SBZIVZCDYSNVSC-UHFFFAOYSA-N 213.236 2.755 0 40 BFAB CCCn1c(CCN)nc2ccc(Cl)cc21 40417586 FMYYKIVJQAUZIB-UHFFFAOYSA-N 237.734 2.601 0 40 BFAB CC(C)c1ccc(OC[C@H]2CCNC2)cc1 42773203 LQPHJKBOQSXHRD-LBPRGKRZSA-N 219.328 2.798 0 40 BFAB C[C@H](CC(=O)Nc1cc[nH]n1)c1ccc(F)cc1 49449499 LZVJUWYYNUZCQJ-SECBINFHSA-N 247.273 2.681 0 40 BFAB Cc1noc(C)c1C(=O)N1CCC[C@@H](C)CC1 62927499 MEGOKIMJGBCBPG-SECBINFHSA-N 236.315 2.554 0 40 BFAB c1cc(NC2CCCC2)ncc1[C@@H]1CCCN1 72213940 QKGZPCBRCDBUGK-ZDUSSCGKSA-N 231.343 2.861 0 40 BFAB OCc1ccc(SC2CCCCC2)nc1 72225715 MYGLBSVGAVXTFX-UHFFFAOYSA-N 223.341 2.999 0 40 BFAB CCc1nc(C)c([C@H](C)N(C)CCOC)s1 76040335 RUDJXWYCDLNTSP-JTQLQIEISA-N 242.388 2.653 0 40 BFAB O=C(NC1(c2ccccc2)CC1)c1cscn1 78483322 BGNWUHBJOQUQDA-UHFFFAOYSA-N 244.319 2.562 0 40 BFAB c1cc([C@@H]2CCCNC2)n(C2CCCCC2)n1 95095605 HATUFMUPEKJASB-GFCCVEGCSA-N 233.359 2.855 0 40 BFAB in-vitro Cc1ccc(/C=C/C(=O)N[C@@H](C)C(C)(C)C)cn1 95465645 ANVXMRKOYXXDQC-BCPZQOPPSA-N 246.354 2.954 0 40 BFAB COC(=O)c1cccc(Nc2nccs2)c1 96761311 CZDGJYHDXKJDKI-UHFFFAOYSA-N 234.280 2.673 0 40 BFAB CC(C)/C=C\[C@H](C)C(=O)CC(=O)OC(C)C 104114506 MZEAWAJQXIIKCI-ZADCQDASSA-N 226.316 2.746 0 40 BFAB Cc1cc(C)c2c(Br)n[nH]c2c1 162972684 IGBWWINKUYXCIG-UHFFFAOYSA-N 225.089 2.942 0 40 BFAB CC[C@H](NC(=O)COC)c1ccc(C)c(C)c1 224614415 RQZGHTKCIRDYKG-ZDUSSCGKSA-N 235.327 2.517 0 40 BFAB CCN(CC)C(=O)c1c[nH]c2ccc(OC)cc12 228928214 BNOWGBKOGNXCHD-UHFFFAOYSA-N 246.310 2.659 0 40 BFAB CSc1ccc2[nH]c(C)c(C)c(=O)c2c1 685938576 WLPAYHDPFZGTFQ-UHFFFAOYSA-N 219.309 2.867 0 40 BFAB FC(F)(F)C1(c2c[nH]c3ncccc23)N=N1 1504244706 BQSAPJYOGLDKKR-UHFFFAOYSA-N 226.161 2.744 0 40 BFAB C[C@H]1CCCCN1C(=O)c1ccccc1F 304531 IIWANWHRNWXCRK-JTQLQIEISA-N 221.275 2.840 0 40 BFAB Cc1ccc(C(=O)N2CCCCC2)c(C)c1 514594 CXMRCSVRPLGCHR-UHFFFAOYSA-N 217.312 2.930 0 40 BFAB CC(C)N(C(=O)c1ccccc1O)C(C)C 1653130 YEOPIHMFSMEJPH-UHFFFAOYSA-N 221.300 2.651 0 40 BFAB C[C@@H]1CC[C@]23[C@@H]1C[C@H](C[C@H](O)[C@@]2(C)O)C3(C)C 1708734 FEZBVLJUJBICLN-OYFKMHTJSA-N 238.371 2.581 0 40 BFAB C/C(=C/C(=O)Nc1cccc(F)c1)N1CCCC1 3050242 IUBLTNXCXMYGQK-LUAWRHEFSA-N 248.301 2.764 0 40 BFAB COc1ccc(C)c2sc(NC(C)=O)nc12 4330731 KICCUUDZNANHMZ-UHFFFAOYSA-N 236.296 2.572 0 40 BFAB CCCCC(=O)Nc1cccc(OC)c1 4666180 GTOPUAOSJZXWID-UHFFFAOYSA-N 207.273 2.824 0 40 BFAB C[C@@H]1CN(CCc2ccccc2)[C@H](C)CC1=O 4831872 OCHGEROFEPMAMC-CHWSQXEVSA-N 231.339 2.529 0 40 BFAB C[C@H](O)c1nc2c3ccccc3ccc2n1C 6437512 ODRBHRKZBLVVEH-VIFPVBQESA-N 226.279 2.780 0 40 BFAB CCN(C(=O)c1ccccc1N)c1ccccc1 10012981 ZUZWUZRAIHASNW-UHFFFAOYSA-N 240.306 2.936 0 40 BFAB CC12CCC(CC1)C(C)(C)N=C(N)S2 11525669 ARZRFLIUCWJGRK-UHFFFAOYSA-N 212.362 2.775 0 40 BFAB CCCC(=O)Nc1nnc(-c2cccc(C)c2)o1 12515717 MZMKWEZALHJMJP-UHFFFAOYSA-N 245.282 2.784 0 40 BFAB Clc1ccc2[nH]c([C@@H]3CCCNC3)nc2c1 19737159 WPOKRRBNLJALRX-MRVPVSSYSA-N 235.718 2.683 0 40 BFAB C[C@H](CNCc1cccnc1)c1ccccc1 20137012 NGMWRVIKGUNULO-CYBMUJFWSA-N 226.323 2.975 0 40 BFAB O=Cc1c(C(F)(F)F)ccc(F)c1F 21298407 MYHUUTUSTXSLEA-UHFFFAOYSA-N 210.101 2.796 0 40 BFAB Cc1cccc(N(C)C(=O)OC(C)(C)C)n1 21987249 UZRQBXOOMIFFLB-UHFFFAOYSA-N 222.288 2.761 0 40 BFAB CC(C)C(=O)Nc1cc(C(C)(C)C)on1 27925283 SIPKOMRKJGMRLM-UHFFFAOYSA-N 210.277 2.567 0 40 BFAB O=S(=O)(/C=C\C(F)(F)F)c1ccccc1 33374166 MXCAYGIFNXCLMK-SREVYHEPSA-N 236.214 2.536 0 40 BFAB Cc1cc(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)on1 36398250 MPWXEORNXXWOME-RYUDHWBXSA-N 248.326 2.778 0 40 BFAB O=C(O)c1cc(Nc2ncccn2)ccc1Cl 37642051 DWXDSXDFBPGMGS-UHFFFAOYSA-N 249.657 2.572 0 40 BFAB CCCNC(=O)Cc1ccc2c(c1)CCCC2 40161964 QNFDSDGJZZEBIE-UHFFFAOYSA-N 231.339 2.634 0 40 BFAB O=C(C1CCCC1)N1CCC[C@H](C(F)(F)F)C1 40462022 NOYVMDDMOFZOFS-JTQLQIEISA-N 249.276 2.978 0 40 BFAB CC[C@@H](C)C(=O)Nc1ccc(OC)c(F)c1 40542268 SEKSKQFAATYFTI-MRVPVSSYSA-N 225.263 2.819 0 40 BFAB C[C@H](c1cccc(Cl)c1)N1CCC[C@H](N)C1 41027683 BPSRIOXFNLJBPC-MFKMUULPSA-N 238.762 2.824 0 40 BFAB Cc1ccc(C(=O)c2ncco2)cc1C 43210582 WWQAOVYGIPDHBN-UHFFFAOYSA-N 201.225 2.522 0 40 BFAB Cc1ccc([C@H](C)NC(=O)C2CC2)cc1 45174381 OALFUSUSGQENFL-JTQLQIEISA-N 203.285 2.582 0 40 BFAB Cn1cc(-c2cccc(Br)c2)cn1 49828413 VWVZNEJHFOFOQP-UHFFFAOYSA-N 237.100 2.850 0 40 BFAB CCc1c(C)nc(Nc2ccc(F)cc2)[nH]c1=O 57330679 LTNURAMGCHEKGR-UHFFFAOYSA-N 247.273 2.523 0 40 BFAB CCCN1CCN(C/C=C/c2ccccc2)CC1 58887691 FWLMVMHNDQOPQB-RMKNXTFCSA-N 244.382 2.727 0 40 BFAB C[C@@H](O)[C@@H](C)c1nc2ccccc2s1 63039734 IPIQXWOAAIBYKG-HTQZYQBOSA-N 207.298 2.781 0 40 BFAB in-vitro CC[C@@H](C)NC(=O)NCCCNc1ccccc1 65529126 PEESPVBHPIXWIL-GFCCVEGCSA-N 249.358 2.586 0 40 BFAB N[C@H]1C[C@H]1c1ccc(-c2ccccc2F)o1 70452931 MBQNDLPEUBCBCX-KOLCDFICSA-N 217.243 2.900 0 40 BFAB C[C@H](N)c1cn(C)c2cc(Cl)ccc12 71492818 OMCQSAHXFGWBFY-ZETCQYMHSA-N 208.692 2.851 0 40 BFAB Fc1ccc(-c2c[nH]nc2[C@H]2CCCN2)cc1 72187637 YMBAMYRSJRDEFE-GFCCVEGCSA-N 231.274 2.640 0 40 BFAB Cc1ccc2cc3c(nc2c1C)OCCN(C)C3 72392257 LJEOZSIVIGCPHG-UHFFFAOYSA-N 242.322 2.676 0 40 BFAB Clc1ccnn1CCc1ccccc1 95094221 IPZOMWHDBBEINK-UHFFFAOYSA-N 206.676 2.779 0 40 BFAB Cc1ccc([C@H](O)c2cccn2C)cc1F 95727800 SCJPCUVGDYZJRI-ZDUSSCGKSA-N 219.259 2.554 0 40 BFAB CC(C)[C@@](C)(O)c1cc(F)c(F)c(F)c1 95739228 XWIDWJIJXXPLHV-LLVKDONJSA-N 218.218 2.967 0 40 BFAB CC(C)[C@@H](C)Nc1ccn(CC(F)F)n1 95991517 XSDVQIIJNRYCOO-MRVPVSSYSA-N 217.263 2.605 0 40 BFAB C1CCN[C@@H](c2noc(CCC3CC3)n2)CC1 96001512 XGVMUYVCCHWVFM-LLVKDONJSA-N 235.331 2.617 0 40 BFAB CC[C@H](C)NC(=O)[C@@H](C)c1ccccc1 96319167 FVOVRIBKKZMJNZ-QWRGUYRKSA-N 205.301 2.705 0 40 BFAB COc1cc(C)c(C)c2c1CCCC2=O 96332038 FLRSCMNVXRWMJM-UHFFFAOYSA-N 204.269 2.831 0 40 BFAB CC[C@@H](C)NC(=O)CCc1ccc(OC)c(C)c1 225163257 JSYAZHMRWIMDIN-GFCCVEGCSA-N 249.354 2.851 0 40 BFAB CCCCCNCc1ccn(CCC)n1 256051576 JSOFXUNYOAJNBV-UHFFFAOYSA-N 209.337 2.573 0 40 BFAB CC(F)(F)CNc1ncc(Cl)cc1F 306279374 SAFGYJADGHTHJS-UHFFFAOYSA-N 224.613 2.941 0 40 BFAB CC(C)CCC[C@H](C)NC1CSC1 308131759 BHXVGNAHJDTSRP-JTQLQIEISA-N 201.379 2.906 0 40 BFAB Cc1nc(OCc2ccccn2)sc1C 585651639 FZTYMIIPCGVJMR-UHFFFAOYSA-N 220.297 2.734 0 40 BFAB c1ccc2nc(O[C@@H]3CCSC3)cnc2c1 585652137 LCYJNDNHLSEKDO-SECBINFHSA-N 232.308 2.514 0 40 BFAB S=C(NCc1ccccc1)NC1CCCCC1 66610 WUJPBZFYSNBQRH-UHFFFAOYSA-N 248.395 2.983 0 40 BFAB CCNC(=S)N1CCCC[C@H]1c1cccnc1 240137 QEMLEJSHYKWWAX-LBPRGKRZSA-N 249.383 2.503 0 40 BFAB biogenic CCOc1ccc(C(=O)NC(C)(C)C)cc1 288456 QMWNCXWMWTUVJK-UHFFFAOYSA-N 221.300 2.614 0 40 BFAB Cc1cc(N)n2nc(C)c(-c3ccccc3)c2n1 794236 NTSHQXQHVLGYOP-UHFFFAOYSA-N 238.294 2.595 0 40 BFAB CCC[C@H](C)C(C)(C(=O)OCC)C(=O)OCC 5561023 WQZHVOLDWXWHOK-JTQLQIEISA-N 244.331 2.555 0 40 BFAB Cc1ccc([C@]2(O)C[C@H](C)N(C)C[C@H]2C)c(C)c1 5578385 BNPBCKRXUQEEPS-YCPHGPKFSA-N 247.382 2.851 0 40 BFAB COC[C@@H](C)OC(=O)c1ccccc1Cl 8602903 BMBFQEHWEOSSHA-MRVPVSSYSA-N 228.675 2.532 0 40 BFAB Cc1cnc(NC(=O)CCc2ccco2)s1 12753248 OYFOVEHAZPAIHT-UHFFFAOYSA-N 236.296 2.616 0 40 BFAB COc1ccccc1NC(=O)C[C@H]1C=CCC1 14633129 NBSKZRMBROWDNS-NSHDSACASA-N 231.295 2.990 0 40 BFAB O=C(Nc1ccccc1O)/C(Cl)=C\Cl 16979936 XNCHLRKAWOAMGL-AATRIKPKSA-N 232.066 2.650 0 40 BFAB Cc1ccc(C(=O)Nc2ncc(C)s2)c(O)c1 19839537 TYCUAIUEYOHFMI-UHFFFAOYSA-N 248.307 2.718 0 40 BFAB Cc1c(N)cccc1C(=O)Nc1cccc(F)c1 20194618 OZFFAMNDGIYLRO-UHFFFAOYSA-N 244.269 2.969 0 40 BFAB CCc1cc(Br)cc(C=O)c1O 22053181 OUNXRNHPGAETOZ-UHFFFAOYSA-N 229.073 2.530 0 40 BFAB in-vitro CCC(CC)NC(=O)N[C@@H](C)c1ccccn1 32809180 WXKVNWFDUBVEFC-JTQLQIEISA-N 235.331 2.630 0 40 BFAB C[C@H]1Cc2c(Br)cccc2N1 34415647 RQOFKQBDCQRSSY-LURJTMIESA-N 212.090 2.806 0 40 BFAB COC(=O)c1ncccc1-c1ccccc1 34623110 XFIIGQCBBAWRHR-UHFFFAOYSA-N 213.236 2.535 0 40 BFAB O=C1Cc2cc(Br)c(Cl)cc2N1 35359323 CMVLRCJWRRXOJN-UHFFFAOYSA-N 246.491 2.597 0 40 BFAB in-vitro CCc1ccc(CNC(=O)c2ccoc2)s1 36392990 UWOXHFIVJVXSNA-UHFFFAOYSA-N 235.308 2.834 0 40 BFAB C[C@H](CO)N[C@H](c1cccs1)C1CCCC1 37258893 GGFHTFHUEGITRR-MFKMUULPSA-N 239.384 2.950 0 40 BFAB CNCc1cc(Cl)ccc1Br 38534322 JHGLFGRVJLJVDT-UHFFFAOYSA-N 234.524 2.822 0 40 BFAB C/C=C/C=C/C(=O)Nc1cc(OC)ccc1OC 40459732 CCFZWYHDNAYWIF-YTXTXJHMSA-N 247.294 2.775 0 40 BFAB CCOc1cccc(C(=O)C(F)(F)F)c1 43505012 BNSDGVCHHGBGJG-UHFFFAOYSA-N 218.174 2.830 0 40 BFAB Cc1cc(C(=O)NC[C@H](C)c2ccccc2)no1 43700908 CGLKDCAKPXKWQC-JTQLQIEISA-N 244.294 2.517 0 40 BFAB Cc1nc2cc(N)ccc2n1CC(C)C 52842073 GOOUJBCVRLGBTM-UHFFFAOYSA-N 203.289 2.583 0 40 BFAB CSc1ccc([C@H]2CCCN2C)cn1 72216867 ISKHXJIFWZYZAN-SNVBAGLBSA-N 208.330 2.570 0 40 BFAB Cc1cc(CO)cnc1N(C)Cc1ccccc1 72222349 FQLCUUAQHSBGEA-UHFFFAOYSA-N 242.322 2.519 0 40 BFAB CC[C@@H](N)COCc1cccc(Cl)c1 74496247 NLLQBPINGAULII-LLVKDONJSA-N 213.708 2.594 0 40 BFAB CC(=O)N1C[C@H](C)Sc2ccccc21 74878743 YGOYDEBWIQZSHX-QMMMGPOBSA-N 207.298 2.534 0 40 BFAB CC(C)(C)n1ccc(NC(=O)[C@@H]2CC=CCC2)n1 75134287 LSMTYSLUHZXOPB-LLVKDONJSA-N 247.342 2.933 0 40 BFAB O=Cc1ccc2c(cnn2[C@H]2CCCCO2)c1 79018029 IMFNYPRXCHGOJX-CYBMUJFWSA-N 230.267 2.548 0 40 BFAB O=C(Nc1ccccc1)c1cnc2ccccn12 80443262 LEKZXJRXEXOTKR-UHFFFAOYSA-N 237.262 2.587 0 40 BFAB CCn1cc(N[C@H](C)c2nc(C(C)C)no2)cn1 97139835 AYHVYBDNIGUQIM-SECBINFHSA-N 249.318 2.583 0 40 BFAB CCCCCC[C@@H](CCC(=O)O)C(=O)O 164036978 MZSHZQAODGHFPQ-VIFPVBQESA-N 216.277 2.522 0 40 BFAB biogenic,in-vitro Fc1ccc(CN[C@H]2CCC[C@H]2F)c(F)c1 378787367 HGQNTYXSZPBTPL-PWSUYJOCSA-N 229.245 2.945 0 40 BFAB CCOC(=O)c1c(Cl)cnn1[C@H](C)CC 408717181 WPZWSZUGPLZCMA-SSDOTTSWSA-N 230.695 2.684 0 40 BFAB c1csc(OCc2ccc3c(c2)CCO3)n1 585652376 ZAPFMSZPPMRMQC-UHFFFAOYSA-N 233.292 2.657 0 40 BFAB Cc1c(F)cc(Br)c(C=O)c1F 642814317 FCZTVKMRAPETSG-UHFFFAOYSA-N 235.027 2.848 0 40 BFAB CCN(CC)C(=O)c1cc(C)cc(C)c1 496649 UROJKXMFIZCRIF-UHFFFAOYSA-N 205.301 2.785 0 40 BFAB CCOP(=O)(OCC)O[C@H](C)CC 1732665 XAHIQDKGLKWBKK-MRVPVSSYSA-N 210.210 2.983 0 40 BFAB FC(F)(F)[C@H]1C[C@H](C2CC2)Nc2ccnn21 2766446 LDDDMXZXZTZPGS-HTQZYQBOSA-N 231.221 2.581 0 40 BFAB NNc1nc(-c2ccccc2)c2ccccc2n1 4071046 AJXCZPNRCFUDOC-UHFFFAOYSA-N 236.278 2.582 0 40 BFAB Cc1ccc(C(=O)CCC(=O)NC2CC2)cc1C 8077326 QTVCVDDAAGWEET-UHFFFAOYSA-N 245.322 2.545 0 40 BFAB COc1ccc(C)cc1[C@@H](C)NC(=O)C1CC1 8129568 SWTSAUWLBPIWNT-SNVBAGLBSA-N 233.311 2.591 0 40 BFAB C[C@H](NC(=O)/C=C/c1cccc(F)c1)C1CC1 8704086 CMDPYFDXJATNOQ-YVFTVSHDSA-N 233.286 2.754 0 40 BFAB Cc1ccc(-c2noc(-c3cc(C)n[nH]3)n2)cc1 8793595 JCFYCZDDGSUPJH-UHFFFAOYSA-N 240.266 2.744 0 40 BFAB C[C@H](NC(=O)c1n[nH]cc1Cl)c1ccccc1 12649526 ZGLSUEOBTSRJBL-QMMMGPOBSA-N 249.701 2.554 0 40 BFAB Cc1ccc(C(=O)N2CCc3ccccc32)cn1 13021800 VIKPGOBEDPQEPS-UHFFFAOYSA-N 238.290 2.593 0 40 BFAB Cc1ccccc1CCNC(=O)c1ccccc1 14244974 YFOOXXIPDIKVDR-UHFFFAOYSA-N 239.318 2.968 0 40 BFAB Fc1ccc(CNCCc2ccccn2)cc1 19916357 REKLQODJCBDRBN-UHFFFAOYSA-N 230.286 2.553 0 40 BFAB in-vitro CCCn1ccc(NCc2cccc(OC)c2)n1 20350476 RAXNWDCLXJJKHD-UHFFFAOYSA-N 245.326 2.914 0 40 BFAB COCC(=O)c1ccc(C)c2ccccc12 36182889 ZQAGYENWGPXEFU-UHFFFAOYSA-N 214.264 2.977 0 40 BFAB CC1CCC(NC(=O)/C=C/c2cccnc2)CC1 36396976 HOFMMAUNLXCSQX-RMKNXTFCSA-N 244.338 2.790 0 40 BFAB Cc1ccc(-n2nc(C(C)C)cc2N)cc1 37295071 POVNIOLRQWADGS-UHFFFAOYSA-N 215.300 2.886 0 40 BFAB in-vitro NC[C@H](c1ccccc1Cl)N1CCCCC1 38827589 JXPVNRYDOXUXGA-CYBMUJFWSA-N 238.762 2.826 0 40 BFAB CC(C)CC(=O)N[C@H](C)Cc1cccs1 38935399 HSEWHWVWGVVKQS-SNVBAGLBSA-N 225.357 2.841 0 40 BFAB OCc1nc(-c2ccc3c(c2)CCC3)cs1 49822120 JVSQBBHTRWFLSM-UHFFFAOYSA-N 231.320 2.791 0 40 BFAB CC(=O)Nc1cccc(NC(=O)C2CCC2)c1C 71846069 QXIXGYOBQZCXIO-UHFFFAOYSA-N 246.310 2.692 0 40 BFAB O=CN1CCC[C@H]1c1ccc2ncccc2c1 72221774 UGOQFJHYXNKDDL-AWEZNQCLSA-N 226.279 2.528 0 40 BFAB Cc1cc(N2CCCCCC2)ncc1[C@H](C)N 72223531 KSMPCOXRWNZOLC-LBPRGKRZSA-N 233.359 2.790 0 40 BFAB C[C@@H](N)c1ccc(OCc2ccccc2)nc1 72225394 VCEISJDRIDFSMS-LLVKDONJSA-N 228.295 2.680 0 40 BFAB Clc1nc(N2CCCCCC2)ns1 83646022 YCYKRAZAHOTDKF-UHFFFAOYSA-N 217.725 2.572 0 40 BFAB O=C(O)CCc1cccc(F)c1Br 84567017 FFQDRRNENZOKLU-UHFFFAOYSA-N 247.063 2.605 0 40 BFAB C[C@@H](Oc1ccccc1N)C(F)(F)F 85421141 IAJZFSCHMAQIEK-ZCFIWIBFSA-N 205.179 2.598 0 40 BFAB in-vitro Cc1cc(NC(=O)[C@H](C)c2ccccc2)no1 85423502 ZAZINBJTGAGIRT-SNVBAGLBSA-N 230.267 2.725 0 40 BFAB CC(C)(C)CC(=O)N1CCC[C@H](c2ccn[nH]2)C1 89642985 LVESTZPYPQUMEJ-NSHDSACASA-N 249.358 2.552 0 40 BFAB Cc1cc(C[C@@H](C)N[C@H]2CCCC2(C)C)n[nH]1 90533966 BXYQTXYPFCLRCB-MFKMUULPSA-N 235.375 2.817 0 40 BFAB Nc1ccc(OCC2CC2)cc1Br 95095544 CUXIBHMSLCACMR-UHFFFAOYSA-N 242.116 2.820 0 40 BFAB Cc1cccc([C@H](OCC(=O)O)C(F)(F)F)c1 95096403 VNSLSJYTNHXRAR-JTQLQIEISA-N 248.200 2.700 0 40 BFAB Cn1cc(N)c(Oc2ccc(F)c(Cl)c2)n1 95836626 BTZFKNGZNHRTDU-UHFFFAOYSA-N 241.653 2.587 0 40 BFAB C[C@H](O[C@H]1CCNC1)c1cccc(Cl)c1 96529834 STXHYNPLEGBNMT-CABZTGNLSA-N 225.719 2.780 0 40 BFAB Cc1nccc(Sc2nc(C)c(C)o2)n1 97009677 PALVZOAKOPTFTO-UHFFFAOYSA-N 221.285 2.541 0 40 BFAB CC(C)NC(=O)[C@@H](C)SCC1CCCC1 97138553 KIVMQYSFIZBIEJ-SNVBAGLBSA-N 229.389 2.823 0 40 BFAB CC[C@@H](NN)c1cccc(C(F)(F)F)c1F 161800612 FAPYSNLZTAGELS-MRVPVSSYSA-N 236.212 2.759 0 40 BFAB CC(C)n1nc(Cl)c(Cl)c(Cl)c1=O 252489553 JTEPCAWQRZYBDH-UHFFFAOYSA-N 241.505 2.784 0 40 BFAB N#Cc1ccc(Nc2ccc(Cl)cc2)nn1 397035685 DZHQTIARPAFIEM-UHFFFAOYSA-N 230.658 2.745 0 40 BFAB O=C(Oc1ccc(F)cc1)c1ccco1 149039 KDLYSFNHJAEDBB-UHFFFAOYSA-N 206.172 2.638 0 40 BFAB CCOC(=O)c1ccc2cccc-2cc1 154483 PZACHSXAQGBGQE-UHFFFAOYSA-N 200.237 2.968 0 40 BFAB Cc1ccc2c(ccc(CC(=S)S)[n+]2C)c1 1561356 MPQRVXCNDLDKSH-UHFFFAOYSA-O 248.396 2.772 0 40 BFAB C[C@](O)(c1ccccc1)[C@H](O)c1ccccc1 1720246 KVDNJQJZESZZST-CABCVRRESA-N 228.291 2.628 0 40 BFAB in-vitro Cc1ccc(CNC(=O)c2ccc(C)o2)cc1 2737591 JUMLIEGYKDRHKM-UHFFFAOYSA-N 229.279 2.826 0 40 BFAB O=C1CS[C@@H](c2ccc(F)cc2)N1C1CC1 4218586 QIEZFSGRYQGRTO-LBPRGKRZSA-N 237.299 2.562 0 40 BFAB C[C@H]1CCC[C@@](O)([C@H](C(=O)O)c2ccccc2)C1 4692460 ZXADRCVGENLGTA-WHOFXGATSA-N 248.322 2.796 0 40 BFAB CCC(C)(C)NC(=O)c1ccc(NC(C)=O)cc1 4704395 JVVSKZLOGOWAJJ-UHFFFAOYSA-N 248.326 2.563 0 40 BFAB CCCCc1noc(N)c1SCC 5495730 DPJUWADAMFBNKZ-UHFFFAOYSA-N 200.307 2.711 0 40 BFAB CC(=O)N(C)Cc1nc2ccccc2n1C(C)C 9250272 RTDMAYYOPRHVBL-UHFFFAOYSA-N 245.326 2.596 0 40 BFAB O=C1Nc2ccccc2/C1=C\c1ccc(O)cc1 12568108 PLAOAGFXNCEZMZ-UKTHLTGXSA-N 237.258 2.885 0 40 BFAB in-vivo c1cncc(Cc2nc3ccccc3[nH]2)c1 13162890 VKNWKMBKSYIHLF-UHFFFAOYSA-N 209.252 2.549 0 40 BFAB CC1=CO[C@](C)([C@@H]2N[C@H](C)CC(C)(C)N2)CC1 19325712 OCRUJCNPOFTYIS-BZPMIXESSA-N 238.375 2.535 0 40 BFAB Cc1csc2nc(-c3cccc(N)c3)cn12 19767173 PWVMOAXXVZCWRT-UHFFFAOYSA-N 229.308 2.953 0 40 BFAB CCCCOC(=O)c1ccc(OCC)c(N)c1 20155550 SGBRIIBDGCEENJ-UHFFFAOYSA-N 237.299 2.624 0 40 BFAB CC[C@H](C)Oc1ccccc1/C=C/C(=O)O 20526607 YUJZBOIWYIYWLF-DDXVTDLHSA-N 220.268 2.962 0 40 BFAB in-vitro C[C@H](NC(=O)[C@H]1C[C@H]1C)c1cccs1 32986497 YQRNABVEFVCXDZ-VGMNWLOBSA-N 209.314 2.581 0 40 BFAB NNc1cc(Cl)c(Cl)c(Cl)c1 34408940 UNGXYLFIPXXYDT-UHFFFAOYSA-N 211.479 2.932 0 40 BFAB in-vitro Fc1ccccc1-c1ccnc(Cl)n1 38580178 RXRFHCCURMZMJW-UHFFFAOYSA-N 208.623 2.936 0 40 BFAB CC(C)=CC(=O)N1CCC[C@H]1c1ccncc1 40493628 FUGNZBOIRGEIFX-ZDUSSCGKSA-N 230.311 2.711 0 40 BFAB OC[C@H](c1ccccc1Cl)N1CCCCC1 41282805 CSQMQBPOLSMADV-CYBMUJFWSA-N 239.746 2.859 0 40 BFAB Fc1cc(Br)c2ocnc2c1 41568872 GEUJNCMHFBLMJS-UHFFFAOYSA-N 216.009 2.729 0 40 BFAB Cc1cccc(CN(C)Cc2cc(C)on2)c1 42132098 KIYUCBWBGWGDPZ-UHFFFAOYSA-N 230.311 2.923 0 40 BFAB CN[C@@H](COC)c1cccc(C(F)(F)F)c1 44044018 MLYOKIOAFOIIFT-JTQLQIEISA-N 233.233 2.612 0 40 BFAB in-vitro C[C@H]([C@H](O)c1ccccc1)N1CCCCC1 44119512 CYPOTTRENVPAPL-OCCSQVGLSA-N 219.328 2.594 0 40 BFAB CCOc1ccccc1C(=O)c1ccccn1 55240090 JXBASIZJZPUFEM-UHFFFAOYSA-N 227.263 2.711 0 40 BFAB C[C@@H](c1ccc2ccccc2n1)[C@@H](C)O 63039742 LLDUNGXDOXONAX-NXEZZACHSA-N 201.269 2.719 0 40 BFAB in-vitro Cc1cccnc1NCc1scnc1C 70837186 YQQUARRPJBIOKD-UHFFFAOYSA-N 219.313 2.767 0 40 BFAB CCN1CCCC[C@@H]1c1cccnc1NC 72212552 UDRGQNJODISMJB-GFCCVEGCSA-N 219.332 2.670 0 40 BFAB COc1ccc(F)cc1-c1cc(C)c(C(=O)O)[nH]1 75764360 OXSGXEJFQRMAII-UHFFFAOYSA-N 249.241 2.836 0 40 BFAB CCCC(=O)n1cc(C(=O)O)c2ccccc21 82542715 YMBQOEKDEGRFFP-UHFFFAOYSA-N 231.251 2.780 0 40 BFAB COc1ccc(CNc2cc(C)on2)c(OC)c1 83378386 CSDGBDQXNWHUIM-UHFFFAOYSA-N 248.282 2.612 0 40 BFAB CCC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OCC 84740602 YTWLYZARXLUWAX-UPJWGTAASA-N 241.375 2.887 0 40 BFAB CC[C@H](CCOC)CNC1CCCCC1 85396126 GQPJHVCNAASNAZ-GFCCVEGCSA-N 213.365 2.971 0 40 BFAB Cc1cc(Cn2cccn2)c2ccccc2n1 90713959 IEZLCIFXWCHWPH-UHFFFAOYSA-N 223.279 2.788 0 40 BFAB CCOC(=O)c1cnc2cccc(F)c2c1 91692870 IICZQOSGGGOLIB-UHFFFAOYSA-N 219.215 2.551 0 40 BFAB CC(=O)N(C)[C@H](c1ccc(F)cc1)C1CC1 95399678 PRFYHEAVJXWUSS-ZDUSSCGKSA-N 221.275 2.755 0 40 BFAB COc1ccc(N)c(OCc2ccccc2)c1 95942567 UJUHFHOHLITYEV-UHFFFAOYSA-N 229.279 2.856 0 40 BFAB in-vitro C=COCC(F)(F)[C@H](F)C(F)(F)F 98210627 BSJYZDIFFWAQGW-BYPYZUCNSA-N 208.101 2.682 0 40 BFAB C[C@]12CC3CC(n4cnnc4)(C1)C[C@](C)(C3)C2 100684846 KMONTHDUDIDOBV-CEUNDQEZSA-N 231.343 2.984 0 40 BFAB CC1(C)[C@@H]2CC[C@@]1(CS(O)(O)O)C(=O)C2 101035000 AOHRENLQCLCQJO-GMSGAONNSA-N 234.317 2.605 0 40 BFAB O=C(NCCc1ccccc1)[C@H]1C[C@@H]2CC[C@@H]1C2 102125673 YIFVFWQJUWDRFL-KFWWJZLASA-N 243.350 2.782 0 40 BFAB S=C(Nc1cccnc1)N[C@H]1C[C@@H]2CC[C@@H]1C2 102495169 ONMQNDJMGPVZQX-FOGDFJRCSA-N 247.367 2.557 0 40 BFAB Cc1ccc(C(=O)[C@H]2CCCC2=O)cc1 105748086 FKYCAUDUFLIHBQ-NSHDSACASA-N 202.253 2.547 0 40 BFAB C[n+]1cccc(-c2nc3ccc(Cl)cc3[nH]2)c1 141451957 PWENTKDNQYGDDA-UHFFFAOYSA-N 244.705 2.708 0 40 BFAB Nc1ccc2nc3c(nc2c1)[C@@H]1CC[C@H]3C1 217622467 UPAPBXDVEQUVGD-JGVFFNPUSA-N 211.268 2.577 0 40 BFAB CCCC[C@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 217848039 IDBAJSQTEYNMHP-QWRGUYRKSA-N 243.347 2.547 0 40 BFAB N[C@@H]1CCCC[C@@H]1Nc1cc(F)ccc1F 218865659 PIDZLGQUGGFAJB-MNOVXSKESA-N 226.270 2.647 0 40 BFAB Cc1ncn(C(C)C)c1Br 408715395 BDAUBIXUAMFDCC-UHFFFAOYSA-N 203.083 2.535 0 40 BFAB CN(C)[C@H]1CC=CC[C@@H](N(C)C)CC=CC1 1547138075 CSMNZRTUTXHIAI-OKILXGFUSA-N 222.376 2.533 0 40 BFAB Brc1cccc(-c2ncns2)c1 1772715710 VTPPEQCXXLFLQK-UHFFFAOYSA-N 241.113 2.968 0 40 BFAB Cc1ccc(C)c(NC(=O)C(F)(F)F)c1 482142 KFUHMDMHSVWBTG-UHFFFAOYSA-N 217.190 2.804 0 40 BFAB CCC1=NCCc2c1[nH]c1ccc(OC)cc21 519027 MHBXDINHHDTAND-UHFFFAOYSA-N 228.295 2.932 0 40 BFAB biogenic CCCCCCn1c(=O)[nH]c2ccccc21 2713418 IDTLKMNKJYQAMF-UHFFFAOYSA-N 218.300 2.910 0 40 BFAB Cc1ccc(N2C(=O)c3ccccc3[C@H]2O)cc1 4423495 UWHQATUHQVAVJT-CQSZACIVSA-N 239.274 2.646 0 40 BFAB O=C(O)[C@@H](c1ccccc1)[C@H](O)[C@H]1CC=CCC1 4683098 UUEPQVJAAMNTBT-MELADBBJSA-N 246.306 2.572 0 40 BFAB CN[C@H](C)c1cccc(C(F)(F)F)c1 8698419 JRSKXURJVQNHMS-SSDOTTSWSA-N 203.207 2.986 0 40 BFAB in-vitro Cc1cccc(NC2=NC(=O)SC2)c1 16754480 UOHZTZVRSZMUQT-UHFFFAOYSA-N 206.270 2.672 0 40 BFAB COc1ccccc1[C@@H]1NCCc2ccccc21 19624682 QCYWJYAVCVORST-MRXNPFEDSA-N 239.318 2.930 0 40 BFAB Cc1ccc(NC(=O)c2cc(F)cc(F)c2)nc1 21877112 CLJUADZCBATKQI-UHFFFAOYSA-N 248.232 2.921 0 40 BFAB Cc1ccccc1CCNC(=O)c1ccco1 23228659 PGZPXDXCHRZEQA-UHFFFAOYSA-N 229.279 2.561 0 40 BFAB Cc1[nH]c2ccccc2c1CC(=O)N1CCCC1 24538662 OPTCLAXBSKKVND-UHFFFAOYSA-N 242.322 2.641 0 40 BFAB C[C@H](N(C)Cc1ccc(C(N)=O)cc1)C(C)(C)C 27136013 KSBIBSUUNZJFHL-NSHDSACASA-N 248.370 2.652 0 40 BFAB Cc1ccc(C)c(NC(=O)N2CCSC2)c1 28232209 TWLXCXRYNFFRDP-UHFFFAOYSA-N 236.340 2.842 0 40 BFAB O=C(c1cccnc1)c1ccc(F)cc1F 34976531 NUYXUZIFJAOGBX-UHFFFAOYSA-N 219.190 2.591 0 40 BFAB in-vitro Nc1ccc(OC(F)F)c(Br)c1 39475959 CBBYQZYAYQUGIX-UHFFFAOYSA-N 238.031 2.633 0 40 BFAB COC(=O)c1cc(SC)ccc1Cl 42199486 PSHLXOIAMZQEIQ-UHFFFAOYSA-N 216.689 2.849 0 40 BFAB Cc1cccc(C(=O)N[C@@H](C)Cc2ccco2)c1 42381754 LLIVQYRDSZRCGS-LBPRGKRZSA-N 243.306 2.949 0 40 BFAB O=C(c1ccccn1)c1ccc(F)cc1F 43210489 ZVYATEOQCVIQDD-UHFFFAOYSA-N 219.190 2.591 0 40 BFAB CCc1cc(N)cc(C)c1Br 45889448 LIGFUTRGTDMQMG-UHFFFAOYSA-N 214.106 2.902 0 40 BFAB CCn1cc(Nc2cnc3ccccc3n2)cn1 48400198 ULOCKVIYHBNOOT-UHFFFAOYSA-N 239.282 2.590 0 40 BFAB COc1cccc(OC(=O)c2csc(C)n2)c1 65648459 GTGSQINKCPMBPM-UHFFFAOYSA-N 249.291 2.679 0 40 BFAB CCOc1ccc([C@H]2CCCCN2C(C)=O)cn1 72211814 RULLKNQGEFDAKU-CYBMUJFWSA-N 248.326 2.554 0 40 BFAB CCN1CCC[C@@H]1c1cnc(OC)c(C)c1 72217712 CRBBZPCPGOPPJN-GFCCVEGCSA-N 220.316 2.555 0 40 BFAB Cc1cc2c(cc1Br)NC[C@H](C)O2 72314760 STUKZTVEFCFQJX-ZETCQYMHSA-N 242.116 2.950 0 40 BFAB in-vitro Nc1nccc([C@@H]2CCCN2C2CCCCC2)n1 72356837 WWFIJWCOKDTZFK-ZDUSSCGKSA-N 246.358 2.528 0 40 BFAB CS[C@H]1CCC[C@@H]1N(C)Cc1cccnc1 76146263 LALKKMRVWINDPE-STQMWFEESA-N 236.384 2.798 0 40 BFAB C[C@@H](C(=O)N1CCCCC1)c1ccsc1 89913459 CUDGFIUWLJBWFA-SNVBAGLBSA-N 223.341 2.864 0 40 BFAB CC(=O)Cc1cc(C)c2cccc(C)c2n1 95096706 PHJIUEMJMCTBPP-UHFFFAOYSA-N 213.280 2.983 0 40 BFAB C[C@H](Cc1cccnc1)OC(=O)c1ccsc1 95463461 UBYKTTHGSHFBDI-SNVBAGLBSA-N 247.319 2.931 0 40 BFAB CC(C)(C)[C@H]1CC[C@H](C(F)(F)F)CN1 96509835 JRHFIUMBLINUGK-JGVFFNPUSA-N 209.255 2.963 0 40 BFAB CC[C@H](NC[C@H]1CC=CCC1)c1cnn(C)c1 97228313 JPPDOLXTYOMHSS-JSGCOSHPSA-N 233.359 2.817 0 40 BFAB CC[C@@H]1COCCN1C(=O)Nc1ccccc1C 98014196 ZDVTXTAOHFWTNE-GFCCVEGCSA-N 248.326 2.638 0 40 BFAB O=C(Nc1nccs1)[C@@H]1C[C@@H]2CC[C@@H]1C2 100917079 PHKMYNOCRCZCOU-IWSPIJDZSA-N 222.313 2.518 0 40 BFAB CN1C[C@@H](c2ccccc2)[C@@H]2NCCCCC[C@@H]21 205684474 QRDGIPDNCKKWSV-JYJNAYRXSA-N 244.382 2.616 0 40 BFAB CCCN1CCc2[nH]ccc2[C@H]1C(C)C 260825868 JSHQBIDFDDFINF-CYBMUJFWSA-N 206.333 2.980 0 40 BFAB Cc1ccnc(O[C@H]2CCc3ccccc32)n1 585652337 XLKQLZJJWQPEFQ-ZDUSSCGKSA-N 226.279 2.851 0 40 BFAB CC1(C)C(C(=O)Nc2nccs2)C1(C)C 126450 IBLIJDZOQZPCSP-UHFFFAOYSA-N 224.329 2.764 0 40 BFAB OCCN1c2ccccc2CCc2ccccc21 347217 NAZDAHJWPFCBJK-UHFFFAOYSA-N 239.318 2.916 0 40 BFAB Cc1ccc(C)c(NC(=O)c2cnoc2C)c1 385196 WFBFWKCJPPEAOP-UHFFFAOYSA-N 230.267 2.852 0 40 BFAB COC(CSCc1ccccc1)OC 1675912 UIOLSVUCZJRSOQ-UHFFFAOYSA-N 212.314 2.539 0 40 BFAB O=C1CCCC[C@@H]1CCc1ccncc1 2045660 ZFJZMLITADDWGG-GFCCVEGCSA-N 203.285 2.774 0 40 BFAB Cc1cccc([C@@H]2NC(=O)c3ccccc3O2)c1 5001180 MVWHUWWTGTXJDZ-OAHLLOKOSA-N 239.274 2.816 0 40 BFAB CCNCc1ccccc1C(F)(F)F 11920617 MYZBEWWDJGNIRQ-UHFFFAOYSA-N 203.207 2.815 0 40 BFAB in-vitro O=C(O)CCOc1cc(Cl)cc(Cl)c1 11955594 KCXNBTVQFJREHK-UHFFFAOYSA-N 235.066 2.847 0 40 BFAB NC[C@H](c1c[nH]c2ccccc12)C(F)(F)F 12360159 ROBYHWXPMKUOAE-SECBINFHSA-N 228.217 2.773 0 40 BFAB in-vitro CC1CCC(Nc2cccc(C(N)=O)c2)CC1 20124810 CBHURXUYBGLKDR-UHFFFAOYSA-N 232.327 2.776 0 40 BFAB CC[C@H](NCCCOC)c1ccc(OC)cc1 20142605 JOYGMHVPVHNNOM-AWEZNQCLSA-N 237.343 2.772 0 40 BFAB COC(=O)c1cccc(Cn2c(C)ccc2C)c1 20447557 KRKZKJKTQQCYCS-UHFFFAOYSA-N 243.306 2.940 0 40 BFAB C[C@H](C1CC1)N(C)c1ncnc2ccsc12 32906791 LSGZSUHZIDMBKU-MRVPVSSYSA-N 233.340 2.926 0 40 BFAB Cc1ccc(CN(C)C(=O)NCC2CC2)c(C)c1 32909455 ZQYALPLZBPNYPC-UHFFFAOYSA-N 246.354 2.855 0 40 BFAB Cc1cccc(CNCC2(O)CCCCC2)c1 37894963 XAIQUPASHDIVMV-UHFFFAOYSA-N 233.355 2.780 0 40 BFAB Cc1nc(F)cc(OC(C)(C)C)c1F 39075335 PNCSQGGYASYHBC-UHFFFAOYSA-N 201.216 2.846 0 40 BFAB CCOC(=O)C1=Cc2ccccc2CC1 39256527 DLWBMIPICBZTCL-UHFFFAOYSA-N 202.253 2.579 0 40 BFAB COc1cccc(COCC[C@H]2CCCNC2)c1 42773985 CKYOEQUWWVGGPB-CYBMUJFWSA-N 249.354 2.602 0 40 BFAB CC[C@H](C)c1ccccc1O[C@H]1CCNC1 42776234 KJHPKZFUUPNMPR-RYUDHWBXSA-N 219.328 2.941 0 40 BFAB COc1ccc(F)cc1C(=O)C(F)(F)F 43505019 NNVWNPUYOHONFK-UHFFFAOYSA-N 222.137 2.579 0 40 BFAB Cc1ccc(C(=O)c2ccc(F)cc2)cn1 45029062 PYMGCLMNBUCGOI-UHFFFAOYSA-N 215.227 2.760 0 40 BFAB Cc1ccc([C@@H](O)c2ccccn2)cc1C 53303717 IARDBEIAEZWSDG-CQSZACIVSA-N 213.280 2.780 0 40 BFAB COC1CCN(Cc2cccc(C)c2)CC1 53906856 GQFKYKXDMWNCFL-UHFFFAOYSA-N 219.328 2.606 0 40 BFAB CCc1ccccc1[C@H](O)c1ccoc1 68979256 UIPDSRZAXQIBGA-CYBMUJFWSA-N 202.253 2.924 0 40 BFAB CCCN(CCC)c1ccc(C=O)c(C)n1 72224318 TYCVXNVWYAIICP-UHFFFAOYSA-N 220.316 2.829 0 40 BFAB Cc1nc(N2CCCCCC2)ccc1[C@H](C)O 72224572 WQHMJWWHMPXONV-LBPRGKRZSA-N 234.343 2.824 0 40 BFAB NC(=O)Nc1ccc(OC2CCCC2)c(F)c1 76081803 OREOEKQIEWQTRI-UHFFFAOYSA-N 238.262 2.638 0 40 BFAB C[C@@H](c1cccnc1)N(C)Cc1ccccn1 93234639 KWMBEFLOIISRBC-LBPRGKRZSA-N 227.311 2.670 0 40 BFAB CSc1cccc(C(=O)CCCC(=O)O)c1 95634490 DGBVRIXSVNZUBQ-UHFFFAOYSA-N 238.308 2.846 0 40 BFAB CCOC(=O)C(=O)c1cc(F)ccc1C(F)F 95727126 XUDSFBHCCIYDJK-UHFFFAOYSA-N 246.184 2.509 0 40 BFAB CO[C@H](CNC(=O)C(C)(C)C)c1ccccc1C 96104906 LBEVDZDHVPXSQR-CYBMUJFWSA-N 249.354 2.845 0 40 BFAB O[C@@H]1CCC[C@@H]1n1ccc2ccccc21 96526880 DYBWYTIGJGHYAD-QWHCGFSZSA-N 201.269 2.727 0 40 BFAB Clc1cccc(CO[C@@H]2CCNC2)c1Cl 96529816 PRIBZLCQSNMGLG-SECBINFHSA-N 246.137 2.872 0 40 BFAB COC(=O)c1cc2ccccc2cc1F 196072628 CMHPMYBDWOALOJ-UHFFFAOYSA-N 204.200 2.766 0 40 BFAB CC[C@H](C(=O)O)N(CC)c1ccccc1F 224986750 RALDJKRDKODTFJ-SNVBAGLBSA-N 225.263 2.515 0 40 BFAB CCn1ncc(NCc2cccs2)c1C 256051582 JTDNJOGAESQJQF-UHFFFAOYSA-N 221.329 2.885 0 40 BFAB Cc1cccc(CC(=O)N2C3CCC2CC3)c1 588357866 CGZQGKSIVFFNGE-UHFFFAOYSA-N 229.323 2.691 0 40 BFAB CC[C@H]1Cc2c(O)ccc(Br)c2O1 616567668 NYHFPPLRTOEBKP-LURJTMIESA-N 243.100 2.868 0 40 BFAB CCN(CC)C[C@@H](O)CSc1cccs1 160141 QDWKEXRGGFNXKG-SNVBAGLBSA-N 245.413 2.543 0 40 BFAB C[C@H]1CCCc2c1oc1c(c2=O)CCCC1 384448 AHYATZNKVQSUPC-VIFPVBQESA-N 218.296 2.958 0 40 BFAB COc1ccccc1C(=O)Nc1ccc(C)cn1 482824 VMBVBLIZHPDVSX-UHFFFAOYSA-N 242.278 2.651 0 40 BFAB Cc1cc(SCC(=O)c2ccccc2)ncn1 1286614 FWOWKLRSRPGUQK-UHFFFAOYSA-N 244.319 2.760 0 40 BFAB CCC[C@H](OC(C)=O)c1ccc2c(c1)OCO2 1566537 SKTAXJVKOBDLFR-NSHDSACASA-N 236.267 2.820 0 40 BFAB Clc1ncnc2c1ncn2C1CCCC1 1566838 UHTKSLVKLNJYII-UHFFFAOYSA-N 222.679 2.595 0 40 BFAB CCOC(=O)[C@]1(C/C=C(\C)Cl)CCCC1=O 1630016 VIWRVBZAJJBCCD-LZGFCCKTSA-N 244.718 2.822 0 40 BFAB Cc1cccc(Nc2cc(=S)[nH]c(N)n2)c1 1682472 FPCLZDWMOIMBLK-UHFFFAOYSA-N 232.312 2.773 0 40 BFAB CCCCC(=O)OC[C@@H](C)OC(=O)CCCC 1694353 YQXQGZJZISGSBK-LLVKDONJSA-N 244.331 2.842 0 40 BFAB Cc1ccc(NC(=O)C(F)(F)F)c(C)c1 3100067 MFSPRVXZMOZECF-UHFFFAOYSA-N 217.190 2.804 0 40 BFAB biogenic O=C(N[C@@H]1Cc2ccccc21)c1ccccc1 3848195 CFFNONNRYUKBAC-CQSZACIVSA-N 223.275 2.714 0 40 BFAB biogenic C[C@@H](O)CCCCCCCCCC(=O)O 6036350 KQGAHNAFXMVSGY-LLVKDONJSA-N 216.321 2.963 0 40 BFAB biogenic,in-vitro COc1ccc(Cl)cc1[C@H](O)C(F)(F)F 8324323 HIXYZNAEMJPIPE-QMMMGPOBSA-N 240.608 2.944 0 40 BFAB C[C@@H]1Cc2ccccc2N1C(=O)c1ccco1 13596414 ULUVSOZMODOQCT-SNVBAGLBSA-N 227.263 2.871 0 40 BFAB CC(C)CNCc1cccc2[nH]ccc12 15423483 CMGZAQHYRRFJAU-UHFFFAOYSA-N 202.301 2.914 0 40 BFAB COc1cc(F)ccc1-c1csc(N)n1 16740085 ZLARVHHBLHKVDM-UHFFFAOYSA-N 224.260 2.540 0 40 BFAB CC(C)NCc1ccc(OC(F)F)cc1 19880361 RQJOJEQRVLYQSX-UHFFFAOYSA-N 215.243 2.786 0 40 BFAB CC(=O)Nc1cc(-c2ccc(CO)o2)ccc1C 20136422 CDWMZKNRLADLFH-UHFFFAOYSA-N 245.278 2.706 0 40 BFAB O=C1CCCc2nccc(-c3ccco3)c21 20479734 PDUXUXFGMRNXJC-UHFFFAOYSA-N 213.236 2.861 0 40 BFAB O=C(O)/C=C/c1ccccc1N1CCCCC1 20527106 QCVHOBODWAHNBB-CMDGGOBGSA-N 231.295 2.775 0 40 BFAB CCCc1ccccc1NC(=O)c1cnn(C)c1 24503322 KLUBISVLHAYSBG-UHFFFAOYSA-N 243.310 2.625 0 40 BFAB C[C@@H]1CCCC[C@@H]1NC(=O)Nc1nccs1 42738129 NCQOCTSLTFRBEN-BDAKNGLRSA-N 239.344 2.843 0 40 BFAB CCCc1ccccc1OC[C@@H]1CCNC1 42772642 ATZKJMUABOOHPV-GFCCVEGCSA-N 219.328 2.627 0 40 BFAB COc1cccc(C(=O)c2cccc(C)c2C)n1 45028771 CILPASKYFOLKQQ-UHFFFAOYSA-N 241.290 2.938 0 40 BFAB C[C@H](NC(=O)c1ccsc1)c1cccnc1 48325504 LYVZFPRSKJQJHR-VIFPVBQESA-N 232.308 2.634 0 40 BFAB C[C@H](c1nc(-c2ccccc2)no1)N1CCCC1 48368118 DHRTZBNYLAVWHX-LLVKDONJSA-N 243.310 2.893 0 40 BFAB CC[C@@H](C)NC(=O)Nc1cccc(COC)c1 58292020 TVTSVWQWTIUNOW-SNVBAGLBSA-N 236.315 2.753 0 40 BFAB CCN1CCO[C@@H](c2ccccc2Cl)C1 65612945 XRQOCOOOUBGDQN-GFCCVEGCSA-N 225.719 2.733 0 40 BFAB CCOC(=O)C[C@H](NC1CC1)c1ccc(C)cc1 72210288 RCDSIHPBKREHKB-AWEZNQCLSA-N 247.338 2.741 0 40 BFAB CC(C)CNc1ccc([C@H]2CCCN2)cn1 72213297 RWUGJSBMOJGCMQ-GFCCVEGCSA-N 219.332 2.574 0 40 BFAB CCCNc1ncc(C(=O)CC)cc1C 72222169 YHYPCWOTCCAOFW-UHFFFAOYSA-N 206.289 2.805 0 40 BFAB O=C(O)c1cc2sccc2nc1Cl 75623143 JTQYISCVZJCQCW-UHFFFAOYSA-N 213.645 2.648 0 40 BFAB in-vitro CCCc1csc(NC2CCOCC2)n1 77410534 HOGNSEAFMPMVDR-UHFFFAOYSA-N 226.345 2.687 0 40 BFAB C[C@@H]1CC(C)(C)N(C)c2cc(O)c(C=O)cc21 81223230 RJXNFWFYOYFLIP-SECBINFHSA-N 233.311 2.927 0 40 BFAB Cc1ccc([C@H](O)c2cccc(F)c2)o1 82675811 HRJDYVRADPBPHV-GFCCVEGCSA-N 206.216 2.809 0 40 BFAB CC[C@@H](N)COCc1ccc(OC(F)F)cc1 89263517 CUSUOTPUZSWAKA-SNVBAGLBSA-N 245.269 2.542 0 40 BFAB Cc1ccc(SCCn2ccnc2)cc1 89639268 GPTOTNKCCMYOOS-UHFFFAOYSA-N 218.325 2.984 0 40 BFAB Cc1cc(OCc2ccnc(Cl)c2)nnc1C 95389718 DWOGBTOVSYVBDW-UHFFFAOYSA-N 249.701 2.721 0 40 BFAB CC(=O)c1ccc(C(=O)OC2(C3CC3)CC2)cc1 96008761 KTEATKSUKBJWAM-UHFFFAOYSA-N 244.290 2.989 0 40 BFAB Cc1cccc(N2CCC(N(C)C(C)C)CC2)n1 97104557 VYKAJIIBQZWBQI-UHFFFAOYSA-N 247.386 2.699 0 40 BFAB CS[C@H](C)C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C 98010574 DIEXCLHTYSOWDB-KKOKHZNYSA-N 241.400 2.918 0 40 BFAB C[C@H](Cc1ccco1)NC(=O)[C@H]1C[C@H]2CC[C@H]1C2 105642974 NWDHQGZLEDTXGH-UHXUPSOCSA-N 247.338 2.763 0 40 BFAB Oc1cccc(N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 195576002 GXSAMNBVLABXQA-MCIONIFRSA-N 245.322 2.762 0 40 BFAB CCn1ncc(Br)c1COC(C)C 408716061 IKRHVAMCBYLZTG-UHFFFAOYSA-N 247.136 2.591 0 40 BFAB Cc1cccc(OC(=O)c2cccnc2)c1 241595 BUSZXQBIIPQKMP-UHFFFAOYSA-N 213.236 2.609 0 40 BFAB Cc1nc(C=O)c(Cl)n1-c1ccccc1 319629 KFTHIJNJMLHEPW-UHFFFAOYSA-N 220.659 2.647 0 40 BFAB CC(C)CC(=O)Nc1nnc(C(C)C)s1 322914 YHNSDBUAKRYSPR-UHFFFAOYSA-N 227.333 2.646 0 40 BFAB CCOc1cc(N2CCCCC2)ccc1C=O 4245517 KOZAFQQSYQHRDX-UHFFFAOYSA-N 233.311 2.888 0 40 BFAB CN(Cc1ccccc1)C[C@H]1C(=O)[C@H]2CC[C@@H]1C2 4578889 BWUZBNNHJQRYEW-QLFBSQMISA-N 243.350 2.734 0 40 BFAB O=C1CSC(Nc2ccc3ccccc3c2)=N1 5553099 OHXAADDPGLWMGZ-UHFFFAOYSA-N 242.303 2.881 0 40 BFAB c1c(-c2cc(C3CC3)[nH]n2)n[nH]c1C1CC1 8651721 VITNNAKQDVDKLD-UHFFFAOYSA-N 214.272 2.555 0 40 BFAB CCCCCCSc1ncc(C=O)cn1 8730892 ATMHCELYNUXBMQ-UHFFFAOYSA-N 224.329 2.962 0 40 BFAB Cc1n[nH]c(=S)n1-c1cccc2ncccc12 9420664 MLWGRTXWOPVOBM-UHFFFAOYSA-N 242.307 2.787 0 40 BFAB Cc1ccccc1CNC[C@H](O)c1ccccc1 16362693 YJRZKXAPWQZNKW-INIZCTEOSA-N 241.334 2.818 0 40 BFAB C[C@H](N)Cc1ccc(Cl)cc1Cl 19398943 WFXOKSCQUWGEEH-LURJTMIESA-N 204.100 2.883 0 40 BFAB in-vitro CCCc1noc2nc(C(C)C)cc(C(=O)O)c12 22170635 INSPTTWLLSRUFD-UHFFFAOYSA-N 248.282 2.997 0 40 BFAB CCOC(=O)c1cc(C(C)(C)C)ccc1O 26897433 FVGAOMHYLATWER-UHFFFAOYSA-N 222.284 2.866 0 40 BFAB CCc1cc(-c2cncnc2)ccc1NC(C)=O 32533137 XFADPSMUSRJWDX-UHFFFAOYSA-N 241.294 2.664 0 40 BFAB O=C(CCc1ccco1)N1CCCCCC1 32819991 XMEFIGXEELSCOP-UHFFFAOYSA-N 221.300 2.615 0 40 BFAB Clc1cc2c(nn1)-c1ccccc1OC2 34301688 CTTAKIWDRFXVBY-UHFFFAOYSA-N 218.643 2.689 0 40 BFAB in-vitro O=C1CCc2cc(Cl)cc(Cl)c2N1 34384149 OPOABTAJRWRTSQ-UHFFFAOYSA-N 216.067 2.878 0 40 BFAB O=C(O)CCc1cc(F)ccc1C(F)(F)F 38529617 JHDJFXXGNKFTSB-UHFFFAOYSA-N 236.164 2.862 0 40 BFAB CSc1ccc(-c2nc(CN)c(C)o2)cc1 39320613 VTHPFXLATFZJBE-UHFFFAOYSA-N 234.324 2.831 0 40 BFAB O=Cc1ccc2c(Br)cccc2n1 40537978 IROSPDHEVGTPIZ-UHFFFAOYSA-N 236.068 2.810 0 40 BFAB O=[N+]([O-])/C=C/c1ccc(N2CCCCC2)o1 42905311 BWEKBMHUKGCJHF-RMKNXTFCSA-N 222.244 2.517 0 40 BFAB C[C@@H](CC(C)(C)OC(N)=O)c1ccc(O)cc1 44563936 JGJGSCPOAJVDOF-VIFPVBQESA-N 237.299 2.760 0 40 BFAB Cc1ccccc1NC(=O)NCc1ccoc1 47687836 FBGIMUQOIQGORJ-UHFFFAOYSA-N 230.267 2.910 0 40 BFAB C[C@@H]1CCCCN1C(=O)NOCc1ccccc1 49339579 CQINDYWRBYYANL-GFCCVEGCSA-N 248.326 2.702 0 40 BFAB COc1ccc(-c2cccc(NC(C)=O)c2)cn1 67841333 UTDFUIDRRJVTTE-UHFFFAOYSA-N 242.278 2.716 0 40 BFAB CCc1ccccc1[C@@H](O)c1ccco1 68979262 CGTJFMGQTFPHQG-CYBMUJFWSA-N 202.253 2.924 0 40 BFAB C[C@H]1CC(C(=O)O)C[C@H](C)N1Cc1ccccc1 72206930 XQLOXEGMRWFFRY-RYUDHWBXSA-N 247.338 2.760 0 40 BFAB Cn1c(-c2ccccc2)cc2cc[nH]c(=O)c21 72266656 HSKUAZNCNMLDCC-UHFFFAOYSA-N 224.263 2.534 0 40 BFAB in-vitro CC(C)(C)OC(=O)N1C(=O)C[C@H]1C(C)(C)C 72481897 HKIDIVDBXIMOMQ-QMMMGPOBSA-N 227.304 2.569 0 40 BFAB COc1cccc([C@H](C)Sc2ncn[nH]2)c1 83595076 NVKSEHQZEIRVEE-QMMMGPOBSA-N 235.312 2.667 0 40 BFAB Clc1nc2ccnn2c2ccccc12 84304884 KWIZLLPTFZNCMK-UHFFFAOYSA-N 203.632 2.536 0 40 BFAB COc1cccc(-c2cccc(F)n2)c1 91364315 NSMFVBVFEVEVAF-UHFFFAOYSA-N 203.216 2.896 0 40 BFAB CC[C@H](c1ccccc1)[S@@](=O)CCCOC 95411032 LPUAGHXCLJHSTB-CZUORRHYSA-N 240.368 2.923 0 40 BFAB c1ccc(-c2ccc3c(c2)OCCO3)nc1 95728674 LVQQQRHSPXTJJT-UHFFFAOYSA-N 213.236 2.520 0 40 BFAB CCc1noc(C)c1C(=O)N[C@@H](CC)C(C)C 95954870 NZBDPNWPQCOXEG-JTQLQIEISA-N 238.331 2.710 0 40 BFAB O=Cc1ccc(Cl)nc1C(F)(F)F 95961652 OTSYHTUSHNJVSM-UHFFFAOYSA-N 209.554 2.566 0 40 BFAB in-vitro CCc1c(C)nn(-c2ccc(C)cc2)c1O 100164362 NCMYMNGYNLXKLM-UHFFFAOYSA-N 216.284 2.757 0 40 BFAB Cc1cccc(CC(=O)N2[C@H]3C=CC[C@H]2CC3)c1 211134778 ZQIKPHXNCTVFSK-GJZGRUSLSA-N 241.334 2.857 0 40 BFAB Cc1cc(F)cc(C2(CN)CCCC2)c1 215391999 KDJTZHJCRMCQTB-UHFFFAOYSA-N 207.292 2.905 0 40 BFAB CCC(C)(C)NC(=O)Cc1ccc(OC)c(C)c1 222746490 FHCBBCRERRNXSE-UHFFFAOYSA-N 249.354 2.851 0 40 BFAB CCCC(=O)Nc1c(Cl)cc(N)cc1OC 227146228 ZXKVIZUYBAXMLA-UHFFFAOYSA-N 242.706 2.669 0 40 BFAB CC(C)n1cc(CNc2ccnn2C(C)C)cn1 256050191 DCJVBDGEEOCZBU-UHFFFAOYSA-N 247.346 2.854 0 40 BFAB Cc1cc(N)ccc1N1Cc2ccccc2C1=O 256052430 NGIBREXQNLNFQV-UHFFFAOYSA-N 238.290 2.738 0 40 BFAB COC(=O)c1ccccc1C(=O)CC(C)C 258275762 IQUQUXHWOBZIOH-UHFFFAOYSA-N 220.268 2.702 0 40 BFAB C1=CO[C@@H](CNc2c[nH]c3nccc-3c2)CC1 1561007154 LWDRBAGEYCCUBB-GFCCVEGCSA-N 229.283 2.619 0 40 BFAB Cc1ccc2c(N(C)C)cc(N(C)C)nc2c1C 1573330 DKEPWOCGQMOBEB-UHFFFAOYSA-N 243.354 2.984 0 40 BFAB c1ccc(COCCN2CCCCC2)cc1 1670195 PRGBVSDUMPKRSA-UHFFFAOYSA-N 219.328 2.689 0 40 BFAB COC(=O)CC[C@@H](N)c1ccc2ccccc2c1 2580911 HDPBCLBAHCJTSO-CQSZACIVSA-N 243.306 2.793 0 40 BFAB CCCNC(=O)c1cccc(C(F)(F)F)c1 3134516 OPQNVKBIBGFOCD-UHFFFAOYSA-N 231.217 2.845 0 40 BFAB Cc1cc(Cl)c(=O)c(Cl)cc1C 3851567 ZHQFUYCHXYCRDT-UHFFFAOYSA-N 203.068 2.970 0 40 BFAB biogenic CC1(C)[C@@H]2CC[C@@]1(C)[C@](O)(c1ccccc1)C2=O 5119127 MGALRPPNRRTYLF-WQVCFCJDSA-N 244.334 2.899 0 40 BFAB c1ccc(C2=NN[C@@H](c3ccncc3)S2)cc1 5390945 WODZHWJWXIDFFS-CYBMUJFWSA-N 241.319 2.778 0 40 BFAB O=C1N/C(=C\Oc2ccccc2)c2ccccc21 6241302 AYNQMCPSOOAMQU-UVTDQMKNSA-N 237.258 2.807 0 40 BFAB Cc1ccc(NC(=O)NCCc2ccco2)cc1 9869968 GQWHSGWIUKDXGC-UHFFFAOYSA-N 244.294 2.952 0 40 BFAB Cc1ccccc1CC(=O)N(C)C1CCCC1 12926419 LSHPRTIQUCMDDQ-UHFFFAOYSA-N 231.339 2.939 0 40 BFAB Cc1ccc(C)c2c3c([nH]c12)-c1nonc1CC3 13126832 LSDFHVHVVIUVLC-UHFFFAOYSA-N 239.278 2.933 0 40 BFAB O=C1CCN(Cc2ccccc2)[C@@H]2CCC[C@H]12 14987476 DNNHYPIBLFCZEZ-UONOGXRCSA-N 229.323 2.630 0 40 BFAB in-vitro COc1ccc(C(=O)Nc2cccc(C)c2)cn1 16202856 YECJCMXNYVSPRS-UHFFFAOYSA-N 242.278 2.651 0 40 BFAB COc1ccc([C@@H]2CN[C@@H]3CCC[C@@H]32)cc1 19553957 IOHDMJKBWKLGRB-HZSPNIEDSA-N 217.312 2.551 0 40 BFAB Cc1ccc(O)c(Nc2cc(C)ncn2)c1 19794068 DXIKDPSNXPUNEN-UHFFFAOYSA-N 215.256 2.543 0 40 BFAB Nc1ccc(N2CCCC2)cc1C(F)(F)F 22150121 VBKPAONDJVLHIO-UHFFFAOYSA-N 230.233 2.888 0 40 BFAB O=C(O)c1c[nH]c2ccc(C(F)(F)F)cc12 26894692 KZSFTBYSLQGMRD-UHFFFAOYSA-N 229.157 2.885 0 40 BFAB CC(C)O[C@H]1OCN(C(C)(C)C)CC1(C)C 31749939 VQDNQEWMNSQLIJ-LLVKDONJSA-N 229.364 2.852 0 40 BFAB COc1ccc([C@@H](CN)N2CCCCCC2)cc1 32522360 CPASXXYSPZFNNT-OAHLLOKOSA-N 248.370 2.571 0 40 BFAB CCCn1nccc1C(=O)Nc1ccccc1C 32611527 FFDKAYCBIHIAPZ-UHFFFAOYSA-N 243.310 2.854 0 40 BFAB CC(C)(C)OC(=O)N1CCc2ccccc2C1 34469617 HTDOHIVUPFBSNR-UHFFFAOYSA-N 233.311 2.980 0 40 BFAB in-vitro Cc1cc(Br)nc(C(C)C)n1 35663842 JKOMARLDXIBDQB-UHFFFAOYSA-N 215.094 2.671 0 40 BFAB CCOC(=O)C/C=C/c1cccc(OC)c1 36449101 ZUIORIZXWHCMHC-FNORWQNLSA-N 220.268 2.662 0 40 BFAB NC1(c2ccc(OC(F)F)cc2)CCC1 36906432 CGRPBNQCSHONOI-UHFFFAOYSA-N 213.227 2.626 0 40 BFAB Fc1cc(F)cc(C[C@@H]2CCCNC2)c1 41225450 JGJRIZLTJLRMOO-VIFPVBQESA-N 211.255 2.507 0 40 BFAB in-vitro CN(Cc1ccco1)C(=O)Cc1cccs1 41296223 BFBIOHXFRBRHSD-UHFFFAOYSA-N 235.308 2.542 0 40 BFAB Cc1ccc(OC[C@H]2CCNC2)c(Cl)c1 42770874 IIUNWRPEASVUPN-JTQLQIEISA-N 225.719 2.637 0 40 BFAB C[C@H](c1cccc(Cl)c1)N1CCC(O)CC1 43220476 CMWYRYFCPOOSJX-SNVBAGLBSA-N 239.746 2.858 0 40 BFAB CC[C@@H](C)C(=O)NCc1ccccc1C 44895861 QCKDBNOYNGKQFL-SNVBAGLBSA-N 205.301 2.657 0 40 BFAB CCCNC(=O)N[C@@H](C)CCc1ccccc1 57580748 JEPGRUJTDNMKQE-LBPRGKRZSA-N 234.343 2.717 0 40 BFAB CN[C@H](C)Cc1ccccc1C(F)(F)F 63034177 ZSRJJIFPPXTXSE-MRVPVSSYSA-N 217.234 2.856 0 40 BFAB in-vitro C[C@H](NC(=O)Cc1cccs1)c1cccnc1 65585435 YIQLINHJYYQRSD-JTQLQIEISA-N 246.335 2.563 0 40 BFAB CCC(C)(CC)NC(=O)COC1CCCC1 71903643 QBUHBAJSSWZZAN-UHFFFAOYSA-N 227.348 2.641 0 40 BFAB O=CN1CCCC[C@H]1c1ccc(F)cc1 72221860 YFBYUFXSATVHKQ-LBPRGKRZSA-N 207.248 2.509 0 40 BFAB Cc1cc(C)c(C(=O)NC[C@@H]2CCCO2)cc1C 74951570 ZOBMRESSYIYDGK-ZDUSSCGKSA-N 247.338 2.521 0 40 BFAB Cc1cccc([C@H](C)Sc2ncn[nH]2)c1 78929141 VZAKRFCMANLXAB-VIFPVBQESA-N 219.313 2.966 0 40 BFAB COC(=O)[C@@](C)(c1ccccc1)N1CCCCC1 85393488 WJNPCNCJZVORFM-OAHLLOKOSA-N 247.338 2.561 0 40 BFAB CC[C@@H](C)CNCCc1ccc(NC(C)=O)cc1 89942230 WFJLESSNCRSSIX-GFCCVEGCSA-N 248.370 2.823 0 40 BFAB CC[C@H]1CCCCCN1C(=O)[C@H]1CCCOC1 89948272 JAZYCAXUYWLUOE-STQMWFEESA-N 239.359 2.594 0 40 BFAB C[C@@H](SCCc1ccccc1)C(=O)NC1CC1 95431609 BLDYTTQVXBMCCM-LLVKDONJSA-N 249.379 2.629 0 40 BFAB O=Cc1ccccc1CN1CCCCCC1 95738922 KLNNPKPBNDYWFG-UHFFFAOYSA-N 217.312 2.875 0 40 BFAB CC(C)CCOc1cc(F)ccc1C(=O)O 95739848 CQKYJDZBXGBHBH-UHFFFAOYSA-N 226.247 2.949 0 40 BFAB CC(C)=CCC[C@H](C)NC[C@]1(O)CCSC1 96478995 DTEJCKNIFINPIY-QWHCGFSZSA-N 243.416 2.579 0 40 BFAB C[C@H]1[C@@H](C)SCCN1C(=O)c1ccsc1 98010485 GDJVJNCMOWJSRA-DTWKUNHWSA-N 241.381 2.714 0 40 BFAB CCC(CC)NC(=S)Nc1ncccc1C 225801837 OOQGARMBZXZIHP-UHFFFAOYSA-N 237.372 2.865 0 40 BFAB Cc1cc(C)c2oc(-c3ccc[n+](C)c3)nc2c1 226774622 LHJNIKRGIQOUPJ-UHFFFAOYSA-N 239.298 2.936 0 40 BFAB Clc1cc(Cl)cc(C2CNC2)c1 238541569 BDISGULLQCZDFL-UHFFFAOYSA-N 202.084 2.680 0 40 BFAB O=C(N[C@H]1C[C@H]2CC[C@H]1C2)C1CCCCC1 247745090 QLUAISSKUYNJKR-DRZSPHRISA-N 221.344 2.872 0 40 BFAB CC(C)c1nnc(N2C[C@H]3CCC[C@@H]3C2)s1 301749056 HRNJUPABYDYXIG-NXEZZACHSA-N 237.372 2.898 0 40 BFAB Cc1nc(-c2noc([C@H]3C[C@H]4C=C[C@H]3C4)n2)co1 333858491 PGHJXVFDEXYHDL-GUBZILKMSA-N 243.266 2.713 0 40 BFAB CC[C@H](C)n1ncc(Br)c1COC 408716409 MRAODQRKCVQTNS-ZETCQYMHSA-N 247.136 2.763 0 40 BFAB CCc1ccccc1C(=O)CCCC(=O)OC 575357772 WSDQMAPLTVWGNO-UHFFFAOYSA-N 234.295 2.775 0 40 BFAB CC[C@H]1Cc2c(N)ccc(Br)c2O1 616567680 PDBXUUAAWCQOJK-LURJTMIESA-N 242.116 2.745 0 40 BFAB Cn1cnc(-c2cc(Cl)cc(Cl)c2)n1 2362801291 BHPAWMVRFLNCGK-UHFFFAOYSA-N 228.082 2.789 0 40 BFAB Cc1ncn(-c2ccccc2C(F)(F)F)n1 2362801841 UVQZUVNNRGERIM-UHFFFAOYSA-N 227.189 2.595 0 40 BFAB CC(=O)Nc1cccc2c1-c1ccccc1C2=O 156212 BDYZWJVQPFNPBV-UHFFFAOYSA-N 237.258 2.856 0 40 BFAB CCn1nccc1C(=O)Nc1cccc(C)c1C 800746 SEPJQOCOJHSYHW-UHFFFAOYSA-N 243.310 2.772 0 40 BFAB CC(C)(N)CO[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C 1591773 ZTZRQPXJOXZJCX-MISXGVKJSA-N 225.376 2.955 0 40 BFAB in-vitro Nc1ccc2c(c1)C(=O)c1c(F)ccc(F)c1-2 1662451 SBCSNZUCJRIQMY-UHFFFAOYSA-N 231.201 2.758 0 40 BFAB Cc1ccc(-c2ccccc2C(=O)O)o1 2525674 NZZBFUOEILKXDN-UHFFFAOYSA-N 202.209 2.953 0 40 BFAB CCCNC(=O)c1cc2cc(Cl)ccc2[nH]1 4680325 PQVMCBCKHIRLNG-UHFFFAOYSA-N 236.702 2.961 0 40 BFAB Cc1csc(NC(=O)CC(C)(C)C)n1 5700683 CSVJYHGYFHPUEI-UHFFFAOYSA-N 212.318 2.826 0 40 BFAB C[C@H](NC(=O)Nc1ccccc1F)C1CC1 12851001 ANKQPGPYCYJOPQ-QMMMGPOBSA-N 222.263 2.746 0 40 BFAB CSc1ccc(C)c(C(=O)N2CCCC2)c1 12926319 LHPVMDQFZVRECU-UHFFFAOYSA-N 235.352 2.953 0 40 BFAB CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 12971844 YNVGFGBOIKZXSE-UHFFFAOYSA-N 235.617 2.900 0 40 BFAB Cc1cc(C(=O)NC(C2CC2)C2CC2)c(C)o1 13003473 YVWWXXUUKOYADY-UHFFFAOYSA-N 233.311 2.815 0 40 BFAB CCCCNC(=O)[C@@H](C)Oc1cc(C)ccc1C 13710631 OUCYQJKYDLOROJ-CYBMUJFWSA-N 249.354 2.987 0 40 BFAB CCCc1nc(-c2ccc(F)cc2)no1 15768362 LYVHGAKCKRJSMG-UHFFFAOYSA-N 206.220 2.828 0 40 BFAB Cc1ccc([C@@H](NN)c2ccccc2)c(C)c1 19386817 VHWWOHIVMLHWIL-HNNXBMFYSA-N 226.323 2.856 0 40 BFAB CCCCN(CCC(=N)N)c1ccccc1 19505048 QMTVAMPVAZVREA-UHFFFAOYSA-N 219.332 2.619 0 40 BFAB CC[C@@H](C)Nc1ccc(OC)c(OC)c1 19908852 ANDNTVAZWIPHII-SECBINFHSA-N 209.289 2.914 0 40 BFAB COc1ccc(COCc2cccc(N)c2)cc1 19965626 LLBHXAMYNYNDML-UHFFFAOYSA-N 243.306 2.994 0 40 BFAB in-vitro O=C(O)c1nc(-c2ccccc2)n2ccccc12 20222666 GULMCONBFXFKFF-UHFFFAOYSA-N 238.246 2.700 0 40 BFAB CCCOc1c(Cl)cc(CO)cc1OC 20362881 MZUYDOLHHIPSRL-UHFFFAOYSA-N 230.691 2.630 0 40 BFAB COc1ccc2c(c1)CCCN2C(=O)[C@H]1C[C@@H]1C 32848575 MTOJIVWCQPDXOE-GWCFXTLKSA-N 245.322 2.630 0 40 BFAB Cc1ccc(C(=O)NCCc2cccc(F)c2)o1 40464846 YEXNFPXPJSGWPP-UHFFFAOYSA-N 247.269 2.700 0 40 BFAB Fc1ccccc1OCC[C@H]1CCCNC1 42772214 QZCSSUNDHTWAGT-LLVKDONJSA-N 223.291 2.594 0 40 BFAB c1coc(CSC[C@@H]2CCCCN2)c1 43495328 GJRBXYDPRGBMSJ-JTQLQIEISA-N 211.330 2.655 0 40 BFAB CCOc1ccc(OCC)c(/C=C/C(=O)O)c1 44201254 JVYJEAXNJIIKNC-VMPITWQZSA-N 236.267 2.582 0 40 BFAB Cc1ccc(C(=O)c2ccc(C)nc2)cc1 45029056 XCAPKIYMEMJROS-UHFFFAOYSA-N 211.264 2.929 0 40 BFAB CCOc1ccc(C=O)cc1C(F)(F)F 71398864 NGQLIMKJXPGLBN-UHFFFAOYSA-N 218.174 2.917 0 40 BFAB O=C(O)c1cc(Sc2ccccc2)on1 72221243 WZFHVYDNVDBKNN-UHFFFAOYSA-N 221.237 2.524 0 40 BFAB CCc1cc(C(=O)O)n(Cc2ccccc2)c1 78405076 UQRJDRSYORHBGY-UHFFFAOYSA-N 229.279 2.797 0 40 BFAB COCSc1nc2cc(C)ccc2o1 79072839 GAMRGWMSSAUTPH-UHFFFAOYSA-N 209.270 2.832 0 40 BFAB CCCCNC(=O)c1ccc(C)c(OCC)c1 84744599 SICGGUVWBTVLJZ-UHFFFAOYSA-N 235.327 2.924 0 40 BFAB C[C@H](O)c1cc(F)cc(C(F)(F)F)c1 95740125 XODJGUXJHGDPTL-YFKPBYRVSA-N 208.154 2.898 0 40 BFAB NC[C@H]1CCCCN1CCCC1CCCC1 96523608 XCTMDUXGPXQKCX-CQSZACIVSA-N 224.392 2.770 0 40 BFAB CCCCCCNCc1cnn(CCC)c1 116912067 HLLHFWMEAGHMFR-UHFFFAOYSA-N 223.364 2.963 0 40 BFAB Clc1ncnc(Cl)c1-c1ccncc1 166655470 OKKHZPSABBQLFK-UHFFFAOYSA-N 226.066 2.845 0 40 BFAB COc1cc(N)cc(Cl)c1Br 216843566 VUDHFWSXMMEOKX-UHFFFAOYSA-N 236.496 2.693 0 40 BFAB Nc1ccccc1N1CCCC(F)(F)C1 258062819 KUPPAPXIMYUBPU-UHFFFAOYSA-N 212.243 2.504 0 40 BFAB COc1ccc(Br)c2c1COCC2 616567936 YFRZISQLDUVHQU-UHFFFAOYSA-N 243.100 2.530 0 40 BFAB COc1ccccc1C(=O)N(C(C)C)C(C)C 75588 JIRXADQFESAWGU-UHFFFAOYSA-N 235.327 2.954 0 40 BFAB CCC/C(OC(C)=O)=C(/CCC)OC(C)=O 1696880 LUFHNWUPKQIOBY-VAWYXSNFSA-N 228.288 2.924 0 40 BFAB O=C(CC1CCCCC1)OC[C@H]1CCCO1 1696894 FTWOVEKHKHMZTF-GFCCVEGCSA-N 226.316 2.679 0 40 BFAB O=C1c2ccccc2Cc2cc(O)ccc21 1734079 QLROCUSETPHNGN-UHFFFAOYSA-N 210.232 2.527 0 40 BFAB C[C@@H]1CCCCN1C(=O)c1ccc(F)cc1F 3229852 GKEYHHSCTGBSCU-SECBINFHSA-N 239.265 2.979 0 40 BFAB Nc1nc(-c2cccc(F)c2F)cs1 4245297 DGNSTKXPQRVXIA-UHFFFAOYSA-N 212.224 2.671 0 40 BFAB Cc1cc(O)cc(C)c1C1=NC[C@@H](C)S1 5190438 IOAJNTRDGVMNNT-SECBINFHSA-N 221.325 2.891 0 40 BFAB CCc1nnc(SCc2ccccc2)o1 7605063 SVKUKIKSINLUJB-UHFFFAOYSA-N 220.297 2.924 0 40 BFAB Nc1nc(Cl)cc(-c2ccc(F)cc2)n1 11919372 ASTAWZNNWSUZRL-UHFFFAOYSA-N 223.638 2.518 0 40 BFAB in-vitro O=C(c1cccc(OC(F)F)c1)N1CCCC1 12618707 QMPPJSLSSNKMLH-UHFFFAOYSA-N 241.237 2.524 0 40 BFAB O=C1NCC/C1=C/c1ccc(Cl)c(Cl)c1 17379504 GZPIZOPMTYGLCF-YVMONPNESA-N 242.105 2.897 0 40 BFAB C[C@H](NCc1ccccc1)c1ccccn1 19899501 XYRJHZVSLCNHPW-LBPRGKRZSA-N 212.296 2.932 0 40 BFAB in-vitro CCCNCc1ccc(OC(C)C)c(OC)c1 20084221 LILFDYCMNQEUHX-UHFFFAOYSA-N 237.343 2.982 0 40 BFAB CCC(=O)N1CCc2sccc2[C@H]1CC 32781321 CHLIPEXJEHNWDH-SNVBAGLBSA-N 223.341 2.994 0 40 BFAB CSCCC(=O)N1c2ccccc2C[C@@H]1C 32975249 HHPDAUPWBOBIOL-JTQLQIEISA-N 235.352 2.717 0 40 BFAB CCOC(=O)c1cc2ccc(OCC)cc2[nH]1 34925322 YOZPDSFTRJPQAR-UHFFFAOYSA-N 233.267 2.743 0 40 BFAB COCCOc1ccc2ccccc2c1C=O 35189060 OQKKEKWBYJQOCZ-UHFFFAOYSA-N 230.263 2.678 0 40 BFAB COc1ccccc1CCNC(=O)C1CCCC1 36397570 QTBUGLGJAUEZAS-UHFFFAOYSA-N 247.338 2.544 0 40 BFAB Fc1ccc(-c2c[nH]c(C3CCNCC3)n2)cc1 36874240 UXDZOEUAAPXRGP-UHFFFAOYSA-N 245.301 2.683 0 40 BFAB O=Cc1cc2cccc(Br)c2[nH]1 37632887 LVCLAISVMPPTLL-UHFFFAOYSA-N 224.057 2.743 0 40 BFAB OCc1cc(Cl)cc(OC(F)(F)F)c1 39712965 PZHLQGDDGUWVKH-UHFFFAOYSA-N 226.581 2.731 0 40 BFAB Oc1ccc(-c2nc(-c3ccncc3)no2)cc1 40542124 PAJAOZOOMHXENT-UHFFFAOYSA-N 239.234 2.504 0 40 BFAB Cn1ccnc1Sc1cnc2ccccc2n1 41872444 GBCANKPSWZUZLO-UHFFFAOYSA-N 242.307 2.515 0 40 BFAB Cc1ccccc1C(=O)c1ncccc1C 45028655 SLDJUGFYTZKKGA-UHFFFAOYSA-N 211.264 2.929 0 40 BFAB Cc1ccc(N(C)CCCC(=O)O)c(C)c1 49987460 CRARKYMSNIUSPK-UHFFFAOYSA-N 221.300 2.604 0 40 BFAB NC(=S)C(Cl)(Cl)c1ccccc1 57219128 HYHIUSVPMGKBBF-UHFFFAOYSA-N 220.124 2.603 0 40 BFAB CCCN1CCC[C@H]1c1ccc(S)nc1 72217003 OWPXPLBKFVXWOZ-NSHDSACASA-N 222.357 2.917 0 40 BFAB O=Cc1ccc(OC2CCCC2)cc1O 72219714 UNWQMRWENJNMFM-UHFFFAOYSA-N 206.241 2.526 0 40 BFAB Cc1ccc(C)c(NC(=O)[C@H]2CCCN(C)C2)c1 82322612 FJINCAGQQRRLMI-ZDUSSCGKSA-N 246.354 2.584 0 40 BFAB CCCCOc1cc(F)c(CC(=O)O)c(F)c1 91252018 BOYCWRRKHQPVRH-UHFFFAOYSA-N 244.237 2.771 0 40 BFAB CC(C)Cc1nc2nccc(-c3ccco3)n2n1 96345309 VFHLABPCSJOKHE-UHFFFAOYSA-N 242.282 2.583 0 40 BFAB CC(C)c1nc(Cl)c2c(ncn2C2CC2)n1 96529527 MHAKXEVFFJALLE-UHFFFAOYSA-N 236.706 2.938 0 40 BFAB CCN(Cc1nnc(C)o1)c1ccc(F)cc1 96981884 SGDVVNNSSRZRDP-UHFFFAOYSA-N 235.262 2.544 0 40 BFAB COCC(=O)Nc1cccc(C(F)(F)F)c1C 97015212 VEYKWHFAQLCNIC-UHFFFAOYSA-N 247.216 2.599 0 40 BFAB OC1[C@H]2C=C[C@H]1[C@@H]1[C@@H]3C[C@H](c4ccccc43)[C@@H]21 104282800 SEETXPIYCYPGLK-BBZRCZKMSA-N 224.303 2.680 0 40 BFAB Fc1ccccc1N1CCN[C@@H]2CCCC[C@H]21 218833762 RYHIDRPAONDWLG-TZMCWYRMSA-N 234.318 2.547 0 40 BFAB CCCCO[C@H](Cc1ccccc1C)C(=O)O 225016822 LIOSRXNYAANXIX-CYBMUJFWSA-N 236.311 2.807 0 40 BFAB Cc1cccc(N2CCN[C@@H]3CCCC[C@@H]32)c1 225712738 LIOWXEIBUKWRFQ-CABCVRRESA-N 230.355 2.716 0 40 BFAB CCCCOc1nn(C)c2cc(C(C)=O)ccc12 225773386 AEIYEHNCNOBOOF-UHFFFAOYSA-N 246.310 2.955 0 40 BFAB CC(C)(C)OC(=O)NC[C@@]1(C)CCCC(=O)C1 225781460 VABHGXNBDIZCNM-ZDUSSCGKSA-N 241.331 2.661 0 40 BFAB CC(C)(C)n1ncc2ccc(Cl)nc21 225815061 DSBXZOIJICLKTO-UHFFFAOYSA-N 209.680 2.840 0 40 BFAB O=C(OCc1cccc(F)c1)c1ccccn1 409203224 VXSYHNFQSXCXES-UHFFFAOYSA-N 231.226 2.578 0 40 BFAB Cc1ncnc(Cl)c1NC(=O)OC(C)(C)C 642882456 AZFIZVXSQJCKBL-UHFFFAOYSA-N 243.694 2.785 0 40 BFAB O=c1ccc(-c2cccs2)nn1CC1CCC1 1888913798 CFDZUXCGVYLNSN-UHFFFAOYSA-N 246.335 2.772 0 40 BFAB CCN(CC)CCOC(=O)c1ccc(C)c(C)c1 1661316 LDTKXLBQGLPLHI-UHFFFAOYSA-N 249.354 2.802 0 40 BFAB CCCCCCS[C@H]1C=CS(=O)(=O)C1 4772737 HUQJUQVTBCVIHN-JTQLQIEISA-N 234.386 2.611 0 40 BFAB Cc1cc(O)ccc1C1=NC[C@@H](C)S1 5190523 QRWOYORMHLKTFF-MRVPVSSYSA-N 207.298 2.583 0 40 BFAB O=C(/C=C/c1cccs1)Nc1ccccn1 5395309 NCWSGVKUPCRZAI-VOTSOKGWSA-N 230.292 2.795 0 40 BFAB CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@@H]2Nc1ccccn1 5541254 AJUNTFPBSOPTHR-HCKVZZMMSA-N 244.338 2.887 0 40 BFAB CCCCCNC(=O)[C@@H](OC)c1ccccc1 6320470 NGTODQFLMRBKOK-ZDUSSCGKSA-N 235.327 2.681 0 40 BFAB Cc1ccc(COC(=O)c2cccn2C)cc1 7780592 UERUXVLFOPBQJR-UHFFFAOYSA-N 229.279 2.691 0 40 BFAB Cc1ccc(C(=O)N(C)Cc2ccco2)c(O)c1 12926234 KLTWCZRAOMKEOJ-UHFFFAOYSA-N 245.278 2.566 0 40 BFAB Cc1occc1C(=O)Nc1cccc2cn[nH]c12 13012730 WMTWJOJGCXBLQM-UHFFFAOYSA-N 241.250 2.717 0 40 BFAB CC(C)OCCCNC(=O)/C=C/c1ccccc1 14411542 NJZTYGYAWLBJKZ-MDZDMXLPSA-N 247.338 2.631 0 40 BFAB O=C(Nc1ccccc1Cl)n1cccn1 28225828 HJQAFQCJIHWTSY-UHFFFAOYSA-N 221.647 2.617 0 40 BFAB Nc1ccnn1-c1ccc(Cl)c(Cl)c1 37245381 XEZNZMRTTHUYQB-UHFFFAOYSA-N 228.082 2.761 0 40 BFAB CC[C@@H](NCCn1cccn1)c1ccccc1 42538690 XAXGRTZHNXFNDW-CQSZACIVSA-N 229.327 2.624 0 40 BFAB Clc1cccc(OC[C@H]2CCNC2)c1Cl 42772244 QYSJLKBNWUELFI-QMMMGPOBSA-N 246.137 2.982 0 40 BFAB CSc1ccc(NC(=O)NCC2CC2)cc1 43857695 AISGKHCXOMCTPZ-UHFFFAOYSA-N 236.340 2.940 0 40 BFAB COCCCC(=O)Nc1ccc2oc(C)nc2c1 47623468 AZBJNIZZTTXCES-UHFFFAOYSA-N 248.282 2.501 0 40 BFAB CNC(=O)N(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 47969581 CJVZIXUSVMOZNF-CABZTGNLSA-N 248.326 2.707 0 40 BFAB Cc1ccc([C@H](C)NCc2cccn2C)o1 49537856 NNMHENCETSHRLR-NSHDSACASA-N 218.300 2.777 0 40 BFAB [O-][N+](=S)c1ccc(C(F)(F)F)cc1 56953525 CDPMORSLRZTKTG-UHFFFAOYSA-N 207.176 2.578 0 40 BFAB NC(=O)c1ccc2nc(-c3ccccc3)oc2c1 62720029 ZITCFWGKDPFRDM-UHFFFAOYSA-N 238.246 2.594 0 40 BFAB O=C(C[C@@H]1CCCCCN1)c1ccccc1 72312129 HDXWDSBVMJKQNQ-ZDUSSCGKSA-N 217.312 2.792 0 40 BFAB in-vitro COc1ccc2oc(-c3ccncc3)nc2c1 73638690 WCDKQHHCUZBKEK-UHFFFAOYSA-N 226.235 2.898 0 40 BFAB Cc1ccc(CSCCNC(=O)C2CC2)cc1 78946861 BTSYAAYOXKNBOX-UHFFFAOYSA-N 249.379 2.754 0 40 BFAB CCN(CCN)Cc1cccc(Cl)c1Cl 79431621 RFNWWTIUTOQVJG-UHFFFAOYSA-N 247.169 2.774 0 40 BFAB CCn1cc(CN(C)C(C)(C)CC)cn1 93279325 LZTCKLPJPRMYAG-UHFFFAOYSA-N 209.337 2.523 0 40 BFAB CCOC(=O)/C(C)=C/c1ccc(C)cc1 95347612 OYLIWRZHBODATL-PKNBQFBNSA-N 204.269 2.961 0 40 BFAB in-vitro Cc1cc(C)cc([C@@H](O)c2cccn2C)c1 95727767 YPQCFLBXSWBGQR-CQSZACIVSA-N 215.296 2.724 0 40 BFAB Fc1ccc(Cl)nc1Br 95763734 LLEQHWZUPGLVKY-UHFFFAOYSA-N 210.433 2.637 0 40 BFAB Cc1nn(C)c(Sc2ccccc2)c1C(=O)O 95883465 DYJPXFCOASLTEC-UHFFFAOYSA-N 248.307 2.578 0 40 BFAB in-vitro CCN(Cc1ccncc1)c1cccc(CO)c1 95972533 SSWYYEBKFKKPMS-UHFFFAOYSA-N 242.322 2.600 0 40 BFAB CCCNc1cncc(Br)c1 96515753 OTDAQEMNLLJNEB-UHFFFAOYSA-N 215.094 2.666 0 40 BFAB OCC12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2 100243156 JZJOEXRURZNLIA-SAAXCQNUSA-N 245.160 2.713 0 40 BFAB Cc1nonc1-c1c(N)sc2c1CCCC2 103635898 WSFDQLWKARUDMK-UHFFFAOYSA-N 235.312 2.568 0 40 BFAB O=C(Nc1ccccc1)[C@H]1C[C@H]2C=C[C@H]1C2 104106361 XGBHRXNRYYODNV-GVXVVHGQSA-N 213.280 2.837 0 40 BFAB COc1ccc2c(c1)CCC[C@@H]2NC(=O)C1CC1 225385371 GEILBIUCELNVLR-AWEZNQCLSA-N 245.322 2.599 0 40 BFAB CC(C)(c1ncccc1C(=O)O)C(F)(F)F 256052658 OEJVPHNQJKMBPN-UHFFFAOYSA-N 233.189 2.620 0 40 BFAB CN(Cc1ccccc1)c1ncc(Cl)cn1 359002685 MHLGKHIYBCSWEK-UHFFFAOYSA-N 233.702 2.766 0 40 BFAB CCc1cc(O)c(-c2ccccc2)c(O)n1 575411051 ZSVPDXCIABCDJS-UHFFFAOYSA-N 215.252 2.722 0 40 BFAB Cc1ccc2[nH]cc(C(C)C)c(=O)c2c1 685938243 MUSLQXOZYHGFIH-UHFFFAOYSA-N 201.269 2.960 0 40 BFAB CCN(C(=O)c1cccnc1)c1ccccc1 29167 JNYWCOMKUGQILI-UHFFFAOYSA-N 226.279 2.748 0 40 BFAB Nc1cccn2cc(-c3cccs3)nc12 54220 DCUDKFXEELFPKO-UHFFFAOYSA-N 215.281 2.645 0 40 BFAB C[C@]1(Br)Cc2ccccc2C1=O 1664182 RECHMHWGWSZYCV-JTQLQIEISA-N 225.085 2.579 0 40 BFAB CCOC(=O)Oc1ccccc1Cl 1696958 QRZPLIREDJPIHE-UHFFFAOYSA-N 200.621 2.875 0 40 BFAB CCN(CC)Cc1nc2ccccc2n1CC 4910970 DKNKJHJGAGAUPN-UHFFFAOYSA-N 231.343 2.898 0 40 BFAB Cc1cc(Nc2cccc(C(=O)O)c2)nc(C)n1 4945062 ADNBVJMVAJEPNA-UHFFFAOYSA-N 243.266 2.535 0 40 BFAB Cc1cc(C(=O)Nc2ccc3c(c2)CCC3)on1 5405430 QQNHQKLVBWEINP-UHFFFAOYSA-N 242.278 2.724 0 40 BFAB CC(C)(C)C(=O)Nc1cccnc1Cl 5726578 ONKODOZZUYXQLA-UHFFFAOYSA-N 212.680 2.720 0 40 BFAB CCc1cc2c(=O)n(CC)c(=S)[nH]c2s1 6006304 WHEDSZGVVOMYDM-UHFFFAOYSA-N 240.353 2.703 0 40 BFAB O=C(Nc1ccc(O)cc1)c1cccnc1Cl 8051350 AFADOMYUAWJPHU-UHFFFAOYSA-N 248.669 2.693 0 40 BFAB S=C(Nc1ccccc1)Nc1ccncc1 8645321 YEWCOTXRBVKDHB-UHFFFAOYSA-N 229.308 2.891 0 40 BFAB CSCCC(=O)Nc1cccc(C(C)=O)c1 10277276 QZLFTHIRNLFFFC-UHFFFAOYSA-N 237.324 2.581 0 40 BFAB N[C@@H]1CCOc2c(Cl)cc(Cl)cc21 11849022 KJGMEAMNMDDGQA-MRVPVSSYSA-N 218.083 2.776 0 40 BFAB c1ccc(COCCC2CCNCC2)cc1 14632385 LSVDLXQNTBNFHH-UHFFFAOYSA-N 219.328 2.593 0 40 BFAB CC(C)[C@H]1C[C@H](C)CC[C@H]1O[C@H]1C=CC(=O)O1 17111913 CLAZQKKQQKBAAC-HKUMRIAESA-N 238.327 2.903 0 40 BFAB Sc1nnc(-c2csc3c2CCCC3)[nH]1 18208728 ZQBVRSLEWNDDRW-UHFFFAOYSA-N 237.353 2.701 0 40 BFAB Cc1ccc(-c2c[nH]cc2C(=O)O)cc1 20357777 ZAJLJBWVJBNSMR-UHFFFAOYSA-N 201.225 2.688 0 40 BFAB COC(=O)c1ccccc1-c1ccc(C(C)=O)o1 26786618 HVRVNVQUALNSDH-UHFFFAOYSA-N 244.246 2.936 0 40 BFAB CCN(C(=O)[C@@H]1Cc2ccccc2S1)C1CC1 32760938 NBGLKEUICVWIJW-ZDUSSCGKSA-N 247.363 2.714 0 40 BFAB O=C([C@H]1CC=CCC1)N1CCc2ccccc2C1 32975408 AFWBIISHCOMMGK-AWEZNQCLSA-N 241.334 2.928 0 40 BFAB O=C([C@@H]1CC=CCC1)N1CCc2ccccc2C1 32975409 AFWBIISHCOMMGK-CQSZACIVSA-N 241.334 2.928 0 40 BFAB C/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F 33376861 DCARLDZSCMKDNZ-IHWYPQMZSA-N 236.111 2.599 0 40 BFAB COc1ccc(OC)c2c1[C@@H]1CC[C@H]2[C@@](C)(O)C1 34200447 YKNJCAHIBWVXLD-FCHSOHFDSA-N 248.322 2.820 0 40 BFAB Cc1ccc2oc(-c3ccc[n+](C)c3)nc2c1 34513400 CKCYZAMJIXMERK-UHFFFAOYSA-N 225.271 2.628 0 40 BFAB Nc1nc2c(s1)C[C@H]1CCCC[C@H]1C2 34617903 JHUMDYXYRRVVRQ-JGVFFNPUSA-N 208.330 2.630 0 40 BFAB Cc1ccccc1NC(=O)CN(C)C1CCCC1 36396707 SJVLAXXROUWVRF-UHFFFAOYSA-N 246.354 2.808 0 40 BFAB CCOC(=O)c1ccc2[nH]c(C)cc2c1 37625215 YFKMUHCEYGQEJA-UHFFFAOYSA-N 203.241 2.653 0 40 BFAB Cc1ccc(C(=O)c2ccc(F)cc2)nc1 38363828 WKWGDKVWXMRANV-UHFFFAOYSA-N 215.227 2.760 0 40 BFAB Clc1nccc(N2CCc3ccccc3C2)n1 38579599 HPNPORHBFJRDDL-UHFFFAOYSA-N 245.713 2.693 0 40 BFAB CC[C@@H]1CN(Cc2ccccc2C)CCO1 40071645 WUCBPLKFOFVMOQ-CQSZACIVSA-N 219.328 2.606 0 40 BFAB CC(C)C[C@H](C)N(C)C(=O)CC[C@H]1CCCO1 40508853 NDNVIEWESSBOOK-QWHCGFSZSA-N 241.375 2.839 0 40 BFAB COc1cccc(C(=O)c2ccccc2Cl)n1 45028725 AZXRTRGKCGFZSO-UHFFFAOYSA-N 247.681 2.975 0 40 BFAB C[C@H](CO)CN(Cc1ccccc1)CC1CC1 55357916 DTDHJTHANKDFAK-ZDUSSCGKSA-N 233.355 2.527 0 40 BFAB CCCCNCCCc1nc2ccccc2[nH]1 62718682 HALNHKNBXWOGAB-UHFFFAOYSA-N 231.343 2.885 0 40 BFAB CC(C)(C)CC(=O)N1CCC[C@@H]1c1cnccn1 72187499 BBFJYQLVQSCZOK-GFCCVEGCSA-N 247.342 2.576 0 40 BFAB Cc1ccc(-c2nc(-c3ccncc3)no2)cn1 74455314 GXBMNZQVZCKIHH-UHFFFAOYSA-N 238.250 2.502 0 40 BFAB C[C@H](O)c1ccc(Br)cc1F 78803095 MASZUNQDCHMJEP-YFKPBYRVSA-N 219.053 2.642 0 40 BFAB in-vitro Cc1cc(Br)ccc1CCCO 85394163 LPYVISQRWDONCW-UHFFFAOYSA-N 229.117 2.682 0 40 BFAB Cc1nc(CN(C)[C@@H](C)c2ccccn2)oc1C 89558244 HLFKDPAJHWACDL-NSHDSACASA-N 245.326 2.879 0 40 BFAB CCc1cnc(COC(=O)c2ccco2)s1 96009821 ABIVQWBUVJGVFS-UHFFFAOYSA-N 237.280 2.656 0 40 BFAB COC[C@@H](C)SCc1ncccc1C 96494695 AZNQRTURCRTFJO-SNVBAGLBSA-N 211.330 2.658 0 40 BFAB Cc1ccc(Cl)c2sc(=N)n(C)c12 100969207 OQLBFTKBXIDLSH-UHFFFAOYSA-N 212.705 2.681 0 40 BFAB CC(C)OCc1nn(CC(F)F)cc1Cl 408715364 LANILWSPRNEABW-UHFFFAOYSA-N 238.665 2.727 0 40 BFAB O=C1N[C@H](c2ccccc2)CCC1(Cl)Cl 343542 VIOVAUGSESYAND-VIFPVBQESA-N 244.121 2.812 0 40 BFAB CCSc1nnc(-c2ccc(F)cc2)o1 415857 ARDIKNCDCDNYTH-UHFFFAOYSA-N 224.260 2.988 0 40 BFAB CCCCCNC(=O)c1ccccc1C 1670470 DQUVNPQVXDGAJO-UHFFFAOYSA-N 205.301 2.915 0 40 BFAB O=C1CC[C@H]([C@@H]2CCc3cc(O)ccc3C2)C1 1708292 FHYIFXKLWBYONC-MFKMUULPSA-N 230.307 2.866 0 40 BFAB biogenic,in-vitro CCC(C)(C)[C@@H](O)c1ccc2c(c1)OCO2 1711273 WJLPIYDKXYHQGX-LBPRGKRZSA-N 222.284 2.885 0 40 BFAB CN(C)c1ccccc1C1(O)CCCCC1 1715795 DFRVSYRQVKFYDX-UHFFFAOYSA-N 219.328 2.904 0 40 BFAB CCN(CC)CCCNc1cc(C)nc(C)c1 1718253 RHKDRFPDSLNLDN-UHFFFAOYSA-N 235.375 2.842 0 40 BFAB CCCCSc1nnc(-c2ccccc2)n1N 1783189 XYZXRRIPWAJURG-UHFFFAOYSA-N 248.355 2.551 0 40 BFAB Cc1ccc(Br)c([C@H](C)N)c1 3705641 IZQJCORRPIODPA-ZETCQYMHSA-N 214.106 2.777 0 40 BFAB CCOC(=O)NC[C@@H](CC)c1ccccc1 5599332 MPTTYKDZVIRBPG-LLVKDONJSA-N 221.300 2.926 0 40 BFAB CCNCc1cc(Cl)ccc1OCC 8227208 ABQMUJDMXXZURO-UHFFFAOYSA-N 213.708 2.848 0 40 BFAB Cc1ccoc1C(=O)Nc1nc(C)c(C)s1 15480567 MZCSAGOHCQTYSJ-UHFFFAOYSA-N 236.296 2.914 0 40 BFAB CC1CCN(C(=O)c2ccnc(Cl)c2)CC1 19813369 YCSVMTYAUWCHCM-UHFFFAOYSA-N 238.718 2.607 0 40 BFAB N[C@H]1CCCc2c1[nH]c1c(F)cccc21 20217064 MHGWXDSMRFFYSS-JTQLQIEISA-N 204.248 2.643 0 40 BFAB CC[C@@H](N)c1ccc(OC)c(Br)c1 20362685 UVRCKYRPBOUAQV-SECBINFHSA-N 244.132 2.868 0 40 BFAB c1ccc(CCNc2nccs2)cc1 21054297 JRFFAPQYMPSJBZ-UHFFFAOYSA-N 204.298 2.798 0 40 BFAB in-vitro O=c1cc(O)c2c(-c3ccccc3)csc2[nH]1 28819388 LCZDMHJWUXOSML-UHFFFAOYSA-N 243.287 2.962 0 40 BFAB Nc1cncc(-c2nc3ccccc3s2)c1 30714647 JKKQOGKRQIQQJT-UHFFFAOYSA-N 227.292 2.941 0 40 BFAB O=C(O)Cc1ccccc1-c1ccc(O)cc1 32002927 QNGDZVQNBUIZEX-UHFFFAOYSA-N 228.247 2.686 0 40 BFAB in-vitro CC(=O)Nc1cc(C)nn1-c1cc(C)cc(C)c1 32859946 RCQLODLCKFTFLD-UHFFFAOYSA-N 243.310 2.756 0 40 BFAB Cc1ccccc1[C@H](C)NC(=O)[C@@H]1C[C@@H]1C 32978734 ZVUZXWSXXTVAGZ-GMXVVIOVSA-N 217.312 2.828 0 40 BFAB CC(=O)C(=S)Nc1ccc(Cl)cc1 34496520 FXWPRTRMBPVIPH-UHFFFAOYSA-N 213.689 2.668 0 40 BFAB Cc1nc(Cl)c2cnn(-c3ccccc3)c2n1 34606975 MYSCWILCMCCGFB-UHFFFAOYSA-N 244.685 2.777 0 40 BFAB Nc1nc(-c2cccc(C(F)(F)F)c2)ns1 36753217 XZTKEOPQVLVNRX-UHFFFAOYSA-N 245.229 2.806 0 40 BFAB N[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 37381469 HNSQANLLXAISTN-MUWHJKNJSA-N 202.084 2.808 0 40 BFAB O=C(NCC1CCCCC1)c1ccnc(F)c1 41038986 VNUJUVCXINDOQE-UHFFFAOYSA-N 236.290 2.531 0 40 BFAB CC[C@H](C)C(=O)N[C@H](C)CCc1ccco1 41975742 VSSCUFZFKBMHMI-WDEREUQCSA-N 223.316 2.763 0 40 BFAB c1csc(-c2nccn2[C@@H]2CCCNC2)c1 45048431 ANOVZPGCHBOERR-SNVBAGLBSA-N 233.340 2.536 0 40 BFAB CC1(C)[C@@H]2CC[C@@](C)(O)[C@@H]3CC[C@](C)(O)[C@H]3[C@@H]21 59589003 DWNPMJOWAWGIMM-HTKHVQBFSA-N 238.371 2.581 0 40 BFAB biogenic,in-vitro O=C(Cc1ccccc1F)N[C@@H]1C[C@H]2CC[C@@H]1C2 71780977 LNVLCHAPFHZPGA-ZKYQVNSYSA-N 247.313 2.673 0 40 BFAB CCCN1CCCC[C@H]1c1cccnc1N 72212435 VZMQFYHZYNRAFR-LBPRGKRZSA-N 219.332 2.601 0 40 BFAB COC(=O)c1cnc(Nc2ccccc2)cc1C 72223306 FRMZDMOPEYBJIP-UHFFFAOYSA-N 242.278 2.920 0 40 BFAB c1ccc2c(CC3CCNCC3)ccnc2c1 84237328 ZOGJRPLAANAXDY-UHFFFAOYSA-N 226.323 2.777 0 40 BFAB CCCCC[C@@H](C)NC(=O)NC(C)C 84743045 IHKIBHUNAZSCRQ-SNVBAGLBSA-N 200.326 2.663 0 40 BFAB CC[C@@](C)(NCCSC)c1nccs1 89912629 CVLQEGSWHCAJQG-SNVBAGLBSA-N 230.402 2.721 0 40 BFAB N[C@@H](c1ccccc1)[C@H](CO)Cc1ccccc1 90866215 ICQKDZDZTLESGV-HOTGVXAUSA-N 241.334 2.538 0 40 BFAB Cn1cccc1[C@H](O)c1cc(F)cc(Cl)c1 95727649 VPYUJHRDKFNTLW-GFCCVEGCSA-N 239.677 2.899 0 40 BFAB CCCCOc1cc(C=O)cc(F)c1F 95732249 WLCVWNMBWOVYEH-UHFFFAOYSA-N 214.211 2.956 0 40 BFAB FC(F)(F)Cc1ccc(Br)nc1 95764083 OLYYQBKZTHHGFN-UHFFFAOYSA-N 240.022 2.949 0 40 BFAB O=C(O)[C@@H](CCNc1ccccc1)C(F)(F)F 95919637 UZCZPGYHAUYITA-SECBINFHSA-N 247.216 2.752 0 40 BFAB C[C@H]1C[C@@H]1C(=O)Nc1ccc2ccccc2n1 95955598 CHEMJPMPBZQVFY-ONGXEEELSA-N 226.279 2.829 0 40 BFAB CCOC(=O)[C@H]1[C@H]2C[C@@H]3[C@@H](C[C@]12C)C3(C)C 104051742 CQYRNURWODAYGR-GIBVNIFISA-N 222.328 2.868 0 40 BFAB c1cc(N2C[C@H]3CCC[C@@H]3C2)nc(C2CC2)n1 129055587 OPMKEZQJHCQWAW-VXGBXAGGSA-N 229.327 2.590 0 40 BFAB COC(=O)[C@H]1C[C@@H]1C(=O)c1ccc(C(C)C)cc1 217817801 YBRJPDJVOUJTEN-STQMWFEESA-N 246.306 2.802 0 40 BFAB Cc1cccc(C)c1N[C@H]1CCC[C@H]1N 218879685 HAWVOAFXHQMBBY-NEPJUHHUSA-N 204.317 2.595 0 40 BFAB CC(C)CNCc1ccn(C(C)(C)C)c1 223695633 JIVONMPKFRLSPH-UHFFFAOYSA-N 208.349 2.989 0 40 BFAB CC[C@@H](C(=O)O)N(C)c1ccc(Cl)cc1C 224991789 YQFGDEYMTCVZLX-JTQLQIEISA-N 241.718 2.948 0 40 BFAB CC(C)[C@@H](C)NC(=O)/C=C/c1ccccc1 225184350 FQLQJZHWPSCOFE-BZYZDCJZSA-N 217.312 2.861 0 40 BFAB CCCCn1cc(Br)c(COC)n1 408715193 FDBBGVCFCCZFCC-UHFFFAOYSA-N 247.136 2.592 0 40 BFAB CCOC(=O)c1ccc(OC)c(OC)c1Cl 132445 AXNMDQHZRJDVRG-UHFFFAOYSA-N 244.674 2.534 0 40 BFAB O[C@H]1CCCC[C@@H]1N1CC[C@H](c2ccccc2)C1 1051355 LRWOETBLULBTDE-JYJNAYRXSA-N 245.366 2.779 0 40 BFAB Cc1nc(N2CCCCC2)c2ccsc2n1 2886851 HNOSYRPQPYTXTK-UHFFFAOYSA-N 233.340 2.990 0 40 BFAB CC(=O)N1CCc2c([nH]c3ccccc23)[C@@H]1C 3132128 MRKQVVVVXFEYDX-VIFPVBQESA-N 228.295 2.634 0 40 BFAB Cc1ccc(-n2cnnc2S)cc1Cl 3888604 KHQUDUXSVOKFOK-UHFFFAOYSA-N 225.704 2.518 0 40 BFAB in-vitro Cc1nc2ccc(NC(=O)C3CC3)cc2s1 6216185 UERJSMNGBYXZQB-UHFFFAOYSA-N 232.308 2.953 0 40 BFAB CCN(CC)C(=O)Nc1ccc(F)cc1F 6462692 ZIHPLLPNBNZEML-UHFFFAOYSA-N 228.242 2.839 0 40 BFAB CCNC(=O)CNc1ccc(Cl)c(Cl)c1 10029070 UXMWFOYCCUIXHQ-UHFFFAOYSA-N 247.125 2.541 0 40 BFAB COc1cccc(Nc2cc(C)ncn2)c1 11902773 QBSOLHABIBXBTN-UHFFFAOYSA-N 215.256 2.537 0 40 BFAB CC(C)[C@H](Sc1ccccc1)C(=O)O 11954777 QAKDHYMWCUNISK-JTQLQIEISA-N 210.298 2.888 0 40 BFAB in-vitro COc1ccc(/C=C(\Cl)[N+](=O)[O-])cc1 12410573 RHJJQBOVUSXYQJ-RMKNXTFCSA-N 213.620 2.509 0 40 BFAB O=c1oc2ccccc2n1Cc1ccc(F)cc1 14376086 QOLQGBVBGJVMLF-UHFFFAOYSA-N 243.237 2.782 0 40 BFAB CCC[C@@H](C)NC(=O)COc1cc(C)cc(C)c1 14399730 BIOUFGOALHOBQA-CYBMUJFWSA-N 249.354 2.987 0 40 BFAB Clc1cc(Cl)c2c(c1)[C@@H]1O[C@@H]1C2 19796235 SBSVJEMBNBKHOX-BDAKNGLRSA-N 201.052 2.989 0 40 BFAB CC[C@@H](CO)NCc1ccccc1C(F)(F)F 20194409 BYBKPQGTHLQYND-JTQLQIEISA-N 247.260 2.566 0 40 BFAB N[C@@H]1CCCc2c1[nH]c1c(F)cccc21 20217063 MHGWXDSMRFFYSS-SNVBAGLBSA-N 204.248 2.643 0 40 BFAB NCc1cccn1-c1ccccc1Cl 23993773 VTXMOANICWEQJC-UHFFFAOYSA-N 206.676 2.589 0 40 BFAB COCC(=O)N[C@H](C)c1cccc2ccccc12 24063288 MNEVTZUUKNPCJD-LLVKDONJSA-N 243.306 2.663 0 40 BFAB Clc1ccc(COC[C@H]2CCCCN2)cc1 28521915 WWULKUOXSUIBKB-CYBMUJFWSA-N 239.746 2.999 0 40 BFAB CC(C)c1nnc2ccc(NC3CCCC3)nn12 32104944 VXWUSQVMNWMOHR-UHFFFAOYSA-N 245.330 2.602 0 40 BFAB Cc1ccc(C(=O)N(C)Cc2ccco2)cc1F 32780988 BUAMIFVPWUKIJF-UHFFFAOYSA-N 247.269 2.999 0 40 BFAB O=C(CCc1cccs1)Nc1cccnc1 32896762 NCSDIKLQWPCVBF-UHFFFAOYSA-N 232.308 2.714 0 40 BFAB Cc1cc(C(=O)N(C)[C@H](C)C2CC2)c(C)o1 32907054 MOBOTOPTPCWLPX-SECBINFHSA-N 221.300 2.767 0 40 BFAB Cc1nnc(Cl)c2c1cnn2-c1ccccc1 36657707 RRUMUCVWQIBJNG-UHFFFAOYSA-N 244.685 2.777 0 40 BFAB COC(=O)c1cc(-c2ccc(OC)cc2)ns1 39387186 RNRCLAAXCSHLJB-UHFFFAOYSA-N 249.291 2.605 0 40 BFAB CCCCC[C@H](C)N[C@H]1CCCC[C@@H]1O 42237331 DBCDDGLDBZLTNI-AVGNSLFASA-N 213.365 2.848 0 40 BFAB CCC[C@H](O)Cc1cc(F)ccc1F 43459479 GMRQAAZAJRJOSN-JTQLQIEISA-N 200.228 2.668 0 40 BFAB CC[C@@H](C)NC(=O)CCc1ccccc1F 47220082 FHZPQMKISWKPIG-SNVBAGLBSA-N 223.291 2.673 0 40 BFAB CCOc1cccc(/C=C/C(=O)N2CCCC2)c1 59843372 AKEMOFUGLLHJBT-CMDGGOBGSA-N 245.322 2.721 0 40 BFAB CC(C)(C)C[C@H](CO)NCc1cccs1 61840713 IJPHBHYNFIYHNF-SNVBAGLBSA-N 227.373 2.635 0 40 BFAB C/C=C/[C@@H](CC)ON1C(=O)c2ccccc2C1=O 68603061 SYOWXNFNBXQSTK-KFEJWOFMSA-N 245.278 2.569 0 40 BFAB CCCN(C)C(=O)N[C@H]1C[C@H]1c1ccccc1 69104124 RWBDAHYHTPULSN-STQMWFEESA-N 232.327 2.594 0 40 BFAB COc1ccc([C@@H]2CCCCN2C)cc1 72221510 KSVIBVRZHTZGFY-ZDUSSCGKSA-N 205.301 2.852 0 40 BFAB Cc1nc(OCc2ccccc2)ccc1CCO 72224479 UNLAOZLCBLBUES-UHFFFAOYSA-N 243.306 2.504 0 40 BFAB CCOC(CN(C)c1ccccc1)OCC 82486121 MSHBPVQTBOBZJM-UHFFFAOYSA-N 223.316 2.522 0 40 BFAB in-vitro Cc1cc(F)ccc1CNc1ncccn1 83348946 NGTGMSMQRXPLLU-UHFFFAOYSA-N 217.247 2.536 0 40 BFAB Fc1cccnc1N1CCc2ccccc2C1 84482332 SDGTWRLRDDASCG-UHFFFAOYSA-N 228.270 2.783 0 40 BFAB Cc1ccc(CNCc2ccco2)c(N(C)C)c1 84958406 QURRZSUIOCOMDH-UHFFFAOYSA-N 244.338 2.944 0 40 BFAB CCC[C@@H](CCOC)CN[C@H](C)CC 85396256 IKUWOAXCYWNJKF-NEPJUHHUSA-N 201.354 2.827 0 40 BFAB COC(=O)C1(c2ccccc2C)CCC(=O)CC1 90513069 XAEAJHRMENAVCZ-UHFFFAOYSA-N 246.306 2.549 0 40 BFAB C[C@@H](O)C1(c2cc(F)c(F)c(F)c2)CC1 95739113 NKKFCGCJMPBKAM-ZCFIWIBFSA-N 216.202 2.516 0 40 BFAB c1ccc([C@@H]2CN[C@H]3CCCC[C@@H]32)cc1 95883907 UWANJFHETVWHSC-RDBSUJKOSA-N 201.313 2.932 0 40 BFAB in-vitro C[C@H](NCc1ccc(F)cc1)[C@@H]1CCCOC1 96002106 GVULEYXSTSNZOQ-WCQYABFASA-N 237.318 2.730 0 40 BFAB CC(C)C(=O)NCCOc1ccccc1C(C)C 110509553 RSCXCHNZXCHNDG-UHFFFAOYSA-N 249.354 2.961 0 40 BFAB COC(=O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 111674535 WIMAJALMXOJGCA-ZJUUUORDSA-N 244.212 2.982 0 40 BFAB O=C(O)c1cc2ncn(C3CC3)c2cc1Cl 214187461 NJICWIDFZXRITQ-UHFFFAOYSA-N 236.658 2.723 0 40 BFAB CCCn1cccc1CN1CCCCC1 225309238 OQBDQPNEXIHUHS-UHFFFAOYSA-N 206.333 2.884 0 40 BFAB c1ccc2c(O[C@H]3CCSC3)ncnc2c1 585652768 VWIUJCQDMYZVRU-VIFPVBQESA-N 232.308 2.514 0 40 BFAB CCCC(=O)Nc1cccc2cccnc12 556452 BNNNWQPSVSXNND-UHFFFAOYSA-N 214.268 2.973 0 40 BFAB Cc1cc(C)nc(N(C)CCN2CCCCC2)c1 1602375 GAZIOBZAHMUZLE-UHFFFAOYSA-N 247.386 2.621 0 40 BFAB O=C(NCc1ccccc1)C1[C@H]2CCCC[C@H]12 3159474 RNYXKMCVLDABRF-STQMWFEESA-N 229.323 2.739 0 40 BFAB c1ccc(CSC[n+]2ccccc2)cc1 3160683 FEAZWCUDYDMQLW-UHFFFAOYSA-N 216.329 2.865 0 40 BFAB CS(=O)(=O)Nc1ccccc1-c1ccccc1 3306631 NAOSHZTVHQYXHW-UHFFFAOYSA-N 247.319 2.725 0 40 BFAB O=C1CC[C@@H](c2ccc3c(c2)CCCC3)O1 6513479 XSCLDQDZADGJOV-ZDUSSCGKSA-N 216.280 2.944 0 40 BFAB COc1ccc(/C(=C/C(=O)O)C2CC2)cc1C 11628549 GDWLFISSBPQAPT-XYOKQWHBSA-N 232.279 2.882 0 40 BFAB Cc1ccc(C)c(O[C@@H](C)C(=O)N2CCCC2)c1 13710141 KQMSWECPVXHWLG-ZDUSSCGKSA-N 247.338 2.693 0 40 BFAB c1ccc(-c2cccc(-c3nnn[nH]3)c2)cc1 15043023 WWPSTJGPSOCQIH-UHFFFAOYSA-N 222.251 2.534 0 40 BFAB Cc1cc(-c2nnc(S)n2C2CC2)cs1 16972125 JOVITPKIGYZZAF-UHFFFAOYSA-N 237.353 2.939 0 40 BFAB C[C@@H](N)c1cc(F)ccc1OCC(F)(F)F 19873105 SSVGRKYWOMBRMY-ZCFIWIBFSA-N 237.196 2.787 0 40 BFAB CC(=O)c1c[nH]c2c1ccc1cccnc12 20064336 QHPLTDRSQHVFDU-UHFFFAOYSA-N 210.236 2.919 0 40 BFAB Cc1cccc(Oc2ncccc2N)c1 20278564 SFDXCFLJBCHFOC-UHFFFAOYSA-N 200.241 2.765 0 40 BFAB CCN(CC)Cn1nc(SC)sc1=S 20828714 QWRLRPSBQVYPMM-UHFFFAOYSA-N 249.430 2.695 0 40 BFAB Cn1cnc2c(NCc3ccccc3)nccc21 24983247 GJWGKTCMUYONDS-UHFFFAOYSA-N 238.294 2.580 0 40 BFAB NC(=S)c1cccc(-c2ccccc2)c1 32012848 IDMWXOYPRCHOGP-UHFFFAOYSA-N 213.305 2.988 0 40 BFAB in-vitro O=C(C[C@@H]1C=CCC1)N1CCc2ccccc21 32738578 QWYAAWLCRYDTQI-GFCCVEGCSA-N 227.307 2.932 0 40 BFAB CCOc1ccc(OCCC2CCNCC2)cc1 34972603 TWUFXULTKPAXKB-UHFFFAOYSA-N 249.354 2.854 0 40 BFAB O=C(O)c1cc(Oc2ccccc2)ccn1 36896277 WITPTLOQYHPGNA-UHFFFAOYSA-N 215.208 2.572 0 40 BFAB in-vitro Cn1nc(-c2cccc(C(F)(F)F)c2)cc1N 36938266 QROZNIWVOVXYSY-UHFFFAOYSA-N 241.216 2.688 0 40 BFAB CCOC(=O)CCOc1ccc(F)cc1Cl 36984989 MVRDMUDXZFKCDU-UHFFFAOYSA-N 246.665 2.811 0 40 BFAB CC(C)[C@@H](C)NC(=O)CCOc1ccccc1 39975631 DAASIUHENUGBJD-GFCCVEGCSA-N 235.327 2.616 0 40 BFAB C[C@@H]1CCCC[C@H]1N(C)C(=O)C1CCC1 40497947 MCYBJECHWLBUNT-ZYHUDNBSSA-N 209.333 2.824 0 40 BFAB CCn1cc(NC(=O)Nc2ccccc2)cn1 48350662 VGHGKLBEUTWUTB-UHFFFAOYSA-N 230.271 2.547 0 40 BFAB CCOC(=O)c1cc2cccc(F)c2o1 49073460 DLVXIMIRYGWIOE-UHFFFAOYSA-N 208.188 2.749 0 40 BFAB Clc1cccc(-c2n[nH]c(Cl)n2)c1 64875211 ACPNXXXTLIJXGN-UHFFFAOYSA-N 214.055 2.779 0 40 BFAB C[C@H](N)c1csc(-c2ccc(F)cc2)n1 70840217 SHFAHQKGCDUOLI-ZETCQYMHSA-N 222.288 2.969 0 40 BFAB CCCCCC[C@@H](C)NC(=O)NCC 71806541 JPZWPZSGBDKEQC-SNVBAGLBSA-N 200.326 2.664 0 40 BFAB CN1CCCC[C@H]1c1ccc(N2CCCC2)nc1 72215937 QVODXARGPBHTOF-AWEZNQCLSA-N 245.370 2.839 0 40 BFAB CSc1ncccc1[C@@H]1CCCN1C 72216927 YNDNPNAULCMPDB-JTQLQIEISA-N 208.330 2.570 0 40 BFAB O=C(O)[C@H]1CCC[C@@H](CC(F)(F)F)C1 75135427 QIDHTBAGCKXPJI-RQJHMYQMSA-N 210.195 2.830 0 40 BFAB Oc1ccc2cc(Br)cnc2c1 91692927 CFJJZVMYMPQIRD-UHFFFAOYSA-N 224.057 2.703 0 40 BFAB Cn1ccc2c([C@H]3CCCN3)cccc21 96509768 QFTLZTNNJWGNQB-GFCCVEGCSA-N 200.285 2.603 0 40 BFAB Cc1ccc2c(=O)cc[nH]c2c1Br 132056765 SKMCFUXPABEARS-UHFFFAOYSA-N 238.084 2.599 0 40 BFAB CCCn1cc(NCc2ccc(OC)cc2)cn1 157441540 BFXTZEUQFAFBQZ-UHFFFAOYSA-N 245.326 2.914 0 40 BFAB CC(C)c1nnc(C(C)C)n1-n1cccc1 225150349 NANXGWDAXUUDSX-UHFFFAOYSA-N 218.304 2.638 0 40 BFAB COc1ccc([C@@H](O)c2ccc(N)c(C)c2)cc1 226292868 GMOSTYCRXXNCBF-OAHLLOKOSA-N 243.306 2.668 0 40 BFAB FC(F)COCc1ccn(C2CCCC2)n1 408717301 YDADKMWEXFOLSW-UHFFFAOYSA-N 230.258 2.780 0 40 BFAB O=C1NCCc2[nH]cc(-c3ccc(Cl)cc3)c21 1542990748 HOEOCECRQIEVOA-UHFFFAOYSA-N 246.697 2.621 0 40 BFAB Cc1ccc(C(=O)Nc2nc3ccccc3[nH]2)o1 995604 JCIQPVVQULOFGR-UHFFFAOYSA-N 241.250 2.717 0 40 BFAB CO[C@@H](CC(=O)O)C[C@H](C)CC(C)(C)C 1693474 YDEMTSOBLWQIAR-VHSXEESVSA-N 216.321 2.939 0 40 BFAB COc1ccccc1C1O[C@H](C)[C@@H](C)O1 1693704 HMWMHDMYHXVNMK-RKDXNWHRSA-N 208.257 2.518 0 40 BFAB COc1ccc(OC)c2c(Cl)ccnc12 1724685 ODCPLLZJVZCUAE-UHFFFAOYSA-N 223.659 2.905 0 40 BFAB CCOC(=O)c1c(C(C)(C)C)csc1N 2541434 IWVRKUNQDJPEOB-UHFFFAOYSA-N 227.329 2.805 0 40 BFAB in-vitro COc1ccc(CC(C)=O)cc1Br 2558074 FUXDJXNPHSHGKZ-UHFFFAOYSA-N 243.100 2.589 0 40 BFAB COC(=O)c1cc(/C=C\c2ccccc2)on1 4742401 FSLSTBOIVMYKMU-FPLPWBNLSA-N 229.235 2.632 0 40 BFAB CCOC(=O)c1cc(Cl)cc(Cl)c1N 6463870 VPLRCCUPLQJQDP-UHFFFAOYSA-N 234.082 2.752 0 40 BFAB CC[C@@H](Oc1ccccc1F)C(=O)NC(C)C 8040603 WDZYHCPVRWFNLN-LLVKDONJSA-N 239.290 2.508 0 40 BFAB O=C(CC1CCCC1)NCCc1ccccc1 8723293 AOSLVHFIGFKZCH-UHFFFAOYSA-N 231.339 2.926 0 40 BFAB CCNC(=O)Cc1coc2cc(C)c(C)cc12 9613733 ZFXWQWJAHDCCJW-UHFFFAOYSA-N 231.295 2.728 0 40 BFAB Cc1ccc(NC(=O)[C@H](C)n2cccn2)cc1F 12915301 BCQBIIQIRKFIEM-JTQLQIEISA-N 247.273 2.530 0 40 BFAB C[C@H]1C[C@H]1C(=O)N[C@H](C)CCc1ccccc1 16971376 ODKGPKDUWUIWBK-OUCADQQQSA-N 231.339 2.780 0 40 BFAB CC[C@H](C)NC[C@H](C)Oc1ccccc1OC 19738544 PPVGEGCKQVFECF-RYUDHWBXSA-N 237.343 2.851 0 40 BFAB CCCC[C@H](CC)C(=O)Nc1ccn(C)n1 28228065 GJZFIWSIFJRRQG-JTQLQIEISA-N 223.320 2.575 0 40 BFAB COc1ccccc1NC(=O)CC[C@@H]1CCCO1 31872450 GJYVEFWWLRYXBU-NSHDSACASA-N 249.310 2.593 0 40 BFAB O[C@H]1CCCc2ccc(Br)cc21 31889114 SXVUISODQKZWFM-JTQLQIEISA-N 227.101 2.819 0 40 BFAB in-vitro CCc1ccc(C(=O)N[C@@H](C)c2ccccn2)o1 32824608 JKAUBFWNOLLIJG-JTQLQIEISA-N 244.294 2.728 0 40 BFAB CCOc1cc(C)c(C=O)cc1OCC 38535004 OUZIOJCMZCUXNW-UHFFFAOYSA-N 208.257 2.605 0 40 BFAB C[C@H]1CCC[C@H](NC(=O)c2ccnc(F)c2)C1 41038982 CQPOUINBWZXCAO-ONGXEEELSA-N 236.290 2.529 0 40 BFAB CCOC(=O)c1cc(N)ccc1NCC(C)C 41079804 FTRVEOFJCLNFCX-UHFFFAOYSA-N 236.315 2.513 0 40 BFAB FC(F)(F)c1cccc(OC[C@@H]2CCNC2)c1 42772792 ZPIQTWNHZGESPH-SECBINFHSA-N 245.244 2.694 0 40 BFAB COC(=O)c1cc2c(C)c(C)ccc2[nH]1 43314221 NLVDMRDXMZXUSC-UHFFFAOYSA-N 203.241 2.571 0 40 BFAB in-vitro C[C@H](Sc1ncn[nH]1)c1ccccc1F 44029594 GZKGMGYNDHTLAQ-ZETCQYMHSA-N 223.276 2.797 0 40 BFAB CC(C)c1cc(NC(=O)Cc2ccsc2)[nH]n1 49044384 GJTYDEVVOSFXJJ-UHFFFAOYSA-N 249.339 2.776 0 40 BFAB CCCn1cc(C(=O)c2cc(C)ccc2O)cn1 58225140 NGLMJNUSDORRKD-UHFFFAOYSA-N 244.294 2.538 0 40 BFAB Cc1ccncc1[C@H]1CCCN1C(C)C 72211398 BEXLAFMLXBPSPS-CYBMUJFWSA-N 204.317 2.935 0 40 BFAB CNCc1cnc(Nc2ccccc2)c(C)c1 72222288 CUMCINUHRWAZJB-UHFFFAOYSA-N 227.311 2.853 0 40 BFAB Cc1ncccc1NC(=O)c1ccc(Cl)nc1 74239223 VEVGNVUAAIRJCE-UHFFFAOYSA-N 247.685 2.691 0 40 BFAB O=C(C[C@@H]1CCCCCN1)c1cccs1 74941905 JKWVALNCYUJVCG-JTQLQIEISA-N 223.341 2.853 0 40 BFAB in-vitro COc1cccc([C@@H](C)Sc2ncn[nH]2)c1 83595077 NVKSEHQZEIRVEE-MRVPVSSYSA-N 235.312 2.667 0 40 BFAB CCCCNC[C@H](CC)CCOCC 85396248 GQYUVNXKWTXICO-GFCCVEGCSA-N 201.354 2.829 0 40 BFAB CC(C)C[C@H](CN)CC(=O)O[C@@H](C)C(C)C 87467970 OKIQEWFOZNPTBL-RYUDHWBXSA-N 229.364 2.585 0 40 BFAB CCOC(=O)Cc1ccc(OC(F)F)c(F)c1 91692997 KIASIJFOGBJSKS-UHFFFAOYSA-N 248.200 2.533 0 40 BFAB Cc1ccccc1[C@@H](OCC(=O)O)C(F)(F)F 95096406 DYPOFAYXNICKKG-SNVBAGLBSA-N 248.200 2.700 0 40 BFAB CC[C@@H](NCc1ncc(C)o1)c1c(C)noc1C 97111197 HLTZUDQDEFHBJE-LLVKDONJSA-N 249.314 2.829 0 40 BFAB c1ccc([C@@]23O[C@@H]4[C@H]5[C@H]6C[C@H]([C@@H]7[C@H]6[C@@H]4[C@@H]72)[C@H]53)cc1 100400670 DNZSZQJIFXZSPG-GCNIVCFISA-N 236.314 2.668 0 40 BFAB Cc1cc(C(=O)CC(=O)C(F)(F)F)c(C)o1 100474891 BHOMEGVDWHEJTQ-UHFFFAOYSA-N 234.173 2.601 0 40 BFAB Oc1c(C(F)(F)F)ccc2cccnc12 139924828 WFJZHTCFMJRPKG-UHFFFAOYSA-N 213.158 2.959 0 40 BFAB Cc1cc(NCCN)c2c(C)ccc(C)c2n1 222685280 MREHNQVMGDMXIQ-UHFFFAOYSA-N 229.327 2.531 0 40 BFAB C[C@@H](Cc1ccccc1F)N[C@@H]1C[C@H]2CC[C@H]1O2 225435231 OIQQRBLZXDRNPW-QMGNLALYSA-N 249.329 2.666 0 40 BFAB CCO[C@@H]1[C@H]2CC[C@H]1N(Cc1ccsc1)C2 248380534 QIXHTGGDPVNURU-YNEHKIRRSA-N 237.368 2.747 0 40 BFAB CC[C@H](C)OCc1ccnn1CC(F)(F)F 408716233 KFYWSHWHZFGTKU-QMMMGPOBSA-N 236.237 2.761 0 40 BFAB Nc1ccnc(OCc2ccccc2)c1Cl 1857794519 TZWQLQQNKFOXMX-UHFFFAOYSA-N 234.686 2.896 0 40 BFAB CCC[C@@H](C)NC(=O)c1ccccc1F 30365 SHPVQOPBVAIDJD-SECBINFHSA-N 209.264 2.744 0 40 BFAB Clc1ccc(C2=NCCO2)c(Cl)c1 162832 SDFQWEXTYWGXCA-UHFFFAOYSA-N 216.067 2.770 0 40 BFAB CCOC(=O)c1cccc(NC(=O)CC(C)C)c1 363678 SLYFKHIJKAYNOP-UHFFFAOYSA-N 249.310 2.848 0 40 BFAB CCCCCC[C@H]1OC[C@@H](COCC)O1 1675393 IOLQBDYJUGWJRL-NEPJUHHUSA-N 216.321 2.735 0 40 BFAB CO[C@H](C)CCOC(=O)c1ccccc1C 2046600 MQXFMCBHZOROER-LLVKDONJSA-N 222.284 2.577 0 40 BFAB CC(C)(CC(=O)c1cccc(F)c1)C(=O)O 2378759 UHAIYWHYNNTGTL-UHFFFAOYSA-N 224.231 2.509 0 40 BFAB Cc1cnc(NC(=O)c2cccs2)s1 3164317 JDJXKXFGRRAOOV-UHFFFAOYSA-N 224.310 2.765 0 40 BFAB CCCCc1ccc(NC(=O)/C=C\C(=O)O)cc1 4514625 RHNAPQKAHBDNLV-KTKRTIGZSA-N 247.294 2.609 0 40 BFAB C[C@@H]1CCCC[C@H]1Nc1nnc(S)s1 6382226 VPEXGPZGXPUORY-RNFRBKRXSA-N 229.374 2.817 0 40 BFAB in-vitro O=C(Nc1ccc2c(c1)OCO2)[C@H]1CC=CCC1 7597966 RVHJYAWBGREYDM-JTQLQIEISA-N 245.278 2.710 0 40 BFAB CCC[C@H](N[C@H]1C=Cc2ccccc21)C(=O)O 8730650 KSKUMFZWVPHHSB-STQMWFEESA-N 231.295 2.597 0 40 BFAB CC(C)(CNc1ccccc1Cl)C(=O)O 8730703 QHIHMHPGDYMLND-UHFFFAOYSA-N 227.691 2.863 0 40 BFAB O=C(c1ccc2c(c1)OCCO2)C1CCCC1 11631682 AKNXDXHLEOLUSZ-UHFFFAOYSA-N 232.279 2.831 0 40 BFAB COC(=O)c1c(-c2ccccc2)ccnc1C 14163967 CIJRZQRLCZQSJZ-UHFFFAOYSA-N 227.263 2.844 0 40 BFAB COc1ccc([C@@H](C(=O)O)C(C)C)cc1OC 19726440 KPNHIRIAXDSTAM-LBPRGKRZSA-N 238.283 2.528 0 40 BFAB CCC[C@@H](C)NC(=O)CCc1ccc(OC)cc1 19897715 RLDVRXTYFVXXLG-GFCCVEGCSA-N 249.354 2.933 0 40 BFAB C[C@@H](NC1CC1)c1ccc(-n2ccnc2)cc1 20083159 MGIUZRLNAFYOIY-LLVKDONJSA-N 227.311 2.685 0 40 BFAB Nc1ccccc1NC(=O)/C=C/c1ccccc1 20345294 CVMHCHMBCVSXNH-ZHACJKMWSA-N 238.290 2.921 0 40 BFAB Cc1[nH]c2ccc(F)cc2c1CC(=O)NC(C)C 24475517 DPBVQWQLWLCHJD-UHFFFAOYSA-N 248.301 2.683 0 40 BFAB Cc1cc(C(=O)N2CCC[C@H]3CCCC[C@H]32)on1 36398251 MPWXEORNXXWOME-VXGBXAGGSA-N 248.326 2.778 0 40 BFAB C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1 36673387 UBPNZKDCPIULKA-KWQFWETISA-N 245.244 2.755 0 40 BFAB in-vitro Cc1c(C(=O)O)cnn1-c1ccccc1Cl 37295166 NJOUENQKKOELRF-UHFFFAOYSA-N 236.658 2.532 0 40 BFAB CN(C)[C@H](C(=O)O)c1ccc(Cl)cc1Cl 37358442 GAIZNJJLEZFCPM-VIFPVBQESA-N 248.109 2.681 0 40 BFAB NC[C@@H](c1cccc(Cl)c1)N1CCCCC1 38808897 XPNKTKNBJXYUKL-ZDUSSCGKSA-N 238.762 2.826 0 40 BFAB CCc1nc(NC(=O)c2ccccn2)sc1C 39073036 QDGBVSNDAXOUSD-UHFFFAOYSA-N 247.323 2.661 0 40 BFAB Cc1cc(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)no1 41591597 AZZZYRWGWNOQJN-NWDGAFQWSA-N 248.326 2.635 0 40 BFAB c1ccc2c(c1)CCCN2CC[C@H]1CCCNC1 42783384 PQCIXNOOSQFYGI-CQSZACIVSA-N 244.382 2.829 0 40 BFAB in-vitro CC(C)C[C@@H](CN)N[C@@H](C)c1ccccc1 62151979 KKVIPCWNLAUNJZ-JSGCOSHPSA-N 220.360 2.711 0 40 BFAB in-vitro CCc1ccc([C@H](CN)OC(C)C)cc1 62711852 RLLWQVYGOYPEFA-ZDUSSCGKSA-N 207.317 2.674 0 40 BFAB CC1(C)N=C(c2ccc(C(C)(C)C)cc2)C(=O)N1 67240479 NKCQECUGJMNANX-UHFFFAOYSA-N 244.338 2.639 0 40 BFAB O=C1CCCc2n[nH]c(-c3cccs3)c21 71282183 SPCVIAPVZNCSKE-UHFFFAOYSA-N 218.281 2.657 0 40 BFAB Cn1cc(C(=O)O)c2cc(Cl)ccc21 71492542 CDFMDRWHWBBKJX-UHFFFAOYSA-N 209.632 2.530 0 40 BFAB OC1=N[C@@H](c2ccsc2)N2CCCC[C@H]12 71967379 WAENQLOOEBXYDO-NXEZZACHSA-N 222.313 2.571 0 40 BFAB Cc1ccncc1[C@@H]1CCCN1C(C)C 72211397 BEXLAFMLXBPSPS-ZDUSSCGKSA-N 204.317 2.935 0 40 BFAB CC(C)CN1CCC[C@H]1c1cccnc1O 72212310 QBZJSACNVMFYHP-LBPRGKRZSA-N 220.316 2.580 0 40 BFAB CCCN1CCC[C@@H]1c1cccnc1S 72217062 RTCQEUYQPZAWCQ-LLVKDONJSA-N 222.357 2.917 0 40 BFAB C[C@H](c1nc(-c2ccsc2)no1)n1ccnc1 78773711 QRTCFHIKCZISKD-MRVPVSSYSA-N 246.295 2.604 0 40 BFAB CCNC(=O)N1CC[C@@H]1c1ccc(Cl)cc1 80612151 IGPJCAAUSYOGIM-LLVKDONJSA-N 238.718 2.816 0 40 BFAB O=Cc1ncc(-c2ccccc2F)s1 83239785 UMAJOTJHHFOQLP-UHFFFAOYSA-N 207.229 2.762 0 40 BFAB CCCOc1c(CNC)ccc(C)c1C 95094909 DJBDCVRUIPZEET-UHFFFAOYSA-N 207.317 2.812 0 40 BFAB CO[C@H](CNc1ccccn1)c1ccccc1 96429145 SIQHQNNMRSAZPA-CYBMUJFWSA-N 228.295 2.881 0 40 BFAB CC(C)c1ccc2nccc(NCCN)c2c1 222678011 SQLSORLZMCOXER-UHFFFAOYSA-N 229.327 2.729 0 40 BFAB CCC(CC)NC(=O)Cc1ccc(OC)c(C)c1 225638998 KXAHNYVZYXEHPS-UHFFFAOYSA-N 249.354 2.851 0 40 BFAB Cc1ccc([C@@H](O)c2ccc(N)cc2)c(C)c1 226292814 TWUDCYUKADQFGR-HNNXBMFYSA-N 227.307 2.967 0 40 BFAB CCCCS(=O)(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 245237824 YKMHRJYVUGTDFJ-IJLUTSLNSA-N 247.404 2.531 0 40 BFAB CCCCNCc1cnn(C2CCCC2)c1 256052987 PNZPMCDWTYSLRJ-UHFFFAOYSA-N 221.348 2.888 0 40 BFAB CC[C@H](C)n1nccc1CNc1cnn(C)c1C 256053209 QMZVGVFZIXCBJJ-JTQLQIEISA-N 247.346 2.508 0 40 BFAB Cc1ccc(CN2CC[C@@H](c3ccn[nH]3)C2)s1 257322495 WGEZRWQBRIUZRP-LLVKDONJSA-N 247.367 2.769 0 40 BFAB CCN(CC)[C@@H](C)CC(=O)Nc1ccccc1 556 HKOURKRGAFKVFP-LBPRGKRZSA-N 234.343 2.746 0 40 BFAB in-man Nc1ccccc1C(=O)Nc1cccnc1Cl 227766 WGPYXKVYVYAEIM-UHFFFAOYSA-N 247.685 2.570 0 40 BFAB C1=C[C@H]2C[C@@H]1C[C@@H]2CNCc1ccco1 810253 HLSOEDHCUUNGPI-GRYCIOLGSA-N 203.285 2.581 0 40 BFAB c1ccc(COCc2cncs2)cc1 1392735 VIBMYLKJXBFIGA-UHFFFAOYSA-N 205.282 2.860 0 40 BFAB CCOc1ccc2nc(NC(C)=O)sc2c1 1507992 SEZFMSBMRCMBCZ-UHFFFAOYSA-N 236.296 2.653 0 40 BFAB O[C@@H]1CSc2ccccc2-n2cccc21 1585391 OURJFZBVOQLNDN-LLVKDONJSA-N 217.293 2.616 0 40 BFAB CCSc1ccnc(SCC)n1 1662332 FHHZLSQKSIEFDG-UHFFFAOYSA-N 200.332 2.701 0 40 BFAB CCS(=O)(=O)Oc1cccc2ccccc12 2057796 HWLRYEWWNVJBAZ-UHFFFAOYSA-N 236.292 2.568 0 40 BFAB COc1cccc(CCC(=O)C2CCC2)c1 2516539 KXYHDASFFJMLHS-UHFFFAOYSA-N 218.296 2.997 0 40 BFAB C[C@@H]1CCCCN1C(=O)C1CCCCC1 2748088 MEVAOYUHYHMIBO-LLVKDONJSA-N 209.333 2.968 0 40 BFAB CC(C)(C)SCCNC(=O)c1ccco1 3170825 KHNZGVINOUJJKA-UHFFFAOYSA-N 227.329 2.541 0 40 BFAB Clc1ccccc1-c1nnc(CNC2CC2)o1 3411345 MBDFYORTHJQNEZ-UHFFFAOYSA-N 249.701 2.642 0 40 BFAB O=C1O[C@@H](c2ccccc2)O[C@H]1c1ccccc1 3844111 ZETHIMXJYSHLHZ-ZFWWWQNUSA-N 240.258 3.000 0 40 BFAB biogenic CC1(C)CC(NCc2ccccc2)=CC(=S)N1 5734391 VRFYAEOGQHQKDC-UHFFFAOYSA-N 246.379 2.759 0 40 BFAB CC(C)(C)C(=O)Nc1ccc(Cl)c(N)c1 8732389 ZJQARRSANBOYSS-UHFFFAOYSA-N 226.707 2.907 0 40 BFAB COc1c(Cl)cc([S@](=O)O)cc1Cl 12433108 GCLFUMGLMRPNIR-UHFFFAOYSA-N 241.095 2.583 0 40 BFAB Cc1ccccc1C(=O)Nc1c(C)nn(C)c1C 12878734 IDAIFFIJNIBPCZ-UHFFFAOYSA-N 243.310 2.598 0 40 BFAB c1ccc(CSc2nc3ncncc3[nH]2)cc1 13597273 IGOVQXQGQHKPLM-UHFFFAOYSA-N 242.307 2.645 0 40 BFAB CCN(CC)c1ccc(Br)cc1N 19475390 NEPCVZOOLZDMQJ-UHFFFAOYSA-N 243.148 2.878 0 40 BFAB COc1cccc2c(CCC(C)=O)c[nH]c12 20269302 QZQQMMIMRWUXSC-UHFFFAOYSA-N 217.268 2.698 0 40 BFAB CCOC(=O)c1c(C(C)C)nc2ccc(C)cn12 21986653 XKUJCIUTLNEAFB-UHFFFAOYSA-N 246.310 2.943 0 40 BFAB CCOc1cc(O)c(C(C)=O)cc1Cl 30769066 DVZQFPAGPRCXBP-UHFFFAOYSA-N 214.648 2.647 0 40 BFAB COC[C@H](C)NCc1cc(C)c(C)cc1C 34991623 ODMHGYGRWROYIX-ZDUSSCGKSA-N 221.344 2.736 0 40 BFAB Cc1cc(CCC(=O)O)ccc1Br 36205464 ZUKLUVVKWMUNQR-UHFFFAOYSA-N 243.100 2.775 0 40 BFAB in-vitro O=C(O)[C@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 37380719 IYYOCNQIQCLRHF-IUCAKERBSA-N 246.184 2.773 0 40 BFAB C[C@@H]1CCCN(Cc2cccc(O)c2)C1 39619531 QVDQDDRCNWEBIU-LLVKDONJSA-N 205.301 2.624 0 40 BFAB CCCC(=O)N1C[C@H](C)O[C@H](c2ccccc2)C1 41421358 GKLSZOUTWOXCQU-JSGCOSHPSA-N 247.338 2.775 0 40 BFAB COc1cccc(-c2cnc(C=O)s2)c1 45206036 LLVVNCQTDBXWGU-UHFFFAOYSA-N 219.265 2.631 0 40 BFAB COc1ccccc1/C=C/C(=O)N[C@@H](C)C(C)C 45520718 UQMKZAAYZYCKTA-VMPCVLLUSA-N 247.338 2.869 0 40 BFAB COC(=O)CCCC(=O)c1ccc(F)c(C)c1 49829208 CIEOGHCXNLDDDY-UHFFFAOYSA-N 238.258 2.660 0 40 BFAB CC(C)[C@@H](C)NC(=O)CCc1ccc(F)cc1 52834813 LNQSLOFUPKOAPQ-LLVKDONJSA-N 237.318 2.919 0 40 BFAB COc1c(C(F)(F)F)nc2c(C)cccn12 66087807 YXKINHMBCYHPCN-UHFFFAOYSA-N 230.189 2.670 0 40 BFAB CNC(=O)CCCCOc1cc(C)ccc1C 67476013 XOBZJIUFJIXIHP-UHFFFAOYSA-N 235.327 2.599 0 40 BFAB CCOC(=O)[C@@H](c1ccccc1)N(CC)CC 67732002 RLGHMSKPCSEMRE-CYBMUJFWSA-N 235.327 2.633 0 40 BFAB in-vitro Cc1nc(COc2nc(C(C)C)no2)cs1 71886144 FGIDOVHOOXVPFR-UHFFFAOYSA-N 239.300 2.537 0 40 BFAB c1ccc(Nc2ccc([C@H]3CCCN3)nc2)nc1 72376691 REJJRRNYOSDZDA-GFCCVEGCSA-N 240.310 2.645 0 40 BFAB Cc1nc(NC2CCCC2)cc([C@@H]2CCCN2)n1 72386470 SHPKUZGNFCHHMI-LBPRGKRZSA-N 246.358 2.564 0 40 BFAB CCCNC(=O)CCc1ccnc2ccccc12 78170055 KGCBOKGQGVRUQW-UHFFFAOYSA-N 242.322 2.694 0 40 BFAB CC[C@@H](C)Sc1nnc2cc(C)nc(C)n12 78838601 QWFARNSKWALCSS-MRVPVSSYSA-N 236.344 2.632 0 40 BFAB Cc1cc(-c2ccc(C(=O)O)cc2)sn1 83010652 AQNUMPFWFDRHHK-UHFFFAOYSA-N 219.265 2.817 0 40 BFAB in-vitro CC(C)(C)c1ccc2c(c1)[C@@H](CC(=O)O)CO2 84786102 CKJSRBCSUSLJRO-VIFPVBQESA-N 234.295 2.935 0 40 BFAB CCc1ccc(CN2CCOCC23CCC3)o1 93510102 SQTMATHRFAWZID-UHFFFAOYSA-N 235.327 2.597 0 40 BFAB Cc1ccc([N+]2=NCC3=C2C2=[N+](C=CC2)C3)cc1 96305387 GAIZLZGLZDKNAV-UHFFFAOYSA-N 237.306 2.743 0 40 BFAB Cc1cccnc1Cn1ccnc1C(C)C 97050421 HWRICDUKMJNHIV-UHFFFAOYSA-N 215.300 2.758 0 40 BFAB FC(F)(F)c1ccc([C@H]2CCCCN2)nc1 97758221 KMIAJXLGWLSMGG-SECBINFHSA-N 230.233 2.915 0 40 BFAB C[C@@H](O)c1cn(-c2ccc(C(C)(C)C)cc2)nn1 163364158 AEFIJKCFONOOJZ-SNVBAGLBSA-N 245.326 2.618 0 40 BFAB O=C(O)c1ccc(Cc2ccccc2Cl)[nH]1 217659606 DZNBTTHHUNNICL-UHFFFAOYSA-N 235.670 2.957 0 40 BFAB CCCO[C@H](Cc1cc(C)cc(C)c1)C(=O)O 225038259 IKGYOPZKWAPEEN-CYBMUJFWSA-N 236.311 2.726 0 40 BFAB CC(=O)Nc1cc(C(=O)O)cc(Cl)c1Cl 226354359 WSBJASDLYXSUCQ-UHFFFAOYSA-N 248.065 2.650 0 40 BFAB COC(=O)C1(c2cc(Cl)ccc2OC)CC1 257940572 CAEFXWZFIYQWFF-UHFFFAOYSA-N 240.686 2.553 0 40 BFAB CCN1[C@@H](C)Cc2[nH]ccc2[C@H]1C(C)C 260825948 WRQVWPDZJOZRFL-GXFFZTMASA-N 206.333 2.978 0 40 BFAB Cc1cc(C)n(-c2ncccc2C(F)(F)F)n1 1383780 FEJKDLIYEIHYKM-UHFFFAOYSA-N 241.216 2.903 0 40 BFAB On1c(-c2ccccc2)nc2ccccc21 1391331 MVXMDWWPPYZUGR-UHFFFAOYSA-N 210.236 2.941 0 40 BFAB COc1cccc(-c2noc([C@H]3CCCO3)n2)c1 2438749 BSXKPLGPZGNZJB-LLVKDONJSA-N 246.266 2.597 0 40 BFAB CCOc1cc(C=O)cc(Cl)c1OC 2767324 KBTYBYHNPJXGES-UHFFFAOYSA-N 214.648 2.560 0 40 BFAB in-vitro CNc1nc(-c2ccc3c(c2)OCO3)cs1 7844494 FBQWGHSWTBROQN-UHFFFAOYSA-N 234.280 2.581 0 40 BFAB O=Cc1cccn1-c1cc(C(=O)O)ccc1Cl 8701956 YSFWDNZQQNOTAM-UHFFFAOYSA-N 249.653 2.641 0 40 BFAB CCC[C@@H](C)C(=O)Nc1ccc(C)cc1N 8703507 BNALQDWLMFYPRZ-SNVBAGLBSA-N 220.316 2.952 0 40 BFAB C[C@@H](CCN)n1nc(C(F)(F)F)cc1C1CC1 12357774 SGLKOBQMDOHWEG-ZETCQYMHSA-N 247.264 2.689 0 40 BFAB O=C(NC1CCCCC1)c1ccnc(Cl)c1 12796259 SRZWKLQNIJMNOH-UHFFFAOYSA-N 238.718 2.798 0 40 BFAB C[C@@H](Nc1ncnc(Cl)c1N)c1ccccc1 17378108 DLNCMMJXFCBSMN-MRVPVSSYSA-N 248.717 2.885 0 40 BFAB CN(C)C(=O)c1cc(Cl)cc(Cl)c1 20117255 SPTXFOJLTSNLJY-UHFFFAOYSA-N 218.083 2.695 0 40 BFAB Cc1nc2ccccc2n1[C@H](C)C(=O)OC(C)C 26474479 SGHRECRYVSVICA-SNVBAGLBSA-N 246.310 2.857 0 40 BFAB CC(C)CCNC(=O)c1ccc(F)c(F)c1 28210436 NPUJTGNHAWSHHG-UHFFFAOYSA-N 227.254 2.741 0 40 BFAB CCN(CC)[C@@H](CN)c1ccc(Cl)cc1 32497019 DTKJQBJNCCDZKO-LBPRGKRZSA-N 226.751 2.682 0 40 BFAB CN(CC1CCCCC1)C(=O)c1cccnc1 32753011 UGMPQHMEWCMKOE-UHFFFAOYSA-N 232.327 2.734 0 40 BFAB CC[C@H](C)C(=O)Nc1cccc(NC(C)=O)c1C 32753732 NSPMDWSEAOFECW-VIFPVBQESA-N 248.326 2.938 0 40 BFAB CO[C@](C)(C(=O)O)c1ccc(Cl)cc1Cl 41922655 AWJQUODBXFQTAL-JTQLQIEISA-N 249.093 2.940 0 40 BFAB Cc1noc(CN(C)[C@@H](C)c2ccc(F)cc2)n1 42541156 FROHJBBSIDZRDG-VIFPVBQESA-N 249.289 2.710 0 40 BFAB CC[C@H](C)C(=O)NCc1ccccc1C 44895863 QCKDBNOYNGKQFL-JTQLQIEISA-N 205.301 2.657 0 40 BFAB Cc1cc(NC(=O)CC(C2CC2)C2CC2)no1 49174973 CWDKWJFVCXCLCK-UHFFFAOYSA-N 234.299 2.748 0 40 BFAB CCN(CCO)Cc1c(Cl)cccc1Cl 49754196 YCVRWFWACAGOKO-UHFFFAOYSA-N 248.153 2.808 0 40 BFAB CC(=O)N1CCC[C@H]1Cc1ccccc1Cl 55524118 HLRMXIMGJPUMPJ-LBPRGKRZSA-N 237.730 2.893 0 40 BFAB Cn1c([C@H](N)c2ccccc2)nc2ccccc21 57217488 DOEVDPVYKHFOHK-CQSZACIVSA-N 237.306 2.621 0 40 BFAB F/C(Br)=C\Br 59272717 SVTXQCIMTFGPTM-UPHRSURJSA-N 203.836 2.545 0 40 BFAB COc1ccc(Cl)c2ccc(C(=O)O)nc12 62618437 KVJOHCHVIMAQNB-UHFFFAOYSA-N 237.642 2.595 0 40 BFAB CC12C[C@@H]3C[C@H](C1)CC(NC(=O)C1CC1)(C3)C2 65090467 IMSRRLMKRATBAY-MPLXBHQASA-N 233.355 2.872 0 40 BFAB Cc1ccc(C)c(NC(=O)c2cccn2C)c1 69126833 IOMQDPRWVFLVJK-UHFFFAOYSA-N 228.295 2.894 0 40 BFAB CCOc1cc(C(=O)O)nc2c(C)cccc12 70451515 SKMAXGYFZYMREF-UHFFFAOYSA-N 231.251 2.640 0 40 BFAB CCN(CC)c1ncccc1[C@H]1CCCN1C 72212882 BFDULVKOBXHYMT-CYBMUJFWSA-N 233.359 2.695 0 40 BFAB CCN1CCC[C@@H]1c1ccc(N(C)C)nc1C 72218731 BEKOXTWNHIBRFW-CYBMUJFWSA-N 233.359 2.613 0 40 BFAB CCCCCNC(=O)NC(C)(C)C1CC1 72312627 URKFFRUUOSMAHP-UHFFFAOYSA-N 212.337 2.664 0 40 BFAB Cc1ccc(Br)c(F)c1C(=O)O 75914855 UWEYXKANOPMPLE-UHFFFAOYSA-N 233.036 2.595 0 40 BFAB Clc1csc2ncnc(Cl)c12 82046511 DGELLYDZWYBYEP-UHFFFAOYSA-N 205.069 2.998 0 40 BFAB COc1cc(F)c(C(=O)C2CCC2)cc1F 83255981 UHZYZHUZQROFRF-UHFFFAOYSA-N 226.222 2.956 0 40 BFAB c1c[nH]c([C@H]2CCCCN2CC2CCC2)n1 89884755 OLOHIOJKUVWYCN-GFCCVEGCSA-N 219.332 2.737 0 40 BFAB CCOC(=O)C1(c2ccc(Cl)cc2)CC1 95082047 DCGIXWUXINDLMC-UHFFFAOYSA-N 224.687 2.935 0 40 BFAB CNCc1cc(F)ccc1C(F)(F)F 95917592 ORMZUTUKBFFHRB-UHFFFAOYSA-N 207.170 2.564 0 40 BFAB O=C(O)c1cccc2sc(N3CCCC3)nc12 96516197 MEOKIGPOVQZRAB-UHFFFAOYSA-N 248.307 2.595 0 40 BFAB Cc1ccoc1C(=O)O[C@@H](C)Cc1cccnc1 97034382 OSMGNHDZCGNAIB-NSHDSACASA-N 245.278 2.771 0 40 BFAB CN(Cc1ccncc1)Cc1cc(F)cc(F)c1 97113734 GPRKEFROIMHVEM-UHFFFAOYSA-N 248.276 2.992 0 40 BFAB CC[C@@H](NCC(F)(F)F)c1c(C)nn(C)c1C 97374413 CFVUZRBKFCJLDE-SECBINFHSA-N 249.280 2.640 0 40 BFAB Cc1cccc(-c2nc([C@@H]3CCOC3)no2)c1 98019208 RLXULDNFPYEKFN-LLVKDONJSA-N 230.267 2.549 0 40 BFAB Cc1ccc(CC(=O)O)c(F)c1C(F)(F)F 98210809 QQPRKWAIIZCCJR-UHFFFAOYSA-N 236.164 2.780 0 40 BFAB Cc1c(Br)ccc2c1C(=O)CC2 167410176 VYCICRIMTRDJBO-UHFFFAOYSA-N 225.085 2.886 0 40 BFAB CCCN1CCC[C@@H]1CCCNC(C)C 218327892 VAVKBIJHUZSZFZ-ZDUSSCGKSA-N 212.381 2.639 0 40 BFAB N[C@@H](C[C@H](CCO)C(F)(F)F)c1ccccc1 256053449 RMVNTJUVZGGYGE-QWRGUYRKSA-N 247.260 2.637 0 40 BFAB Fc1ccccc1-c1cncc([C@@H]2CCCN2)n1 616576790 ZBTZTXLIMGIFBB-LBPRGKRZSA-N 243.285 2.707 0 40 BFAB CC1(C)C[C@H](NCc2cc[nH]c2)CCS1 897797515 HWNLNMYLFYCXQP-LLVKDONJSA-N 224.373 2.779 0 40 BFAB Cc1cc(C)cc(C(=O)NCc2ccncc2)c1 1942 JROSDBYIFZWPBP-UHFFFAOYSA-N 240.306 2.628 0 40 BFAB in-man Cc1ccc(C(=O)NC(C)C)c(Cl)c1 458422 WLVVTALGNPEFOT-UHFFFAOYSA-N 211.692 2.787 0 40 BFAB Nc1ccccc1S[C@@H]1CCCC[C@H]1O 1843175 LLKIGPGOZQEUOL-ZYHUDNBSSA-N 223.341 2.664 0 40 BFAB COC(=O)CC(=O)c1ccc2ccccc2c1 2380226 GSGIHNDYVVJGHS-UHFFFAOYSA-N 228.247 2.586 0 40 BFAB Cc1ccc(-c2n[nH]c(=O)c3ccccc23)s1 4025179 UZWUFHDMUPKKQP-UHFFFAOYSA-N 242.303 2.960 0 40 BFAB CC1=C[C@H](C)[C@@H](C)[C@@H](C(=O)NCC(C)C)C1 4794963 ILWKDNXFTDQNAN-XQQFMLRXSA-N 223.360 2.997 0 40 BFAB O=C(Nc1nccs1)C12CCC(CC1)C2 4853668 OYLAGNWDKWKWMU-UHFFFAOYSA-N 222.313 2.662 0 40 BFAB c1ccc(CSc2ccccn2)nc1 5572584 ZOTNHFUTCQDXPD-UHFFFAOYSA-N 202.282 2.769 0 40 BFAB CC1=C(c2ccco2)[C@H](c2ccco2)OC1=O 5757479 NGZIRXFYGLFTII-LBPRGKRZSA-N 230.219 2.944 0 40 BFAB CCOc1ccccc1-c1cn2ncsc2n1 7994978 KXJLWRKIWHCCHG-UHFFFAOYSA-N 245.307 2.857 0 40 BFAB CCCNC(=O)c1cc2cc(C)ccc2nc1C 8923332 WRMUMOWZEMIIIM-UHFFFAOYSA-N 242.322 2.991 0 40 BFAB C/C(=C/C(=O)O)C(=O)Nc1ccccc1C(C)C 11565787 SHZMYACZDGMWCM-NTMALXAHSA-N 247.294 2.779 0 40 BFAB O=C(O)c1cc(-c2ccc3c(c2)CCCC3)on1 11801760 MDDFONXEGJZDDG-UHFFFAOYSA-N 243.262 2.919 0 40 BFAB CCCc1noc(CN2CCCCCCC2)n1 12072379 CKPGGRKKBVDKII-UHFFFAOYSA-N 237.347 2.788 0 40 BFAB C[C@H]1CCCC[C@@H]1NC1=NC[C@@H](C)S1 12504591 JAFZMDNLUBMVJS-AEJSXWLSSA-N 212.362 2.646 0 40 BFAB C[C@H](C1CC1)N(C)C(=O)c1ccccc1 12974522 AMTGZUDJIQHYFF-SNVBAGLBSA-N 203.285 2.557 0 40 BFAB O=C(Nc1ccc(F)c(F)c1)c1ccoc1 16199842 QMVRZKLRCLQUAU-UHFFFAOYSA-N 223.178 2.810 0 40 BFAB CCCOc1ccc(CNC)cc1OCC 19777044 AUPGSPIVNFHVRX-UHFFFAOYSA-N 223.316 2.594 0 40 BFAB Clc1cccc(CNCCN2CCCC2)c1 20126961 FZTNJXWTFSJRLM-UHFFFAOYSA-N 238.762 2.525 0 40 BFAB C[C@H](CC(=O)O)c1ccc(F)cc1F 20260005 JROPKMLQQNKNMQ-ZCFIWIBFSA-N 200.184 2.543 0 40 BFAB in-vitro COC(=O)COc1c(C)cc(Cl)cc1C 20297740 YRQDYXHNXBBQDZ-UHFFFAOYSA-N 228.675 2.509 0 40 BFAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N(C)C 30873742 OKXDVQTWSBLWDV-NSHDSACASA-N 241.718 2.586 0 40 BFAB Cc1ccc(-c2nnc([C@H]3CCCNC3)o2)cc1 32101193 HGNCPLQTCNGBCM-LBPRGKRZSA-N 243.310 2.512 0 40 BFAB CN(C)Cc1c[nH]c2c(Cl)cccc12 32303348 MPRBMXVJWHETAC-UHFFFAOYSA-N 208.692 2.883 0 40 BFAB in-vitro C[C@H]1CCCC[C@H]1N(C)C(=O)c1ccccn1 32787680 YDVCNRVXMIOIGS-WCQYABFASA-N 232.327 2.732 0 40 BFAB O=C(Cc1cccs1)N(O)Cc1ccccc1 34118238 HHOQPUCLRSBCOF-UHFFFAOYSA-N 247.319 2.709 0 40 BFAB CCOC(=O)c1[nH]c2c(F)cccc2c1C 34925324 FELQWPGMTRNCFI-UHFFFAOYSA-N 221.231 2.792 0 40 BFAB CCc1ccc(C(C)(C)C(=O)OC)cc1 38917026 NOEXVITUEIEJHK-UHFFFAOYSA-N 206.285 2.700 0 40 BFAB CC[C@H](C)n1c(CNC)nc2ccccc21 40163803 XSWVWXBNSXOLBM-JTQLQIEISA-N 217.316 2.727 0 40 BFAB Cc1ccccc1CCNC(=O)C1CCCC1 40460949 ZNMFYTKHNXQESV-UHFFFAOYSA-N 231.339 2.844 0 40 BFAB Cc1cc(C)cc(OCC(=O)NCCC(C)C)c1 41104100 RAENHISQOHZOOZ-UHFFFAOYSA-N 249.354 2.845 0 40 BFAB CCCCCC(=O)OCCCSC 44029962 NZDCNAMVIRTJPL-UHFFFAOYSA-N 204.335 2.863 0 40 BFAB Cc1occc1-c1nn2c(C3CC3)nnc2s1 44900783 FVZHEHVPOUHOMC-UHFFFAOYSA-N 246.295 2.632 0 40 BFAB Cc1ccc(C(=O)c2ccc(F)c(F)c2)cn1 45029095 QGWOWONKMKCWGJ-UHFFFAOYSA-N 233.217 2.899 0 40 BFAB CCN(C(=O)[C@@H](C)N1CCCC1)c1ccccc1 52858172 CBGHAOYZENNQBJ-CYBMUJFWSA-N 246.354 2.524 0 40 BFAB CCOc1c(Br)ccc2[nH]ncc12 59691146 NMZYANUDQSAWMB-UHFFFAOYSA-N 241.088 2.724 0 40 BFAB CCOc1cc(C(=O)O)nc2ccc(CC)cc12 72221270 DHFMFHBQGRVCAE-UHFFFAOYSA-N 245.278 2.894 0 40 BFAB CCNC(=O)N[C@@](C)(CC)c1ccccc1 72271559 CSUHBLJJJOVLPJ-ZDUSSCGKSA-N 220.316 2.631 0 40 BFAB CC(C)(C)CC(=O)N1CCC[C@@H]1c1cc[nH]n1 72361371 DGEIRIRFLICNKK-LLVKDONJSA-N 235.331 2.509 0 40 BFAB Cn1cc(-c2noc(C3CCCCCC3)n2)cn1 74124697 HJPBDUQVBNPKQU-UHFFFAOYSA-N 246.314 2.908 0 40 BFAB O=C(O)[C@@H]1CCCn2cc(-c3ccccc3)nc21 75923260 MNKCAGIWXYKYKM-LLVKDONJSA-N 242.278 2.512 0 40 BFAB Cc1ccc(OCc2noc(C(C)(C)C)n2)nc1 76019712 YVLCXIXPPNWKHJ-UHFFFAOYSA-N 247.298 2.650 0 40 BFAB CC(C)CC(C)(C)CNCc1ncc[nH]1 83476145 ABLZDRRHNAAQDG-UHFFFAOYSA-N 209.337 2.572 0 40 BFAB CC1CC(C(=O)N2CCOc3cc(F)ccc32)C1 84766848 TVAZTFAHKOCFJR-UHFFFAOYSA-N 249.285 2.597 0 40 BFAB CC(C)(N)[C@@H](CC(=O)O)c1ccc(Cl)cc1 85118195 MEIXRUWEWJUTFS-JTQLQIEISA-N 241.718 2.636 0 40 BFAB COC(=O)/C=C\c1ccc(C(F)(F)F)cc1 87493400 YUEFITCWDISQAO-DAXSKMNVSA-N 230.185 2.892 0 40 BFAB CCN(CC)[C@H](C)C(=O)Nc1ccc(C)cc1 95902728 AFTVATCFZSMIFA-GFCCVEGCSA-N 234.343 2.664 0 40 BFAB COc1cccc([C@H](C)N[C@]2(C)CCOC2)c1 97038559 WIADIDWOFLZPIB-SMDDNHRTSA-N 235.327 2.525 0 40 BFAB COc1cccc([C@@H](C)N[C@]2(C)CCOC2)c1 97038561 WIADIDWOFLZPIB-BXUZGUMPSA-N 235.327 2.525 0 40 BFAB C[C@@H](CO)N[C@@H]1C[C@H](c2ccccc2)C1(C)C 123357745 BUHSTDYMOSNGSY-IACUBPJLSA-N 233.355 2.539 0 40 BFAB COC(=O)c1ccccc1C[Si](C)(C)C 196490014 PKYHEBNCHVLDEY-UHFFFAOYSA-N 222.360 2.893 0 40 BFAB CCCCCC[C@@H](NN)c1ccc(O)cc1 199537274 DHGHABTYWPKXDL-CYBMUJFWSA-N 222.332 2.867 0 40 BFAB CC(C)CO[C@H](CO)Cc1ccc(Cl)cc1 204759463 YOSPRPJZEFVNFF-ZDUSSCGKSA-N 242.746 2.916 0 40 BFAB Cc1cc(Cl)cc2c(NCCN)ccnc12 222679726 JFEWHQYFXCCRFW-UHFFFAOYSA-N 235.718 2.567 0 40 BFAB CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@](C)(O)[C@H]2CO 245377536 MLWFPIRGSGERCY-AYRXBEOTSA-N 240.387 2.972 0 40 BFAB C[C@H](c1ccccc1)N1CCN[C@H]2CCCC[C@@H]21 252515301 IGOISJROXVLNGR-KBMXLJTQSA-N 244.382 2.964 0 40 BFAB CCCn1ccc(CNCc2cccc(F)c2)n1 256052399 NDPKQUHCYHPTAS-UHFFFAOYSA-N 247.317 2.722 0 40 BFAB CCOc1ccc(CNc2nn(C)cc2C)cc1 256052421 NFDUBLAYURVCSF-UHFFFAOYSA-N 245.326 2.739 0 40 BFAB CC(C)CCNCc1ccnn1CC(F)(F)F 256053727 SPFLEEUVYVOTQB-UHFFFAOYSA-N 249.280 2.581 0 40 BFAB CC[C@H](C)C(=O)c1ccccc1C(=O)OC 309508226 NCFYSJNEIHAWKP-VIFPVBQESA-N 220.268 2.702 0 40 BFAB Cc1ccc(CC(=S)N2CCOCC2)cc1C 409393808 YGALURFXTNGQGG-UHFFFAOYSA-N 249.379 2.506 0 40 BFAB CCOc1c(F)cc(C(=O)OC)cc1Cl 642814822 YPUOFUMPUMVYOI-UHFFFAOYSA-N 232.638 2.664 0 40 BFAB c1ccc(-c2nnc(-c3ccco3)o2)cc1 261854 RUMMFSKZAJIGOV-UHFFFAOYSA-N 212.208 2.997 0 40 BFAB in-vitro O=c1oc2ccccc2cc1C(F)(F)F 2510739 GKWWIZOKXSWGTQ-UHFFFAOYSA-N 214.142 2.812 0 40 BFAB CC(C)(C)Sc1nnc(S)s1 2511410 KZFGKIXWACKGOM-UHFFFAOYSA-N 206.361 2.717 0 40 BFAB CCCCOC(=O)c1ccc(N(C)C)cc1 2566139 FOYJYXHISWUSDL-UHFFFAOYSA-N 221.300 2.710 0 40 BFAB CCCCN(CCCC)C(=O)CCCC(=O)O 3663293 DYTDXFORVITPGA-UHFFFAOYSA-N 243.347 2.670 0 40 BFAB C/C=C/[C@H]1OC[C@]2(CO)[C@@H](C)[C@H]1C(C)=C[C@H]2C 4026829 RQCLRCULEFIVSO-UZVWGCSKSA-N 236.355 2.788 0 40 BFAB O=C(N[C@@H]1CCCc2ccccc21)C1CC1 5442890 POWZJPWFNIZOSW-CYBMUJFWSA-N 215.296 2.590 0 40 BFAB COc1cccc(C)c1[C@H]1C[C@@H]2CCCN2O1 5641129 SHGNNDWQMPJFTO-WCQYABFASA-N 233.311 2.844 0 40 BFAB Cc1cccc(C(=O)N[C@@H](C)c2ccncc2)c1 6125274 OWMLHVKNNICWGS-LBPRGKRZSA-N 240.306 2.881 0 40 BFAB OCc1cccn1-c1ccc(Cl)cc1 8701643 YRMHNMXSSULCBT-UHFFFAOYSA-N 207.660 2.623 0 40 BFAB CCC[C@H](C)C(=O)Nc1ccc(C)cc1N 8703508 BNALQDWLMFYPRZ-JTQLQIEISA-N 220.316 2.952 0 40 BFAB CC[C@H](C)C(=O)Nc1cccc(C(C)=O)c1 13010576 LQPUNXJSKPAXLM-VIFPVBQESA-N 219.284 2.874 0 40 BFAB CCCCNC(=S)Nc1ccc(F)cc1 13656707 ZJBGMYPSRDKDSD-UHFFFAOYSA-N 226.320 2.912 0 40 BFAB C[C@H](CC(=O)O)CC(=O)c1cccc(F)c1 15441754 XCSHSEIDKXYFON-QMMMGPOBSA-N 224.231 2.509 0 40 BFAB COc1ccc(NCc2cccc(F)c2)cn1 19877569 PMCUMHBCSZQTNP-UHFFFAOYSA-N 232.258 2.841 0 40 BFAB C[C@H](NC=O)c1ccc(Cl)cc1Cl 20130224 YSTFKRRJKIBZRK-LURJTMIESA-N 218.083 2.800 0 40 BFAB CCn1cc(NCc2cccc(OC)c2)cn1 20350416 UCCZKTMSSFDLAH-UHFFFAOYSA-N 231.299 2.524 0 40 BFAB Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)O 21955626 RWSRIUVQFIXDLK-SNVBAGLBSA-N 222.284 2.970 0 40 BFAB in-vitro CCOc1ccc([C@@H](C)NC2CC2)cc1 22142823 HWCXZXVGWYDWOV-SNVBAGLBSA-N 205.301 2.898 0 40 BFAB O=C1CC[C@@]2(c3ccccc3)CCCC[C@H]2N1 22339824 XYFGEZKHSOPVRG-UKRRQHHQSA-N 229.323 2.777 0 40 BFAB O=C(Nc1ccccc1Cl)C1CCOCC1 25130662 XIZKQFSRTCVKOW-UHFFFAOYSA-N 239.702 2.705 0 40 BFAB CCOC(=O)c1[nH]c2ccc(Cl)cc2c1O 26896651 MORSEFPUOZKFOS-UHFFFAOYSA-N 239.658 2.704 0 40 BFAB c1ccc(-c2cnc(CN3CCCC3)o2)cc1 32642348 ADECMBILLHGZRD-UHFFFAOYSA-N 228.295 2.937 0 40 BFAB FC(F)(F)c1ccc2c(c1)NCCN2 34578538 HRYYGXILZUZAED-UHFFFAOYSA-N 202.179 2.543 0 40 BFAB Cc1n[nH]cc1CN[C@H](C)CCc1ccccc1 36901625 OLUJTDURVIVRLY-GFCCVEGCSA-N 243.354 2.829 0 40 BFAB O=C(CCc1cccs1)NCC1CCCC1 40074448 UHHXTHBOWXNGAQ-UHFFFAOYSA-N 237.368 2.987 0 40 BFAB Cc1cc(C)cc(OCC(=O)N[C@@H](C)C(C)C)c1 41104093 UTGVLHBGWJNXQM-ZDUSSCGKSA-N 249.354 2.843 0 40 BFAB OC[C@H](c1cccc(Cl)c1)N1CCCCC1 41282810 HOOGQYXOVYJIDQ-CYBMUJFWSA-N 239.746 2.859 0 40 BFAB CC(C)CN(CC(C)C)C[C@@H]1CCCCN1 42034602 IJDXGAVNCZTKGD-AWEZNQCLSA-N 226.408 2.743 0 40 BFAB COC(=O)c1ccc(C(F)(F)F)c(C)c1 47202436 DRGOQPBBHLQCFB-UHFFFAOYSA-N 218.174 2.800 0 40 BFAB in-vitro CCNCc1cc(-c2ccc(Cl)cc2)n[nH]1 50479011 BVSXAZNFTHDPFW-UHFFFAOYSA-N 235.718 2.840 0 40 BFAB CC(C)c1nc(CCNc2cccc(F)c2)n[nH]1 62719122 PNLVVSWACNODFC-UHFFFAOYSA-N 248.305 2.722 0 40 BFAB Nc1nc2ccc(-c3ccncc3)cc2s1 66259404 JDPMTRLFCSHYGB-UHFFFAOYSA-N 227.292 2.941 0 40 BFAB O[C@@H]1CCN(Cc2cc(Cl)ccc2Cl)C1 72203666 KFFYBXDRTKRBKZ-SNVBAGLBSA-N 246.137 2.560 0 40 BFAB Cc1nc(NC(C)(C)C)ccc1[C@@H](C)O 72225012 IKGBIXPLBDOJTI-SECBINFHSA-N 208.305 2.654 0 40 BFAB CC(=O)c1cc(C(F)(F)F)nn1C(C)C 75587319 KULAWHQNAXFZPE-UHFFFAOYSA-N 220.194 2.685 0 40 BFAB Cc1cc(Br)c(C)c(O)c1C=O 76676144 BZDXEZBUMGAKCJ-UHFFFAOYSA-N 229.073 2.584 0 40 BFAB CSC[C@H](C)OC(=O)c1cccnc1Cl 79014807 LXLTYLVUGWVYNQ-ZETCQYMHSA-N 245.731 2.643 0 40 BFAB Brc1cc2c(cn1)CCCC2 84311475 SUFGZFUKVDHKLI-UHFFFAOYSA-N 212.090 2.723 0 40 BFAB O=C(O)[C@@H]1CCC[C@@H]1c1ccc(F)cc1 87926759 JFQCUKYOMXNXRH-GHMZBOCLSA-N 208.232 2.794 0 40 BFAB O=C(c1cccs1)N1C[C@H]2CC=CC[C@@H]2C1 89799903 FDGUUEWNXDFVOP-GHMZBOCLSA-N 233.336 2.786 0 40 BFAB C[C@@H](NC1COC1)c1cccc(C(F)(F)F)c1 94710055 HQWURGWMKGTQQO-MRVPVSSYSA-N 245.244 2.755 0 40 BFAB c1ccc(CNC[C@H]2CNc3ccccc32)cc1 95635423 INGHOQQVVBBPJH-AWEZNQCLSA-N 238.334 2.986 0 40 BFAB C[C@H]1CCCN(Cc2cc(F)ccc2C=O)C1 95738686 VIPFRMZPZSPAMR-NSHDSACASA-N 235.302 2.870 0 40 BFAB CC(C)CN1CC[C@@H](C(=O)O)c2ccccc21 96515736 UVWCFVIWXDTBFC-GFCCVEGCSA-N 233.311 2.721 0 40 BFAB Cc1nnc(CN[C@H](c2ccccc2)C(C)C)o1 96982332 CINWEJKOQXNDNP-AWEZNQCLSA-N 245.326 2.865 0 40 BFAB Cc1ccc(SCc2cc(O)n(C)n2)cc1 100912275 SKBWAEWFAWZARX-UHFFFAOYSA-N 234.324 2.726 0 40 BFAB C[C@]12CC[C@@H](C(=O)C1)[C@@]1(C)CCCC(=O)[C@H]21 103051454 UEPGLNMUFRMDAW-GSVCSZOMSA-N 220.312 2.751 0 40 BFAB CC[C@H](O)CN[C@H](C)[C@H](C)c1ccccc1 108469532 PXEKSGOZQYXUGP-SCRDCRAPSA-N 221.344 2.539 0 40 BFAB Nc1ccc2nc3c(nc2c1)[C@@H]1CC[C@@H]3C1 217622384 UPAPBXDVEQUVGD-HTQZYQBOSA-N 211.268 2.577 0 40 BFAB O=C(Cc1cccs1)NCCCc1ccco1 225298827 SPILFTQSJAZIOL-UHFFFAOYSA-N 249.335 2.633 0 40 BFAB CCc1cc(N)cc(Br)c1N(C)C 226315879 WIOSRTMQNMDBRS-UHFFFAOYSA-N 243.148 2.660 0 40 BFAB CN(c1ccncc1)c1cccc(O)c1 228917732 KCTWNINCGAIAJH-UHFFFAOYSA-N 200.241 2.555 0 40 BFAB CCn1c(C)nnc1N(C)c1cccc(C)c1 334988760 QGSVOKTZGZRWJM-UHFFFAOYSA-N 230.315 2.683 0 40 BFAB CCc1cc2c(N3CCCC3)ncnc2s1 349919 BMCSDWHTOFJIFL-UHFFFAOYSA-N 233.340 2.854 0 40 BFAB Cc1ccc(F)c(NC(=O)c2cc(C)on2)c1 372155 ITQNYJHFIQVBMK-UHFFFAOYSA-N 234.230 2.683 0 40 BFAB CCSc1ccccc1C(=O)NC(C)C 713335 HXJVLIDIGURGOH-UHFFFAOYSA-N 223.341 2.937 0 40 BFAB CCCCc1n(O)c(-c2ccccc2)c(C)[n+]1[O-] 1568645 CAIORSUOYPRKLB-UHFFFAOYSA-N 246.310 2.677 0 40 BFAB C[C@H]1OC(C(Cl)(Cl)Cl)O[C@@H]1C 1656287 XPVRYPSUEFTEKE-QWWZWVQMSA-N 219.495 2.507 0 40 BFAB O=C1CCC(=O)N1c1ccc(Cl)cc1Cl 3161455 CILRPNWGXZWSEA-UHFFFAOYSA-N 244.077 2.647 0 40 BFAB COc1ccc(OC)c([C@@H]2CCCCN2)c1 3734677 LBTQGYXODREEQW-LBPRGKRZSA-N 221.300 2.518 0 40 BFAB CN(C)C1CCCCC(N(C)C)CCCC1 3847709 VQFBHHBERXAYKU-UHFFFAOYSA-N 226.408 2.981 0 40 BFAB biogenic C[C@@H]1CCCCN1C(=O)c1n[nH]c2ccccc12 12525509 IYOLHNHNMZPKQW-SNVBAGLBSA-N 243.310 2.578 0 40 BFAB Clc1cccc(COC[C@@H]2CCCNC2)c1 14631105 DGJOBUUOVVZXNO-GFCCVEGCSA-N 239.746 2.856 0 40 BFAB in-vitro COc1ccc(NCc2ccncc2)c(OC)c1 19903358 AYQXILAPFVCLJT-UHFFFAOYSA-N 244.294 2.711 0 40 BFAB C[C@H](N)CCc1ccc(OC(F)F)cc1 22178023 WIPYLPMYVGMHHX-QMMMGPOBSA-N 215.243 2.568 0 40 BFAB CC(=O)Nc1c(C)cccc1C(=O)OC(C)C 23053401 WBKXJJWIOFLXNJ-UHFFFAOYSA-N 235.283 2.519 0 40 BFAB Cc1cc(C(=O)N2CCC[C@@H](C)C2)c(C)o1 28225689 HFVYRKBWJGEEKK-SECBINFHSA-N 221.300 2.769 0 40 BFAB CCCC[C@H](C(=O)O)[C@@H](CCCC)C(=O)O 34406499 BQNDPALRJDCXOY-AOOOYVTPSA-N 230.304 2.768 0 40 BFAB CCCNCc1cc(C)c(OC)c(C)c1 34656976 BPQWIAZONVSEHO-UHFFFAOYSA-N 207.317 2.812 0 40 BFAB CC[C@@H](C)N[C@@H]1CCc2ccccc2C1 34994254 DWSRRLUXUCZMOR-BXUZGUMPSA-N 203.329 2.932 0 40 BFAB CCOC(=O)Cc1nc(C(C)C)c(C)s1 37755181 QRRARGMNVPOSKK-UHFFFAOYSA-N 227.329 2.681 0 40 BFAB in-vitro COc1cccc(CC(=O)c2cccnc2)c1 38125350 MCTYJNJITLRZKY-UHFFFAOYSA-N 227.263 2.516 0 40 BFAB CCOc1c(F)cc(CC(=O)O)cc1Cl 38529989 ZKDDGBLYOWWDAR-UHFFFAOYSA-N 232.638 2.505 0 40 BFAB Nc1nnc(-c2ccc(-c3ccccc3)cc2)o1 43830252 LSVVDJZSJUIFHI-UHFFFAOYSA-N 237.262 2.986 0 40 BFAB COc1cccc(C(=O)c2ccccc2C)n1 45028716 BLWZNFYQCUVTIF-UHFFFAOYSA-N 227.263 2.630 0 40 BFAB O[C@H]1CCCC[C@@H]1NCc1ccc(Cl)s1 51993565 FYANXEZERPROBK-UWVGGRQHSA-N 245.775 2.795 0 40 BFAB NCc1cc(C(F)(F)F)nc2ccccc12 71788836 PWNGBSMTUJQKBY-UHFFFAOYSA-N 226.201 2.712 0 40 BFAB CCCNc1noc2ccc(OC)cc12 72208990 FCJBXDLQNZVXFW-UHFFFAOYSA-N 206.245 2.658 0 40 BFAB Cc1cncc(C2CCN(C3CCCC3)CC2)n1 72381171 LIALVKBQGIFSPQ-UHFFFAOYSA-N 245.370 2.907 0 40 BFAB Nc1ccc(Br)cc1OCC1CC1 83732133 NFELTKIQPDARDT-UHFFFAOYSA-N 242.116 2.820 0 40 BFAB Cc1cccnc1CN(C)[C@@H](C)C1CC1 93158296 AKPUCYXNGWFWSX-NSHDSACASA-N 204.317 2.620 0 40 BFAB Cc1ccsc1C(=O)NC(=N)C(C)(C)C 95452481 LOPPVWMVPWJVDH-UHFFFAOYSA-N 224.329 2.810 0 40 BFAB C[C@H]1CCC[C@@H]1N(CCO)Cc1ccsc1 95457077 HVQWDAHZWDCHGU-AAEUAGOBSA-N 239.384 2.731 0 40 BFAB O=C(O)C1(c2ccc(F)c(Cl)c2)CCC1 95763500 WTCAWGMAZBZPFS-UHFFFAOYSA-N 228.650 2.985 0 40 BFAB C[C@@H](O)C1CCN(CCC2CCCC2)CC1 96424217 JQTWDDASCGCHRC-GFCCVEGCSA-N 225.376 2.660 0 40 BFAB Cc1noc([C@@H](C)SCc2ccccn2)n1 96494683 GRCRVVQGXPCOSI-MRVPVSSYSA-N 235.312 2.767 0 40 BFAB C[C@H]1C[C@H](NCC(C)(C)CCO)CC[C@H]1C 97379735 PORANGSONGZKAI-FRRDWIJNSA-N 227.392 2.809 0 40 BFAB O=C(N[C@H]1CC[C@H](F)C1)OCc1ccccc1 98089964 NDVBOSIQTJVVNB-RYUDHWBXSA-N 237.274 2.803 0 40 BFAB C[C@H](c1cccc(Cl)c1)N1CCC[C@@H](O)C1 100213376 JWCOLZVFSATOJX-ZWNOBZJWSA-N 239.746 2.858 0 40 BFAB C[C@H]1CCCCCN1C(=O)C1CC=CC1 104131554 HWJRXOSXSXDYTJ-NSHDSACASA-N 207.317 2.744 0 40 BFAB O=C(c1sccc1Br)C(F)F 156624999 OXBDCTGSWUNCAH-UHFFFAOYSA-N 241.056 2.958 0 40 BFAB CC[C@H](N[C@H](COC)C(C)C)c1ccncc1 163762068 URFPPOOJLSCYSW-UONOGXRCSA-N 236.359 2.793 0 40 BFAB Cc1ccc2c(=O)n(C(F)F)ccc2c1 242547821 KUOPIPKCMCHFEV-UHFFFAOYSA-N 209.195 2.705 0 40 BFAB CCOC(=O)c1ccsc1C(F)(F)F 252499847 SGHTUXTXSRKUFH-UHFFFAOYSA-N 224.203 2.944 0 40 BFAB CCOC(=O)c1cc(F)cc(C)c1Cl 306603379 MLTXWPGZWYOPIJ-UHFFFAOYSA-N 216.639 2.964 0 40 BFAB in-vitro COc1ccc([C@@H]2CC2(F)F)cc1OC 2362801303 CNBXKIPKXPOSMK-QMMMGPOBSA-N 214.211 2.826 0 40 BFAB O=C(O)C1(NC2CCCCC2)CCCCC1 1685013 ZPGPKDWSFQOVJZ-UHFFFAOYSA-N 225.332 2.696 0 40 BFAB CC[C@@H](C)NC(=O)c1cc(Cl)ccc1O 1689014 RQYXVZYBAZYMNB-SSDOTTSWSA-N 227.691 2.574 0 40 BFAB CN1CCC(c2ccc3[nH]ccc3c2)CC1 2526995 BZIKMMJQUCIWCQ-UHFFFAOYSA-N 214.312 2.977 0 40 BFAB CCCNc1nc(Cl)nc(NC(C)(C)C)n1 3099666 XRBWEUZVBFNDDW-UHFFFAOYSA-N 243.742 2.557 0 40 BFAB CCCCC[C@H]1C[C@H](O)C=C(C)[C@@H]1C(=O)OC 3995539 WQGFGVARUZYEFH-XQQFMLRXSA-N 240.343 2.683 0 40 BFAB CCN1C[C@@H](C)[C@](O)(c2ccccc2)C[C@@H]1C 4031412 XLCYCZFQMQVQNF-IPYPFGDCSA-N 233.355 2.624 0 40 BFAB O=C(O)c1ccc(Cl)c(N2CCCC2)c1 4245087 MJZZIRLKGSRLKN-UHFFFAOYSA-N 225.675 2.638 0 40 BFAB NCc1cccc(-c2cccc(F)c2)c1 5763252 VQCFWPAIQMAAJX-UHFFFAOYSA-N 201.244 2.951 0 40 BFAB CCOc1c(CN[C@H](C)CC)cccc1OC 8326025 MRSZDPLRBMCXGH-LLVKDONJSA-N 237.343 2.982 0 40 BFAB COc1cc(C=O)c(Cl)cc1N1CCCC1 8702888 WQBKUAVIFRMXDF-UHFFFAOYSA-N 239.702 2.761 0 40 BFAB Nc1nc(-c2ccccc2)c(-c2ncc[nH]2)s1 8725238 YOBHWHHXOSTSQI-UHFFFAOYSA-N 242.307 2.782 0 40 BFAB CC[C@@H](C)C(=O)Nc1ccc(Cl)c(N)c1 8732391 KOXMDAFEUSWQAH-SSDOTTSWSA-N 226.707 2.907 0 40 BFAB CCOC(=O)[C@@H]1CCCN(C2CCCCC2)C1 9434363 KVCAQRLJQHDVIX-GFCCVEGCSA-N 239.359 2.594 0 40 BFAB Cc1cc(Nc2ccc(F)cc2)ncn1 11902760 YMSKHLOMQBOWEK-UHFFFAOYSA-N 203.220 2.668 0 40 BFAB Cc1ccc(NC(=O)CC2CCCC2)nc1 12526778 DCWVVHSGKYTKPH-UHFFFAOYSA-N 218.300 2.909 0 40 BFAB C[C@H]1CCCCN1C[C@@H](CO)c1ccccc1 12650201 UIKUEKDWMHIBRL-ZFWWWQNUSA-N 233.355 2.637 0 40 BFAB CC(C)CC(=O)N[C@H]1CCCc2occc21 12922021 ZFVMHUMCUWUUFY-NSHDSACASA-N 221.300 2.819 0 40 BFAB Oc1cccc(/C=C/c2cc(O)cc(O)c2)c1 13340921 QUGCFFKLKWANMQ-SNAWJCMRSA-N 228.247 2.974 0 40 BFAB biogenic CCCc1cc(OC)c(C[C@H](C)N)cc1OC 13450449 UEEAUFJYLUJWQJ-JTQLQIEISA-N 237.343 2.546 0 40 BFAB Cc1ccc(CNC(=O)Cc2ccsc2)cc1 15623951 QWNYUGBXSGZZQN-UHFFFAOYSA-N 245.347 2.915 0 40 BFAB CCNC(=O)Nc1nc2ccc(C)cc2s1 16681715 SMIMDGTVAXDYGZ-UHFFFAOYSA-N 235.312 2.746 0 40 BFAB O=C(Nc1ccccc1C1CC1)C1CC1 20028158 RPTWXBMKSIHBMS-UHFFFAOYSA-N 201.269 2.913 0 40 BFAB Cc1c(C(=O)Nc2cccc(Cl)c2)cnn1C 24013497 XJUUNKCEOQURGL-UHFFFAOYSA-N 249.701 2.634 0 40 BFAB CCN[C@@H](c1ccc(F)cc1)c1cccnc1 35539836 JEZNSAGYSXVBAE-AWEZNQCLSA-N 230.286 2.920 0 40 BFAB in-vitro Nc1ccc(-c2noc(-c3ccco3)n2)cc1 35696793 UYLSGCABTJVRRW-UHFFFAOYSA-N 227.223 2.579 0 40 BFAB CSCC(=O)c1cccc(Cl)c1 38064061 LYUXWGIBCDLJLZ-UHFFFAOYSA-N 200.690 2.886 0 40 BFAB CC(C)[C@H](C)NC(=O)CCc1ccccc1F 40016049 UZIHCJUATATYNH-NSHDSACASA-N 237.318 2.919 0 40 BFAB CC[C@H](C)NC(=O)c1cc(C(C)C)nn1CC 40505573 NSVWMUYGINTZMM-JTQLQIEISA-N 237.347 2.555 0 40 BFAB COc1ccc(OCCn2cccc2)cc1 41229802 IXIRIRFULQUKCF-UHFFFAOYSA-N 217.268 2.576 0 40 BFAB CC(=O)c1ccccc1OCC[C@H]1CCCNC1 42771432 LCHHZXFWJMHUGH-CYBMUJFWSA-N 247.338 2.658 0 40 BFAB Cc1cc(C(=O)c2ccc(F)cc2)ccn1 45038461 OOTDTIYAJNKOFG-UHFFFAOYSA-N 215.227 2.760 0 40 BFAB C[C@H](N)c1cc(Cl)ccc1OC(F)F 50209076 ZFMBWLIOBWVWSF-YFKPBYRVSA-N 221.634 2.961 0 40 BFAB in-vitro O=C(O)CCCc1ccc(OC(F)F)cc1 70054546 PVJZBVRINJPBMY-UHFFFAOYSA-N 230.210 2.695 0 40 BFAB CC[C@H]1CN(Cc2ccccc2)[C@H](CC)CN1 71372310 OGTGPQVLSNVPIB-LSDHHAIUSA-N 232.371 2.649 0 40 BFAB in-vitro CC(=O)N(Cn1cccn1)c1c(C)cccc1C 72115176 JXUANMZOSNWAMI-UHFFFAOYSA-N 243.310 2.511 0 40 BFAB in-vitro CC(=O)N1CCC[C@H]1c1cnc(Cl)cc1C 72217833 NVCXVYIGQQGYIU-NSHDSACASA-N 238.718 2.727 0 40 BFAB O=C(c1cscn1)N1CC[C@H]2CCCC[C@@H]21 78487926 XQTZCVLWVVKBRS-KOLCDFICSA-N 236.340 2.548 0 40 BFAB Fc1ccc(Br)c(Cl)n1 79066839 XSEYHAGIKTYLEV-UHFFFAOYSA-N 210.433 2.637 0 40 BFAB CC(C)(N)Cc1c[nH]c2cc(F)ccc12 82378689 YFGACWRINMDJAE-UHFFFAOYSA-N 206.264 2.587 0 40 BFAB F/C(=C(\F)C(F)(F)F)[C@H]1CCCO1 83309316 JTJSDRZZJRJZSL-NTZDTNBWSA-N 202.122 2.878 0 40 BFAB CC(C)CCCNC(=O)N1CCCSCC1 84510342 JJBGUAIHGKIPPL-UHFFFAOYSA-N 244.404 2.571 0 40 BFAB COc1c(Br)ccc2cc[nH]c12 89209111 LGDJBCGWMLHLDZ-UHFFFAOYSA-N 226.073 2.939 0 40 BFAB COc1ccc(-c2ccc3ccccc3n2)nn1 91362191 QJVMURXGHCOGEX-UHFFFAOYSA-N 237.262 2.700 0 40 BFAB CN1CCC[C@H]1CCSCC(=O)C(C)(C)C 95442179 FOYOSJOYXIXZCX-NSHDSACASA-N 243.416 2.819 0 40 BFAB CC(C)SCCC(=O)N1CCCCC1 96500736 FXGSYVWAEIPNFO-UHFFFAOYSA-N 215.362 2.531 0 40 BFAB CCCCCn1cc(Br)c(C=O)n1 96528862 JPQJNWKIFJFHNB-UHFFFAOYSA-N 245.120 2.648 0 40 BFAB CCCSc1ccc(OC)c(C(=O)O)c1 96529742 BSWJGPTWHLCNTM-UHFFFAOYSA-N 226.297 2.896 0 40 BFAB Cc1cc(O)c(-c2ccn[nH]2)cc1Cl 100130978 ZACPHJJGWLADHD-UHFFFAOYSA-N 208.648 2.744 0 40 BFAB C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2 102250279 UUBCBMUPTSMOGL-HTOAHKCRSA-N 233.355 2.894 0 40 BFAB C[C@H]1CCCCN1C(=O)[C@H]1C[C@H]2C=C[C@H]1C2 102250408 IBMOGUWIKOQARO-CYDGBPFRSA-N 219.328 2.600 0 40 BFAB COc1ccc(Cl)c(C(=O)C2CC2)c1 107072813 VCXCMZUQJYLJJC-UHFFFAOYSA-N 210.660 2.941 0 40 BFAB CC(C)(C)OC(=O)OCC(F)(F)C(F)F 108641086 SZYZTDRCRWJICF-UHFFFAOYSA-N 232.173 2.839 0 40 BFAB CCC(CC)(CC)SCC(=O)N(C)C 191932017 OVOBOJBGLYDSQS-UHFFFAOYSA-N 217.378 2.777 0 40 BFAB Cc1ccc2cc([C@@H](C)NN)ccc2c1 199535846 YHFRLGNHOOIZFN-SNVBAGLBSA-N 200.285 2.673 0 40 BFAB CCOc1cc(Cl)cc(C(=O)O)c1OCC 225281358 POVPVLLPRJKZSZ-UHFFFAOYSA-N 244.674 2.836 0 40 BFAB COc1ccc([C@H](CN)CC2CC2)cc1OC 225741589 LSCPMCMGEMPOSW-LBPRGKRZSA-N 235.327 2.546 0 40 BFAB CCCn1c(CO)ccc1Cc1ccco1 226031222 DMDUPTYRAFOHNK-UHFFFAOYSA-N 219.284 2.574 0 40 BFAB CCC[C@H](N)CN1CC[C@H]2CCCC[C@H]2C1 252470052 UAQKEJZZPGARJA-RDBSUJKOSA-N 224.392 2.626 0 40 BFAB Cc1noc(C)c1-c1ccc([C@H]2CCCN2)nc1 257254767 KEOQYIFZMHARGU-GFCCVEGCSA-N 243.310 2.778 0 40 BFAB NC1CCC2(CCCN2Cc2ccccc2)CC1 953073763 IDSICSVOLAQABC-UHFFFAOYSA-N 244.382 2.923 0 40 BFAB Cc1cccc(CNCc2ccco2)c1 268562 ROEXOLUOFYVMGT-UHFFFAOYSA-N 201.269 2.878 0 40 BFAB in-vitro CN[C@@H](Cc1ccccc1)c1ccco1 1667104 OJYCNSIKWPZXHW-LBPRGKRZSA-N 201.269 2.783 0 40 BFAB O=C(c1ccccc1CN1CCC1)C1CCC1 2515643 AINMJRQJGWQVTK-UHFFFAOYSA-N 229.323 2.875 0 40 BFAB COc1cccc(OC)c1[C@H]1CCCCN1 3734613 IZWNTQGOMAUBLP-SNVBAGLBSA-N 221.300 2.518 0 40 BFAB CCCCc1ccccc1NC(=O)COC 4670520 VYQHIMQCRQPZOE-UHFFFAOYSA-N 221.300 2.614 0 40 BFAB CSc1cccc2sc(NC(C)=O)nc12 5299206 WGCYIOOTVWEPDK-UHFFFAOYSA-N 238.337 2.977 0 40 BFAB CC(=O)c1ccccc1NC(=O)C1CCC1 6342679 DOZDFEFQAACCES-UHFFFAOYSA-N 217.268 2.628 0 40 BFAB O=C(O)/C=C/C=C\c1ccc(Cl)cc1 6975102 XFRGOISOCUABHY-HSFFGMMNSA-N 208.644 2.994 0 40 BFAB Cc1ccc(NC(=O)c2cc(C)on2)c(C)c1 7610067 BLBXPJDMVXVXBR-UHFFFAOYSA-N 230.267 2.852 0 40 BFAB Cc1ccc(COc2nnc(S)o2)cc1C 8731376 JHMPWUQPQHBHHQ-UHFFFAOYSA-N 236.296 2.554 0 40 BFAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N(C)C 20456494 YEELKTSOHWTRIS-LBPRGKRZSA-N 235.327 2.549 0 40 BFAB COc1cccc(C(=O)NC(C2CC2)C2CC2)c1 22534270 GYUKCRAEHOZFTP-UHFFFAOYSA-N 245.322 2.614 0 40 BFAB CCNCc1ccccc1OCC(C)C 34658496 VBBOYPHXNCWCSH-UHFFFAOYSA-N 207.317 2.831 0 40 BFAB c1cc2c(cc1NC1CCSCC1)OCO2 35651971 AQBXQUMQDPPMFH-UHFFFAOYSA-N 237.324 2.723 0 40 BFAB COC(=O)c1cc(Oc2ccccc2)ccc1N 38342384 XZBNCQDGQQYUKB-UHFFFAOYSA-N 243.262 2.848 0 40 BFAB in-vitro Cc1noc(CN(Cc2ccccc2)C(C)C)n1 42543137 HFKKYTROPOZFPZ-UHFFFAOYSA-N 245.326 2.789 0 40 BFAB Cc1cccc(C(=O)c2cc(C)ccn2)c1 45028592 JFKXJOKCKAQBPK-UHFFFAOYSA-N 211.264 2.929 0 40 BFAB COc1cccc(C(=O)c2ccc(F)c(F)c2)n1 45028757 PZCHGCZGAUASTM-UHFFFAOYSA-N 249.216 2.599 0 40 BFAB Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2C)on1 45082181 YSMXNWHZMCBZDH-GXSJLCMTSA-N 236.315 2.634 0 40 BFAB COc1cc(OC)c(Br)cc1S 58041549 GQJFGNBPPVKCHN-UHFFFAOYSA-N 249.129 2.755 0 40 BFAB Cc1ccc(-c2cc(C(=O)NC(C)C)on2)cc1 65405218 MDBYLRWUQRWBLO-UHFFFAOYSA-N 244.294 2.788 0 40 BFAB Cc1cccc(-n2cnc(Cl)c2C(=O)O)c1 69949541 OIDWIRKPNWWKLC-UHFFFAOYSA-N 236.658 2.532 0 40 BFAB CON(C)C(=O)c1cc(SC)ccc1Cl 70153377 JPDIWMXYIFPNNN-UHFFFAOYSA-N 245.731 2.695 0 40 BFAB Nc1cccnc1-c1cc(F)cc(F)c1 71509932 KVHJCVZLVFDKGU-UHFFFAOYSA-N 206.195 2.609 0 40 BFAB CCN(CC)c1ncccc1C1=NCCCC1 72212907 HRJQBGRSPYNECD-UHFFFAOYSA-N 231.343 2.901 0 40 BFAB CC(C)c1nnc(SCc2ccncc2)n1C 75322173 DGFYKMNZBJETPM-UHFFFAOYSA-N 248.355 2.626 0 40 BFAB C[C@@H](NCc1ccccc1)O[C@@H]1CCCCO1 75629614 UBAVGIJCQUFVAA-GXTWGEPZSA-N 235.327 2.665 0 40 BFAB c1ccc2c([C@@H]3NCCS3)ccnc2c1 82665169 OWSLTRTWOOXUCG-GFCCVEGCSA-N 216.309 2.570 0 40 BFAB CC(C)(N)c1cc(F)ccc1Br 84514288 YNMWUXXFRXFKOE-UHFFFAOYSA-N 232.096 2.782 0 40 BFAB CC(C)N1CC[C@@H](SC2CCCC2)C1=O 89870030 CKADDYJYAYCJKA-LLVKDONJSA-N 227.373 2.672 0 40 BFAB NCc1ccc(C(F)(F)C(F)(F)F)c(F)c1 91252180 LEPQUSQBBROKGY-UHFFFAOYSA-N 243.150 2.939 0 40 BFAB C[C@H](N)c1ccc(C(F)(F)F)nc1Cl 95706228 VBOBDQRDNMGLBX-BYPYZUCNSA-N 224.613 2.774 0 40 BFAB in-vitro Cc1ccc([C@@H](O)CCC2OCCCO2)cc1 95728588 HCGSWVBKDIFVFD-ZDUSSCGKSA-N 236.311 2.572 0 40 BFAB C[C@@H](NC(=O)c1cccnc1)[C@H]1C[C@@H]2CC[C@@H]1C2 100842682 NTMANIMIVFSVIN-HKUMRIAESA-N 244.338 2.636 0 40 BFAB NN[C@@H]1C[C@H](c2ccccc2)c2ccccc21 198837155 BKHURDUPJQKETH-HUUCEWRRSA-N 224.307 2.727 0 40 BFAB CCC[C@H](C)NC(=O)c1ccccc1C 30354 XABXIPCVAVAJRI-NSHDSACASA-N 205.301 2.913 0 40 BFAB CC(C)[C@H](CCN1C(=O)CCC1=O)c1ccco1 489317 YVFGGOUYIUZARZ-NSHDSACASA-N 249.310 2.558 0 40 BFAB biogenic CCOc1ccc2[nH]c3c(OC)ncnc3c2c1 537350 CILWPNJQTDSJQR-UHFFFAOYSA-N 243.266 2.518 0 40 BFAB CCCn1cc(SCC(N)=O)c2ccccc21 2451544 UUXKYDSYQXZFLA-UHFFFAOYSA-N 248.351 2.629 0 40 BFAB CCn1cc(CNc2ccccc2)c(C)n1 2536245 INGGVACWPSFQSQ-UHFFFAOYSA-N 215.300 2.824 0 40 BFAB Cc1n[nH]c(C)c1-c1nc2ccccc2[nH]1 3114966 WIGOMHMSLORBAG-UHFFFAOYSA-N 212.256 2.570 0 40 BFAB Cc1ccc(CS(=O)(=O)c2ccccc2)cc1 3316045 VMHANKFHVYWTGK-UHFFFAOYSA-N 246.331 2.969 0 40 BFAB CCOc1cc2c(cc1/C=C/C(=O)O)O[C@@H](C)C2 4200350 IEVIGEWGDQZBOB-MOVJSRMASA-N 248.278 2.507 0 40 BFAB O[C@@H](c1cc(F)cc(F)c1)C(F)(F)F 8324314 TWRIUQYQEJEUKF-ZETCQYMHSA-N 212.117 2.561 0 40 BFAB Nc1ccc(C(=O)Nc2ccccc2F)cc1 11737166 YUPNPJSVXUEHPQ-UHFFFAOYSA-N 230.242 2.660 0 40 BFAB Nc1cnn(Cc2ccccc2C(F)(F)F)c1 11920293 RJHXTNKEJMSWJR-UHFFFAOYSA-N 241.216 2.532 0 40 BFAB Cc1ccc(/C=C/C(=O)NCCc2ccco2)o1 12801965 FYQPDNKRAMVLMS-VOTSOKGWSA-N 245.278 2.553 0 40 BFAB O=C(Nc1cccc2c1CCCC2)[C@@H]1CCCO1 12977120 NHILHOFDCUTEMB-AWEZNQCLSA-N 245.322 2.683 0 40 BFAB CCCCNC(=O)c1ccc(OCC)c(C)c1 13582195 XJAHKIIQRPSWDI-UHFFFAOYSA-N 235.327 2.924 0 40 BFAB CC(C)(C)OC(=O)CNc1ccc(F)cc1F 37394070 HDFTZMCDALIHOD-UHFFFAOYSA-N 243.253 2.718 0 40 BFAB CC(C)(C)NC(=O)N1CC[C@H](c2ccccc2)C1 38567317 HUNQOWRGKJQJLF-ZDUSSCGKSA-N 246.354 2.984 0 40 BFAB Cc1cc(NC(=O)CC(C)(C)C)sn1 38680482 QECZREUSTSTTKA-UHFFFAOYSA-N 212.318 2.826 0 40 BFAB CCOC(=O)Cc1c(C)n(C)c2ccccc12 39216748 UWRTXUCMYDYSJV-UHFFFAOYSA-N 231.295 2.592 0 40 BFAB CCOc1ccc(OCC)c(NC(=O)C2CC2)c1 43544792 PFUJDPSGVKZNIF-UHFFFAOYSA-N 249.310 2.833 0 40 BFAB CN1CC[C@H](c2nc3ccccc3s2)C1 49168932 CKWCOCJRMUMBCD-VIFPVBQESA-N 218.325 2.715 0 40 BFAB biogenic,in-vitro CCO[C@@H](CNC)c1cccc(Cl)c1 50482126 NRCJKGJWDKIPMP-NSHDSACASA-N 213.708 2.637 0 40 BFAB CC(=O)Oc1cc(C)c(Cl)c(C)c1C(=O)O 57339611 RSPGATDPUVKMOT-UHFFFAOYSA-N 242.658 2.580 0 40 BFAB COc1ccc(C(=O)CCSC)cc1 69984163 JMCSSHFKPLKKBF-UHFFFAOYSA-N 210.298 2.631 0 40 BFAB Cc1cc(C=O)cnc1Nc1ccccc1 72222264 UAZAWMXVFNJWRJ-UHFFFAOYSA-N 212.252 2.946 0 40 BFAB Cc1nc(OCc2ccccc2)ccc1[C@H](C)N 72224471 UXQOUMCNKNIUOY-NSHDSACASA-N 242.322 2.989 0 40 BFAB CCCN(CCC)c1ccc([C@H](C)O)cn1 72225278 IJKKLVPVBUAUHX-NSHDSACASA-N 222.332 2.761 0 40 BFAB COC(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 73194808 JOLVEJGFWHTTJU-VHSXEESVSA-N 244.212 2.982 0 40 BFAB CCOC(=O)c1ccc(-c2cccc(N)c2)o1 73640316 IGOSJPHJZGWZLO-UHFFFAOYSA-N 231.251 2.706 0 40 BFAB CC(=O)c1cc(N)ccc1N1CCC(C)CC1 84036688 QWFWKFAXZACKHI-UHFFFAOYSA-N 232.327 2.708 0 40 BFAB Cc1ccsc1[C@@H](O)c1ccccn1 84193687 MGSHIGXCWSTTSF-JTQLQIEISA-N 205.282 2.533 0 40 BFAB CCCCNCCC[C@H](CCC)OC 85396269 QGLDJQJXHHLMPE-LBPRGKRZSA-N 201.354 2.971 0 40 BFAB CC[C@H](N)COCc1ccc(C)cc1C 89262639 CZAJUSFQOKGGJM-ZDUSSCGKSA-N 207.317 2.557 0 40 BFAB O=C(O)c1c(OCC2CC2)cnc2ccccc12 93664167 KFGPUQORUGCKRI-UHFFFAOYSA-N 243.262 2.722 0 40 BFAB C[C@@]1(C(=O)Nc2ccccc2O)CCCS1 95442657 HGRXRRRDOHEJIR-LBPRGKRZSA-N 237.324 2.616 0 40 BFAB CC(C)CCc1nnc(NCc2cccn2C)o1 95992345 DXFPQCFPJGNACU-UHFFFAOYSA-N 248.330 2.609 0 40 BFAB C[C@H](O[C@H]1CCNC1)c1ccc(Cl)cc1 96529825 HNSAYWWKVSGZOD-CABZTGNLSA-N 225.719 2.780 0 40 BFAB O=C1OC2(c3ccccc3)[C@H]3CCC[C@H]2C13Cl 100068949 MARLZNIGHGTHNQ-BCVKRFQSSA-N 248.709 2.846 0 40 BFAB CCn1c(=N)sc2cc(Cl)ccc21 100969192 XNVKDGHWMFTJJB-UHFFFAOYSA-N 212.705 2.856 0 40 BFAB C[C@@H]1CNc2nn(C3CCCCC3)c(O)c2C1 110751821 IVWDTENUYAQZOI-VIFPVBQESA-N 235.331 2.698 0 40 BFAB Cc1cccc2cc(C(=O)N3CCCC3)oc12 139444420 NRKPVHVRXGMHKC-UHFFFAOYSA-N 229.279 2.977 0 40 BFAB COc1cccc(N2Cc3ccccc3C2=O)c1 256050471 FCYRFPMSWLKNFL-UHFFFAOYSA-N 239.274 2.856 0 40 BFAB CCn1nc(C(=O)C2CCCCCC2)cc1N 408717075 VMXDLNNFQJBAES-UHFFFAOYSA-N 235.331 2.638 0 40 BFAB Cc1c(C2CC2)[nH]c2ccc(F)cc2c1=O 685938590 PPJYNPSKJPEQIH-UHFFFAOYSA-N 217.243 2.853 0 40 BFAB O=C(CCc1ccc(F)c(Cl)c1)NC1CC1 1776009384 YEMBKMXKHCNTNB-UHFFFAOYSA-N 241.693 2.690 0 40 BFAB COc1ccccc1[C@H]1OCC[C@@H](C)O1 1677479 JIONPJZAVXCSGI-SKDRFNHKSA-N 208.257 2.519 0 40 BFAB COc1ccc2ccccc2c1C[C@H](C)O 1686736 YXOMHDRPPKPIHG-JTQLQIEISA-N 216.280 2.772 0 40 BFAB Cc1ccc(C(C)C)c(OCC2=NCCN2C)c1 1688454 CFLGKLHGKWWXEY-UHFFFAOYSA-N 246.354 2.841 0 40 BFAB C[C@H](CNC1CCCC1)OC(=O)c1ccccc1 1997716 OWHMMRUWFOYJCA-GFCCVEGCSA-N 247.338 2.764 0 40 BFAB CC(C)Oc1ccc(C(=O)CCC(=O)O)cc1 2579981 BUNKQFMIQRZJSY-UHFFFAOYSA-N 236.267 2.521 0 40 BFAB CCC(CC)C(=O)OCCC[C@@H]1CCCO1 4684007 PZTLYOMFJTUMSV-LBPRGKRZSA-N 228.332 2.925 0 40 BFAB CCN(CC)C[C@H](O)c1cccc2cccnc12 5573088 LSHFGLXVRGFKQN-AWEZNQCLSA-N 244.338 2.610 0 40 BFAB CSc1nnc(C)n1C1CCCCC1 9053407 YVNMUYQCJSXXTD-UHFFFAOYSA-N 211.334 2.814 0 40 BFAB Cc1cc(C)n(-c2ccc(C(F)(F)F)cn2)n1 15202893 SMGZKJMCBWXEAI-UHFFFAOYSA-N 241.216 2.903 0 40 BFAB CN[C@H](C)c1ccc(OC(F)F)cc1 20083820 SARPKGSVANMWRA-SSDOTTSWSA-N 201.216 2.568 0 40 BFAB CCNC(=O)[C@H](C)Oc1cc(C)cc(C)c1C 20105067 IRMSGYBMKYTFTQ-LBPRGKRZSA-N 235.327 2.515 0 40 BFAB CCCN(CCC)Cc1ccc(C(=O)OC)o1 24547941 HDPBVKHDZNIKBC-UHFFFAOYSA-N 239.315 2.688 0 40 BFAB CCOC(=O)C1(Cc2ccc(O)cc2)CCC1 34625659 JYFKHJCIBDJXND-UHFFFAOYSA-N 234.295 2.668 0 40 BFAB in-vitro CC(C)(C)c1c[nH]c([C@@H]2CCCCN2)n1 36876663 ZAZFBZUBIYGKPW-VIFPVBQESA-N 207.321 2.522 0 40 BFAB C=CC(=O)Nc1ccc(C)cc1Br 36882785 KUFUZRUUFFEQDG-UHFFFAOYSA-N 240.100 2.882 0 40 BFAB CC[C@@H](C)C(=O)c1cc(OC)ccc1OC 36940122 KWTIXIVJOSQZBU-SECBINFHSA-N 222.284 2.933 0 40 BFAB Cc1ccc(CC2(O)CCN(C(C)C)CC2)cc1 37717043 UEVZXGZCCXPWGU-UHFFFAOYSA-N 247.382 2.773 0 40 BFAB C=CC(=O)N1CCC[C@@H]1c1ccsc1 37831696 VLWDVCRXKFMMKW-SNVBAGLBSA-N 207.298 2.598 0 40 BFAB O=C1NCCCC[C@H]1Sc1ccccc1F 40050607 NGERTLNCMJOFRJ-LLVKDONJSA-N 239.315 2.587 0 40 BFAB CC(C)(C)c1ccc(-c2noc(N)n2)cc1 41229904 LQQDZXDKQZDWSQ-UHFFFAOYSA-N 217.272 2.616 0 40 BFAB COc1cccc(C(=O)c2c(F)cccc2F)n1 45028756 MLBSWTGSAJKXEJ-UHFFFAOYSA-N 249.216 2.599 0 40 BFAB CC(C)(C)OC(=O)CCNCCc1ccccc1 47218957 XAVZQXMBTIHNPR-UHFFFAOYSA-N 249.354 2.551 0 40 BFAB Fc1ccc(NCc2nccs2)cc1 49814188 KMFOZHCJWQFMBS-UHFFFAOYSA-N 208.261 2.894 0 40 BFAB CSc1ccc(CN(CCO)C(C)C)cc1 49826206 NXGVFWQABHTKLF-UHFFFAOYSA-N 239.384 2.611 0 40 BFAB CNC[C@@H](OC(C)C)c1ccc(F)cc1F 62711692 UFGPIMGXKXJRMK-GFCCVEGCSA-N 229.270 2.650 0 40 BFAB Cc1noc(N)c1SCC(=O)c1ccccc1 66351992 XWBYCROQFZEVGL-UHFFFAOYSA-N 248.307 2.540 0 40 BFAB O[C@@H]1CCc2c1cccc2C(F)(F)F 71790060 WYRONQVMJMJUKG-SECBINFHSA-N 202.175 2.685 0 40 BFAB Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1N 77387122 BJAAPIKWCCHLFD-UHFFFAOYSA-N 241.216 2.782 0 40 BFAB COc1cccc(CNc2cc(C)on2)c1 83349312 KADWWIRRRSBVHO-UHFFFAOYSA-N 218.256 2.604 0 40 BFAB CCc1nc2c(s1)[C@H](N(C)C(C)=O)CCC2 89295712 ZNFVLNXFRNYDHT-SNVBAGLBSA-N 238.356 2.561 0 40 BFAB Cc1cc(CN(C)c2nccc3occc23)no1 91429179 NWNZGEPIXMZVOD-UHFFFAOYSA-N 243.266 2.761 0 40 BFAB O=C(O)c1cc2c(Cl)ccnc2s1 107215513 VGXKUAIWPFROEJ-UHFFFAOYSA-N 213.645 2.648 0 40 BFAB CCOC(=O)c1cccc(-n2cccc2)c1C 226244584 RAFKIMKXRBMCGE-UHFFFAOYSA-N 229.279 2.962 0 40 BFAB CCNc1ccc(N2CCOCC2)c(Cl)c1 226284743 ITIDEAQEMYMYJI-UHFFFAOYSA-N 240.734 2.608 0 40 BFAB O=C(c1ccoc1)N1CCC(=C2CC2)CC1 238811032 AHUKKYLYKUEFMO-UHFFFAOYSA-N 217.268 2.606 0 40 BFAB CC(C)CC[C@@H]1CNCC2(CCCC2)O1 242495720 GNVYLRAJQJKVQI-GFCCVEGCSA-N 211.349 2.724 0 40 BFAB Cc1ccc(C(=O)N[C@]2(C)CCCOC2)c(C)c1 390833685 LLENZNKSPOLLCA-OAHLLOKOSA-N 247.338 2.602 0 40 BFAB O=C(NC1CC1)c1scc2c1CCCC2 140320 HKGNBPWVXCBUKU-UHFFFAOYSA-N 221.325 2.519 0 40 BFAB O=C(O)/C(=C\c1ccco1)c1ccccc1 453508 NXFJMNHCFFZDTM-XFXZXTDPSA-N 214.220 2.905 0 40 BFAB CC(C)CCc1ccc([C@H](N)CC(=O)O)cc1 533770 FDBAPXYVXNECEZ-CYBMUJFWSA-N 235.327 2.750 0 40 BFAB biogenic CC(=O)Nc1cc2c(cc1N)-c1ccccc1C2 1668819 SRZYIFAZRDYKKK-UHFFFAOYSA-N 238.290 2.798 0 40 BFAB Cc1ccc(C2(C)O[C@H](C)[C@@H](C)O2)cc1 1689229 CBMIXTRJKCQFBD-GHMZBOCLSA-N 206.285 2.992 0 40 BFAB c1ccc(-c2nnc3c4ccccc4ncn23)cc1 1797254 RMYTYIIUGULWKY-UHFFFAOYSA-N 246.273 2.945 0 40 BFAB CC[C@@H](Cc1ccc(OC)cc1)C(C)=O 2044981 PUXHHMSZRLEVFQ-LBPRGKRZSA-N 206.285 2.853 0 40 BFAB O=C(Nc1ccc2ccccc2c1)[C@@H]1CCCO1 6342707 ZPBFVHQLSQEBGQ-AWEZNQCLSA-N 241.290 2.957 0 40 BFAB CCC[C@@H](C)C(=O)Nc1ccc(C)c(N)c1 8703525 QFMCJTNYEHGEMU-SNVBAGLBSA-N 220.316 2.952 0 40 BFAB O=C(Cc1nc2ccccc2[nH]1)c1ccco1 9219664 WZSNSPLXKWMOOW-UHFFFAOYSA-N 226.235 2.581 0 40 BFAB in-vitro C[C@@H]1CCCN(C(=O)c2ccc(N(C)C)cc2)C1 12527640 JMLCJWYXSGMCCL-GFCCVEGCSA-N 246.354 2.625 0 40 BFAB CCC(=O)Nc1cccc(NC(=O)[C@H]2C[C@H]2C)c1 12986018 GKJVJRTYFDTSCO-SKDRFNHKSA-N 246.310 2.630 0 40 BFAB Cc1cccc(NC(=O)Cc2cccc(N)c2)c1 20186039 LYUODASDEWLQLW-UHFFFAOYSA-N 240.306 2.758 0 40 BFAB O=Cc1cc(-c2ccc(Cl)cc2)n[nH]1 20270487 WBNCITQIWJKKJX-UHFFFAOYSA-N 206.632 2.543 0 40 BFAB Clc1nnc(N2CCCC2)c2ccccc12 21658519 JEMIDLIMWOSGSA-UHFFFAOYSA-N 233.702 2.883 0 40 BFAB CC(C)[C@@H](C)NC(=O)[C@@H]1Cc2ccccc2S1 22242077 BAGQRSWIZIKLDN-MFKMUULPSA-N 249.379 2.864 0 40 BFAB C[C@H]1C[C@@H]1C(=O)NCc1ccc(Cl)s1 25521836 RTIWXPPOCRZDDI-XPUUQOCRSA-N 229.732 2.674 0 40 BFAB C[C@H](NC(=O)[C@H]1C[C@H]1C)c1ccccc1F 32983395 XNYJBCQPDXPRNK-YWVKMMECSA-N 221.275 2.659 0 40 BFAB Cc1csc(COc2cccc(C=O)c2)n1 33421441 HAPJCVWUKOPQJE-UHFFFAOYSA-N 233.292 2.843 0 40 BFAB NC(=O)c1cc(Cl)c(Cl)cc1Cl 34364483 MTYZXAXLEROYRE-UHFFFAOYSA-N 224.474 2.746 0 40 BFAB CC1(C)COC(c2c(F)cccc2F)=N1 34590616 PJTVMGSOYRAPIP-UHFFFAOYSA-N 211.211 2.520 0 40 BFAB CN(CC[C@@H]1CCCCN1)C1CCCCC1 34972503 PTKLZJHYEPWSHC-ZDUSSCGKSA-N 224.392 2.783 0 40 BFAB O=C(Nc1cn[nH]c1)c1cccc2ccccc12 35237627 HAHHMHIAFJRERL-UHFFFAOYSA-N 237.262 2.815 0 40 BFAB Clc1ccccc1CO[C@@H]1CCCNC1 36314406 HEUPZTSFCQZAAP-LLVKDONJSA-N 225.719 2.609 0 40 BFAB CC(C)c1cc(N)n(Cc2ccccc2)n1 37291302 NKFGUVGGLFKUIE-UHFFFAOYSA-N 215.300 2.637 0 40 BFAB CCOC(=O)c1cc(-c2ccccc2)ns1 38351376 ZMIUKPNMRBLQMI-UHFFFAOYSA-N 233.292 2.987 0 40 BFAB Nc1nc(-c2ccccc2)cc(-c2ccco2)n1 39281247 VEKUDJNZDQADCY-UHFFFAOYSA-N 237.262 2.986 0 40 BFAB CC(C)CSCCC(=O)Nc1ccccn1 40523776 GKSHACSYUVEPDQ-UHFFFAOYSA-N 238.356 2.799 0 40 BFAB Cc1nc(Cl)cc(-c2cccnc2)n1 44119147 JWXDWMPUBMFQNP-UHFFFAOYSA-N 205.648 2.500 0 40 BFAB COc1cc(C(F)(F)F)nc(OC)c1Cl 47218603 FIVHVKVENKSHAT-UHFFFAOYSA-N 241.596 2.771 0 40 BFAB CNC(=O)Nc1ccc(Br)cc1C 48474809 UPBHIRLSUSWFKZ-UHFFFAOYSA-N 243.104 2.509 0 40 BFAB OC[C@@H]1C[C@@H]1c1cccc(Br)c1 62720180 HNPYNZPAPFEJFT-WCBMZHEXSA-N 227.101 2.545 0 40 BFAB CNCC1CCN(Cc2ccc(C)cc2C)CC1 63158907 PNOKZLPJPAHUHS-UHFFFAOYSA-N 246.398 2.735 0 40 BFAB CSc1ncccc1[C@H]1CCCCN1 72216954 OGQGLJPJGMZJOV-SNVBAGLBSA-N 208.330 2.618 0 40 BFAB CC(C)(N)c1ccc(F)cc1Br 84514274 HZSYKKRMPCXOLQ-UHFFFAOYSA-N 232.096 2.782 0 40 BFAB O=Cc1ccc(OCCF)c(Br)c1 85502261 DGSUZJFHQIZJFK-UHFFFAOYSA-N 247.063 2.610 0 40 BFAB Cc1ccc(N)c(NCc2cccnc2)c1 87149521 ZEZLPBUUJSGNND-UHFFFAOYSA-N 213.284 2.584 0 40 BFAB O=C(c1cccc(F)c1)[C@H]1CC=CC[C@H]1C(=O)O 95634407 VIZZQXYHMMOZDO-NWDGAFQWSA-N 248.253 2.675 0 40 BFAB C[C@@H]1OCCN(C(=O)C2CCCCCC2)[C@H]1C 95967980 LDQFGXJJMPERDS-RYUDHWBXSA-N 239.359 2.593 0 40 BFAB O=C(O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)c1ccccc1 100310983 GGRGOXDLLVXREZ-RVMXOQNASA-N 244.290 2.616 0 40 BFAB Cc1cccc(NC(=O)N(C)CC(F)F)c1 103502083 AUISMERWZODYKL-UHFFFAOYSA-N 228.242 2.724 0 40 BFAB Nc1cc(Cl)c(C(=O)O)c(C(F)(F)F)c1 137696647 WFQGWCMIMPSSON-UHFFFAOYSA-N 239.580 2.639 0 40 BFAB COC(=O)c1cccc2c(C(F)(F)F)noc12 228941279 WQFZNOSIBSHOST-UHFFFAOYSA-N 245.156 2.633 0 40 BFAB COC(=O)[C@H]1[C@@H](C(F)=C(C)C)C1(C)C 261828091 AFACSBUBJCFCHH-JGVFFNPUSA-N 200.253 2.695 0 40 BFAB COc1ccc2c(c1)O[C@@H](C)c1sc(=N)[nH]c1-2 408722297 GSHKQWHILCXGHD-LURJTMIESA-N 248.307 2.685 0 40 BFAB O=[S@@](c1ccc(Br)cc1)C1CC1 584593022 DIUQZOZZNKNFHE-LBPRGKRZSA-N 245.141 2.719 0 40 BFAB CSc1ccccc1C(=O)N1CCCC1 582002 PIIHQJZWXCBATC-UHFFFAOYSA-N 221.325 2.645 0 40 BFAB O=C(Nc1ccccc1)C(=O)c1ccccc1 1751835 RFHPCPUJOXAXKQ-UHFFFAOYSA-N 225.247 2.508 0 40 BFAB COc1cccc(C(=O)Nc2cccc(O)c2)c1 3020596 BCINXQXHAYBKOV-UHFFFAOYSA-N 243.262 2.653 0 40 BFAB CNC(=O)c1sc(SC)c2c1CCC=C2 4284551 GJWVQSCZTVQOFG-UHFFFAOYSA-N 239.365 2.789 0 40 BFAB Cn1ccnc1SCc1ccc(F)cc1 5635113 PHWSBOQNDBFNJO-UHFFFAOYSA-N 222.288 2.852 0 40 BFAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NC(C)C 8041812 BVRDUBGAASDYDT-CYBMUJFWSA-N 235.327 2.677 0 40 BFAB O=C(Nc1ccccc1)c1n[nH]c2ccccc12 8205769 XQJXNILPLUCHQG-UHFFFAOYSA-N 237.262 2.815 0 40 BFAB c1ccc2oc(CN3CCCCC3)nc2c1 8324411 BTJDCHIEICPTRH-UHFFFAOYSA-N 216.284 2.814 0 40 BFAB Cc1ccc(C)c(C(=O)NCCc2ccco2)c1 12977768 FXQWJBUKUWGFSH-UHFFFAOYSA-N 243.306 2.869 0 40 BFAB CN(Cc1ccccc1)C(=O)C1CCCC1 12979452 SJDFKTSVUAHCAG-UHFFFAOYSA-N 217.312 2.835 0 40 BFAB C[C@H]1c2cccn2CCN1C(=O)CC(C)(C)C 12985049 GISZFBKBOANLRB-NSHDSACASA-N 234.343 2.828 0 40 BFAB CCCCCC(=O)Nc1ccc(C(=O)NC)cc1 16016089 DCVOUBULACDHHS-UHFFFAOYSA-N 248.326 2.565 0 40 BFAB NN[C@H](c1ccc(O)cc1)c1ccc(Cl)cc1 19262666 BCAWBWNZOZAEIR-ZDUSSCGKSA-N 248.713 2.598 0 40 BFAB O=C(O)C1C[C@@H]2CCC[C@H](C1)C2(F)F 19421990 WOBMQZMVMMWONV-IEESLHIDSA-N 204.216 2.533 0 40 BFAB Cc1cnn([C@@H]2CCCc3ccccc32)c1N 20578569 PNJFMCIXVQWPBS-CYBMUJFWSA-N 227.311 2.699 0 40 BFAB in-vitro C[C@@H]1C[C@@H](C)CN(Cc2ccc(CN)cc2)C1 21952065 YMVFPSOLZLYHIV-CHWSQXEVSA-N 232.371 2.623 0 40 BFAB O=C(O)c1ccc(Oc2ccc(F)cc2)nc1 22218140 JJUJTNYRICRFHE-UHFFFAOYSA-N 233.198 2.711 0 40 BFAB Clc1nccc(N2CCCCCC2)n1 34493133 YJYMMSKOKOREMP-UHFFFAOYSA-N 211.696 2.510 0 40 BFAB Fc1ccc(Br)c2c1NCC2 36336209 ZDLYFOXOODEGCB-UHFFFAOYSA-N 216.053 2.556 0 40 BFAB CCOc1cccc(C=O)c1OC(C)C 36669022 QLRQJACOHNEMAX-UHFFFAOYSA-N 208.257 2.685 0 40 BFAB COC(=N)c1cccc(C(F)(F)F)c1 37927975 YBSXNOVOFOTTAC-UHFFFAOYSA-N 203.163 2.677 0 40 BFAB CC(C)CNC(=O)c1cc2sccc2n1C 40786185 LFAYMLXGAFGMNG-UHFFFAOYSA-N 236.340 2.626 0 40 BFAB N[C@H]1CCc2c(F)cc(Br)cc21 42405099 GQUXKZDCZSWEDG-VIFPVBQESA-N 230.080 2.534 0 40 BFAB COc1ccccc1SC[C@@H]1CCCNC1 43471813 MYSNTFYDRLDXDP-LLVKDONJSA-N 237.368 2.787 0 40 BFAB C[C@@H](c1nc(C(C)(C)C)no1)N1CCCC1 44069585 PIVXYVKWEWXHKL-VIFPVBQESA-N 223.320 2.524 0 40 BFAB CCCCNC(=O)c1cccc(OC(F)F)c1 47464454 IRPQWGZHJLOHND-UHFFFAOYSA-N 243.253 2.818 0 40 BFAB CC(C)(C)c1nnc(-c2ccccc2N)o1 50309238 HOTRPTUHROZMIZ-UHFFFAOYSA-N 217.272 2.616 0 40 BFAB CC(C)C(=O)c1cc(F)cc(F)c1O 52068539 XZIBIHUKCYPJFJ-UHFFFAOYSA-N 200.184 2.509 0 40 BFAB C[C@@H](NC(=O)CC(C)(C)C)c1cccnc1 54458911 CKGQJAWBNHSLOR-SNVBAGLBSA-N 220.316 2.695 0 40 BFAB COc1cc(CNC2CCCC2)ccc1F 72119997 CMQBCJAVAGFQOZ-UHFFFAOYSA-N 223.291 2.867 0 40 BFAB CCN1CCCC[C@H]1c1cc(C)ccn1 72211202 WWLASKOHCPXRIO-ZDUSSCGKSA-N 204.317 2.937 0 40 BFAB CC(C)N(CCN)[C@H](C)c1ccc(F)cc1 79421278 ZTYMKJBOIWOJED-LLVKDONJSA-N 224.323 2.556 0 40 BFAB FC1(F)Oc2ccccc2C(F)(F)O1 79872835 GELYCVKPQMCBNN-UHFFFAOYSA-N 208.110 2.695 0 40 BFAB C[C@@H](N)COCc1ccc(Cl)c(Cl)c1 82547313 DBLYAJBXZVMLND-SSDOTTSWSA-N 234.126 2.857 0 40 BFAB C[C@@H](Nc1ccc(F)cc1)C(=O)OC(C)(C)C 84222799 WAKBBAZGBXXVKE-SECBINFHSA-N 239.290 2.968 0 40 BFAB C[C@H](C(=O)N1CCCCC1)c1ccsc1 89913458 CUDGFIUWLJBWFA-JTQLQIEISA-N 223.341 2.864 0 40 BFAB Clc1cnc(N[C@H]2CC=CCC2)nc1 93538251 MLSYPSFDEYUWLK-VIFPVBQESA-N 209.680 2.651 0 40 BFAB CC(C)=C[C@H]1[C@@H](C(=O)NCc2ccno2)C1(C)C 95992922 WFKGXPUXZKGCBX-RYUDHWBXSA-N 248.326 2.529 0 40 BFAB O=C(N[C@@H]1CC[C@@H](F)C1)OCc1ccccc1 98089965 NDVBOSIQTJVVNB-VXGBXAGGSA-N 237.274 2.803 0 40 BFAB CC(=O)C(C(C)=O)c1ccccc1Cl 104049893 VBRPXRDIUQSPJS-UHFFFAOYSA-N 210.660 2.602 0 40 BFAB Cc1c(Cl)ccc2[nH]c(C(=O)O)cc12 108274078 FHGPOPGCRIYJLE-UHFFFAOYSA-N 209.632 2.828 0 40 BFAB Cc1ocnc1C(=O)O[C@@H]1CC[C@H](C)[C@@H](C)C1 195566673 BAIDLEJPJNDPQY-ATZCPNFKSA-N 237.299 2.965 0 40 BFAB Cc1ccnc2snc(Br)c12 217730333 PIHCYCLLKXILND-UHFFFAOYSA-N 229.102 2.762 0 40 BFAB CCCC[C@@H]1C[C@H](OCCC(C)C)CN1 217859875 UJINNRHMHFIPSU-OLZOCXBDSA-N 213.365 2.970 0 40 BFAB CC(C)n1nnnc1-c1ccc(Cl)cc1 1405202 JJLVMQJAGZJIHE-UHFFFAOYSA-N 222.679 2.574 0 40 BFAB O=C1Nc2ccccc2[C@H]2CCCC[C@@H]12 1579168 IZYIINICADMQJQ-MWLCHTKSSA-N 201.269 2.913 0 40 BFAB O=C(O)/C(Br)=C\c1ccccc1 1689855 HBMGEXMZDMAEDN-SOFGYWHQSA-N 227.057 2.507 0 40 BFAB CC(=O)OCCOc1ccc(C(C)(C)C)cc1 1874364 WYQODQADGFDSGS-UHFFFAOYSA-N 236.311 2.926 0 40 BFAB O=C1Nc2ccccc2/C1=C/c1ccc[nH]1 3874586 SEZFNTZQMWJIAI-FLIBITNWSA-N 210.236 2.507 0 40 BFAB in-vivo CCCNCc1cccn1-c1ccccc1OC 10003647 SBQSPLFKDLYYDW-UHFFFAOYSA-N 244.338 2.986 0 40 BFAB CCCCN(CCCC)CCCC(=O)O 11799246 APLNOXBBAYPPBU-UHFFFAOYSA-N 215.337 2.753 0 40 BFAB Cc1csc(NC(=O)/C=C\c2ccco2)n1 12667637 BWPSLDADAAYXLA-PLNGDYQASA-N 234.280 2.696 0 40 BFAB COc1ccc(C(=O)NC(C)(C)C)cc1Cl 18051962 UOMQQXPLZXZTQD-UHFFFAOYSA-N 241.718 2.877 0 40 BFAB O=C(O)CN(Cc1ccccc1)c1ccccc1 20198575 KUPDILJKKXVBLS-UHFFFAOYSA-N 241.290 2.778 0 40 BFAB CCOc1ccc([C@H]2C[C@H]2[C@@H](C)N)cc1 20392470 VPECJODXZJEBMN-JIMOISOXSA-N 205.301 2.536 0 40 BFAB CCONC(=O)c1cc(SC)ccc1Cl 32848249 GSBBZZSYPSQOCS-UHFFFAOYSA-N 245.731 2.743 0 40 BFAB Cc1ccc(C(=O)N[C@H](C)c2ccccc2)cn1 32895409 LGNLSGRHVQITAO-GFCCVEGCSA-N 240.306 2.881 0 40 BFAB COc1cccc([C@H](C)Nc2cnn(C)c2)c1 35737751 MAZGIAIJMSZOKN-JTQLQIEISA-N 231.299 2.602 0 40 BFAB in-vitro CC(C)(C)OC(=O)Nc1cc(N)c(F)cc1F 36738806 OWPOOOGXODOWIM-UHFFFAOYSA-N 244.241 2.894 0 40 BFAB CC(C)N(Cc1ccccc1)C[C@@H]1CCCN1 39141056 OKQWXJUBSFCXBO-HNNXBMFYSA-N 232.371 2.649 0 40 BFAB CN(Cc1ccco1)C(=O)c1ccsc1 39976134 VZSZVOOBCXIAGO-UHFFFAOYSA-N 221.281 2.613 0 40 BFAB COc1ccc(C)cc1[C@@H](O)c1ccc(C)o1 40264170 ROGPDWGJXKFXKP-CQSZACIVSA-N 232.279 2.987 0 40 BFAB C[C@@H](NC(=O)C[C@H]1C=CCC1)c1cccnc1 48325884 VMZKWCPJZLLYPZ-NEPJUHHUSA-N 230.311 2.615 0 40 BFAB CCO[C@@H](CC)C(=O)Nc1cccc(C(C)=O)c1 48331983 RNLBCJBVNLNCQK-ZDUSSCGKSA-N 249.310 2.643 0 40 BFAB CCN(CC)C(=O)Nc1ccc(OC)c(F)c1 48447604 RJNFMDJEMMYUIS-UHFFFAOYSA-N 240.278 2.708 0 40 BFAB CC[C@H](C)NC(=O)Nc1ccc(OC)c(F)c1 48450847 FWQJBPQQXZXGEX-QMMMGPOBSA-N 240.278 2.754 0 40 BFAB C[C@@H]1CCCCN1C(=O)NCc1cccs1 48644214 BFUWQXNMZDFXCU-SNVBAGLBSA-N 238.356 2.832 0 40 BFAB O=C(Nc1ccc(=S)[nH]n1)c1cccc(F)c1 61966012 AJFOHXNVSACPPH-UHFFFAOYSA-N 249.270 2.531 0 40 BFAB CCNC(=O)[C@@H](OC1CCCC1)c1ccccc1 69371851 ZZSBSWVJZZPPQC-AWEZNQCLSA-N 247.338 2.823 0 40 BFAB CNCc1cnc(N(C)c2ccccc2)c(C)c1 72222315 HODXHURHEPPGJD-UHFFFAOYSA-N 241.338 2.877 0 40 BFAB C[C@@H](O)c1ccc(N2CCCCCC2)nc1 72225469 LXXHUAYHBODHLJ-LLVKDONJSA-N 220.316 2.515 0 40 BFAB C/C=C/CS[C@H](C)C(=O)NC1CCCC1 75607197 SVASQDZITJCGJW-HMDXOVGESA-N 227.373 2.743 0 40 BFAB C[C@H]1CCCC[C@@H]1OCC(=O)N1CCCCC1 89927777 OLZBBEOFDPPCHI-STQMWFEESA-N 239.359 2.594 0 40 BFAB Cc1nc(N)sc1-c1ccnc([C@H]2C[C@H]2C)n1 95629766 ZHTPRFXALUPNCR-SVRRBLITSA-N 246.339 2.614 0 40 BFAB CC(C)=CCSc1ccccc1C(N)=O 96420607 RGGVXKDMIXCCPZ-UHFFFAOYSA-N 221.325 2.844 0 40 BFAB Cc1cccc(N2CCC3(CCC3)C2)n1 97096487 RRGYKHNVKFUCSY-UHFFFAOYSA-N 202.301 2.770 0 40 BFAB C[C@H]1C[C@@H]1C(=O)N[C@H](C)Cc1ccccc1F 106829476 ILELVXDFDGCZKN-UMNHJUIQSA-N 235.302 2.529 0 40 BFAB Nc1cc(C(F)(F)F)ccc1OC(F)F 130336217 AQMFDPSSMOOFDL-UHFFFAOYSA-N 227.132 2.889 0 40 BFAB CCc1noc(CSc2ccoc2C)n1 131417650 GAAVCCYFSOLCDW-UHFFFAOYSA-N 224.285 2.826 0 40 BFAB O=C(CC1CC1)N[C@H]1CCCc2c(O)cccc21 195580108 RNWARTVJINHLGX-ZDUSSCGKSA-N 245.322 2.686 0 40 BFAB COC(=O)[C@@H]1CCC2(C1)SCCCS2 217905431 NJMWRKWIKBDXKX-MRVPVSSYSA-N 232.370 2.526 0 40 BFAB C[C@H](O)[C@@H]1C[C@H]1c1ccccc1Br 242554654 MRTRCQFYDZXKHK-HGNGGELXSA-N 241.128 2.933 0 40 BFAB CC(C)c1ccc([C@H]2CN(C)C[C@H]2C(=O)O)cc1 252514983 FQHJTCOFTPBBDN-ZIAGYGMSSA-N 247.338 2.540 0 40 BFAB CCOc1ccc2c(c1)SCc1nnc(C)n1-2 256055803 UUHKISCSLMJFAB-UHFFFAOYSA-N 247.323 2.580 0 40 BFAB COC(=O)C1(c2ccc(C)c(C)c2)CC1 257826238 FSOCNDXCPCCOHX-UHFFFAOYSA-N 204.269 2.508 0 40 BFAB FC(F)COCc1nn(C(F)F)cc1Cl 408716105 IWLCPOBZRWNJFH-UHFFFAOYSA-N 246.591 2.713 0 40 BFAB CC(=O)OC(C)(C)C(=O)c1ccc(C)c(F)c1 575357729 ZESHYTOOBPSSNX-UHFFFAOYSA-N 238.258 2.659 0 40 BFAB COC(=O)c1ccc(-c2cccs2)nc1C 66392 PXOOFKKNKVAIPU-UHFFFAOYSA-N 233.292 2.905 0 40 BFAB CCN(CC)C(=O)/C=C/c1ccc(OC)cc1 573327 ALPSZSGLINZWDO-DHZHZOJOSA-N 233.311 2.577 0 40 BFAB CCCCCCOC(=O)[C@H](C)OC(=O)OCC 1698705 XIDLATCSZWUBHP-JTQLQIEISA-N 246.303 2.672 0 40 BFAB CCC(=O)O[C@@H]1C[C@@H]2C[C@H]1[C@H]1CC=C[C@H]21 4083568 BLBJUGKATXCWET-KZZRWZIVSA-N 206.285 2.540 0 40 BFAB biogenic CC(=O)Nc1cccc2c(OC(C)=O)cccc12 5064408 RSZZTTIBNGXAEI-UHFFFAOYSA-N 243.262 2.724 0 40 BFAB O=Cc1ccccc1C(=O)c1ccccc1 6095885 HIHTVTATSKDEQF-UHFFFAOYSA-N 210.232 2.730 0 40 BFAB C[C@H]1CCCN(C(=O)c2cccnc2Cl)C1 6253440 HGAPFNVAUJPHIR-VIFPVBQESA-N 238.718 2.607 0 40 BFAB CCOCCCNCc1ccc(SC)cc1 8253192 UCSPMFPCXRZXEH-UHFFFAOYSA-N 239.384 2.925 0 40 BFAB CCCCN(C)[C@@H](C(=O)O)c1ccccc1 11863962 KNLCYGOABMPBIU-GFCCVEGCSA-N 221.300 2.544 0 40 BFAB CC1CCN(C(=O)/C=C\c2ccccc2)CC1 12417782 ZRCKFMCPKPWIEU-FPLPWBNLSA-N 229.323 2.958 0 40 BFAB O=Cc1cc(O)c2[nH]c3ccccc3c2c1 14445228 OYSFFQUIYNEZKX-UHFFFAOYSA-N 211.220 2.839 0 40 BFAB biogenic CC(=O)[C@H](C)CCCCC[C@@H]1C=CC(=O)O1 14490850 MSOHKYKACHEERC-ZYHUDNBSSA-N 224.300 2.644 0 40 BFAB biogenic,in-vitro C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(N)cc1 22172759 ZMYAMKAVLJRVIV-MFKMUULPSA-N 232.327 2.577 0 40 BFAB O=C(Nc1ccc(F)cc1)c1cc(C2CC2)on1 24370713 MXNWGTBGJGBDNU-UHFFFAOYSA-N 246.241 2.943 0 40 BFAB c1ccc2c(c1)ncn2CN1CCCCCC1 28294839 VFCWMBBVRSTKCR-UHFFFAOYSA-N 229.327 2.870 0 40 BFAB O=C(C[C@H]1C=CCC1)NCCc1ccccc1F 32739419 FAVBNXJMUFXOFM-LBPRGKRZSA-N 247.313 2.841 0 40 BFAB NC[C@H]1C[C@@H]1c1cccc(Br)c1 34893375 MRQUSUULKJTBOR-PSASIEDQSA-N 226.117 2.511 0 40 BFAB CN(CC(=O)O)Cc1c(Cl)cccc1Cl 35304365 VDFDNGFZPLITCO-UHFFFAOYSA-N 248.109 2.510 0 40 BFAB Cc1ccc([C@@H](CN)N2CCC[C@H](C)C2)cc1 38827563 VZNUIVSRDUUPPL-DZGCQCFKSA-N 232.371 2.727 0 40 BFAB O=C(O)/C=C\c1cc(F)cc(Br)c1 39566088 ZIHACLSWYQAINK-UPHRSURJSA-N 245.047 2.686 0 40 BFAB CCc1ccc(OC[C@@H]2CCNC2)c(Cl)c1 42770898 QYUFBZDLEDDYIO-LLVKDONJSA-N 239.746 2.891 0 40 BFAB CC(C)O[C@@H](CN)c1cccc(Cl)c1 43017980 YKHPLFHOQQECRS-NSHDSACASA-N 213.708 2.765 0 40 BFAB COc1ccc(C(=O)c2sccc2C)cn1 43210664 NLHCKFIXIFVLBH-UHFFFAOYSA-N 233.292 2.691 0 40 BFAB Cc1ccc(C(=O)C[C@@H](C)CC(=O)O)cc1C 43214303 PHIVZYIHGJWKOG-SECBINFHSA-N 234.295 2.987 0 40 BFAB Cc1cccnc1C(=O)c1ccc(F)cc1 43616286 APUVRZPRUXFUAX-UHFFFAOYSA-N 215.227 2.760 0 40 BFAB CN[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 53201416 XFQKITOGISHWKB-CYBMUJFWSA-N 238.762 2.524 0 40 BFAB CN(C(=O)Nc1nc2ccccc2s1)C1CC1 63813114 VKPGYRUMUZMAQW-UHFFFAOYSA-N 247.323 2.922 0 40 BFAB CCOc1ccc([C@@H]2CCCN2CC)cn1 72211771 ZJVQSDPCQGCETH-LBPRGKRZSA-N 220.316 2.637 0 40 BFAB CCCNc1ncccc1[C@H]1CCCN1C 72213120 VTZQYRLHYFUEKC-GFCCVEGCSA-N 219.332 2.670 0 40 BFAB CC(=O)N1CCC[C@H]1c1c[nH]c(=S)c(C)c1 72218253 QZPJCKOZRWZZMC-NSHDSACASA-N 236.340 2.736 0 40 BFAB CC(C)N1CCC[C@H]1c1cc(C(F)(F)F)[nH]n1 72348461 NNCPJGLPDHUVIL-VIFPVBQESA-N 247.264 2.974 0 40 BFAB CC(=O)OCCc1ccc(F)c(Cl)c1 95729973 NWMURRIVTFTKLY-UHFFFAOYSA-N 216.639 2.585 0 40 BFAB CCn1cnc2nc(C(C)C)nc(Cl)c21 96529509 PQVKILLDVLTNAV-UHFFFAOYSA-N 224.695 2.623 0 40 BFAB Brc1ccc2c(c1)[C@@H]1O[C@H]1CC2 100185820 SYSQBWSXGVPPCP-UWVGGRQHSA-N 225.085 2.835 0 40 BFAB COc1cc2c(C#N)cnc(Cl)c2cc1OC 148993000 BVMXMLNOPYNZJO-UHFFFAOYSA-N 248.669 2.777 0 40 BFAB CC[C@@H](C)C(=O)c1ccc(N(C)C)cc1 161440086 JALCAECAEDDMSX-SNVBAGLBSA-N 205.301 2.981 0 40 BFAB Fc1ccccc1-c1noc(-c2cccnc2)n1 216617533 RATNTVJNUGTGLS-UHFFFAOYSA-N 241.225 2.938 0 40 BFAB Cn1c(CC2CCCCC2)ccc1C(=O)O 220353886 PWYSIVMPVRIOQZ-UHFFFAOYSA-N 221.300 2.846 0 40 BFAB COC(=O)c1cccn1-c1cc(C)cc(C)c1 223724923 MKAJVYNJIFKIDN-UHFFFAOYSA-N 229.279 2.881 0 40 BFAB F[C@@H]1[C@H]2CC[C@H]1N(Cc1ccccc1)C2 710673607 RVLDFESOLZWXFH-YNEHKIRRSA-N 205.276 2.619 0 40 BFAB Cn1cnc(-c2ccc(C(F)(F)F)cc2F)n1 2362801759 RRABZSFAQIHCTO-UHFFFAOYSA-N 245.179 2.640 0 40 BFAB FC(F)(F)c1ccncc1-n1cccc1 163237 ZEAIUKGVRIDJHL-UHFFFAOYSA-N 212.174 2.891 0 40 BFAB O=C(Nc1ccccc1)c1cccnc1Cl 908782 MPNXSZJPSVBLHP-UHFFFAOYSA-N 232.670 2.987 0 40 BFAB CCc1nn2c(-c3cccc(C)c3)nnc2s1 1018254 UPFUOEMREQVSII-UHFFFAOYSA-N 244.323 2.724 0 40 BFAB Nc1cc(F)c2c(c1F)C(=O)c1cc(F)ccc1-2 1609827 LNDJWVDZIRHOLO-UHFFFAOYSA-N 249.191 2.898 0 40 BFAB NC(=S)c1cc(Cl)cc(Cl)c1 2540603 DQYCYBQFAAOJAR-UHFFFAOYSA-N 206.097 2.628 0 40 BFAB C[C@H]1CCc2nc(NC(=O)C3CC3)sc2C1 3264886 FSKSWBHISHRICV-ZETCQYMHSA-N 236.340 2.616 0 40 BFAB N[C@@H]1C[C@@H]1c1cc(Cl)ccc1Cl 3652585 HWVLFVDCULHPCP-VXNVDRBHSA-N 202.084 2.808 0 40 BFAB COC(=O)c1ccc(NC(=O)CC(C)(C)C)cc1 5496151 GGHKDBKLQIFIDW-UHFFFAOYSA-N 249.310 2.848 0 40 BFAB CCCNCc1cc(Cl)c(OC)c(OC)c1 7262314 IGRXHPPAVLRFQA-UHFFFAOYSA-N 243.734 2.857 0 40 BFAB COc1ccccc1C(=O)Nc1cccc(C)n1 11535879 DITQZYVUOUAZAQ-UHFFFAOYSA-N 242.278 2.651 0 40 BFAB O=C(Nc1ccc2c(c1)CCC2)c1cccnc1 12896998 RIFYALHALNGZMW-UHFFFAOYSA-N 238.290 2.823 0 40 BFAB CCOCCCNCc1ccc2[nH]ccc2c1 15424168 NNNQVCJYJHLANX-UHFFFAOYSA-N 232.327 2.684 0 40 BFAB Cc1occc1C(=O)N1CCCCCCC1 16970507 JJRCNSIRHBMZBO-UHFFFAOYSA-N 221.300 2.994 0 40 BFAB C/C=C\C=C\C(=O)N(C)c1ccccc1 17380366 GKONHAANAMPQJK-KXLXTGLCSA-N 201.269 2.782 0 40 BFAB Cc1nccc(CN2CC=CCC(C)(C)C2)n1 19287527 HTMXHVHFJDUWDC-UHFFFAOYSA-N 231.343 2.573 0 40 BFAB CCOc1cc(C=O)ccc1OCC(F)(F)F 19434584 GMZDKLDKQCRPFT-UHFFFAOYSA-N 248.200 2.839 0 40 BFAB in-vitro CC(=O)Nc1ccc(CN[C@@H](C)C(C)C)cc1 20306191 FLDVQEMPASBUHF-NSHDSACASA-N 234.343 2.779 0 40 BFAB CCc1ccc(OCCN2COC(C)(C)C2)cc1 20445259 DTHYJSSGZFQCDI-UHFFFAOYSA-N 249.354 2.696 0 40 BFAB CCCN1C(=O)C(C)=C(C)[C@H]1SCC 23477839 SIVFYBWSSQDPAH-LLVKDONJSA-N 213.346 2.654 0 40 BFAB O=Cc1c[nH]c2cccc(C(F)(F)F)c12 26894183 YGSKOERZFUTESV-UHFFFAOYSA-N 213.158 2.999 0 40 BFAB CCC(C)(C)NC(=O)Cc1ccc(OC)cc1 32666270 ISTIKCHOBULFGI-UHFFFAOYSA-N 235.327 2.543 0 40 BFAB C/C=C/[C@@H]1CCCN1C(=O)OC(C)(C)C 34497113 KOJWLBLXDVVJHG-BREXMAIKSA-N 211.305 2.962 0 40 BFAB S=C(S)N1CCc2[nH]c3ccccc3c2C1 40162865 DYTADPBJHFTQBD-UHFFFAOYSA-N 248.376 2.741 0 40 BFAB Cc1ccc(CN(C)C(=O)C[C@@H]2C=CCC2)o1 40465372 FMBNNFATTDZEBL-GFCCVEGCSA-N 233.311 2.903 0 40 BFAB CC(C)c1noc(CN2C[C@H](C)C[C@@H](C)C2)n1 40489570 QNDWTSIRDGQICF-GHMZBOCLSA-N 237.347 2.671 0 40 BFAB C[C@H]1C[C@H](C)CN(c2ccnc(=S)[nH]2)C1 45918646 KJJQFJCLZZULMT-IUCAKERBSA-N 223.345 2.621 0 40 BFAB OCc1ccc(-c2ccccc2)c(F)c1 47207734 VIDRFOGBFWHCSO-UHFFFAOYSA-N 202.228 2.985 0 40 BFAB C[C@@H]1CCCCN1c1ccc(-n2cnnc2)cc1 57328118 SNJDNFCLAMZFSW-GFCCVEGCSA-N 242.326 2.646 0 40 BFAB Cc1ncsc1C(=O)NCCCC(C)C 59009603 FYJITMVLXJGFNZ-UHFFFAOYSA-N 226.345 2.618 0 40 BFAB COC(=O)c1cnc(N2CCCCCC2)c(C)c1 72222476 QXTOQRBGHZFHBG-UHFFFAOYSA-N 248.326 2.557 0 40 BFAB COc1cc2c(C(=O)O)c[nH]c2cc1Cl 82360348 KVLNURBTNLNINV-UHFFFAOYSA-N 225.631 2.528 0 40 BFAB in-vitro Cc1nc(C)c(CN[C@@H]2CCCSC2)s1 84062473 RFFYLRMHKIBMBM-SNVBAGLBSA-N 242.413 2.745 0 40 BFAB CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl 89385843 WIGOYGLWPDYVGT-DTWKUNHWSA-N 244.121 2.843 0 40 BFAB CCn1ccc2nc(Cl)nc(Cl)c21 90411146 OMEALJXAHAGMIE-UHFFFAOYSA-N 216.071 2.758 0 40 BFAB CCCCOc1c(F)cc(F)cc1C=O 95732262 IXYJBEFKWABXEM-UHFFFAOYSA-N 214.211 2.956 0 40 BFAB NCc1cccc(C(=O)Cc2ccc(F)cc2)c1 95917833 ZYJGDRYKGYVBPA-UHFFFAOYSA-N 243.281 2.710 0 40 BFAB CCNC(=O)N(CCC(F)(F)F)C1CCC1 96460598 KPZWHDXZUXRIEH-UHFFFAOYSA-N 238.253 2.523 0 40 BFAB Oc1cc(C(F)(F)F)nn1-c1ccc(F)cc1 100072272 AAQODJKYJVPXLB-UHFFFAOYSA-N 246.163 2.736 0 40 BFAB CCO[C@H]1C[C@H](Nc2ccnc(C)n2)C12CCC2 195531024 MJXJMLWZXKLZPS-RYUDHWBXSA-N 247.342 2.545 0 40 BFAB Cc1nc(-c2nc(-c3ccccc3F)no2)co1 216617971 WSMBFAUMJLPTIS-UHFFFAOYSA-N 245.213 2.839 0 40 BFAB CC(C)(CN)CC(C)(C)NC(=O)OC(C)(C)C 221194409 IZIWVNZOVYGIBY-UHFFFAOYSA-N 244.379 2.665 0 40 BFAB Cc1oc(-c2cccc(Cl)c2)nc1CO 409423387 QNNMBYVYHPDHBG-UHFFFAOYSA-N 223.659 2.796 0 40 BFAB CC(C)NC(=O)NCc1ccc(-c2ccco2)o1 575609513 DAGFDZWUFXZJNT-UHFFFAOYSA-N 248.282 2.747 0 40 BFAB COc1c(C=O)ccc(C(F)(F)F)c1F 575708405 OLMXXPGPIPOPIJ-UHFFFAOYSA-N 222.137 2.666 0 40 BFAB C[C@H](Oc1ccnc(C2CC2)n1)C(F)(F)F 585652393 MLBPOMJHHCUFQJ-LURJTMIESA-N 232.205 2.684 0 40 BFAB CC(=O)N(C)c1ccc(NC(=O)C(C)(C)C)cc1 95193 LAEZJVLZUOAKJV-UHFFFAOYSA-N 248.326 2.654 0 40 BFAB NC(=S)COc1cc(Cl)cc(Cl)c1 119908 GXSDTIDTCPOGAD-UHFFFAOYSA-N 236.123 2.658 0 40 BFAB COc1ccc2nc(N3CCCC3)sc2c1 251259 KYRDMSGXPQAQMM-UHFFFAOYSA-N 234.324 2.905 0 40 BFAB Cc1cccc(C(=O)Nc2ccncc2)c1 338606 ROSOUTDABWNWNG-UHFFFAOYSA-N 212.252 2.642 0 40 BFAB CC(C)(C)c1ccc(Cn2nccc2N)cc1 4207365 AVDQVRFFOMTZJH-UHFFFAOYSA-N 229.327 2.811 0 40 BFAB in-vitro CCc1ccccc1OC[C@H]1CCCNC1 14631188 AYOWZWPLFMKWJV-LBPRGKRZSA-N 219.328 2.627 0 40 BFAB CC[C@H](C)Sc1nc2nc(C)cc(C)n2n1 15107910 MHRJTIFANJMEBQ-VIFPVBQESA-N 236.344 2.632 0 40 BFAB COc1ccccc1NC(=O)N[C@H](C)C(C)C 18176125 PQMMIUPKDLDHJF-SNVBAGLBSA-N 236.315 2.861 0 40 BFAB CCC[C@H](C)CNCCc1ccccn1 20089259 KKEMLOGYUMLELF-LBPRGKRZSA-N 206.333 2.650 0 40 BFAB CCCCNC(=O)c1cc(-c2ccccc2)on1 29513945 OUHOUCLDVPXRNX-UHFFFAOYSA-N 244.294 2.872 0 40 BFAB Fc1ccccc1-c1nnc(-c2ccccn2)o1 30824206 AHXPYSLPTGXBLH-UHFFFAOYSA-N 241.225 2.938 0 40 BFAB CON(C)C(=O)c1ccc(-c2ccccc2)cc1 34147155 KTRQMXLVVGLTLX-UHFFFAOYSA-N 241.290 2.987 0 40 BFAB CC(C)Oc1ccc(-n2cccc2C(=O)O)cc1 35431565 BQUHCNNXIDTNJW-UHFFFAOYSA-N 245.278 2.963 0 40 BFAB CC(C)(C(N)=O)c1ccc(Cl)cc1Cl 36108810 XORYITDRVMMYKN-UHFFFAOYSA-N 232.110 2.756 0 40 BFAB COCc1cccc(CNC(=O)CC(C)(C)C)c1 40108429 LKAGEXPHYZXGBQ-UHFFFAOYSA-N 249.354 2.885 0 40 BFAB CN(C)Cc1ccc(F)cc1Br 42229622 QZNXVMZWDWYTQB-UHFFFAOYSA-N 232.096 2.650 0 40 BFAB Cc1ccnc(C(=O)c2cc(F)cc(F)c2)c1 45028632 HGALWUGXGDLXSU-UHFFFAOYSA-N 233.217 2.899 0 40 BFAB CCC(=O)Nc1cccc(Oc2cnccn2)c1 46620085 QGUMVGSVBGNMTF-UHFFFAOYSA-N 243.266 2.617 0 40 BFAB CC(=O)c1ccc(NCc2cc(C)on2)cc1 58337189 ZRDWJVHXJXTSTM-UHFFFAOYSA-N 230.267 2.798 0 40 BFAB Cc1nc(N2CCCC2)ccc1C1=NCCCC1 72218931 LDZBAFABWWOTBJ-UHFFFAOYSA-N 243.354 2.963 0 40 BFAB CO[C@@H](C)c1ccc(SCC(=O)O)cc1 72220261 DTYOZVOTLZLRTI-QMMMGPOBSA-N 226.297 2.571 0 40 BFAB CC(C)c1ocnc1C(=O)N1C[C@@H](C)[C@@H](C)C1 72303679 OJKRKLKXFULZAU-AOOOYVTPSA-N 236.315 2.526 0 40 BFAB c1ccc(CN(C[C@H]2CCCNC2)C2CC2)cc1 79438017 HMRSLQPQXNFITK-HNNXBMFYSA-N 244.382 2.651 0 40 BFAB Cc1ccc(-c2cnnc(Cl)n2)cc1 82532499 VPGACEUEVMQOTK-UHFFFAOYSA-N 205.648 2.500 0 40 BFAB C[C@H](O)C1(c2ccc(Cl)s2)CC1 84366084 UIPZMLPTEPCJRG-LURJTMIESA-N 202.706 2.814 0 40 BFAB Cc1cncc(Br)c1Cl 95763949 LBZUNPHQQIYQGV-UHFFFAOYSA-N 206.470 2.806 0 40 BFAB in-vitro COc1cc2nccc(Cl)c2cc1O 95935598 GXGHEFVSWVGPAO-UHFFFAOYSA-N 209.632 2.602 0 40 BFAB in-vitro CS[C@@H]1CCCC[C@H]1NC(=O)NC1CCC1 98012734 BFVWTHJVGQKKFP-GHMZBOCLSA-N 242.388 2.512 0 40 BFAB CCC[C@H](N)C12C[C@@H]3C[C@H](CC(CN)(C3)C1)C2 100103572 WIRGLDXYFVCGGN-DYALKNRASA-N 236.403 2.659 0 40 BFAB CCOC(=O)C1=C[C@]2(C)CC[C@@H]1C2(C)C 100363230 NHDHCHLKPRUOLN-GWCFXTLKSA-N 208.301 2.932 0 40 BFAB CSC(C)(C)CNC(=O)N1CCCC1(C)C 193893629 LFQNOEZBJQUARN-UHFFFAOYSA-N 244.404 2.712 0 40 BFAB CC(=O)N[C@@H](C)c1cc(C)c(C)cc1C 223392323 YKLGSCQPZWRCGR-NSHDSACASA-N 205.301 2.809 0 40 BFAB COc1ccc(NC(=O)C2(C)CCCC2)c(C)n1 225880860 KMJCXMGNBGROQK-UHFFFAOYSA-N 248.326 2.917 0 40 BFAB CCn1nc(C)cc1NCc1cccs1 256052849 OXIDBUZOAUBSMA-UHFFFAOYSA-N 221.329 2.885 0 40 BFAB Cn1nc(C2CC2)cc1NCc1ccco1 256053105 QBGAETIUCPWQEX-UHFFFAOYSA-N 217.272 2.503 0 40 BFAB Cc1nccnc1N1CCC(C(F)(F)F)CC1 290741693 HLIMDYCVPZJFCG-UHFFFAOYSA-N 245.248 2.564 0 40 BFAB CCCCn1nccc1CO[C@@H](C)CC 408716455 NFQLCMLUTODERV-NSHDSACASA-N 210.321 2.998 0 40 BFAB FC(F)(F)C1CN(Cc2cc(C3CC3)on2)C1 2298032367 HARUEWSPVHFOGB-UHFFFAOYSA-N 246.232 2.546 0 40 BFAB COc1ccc(O)c(C(=O)Cc2ccccc2)c1 158054 QPZPDEQXYWACLE-UHFFFAOYSA-N 242.274 2.826 0 40 BFAB CC(=O)Nc1ccc(NC(C)=O)c2ccccc12 345460 XKHMUEVDKPMGGI-UHFFFAOYSA-N 242.278 2.757 0 40 BFAB CSc1nc2c(=S)[nH]c(S)nc2s1 1579874 YVFHEBZPVMDKEG-UHFFFAOYSA-N 247.395 2.759 0 40 BFAB CC(C)[C@H](C)[C@@H](C(=O)O)C1(O)CCCCC1 1593060 XVDPCTZQBOQBKK-QWRGUYRKSA-N 228.332 2.675 0 40 BFAB S=C1NCCN1c1cccc2ccccc12 1722336 ABXQVILZWXJCGP-UHFFFAOYSA-N 228.320 2.534 0 40 BFAB NC(=O)/C(=C/c1ccccc1)c1ccccc1 2168732 VTOAFAPBGXLGME-SDNWHVSQSA-N 223.275 2.713 0 40 BFAB O=C(NC1CCCCCC1)c1ccncc1 3411384 SWGLMPGPBDJCGN-UHFFFAOYSA-N 218.300 2.534 0 40 BFAB Cc1cc(C)cc(CN2CCC[C@H](C(=O)O)C2)c1 3749660 NMUYNXTWYHTYTB-AWEZNQCLSA-N 247.338 2.600 0 40 BFAB C[C@@H]1CCC[C@@](O)([C@H](C(=O)O)c2ccccc2)C1 4692459 ZXADRCVGENLGTA-ZLDLUXBVSA-N 248.322 2.796 0 40 BFAB CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@](C)(O)[C@@H]2CO 4854762 MLWFPIRGSGERCY-MYZSUADSSA-N 240.387 2.972 0 40 BFAB CC(C)c1ccccc1NC(=O)CCC(=O)O 5413891 JXJXZYKBWQRTIO-UHFFFAOYSA-N 235.283 2.613 0 40 BFAB CCCCNC(=O)COc1ccc(Cl)cc1 5465704 AUENTWKCJYNAFE-UHFFFAOYSA-N 241.718 2.635 0 40 BFAB C[C@@]1(c2ccccc2)CC[C@H](O)C[C@@H]1CC(=O)O 5495705 AYPMWMZTVODKNC-IPYPFGDCSA-N 248.322 2.580 0 40 BFAB Cc1cc(C(=O)O)nn1-c1cccc(Cl)c1 11801992 ZJZSTSGENIKDPP-UHFFFAOYSA-N 236.658 2.532 0 40 BFAB in-vitro O=C(O)c1cc2ccc(F)cc2nc1Cl 11985716 MHGHQQPGIMHFEW-UHFFFAOYSA-N 225.606 2.726 0 40 BFAB in-vitro Cc1cccc(COC[C@H]2CCCNC2)c1 14631111 REQIANPKMILSCH-AWEZNQCLSA-N 219.328 2.511 0 40 BFAB CCSc1nc(-c2cccs2)n[nH]1 16049058 XSTVHGSCVUUJCJ-UHFFFAOYSA-N 211.315 2.645 0 40 BFAB CCCNC(=O)[C@H](CC)Oc1ccc(F)cc1 20457347 DAKACIWPDIAPSL-LBPRGKRZSA-N 239.290 2.509 0 40 BFAB O=C(O)c1cc2cc(F)c(F)cc2nc1Cl 34384621 ALWUTFXRAKXRNG-UHFFFAOYSA-N 243.596 2.865 0 40 BFAB CSc1ccc(C)c(C(=O)Nc2cn[nH]c2)c1 35237953 UILJIXCDYVAZSD-UHFFFAOYSA-N 247.323 2.692 0 40 BFAB O[C@@H](CNCc1ccccc1)c1cccc(F)c1 37873784 XMHRYDGSTMUGDH-HNNXBMFYSA-N 245.297 2.649 0 40 BFAB CC(C)c1n[nH]c(N)c1-c1ccccc1F 41232405 MMXVQHUTHJKAEI-UHFFFAOYSA-N 219.263 2.921 0 40 BFAB O=C(C[C@H]1C=CCC1)NC(C1CC1)C1CC1 42025400 BTBYAVMXDACUEW-JTQLQIEISA-N 219.328 2.648 0 40 BFAB CCOC(OCC)c1cccc(C(C)=O)c1 43501999 VJOWFGUGQMHQFG-UHFFFAOYSA-N 222.284 2.961 0 40 BFAB CCc1ccccc1O[C@H](C)C(=O)NCC(C)C 44948996 VFDSWFHSLDJHGY-GFCCVEGCSA-N 249.354 2.789 0 40 BFAB CCO[C@H](CNC)c1ccccc1Cl 50481976 UJCAJPLATVIQQQ-LLVKDONJSA-N 213.708 2.637 0 40 BFAB CCOC(=O)/C=C/c1ccc(OC)c(Cl)c1 72209092 BKYWZQDYDKFGSF-FNORWQNLSA-N 240.686 2.925 0 40 BFAB c1cc(N2CCCCC2)ncc1[C@@H]1CCCCN1 72216054 XDAUFQYTMUOHLF-AWEZNQCLSA-N 245.370 2.887 0 40 BFAB c1ccc([C@H]2CCCN2c2ccncc2)nc1 72356931 KTCUKKXOWCASOR-CQSZACIVSA-N 225.295 2.818 0 40 BFAB Cc1nc2cc(N[C@H]3CCSC3)ccc2n1C 75187639 WRDNHSHDCKBDIL-NSHDSACASA-N 247.367 2.799 0 40 BFAB FC(F)(F)C1CCN(Cc2cccnc2)CC1 75969298 XYRDLHIDQXUFSK-UHFFFAOYSA-N 244.260 2.856 0 40 BFAB C[C@H]1CC[C@H](C)N(CCc2ccccn2)C1 76150551 ZUZIVYUHJKOJJC-STQMWFEESA-N 218.344 2.745 0 40 BFAB C1CCCC(c2noc([C@H]3CCCNC3)n2)CC1 87945620 YYBGOBHLKVBNKU-LBPRGKRZSA-N 249.358 2.974 0 40 BFAB CC(C)c1nsc(N2C[C@H]3CCC[C@H]3C2)n1 89893693 HXLPXGKROWDMMH-AOOOYVTPSA-N 237.372 2.898 0 40 BFAB CCOC(=O)c1[nH]ccc1-c1cccc(OC)c1 92721613 OLFIZZAXKBUOSI-UHFFFAOYSA-N 245.278 2.867 0 40 BFAB C[C@@H](OC(=O)COC(C)(C)C)c1ccccn1 95465921 NQEASZDTDPPMHN-SNVBAGLBSA-N 237.299 2.501 0 40 BFAB CCCCOc1cc(F)cc(CCO)c1 95732074 XGZASXJDXLMXAB-UHFFFAOYSA-N 212.264 2.539 0 40 BFAB CC(C)n1cc(N)c(NC2CCCCC2)n1 95836722 RTASTEPKCGDLNW-UHFFFAOYSA-N 222.336 2.791 0 40 BFAB FC(F)(F)Cn1ccnc1-c1ccccn1 95990860 TYEHWBOLVNZXPP-UHFFFAOYSA-N 227.189 2.507 0 40 BFAB Fc1cccc(-c2n[nH]c3c2[C@@H]2CC[C@H](C3)N2)c1 96510275 BRQQYIVRYHCCQP-MNOVXSKESA-N 243.285 2.565 0 40 BFAB Cl[C@]12C[C@H]3[C@H]4C[C@](Cl)(O1)[C@H]1[C@H]4C[C@H]3[C@@H]12 100246465 XACQLMSONRGALD-YSNIHRDCSA-N 231.122 2.809 0 40 BFAB O=C(OCCc1ccccc1)[C@@H]1C[C@H]2C=C[C@H]1C2 104391961 XKOYSRHHVYJVSY-SOUVJXGZSA-N 242.318 2.985 0 40 BFAB CS[C@H]1CC[C@H](N(C)C[C@@H]2CCCCO2)C1 110641711 FGZKQWBWHRJSSX-AVGNSLFASA-N 243.416 2.771 0 40 BFAB Cc1nn(C(C)C)c2c1CC[C@@H](C1CC1)N2 225813574 SVYZNJCWUWTFLO-LBPRGKRZSA-N 219.332 2.909 0 40 BFAB Cc1c(NCCc2ccccc2)cnn1CCF 256053769 STQURHDVZBLSHY-UHFFFAOYSA-N 247.317 2.816 0 40 BFAB C[C@@H]1CCc2nnc(OCC(F)(F)F)cc2C1 585654658 KHNUGQHPBPOXLR-SSDOTTSWSA-N 246.232 2.543 0 40 BFAB c1ccc(Oc2nccn3nccc23)cc1 1888914347 OJGKGKCYPGYMEE-UHFFFAOYSA-N 211.224 2.522 0 40 BFAB COc1ccccc1C(=O)Nc1ccc(O)cc1 992982 LXNXWBLKTWRVII-UHFFFAOYSA-N 243.262 2.653 0 40 BFAB COc1ccc(OC)c2c(C)c(C)[nH]c12 1686251 TXUCJSRUALPKHM-UHFFFAOYSA-N 205.257 2.802 0 40 BFAB CC(C)c1ccc(OC(=O)N(C)C)cc1 1842797 IDOUOCYLUZSECY-UHFFFAOYSA-N 207.273 2.870 0 40 BFAB C[C@H](N)Cc1c(Cl)cc(N(C)C)cc1Cl 1996041 DWBMENXBKOCHLV-ZETCQYMHSA-N 247.169 2.949 0 40 BFAB COC(=O)CC[C@]1(c2ccccc2)CCCC1=O 2033734 ZUBFBJXFVJOUKU-HNNXBMFYSA-N 246.306 2.631 0 40 BFAB CC1=CC[C@H](C(N)=O)[C@@H](c2ccc(F)cc2)C1 4784972 CRWYRQUYJZNOMC-QWHCGFSZSA-N 233.286 2.751 0 40 BFAB O=C(NCc1ccc(Cl)cc1)C(F)(F)F 5673762 RLPUAASRBOLJJA-UHFFFAOYSA-N 237.608 2.519 0 40 BFAB Cc1ccc(NC(=O)[C@H]2CCCO2)c(Cl)c1 5937630 UUOQHUPITZBUOD-LLVKDONJSA-N 239.702 2.766 0 40 BFAB CC[C@H](C)NC(=O)Nc1ccc(F)cc1F 9256322 FNUAIGNNXOOZJC-ZETCQYMHSA-N 228.242 2.885 0 40 BFAB C[C@H]1CNC[C@@H](C)N1c1ccccc1Cl 11632657 IFUNTWXOFLJIFM-AOOOYVTPSA-N 224.735 2.527 0 40 BFAB Cc1csc(Cc2ccc(C(=O)O)cc2)n1 11729865 JLMRUPVVDKMOHY-UHFFFAOYSA-N 233.292 2.741 0 40 BFAB CC[C@H](C)C(=O)N[C@@H]1CCCc2occc21 12913632 GJDNNABSILAWNY-GXSJLCMTSA-N 221.300 2.819 0 40 BFAB CSc1ccc(NC(=O)c2cccn2C)cc1 12977246 GPQYQXHHFVNBPO-UHFFFAOYSA-N 246.335 2.999 0 40 BFAB Cc1ccc(C)n1CC(=O)Nc1ccccc1 14153035 KBFSDLSDIONTPC-UHFFFAOYSA-N 228.295 2.744 0 40 BFAB CC(C)[C@@H](N)c1nc2ccccc2s1 19517930 NBWSEAMUWTUVJB-SNVBAGLBSA-N 206.314 2.952 0 40 BFAB CCCOc1ccccc1CNC(C)C 20924589 HCCFIVIGPUERQI-UHFFFAOYSA-N 207.317 2.973 0 40 BFAB CCOc1c(C)cc2nc(C)[nH]c2c1C 22135281 XYZHJEGYCXKIAO-UHFFFAOYSA-N 204.273 2.887 0 40 BFAB O=C(Nc1ccc2c(c1)CCO2)NC1CCCC1 31042513 IACZLCFXKLAAAG-UHFFFAOYSA-N 246.310 2.686 0 40 BFAB Cc1cc(C(=O)NCC2CC2)c(C)s1 32906084 KZYTYAQYIXGNMR-UHFFFAOYSA-N 209.314 2.505 0 40 BFAB Cc1ccccc1NC(=O)COCC(F)(F)F 36391480 KKDHTDYHXKCSBZ-UHFFFAOYSA-N 247.216 2.512 0 40 BFAB O[C@H]1CCCC[C@@H]1NCc1ccccc1Cl 37490702 OBOQRKKXOSYEHB-STQMWFEESA-N 239.746 2.733 0 40 BFAB CCCCOC(=O)[C@H](C)Oc1ccc(O)cc1 39340816 MPNXVFDGEQKYAY-JTQLQIEISA-N 238.283 2.503 0 40 BFAB Cc1ccc(CNC(=O)c2cc(C)no2)c(C)c1 40069662 NQKQYYUQQHWVAQ-UHFFFAOYSA-N 244.294 2.530 0 40 BFAB CC(C)Cn1nnc(-c2ccc(Cl)cc2)n1 40161770 PWBAEYXSWMGOAU-UHFFFAOYSA-N 236.706 2.650 0 40 BFAB CCOC(=O)c1c[nH]c2c(C)cccc12 44201090 BIOFSBISOZTVAU-UHFFFAOYSA-N 203.241 2.653 0 40 BFAB O=C(O)Cc1ccc(O)c(-c2ccccc2)c1 62720064 QSTRNCHHKMCZKJ-UHFFFAOYSA-N 228.247 2.686 0 40 BFAB in-vitro CSc1ncccc1[C@H]1CCCN1C 72216926 YNDNPNAULCMPDB-SNVBAGLBSA-N 208.330 2.570 0 40 BFAB O=CN1CCC[C@@H]1c1cnc2ccccc2c1 72219555 PCBFZNBXIFXJTP-CQSZACIVSA-N 226.279 2.528 0 40 BFAB CCn1ccc(-c2ncnn2C2CCCCC2)n1 91475746 IGUYYGPZNQMFLK-UHFFFAOYSA-N 245.330 2.667 0 40 BFAB CCn1c(CCCO)nc2cccc(Cl)c21 95095681 JEXWFPQXGGKVFV-UHFFFAOYSA-N 238.718 2.635 0 40 BFAB C[C@H]1O[C@@H](C)[C@H](C)[C@H](c2ccccc2O)O1 101105840 OSYQUVFLQIPNCW-AVWBDOJWSA-N 222.284 2.851 0 40 BFAB CC1(C)C[C@@H]2[C@H]1CC[C@]1(C)C[C@]2(O)CC[C@@H]1O 104080786 SFJOMLIUSIKKRA-GGUBGCTKSA-N 238.371 2.725 0 40 BFAB CCOc1ccc([C@@H]2C[C@@H]2[C@H](C)O)cc1 108350553 ADGXOVIRURHYPI-BIMULSAOSA-N 206.285 2.570 0 40 BFAB COc1cc(CN2CCC(C)CC2)ccc1O 131855199 SPMYMDCCXPGBDI-UHFFFAOYSA-N 235.327 2.633 0 40 BFAB COCCCNCc1cc(C)n(C(C)C)c1C 223675449 XYGYPEWLYDGMQX-UHFFFAOYSA-N 238.375 2.812 0 40 BFAB CCNCc1cccn1-c1ccc(F)cc1 223683550 ZROPCPHADMWBCW-UHFFFAOYSA-N 218.275 2.726 0 40 BFAB COC(=O)c1cc(C)n(C(C)(C)C)c1C 223697230 VOIBMKPWTRBOKW-UHFFFAOYSA-N 209.289 2.647 0 40 BFAB O=C(Nc1cccc2ncccc12)c1ccncc1 810239 SMXJCOUXQASYKW-UHFFFAOYSA-N 249.273 2.882 0 40 BFAB c1coc(-c2ccnc(-n3cccc3)n2)c1 1394831 RNRUXSMPKQHGOL-UHFFFAOYSA-N 211.224 2.527 0 40 BFAB CCOC(=O)CC[C@]1(C)OCC(C)(C)[C@H](C)O1 1667406 BXJLGLKPKQSHGT-GXFFZTMASA-N 244.331 2.507 0 40 BFAB O=C(O)c1ccc2c(c1)-c1ccc(C(=O)O)cc1-2 2579274 CYISDYQPECMUKK-UHFFFAOYSA-N 240.214 2.730 0 40 BFAB Cc1ccc(NC(=O)c2ccccn2)cc1F 3451574 ORHSAALRAKPIIP-UHFFFAOYSA-N 230.242 2.781 0 40 BFAB CC[C@@H]1SC2=Nc3ccccc3CN2C1=O 6555388 SGDKZNDZPKOSOE-JTQLQIEISA-N 232.308 2.542 0 40 BFAB CC[C@@H](C)NC(=O)c1ccc2ccccc2n1 7003826 SWNCREUURWDINS-SNVBAGLBSA-N 228.295 2.763 0 40 BFAB C[C@@H](NC(=O)Nc1ccc(F)cc1F)C1CC1 8728707 WNXOUANCFKZCOM-SSDOTTSWSA-N 240.253 2.885 0 40 BFAB Cn1ncc2nc3c(c(Cl)c21)CCCC3 12394906 PMJBQCGDFFVJFS-UHFFFAOYSA-N 221.691 2.501 0 40 BFAB Cc1ccc(NC(=O)[C@H](C)n2cccn2)cc1C 12921478 KCCWDTXZJPAEBH-LBPRGKRZSA-N 243.310 2.700 0 40 BFAB Cc1cc(C(=O)O)c2c(CC(C)(C)C)noc2n1 19255301 SVSKVVCYOFLHPE-UHFFFAOYSA-N 248.282 2.818 0 40 BFAB CC(C)[C@H](CNCc1ccccc1)N1CCCC1 20200910 ZONRGUDLRQKYFF-INIZCTEOSA-N 246.398 2.897 0 40 BFAB O=C(O)/C=C/c1ccc2ccc(Cl)cc2n1 20281493 DTGDXORPULFIOX-AATRIKPKSA-N 233.654 2.986 0 40 BFAB Clc1ccc2c(c1Cl)CCNC2 20594001 LFJDFVQLTLKBJM-UHFFFAOYSA-N 202.084 2.639 0 40 BFAB CCCc1noc(N)c1Cc1ccccc1 26512434 JASLIYBCVITZRQ-UHFFFAOYSA-N 216.284 2.800 0 40 BFAB N[C@]1(C(=O)O)CCCCC[C@@H]1c1ccccc1 26894880 HOMJXBBZJQKYIN-TZMCWYRMSA-N 233.311 2.516 0 40 BFAB CC[C@H](C)C(=O)N[C@H](C)c1ccc2c(c1)OCO2 28305272 AKIDXHDKTYAVEU-VHSXEESVSA-N 249.310 2.639 0 40 BFAB O=C(c1cccs1)N1CCOc2ccccc21 30578390 QTZHEIVELKFZAJ-UHFFFAOYSA-N 245.303 2.787 0 40 BFAB Cc1cccc(CNC(=O)[C@@H]2CC=CCC2)c1 32760730 MRVGKJFEOYBRST-CQSZACIVSA-N 229.323 2.968 0 40 BFAB Cc1ccc(C(=O)CC(=O)OC(C)(C)C)cc1 34290983 SAHWYPRVBBXIFL-UHFFFAOYSA-N 234.295 2.910 0 40 BFAB CC(C)C[C@H]1NC(=O)O[C@@H]1c1ccccc1 34318343 YYHKDAYVJJZHEN-VXGBXAGGSA-N 219.284 2.882 0 40 BFAB Nc1ccccc1NC(=O)C[C@H]1C=CCC1 36269977 IQVUGXWFXKDEOI-JTQLQIEISA-N 216.284 2.564 0 40 BFAB in-vitro O[C@@H](c1ccsc1)c1cccc(F)c1 37464968 IYLGKYGLSNZUQI-LLVKDONJSA-N 208.257 2.969 0 40 BFAB O=C(CC(F)(F)F)N1CC[C@H]2CCCC[C@@H]2C1 44601579 IGBRBWYENLMOSF-NXEZZACHSA-N 249.276 2.978 0 40 BFAB COc1cccc(C(=O)c2ccc(C)cn2)c1 45028526 BERWDLLHOCKZMQ-UHFFFAOYSA-N 227.263 2.630 0 40 BFAB CC(C)(C)c1ncc(C(=O)NCC2CC2)s1 49033664 ORJRQUAZJYVIKD-UHFFFAOYSA-N 238.356 2.580 0 40 BFAB CCN(Cc1ccccc1)C(=O)c1ccoc1 53275718 GTQANCJGRKQPEM-UHFFFAOYSA-N 229.279 2.942 0 40 BFAB Cc1ccccc1CC(=O)N1CCC(C)CC1 58955313 UZMOKHDAIMILPJ-UHFFFAOYSA-N 231.339 2.796 0 40 BFAB Cc1cc(CN(C2CC2)[C@@H](C)C(C)C)no1 69367760 HHKRTRJDUJFBEX-NSHDSACASA-N 222.332 2.992 0 40 BFAB Cc1cc(S)ncc1[C@H](N)c1ccccc1 72223793 SJWPBXWKRJQQEX-CYBMUJFWSA-N 230.336 2.727 0 40 BFAB Cc1cc(N2CCc3ccccc32)ncc1C=O 72223932 BPGDFBVMUVVEQZ-UHFFFAOYSA-N 238.290 2.897 0 40 BFAB CC(C)(C)OC(=O)Nc1cccc(F)n1 89228999 KQIDGCBGBJAACK-UHFFFAOYSA-N 212.224 2.568 0 40 BFAB Cc1n[nH]cc1Nc1ncnc2c(C)cccc12 95418989 HOSANTMJWBPCOE-UHFFFAOYSA-N 239.282 2.713 0 40 BFAB Cc1ncccc1OCc1c(C)noc1C 96007479 UMALAEJMFNSSJM-UHFFFAOYSA-N 218.256 2.574 0 40 BFAB CN(Cc1ccncc1)C[C@H]1CC=CCC1 97086377 IRMNLMOKTPQSOF-ZDUSSCGKSA-N 216.328 2.870 0 40 BFAB CN(C)/C=C1/Oc2ccccc2N=C1Cl 100255494 AQUPIXZBNDANQY-JXMROGBWSA-N 222.675 2.751 0 40 BFAB CCOC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 109153129 WKJJNMWERMSARF-BDAKNGLRSA-N 226.222 2.631 0 40 BFAB COc1cccc(OC)c1/C=C/c1ccncn1 195550732 HZFCMQAUVVGJOX-VOTSOKGWSA-N 242.278 2.664 0 40 BFAB Cc1cn[nH]c1[C@@H]1CCN(Cc2ccsc2)C1 205688229 HXROWEXTWIZONR-GFCCVEGCSA-N 247.367 2.769 0 40 BFAB CCC(=O)Nc1cc(Cl)c(C)cc1N 226346849 MZSIDISSIWOGTB-UHFFFAOYSA-N 212.680 2.579 0 40 BFAB COC(=O)c1[nH]ccc1-c1cccc(F)c1 258033628 CXYQIPYMTVOFGM-UHFFFAOYSA-N 219.215 2.607 0 40 BFAB CCN(c1cccc(Cl)c1C)[C@H](C)C(=O)O 260677395 CLPKIVKBHKMPQQ-SECBINFHSA-N 241.718 2.948 0 40 BFAB CCn1ccs/c1=N\C(=O)c1ccccc1C 408560611 DPLBQDHMEMUDFD-YPKPFQOOSA-N 246.335 2.619 0 40 BFAB O=C(O)C1=CC=C(C2=CC=CCS2)SC1 514267369 BTRVHPKEWJNDGE-UHFFFAOYSA-N 238.333 2.815 0 40 BFAB C[C@@H]1CCCN(C(=O)c2ccccc2F)C1 1460930 BNRUHXFLAYZLRK-SNVBAGLBSA-N 221.275 2.698 0 40 BFAB O=c1[nH]c(C2CCCCC2)nn1-c1ccccc1 3845667 JYPPRIMLYQHLQR-UHFFFAOYSA-N 243.310 2.608 0 40 BFAB O=[N+]([O-])/C=C\c1c(F)cccc1Cl 19616391 JCIAIKBVPVMTBD-PLNGDYQASA-N 201.584 2.727 0 40 BFAB COc1ccc(NC(=O)CC2CCCCC2)cn1 26566157 XDULWLONPNBURG-UHFFFAOYSA-N 248.326 2.999 0 40 BFAB O=Cc1ccc(N[C@H](CO)c2ccccc2)cc1 26897166 HFEJSHLFXWQQTL-OAHLLOKOSA-N 241.290 2.645 0 40 BFAB CCCCCOC(=O)CC(=O)OCCCCC 32162124 MOJJCFBDUWMVJK-UHFFFAOYSA-N 244.331 2.843 0 40 BFAB C[C@@H]1CCCN(C(=O)[C@H]2CC=CCC2)C1 32843729 BJJIRGXHGXQQKS-NEPJUHHUSA-N 207.317 2.601 0 40 BFAB CSc1nnc(-c2ccccc2C)n1C 32944897 OYKGGUKXCGUENV-UHFFFAOYSA-N 219.313 2.512 0 40 BFAB O=C(O)/C=C\c1c(F)ccc(F)c1Cl 33373881 IHWVLAUNJHXFGN-RJRFIUFISA-N 218.586 2.716 0 40 BFAB CCOCCN[C@H](C)c1ccc(C)s1 36228933 XHLWNBJUVXSQKW-SNVBAGLBSA-N 213.346 2.744 0 40 BFAB CN(Cc1ccsc1)C(=O)CCc1ccco1 36397932 XNZHPIPHZJAAGE-UHFFFAOYSA-N 249.335 2.932 0 40 BFAB COc1ccc(/C=C\C(=O)O)c2ccccc12 36532698 BDWSMCXLZKKQFV-CLFYSBASSA-N 228.247 2.946 0 40 BFAB CCn1cc(-c2cnc3ccccc3n2)c(C)n1 36615455 CWBMXINOBRKZSK-UHFFFAOYSA-N 238.294 2.822 0 40 BFAB COc1csc(OC)c1Br 39294938 KTSGLSQNRNQDPN-UHFFFAOYSA-N 223.091 2.528 0 40 BFAB CCN(C(=O)[C@H]1C[C@@H]1C)c1ccccc1 40461134 PRCBUJIYNLCWPF-JQWIXIFHSA-N 203.285 2.696 0 40 BFAB C[C@@H]1CCCC[C@@H]1NC(=O)c1ccnc(F)c1 41038709 XAUJYEPLUXYYNZ-KOLCDFICSA-N 236.290 2.529 0 40 BFAB c1ccc2c(c1)CCC[C@H]2[C@@H]1CCCN1 54668484 FZCLJELINMIBEH-KGLIPLIRSA-N 201.313 2.859 0 40 BFAB in-vitro CCOC(=O)CCCCCCCCCN 59521005 YRHOMRTZQDCVNG-UHFFFAOYSA-N 215.337 2.629 0 40 BFAB Cc1cnn(C[C@H](C)NCc2sccc2C)c1 69454135 YPFJPDWSRVGASE-LBPRGKRZSA-N 249.383 2.740 0 40 BFAB CC[C@@H](C)Nc1ncccc1[C@@H]1CCCN1C=O 72213367 KCHJOWHCWJPCDB-YPMHNXCESA-N 247.342 2.585 0 40 BFAB CCc1c(C(C)C)nc2onc(C)c2c1C(=O)O 72220521 CZUCAZZRTQMLDH-UHFFFAOYSA-N 248.282 2.915 0 40 BFAB CS[C@H]1CCC[C@H]1N(C)Cc1ccncc1 76147717 YXXAIBOGHXAHKN-OLZOCXBDSA-N 236.384 2.798 0 40 BFAB CNC(=O)Nc1ccc(-c2csc(C)n2)cc1 78787461 FONILABZBMQEDU-UHFFFAOYSA-N 247.323 2.870 0 40 BFAB FC(F)(F)CCN(Cc1ccon1)C1CCC1 84618114 CCXXXSRZLMAVSV-UHFFFAOYSA-N 248.248 2.982 0 40 BFAB CCC(CC)N(C)C(=O)N[C@@H](C)C(C)C 84727511 CCQDSBWWPXUSOK-JTQLQIEISA-N 214.353 2.861 0 40 BFAB CCc1c(F)cncc1Br 85225012 PJVGIIITJQCCRC-UHFFFAOYSA-N 204.042 2.546 0 40 BFAB CO/C(=C(/OC)C(F)(F)F)C(F)(F)F 97437789 RPFSISQUSPIRRJ-ONEGZZNKSA-N 224.100 2.615 0 40 BFAB CCCOC(=O)OCC(F)(F)C(F)(F)F 169795737 AWYZONOZKFCODL-UHFFFAOYSA-N 236.136 2.747 0 40 BFAB Fc1ccc(CN2CCN[C@@H]3CCCC[C@H]32)cc1 218830941 YOEMQQJWCGJVPD-HUUCEWRRSA-N 248.345 2.542 0 40 BFAB Cc1c(Cl)ccc2c(NCCN)ccnc12 222679467 RPUKBXWVEDTPKM-UHFFFAOYSA-N 235.718 2.567 0 40 BFAB CCC(C)(C)NC(=O)c1ccc(OC)c(C)c1 222948076 FZUMFVBUSPELAH-UHFFFAOYSA-N 235.327 2.922 0 40 BFAB CC(=O)Oc1cccc(C(=O)C2CCC2)c1 309381857 YWRJMFICIOJSKQ-UHFFFAOYSA-N 218.252 2.595 0 40 BFAB CC[C@H](C)OCc1ccnn1CC(C)C 408716780 QUOYODBXVCBSME-NSHDSACASA-N 210.321 2.854 0 40 BFAB CC[C@@H](C)OC(=O)OCCOCC(F)(F)F 1083809187 UVBUMZOWHFOWPI-SSDOTTSWSA-N 244.209 2.517 0 40 BFAB O=C(Nc1ccc(F)cc1F)C(F)(F)Cl 162785 YCJRGNPPKUHVQB-UHFFFAOYSA-N 241.571 2.735 0 40 BFAB O=C(/C=C/c1ccco1)NC1CCCCC1 574621 PGYYMOZMCYSXOG-CMDGGOBGSA-N 219.284 2.742 0 40 BFAB O=C(Nc1ccc(F)cc1F)c1ccncc1 993926 MDQYPHPIATXIJB-UHFFFAOYSA-N 234.205 2.612 0 40 BFAB CN1CC=C(c2ccc3cc[nH]c3c2)CC1 2526976 FBFHQWFOTVCYJQ-UHFFFAOYSA-N 212.296 2.887 0 40 BFAB in-vitro CC[C@@H]1CN=C(Nc2cccc(OC)c2)S1 3228237 NVQONLPKBDCYGW-LLVKDONJSA-N 236.340 2.989 0 40 BFAB Cc1cc2c(c(C)[n+]1C)Cc1ccccc1-2 5541637 RGQUUUZUKWVDLD-UHFFFAOYSA-N 210.300 2.699 0 40 BFAB CCc1n[nH]c(SCc2ccccc2)n1 5686703 AJADTUDMQIKBRU-UHFFFAOYSA-N 219.313 2.659 0 40 BFAB CSc1ccc2[nH]c(=O)cc(C)c2c1 8716787 SDTDDKCWIYAIOT-UHFFFAOYSA-N 205.282 2.558 0 40 BFAB CCOc1ccccc1NC(=S)NC1CC1 13792246 CPCLNWPEYCYKBD-UHFFFAOYSA-N 236.340 2.534 0 40 BFAB Fc1cccc2c(C3=CCNCC3)c[nH]c12 19772463 LGCVGUGCTQBGJA-UHFFFAOYSA-N 216.259 2.684 0 40 BFAB in-vitro CC1CCC(NC(=O)Cc2cccc(N)c2)CC1 20155071 ZNXKQRQZUNFZNQ-UHFFFAOYSA-N 246.354 2.506 0 40 BFAB FC(F)(F)[C@@H]1NCCc2c1[nH]c1ccccc21 20223823 MTJHHRXTCMKWEC-LLVKDONJSA-N 240.228 2.917 0 40 BFAB Nc1cccc(Oc2ccnc(Cl)n2)c1 20358089 XCYKCLLZDOOWEG-UHFFFAOYSA-N 221.647 2.505 0 40 BFAB C[C@@H]1Cc2cccc(Br)c2C1=O 34752748 QHKFBWKOHWQEFW-ZCFIWIBFSA-N 225.085 2.824 0 40 BFAB CC1(C)CCC[C@@]2(C)C=C(C(=O)O)[C@@H](O)C[C@H]12 35271628 LQZXAHKUYJVAAR-WDMOLILDSA-N 238.327 2.595 0 40 BFAB biogenic,in-vitro CCCn1c(CN)nc2cccc(Cl)c21 37444067 DGFXPJARYMIHKQ-UHFFFAOYSA-N 223.707 2.558 0 40 BFAB C[C@@H](Nc1cc(Cl)nc(N)n1)c1ccccc1 43534313 IDKMCTUUHBDJFU-MRVPVSSYSA-N 248.717 2.885 0 40 BFAB C[C@@H]1CC[C@H](O)[C@H](OCc2ccccc2)C1 44191867 WLKXDBANPPQFNX-KWCYVHTRSA-N 220.312 2.753 0 40 BFAB CCC(O)(CC)c1ccc(OC)c(F)c1 55261520 WHKRSCFWYGXIPZ-UHFFFAOYSA-N 212.264 2.842 0 40 BFAB CC(C)[C@@H](N)CCN(C)C1CCCCC1 58058256 GYWLGCSROGMVQV-ZDUSSCGKSA-N 212.381 2.624 0 40 BFAB Cc1cc(N2CCC[C@H](C)C2)ccc1N 59233829 TUIRJNXXCYWNIU-JTQLQIEISA-N 204.317 2.814 0 40 BFAB FC(F)(F)c1ccn(Cc2ccccc2)n1 60059119 OOVYVKRBJUVJAB-UHFFFAOYSA-N 226.201 2.950 0 40 BFAB Cc1cnn([C@H](C)[C@@H](C)NCc2ccsc2)c1 69491599 AZPUCFRNCFLPBT-VXGBXAGGSA-N 249.383 2.992 0 40 BFAB C=Cc1ccc(I)nc1C 72219689 BVACTQMLIRZYMZ-UHFFFAOYSA-N 245.063 2.638 0 40 BFAB Cc1cc(OCc2ccccc2)ncc1[C@@H](C)N 72223428 RMHVMLOEFWYHHW-GFCCVEGCSA-N 242.322 2.989 0 40 BFAB CC(C)Nc1ccc([C@@H](O)c2ccccc2)cn1 72225068 MICQTBGSFRUMGR-HNNXBMFYSA-N 242.322 2.984 0 40 BFAB CN(CC(=O)O)Cc1cc(Cl)ccc1Cl 76561743 ATCFEBMADOJMFO-UHFFFAOYSA-N 248.109 2.510 0 40 BFAB CCc1[nH]c2c(C)cccc2c(=O)c1C 82449780 NNFHFABLIFQCKP-UHFFFAOYSA-N 201.269 2.707 0 40 BFAB CCCC[C@@H](CC)CNC(=O)NC1CC1 84742947 CRIWDJLJTGILCI-SNVBAGLBSA-N 212.337 2.664 0 40 BFAB C[C@H]1Cc2c(Br)cccc2[C@H]1O 86721618 ZNUYQILMSVDWLL-WKEGUHRASA-N 227.101 2.675 0 40 BFAB CCOC(=O)c1cccc2c(N)cccc12 89211696 DWQLFMSPKCZOPI-UHFFFAOYSA-N 215.252 2.599 0 40 BFAB O=C1[C@@H](SC2CCCCC2)CCN1C1CC1 89818469 YTSIZZXNEJZWGP-LBPRGKRZSA-N 239.384 2.816 0 40 BFAB Clc1ccc(CN2CCCC2)c(Cl)n1 90413668 UVOKFOBKTMCPNH-UHFFFAOYSA-N 231.126 2.984 0 40 BFAB Cc1ccc2c(c1)OC(F)(F)[C@H](F)O2 91252122 HQSIRNKIRHDECP-MRVPVSSYSA-N 204.147 2.655 0 40 BFAB COCCCCCN[C@H]1CCCC1(C)C 95421301 AGIGWBMSDIIWGC-LBPRGKRZSA-N 213.365 2.971 0 40 BFAB CC(=O)c1c[nH]c2cnc(Br)cc12 95698472 HSAJQORKGZAXOG-UHFFFAOYSA-N 239.072 2.528 0 40 BFAB C[C@H](N[C@@]1(C)CCOC1)c1ccccc1 97038585 APECCHLCVFWNHX-AAEUAGOBSA-N 205.301 2.516 0 40 BFAB CCn1c(C(=O)O)c(C)c2ccccc21 107840857 XBVRYGDMHIZAPW-UHFFFAOYSA-N 203.241 2.668 0 40 BFAB C=C[Si](C=C)(c1ccccc1)c1ccccc1 195760389 JRMHUZLFQVKRNB-UHFFFAOYSA-N 236.390 2.700 0 40 BFAB COCc1cccc(OC)c1Br 219701523 NXIHSRMJYQKOPD-UHFFFAOYSA-N 231.089 2.604 0 40 BFAB Cc1ncc(C(=O)Nc2ccc(C)c(C)c2)cn1 222587665 VLCTWXUBCMELOQ-UHFFFAOYSA-N 241.294 2.654 0 40 BFAB CCCNC(=O)c1cc(N)ccc1NC(C)(C)C 225454768 BQRCMKNJKGYCIH-UHFFFAOYSA-N 249.358 2.619 0 40 BFAB CC(C)CCOc1ccc(C=O)cc1C#N 232579098 UZDNMUZFGSDFQX-UHFFFAOYSA-N 217.268 2.796 0 40 BFAB Cc1c[nH]c([C@@H]2CCCN2Cc2cscn2)n1 257267615 MIBJQUORFWWBRI-NSHDSACASA-N 248.355 2.512 0 40 BFAB COC(=O)C[C@H]1COc2cc3ccccc3cc21 585656355 IUXIAXCJPBWLQC-LBPRGKRZSA-N 242.274 2.879 0 40 BFAB C[C@@H]1CC[C@@H](F)CN1C(=O)OC(C)(C)C 710673647 ZEQJYYLAFDMFAN-RKDXNWHRSA-N 217.284 2.744 0 40 BFAB Cc1ccc2[nH]c3c(c2c1)CCc1nonc1-3 102106 WLARJPCYRYGSOY-UHFFFAOYSA-N 225.251 2.625 0 40 BFAB O=c1cc(Cl)c2cccc3c2n1CCC3 160651 XYGCWJUXRWKBMI-UHFFFAOYSA-N 219.671 2.601 0 40 BFAB CCN[C@H]1C[C@@H](C(C)(C)NCC)CC=C1C 522754 KGDIPINWNMVFFO-STQMWFEESA-N 224.392 2.709 0 40 BFAB CCCOc1ccc(C(=O)CCC(=O)O)cc1 2144857 XYZVSEPTKOAAPV-UHFFFAOYSA-N 236.267 2.523 0 40 BFAB in-vitro CCCCC(=O)Nc1nnc(CC(C)C)s1 2491436 DENNOLAEJZJBFJ-UHFFFAOYSA-N 241.360 2.865 0 40 BFAB CCCC[C@@H](C(=O)O)[C@@H](CCCC)C(=O)O 2578787 BQNDPALRJDCXOY-NXEZZACHSA-N 230.304 2.768 0 40 BFAB CC(=O)c1ccc(-c2ccc(C(=O)O)o2)cc1 2654621 LDTWCUABWGGMNW-UHFFFAOYSA-N 230.219 2.847 0 40 BFAB in-vitro CC(=O)[C@@H]1CC[C@@H](c2ccccc2)CC1=O 3194812 JTWJDOHDQKMEDY-OLZOCXBDSA-N 216.280 2.728 0 40 BFAB Cn1cccc1C(=O)NCc1ccc(Cl)cc1 3339506 DJPYRDPSMYZPIH-UHFFFAOYSA-N 248.713 2.609 0 40 BFAB O=C(c1ccco1)N1CC(O)=Nc2ccccc21 3958692 MHLBWXVMZIFVDJ-UHFFFAOYSA-N 242.234 2.528 0 40 BFAB CC(C)[C@@H]1NN=C(c2ccccc2)S1 5727394 MBUIZBWTHRXRTL-SNVBAGLBSA-N 206.314 2.667 0 40 BFAB O=C(Nc1ccc(Cl)cc1F)[C@H]1CCCO1 6321137 UAHCXMMEQZCSHC-SNVBAGLBSA-N 243.665 2.597 0 40 BFAB Cc1cc(F)ccc1NC(=O)[C@H]1C[C@@H]1C 7751078 SWODGBCPTQQURE-XVKPBYJWSA-N 207.248 2.729 0 40 BFAB Cc1ccc(O[C@@H](C)C(=O)NC(C)C)c(C)c1 8493671 BHDMZIFRRLIOQX-LBPRGKRZSA-N 235.327 2.595 0 40 BFAB NCc1ccc(OCc2ccccc2F)cc1 11799449 SUQRFOCJBJMREX-UHFFFAOYSA-N 231.270 2.863 0 40 BFAB in-vitro Cc1nn(-c2ccccc2N)c(C)c1Cl 12395359 BCDKSCILSZUIBB-UHFFFAOYSA-N 221.691 2.725 0 40 BFAB COc1ccccc1NC(=O)N[C@@H](C)C(C)C 18176123 PQMMIUPKDLDHJF-JTQLQIEISA-N 236.315 2.861 0 40 BFAB CCC[C@H](C)C(=O)Nc1ccc(F)c(N)c1 20157410 IBBFSGYFDNLWHC-QMMMGPOBSA-N 224.279 2.783 0 40 BFAB CCOc1ccc(-c2nc(CO)cs2)cc1 21953173 BZJOOWLXRWPVKT-UHFFFAOYSA-N 235.308 2.701 0 40 BFAB in-vitro Nc1ccc(F)c(NC(=O)c2cccs2)c1 21954131 HWGUYVXRNCYRPB-UHFFFAOYSA-N 236.271 2.722 0 40 BFAB O=C(NC1CC1)N[C@H]1CCCc2ccccc21 32843686 WPDRPSHOYODIAB-ZDUSSCGKSA-N 230.311 2.526 0 40 BFAB Cc1[nH]c2ccc(Cl)cc2c(=O)c1C 33975471 KIOKPKGIQHTNSB-UHFFFAOYSA-N 207.660 2.798 0 40 BFAB Nc1scc2c1C(=O)c1ccccc1-2 34017080 HCMINZAWFOAAPS-UHFFFAOYSA-N 201.250 2.542 0 40 BFAB N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 37381634 BLWIIBGLWOGEQG-APPZFPTMSA-N 201.191 2.520 0 40 BFAB Cc1ccc(C(=O)c2ccccc2F)nc1 45028534 RLQKXSGPDWBSPW-UHFFFAOYSA-N 215.227 2.760 0 40 BFAB c1ccc2c(c1)ccn2C[C@H]1CCCNC1 58014626 ACVMPTGKYWZAMX-LBPRGKRZSA-N 214.312 2.641 0 40 BFAB CCCCCNC(=O)c1ccc2c(c1)COC2 64378646 IZPFUDZODNXXFU-UHFFFAOYSA-N 233.311 2.637 0 40 BFAB COc1cccc(-c2ccccn2)c1F 65372552 UGEXOBVHGMTWML-UHFFFAOYSA-N 203.216 2.896 0 40 BFAB Cc1ncc(C(F)(F)F)c(C(=O)O)c1Cl 71864039 XDEOMQZABRDQFL-UHFFFAOYSA-N 239.580 2.760 0 40 BFAB CC(C)COc1ccc(C2(C(N)=O)CCC2)cc1 71890149 QYINOUUNHGHNRL-UHFFFAOYSA-N 247.338 2.628 0 40 BFAB CC[C@H](O)c1ccc(N2CCCCCC2)nc1 72225470 SFYRMPKSQTWHEY-ZDUSSCGKSA-N 234.343 2.905 0 40 BFAB O=Cc1c(Cl)cnn1-c1ccc(Cl)cc1 72238824 OTXPMDPUEMANGI-UHFFFAOYSA-N 241.077 2.992 0 40 BFAB CCCCn1c(C(C)=O)cc(C=O)c1C 78404369 IMQBTWQTCDFUKQ-UHFFFAOYSA-N 207.273 2.612 0 40 BFAB CC(=O)c1cncc(-c2ccc(O)cc2)c1 82708701 UIIMRNZYQNFTGM-UHFFFAOYSA-N 213.236 2.657 0 40 BFAB Cc1ncccc1NC(=O)OC(C)(C)C 84192705 RQLNGFJNDOYANP-UHFFFAOYSA-N 208.261 2.737 0 40 BFAB in-vitro CCCCNCCC[C@@H](CCC)OC 85396266 QGLDJQJXHHLMPE-GFCCVEGCSA-N 201.354 2.971 0 40 BFAB COc1ccc2nc(C(=O)O)ccc2c1Cl 85399870 XRKRYDVZNZXGHX-UHFFFAOYSA-N 237.642 2.595 0 40 BFAB C[C@@H]1Cc2c(Br)cccc2[C@@H]1O 86721613 ZNUYQILMSVDWLL-LHLIQPBNSA-N 227.101 2.675 0 40 BFAB CC[C@H](N)COCc1ccc(OC(F)F)cc1 89263515 CUSUOTPUZSWAKA-JTQLQIEISA-N 245.269 2.542 0 40 BFAB Cc1cscc1C(=O)N1C[C@H]2CCC[C@@H]2C1 89708883 AYPOOWFLIWYPRZ-GHMZBOCLSA-N 235.352 2.929 0 40 BFAB O=c1[nH]c2cc(Br)cc(Cl)c2o1 95202004 PXVJXLQVOGNYMR-UHFFFAOYSA-N 248.463 2.537 0 40 BFAB Cc1nccn1-c1cccc(Br)c1 95915559 SSIPYNYMLFNPHD-UHFFFAOYSA-N 237.100 2.943 0 40 BFAB Cc1occc1S[C@H](C)C(=O)N(C)C(C)C 131305671 NUEYXPQAEGSWHU-SNVBAGLBSA-N 241.356 2.935 0 40 BFAB CCn1c(C)nnc1COc1cc(F)ccc1C 189506712 VKIHRNKGGFKBCZ-UHFFFAOYSA-N 249.289 2.633 0 40 BFAB COc1ccc(Cl)cc1N[C@@H]1CCC[C@H]1N 218880645 FRXLKWXWXMYKMW-NXEZZACHSA-N 240.734 2.640 0 40 BFAB CCCn1c(C)c(CN)c2cc(OC)ccc21 223755559 MRNDLYIRYNUSNC-UHFFFAOYSA-N 232.327 2.827 0 40 BFAB Cc1ccc(N)c2c1C(=O)c1ccccc1-2 225781067 NRFRCDADOYCEOW-UHFFFAOYSA-N 209.248 2.789 0 40 BFAB CCCNCCO[C@@H]1CC[C@]12CCC21CC1 242463790 DLJOSLRSVABURD-OCCSQVGLSA-N 223.360 2.725 0 40 BFAB Oc1nc(-c2ccc(F)cc2)cc(C(F)F)n1 390828993 VQTNMQAROJFDSM-UHFFFAOYSA-N 240.184 2.926 0 40 BFAB c1ccc(OCC2CC3(CCOCC3)C2)nc1 585655236 XYMLAPLHQODZQE-UHFFFAOYSA-N 233.311 2.667 0 40 BFAB CCOC(=O)/C=C(\C)P(OCC)OCC 627281303 INNQPPBXIGELQS-CMDGGOBGSA-N 234.232 2.838 0 40 BFAB FC(F)(F)c1cccc(N=c2cc[nH]cc2)n1 888107064 VKIKPRZNEVNTEH-UHFFFAOYSA-N 239.200 2.661 0 40 BFAB C[C@]1(O)c2ccccc2-c2ccccc2[C@]1(C)O 42735 PVSIBGSXKKPZNX-HOTGVXAUSA-N 240.302 2.782 0 40 BFAB CCOC(=O)c1ccc([C@@H](C)N(CC)CC)o1 182986 FCRBNULBWNHEMA-SNVBAGLBSA-N 239.315 2.859 0 40 BFAB Cc1cccc(C(=O)O[C@@H](C)CN2CCCC2)c1 210630 XWNMZXQEEFPOCT-ZDUSSCGKSA-N 247.338 2.636 0 40 BFAB CC(C)[C@H]1OC(=O)c2ccccc2S1 5458126 XGXAUAZUWFYZPB-NSHDSACASA-N 208.282 2.931 0 40 BFAB CC(=O)c1c(O)nc2cc(Cl)ccc2c1O 8581080 TYRYELYDRDPCOM-UHFFFAOYSA-N 237.642 2.502 0 40 BFAB Cc1cc(NC(=S)Nc2ccccc2)n(C)n1 10185421 LGRKPGWLKDOJPE-UHFFFAOYSA-N 246.339 2.537 0 40 BFAB S=c1[nH]c(C2CC2)nn1-c1ccccc1 13120717 HQFPFIJRKXJFRK-UHFFFAOYSA-N 217.297 2.807 0 40 BFAB in-vitro CCC[C@H](C)NC(=O)COc1cc(C)cc(C)c1 14399732 BIOUFGOALHOBQA-ZDUSSCGKSA-N 249.354 2.987 0 40 BFAB c1cnc2c(OCC3CCNCC3)cccc2c1 14631503 ZBXFVGVKQYRCCZ-UHFFFAOYSA-N 242.322 2.613 0 40 BFAB NN[C@@H](c1ccc(O)cc1)c1ccc(Cl)cc1 19262664 BCAWBWNZOZAEIR-CYBMUJFWSA-N 248.713 2.598 0 40 BFAB CN(Cc1ccccc1)C(=O)c1ccc(N)cc1 19274603 ZYULNQTYVKBFDV-UHFFFAOYSA-N 240.306 2.541 0 40 BFAB CCc1c(-c2ccc(Cl)cc2)n[nH]c1N 19688911 YQYSVHXHQRTGPZ-UHFFFAOYSA-N 221.691 2.875 0 40 BFAB CC(C)CCC(=O)Nc1cccc(C(=O)O)c1 20136721 CBSGFYFMNYYLTD-UHFFFAOYSA-N 235.283 2.760 0 40 BFAB CC(=O)CCc1c[nH]c2c(C)cccc12 20269287 ZCZKGJGBBKMYHV-UHFFFAOYSA-N 201.269 2.998 0 40 BFAB CC[C@@H](C)NC(=O)N[C@@H](C)c1ccccc1 20572991 IHVHLHIGUVSVPV-MNOVXSKESA-N 220.316 2.845 0 40 BFAB CC(C)c1ccccc1NC(=O)C1=COCCO1 23623337 RPZLJNVSGXPPLU-UHFFFAOYSA-N 247.294 2.637 0 40 BFAB CC(C)(C)C(=O)O[C@@H](N)/C=C/c1ccccc1 31872294 PDQVZGAHPRRODS-BZYZDCJZSA-N 233.311 2.574 0 40 BFAB CCc1ccc(-c2nc(CO)cs2)cc1 32013416 HMKOEXBFDQZHAB-UHFFFAOYSA-N 219.309 2.865 0 40 BFAB in-vitro COc1ccccc1C(=O)N(C)C1CCCC1 32845558 GUOUACJIQLJUPB-UHFFFAOYSA-N 233.311 2.710 0 40 BFAB c1ccc(OCCOCC[C@H]2CCCCN2)cc1 34972549 XUVFRPMCRJDHEL-CQSZACIVSA-N 249.354 2.614 0 40 BFAB CCCCCCNCCNC(C)(C)C 39712274 MCRAMOZALBUTQR-UHFFFAOYSA-N 200.370 2.544 0 40 BFAB CC[C@H]1c2ccsc2CCN1C(=O)C1CC1 40467704 LWWGJDQTSHLWIN-NSHDSACASA-N 235.352 2.994 0 40 BFAB Cc1cccc(NC(=O)CC[C@H]2CCCO2)c1 40505829 DWZKIKKPTXAVOK-CYBMUJFWSA-N 233.311 2.893 0 40 BFAB Cc1nc2c(Nc3ccc(F)cc3)ncnc2[nH]1 41120971 XDFKHONWZMFECZ-UHFFFAOYSA-N 243.245 2.544 0 40 BFAB CCCc1noc(CN2C[C@@H](C)C[C@@H](C)C2)n1 42623153 IIGWTZVQRHPJRX-PHIMTYICSA-N 237.347 2.500 0 40 BFAB NCc1ccc(OC(F)(F)F)c(Cl)c1 44248915 OVFDZNSGNUXERC-UHFFFAOYSA-N 225.597 2.697 0 40 BFAB in-vitro CCCNC(=O)Cc1cccc(C(F)(F)F)c1 44866074 HPUMHAQTVSJOCM-UHFFFAOYSA-N 245.244 2.774 0 40 BFAB Cc1noc(CN2CCc3sccc3[C@@H]2C)n1 44897044 GWGZTMSPLGHULF-QMMMGPOBSA-N 249.339 2.559 0 40 BFAB Cc1cc(Oc2ccccc2)ncc1N 77296790 ZZPYXYWRNLOBIX-UHFFFAOYSA-N 200.241 2.765 0 40 BFAB Cc1ccc([C@H](C)C(=O)N2CCCC2)s1 95963315 VXRFOXXFFBRENT-JTQLQIEISA-N 223.341 2.782 0 40 BFAB CC(=O)N1CCC2(CCc3cc(C)ccc32)CC1 96241724 XEBZMRJVPSUJLD-UHFFFAOYSA-N 243.350 2.821 0 40 BFAB NCCCCCN1CC=C(c2ccccc2)CC1 96523832 LPDQDALUYAEOSH-UHFFFAOYSA-N 244.382 2.905 0 40 BFAB O=C1c2ccccc2CC[C@H]1C(=O)C(F)(F)F 100404402 GGDMEHMCEGBLBB-SECBINFHSA-N 242.196 2.563 0 40 BFAB FN(F)Cc1ccc(CN(F)F)cc1 116007836 RRVDUCCXIKTCTC-UHFFFAOYSA-N 208.158 2.829 0 40 BFAB Cc1cc(COc2ccc(F)cc2F)no1 149502961 MVIWRKJBOUMNAF-UHFFFAOYSA-N 225.194 2.840 0 40 BFAB CCCc1ccc(C(=O)[C@H]2C[C@@H]2C(=O)O)cc1 217816751 UEOJTNJBQSCQEY-RYUDHWBXSA-N 232.279 2.543 0 40 BFAB CCc1ccccc1-n1cccc1C(=O)OC 223733276 BQKHIELIPMOPSQ-UHFFFAOYSA-N 229.279 2.826 0 40 BFAB C[C@H](Cc1ccccc1F)N[C@@H]1C[C@H]2CC[C@H]1O2 225435264 OIQQRBLZXDRNPW-PZTHBURQSA-N 249.329 2.666 0 40 BFAB CC1(C)Cc2ccccc2C(SCC(=O)O)=N1 225747224 UHBINWWGUGGMDZ-UHFFFAOYSA-N 249.335 2.586 0 40 BFAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)c1cccn1C 245237491 KWPRIPGEVQVWIX-GRYCIOLGSA-N 234.343 2.580 0 40 BFAB CC1=CCC[C@H](C)[C@@H]1CN[C@@H](C)[C@H]1CCOC1 252570840 XJZQFBHGFODYRN-ZQDZILKHSA-N 237.387 2.993 0 40 BFAB Cc1nnc(OC2CCC2)c2ccccc12 585651226 BDHWQKZKKXAALX-UHFFFAOYSA-N 214.268 2.870 0 40 BFAB CCOC(=O)[C@@H](Cc1ccccc1)n1cccc1 1422312 LQEKDQAYDWEVSS-CQSZACIVSA-N 243.306 2.835 0 40 BFAB CCOC(=O)[C@@]1(C/C=C(/C)Cl)CCCC1=O 1630015 VIWRVBZAJJBCCD-OJIASSBASA-N 244.718 2.822 0 40 BFAB Cc1cccc(Nc2cc(Cl)nc(N)n2)c1 1682339 BCGYNGLUWVZYJX-UHFFFAOYSA-N 234.690 2.764 0 40 BFAB CC(=O)Oc1ccc2c(c1)Cc1cc(N)ccc1-2 1690480 MXPLOYKHBZQMFU-UHFFFAOYSA-N 239.274 2.765 0 40 BFAB N=C(NCc1ccccc1)c1ccccc1 1718391 QZARWWZWTPDHPY-UHFFFAOYSA-N 210.280 2.802 0 40 BFAB in-vitro,metabolite CC[C@H](C)NCc1nnc(-c2ccccc2)o1 2649503 QUPLXBPISBXUPA-JTQLQIEISA-N 231.299 2.625 0 40 BFAB CC(C)(C)C(=O)Nc1nnc(-c2ccccc2)o1 4276192 SGSOOYYBPOAMNA-UHFFFAOYSA-N 245.282 2.721 0 40 BFAB Nc1cccc(CN2CCCCCC2)c1 4384346 DJKWTOURZHLMTC-UHFFFAOYSA-N 204.317 2.645 0 40 BFAB CCN(CC)C[C@@H](O)c1c[nH]c2ccccc12 5215633 HDTIJEQXZDFVTJ-CQSZACIVSA-N 232.327 2.543 0 40 BFAB biogenic CCNC(=O)[C@@H](C)Oc1cccc2ccccc12 8291456 ZYSGLIDSUFDSLC-LLVKDONJSA-N 243.306 2.743 0 40 BFAB CCNC(=S)Nc1ccc(C)c(Cl)c1 8684154 KUKNMQKLVUYWTG-UHFFFAOYSA-N 228.748 2.955 0 40 BFAB C[C@@H]1C[C@@H]1C(=O)Nc1ccccc1OC(F)F 9726540 FBVJRBSAWHBLCJ-SFYZADRCSA-N 241.237 2.883 0 40 BFAB Cc1cnc(NC(=O)C[C@H]2C=CCC2)s1 10624698 JLVRWWIILDGSET-VIFPVBQESA-N 222.313 2.746 0 40 BFAB Cn1ccc(NC(=O)CCC2CCCCC2)n1 13006569 ALNZPRPVPMIYOH-UHFFFAOYSA-N 235.331 2.719 0 40 BFAB Cc1ccc(C(=O)Nc2cc(F)cc(F)c2)cn1 22472430 DAEDPSBGMKEPOC-UHFFFAOYSA-N 248.232 2.921 0 40 BFAB CCOc1ncccc1NC(=O)C1CCCC1 27587295 AAIUERCVNARPTK-UHFFFAOYSA-N 234.299 2.609 0 40 BFAB O=C(c1ccc(F)cc1F)N1CCCCC1 28210716 SOEDGDNMMJFFHF-UHFFFAOYSA-N 225.238 2.591 0 40 BFAB O=C(C[C@H]1C=CCC1)NC1CCCCC1 32747694 OCPOQHORHNZXEZ-NSHDSACASA-N 207.317 2.792 0 40 BFAB CC1CCC(N(C)C(=O)c2ccco2)CC1 32819178 DKCJYFXMLKJQJW-UHFFFAOYSA-N 221.300 2.930 0 40 BFAB CN(Cc1ccc(F)cc1)C(=O)C1CCCC1 32967356 ZJQSMCRHOXMIRX-UHFFFAOYSA-N 235.302 2.974 0 40 BFAB CCOC(=O)c1cc2oc(Cl)cc2[nH]1 33414760 BSIIENSVDCHCBF-UHFFFAOYSA-N 213.620 2.591 0 40 BFAB CC[C@H](C)C(=O)c1ccc(C(=O)OC)cc1 35976127 CQMUAECNQVKYGB-VIFPVBQESA-N 220.268 2.702 0 40 BFAB Nc1ccc(NCc2cccs2)c(C(=O)O)c1 37930805 MPJZWPJGIKXUBM-UHFFFAOYSA-N 248.307 2.641 0 40 BFAB O[C@@H]1CCCC[C@@H]1OCc1ccccc1 38435230 OZOOGFVOCPMNTN-OLZOCXBDSA-N 206.285 2.507 0 40 BFAB c1ccc(-c2nnc(C3CCNCC3)s2)cc1 40541852 YTIOCLLPEIHASM-UHFFFAOYSA-N 245.351 2.672 0 40 BFAB FC(F)(F)c1cccc(C[C@H]2CCCN2)c1 41251039 OUAAXGWXYJOVSN-LLVKDONJSA-N 229.245 3.000 0 40 BFAB in-vitro CCN(CC)C(=O)Nc1ccc([C@@H](C)N)cc1 41639407 GTGZYJOIUCMUQC-SNVBAGLBSA-N 235.331 2.580 0 40 BFAB in-vitro CCOC(=O)c1cc(F)c(Cl)c(F)c1 43503455 JLZWZJCSRGMVQU-UHFFFAOYSA-N 220.602 2.795 0 40 BFAB Cc1ccc(CN2CCCC[C@H]2CN)c(C)c1 44539862 URFWSELDVWMLBS-HNNXBMFYSA-N 232.371 2.617 0 40 BFAB CCOC(=O)c1cnn(CC(C)C)c1C(F)F 63126173 FGCFMJDQDPWQMW-UHFFFAOYSA-N 246.257 2.653 0 40 BFAB O=C(Cc1ccccc1)NCCc1cccs1 70752116 RILSDBRDIYIROS-UHFFFAOYSA-N 245.347 2.650 0 40 BFAB Cc1nnc(C2CCN(c3ccccc3)CC2)o1 72187606 JICFSJRFIDTBLX-UHFFFAOYSA-N 243.310 2.762 0 40 BFAB CCOc1ncccc1[C@H]1CCCCN1C(C)=O 72211874 VADZPLFONQMBMC-CYBMUJFWSA-N 248.326 2.554 0 40 BFAB CSc1ccc([C@@H]2CCCCN2)cn1 72216893 JTMBFEGVALICMX-JTQLQIEISA-N 208.330 2.618 0 40 BFAB C[C@H]1CCc2ccccc2N1C(=O)[C@@H]1CCCO1 72495974 KUCSYKALFJGRFM-FZMZJTMJSA-N 245.322 2.533 0 40 BFAB CS/C=C/C(=O)N(C)[C@H](C)c1ccco1 75107581 WZYQEFOBYBZVEP-BNICOGTQSA-N 225.313 2.676 0 40 BFAB CC(C)(C)OC(=O)Nc1ccncc1S 79052336 MKRKOWOVJQNWSY-UHFFFAOYSA-N 226.301 2.717 0 40 BFAB C[C@@H](N)c1ncc(Br)cc1Cl 83428646 DOVCFQCAVQSKQC-SCSAIBSYSA-N 235.512 2.517 0 40 BFAB CC(C)Nc1ccc(-n2cncn2)c(Cl)c1 84620709 MVKDIULCOQXYFC-UHFFFAOYSA-N 236.706 2.741 0 40 BFAB CCc1n[nH]c(NCc2nc(C)cs2)c1C 89280099 FHVGMFXLAFULST-UHFFFAOYSA-N 236.344 2.658 0 40 BFAB Clc1ccc(SCc2cscn2)nn1 89794330 WBGYSPVCMQUTLJ-UHFFFAOYSA-N 243.744 2.879 0 40 BFAB O=C1CCc2c1cnn2C1CCCCC1 95098082 ZJRZEZDASQTTNF-UHFFFAOYSA-N 204.273 2.517 0 40 BFAB O=C(Nc1ncccc1F)c1cccc(F)c1 95440931 MPMSFGIPEJDGLT-UHFFFAOYSA-N 234.205 2.612 0 40 BFAB CN1CCc2c(F)cc(Br)cc2C1 95917738 LQQWAQYOPRNUHI-UHFFFAOYSA-N 244.107 2.576 0 40 BFAB in-vitro O=C(OCc1c(F)cccc1F)c1ccccn1 97049140 OQMCSENQHBJMSA-UHFFFAOYSA-N 249.216 2.717 0 40 BFAB CC1=CCC[C@H](C)[C@H]1CNCCCn1ccnc1 97098617 MVTCVCZOEUQRPU-GJZGRUSLSA-N 247.386 2.855 0 40 BFAB O=C(O)n1ccc2nc3ccccc3c-2c1 100021192 VOSSIGOPQKPUIJ-UHFFFAOYSA-N 212.208 2.667 0 40 BFAB O=c1[nH]c2ccccc2c(O)c1-c1ccccc1 100258164 WNISVGSZMGXKHE-UHFFFAOYSA-N 237.258 2.901 0 40 BFAB in-vivo CCC(=O)NCc1cccc(CSC)c1 189485365 LZDGGBRZKAQZAX-UHFFFAOYSA-N 223.341 2.576 0 40 BFAB CCO[C@@H](Cc1cc(Cl)ccc1C)C(=O)O 225078527 ZHPBXHXEMWSYTG-NSHDSACASA-N 242.702 2.681 0 40 BFAB CCn1c(CNC2CC2)ccc1Cc1ccco1 226021641 FUVOLSFKLRXVIZ-UHFFFAOYSA-N 244.338 2.944 0 40 BFAB Cc1cc(Sc2nccn2C)nc(C2CC2)n1 264666523 SJXNJQKYWHEUPL-UHFFFAOYSA-N 246.339 2.547 0 40 BFAB Cc1cc2cccc(Br)c2c(=O)o1 725326083 SBDNLVFNSOLGPS-UHFFFAOYSA-N 239.068 2.864 0 40 BFAB C[C@@H]1CN=C(Nc2cccc(F)c2)S1 86374 HACQCQBZFCWXOT-SSDOTTSWSA-N 210.277 2.729 0 40 BFAB C[C@H]1C[C@@H](OC(=O)c2ccccc2)CCC1=O 1704109 MFLPVUSCYWWBBD-JQWIXIFHSA-N 232.279 2.601 0 40 BFAB O=C1O[C@H]2CCCC[C@@H]2[C@H]1c1ccccc1 4720842 NHZLOUXGQVISND-RWMBFGLXSA-N 216.280 2.886 0 40 BFAB CC(C)N[C@@H]1CCC[C@H]2c3ccccc3[C@@]21O 5962970 BBVGKEUPIYFHFC-RRFJBIMHSA-N 231.339 2.522 0 40 BFAB COc1c2ccoc2cc2cc(C)oc(=O)c12 6070482 BUZQIMYNOWPYHH-UHFFFAOYSA-N 230.219 2.856 0 40 BFAB endogenous,in-man CCCCCOc1ccccc1C(=O)O 7261547 CNCMJNMYQXOHNN-UHFFFAOYSA-N 208.257 2.954 0 40 BFAB CCC(=O)Nc1ccc(F)cc1Cl 8719541 BPDVBPKRTUCFQS-UHFFFAOYSA-N 201.628 2.828 0 40 BFAB CN(C)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 13810893 OIDHBPAONDJGMN-ZWNOBZJWSA-N 224.348 2.569 0 40 BFAB Nc1cc(NC(=O)Cc2ccccc2)ccc1F 19275872 CEMQPDYJVLMSMS-UHFFFAOYSA-N 244.269 2.589 0 40 BFAB Cc1cc(C(=O)N2[C@@H](C)CCC[C@@H]2C)ccc1N 22163449 DYUDATXXRCFYNT-RYUDHWBXSA-N 246.354 2.980 0 40 BFAB N[C@H]1CCN(Cc2ccc(Cl)c(Cl)c2)C1 22942145 KHSDVPAAMUJDFE-VIFPVBQESA-N 245.153 2.526 0 40 BFAB CSCC(=O)N1CCC[C@@H]2CCCC[C@H]21 32819592 LNNPJHCRDUFQKP-WDEREUQCSA-N 227.373 2.531 0 40 BFAB Cc1ccc(-c2nsc(S)n2)cc1 34144114 MHNHCQORCOGCHT-UHFFFAOYSA-N 208.311 2.802 0 40 BFAB Cc1ccc(N[C@@H]2CCCC[C@H]2O)cc1 37691298 JTCBCGKEWZZVIP-CHWSQXEVSA-N 205.301 2.710 0 40 BFAB Nc1cc(C(=O)O)ccc1Oc1ccccc1 37933405 BBCRLBBRTVEVSP-UHFFFAOYSA-N 229.235 2.759 0 40 BFAB in-vitro CCc1c(C)[nH]c2c(F)cccc2c1=O 38005093 WYYXDNJMHQSPCQ-UHFFFAOYSA-N 205.232 2.538 0 40 BFAB CS[C@H](C)C(=O)Nc1ccc(C)c(F)c1 42814821 FSNKRZAOVXADMR-MRVPVSSYSA-N 227.304 2.824 0 40 BFAB Cc1cccc(C(=O)[C@H]2CC[C@@H](C(=O)O)C2)c1C 43878979 RDGCSSDHDHTWDY-NWDGAFQWSA-N 246.306 2.987 0 40 BFAB C[C@H]1CCCCN1C(=O)CSC(F)(F)F 44918105 ULLJSJNEEMKWTC-ZETCQYMHSA-N 241.278 2.640 0 40 BFAB CCCNC(=O)CSc1ccc(Cl)cc1 49535253 NGODCPVDWKDXOD-UHFFFAOYSA-N 243.759 2.958 0 40 BFAB CC(C)[C@H](C)N(Cc1nc(C2CC2)no1)C1CC1 57996593 FQRVYNJVXGBWLU-JTQLQIEISA-N 249.358 2.956 0 40 BFAB c1cc(NC2CCC2)ncc1C1=NCCC1 72213819 KMFVNUSHIVDSTK-UHFFFAOYSA-N 215.300 2.629 0 40 BFAB CCCNc1cc(C)c([C@H](N)CC)cn1 72223215 BPRFWKNDRMFCLH-LLVKDONJSA-N 207.321 2.622 0 40 BFAB Cc1scc(C(=O)O)c1Br 82326512 NZBGXKKTSGFSIY-UHFFFAOYSA-N 221.075 2.517 0 40 BFAB CC(C)(c1ccccc1)[C@@H](O)C(F)(F)F 88613813 XZILUZJKXAMLBD-SECBINFHSA-N 218.218 2.887 0 40 BFAB in-vitro CC[C@@H](N)COCc1ccccc1OC(F)F 89262714 CWRROIPRJWBYJG-SNVBAGLBSA-N 245.269 2.542 0 40 BFAB CC[C@H](c1ccccc1)[S@](=O)CCCOC 95411034 LPUAGHXCLJHSTB-CJNGLKHVSA-N 240.368 2.923 0 40 BFAB CCc1nsc(SCc2ncc(C)o2)n1 95414735 PFYZAOXOEVXYDP-UHFFFAOYSA-N 241.341 2.689 0 40 BFAB Fc1ccc(CN[C@H]2CCCc3c[nH]nc32)cc1 95967400 KFXRDPOQZPMULW-ZDUSSCGKSA-N 245.301 2.716 0 40 BFAB C[C@@H](NCCC(C)(C)O)c1ccc(F)c(F)c1 95984261 PTJXVMKXRYNXEK-SECBINFHSA-N 243.297 2.776 0 40 BFAB C1CCC(CCN2CCN(CC3CC3)CC2)C1 96424154 YCISIBNFLATJAE-UHFFFAOYSA-N 236.403 2.594 0 40 BFAB CC(C)c1ccsc1C(=O)Nc1cnccn1 97379855 JLAIUZRJBIRODJ-UHFFFAOYSA-N 247.323 2.914 0 40 BFAB COc1ccc(OC)c2c1[C@H]1CC[C@H]2[C@H](O)[C@@H]1C 104928438 PBLXHRFSCYJJPB-DRNSDYETSA-N 248.322 2.675 0 40 BFAB Fc1ccccc1-c1n[nH]c2c1[C@H]1CC[C@H](C2)N1 110751212 HKCCHYYEYIUSMH-LDYMZIIASA-N 243.285 2.565 0 40 BFAB C[C@]12CCN(Cc3ccccc3Cl)C[C@@H]1O2 242463922 DQMUCOLXAAYBQX-STQMWFEESA-N 237.730 2.703 0 40 BFAB CCCC(=O)Nc1cccc(C(=O)OCC)c1 363977 ISNIFNUDOSDFOY-UHFFFAOYSA-N 235.283 2.602 0 40 BFAB C[C@H](COc1ccc(C(C)(C)C)cc1)OC=O 1583920 KDBPKSODRSKKGX-LLVKDONJSA-N 236.311 2.924 0 40 BFAB CC(C)OC(=S)S[C@H]1CCCCC1=O 2035084 ZNJQQCUOZNPDSK-VIFPVBQESA-N 232.370 2.941 0 40 BFAB CCNC(=O)Cc1cccc2ccccc12 4110391 FXWOACKMLDZSQC-UHFFFAOYSA-N 213.280 2.518 0 40 BFAB Cc1cc(C)n(C(=O)/C=C/c2ccc(F)cc2)n1 4263694 TYBBZRMIEDZJDD-VMPITWQZSA-N 244.269 2.993 0 40 BFAB CC1=CO[C@](C)([C@H]2NC(C)(C)C[C@@H](C)O2)CC1 4705821 VRXXEZCAJXPBHD-DYEKYZERSA-N 239.359 2.962 0 40 BFAB Cc1cc(C)[n+](OCc2ccccc2)c(C)c1 5378630 DOIOZZUIWNGMQE-UHFFFAOYSA-N 228.315 2.528 0 40 BFAB COc1ccc(CNC(C)(C)C)cc1OC 5379658 VUWXFJHAUJMSIF-UHFFFAOYSA-N 223.316 2.592 0 40 BFAB COc1ccc(CNC(C)=O)c(C(C)(C)C)c1 5383084 QYIMOAYWABGTLY-UHFFFAOYSA-N 235.327 2.629 0 40 BFAB CCOC(=O)[C@H]1CCCN(C2CCCCC2)C1 9434364 KVCAQRLJQHDVIX-LBPRGKRZSA-N 239.359 2.594 0 40 BFAB c1ccc(COCC[C@H]2CCCNC2)cc1 14632353 QBESGRLEWGZRJQ-CYBMUJFWSA-N 219.328 2.593 0 40 BFAB Cc1cnc(C(=O)NC2CCCCCCC2)cn1 16469997 QZFAEXYCSPTJKU-UHFFFAOYSA-N 247.342 2.628 0 40 BFAB Oc1ncnc2c1oc1ccc(Cl)cc12 18324709 QNZJDYVERIAXAI-UHFFFAOYSA-N 220.615 2.735 0 40 BFAB CCC(C)(C)NCC(=O)Nc1ccc(C)cc1 20036055 FXLAHGWKMXRYFV-UHFFFAOYSA-N 234.343 2.712 0 40 BFAB O=C(c1cccc2cccnc12)N1CCCCC1 22501257 DDSZRMYGSDXDHK-UHFFFAOYSA-N 240.306 2.861 0 40 BFAB CN[C@@H](CN1CCCC1)c1c[nH]c2ccccc12 22927770 LZHMELKNPUGVRV-HNNXBMFYSA-N 243.354 2.524 0 40 BFAB O[C@@H](Cc1nc2ccccc2[nH]1)c1cccs1 24060102 VVNWMABUIGWULI-NSHDSACASA-N 244.319 2.901 0 40 BFAB COCc1cccc(NC(=O)c2ccco2)c1 25334825 WLAAICFIMVLETH-UHFFFAOYSA-N 231.251 2.678 0 40 BFAB O=C(NCC1CC1)C1(c2ccccc2)CCC1 27469498 BMOSJCIMDKTWFR-UHFFFAOYSA-N 229.323 2.635 0 40 BFAB CC(C)N(CC(=O)O)Cc1ccccc1Cl 32099981 BUKYRABPKUDBPC-UHFFFAOYSA-N 241.718 2.635 0 40 BFAB CC(C)(C)c1ccc(-c2nonc2N)cc1 32624348 UFSSPPRVCVWFIS-UHFFFAOYSA-N 217.272 2.616 0 40 BFAB C[C@H]1C[C@@H](C)CN(C(=O)CCc2cccnc2)C1 32747735 VEWWSQCROMDKAF-BETUJISGSA-N 246.354 2.519 0 40 BFAB CCOCCN[C@H](C)c1cccc(F)c1 35151240 HZCVMBUYWHXSIP-SNVBAGLBSA-N 211.280 2.513 0 40 BFAB CC[C@H](C)[C@@H](N)CN1CC[C@@H]2CCCC[C@@H]2C1 36810178 KKIVHKXLMQQSPC-XQLPTFJDSA-N 238.419 2.872 0 40 BFAB CC(C)n1c(CCC(=O)O)nc2ccccc21 36895863 UBPOIEQJXKBXOG-UHFFFAOYSA-N 232.283 2.634 0 40 BFAB C[C@@H](N)Cc1cccc(OC2CCCC2)c1 37726439 OGMZSNJAKOTLKY-LLVKDONJSA-N 219.328 2.898 0 40 BFAB in-vitro C=CC(=O)N1CCC[C@@H]1c1ccccc1C 37832555 OFDVLVACXJSOFI-CYBMUJFWSA-N 215.296 2.845 0 40 BFAB CCN(CCN)Cc1ccc(Cl)cc1Cl 39318906 ILJDKKLFVQFTHI-UHFFFAOYSA-N 247.169 2.774 0 40 BFAB CC(C)(Cc1ccccc1Cl)C(=O)O 41226472 GKXMBQPGSRWDDJ-UHFFFAOYSA-N 212.676 2.993 0 40 BFAB CC(C)CCNC(=O)C1(c2ccccc2)CC1 41510108 LQFRBNNATKTMKU-UHFFFAOYSA-N 231.339 2.881 0 40 BFAB CCc1ccc(C(=O)c2ccccn2)cc1 43210479 MFTVIHHMLWPCOO-UHFFFAOYSA-N 211.264 2.875 0 40 BFAB CCC(=O)Nc1cc(C)nn1Cc1ccccc1 48314899 LUAKEKRWDUJZCD-UHFFFAOYSA-N 243.310 2.588 0 40 BFAB CO[C@@H]1CCC[C@H]1Nc1nc2ccccc2o1 50374446 YXBZSSBEBHGDHY-MWLCHTKSSA-N 232.283 2.807 0 40 BFAB COCCCN1CCC[C@H]1c1ccc(F)cc1 51375680 UYVOJSXEYLUUGU-AWEZNQCLSA-N 237.318 2.999 0 40 BFAB Nc1cc(F)ccc1C(=O)Nc1ccc(F)cc1 59931737 PXGBCWGCDIHLIJ-UHFFFAOYSA-N 248.232 2.799 0 40 BFAB CC(=O)Nc1cccc(-c2ncc(C)o2)c1 66809252 GGXTYJPIAJIUNQ-UHFFFAOYSA-N 216.240 2.608 0 40 BFAB C[C@@H]1CCc2ccccc2N1C(=O)[C@@H]1CCCO1 72495973 KUCSYKALFJGRFM-RISCZKNCSA-N 245.322 2.533 0 40 BFAB C/C(=C\C(=O)N1CCO[C@H]2CCCC[C@H]21)C1CC1 89262194 WWXCVJMHLPVYGK-ZICGXABRSA-N 249.354 2.513 0 40 BFAB CC1(NC(=O)[C@H]2CC2(C)C)Cc2ccccc2C1 92593923 JQTGXKGXZCQODR-CYBMUJFWSA-N 243.350 2.706 0 40 BFAB CC(C)=C(F)C(=O)O[C@@H](C)c1cccnc1 95452015 SUQZQMQQYNSRRO-VIFPVBQESA-N 223.247 2.949 0 40 BFAB COc1ccc([C@H](O)O[C@H]2C[C@H]3C=C[C@H]2C3)cc1 104189081 REYIVYQWCBKMPL-HQRZJTNHSA-N 246.306 2.667 0 40 BFAB C/C=C/C=C/C(=O)N[C@@H]1CCC[C@@H]1SCC 104206844 ZOZDWJYAVDBLRD-HHEBQIQXSA-N 239.384 2.909 0 40 BFAB Cc1c(Br)cccc1C1OCCO1 107767601 ATJMEJFNAXLLED-UHFFFAOYSA-N 243.100 2.803 0 40 BFAB CCCCNC(=O)[C@H](C)Oc1ccc(C)c(C)c1 113960074 VCCGNWUAVLLJEJ-ZDUSSCGKSA-N 249.354 2.987 0 40 BFAB Cc1ccc(SC(F)(F)CN)cc1 131749710 CYAWGUCUUGKTDQ-UHFFFAOYSA-N 203.257 2.639 0 40 BFAB CCOC(=O)/C=C1/CCCc2ccccc21 146106033 SORDZZGVEVKHSU-BENRWUELSA-N 216.280 2.969 0 40 BFAB Cc1oncc1CN1CCc2ccccc2C1 185147048 VFWPHSVXYREUQY-UHFFFAOYSA-N 228.295 2.541 0 40 BFAB Cc1ccc(N[C@@H]2CCC[C@H]2N)cc1C 218876571 VPIWXOZLZXIZAG-CHWSQXEVSA-N 204.317 2.595 0 40 BFAB O=C1Nc2ccc(Br)cc2[C@H]2C[C@H]12 225812142 IZNQQPFXDKFDOD-SVRRBLITSA-N 238.084 2.505 0 40 BFAB Clc1c(Br)ccc2cn[nH]c12 238558653 YZVKLYIQWYWMTA-UHFFFAOYSA-N 231.480 2.979 0 40 BFAB COC(=O)c1cc2cn(C3CC3)cc2s1 585362087 DQKJIMJZXVDVEN-UHFFFAOYSA-N 221.281 2.824 0 40 BFAB CCc1cccc(N)c1N1CCCCC1 1772715045 OWIAREMLXMDNKX-UHFFFAOYSA-N 204.317 2.822 0 40 BFAB CCOC(=O)CCc1c[nH]c2cc(OC)ccc12 1857793193 DNKPQXUOSIVMMK-UHFFFAOYSA-N 247.294 2.672 0 40 BFAB O=C(Nc1ccc(F)c(F)c1)c1ccco1 183735 MBOYTMAGCRFFIR-UHFFFAOYSA-N 223.178 2.810 0 40 BFAB C[C@H](NC(=O)C(C)(C)C)c1nc2ccccc2[nH]1 200910 SZSOLHZRDPYEOA-VIFPVBQESA-N 245.326 2.786 0 40 BFAB Cc1ccccc1N1C(=O)CC2(CCCC2)C1=O 1565508 TZLJOXRJBNALRH-UHFFFAOYSA-N 243.306 2.819 0 40 BFAB C/C=C/C(=O)N(CC)c1cccc(C)c1 1718792 DAETVMPIUYVYJI-QPJJXVBHSA-N 203.285 2.924 0 40 BFAB C[C@H]1CN(CCc2ccccc2)[C@@H](C)CC1=O 4831875 OCHGEROFEPMAMC-STQMWFEESA-N 231.339 2.529 0 40 BFAB O=C(NO)Nc1cc(Cl)cc(Cl)c1 5485959 JUKKJLQDPDFSDK-UHFFFAOYSA-N 221.043 2.504 0 40 BFAB CCCNC(=O)NC1CCCCCCC1 6725493 OIVKKCXSILPNLD-UHFFFAOYSA-N 212.337 2.809 0 40 BFAB Cc1cc(C(=O)NCc2ccccc2)ccc1N 19268189 BKFMCPYOWNFUER-UHFFFAOYSA-N 240.306 2.507 0 40 BFAB CCOC(=O)COc1ccccc1C(F)(F)F 20362154 WDQAJAMMQHUEOY-UHFFFAOYSA-N 248.200 2.647 0 40 BFAB O=C(NCc1ccco1)C1(c2ccccc2)CC1 23239191 PFYRKLDQYWXPSP-UHFFFAOYSA-N 241.290 2.628 0 40 BFAB Cc1cc(Br)cc2c(=O)cc[nH]c12 35731123 OLUYDTPGXGNMEB-UHFFFAOYSA-N 238.084 2.599 0 40 BFAB in-vitro CC(C)n1c(CN)nc2cc(Cl)ccc21 37440626 BBOFUDLVKVVIEZ-UHFFFAOYSA-N 223.707 2.729 0 40 BFAB O=C(c1ccccn1)c1cccc(F)c1F 43210488 YVZQUCBAZNWYNK-UHFFFAOYSA-N 219.190 2.591 0 40 BFAB CCCCC(=O)N(C)Cc1ccc(OC)cc1 44818925 LMEBZRWXCSTPBI-UHFFFAOYSA-N 235.327 2.844 0 40 BFAB CCOC(=O)c1c[nH]c2cccc(C)c12 47202915 UYOGKIFAIOYYQL-UHFFFAOYSA-N 203.241 2.653 0 40 BFAB NC(=O)c1cccc(COc2ccccc2F)c1 47438540 VITQGVMUOHMLLS-UHFFFAOYSA-N 245.253 2.504 0 40 BFAB COc1c(Cc2ccccc2)cccc1C(=O)O 57352743 KRRMXIOFGWSTRR-UHFFFAOYSA-N 242.274 2.984 0 40 BFAB CC(C)c1nc(CCNc2ccc(F)cc2)n[nH]1 62718994 CUYHSHWOGVRDLM-UHFFFAOYSA-N 248.305 2.722 0 40 BFAB CC(C)(C)CC(=O)Nc1ccc(F)cn1 69666088 NIGFKCFZPPWEPD-UHFFFAOYSA-N 210.252 2.595 0 40 BFAB Cc1ccc(C)c(CS[C@H]2CCOC2=O)c1 69811821 WHBPWEDRHOTHOU-LBPRGKRZSA-N 236.336 2.852 0 40 BFAB C/C(=C/c1ccccc1)CNCCn1cccn1 69946715 SOMIHJVLPJJXJE-OWBHPGMISA-N 241.338 2.576 0 40 BFAB CC(=O)N1CCC[C@H]1c1ccc2ncccc2c1 72221781 MXAJHMBRAGFWSL-HNNXBMFYSA-N 240.306 2.918 0 40 BFAB CC[C@H](N)c1ccc(NC(C)(C)C)nc1 72225837 BXDYBZNKINEUEH-JTQLQIEISA-N 207.321 2.702 0 40 BFAB COC(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 73195365 VIYVAZNTNNNMHS-DTWKUNHWSA-N 244.212 2.982 0 40 BFAB Cc1ccc(NC(=O)C2CCN(C)CC2)cc1C 74713318 LHFQDAYSUCQIOD-UHFFFAOYSA-N 246.354 2.584 0 40 BFAB Cc1csc(COC(=O)[C@@H]2CC=CCC2)n1 78949360 HGTCZOLCEHMNHD-SNVBAGLBSA-N 237.324 2.851 0 40 BFAB CC1(C)OC(=O)c2ccc(Br)cc21 88190218 JYFGZJHNKDPESK-UHFFFAOYSA-N 241.084 2.855 0 40 BFAB Cc1c[nH]c2ccc(Br)nc12 95644172 MGNGHCMPLPOEFA-UHFFFAOYSA-N 211.062 2.634 0 40 BFAB CC(C)[C@](C)(O)c1ccccc1N(C)C 95739292 SNZNEDMYAYCQMF-ZDUSSCGKSA-N 207.317 2.616 0 40 BFAB CC/C=C(\C)C(=O)N[C@H](C)Cc1ccco1 101395778 LFOFZKBLJQIFMX-CDCCAWJDSA-N 221.300 2.683 0 40 BFAB Cc1ccc([C@H](O)c2ccccc2)cc1N 142487534 PELSZLADMCRZPN-CQSZACIVSA-N 213.280 2.659 0 40 BFAB CC[C@@H](CC(=O)N(C)C)c1ccc(C)cc1 155591196 LRTHOBWZFUBNGQ-LBPRGKRZSA-N 219.328 2.967 0 40 BFAB Cc1nnsc1CN1Cc2ccccc2[C@@H]1C 566302126 SHRNQZAAOAVRTJ-JTQLQIEISA-N 245.351 2.923 0 40 BFAB Cc1nc(N)nc(Cl)c1Cc1ccccc1 336504 NUGQOZJAWOOGSB-UHFFFAOYSA-N 233.702 2.611 0 40 BFAB biogenic CCC(=O)[C@H](C)C(=O)N(CC(C)C)CC(C)C 1662623 FGDPRWSZCPRNTE-LBPRGKRZSA-N 241.375 2.742 0 40 BFAB Cc1ccn2c(-c3ccccc3)nnc2c1 1719298 CZUBKGQONFUNHY-UHFFFAOYSA-N 209.252 2.705 0 40 BFAB CCCCCC(=O)CCCC(=O)OCC 2379056 ZAHUTEIIIFGYHV-UHFFFAOYSA-N 214.305 2.869 0 40 BFAB CCOc1ccc(CCC(=O)O)cc1OCC 3619060 RRPZDNYHNUEVSC-UHFFFAOYSA-N 238.283 2.501 0 40 BFAB CCC[C@H](Nc1ccccc1C)C(=O)O 8702780 QVXIXURYTLRLGD-NSHDSACASA-N 207.273 2.660 0 40 BFAB Cc1ccc(NC(=O)C(C)(C)C)cc1N 8703519 UHNNTGYFUFVUQV-UHFFFAOYSA-N 206.289 2.562 0 40 BFAB in-vitro CC(C)c1cccc(O[C@H](C)C(=O)O)c1 11956992 IGTSFDFHCYFQCS-SECBINFHSA-N 208.257 2.662 0 40 BFAB in-vitro C[C@H](NC(=O)[C@@H]1C[C@@H]1C)c1cccc(F)c1 12905677 YCVOXSYSUKLHSK-HOTUBEGUSA-N 221.275 2.659 0 40 BFAB CCCC(=O)O[C@H]1CCC[C@H]1OC(=O)CCC 16990124 SPJZAVVYUONOPU-PHIMTYICSA-N 242.315 2.594 0 40 BFAB CC(C)[C@H](NCc1ccccc1Cl)C(=O)O 19787751 BZZDYPIEOAOHTL-NSHDSACASA-N 241.718 2.539 0 40 BFAB in-vitro CCN(c1cc(C(=O)O)ccn1)C1CCCCC1 19845008 XQZGFZOIOZXNCM-UHFFFAOYSA-N 248.326 2.939 0 40 BFAB CC1(C)[C@@H]2CC[C@@]1(C)c1nc(NN)sc12 20551703 NJBLDAVBXVRRRS-KBUNVGBDSA-N 223.345 2.604 0 40 BFAB CC[C@@H](C)NC(=O)N[C@H](C)c1ccccc1 20572997 IHVHLHIGUVSVPV-GHMZBOCLSA-N 220.316 2.845 0 40 BFAB CCCc1nn(Cc2ccccc2)c(N)c1C 26512150 CFEMLRYPZKDUIN-UHFFFAOYSA-N 229.327 2.775 0 40 BFAB C[C@H]1C[C@H]1C(=O)Nc1cccc2ncccc12 32750126 JSTKKYQEQZNXOC-GXSJLCMTSA-N 226.279 2.829 0 40 BFAB CCCC(=O)N1CCC[C@@H]2CCCC[C@H]21 32819483 BYTNUEPPTXRSTN-NWDGAFQWSA-N 209.333 2.968 0 40 BFAB CSCC(=O)c1ccc(Br)cc1 34160023 RNZMXZQNRRHIGR-UHFFFAOYSA-N 245.141 2.995 0 40 BFAB c1ccc(C2=NCCN3[C@@H]2[C@H]3c2ccccc2)cc1 34857980 QVPANXFAXRPUEK-FQZXCLDYSA-N 248.329 2.915 0 40 BFAB C[C@H]1C[C@H](C)CN(c2nsnc2Cl)C1 35232162 NFGDQBJTXAKMLW-BQBZGAKWSA-N 231.752 2.674 0 40 BFAB CCCCc1ccc(CC(=O)OC)cc1 38866936 OGXWENQUBCGNFG-UHFFFAOYSA-N 206.285 2.745 0 40 BFAB O=C(O)c1cccc(Nc2ccnc(Cl)n2)c1 40447873 TYVCISRSEZSKEF-UHFFFAOYSA-N 249.657 2.572 0 40 BFAB CC(C)(C)CNC(=O)c1ccc(Cl)c(N)c1 40494401 VYUALZYOEHNFNJ-UHFFFAOYSA-N 240.734 2.698 0 40 BFAB COc1ccc(N)cc1C(=O)c1ccccc1 41248083 CWBOUNYPCOGQQD-UHFFFAOYSA-N 227.263 2.508 0 40 BFAB COc1cccc(COCC[C@H]2CCCCN2)c1 42773993 JIKYIVCRQBSHSP-CQSZACIVSA-N 249.354 2.744 0 40 BFAB NCC1(c2cc(F)cc(F)c2)CCCC1 49350945 XUBNHBDTCWVFMV-UHFFFAOYSA-N 211.255 2.735 0 40 BFAB CCCCS(=O)(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C 57526589 YKMHRJYVUGTDFJ-WOPDTQHZSA-N 247.404 2.531 0 40 BFAB O[C@H](c1cccc2cc[nH]c12)C(F)(F)F 66338896 OCSJDSSFVBWSFW-SECBINFHSA-N 215.174 2.764 0 40 BFAB N[C@@H](Cc1ccc(C2CCCCC2)cc1)C(=O)O 71561831 QXUOMWJRQQFFGF-AWEZNQCLSA-N 247.338 2.689 0 40 BFAB Cc1cc([C@H]2CCCCN2)cnc1N1CCCC1 72218813 YVLWYMGTEFUYRT-CQSZACIVSA-N 245.370 2.805 0 40 BFAB CCCNc1ncc([C@H](O)CC)cc1C 72222173 WHUNNGMBPBCJRS-LLVKDONJSA-N 208.305 2.655 0 40 BFAB CN1CCC(c2ccnc(Cl)c2)CC1 72344236 MBAWDSRMJUWOPE-UHFFFAOYSA-N 210.708 2.544 0 40 BFAB Cc1c[nH]nc1[C@@H]1CCCN(C2CCCC2)C1 72356818 AXOBEEJBNLGDCZ-GFCCVEGCSA-N 233.359 2.840 0 40 BFAB CCN(CCN)Cc1ccc(Cl)c(Cl)c1 76632151 JWHQLWVDHIVXIP-UHFFFAOYSA-N 247.169 2.774 0 40 BFAB O[C@H]1CCc2cc(Cl)c(Cl)cc21 81991218 BVMSVJNZBKHOLJ-VIFPVBQESA-N 203.068 2.973 0 40 BFAB Cc1ccc(C)c(NC(=O)[C@@H]2CCCN(C)C2)c1 82322611 FJINCAGQQRRLMI-CYBMUJFWSA-N 246.354 2.584 0 40 BFAB CCCC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 85394438 DPOHGFKGCFTCRH-UHFFFAOYSA-N 231.295 2.899 0 40 BFAB Oc1cnc2c(C(F)(F)F)cccc2c1 95616421 QCSXDNLSKDXEOX-UHFFFAOYSA-N 213.158 2.959 0 40 BFAB in-vitro CCN(CC)C[C@H]1C(=O)[C@@]2(C)CC[C@H]1C2(C)C 103210017 PJDFPHPQOIPEKX-LALPHHSUSA-N 237.387 2.970 0 40 BFAB CC(C)c1ncccc1Br 107465874 NGGQBCREEXKCDT-UHFFFAOYSA-N 200.079 2.968 0 40 BFAB C[C@H]1CCCN([C@H](CN)c2ccc(F)cc2)C1 108018392 DABCZYVSGXTBSE-SMDDNHRTSA-N 236.334 2.557 0 40 BFAB Fc1ccccc1-c1n[nH]c2c1[C@@H]1CC[C@@H](C2)N1 110751216 HKCCHYYEYIUSMH-KWQFWETISA-N 243.285 2.565 0 40 BFAB C[C@@H](O)CN[C@H]1C[C@H](c2ccccc2)C1(C)C 123675186 OKHGITDXBGVGTH-BNOWGMLFSA-N 233.355 2.539 0 40 BFAB Cc1oncc1CN1CCCc2ccccc21 185171778 ZHZQVKSBDZWHCC-UHFFFAOYSA-N 228.295 2.936 0 40 BFAB CSc1ncnc(Cl)c1-n1cccc1 217468377 ZHIWLGXVKLXPGB-UHFFFAOYSA-N 225.704 2.643 0 40 BFAB Fc1ccc(N2CCN[C@H]3CCCC[C@@H]32)cc1 225712953 BRBMKSIZGUKRRE-KBPBESRZSA-N 234.318 2.547 0 40 BFAB CC1(C)CC[C@H](C(=O)c2ccccc2)O1 256049637 ASSLPYPROLOPMK-LLVKDONJSA-N 204.269 2.827 0 40 BFAB Cc1ccc(N[C@@H]2CC[C@H]2O)c(Cl)c1 585298742 CHQPLUREDGYDHH-GHMZBOCLSA-N 211.692 2.584 0 40 BFAB c1cc(C2CC2)nnc1OC1CCCC1 585651091 ACBVYYBXEQPIIQ-UHFFFAOYSA-N 204.273 2.675 0 40 BFAB N[C@@H]1C[C@@H]1c1ncc(C(F)(F)F)cc1Cl 1857794781 UDDWKFFJOZBNBR-CAHLUQPWSA-N 236.624 2.568 0 40 BFAB CSc1sc(C(=O)O)c(C)c1C(C)=O 125032 KEWQKVSPZZSZNE-UHFFFAOYSA-N 230.310 2.679 0 40 BFAB CCOC(=O)Nc1sc(=S)n(C)c1C 188191 VKKZFCLAMYWDAW-UHFFFAOYSA-N 232.330 2.693 0 40 BFAB Cc1ccc([C@@H](O)c2cnc(C(C)C)n2C)cc1 372979 VYJBNUIOSKMFRF-CQSZACIVSA-N 244.338 2.934 0 40 BFAB Cc1cc(C)c2c(SC(C)C)nc(N)nc2n1 1682029 TZGGHJKGKRMQKD-UHFFFAOYSA-N 248.355 2.724 0 40 BFAB CC[C@@H](C(=O)NCC(C)C)c1ccccc1 2057719 CMNSWXNDTNZFDE-CYBMUJFWSA-N 219.328 2.952 0 40 BFAB Cc1ccc(C(=O)[C@H]2CCC[C@H]2C(=O)O)c(C)c1 2245625 CRUKTNRPTRXQRA-QWHCGFSZSA-N 246.306 2.987 0 40 BFAB c1ccc(NCc2nnc3n2CCCCC3)cc1 3171849 OOJNELXWRKRYSI-UHFFFAOYSA-N 242.326 2.617 0 40 BFAB CCC[C@@H](OC(C)=O)c1ccc2c(c1)OCO2 5561147 SKTAXJVKOBDLFR-LLVKDONJSA-N 236.267 2.820 0 40 BFAB CC[C@H](C)NC(=O)Nc1ccc(C)cc1 5599263 BNCXYBFZMPJUFJ-JTQLQIEISA-N 206.289 2.915 0 40 BFAB CCCCn1nc(C)c(/C=C/C(=O)O)c1Cl 6507274 MWVDONPTZBRDPV-AATRIKPKSA-N 242.706 2.743 0 40 BFAB in-vitro CC(=O)c1c(C)[nH]c(-c2csc(N)n2)c1C 6831628 KTMCTNAVARUCAI-UHFFFAOYSA-N 235.312 2.540 0 40 BFAB CSc1nc2ccccc2c(=O)n1C(C)C 7236920 BZXFPKZITFPKJV-UHFFFAOYSA-N 234.324 2.699 0 40 BFAB C[C@@H]1C[C@@H](C)CN(c2ccccc2N)C1 8702424 HGVKFJHZLQOFNQ-GHMZBOCLSA-N 204.317 2.751 0 40 BFAB CCCOCCCOc1ccc(C(=O)O)cc1 8731438 HOTDSGNVCSDEOH-UHFFFAOYSA-N 238.283 2.580 0 40 BFAB Cc1c(Cl)cccc1N1[C@@H](C)CNC[C@@H]1C 11632670 KPIUJOCQDXHOQX-UWVGGRQHSA-N 238.762 2.835 0 40 BFAB CC(=O)c1ccc(Nc2cc(C)ncn2)cc1 11902784 WNUVHGWNBJSYDF-UHFFFAOYSA-N 227.267 2.731 0 40 BFAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2)C1 13965849 ZIYABAITZZCZFQ-TXEJJXNPSA-N 217.312 2.805 0 40 BFAB CC1=CC[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2C1 18062279 ASZMUCNZOBZRBK-OLZOCXBDSA-N 241.290 2.532 0 40 BFAB C[C@H](NN)c1ccc(OCc2ccccc2)cc1 19279168 ODPOQXNKPWYSRR-LBPRGKRZSA-N 242.322 2.790 0 40 BFAB CC(C)(C)C(=O)Nc1nc2ccc(N)cc2s1 22164521 JQDRJMDNTBBYMA-UHFFFAOYSA-N 249.339 2.863 0 40 BFAB Cc1ccc(-c2cc(C(=O)O)no2)c(C)c1 22170236 SYIAGMFEYCGFSW-UHFFFAOYSA-N 217.224 2.657 0 40 BFAB COc1ccc(-c2ccc3c(c2)NC(=O)C3)cc1 34417297 MYUNWQZTMMYCCB-UHFFFAOYSA-N 239.274 2.857 0 40 BFAB CCCC[C@H](C)NCCCOC[C@@H]1CCCO1 37233852 DIGDHFOBCVSJTQ-KBPBESRZSA-N 243.391 2.740 0 40 BFAB CC(C)c1ccc(NS(=O)(=O)C2CC2)cc1 38489935 GIKPTVVORIOMHL-UHFFFAOYSA-N 239.340 2.714 0 40 BFAB c1ccc2c(c1)CCN2Cc1nc(C2CC2)no1 43999648 IUTUXRTWNDTBBT-UHFFFAOYSA-N 241.294 2.510 0 40 BFAB CN(C[C@H](O)c1ccc(F)cc1)C1CCCC1 58304649 QPBFAKQOOQDZJO-AWEZNQCLSA-N 237.318 2.734 0 40 BFAB COc1ccc(CCCC(=O)NCC(C)C)cc1 61110093 PRIACDFWAIBPEU-UHFFFAOYSA-N 249.354 2.790 0 40 BFAB Cc1ccc(COc2cccc(C(N)=O)c2)cc1 62170137 WAGBTCGJMQTSOD-UHFFFAOYSA-N 241.290 2.673 0 40 BFAB CSCCC(=O)c1cc(F)cc(F)c1 69984108 ORPBIJXWYUWLNJ-UHFFFAOYSA-N 216.252 2.901 0 40 BFAB C[C@@H](N)CCc1ccccc1C(F)(F)F 70453360 GSLMXPIXCJPTHK-MRVPVSSYSA-N 217.234 2.985 0 40 BFAB COc1cccc([C@H]2CCCC(=O)C2)c1 70737597 ITELCHXDAYGAGU-JTQLQIEISA-N 204.269 2.922 0 40 BFAB CC(C)(N)COc1ncc(Cl)cc1Cl 70838215 JUHLIKLCPFQNOA-UHFFFAOYSA-N 235.114 2.505 0 40 BFAB in-vitro O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1cccc(F)c1 71375615 ZWRYVQGTGWLIQN-OPQQBVKSSA-N 233.286 2.744 0 40 BFAB CC(C)CN1c2ccccc2[C@H](C(N)=O)C[C@@H]1C 71811784 VTGDSTLWPQUNJA-WCQYABFASA-N 246.354 2.510 0 40 BFAB CCCN1CCC[C@H]1c1ccc(OC)nc1C 72218078 CRTAHBKGJFGZME-ZDUSSCGKSA-N 234.343 2.946 0 40 BFAB CCS[C@H]1CCC[C@H]1Nc1ncccn1 78996791 VPRBOEVQQSNSGI-ZJUUUORDSA-N 223.345 2.563 0 40 BFAB Cc1cc(/C=C/C(=O)O)ccc1OC(C)C 82598157 JHKRLJBINSMVGJ-FNORWQNLSA-N 220.268 2.880 0 40 BFAB in-vitro COc1cccc(C(=O)Nc2c(C)noc2C)c1 84025572 KZVFAXBLYCPWQG-UHFFFAOYSA-N 246.266 2.552 0 40 BFAB CC1(c2ncc(Br)c(Cl)n2)CC1 87548885 JIXMTYSKIMTABX-UHFFFAOYSA-N 247.523 2.944 0 40 BFAB C[C@@H](O)CCN[C@H]1[C@@H]2CCCC[C@@H]2C1(C)C 95971791 CPDMXRYHHQKSLE-NDBYEHHHSA-N 225.376 2.562 0 40 BFAB COc1cc(/C=C/[N+](=O)[O-])c(OC)cc1Cl 96191835 CLAKVUUWDLHEJP-ONEGZZNKSA-N 243.646 2.605 0 40 BFAB C[C@@H](O[C@@H]1CCNC1)c1ccc(Cl)cc1 96529823 HNSAYWWKVSGZOD-BXKDBHETSA-N 225.719 2.780 0 40 BFAB Oc1ccc(CN2CCCC2)cc1Cl 96543748 DIQSLLUSEPJWDA-UHFFFAOYSA-N 211.692 2.641 0 40 BFAB CC(C)C1=NN(c2cccc(F)c2)C(=O)C1 100407048 QFTXEOYZYYPSIO-UHFFFAOYSA-N 220.247 2.574 0 40 BFAB OC1(Cc2cccc(F)c2Cl)CCOCC1 167120112 PCTALXSPCCGVJZ-UHFFFAOYSA-N 244.693 2.563 0 40 BFAB Cc1ccc(C)c(NC(=O)c2cnco2)c1 169953439 ZEEADSKAMCRTPY-UHFFFAOYSA-N 216.240 2.544 0 40 BFAB Cc1ccc(NC(=O)c2cnco2)cc1Cl 169956079 SAVWTZJNNCXRIR-UHFFFAOYSA-N 236.658 2.889 0 40 BFAB Cl[C@]12C[C@@H]3[C@@H]4C[C@](Cl)(O1)[C@@H]1[C@H]4C[C@H]3[C@@H]12 195528767 XACQLMSONRGALD-LVDCAZFNSA-N 231.122 2.809 0 40 BFAB CC(C)c1ccc(C(=O)[C@@H]2C[C@H]2C(=O)O)cc1 217816485 VTGISCKYQUJNDI-VXGBXAGGSA-N 232.279 2.713 0 40 BFAB CCC[C@H](C)NC(=S)Nc1ccncc1 225178752 XDQAVWDAYZBAEZ-VIFPVBQESA-N 223.345 2.557 0 40 BFAB COCCCSC[C@H]1CCC(C)(C)O1 225436981 XUHGYJQZNFMTEB-SNVBAGLBSA-N 218.362 2.714 0 40 BFAB CCCCCC[C@@H](C)N1CCNC[C@H]1C 238808729 DWUSIMXKIRNGMX-CHWSQXEVSA-N 212.381 2.639 0 40 BFAB C[C@@H]1CCCN([C@H](CN)c2ccc(F)cc2)C1 242463397 DABCZYVSGXTBSE-BXUZGUMPSA-N 236.334 2.557 0 40 BFAB c1coc(CN2CCCC[C@H]2c2ccncn2)c1 257213248 CGTNNBLNVVOANC-AWEZNQCLSA-N 243.310 2.797 0 40 BFAB Cn1cc(Br)c2ccnc(Cl)c21 953058716 NLYAVQVKIDFUOW-UHFFFAOYSA-N 245.507 2.989 0 40 BFAB NC1(c2c(F)cccc2F)CC(F)(F)C1 1536214465 OALLHCMBPUHMFA-UHFFFAOYSA-N 219.181 2.548 0 40 BFAB CC(=O)c1cc(C(C)=O)c2ccccc2c1O 1628180 LCSMZQPYTFSOJD-UHFFFAOYSA-N 228.247 2.951 0 40 BFAB CCCCc1ccc2nc(NN)sc2c1 2455657 VYVWGAHDVKULNF-UHFFFAOYSA-N 221.329 2.925 0 40 BFAB O=Cc1ccc(OC(=O)c2ccc(F)cc2)cc1 2550897 AVACFCWXODKZAZ-UHFFFAOYSA-N 244.221 2.857 0 40 BFAB O=c1cc(Br)c2ccccc2o1 2809977 CSMSWYXPXRIHBY-UHFFFAOYSA-N 225.041 2.556 0 40 BFAB CC1=CC=C[C@H]2Cc3ccccc3C(=O)N12 3847881 LIJSIYGBGNQHRZ-LBPRGKRZSA-N 211.264 2.527 0 40 BFAB biogenic COc1cccc(NC(=O)CC(C)C)c1 5497627 MRVCZHZXIBIYLL-UHFFFAOYSA-N 207.273 2.680 0 40 BFAB Cc1cc(C)nc(NC(=O)c2ccccc2)c1 6070186 NVKSBZOFCYGLHB-UHFFFAOYSA-N 226.279 2.951 0 40 BFAB CCn1c(C)cs/c1=N\c1ccc(O)cc1 8654166 OBNDIZYXTVWEKW-SEYXRHQNSA-N 234.324 2.816 0 40 BFAB O=C(NC(C1CC1)C1CC1)c1ccsc1 12851250 WMGMYYJZDZTXPL-UHFFFAOYSA-N 221.325 2.667 0 40 BFAB Cc1cc(C(=O)Nc2ccc(C)c(F)c2)on1 14084405 FMEXKWCENMFWBB-UHFFFAOYSA-N 234.230 2.683 0 40 BFAB C[C@H](O)c1ccc(F)c(C(F)(F)F)c1 15442958 VVMUNUHSORCOAL-YFKPBYRVSA-N 208.154 2.898 0 40 BFAB in-vitro CC1=CO[C@](C)([C@H]2N[C@@H](C)CC(C)(C)N2)CC1 19325720 OCRUJCNPOFTYIS-OBJOEFQTSA-N 238.375 2.535 0 40 BFAB COc1cccc(NCc2cccnc2)c1 19964004 FMCYUEVTYILOJP-UHFFFAOYSA-N 214.268 2.702 0 40 BFAB COc1ccc(NC[C@H]2CCCO2)cc1Cl 20041166 RFQNEKFLYMSVJL-SNVBAGLBSA-N 241.718 2.940 0 40 BFAB O=C(O)CCc1c[nH]c2cc(Cl)ccc12 20269217 VFRNTOBLPJQBET-UHFFFAOYSA-N 223.659 2.839 0 40 BFAB Cc1ccc(CN2CCN3CCC[C@H]3[C@H]2C)cc1 22078253 OKJOQUQEQQRRTE-ZBFHGGJFSA-N 244.382 2.664 0 40 BFAB CCc1ccc(Nc2cc(=O)[nH]c(=S)[nH]2)cc1 29410209 FLNBIGDLQUHBKR-UHFFFAOYSA-N 247.323 2.738 0 40 BFAB C[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccco1 32787726 VYXBJTIVSBVZOH-GHMZBOCLSA-N 221.300 2.930 0 40 BFAB COc1ccc2c(c1)CCCN2C(=O)[C@@H]1C[C@H]1C 32848577 MTOJIVWCQPDXOE-ZWNOBZJWSA-N 245.322 2.630 0 40 BFAB CN(Cc1cccc(F)c1)C(=O)C1CCCC1 33000196 YXAKCSAIVCZPKL-UHFFFAOYSA-N 235.302 2.974 0 40 BFAB CC[C@H](N)Cc1ccc(Br)cc1 36778963 FXNKUUXUTXCDLM-JTQLQIEISA-N 228.133 2.729 0 40 BFAB C[C@H](Cc1cccs1)NC(=O)C1CCC1 38935397 YQHLGVIVFJEGCH-SECBINFHSA-N 223.341 2.595 0 40 BFAB Nc1ccc(OC(F)F)c(C(F)(F)F)c1 42354519 KECMHGFWHSNIEA-UHFFFAOYSA-N 227.132 2.889 0 40 BFAB in-vitro Cc1ccsc1C(=O)CC(C)(C)C(=O)O 43214278 WUJWHQYBCLUNBC-UHFFFAOYSA-N 226.297 2.740 0 40 BFAB O=C(NCc1cccnc1)N1CCCCCCC1 48729758 MXURTVCPFCGTOY-UHFFFAOYSA-N 247.342 2.557 0 40 BFAB NC[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 54561850 YOWILGGJTLQJCW-WPRPVWTQSA-N 215.218 2.768 0 40 BFAB Cc1cc(CN2CCCc3ccccc32)no1 61744702 QNVIMQITQMXKCJ-UHFFFAOYSA-N 228.295 2.936 0 40 BFAB CNC[C@H](OC)c1cccc2ccccc12 62711493 USTPTINEMIXNMJ-AWEZNQCLSA-N 215.296 2.747 0 40 BFAB CC(=O)N[C@@H](C)Cc1ccc2ccccc2c1 65566195 KPODCKYIWDFSMT-NSHDSACASA-N 227.307 2.907 0 40 BFAB CCN(CC)c1cccc(O[C@H]2CCCNC2)c1 66341699 PKCGXJUGKJMNKR-HNNXBMFYSA-N 248.370 2.664 0 40 BFAB CC(C)N1CCC[C@H]1c1cccnc1S 72217061 PISWEHSIECXZPC-NSHDSACASA-N 222.357 2.916 0 40 BFAB CCc1cc(NCc2ccccc2)n(C)n1 79073401 HHLDCJHHIMXXCI-UHFFFAOYSA-N 215.300 2.595 0 40 BFAB C[C@H](N)C1(c2ccc(Br)cc2)CC1 82237856 XBJJHNCJZZPBIM-QMMMGPOBSA-N 240.144 2.828 0 40 BFAB CSc1ccc(CNc2cc[nH]n2)cc1 83992881 ITPZBZHRLURNDB-UHFFFAOYSA-N 219.313 2.744 0 40 BFAB CC(C)(C)c1ccc(-c2noc(C=O)n2)cc1 89262074 BYWVJYLBZQVVPN-UHFFFAOYSA-N 230.267 2.847 0 40 BFAB CCCc1ncc(C(=O)N2CCCCC2)s1 89960526 CARCQEWPMHZSRK-UHFFFAOYSA-N 238.356 2.722 0 40 BFAB CC(C)[C@@H](NCCCO)c1ccc(F)c(F)c1 96492295 NNYLSZAAODQWHV-CYBMUJFWSA-N 243.297 2.634 0 40 BFAB Cc1ccc(C(=O)CC(=O)C(F)(F)F)s1 100476042 UCEAQWOZGAFPPB-UHFFFAOYSA-N 236.214 2.761 0 40 BFAB OCCC12C[C@H]3CC(C[C@@H](C3)C1)C2(F)F 100807077 GGYDDDKXDCTMPZ-NKVNRFPTSA-N 216.271 2.830 0 40 BFAB Oc1cc(N2CCCC2)cc(N2CCCC2)c1 100846570 LABWUCJZQBDUAV-UHFFFAOYSA-N 232.327 2.593 0 40 BFAB COc1cc(Br)c(C)cc1C=O 138179557 ZKTOYJCPVACGFN-UHFFFAOYSA-N 229.073 2.579 0 40 BFAB CC(C)[C@H](C)NC(=O)/C=C/c1ccccc1 225184384 FQLQJZHWPSCOFE-VMPCVLLUSA-N 217.312 2.861 0 40 BFAB N#Cc1cc(C(=O)C2CCC2)ccc1F 379803190 LCBGZORRUXOFLZ-UHFFFAOYSA-N 203.216 2.680 0 40 BFAB CSc1nc(C2CC2)cc(N2CCCC2)n1 1888849564 YCEGNYIOFNYHEA-UHFFFAOYSA-N 235.356 2.676 0 40 BFAB Nc1cccc(-c2nc3ccc(N)cc3o2)c1 235957 VSMRWFMFAFOGGD-UHFFFAOYSA-N 225.251 2.659 0 40 BFAB in-vitro C[C@@H]1CCCc2c1oc1c(c2=O)CCCC1 384449 AHYATZNKVQSUPC-SECBINFHSA-N 218.296 2.958 0 40 BFAB O=C1c2ccccc2CN1Cc1ccccc1 1399926 SCSQXWFIZNVBID-UHFFFAOYSA-N 223.275 2.843 0 40 BFAB C[C@@H]1C[C@@H](C)CN(C(=O)Cc2cccs2)C1 1456511 BZZMDFFKTWQPAE-GHMZBOCLSA-N 237.368 2.795 0 40 BFAB COc1ccc(C(=O)NCc2cccs2)cc1 1730319 HWVOHZJTRWCVSC-UHFFFAOYSA-N 247.319 2.687 0 40 BFAB CCCCCC(=O)CCCCC(=O)O 2378801 CFHSTABJNSOHHK-UHFFFAOYSA-N 200.278 2.781 0 40 BFAB biogenic NCCc1c(-c2ccccc2)nc2ccccn12 2526962 FACFHHMQICTXFZ-UHFFFAOYSA-N 237.306 2.503 0 40 BFAB Nc1ccccc1NCCc1ccccc1 3184956 UMCDLQOIKZOKNA-UHFFFAOYSA-N 212.296 2.923 0 40 BFAB in-vitro N=C1c2ccccc2CN1Cc1ccco1 3305919 ILJXPAPYIDYOQW-UHFFFAOYSA-N 212.252 2.621 0 40 BFAB CN1CCC[C@@]2(CCCc3ccccc32)C1 3593769 PBSQCGBLDFOFBG-HNNXBMFYSA-N 215.340 2.986 0 40 BFAB CC(C)c1ccc(C(=O)CCN(C)C)cc1 4903956 RWQGRZQVDTUUGU-UHFFFAOYSA-N 219.328 2.944 0 40 BFAB O=C([C@H]1C=CCCC1)N1CCCCCC1 8471678 XHUFGPWVRDVPFT-LBPRGKRZSA-N 207.317 2.745 0 40 BFAB O=C(NCC1(c2ccccc2)CCC1)C1CC1 10221301 DVYYIGURXFAHPS-UHFFFAOYSA-N 229.323 2.635 0 40 BFAB S=c1[nH]cnc2c1ncn2C1C=CC=CC=C1 17014292 LHWJZXUOMSCVLL-UHFFFAOYSA-N 242.307 2.712 0 40 BFAB N[C@H](c1ccccc1)c1ccccc1F 19421176 MSFUBUYLKQNVJI-CYBMUJFWSA-N 201.244 2.874 0 40 BFAB C[C@@H]1CCCN([C@@H](CN)c2ccc(F)cc2)C1 22216383 DABCZYVSGXTBSE-RISCZKNCSA-N 236.334 2.557 0 40 BFAB NCc1cccc(Cn2cnc3ccccc32)c1 22223491 RCSBTARKNQPCPD-UHFFFAOYSA-N 237.306 2.543 0 40 BFAB in-vitro Fc1cccc(-c2nc3ccncc3[nH]2)c1 27846516 UHOZQNLICXTVNV-UHFFFAOYSA-N 213.215 2.764 0 40 BFAB O=C(O)c1cccc2c(-c3ccccc3)[nH]nc12 31990414 BBDTYEOOFZGCKN-UHFFFAOYSA-N 238.246 2.928 0 40 BFAB CC(C)c1cc(C(C)C)c(CO)cc1CO 34383789 ZCSRMKWFMUDWAH-UHFFFAOYSA-N 222.328 2.918 0 40 BFAB in-vitro CCOC(=O)c1cncc(-c2ccccc2)c1 34578841 DZIRMLODMPLLRZ-UHFFFAOYSA-N 227.263 2.925 0 40 BFAB CC[C@]1(C)OC(=O)N(Cc2ccccc2)[C@@]1(C)O 35327543 MUMVWDVYJBOAQP-KBPBESRZSA-N 249.310 2.516 0 40 BFAB CCc1c(-c2cc(F)ccc2F)nn(C)c1N 36916295 PSGBFIWGUYRBCP-UHFFFAOYSA-N 237.253 2.510 0 40 BFAB CC[C@@H](C)c1nc2cc3c(cc2[nH]1)OCCO3 37400535 BHXZRKIEMZFBNT-MRVPVSSYSA-N 232.283 2.848 0 40 BFAB COc1ccc(C2(CNC(C)=O)CCCC2)cc1 38593474 WBIMYAVBZODNMP-UHFFFAOYSA-N 247.338 2.643 0 40 BFAB Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)o1 40488470 XOFZAJQBRPFETK-AOOOYVTPSA-N 221.300 2.706 0 40 BFAB COCc1ccccc1NC(=O)NC1CCCC1 40527942 CRFOSBGHPXHBBS-UHFFFAOYSA-N 248.326 2.897 0 40 BFAB COCC(=O)c1ccc2cc(OC)ccc2c1 43504884 VCLKDXJQVALAHO-UHFFFAOYSA-N 230.263 2.678 0 40 BFAB COc1c(Cl)cc(/C=C/C(N)=O)cc1Cl 44278798 JBJMTCVSZPPZAH-NSCUHMNNSA-N 246.093 2.501 0 40 BFAB CCC[C@H](C)NC[C@H](C)C(=O)OC(C)(C)C 47219017 ZYJPKZJOIAGTIK-QWRGUYRKSA-N 229.364 2.742 0 40 BFAB CC(C)CNC(=O)c1ccc(Cl)cc1F 50825625 SOMJVOKMFHXSQG-UHFFFAOYSA-N 229.682 2.865 0 40 BFAB FC(F)(F)c1csc(C2CCNCC2)n1 53252510 LESCGCCPEGZDKA-UHFFFAOYSA-N 236.262 2.629 0 40 BFAB Cc1cc(C)cc(OCCNC(=O)C(C)(C)C)c1 55526316 IGUUPJFGZGFKQJ-UHFFFAOYSA-N 249.354 2.845 0 40 BFAB Cc1cncc2cc(Br)cnc12 62716632 OVMIDLVMUSWNQR-UHFFFAOYSA-N 223.073 2.701 0 40 BFAB OC[C@H]1C[C@@H]1c1ccc(Br)cc1 70453304 AVYSEWDQKFGYMF-PSASIEDQSA-N 227.101 2.545 0 40 BFAB CCCNc1ncccc1C1=NCCCC1 72213145 UKJXFMJDRTYTQN-UHFFFAOYSA-N 217.316 2.877 0 40 BFAB CC[C@@H](C)Nc1ccc([C@H]2CCCN2C=O)cn1 72213481 ITKSNQDZRJLYPI-DGCLKSJQSA-N 247.342 2.585 0 40 BFAB CCc1ccc(-c2cnc(C(=O)O)o2)s1 72219852 SMHSWMXUDNIZRP-UHFFFAOYSA-N 223.253 2.664 0 40 BFAB COc1ccc(C(=O)c2ccccc2)c(C)n1 72224018 ZGSHCWSSLWHDCK-UHFFFAOYSA-N 227.263 2.630 0 40 BFAB c1cnc2ccc(C[C@H]3CCCNC3)cc2c1 72367588 OMJASBSVENNOHR-CYBMUJFWSA-N 226.323 2.777 0 40 BFAB CCOc1cc(N)ccc1NC(=O)C(C)(C)C 73638388 NPEZAMKIPACJQR-UHFFFAOYSA-N 236.315 2.652 0 40 BFAB O=c1cc(C(F)(F)F)c2cccc(F)c2[nH]1 75895417 ZSWUSPCJLDQHTC-UHFFFAOYSA-N 231.148 2.686 0 40 BFAB C[C@@H](Sc1ncc[nH]1)C(=O)Nc1ccccc1 78991600 BACZJWMNGMEUCQ-SECBINFHSA-N 247.323 2.529 0 40 BFAB Cc1ccc([C@@H](O)c2ccccn2)s1 84006951 USWYKQQQQXFSLY-NSHDSACASA-N 205.282 2.533 0 40 BFAB COC(=O)c1ccc(O)c(-c2csc(C)n2)c1 85390076 IYUSSILICIHNQL-UHFFFAOYSA-N 249.291 2.611 0 40 BFAB COc1ccc(-c2oncc2C)cc1F 85395278 ZAWDSOUOHKQEKM-UHFFFAOYSA-N 207.204 2.798 0 40 BFAB CO[C@@H]1CCCC[C@@H]1CCNCC1CC1 85396137 YXRGZCMARKYYOE-CHWSQXEVSA-N 211.349 2.581 0 40 BFAB O=C(COC1CCCCC1)Nc1cccc(O)c1 95426632 NYNOPYRDVKSEOI-UHFFFAOYSA-N 249.310 2.680 0 40 BFAB CC1=CCC[C@@H](C)[C@H]1CNCCCn1ccnc1 97098615 MVTCVCZOEUQRPU-CABCVRRESA-N 247.386 2.855 0 40 BFAB C[C@@H](c1cccnc1)N(C)Cc1ccn(C)c1 97113721 KXVWSBPHVNKUBH-LBPRGKRZSA-N 229.327 2.613 0 40 BFAB CCc1ccc2c(=O)c(CC)c(C)[nH]c2c1 685938365 JSYVBDRSZDTRRU-UHFFFAOYSA-N 215.296 2.961 0 40 BFAB CC(F)(F)OCC(Cl)(Cl)Cl 1083808008 SPKGBSPYEDEPII-UHFFFAOYSA-N 213.438 2.986 0 40 BFAB Cc1ncnc(Nc2ccc(F)cc2)c1F 1888864200 OZVHFLOQOMUJHD-UHFFFAOYSA-N 221.210 2.807 0 40 BFAB Cc1nnc2cc(OCc3ccccc3)ccn12 2362801542 QGOGFOJZQRMNHJ-UHFFFAOYSA-N 239.278 2.617 0 40 BFAB Cc1cccc(NC(=O)NCC2CC2)c1 157638 WVSJDRNPYKWQLX-UHFFFAOYSA-N 204.273 2.527 0 40 BFAB Nc1ccc2nc(-c3ccccc3)cnc2c1 331445 VGCQJYNBINGZKO-UHFFFAOYSA-N 221.263 2.879 0 40 BFAB CC1=C[C@H](C)C2(COC(C)OC2)[C@H](C)C1 517784 BAYLCXARJZNKOL-ZFDZMSFRSA-N 210.317 2.988 0 40 BFAB biogenic Nc1ccc2c(c1)-c1ccccc1C1=NCCN12 1649166 JLLIIMADIDDHRL-UHFFFAOYSA-N 235.290 2.516 0 40 BFAB CC(C)c1ccc(CN2CCOC2=O)cc1 1672052 OFSALKOZOSEKTJ-UHFFFAOYSA-N 219.284 2.762 0 40 BFAB c1cc2ccc(C3CCNCC3)cc2[nH]1 2512996 NOWXMNGSPQKWEM-UHFFFAOYSA-N 200.285 2.635 0 40 BFAB C[C@H]1[C@H](c2ccccc2)SC(=N)N1C 4777595 GMFUTRCIEWHKBH-WCBMZHEXSA-N 206.314 2.730 0 40 BFAB O=c1cc(/C=C\c2ccccc2)cccc1O 4976432 BUJWOAXMIRDTKZ-KTKRTIGZSA-N 224.259 2.923 0 40 BFAB CCCc1ccc(-c2cc(C(=O)O)n[nH]2)cc1 6848093 MSSPQTLRTGPZIP-UHFFFAOYSA-N 230.267 2.727 0 40 BFAB Nc1ccccc1NC(=O)C1CCCCC1 8703402 TZXMXCNAINYVMS-UHFFFAOYSA-N 218.300 2.788 0 40 BFAB Cc1ccc(NC(=O)c2ccco2)c(F)c1 10109637 UPBRUTARAQCDMJ-UHFFFAOYSA-N 219.215 2.979 0 40 BFAB Cn1cc2c(C(F)(F)F)cc(Cl)nc2n1 12398049 XQLQKEWMWAZHFO-UHFFFAOYSA-N 235.596 2.641 0 40 BFAB Cc1nc2cc(F)ccc2cc1C(=O)NC(C)C 12865242 RCFRYXQNHCZXLS-UHFFFAOYSA-N 246.285 2.821 0 40 BFAB Cc1ccsc1C(=O)N[C@H](C)c1ccccn1 28781064 UZCXNRWITWXARA-SNVBAGLBSA-N 246.335 2.943 0 40 BFAB CCC(C)(C)NC(=O)c1ccc(C)s1 32666438 KDLWVLYODJQERV-UHFFFAOYSA-N 211.330 2.975 0 40 BFAB C=CC(=O)N(CC)Cc1ccc(Cl)s1 37828617 JQEQPDUACJFEGN-UHFFFAOYSA-N 229.732 2.936 0 40 BFAB CCOC(=O)[C@H]1SCCc2ccccc21 39257006 DSDCRGJRJBOZLB-NSHDSACASA-N 222.309 2.580 0 40 BFAB CC[C@@H](C)NC(=O)c1cc(C(C)C)nn1CC 40505569 NSVWMUYGINTZMM-SNVBAGLBSA-N 237.347 2.555 0 40 BFAB C[C@H]1CCCC[C@H]1NCCN1CCCCC1 41582427 LTYYIVCKEHVRHA-UONOGXRCSA-N 224.392 2.641 0 40 BFAB Cc1cc(C(=O)N(CCC(C)C)C2CC2)on1 42767333 OCGXDARKYSUJBP-UHFFFAOYSA-N 236.315 2.634 0 40 BFAB CCOc1ccccc1OCC[C@H]1CCCNC1 42772400 CTSQSHPXGVXSAM-CYBMUJFWSA-N 249.354 2.854 0 40 BFAB Fc1ccc2c([C@@H]3CCCNC3)c[nH]c2c1 44135656 RUAUOTLPMYTLKR-SECBINFHSA-N 218.275 2.774 0 40 BFAB OCCCc1ccc(OC(F)(F)F)cc1 44396269 FGGLBUFMUXDVBV-UHFFFAOYSA-N 220.190 2.510 0 40 BFAB Cc1cc(C)c2nc(C)cc(OCCO)c2c1 53994804 AGZCOJBORPQZDJ-UHFFFAOYSA-N 231.295 2.531 0 40 BFAB CN(C1CCCCC1)C1CCC(N)CC1 55144267 QWQBDXHRZMHGIG-UHFFFAOYSA-N 210.365 2.521 0 40 BFAB CC(C)CC(=O)N(Cc1ccccn1)C1CC1 58344585 AVMLPNDIFUNNQN-UHFFFAOYSA-N 232.327 2.619 0 40 BFAB Clc1cccc(Cl)c1COC[C@H]1CO1 59469779 QEDYWVUBXHTVSV-ZETCQYMHSA-N 233.094 2.909 0 40 BFAB CCCc1noc([C@H](C)N2CCCCC2)n1 65564641 PXHMMPAPFUQQLE-JTQLQIEISA-N 223.320 2.569 0 40 BFAB O=C(O)c1ccc2cc(C(F)(F)F)ncc2c1 67172213 HRMKKLXMVZZMLC-UHFFFAOYSA-N 241.168 2.952 0 40 BFAB Cc1cnn([C@H](C)[C@@H](C)NCc2ccco2)c1 69565204 ZVCJLBKAMKUECD-VXGBXAGGSA-N 233.315 2.524 0 40 BFAB CC(C)c1nnc2sc([C@@H]3CC34CCC4)nn12 71755295 PGHUVLVTNWQZAC-QMMMGPOBSA-N 248.355 2.967 0 40 BFAB COc1cc(C)c([C@@H]2CCCN2C(C)C)cn1 72218015 SEOXTVWXHIWEIS-ZDUSSCGKSA-N 234.343 2.944 0 40 BFAB CC[C@H](O)c1ccc(N2CCCCC2)nc1 72225449 RFENRIKNUPZPFY-LBPRGKRZSA-N 220.316 2.515 0 40 BFAB c1cnc2ccc(OC[C@@H]3CCCNC3)cc2c1 72233441 RCUIXVOBUMKKPG-GFCCVEGCSA-N 242.322 2.613 0 40 BFAB Cc1ccccc1NC1(CN)CCCC1 83774763 MGYFYOFMNFSAJT-UHFFFAOYSA-N 204.317 2.678 0 40 BFAB Nc1ncccc1-c1nc2c(Cl)cccc2[nH]1 95097560 QDUZHZMKODTKJB-UHFFFAOYSA-N 244.685 2.861 0 40 BFAB Brc1cccc2c1NCCS2 95535175 GIUJURUFKDHCJG-UHFFFAOYSA-N 230.130 2.967 0 40 BFAB in-vitro Cn1cccc1[C@H](O)c1ccc(F)c(Cl)c1 95727643 MKIIHTRXIQCDEO-GFCCVEGCSA-N 239.677 2.899 0 40 BFAB CCOC(=O)CCCOc1cc(C)ccc1F 95734147 BQXFZZSPZTVGLS-UHFFFAOYSA-N 240.274 2.856 0 40 BFAB CC(C)N1CC2(CCNCC2)c2cccc(F)c21 96261774 YYQQJLPXZCBCBX-UHFFFAOYSA-N 248.345 2.675 0 40 BFAB c1ccc(-c2nnco2)c(OCC2CCC2)c1 96493907 QHSCVCXCURDMCI-UHFFFAOYSA-N 230.267 2.916 0 40 BFAB CC(C)CN1CC[C@H](CN)c2ccccc21 96510380 TUIIUTVWCRMQFV-GFCCVEGCSA-N 218.344 2.595 0 40 BFAB c1nc(N2C[C@H]3CCC[C@@H]3C2)c2ccsc2n1 98019107 AFJFPQDCNPLBGB-NXEZZACHSA-N 245.351 2.928 0 40 BFAB CCC12C[C@H]3C[C@H](C1)CC(OCCO)(C3)C2 100153347 UREAHLMKOYWUSL-IWMBGFJWSA-N 224.344 2.744 0 40 BFAB S=C(Nc1cccnc1)N[C@H]1C[C@H]2CC[C@H]1C2 103136755 ONMQNDJMGPVZQX-NHCYSSNCSA-N 247.367 2.557 0 40 BFAB O=C(O)/C=C/c1cc(Cl)c(F)cc1F 167095231 AXQLBJZFLDRWAD-OWOJBTEDSA-N 218.586 2.716 0 40 BFAB O=C(O)CC[C@@H]1CC[C@H](c2ccccc2)O1 200077383 OZFJUORCJOEQJR-NWDGAFQWSA-N 220.268 2.772 0 40 BFAB CC1=CC(C)(C)N(CC(=O)O)c2cc(F)ccc21 223824361 LCVJUSNFPDEVBC-UHFFFAOYSA-N 249.285 2.912 0 40 BFAB CC(C)(C)n1ncc2c1N[C@@H]1CCC[C@@H]1C2 225813411 NOZFEHVLHFCHCS-MWLCHTKSSA-N 219.332 2.775 0 40 BFAB C[C@H]1C[C@H](C(=O)O)c2c1[nH]c1ccccc21 238520696 FDOUSMDGPRTRSE-CBAPKCEASA-N 215.252 2.843 0 40 BFAB Fc1ccc2[nH]cnc2c1C(F)(F)F 258840306 ZVQMTSAZVFSWSE-UHFFFAOYSA-N 204.126 2.721 0 40 BFAB COCCNC(=S)c1cccc2ccccc12 408576946 YZMKNPGYXLEWCG-UHFFFAOYSA-N 245.347 2.751 0 40 BFAB CO[C@@H](NC(=O)c1ccccc1)c1ccccc1 32167 SMGKQBBUCCCFBY-OAHLLOKOSA-N 241.290 2.762 0 40 BFAB CCCc1c(NCC)ccc(C(C)=O)c1O 157855 UWWBBPLMOICDBT-UHFFFAOYSA-N 221.300 2.979 0 40 BFAB N[C@H]1CC2c3ccccc3C1c1ccccc12 1685684 URRYLKCWJQMOQX-PCKAHOCUSA-N 221.303 2.995 0 40 BFAB CCOc1ccccc1C(=O)CCCC(=O)O 2579969 GEGKMAWTQMFHKN-UHFFFAOYSA-N 236.267 2.523 0 40 BFAB Cc1cnc(NC(=O)/C=C/c2ccco2)s1 3162457 WXHNWRSVJRWAET-SNAWJCMRSA-N 234.280 2.696 0 40 BFAB c1ccc(CN2CCCC3(CCNCC3)C2)cc1 3956260 QIQMOZPPWNBFSR-UHFFFAOYSA-N 244.382 2.652 0 40 BFAB O=C1Nc2ccccc2/C1=C/c1cccnc1 6145744 ALVGMCFQOGIUFY-WQLSENKSSA-N 222.247 2.574 0 40 BFAB COc1cccc(Cc2ccncc2)c1OC 13283764 LGMKNVFZGXHPSC-UHFFFAOYSA-N 229.279 2.690 0 40 BFAB c1ccc(OCC[C@H]2CCCCN2)cc1 14632324 IGEAZUPXWIHNQZ-GFCCVEGCSA-N 205.301 2.598 0 40 BFAB O=C(O)[C@H](c1cccc(Cl)c1)N1CCCC1 16755262 DWMRMDBMHZTHLT-NSHDSACASA-N 239.702 2.562 0 40 BFAB Nc1cccc(COc2ccc(F)cc2)c1 19266741 KGXDFHZVDFLUTB-UHFFFAOYSA-N 217.243 2.987 0 40 BFAB in-vitro COc1cccc([C@@H]2NCCc3ccccc32)c1 19624691 NGPJOPHIUICRDB-INIZCTEOSA-N 239.318 2.930 0 40 BFAB CCCCN(CC)Cc1cccc(CN)c1 21951776 PCJUWWQVIRPNLZ-UHFFFAOYSA-N 220.360 2.767 0 40 BFAB in-vitro C[C@@H](NCc1ccco1)c1cccc(O)c1 22146855 VMKVAYZSGHHBDJ-SNVBAGLBSA-N 217.268 2.836 0 40 BFAB C[C@H](C(=O)Nc1cccc(Cl)c1)n1cccn1 24750663 OUIKTESKKNQKNF-SECBINFHSA-N 249.701 2.736 0 40 BFAB CCCCN[C@@H]1CCc2ccccc2C1 27860174 FSXXDNPGFQZQSR-CQSZACIVSA-N 203.329 2.934 0 40 BFAB COc1ccc(Cc2sc(N)nc2C)cc1 35250912 ZJRKFXRUGWHBCM-UHFFFAOYSA-N 234.324 2.633 0 40 BFAB CCCN[C@@H]1CCCN(Cc2ccccc2)C1 36904505 IQTNFERCZAPJFD-OAHLLOKOSA-N 232.371 2.651 0 40 BFAB in-vitro O=C1N=NC(=O)N1c1ccccc1Cl 39315206 LTHQAEZKCUHOPZ-UHFFFAOYSA-N 209.592 2.852 0 40 BFAB Cc1ccc(NC(=O)NC2CC2)c(Cl)c1 40525671 BZQNZCGVNBECBO-UHFFFAOYSA-N 224.691 2.932 0 40 BFAB CCOCCCNC(=O)c1cc2ccccc2o1 41590884 HDMSVYYPJHFBIW-UHFFFAOYSA-N 247.294 2.589 0 40 BFAB O=C(c1ccc(F)c(F)c1)c1ccccn1 43210492 MKGAISLAGNOFSW-UHFFFAOYSA-N 219.190 2.591 0 40 BFAB COC(=O)CCC(=O)c1c(C)cc(C)cc1C 43368598 DLEVGXHTRRDNNB-UHFFFAOYSA-N 234.295 2.748 0 40 BFAB COCCCN(C)[C@H](C)c1ccccc1OC 47886315 WNGOVLUBOPIUMZ-GFCCVEGCSA-N 237.343 2.725 0 40 BFAB c1ccc(CN2CCCC[C@@H]2CNC2CC2)cc1 53652026 NWFGATQHUHNXNZ-MRXNPFEDSA-N 244.382 2.793 0 40 BFAB C[C@@H](N)c1cccc(OC(F)(F)F)c1 61703536 XRRKIDIISISOKH-ZCFIWIBFSA-N 205.179 2.605 0 40 BFAB in-vitro CNc1ccc(N2CCC(C)CC2)cc1 62796638 WJXZRGVANREKBO-UHFFFAOYSA-N 204.317 2.965 0 40 BFAB C[C@@H](N[C@H]1CCCc2occc21)c1nccn1C 70443745 AEVWHCSRGYFHTI-PWSUYJOCSA-N 245.326 2.741 0 40 BFAB CC/C=C/COC(=O)c1scnc1C 71913748 PELINRFOEMVHAJ-SNAWJCMRSA-N 211.286 2.575 0 40 BFAB Cc1cc(O)ncc1[C@H]1CCCN1CC(C)C 72218144 QDLUJXRLUFPUAQ-CYBMUJFWSA-N 234.343 2.889 0 40 BFAB COc1ccc([C@H]2CCCCNC2)cc1 74934277 LMUYBXXGHQFWSY-LBPRGKRZSA-N 205.301 2.552 0 40 BFAB O=C(O)/C=C/c1c(F)cccc1Br 75902124 HCYOSOLLBXZCPJ-SNAWJCMRSA-N 245.047 2.686 0 40 BFAB Cn1ccc2cc([C@@H]3CCCN3)ccc21 82912670 JNUCZCNKKZIFFH-LBPRGKRZSA-N 200.285 2.603 0 40 BFAB O=C(C1CC1)N(C1CC1)C1Cc2ccccc2C1 95349138 ZMUGKWWRVHZGHZ-UHFFFAOYSA-N 241.334 2.555 0 40 BFAB Cc1ncc(Cn2cnc3ccccc32)s1 95955076 CGUFTBQDDZRCPU-UHFFFAOYSA-N 229.308 2.850 0 40 BFAB O=C(O)c1cc2c(Cl)nccc2s1 96028381 LVZKJIOAGUOVHK-UHFFFAOYSA-N 213.645 2.648 0 40 BFAB in-vitro Cc1[nH]ccc1C(=O)N1CCCCCCC1 98018778 SWBNJHRRRIEKQF-UHFFFAOYSA-N 220.316 2.729 0 40 BFAB COc1ccc([C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 100888400 PQZDRNSTQPNVIV-IMIFBBOLSA-N 244.290 2.686 0 40 BFAB CCCc1onc(C)c1C(=O)N1C[C@H]2CC[C@H]1C2 101445838 VHQSSBWVTKRSRN-QWRGUYRKSA-N 248.326 2.560 0 40 BFAB COc1ccccc1NC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2 102265382 HFGGAABAPHNSQQ-SDDRHHMPSA-N 243.306 2.846 0 40 BFAB Cc1ccc(F)c(C(=O)N2C[C@H]3CC[C@H]2C3)c1 107419652 KJFPWIUAECQRJD-QWRGUYRKSA-N 233.286 2.759 0 40 BFAB C[C@H](CN1CC[C@H](O)C1)c1cccc(Cl)c1 189681727 IXQQFBZPMSAQAL-MFKMUULPSA-N 239.746 2.510 0 40 BFAB C[C@H]1C[C@H](C)CC[C@@H]1NCC[C@@H](C)[S@@](C)=O 195560783 OJRBYTJFTMKNKF-QCPCCJPKSA-N 245.432 2.558 0 40 BFAB C[C@H]1C[C@H](CO)C[C@@H](C)N1Cc1ccccc1 252504393 APHDBYYXZFJYMF-AGGWBTHJSA-N 233.355 2.668 0 40 BFAB CC(=O)OC(C)(C)C(=O)c1cccc(F)c1C 575357314 FWQYIPAKPATHBY-UHFFFAOYSA-N 238.258 2.659 0 40 BFAB CC1(C)CC[C@H](n2cnc3nccnc32)C1 629385749 CKKQMTQLRPNWKA-VIFPVBQESA-N 216.288 2.578 0 40 BFAB C[C@H]1CCCC[C@@H]1NC(=O)c1ccccc1 971903 BDVZXZBKLDUQNY-AAEUAGOBSA-N 217.312 2.995 0 40 BFAB O=C(O)CSc1ccn(Cc2ccccc2)c1 1728152 BDTDUMYBCTVDNO-UHFFFAOYSA-N 247.319 2.713 0 40 BFAB in-vitro O=C(O)c1cc(F)c(F)cc1C(F)(F)F 2382335 SXHRHFQRQJSVFH-UHFFFAOYSA-N 226.100 2.682 0 40 BFAB O=C1Nc2ccccc2/C1=C/c1cccc(O)c1 2616192 VHVCSZNJCUZDOG-LCYFTJDESA-N 237.258 2.885 0 40 BFAB biogenic COC(=O)c1cccc(N2CCCCC2)c1C 4245071 UQFJHTZCIQNPMF-UHFFFAOYSA-N 233.311 2.772 0 40 BFAB CCOc1ncnc2c1[nH]c1cccc(OC)c12 5562343 CBXSMEJWSKKLHW-UHFFFAOYSA-N 243.266 2.518 0 40 BFAB O=C(Nc1nccs1)C1(c2ccccc2)CC1 7654694 MUALFDFPKHNDAO-UHFFFAOYSA-N 244.319 2.813 0 40 BFAB C[C@@H](N)c1ccc(F)c(Br)c1 12506519 GLMDQQAMANPGCU-RXMQYKEDSA-N 218.069 2.608 0 40 BFAB in-vitro C[C@H](NC(=O)C1CCC1)c1ccc(F)cc1 12913555 UKFDGECPWLOQLX-VIFPVBQESA-N 221.275 2.803 0 40 BFAB O=C(CSc1ccc(Cl)cc1)N1CCC1 12913966 WNGJFMFMZSMXGJ-UHFFFAOYSA-N 241.743 2.664 0 40 BFAB CN(Cc1cccc(F)c1)C(=O)c1ccoc1 12987306 BXWQQAADAPIBST-UHFFFAOYSA-N 233.242 2.691 0 40 BFAB Cc1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1F 15084701 COJLTFCILGNGNW-WPRPVWTQSA-N 207.248 2.729 0 40 BFAB COc1ccc(OC(F)(F)F)cc1[C@@H](C)O 15442990 DKUPMKWSJITPFC-ZCFIWIBFSA-N 236.189 2.647 0 40 BFAB CCN1CCC(Nc2ccccc2OC)CC1 19901767 YQNQJRUMNYVVAZ-UHFFFAOYSA-N 234.343 2.591 0 40 BFAB in-vitro COCCCN[C@H](C)c1ccc(C)cc1 20142293 HZMDGHYWGKGPAP-GFCCVEGCSA-N 207.317 2.682 0 40 BFAB Cc1ccc(N[C@@H](C)C(=O)NC(C)(C)C)cc1 20313099 ZTFSAOUYEYWHPU-NSHDSACASA-N 234.343 2.710 0 40 BFAB Cc1cccc(NC(=O)N[C@H](C)C2CC2)c1 23584918 SFIHLXCIKRERFR-SNVBAGLBSA-N 218.300 2.915 0 40 BFAB CC[C@H](Oc1cccc(C)c1)C(=O)N1CCCC1 30862782 FTWVECDFTFUMCQ-AWEZNQCLSA-N 247.338 2.775 0 40 BFAB C[C@H](O)c1ccccc1NC(=O)c1ccccc1 34082871 MUTYBRCSBLSQCI-NSHDSACASA-N 241.290 2.992 0 40 BFAB O=C(O)c1nn(C2CCCC2)c2ccccc12 38976511 YOZGRUDRUTYFDN-UHFFFAOYSA-N 230.267 2.850 0 40 BFAB Cc1ccccc1NC(=O)[C@H](C)OCC(C)C 40521124 QYRSETIZDZOFAJ-LBPRGKRZSA-N 235.327 2.995 0 40 BFAB CC(C)OCC(=O)Nc1cccc2ncccc12 49104587 PFNXVDBSJYWOPM-UHFFFAOYSA-N 244.294 2.598 0 40 BFAB CC(C)[C@@H](O)c1ccc2ccccc2n1 63075744 UTOMIKALKKLEJE-CYBMUJFWSA-N 201.269 2.924 0 40 BFAB CCCN[C@H]1C[C@H](OCC)C12CCCC2 68577387 PXXQEHOZPYIFER-RYUDHWBXSA-N 211.349 2.724 0 40 BFAB in-vitro Clc1cccc(Cl)c1CC1CNC1 77291430 PBXBJFQQDWTBIH-UHFFFAOYSA-N 216.111 2.755 0 40 BFAB in-vitro COC(=O)c1cc(-c2ccc(F)cc2)ccc1N 82768098 OOKUTMZSIGOCSB-UHFFFAOYSA-N 245.253 2.862 0 40 BFAB O=C(O)C1(Cc2ccc(F)cc2)CCC1 83570095 XRBNEEQKZXIPJN-UHFFFAOYSA-N 208.232 2.623 0 40 BFAB Fc1cnc(Cl)nc1-c1ccsc1 85789282 WJMIELNFANEYCB-UHFFFAOYSA-N 214.652 2.998 0 40 BFAB Cc1cccc([C@@H](O)CN[C@H](C)c2ccco2)c1 90520862 IDBIVWJNBLPDNG-OCCSQVGLSA-N 245.322 2.972 0 40 BFAB C[C@H](NCCCn1cccn1)c1cccc(F)c1 95419839 FLFPOTAWUIZBMF-LBPRGKRZSA-N 247.317 2.763 0 40 BFAB CC(C)CCOc1ccc(F)cc1CCO 95731996 FWVDAAINIBUERR-UHFFFAOYSA-N 226.291 2.785 0 40 BFAB COCCCCCS[C@@H]1CCCOC1 96001699 KROSJQSHADMLAM-LLVKDONJSA-N 218.362 2.715 0 40 BFAB CC(C)Cn1ccnc1CNc1ncccc1F 96483036 POSMXFYVUBRSHE-UHFFFAOYSA-N 248.305 2.685 0 40 BFAB CN[C@H]1CC[C@H](Cc2ncccc2C)CC1 257327269 XASUUGNTMFGXDP-JOCQHMNTSA-N 218.344 2.711 0 40 BFAB COCCNc1cncc(-c2ccsc2)c1 521398585 RWOYHTGXJXGHMI-UHFFFAOYSA-N 234.324 2.868 0 40 BFAB O[C@H](c1cccc(OC(F)F)c1)C(F)(F)F 1536112014 GVGZSAZULCWTII-SSDOTTSWSA-N 242.143 2.884 0 40 BFAB CN1[C@H]2CC[C@@H]1CC(NC1CCCCC1)C2 27588 WGUYSKWWJNQJSC-AGUYFDCRSA-N 222.376 2.534 0 40 BFAB CC(C)(C)c1nc(=S)nc2sccn12 150348 UETGHJPHYFTSMX-UHFFFAOYSA-N 225.342 2.818 0 40 BFAB O=C(CF)Nc1ccc2ccccc2c1 1672790 UTFHZZKBYATXIY-UHFFFAOYSA-N 203.216 2.748 0 40 BFAB Oc1ccc(Cn2cnc3ccccc32)cc1 4945309 JOBBIFQOZQMZPZ-UHFFFAOYSA-N 224.263 2.790 0 40 BFAB O=C(/C=C/c1ccc(F)cc1)Nc1cccnc1 5394893 UTSMVXSXKGPKGV-VMPITWQZSA-N 242.253 2.873 0 40 BFAB COC(=O)CSCc1cccc(Cl)c1 6452833 WZTWRSCKUSYLKI-UHFFFAOYSA-N 230.716 2.746 0 40 BFAB O=C(Nc1nnc(C2CC2)s1)[C@@H]1CC=CCC1 6879165 IQGNFIUBIBQTOY-MRVPVSSYSA-N 249.339 2.710 0 40 BFAB CNC(=O)c1ccc(C2SCCS2)cc1 9376628 XPZYOWGATXLVJM-UHFFFAOYSA-N 239.365 2.525 0 40 BFAB O=C(Nc1cccc(F)c1)[C@@H]1CC1(Cl)Cl 10024693 FXUZDARKUSVZEV-QMMMGPOBSA-N 248.084 2.958 0 40 BFAB Clc1ncc(Br)c2[nH]ccc12 14986233 QVOWRZHOWQAPFS-UHFFFAOYSA-N 231.480 2.979 0 40 BFAB in-vitro CCCCCCSc1n[nH]c(O)nc1=S 16927017 HEJDPXXXNHEZPP-UHFFFAOYSA-N 245.373 2.912 0 40 BFAB Cc1ccc(N)cc1NC(=O)c1cccc(F)c1 20343213 BEQRVOULZXRKOP-UHFFFAOYSA-N 244.269 2.969 0 40 BFAB COc1ccccc1-c1cc(Cl)ncn1 26420725 DWDRJPOECQRJDL-UHFFFAOYSA-N 220.659 2.806 0 40 BFAB CONC(=O)c1ccccc1Oc1ccccc1 32848396 LJWJCEYDTVKNNS-UHFFFAOYSA-N 243.262 2.770 0 40 BFAB CC(C)(C(=O)O)c1c(F)cccc1Cl 33487182 FSCJUPKYKKZCPL-UHFFFAOYSA-N 216.639 2.841 0 40 BFAB CC(C)(C)C(=O)COCc1ccccc1 39296261 HBCXTFWQNIVPBV-UHFFFAOYSA-N 206.285 2.818 0 40 BFAB Cn1ccc(=O)c2cc(C(F)(F)F)ccc21 40164092 SAGIBXWFIRWFQE-UHFFFAOYSA-N 227.185 2.557 0 40 BFAB CC[C@H](NCC1(O)CCCCC1)C(C)C 42588511 FPOXBDPMMPGOHN-LBPRGKRZSA-N 213.365 2.706 0 40 BFAB O=C(Cc1ccsc1)NCc1ccsc1 42938114 QDTMUNNGDDTELI-UHFFFAOYSA-N 237.349 2.669 0 40 BFAB CC(C)C[C@H](C)N(C)C(=O)NCc1ccco1 44917376 QNDIVQWQRLFNMR-NSHDSACASA-N 238.331 2.856 0 40 BFAB Cc1ccc(NC(=O)NCc2ccoc2)cc1 47697697 LEKUHBYNLFKCEP-UHFFFAOYSA-N 230.267 2.910 0 40 BFAB Nc1ccc(Cl)cc1OCC(F)F 51608918 GSQNKCGPPXQHQB-UHFFFAOYSA-N 207.607 2.566 0 40 BFAB in-vitro COc1ccc2ccccc2c1[C@@H]1C[C@@H]1CN 54586932 VLAAANYQUSUYBA-DGCLKSJQSA-N 227.307 2.911 0 40 BFAB COc1cccc(CCC(=O)C(F)(F)F)c1 57520012 JMXPEQSRMJUTGY-UHFFFAOYSA-N 232.201 2.759 0 40 BFAB CCCN1CCC[C@@H]1c1cccnc1N(C)C 72212657 PZTCHVPFPJTCLP-CYBMUJFWSA-N 233.359 2.695 0 40 BFAB Cc1cc(CN)cnc1Sc1ccccc1 72222140 RXDFVDOWJPFQEZ-UHFFFAOYSA-N 230.336 3.000 0 40 BFAB N[C@H]1CCCC[C@H]1NCc1cccc(Cl)c1 72411146 JHYUHPXZSRIESE-QWHCGFSZSA-N 238.762 2.700 0 40 BFAB COC(=O)c1cc(Cl)c(Cl)s1 82046649 GOBRIDHOJYOFTD-UHFFFAOYSA-N 211.069 2.842 0 40 BFAB CCN(CC)C(=O)NC[C@@H](C)c1ccccc1 84770966 DMDHQBQBDXYEJS-GFCCVEGCSA-N 234.343 2.842 0 40 BFAB CC1(C)C=Cc2cc3ccc(=O)oc3c(O)c2O1 86000044 IJOQSHYTDUMDRC-UHFFFAOYSA-N 244.246 2.683 0 40 BFAB biogenic CO[C@@H]1CCCCCN1C(=O)OC(C)(C)C 95634875 WKVVLASJYFAZJW-SNVBAGLBSA-N 229.320 2.770 0 40 BFAB in-vitro CO[C@@H]1CCN(CC2CC2)[C@H]1Cc1ccccc1 96061580 QRGKSKCYEGIMAT-JKSUJKDBSA-N 245.366 2.728 0 40 BFAB c1cc([C@H]2CCCCN2)n(C2CCCC2)n1 96509764 FUWWIIUTJVBQFA-GFCCVEGCSA-N 219.332 2.813 0 40 BFAB Cc1ccccc1N1C(=O)[C@H]2CCCC[C@@H]2C1=O 101209827 BKCOXCQCSDGIOZ-RYUDHWBXSA-N 243.306 2.675 0 40 BFAB C[C@@H](CNC[C@H]1C[C@H]2C=C[C@H]1C2)c1ccncc1 101544123 YHVCTOFQMNKGNZ-DARAHFNDSA-N 242.366 2.987 0 40 BFAB CON1C(=O)[C@@H](c2ccccc2)c2ccccc21 104269332 DKMGIOVHLOPBBU-AWEZNQCLSA-N 239.274 2.727 0 40 BFAB CN(C)C(=O)c1ccc2sc(Cl)nc2c1 116993125 JQAZAEWPYOTTHC-UHFFFAOYSA-N 240.715 2.652 0 40 BFAB C[C@H](NN)c1c(Cl)ccc(F)c1Cl 199535420 ODNCQNJEDVRBLZ-BYPYZUCNSA-N 223.078 2.657 0 40 BFAB CCOc1ccc(Cl)c2sc(NN)nc12 216877671 AIMPYLMSICRGOB-UHFFFAOYSA-N 243.719 2.634 0 40 BFAB COc1ccc(CNCc2ccc(C)[nH]2)cc1 226018839 WDWNRTJNHOWSMO-UHFFFAOYSA-N 230.311 2.622 0 40 BFAB CCn1nc(C)cc1NCCc1ccccc1 256052025 LOVFEZVRZVSIHO-UHFFFAOYSA-N 229.327 2.866 0 40 BFAB CC(C)c1cc(N)c(N)c(Br)c1 575423574 ORHXVPLGNQCWPG-UHFFFAOYSA-N 229.121 2.737 0 40 BFAB c1c(C2CC2)nn2c1CN(CC1CCCC1)CC2 575607417 OMPDNTPICCGQOQ-UHFFFAOYSA-N 245.370 2.766 0 40 BFAB O=C(O)c1c(OC2CC2)cnc2cc(F)ccc12 685937127 LENDZVKQFGMRHH-UHFFFAOYSA-N 247.225 2.613 0 40 BFAB Clc1cc2c(Cl)nc(Cl)nc2cn1 1857777048 PRLOEVRFKDKTKT-UHFFFAOYSA-N 234.473 2.985 0 40 BFAB CCOC(=O)c1oc2ccccc2c1NC(C)=O 51712 WGIOSLQHYHWVLS-UHFFFAOYSA-N 247.250 2.568 0 40 BFAB CC(C)(C)OC(=O)N1[C@H]2CCCC(=O)[C@@H]1CC2 481822 VLBIITJVZKIBAL-UWVGGRQHSA-N 239.315 2.508 0 40 BFAB O=C1CCC[C@@H](CCc2ccccc2)O1 1563517 AMEMWRWJHRMMAS-LBPRGKRZSA-N 204.269 2.715 0 40 BFAB CCCC(=O)O[C@H]1CCC[C@@H]1OC(=O)CCC 1677881 SPJZAVVYUONOPU-QWRGUYRKSA-N 242.315 2.594 0 40 BFAB C1=CO[C@@H](C2Nc3ccccc3N2)CC1 1679575 XXHFEOWVGSHUNF-LLVKDONJSA-N 202.257 2.543 0 40 BFAB CCCCNC(=O)c1ccc(Cl)cc1O 1846512 ZGJHIFYEQJEUKA-UHFFFAOYSA-N 227.691 2.576 0 40 BFAB in-man Cc1c(C(=O)O)[nH]c2c(Cl)cccc12 4384483 UJVTZVNZWSRCNL-UHFFFAOYSA-N 209.632 2.828 0 40 BFAB in-vitro CC(=O)CC(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 5809896 QSVQIPXQOCAWHP-CYZMBNFOSA-N 240.343 2.970 0 40 BFAB biogenic O=c1c(Cl)nc(Cl)cn1-c1ccccc1 6667119 LJWHJYYNMORUIH-UHFFFAOYSA-N 241.077 2.539 0 40 BFAB CC(=O)NC(=S)Nc1ccccc1C(C)C 9064203 FEYCFFCJDSSYPW-UHFFFAOYSA-N 236.340 2.643 0 40 BFAB Cc1c(-c2nnc(S)n2C)oc2ccccc12 9928061 BJPNHFZUJJMRFE-UHFFFAOYSA-N 245.307 2.825 0 40 BFAB Cc1ccc(OCCCC(=O)O)cc1C 11952944 XCDOHVHQWSFAEN-UHFFFAOYSA-N 208.257 2.547 0 40 BFAB in-vitro Cc1cc(OC(F)(F)F)cc(C(=O)O)c1 16158953 OCLLNMRZSFBMBJ-UHFFFAOYSA-N 220.146 2.592 0 40 BFAB O[C@@H](c1ccccn1)c1ccccc1Cl 17290002 JJLLLHORCIVGMC-GFCCVEGCSA-N 219.671 2.817 0 40 BFAB CCCc1nc2c3ccccc3nc(S)n2n1 17957971 PPXCEZVQOWJWCF-UHFFFAOYSA-N 244.323 2.519 0 40 BFAB CC1CCN(Cc2nc3ccccc3[nH]2)CC1 19889419 SCNGLFLRAHKHFV-UHFFFAOYSA-N 229.327 2.795 0 40 BFAB COc1cc(CO)ccc1OCCC(C)C 20032058 NAHMCBMHYFECKF-UHFFFAOYSA-N 224.300 2.612 0 40 BFAB O=C(O)c1cc2ccc(OC(F)(F)F)cc2[nH]1 20281000 FOJBKFGWDZMUCC-UHFFFAOYSA-N 245.156 2.765 0 40 BFAB Cc1ccc(N[C@H](C)C(=O)NC(C)(C)C)cc1 20313095 ZTFSAOUYEYWHPU-LLVKDONJSA-N 234.343 2.710 0 40 BFAB Nc1nc(-c2ccc(O)c(Cl)c2)cs1 27526315 HRMLERQJJRGYMU-UHFFFAOYSA-N 226.688 2.751 0 40 BFAB Cc1ccc2c(c1)[C@H]1[C@H]([C@H]3CC[C@@H]1C3)[S@](=O)N2 36498846 SNZUAMJDPKNTCJ-SOCUYPDXSA-N 247.363 2.966 0 40 BFAB C[C@H](Cc1cccs1)NC(=O)C(C)(C)C 38935403 PXAUAWQMELQNEM-SECBINFHSA-N 225.357 2.841 0 40 BFAB COc1ccccc1COCCC1CCNCC1 42771840 YYLRUQAVHSRTJH-UHFFFAOYSA-N 249.354 2.602 0 40 BFAB C[C@H]1CN(Cc2cccc(Cl)c2)[C@H](C)CO1 45784350 UEEJOQPFVHHBPB-MNOVXSKESA-N 239.746 2.949 0 40 BFAB COc1ccc(C(=O)O)cc1COCC(C)C 50131796 NLSSYEANQWCKEF-UHFFFAOYSA-N 238.283 2.566 0 40 BFAB O=C(Nc1ccc(=S)[nH]n1)c1ccc(F)cc1 61966013 BHJBZWVDSHAJKC-UHFFFAOYSA-N 249.270 2.531 0 40 BFAB CNc1cc(C)c(C(=O)c2ccccc2)cn1 72223055 CWMUEPLNBNLWTE-UHFFFAOYSA-N 226.279 2.663 0 40 BFAB Cc1ncccc1NC(=O)c1ccnc(Cl)c1 74239227 NMFXKBNUMGYFBJ-UHFFFAOYSA-N 247.685 2.691 0 40 BFAB Cn1c(C=O)ccc1CC1CCCCC1 75425613 USRXHNCVELNTLU-UHFFFAOYSA-N 205.301 2.960 0 40 BFAB CC(C)(C)C(=O)Nc1n[nH]c2cccc(F)c12 82277433 JGBOVNPOIVNOQF-UHFFFAOYSA-N 235.262 2.687 0 40 BFAB C[C@H]1CCC(=O)[C@@H](Cc2ccncc2)C1 86354847 BRQVPXAOCUMTRR-CMPLNLGQSA-N 203.285 2.629 0 40 BFAB C1=CC[C@@H]2CN(c3nc(C4CC4)ns3)C[C@H]2C1 89598201 XLIZNSJDJQDVLO-GHMZBOCLSA-N 247.367 2.818 0 40 BFAB CC(C)(O)Cc1ccc(Cl)c(F)c1 95729109 SEFGOVNSFQSMOL-UHFFFAOYSA-N 202.656 2.793 0 40 BFAB O=C(O)c1cnc(C2CC2)nc1-c1ccccc1 96517108 UDDRDXXXKGCLTG-UHFFFAOYSA-N 240.262 2.719 0 40 BFAB CCC(=O)Nc1nc2cc(F)ccc2n1CC 97085842 FXMWZONNQKBFSL-UHFFFAOYSA-N 235.262 2.544 0 40 BFAB Cc1cccc(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)n1 100538826 BFYXIFPDPBGSPZ-IJLUTSLNSA-N 230.311 2.765 0 40 BFAB CC[C@@H]1C(=O)N(c2ccc(C)cc2)N=C1C 103316152 CSWKRPDFXPKSRN-LBPRGKRZSA-N 216.284 2.744 0 40 BFAB CCC(CC)CNC(=O)N[C@@H](C)c1cccnc1 105087620 UTLBOVDSUGBPIS-NSHDSACASA-N 249.358 2.878 0 40 BFAB O/N=C1\CCc2c(Br)cccc21 144533068 ZAANKHXRIRMKFF-PKNBQFBNSA-N 226.073 2.574 0 40 BFAB CCc1nc2c(s1)[C@@H](C(C)C)NCC2 218331584 JUHQHJJUTQUBBE-SNVBAGLBSA-N 210.346 2.548 0 40 BFAB COc1ccc(Cl)cc1N[C@H]1CCC[C@@H]1N 218880564 FRXLKWXWXMYKMW-UWVGGRQHSA-N 240.734 2.640 0 40 BFAB Cc1ccc(C[C@H](OCC(C)C)C(=O)O)cc1 220686979 SHACTXFBFXPGBP-ZDUSSCGKSA-N 236.311 2.663 0 40 BFAB COCOc1ccc(F)c(F)c1Cl 221496512 FGFLTBDTCYYEKX-UHFFFAOYSA-N 208.591 2.601 0 40 BFAB O=C(NC1CC1)C(F)(F)Sc1ccccc1 256050653 FZVOVSGBSUJRFF-UHFFFAOYSA-N 243.278 2.650 0 40 BFAB Cc1c(C2CC2)[nH]c2cccc(F)c2c1=O 685938119 CRCQZCKVJDBXRW-UHFFFAOYSA-N 217.243 2.853 0 40 BFAB Cc1ccc(N(C)Cc2nncs2)c(F)c1 930720769 IDRVKNUGSKKMMC-UHFFFAOYSA-N 237.303 2.622 0 40 BFAB O=C(Nc1ccccn1)c1ccc(Cl)cc1 40523 XMEYAYCVRHNECN-UHFFFAOYSA-N 232.670 2.987 0 40 BFAB C[C@H]1CCO[C@@H](c2coc3ccccc3c2=O)O1 482562 ADXCKCOKWMDXRE-LKFCYVNXSA-N 246.262 2.617 0 40 BFAB CC(C)CC(=O)Nc1ccc2oc(=O)ccc2c1 558352 KQAXJGVXWLTMIG-UHFFFAOYSA-N 245.278 2.778 0 40 BFAB CSc1cc(SC)c(SC)nn1 1570379 MAHKWTOJUHQVKI-UHFFFAOYSA-N 218.372 2.642 0 40 BFAB C[C@@H]1CC(C)(C)N[C@H](c2ccccc2)O1 1678145 LIYXZGJOUFBNHP-PWSUYJOCSA-N 205.301 2.862 0 40 BFAB Cc1ccc(Nc2cn[nH]c(=S)n2)c(C)c1 2686098 JQAXURLUAHEBKY-UHFFFAOYSA-N 232.312 2.895 0 40 BFAB O=C1C[C@@H]2CCCC[C@H]2C12SCCS2 5975891 WGGVKUSALOMDKF-DTWKUNHWSA-N 228.382 2.942 0 40 BFAB CC(C)NC(=S)Nc1cccc(F)c1 7558631 YIACOKQLXALLOS-UHFFFAOYSA-N 212.293 2.521 0 40 BFAB S=C(NCCc1ccccc1)c1ccco1 9188095 IBLHUBLKFJFJCH-UHFFFAOYSA-N 231.320 2.787 0 40 BFAB CC[C@@H](C)NC(=O)N[C@H]1CCCC[C@@H]1C 13745672 NZTAKZCQLDQXAZ-AXFHLTTASA-N 212.337 2.663 0 40 BFAB CC(=O)c1ccc(NC(=O)Nc2ccon2)cc1 16972968 YNDNQBXBUGDXLO-UHFFFAOYSA-N 245.238 2.521 0 40 BFAB CC1CCN([C@@H](CN)c2cccc(F)c2)CC1 19255908 SKWHWOWBDCPJGZ-AWEZNQCLSA-N 236.334 2.557 0 40 BFAB COc1ccc(CC(=O)N(C)C2CCCC2)cc1 20489162 LDPGICOHLCFZSR-UHFFFAOYSA-N 247.338 2.639 0 40 BFAB C[C@H]1CCCCN1CCCNc1ccccn1 20563555 POPCONBJMDKGOL-ZDUSSCGKSA-N 233.359 2.758 0 40 BFAB COC[C@H](C)NC(=O)c1cccc2ccccc12 22624409 VVEOUAWLHUEOGD-NSHDSACASA-N 243.306 2.605 0 40 BFAB COc1cccc(CNC(=O)[C@@H]2CC=CCC2)c1 25422553 JIECKBPOWUGXFY-CYBMUJFWSA-N 245.322 2.668 0 40 BFAB CCC(CC)C(=O)NCCc1nc(C)cs1 31848992 FXBGXHCMIZRUBD-UHFFFAOYSA-N 240.372 2.546 0 40 BFAB COc1cc([C@H](C)O)ccc1OCC(C)C 35626466 FNVOPQCJBPYOAQ-JTQLQIEISA-N 224.300 2.783 0 40 BFAB CC[C@H](C)C(=O)NCc1nc2ccccc2s1 36656979 LNRWHXUBLJPBMC-VIFPVBQESA-N 248.351 2.959 0 40 BFAB CC(C)c1ccc2[nH]cc(CCO)c2c1 39185899 IWWBADRNFBIPJK-UHFFFAOYSA-N 203.285 2.826 0 40 BFAB CC(C)[C@H](C)NC(=O)CCc1cccc(F)c1 40476643 QRWJDZUFSHDSEY-NSHDSACASA-N 237.318 2.919 0 40 BFAB CCN1C(=O)c2ccccc2N[C@H]1c1ccco1 42186111 SPZOCALBCXLSBX-CYBMUJFWSA-N 242.278 2.866 0 40 BFAB CCC(=O)NCC12CC3CC(CC(C3)C1)C2 44565776 FSESPPKYENFSMQ-UHFFFAOYSA-N 221.344 2.729 0 40 BFAB CCOC(=O)C[C@H](NC)c1ccc(Cl)cc1 72210268 FFURIXAMZAMCQH-NSHDSACASA-N 241.718 2.554 0 40 BFAB Nc1c(Cl)cc(Cl)c2c1CCO2 72233310 QEKHZKKHFIBEAV-UHFFFAOYSA-N 204.056 2.511 0 40 BFAB Cc1cc(C)cc(-c2nn3c(C)nnc3s2)c1 73638556 RISBLJGATOWNJT-UHFFFAOYSA-N 244.323 2.778 0 40 BFAB O=C(Cc1cccc(O)c1)Nc1ccsc1 83142174 ZHBPRVVNJZDOEH-UHFFFAOYSA-N 233.292 2.635 0 40 BFAB O=C(O)c1coc2ccc(Br)cc12 84061210 MZQBOTQXGIKNEO-UHFFFAOYSA-N 241.040 2.894 0 40 BFAB COC(=O)C[C@H](C)CC(=O)c1cccc(C)c1 95728817 SODPTMWJMNMCHW-LLVKDONJSA-N 234.295 2.767 0 40 BFAB CC(C)CCOc1c(F)cc(CCO)cc1F 95732022 TXQHWPBZMRVLSO-UHFFFAOYSA-N 244.281 2.925 0 40 BFAB Cc1cc(N2CCCCC2)cc(C)c1N 106883653 SKQZVAPTPJDAMB-UHFFFAOYSA-N 204.317 2.876 0 40 BFAB Cc1ccc([C@@H](NN)c2cccc(C)c2)cc1 161804804 DYXKAPYWSJKTAD-OAHLLOKOSA-N 226.323 2.856 0 40 BFAB Clc1ccc(N2C[C@H]3CC[C@H]2C3)nc1 250091664 QHSDKRZRCYIRNW-WPRPVWTQSA-N 208.692 2.724 0 40 BFAB C[C@@H]1CCCN([C@H](CN)c2cccc(F)c2)C1 251569953 AQJWATPQMKGMEX-BXUZGUMPSA-N 236.334 2.557 0 40 BFAB Cc1cn(C)nc1NCc1cc(F)ccc1F 256051992 LKYVZXJXHZFONU-UHFFFAOYSA-N 237.253 2.619 0 40 BFAB CC[C@@H](C)n1ccc(NCc2cnn(CC)c2)n1 256052583 NXOXBOVADYOPSN-LLVKDONJSA-N 247.346 2.683 0 40 BFAB CCCn1cc(NCc2cccn2C)c(C)n1 256054660 XFQGJRSYBUWABW-UHFFFAOYSA-N 232.331 2.552 0 40 BFAB Cc1ccnc(O[C@@H]2CCc3ccccc32)n1 585652336 XLKQLZJJWQPEFQ-CYBMUJFWSA-N 226.279 2.851 0 40 BFAB CNC(=O)N(C1=NCCCCC1)c1ccccc1 238555 PEQFCHVYEJXSFA-UHFFFAOYSA-N 245.326 2.805 0 40 BFAB Clc1ccc(CNC[C@@H]2CCCO2)cc1 286315 SDLUZQHCUUASSV-LBPRGKRZSA-N 225.719 2.609 0 40 BFAB in-vitro Cc1csc(Nc2ccc(C(=O)O)cc2)n1 3218377 VWQMNWDBMGYALO-UHFFFAOYSA-N 234.280 2.893 0 40 BFAB CC(C)[C@H]1O[C@H]2OCCC[C@H]2[C@@H](C(C)C)O1 4428903 UJXBOBIXMAERGY-UMSGYPCISA-N 228.332 2.793 0 40 BFAB O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1c1ccccc1 4769260 NNUSVTIAASPYFL-VOAKCMCISA-N 216.280 2.901 0 40 BFAB CCN(CC)C[C@H](O)CCCC(C)C 5573056 XYGPUTCVGQQJOU-GFCCVEGCSA-N 201.354 2.515 0 40 BFAB N[C@@H]1CCc2c1ccc(Cl)c2Cl 6091781 XERJYFHLXFCWRN-MRVPVSSYSA-N 202.084 2.939 0 40 BFAB in-vitro CC(C)(C)c1ccc([C@@H](O)CCC(=O)O)cc1 9280475 HRDCKZDIDSYJEJ-LBPRGKRZSA-N 236.311 2.882 0 40 BFAB C[C@@H]1CCCCN1C(=O)c1ccccc1 11536308 VHDKHXDKOZGPPK-LLVKDONJSA-N 203.285 2.701 0 40 BFAB CCOc1ccccc1[C@@H]1C[C@H]1[C@@H](C)N 20392367 MGOCNVGBTKLNMA-USWWRNFRSA-N 205.301 2.536 0 40 BFAB Cc1nccnc1-c1cccc(-c2cc[nH]n2)c1 20453796 VFFRDCGSBALFLY-UHFFFAOYSA-N 236.278 2.842 0 40 BFAB Cc1cccc(CN[C@H](C)CN2CCCCC2)c1 35258856 GZTPONIQMJPSRD-OAHLLOKOSA-N 246.398 2.959 0 40 BFAB CSc1ccc(CNc2cnn(C)c2)cc1 35737536 JEXROMIATROMSH-UHFFFAOYSA-N 233.340 2.754 0 40 BFAB C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1 36673388 UBPNZKDCPIULKA-LDYMZIIASA-N 245.244 2.755 0 40 BFAB in-vitro Cc1ccc(C(=O)N(C)Cc2ccsc2)o1 39981852 QBTFQOSUUFMSFK-UHFFFAOYSA-N 235.308 2.922 0 40 BFAB Cn1c(SC[C@@H]2CCCO2)nc2ccccc21 41101296 BFFOZUZBTOKLOB-JTQLQIEISA-N 248.351 2.844 0 40 BFAB CC(=O)Oc1ccccc1C(=O)c1cccs1 43210679 JMWYQBVAUFUDAZ-UHFFFAOYSA-N 246.287 2.904 0 40 BFAB COc1cccc(C(=O)c2ncccc2C)c1 43616278 PZTBRZYGPOYGQO-UHFFFAOYSA-N 227.263 2.630 0 40 BFAB N[C@H](CC(=O)O)c1cc(-c2ccccc2)cs1 44217074 NQAQVJPJEUSZQM-LLVKDONJSA-N 247.319 2.890 0 40 BFAB O[C@@H]1C[C@H]2C=C[C@@H]3C=C(c4ccccc4)[C@@H]1[C@H]32 45070840 CFWGFWXYQMMSFE-JLHFOLKXSA-N 224.303 2.883 0 40 BFAB C[C@H]1C[C@@H]1c1ccc(CN(CCCO)C2CC2)o1 51183314 BZHQNDUQWFNPDE-FZMZJTMJSA-N 249.354 2.750 0 40 BFAB C[C@@H]1CNCCN1Cc1ccc(C(C)(C)C)cc1 54371928 UHRRESGZMPRXMP-CYBMUJFWSA-N 246.398 2.778 0 40 BFAB C/C(=C\C(=O)N1CCO[C@H]2CCCC[C@@H]21)C1CC1 55422452 WWXCVJMHLPVYGK-NKVPIJFCSA-N 249.354 2.513 0 40 BFAB COCCN1CCC[C@H]1c1ccc(C)cc1 65621850 OQXLQGWONHVISZ-AWEZNQCLSA-N 219.328 2.778 0 40 BFAB Cc1ccccc1[C@](C)(CN)N1CCCCC1 70453399 ISUVNSUWUKPIGJ-HNNXBMFYSA-N 232.371 2.655 0 40 BFAB Cc1ccc(-c2cnc(C=O)o2)cc1C 72219828 BOLOCMNQMRDTNH-UHFFFAOYSA-N 201.225 2.771 0 40 BFAB CC(=O)Nc1cccc(Cn2cnc(C)c2C)c1 72281954 LHEVRFBDGPWVAU-UHFFFAOYSA-N 243.310 2.507 0 40 BFAB Cc1ccc(Cc2ccc(C=O)n2C)cc1 75425621 XITIUXDZEJOLHR-UHFFFAOYSA-N 213.280 2.737 0 40 BFAB CCC[C@@H](O)c1nc2ccccc2n1CC 76555561 MLDDUPFHRVWYAI-GFCCVEGCSA-N 218.300 2.890 0 40 BFAB Cc1ccc(Cl)nc1CC(=O)OC(C)(C)C 95837027 FGDTYRCTJWKWLS-UHFFFAOYSA-N 241.718 2.928 0 40 BFAB CC(C)Oc1cc(Cl)sc1C(=O)O 96510905 GUQOQDHHRYBPPJ-UHFFFAOYSA-N 220.677 2.887 0 40 BFAB CCc1ccc(C[C@H](C(=O)O)N(CC)CC)cc1 107843814 OOEHOIVUDPRXHX-CQSZACIVSA-N 249.354 2.587 0 40 BFAB CCC(=O)NCCSCc1cccc(C)c1 223081439 PXBGATSFXNKZBH-UHFFFAOYSA-N 237.368 2.754 0 40 BFAB O=C(O)[C@H]1C[C@H]2C[C@H]1C1(C2)SCCCS1 242575057 NQHGJCNDFGOZFI-XHNCKOQMSA-N 244.381 2.684 0 40 BFAB CC(C)=C(F)[C@H]1CC(C)=C(F)[C@@H](O)O1 261828106 AGNVOCRJMUANDV-XCBNKYQSSA-N 204.216 2.601 0 40 BFAB CCOC(=O)c1ccc(C(=O)C=C(C)C)o1 390140572 OLHMJEMEPCNEIM-UHFFFAOYSA-N 222.240 2.605 0 40 BFAB CC[C@@H](C)n1ccc(COCC(F)F)n1 408715841 FOGHGWVILMFEFG-MRVPVSSYSA-N 218.247 2.636 0 40 BFAB CC(C)c1ccc(C(F)(F)F)nc1N 2049305443 LLLPMBBOCDVXRP-UHFFFAOYSA-N 204.195 2.806 0 40 BFAB CC[C@@H](C(C)=O)C(=O)Nc1ccccc1C 141581 XKFOZGNKUAYESR-NSHDSACASA-N 219.284 2.549 0 40 BFAB c1ccc(-c2cn(-c3ccccc3)nn2)cc1 173386 UIXYUQXWIFEYBN-UHFFFAOYSA-N 221.263 2.934 0 40 BFAB CC(=O)OC[C@@]12CC=C(C)[C@@H]([C@@H]1C)[C@@H](C)OC2 362123 KSCMOJQRHWGLDT-XCCSTKFXSA-N 238.327 2.557 0 40 BFAB biogenic O=C(c1ccsc1)[C@@H](O)c1ccccc1 1701393 JIJZGGQFINQAPK-NSHDSACASA-N 218.277 2.664 0 40 BFAB CC(C)NCC[C@H](O)c1cc2ccccc2o1 1760373 HTVNMYNZIULXPX-LBPRGKRZSA-N 233.311 2.854 0 40 BFAB in-vitro CC(=O)c1c(Cl)cc(N)cc1Cl 2569279 NQUAMHWJQQTUFQ-UHFFFAOYSA-N 204.056 2.778 0 40 BFAB O=C(NCc1ccc(F)cc1)c1cccc(F)c1 3093736 BTNPMXNZFXKRBN-UHFFFAOYSA-N 247.244 2.895 0 40 BFAB O=C1OC(c2ccccc2)=N[C@@H]1c1ccccc1 4416612 IEJPPSMHUUQABK-CYBMUJFWSA-N 237.258 2.731 0 40 BFAB Cc1c(Cl)cccc1NC(=O)c1ccn(C)n1 4546880 PECDNMHDXLVIEU-UHFFFAOYSA-N 249.701 2.634 0 40 BFAB CCCOc1ccc2[nH]c(C(=O)O)cc2c1 4672501 JKYLJMBPOCFOIJ-UHFFFAOYSA-N 219.240 2.655 0 40 BFAB Cc1sc(Br)c(C(=O)O)c1C 6186822 VPLITVQPROCSGC-UHFFFAOYSA-N 235.102 2.826 0 40 BFAB O=C(NCc1ccccc1Cl)C(F)(F)F 6222382 WJAXRJAMOHVAKR-UHFFFAOYSA-N 237.608 2.519 0 40 BFAB O=C(Nc1nc2c(s1)CCC2)c1ccccc1 6595472 HYSSQXWOGJSEOO-UHFFFAOYSA-N 244.319 2.884 0 40 BFAB C[C@H]1CCCCN1C(=O)c1cc(C2CC2)on1 13363691 KVDKMTXBXMNYPD-VIFPVBQESA-N 234.299 2.567 0 40 BFAB Nc1ccc(OCc2cccnc2)c(Cl)c1 19256468 HLUUSUYPMJJHLW-UHFFFAOYSA-N 234.686 2.896 0 40 BFAB in-vitro N[C@@H](c1ccccc1)c1cccc(F)c1 19415743 CGZRUHXQDYRPLG-ZDUSSCGKSA-N 201.244 2.874 0 40 BFAB O=C1Nc2ccccc2[C@H]1Cc1ccccc1O 22347794 JLQVAHNKZQMCGD-GFCCVEGCSA-N 239.274 2.671 0 40 BFAB C[C@@H]1C[C@H]1C(=O)NCc1ccc(Cl)s1 25521841 RTIWXPPOCRZDDI-HTRCEHHLSA-N 229.732 2.674 0 40 BFAB Nc1c(-c2ccc(F)cc2)nc2ccccn12 26420145 ISVXYJZNORLRPH-UHFFFAOYSA-N 227.242 2.723 0 40 BFAB CC[C@H](CCC(=O)Nc1ccc(C)cc1)C(=O)O 26808029 PKVZFPNQBWGYJX-LLVKDONJSA-N 249.310 2.825 0 40 BFAB C[C@H](O)Cc1ccc(Cl)cc1Cl 32010417 CNAHQWRKXSWOST-LURJTMIESA-N 205.084 2.917 0 40 BFAB O=Cc1c(F)ccc(C(F)(F)F)c1F 34365057 YDXUQMGWIIWHIF-UHFFFAOYSA-N 210.101 2.796 0 40 BFAB Cc1ccc(C(=O)c2ccc3c(c2)OCO3)cc1 36942834 UZZOKVRVEUYOTM-UHFFFAOYSA-N 240.258 2.955 0 40 BFAB C[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccco1 40474212 DNDSAZZLMNKKHJ-PWSUYJOCSA-N 236.315 2.658 0 40 BFAB Clc1cc(Cl)cc(OCC2OCCO2)c1 41302620 YHSUBEGKHSLHML-UHFFFAOYSA-N 249.093 2.745 0 40 BFAB CCCCCC[C@H](C)NC(=O)NCC 60487207 JPZWPZSGBDKEQC-JTQLQIEISA-N 200.326 2.664 0 40 BFAB c1ccc(-c2noc(NCC3CCC3)n2)cc1 62639984 DUNOPKCWRLVJHJ-UHFFFAOYSA-N 229.283 2.949 0 40 BFAB CCCNc1ncc(CNC(C)(C)CC)cn1 62717722 HMYZZZPERFLIIH-UHFFFAOYSA-N 236.363 2.577 0 40 BFAB FC(F)(F)Oc1ccc(C[C@@H]2CCCN2)cc1 70318470 RMHSIPKVGRBGHW-JTQLQIEISA-N 245.244 2.880 0 40 BFAB OC[C@H]1C[C@H]1c1ccccc1C(F)(F)F 70453348 LQSFZWVYWMAVCT-VXNVDRBHSA-N 216.202 2.801 0 40 BFAB Cc1cc([C@H]2CCCCN2C)cnc1N(C)C 72218635 XVTWSVYZDWZCQR-CYBMUJFWSA-N 233.359 2.613 0 40 BFAB CC(C)(C)C(=O)N1CCC[C@@H]1c1ccccn1 72361331 XFMQRWJEVGPYNJ-GFCCVEGCSA-N 232.327 2.791 0 40 BFAB COc1ccc(Cn2ccc(C3CC3)n2)cc1F 89457654 OIVUNPJLHSYWQT-UHFFFAOYSA-N 246.285 2.957 0 40 BFAB FC(F)(F)C(F)(F)c1cncc(Cl)n1 91252226 PCBCMHLXLIFNMC-UHFFFAOYSA-N 232.539 2.784 0 40 BFAB Cc1ncccc1OC(=O)OC(C)(C)C 96005812 RZJUDYPSWRQSPU-UHFFFAOYSA-N 209.245 2.704 0 40 BFAB CC[C@H](NC[C@@H]1C[C@H]2C=C[C@H]1C2)c1noc(C)n1 101544037 WCXBRVVYVPMOLO-CYDGBPFRSA-N 247.342 2.631 0 40 BFAB CC(C)/C=C/[C@H](C)C(=O)CC(=O)OC(C)C 104114510 MZEAWAJQXIIKCI-MLRMMBSGSA-N 226.316 2.746 0 40 BFAB Cc1ccnc(N2CCC(C(F)(F)F)CC2)n1 172785487 PBFTYANIIUTZBY-UHFFFAOYSA-N 245.248 2.564 0 40 BFAB CN1CCC[C@H]1c1cccc(Br)n1 205706566 PHJQTOONVCTRCS-VIFPVBQESA-N 241.132 2.611 0 40 BFAB O=Cc1ccc(-c2ccc3c(c2)OCCO3)o1 217570325 AUCUCMXLVRHBAS-UHFFFAOYSA-N 230.219 2.530 0 40 BFAB OCCCc1ccc(F)c(Cl)c1F 228955863 MPEZNUNDWAZEEV-UHFFFAOYSA-N 206.619 2.543 0 40 BFAB Cc1sc2c(C3CCNCC3)nc(C)n2c1C 257344507 ZXQBAUXVVKAZRM-UHFFFAOYSA-N 249.383 2.788 0 40 BFAB Cc1cccc(Nc2ncc(C)c(O)n2)c1 408979662 NVFMRHVQXNOQLQ-UHFFFAOYSA-N 215.256 2.543 0 40 BFAB Nc1ccc2cncc(Br)c2c1 1857788499 BLNYEIURLNAUDK-UHFFFAOYSA-N 223.073 2.580 0 40 BFAB CCC[C@@H](C)NC(=O)c1cccc(C)c1 383586 MGMMFUGQJMNMKH-LLVKDONJSA-N 205.301 2.913 0 40 BFAB Cc1ccc(C[C@@]2(O)C[C@@H](C)N(C)C[C@@H]2C)cc1 4016383 PPFGJYUAWQBXHF-LZWOXQAQSA-N 247.382 2.629 0 40 BFAB Cc1cnc(NC(=O)[C@H]2CC=CCC2)s1 7987017 BKXCVCSQIWRNTJ-VIFPVBQESA-N 222.313 2.746 0 40 BFAB CC[C@@H](Nc1ccc(C)c(C)c1)C(=O)O 8702769 IUCUVXCKLHRXPW-LLVKDONJSA-N 207.273 2.579 0 40 BFAB Cc1c(N)cccc1C(=O)N1C[C@@H](C)C[C@H](C)C1 8703648 HHKZWFUXXJUEHM-QWRGUYRKSA-N 246.354 2.695 0 40 BFAB COc1ccc([C@H](C)NC2CC2)cc1F 19516391 KLFYHZWAERRYGO-QMMMGPOBSA-N 209.264 2.647 0 40 BFAB O=Cc1c(Cl)ncnc1NCc1ccccc1 29753697 NINSSJVSRWWSNV-UHFFFAOYSA-N 247.685 2.555 0 40 BFAB Cc1ccc(CN(C)C(=O)C(C)(C)C)cc1 33000477 MBDZUIUKUNIUKU-UHFFFAOYSA-N 219.328 3.000 0 40 BFAB CCCCOc1ccccc1CNCCOC 33466298 WAYVPOFQTVSVTE-UHFFFAOYSA-N 237.343 2.602 0 40 BFAB O=C(c1cccc(-n2cccc2)c1)N1CCCC1 36140955 PLXRFWYAXZRACI-UHFFFAOYSA-N 240.306 2.713 0 40 BFAB O=[N+]([O-])c1ccc(N/N=C2/C[C@@H]3C=CC[C@@H]23)cc1 38316230 DWBVNUYMYUVDPD-TUKVHPRHSA-N 243.266 2.959 0 40 BFAB Cc1ccc(C)c([C@@H](O)c2ccco2)c1 40248433 LDHUGVABLIDAKU-CYBMUJFWSA-N 202.253 2.978 0 40 BFAB CCC[C@H](C)NC(=O)Cc1ccccc1F 42141541 QIYAVHLOKCVALA-JTQLQIEISA-N 223.291 2.673 0 40 BFAB CCCNC(=O)N(C)Cc1ccc(Cl)cc1 57573489 WOASDRMUPBXUQG-UHFFFAOYSA-N 240.734 2.891 0 40 BFAB COc1ccc(-n2nc(C)c(C)c2C)cc1 62986791 IASTYJPPDSKLDM-UHFFFAOYSA-N 216.284 2.806 0 40 BFAB CCC(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F 70249876 HQYUAWABSDIWQE-JGVFFNPUSA-N 223.238 2.634 0 40 BFAB CCN1CCC[C@@H]1c1ccc(OC)cc1 72221502 QJOLABOJHFCGJD-CYBMUJFWSA-N 205.301 2.852 0 40 BFAB CSc1cc(Br)ccc1N 83739038 CHYIYEIZHLINAD-UHFFFAOYSA-N 218.119 2.753 0 40 BFAB O=C(O)c1cnc2cc(Cl)c(Cl)cc2n1 84857908 FEKRWKJLKURJRP-UHFFFAOYSA-N 243.049 2.635 0 40 BFAB CC(=O)N(C)[C@@H](c1ccc(F)cc1)C1CC1 95399677 PRFYHEAVJXWUSS-CYBMUJFWSA-N 221.275 2.755 0 40 BFAB C(=C/c1ccn(-c2ccccc2)n1)\c1ccnnc1 95459391 FUILIJLIEWZMOP-VOTSOKGWSA-N 248.289 2.833 0 40 BFAB C[C@@H](O[C@H]1CCNC1)c1ccccc1Cl 96529844 UETHPUBDRLDRHJ-ZJUUUORDSA-N 225.719 2.780 0 40 BFAB Cc1ncc(C[S@@](=O)CC2CCCC2)s1 97033788 SREDDYJEZIFFBQ-OAHLLOKOSA-N 243.397 2.890 0 40 BFAB C[C@H](SCC1CCCCCC1)C(N)=O 97115489 ZRWCSNJRWGGCKB-VIFPVBQESA-N 215.362 2.564 0 40 BFAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCC(C)C 113959195 NQUYZQYPSJOMKU-CQSZACIVSA-N 249.354 2.925 0 40 BFAB CC(C)(O)C[C@@](O)(c1ccccc1)C(F)(F)F 199402068 VONDDSLZFPWLBC-LLVKDONJSA-N 248.244 2.598 0 40 BFAB Cc1ccc(N[C@@H]2CCC[C@H]2N)cc1Cl 218878533 ORUBVAOPQFCNBT-VXGBXAGGSA-N 224.735 2.940 0 40 BFAB COc1ccc([C@@H](O)c2cccc(N)c2C)cc1 226291777 ARKZQLUKLDWNEO-OAHLLOKOSA-N 243.306 2.668 0 40 BFAB CCCCNCc1ccnn1[C@@H](C)CC 256052895 PCCULJRXSMPQPT-NSHDSACASA-N 209.337 2.744 0 40 BFAB C[C@H](c1noc(Cc2ccc(O)cc2)n1)C1CC1 275006533 PAGXVNJUQVJWRC-VIFPVBQESA-N 244.294 2.880 0 40 BFAB COc1cccc2nc(OC(C)C)c(N)cc12 685938374 KKFOEXODHWXZJK-UHFFFAOYSA-N 232.283 2.613 0 40 BFAB CC(C)(C)OC(=O)[C@@H]1CCCC[C@@H]1F 710673495 KRKYSFHPHGDPAB-BDAKNGLRSA-N 202.269 2.856 0 40 BFAB FC(F)(F)Cc1ncccc1Br 1690143413 LBOXFJQZOCVDSL-UHFFFAOYSA-N 240.022 2.949 0 40 BFAB N=c1ccn(Cc2ccccc2Cl)cc1 221952 WVTBKMSZTWLEJF-UHFFFAOYSA-N 218.687 2.669 0 40 BFAB biogenic Nc1nc(Cl)cc(Sc2cccs2)n1 1398032 NBBMAUACGWECEG-UHFFFAOYSA-N 243.744 2.925 0 40 BFAB COc1cccc(/C=C/c2ccccn2)c1O 3882968 GGIVUCSCCYLKPR-CMDGGOBGSA-N 227.263 2.966 0 40 BFAB CCc1ccc(C(=O)Nc2ccccn2)cc1 8382515 HVNPSCBEYZUXQO-UHFFFAOYSA-N 226.279 2.896 0 40 BFAB Cc1ccccc1C(=O)N(C)Cc1cccnc1 12538870 ZDIVPZUTYDBOEK-UHFFFAOYSA-N 240.306 2.662 0 40 BFAB C[C@H]1CN(C)C(C)(C)C[C@@]1(O)c1ccccc1 13111059 SSRPOTWODWIGHO-WFASDCNBSA-N 233.355 2.624 0 40 BFAB CCN[C@@H](C)c1cccc(OC(F)F)c1 20084540 UJIONZQCNQZTKT-QMMMGPOBSA-N 215.243 2.959 0 40 BFAB COc1cc(-c2ccccc2)cc(C=O)c1O 21950940 MXAKCKGHRBYIEE-UHFFFAOYSA-N 228.247 2.880 0 40 BFAB Cc1ccc(C)c(NC(=O)Nc2ccn(C)n2)c1 27915630 FVXQRYZJDJGADS-UHFFFAOYSA-N 244.298 2.681 0 40 BFAB Nc1nc(-c2cccnc2)cc2ccccc12 31343565 HKTHEKGLHMSGCU-UHFFFAOYSA-N 221.263 2.879 0 40 BFAB Cc1ccc(S[C@H](C)C(=O)N(C)C)c(C)c1 32741646 XXGKXSZOFXPOAH-LLVKDONJSA-N 237.368 2.872 0 40 BFAB CC(C)C(=O)N1CCC[C@H]2CCCC[C@@H]21 32903889 WVRYGEVLVWAFDK-NEPJUHHUSA-N 209.333 2.824 0 40 BFAB Cc1ccccc1[C@H](C)NC(=O)[C@H]1C[C@H]1C 32978730 ZVUZXWSXXTVAGZ-MDZLAQPJSA-N 217.312 2.828 0 40 BFAB CCc1ccc(C(=O)Nc2ccccc2O)o1 36394822 VYPOVPXGCNKFOY-UHFFFAOYSA-N 231.251 2.800 0 40 BFAB CCc1c(-c2ccc(C)cc2)n[nH]c1N 37507701 AQHJHLPHEUVEBX-UHFFFAOYSA-N 201.273 2.530 0 40 BFAB OC[C@@H](NCc1cccs1)c1ccccc1 38123756 FBEDUEYXMXAKRI-CYBMUJFWSA-N 233.336 2.571 0 40 BFAB CCOc1ccc([C@H]2N=C(O)CS2)cc1 39299087 WXYBSYQAMHXTCK-NSHDSACASA-N 223.297 2.787 0 40 BFAB O[C@H]1CCCC[C@H]1Nc1cccc(F)c1F 40230483 ZUGHOLBBPUTODQ-KOLCDFICSA-N 227.254 2.680 0 40 BFAB Cc1ccc(C(=O)c2c(F)cccc2F)nc1 45028567 KTHOYLYXEUGCSI-UHFFFAOYSA-N 233.217 2.899 0 40 BFAB C[C@H]1CCCN(C(=O)CCOc2ccccc2)C1 46869518 FWHGDWXSBJWCQZ-ZDUSSCGKSA-N 247.338 2.714 0 40 BFAB CC[C@H](C)[C@@H](C)NC(=O)c1cccc(OC)c1 48309520 VIGYEJISJWFCLU-WDEREUQCSA-N 235.327 2.860 0 40 BFAB O=C1CCCc2nc(-c3ccncc3)sc21 50329675 UZMYBXRSPBYMMV-UHFFFAOYSA-N 230.292 2.724 0 40 BFAB O=C(C1CC1)N(Cc1ccco1)Cc1ccco1 58344082 KQMREVDTVGOEDT-UHFFFAOYSA-N 245.278 2.811 0 40 BFAB CNC(=O)[C@H](C)SCc1cccc(Cl)c1 59830826 MRBVHURACBWVOH-QMMMGPOBSA-N 243.759 2.708 0 40 BFAB Cc1ccc(C)c(OC(=O)c2cnccn2)c1C 70667351 BMDKZEJEWGKLDX-UHFFFAOYSA-N 242.278 2.621 0 40 BFAB Cc1nc(C)c(C(=O)N2CC[C@@H]3CCCC[C@H]32)o1 89558058 KSPWRNXBSYLLEN-NWDGAFQWSA-N 248.326 2.696 0 40 BFAB CC(C)(C)C(=O)Nc1cnn(C2CCCC2)c1 96502910 SUUTVZULQGIFLR-UHFFFAOYSA-N 235.331 2.983 0 40 BFAB CCCCN(CCCC)C[C@H](N)CCSC 96523878 BAJOUZJRQIYZEX-CYBMUJFWSA-N 246.464 2.969 0 40 BFAB Cc1[nH]c2c(O)cccc2c(=O)c1C(C)C 685938176 DXDSLWGHNLPQGG-UHFFFAOYSA-N 217.268 2.666 0 40 BFAB CC1(C)C[C@@]2(CCCN2)CN1c1cccc(F)c1 1615161930 YHNMTOMXYABRPA-HNNXBMFYSA-N 248.345 2.937 0 40 BFAB Cc1ccc(Oc2ncc(C)s2)cn1 1888860541 XIUYJCKFUURFFV-UHFFFAOYSA-N 206.270 2.947 0 40 BFAB Nc1ccccc1[C@@H]1CC1(Cl)Cl 93770 SZUWLNKLJNVARV-ZETCQYMHSA-N 202.084 2.930 0 40 BFAB COc1cccc(C(=O)Nc2cc(C)ccn2)c1 343014 VTLBZICFRZQTJF-UHFFFAOYSA-N 242.278 2.651 0 40 BFAB COc1cccc([C@@H](O)Cc2ccccc2)c1 344495 BCOIOUFGMAXMQK-HNNXBMFYSA-N 228.291 2.971 0 40 BFAB C[C@H]1CCc2c(c3ccc(O)cc3oc2=O)C1 1556591 MJNLIGBZWRWBDE-QMMMGPOBSA-N 230.263 2.623 0 40 BFAB CCCC[C@@H](CC)C(=O)NCc1cccnc1 2057666 PEWOGBZGIWGIBQ-CYBMUJFWSA-N 234.343 2.914 0 40 BFAB O=C1CCCc2oc3ccc(O)cc3c21 2140662 MSOMYAAXIQYGOT-UHFFFAOYSA-N 202.209 2.657 0 40 BFAB biogenic O=C(O)CCOc1ccc(C(F)(F)F)cc1 2243318 ABWSTGVKIRQGEZ-UHFFFAOYSA-N 234.173 2.559 0 40 BFAB COC(=O)c1cc2c([nH]c3ccccc32)c(C)n1 4278228 LIAUJQLOCLVMMH-UHFFFAOYSA-N 240.262 2.811 0 40 BFAB biogenic,in-vitro CCCC[S@](=O)/C=C\[S@@](=O)CCCC 5328507 DCYLNFVUQBIIBX-YWOVDUEISA-N 236.402 2.555 0 40 BFAB CC(=O)[C@@H](C)C(=O)Nc1ccc(Cl)cc1 5722591 XHVLTXIWHJWBAD-SSDOTTSWSA-N 225.675 2.504 0 40 BFAB CCCN1CCSc2sccc2C1=O 5793357 CVTHLOAPDWGWCW-UHFFFAOYSA-N 227.354 2.706 0 40 BFAB CC(C)c1ccc(CSc2n[nH]c(N)n2)cc1 5825706 RUBXAHGZFNPQGJ-UHFFFAOYSA-N 248.355 2.803 0 40 BFAB Cc1ccc(CNC(=O)c2ccoc2C)cc1F 12851116 QXYCBIGGQXVSMV-UHFFFAOYSA-N 247.269 2.966 0 40 BFAB CCn1nc(C)cc1NC(=O)c1cccs1 13656447 KUPBXOCROWHGOI-UHFFFAOYSA-N 235.312 2.525 0 40 BFAB C1CCC(CCO[C@@H]2CCCNC2)CC1 14631543 AHSCVVVXCNHNDZ-CYBMUJFWSA-N 211.349 2.725 0 40 BFAB in-vitro Cc1cc2c(=O)n(C3CC3)c(=S)[nH]c2s1 16972235 QFZLFDCBFXQZGG-UHFFFAOYSA-N 238.337 2.764 0 40 BFAB COc1ccc(N)cc1NC(=O)c1cccs1 20157209 NEYGVUFMERYELP-UHFFFAOYSA-N 248.307 2.591 0 40 BFAB COc1ccc2oc(C)c([C@H](C)N)c2c1 20417467 QAYAKUAJCZVLEF-ZETCQYMHSA-N 205.257 2.770 0 40 BFAB in-vitro Nc1ccc(NCc2ccc(F)cc2)cc1N 22059385 IOYLGISQRDBPQT-UHFFFAOYSA-N 231.274 2.602 0 40 BFAB in-vitro FC(F)(F)c1nc(Cl)c2c(n1)CCC2 26440982 GJLVCUMLLLEWKF-UHFFFAOYSA-N 222.597 2.638 0 40 BFAB N[C@]1(C(=O)O)CCCCC[C@H]1c1ccccc1 26894885 HOMJXBBZJQKYIN-GXTWGEPZSA-N 233.311 2.516 0 40 BFAB CN(C(=O)c1ccc(Cl)o1)C1CCCC1 32842137 IRGMYTMFNILELZ-UHFFFAOYSA-N 227.691 2.948 0 40 BFAB C[C@H]1CCCN(C(=O)[C@H]2CC=CCC2)C1 32843730 BJJIRGXHGXQQKS-RYUDHWBXSA-N 207.317 2.601 0 40 BFAB Cc1occc1C(=O)N(C)C1CCCC1 32845579 PXSHIJLKHUGVTP-UHFFFAOYSA-N 207.273 2.603 0 40 BFAB Cc1ccc(CN[C@H](C)CN2CCCCC2)cc1 35258862 WIGVBXALBHXWNO-OAHLLOKOSA-N 246.398 2.959 0 40 BFAB O[C@H](c1ccsc1)c1cccc(F)c1 37464966 IYLGKYGLSNZUQI-NSHDSACASA-N 208.257 2.969 0 40 BFAB Fc1ccc(-c2cn3c(n2)CCC3)cc1 39028868 OQPKHWUHNNRULF-UHFFFAOYSA-N 202.232 2.635 0 40 BFAB COC(=O)c1scc(-c2cccs2)c1N 39347498 HPXALFLFNDKRNG-UHFFFAOYSA-N 239.321 2.845 0 40 BFAB CCOC(=O)c1cc(N)ccc1N[C@@H](C)CC 41079793 REBIFERGHXYTPD-VIFPVBQESA-N 236.315 2.656 0 40 BFAB CCC(C)(C)NC(=O)CCc1ccccc1 42137395 JTFFJSGKLQBSHS-UHFFFAOYSA-N 219.328 2.924 0 40 BFAB O=C(c1ccc(F)c(F)c1F)C1CC1 49812109 WRJWRNGJLXOXEO-UHFFFAOYSA-N 200.159 2.697 0 40 BFAB CCOC(=O)c1sc(C2CC2)nc1C 71872684 BMOWAHYIBJQJIU-UHFFFAOYSA-N 211.286 2.506 0 40 BFAB C[C@@H](N)c1ccc(Nc2ccccc2)nc1 72225307 OJKKAILNAYOMCR-SNVBAGLBSA-N 213.284 2.845 0 40 BFAB CN(c1ccccc1)c1ccc(C=O)cn1 72225316 GXGPITHNEPYNKO-UHFFFAOYSA-N 212.252 2.662 0 40 BFAB in-vitro C[C@H](N)COCc1cc(Cl)cc(Cl)c1 89262661 LVYXTHCZQBMOBO-ZETCQYMHSA-N 234.126 2.857 0 40 BFAB Cc1ccccc1OC(=O)c1ccc(CN)cc1 90192338 GLOWQBJBRXGKEV-UHFFFAOYSA-N 241.290 2.673 0 40 BFAB CNc1ccc(Nc2nc(C(C)C)ns2)cn1 92612337 UKRMCLZJVYXELA-UHFFFAOYSA-N 249.343 2.842 0 40 BFAB CCC(O)(CC)c1cc(F)ccc1OC 95739376 LVVMCEIBFWDZMN-UHFFFAOYSA-N 212.264 2.842 0 40 BFAB C[C@H](N[C@@H]1CCC[C@@H]1CO)c1ccccc1F 96478421 RGZVTHKOFJMHRZ-MISXGVKJSA-N 237.318 2.637 0 40 BFAB CO[C@@H](C)c1cc(Cl)nc([C@H](C)OC)n1 96529035 GYWBORBQMUDFPE-BQBZGAKWSA-N 230.695 2.545 0 40 BFAB Cc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 101697537 FTSLGXCELCPDCE-RBSFLKMASA-N 243.350 2.842 0 40 BFAB Cc1cn[nH]c1[C@@H]1CCN(Cc2cccs2)C1 205683339 DRQNVIFHUHUSKB-LLVKDONJSA-N 247.367 2.769 0 40 BFAB Cc1n[nH]c(NC(=O)C(C)(C)C2CCC2)c1C 322898730 CGFMFSWIJMBKNJ-UHFFFAOYSA-N 235.331 2.791 0 40 BFAB C[C@@H](Oc1nccs1)c1ccncc1 585650909 HSJLNBWIUKCYDX-MRVPVSSYSA-N 206.270 2.678 0 40 BFAB Cc1conc1C(=O)N(C)[C@@H]1CCC(C)(C)C1 632816721 GHTKHYMHEBTLTK-SNVBAGLBSA-N 236.315 2.634 0 40 BFAB C[C@]12CNC[C@@]1(c1ccc(F)cc1Cl)C2 1776011374 UTTYLHODIMXNLG-NWDGAFQWSA-N 225.694 2.730 0 40 BFAB C[C@H]1C[C@H](C)CN(C(=O)c2cccs2)C1 29368 OCECQJAGGNFNJC-UWVGGRQHSA-N 223.341 2.866 0 40 BFAB Cc1nccn1CCOc1ccccc1Cl 845775 BUVZXFVFBAWNPN-UHFFFAOYSA-N 236.702 2.924 0 40 BFAB c1ccc(CNc2nnc3n2CCCCC3)cc1 1468180 RRALQPNFJGLEIG-UHFFFAOYSA-N 242.326 2.617 0 40 BFAB CC(C)(C)C1=CC(C(F)(F)F)=NC=CN1 1563133 ITDNOCLFMZYOAV-UHFFFAOYSA-N 218.222 2.994 0 40 BFAB Oc1ccc2c(c1)CC[N+]1=C2CC[C@@H]2CCC[C@H]21 1718904 AFZUMYMXNCDSQR-XHDPSFHLSA-O 242.342 2.712 0 40 BFAB in-man O=C(O)[C@H](c1ccccc1)C1(O)CCCCC1 2042220 AOHSAQWYEVFRKD-LBPRGKRZSA-N 234.295 2.550 0 40 BFAB C[C@@H](COc1ccc(C(C)(C)C)cc1)OC=O 2046280 KDBPKSODRSKKGX-NSHDSACASA-N 236.311 2.924 0 40 BFAB O=C(O)CCCSc1nc2ccccc2[nH]1 3268042 HDIDVWDIDBGIAM-UHFFFAOYSA-N 236.296 2.520 0 40 BFAB CCCCc1nc2[nH]nc(N)c2c2c1CCCC2 4102581 BSSGOMQVTAQGKE-UHFFFAOYSA-N 244.342 2.762 0 40 BFAB CCN(CCO)C[C@@H]1CCC[C@H]2CCCC[C@@H]21 5766907 OMNYFBVXUCYWNL-ILXRZTDVSA-N 239.403 2.907 0 40 BFAB in-vitro O=C(CCc1ccc(Cl)cc1)N1CCCC1 12977159 PUGZRBBMOYJWEW-UHFFFAOYSA-N 237.730 2.895 0 40 BFAB COCCN[C@H](C)c1ccc(C)cc1C 19881589 NOQFRBFZBNLQFQ-GFCCVEGCSA-N 207.317 2.600 0 40 BFAB CC(C)(C)n1ccc(-c2csc(N)n2)c1 20131655 YFHABBSPYHEOIJ-UHFFFAOYSA-N 221.329 2.949 0 40 BFAB CCCc1cc(C(=O)Nc2ccccc2)[nH]n1 29507168 JRXHTHCYBLLJCO-UHFFFAOYSA-N 229.283 2.615 0 40 BFAB Cc1c(N)cccc1OCC(F)(F)F 35283189 KUXMBHWMSQIASW-UHFFFAOYSA-N 205.179 2.518 0 40 BFAB in-vitro CC(C)(C)[C@H](N)c1nc(-c2ccccc2)no1 35411428 ICNUBRSICPXNSU-SNVBAGLBSA-N 231.299 2.783 0 40 BFAB Cc1n[nH]cc1CN[C@@H]1CCC[C@H](C)[C@@H]1C 36901533 PTWDBOJHAJNARO-OUJBWJOFSA-N 221.348 2.632 0 40 BFAB CCCNC(=O)CSCc1cccc(C)c1 40161055 XHHIUIJGWPGZLK-UHFFFAOYSA-N 237.368 2.754 0 40 BFAB Cc1ccc(CCNC(=O)CC(C)(C)C)o1 40516531 ULOAYEOQVYKRSS-UHFFFAOYSA-N 223.316 2.683 0 40 BFAB O=C(O)CCNCc1ccc(-c2ccccc2)o1 41689200 CUUWUZNUHLVJAO-UHFFFAOYSA-N 245.278 2.511 0 40 BFAB CC(C)=CC(=O)Nc1nnc(-c2ccco2)s1 42618478 PRWMNFHICGDYBB-UHFFFAOYSA-N 249.295 2.703 0 40 BFAB CCCc1noc(CN(C)[C@@H](C)CC(C)C)n1 45823327 YOZXGDPFLHVCNG-NSHDSACASA-N 239.363 2.889 0 40 BFAB Cc1ccc(CNC(=O)CCC2CCCC2)cn1 47557033 MWGNDTZNAZDORB-UHFFFAOYSA-N 246.354 2.977 0 40 BFAB CC(C)Oc1ccc([C@@]2(C)CCNC2)cc1 51955182 PMEVYUNAAMXTOV-AWEZNQCLSA-N 219.328 2.725 0 40 BFAB CC(C)CC(=O)NCCc1cccc(F)c1 58363987 URBYYUODGDVABP-UHFFFAOYSA-N 223.291 2.531 0 40 BFAB CNC[C@@H](OC(C)C)c1ccc(OC)c(F)c1 62711697 DNFDMKHBSVVJBP-CYBMUJFWSA-N 241.306 2.520 0 40 BFAB C/C=C/[C@H](CC)ON1C(=O)c2ccccc2C1=O 68603056 SYOWXNFNBXQSTK-HTZNOQTFSA-N 245.278 2.569 0 40 BFAB Cc1nc(N)ccc1[C@H]1CCCN1CC(C)C 72218564 ZOTBGCYHHKCALE-CYBMUJFWSA-N 233.359 2.765 0 40 BFAB CSc1ccc([C@H](O)c2ccccc2)cn1 72225087 DAVOYGWXBPRBNS-CYBMUJFWSA-N 231.320 2.885 0 40 BFAB COCOc1ccccc1C(F)(F)F 72283960 KDGCARXCCUSENF-UHFFFAOYSA-N 206.163 2.688 0 40 BFAB Cc1cc(C)cc(NC(=O)CN2CCC[C@H]2C)c1 72293058 URERALBDSJNMNG-CYBMUJFWSA-N 246.354 2.726 0 40 BFAB Cc1cc(Br)cc2c1ncn2C 73634217 IAOKCFYNSUUOKL-UHFFFAOYSA-N 225.089 2.644 0 40 BFAB in-vitro CCc1ccc(NC(=O)C2CCN(C)CC2)cc1 74713327 MPQUBBRRNGFFLH-UHFFFAOYSA-N 246.354 2.529 0 40 BFAB CCOC(=O)CCCOc1c(F)cccc1F 75881207 GQTRLMWPYZQXNB-UHFFFAOYSA-N 244.237 2.687 0 40 BFAB COc1cccc([C@@H](C)Sc2nc(C)n[nH]2)c1 83203268 FGDIAOHWSQTNHM-MRVPVSSYSA-N 249.339 2.975 0 40 BFAB CC(C)[C@@H](O)c1cncc(Br)c1 87281341 GSJHXNYTKCWCEX-SECBINFHSA-N 230.105 2.534 0 40 BFAB NCc1cncc(-c2cccc(Cl)c2)c1 91351622 QBGDXWUBBXQAOW-UHFFFAOYSA-N 218.687 2.861 0 40 BFAB C[C@@H](NC(=O)[C@]1(C)CCCS1)C(C)(C)C 95449660 HFYLYIMLPCZGMG-SKDRFNHKSA-N 229.389 2.823 0 40 BFAB CCCOc1c(F)cc(F)cc1C(C)=O 95732378 ZXNUUUDHRSJAGI-UHFFFAOYSA-N 214.211 2.956 0 40 BFAB Clc1cc(Cl)c(OC2CC2)cn1 95742281 DDWANSQFRSPJGV-UHFFFAOYSA-N 204.056 2.930 0 40 BFAB CC(C)(CN)c1cccc(Cl)c1F 95883545 KNSGVZPSZAPBJF-UHFFFAOYSA-N 201.672 2.715 0 40 BFAB CN(C1CCCCC1)C1C[C@@H]2CC[C@@H](C1)N2 100258545 XLFOFZOBMGBKMZ-RYUDHWBXSA-N 222.376 2.534 0 40 BFAB COC1=N[C@@H]2C=Cc3ccccc3[C@@H]1C=C2 104278307 CAXDTYIMWMMSFE-YPMHNXCESA-N 211.264 2.780 0 40 BFAB CN(Cc1ccccc1)c1ccnc(C2CC2)n1 110110759 UBIINIZSHQQJCI-UHFFFAOYSA-N 239.322 2.990 0 40 BFAB CCC(=O)NCCCc1cccc(OC(C)C)c1 223189563 YPRRPSLLMDWJSX-UHFFFAOYSA-N 249.354 2.933 0 40 BFAB Cc1c(CNCc2ccco2)cnn1C(C)C 256050237 DGQIGBZXSMDDFC-UHFFFAOYSA-N 233.315 2.655 0 40 BFAB Cc1ccc(OCCCN2CCCCC2)cn1 256050663 GBAQGXJKDLZUPN-UHFFFAOYSA-N 234.343 2.645 0 40 BFAB S=C(Nc1ccncc1)N[C@@H]1C[C@H]2CC[C@H]1C2 260659337 XWNMYFCNWPYUGI-JBLDHEPKSA-N 247.367 2.557 0 40 BFAB CCOc1ccc(C(=O)NCCC(C)C)cc1 30402 IDYDAUUPUFVRGK-UHFFFAOYSA-N 235.327 2.861 0 40 BFAB Cc1ccc(N2NC3(CCCC3)N=C2S)cc1 1260366 DFZMMMYRYFXRPC-UHFFFAOYSA-N 247.367 2.876 0 40 BFAB C/C=C/C(=O)OCCCc1ccccc1 1684742 OSJGHGHIAYUYSS-FARCUNLSSA-N 204.269 2.739 0 40 BFAB CCCCCNCC1OCc2ccccc2CO1 2295777 NGWNRRJGLVGFHN-UHFFFAOYSA-N 249.354 2.839 0 40 BFAB c1ccc2c([C@@H]3CCCNC3)c[nH]c2c1 2577394 NSTKAVLBVZXAHE-SNVBAGLBSA-N 200.285 2.635 0 40 BFAB in-vitro CCN1CCC[C@@H]1Cn1c(C)ccc1C 2661448 DGLGETREWQMTCM-CYBMUJFWSA-N 206.333 2.589 0 40 BFAB in-vitro O=C1[C@H]2CCC[C@@H]1CC[C@@H]2N1CCCCC1 4124603 RVZATTSXQJHIRB-AGIUHOORSA-N 221.344 2.620 0 40 BFAB COc1ccc(C(=O)c2cccs2)c(O)c1 5513214 WJRKOMCJRGXWRS-UHFFFAOYSA-N 234.276 2.693 0 40 BFAB CCCCCc1ccc(C(=O)NCCCO)cc1 6592270 QGUDDTBSWYHESG-UHFFFAOYSA-N 249.354 2.532 0 40 BFAB COc1ccc2ccccc2c1CCC(=O)O 8019546 AUVKOEHVYGYIKP-UHFFFAOYSA-N 230.263 2.866 0 40 BFAB in-vitro Cc1cc(C(C)C)ccc1O[C@H](C)C(=O)O 8730574 AEFRYKDGOMHHSB-SNVBAGLBSA-N 222.284 2.970 0 40 BFAB Cc1ccc(C)n1C1CCC(C(=O)O)CC1 9592129 DAEKQLWAZIGHCP-UHFFFAOYSA-N 221.300 2.921 0 40 BFAB O=C(O)c1ccc(NC(=O)C2CCCC2)cc1 13166509 PQHFLDNXONVNSR-UHFFFAOYSA-N 233.267 2.514 0 40 BFAB CCC[C@](C)(O)Cc1ccc(CC)cn1 13209035 LQMGOMNSAKDVPD-ZDUSSCGKSA-N 207.317 2.738 0 40 BFAB C[C@H]1C[C@H](C)CN(C(=O)Nc2cccnc2)C1 15525026 YVFLTQINSDMSMM-QWRGUYRKSA-N 233.315 2.591 0 40 BFAB C[C@H]1[C@@H](C)C1(c1ccccc1)C(C)(C)O 16923703 JNYXYYPXALKAQP-BVUQATHDSA-N 204.313 2.981 0 40 BFAB CCC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 21787041 IQRVMTBVEZWZPN-LBPRGKRZSA-N 243.310 2.636 0 40 BFAB O=C(NCc1ccc(Cl)s1)c1ccco1 25521306 OAQFQNUCYNZUTG-UHFFFAOYSA-N 241.699 2.925 0 40 BFAB CC(=O)Nc1ccc2[nH]c(C(C)C)nc2c1 26440380 VGMUQMCQCPFXNQ-UHFFFAOYSA-N 217.272 2.645 0 40 BFAB Cc1occc1C(=O)Nc1ccc2c(c1)CCO2 31344047 QITYHWWNFZRHRE-UHFFFAOYSA-N 243.262 2.775 0 40 BFAB CC(=O)N(Cc1ccc2[nH]ccc2c1)C1CC1 32105363 KFHKDRNBTMXQGG-UHFFFAOYSA-N 228.295 2.679 0 40 BFAB CN(Cc1ccccc1Cl)C(=O)n1ccnc1 32859695 WNKXECXNXACQOU-UHFFFAOYSA-N 249.701 2.637 0 40 BFAB CC(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1 38284380 TZTFQNVEGWEGCC-SSDOTTSWSA-N 231.217 2.903 0 40 BFAB O=C(c1ccc2ccccc2c1)N1CCC1 40461937 AEOOPSJZMCKMGH-UHFFFAOYSA-N 211.264 2.686 0 40 BFAB C[C@@H](c1ccc(F)cc1)N1CCC(CN)CC1 44511665 YMZPRRPCAKSMHI-NSHDSACASA-N 236.334 2.557 0 40 BFAB CC(C)CSCC(=O)N[C@H](C)c1ccco1 48367355 KARIMIRFBFSKHB-SNVBAGLBSA-N 241.356 2.846 0 40 BFAB Cc1nc(-c2cc(C(=O)O)oc2C)cs1 68590017 QMQJWUNVRSXWDB-UHFFFAOYSA-N 223.253 2.718 0 40 BFAB in-vitro COc1cccc(OC)c1[C@H]1CCCCN1C 72221432 DXYHXYJUDNJIHZ-LLVKDONJSA-N 235.327 2.861 0 40 BFAB Cc1ccc(NC(=O)c2cnco2)cc1C 82322740 XWCGKNIWLQAQNF-UHFFFAOYSA-N 216.240 2.544 0 40 BFAB Cc1occc1-c1nnc(-c2cccc(N)c2)o1 85386091 KTTPUQGMURZUJU-UHFFFAOYSA-N 241.250 2.887 0 40 BFAB C[C@H]1C[C@H](N[C@@H]2C=C[C@H](CO)C2)CC(C)(C)C1 89920167 ZULKVVQKRQNOIE-FQUUOJAGSA-N 237.387 2.728 0 40 BFAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc2ccccc2n1 95955597 CHEMJPMPBZQVFY-KOLCDFICSA-N 226.279 2.829 0 40 BFAB Nc1ccccc1-c1nc2ccncc2s1 113332931 DEKWOUNIBHBDCW-UHFFFAOYSA-N 227.292 2.941 0 40 BFAB O=Cc1cc(N2CCCCC2=O)ccc1Cl 199754420 BAXODBGUAZGPGR-UHFFFAOYSA-N 237.686 2.669 0 40 BFAB O=Cc1cn(C(=O)C(F)(F)F)c2ccccc12 216948784 HFFMXAFCDCIFQJ-UHFFFAOYSA-N 241.168 2.656 0 40 BFAB CCCO[C@@H](Cc1cc(C)cc(C)c1)C(=O)O 225038217 IKGYOPZKWAPEEN-ZDUSSCGKSA-N 236.311 2.726 0 40 BFAB C[C@H]1C[C@@H](C(=O)O)c2c1[nH]c1ccccc21 238493697 FDOUSMDGPRTRSE-IONNQARKSA-N 215.252 2.843 0 40 BFAB Fc1c(C(F)(F)F)ccc2[nH]cnc12 258818867 CUOWUGYLMOSVRB-UHFFFAOYSA-N 204.126 2.721 0 40 BFAB COC(=O)c1ccc(OC)cc1OC(C)(C)C 2362804628 BPSJASXJNIZVQD-UHFFFAOYSA-N 238.283 2.659 0 40 BFAB CCOc1ccc(C(=O)Nc2cccnc2)cc1 311219 BPNQXMURVJKAID-UHFFFAOYSA-N 242.278 2.733 0 40 BFAB O=Cc1nc(-c2ccc(F)cc2)n2ccccc12 564770 GTOQFAFPPYPSKU-UHFFFAOYSA-N 240.237 2.953 0 40 BFAB C[n+]1c([C@]2(C)CCCO2)sc2ccccc21 1610001 GNGHUODNWAMONE-ZDUSSCGKSA-N 234.344 2.751 0 40 BFAB CCCOc1nc2ccc(N)cc2s1 1621205 JPOCEMYBGHYIDI-UHFFFAOYSA-N 208.286 2.667 0 40 BFAB Nc1ccc(-c2ccc(F)cc2)c(C(=O)O)c1F 1726012 GGAXJCSFWAJGJU-UHFFFAOYSA-N 249.216 2.912 0 40 BFAB CC1CCN(c2ccc(C=O)cc2)CC1 2538792 HRKZATGTUGYPBO-UHFFFAOYSA-N 203.285 2.735 0 40 BFAB in-vitro C/C=C/C(=O)OCC(=O)c1cccc(Cl)c1 3228167 OJHZKIDMZOVLMB-DUXPYHPUSA-N 238.670 2.642 0 40 BFAB Cc1cccc(-n2nc3c(c2N)CSC3)c1C 4276276 XPRSFIVEDWGNNE-UHFFFAOYSA-N 245.351 2.818 0 40 BFAB C[C@]1(n2nnc3ccccc32)CC1(Cl)Cl 4776226 CUOGNTJJQMOZST-VIFPVBQESA-N 242.109 2.724 0 40 BFAB COC(=O)Cc1ccc2cc(OC)ccc2c1 6018986 NWIMPGMAVYLECN-UHFFFAOYSA-N 230.263 2.564 0 40 BFAB in-vitro Cc1ccc(NC(=O)n2nc(C)cc2C)cc1 6923137 PMBMPJJROGBRGY-UHFFFAOYSA-N 229.283 2.889 0 40 BFAB C[C@H](O)c1cc(-c2cccc(F)c2)no1 8700505 ASTLODQXKPDEBN-ZETCQYMHSA-N 207.204 2.534 0 40 BFAB O=C(O)CCc1ccc2c(c1)CCCC2 9280481 ZNRVEMZFEBYVIL-UHFFFAOYSA-N 204.269 2.583 0 40 BFAB CCc1ccc(/C=C/C(=O)NCc2ccco2)o1 9668241 RMVPCSYZVRCURW-BQYQJAHWSA-N 245.278 2.765 0 40 BFAB COCCNC(=O)CCc1ccc(C(C)C)cc1 10332207 CECQMIFLUZASOM-UHFFFAOYSA-N 249.354 2.505 0 40 BFAB N[C@H]1CCOc2c(Cl)cc(Cl)cc21 11849023 KJGMEAMNMDDGQA-QMMMGPOBSA-N 218.083 2.776 0 40 BFAB Nc1ccc(Sc2nncs2)c(Cl)c1 19845678 QUOZQXMRUXRXAR-UHFFFAOYSA-N 243.744 2.925 0 40 BFAB in-vitro COc1ccccc1OCC[C@H]1CCCCN1 20221502 NWLPEUOOWNQKIA-GFCCVEGCSA-N 235.327 2.606 0 40 BFAB CC(=O)Cc1c[nH]c2ccc(Cl)cc12 20269420 NKIIAHUNWNEGHJ-UHFFFAOYSA-N 207.660 2.953 0 40 BFAB Cn1cc(-c2nc3ccccc3s2)cn1 32769330 METLFGMLNIBQBP-UHFFFAOYSA-N 215.281 2.697 0 40 BFAB CCC(CC)NC(=O)/C=C/c1csc(C)n1 32895591 CZFYQCISENOLBQ-VOTSOKGWSA-N 238.356 2.770 0 40 BFAB CSCC(=O)N1CCC(c2ccccc2)CC1 32908686 DIWLJHYAKIXSKV-UHFFFAOYSA-N 249.379 2.756 0 40 BFAB Nc1nccc2cc(C(F)(F)F)ccc12 36258026 DPYKWKCCUGWJCZ-UHFFFAOYSA-N 212.174 2.836 0 40 BFAB in-vitro CCCN(CC)c1ccc(C(=O)O)cc1 37095256 LDKICXSBCGMDBA-UHFFFAOYSA-N 207.273 2.621 0 40 BFAB in-vitro Nc1ccc(OCc2ccccc2)c(C(=O)O)c1 37289712 QVOMQIJEQJHLBU-UHFFFAOYSA-N 243.262 2.546 0 40 BFAB CC(=O)N1CCc2ccc(Cl)c(Cl)c2C1 39251478 PSQATYDOUXPBMP-UHFFFAOYSA-N 244.121 2.898 0 40 BFAB O=C(NCCc1cccs1)[C@H]1CC=CCC1 40160165 OPZOUPUISQQARO-NSHDSACASA-N 235.352 2.763 0 40 BFAB Fc1cccc(-c2nc(-c3ccco3)n[nH]2)c1 40164164 HRXKPYPTDRYNEA-UHFFFAOYSA-N 229.214 2.871 0 40 BFAB O=C(CC[C@H]1CCCO1)Nc1ccccc1F 40505939 AXNFBVXINRMXDW-SNVBAGLBSA-N 237.274 2.723 0 40 BFAB COc1ccc(C[C@@H](CC(=O)O)C(C)C)cc1 41269880 FNMUPZJFFRWPEE-LBPRGKRZSA-N 236.311 2.985 0 40 BFAB c1ccc(SC[C@@H]2CCCCN2)cc1 43495082 NUZVSWGFCLEVIL-NSHDSACASA-N 207.342 2.921 0 40 BFAB CCN(CC)CCC[C@@H](C)NC1CCC1 44480036 QIGKIXXJINOCQP-GFCCVEGCSA-N 212.381 2.639 0 40 BFAB CCCc1nccn1Cc1csc(CC)n1 70424363 ZCRZXRXOZXSRRC-UHFFFAOYSA-N 235.356 2.903 0 40 BFAB COc1cccc(CN[C@@H]2CC[C@H](C)C2)c1 70761572 IDNIIWVAZCZVDD-WCQYABFASA-N 219.328 2.973 0 40 BFAB CC(C)C(=O)CC(=O)c1ccccc1F 70953006 QZVZTTXSCRMMNH-UHFFFAOYSA-N 208.232 2.624 0 40 BFAB CN1CCC[C@H]1c1cccnc1N1CCCCC1 72216088 YNVUNOWMIKXFEY-AWEZNQCLSA-N 245.370 2.839 0 40 BFAB CCCOc1cccc(-c2cnc(CN)o2)c1 72220119 LYQCKGBNSFIOQR-UHFFFAOYSA-N 232.283 2.589 0 40 BFAB CC(C)N1CCC[C@@H]1c1cc(C(F)(F)F)[nH]n1 72348460 NNCPJGLPDHUVIL-SECBINFHSA-N 247.264 2.974 0 40 BFAB O=C(CSCc1ccco1)Nc1ccncc1 89797885 BVOVGNDRDPKPHL-UHFFFAOYSA-N 248.307 2.547 0 40 BFAB CC1(NC(=O)c2ccc(Cl)o2)CCC1 89919240 OIZJJYUFRBLBDH-UHFFFAOYSA-N 213.664 2.605 0 40 BFAB CCOC(=O)c1coc(-c2cccc(F)c2)n1 90470916 AWWANHAOJCLJTD-UHFFFAOYSA-N 235.214 2.657 0 40 BFAB CC(=O)c1cc(C(F)(F)F)cnc1Cl 91692964 MTURWIPCZHAYAR-UHFFFAOYSA-N 223.581 2.956 0 40 BFAB CC1(C)[C@H]2C=C(CCN3CCOCC3)C[C@H]1C2 103009457 XCCKSPXZRUJKEI-KBPBESRZSA-N 235.371 2.701 0 40 BFAB CC(C)(C)OC(=O)N[C@H]1COc2ccccc2C1 108644764 GGNZVUXIPRGAHG-LLVKDONJSA-N 249.310 2.515 0 40 BFAB CC[C@@H](C(=O)O)N(C)c1ccccc1Cl 224987525 DNJWCDHNDDULDU-VIFPVBQESA-N 227.691 2.639 0 40 BFAB CCc1ccc(CNCc2ccccc2)[nH]1 226019378 YEPMFBZAENXLRM-UHFFFAOYSA-N 214.312 2.867 0 40 BFAB CCCn1nccc1CNc1ccnn1C(C)C 256054414 WEAGQACHKAPRKP-UHFFFAOYSA-N 247.346 2.683 0 40 BFAB O=C(O)[C@H]1C[C@H]1c1ccc(OCC(F)F)cc1 408716797 QZCCJFWZQBDFBW-UWVGGRQHSA-N 242.221 2.519 0 40 BFAB O=C(NCc1ccc(-c2ccoc2)o1)C1CCC1 575610091 KBESDRCJFBGYIB-UHFFFAOYSA-N 245.278 2.956 0 40 BFAB O=C(O)c1ccc2ncccc2c1C(F)(F)F 1911925630 GMROQCFIKOCMMX-UHFFFAOYSA-N 241.168 2.952 0 40 BFAB O=C(Nc1cnc2ccccc2c1)C1CCC1 412983 UGORQROWTKQFFS-UHFFFAOYSA-N 226.279 2.973 0 40 BFAB CC(C)Cc1ccc([C@@H](C)C(=N)N)cc1 499515 BRAQQUBPTZFZLG-SNVBAGLBSA-N 204.317 2.925 0 40 BFAB CC1CCN(C(=O)/C=C/c2ccco2)CC1 573086 WGNLGDKNOLZJFN-SNAWJCMRSA-N 219.284 2.551 0 40 BFAB CC(=O)Oc1ccc(OC(C)=O)c2ccccc12 1661219 SFAVMNCWIUOBCX-UHFFFAOYSA-N 244.246 2.690 0 40 BFAB biogenic N=C(N1CCCCC1)C(Cl)(Cl)Cl 1758230 ABJRCTRDGMDAGQ-UHFFFAOYSA-N 229.538 2.820 0 40 BFAB CCC1=Nc2ccccc2[C@@]1(C)C(=O)OC 3847661 KDTDHNYUGROEJL-CYBMUJFWSA-N 217.268 2.613 0 40 BFAB biogenic Cc1ccn2cc(-c3nonc3C)cc2c1 5017722 LINODUCFMAMRFQ-UHFFFAOYSA-N 213.240 2.606 0 40 BFAB CC[C@@H](C)NC(=O)Nc1ccccc1OC 5467685 PEHHDRFSEAJZTO-SECBINFHSA-N 222.288 2.615 0 40 BFAB CC(=O)c1cccc(NC(=S)NC(C)C)c1 6538628 LIWLRWYPVNSVOZ-UHFFFAOYSA-N 236.340 2.584 0 40 BFAB CN(Cc1ccccc1Cl)C(=O)NC1CC1 12915332 DMIMNMZLPUJHBL-UHFFFAOYSA-N 238.718 2.644 0 40 BFAB CC(C)N1CCN([C@@H]2CCC[C@@H](C)C2)CC1 19626681 LVBUTDHJTGWQAN-ZIAGYGMSSA-N 224.392 2.591 0 40 BFAB Cc1ccc(SCc2cc(=O)c(O)co2)cc1 19928430 DIGIPUKDOUXMTL-UHFFFAOYSA-N 248.303 2.946 0 40 BFAB CC1(C)CO[C@@H](c2ccccc2Cl)N1 31638384 RICFQRVXDUZKTL-JTQLQIEISA-N 211.692 2.737 0 40 BFAB O=Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 32627801 RIMOQNXDOVWXGJ-UHFFFAOYSA-N 240.184 2.704 0 40 BFAB in-vitro Cc1ccccc1CN(C)C(=O)C1CCC1 33000260 ROULEDOAXPLVQK-UHFFFAOYSA-N 217.312 2.754 0 40 BFAB C[C@H](C(=O)O)C1CCN(Cc2ccccc2)CC1 33487594 COVLHGVAWGONRH-LBPRGKRZSA-N 247.338 2.619 0 40 BFAB Cc1ccccc1NC(=O)CN[C@H](C)CC(C)C 37264875 JFDIWJKLEDEEGT-CYBMUJFWSA-N 248.370 2.958 0 40 BFAB O=C(O)CCc1cccc(C(F)(F)F)c1F 38529596 BECBKFBRQWIGIE-UHFFFAOYSA-N 236.164 2.862 0 40 BFAB c1ccc(NCc2nc(-c3ccco3)no2)cc1 40057057 VXAIRCTWFIZVNB-UHFFFAOYSA-N 241.250 2.942 0 40 BFAB Cc1cc(OC[C@H]2CCNC2)ccc1Cl 42772948 YJRJKLILZBWKRR-JTQLQIEISA-N 225.719 2.637 0 40 BFAB Clc1cccc(S[C@@H]2CCNC2)c1 54186229 DNZDAGFWCBBVEH-SNVBAGLBSA-N 213.733 2.794 0 40 BFAB CC(=O)Oc1ccc(C(C)(C)C)cc1C(=O)O 57339551 JIAQBCQTAFAXOV-UHFFFAOYSA-N 236.267 2.608 0 40 BFAB CCCCC(=O)N1CCCc2ncccc21 69416553 KRYVBUYWHSTTAB-UHFFFAOYSA-N 218.300 2.551 0 40 BFAB CNCc1cccc(OCCC(F)(F)F)c1 70911778 IHCDHOMBYNHYRF-UHFFFAOYSA-N 233.233 2.737 0 40 BFAB C[C@H]1CCCCN1C(=O)[C@H]1Cc2ccccc21 71916453 KQIIKRRNZJYVDH-FZMZJTMJSA-N 229.323 2.727 0 40 BFAB Cc1cc([C@@H]2CCCCN2C(C)C)c[nH]c1=O 72217977 PPJKZGUCQZIBAJ-ZDUSSCGKSA-N 234.343 2.619 0 40 BFAB Cc1cccc(NC(=O)CC2CCN(C)CC2)c1 74920983 YQGIIOKBLYRIDZ-UHFFFAOYSA-N 246.354 2.665 0 40 BFAB C[C@@H]1CCCN(C(=O)c2cccc(N(C)C)c2)C1 74933099 HFMBNAUEMJPLTO-GFCCVEGCSA-N 246.354 2.625 0 40 BFAB Cc1ccccc1Oc1ccc(C(=O)O)nc1 84019111 VGMKSSALQMFMFJ-UHFFFAOYSA-N 229.235 2.881 0 40 BFAB Cc1ccc(C=O)c(NC(=O)OC(C)(C)C)n1 95096651 XHCVBZIKKDODKR-UHFFFAOYSA-N 236.271 2.550 0 40 BFAB CCn1nccc1-c1nc2c(F)cccc2n1C 95435528 DXTFUFWBONMPHD-UHFFFAOYSA-N 244.273 2.596 0 40 BFAB CCc1cc(OCCCO)c2ccccc2n1 95988732 WUEKRVFEYPIRIQ-UHFFFAOYSA-N 231.295 2.558 0 40 BFAB Cc1nn(-c2nc3ccccc3s2)c(O)c1C 100129765 GSCNITZDCMYHCN-UHFFFAOYSA-N 245.307 2.804 0 40 BFAB COc1ccc(C(=O)O)c2sccc12 108273540 UYJLHWXQJRNOHH-UHFFFAOYSA-N 208.238 2.608 0 40 BFAB Brc1cccc2c1nnn2C1CC1 213024262 RISJXQYOVOCREU-UHFFFAOYSA-N 238.088 2.529 0 40 BFAB Cc1cc(C(=O)O)cn1C1CCCCC1 223749800 PXQWHNPAVBWNLV-UHFFFAOYSA-N 207.273 3.000 0 40 BFAB CCc1cc(N)ccc1-c1ccc(C(=O)OC)o1 226314905 WYESZOFIKGIWNR-UHFFFAOYSA-N 245.278 2.878 0 40 BFAB CC(=O)N1c2ccc(Cl)cc2[C@@H]2O[C@H]2[C@H]1C 242548027 KZLDEALJKUALKL-LNCSFIOASA-N 237.686 2.535 0 40 BFAB c1ccc(N2CCC(c3ccncc3)CC2)nc1 257293698 QQTHHCGYMSVQAK-UHFFFAOYSA-N 239.322 2.861 0 40 BFAB Cc1ccccc1Cc1nnc2n1CCCC2 258110637 GDXBAAIIERIZCU-UHFFFAOYSA-N 227.311 2.514 0 40 BFAB Cc1cnc([C@H](C)N2CCCC3(CC3)C2)cn1 335893389 LLCPBWYUGQUZSF-LBPRGKRZSA-N 231.343 2.722 0 40 BFAB c1ccc(CNc2nc3cnccc3s2)nc1 703282362 AYQWIZJUYPQUOY-UHFFFAOYSA-N 242.307 2.698 0 40 BFAB FC1(F)CCN(CCOc2ccccc2)CC1 796537522 KLLHPMVXKHKPLM-UHFFFAOYSA-N 241.281 2.797 0 40 BFAB Cc1ccc(-n2cnc(C)n2)c(Cl)c1 2362803537 JAWOTECPGFDQDJ-UHFFFAOYSA-N 207.664 2.538 0 40 BFAB C[C@@H]1CCCN(C(=O)c2cccs2)C1 172455 XQMMCJOEGKKEBJ-SECBINFHSA-N 209.314 2.620 0 40 BFAB Fc1ccc2c(c1)c1c3n2CCN[C@@H]3CCC1 365765 IMKFWNAJMPWGDQ-GFCCVEGCSA-N 230.286 2.761 0 40 BFAB biogenic CNc1ccccc1C(=O)NCc1ccccc1 556149 ZZBQSMGHRZEZIB-UHFFFAOYSA-N 240.306 2.658 0 40 BFAB CNC(=O)Oc1ccccc1[C@H]1C=CCC1 1571318 ZPZSGXXMMPWKEP-JTQLQIEISA-N 217.268 2.838 0 40 BFAB COc1cc(-c2cccc(O)c2)cc2c1OCO2 5999042 RZEQCWOSRBVTLN-UHFFFAOYSA-N 244.246 2.797 0 40 BFAB biogenic,in-vitro Oc1cccc2ccc(N3CCCC3)nc12 11920108 VFXNXIAJNHKLIN-UHFFFAOYSA-N 214.268 2.541 0 40 BFAB in-vitro CC(C)c1cc(N)n(-c2ccc(F)cc2)n1 12396068 HSKDQHYGJZHGKA-UHFFFAOYSA-N 219.263 2.717 0 40 BFAB O=C(NC1CCCC1)[C@@H]1Cc2ccccc2S1 14267187 WOGHONOXLYQEKZ-ZDUSSCGKSA-N 247.363 2.762 0 40 BFAB Cc1nc(-c2ccc(F)cc2)sc1CO 15014880 JENCFLAMJRGILT-UHFFFAOYSA-N 223.272 2.750 0 40 BFAB O=C(O)c1ccnc(Oc2cccc(F)c2)c1 19812983 RSLZWZGSIVOQQS-UHFFFAOYSA-N 233.198 2.711 0 40 BFAB CCn1cc(NCc2ccccc2OC)cn1 20350415 MMHKWWSJGZQAAZ-UHFFFAOYSA-N 231.299 2.524 0 40 BFAB CC[C@H](Oc1ccccc1C)C(=O)NC(C)C 22521793 LDEUGCZDRQHADG-LBPRGKRZSA-N 235.327 2.677 0 40 BFAB CCOC(=O)c1cnc(-c2cccc(C)c2)nc1 25336323 JNPNGYQLLZTRIT-UHFFFAOYSA-N 242.278 2.629 0 40 BFAB Cc1cc(C(=O)N2CCCC[C@@H]2C)c(C)o1 28225664 PCDGUVAFWVFVPI-VIFPVBQESA-N 221.300 2.911 0 40 BFAB CC(C)(C)c1ccc2[nH]ccc(=O)c2c1 35731137 SBXZPWYHJMOZGN-UHFFFAOYSA-N 201.269 2.826 0 40 BFAB Clc1cc(Cl)cc(OC[C@H]2CO2)c1 36814215 WINSUAJGKBCXIF-VIFPVBQESA-N 219.067 2.771 0 40 BFAB in-vitro O=C(NCC1(c2cccs2)CC1)C1CCC1 38592919 RAFDMSFDERCPEX-UHFFFAOYSA-N 235.352 2.696 0 40 BFAB Nc1ccc([C@H]2OCCc3ccccc32)cc1 39345811 MULCWBNXWABNJA-OAHLLOKOSA-N 225.291 2.931 0 40 BFAB in-vitro O=C(c1ccccc1)N1C[C@@H]1c1ccccc1 39471058 TZBCQZDVMUNWPG-IURRXHLWSA-N 223.275 2.884 0 40 BFAB CC(C)NC(=O)CCc1ccc(Cl)cc1 40995219 RSWVHLCQBWWZTI-UHFFFAOYSA-N 225.719 2.797 0 40 BFAB COc1ccc([C@H](O)C(F)(F)F)c(Cl)c1 41043165 XRDILTZZANPHPJ-QMMMGPOBSA-N 240.608 2.944 0 40 BFAB O=C1CCCCC[C@H]1C(=O)c1ccco1 43651206 GYOPMQGIYDWGCI-SECBINFHSA-N 206.241 2.612 0 40 BFAB CC[C@@H](Cc1ccc(F)cc1F)C(=O)O 50885447 VGCKFHPPNZKTHK-ZETCQYMHSA-N 214.211 2.618 0 40 BFAB O=C(Nc1cc(F)cc(F)c1)C1CCC1 57858499 UJDDZSMIGUBIAM-UHFFFAOYSA-N 211.211 2.703 0 40 BFAB Cc1ccc(/C=C/C(=O)OC(C)C)cc1 62714673 OBIOUMHEIQQDFV-CMDGGOBGSA-N 204.269 2.960 0 40 BFAB CCN(C(=O)c1cc2c(s1)CCC2)C1CC1 65584871 DXGUZUGZKLQQQX-UHFFFAOYSA-N 235.352 2.861 0 40 BFAB Cc1cc(-c2nc(-c3cccs3)no2)n(C)n1 69705205 LSCUFHGYMURPEO-UHFFFAOYSA-N 246.295 2.507 0 40 BFAB CNc1ccc([C@H]2CCCN2CC(C)C)cn1 72212479 BJCOIXQBWXAJLI-CYBMUJFWSA-N 233.359 2.916 0 40 BFAB CCN1CCC[C@H]1c1ccc(S)nc1 72216993 CVLYDEHHZLVASQ-JTQLQIEISA-N 208.330 2.527 0 40 BFAB COc1cccc(-c2c[nH]nc2[C@@H]2CCCN2)c1 72379958 UKUKVTKYOLSSGP-ZDUSSCGKSA-N 243.310 2.510 0 40 BFAB C[C@@H](c1nc2ccc(F)cc2[nH]1)N1CCCC1 74322442 PSZXPYRSVPWCAG-VIFPVBQESA-N 233.290 2.859 0 40 BFAB CC[C@H](C)CN(C)C(=O)NCc1ccsc1 78924940 YWGSWTZIPSWCIN-JTQLQIEISA-N 240.372 2.936 0 40 BFAB O=C(c1ccon1)N(CC1CC1)c1ccccc1 84242364 DQSZENCPRIRESK-UHFFFAOYSA-N 242.278 2.731 0 40 BFAB Cc1c(F)cc(C(=O)O)cc1OCC(C)C 95095507 OGNPWEAMBPUZDO-UHFFFAOYSA-N 226.247 2.867 0 40 BFAB CC[C@H](O)Cc1ccc(Cl)c(F)c1 95740265 WEBKNROGAVSTLO-QMMMGPOBSA-N 202.656 2.793 0 40 BFAB CC(C)c1ccc(Oc2nn(C)cc2N)cc1 95836624 DCRCGMOYYBZOMU-UHFFFAOYSA-N 231.299 2.918 0 40 BFAB c1ccc(CN2CC[C@H](n3cccc3)C2)cc1 95919700 HWAUQYVMORFNEA-HNNXBMFYSA-N 226.323 2.935 0 40 BFAB CCN1CC[C@@H](NCCCC(C)C)[C@H](C)C1 95967203 PKAFQOIFROJWGF-ZIAGYGMSSA-N 226.408 2.743 0 40 BFAB C[C@H](O[C@@H]1CCNC1)c1ccccc1Cl 96529838 UETHPUBDRLDRHJ-VHSXEESVSA-N 225.719 2.780 0 40 BFAB Cc1csc(-c2nc(O)c3sccc3n2)n1 97115160 NDHHFPQJZGGHBF-UHFFFAOYSA-N 249.320 2.829 0 40 BFAB CN(CCC(C)(C)C)Cc1ccncc1 188384508 MONDPZUWAMXPIO-UHFFFAOYSA-N 206.333 2.950 0 40 BFAB CC(C)(C)CCSCC(=O)N1CCCC1 195573126 UUCKFKJVOUIHIH-UHFFFAOYSA-N 229.389 2.778 0 40 BFAB Cc1cn[nH]c1[C@H]1CCCCN1CC1CC1 205688096 XUFXUPIHKOPARP-GFCCVEGCSA-N 219.332 2.655 0 40 BFAB CCOC[C@H](C)N[C@@H](C)[C@H]1COc2ccccc21 245338845 OWDFZDKWYLCZHR-SGMGOOAPSA-N 249.354 2.566 0 40 BFAB C[C@H](N[C@H]1CSC1(C)C)C(C)(C)C 307108467 KAPWCVKQFRVOTQ-IUCAKERBSA-N 201.379 2.905 0 40 BFAB CCN(C(=O)Nc1c(C)cccc1C)C1COC1 334500789 ZFXBMMMEWGHHJG-UHFFFAOYSA-N 248.326 2.556 0 40 BFAB C[C@H](NC(=O)c1ccncc1)c1ccccc1 142365 PXAJVLWTDLKLRV-NSHDSACASA-N 226.279 2.573 0 40 BFAB Cc1nnc(NC(=O)CCC2CCCC2)s1 364480 OOJNLPHKFGKYMP-UHFFFAOYSA-N 239.344 2.755 0 40 BFAB Clc1ccc(Nc2ncnc3[nH]cnc23)cc1 4106424 SBPCFRGLUFVLAC-UHFFFAOYSA-N 245.673 2.750 0 40 BFAB Cc1c(Cl)c(=O)oc2c(C)c(O)ccc12 4648779 ANWOOWDBJVPAHR-UHFFFAOYSA-N 224.643 2.769 0 40 BFAB Cc1cc(=O)[nH]c2ccc(C(F)(F)F)cc12 5401863 NTCSDFARFHOXLJ-UHFFFAOYSA-N 227.185 2.855 0 40 BFAB CNC(=S)Nc1ccc(C)c(Cl)c1 6488204 PLAHBCQPLXYZEO-UHFFFAOYSA-N 214.721 2.565 0 40 BFAB CC(=O)c1ccc(-c2ccc(CO)o2)cc1 8727755 UVLDADJOORRTMN-UHFFFAOYSA-N 216.236 2.642 0 40 BFAB CC1CCN(CCOc2ccccc2C=O)CC1 9237565 BXJDSPKEQLSJQN-UHFFFAOYSA-N 247.338 2.610 0 40 BFAB CN(C)CC[C@@H](O)c1ccc(Cl)c(Cl)c1 12649737 MXOPILVGQYKXRO-LLVKDONJSA-N 248.153 2.979 0 40 BFAB c1nc(NC2CCCCCCC2)c2nc[nH]c2n1 13629983 MHIHFHFPXUQZSZ-UHFFFAOYSA-N 245.330 2.878 0 40 BFAB Fc1ccc(Cn2cc[nH]c2=S)cc1 13776309 AWRNKBMEDXPMIN-UHFFFAOYSA-N 208.261 2.733 0 40 BFAB Cc1ccc(OCC[C@H]2CCCNC2)cc1 14632374 KFDOEPSKFIMJDM-CYBMUJFWSA-N 219.328 2.764 0 40 BFAB COC(=O)c1ccc(C(F)(F)F)cc1OC 14909875 IQJONCSBFGWAGB-UHFFFAOYSA-N 234.173 2.501 0 40 BFAB O=C(O)c1cc(SC(F)(F)F)ccc1O 15442407 DJJHXLKWYRDHRZ-UHFFFAOYSA-N 238.186 2.702 0 40 BFAB Cc1nc(CNC(=O)c2ccccc2C)cs1 15832146 HDXVTTXOBSIGJN-UHFFFAOYSA-N 246.335 2.690 0 40 BFAB c1ccc(NC2CCC3(CC2)OCCO3)cc1 19879600 LCBVJLJPASNXKE-UHFFFAOYSA-N 233.311 2.784 0 40 BFAB CC[C@H](C)Nc1ccc(OC)cc1OC 19903476 QGOHFKDBVLSCRH-VIFPVBQESA-N 209.289 2.914 0 40 BFAB Cc1ccc(C(=O)Nc2ccccc2C)cn1 25506162 BVSYCRMRZIUHHQ-UHFFFAOYSA-N 226.279 2.951 0 40 BFAB Cc1cccc(NC(=O)N2CCSC2)c1 28232194 ZZFVQJRSMAWCGB-UHFFFAOYSA-N 222.313 2.533 0 40 BFAB CCOc1ccc([C@@H](C)NC(=O)NC2CC2)cc1 32860275 RQPGRJNEJCVHEO-SNVBAGLBSA-N 248.326 2.608 0 40 BFAB O=C(Nc1cccc(Cl)c1)N1CCSC1 35585839 ZOEXHNWWFKOIFH-UHFFFAOYSA-N 242.731 2.878 0 40 BFAB CCN(CC)[C@H](CN)c1cccc(Cl)c1 38809130 GLBVFNUJUIUURU-GFCCVEGCSA-N 226.751 2.682 0 40 BFAB Cc1ccccc1COCC[C@H]1CCCNC1 42771873 FTNSSUDICVDDMJ-CQSZACIVSA-N 233.355 2.901 0 40 BFAB CCC[C@H](C)CN[C@H](CC(C)C)C(=O)O 43432827 YWROCUZPDHDFNE-WDEREUQCSA-N 215.337 2.512 0 40 BFAB O=C(Nc1cc(Cl)ccc1F)NC1CC1 43528309 TYXDHBGLCOTXDC-UHFFFAOYSA-N 228.654 2.763 0 40 BFAB CCOC(=O)c1c[nH]c2ccc(C)cc12 44200578 YHDOEUDINHQBDO-UHFFFAOYSA-N 203.241 2.653 0 40 BFAB COc1ccc(CN(C)C(=O)C(C)(C)C)cc1 44818736 FZYRKQVOBPUZFE-UHFFFAOYSA-N 235.327 2.700 0 40 BFAB Cc1csc(NC(=O)c2cc(Cl)c[nH]2)n1 44872237 LSLQUOMRBQFNPE-UHFFFAOYSA-N 241.703 2.685 0 40 BFAB COC(=O)c1cc(Cl)nc2ccc(F)cc12 45796209 NVTKBFWNCSYDPE-UHFFFAOYSA-N 239.633 2.814 0 40 BFAB Cc1nc(CSc2ncccc2Cl)no1 48331588 HJLWCPIIKLUOHL-UHFFFAOYSA-N 241.703 2.719 0 40 BFAB COC[C@@H](C)NCCc1ccc(Cl)cc1 53172447 MCUFRNZKFBHPBP-SNVBAGLBSA-N 227.735 2.507 0 40 BFAB CN1CCCC[C@@H]1c1cccnc1S 72217075 RJEMTVBFPQLYSL-SNVBAGLBSA-N 208.330 2.527 0 40 BFAB CCOC(=O)c1[nH]ccc1-c1cccc(F)c1 92721682 CFNXYEHERQVENT-UHFFFAOYSA-N 233.242 2.998 0 40 BFAB c1cc(CN2CCOCC23CCCC3)cs1 93840761 ZWRZFDOHGWRGCT-UHFFFAOYSA-N 237.368 2.893 0 40 BFAB CCOc1c(Cl)csc1C(=O)OC 96510943 IEQTUIKLKBHLNW-UHFFFAOYSA-N 220.677 2.587 0 40 BFAB CN(C)CCCN1C[C@@H]2CC[C@@](C)(C1)C2(C)C 104391600 XOLYOIFACSAJQL-ZFWWWQNUSA-N 238.419 2.696 0 40 BFAB CC(C)c1cccc(C(C)C)c1[C@@H](N)CN 117198828 VFSODTOUXYOMAM-ZDUSSCGKSA-N 220.360 2.892 0 40 BFAB Cc1ccc(CN2CC[C@@H](c3ccn[nH]3)C2)cc1 257302886 SEVHHAWUTURHOY-CQSZACIVSA-N 241.338 2.708 0 40 BFAB O=C(Nc1ccc(Cl)cc1)C(F)(F)F 137627 PEFCIPXJRCETGI-UHFFFAOYSA-N 223.581 2.841 0 40 BFAB CC[C@@]1(C)Cc2c(sc3ncnc(N)c23)CO1 554197 XXYCCFUVLDEDFW-LBPRGKRZSA-N 249.339 2.515 0 40 BFAB CC1=N/C(=C\c2cccc(Cl)c2)C(=O)O1 5722776 PPAQRXQTAMCHKR-POHAHGRESA-N 221.643 2.656 0 40 BFAB CCCCCNCc1ccc(OC)cc1OC 7261314 UZLATJQHLTUOOR-UHFFFAOYSA-N 237.343 2.984 0 40 BFAB CCNC(=O)[C@@H](CC)Oc1ccc(Cl)cc1 8558343 QIIMBJQQBCDUGY-LLVKDONJSA-N 241.718 2.634 0 40 BFAB CCONC(=O)c1ccc2cc(OC)ccc2c1 10278186 IVTOTWPXKWBEEL-UHFFFAOYSA-N 245.278 2.530 0 40 BFAB Cc1ccc(C(C)C)c(O[C@H]2CCNC2)c1 14632209 OCXGGVWBPIZLFK-LBPRGKRZSA-N 219.328 2.859 0 40 BFAB in-vitro O=C(O)/C=C\c1ccc2c(c1)CCCC2 17161760 YUQNQGDQNKUERN-VURMDHGXSA-N 202.253 2.663 0 40 BFAB C[C@@H](N)c1ccc(OCC(F)(F)F)cc1 22166219 ZARTWYNUPAMSJI-SSDOTTSWSA-N 219.206 2.647 0 40 BFAB Cc1noc(C(C)C)c1C(=O)Nc1ccccn1 22691199 BLPIKOIUNVGJNE-UHFFFAOYSA-N 245.282 2.754 0 40 BFAB CCC(C)(C)NC(=O)c1cc(C)oc1C 32666619 FUFXLMPIYBIMIY-UHFFFAOYSA-N 209.289 2.815 0 40 BFAB CCN(CC)C(=O)[C@H]1CCCc2ccccc21 32755291 OUGXDIWHVPMEKI-AWEZNQCLSA-N 231.339 2.975 0 40 BFAB CC(C)=C[C@H]1[C@@H](C(=O)N2CCCC2)C1(C)C 32843259 OILFIJKSVULUJO-RYUDHWBXSA-N 221.344 2.847 0 40 BFAB Cc1ccc(NC(=O)CN(C)[C@H](C)C2CC2)cc1 32906871 QDERBLXIXDNQBC-GFCCVEGCSA-N 246.354 2.664 0 40 BFAB Nc1nc(Br)c(Cl)cc1Cl 34135200 ISNATVJFXVDHOT-UHFFFAOYSA-N 241.903 2.733 0 40 BFAB in-vitro CC(C)CN[C@H]1CCc2ccccc2C1 34994903 ITOKIOVREYXDHH-AWEZNQCLSA-N 203.329 2.790 0 40 BFAB CC(C)(C)Nc1nc2c(Cl)ncnc2s1 35837664 DSMVVPYNGDOPDP-UHFFFAOYSA-N 242.735 2.950 0 40 BFAB CCc1ccc([C@H](C)NCc2nccn2C)cc1 37978981 WUFBSMAMCDTGLU-LBPRGKRZSA-N 243.354 2.833 0 40 BFAB Clc1cc(N2CCCCCC2)ncn1 40422311 HXPNPJIAXIADEM-UHFFFAOYSA-N 211.696 2.510 0 40 BFAB CCONC(=O)c1cc2ccc(C)cc2nc1C 40514015 IAFGZUUVGBXMOD-UHFFFAOYSA-N 244.294 2.533 0 40 BFAB Cc1ccccc1CS[C@H](C)C(=O)NC1CC1 58172234 QOJGTQQYIWXLSA-LLVKDONJSA-N 249.379 2.895 0 40 BFAB C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)c1ccccc1O2 59488100 MKMMJIMTRNRYJG-GHMZBOCLSA-N 245.322 2.961 0 40 BFAB CCOc1ccc2sc(C(=O)O)cc2c1 62709762 BTFJUMAANJMMGB-UHFFFAOYSA-N 222.265 2.998 0 40 BFAB CC(C)CNc1ccc([C@@H]2CCCCN2)cn1 72213326 IXTOBADONOGDJO-ZDUSSCGKSA-N 233.359 2.964 0 40 BFAB COc1ccc([C@@H]2CCCCNC2)cc1 74934276 LMUYBXXGHQFWSY-GFCCVEGCSA-N 205.301 2.552 0 40 BFAB O=C(O)[C@H]1CCCc2nc(-c3ccccc3)cn21 75923249 YCXDBCQHYQKZAD-GFCCVEGCSA-N 242.278 2.512 0 40 BFAB O=C(O)CCc1ccsc1Br 83334920 KEKHKJAQKJZWQF-UHFFFAOYSA-N 235.102 2.528 0 40 BFAB COCCSCc1ccn(-c2ccccc2)n1 95351476 TUSSESRCGTYTSS-UHFFFAOYSA-N 248.351 2.752 0 40 BFAB CCOc1cc(C(=O)C(F)(F)F)ccc1F 95731940 CMYCZUWUDZUYHX-UHFFFAOYSA-N 236.164 2.969 0 40 BFAB CC(C)n1cc(N)c(NCc2ccccc2)n1 95836714 QMFWZAIBRXAJLI-UHFFFAOYSA-N 230.315 2.658 0 40 BFAB CCCn1cc(N[C@H](C)Cc2ccncc2)cn1 95991568 GQJSEKPVDLWAOZ-GFCCVEGCSA-N 244.342 2.731 0 40 BFAB CN1CCCCC12CCN(Cc1ccoc1)CC2 96051191 FCPNTAWGFYWVIA-UHFFFAOYSA-N 248.370 2.730 0 40 BFAB c1coc(CNc2ccc3cn[nH]c3c2)c1 96781090 MSJLCOOJSOLLPK-UHFFFAOYSA-N 213.240 2.768 0 40 BFAB CC(C)COC[C@H](C)N[C@H]1CCCSC1 97370872 CXJFPFRBPGAMIX-RYUDHWBXSA-N 231.405 2.533 0 40 BFAB CC(C)CSc1ccc2nccnc2n1 104332955 RLBZNFFUBIWBRE-UHFFFAOYSA-N 219.313 2.773 0 40 BFAB CCCCc1ccc(C[C@H](C(=O)O)N(C)C)cc1 107843510 XRRRHEJBVHXKGE-CQSZACIVSA-N 249.354 2.587 0 40 BFAB COCOc1cc(Br)ccc1F 114964968 QPPIRZVESLIANI-UHFFFAOYSA-N 235.052 2.571 0 40 BFAB CCOC(=N)c1ccc(Br)cc1F 116316016 OESIIETZSJFIDL-UHFFFAOYSA-N 246.079 2.950 0 40 BFAB CC(C)CCNCc1cnn(CC(C)C)c1 134777102 RCCBWQFVMYVAIM-UHFFFAOYSA-N 223.364 2.675 0 40 BFAB CC(C)CCO[C@H]1CN[C@H](CC(C)C)C1 217860712 BUMMCWGQGWTXCH-CHWSQXEVSA-N 213.365 2.826 0 40 BFAB Cc1ccc(C)c2c(NCCCN)ccnc12 222677011 KYLMMTMQCUXJMM-UHFFFAOYSA-N 229.327 2.612 0 40 BFAB O=C(O)[C@@H]1C[C@H]1c1ccccc1OCC(F)F 408716092 ITSZTAGLDKTSAB-DTWKUNHWSA-N 242.221 2.519 0 40 BFAB COc1ccc2c(c1)C[C@@H](C)c1sc(=N)[nH]c1-2 408722548 KFLFYEBFACLCJK-SSDOTTSWSA-N 246.335 2.891 0 40 BFAB Nc1ccc(Cl)c([C@H](O)C(F)(F)F)c1 675049151 WVUFRXBHXKLBLT-ZETCQYMHSA-N 225.597 2.518 0 40 BFAB Cc1ccc(-c2cc3nc(C)cc(N)n3n2)cc1 208677 HKEXOIWRQUNRSQ-UHFFFAOYSA-N 238.294 2.595 0 40 BFAB O=C(NCc1cccnc1)Nc1ccc(F)cc1 393480 RLHSSRSDLZYQPT-UHFFFAOYSA-N 245.257 2.542 0 40 BFAB O=C(O)c1c2c(nc3ccc(F)cc13)CCC2 421759 GQDGXIDEQRWWKN-UHFFFAOYSA-N 231.226 2.561 0 40 BFAB CCOc1ccccc1C(=O)Nc1cccnc1 481976 DZPRSWPPJPRPDH-UHFFFAOYSA-N 242.278 2.733 0 40 BFAB Nc1ccc([C@H]2CC2(Cl)Cl)cc1 1439834 SUXCRRZYROZECQ-MRVPVSSYSA-N 202.084 2.930 0 40 BFAB Cc1ccc(F)cc1-n1cccc1C=O 1527086 SAOZQNDHZBNLCQ-UHFFFAOYSA-N 203.216 2.737 0 40 BFAB CC[C@H](C)n1c(C)cc(=O)n1[C@H](C)CC 1710356 RBKMMZIPXVUYCG-VHSXEESVSA-N 210.321 2.900 0 40 BFAB C[C@]1(O)c2ccccc2-c2nc3ccccc3nc21 2043551 ZJCSMEVAKGJBJA-INIZCTEOSA-N 248.285 2.866 0 40 BFAB CC(C)(Nc1ccc(Cl)cc1)C(=O)O 4253337 OIWFXFNZHAOBJP-UHFFFAOYSA-N 213.664 2.615 0 40 BFAB COc1ccc(CCC2CCNCC2)cc1 4312788 CBHRLPOIZTWXCI-UHFFFAOYSA-N 219.328 2.627 0 40 BFAB in-vitro NC(=O)c1ccccc1OCc1ccccc1F 5346751 OQPHVTHDVPINEQ-UHFFFAOYSA-N 245.253 2.504 0 40 BFAB CC(C)C[C@@H](C)NCCOC(=O)c1ccccc1 5454283 UMXJALFJEQVXKW-CYBMUJFWSA-N 249.354 2.868 0 40 BFAB CC(=O)NCc1ccc(Cl)c(Cl)c1 5900026 HRLZLKKZIFBYPI-UHFFFAOYSA-N 218.083 2.630 0 40 BFAB CCc1ccc(C(=S)NC[C@@H]2CCCO2)cc1 9188262 MDXDJDKQUNXNHG-ZDUSSCGKSA-N 249.379 2.693 0 40 BFAB CCCC[C@]1(C)NC(=S)N(CCC(C)C)N1 9189216 LJTUAIDVMUMWPH-GFCCVEGCSA-N 243.420 2.634 0 40 BFAB Cc1c2c(C(F)F)cc(=O)[nH]c2nn1C(C)C 12397844 REEKLCQJKNYVJG-UHFFFAOYSA-N 241.241 2.552 0 40 BFAB FC(F)(F)CSc1nnc(-c2ccc[nH]2)o1 12923850 NWTNJTQEIROPPA-UHFFFAOYSA-N 249.217 2.719 0 40 BFAB O=C(Nc1cccc2c1CCCC2)[C@H]1CCCO1 12977122 NHILHOFDCUTEMB-CQSZACIVSA-N 245.322 2.683 0 40 BFAB CC(=O)[C@@H](C)CCCCC[C@@H]1C=CC(=O)O1 14490848 MSOHKYKACHEERC-CMPLNLGQSA-N 224.300 2.644 0 40 BFAB biogenic,in-vitro COc1ccc([C@@H](N)c2ccc(F)cc2)cc1 19414144 BNMHRRISVPBHAR-AWEZNQCLSA-N 231.270 2.882 0 40 BFAB in-vitro O=C(c1ccco1)N1CCc2sccc2C1 21626775 RXHBICXBVNJFOY-UHFFFAOYSA-N 233.292 2.540 0 40 BFAB Cc1ccc2sc(NCCN(C)C)nc2c1C 26424065 LMBBNAFVDSRQFK-UHFFFAOYSA-N 249.383 2.887 0 40 BFAB CCOc1ncccc1NC(=O)[C@H]1CC=CCC1 27515594 AVNYAEIQJDRNOU-NSHDSACASA-N 246.310 2.775 0 40 BFAB C[C@H]1SCCN1C(=O)Nc1ccccc1 28232219 KWXIMEFYCLPUIQ-SECBINFHSA-N 222.313 2.613 0 40 BFAB CSCCC(=O)N1CCC[C@@H]2CCCC[C@@H]21 32819605 KDTVQBRNAXGWIK-RYUDHWBXSA-N 241.400 2.921 0 40 BFAB C[C@H]1C[C@@H](C)CN([C@H](C(=O)O)c2ccccc2)C1 36314229 MWFQTSRXJJVKFN-SCRDCRAPSA-N 247.338 2.790 0 40 BFAB CCCCC(=O)c1ccc(OC(C)=O)cc1 39641993 CJWHNWFWIMUVDH-UHFFFAOYSA-N 220.268 2.985 0 40 BFAB CCCCCCNC(=O)N[C@@H](C)CC 39971585 XZJYTTHBEZBVGM-JTQLQIEISA-N 200.326 2.664 0 40 BFAB O=C(NCC1CC1)c1ccccc1C(F)(F)F 40493554 SIPCUBAWQLAMRX-UHFFFAOYSA-N 243.228 2.845 0 40 BFAB CC(C)c1noc([C@H](C)N2CCCCC2)n1 40496414 GEMKLYYQKZPKGT-JTQLQIEISA-N 223.320 2.740 0 40 BFAB COc1ccccc1SCCC(C)=O 41030992 PYMCIFQTJFXNNQ-UHFFFAOYSA-N 210.298 2.766 0 40 BFAB CCC[C@H](CN)c1ccc(OC)c(OC)c1 41242820 MXDXFEGLTHNAPD-LLVKDONJSA-N 223.316 2.546 0 40 BFAB C[C@@H]1Oc2c(F)cc(Br)cc2C1=O 49850996 JIVUCCWRHOXFKC-BYPYZUCNSA-N 245.047 2.552 0 40 BFAB C[C@H](O)c1ccc(F)cc1Br 64370236 LPYZIWSUVOQESX-YFKPBYRVSA-N 219.053 2.642 0 40 BFAB CCNCCCc1c[nH]c2ccccc12 70631175 MNTOEPBCNYRBCE-UHFFFAOYSA-N 202.301 2.710 0 40 BFAB Cc1cc(N(C)C)ncc1[C@H](O)c1ccccc1 72223108 ZBRHQZCCNRWTJN-OAHLLOKOSA-N 242.322 2.538 0 40 BFAB Cc1noc(/C=C/c2ccccc2)c1N 72324054 AYACQMBOAGPRAP-BQYQJAHWSA-N 200.241 2.736 0 40 BFAB biogenic CCOc1cccc(CNC(=O)C2CC=CC2)c1 77737146 PWVSEOXLOFNQOW-UHFFFAOYSA-N 245.322 2.668 0 40 BFAB C/C=C/C(=O)N1c2ccccc2C[C@H]1C 82237561 QMQSSMFAPMIAAW-QLCVYAKKSA-N 201.269 2.540 0 40 BFAB COc1ccccc1-c1ccc(N)nc1C 82730147 QYBPBJJKKMRESC-UHFFFAOYSA-N 214.268 2.648 0 40 BFAB O=[S@](O)c1cccc(Cl)c1Cl 95483767 BWYGVTVRFCWFOK-UHFFFAOYSA-N 211.069 2.574 0 40 BFAB O=C(O)c1ccc(C#Cc2ccccc2F)o1 95642792 BLSKFORKGBDVLD-UHFFFAOYSA-N 230.194 2.517 0 40 BFAB c1ccc2c(c1)NC1(S2)[C@@H]2CCC[C@@H]1CNC2 100228714 PGFWNWLZPBMYFQ-GHMZBOCLSA-N 246.379 2.920 0 40 BFAB OCc1ccc(F)c(OCc2ccccc2)c1 141850848 ODJLDWHTUSENKQ-UHFFFAOYSA-N 232.254 2.897 0 40 BFAB COc1ccc(-c2nc3cnccc3o2)cc1 142729373 WUXAIRAOBWIJCN-UHFFFAOYSA-N 226.235 2.898 0 40 BFAB CC[C@@H](O)COc1cccc2nc(C)ccc12 157063142 AYLOXAYLGWANIV-LLVKDONJSA-N 231.295 2.693 0 40 BFAB CCO[C@H]1C[C@@H](Nc2ccnc(C)n2)C12CCC2 195531022 MJXJMLWZXKLZPS-NEPJUHHUSA-N 247.342 2.545 0 40 BFAB CC(C)(C)CCS[C@@H]1CCN(C2CC2)C1=O 195573128 GVTUOINUQMVLQT-LLVKDONJSA-N 241.400 2.919 0 40 BFAB O=c1oc(-c2ccccc2)nc2c1CCCC2 202565643 OPUNJDLUGQGIQD-UHFFFAOYSA-N 227.263 2.581 0 40 BFAB CCc1ccc(N(CC)CCCC(=O)O)cc1 224985192 PPXXZHOUEVKTSU-UHFFFAOYSA-N 235.327 2.940 0 40 BFAB FC(F)c1cc(I)c[nH]1 575629369 SVUJBWHKFORHFL-UHFFFAOYSA-N 242.994 2.557 0 40 BFAB CC1(C)CC2=NN[C@@H](c3ccccc3)[C@@H]2CO1 366201 UONGMZHJAAXUGM-YPMHNXCESA-N 230.311 2.502 0 40 BFAB C[C@H]1CO[C@@H](c2cc3c(cc2Cl)OCO3)O1 1656199 UTIZIJGZPHPMHN-UPONEAKYSA-N 242.658 2.503 0 40 BFAB C[C@H]1CCC[C@H]([C@@H]2CCCCCC[C@@H]2O)N1 5463283 GATSTKOBZRQEDQ-FQUUOJAGSA-N 225.376 2.848 0 40 BFAB C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)c(F)c1F 15002895 KGRUTMGZAZREQL-PHDIDXHHSA-N 229.201 2.698 0 40 BFAB CCn1cc(NCc2cccc(OC)c2)c(C)n1 20350506 AFRKGVCTRYXELM-UHFFFAOYSA-N 245.326 2.832 0 40 BFAB Cc1cc(N)c(N2CCCC2)c(Cl)c1 22121936 RANFJWDMSCXRRD-UHFFFAOYSA-N 210.708 2.831 0 40 BFAB CC(C)Sc1nc(N)c2ccsc2n1 22133152 AFQXXHLLNRNHJK-UHFFFAOYSA-N 225.342 2.774 0 40 BFAB NCc1nc2ccc(Br)cc2s1 31894700 AZUIOPKOUGBGNZ-UHFFFAOYSA-N 243.129 2.518 0 40 BFAB CCCN(CCC)Cc1nnsc1Cl 35164955 HNEYFQBVZLQDCO-UHFFFAOYSA-N 233.768 2.814 0 40 BFAB CNCc1ccc(-c2ccc(F)cc2F)o1 36818821 LQGNQOGPFXJURU-UHFFFAOYSA-N 223.222 2.944 0 40 BFAB CCn1ccc(=O)c2cc(Cl)ccc21 40164113 MMDOANXBGWBHNH-UHFFFAOYSA-N 207.660 2.675 0 40 BFAB CCOc1cccc(OCC[C@H]2CCCNC2)c1 42773654 HVWDCJBEZULNBI-CYBMUJFWSA-N 249.354 2.854 0 40 BFAB CC[C@H]1CCCN(Cc2nc(C3CC3)no2)C1 48058166 CCMCNCZGQNJIEK-JTQLQIEISA-N 235.331 2.569 0 40 BFAB COC[C@@H](C)Nc1ccc(SC)cc1 53172076 DLFDBPBFAMAGLY-SECBINFHSA-N 211.330 2.855 0 40 BFAB Cc1ccc(CC(C)(C)C(N)=S)cc1 57904991 RGGYPUQCQROJHZ-UHFFFAOYSA-N 207.342 2.850 0 40 BFAB Oc1ccc2sc(Br)nc2c1 75842533 DVKCSKREVCNXIP-UHFFFAOYSA-N 230.086 2.764 0 40 BFAB CCCn1cc(C(C)(C)C)cc1C(=O)O 78404923 UTWANQWFGNRASN-UHFFFAOYSA-N 209.289 2.894 0 40 BFAB C/C=C/CSCC(=O)N[C@@H](C)c1ccco1 78797206 UKNPALACWZRMNG-FSIBCCDJSA-N 239.340 2.766 0 40 BFAB NCC1(c2ccc(Cl)c(F)c2)CCC1 82966783 LNIMLUCTRFUEDP-UHFFFAOYSA-N 213.683 2.860 0 40 BFAB O=C1Nc2c(Br)cccc2CO1 84325014 UEJODCKGTSRCDH-UHFFFAOYSA-N 228.045 2.511 0 40 BFAB CCC[C@H](O)Cc1ccc(F)c(F)c1 87447857 KLYINYNDMSXADA-VIFPVBQESA-N 200.228 2.668 0 40 BFAB CC(C)Nc1c(Cl)cccc1NCCCO 95965300 XUOGWHJOQBJXQF-UHFFFAOYSA-N 242.750 2.955 0 40 BFAB COCc1cccc(C(=O)OC2CCC2)c1 96447607 LDDGALDAGAEZEB-UHFFFAOYSA-N 220.268 2.542 0 40 BFAB Cc1cc(=O)n(-c2ccc(Cl)c(Cl)c2)[nH]1 100781893 VCVFXBNCQAJJCV-UHFFFAOYSA-N 243.093 2.781 0 40 BFAB O=C(O)c1ccc2nc3c(nc2c1)[C@@H]1CC[C@@H]3C1 101136596 JPAIJDDWWXFORV-HTQZYQBOSA-N 240.262 2.693 0 40 BFAB CC(C)(F)C(=O)Nc1ccc(O)c(Cl)c1 195556812 IYNSVUOTZOYOQQ-UHFFFAOYSA-N 231.654 2.732 0 40 BFAB O=C(O)c1ncc(-c2cccc(F)c2)s1 199792454 IHEHZZMVMLMTJK-UHFFFAOYSA-N 223.228 2.647 0 40 BFAB CCc1ccc(C[C@@H]2C[C@@H]2C(=O)O)cc1 217822179 PTDUREYVXGVFIL-NEPJUHHUSA-N 204.269 2.512 0 40 BFAB C[C@H]1CN(c2ccnc3ccccc23)C[C@H](C)O1 264673024 UTDQYQMZFVUDMG-RYUDHWBXSA-N 242.322 2.848 0 40 BFAB CCn1ccs/c1=N\C(=O)c1cccc(C)c1 408562184 NXPAOLNPUWXSHS-YPKPFQOOSA-N 246.335 2.619 0 40 BFAB O=C(NCC1(c2ccsc2)CC1)c1ccoc1 1888901294 CHUZTRDGDIFMHH-UHFFFAOYSA-N 247.319 2.803 0 40 BFAB C[C@@H](O)c1ccc2c(C(=O)O)cccc2c1 2298084944 CCHZDVKPICVJOS-MRVPVSSYSA-N 216.236 2.591 0 40 BFAB O=C1[C@H]2CCC[C@@H]1CC[C@H]2N1CCCCC1 280955 RVZATTSXQJHIRB-FRRDWIJNSA-N 221.344 2.620 0 40 BFAB Clc1cc(NCc2ccccc2)ncn1 390263 XARFPUIPIOPYGA-UHFFFAOYSA-N 219.675 2.742 0 40 BFAB in-vitro COc1ccc2c(C)cc(=O)sc2c1 1571932 HFSLDLGYCGAFHN-UHFFFAOYSA-N 206.266 2.579 0 40 BFAB CC1CCC(NC(=O)c2ccccc2)CC1 1669318 UXQYWSNTLKDTJW-UHFFFAOYSA-N 217.312 2.995 0 40 BFAB CC(C)OP(=O)(N1CC1(C)C)N1CC1(C)C 1735186 PWDGJQYBBNADOV-UHFFFAOYSA-N 246.291 2.708 0 40 BFAB CC[C@@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2C 3650581 JQQICFVIEZVXBF-FVQBIDKESA-N 245.366 2.936 0 40 BFAB Cc1ccc(C(=O)N2[C@H](C)CCC[C@H]2C)o1 5618442 CEJRJPOCDXJGHC-NXEZZACHSA-N 221.300 2.991 0 40 BFAB C[C@@H]1C/C=C/COC(=O)CC(C)(C)CC1=O 12433130 JOOZKGKZZBYYOP-ORAHPGNNSA-N 224.300 2.501 0 40 BFAB Cc1noc(C)c1CC(=O)Nc1ccc(F)cc1 12824980 QALLDHNMYDGFMP-UHFFFAOYSA-N 248.257 2.612 0 40 BFAB C[C@@H]1CN(c2ccc(N)cc2Cl)C[C@@H](C)O1 19094112 AFDLMBVDIMFVHA-RKDXNWHRSA-N 240.734 2.536 0 40 BFAB CCC(CC)NC1CCN(C(C)C)CC1 19883753 ODMFZBMBVJKSGG-UHFFFAOYSA-N 212.381 2.637 0 40 BFAB Cc1nc2c(sc3cccc(F)c32)c(=O)[nH]1 21774834 NTWCXTCDDCKEOD-UHFFFAOYSA-N 234.255 2.585 0 40 BFAB O=C(O)c1cccc2c1-c1ccc(F)cc1C2=O 21984475 SPWWDXVPMLXRRD-UHFFFAOYSA-N 242.205 2.735 0 40 BFAB O=C(O)CCSc1cc(F)ccc1F 22150978 LOEOSBTWVGBVIF-UHFFFAOYSA-N 218.224 2.532 0 40 BFAB in-vitro Cc1ccccc1CNC(=O)c1ccc(O)cc1 23641095 ZPOXSOUJFMNNKQ-UHFFFAOYSA-N 241.290 2.631 0 40 BFAB Clc1ccccc1COC[C@H]1CCCCN1 28521903 KWTRAZLDOXHZKO-GFCCVEGCSA-N 239.746 2.999 0 40 BFAB CC(C)N(CCN)Cc1ccccc1Cl 32015301 ZQKURMJRHNDDMC-UHFFFAOYSA-N 226.751 2.509 0 40 BFAB C[C@@H]1CCC[C@H](NC(=O)c2cccn2C)[C@@H]1C 32720212 KWPRIPGEVQVWIX-UTUOFQBUSA-N 234.343 2.580 0 40 BFAB C[C@@H](C[C@@H]1N[C@H](C(=O)O)CS1)CC(C)(C)C 35572322 VZWJVYMROVOSTA-LPEHRKFASA-N 245.388 2.565 0 40 BFAB CCSc1ccc(C(=O)COC)cc1 36198161 PLQUXQQXJFWKAG-UHFFFAOYSA-N 210.298 2.628 0 40 BFAB COc1cc(C(C)=O)ccc1OCC(F)F 37755994 UMQXAQBNOVKYLW-UHFFFAOYSA-N 230.210 2.542 0 40 BFAB O=Cc1cnn(-c2ccccc2)c1C(F)(F)F 38221912 ZTWZGCCEKGPIIE-UHFFFAOYSA-N 240.184 2.704 0 40 BFAB Cc1ccnc(C(=O)c2cccc(F)c2)c1 45028598 XTHZWVPINSJEBV-UHFFFAOYSA-N 215.227 2.760 0 40 BFAB CCCCCCNCCC(=O)OC(C)(C)C 47218960 MIUWABQJIUJIGJ-UHFFFAOYSA-N 229.364 2.888 0 40 BFAB CC(C)c1ccc(COC[C@@H]2CCNC2)cc1 48895431 NFCNQLXKBSERSZ-CQSZACIVSA-N 233.355 2.936 0 40 BFAB in-vitro CCN(CCCC(=O)O)c1ccccc1F 50012157 OYMSCYHPRXJDIK-UHFFFAOYSA-N 225.263 2.517 0 40 BFAB CCNc1nc(-c2ccccn2)nc(C)c1C 50864233 YNHLOJVGJPOZIQ-UHFFFAOYSA-N 228.299 2.587 0 40 BFAB CC[C@@H](C(=O)O)c1ccc(F)cc1F 55237951 YYKCOCOCOMZFDS-SSDOTTSWSA-N 200.184 2.543 0 40 BFAB NC(=O)/C=C/c1cccc(OC2CCCC2)c1 67899963 FIRQSWVNPHDZGQ-CMDGGOBGSA-N 231.295 2.507 0 40 BFAB CCCNc1ncc([C@@H](N)CC)cc1C 72222180 ZIUJSMFMCHSFLY-NSHDSACASA-N 207.321 2.622 0 40 BFAB Cc1cc(S)c(N)c(Br)c1 73638422 ZZPORVCDJFEKFC-UHFFFAOYSA-N 218.119 2.628 0 40 BFAB COc1ccc2[nH]c3c(c2c1)CCC[C@H]3N 74113221 IZRMVZJKULAOME-LLVKDONJSA-N 216.284 2.513 0 40 BFAB Nc1cnn(C2CCCC2)c1C(F)(F)F 85634611 JFNBVCWYKFOMCH-UHFFFAOYSA-N 219.210 2.599 0 40 BFAB Cn1c(-c2ccccn2)nc2ccc(F)cc21 89745611 FAESZQVEDYHYBG-UHFFFAOYSA-N 227.242 2.774 0 40 BFAB c1coc(-c2ccnc3nc(C4CCC4)nn23)c1 95480548 TZLRMVFUIAYDIZ-UHFFFAOYSA-N 240.266 2.652 0 40 BFAB Cc1ccc(Cl)c(Br)n1 95829396 YEFYRLIRUHFKOW-UHFFFAOYSA-N 206.470 2.806 0 40 BFAB in-vitro CC(C)c1nc2nccc(-c3ccsc3)n2n1 96344184 HFTOSDZEMVEQPZ-UHFFFAOYSA-N 244.323 2.976 0 40 BFAB CC(C)(NCCCO)c1cccc(Cl)c1 96491937 SUBDODQIOTWNJF-UHFFFAOYSA-N 227.735 2.547 0 40 BFAB Cc1cc(N(C)C)cc(C)c1NCc1cc[nH]n1 97137879 QWNOCRAQSMEQEP-UHFFFAOYSA-N 244.342 2.705 0 40 BFAB Cc1cc(O)n(-c2cccc(C(F)(F)F)c2)n1 100782393 IMRSZPUONDXNAB-UHFFFAOYSA-N 242.200 2.905 0 40 BFAB COc1ccc2nc(N3CCCC3)ccc2c1 193509214 PSNUAKUZRWRPEO-UHFFFAOYSA-N 228.295 2.844 0 40 BFAB Cc1c(Br)cccc1CN(C)C 196644230 AQVNETCPSFBSIO-UHFFFAOYSA-N 228.133 2.819 0 40 BFAB Cc1ccc(C[C@H](OC(C)C)C(=O)O)c(C)c1 225027159 BSZDOXMJEGYYGF-ZDUSSCGKSA-N 236.311 2.724 0 40 BFAB CCc1c(Br)cc(C=O)n1C1CC1 225304703 VDCFRRJIWSWDHN-UHFFFAOYSA-N 242.116 2.960 0 40 BFAB Brc1ccc2c(c1)[C@H]1C[C@H]1CN2 225812237 FBLPILAEIROBHI-XPUUQOCRSA-N 224.101 2.978 0 40 BFAB Fc1ccc(OCc2ccncc2)c(F)c1 309320776 PCOKAGGXQSCQMR-UHFFFAOYSA-N 221.206 2.939 0 40 BFAB CCSc1nnc(COc2ccccc2)o1 409384851 FNQFRSDQPUKRMY-UHFFFAOYSA-N 236.296 2.761 0 40 BFAB Cc1ncc(CO)c(Nc2ccccc2Cl)n1 1644814 FNTHWOWCMPIMBQ-UHFFFAOYSA-N 249.701 2.674 0 40 BFAB Cc1ccccc1C(=O)N[C@H]1C[C@@H]2CC[C@H]1C2 2978832 ZTIONCYYHVIAPN-DYEKYZERSA-N 229.323 2.913 0 40 BFAB COc1ccc(-c2cc(N)ccc2OC)cc1 3888766 IGCUWZMQUHTDDN-UHFFFAOYSA-N 229.279 2.953 0 40 BFAB O=C(Nc1nccs1)[C@H]1C[C@H]2CC[C@@H]1C2 4018447 PHKMYNOCRCZCOU-YIZRAAEISA-N 222.313 2.518 0 40 BFAB O=C(O)/C=C/C1=Cc2cc(Cl)ccc2OC1 4218923 ZJGKTNRMAWNURS-DAFODLJHSA-N 236.654 2.757 0 40 BFAB c1cncc([C@@H]2CCN[C@@H](c3cccnc3)C2)c1 4654770 COWQBMIVVHLMNO-IUODEOHRSA-N 239.322 2.685 0 40 BFAB biogenic,in-vitro O=Nc1c(-c2ccccc2)nc2ncccn12 4876845 HIZISRIQSINMOY-UHFFFAOYSA-N 224.223 2.794 0 40 BFAB in-vitro O=C(O)Cc1cccc2c1[nH]c1ccccc12 6117918 APYYTORIICEPHE-UHFFFAOYSA-N 225.247 2.948 0 40 BFAB in-vitro CC(C)NC(=S)Nc1cccc2cnccc12 8687744 LOHFFGQIGJKDFX-UHFFFAOYSA-N 245.351 2.930 0 40 BFAB CC(C)CC(=O)Nc1onc2c1C[C@H](C)CC2 11916767 GWHUCUSJIVMXBI-SECBINFHSA-N 236.315 2.784 0 40 BFAB NNc1nc2cc(Cl)cc(Cl)c2s1 14985051 YPYACRDIWJRCJO-UHFFFAOYSA-N 234.111 2.889 0 40 BFAB c1cc2cc(C3CCNCC3)ccc2[nH]1 16697623 ULMINHJMQWBDGD-UHFFFAOYSA-N 200.285 2.635 0 40 BFAB CC(=O)CSc1ccc(F)cc1F 35013549 MHRJHWZUJHESEP-UHFFFAOYSA-N 202.225 2.646 0 40 BFAB CCOc1ccc(C(=O)C(F)(F)F)cc1 37594146 JGOGDWNXPIVNSJ-UHFFFAOYSA-N 218.174 2.830 0 40 BFAB O=c1ccsn1-c1cccc(Cl)c1 39372255 PLGUAGAZYIMLFF-UHFFFAOYSA-N 211.673 2.552 0 40 BFAB Nc1cc(CCc2c(F)cccc2Cl)n[nH]1 41282679 JTASUOXPIGVTIX-UHFFFAOYSA-N 239.681 2.570 0 40 BFAB COc1c(C(=O)O)cc(C)c(C)c1Cl 57340030 PPSAQJFTUPGBNL-UHFFFAOYSA-N 214.648 2.664 0 40 BFAB Cc1nn(C)c(Cl)c1CNC1CCCCC1 58155857 PMWGXGWANUIZAH-UHFFFAOYSA-N 241.766 2.804 0 40 BFAB N[C@@H]1C[C@@H]1c1ccc(-c2cccc(F)c2)o1 70453029 ZTYMDIDOXDVESF-WDEREUQCSA-N 217.243 2.900 0 40 BFAB COc1c(/C=C/C(=O)O)cccc1C(F)(F)F 71867270 XQOJTMLTWNJUFL-AATRIKPKSA-N 246.184 2.812 0 40 BFAB CC(C)CC(C)(C)CNC(=O)[C@@H]1CCCOC1 81617639 UPRRDBIFGJXPFG-GFCCVEGCSA-N 241.375 2.602 0 40 BFAB CCOc1ccc(Cc2ccc(C(=O)O)o2)cc1 84075012 WGDOZCOTDBBULI-UHFFFAOYSA-N 246.262 2.967 0 40 BFAB CCOC(=O)[C@H](C)C(=O)c1ccc(C)c(C)c1 85396793 VTHMGPLDIIDRNG-LLVKDONJSA-N 234.295 2.685 0 40 BFAB CCCc1nnc(NC2CC=CC2)s1 89960587 QPPGHISOAVUHDW-UHFFFAOYSA-N 209.318 2.621 0 40 BFAB Cc1cc(C)nc(-c2ccc(F)cc2)n1 98210227 KSUHXEKDCOGHLJ-UHFFFAOYSA-N 202.232 2.900 0 40 BFAB in-vitro C[C@H]1[C@@]23CC=CC[C@]2(CCCC3)CS1(=O)=O 104285033 ZTXAGCGGJCSEOI-AVGNSLFASA-N 240.368 2.700 0 40 BFAB OC[C@H]1C=C[C@@H](N[C@H](c2cccs2)C2CC2)C1 195558665 MLYBGGXEGMDAMA-SUHUHFCYSA-N 249.379 2.726 0 40 BFAB CN1C[C@@H](CO)[C@H](c2ccc(C(C)(C)C)cc2)C1 217671863 AATMIODLBAMVPX-ZFWWWQNUSA-N 247.382 2.622 0 40 BFAB COC(=O)c1ccc(C)n1-c1ccc(OC)cc1 223748905 SUXOIIMSFVXQMW-UHFFFAOYSA-N 245.278 2.581 0 40 BFAB N=C(N)Cc1cc(Cl)ccc1C(F)(F)F 228969482 ODPGQFZQIWCDFY-UHFFFAOYSA-N 236.624 2.837 0 40 BFAB COC(=O)c1ccc(C(=O)C(C)C)c(C)c1 309182748 FZDMPHMCIUQTMI-UHFFFAOYSA-N 220.268 2.620 0 40 BFAB c1cc(C2CC2)nnc1OC1CCSCC1 585651897 IIEBOIUWGFYUMP-UHFFFAOYSA-N 236.340 2.628 0 40 BFAB F[C@H]1CCN(Cc2nccc3c2CCCC3)C1 894670329 FSMXDISIPRJTPC-LBPRGKRZSA-N 234.318 2.504 0 40 BFAB C[S@](=N)(=O)Cc1cccc(Cl)c1 1565504762 CNSHURBLJRQJIW-LBPRGKRZSA-N 203.694 2.517 0 40 BFAB CN1[C@H]2CC[C@@H]1C=C(c1ccc(Cl)nc1)C2 17560 XRBRBRUNDFTBCC-NEPJUHHUSA-N 234.730 2.985 0 40 BFAB Cc1cc(C)c(N)c([C@H](O)c2ccccc2)c1 305498 CZONEUUVGUPQSP-OAHLLOKOSA-N 227.307 2.967 0 40 BFAB biogenic O=C(O)[C@@H](c1cccs1)C1(O)CCCCC1 2046483 FJVBULBCVFMRGD-SNVBAGLBSA-N 240.324 2.612 0 40 BFAB CCC(=O)OCC(=O)[C@]1(C)CC[C@H](C)C1(C)C 3846173 RQELJROWWRKCPP-HZMBPMFUSA-N 240.343 2.971 0 40 BFAB biogenic O[C@H]1O[C@@H](c2ccccc2)Cc2ccccc21 3847973 YHVDJDASXIMISF-CABCVRRESA-N 226.275 2.992 0 40 BFAB biogenic COc1cc(C(C)(C)C)cc(C=O)c1O 4290752 LDMUWZJNLSNAJX-UHFFFAOYSA-N 208.257 2.511 0 40 BFAB CC(=O)CSc1cc(C)nc(C(C)C)n1 12173531 FGHVYYLQJWMQSD-UHFFFAOYSA-N 224.329 2.590 0 40 BFAB C[C@H]1C[C@H]1C(=O)NCc1nc2ccccc2s1 13012711 XOOHHYBKKRISRR-DTWKUNHWSA-N 246.335 2.569 0 40 BFAB Cc1ccc(OCc2ccc(C(N)=O)cc2)cc1 14215632 VDOQRLHAIWKSKZ-UHFFFAOYSA-N 241.290 2.673 0 40 BFAB CC(C)NC(=S)N1CCC[C@@H]2CCCC[C@@H]21 16575449 ZWENQMPVFYLITQ-RYUDHWBXSA-N 240.416 2.924 0 40 BFAB Cc1cc2cc3c(nc2cc1C)O[C@@H](C)CNC3 19126619 PLPYCFIXJUQIDO-NSHDSACASA-N 242.322 2.722 0 40 BFAB CC[C@H](N)c1ccc(OC(F)F)cc1 22174836 MIFMZIPFCNEFBM-VIFPVBQESA-N 201.216 2.698 0 40 BFAB in-vitro CCCc1c(-c2cccc(OC)c2)noc1N 26512463 NHXAOLQDFAEWQP-UHFFFAOYSA-N 232.283 2.885 0 40 BFAB CCN[C@@H](c1ccc(OC)cc1)c1cccnc1 35540778 FXKDFZKZUPPGMA-HNNXBMFYSA-N 242.322 2.789 0 40 BFAB in-vitro N[C@@H]1CCCOc2c(Br)cccc21 36926613 BNPKOFKQHFBFJD-SECBINFHSA-N 242.116 2.622 0 40 BFAB CC(C)Cc1nc(-c2ccccc2)n[nH]1 42013373 KCVBIHRWPOSHSK-UHFFFAOYSA-N 201.273 2.670 0 40 BFAB Cc1cc(N)cc(C)c1NC(=O)C(C)(C)C 45888245 SNFRPCJTLCXSGD-UHFFFAOYSA-N 220.316 2.870 0 40 BFAB Cc1nc(C)c([C@@H](C)NC(=O)C(C)C)s1 48815538 ZECWVBZTKUPZEE-MRVPVSSYSA-N 226.345 2.593 0 40 BFAB Cc1cc(N)ncc1[C@H]1CCCN1C(C)C 72218500 AYDTXEDZYDJRQQ-GFCCVEGCSA-N 219.332 2.518 0 40 BFAB Cc1cc(N(C)C)ncc1[C@H]1CCCCN1C 72218695 DQEMMSZSOUZWSW-CYBMUJFWSA-N 233.359 2.613 0 40 BFAB Cc1ccc2oc(=O)c3c(N)scc3c2c1 72220105 NSNJTJOKNMOCID-UHFFFAOYSA-N 231.276 2.898 0 40 BFAB Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F 82521123 XENHPFIRCXSNIB-UHFFFAOYSA-N 245.179 2.612 0 40 BFAB Clc1nc(C2CC2)ncc1Br 84198852 WZGWKODQKGFMRI-UHFFFAOYSA-N 233.496 2.770 0 40 BFAB in-vitro COc1cc2c(cc1OC)[C@@H](C)NC[C@@H](C)C2 84228323 JJNWWBVSBLQJNC-VHSXEESVSA-N 235.327 2.547 0 40 BFAB in-vitro Cc1ccc(NC(=O)c2ccoc2C)cc1O 85203431 NCPDQJFYPPCSSX-UHFFFAOYSA-N 231.251 2.854 0 40 BFAB Nc1nccc2ccc(C(F)(F)F)cc12 85386202 CRYOQIQUMYQAKN-UHFFFAOYSA-N 212.174 2.836 0 40 BFAB CCCCCCN(C)[C@@H]1CCCN(C)C1 89953369 JZYYMSVTHGAEMI-CYBMUJFWSA-N 212.381 2.593 0 40 BFAB Clc1ncnc(Cl)c1NCC1CC1 95097783 YWBVBUYZMJSJRC-UHFFFAOYSA-N 218.087 2.605 0 40 BFAB C[C@@H](Cc1cccnc1)OC(=O)c1ccsc1 95463460 UBYKTTHGSHFBDI-JTQLQIEISA-N 247.319 2.931 0 40 BFAB CCOCCN(C)Cc1cccc2[nH]ccc12 97051136 YWRHMXQBEFDKQI-UHFFFAOYSA-N 232.327 2.636 0 40 BFAB C[C@@H](NN)c1ccc(F)c2ccccc12 199534858 ZPUCHZHFIFPGJV-MRVPVSSYSA-N 204.248 2.503 0 40 BFAB FC(F)c1cc(Cl)nc2[nH]ncc12 217562694 SNBVFDYOBDIBEK-UHFFFAOYSA-N 203.579 2.549 0 40 BFAB CCCc1ccc(C[C@@H]2C[C@H]2C(=O)O)cc1 217824158 STLVKYXJZKBASY-CHWSQXEVSA-N 218.296 2.902 0 40 BFAB CN(C(=O)OC(C)(C)C)[C@@H](CN)CC(C)(C)C 259450314 VWPNBGLODDFENC-SNVBAGLBSA-N 244.379 2.617 0 40 BFAB CCNC(=O)c1cc(Cl)ccc1Cl 60726 SEACFFLHIBYADH-UHFFFAOYSA-N 218.083 2.743 0 40 BFAB O=C(c1ccc(Cl)cc1)N1CCSCC1 140258 PIZZAODWSORPSH-UHFFFAOYSA-N 241.743 2.529 0 40 BFAB CC(C)(C)c1cc(Br)ncn1 331106 IJKBSZKDEPRJOZ-UHFFFAOYSA-N 215.094 2.537 0 40 BFAB CCC[C@H](Cc1ccccc1)C(=O)OC 1694443 VHQOJNHESYEDEC-GFCCVEGCSA-N 206.285 2.818 0 40 BFAB O=C(O)Cc1ccc2[nH]c3c(c2c1)CCCC3 1707581 WKUQYQYAKHXMCL-UHFFFAOYSA-N 229.279 2.674 0 40 BFAB O=C(O)[C@H](c1ccccc1)[C@@H](O)C1CCCCC1 1733999 FELKSHAELBQVRN-KGLIPLIRSA-N 248.322 2.796 0 40 BFAB CCOC(=O)C(=O)Nc1ccc([C@H](C)CC)cc1 2750578 BUEHJMSQHIMBCE-SNVBAGLBSA-N 249.310 2.702 0 40 BFAB CC1=CC[C@@]23CC[C@@H]([C@@H](C)[C@H]2OC=O)[C@H]3C1 4538275 GKVRLIGSFZBWEX-ITGHMWBKSA-N 220.312 2.930 0 40 BFAB CC(C)c1ccc(NC(=O)[C@H]2CCCO2)cc1 5384780 KPKRIBMJTQXTPD-CYBMUJFWSA-N 233.311 2.928 0 40 BFAB C[C@H]1C[C@H]1C(=O)Nc1ccc2c(c1)CCC2 5611240 DJRKGPMTRJEWCF-TVQRCGJNSA-N 215.296 2.770 0 40 BFAB Brc1nccc(-c2ccccc2)n1 8381695 WNGLZNXUEONFOH-UHFFFAOYSA-N 235.084 2.906 0 40 BFAB Nc1ccccc1N1CCc2ccccc2C1 12528121 SRFSVLGXQUCGKN-UHFFFAOYSA-N 224.307 2.832 0 40 BFAB in-vitro CCOC(=O)c1ccc(-c2ccoc2)nc1C 14982856 ZOYHBXLTVACCFD-UHFFFAOYSA-N 231.251 2.827 0 40 BFAB Cc1cc(C(F)(F)Cl)n2nc(C)cc2n1 15922020 VQVWCENIZAHVRE-UHFFFAOYSA-N 231.633 2.634 0 40 BFAB Nc1ccc(C(=O)Nc2ccncc2)c(Cl)c1 19478031 STOCMIHPZDQGDB-UHFFFAOYSA-N 247.685 2.570 0 40 BFAB C[C@H]1CCC[C@@H](C)N1C(=O)c1ccc(N)cc1 22215732 RJVODUZLXDHLBY-PHIMTYICSA-N 232.327 2.672 0 40 BFAB C[C@@H]1C[C@@H]1C(=O)NC12CC3CC(CC(C3)C1)C2 23584063 KEDJQFLLRPRICD-MQOIPSKCSA-N 233.355 2.727 0 40 BFAB Cc1nnc(SCC(=O)C(C)(C)C)s1 33702332 XTRIQUOPZORAPS-UHFFFAOYSA-N 230.358 2.554 0 40 BFAB CCCCNc1ccc(C(N)=O)c(Cl)c1 37121425 YVJPHHGQZVRYBQ-UHFFFAOYSA-N 226.707 2.651 0 40 BFAB CCOc1cccc(C=O)c1OCC(C)C 37470507 SLBBZTSBJNEUHY-UHFFFAOYSA-N 222.284 2.933 0 40 BFAB Cc1cc(N2CCC[C@H](O)C2)c2ccccc2n1 40429924 GHTCYJGTVXEFJC-LBPRGKRZSA-N 242.322 2.504 0 40 BFAB CC(C)CO[C@@H](C)C(=O)Nc1ccc(F)cc1 40521087 SUYZFURALQUZGH-JTQLQIEISA-N 239.290 2.825 0 40 BFAB CC(C)[C@H](CN)c1ccc2c(c1)CCC2 41212243 WCVSDBYEPAIZBT-AWEZNQCLSA-N 203.329 2.874 0 40 BFAB CCc1ccc([C@H](CO)N2CCCCC2)cc1 41261274 GQSVNHYFVLUXMC-HNNXBMFYSA-N 233.355 2.768 0 40 BFAB Cc1ccc(OC[C@@H]2CCNC2)c(Cl)c1 42770870 IIUNWRPEASVUPN-SNVBAGLBSA-N 225.719 2.637 0 40 BFAB Cc1ccc(C(=O)[C@H]2CC[C@@H](C(=O)O)C2)cc1 43878953 GBQHZBPGJTZDLC-NWDGAFQWSA-N 232.279 2.679 0 40 BFAB COc1ncccc1[C@H]1CCCN1CC(C)C 72211724 XYNCKLPODRTNMQ-CYBMUJFWSA-N 234.343 2.883 0 40 BFAB CCCO[C@@H](C)c1ccc(CCN)cc1 72220195 WIJSABZYARWAQN-NSHDSACASA-N 207.317 2.675 0 40 BFAB O=C(C=C1CCC1)OCc1ccnc(Cl)c1 79075406 DVJZGZRXKNQRML-UHFFFAOYSA-N 237.686 2.889 0 40 BFAB CC(=O)c1cc(Cl)c(O)c(Cl)c1O 83164995 UWNCILLRLCVHSW-UHFFFAOYSA-N 221.039 2.607 0 40 BFAB Cc1cc(C(=O)C2CC2)c(C)c(C)c1O 88120888 RQRDQYYIESLPFR-UHFFFAOYSA-N 204.269 2.910 0 40 BFAB C[S@@](=O)c1cccc(NCC(C)(C)C)c1 95428782 KFSGKZMGKWESHU-HNNXBMFYSA-N 225.357 2.882 0 40 BFAB Fc1cc(OCCC2OCCO2)ccc1Cl 95734025 UPFHXTRENKEBBL-UHFFFAOYSA-N 246.665 2.621 0 40 BFAB CCC[C@H](NCc1ccn(C)c1)C1CC1 95975464 BDWQLGNRHBPJBP-ZDUSSCGKSA-N 206.333 2.693 0 40 BFAB CC(C)(N)c1ccc(OC(F)(F)F)cc1 96300636 KMGHOGHYGJRAKS-UHFFFAOYSA-N 219.206 2.779 0 40 BFAB CCOc1cc(F)c(F)cc1C(C)=O 107368231 RITNSTIHKLSZPF-UHFFFAOYSA-N 200.184 2.566 0 40 BFAB COC(=O)c1cccc2ccc(C)cc12 169743854 AHIFPBZMUQKYEC-UHFFFAOYSA-N 200.237 2.935 0 40 BFAB COc1cccc(C)c1I 201796035 PUSZVWBYGSSEJV-UHFFFAOYSA-N 248.063 2.608 0 40 BFAB CC(C)Nc1ccc(C(=O)OC(C)C)cc1N 225406150 PAYNMZRCMQBENR-UHFFFAOYSA-N 236.315 2.654 0 40 BFAB CCCNC(=O)NC(C)(C)Cc1ccccc1 225776550 IKTYSGSYHPLIRX-UHFFFAOYSA-N 234.343 2.717 0 40 BFAB CCCOc1ccc(NC(=O)C(C)(C)C)cn1 225879616 BRINRFCUBFOOIO-UHFFFAOYSA-N 236.315 2.855 0 40 BFAB COC(=O)c1[nH]ccc1-c1ccc(C)cc1 258103938 KSDJARMTUDGVTK-UHFFFAOYSA-N 215.252 2.777 0 40 BFAB CC[C@@H](C)N(C)c1ccc(NC(C)=O)cc1 345663 YJQYPYSZLNCGIC-SNVBAGLBSA-N 220.316 2.880 0 40 BFAB Nc1ccccc1NC(=O)c1cccs1 875230 DQBPJCMRKXOYFY-UHFFFAOYSA-N 218.281 2.583 0 40 BFAB in-vitro C[C@@]1(O)C[C@](O)(c2ccccc2)c2ccccc21 1708745 XVIODFWVBLLPJY-CVEARBPZSA-N 240.302 2.534 0 40 BFAB Cc1ccc(CONC(=O)c2ccccc2)cc1 3249718 AQSPHXTXBCUXRV-UHFFFAOYSA-N 241.290 2.857 0 40 BFAB Cc1ccc(C)c(CN2CCC[C@@H](C(=O)O)C2)c1 3749228 IMCTXRPTEAQXML-CYBMUJFWSA-N 247.338 2.600 0 40 BFAB CC[C@H](C)CCCCNC1=NCCS1 3885621 USSUVJMMDUZVBR-JTQLQIEISA-N 214.378 2.895 0 40 BFAB C[C@H]1CCC[C@@H](C)N1C[C@H](O)c1ccccc1 4683116 GIRIKTUDEYKNBW-GUTXKFCHSA-N 233.355 2.983 0 40 BFAB CCSc1nc(-c2ccccc2)n[nH]1 5960451 NIOYKGLMDHIKFY-UHFFFAOYSA-N 205.286 2.584 0 40 BFAB Cc1ccc(F)cc1NC(=O)c1ccco1 6301583 FEOZBVPIADAVTF-UHFFFAOYSA-N 219.215 2.979 0 40 BFAB CCNCc1cc(Cl)c(OC)c(OCC)c1 8227161 IJXKRUOJNFQYAL-UHFFFAOYSA-N 243.734 2.857 0 40 BFAB c1coc(CN2CCNc3ccccc32)c1 8699862 CBWSHGQQCSTSFP-UHFFFAOYSA-N 214.268 2.712 0 40 BFAB O=C(O)c1cnc(Nc2cccc(Cl)c2)nc1 8730956 CGSTXYRIDHWFSE-UHFFFAOYSA-N 249.657 2.572 0 40 BFAB CCOc1ccc(-c2nc(C(=O)O)cs2)cc1 11993230 ZHHYXMCSEALDNM-UHFFFAOYSA-N 249.291 2.907 0 40 BFAB in-vitro Cc1occc1C(=O)NCCc1cccc(F)c1 12987337 FSBSLNQNIILIOR-UHFFFAOYSA-N 247.269 2.700 0 40 BFAB O=C(Nc1cccc2cn[nH]c12)[C@@H]1CC=CCC1 25713072 UWFYEHSTWVABHR-SNVBAGLBSA-N 241.294 2.858 0 40 BFAB CC(C)(C(=O)Nc1ccncc1)c1ccccc1 26511409 CIBAPNDMLRSZHZ-UHFFFAOYSA-N 240.306 2.998 0 40 BFAB CCCC[C@@H](CC)C(=O)Nc1ccon1 28225632 KWNFMWYRFFWYIJ-SECBINFHSA-N 210.277 2.830 0 40 BFAB CCOc1ccc(C(=O)CC)c(OC)c1 30769102 ZCMXVLHEVVYSHT-UHFFFAOYSA-N 208.257 2.687 0 40 BFAB COc1ccc(/C=C/C(=O)n2cccc2)cc1 34546587 QQFBQCQQOHSTKU-RMKNXTFCSA-N 227.263 2.850 0 40 BFAB biogenic CC(=O)[C@@H]1CCCCN1Cc1ccccc1 34753549 CMZAOOFDDYEJAE-AWEZNQCLSA-N 217.312 2.630 0 40 BFAB C[C@H](CSc1ccc(F)cc1)C(=O)O 35756615 IVJVOKXHGHSVSE-SSDOTTSWSA-N 214.261 2.639 0 40 BFAB COc1ccc2ccccc2c1[C@H]1C[C@H]1N 37381730 BXUWFDCOLNLBMW-NWDGAFQWSA-N 213.280 2.663 0 40 BFAB Cc1ccc(C)c([C@H](C)NC(=O)NC2CC2)c1 40016029 IBDCALWJBDPPNK-NSHDSACASA-N 232.327 2.826 0 40 BFAB COc1ccc(F)cc1[C@H](O)c1ccoc1 40258461 SSPGXVRMBMCKFH-GFCCVEGCSA-N 222.215 2.509 0 40 BFAB CC(C)(C)C(=O)NCCCOC1CCCCC1 40489494 SBMLYCCBBQFDBX-UHFFFAOYSA-N 241.375 2.888 0 40 BFAB CC[C@H](C)NC(=O)CCc1ccc(F)c(F)c1 40505717 PBCKXFWZBFFRCP-VIFPVBQESA-N 241.281 2.812 0 40 BFAB CC(C)c1cc(C(=O)NCc2cccs2)n[nH]1 40553315 LGYRVIPKHGGQKA-UHFFFAOYSA-N 249.339 2.525 0 40 BFAB CN(CCCC(=O)O)Cc1ccc(Cl)s1 42489046 YZAGIBFAPQZFNY-UHFFFAOYSA-N 247.747 2.698 0 40 BFAB CN(C)c1cccc(C(=O)CCCCC(=O)O)c1 43214145 LKNMKXZTTVDMPB-UHFFFAOYSA-N 249.310 2.580 0 40 BFAB Nc1nc2c(Cl)cc(N)c(Cl)c2s1 45891354 LPVYVPDCJIIUBW-UHFFFAOYSA-N 234.111 2.768 0 40 BFAB CN1CCC[C@H]1c1ccc(NC2CCC2)nc1 72213824 XXEPXCHQTSGIIJ-ZDUSSCGKSA-N 231.343 2.813 0 40 BFAB CC[C@H](OC)c1ccc([C@H](C)CN)cc1 72220215 HYEWOCWDJXWKFM-MFKMUULPSA-N 207.317 2.846 0 40 BFAB COC(=O)c1ccc(-c2ccc(C)c(N)c2)o1 73640373 DEZQYOVBGAJFRM-UHFFFAOYSA-N 231.251 2.624 0 40 BFAB C[C@@H](O)C[C@H]1CCCN1CCCc1ccccc1 89895293 XBVFRGAFHZFZRO-GDBMZVCRSA-N 247.382 2.855 0 40 BFAB CCC[C@@H]1CC(=O)CCN1C(=O)OC(C)(C)C 91361820 BWQSLEABTTWFLD-SNVBAGLBSA-N 241.331 2.755 0 40 BFAB in-vitro O=c1ccc(C(F)(F)F)cn1CC1CCC1 95403397 AQFHUONDXIWGGH-UHFFFAOYSA-N 231.217 2.667 0 40 BFAB CC[C@@H]1CCCC[C@H]1OC(=O)CCCOC 97364037 FDPYPCWSEVDKEM-VXGBXAGGSA-N 228.332 2.925 0 40 BFAB O=C1CCCCCC[C@@H]1C(=O)C(F)(F)F 102895935 ZAVJTSLIGAGALR-ZETCQYMHSA-N 222.206 2.657 0 40 BFAB Cc1cc(N(C)c2cccnc2)ccc1O 228917456 VIVHFIHJTGDVMC-UHFFFAOYSA-N 214.268 2.864 0 40 BFAB Nc1cccc([N+](=O)Nc2ccccc2)c1 368119780 OKELTCKAGSNIBV-UHFFFAOYSA-N 214.248 2.706 0 40 BFAB Fc1ccc(C(=S)NCc2ccco2)cc1 408574590 SJLCEAAEOXQYAW-UHFFFAOYSA-N 235.283 2.884 0 40 BFAB Nc1c2c(c(Cl)c3c1CCC3)CCC2 606303217 PVNFYLDXJCSIIJ-UHFFFAOYSA-N 207.704 2.900 0 40 BFAB O=C(c1cccc2ccccc12)n1cccn1 253859 OMQDSKYQXDQNEK-UHFFFAOYSA-N 222.247 2.725 0 40 BFAB O=C(Nc1nc2ccccc2s1)C(F)(F)F 368751 OJYXDRRHLBMRII-UHFFFAOYSA-N 246.213 2.797 0 40 BFAB biogenic Clc1cccc(CNC[C@@H]2CCCO2)c1 810256 PZXFADVCJLCSSO-LBPRGKRZSA-N 225.719 2.609 0 40 BFAB COc1ccc([C@@H]2OCC[C@@H](C)O2)cc1 1693700 IDYWJSQHGBGJTL-BXKDBHETSA-N 208.257 2.519 0 40 BFAB COc1ccc([C@H]2OCC[C@@H](C)O2)cc1 1693702 IDYWJSQHGBGJTL-SKDRFNHKSA-N 208.257 2.519 0 40 BFAB C[C@H]1C[C@H](OC(=O)c2ccccc2)[C@H](C)CN1C 4785791 CFHMFMSIDMLAND-DYEKYZERSA-N 247.338 2.572 0 40 BFAB O=c1[nH]c(C2CC2)nc2sc3c(c12)CCCC3 5045288 LKRJENMREMBWGQ-UHFFFAOYSA-N 246.335 2.741 0 40 BFAB O=c1ccc(Cl)cn1Cc1ccccc1 6240451 XFNJPKIPADFGPO-UHFFFAOYSA-N 219.671 2.550 0 40 BFAB Cc1cccc(NC(C)(C)C(=O)O)c1C 8702861 MAROMOBUWUXMFU-UHFFFAOYSA-N 207.273 2.579 0 40 BFAB Cc1ccc(NC(=O)C(C)(C)C)c(N)c1 8703501 NSUMCEBMKBGHKN-UHFFFAOYSA-N 206.289 2.562 0 40 BFAB c1ccc2sc(CC3CCNCC3)nc2c1 15423954 DCZMOHZDTFYOOY-UHFFFAOYSA-N 232.352 2.838 0 40 BFAB CCOc1ccccc1Oc1ccc(CN)cn1 19255098 DSZLXZDYXZGMPQ-UHFFFAOYSA-N 244.294 2.731 0 40 BFAB CCCc1ccc(NCCCC(=O)O)cc1 19411261 DCOPEFXJVXLCDJ-UHFFFAOYSA-N 221.300 2.916 0 40 BFAB in-vitro CC(=O)c1cccc(NC(=O)c2ccoc2)c1 19422946 FDAXKOMUMCVRIU-UHFFFAOYSA-N 229.235 2.735 0 40 BFAB COC[C@H](C)N[C@@H](C)c1ccccc1F 19904647 QKXUCCHOOKZQJT-UWVGGRQHSA-N 211.280 2.511 0 40 BFAB CCCc1c(C(=O)O)cnn1-c1ccc(C)cc1 20082225 BQRQCGYUNCCUQO-UHFFFAOYSA-N 244.294 2.831 0 40 BFAB in-vitro CN[C@@H](C)c1ccc(OC(F)F)cc1 20083817 SARPKGSVANMWRA-ZETCQYMHSA-N 201.216 2.568 0 40 BFAB CCCCNC(=O)N1CCCCCCC1 20515176 BHVYVAIVXREQIU-UHFFFAOYSA-N 212.337 2.762 0 40 BFAB C[C@H]1CCCCN1C(=O)C[C@@H]1C=CCC1 32747825 DFGIGHKLPCHAPB-NWDGAFQWSA-N 207.317 2.744 0 40 BFAB Cc1ccoc1C(=O)NCC1CCCCC1 32784537 RCGDSVAHEVMANV-UHFFFAOYSA-N 221.300 2.898 0 40 BFAB Oc1noc2c(Cl)cc(Cl)cc12 34559452 DKKJWWCWVOUYHR-UHFFFAOYSA-N 204.012 2.840 0 40 BFAB CCc1sc(C(=O)Nc2cn[nH]c2)cc1C 35237384 JWUCZAYDLCLJJM-UHFFFAOYSA-N 235.312 2.594 0 40 BFAB Cc1cccc(CC(=O)c2cccnc2)c1 37464014 YKWDMUBGLGCSLV-UHFFFAOYSA-N 211.264 2.815 0 40 BFAB COc1ccc([C@@H](O)c2ccsc2)cc1 37464985 IQZGOXGIPIDPKC-GFCCVEGCSA-N 220.293 2.838 0 40 BFAB Cc1ccc(CNCCc2cccnc2)cc1 37502609 TWBBROJQOWFLFP-UHFFFAOYSA-N 226.323 2.722 0 40 BFAB Cc1cc(Cl)ccc1O[C@@H]1CCCNC1 38580781 QUYTWEISIMZHED-LLVKDONJSA-N 225.719 2.779 0 40 BFAB O=Cc1nc2ccc(Br)cc2s1 40538931 KAVAAQYEODWJQX-UHFFFAOYSA-N 242.097 2.871 0 40 BFAB CC[C@H]1CCCCN1c1cc(Cl)ncn1 42783519 ZCNVCNQVGGQFDZ-VIFPVBQESA-N 225.723 2.899 0 40 BFAB O=C(CC(F)(F)F)N1CCc2ccccc2C1 44595807 TVZOWSXUOYMTHG-UHFFFAOYSA-N 243.228 2.524 0 40 BFAB COc1ccc(C[C@@](C)(O)C2CC2)cc1C 57501662 NJCZFLBVDAPFLO-CQSZACIVSA-N 220.312 2.707 0 40 BFAB CCOc1ccccc1CCC(=O)NC(C)(C)C 58245015 DUAVYHANZZJEPG-UHFFFAOYSA-N 249.354 2.933 0 40 BFAB CCOC(=O)c1c(Cl)ccc(N)c1Cl 62350264 UFKFIYGPRQTGNH-UHFFFAOYSA-N 234.082 2.752 0 40 BFAB CCOc1cc(NCc2ccc(C)cc2)ncn1 62710891 AHWXBRSQDWBGCE-UHFFFAOYSA-N 243.310 2.796 0 40 BFAB CCCN(CCC)c1cc(C)c(CNC)cn1 72223300 GZVPBOKSAABRDU-UHFFFAOYSA-N 235.375 2.736 0 40 BFAB Cc1nc(Nc2ccccc2)ccc1CCO 72224371 FYRMPVQYVVBVII-UHFFFAOYSA-N 228.295 2.668 0 40 BFAB CC(C)(C)Oc1ccc([C@@H]2CCNC2)cc1 82597903 JHMGAVWKBSWYMM-GFCCVEGCSA-N 219.328 2.941 0 40 BFAB in-vitro CC(C)=CC[C@@H](O)[C@@]1(C)[C@H]2CC[C@H](C2)[C@@]1(C)O 85340915 VORYVMSYLVEJBA-NJVJYBDUSA-N 238.371 2.891 0 40 BFAB biogenic,in-vitro NC[C@@H]1CCCCN1CCC1CCCCC1 87473680 IHKDFWVNUVZLGG-AWEZNQCLSA-N 224.392 2.770 0 40 BFAB FC(F)(F)c1ncccc1NN1CCCCC1 95081584 FTJBKSWKNJSCMP-UHFFFAOYSA-N 245.248 2.913 0 40 BFAB CCc1ccc([C@@H](C)N[C@@H](C)CCOC)o1 95421513 WVRBDULDEVIXOO-WDEREUQCSA-N 225.332 2.918 0 40 BFAB CC(C)c1nccc(NCCc2ccc[nH]2)n1 97033575 GMIQVRGQOJRHBB-UHFFFAOYSA-N 230.315 2.583 0 40 BFAB C[C@]12CC[C@@H]3[C@]1(C)C[C@]3(Br)C2=O 100384362 MZUHKKJTABCVFS-SFKDOBOXSA-N 229.117 2.529 0 40 BFAB CCCCn1c(C)nc2ccc(N)cc21 114882754 YGCVGEQDCCVCFX-UHFFFAOYSA-N 203.289 2.727 0 40 BFAB Cc1cncc(/C=C/c2cc(O)cc(F)c2)n1 195314249 GHZLSSOLUWIZQO-NSCUHMNNSA-N 230.242 2.800 0 40 BFAB CC1(C)CC(=O)C[C@@H](NC(=O)OC(C)(C)C)C1 521398342 UNBAMXRPPJFULU-SECBINFHSA-N 241.331 2.659 0 40 BFAB Brc1cccc(COC2CC2)n1 713290257 FGYDGRZJZUJBDG-UHFFFAOYSA-N 228.089 2.523 0 40 BFAB O[C]1CC=C[C@H]1COCc1ccccc1 1560410743 MIQVCQGRJPMKED-LBPRGKRZSA-N 203.261 2.684 0 40 BFAB Cc1ccc(C)c(Oc2cc(F)nc(N)n2)c1 69704 JKRIMACKJUDJRN-UHFFFAOYSA-N 233.246 2.607 0 40 BFAB CCC[C@@H](O)c1cc(OC)ccc1OC 481522 MKRNUXCCGJVHPA-LLVKDONJSA-N 210.273 2.537 0 40 BFAB CCP(CC)c1cccc(OC(=O)NC)c1 1719983 VTKIDZZZRSPTRL-UHFFFAOYSA-N 239.255 2.552 0 40 BFAB O=C([C@H]1CC=CCC1)N1CCCCCC1 1733493 FKSRKZXBQQILCD-LBPRGKRZSA-N 207.317 2.745 0 40 BFAB CCCC[C@@H](NC(C)=O)c1nc2ccccc2[nH]1 1926998 VLULDFKKUDHYHH-CYBMUJFWSA-N 245.326 2.930 0 40 BFAB C[C@H]1SC2=Nc3ccccc3[C@@H](C)N2C1=O 5722427 IYPZCHGAHYHJJG-HTQZYQBOSA-N 232.308 2.713 0 40 BFAB CC(C)CN[C@@H](C(=O)O)c1c[nH]c2ccccc12 12322438 GZJPKAROFVPEOU-CYBMUJFWSA-N 246.310 2.539 0 40 BFAB CN(C)C(=O)c1cc2c(s1)CCCCC2 12978180 GDRQRDUGLMHANX-UHFFFAOYSA-N 223.341 2.719 0 40 BFAB Nc1nc(N2CCCCCC2)nc2ccccc12 13234874 PXVCWIOKZBVHJG-UHFFFAOYSA-N 242.326 2.592 0 40 BFAB CC1(C)COP(=O)(Nc2ccccn2)OC1 15909528 IKSCXUYIKOHQDD-UHFFFAOYSA-N 242.215 2.675 0 40 BFAB Cc1cc(N2CCCCC2)c(C)cc1N 22121973 FFUHTJRHPXGZEO-UHFFFAOYSA-N 204.317 2.876 0 40 BFAB CC[C@H](C)NC(=O)[C@H](C)Oc1cccc(C)c1C 22515768 GYUDLADURWGUOF-AAEUAGOBSA-N 249.354 2.985 0 40 BFAB CC(C)=CC(=O)Nc1nnc(CC(C)C)s1 22833061 KXASRUFCJBICIA-UHFFFAOYSA-N 239.344 2.641 0 40 BFAB O=CNCC(c1ccccc1)c1ccccc1 32207156 PLDXYSLIYFGPAW-UHFFFAOYSA-N 225.291 2.565 0 40 BFAB CCCc1cc(C(=O)N(C)C)sc1C 32721896 PFPKVAYWKNDDNK-UHFFFAOYSA-N 211.330 2.711 0 40 BFAB O=C(O)[C@@H](c1ccccc1)c1cccc(O)c1 34121970 UTDATNFMTKKXBV-ZDUSSCGKSA-N 228.247 2.609 0 40 BFAB C[C@H]1CN([C@H](C)c2ccc(F)cc2)CCO1 36423497 QQULBPAWSHVMCJ-WDEREUQCSA-N 223.291 2.607 0 40 BFAB Cc1cc(C)cc(C(=O)c2cccnc2)c1 37745990 BWPJGEGIXTWCQV-UHFFFAOYSA-N 211.264 2.929 0 40 BFAB in-vitro CN(C)C(=O)CSCc1ccc(Cl)cc1 41103864 DMCMCDCSIMEURF-UHFFFAOYSA-N 243.759 2.661 0 40 BFAB CC(=O)c1ccc(OCC[C@@H]2CCCNC2)cc1 42771456 WJLLYFQZIOTWGG-ZDUSSCGKSA-N 247.338 2.658 0 40 BFAB Cc1cccc(-c2cnc(C(=O)O)s2)c1 45206027 XGEFEVFBNIMMLP-UHFFFAOYSA-N 219.265 2.817 0 40 BFAB CCOC(=O)C(F)(F)c1ccccc1Cl 52232677 RTPZPIXDNPGMRW-UHFFFAOYSA-N 234.629 2.995 0 40 BFAB CCO[C@H](CNC)c1ccc(CC)cc1 62711624 UIGOXVARJGTYQW-CYBMUJFWSA-N 207.317 2.546 0 40 BFAB CCCN1CCC[C@H]1c1cccc(C)n1 72211080 ZRCBWIFFXKVSNT-ZDUSSCGKSA-N 204.317 2.937 0 40 BFAB CSCc1nnc(-c2ccccc2F)o1 78962717 CCFAKVFCTBEGJH-UHFFFAOYSA-N 224.260 2.739 0 40 BFAB O=C(O)c1cccc(OCCC(F)(F)F)c1 80936535 SDNDYKKSPPZYOS-UHFFFAOYSA-N 234.173 2.716 0 40 BFAB CCC[C@@H](CCOC)CNCC1CCC1 85396112 UVVAWLIUXMHYRI-LBPRGKRZSA-N 213.365 2.829 0 40 BFAB NC1(c2ccc(OC(F)(F)F)cc2)CC1 95094322 FEYUYWNRWUVYDE-UHFFFAOYSA-N 217.190 2.533 0 40 BFAB Fc1ccc(S)c(COC[C@H]2CCCO2)c1 95738860 SGDHTFAJEMCXCE-LLVKDONJSA-N 242.315 2.810 0 40 BFAB Cc1nc2cc(Br)ccn2c1C 95775339 NGAOEMUZGCDAHO-UHFFFAOYSA-N 225.089 2.714 0 40 BFAB in-vitro CC(=O)c1c[nH]c2cc(Br)cnc12 95919889 HERBEFOTXSPMOF-UHFFFAOYSA-N 239.072 2.528 0 40 BFAB CC(C)[C@H](SCc1ccco1)C(=O)N(C)C 96416311 UVKDURLFPXKSPW-NSHDSACASA-N 241.356 2.626 0 40 BFAB CS[C@H]1CCC[C@@H]1N(C)Cc1cscn1 96441764 UFHSOHOHLBRHHK-QWRGUYRKSA-N 242.413 2.859 0 40 BFAB Cc1cc(-c2ncc(C(F)(F)F)[nH]2)ccn1 98175438 YDDPHOZGUKCKTI-UHFFFAOYSA-N 227.189 2.799 0 40 BFAB CCOC(=O)C1=C[C@@]2(C)CC[C@H]1C2(C)C 100363237 NHDHCHLKPRUOLN-ZWNOBZJWSA-N 208.301 2.932 0 40 BFAB C/N=c1/scc(-c2ccc(Cl)cc2)n1C 100378601 WNBWWSGKEXWPLK-ACCUITESSA-N 238.743 2.938 0 40 BFAB CC(C)[C@@H]1CCc2cnn(C(C)C)c2N1 225813220 XMVLHZHIGBXTKZ-NSHDSACASA-N 207.321 2.847 0 40 BFAB CCCC1COC(C2CCC(=O)CC2)OC1 309543467 HTTGCTFVONCEEA-UHFFFAOYSA-N 226.316 2.535 0 40 BFAB O=C1CSc2nc3cccc4cccc(c43)n21 408735554 SHDYBFGOQJPKFI-UHFFFAOYSA-N 240.287 2.935 0 40 BFAB Cc1ccc([C@H]2C[C@@H]2c2cc(N)on2)cc1 575424364 ZQQFCSLFNXDQFL-MNOVXSKESA-N 214.268 2.836 0 40 BFAB O=C(O)C[C@@H]1COc2c(Cl)cc(Cl)cc21 585656320 BGCFQVRQGAOJPI-RXMQYKEDSA-N 247.077 2.944 0 40 BFAB CC(C)[C@H](C)C(=O)Nc1nccc2cc[nH]c12 628644332 JCGDGHPSAPSLEL-VIFPVBQESA-N 231.299 2.794 0 40 BFAB Nc1ccc2ccc(C(F)(F)F)nc2c1 1503914477 LNRACCNXWPELKB-UHFFFAOYSA-N 212.174 2.836 0 40 BFAB CC1(C)CC(=O)C[C@H](C(Cl)(Cl)Cl)O1 1736884 ZIMYYBJHIVSVSQ-ZCFIWIBFSA-N 245.533 2.883 0 40 BFAB COc1ccc(C2O[C@@H](C)C[C@H](C)O2)cc1 1874323 FGAWKPCAKYSBJV-UWVGGRQHSA-N 222.284 2.908 0 40 BFAB CN(C)C[C@@H](c1ccccc1)C1(O)CCCC1 2042528 JDAFXCRSIQHYSL-AWEZNQCLSA-N 233.355 2.637 0 40 BFAB CCC[C@@H](N)C12C[C@H]3C[C@H](CC(CN)(C3)C1)C2 4558362 WIRGLDXYFVCGGN-OEGGNGQFSA-N 236.403 2.659 0 40 BFAB COc1ccc([C@@H](C(=O)O)C(C)C)cc1 5761171 OWSOZXBIUKEPTD-NSHDSACASA-N 208.257 2.519 0 40 BFAB in-vitro CCOC(=O)CCC(=O)Nc1ccc(C)c(C)c1 5869125 MFKXBHXOFRKRCN-UHFFFAOYSA-N 249.310 2.585 0 40 BFAB CN(C)c1ccc(NC(=O)c2ccoc2)cc1 9322904 FEPRVVGRMJPFJJ-UHFFFAOYSA-N 230.267 2.598 0 40 BFAB CCONC(=O)c1cc2ccccc2cc1OC 9725615 VWGJUVYLZKFPCH-UHFFFAOYSA-N 245.278 2.530 0 40 BFAB Cc1cccc(CNc2ccccc2C(N)=O)c1 10939475 YZKYMFWGOOSUGP-UHFFFAOYSA-N 240.306 2.706 0 40 BFAB N[C@@H](Cc1ccccc1)c1cccs1 11601918 DYPYBFJCSBLTFS-NSHDSACASA-N 203.310 2.991 0 40 BFAB in-vitro Cc1ccc(C)n1CC(=O)Nc1ccc(F)cc1 14153049 ZSLFFZWISGYLPB-UHFFFAOYSA-N 246.285 2.883 0 40 BFAB Cc1c([C@H](C)N)cnn1-c1ccc(Cl)cc1 20216637 NWBPYHLNSBNFCA-QMMMGPOBSA-N 235.718 2.854 0 40 BFAB in-vitro CCNC(=O)[C@@H](CC)Oc1ccc(C)c(C)c1 30861764 NLLMGYWNEWOWFL-CYBMUJFWSA-N 235.327 2.597 0 40 BFAB CN(CC1CCCCC1)C(=O)c1ccoc1 32753017 POMOPQWPHWVJOQ-UHFFFAOYSA-N 221.300 2.932 0 40 BFAB CC(C)=C[C@@H]1[C@@H](C(=O)N2CCCC2)C1(C)C 32843258 OILFIJKSVULUJO-NEPJUHHUSA-N 221.344 2.847 0 40 BFAB C[C@@H](O)c1ccc(NC(=O)c2ccco2)cc1 35199470 TYLDBYJOSZGQEC-SECBINFHSA-N 231.251 2.585 0 40 BFAB CCCOc1ccc(C(=O)O)c(OC(C)C)c1 35414276 GFYZTRCCNNMMKA-UHFFFAOYSA-N 238.283 2.961 0 40 BFAB in-vitro O=C(C[C@@H]1C=CCC1)NCCc1ccc(F)cc1 36392859 USBJETGFOXKBRY-CYBMUJFWSA-N 247.313 2.841 0 40 BFAB CCCCNc1ccc(C(=O)OC)cc1 36804350 IHRPJNDVWBJCEH-UHFFFAOYSA-N 207.273 2.685 0 40 BFAB in-vitro ON(CCc1ccccn1)Cc1ccccc1 37866066 XESWVOYQVZPHKK-UHFFFAOYSA-N 228.295 2.516 0 40 BFAB in-vitro CNC(=O)c1ccc(OC)c(-c2ccccc2)c1 50559228 PITBCXIRXZPKJX-UHFFFAOYSA-N 241.290 2.722 0 40 BFAB COc1ccc(Cl)cc1[C@@](C)(O)C1CC1 55192057 TZCVUTPGNRTVGD-LBPRGKRZSA-N 226.703 2.966 0 40 BFAB CCOC(=O)c1cc(Cl)ccc1OCC 57331980 XSZKWBSKDNMOJF-UHFFFAOYSA-N 228.675 2.915 0 40 BFAB OC1(Cc2c(F)cccc2Cl)CCOCC1 63076877 RWOJSHYIHGEHDW-UHFFFAOYSA-N 244.693 2.563 0 40 BFAB CCNCc1cc(-c2ccc(OCC)cc2)[nH]n1 66113039 CBCBWYKDBWEQBG-UHFFFAOYSA-N 245.326 2.585 0 40 BFAB CC(C)(C)SCCNC(=O)[C@@H]1CC=CCC1 66738294 CRSHWVANRYQONX-LLVKDONJSA-N 241.400 2.991 0 40 BFAB COC(=O)c1oc2cccc(OC)c2c1C 72207163 FJPKVTCKAQNXSH-UHFFFAOYSA-N 220.224 2.536 0 40 BFAB c1cc([C@H]2CCCN2C2CCCCC2)ncn1 72356842 MUTUTXUZLZVDDD-CQSZACIVSA-N 231.343 2.946 0 40 BFAB CCc1nc(CC)n(Cc2ncc(C(C)C)o2)n1 84490010 OIEPCHBZPFNHHP-UHFFFAOYSA-N 248.330 2.563 0 40 BFAB CCCCC[C@@H](C)NC(=O)NCC(C)C 84743048 UJSTWHHUQGQRNN-LLVKDONJSA-N 214.353 2.910 0 40 BFAB COCc1cc(C(C)(C)C)cc(COC)c1O 85223861 SHDBJOYDLRRTRA-UHFFFAOYSA-N 238.327 2.983 0 40 BFAB CCC[C@H](NC(C)=O)c1ccc(F)cc1F 89949710 PVDCJQCARBFRQJ-LBPRGKRZSA-N 227.254 2.942 0 40 BFAB CC[C@@H]1CCCN(C(=O)C2CC=CC2)CC1 95400125 RFGJWBADZZMGKK-GFCCVEGCSA-N 221.344 2.991 0 40 BFAB CCCC(CCC)C(=O)NCc1ccc[nH]1 95973468 AXPYGGUVSJVTGP-UHFFFAOYSA-N 222.332 2.847 0 40 BFAB NC(=O)Cc1ccccc1OCCC1CCCC1 97103796 VROHXNMBKKJUFO-UHFFFAOYSA-N 247.338 2.674 0 40 BFAB C[C@@]12C[C@]3(Br)C(=O)[C@]1(C)CC[C@@H]23 100384366 MZUHKKJTABCVFS-MIBSWOBISA-N 229.117 2.529 0 40 BFAB Cc1cc(NC[C@H](N)C2CC2)c2ccccc2n1 104317000 BMCHEPUOLKGFNS-ZDUSSCGKSA-N 241.338 2.692 0 40 BFAB C[C@H]1Oc2c(F)cc(Br)cc2C1=O 105738251 JIVUCCWRHOXFKC-SCSAIBSYSA-N 245.047 2.552 0 40 BFAB Cc1cc(CC(=O)O)cc(C)c1OC(C)C 106679933 XKYCAWCBODQLBL-UHFFFAOYSA-N 222.284 2.718 0 40 BFAB Cc1c(F)cccc1N[C@@H]1CCCC[C@H]1N 218865494 VSOPLWUHYZTJDH-DGCLKSJQSA-N 222.307 2.816 0 40 BFAB Cn1ncc2c(Cl)cc(C(F)(F)F)nc21 225814446 MAZFCGVSCNCLLI-UHFFFAOYSA-N 235.596 2.641 0 40 BFAB O=C(NC[C@@H]1C[C@H]2CC[C@H]1C2)c1cccs1 245225398 UMDFYPUNCLCKTA-DCAQKATOSA-N 235.352 2.914 0 40 BFAB CC(C)C(CN(C)[C@H](C)C[S@@](C)=O)C(C)C 330031837 DUWJUYBZBJPSCE-MLGOLLRUSA-N 247.448 2.613 0 40 BFAB O=C(O)c1nccc2cc(C(F)(F)F)ccc12 1503915573 PJRLDPQOWRAECQ-UHFFFAOYSA-N 241.168 2.952 0 40 BFAB Cc1cccc(N2C[C@H]3C[C@@H]4C=C[C@@]3(C2)O4)c1 1611103 IQKPTTBYSJBWIR-SNPRPXQTSA-N 227.307 2.529 0 40 BFAB CCCCCO[C@H](CN)C(Cl)(Cl)Cl 1727190 IRHIRTGNMHHXKR-SSDOTTSWSA-N 248.581 2.891 0 40 BFAB O[C@H](c1ccccc1)c1ccccc1F 2510722 HFVMEOPYDLEHBR-CYBMUJFWSA-N 202.228 2.907 0 40 BFAB CC(=O)c1sc(NCC(C)C)nc1C 3328126 GSDFLUYSKSCYDS-UHFFFAOYSA-N 212.318 2.722 0 40 BFAB CSc1ccccc1C(=O)Nc1cc(C)on1 4517438 VTWUUSWQOLEWRX-UHFFFAOYSA-N 248.307 2.957 0 40 BFAB Cc1cc(C)c(NC(=O)[C@@H]2CCCN2C)c(C)c1 4893735 OHFQNJAIZIYKSC-ZDUSSCGKSA-N 246.354 2.645 0 40 BFAB CN(C)[C@@H]1CCc2ccc3ccccc3c2C1=O 4914036 MXWZALYVSNMPDC-CQSZACIVSA-N 239.318 2.899 0 40 BFAB CCN(CC)C(=O)Cc1ccc(Cl)cc1 5952344 IEUYAOJIRAAHAK-UHFFFAOYSA-N 225.719 2.751 0 40 BFAB COc1cccc(-c2cccc(CCO)c2)c1 15441003 YFNZLSANOHRWHB-UHFFFAOYSA-N 228.291 2.897 0 40 BFAB C[C@@H](NN)C(c1ccccc1)c1ccccc1 19272986 WCUKOYBJMCBWCU-GFCCVEGCSA-N 226.323 2.670 0 40 BFAB Cc1cnc(-n2c(C)cc(C=O)c2C)s1 19426381 HSXUROVRFQQGSV-UHFFFAOYSA-N 220.297 2.672 0 40 BFAB N=C(N)SCc1cccc(Br)c1 21364133 XKVIYVBQAQXMIW-UHFFFAOYSA-N 245.145 2.576 0 40 BFAB Cc1ccccc1[C@@H](C)NC(=O)c1cccnc1 23525041 VCYHUGDKTSFVNO-GFCCVEGCSA-N 240.306 2.881 0 40 BFAB CC(C)(C)C(=O)N(Cc1ccccn1)C1CC1 32904012 HTUWPCCHJIVDDE-UHFFFAOYSA-N 232.327 2.619 0 40 BFAB CCCOc1ccc(OC2CCNCC2)cc1 34957308 ZPDVIJFOUHYFLQ-UHFFFAOYSA-N 235.327 2.606 0 40 BFAB COc1ccc(-c2c(CC(C)C)n[nH]c2N)cc1 36935769 IVHXGRNYZMKHOI-UHFFFAOYSA-N 245.326 2.866 0 40 BFAB O=C(O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1c1ccccc1 39149815 NNUSVTIAASPYFL-LOWDOPEQSA-N 216.280 2.901 0 40 BFAB Nc1noc2cccc(OCc3ccccc3)c12 40449380 QAKSEPTVKXBHOB-UHFFFAOYSA-N 240.262 2.989 0 40 BFAB Brc1ccnc(OC2CCC2)c1 44118485 YEEMCNZWYCOAFW-UHFFFAOYSA-N 228.089 2.775 0 40 BFAB in-vitro O=C(CCOCC(F)(F)F)Nc1ccccc1 45263402 JXSDDVLYYAXBMA-UHFFFAOYSA-N 247.216 2.594 0 40 BFAB CC(C)(C)n1nnnc1SC1CCCCC1 48363281 OGBFPQVZXVNGEE-UHFFFAOYSA-N 240.376 2.853 0 40 BFAB CNCCCNCc1ccc(Cl)cc1Cl 57362437 QWIRWAVBFKNERC-UHFFFAOYSA-N 247.169 2.693 0 40 BFAB C/C(I)=C\C(F)(F)F 71790009 FUJZKLJZJYRSNP-NSCUHMNNSA-N 235.974 2.888 0 40 BFAB Cc1cc([C@H]2CCCN2C(C)C)ccn1 72219458 MELCVUPJAPAFRV-CYBMUJFWSA-N 204.317 2.935 0 40 BFAB CCOc1ccc([C@@H](N)c2ccccc2)cn1 72225170 HIWNOBXHFBJTAW-AWEZNQCLSA-N 228.295 2.528 0 40 BFAB CCC[C@H](O)c1nc2ccccc2n1CC 76555560 MLDDUPFHRVWYAI-LBPRGKRZSA-N 218.300 2.890 0 40 BFAB O=C(O)Cc1cc2ccccc2nc1Cl 89261880 MUUKMTWSPVKXRW-UHFFFAOYSA-N 221.643 2.515 0 40 BFAB CCc1nc(C)c([C@H](C)N(C)C(C)=O)s1 95401204 HTCGSTZMVQWPOP-QMMMGPOBSA-N 226.345 2.553 0 40 BFAB CC[C@@H](O)CN(CC)[C@@H](C)c1cccc(O)c1 96455332 WHLXZVWAUHGXSD-WCQYABFASA-N 237.343 2.546 0 40 BFAB CC[C@H](C)n1c(=S)[nH]c2cc(C)[nH]c2c1=O 101333013 MFRGIFMYUMOZCO-ZETCQYMHSA-N 237.328 2.667 0 40 BFAB NCC(F)(F)Sc1cccc(Cl)c1 131750583 KBRRNWAHCKKRGF-UHFFFAOYSA-N 223.675 2.984 0 40 BFAB CC(C)CNCc1ccc(Cc2ccco2)n1C 226021327 OQAXAMNIKJXGPG-UHFFFAOYSA-N 246.354 2.955 0 40 BFAB COc1ccc2c3ncnc(Cl)c3n(C)c2c1 408712478 PRAKWWKCVBFEBZ-UHFFFAOYSA-N 247.685 2.784 0 40 BFAB Cc1ccc(OC2CCC(F)(F)CC2)nn1 585651736 PPTSVWRZBONCBV-UHFFFAOYSA-N 228.242 2.742 0 40 BFAB CCOC(=O)[C@H]1CCC[C@@H](OC(F)(F)F)C1 953019104 LKFXVDNJNNKIKD-JGVFFNPUSA-N 240.221 2.645 0 40 BFAB CCC(=O)n1nc(-c2ccccc2)cc1C 387747 NMCNZSHQSNIOJQ-UHFFFAOYSA-N 214.268 2.909 0 40 BFAB COc1ccc2nc(NC(=O)C3CC3)sc2c1 419826 TYZQOTDNVBPGAW-UHFFFAOYSA-N 248.307 2.653 0 40 BFAB O=C(CCC1CCCC1)NCc1ccco1 505434 OUJPBEXJQCRIDD-UHFFFAOYSA-N 221.300 2.866 0 40 BFAB O=C(/C=C/c1ccccc1Cl)N1CCCC1 1480339 AEBYEKGSMWKKRH-BQYQJAHWSA-N 235.714 2.976 0 40 BFAB Clc1cc(Cl)c2nncc(N3CC3)c2c1 1695549 PNMLRFRWMCLWPI-UHFFFAOYSA-N 240.093 2.757 0 40 BFAB Cc1cc(C)n(C(=O)[C@H]2C[C@H]2c2ccccc2)n1 5362252 KJGRIGIQDLUOEA-KBPBESRZSA-N 240.306 2.944 0 40 BFAB O=C(/C=C/c1ccccc1Cl)NC1CC1 5678542 JQFABAIFMDEKRY-VMPITWQZSA-N 221.687 2.632 0 40 BFAB C[C@@H]1SC2=Nc3ccccc3[C@H](C)N2C1=O 5723603 IYPZCHGAHYHJJG-YUMQZZPRSA-N 232.308 2.713 0 40 BFAB CC[C@H](SCc1ccccc1)C(=O)O 8729632 GVYTVLRRWSUVRF-JTQLQIEISA-N 210.298 2.783 0 40 BFAB Cc1ccc(CNc2cc(Cl)nc(N)n2)cc1 12782837 NOJKOTBYOAEOFZ-UHFFFAOYSA-N 248.717 2.633 0 40 BFAB in-vitro Cc1onc(C(=O)Nc2cccc(F)c2)c1C 13641116 JOMIOJGKBRDNQH-UHFFFAOYSA-N 234.230 2.683 0 40 BFAB Cc1c(Cl)c2ccc(N(C)C)cc2[nH]c1=O 17123272 WXCMDYMBXVWCPJ-UHFFFAOYSA-N 236.702 2.556 0 40 BFAB Cc1csc(-n2c(C)cc(C=O)c2C)n1 19478198 VCBYSALNDWHIRG-UHFFFAOYSA-N 220.297 2.672 0 40 BFAB CNCCCOc1ccc(Cl)cc1Cl 19669879 PYMIWTKVNCPVEA-UHFFFAOYSA-N 234.126 2.982 0 40 BFAB c1coc(CNc2ccc3c(c2)OCCO3)c1 19916063 KQWGDVDECRBPOW-UHFFFAOYSA-N 231.251 2.663 0 40 BFAB CCN(c1ncccc1N)C1CCCCC1 22219422 PBJWXQXXAGFSOS-UHFFFAOYSA-N 219.332 2.823 0 40 BFAB CCC[C@H](C)NC(=O)c1cc(F)ccc1F 28210785 TZHAFXOXGOSBCZ-QMMMGPOBSA-N 227.254 2.883 0 40 BFAB CC(C)N(CC(=O)O)Cc1cccc(Cl)c1 32099983 PKBLAIBVWBNEQR-UHFFFAOYSA-N 241.718 2.635 0 40 BFAB CCOC(=O)c1[nH]c(C)c(C)c1Br 37624187 CXUNLFYSTQMNKE-UHFFFAOYSA-N 246.104 2.571 0 40 BFAB Cc1nn(C2CCCCC2)c(C)c1C=O 40538501 RSBWLIGFLPIJRQ-UHFFFAOYSA-N 206.289 2.818 0 40 BFAB O=C(O)c1cccc(-c2noc(C3CCC3)n2)c1 41722232 VNQGCDZJVLQLGK-UHFFFAOYSA-N 244.250 2.702 0 40 BFAB CCCCOc1ccc(CN)cc1Cl 42303256 IPZBXZNXQLVYQF-UHFFFAOYSA-N 213.708 2.978 0 40 BFAB in-vitro CCCNC(=O)Nc1ccc(N2CCCC2)cc1 43466132 JTJJBGQMYLZVCJ-UHFFFAOYSA-N 247.342 2.818 0 40 BFAB COCc1ccccc1NC(=S)NC(C)C 44097014 GGIMKWPKFGWUDF-UHFFFAOYSA-N 238.356 2.528 0 40 BFAB COc1ccc([C@H]2CCCN2C(=O)C2CC2)cc1 52920122 TXIJHAPCZRCMHZ-CQSZACIVSA-N 245.322 2.769 0 40 BFAB Nc1nc(-c2cccc3cnccc23)cs1 72207102 LFHNKCBBERHEOI-UHFFFAOYSA-N 227.292 2.941 0 40 BFAB CCCN1CCCC[C@@H]1c1ccc(N)nc1 72212378 ZALWXEXEMMPSQM-GFCCVEGCSA-N 219.332 2.601 0 40 BFAB C[C@@H](CC(=O)O)c1cc2ccccc2[nH]1 82914374 QHVKPNMWZIYYKD-QMMMGPOBSA-N 203.241 2.746 0 40 BFAB O=C(O)c1sc(Cl)cc1OCC1CC1 96510909 FRZNTJXDNMVNQO-UHFFFAOYSA-N 232.688 2.889 0 40 BFAB CC(C)n1cnc2nc(C(F)F)nc(Cl)c21 96529537 PQTNYMILEXQTBT-UHFFFAOYSA-N 246.648 2.998 0 40 BFAB C[C@H]1[C@@H](C)O[C@@H](C)O[C@H]1c1ccccc1O 101105844 OSYQUVFLQIPNCW-DCJFZGGZSA-N 222.284 2.851 0 40 BFAB biogenic Cc1cccc(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)n1 101126701 BFYXIFPDPBGSPZ-SRVKXCTJSA-N 230.311 2.765 0 40 BFAB COC(=O)CCc1ccc(F)cc1Cl 146468001 CLQYEXIRXJOSFO-UHFFFAOYSA-N 216.639 2.585 0 40 BFAB N[C@H]1CCCC[C@@H]1Nc1ccc(F)cc1F 218866716 UQCAMMUECKXEKP-JQWIXIFHSA-N 226.270 2.647 0 40 BFAB Fc1ccc(Br)c2ncoc12 258840304 ZTWOSMPAUBLUNK-UHFFFAOYSA-N 216.009 2.729 0 40 BFAB COC(=O)CCC(=O)c1cccc(F)c1Cl 309553589 LJPQMLSMINUDME-UHFFFAOYSA-N 244.649 2.615 0 40 BFAB COc1cc(F)cc(C(=O)CCSC)c1 382675660 PJXVQFDERWEFRB-UHFFFAOYSA-N 228.288 2.770 0 40 BFAB C[C@H](O)c1cnc([Si](C)(C)C(C)(C)C)s1 382728853 SNUGOCGKDHYODQ-QMMMGPOBSA-N 243.448 2.912 0 40 BFAB CCNC(=O)N[C@H](C)Cc1cc2ccccc2o1 390828810 BVQGJXYRWUPULA-SNVBAGLBSA-N 246.310 2.683 0 40 BFAB NN(Cc1cccc(F)c1)Cc1cccc(F)c1 618255078 MLBCFUZRXPFONS-UHFFFAOYSA-N 248.276 2.841 0 40 BFAB COC(=O)c1ccccc1OC(=O)C1CCCC1 363971 MWQOGDDFCCNUQR-UHFFFAOYSA-N 248.278 2.569 0 40 BFAB Nc1cc(Cl)c(Cl)c(Cl)c1N 1571582 ZFDILXLUXPRASO-UHFFFAOYSA-N 211.479 2.811 0 40 BFAB CCc1ccc(-c2nc(NN)sc2C)cc1 4293986 ZTSTYZGQVSAPMR-UHFFFAOYSA-N 233.340 2.967 0 40 BFAB CCC(=O)Nc1ccc2ncsc2c1 8804146 UUYJSOYTHDTYEZ-UHFFFAOYSA-N 206.270 2.645 0 40 BFAB Cc1c(N)cccc1C(=O)N(C)C1CCCCC1 19260545 RYBZPMCGYCWZJU-UHFFFAOYSA-N 246.354 2.982 0 40 BFAB C[C@H](NN)c1ccc(Cl)c(Cl)c1 19516829 ZHVMMRGELMHLJB-YFKPBYRVSA-N 205.088 2.518 0 40 BFAB CN(C)c1ccc(-c2cncc(C(=O)O)c2)cc1 32003169 SKTBMKWUAWRZQZ-UHFFFAOYSA-N 242.278 2.513 0 40 BFAB in-vitro CC(=O)c1cc(F)c(Br)cc1F 34062888 JPTNTBSBJPCXGI-UHFFFAOYSA-N 235.027 2.930 0 40 BFAB in-vitro COC(=O)C[C@H](C)CC(=O)c1cccs1 39019684 GHWSYMGCDYXSQA-MRVPVSSYSA-N 226.297 2.520 0 40 BFAB CC1=NN=C2C[C@](C)(O)C[C@H](c3ccccc3)[C@@H]12 39699200 JWURESHMKSCKFL-BPLDGKMQSA-N 242.322 2.762 0 40 BFAB O=C1CCC(Nc2ccc(Cl)nc2)CC1 40435288 LSZXFLBYTLTYQN-UHFFFAOYSA-N 224.691 2.659 0 40 BFAB in-vitro CCC(CC)Nc1ccc(CCO)cc1 40738184 KXCMHIGUBXUIRU-UHFFFAOYSA-N 207.317 2.822 0 40 BFAB COc1ccccc1S[C@H](C)C(C)=O 41031051 GRRIALSICPVTAF-SECBINFHSA-N 210.298 2.765 0 40 BFAB CCNCC1CCN(Cc2ccccc2)CC1 53658954 NPUWCNWUUSYMTF-UHFFFAOYSA-N 232.371 2.508 0 40 BFAB FC(F)c1ncccc1Br 66323383 MDRUEFNPMGSINM-UHFFFAOYSA-N 208.005 2.782 0 40 BFAB c1ccc(CCN2CCC[C@H]2c2ccc[nH]2)nc1 69697111 POZQDYMFQQBLNI-HNNXBMFYSA-N 241.338 2.789 0 40 BFAB O=C(C1CC=CC1)N1CC[C@H]2CCCC[C@H]21 76985121 QCBVNZPXMGZBJL-DGCLKSJQSA-N 219.328 2.744 0 40 BFAB C[C@@H](c1cccc(Cl)c1)N(CCO)C1CC1 79421118 ZXPFSCLOIHDLLL-JTQLQIEISA-N 239.746 2.858 0 40 BFAB Cc1cn(-c2ccccc2Cl)nc1C(=O)O 88613600 XMVOKDPWHPIDSD-UHFFFAOYSA-N 236.658 2.532 0 40 BFAB in-vitro O=C(O)CN1CCC[C@H]1c1cccc(Cl)c1 95960013 UBGKSUZGRGMOIL-NSHDSACASA-N 239.702 2.562 0 40 BFAB CC(C)N1CCC2(CC1)CNc1c(F)cccc12 96261778 XTBHMDATRYRSEB-UHFFFAOYSA-N 248.345 2.993 0 40 BFAB NCc1cccn1-c1cccc(C(F)(F)F)c1 113704039 UQLMJDNSLUBIRY-UHFFFAOYSA-N 240.228 2.955 0 40 BFAB CCO[C@@H](Cc1cccc2ccccc12)C(=O)O 225049647 SWBXDPUDUSCWFE-AWEZNQCLSA-N 244.290 2.872 0 40 BFAB COC(=O)CCC(=O)c1ccc(Cl)cc1C 234686198 RJCITNLVXCOQCQ-UHFFFAOYSA-N 240.686 2.784 0 40 BFAB CC[C@@H](C)n1nccc1CNCc1ccco1 256053325 QZVYIDARPFEOSO-LLVKDONJSA-N 233.315 2.737 0 40 BFAB COc1ccc(OCc2ccc(N)s2)cc1 257736729 RVAXVEJKASWTDN-UHFFFAOYSA-N 235.308 2.918 0 40 BFAB O=C(c1cccc(F)c1Cl)C(F)F 307263832 WMPNICWIWQRYQH-UHFFFAOYSA-N 208.566 2.927 0 40 BFAB Clc1cnc(COc2ccncc2)s1 334710838 VFHHDWAQINOUIT-UHFFFAOYSA-N 226.688 2.771 0 40 BFAB Nc1c(C2CC2)cnn1-c1ccc(Cl)cc1 642882921 QNMUJZNNGYWJKP-UHFFFAOYSA-N 233.702 2.985 0 40 BFAB CC1=CCC[C@@H](C)C(=O)CC2=C(C)C(=O)O[C@H]2C1 1772591991 VILHAYBRKKWZBQ-YGRLFVJLSA-N 248.322 2.954 0 40 BFAB Nc1c2c(nc3sccc13)CCCC2 346401 PMWMMNQYOBSEDT-UHFFFAOYSA-N 204.298 2.757 0 40 BFAB in-vitro CCCOC(=O)Nc1cccc(C(C)=O)c1 1800737 DOGVLRXQNBYMHQ-UHFFFAOYSA-N 221.256 2.848 0 40 BFAB Nc1ccc2c(c1)[C@@H](O)c1cc(Cl)ccc1-2 2043564 WCNBDOGHDLNLCX-ZDUSSCGKSA-N 231.682 2.984 0 40 BFAB Cc1ccc2c(c1)cc(C=O)c(=O)n2CC(C)C 3882763 BQPQJZHXWMLMKZ-UHFFFAOYSA-N 243.306 2.778 0 40 BFAB biogenic CCCNCc1ccc2c(c1)C[C@H](C)O2 4343076 DDBZFWRAKGZMOG-JTQLQIEISA-N 205.301 2.510 0 40 BFAB CC[C@@H](C)NC(=S)Nc1ccccc1F 7557200 YDXXLJAJPGUZEJ-MRVPVSSYSA-N 226.320 2.911 0 40 BFAB CCOC(=O)c1cn[nH]c1-c1cccc(C)c1 8700034 CVKHSRJWOCXTPU-UHFFFAOYSA-N 230.267 2.562 0 40 BFAB C1CN(CC23CC4C[C@H](CC[C@H](C4)C2)C3)CCO1 12343470 CJUFPPXAFDHYKJ-PJPHBNEVSA-N 249.398 2.925 0 40 BFAB COc1ccccc1[C@@H](C)NC(=O)c1ccoc1 12921886 JAOYFYNSZBQETP-SNVBAGLBSA-N 245.278 2.779 0 40 BFAB COc1ccccc1C(=O)N1C[C@@H](C)C[C@@H](C)C1 16973421 LZFKFZYZMJHVTQ-TXEJJXNPSA-N 247.338 2.813 0 40 BFAB Cc1ccc(CC(=O)Nc2ncc(C)s2)cc1 17346479 ZQKAPBYDHVTYSD-UHFFFAOYSA-N 246.335 2.941 0 40 BFAB Nc1cccc(NC(=O)/C=C/c2ccccc2)c1 20345301 MJQQOEVDBZPSQZ-MDZDMXLPSA-N 238.290 2.921 0 40 BFAB CC[C@H]1CCCCN1CCC1CCNCC1 26515076 LRWJBGOTDCCCSZ-AWEZNQCLSA-N 224.392 2.641 0 40 BFAB CCC[C@@H](C)NC(=O)c1ccc(F)c(F)c1 28210438 MKERAJNFGGXFCG-MRVPVSSYSA-N 227.254 2.883 0 40 BFAB C1=C(CCNc2ncnc3n[nH]cc23)CCCC1 31811138 ZLRGNOFFQHDSDF-UHFFFAOYSA-N 243.314 2.655 0 40 BFAB C[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]2CCCC[C@@H]21 32819536 BGWHGSUFDVQZRR-VOAKCMCISA-N 221.344 2.824 0 40 BFAB C[C@H]1CCCN([C@](C)(C(=O)O)c2ccccc2)C1 41843361 YKRHXZCFHDLDLJ-WFASDCNBSA-N 247.338 2.718 0 40 BFAB CCCc1cc(C(=O)N(CCC)CCC)[nH]n1 44007210 MZGKXDKBEJFJHQ-UHFFFAOYSA-N 237.347 2.624 0 40 BFAB C[C@]1(c2ccccc2Cl)C[C@H]1C(=O)O 52126841 DTRQTBNNCPNXHA-GZMMTYOYSA-N 210.660 2.702 0 40 BFAB F/C(=C/I)C(F)(F)F 66312881 UNHLMLCCHROJMY-OWOJBTEDSA-N 239.937 2.795 0 40 BFAB C[C@H]1CC(CN)C[C@H](C)N1Cc1ccccc1 72206939 RBQJXQBTKMCIJI-STQMWFEESA-N 232.371 2.634 0 40 BFAB Cc1nc(N2CCCC2)ccc1C1=NCCC1 72218901 LAJKLZNUUYILTL-UHFFFAOYSA-N 229.327 2.573 0 40 BFAB O=C(O)c1cc(Br)c2[nH]ccc2c1 82328056 TWABBQBQCGGKOU-UHFFFAOYSA-N 240.056 2.629 0 40 BFAB Cc1cncc(NCc2cnn(C(C)(C)C)c2)c1 95430902 PSVGOTDMCSBTLE-UHFFFAOYSA-N 244.342 2.954 0 40 BFAB O=Cc1cc(Cl)c(C(F)(F)F)cn1 95761301 NHCYCXHWBFBRRI-UHFFFAOYSA-N 209.554 2.566 0 40 BFAB Nc1cccc(-c2nc3ccncc3s2)c1 113330532 VMSFRZFGSJXYSS-UHFFFAOYSA-N 227.292 2.941 0 40 BFAB Cc1cc(C)c([C@H](NN)C(F)(F)F)c(C)c1 199538271 SPQDQDAGNIQONW-JTQLQIEISA-N 232.249 2.679 0 40 BFAB Cc1ccc(C)c(NC(=O)c2cnc(C)nc2)c1 222587592 PBYRZHCCXSQFTP-UHFFFAOYSA-N 241.294 2.654 0 40 BFAB CC(C)(C)n1ncc2c1N[C@@H]1CCC[C@H]1C2 225813450 NOZFEHVLHFCHCS-GXSJLCMTSA-N 219.332 2.775 0 40 BFAB Fc1ccc(F)c([C@H]2CCNCCS2)c1 231562117 ZBFUUKXYILRKAN-LLVKDONJSA-N 229.295 2.732 0 40 BFAB CC(C)OCc1ccn(CCC(F)(F)F)n1 408715303 HLXYEKTUZYSWIO-UHFFFAOYSA-N 236.237 2.761 0 40 BFAB Cc1ccc(N2C(=O)c3ccccc3C2=O)cc1 255103 MXNBXEFODBPXBQ-UHFFFAOYSA-N 237.258 2.796 0 40 BFAB COc1ccc(C(=O)CN2CCCCCC2)cc1 503670 WBWHTDUNPFNYIH-UHFFFAOYSA-N 247.338 2.754 0 40 BFAB CCOC(=O)[C@]1(C)O[C@H]1c1ccc(Cl)cc1 586469 NCAJAILXFIVPSI-CMPLNLGQSA-N 240.686 2.733 0 40 BFAB O=C(O)[C@H]1CCC=C[C@@H]1c1ccccc1 1702419 BGIMRFYLXRKZRA-NEPJUHHUSA-N 202.253 2.821 0 40 BFAB CCOC(=O)/C=C/Sc1ccccc1 1736323 PNBDVKSFHMUOKR-CMDGGOBGSA-N 208.282 2.856 0 40 BFAB CC[C@]1(C)C[C@](CCN)(C(C)C)CCO1 2109109 IEYBMVZVJJBDIT-CHWSQXEVSA-N 213.365 2.957 0 40 BFAB biogenic Brc1ccc(C2OCCCO2)cc1 2581191 HMXWGZTXWOBGOC-UHFFFAOYSA-N 243.100 2.885 0 40 BFAB CC(=O)OCC(=O)[C@@]1(C)CC[C@@H](C)C1(C)C 3846171 ULLVLIKQBNKVSQ-NOZJJQNGSA-N 226.316 2.581 0 40 BFAB biogenic Cc1ccc(-c2csc(CC(N)=S)n2)cc1 4206036 TYNXSOIJPOGOIE-UHFFFAOYSA-N 248.376 2.947 0 40 BFAB Cc1cc(CSc2ccccc2C(=O)O)no1 4206688 ABHVAMDKSLWIAS-UHFFFAOYSA-N 249.291 2.974 0 40 BFAB CCCN1C(=O)S/C(=C\c2ccccn2)C1=O 6323893 YPGYAIPCNDSGKL-NTMALXAHSA-N 248.307 2.528 0 40 BFAB COc1ccc(-c2cccc(C=O)c2)cn1 6715210 ZVONWYZOKJCKEJ-UHFFFAOYSA-N 213.236 2.570 0 40 BFAB CCOc1cc(CN[C@@H](C)CC)ccc1OC 8326725 HHSKXBOXXDKGFB-NSHDSACASA-N 237.343 2.982 0 40 BFAB CCCCCC(=O)Nc1ccc(C(=O)O)cc1 8433935 XIHKZAWEGFWFLJ-UHFFFAOYSA-N 235.283 2.904 0 40 BFAB C[C@H]1CC[C@H](C)N1c1cccc(C(=O)O)c1 8703802 XRUBTHYGOWUUDN-UWVGGRQHSA-N 219.284 2.762 0 40 BFAB C[C@@H]1CSc2nc3nc4ccccc4c-3nn21 8844783 GQJREHOPPSDOOB-SSDOTTSWSA-N 242.307 2.598 0 40 BFAB C[C@H]1CNC[C@H](C)N1c1cccc(Cl)c1 11632662 QMAUYBSZLQHJBV-UWVGGRQHSA-N 224.735 2.527 0 40 BFAB Cc1cc2c(cc1C)[C@@H](N)CC(C)(C)O2 11848959 QYFREVFIVRIKQH-NSHDSACASA-N 205.301 2.864 0 40 BFAB OC1(CNCc2ccc(F)cc2)CCCCC1 14113719 HCLMCNLAHQDUJB-UHFFFAOYSA-N 237.318 2.611 0 40 BFAB CC(C)(C)c1ccc(OC[C@@H]2CCNC2)cc1 14632425 OXJNIKFDTZQRIT-GFCCVEGCSA-N 233.355 2.972 0 40 BFAB CCOc1ncc(C)cc1Br 15021959 QZWWAXJNZMPWRD-UHFFFAOYSA-N 216.078 2.551 0 40 BFAB in-vitro Cc1ccc(NC(=O)c2ccc(F)cc2)cc1N 19518153 MQKGCHBTHYYTQV-UHFFFAOYSA-N 244.269 2.969 0 40 BFAB COc1ccc(-n2c(N)nc3ccccc32)cc1 20586123 JVPLJKXNGDCRGS-UHFFFAOYSA-N 239.278 2.616 0 40 BFAB C1CC2(CCN1)C1CC3CC(C1)CC2C3 28901000 IAFCMIMWVTYCPL-UHFFFAOYSA-N 205.345 2.812 0 40 BFAB COc1cccc(S[C@@H](C)C(C)=O)c1 35230716 GVMIDHRWIQNRDA-VIFPVBQESA-N 210.298 2.765 0 40 BFAB COCC(=O)c1cccc2ccccc12 36182742 LBZZMNCUUCHTLL-UHFFFAOYSA-N 200.237 2.669 0 40 BFAB C[C@H]1C[C@@H](Sc2ncccc2Cl)C(=O)O1 40493679 PXAPMOVMHCGKJK-POYBYMJQSA-N 243.715 2.531 0 40 BFAB O=C(CNC1CCCCC1)c1ccc(F)cc1 41612195 FTFWWXGDWNBAAF-UHFFFAOYSA-N 235.302 2.931 0 40 BFAB c1ccc2c(c1)NC1(CCOCC1)S2 43827743 BZAXEPUVRHNBAO-UHFFFAOYSA-N 207.298 2.711 0 40 BFAB COCc1nc(-c2ccc3c(c2)OCO3)cs1 49079378 KHIJLTZWRBLWPD-UHFFFAOYSA-N 249.291 2.685 0 40 BFAB Cc1cc(C)cc(Nc2cc(N)nc(C)n2)c1 49467258 YCUWOAQUANHYNI-UHFFFAOYSA-N 228.299 2.728 0 40 BFAB CC(C)[C@@H](C)N(Cc1nc(C2CC2)no1)C1CC1 57996590 FQRVYNJVXGBWLU-SNVBAGLBSA-N 249.358 2.956 0 40 BFAB CCCCCNC(=O)C1=Cc2ccccc2OC1 61190922 XFYCSBKMBDZJTL-UHFFFAOYSA-N 245.322 2.769 0 40 BFAB CCCC[C@@H]1CCC[C@H]1NC(=O)[C@@H](C)OCC 68709748 LWVSAJAAMVUGDI-JHJVBQTASA-N 241.375 2.887 0 40 BFAB CCN1CCC[C@@H]1c1cccnc1SC 72216932 BVNQPNPGSFHYFG-LLVKDONJSA-N 222.357 2.960 0 40 BFAB CC[C@H](N)c1ccc(N2CCCCC2)nc1C 72224552 NGWAKMAFOBFIME-ZDUSSCGKSA-N 233.359 2.790 0 40 BFAB NCc1ccc2nc(-c3ccccc3)oc2c1 75410506 IDWBCOMFDZWQEQ-UHFFFAOYSA-N 224.263 2.954 0 40 BFAB CCc1csc(NC(=O)/C=C/c2ccco2)n1 78512248 IPOLPGWGOBJOAF-AATRIKPKSA-N 248.307 2.950 0 40 BFAB C[C@@H](OC(=O)C=C1CCC1)c1ccccn1 79075455 PXQPOJYSXBVMGL-SNVBAGLBSA-N 217.268 2.796 0 40 BFAB Cc1occc1C(=O)N1CCC[C@H]2CCC[C@@H]21 89540593 IHDIPNADDDHPJB-YPMHNXCESA-N 233.311 2.993 0 40 BFAB C[C@H](CCCCN(C)C)NCc1ccccc1 96006891 ALOPWJJEUXZWQD-CQSZACIVSA-N 234.387 2.897 0 40 BFAB CC[C@@H](C)N1CCc2ncnc(C3CC3)c2CC1 96255118 JBWJSDDUKBXMSK-LLVKDONJSA-N 245.370 2.553 0 40 BFAB COC(=O)c1c(Cl)ccc2cc(C)cnc12 96341689 ANDJNURFPTXAEU-UHFFFAOYSA-N 235.670 2.983 0 40 BFAB CCSCc1nnc(C2CC2)n1C1CC1 97083832 SSOXCJWLCSBAFD-UHFFFAOYSA-N 223.345 2.744 0 40 BFAB Cc1cccc(C)c1[C@@H](O)C(F)(F)F 116925454 PEQGZZCTWOHNBC-SECBINFHSA-N 204.191 2.899 0 40 BFAB Cc1nc(SC(C)C)c(C(=O)O)s1 218308120 SIGGXYRIEMFWLI-UHFFFAOYSA-N 217.315 2.650 0 40 BFAB c1c(C2CCC2)n[nH]c1C1CCOCC1 256052433 NHKYLAJKFWJEJT-UHFFFAOYSA-N 206.289 2.571 0 40 BFAB CC(C)c1nnc(N2C[C@H]3CCC[C@H]3C2)s1 301749053 HRNJUPABYDYXIG-AOOOYVTPSA-N 237.372 2.898 0 40 BFAB CCCNC(=O)c1ccc2sc(C)nc2c1 408975681 CATTZWVYTSOTNE-UHFFFAOYSA-N 234.324 2.745 0 40 BFAB CCNC(=S)Nc1ccc(C)cc1C 116452 VBIYAZMBBFOQPO-UHFFFAOYSA-N 208.330 2.610 0 40 BFAB Cc1cccc(NC(=O)c2ccccc2)n1 153963 DGNOULWVJGOOFT-UHFFFAOYSA-N 212.252 2.642 0 40 BFAB CC(C)[C@@H]1OCCN1[C@H](C)CCCC(C)(C)O 507900 RDSYFMCJZMLINT-OLZOCXBDSA-N 243.391 2.630 0 40 BFAB CCC[C@@H](C)NC(=O)c1ccccc1OC 1017033 MZNRIVNAMOMSEE-SNVBAGLBSA-N 221.300 2.614 0 40 BFAB CCO[C@@H](CN1CCCC1)c1ccccc1 1755506 QGGLZIVESWLVPS-AWEZNQCLSA-N 219.328 2.860 0 40 BFAB Cc1ccc2c(c1)sc1nnc(C)n12 2024906 GMZULTAPVYULPI-UHFFFAOYSA-N 203.270 2.561 0 40 BFAB CCCCC(=O)CCCCCC(=O)O 2378799 HZIZHWOQKWVNFR-UHFFFAOYSA-N 200.278 2.781 0 40 BFAB F[C@H](C(F)(F)F)C(F)(F)[C@@H]1CCCO1 2530871 LUFBQXOWLQEASN-WHFBIAKZSA-N 222.128 2.701 0 40 BFAB in-vitro CC(C)(C)C(=O)OCCc1ccccc1 2575100 DPVYDTACPLLHCF-UHFFFAOYSA-N 206.285 2.818 0 40 BFAB in-vitro c1ccc(CNc2ncnc3cccnc23)cc1 3815367 WALLIFXHVLZYJG-UHFFFAOYSA-N 236.278 2.637 0 40 BFAB Cn1cccc1CNC1C2CC3CC(C2)CC1C3 4488543 CRUVXZIJPZIMLB-UHFFFAOYSA-N 244.382 2.939 0 40 BFAB CCC[C@@H](C)NC(=O)Cc1ccc(C)cc1 4681088 XOEAMEPFUZSQFQ-GFCCVEGCSA-N 219.328 2.842 0 40 BFAB CC(=O)c1ccc(NC2=NC(=O)SC2)cc1 5685895 SNZFXTYQGROUCO-UHFFFAOYSA-N 234.280 2.566 0 40 BFAB C[C@H]1CCC[C@@H](NC(=O)c2ccco2)[C@@H]1C 6469115 RZGCUTGKLOKALL-HBNTYKKESA-N 221.300 2.834 0 40 BFAB CC[C@@H](C)C(=O)Nc1ccc(N)cc1Cl 8732375 HPFHKKWNTHYMAM-SSDOTTSWSA-N 226.707 2.907 0 40 BFAB O=C1Cn2c(nc3ccccc32)-c2ccccc2N1 13130067 WYFSKPGSCIUQHE-UHFFFAOYSA-N 249.273 2.655 0 40 BFAB O=C(NCc1cccc(Cl)c1)c1ccoc1 16199689 MFEQSONCVSDJAE-UHFFFAOYSA-N 235.670 2.863 0 40 BFAB CCCCC(=O)Nc1ccc(F)cc1N 19391346 UTGROILSCPMNMT-UHFFFAOYSA-N 210.252 2.537 0 40 BFAB N[C@@H](c1cccc(F)c1)c1cccs1 19842086 CRDOIKVWLSKCIE-NSHDSACASA-N 207.273 2.935 0 40 BFAB Nc1cc(NC(=O)C2CCC2)ccc1Cl 20157154 FWSCSECFJSTIHR-UHFFFAOYSA-N 224.691 2.661 0 40 BFAB O=Cc1cncc(-c2ccccc2F)c1 20443299 RIVJOXXMSMMZQF-UHFFFAOYSA-N 201.200 2.700 0 40 BFAB Cc1ccoc1C(=O)NC1CCC(C)CC1 21668370 WMRSBQYKTVAALN-UHFFFAOYSA-N 221.300 2.897 0 40 BFAB CC(C)n1c(=S)[nH]c2ccsc2c1=O 21949263 GRSHWTOEIMDSDN-UHFFFAOYSA-N 226.326 2.701 0 40 BFAB N[C@H]1CCCCC[C@H]1Oc1ccccc1F 23066706 ZVXQPBIGHATYPM-WCQYABFASA-N 223.291 2.865 0 40 BFAB C[C@H]1C[C@H]1C(=O)NC12CC3CC(CC(C3)C1)C2 23584073 KEDJQFLLRPRICD-DNXSLQQOSA-N 233.355 2.727 0 40 BFAB CSCCC(=O)Nc1nc(C2CC2)cs1 25563764 ZHCSGBZUKLHBND-UHFFFAOYSA-N 242.369 2.712 0 40 BFAB CN(C(=O)C[C@H]1C=CCC1)C1CCCC1 32901612 RWIDYGGSOJRYCY-NSHDSACASA-N 207.317 2.744 0 40 BFAB CC(C)(C(=O)O)c1ccccc1Br 33487189 FLSGJYHPNFXLSS-UHFFFAOYSA-N 243.100 2.811 0 40 BFAB in-vitro O=c1oc2ccc(F)cc2cc1Br 34141387 JJYBTHHDSWCEDD-UHFFFAOYSA-N 243.031 2.695 0 40 BFAB COc1ccc([C@H](C)CC(=O)O)cc1Cl 34324824 VBMOEIOSCLQVCZ-SSDOTTSWSA-N 228.675 2.927 0 40 BFAB C=CC(=O)N[C@H](C)c1ccc(CC)cc1 37003911 FYPKWIWUXFSQBD-SNVBAGLBSA-N 203.285 2.612 0 40 BFAB COc1ccc(C(F)(F)F)cc1/C=C/C(=O)O 38529998 FAXJHQWJVWEASH-GORDUTHDSA-N 246.184 2.812 0 40 BFAB Cc1cccc(C)c1C(=O)c1ccccn1 43210503 DDPYTYVJXIMTST-UHFFFAOYSA-N 211.264 2.929 0 40 BFAB OCCCN1CCC(=Cc2ccccc2)CC1 59672381 LMHPRBCVDUDZLD-UHFFFAOYSA-N 231.339 2.548 0 40 BFAB CC(C)OC(=O)/C=C/c1ccc(F)cc1 62714337 DLUIJXGYGMIELP-VMPITWQZSA-N 208.232 2.791 0 40 BFAB Clc1cnn(CCOc2ccccc2)c1 69696730 LVAOWDJQNYDXRF-UHFFFAOYSA-N 222.675 2.616 0 40 BFAB CCC[C@@H]1CCCC[C@@H]1NC(=O)NCC 71796298 JGIMTQYGTUYZSK-MNOVXSKESA-N 212.337 2.664 0 40 BFAB Cc1ccccc1N(C(=O)[C@H]1CCOC1)C(C)C 71858637 PLLXJLHVKYDLKO-ZDUSSCGKSA-N 247.338 2.773 0 40 BFAB Cc1cc(N(C)c2ccccc2)ncc1C=O 72223330 ZUPVDDXLXIBOKN-UHFFFAOYSA-N 226.279 2.970 0 40 BFAB CCc1ccc(O)c(NC(=O)c2ccoc2)c1 74825848 IJIWXGCXUCNZJR-UHFFFAOYSA-N 231.251 2.800 0 40 BFAB O=c1sccn1Cc1cccc(Cl)c1 75146006 NTGDFJLLNZAONK-UHFFFAOYSA-N 225.700 2.612 0 40 BFAB CC[C@@H]1CN(Cc2csc(C)n2)CCS1 76073580 NKYNMKBLKZKIHH-LLVKDONJSA-N 242.413 2.779 0 40 BFAB CC(C)N1CCC[C@@H](c2noc(C3CC3)n2)C1 78890851 PTWIXHBLCJJFPQ-LLVKDONJSA-N 235.331 2.535 0 40 BFAB CCCCC[C@H](C)NC(=O)[C@H](C(C)C)N(C)C 84743010 RTBNEYLNLMZKIM-STQMWFEESA-N 242.407 2.658 0 40 BFAB CC(C)Cc1sc(Cl)nc1C(=O)O 95095459 WAQHWFSOHLVKJJ-UHFFFAOYSA-N 219.693 2.693 0 40 BFAB CCOc1cc(Cl)ccc1CNC(=O)CC 95434610 XGHAGMMRMOKLNO-UHFFFAOYSA-N 241.718 2.765 0 40 BFAB COCOc1ccc(F)c(Cl)c1F 95611864 JJDHPHAIQUGGPI-UHFFFAOYSA-N 208.591 2.601 0 40 BFAB CC(C)[C@@](C)(O)c1ccccc1N(C)C 95739293 SNZNEDMYAYCQMF-CYBMUJFWSA-N 207.317 2.616 0 40 BFAB Cc1cnc([C@H](C)NC2CCSCC2)s1 95968998 FELLZYBATWBYSR-VIFPVBQESA-N 242.413 2.998 0 40 BFAB C=COCCOC(=O)c1c(C)oc(C)c1C 97113117 WZDOFFHTIZGHLK-UHFFFAOYSA-N 224.256 2.522 0 40 BFAB Cc1ccc(CN(C)[C@@H](C)c2ccccn2)nc1 97113649 BMBUAKRTBWFPNI-ZDUSSCGKSA-N 241.338 2.978 0 40 BFAB C[C@@H](Nc1csc2ccccc12)C(=O)O 98088117 YPJJGMCMOHDOFZ-SSDOTTSWSA-N 221.281 2.786 0 40 BFAB CCNCc1cccn1-c1ccc(C)cc1 113703980 PZPRCIZAAHHXAE-UHFFFAOYSA-N 214.312 2.895 0 40 BFAB COc1ccc(NC(=O)C2(C)CC2)c(C)c1 152696055 HHRUAHPKBSZZGQ-UHFFFAOYSA-N 219.284 2.742 0 40 BFAB O[C@@H](c1nccc2ccccc12)C(F)(F)F 203527784 DOMBYTKFJYPWFG-JTQLQIEISA-N 227.185 2.831 0 40 BFAB Cc1ccc([C@H](O)c2cccc(N)c2)c(C)c1 226291598 TZBYKQCPKAZKRT-OAHLLOKOSA-N 227.307 2.967 0 40 BFAB CC(C)(c1cc(N)ccn1)C(F)(F)F 256051511 JKZHZMTVGSTMPJ-UHFFFAOYSA-N 204.195 2.504 0 40 BFAB Oc1cc(-c2csc(C(F)F)c2)nc(O)n1 575629503 ZBFNOCCGHYXBEO-UHFFFAOYSA-N 244.222 2.554 0 40 BFAB COc1c(C#N)ccc(C(F)(F)F)c1F 575644731 ARGNJKZNBFILIR-UHFFFAOYSA-N 219.137 2.725 0 40 BFAB CCOC(=O)c1ccc([C@H]2CCCCN2)cc1 616612413 AZMULAKKDFWOJZ-CYBMUJFWSA-N 233.311 2.678 0 40 BFAB O=C1N[C@@H](c2ccccc2)CCC1(Cl)Cl 343540 VIOVAUGSESYAND-SECBINFHSA-N 244.121 2.812 0 40 BFAB O=C(OCCNC1CCCCC1)c1ccccc1 1710457 RGVPNCLDGNOWQF-UHFFFAOYSA-N 247.338 2.766 0 40 BFAB CCCCCC[C@H](C)NCC(C)(C)O 1716847 QKIUHZKEPBOCQT-NSHDSACASA-N 201.354 2.706 0 40 BFAB Nc1c(Cl)c(Cl)cc(C(=O)O)c1Cl 2030971 FOWJBJHXTGLGGG-UHFFFAOYSA-N 240.473 2.927 0 40 BFAB O=C(O)[C@@H]1CCC[C@H]1C(=O)c1ccc(F)cc1 2574427 NHQQJKKAHSUBRB-GHMZBOCLSA-N 236.242 2.509 0 40 BFAB Oc1ccccc1OC[C@H](O)c1ccccc1 3190065 GPCWYPVIFBLEET-ZDUSSCGKSA-N 230.263 2.505 0 40 BFAB Cc1ccccc1CSCCC(=O)O 6302785 MJUKSBFPFNRCBT-UHFFFAOYSA-N 210.298 2.703 0 40 BFAB CNCc1ccc(-c2ccc([C@@H](C)O)cc2)o1 7540957 SYMJTAIPCFLKKM-SNVBAGLBSA-N 231.295 2.719 0 40 BFAB CC[C@@H]1CCCCN1C(=O)c1cccc(N)c1C 8703652 JEHDSWRLJIRKSN-GFCCVEGCSA-N 246.354 2.982 0 40 BFAB O=C(c1cc2cc(F)ccc2s1)N1CCC1 12973787 QELBRLOLGCLXSV-UHFFFAOYSA-N 235.283 2.886 0 40 BFAB CCNC(=O)CCCOc1ccc(Cl)cc1 14398712 IUEKOBUJSIQFGN-UHFFFAOYSA-N 241.718 2.635 0 40 BFAB CCCOCCOc1ccc(Cl)cc1N 14629357 WIUJEQAJHCQLEK-UHFFFAOYSA-N 229.707 2.728 0 40 BFAB O=C1c2ccccc2CC[C@H]1[C@@H]1CCCCCN1 19375169 CXDGODKFOPUAJM-GJZGRUSLSA-N 243.350 2.964 0 40 BFAB Cc1cccc(C(=O)Nc2ccccc2F)n1 24353951 VIMQDYYRQPCODP-UHFFFAOYSA-N 230.242 2.781 0 40 BFAB Cc1cc(C(=O)N[C@@H](C)c2ccccn2)c(C)o1 28781924 VGHSNHARPQKHOR-JTQLQIEISA-N 244.294 2.782 0 40 BFAB COCc1cccc(NC(=O)NC2CCCC2)c1 31045008 RLWWBXOAFBFZDD-UHFFFAOYSA-N 248.326 2.897 0 40 BFAB Cc1ccnc(NC(=O)OCC(F)(F)F)c1 32628882 ZMVGRNODDNMSGR-UHFFFAOYSA-N 234.177 2.501 0 40 BFAB in-vitro NCC1(c2ccc(Cl)c(Cl)c2)CC1 33487065 WGIWUCJRJIKJAU-UHFFFAOYSA-N 216.111 2.984 0 40 BFAB CC(C)Oc1nc(C(=O)O)cc2ccccc12 36951539 LJUCYZSDTXTORG-UHFFFAOYSA-N 231.251 2.720 0 40 BFAB CCN[C@H](c1ccc(F)cc1)c1ccccn1 37534492 CUAYFENNZXRDNA-CQSZACIVSA-N 230.286 2.920 0 40 BFAB in-vitro Cc1ccc(CN(C)C(=O)Cc2cccs2)o1 40459497 RLJHQNBJMHYEIS-UHFFFAOYSA-N 249.335 2.851 0 40 BFAB Cc1cc(N)c2oc(-c3cccnc3)nc2c1 41568900 KBORYSKADCGPTO-UHFFFAOYSA-N 225.251 2.780 0 40 BFAB CN(CC1CC1)c1ccc(Br)cn1 42388519 GZHCKCDVCPGIBF-UHFFFAOYSA-N 241.132 2.690 0 40 BFAB c1ccc2[nH]c(SC[C@@H]3CCCNC3)nc2c1 43471674 RIEIRLFFYNPXTN-SNVBAGLBSA-N 247.367 2.655 0 40 BFAB Clc1ccc(-c2nc(C3CC3)no2)cn1 45893968 YFJRVUMKZSEPAG-UHFFFAOYSA-N 221.647 2.662 0 40 BFAB CC(C)c1ccsc1C(=O)Nc1cnn(C)c1 48891758 STOXJAJBCHTBLU-UHFFFAOYSA-N 249.339 2.857 0 40 BFAB c1ccc(-c2n[nH]c(-c3cccs3)n2)nc1 54699969 ALDFAFMEWPBQKH-UHFFFAOYSA-N 228.280 2.595 0 40 BFAB CCCc1noc(CN2CCCC[C@H]2CC)n1 58283228 OYCCFWXWBIGDDM-LLVKDONJSA-N 237.347 2.787 0 40 BFAB CC(C)c1nc(CNC(=O)[C@H]2C[C@@H]2C)cs1 71879565 IOURNVBNHGRUDO-WPRPVWTQSA-N 238.356 2.539 0 40 BFAB CCCCN1CCC[C@@H]1c1cccnc1O 72212311 AVBZBTCKGIPFPS-GFCCVEGCSA-N 220.316 2.724 0 40 BFAB Cc1cc([C@H]2CCCN2C)cnc1Cl 72217766 WMIQGBVZWHDJSW-SNVBAGLBSA-N 210.708 2.810 0 40 BFAB CC[C@@H](N)c1cnc(NC(C)C)c(C)c1 72221973 IFGOPPMBNCLIPL-LLVKDONJSA-N 207.321 2.620 0 40 BFAB Cc1cc2scc(CC(=O)O)c2s1 75621814 PLXUKOSONZDWIW-UHFFFAOYSA-N 212.295 2.898 0 40 BFAB Oc1cccc(-c2cccc3[nH]ncc23)c1 76188739 JKPHTTZZRKBZKE-UHFFFAOYSA-N 210.236 2.936 0 40 BFAB Clc1ccc(SC[C@H]2CCCCO2)nn1 95948043 ZDKHSHKGQGFYAT-MRVPVSSYSA-N 244.747 2.791 0 40 BFAB CC(C)Cc1c(Cl)ncnc1Cl 118374361 GIVFWAFZJZZPLL-UHFFFAOYSA-N 205.088 2.982 0 40 BFAB Cc1coc2c1C(=O)C[C@@H](C(F)F)C2 217646559 FKEKIKCGNQDTBD-ZCFIWIBFSA-N 200.184 2.598 0 40 BFAB Cc1ccc(N[C@H]2CCCC[C@H]2N)c(F)c1 218867108 BEYAYJXCSGJMIU-YPMHNXCESA-N 222.307 2.816 0 40 BFAB CNC(=O)CCc1c(Cl)cccc1Cl 222101994 MQCIFMHRMXQQOA-UHFFFAOYSA-N 232.110 2.672 0 40 BFAB Cc1ccc(C)c([C@H](O)c2cccc(N)c2)c1 226291610 KHHQLWCVIMIBFP-OAHLLOKOSA-N 227.307 2.967 0 40 BFAB COC(=O)CCC(=O)c1ccc(C)c(Cl)c1 234686135 WAEVLERZULIFHF-UHFFFAOYSA-N 240.686 2.784 0 40 BFAB CCCCCC[C@H](C)N1CCNC[C@H]1C 238808730 DWUSIMXKIRNGMX-QWHCGFSZSA-N 212.381 2.639 0 40 BFAB CCCn1cc(CNCCC(C)C)c(C)n1 256053049 PTSKDYXESUVESJ-UHFFFAOYSA-N 223.364 2.737 0 40 BFAB Cc1cccnc1C[C@H]1CC2(CCOCC2)CO1 257206016 BBNCVYMFCHXMEJ-ZDUSSCGKSA-N 247.338 2.518 0 40 BFAB CC(=O)Nc1n[nH]c(C2CC2)c1-c1ccccc1 864493755 ITSQGYKIEKPCPH-UHFFFAOYSA-N 241.294 2.913 0 40 BFAB CCOC(=O)c1[nH]c2ccc(F)cc2c1C 522175 KLUPNBFUMHAPHG-UHFFFAOYSA-N 221.231 2.792 0 40 BFAB in-vitro COc1ccc(C2OCC(C)(C)CO2)cc1 1874325 ODSAXSINAPNDSW-UHFFFAOYSA-N 222.284 2.767 0 40 BFAB CCn1cc(CNc2ccc(OC)cc2)c(C)n1 2536251 LWOUEFFJBKBTAL-UHFFFAOYSA-N 245.326 2.832 0 40 BFAB COc1cccc(OC)c1[C@@H]1CCCCN1 3734614 IZWNTQGOMAUBLP-JTQLQIEISA-N 221.300 2.518 0 40 BFAB CCOc1cccc2cc([C@H](C)N)oc12 4207389 YXKMVRUDXGEDPW-QMMMGPOBSA-N 205.257 2.851 0 40 BFAB in-vitro COc1cccc(C)c1[C@@H]1C[C@H]2CCCN2O1 5641131 SHGNNDWQMPJFTO-YPMHNXCESA-N 233.311 2.844 0 40 BFAB CCOC(=O)c1cc2c(F)cc(F)cc2[nH]1 14982963 ISBZIGKSIQWVQA-UHFFFAOYSA-N 225.194 2.623 0 40 BFAB in-vitro O=C1CCCC[C@H]1CCc1ccncc1 17302014 ZFJZMLITADDWGG-LBPRGKRZSA-N 203.285 2.774 0 40 BFAB Nc1cc(-c2cccc(Cl)c2Cl)[nH]n1 19423430 NKAJWUSKKGOBNF-UHFFFAOYSA-N 228.082 2.966 0 40 BFAB CCCCNCc1ccc(O)c(OCC)c1 19906917 BUVNPWDSSYRKEZ-UHFFFAOYSA-N 223.316 2.681 0 40 BFAB O=C(O)Cc1cc(-c2cc3ccccc3o2)on1 26421073 QIKSGCCTSBCGBJ-UHFFFAOYSA-N 243.218 2.715 0 40 BFAB CN(C(=O)C1CC1)[C@H]1CCc2ccccc21 32905277 GCZXKXJDMTZRSR-ZDUSSCGKSA-N 215.296 2.542 0 40 BFAB COc1ccc(C(=O)c2cccc(N)c2C)cc1 33469223 TWTDGHUVDYJLLO-UHFFFAOYSA-N 241.290 2.817 0 40 BFAB c1ccc(CN2CCC3=C(CCCO3)C2)cc1 34581876 XWHFCXSCCBJTAS-UHFFFAOYSA-N 229.323 2.957 0 40 BFAB Cc1noc(C)c1Cn1cnc2ccccc21 36640228 QFVLPWUAQJRVMV-UHFFFAOYSA-N 227.267 2.689 0 40 BFAB N[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 37381466 HNSQANLLXAISTN-RCOVLWMOSA-N 202.084 2.808 0 40 BFAB CCc1ccc(-c2nc(CC(=O)O)c(C)o2)cc1 41292185 YLKKNZZZCGZIKJ-UHFFFAOYSA-N 245.278 2.840 0 40 BFAB C[C@@H]1C[C@H]1C(=O)NCCc1cccc(Cl)c1 45601102 REHCTCPTSJTQMA-BXKDBHETSA-N 237.730 2.655 0 40 BFAB CC(C)C[C@H](CN)N[C@H](C)c1ccccc1 62151985 KKVIPCWNLAUNJZ-TZMCWYRMSA-N 220.360 2.711 0 40 BFAB in-vitro CC(=O)c1sc(NCC2CCC2)nc1C 63630394 OEQSFJNKABNTMS-UHFFFAOYSA-N 224.329 2.866 0 40 BFAB CC1=CC(=O)[N+](c2cccc(Cl)c2)=N1 71610035 RONVOZVIVFXDTF-UHFFFAOYSA-N 207.640 2.880 0 40 BFAB CC(C)CCN1CCC[C@@H]1c1cnn(C)c1 71797225 YFLVKJUDRFFSJZ-CYBMUJFWSA-N 221.348 2.603 0 40 BFAB CCOc1ccc(C(=O)c2ccccc2)cn1 72225158 BSYOIPPQQMXDFP-UHFFFAOYSA-N 227.263 2.711 0 40 BFAB C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Nc1cn[nH]c1 72289029 XZPJHYVGRPNBKF-FOGDFJRCSA-N 248.330 2.595 0 40 BFAB O=C(C[C@H]1CCCCCN1)c1ccccc1 72312130 HDXWDSBVMJKQNQ-CYBMUJFWSA-N 217.312 2.792 0 40 BFAB in-vitro CC(C)Cn1cc(C(C)C)cc1C(=O)O 78404817 IVOMIOZWRSRSJZ-UHFFFAOYSA-N 209.289 2.966 0 40 BFAB C[C@H](NC(=O)OC(C)(C)C)c1cccc(O)c1 79036502 WOFCTRSNCBCJCV-VIFPVBQESA-N 237.299 2.978 0 40 BFAB in-vitro Cc1nnc(NCc2ccc(Cl)cc2)o1 95445176 AFGBADWLNUOARA-UHFFFAOYSA-N 223.663 2.644 0 40 BFAB Cc1cn(-c2ccc(Br)cc2)cn1 95915794 RHUGYTKASKANII-UHFFFAOYSA-N 237.100 2.943 0 40 BFAB Cc1ccc(NC(=O)c2cc(O)cc(O)c2)cc1 95983131 TYMCGLCRHGDENQ-UHFFFAOYSA-N 243.262 2.659 0 40 BFAB CCOc1ncc(Cl)cc1Br 117755152 WEYBLESMIVPANA-UHFFFAOYSA-N 236.496 2.896 0 40 BFAB CCc1nn(C)c(CC)c1CN[C@H]1CC=CCC1 195546045 DHYPDEVXHZRMAF-LBPRGKRZSA-N 247.386 2.743 0 40 BFAB Cc1nc(-c2noc(-c3ccccc3F)n2)co1 216623489 CSFVJAWHYALYCU-UHFFFAOYSA-N 245.213 2.839 0 40 BFAB COc1cc(N)ccc1N1C[C@@H](C)C[C@H](C)C1 216767715 DISYUOVJHSNSOW-QWRGUYRKSA-N 234.343 2.760 0 40 BFAB Nc1cc2cc(-c3ccccc3)cnc2[nH]1 228972809 SRPUJIUTHLZOON-UHFFFAOYSA-N 209.252 2.812 0 40 BFAB CCc1noc(-c2ccc(C)nc2C2CC2)n1 351062427 JWVIWMPVMZZEII-UHFFFAOYSA-N 229.283 2.880 0 40 BFAB c1ccc2nc(OC3CCOCC3)ccc2c1 585650506 ANJOIIZLAPKBMM-UHFFFAOYSA-N 229.279 2.793 0 40 BFAB CC1(C)C[C@H](N)C[C@H](Oc2ncccc2F)C1 694574386 IRTPJTIMZMOCNY-ZJUUUORDSA-N 238.306 2.506 0 40 BFAB Cc1cc(Cl)cc2c(O)nc(S)nc12 1775967064 CZPGXCGDCPTLFB-UHFFFAOYSA-N 226.688 2.586 0 40 BFAB CCCCOCCOC(=O)c1ccccc1C 1641663 BOHYXDMTSRXBBZ-UHFFFAOYSA-N 236.311 2.969 0 40 BFAB CCN(CC)C[C@H](C)C(=O)c1ccccc1 1672154 NASHLIIGQWPYGG-LBPRGKRZSA-N 219.328 2.847 0 40 BFAB C[C@H]1CC(C)(C)N[C@H](c2ccccc2)O1 1678144 LIYXZGJOUFBNHP-JQWIXIFHSA-N 205.301 2.862 0 40 BFAB C[C@@H](OC[C@H]1CO1)c1ccc(Cl)cc1 3389624 JGGQRANUJHVHLH-KCJUWKMLSA-N 212.676 2.816 0 40 BFAB in-vitro O[C@@H](c1ccoc1)C(F)(F)C(F)(F)F 4269621 RIYFTZCOJUYTDU-YFKPBYRVSA-N 216.105 2.511 0 40 BFAB CCOCC(=O)Nc1cc(Cl)cc(Cl)c1 6155126 WOVCAPRYILDDKX-UHFFFAOYSA-N 248.109 2.968 0 40 BFAB Fc1cccc(-c2cnnc(NC3CCC3)n2)c1 11840905 RYVRDERMQLMFRP-UHFFFAOYSA-N 244.273 2.642 0 40 BFAB COc1ccc([C@H](N)c2cccs2)cc1 19842009 UGYQKUPMLNVCIX-LBPRGKRZSA-N 219.309 2.805 0 40 BFAB CSc1ccc(CNCC2CC2)cc1 20086224 BDHVLROVHWDVMV-UHFFFAOYSA-N 207.342 2.908 0 40 BFAB CCOc1cc(CN)ccc1O[C@H](C)CC 20470841 OQSQRQLQFMDIKW-SNVBAGLBSA-N 223.316 2.721 0 40 BFAB C[C@H](NC(=O)[C@H]1CC=CCC1)c1ccncc1 27404767 CYVWBWVMEAOWFF-AAEUAGOBSA-N 230.311 2.615 0 40 BFAB O[C@H](c1ccccc1Cl)C(F)(F)F 34381091 HCCWDTPILJKWCQ-SSDOTTSWSA-N 210.582 2.936 0 40 BFAB in-vitro CC(C)(C)[C@@H]1CCc2[nH]c(=O)sc2C1 34669847 HUFUSTAOUGGSMK-SSDOTTSWSA-N 211.330 2.587 0 40 BFAB in-vitro CCNc1ccccc1I 34937872 WQNXDOPZKIHJEX-UHFFFAOYSA-N 247.079 2.723 0 40 BFAB CC[C@H](O)Cc1cccc(Br)c1 37465451 ICJABOJSUKIZED-JTQLQIEISA-N 229.117 2.763 0 40 BFAB O=C1CCCCC[C@@H]1C(=O)c1ccco1 43651207 GYOPMQGIYDWGCI-VIFPVBQESA-N 206.241 2.612 0 40 BFAB Fc1cc(NCc2ncc[nH]2)ccc1Cl 49715191 BYUHXWDCFDQWRJ-UHFFFAOYSA-N 225.654 2.814 0 40 BFAB CC(C)N(CCO)Cc1ccccc1Cl 49824759 RBEFMUWZLOXVFQ-UHFFFAOYSA-N 227.735 2.543 0 40 BFAB CNCc1ccccc1OCCC(F)(F)F 70911771 GFCJXZMOWBPUHQ-UHFFFAOYSA-N 233.233 2.737 0 40 BFAB Cn1cc(C2=CCNCC2)c2ccccc21 82728951 IYVSWFIJIOPUDN-UHFFFAOYSA-N 212.296 2.555 0 40 BFAB in-vitro COC(=O)c1cc(Cl)cc2cc[nH]c12 96321282 NRHVYJRAVVKLBZ-UHFFFAOYSA-N 209.632 2.608 0 40 BFAB in-vitro COc1ccc(C)cc1[C@@H](C)N[C@]1(C)CCOC1 97038574 DGCUEFWNQLXXMC-IUODEOHRSA-N 249.354 2.833 0 40 BFAB C[C@@H]1CCCCCN1Cc1ccncc1 98013300 KCCAEHHFFYCFKW-GFCCVEGCSA-N 204.317 2.846 0 40 BFAB CC(C)c1cccc(N2CCCNC2=O)c1 98096615 RXEZRWWUXGABDK-UHFFFAOYSA-N 218.300 2.730 0 40 BFAB in-vitro C=CC(=O)O[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 100099458 PSGCQDPCAWOCSH-GBIKHYSHSA-N 208.301 2.930 0 40 BFAB NCC12c3ccccc3[C@@H]3C1[C@@H]3c1ccccc12 101043411 IRIFPDNYPYWIRM-RYTJFDOTSA-N 233.314 2.756 0 40 BFAB OC1(c2cccc(Br)c2)CCC1 196742098 ABDSPZIVLQFVPF-UHFFFAOYSA-N 227.101 2.821 0 40 BFAB in-vitro Cc1c(-c2ccc(Cl)cc2)nc(N)n1C 199560632 RAABIOZFNBJGCG-UHFFFAOYSA-N 221.691 2.631 0 40 BFAB Cc1cc(C)c2c(NCCN)cc(C)nc2c1 222685553 GHYZHVVYOHHDQA-UHFFFAOYSA-N 229.327 2.531 0 40 BFAB CCN1[C@@H](C)Cc2[nH]ccc2[C@@H]1C(C)C 223711949 WRQVWPDZJOZRFL-GWCFXTLKSA-N 206.333 2.978 0 40 BFAB C[C@@H]1CCCCN1c1nsc(Cl)n1 225782718 NNGSLVFMLNJPGL-ZCFIWIBFSA-N 217.725 2.570 0 40 BFAB Oc1nc2cccc(F)c2c(O)c1CC1CC1 685937495 ZEUHWKZXPCBPSZ-UHFFFAOYSA-N 233.242 2.738 0 40 BFAB CCOC(=O)c1cccc2c1OC(C)(C)CC2=O 1772714718 MCMQFIYWRVATDQ-UHFFFAOYSA-N 248.278 2.607 0 40 BFAB CCc1cc2c(=O)n(CC(C)C)cnc2s1 148855 WPBKKNCTLRFOAM-UHFFFAOYSA-N 236.340 2.676 0 40 BFAB Cc1cc(C)nc(N(C)Cc2ccccc2)n1 150097 AEJXLAYTOVFZRY-UHFFFAOYSA-N 227.311 2.730 0 40 BFAB CC(C)(C)C(=O)O[C@H]1CC1(Cl)Cl 162220 BZMNBKWURGNGRM-YFKPBYRVSA-N 211.088 2.522 0 40 BFAB CC[n+]1cccc(-c2nc3ccccc3o2)c1 226183 BNNQBZRXINCXOF-UHFFFAOYSA-N 225.271 2.802 0 40 BFAB CCn1nccc1C(=O)Nc1ccc(C)c(F)c1 371826 IXCQZJCCBNDVTF-UHFFFAOYSA-N 247.273 2.603 0 40 BFAB Cc1nc2c(ncn2-c2ccccc2)c(=S)[nH]1 1591470 MNIFVNFBMSRXQY-UHFFFAOYSA-N 242.307 2.787 0 40 BFAB c1ccc2cc(N3CCOCC3)ccc2c1 1594146 LHKYRIHPZFWSFK-UHFFFAOYSA-N 213.280 2.676 0 40 BFAB C[C@H](Oc1cccc(Cl)c1)n1cncn1 2473921 NHOYPQIQGDWPCS-QMMMGPOBSA-N 223.663 2.529 0 40 BFAB Nc1ccc2[nH]c(Cc3ccc(F)cc3)nc2c1 4937183 WCVOJAQWNPNHMH-UHFFFAOYSA-N 241.269 2.875 0 40 BFAB CCOc1ccc(NC(=O)c2cc(C)no2)cc1 6788975 VTYJBSIVNDCSDT-UHFFFAOYSA-N 246.266 2.634 0 40 BFAB O=C(O)C1(NCc2ccccc2)CCCCC1 8698558 LGRMLVTYZWVRJQ-UHFFFAOYSA-N 233.311 2.564 0 40 BFAB Nc1cc(N2CCCCC2)ccc1Cl 8701847 SRRHKINEMSEJJI-UHFFFAOYSA-N 210.708 2.913 0 40 BFAB Cc1cc(-c2nc(-c3ccccc3F)no2)n[nH]1 9002109 CKMKHFDDRHKWAG-UHFFFAOYSA-N 244.229 2.574 0 40 BFAB CCOc1ccc2c(c1)c(C[C@H](C)N)cn2CC 9421888 GSANBSZQIKNWFM-NSHDSACASA-N 246.354 2.950 0 40 BFAB CN(C)c1ccc(-c2ccccc2CN)cc1 14629065 JFZYYUXRBCYJLK-UHFFFAOYSA-N 226.323 2.878 0 40 BFAB CCOCCOc1ccc(N)cc1C(F)(F)F 14630166 KLMOJKBBTOUNPZ-UHFFFAOYSA-N 249.232 2.703 0 40 BFAB in-vitro Cc1oc(-c2cccc(Cl)c2)nc1CN 21924513 POIFIVXWYWJIKF-UHFFFAOYSA-N 222.675 2.762 0 40 BFAB CN1CCC[C@@H]1Cc1c[nH]c2ccccc12 28397608 HCTCDEAMCNSARD-GFCCVEGCSA-N 214.312 2.805 0 40 BFAB O=C(NCCc1ccc(Cl)cc1)C1CCC1 32958627 UDGADEMVILCREF-UHFFFAOYSA-N 237.730 2.799 0 40 BFAB C=CC(=O)Nc1cc(C)nc2ccccc12 35219902 TWNJDYKFODILPU-UHFFFAOYSA-N 212.252 2.668 0 40 BFAB Cc1ccc(CN(C)C(=O)CC(F)(F)F)cc1 40496638 FRYUNVHPXJRBEU-UHFFFAOYSA-N 245.244 2.906 0 40 BFAB COc1ccc(Br)c(CC(C)=O)c1 43502029 UKGKUAMICNDRMM-UHFFFAOYSA-N 243.100 2.589 0 40 BFAB COc1ccc(C(=O)c2ccnc(C)c2)cc1 45038425 DJTPBCFIMRPWGR-UHFFFAOYSA-N 227.263 2.630 0 40 BFAB O=Cc1ccc(OC(F)F)c(OCC2CC2)c1 59796790 AHVVCELVGCPYGI-UHFFFAOYSA-N 242.221 2.889 0 40 BFAB in-vitro O=C([C@@H]1CCCO1)N1CCC[C@@]2(CC=CCC2)C1 71907711 NKBUXDBGEDFFBY-ZFWWWQNUSA-N 249.354 2.514 0 40 BFAB COCCCC(=O)NC(C)(C)c1cccc(C)c1 71914376 QSSKZANTRRPACK-UHFFFAOYSA-N 249.354 2.773 0 40 BFAB O=C(O)C1CCC(Oc2ccccc2)CC1 75147760 MVBTXSNFQZKGKV-UHFFFAOYSA-N 220.268 2.709 0 40 BFAB O=C(O)c1ncsc1Nc1ccccc1 81897035 LHSFOSULVDZRBV-UHFFFAOYSA-N 220.253 2.585 0 40 BFAB in-vitro COC(=O)c1c[nH]c2cc(C(F)(F)F)ccc12 85210387 NLOZHNZNDVZPBE-UHFFFAOYSA-N 243.184 2.973 0 40 BFAB CCC[C@@](C)(O)c1cc(F)cc(F)c1 86336453 LAKXNOBVFNQHHZ-LLVKDONJSA-N 200.228 2.972 0 40 BFAB CNC(=O)Nc1cc(-c2ccccc2)ns1 89391667 ZBXRDZSDEHKFLY-UHFFFAOYSA-N 233.296 2.561 0 40 BFAB Cc1occc1C(=O)N1C[C@H]2CCCC[C@@H]2C1 89540586 MLXYPZDMXDEZDR-VXGBXAGGSA-N 233.311 2.850 0 40 BFAB CC(=O)c1c(O)cc(C(F)(F)F)cc1F 97439009 LZHIBHWBEJATCT-UHFFFAOYSA-N 222.137 2.753 0 40 BFAB NC(=O)c1ccc(F)c(Oc2ccccc2)c1 98087286 GLHKJRYVFRAGNU-UHFFFAOYSA-N 231.226 2.717 0 40 BFAB C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2C 100309249 YGSVZRIZCHZUHB-WKPIXPDZSA-N 231.339 2.546 0 40 BFAB CS[C@@H]1CC[C@H](N(C)Cc2cccnc2)C1 110641631 MUDLPZGTKQGBCX-QWHCGFSZSA-N 236.384 2.798 0 40 BFAB CC(C)[C@H]1CNc2nn(-c3ccccc3)c(O)c21 110757794 YWUUSIJUAXQIMP-LLVKDONJSA-N 243.310 2.743 0 40 BFAB C[C@@H](CO)N[C@H]1C[C@@H](c2ccccc2)C1(C)C 123464367 BUHSTDYMOSNGSY-UBHSHLNASA-N 233.355 2.539 0 40 BFAB CC(C)Sc1ccc(Cn2ccnn2)cc1 195568165 FPQNWTCJYMSKEP-UHFFFAOYSA-N 233.340 2.827 0 40 BFAB COc1ccc([C@H](C)N[C@H]2CCCC[C@@H]2N)cc1 218868818 VQTRNMZJWYDLFO-CQDKDKBSSA-N 248.370 2.616 0 40 BFAB Clc1ccn2cncc2c1Br 238553528 PMIOBCSVTMEAHL-UHFFFAOYSA-N 231.480 2.750 0 40 BFAB CC1(C)CCN(c2ccnc3ncccc23)C1 872467053 GWMVPEBXYSASHQ-UHFFFAOYSA-N 227.311 2.866 0 40 BFAB COc1ccc(C)cc1NC(=O)c1ccncc1 909978 SQRWYSOKGNTMIW-UHFFFAOYSA-N 242.278 2.651 0 40 BFAB COC(=O)[C@@H](C)Oc1ccc2ccccc2c1 967845 XPUKIATWMAOOFP-SNVBAGLBSA-N 230.263 2.780 0 40 BFAB biogenic,in-vitro CCOC(=O)CCCCc1ccccc1 1665974 QCHDRUGIAZBPGB-UHFFFAOYSA-N 206.285 2.963 0 40 BFAB Cc1cc(Nc2ccc(C)c(C)c2)nc(N)n1 1681556 AZUJLCPVNZANMR-UHFFFAOYSA-N 228.299 2.728 0 40 BFAB ClC(Cl)(Cl)Sn1cccn1 1692374 VDRPADALJJQJTN-UHFFFAOYSA-N 217.508 2.707 0 40 BFAB CCCCCCC(=O)OC[C@@H]1CCCO1 4429685 OPVZUZXHVJJCKC-NSHDSACASA-N 214.305 2.679 0 40 BFAB CC(C)C(=O)Nc1cc(-c2ccccc2)no1 5451483 HADHWBUNMAZRLB-UHFFFAOYSA-N 230.267 2.936 0 40 BFAB CC[C@@H](Oc1ccccc1)C(=O)N1CCCCC1 5476735 MDXTWTAXVWDLNV-CQSZACIVSA-N 247.338 2.857 0 40 BFAB Cc1cc(Cl)cc2c(O)c(C(=O)O)cnc12 5687174 DPLKYWZNVGBVNR-UHFFFAOYSA-N 237.642 2.600 0 40 BFAB CCOc1ccccc1Nc1cc(C)ncn1 11902772 OUAQWADSGNOTDE-UHFFFAOYSA-N 229.283 2.927 0 40 BFAB CC(C)N(Cc1ccccc1)CC1CCNCC1 11953446 AYTKCKVUIWZKNR-UHFFFAOYSA-N 246.398 2.897 0 40 BFAB C[C@H](NC(=O)NC1CC1)c1ccccc1Cl 12894663 GINYPXYHLSXPBZ-QMMMGPOBSA-N 238.718 2.863 0 40 BFAB C[C@H](NC(=O)[C@@H]1C[C@H]1C)c1ccc(F)cc1 12913567 UGNNRFZFLLHTDD-VDDIYKPWSA-N 221.275 2.659 0 40 BFAB CC(C)=C[C@@H]1CC[C@]2(C)[C@@H](O)CC[C@@](C)(O)[C@@H]12 14618423 FKMCEEHVCIIPLE-BTFPBAQTSA-N 238.371 2.891 0 40 BFAB biogenic CCc1ccc(Nc2ncccc2N)cc1 15864733 CVOVVCDULLXROA-UHFFFAOYSA-N 213.284 2.970 0 40 BFAB NN1Cc2ccc3c4c(ccc(c24)C1)C=C3 19167527 MSAIMWRCNDXGGW-UHFFFAOYSA-N 208.264 2.513 0 40 BFAB NCC1(c2ccccc2C(F)(F)F)CC1 20440677 ALLBBKZZMNLOMW-UHFFFAOYSA-N 215.218 2.696 0 40 BFAB CCCCNC[C@@H]1CCCCN1CCC 22073518 KZKXGHWQGDBVPP-ZDUSSCGKSA-N 212.381 2.641 0 40 BFAB CCc1nc(Cl)n(-c2ccc(F)cc2)n1 22125368 SZOWCNFHSCOSRU-UHFFFAOYSA-N 225.654 2.622 0 40 BFAB O=C(Nc1cccnc1)c1cc2c(s1)CCC2 24332476 RINDLFGQKZSKCG-UHFFFAOYSA-N 244.319 2.884 0 40 BFAB CCOc1ncccc1NC(=O)c1ccsc1 27514745 MNEOEGDLFUZKOZ-UHFFFAOYSA-N 248.307 2.794 0 40 BFAB Cc1c(N)cccc1-c1nnc2n1CCCCC2 32626954 DCCJGJQHVLKHSQ-UHFFFAOYSA-N 242.326 2.562 0 40 BFAB Cc1cccc2[nH]c(-c3ccncc3)nc12 32668222 VKEGMENAGTZULS-UHFFFAOYSA-N 209.252 2.933 0 40 BFAB CN(C)c1cccc(C(=O)C(F)(F)Cl)c1 34729817 PXDWLXJNKKVDFL-UHFFFAOYSA-N 233.645 2.767 0 40 BFAB O=C(NCCc1ccsc1)[C@@H]1CC=CCC1 36392611 UNVMOIRSQRBTFP-GFCCVEGCSA-N 235.352 2.763 0 40 BFAB O=C(O)c1cnccc1Oc1ccccc1 38887024 QJVUQFFLIRLHBM-UHFFFAOYSA-N 215.208 2.572 0 40 BFAB CCOC(=O)CCC(=O)c1ccc(Cl)s1 43214428 QJTDCLHXLRTBME-UHFFFAOYSA-N 246.715 2.928 0 40 BFAB Cc1cc([C@@H](C)NC(=O)NC2CC2)c(C)s1 46063050 OTIXOJBYRFAGBJ-MRVPVSSYSA-N 238.356 2.888 0 40 BFAB O=C(O)c1ccc(F)c(N2CCCCC2)c1 49819158 KNLSDMLOYYLWME-UHFFFAOYSA-N 223.247 2.514 0 40 BFAB OC/C=C/c1ccccc1C(F)(F)F 70453353 LTSVUJCQNDJOJO-HWKANZROSA-N 202.175 2.711 0 40 BFAB C[C@H](N)CCc1cccc(OC(F)F)c1 72206795 RMZAGXXXGBXALU-QMMMGPOBSA-N 215.243 2.568 0 40 BFAB Cc1nc(S)ccc1[C@@H](N)c1ccccc1 72224836 SXVWSGHKILFFFK-ZDUSSCGKSA-N 230.336 2.727 0 40 BFAB CC(C)c1nc(C(=O)N2CCCC2)cs1 74714606 OCJKWGGLUDHNBP-UHFFFAOYSA-N 224.329 2.503 0 40 BFAB Cc1ccc([C@H](O)c2ccccc2)c(N)c1 75109563 XZEKURUKOJMJLQ-CQSZACIVSA-N 213.280 2.659 0 40 BFAB O=C(Nc1ccccc1F)[C@H]1CCSC1 82324106 YPZIWSWEJDWOKE-QMMMGPOBSA-N 225.288 2.517 0 40 BFAB O=C(O)CC1(c2ccc(F)cc2)CCC1 84386725 ZAEJUIRKBQZZBE-UHFFFAOYSA-N 208.232 2.722 0 40 BFAB C[C@H](Sc1cn[nH]n1)c1ccccc1F 84660757 FCSSFAVQWBJLGH-ZETCQYMHSA-N 223.276 2.797 0 40 BFAB O=Cc1nc(-c2ccc(Cl)cc2Cl)no1 89262077 YZMOYOUGDGMURB-UHFFFAOYSA-N 243.049 2.856 0 40 BFAB CC(C)CCCN[C@@H]1c2ccccc2C[C@@H]1O 95445326 SWWNGDQIWALQKC-LSDHHAIUSA-N 233.355 2.671 0 40 BFAB CCC(O)(CC)c1ccc(F)cc1OC 95739409 ZDWBFVVCVQAIDZ-UHFFFAOYSA-N 212.264 2.842 0 40 BFAB CCOC(=O)C(C)(C[C@@H](C)CC)C(=O)OCC 95864812 LYTPHCFAPFXOQP-JTQLQIEISA-N 244.331 2.555 0 40 BFAB CC1(C)C[C@@H](N[C@H]2CCOC2)c2ccccc21 95983723 UVCYJXMOPGBZSQ-SMDDNHRTSA-N 231.339 2.788 0 40 BFAB CN1CCCCC12CCN(Cc1ccco1)CC2 96051189 CSSGEXTYRZTBLZ-UHFFFAOYSA-N 248.370 2.730 0 40 BFAB C[C@@H]1CCCC[C@H]1CNC[C@H](O)c1ccncc1 96502324 UYVVXTRABFLPBP-SNPRPXQTSA-N 248.370 2.531 0 40 BFAB Cc1cccc(-c2nc(-c3ccoc3)n[nH]2)c1N 97105552 ZJQMPGWMGMNLEE-UHFFFAOYSA-N 240.266 2.622 0 40 BFAB CCOc1ccc(NC(=O)C2(C)CC2)cc1 155266263 NHLSELKXTXNLPQ-UHFFFAOYSA-N 219.284 2.824 0 40 BFAB Cc1cc(C)cc(N[C@H]2CCC[C@@H]2N)c1 218884187 VZGRKBOUSFKNIP-STQMWFEESA-N 204.317 2.595 0 40 BFAB CC(C)Cc1nnc(CC(C)C)n1-n1cccc1 225150563 WMHWJQHJQCCULV-UHFFFAOYSA-N 246.358 2.788 0 40 BFAB O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)C1CCCCC1 247745092 QLUAISSKUYNJKR-WCFLWFBJSA-N 221.344 2.872 0 40 BFAB CC[C@@H](C)OCc1ccn(C(F)F)n1 408715321 INVCPAYXHJZSPY-SSDOTTSWSA-N 204.220 2.593 0 40 BFAB CC[C@@H](C)n1cc(Cl)c(COC)n1 408715478 RPAXIVBWEOGPJF-SSDOTTSWSA-N 202.685 2.654 0 40 BFAB CCOc1cnc2cc(C)ccc2c1C(=O)O 685937727 YIMGPVSEJZIJBD-UHFFFAOYSA-N 231.251 2.640 0 40 BFAB CC(C)(C)OC(=O)N[C@@H]1CC(F)(F)C[C@H]1F 710673637 WZBPQGVPNWCBHJ-RNFRBKRXSA-N 239.237 2.647 0 40 BFAB C[S@](=N)(=O)Cc1ccc(Br)cc1 1565504817 NIQQYJJUPYEIKV-LBPRGKRZSA-N 248.145 2.626 0 40 BFAB Cc1ccc(C2=NNC(C)(C)S2)cc1 45681 MKEYQJODKDIKLW-UHFFFAOYSA-N 206.314 2.729 0 40 BFAB CCOc1ccccc1C(=O)NCc1ccco1 48831 QRNSYTDBDNZDGG-UHFFFAOYSA-N 245.278 2.608 0 40 BFAB CC(=O)OC[C@]12CO[C@@H](C)[C@H](C1)C(C)=C[C@H]2C 187151 FLTREWUZEUGCGE-ZMJPVWNMSA-N 238.327 2.557 0 40 BFAB biogenic CO[C@H](CC(=O)O)C[C@H](C)CC(C)(C)C 1693472 YDEMTSOBLWQIAR-UWVGGRQHSA-N 216.321 2.939 0 40 BFAB C/C=C/COC(=O)COc1ccc(Cl)cc1 1719119 NNXLJVUHVLGXHB-NSCUHMNNSA-N 240.686 2.838 0 40 BFAB Nc1ccc2c(c1)C(=O)c1c(F)cccc1-2 1726003 OCMPJISNJWIRHA-UHFFFAOYSA-N 213.211 2.619 0 40 BFAB O=C(O)c1cc(C(F)(F)F)c(F)cc1F 2382330 SQWIBAQCNRNRKF-UHFFFAOYSA-N 226.100 2.682 0 40 BFAB Cc1cc(Cl)cc2sc(NN)nc12 2455668 CZVUVHRYOAEHAJ-UHFFFAOYSA-N 213.693 2.544 0 40 BFAB C[C@H]1CCO[C@H]([C@@H](C)c2ccccc2)O1 4791954 PXHOWQRLOQCIKA-GVXVVHGQSA-N 206.285 2.942 0 40 BFAB CNc1nc(-c2cc(C)n(C)c2C)cs1 7844453 JMCGWPFCJWLUEQ-UHFFFAOYSA-N 221.329 2.807 0 40 BFAB Cc1cc(C)cc(O[C@H](C)C(=O)NC(C)(C)C)c1 8558652 HUUURKADICHXCJ-GFCCVEGCSA-N 249.354 2.985 0 40 BFAB Cc1cccc(-n2cccc2CO)c1C 8701623 VJLYORACHMOVJE-UHFFFAOYSA-N 201.269 2.586 0 40 BFAB Cc1cnc(C(=O)Nc2ccc(C)c(C)c2)cn1 8750875 RLBOKTZJNSKPSG-UHFFFAOYSA-N 241.294 2.654 0 40 BFAB C[C@H](NC(=O)NC1CC1)c1ccc(Cl)cc1 12937111 MEBYBYIPRAQKIM-QMMMGPOBSA-N 238.718 2.863 0 40 BFAB CCCNC(=O)CCCOc1ccc(C)cc1 14400097 GHAYWLBFAIRCEM-UHFFFAOYSA-N 235.327 2.680 0 40 BFAB Nc1ccc(-c2nc(-c3ccco3)no2)cc1 19772038 BSOPZMGVZJGPSR-UHFFFAOYSA-N 227.223 2.579 0 40 BFAB CC[C@@H](C)NCCCN1CCCC[C@@H]1C 19913183 YIHQUCLGWUZLCY-OLZOCXBDSA-N 212.381 2.639 0 40 BFAB CSc1ccc2[nH]c3c(c2c1)CCNC3 31343237 CDKWKTNSSJEIBH-UHFFFAOYSA-N 218.325 2.536 0 40 BFAB O=C(Nc1ccccn1)C1(c2ccccc2)CC1 32732263 BCONTTJBORAXJM-UHFFFAOYSA-N 238.290 2.752 0 40 BFAB C[C@@H]1C[C@@H]1C(=O)NC1(c2ccccc2)CCC1 32841206 NWKRUTIFHKDZNJ-YPMHNXCESA-N 229.323 2.838 0 40 BFAB CN(C(=O)Cc1cccc(F)c1)C1CCCC1 32845239 TZQANHLOFXYJTK-UHFFFAOYSA-N 235.302 2.769 0 40 BFAB CN(C(=O)[C@H]1CC=CCC1)C1CCCC1 32845553 WLJOSPIAXDOJBY-NSHDSACASA-N 207.317 2.744 0 40 BFAB Oc1nnc(-c2ccc(Cl)cc2Cl)o1 34406345 YXTDMWXZZFKFHI-UHFFFAOYSA-N 231.038 2.749 0 40 BFAB CCC[C@@H](O)c1ccc(OC)cc1OC 34741786 MARHZILTLMEJQM-LLVKDONJSA-N 210.273 2.537 0 40 BFAB CC(C)CCNC(=O)N1CCc2ccccc21 36179771 KUSSIZFUVYVSSH-UHFFFAOYSA-N 232.327 2.805 0 40 BFAB CCC[C@@H](C)C(=O)NCc1cccs1 40457622 MKJBJKLILCGBAC-SECBINFHSA-N 211.330 2.801 0 40 BFAB Cc1cccc(C(C)C)c1NC(N)=S 41218033 ILVNJHHMEKUCNX-UHFFFAOYSA-N 208.330 2.774 0 40 BFAB O[C@@H]1CCc2c(Cl)cc(Cl)cc21 42405531 ZIMJJJUNFVBXJO-SECBINFHSA-N 203.068 2.973 0 40 BFAB in-vitro COc1ccccc1SC[C@H]1CCCNC1 43471815 MYSNTFYDRLDXDP-NSHDSACASA-N 237.368 2.787 0 40 BFAB COC(=O)[C@H](C)Nc1ccccc1C(F)(F)F 43626026 QPRNEWXQZSNSLP-ZETCQYMHSA-N 247.216 2.679 0 40 BFAB COCCN(Cc1ccco1)C1CCCC1 52077033 VUFGKHADTLASFW-UHFFFAOYSA-N 223.316 2.671 0 40 BFAB C[C@H](Sc1ncn[nH]1)c1ccc(F)cc1 58104189 KSUXTYHRUAXVKQ-ZETCQYMHSA-N 223.276 2.797 0 40 BFAB CC(=O)NCc1cc(C)cc2c(C)c(C)[nH]c12 58208961 LPLROIOPDNBYAR-UHFFFAOYSA-N 230.311 2.729 0 40 BFAB CCCC[C@H](CC)C[C@@H](S)C(=O)O 59584415 MQKUWGMWXVSSDB-DTWKUNHWSA-N 204.335 2.976 0 40 BFAB CC(C)CNCCCc1nc2ccccc2[nH]1 62718688 XCWZGZJEJRPXKC-UHFFFAOYSA-N 231.343 2.741 0 40 BFAB CCCNc1cc(C)c([C@@H](N)CC)cn1 72223216 BPRFWKNDRMFCLH-NSHDSACASA-N 207.321 2.622 0 40 BFAB O[C@@H](C[C@H]1CCCCCN1)c1cccs1 72314402 QWXLNLHPFKERAM-MNOVXSKESA-N 225.357 2.704 0 40 BFAB in-vitro COC(=O)c1c(Br)ccc(C)c1F 75852213 AHFHGHNOEORYLM-UHFFFAOYSA-N 247.063 2.683 0 40 BFAB in-vitro CC(=O)N1CC[C@H](CSc2ccccc2)C1 81287813 SMAMNTIBAIINGS-LBPRGKRZSA-N 235.352 2.647 0 40 BFAB CCCCC[C@H](C)NC(=O)NC(C)C 84743047 IHKIBHUNAZSCRQ-JTQLQIEISA-N 200.326 2.663 0 40 BFAB CN(C(=O)C1CC1)C1CCCCCCC1 89334965 OPUCGFMXYWUISZ-UHFFFAOYSA-N 209.333 2.968 0 40 BFAB O=C(CCn1ccnc1)c1cc2ccccc2o1 89873052 BWKREZFEUNXBME-UHFFFAOYSA-N 240.262 2.902 0 40 BFAB O=Cc1ccnc(Cl)c1C(F)(F)F 95762003 WEGGONOXDIMXRZ-UHFFFAOYSA-N 209.554 2.566 0 40 BFAB CC(C)[C@H]1OCC[C@H]1CNc1ccccn1 96453806 XVCYMPDDGVYKPL-WCQYABFASA-N 220.316 2.555 0 40 BFAB O=C(Nc1cc(F)ccc1O)c1ccsc1 98018453 KNSOSEBNEBZWLZ-UHFFFAOYSA-N 237.255 2.845 0 40 BFAB COc1cccc2c1[C@@H]1[C@H]3[C@H]4C=C[C@@H]4[C@H]2[C@@H]31 101003252 YCSMNJDXPUOOSB-YYBWVHMRSA-N 210.276 2.938 0 40 BFAB Cc1oncc1CN1CCc2sccc2C1 158609296 BZRWEAQTHVPIBI-UHFFFAOYSA-N 234.324 2.603 0 40 BFAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](C)N21 222639712 RYDGTFKDYRMSGL-SCVCMEIPSA-N 247.367 2.708 0 40 BFAB CC[C@H](C(=O)O)N(C)c1cccc(Cl)c1C 224991239 JICGAPPTTDZCDD-SNVBAGLBSA-N 241.718 2.948 0 40 BFAB Cc1cc(Cl)ccc1N(C)[C@@H](C)C(=O)O 224991679 DQKSVGILKYQKGG-QMMMGPOBSA-N 227.691 2.558 0 40 BFAB CCCc1ccc(C(=O)OC)n1CCC 226025706 NCUCEOIBBNSBRY-UHFFFAOYSA-N 209.289 2.637 0 40 BFAB N[C@H](C[C@@H](CCO)C(F)(F)F)c1ccccc1 256053447 RMVNTJUVZGGYGE-GHMZBOCLSA-N 247.260 2.637 0 40 BFAB Cc1cc(-c2cc([C@H]3CCCN3C)ccn2)[nH]n1 257269466 MQBCWYOSHAQBEM-CQSZACIVSA-N 242.326 2.547 0 40 BFAB O=C(c1cccc2ccccc12)N1CC(CF)C1 335223884 XPYOUCXUCXDBIH-UHFFFAOYSA-N 243.281 2.881 0 40 BFAB CC(C)(C)c1cc(O)nc2ccc(N)cc12 685937219 CSFLMTXVAJXCGX-UHFFFAOYSA-N 216.284 2.820 0 40 BFAB Cc1cc(NC(=O)c2cnccn2)ccc1Cl 1437176958 KCUOZBLNITZVHZ-UHFFFAOYSA-N 247.685 2.691 0 40 BFAB O=CNC1c2ccccc2Oc2ccccc21 190066 GPXHRDQLQISAMT-UHFFFAOYSA-N 225.247 2.628 0 40 BFAB OCC[C@@H](O)n1c2ccccc2c2ccccc21 486205 VWZHCSZBZYMQQM-OAHLLOKOSA-N 241.290 2.668 0 40 BFAB biogenic CC(=O)Nc1ccc(N2CCC(C)CC2)cc1 559768 GRZDKLDZOZNJLX-UHFFFAOYSA-N 232.327 2.881 0 40 BFAB O=C(O)CCCCCc1ccc(O)cc1 1690863 DQTMUMLMQOJHCI-UHFFFAOYSA-N 208.257 2.580 0 40 BFAB in-vitro O=C(O)COc1cc(F)c(Cl)cc1Cl 1706130 LSSSOONFFKLPEM-UHFFFAOYSA-N 239.029 2.596 0 40 BFAB CCCCNCc1cc2cccc(C)c2[nH]c1=O 1840157 NRWJNELPTOSTEI-UHFFFAOYSA-N 244.338 2.726 0 40 BFAB Cc1ccc(C(=O)O)cc1N1CCCCC1 4245090 RPSIVZIUDOKBNU-UHFFFAOYSA-N 219.284 2.684 0 40 BFAB NCc1cccc(-c2ccccc2F)c1 5768171 WCWIXRQMTGHCPT-UHFFFAOYSA-N 201.244 2.951 0 40 BFAB CCc1cccc(C)c1NC(=O)C1CC1 6125513 LNZYWKFANGFQJE-UHFFFAOYSA-N 203.285 2.906 0 40 BFAB C[C@H]1CC(=O)CC[C@H]1OCc1ccccc1 6416568 VSVQOQRPJLWUPY-SMDDNHRTSA-N 218.296 2.961 0 40 BFAB Cc1nc(-c2ccccc2)[nH]c(=O)c1CC(C)C 8169740 HAUFRTRKMMEMQX-UHFFFAOYSA-N 242.322 2.944 0 40 BFAB CCC(C)(C)C(=O)Nc1ccccc1CO 19897741 DGHUBRNUARLYPT-UHFFFAOYSA-N 221.300 2.554 0 40 BFAB CCN(CCC(=O)O)c1cccc(Cl)c1 20133827 SRJKANILRGIGKE-UHFFFAOYSA-N 227.691 2.641 0 40 BFAB NCc1cccnc1N1CCCc2ccccc21 22175165 YRMPQYYLEPEAOE-UHFFFAOYSA-N 239.322 2.625 0 40 BFAB O=C(O)CCS/C=C\c1ccccc1 33364534 KFDYJVLPKDVZJC-VURMDHGXSA-N 208.282 2.865 0 40 BFAB CCc1cc(Br)cc2cn[nH]c12 39102566 UXSIDFXINVIZIM-UHFFFAOYSA-N 225.089 2.888 0 40 BFAB in-vitro Cc1ccc(F)cc1Nc1ncnc2[nH]ncc12 41121181 OMEJGNJJIABQKK-UHFFFAOYSA-N 243.245 2.544 0 40 BFAB CC(C)c1ccc(C[C@H](C)[C@H](N)CC(=O)O)cc1 44215204 MMGDWUDUVAVLSO-SMDDNHRTSA-N 249.354 2.791 0 40 BFAB Cc1ccc(CCCO)c(Br)c1 44383318 RIVDQJNISTWOTC-UHFFFAOYSA-N 229.117 2.682 0 40 BFAB COc1cccc(C(=O)c2ccc(Cl)cc2)n1 45028727 QVFGUKJKIPGFIF-UHFFFAOYSA-N 247.681 2.975 0 40 BFAB C[C@H]1C[C@@H](C)CN(c2ccnc(=S)[nH]2)C1 45918644 KJJQFJCLZZULMT-DTORHVGOSA-N 223.345 2.621 0 40 BFAB NC(=O)c1ccc(-c2ccccc2F)s1 46308472 ZSWDPKIGHFLTFW-UHFFFAOYSA-N 221.256 2.653 0 40 BFAB O=C(O)c1cc(Cl)nc2c(F)cccc12 62152109 ZSNWNYKGQWDQEO-UHFFFAOYSA-N 225.606 2.726 0 40 BFAB CN1C(=O)SC(=C2CCCCC2)C1=O 65090555 GMFMMHDVRXXPQT-UHFFFAOYSA-N 211.286 2.530 0 40 BFAB O=C1C[C@@H](c2ccccc2)c2ccc(O)cc2N1 66089334 QBMKHRHNYHHUAR-ZDUSSCGKSA-N 239.274 2.866 0 40 BFAB Cc1cc2c(nc1C)oc1c(S)ncnc12 71283828 NDCLONWSVZGDAS-UHFFFAOYSA-N 231.280 2.677 0 40 BFAB CC(C)CC(=O)NC/C=C/c1ccccc1 71902898 SRWXKGYHSUPHOE-RMKNXTFCSA-N 217.312 2.862 0 40 BFAB CCOc1ncccc1[C@@H]1CCCCN1C(C)=O 72211873 VADZPLFONQMBMC-ZDUSSCGKSA-N 248.326 2.554 0 40 BFAB CCCCN1CCC[C@H]1c1ccc(O)nc1 72212262 MMRSFRCCQFXXCB-LBPRGKRZSA-N 220.316 2.724 0 40 BFAB OCc1c2c(nc3ccc(Cl)cc13)CCC2 82479850 VGLOFMPNQDXXPB-UHFFFAOYSA-N 233.698 2.869 0 40 BFAB NCc1c(OCCF)ccc2ccccc12 85391455 GYKVEDSHAPXPJF-UHFFFAOYSA-N 219.259 2.647 0 40 BFAB CC(C)CC(C)(C)CNCc1cc[nH]n1 89802389 XAVILTRANYYHJQ-UHFFFAOYSA-N 209.337 2.572 0 40 BFAB Cc1cc2c(cc(C(=O)O)n2CC2CC2)o1 96516215 SZFPCNVSLWNCFP-UHFFFAOYSA-N 219.240 2.651 0 40 BFAB CC1CC(C(=O)N2CCCCCCC2)C1 104238889 SPPYDVSJMRUHSM-UHFFFAOYSA-N 209.333 2.825 0 40 BFAB C[C@H]1C[C@H](C(=O)O)C[C@@H](C)N1Cc1ccccc1 250916322 XQLOXEGMRWFFRY-DABQJJPHSA-N 247.338 2.760 0 40 BFAB O=C(N[C@@H]1CCC[C@H]1F)c1cc2ccccc2[nH]1 585385594 DDACJGBFAXXTGE-ZYHUDNBSSA-N 246.285 2.788 0 40 BFAB C[C@H]1CO[C@@H](C[C@H](C)c2ccccc2)O1 280950 JVVKHPVHCMSPGX-GMXVVIOVSA-N 206.285 2.942 0 40 BFAB CC(C)NC(=O)c1cc(-c2ccc(F)cc2)on1 423582 FXGMEEKDCODOTD-UHFFFAOYSA-N 248.257 2.619 0 40 BFAB N[C@@H](C[C@H](O)c1ccccc1)c1ccccc1 1723150 HQFWJAGMDNUMAK-GJZGRUSLSA-N 227.307 2.810 0 40 BFAB c1ccc(Nc2nnnn2C2CCCCC2)cc1 1742169 MGWSFNPAEUNMKM-UHFFFAOYSA-N 243.314 2.922 0 40 BFAB COc1ccccc1COC(=O)C1CCC1 3258446 CTGUHVUTMUVGCB-UHFFFAOYSA-N 220.268 2.539 0 40 BFAB C[C@H](O)COc1ccc2ccccc2c1 4071886 MRFTYQFLBDSZHG-JTQLQIEISA-N 202.253 2.599 0 40 BFAB c1cnc2c(OC[C@@H]3CCCNC3)cccc2c1 14631316 OEOQMFJYEFHQAP-GFCCVEGCSA-N 242.322 2.613 0 40 BFAB CCc1c([C@@H](C)NN)oc2ccccc12 19386958 YTBQUMILRMKOTL-MRVPVSSYSA-N 204.273 2.520 0 40 BFAB Cc1cccc(OC[C@@H]2CCCNC2)c1C 19485239 YTFLZFXYIXISSN-CYBMUJFWSA-N 219.328 2.682 0 40 BFAB COc1ccc2c(c1)[C@@H](c1ccccc1)NCC2 19625791 FQPVFLMTXSRULW-MRXNPFEDSA-N 239.318 2.930 0 40 BFAB Cc1cccc(C(=O)Nc2ccccc2N)c1 20343127 IHQDWIDSWQKEKQ-UHFFFAOYSA-N 226.279 2.830 0 40 BFAB COc1nccnc1-c1cnc2ccccc2c1 20500307 RCANWNAELBYFIF-UHFFFAOYSA-N 237.262 2.700 0 40 BFAB Nc1nc2ccccc2n1C1CCCC1 20586096 UTVDWVRXWFQCQJ-UHFFFAOYSA-N 201.273 2.734 0 40 BFAB in-vitro Cc1nc(-c2ccccc2)c(C(=O)N(C)C)s1 28619470 MZQAYZKMDZHJBT-UHFFFAOYSA-N 246.335 2.820 0 40 BFAB COc1ccc([C@H](C)NC2CC2)c(F)c1 37183796 PBYQLTUZWIOPJD-QMMMGPOBSA-N 209.264 2.647 0 40 BFAB COc1ccc2ccc(OC)c(C(=O)O)c2c1 39189404 QQYIGPUPTNLBDQ-UHFFFAOYSA-N 232.235 2.555 0 40 BFAB CC[C@H](C)NC(=O)c1cc2cccc(OC)c2o1 39975867 AUTGCMSKZZKOHB-VIFPVBQESA-N 247.294 2.970 0 40 BFAB CC(C)n1nc(-c2ccccc2)cc1N 40926691 BCLGGAULDBHZDU-UHFFFAOYSA-N 201.273 2.713 0 40 BFAB CC(=O)Nc1csc2nc(C)cc(C)c12 41531458 IAWJKHBPNIFCCN-UHFFFAOYSA-N 220.297 2.872 0 40 BFAB CCN(CC[C@H]1CCCNC1)Cc1ccccc1 42783386 QOVCYXIIAJNORN-OAHLLOKOSA-N 246.398 2.898 0 40 BFAB NCc1ccc(F)cc1-c1ccccc1 47207764 YRGMOGJZQSBAOL-UHFFFAOYSA-N 201.244 2.951 0 40 BFAB CC[C@@H](C)[C@@H](C)NC(=O)c1cccc(OC)c1 48309518 VIGYEJISJWFCLU-GHMZBOCLSA-N 235.327 2.860 0 40 BFAB Cc1ccc(CNC(=O)c2ccoc2)s1 48345695 RDUDJGNDFVEGBP-UHFFFAOYSA-N 221.281 2.580 0 40 BFAB CC(C)CC[C@H](C)N[C@H]1CCCC[C@@H]1O 51769788 DKWSQAFXFIHXSZ-AVGNSLFASA-N 213.365 2.704 0 40 BFAB COc1cccc(C(=O)CCSC)c1 69984337 WPCJVHDAYPYJDP-UHFFFAOYSA-N 210.298 2.631 0 40 BFAB c1ccc(N[C@@H]2CCN(c3ccccn3)C2)cc1 71899573 CBRUBVMDRAGESN-CQSZACIVSA-N 239.322 2.772 0 40 BFAB CNc1ncc([C@@H]2CCCCN2C(C)=O)cc1C 72219014 SPKAHSAUZYGOCJ-ZDUSSCGKSA-N 247.342 2.505 0 40 BFAB CCCN(CCC)c1ccc([C@@H](C)O)cn1 72225277 IJKKLVPVBUAUHX-LLVKDONJSA-N 222.332 2.761 0 40 BFAB Cc1cc(Br)cc2[nH]c(=O)sc12 73638415 CWQORPJJUQWLKT-UHFFFAOYSA-N 244.113 2.661 0 40 BFAB C/C=C/C=C/C(=O)N1CCC[C@@H]1c1cccn1C 79355389 SCIQQHYMHQQSET-HXWHAGAYSA-N 244.338 2.821 0 40 BFAB CC(C)(C)C(=O)Nc1ccc2nc(N)sc2c1 82312282 VPUCJTAZPZCKBI-UHFFFAOYSA-N 249.339 2.863 0 40 BFAB CCc1nn(Cc2ccccc2)c(CC)c1CN 92319630 DEDWTQBSYZJCEH-UHFFFAOYSA-N 243.354 2.515 0 40 BFAB CS[C@@H]1CCCC[C@H]1NC1CC=CC1 95423766 ZDGZZNRXKRGJDS-VXGBXAGGSA-N 211.374 2.969 0 40 BFAB COC(=O)C[C@@H](C)CC(=O)c1cccc(C)c1 95728820 SODPTMWJMNMCHW-NSHDSACASA-N 234.295 2.767 0 40 BFAB CCn1cnc2nc(C3CCC3)nc(Cl)c21 96529513 WSWPFYGMIJBPGJ-UHFFFAOYSA-N 236.706 2.767 0 40 BFAB COCC(=O)N1CCC[C@H]1c1cccc(C)c1C 98013238 YYWZISZQUCCMCF-AWEZNQCLSA-N 247.338 2.613 0 40 BFAB O=C(Cc1cccs1)N[C@@H]1C[C@@H]2CC[C@@H]1C2 101682489 ZBVDVQBTTJYKPL-CKYFFXLPSA-N 235.352 2.595 0 40 BFAB COc1ccc(OCCCn2cc(C)cn2)cc1 187154633 VRVKPGXZIGOESQ-UHFFFAOYSA-N 246.310 2.669 0 40 BFAB Cc1nc(C(C)C)ncc1C(=O)NC1CCCC1 222568871 VWZIVTCSQAGBPW-UHFFFAOYSA-N 247.342 2.581 0 40 BFAB O=C(NCCCc1ccco1)C1CCCC1 222720807 LDDYTVMWZQWKQB-UHFFFAOYSA-N 221.300 2.519 0 40 BFAB CCCCC1=NN[C@@H]2CC(C)(C)CC(=O)[C@H]12 228922478 GHKFVHGKBZXDRX-ZYHUDNBSSA-N 222.332 2.510 0 40 BFAB Cc1csc2c(C(=O)O)cnc(Cl)c12 238554159 JFGVSWMTZKHLNS-UHFFFAOYSA-N 227.672 2.956 0 40 BFAB CCOC(=O)c1ccc(C(=O)C(C)(C)C)o1 261191982 ONMBCSYSLCUYAH-UHFFFAOYSA-N 224.256 2.685 0 40 BFAB Fc1ccc([C@@H]2C[C@H]3CCNC[C@H]32)cc1 1536219977 ZNFZQRFZNRDSLM-KGYLQXTDSA-N 205.276 2.539 0 40 BFAB c1ccc(CNCc2ccc3c(c2)OCO3)cc1 250766 PUBLVNIUFCOQFU-UHFFFAOYSA-N 241.290 2.705 0 40 BFAB C[C@@H]1C[C@H](OC(=O)c2ccccc2)CCC1=O 1704112 MFLPVUSCYWWBBD-ZYHUDNBSSA-N 232.279 2.601 0 40 BFAB CCOC(=O)[C@@H](CC1CCCCC1)C(C)=O 2045741 BHRDSMFTTKGJGW-LBPRGKRZSA-N 226.316 2.725 0 40 BFAB Cc1n[nH]c(C)c1CCOc1ccccc1 2565549 AZXYFDHESWKTIW-UHFFFAOYSA-N 216.284 2.648 0 40 BFAB Cc1ccc(C(=O)CN2CCC[C@@H](C)C2)cc1 3306562 CRZXEJPVYAEWNZ-CYBMUJFWSA-N 231.339 2.910 0 40 BFAB Cc1ccsc1/C=C1\SC(=O)N(C)C1=O 4170909 AHICOTFNDOKNJR-YVMONPNESA-N 239.321 2.723 0 40 BFAB CC(=O)c1cc2cc(C(C)=O)c(O)cc2o1 5167562 FOXRXAILTBHLQA-UHFFFAOYSA-N 218.208 2.544 0 40 BFAB biogenic COC(=O)[C@@H](C/C=C(\C)c1ccccc1)C(C)=O 5810055 MNJUDMANVVMTDA-MARXPDLDSA-N 246.306 2.858 0 40 BFAB COc1ccc2c(c1)CCN[C@H]2c1ccccc1 11598254 XGLBDOMSNOULHH-INIZCTEOSA-N 239.318 2.930 0 40 BFAB CC(C)c1cccc(O[C@@H]2CCNC2)c1 14632192 LRMYVDREWOKEKH-CYBMUJFWSA-N 205.301 2.551 0 40 BFAB in-vitro Cc1cc(C)c2c(c1)C(=O)C(=O)N2CCC(C)C 17010386 LWKKIIACFFPZII-UHFFFAOYSA-N 245.322 2.879 0 40 BFAB C[C@@H](NCc1cnn(C)c1)c1ccccc1Cl 20124118 WWBHWZXSDXQJTC-SNVBAGLBSA-N 249.745 2.924 0 40 BFAB CCOC(=O)/C=C/c1ccnc2ccccc12 22014978 RHFRZAJHLZYXMF-BQYQJAHWSA-N 227.263 2.811 0 40 BFAB OCc1cc(-c2cc3ccccc3o2)on1 26421029 JSULBSNOBUKNND-UHFFFAOYSA-N 215.208 2.580 0 40 BFAB Oc1ccc(C2N=NC(=S)N=N2)cc1 27027754 WEEHUUCOUXJJRG-UHFFFAOYSA-N 206.230 2.594 0 40 BFAB O=C1CCCC[C@@H]1[C@H](O)c1ccc(F)cc1 28294563 DGXAHHNBPVFSJS-WCQYABFASA-N 222.259 2.618 0 40 BFAB CC(C)(C)OC(=O)N1CCc2ccoc2C1 34546503 AAPUUGDFHOCKDP-UHFFFAOYSA-N 223.272 2.573 0 40 BFAB COc1cc(OC)c2c(C)c(C(C)=O)oc2c1 36204658 UGRNLILBIAMMGI-UHFFFAOYSA-N 234.251 2.961 0 40 BFAB CCc1cc(Cl)ccc1OC[C@H]1CCNC1 42770973 YPXLXWOUSWBHHT-JTQLQIEISA-N 239.746 2.891 0 40 BFAB CCN(C(=O)[C@H](C)N1CCCC1)c1ccccc1 52858174 CBGHAOYZENNQBJ-ZDUSSCGKSA-N 246.354 2.524 0 40 BFAB CCNC[C@@H]1CCCCN1Cc1ccccc1 53650736 CQVVRSPUGIPISN-HNNXBMFYSA-N 232.371 2.651 0 40 BFAB CN(Cn1cc(Cl)cn1)C(C1CC1)C1CC1 66078744 CCUZWNLZWMEQJU-UHFFFAOYSA-N 239.750 2.614 0 40 BFAB CC(C)Oc1ccccc1NC(=O)C1CC1 70255228 OEGOADAMADJFIL-UHFFFAOYSA-N 219.284 2.822 0 40 BFAB O=C(O)C[C@H](Nc1ccccn1)c1ccccc1 70641672 BMERVCBNHVDTAS-LBPRGKRZSA-N 242.278 2.710 0 40 BFAB in-vitro CCn1c(C(=O)O)cc2c(C)cccc21 71976855 MHJADBJNRMTDHI-UHFFFAOYSA-N 203.241 2.668 0 40 BFAB CC(C)N(C[C@H]1C[C@H]1C)C(=O)Nc1cccnc1 72304746 XTCZSNUMKVPPMI-VXGBXAGGSA-N 247.342 2.980 0 40 BFAB Cc1ccc(CN(C)c2nc(C3CC3)ns2)o1 89656003 HGFLMTQTOXBBER-UHFFFAOYSA-N 249.339 2.953 0 40 BFAB CCC[C@H]1CN(C(=O)OC(C)(C)C)CCC1=O 90423999 NKFIUBSEBGYGEF-JTQLQIEISA-N 241.331 2.613 0 40 BFAB CC1(C)OCCO/C1=C\c1ccccc1 95611840 RVCWPKNRRAZCJJ-BENRWUELSA-N 204.269 2.853 0 40 BFAB c1ccc(CN[C@H]2C[C@@H]3CC[C@@H]2C3)cc1 100046896 DOMDOUHZPYAOCT-MCIONIFRSA-N 201.313 2.965 0 40 BFAB CCSC1=NN/C(=C2\C=Nc3ccccc32)O1 105819517 GDXLBWJSLGAOBF-LUAWRHEFSA-N 245.307 2.715 0 40 BFAB Nc1cc(-c2ccc(OC(F)(F)F)cc2)no1 131289389 ZKJFIOSDJHQVQR-UHFFFAOYSA-N 244.172 2.822 0 40 BFAB CCCC[C@@H](CN)c1ccc(OC)c(OC)c1 212514970 GXNZEHKRZYRKSA-LBPRGKRZSA-N 237.343 2.936 0 40 BFAB CC[C@@H](C)c1ncc(/C=C/C(=O)O)s1 218315322 RALMKDNDBPFXPW-SMMXGFFBSA-N 211.286 2.754 0 40 BFAB CCOc1nc2cc(C)ccc2cc1C=O 224967589 VBTKPBVVGLLBST-UHFFFAOYSA-N 215.252 2.754 0 40 BFAB CCOc1c(Cl)cc(OC)cc1C=O 225272793 YPJAIZAWZMIRLM-UHFFFAOYSA-N 214.648 2.560 0 40 BFAB Cc1nsc(OC2CCC(F)(F)CC2)n1 585651779 HHUBEKMWVFRCKU-UHFFFAOYSA-N 234.271 2.803 0 40 BFAB Cc1ccc(NC(=O)[C@H]2CC2(C)C)cc1 3263 DHKDXOPXQOLGJT-LLVKDONJSA-N 203.285 2.980 0 40 BFAB O=C(O)CCOc1cc(Cl)ccc1Cl 334862 IOPJZIQVDBFLAJ-UHFFFAOYSA-N 235.066 2.847 0 40 BFAB CCCCOc1ccc(CC(C)=O)cc1 1848530 ORJFXEFWTVQBBV-UHFFFAOYSA-N 206.285 2.997 0 40 BFAB Cc1ccc(C(=O)Nc2ccccc2)o1 3115927 FXYWRZAQXKOTLA-UHFFFAOYSA-N 201.225 2.840 0 40 BFAB CC1(C)[C@@H](O)CC[C@H]1c1ccc(O)cc1 3850124 POHOJJVYKRHKRZ-RYUDHWBXSA-N 206.285 2.657 0 40 BFAB biogenic CCCNC(=O)c1cccc2ccccc12 4144690 CRXGWGIJJCBJLW-UHFFFAOYSA-N 213.280 2.980 0 40 BFAB CO[C@H]1Nc2ccccc2-c2ccccc2C1=O 4983938 BPUNLJRFFKFBHQ-OAHLLOKOSA-N 239.274 2.934 0 40 BFAB CCOc1ccc2c(c1)[nH]c(=S)n2C 5686513 SZEWQQWMTCUMEJ-UHFFFAOYSA-N 208.286 2.635 0 40 BFAB Cc1cccc(NC(=S)NC(C)C)c1C 6422386 HMRJYKRRSQWIFF-UHFFFAOYSA-N 222.357 2.998 0 40 BFAB CCCSc1ncn(-c2ccccc2)n1 6944590 NQTQVWRAMGHMDH-UHFFFAOYSA-N 219.313 2.769 0 40 BFAB C[C@@H]1CCCC[C@H]1Nc1cccc(C(N)=O)c1 20124823 YGGLFJUQOBHHRE-ZWNOBZJWSA-N 232.327 2.776 0 40 BFAB Cc1c(Cl)c(Cl)cc(N)c1N(C)C 22121906 NPERVICXRISFER-UHFFFAOYSA-N 219.115 2.950 0 40 BFAB CCc1ccc([C@@H](CO)N2CCCCC2)cc1 41261272 GQSVNHYFVLUXMC-OAHLLOKOSA-N 233.355 2.768 0 40 BFAB CCC(=O)NCCc1ccc(C(F)(F)F)cc1 44866057 UVEVVQZPQZKISQ-UHFFFAOYSA-N 245.244 2.774 0 40 BFAB Cc1ccc(F)c(-c2noc(N)c2C)c1 52984172 KNAHGVURIWXUJW-UHFFFAOYSA-N 206.220 2.680 0 40 BFAB in-vitro CCC(C)(CC)NC(=O)c1ccc2c(c1)OCO2 84721156 SLQBBDZMNKOSSQ-UHFFFAOYSA-N 249.310 2.724 0 40 BFAB Nc1cc(Cl)nc(OCc2ccccc2)c1 91362239 GWLHXBPKAJWYIY-UHFFFAOYSA-N 234.686 2.896 0 40 BFAB O=c1cc(O)[nH]c2c(Cl)c(Cl)ccc12 95098196 HMMXGPYSWYXNNQ-UHFFFAOYSA-N 230.050 2.541 0 40 BFAB COCCCCCN[C@@H]1CCCC1(C)C 95421302 AGIGWBMSDIIWGC-GFCCVEGCSA-N 213.365 2.971 0 40 BFAB CCc1ccc(CNCCCn2cccn2)cc1 97254232 MNRVCBSYCIYAFB-UHFFFAOYSA-N 243.354 2.625 0 40 BFAB CC(C)C[C@H](CO)N[C@H]1CCC[C@H](C)C1 101616200 ZPRLWIPTHYOSSQ-RWMBFGLXSA-N 213.365 2.562 0 40 BFAB CC(C)(C)NC(=S)Nc1cccnc1Cl 144997434 YTERPYUCPWXNQG-UHFFFAOYSA-N 243.763 2.820 0 40 BFAB COC(=O)c1cccn1-c1cccc(Cl)c1 223727081 ARLHQXOMIPRFOL-UHFFFAOYSA-N 235.670 2.917 0 40 BFAB CC(C)CC[C@H]1CNCC2(CCCC2)O1 242495721 GNVYLRAJQJKVQI-LBPRGKRZSA-N 211.349 2.724 0 40 BFAB CNC(=O)c1ccc(-c2ccc(F)cc2)nc1C 257173124 DGONGCIWCDROBC-UHFFFAOYSA-N 244.269 2.556 0 40 BFAB CCN(c1ccc(Cl)cc1)[C@H](C)C(=O)O 260677492 GSTWMHSTSFNZHO-MRVPVSSYSA-N 227.691 2.639 0 40 BFAB O=C(O)C12CC(c3nccc4ccccc34)(C1)C2 575624116 HXOPZFCEXMASPL-UHFFFAOYSA-N 239.274 2.741 0 40 BFAB FC[C@@H]1CCN(c2cc(C3CCC3)ncn2)C1 2086910658 KQPJGPDWYOCRJF-JTQLQIEISA-N 235.306 2.540 0 40 BFAB O=C(O)c1ccccc1-n1cnc2ccccc21 86654 SSXQFHWSILYDFN-UHFFFAOYSA-N 238.246 2.724 0 40 BFAB Cc1ccc(O[C@@H](C)C(=O)NCC(C)C)c(C)c1 364894 BORGFOGOECXLCD-ZDUSSCGKSA-N 249.354 2.843 0 40 BFAB CC(C)(C)NC(=O)Nc1ccc2nccnc2c1 1188386 LTTKIGSXIAQOSY-UHFFFAOYSA-N 244.298 2.550 0 40 BFAB in-vitro O=C(O)[C@H]1CC=CC[C@H]1c1ccccc1 1702311 KVZGDUKDAJKXOF-RYUDHWBXSA-N 202.253 2.821 0 40 BFAB O=C1Nc2cccnc2Sc2ccccc21 4035373 FTMBGAIUQQPJDQ-UHFFFAOYSA-N 228.276 2.799 0 40 BFAB O=C(O)[C@@H](c1ccccc1)[C@@H](O)[C@H]1CC=CCC1 4683099 UUEPQVJAAMNTBT-IHRRRGAJSA-N 246.306 2.572 0 40 BFAB OCCN(C1CCCCC1)C1CCCCC1 5188723 LLTGNYZQUXACFO-UHFFFAOYSA-N 225.376 2.946 0 40 BFAB CC1=NN(c2nc(-c3ccccc3)no2)[C@H](C)C1 5515751 RGKMHJFJDUEWMJ-SNVBAGLBSA-N 242.282 2.711 0 40 BFAB Cc1cc2oc(=O)[nH]c(=S)c2c(C)c1C 6484818 SBRKWOZHWZAQRS-UHFFFAOYSA-N 221.281 2.776 0 40 BFAB C[C@@H]1CCCN(c2ccc(C=O)cc2)C1 6678391 QUJFTCQOSCFPEH-LLVKDONJSA-N 203.285 2.735 0 40 BFAB CNc1ccccc1C(=O)Nc1ncc(C)s1 6756177 XMVSKCCUPJYACO-UHFFFAOYSA-N 247.323 2.746 0 40 BFAB Cc1ccc(F)c(NC(=O)c2ccco2)c1 9836470 SREBDKUWXKJGHE-UHFFFAOYSA-N 219.215 2.979 0 40 BFAB Nc1cnc2c(-c3ccc(Cl)cc3)cnn2c1 12396089 DOVWLZTXIAQREG-UHFFFAOYSA-N 244.685 2.632 0 40 BFAB CCCC(=O)Nc1ccc2c(c1)OCCCO2 12982563 RIGXEWXREDYWSN-UHFFFAOYSA-N 235.283 2.587 0 40 BFAB Cc1c(C=O)c2ccccc2n1CCCC(=O)O 13608970 IQCQWCVKKAGOTN-UHFFFAOYSA-N 245.278 2.627 0 40 BFAB CC(C)c1ccccc1O[C@H]1CCNC1 14632128 YAUZIQZVHKXXOK-NSHDSACASA-N 205.301 2.551 0 40 BFAB in-vitro Cc1ccc(C2=N[C@H]3C=NN=C3S2)cc1Cl 17957949 CXVHPFMXISYYTG-VIFPVBQESA-N 249.726 2.908 0 40 BFAB CCCCOc1ccc([C@@H](C)N)cc1OC 19261770 UOJAGGXLDNPFLV-SNVBAGLBSA-N 223.316 2.894 0 40 BFAB in-vitro CCN(CCCC(=O)O)c1ccccc1C 20433383 NJDNRLCXYUCCNM-UHFFFAOYSA-N 221.300 2.686 0 40 BFAB c1cc(-c2nnc(-c3ccsc3)o2)ccn1 20729715 XUCKNCDIIAOAAD-UHFFFAOYSA-N 229.264 2.860 0 40 BFAB CC(C)(C)[C@H](O)/C=C\c1ccc2c(c1)OCO2 22066531 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72223001 FIAOCVPVCPBGMA-UHFFFAOYSA-N 206.289 2.803 0 40 BFAB Cc1nc(N2CCCCCC2)ccc1[C@@H](C)O 72224571 WQHMJWWHMPXONV-GFCCVEGCSA-N 234.343 2.824 0 40 BFAB Brc1ccsc1-c1nnco1 72266202 HINIUHQAZXOEKA-UHFFFAOYSA-N 231.074 2.561 0 40 BFAB COc1cc(C)cc(CNCc2ccccn2)c1 95434170 DGQLKMPISWKYGV-UHFFFAOYSA-N 242.322 2.688 0 40 BFAB CCOC(=O)CCCCOc1ccc(F)cc1 95733802 LFAAYTAMNMTHDL-UHFFFAOYSA-N 240.274 2.938 0 40 BFAB O=C(c1nccs1)c1cccc(F)c1F 95739881 ZAIQZPHBPNJOKQ-UHFFFAOYSA-N 225.219 2.652 0 40 BFAB CC/C=C(\C)C(=O)NCc1cc(F)cc(F)c1 96256102 NLJDCBFMXMXDEP-RUDMXATFSA-N 239.265 2.937 0 40 BFAB C[C@H](c1ccccc1)n1ccc(CO)c1 223722086 RVWKXRCIGBMUQP-LLVKDONJSA-N 201.269 2.590 0 40 BFAB O=C(Cc1ccc(F)cc1)NCC1=CCCCC1 225098737 LEUPWDWTBDKADW-UHFFFAOYSA-N 247.313 2.985 0 40 BFAB COc1ccc(C2=NC(C)(C)CO2)cc1C 1589118 LSXONNKGJSUSDX-UHFFFAOYSA-N 219.284 2.559 0 40 BFAB CC(=O)c1ccc2cc3c(cc2c1)OCO3 1720382 IQAYPARGTDNEIB-UHFFFAOYSA-N 214.220 2.771 0 40 BFAB CC1(C)CC(=O)NC=C(c2ccccc2)C1 3238008 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CCSc1ccc(C(=O)COC(C)=O)cc1 382709899 XCCXTDZMQCHGML-UHFFFAOYSA-N 238.308 2.544 0 40 BFAB C[C@H](Oc1cc2c(nn1)CCCC2)C1CC1 585652577 PLQHEXXEKWCGSZ-VIFPVBQESA-N 218.300 2.533 0 40 BFAB CCc1c(C2CC2)[nH]c2cccc(O)c2c1=O 685938378 KOOBYYNMRIXSKR-UHFFFAOYSA-N 229.279 2.674 0 40 BFAB C[C@H]1CCC[C@H](C)N1C(=O)c1cccc(N)c1 129489 AUTUHEFLBFXENV-QWRGUYRKSA-N 232.327 2.672 0 40 BFAB CCCCCCc1ccc(C(=O)O)nc1 3065716 LRVWMFHQTPNPJY-UHFFFAOYSA-N 207.273 2.903 0 40 BFAB biogenic c1cc2c(cc1[C@H]1NCCCCCCO1)OCO2 4015391 KQMXLNYUWGXZHC-AWEZNQCLSA-N 249.310 2.594 0 40 BFAB Cc1cc(CSc2ccccc2C(=O)O)on1 4218849 VZXNHHOHGFNDHL-UHFFFAOYSA-N 249.291 2.974 0 40 BFAB COc1cc2c(cc1OC(C)=O)CCCCC2=O 4991541 GFXQFPHYNKBODT-UHFFFAOYSA-N 248.278 2.530 0 40 BFAB Nc1ccccc1C(=O)OCc1cccc(F)c1 6045420 DVZASKLSCPUBNV-UHFFFAOYSA-N 245.253 2.765 0 40 BFAB CCCCCc1c(O)c2ccccc2[nH]c1=O 8586204 MENXPFSNCCRVOS-UHFFFAOYSA-N 231.295 2.966 0 40 BFAB COc1ccc(OC)c(C(=O)C(C)C)c1 11631535 XUAJROAIHNSLOO-UHFFFAOYSA-N 208.257 2.543 0 40 BFAB O=C(O)CCOc1ccc2ccccc2c1 11800270 DHSIEHJZSPBHQA-UHFFFAOYSA-N 216.236 2.693 0 40 BFAB in-vitro OCC12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2 12339613 JZJOEXRURZNLIA-IXBNRNDTSA-N 245.160 2.713 0 40 BFAB COc1ccc2c(C)cc(NC(C)=O)nc2c1 13476008 SSGUHMFJZLLDQW-UHFFFAOYSA-N 230.267 2.510 0 40 BFAB O=C(NC1CCCC1)c1cc2cc(F)ccc2[nH]1 13957079 BWJNIRPVLDOTAO-UHFFFAOYSA-N 246.285 2.979 0 40 BFAB C[C@H]1C[C@@H](C)CN(C(=O)Cc2cccs2)C1 16972157 BZZMDFFKTWQPAE-PHIMTYICSA-N 237.368 2.795 0 40 BFAB Nc1ccccc1CCc1nc2ccccc2[nH]1 20980499 FWEZTFXDAVPZNY-UHFFFAOYSA-N 237.306 2.930 0 40 BFAB COc1cccc(C(O)c2cccc(OC)c2)c1 37532133 JKFZTBFWANEMEI-UHFFFAOYSA-N 244.290 2.786 0 40 BFAB C[C@@H](NN)c1cc(F)c(Cl)cc1Cl 37735088 ZEJXQFNYNNFHSR-SCSAIBSYSA-N 223.078 2.657 0 40 BFAB COc1cccc(CNc2ccc(Cl)nn2)c1 37977869 MSGHGRCTYKVJHZ-UHFFFAOYSA-N 249.701 2.751 0 40 BFAB O=C(C[C@@H]1C=CCC1)NCc1ccccc1F 39978464 BGNDYMOHHFIBBM-LLVKDONJSA-N 233.286 2.798 0 40 BFAB C[C@@H]1C[C@H](Sc2ncccc2Cl)C(=O)O1 40493673 PXAPMOVMHCGKJK-SVRRBLITSA-N 243.715 2.531 0 40 BFAB CCCC(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1 41421362 GKLSZOUTWOXCQU-GXTWGEPZSA-N 247.338 2.775 0 40 BFAB CCC[C@@H](C(=O)NCCCOC)c1ccccc1 47465895 FOIOHBVEOJBSAF-CQSZACIVSA-N 249.354 2.723 0 40 BFAB CCN(Cc1nnc(C)o1)Cc1ccccc1C 48059339 KABMOQIBVKVLQE-UHFFFAOYSA-N 245.326 2.709 0 40 BFAB COC(=O)c1c(OC)cc(C)c(Cl)c1C 57339655 DTAMCDBIOGYHCW-UHFFFAOYSA-N 228.675 2.752 0 40 BFAB CO[C@H](C)CC(=O)N[C@@H](c1ccccc1)C(C)C 58268321 BTSOEYUCMSYGQL-IUODEOHRSA-N 249.354 2.925 0 40 BFAB O[C@H]1CCCOc2c(Br)cccc21 62620982 KNGPVHHOPCBJRP-VIFPVBQESA-N 243.100 2.655 0 40 BFAB O=C(O)C1=CC[C@H](c2ccccc2)CC1 71508379 YRZUQRSZZQQEBL-NSHDSACASA-N 202.253 2.965 0 40 BFAB Cc1cc([C@H]2CCCN2CC(C)C)cnc1N 72218444 RKBMEDMCIUGQFQ-CYBMUJFWSA-N 233.359 2.765 0 40 BFAB C[C@H](NCc1ccccc1)O[C@H]1CCCCO1 75629617 UBAVGIJCQUFVAA-OCCSQVGLSA-N 235.327 2.665 0 40 BFAB O=C1CCOc2c(Br)ccc(F)c21 75882194 WCAVCPZMIKUNBV-UHFFFAOYSA-N 245.047 2.553 0 40 BFAB CCc1ccc2[nH]c(C(=O)O)c(C)c2c1 82592538 BXAQLLMOSHMXCP-UHFFFAOYSA-N 203.241 2.737 0 40 BFAB OCc1nc2ccc(-c3ccccc3)cc2[nH]1 85399011 AJNSWPFJSNGMSG-UHFFFAOYSA-N 224.263 2.722 0 40 BFAB OCCCN[C@H]1CCCSc2ccccc21 89857776 OBWJKOSBYVXKFS-LBPRGKRZSA-N 237.368 2.586 0 40 BFAB C[C@@H]1CCC[C@H](CSc2nncn2C)C1 92199096 JVCPIIVYJIBDRV-ZJUUUORDSA-N 225.361 2.734 0 40 BFAB COc1ccc2c(c1)[C@](O)(C(F)(F)F)CCC2 92387569 QDSQMQDYARHYSX-NSHDSACASA-N 246.228 2.781 0 40 BFAB C[C@@H](Cc1ccc(O)cc1)NC(=O)CC(C)(C)C 95427627 UBIGPAYCQXHSJB-NSHDSACASA-N 249.354 2.876 0 40 BFAB CSCCOC(=O)c1cnc(C2CC2)s1 96443008 VKQRELNRYJKAHF-UHFFFAOYSA-N 243.353 2.540 0 40 BFAB O=C(CC(=O)c1cccnc1)c1ccccc1 100077468 FOMJZUPHLPTMFP-UHFFFAOYSA-N 225.247 2.537 0 40 BFAB Cc1cccc(NCc2nccn2CC(C)C)n1 157703201 POTYSGRSHDKQMD-UHFFFAOYSA-N 244.342 2.855 0 40 BFAB CCOC(=O)C1(c2cccc(OCC)c2)CC1 257817930 ACZHHIKQIQESTA-UHFFFAOYSA-N 234.295 2.680 0 40 BFAB CC1=C(C)CN(Cc2nccn2C(F)F)CC1 280805765 ITPDKNXFESQYCE-UHFFFAOYSA-N 241.285 2.820 0 40 BFAB O=C(CC1CC(F)(F)C1)N[C@@H]1CC=CCC1 336209091 KGBZKEYZXFQTDR-SNVBAGLBSA-N 229.270 2.647 0 40 BFAB FC(F)c1c(Cl)nc2ccccn12 575629411 WFJZZDJYQNXHJZ-UHFFFAOYSA-N 202.591 2.925 0 40 BFAB CC(O)(C(F)(Cl)Cl)C(F)(Cl)Cl 1675521 VFJHVGXODBGKGE-UHFFFAOYSA-N 247.883 2.939 0 40 BFAB O=C(O)CC(=O)c1ccc(Cl)c(Cl)c1 1715283 NSODXEAOUDYGIL-UHFFFAOYSA-N 233.050 2.651 0 40 BFAB CN(C(=O)c1ccccc1)C(=O)c1ccccc1 1723205 ALISWIYMUVXSIG-UHFFFAOYSA-N 239.274 2.599 0 40 BFAB CCOC(=O)[C@H]1OC12CCC(C(C)(C)C)CC2 1734104 ZUBUPLFQSZUSEN-IQLKVPPVSA-N 240.343 2.923 0 40 BFAB CCOCC(=O)Nc1c(C)cccc1CC 2735107 HCHCXKREIBORAC-UHFFFAOYSA-N 221.300 2.532 0 40 BFAB CCc1ccc(OC(=O)c2ccn(CC)n2)cc1 2768958 GIRBITWNUIONTP-UHFFFAOYSA-N 244.294 2.685 0 40 BFAB CC[C@@H](C)[C@@H](O)[C@H](C(=O)O)C1CCCCC1 4683095 RAYWBDQWWXCHQV-YUSALJHKSA-N 228.332 2.675 0 40 BFAB CCCC[C@@H](C)NC(=O)c1ccccc1 5553404 HGUYINNJYBDCRZ-LLVKDONJSA-N 205.301 2.995 0 40 BFAB Nc1ccc(/C=C(\C(=O)O)c2ccccc2)cc1 12375720 JUNKSIZZYOCSGW-UVTDQMKNSA-N 239.274 2.894 0 40 BFAB c1ccc2c(c1)nc1nc3c(cn12)CCCC3 13218851 FXDBMZOZZXUUTJ-UHFFFAOYSA-N 223.279 2.761 0 40 BFAB CCN(CC)CCCNCc1ccccc1 13734076 GPMZDTWIXKJVIB-UHFFFAOYSA-N 220.360 2.508 0 40 BFAB Cc1c(N)cccc1C(=O)NCc1ccccc1 19266986 NJDHYBOHFHLNBN-UHFFFAOYSA-N 240.306 2.507 0 40 BFAB c1csc([C@@H]2NCCc3ccccc32)c1 19793819 FHDLSGWIMXIQQV-CYBMUJFWSA-N 215.321 2.983 0 40 BFAB in-vitro COc1ccc(-c2cn3cc(N)ccc3n2)cc1 19953375 NAFZVODTEDRUAK-UHFFFAOYSA-N 239.278 2.592 0 40 BFAB Cc1ccc(C(C)C)c(OCc2nnc(N)o2)c1 26473220 BXCMUKCTDVNQQH-UHFFFAOYSA-N 247.298 2.663 0 40 BFAB CC(C)[C@H](C(N)=O)c1ccc(Cl)cc1 37388138 QZVCKPXVTOPHBV-JTQLQIEISA-N 211.692 2.565 0 40 BFAB CCOC(=O)Cc1c(C)[nH]c2ccc(F)cc12 38212964 QJOJSMQJAHIRLS-UHFFFAOYSA-N 235.258 2.721 0 40 BFAB Cc1nnc(-c2ccc(F)cc2Cl)o1 40350654 IRBRPAZUEMVZEH-UHFFFAOYSA-N 212.611 2.838 0 40 BFAB Nc1cc(C(F)(F)F)nn1-c1ccc(F)cc1 41291940 WBTLTMKEBLEGOU-UHFFFAOYSA-N 245.179 2.612 0 40 BFAB FC(F)(F)c1cccc(OC[C@H]2CCNC2)c1 42772796 ZPIQTWNHZGESPH-VIFPVBQESA-N 245.244 2.694 0 40 BFAB CN[C@@H]1CCCC[C@@H]1N(C)Cc1ccccc1 43816430 QUQVXIHJGYMLCS-CABCVRRESA-N 232.371 2.649 0 40 BFAB Cc1ccc(F)c(NC(=O)c2cccn2C)c1 69008023 TWJAZDPKSAEGGL-UHFFFAOYSA-N 232.258 2.725 0 40 BFAB O=C(O)c1ccc(OCCC(F)(F)F)cc1 70211316 HLQDUHNEEBMGQI-UHFFFAOYSA-N 234.173 2.716 0 40 BFAB c1ccc2nc(N3CCCSCC3)cnc2c1 71816324 VMHSWRRTNVOPSL-UHFFFAOYSA-N 245.351 2.573 0 40 BFAB Cc1nc(Sc2ccccc2)ccc1CN 72224219 IBRVBBXJUZBERI-UHFFFAOYSA-N 230.336 3.000 0 40 BFAB CCOc1ccc(-c2[nH]ncc2C=O)c(C)c1 82168608 RORWUEMJFJHXNL-UHFFFAOYSA-N 230.267 2.596 0 40 BFAB c1ccc2c(c1)C[C@H](c1nc(C3CC3)no1)CO2 84579509 VNGRXGVLRVTPNR-NSHDSACASA-N 242.278 2.666 0 40 BFAB CC[C@@H]1CCCN(C(=O)[C@H]2CCCS2)C1 89948291 JLMMBFMKXYIXQH-GHMZBOCLSA-N 227.373 2.531 0 40 BFAB CCOC(=O)c1cnc2cc(C)ccc2c1 91692632 BIOKKBHSLVUSFB-UHFFFAOYSA-N 215.252 2.720 0 40 BFAB CCOC(=O)c1[nH]ccc1-c1ccc(F)cc1 92721625 FBZGWZQTWCUNMI-UHFFFAOYSA-N 233.242 2.998 0 40 BFAB C[C@@H](c1cccc(F)c1)N1CCn2ccnc2C1 97201310 VMYCNBFGFFEUTF-NSHDSACASA-N 245.301 2.599 0 40 BFAB CC(C)NC(=S)Nc1ccc2ncccc2c1 130559463 GPQUKDDOEMYUDR-UHFFFAOYSA-N 245.351 2.930 0 40 BFAB CCCn1nccc1CNCc1ccc(F)cc1 159967637 UQEIPTOXLKQVNO-UHFFFAOYSA-N 247.317 2.722 0 40 BFAB CCCCCCS[C@H]1CCN(C)C1=O 185624566 BAFFKIKVARWYHG-JTQLQIEISA-N 215.362 2.531 0 40 BFAB Cc1ccc(CNCc2c[nH]nc2C)cc1Cl 193733922 FXCADGCJVFVZBW-UHFFFAOYSA-N 249.745 2.970 0 40 BFAB COC(=O)c1ccc(-c2cccc(CN)c2)cc1 196612728 IWPWNEXLNNLINP-UHFFFAOYSA-N 241.290 2.599 0 40 BFAB COc1ccc(/C=C/C(=O)NCC(C)(C)C)cc1 226092402 DSBTVFZFQCEBIB-JXMROGBWSA-N 247.338 2.871 0 40 BFAB Cc1cc(NC(=O)C(C)C)cc2sc(N)nc12 226308630 XISLHKRPQLPLHQ-UHFFFAOYSA-N 249.339 2.781 0 40 BFAB FC(F)(F)c1c[nH]c2nc(Cl)ncc12 238564259 BLEQVMGQNXNASI-UHFFFAOYSA-N 221.569 2.630 0 40 BFAB COc1ccc2cccc(C3(N)CC3)c2c1 259566930 WBYORRFBRHDSMS-UHFFFAOYSA-N 213.280 2.796 0 40 BFAB COc1cc(F)c(F)cc1C(=O)[C@@H](C)Cl 382696923 LIFBIIOIMWJZLT-RXMQYKEDSA-N 234.629 2.783 0 40 BFAB CCC1(CC)CCCN1C(=O)c1nccs1 874630036 NISFTBJARDCXNX-UHFFFAOYSA-N 238.356 2.938 0 40 BFAB CCCCCOC(=O)Cc1ccccc1 1677806 LRVLBFSVAFUOGO-UHFFFAOYSA-N 206.285 2.963 0 40 BFAB endogenous,in-man CSc1ccccc1NC(=S)NC1CC1 3285669 QCZJTLYTAYPBOF-UHFFFAOYSA-N 238.381 2.857 0 40 BFAB Cc1cc(SC(=N)N)nc2ccccc12 4329550 QQQMSCWKRBYYQQ-UHFFFAOYSA-N 217.297 2.529 0 40 BFAB CC(C)C(=O)Nc1cccc(NC(=O)C(C)C)c1 5841596 BNIQGZSAHKNJIQ-UHFFFAOYSA-N 248.326 2.876 0 40 BFAB Fc1ccc(CNc2cccnc2)cc1 8699351 BDRWECDHPUHVEW-UHFFFAOYSA-N 202.232 2.833 0 40 BFAB CCC[C@@H](C)NC(=O)c1ccc(F)cc1F 12552285 GHWKVAJIQVPPPD-MRVPVSSYSA-N 227.254 2.883 0 40 BFAB COCC(=O)c1ccc(C(F)(F)F)cc1 22012555 WDXVCXWXZAMAKA-UHFFFAOYSA-N 218.174 2.535 0 40 BFAB C[C@H](NCc1ccsc1)[C@@H](O)c1ccccc1 22076633 ATELECFPJVUZCB-SMDDNHRTSA-N 247.363 2.960 0 40 BFAB CCONC(=O)c1ccc(Cl)cc1Cl 24832612 SYWOPYURSMNFDG-UHFFFAOYSA-N 234.082 2.675 0 40 BFAB O=C(c1cc2c(s1)CCCCC2)N1CCC1 32731917 QUDURAZCKOUTOQ-UHFFFAOYSA-N 235.352 2.863 0 40 BFAB COc1c(C)ccc(NC(=O)C2CC2)c1C 32817296 ISULNZPMHGXWCN-UHFFFAOYSA-N 219.284 2.661 0 40 BFAB C[C@@H](Cn1ccnc1)c1ccc(F)cc1 33493774 VLPGQKPLQFOSAY-JTQLQIEISA-N 204.248 2.826 0 40 BFAB O=S(=O)(C1=C[C@H]2C=C[C@@H]1C2)c1ccccc1 34204449 ZEZUTCANYHGFRE-WDEREUQCSA-N 232.304 2.550 0 40 BFAB CC(C)N[C@@H]1CCCN(Cc2ccccc2)C1 36904515 UIHFTSDNSTYZAH-OAHLLOKOSA-N 232.371 2.649 0 40 BFAB Nc1ccccc1COCc1ccccc1N 38342126 SZJBQSXXLJETCD-UHFFFAOYSA-N 228.295 2.568 0 40 BFAB in-vitro Cc1ccccc1-c1ccc(C(=O)O)cn1 39927706 OLZQALHJPYJQFY-UHFFFAOYSA-N 213.236 2.755 0 40 BFAB CC[C@H](C)Cn1c(C=O)nc2ccccc21 41058256 CEZMXOIZWYXPFX-JTQLQIEISA-N 216.284 2.895 0 40 BFAB COC(=O)c1cc(Cl)cc(Cl)c1OC 45920750 WYTVRNKHBROSCB-UHFFFAOYSA-N 235.066 2.789 0 40 BFAB CCOc1ccc(Nc2cc(N)nc(C)n2)cc1 49467304 OJVKOHXFCDWFRV-UHFFFAOYSA-N 244.298 2.510 0 40 BFAB CC(C)[C@H](C)NC(=O)[C@H](C)Oc1ccccc1 57159844 DJEUIBMGUBBVSY-RYUDHWBXSA-N 235.327 2.615 0 40 BFAB CC(=O)[C@H]1C[C@@H](c2ccc(Cl)cc2)OC1=O 57529508 GFSYYCBTKYIXJP-MNOVXSKESA-N 238.670 2.533 0 40 BFAB CCN(CC[C@H](N)C(C)C)Cc1ccccc1 58058234 TVTZHNLICJZNAD-HNNXBMFYSA-N 234.387 2.882 0 40 BFAB CCCCNc1nnc(NCCCC)s1 59916971 VEWFVWBQBFQRPR-UHFFFAOYSA-N 228.365 2.962 0 40 BFAB O=C(Cc1cccc(Cl)c1)Nc1cccnc1 67797067 JXVSAHMJMLDNGG-UHFFFAOYSA-N 246.697 2.916 0 40 BFAB CCOc1ccccc1[C@@H](N)C(F)(F)F 72194808 YYGQYUJRSHAXPA-SECBINFHSA-N 219.206 2.647 0 40 BFAB COc1ccccc1[C@@H]1CCCCN1C 72221474 HTFMLIHDBUGANR-LBPRGKRZSA-N 205.301 2.852 0 40 BFAB N[C@H]1CCCC[C@@H]1NCc1ccccc1Cl 72411130 IBXAZXXRKXCENX-STQMWFEESA-N 238.762 2.700 0 40 BFAB NC1(c2ccc(Br)cc2F)CCC1 75934047 QLIIADQNFDJETP-UHFFFAOYSA-N 244.107 2.926 0 40 BFAB Cc1nc(Cl)cc(NC2CC=CC2)n1 79106735 JXHJUIYOXIJMPC-UHFFFAOYSA-N 209.680 2.569 0 40 BFAB O=C(Nc1ccc(F)c(Cl)c1)c1cnco1 82325051 XATMOOUNIRQEKK-UHFFFAOYSA-N 240.621 2.719 0 40 BFAB O=C(O)c1ccc(Cc2ccc(F)cc2)o1 84012200 GBWBBWOXLGMGDI-UHFFFAOYSA-N 220.199 2.708 0 40 BFAB Cc1nc(C)n(CCCc2ccccc2C)n1 84235710 QJYBHRNDUBNUTC-UHFFFAOYSA-N 229.327 2.836 0 40 BFAB C[C@@H](C(=O)c1ccccc1)C(=O)C(F)(F)F 100229028 MOOYLYCPAWODGB-ZETCQYMHSA-N 230.185 2.637 0 40 BFAB CC[C@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2C 100824645 JQQICFVIEZVXBF-CWRNSKLLSA-N 245.366 2.936 0 40 BFAB CN(C)C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 101232235 OIDHBPAONDJGMN-MFKMUULPSA-N 224.348 2.569 0 40 BFAB Cc1ccc(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)nc1 102584193 PDDLHYIRLMYPHK-SDDRHHMPSA-N 230.311 2.765 0 40 BFAB CCOC(=O)/C(=C\c1ccc(C)cc1)OCC 204221870 MZNFCTCZWITFCT-JLHYYAGUSA-N 234.295 2.936 0 40 BFAB CC(C)NC(=O)c1cc(N)ccc1NC(C)(C)C 225454817 ZMEDTFFWPZOENY-UHFFFAOYSA-N 249.358 2.617 0 40 BFAB CCOC(=N)c1cc(F)ccc1Br 228853748 GYQXSPAECTUWLL-UHFFFAOYSA-N 246.079 2.950 0 40 BFAB Cc1cc(C)nc(N2C[C@H]3CCCC[C@H]3C2)n1 301526583 GGFUKWPKMCZJDY-BETUJISGSA-N 231.343 2.720 0 40 BFAB Cn1cnc(-c2ccc(C(F)(F)F)cc2)n1 2362801908 XJAPCDYDOYLNFR-UHFFFAOYSA-N 227.189 2.501 0 40 BFAB Cc1cc(C)nc(SCCc2ccncc2)n1 107951 XLGJINHTQUHGHD-UHFFFAOYSA-N 245.351 2.823 0 40 BFAB CC(=O)NC(=S)Nc1ccc(C(C)C)cc1 1480404 BSPHBLHUQGOJPV-UHFFFAOYSA-N 236.340 2.643 0 40 BFAB Clc1ccc(OC2CCCCC2)nn1 1673308 OJQAWSGLUDQRGU-UHFFFAOYSA-N 212.680 2.842 0 40 BFAB NCCCNc1ccnc2cc(Cl)ccc12 1687510 YXPOTYIIRALLPH-UHFFFAOYSA-N 235.718 2.649 0 40 BFAB biogenic CCN(CC)C(=O)Nc1ccccc1F 1752772 DKDRNNPBCZEWAX-UHFFFAOYSA-N 210.252 2.699 0 40 BFAB O=C(O)c1cc(C2CC2)nc2ccc(F)cc12 3757196 HLCKTTRLVOHYDW-UHFFFAOYSA-N 231.226 2.950 0 40 BFAB in-vitro CNC(=O)CSc1ccc2ccccc2c1 5171874 RNLRTUDZXSAUTR-UHFFFAOYSA-N 231.320 2.678 0 40 BFAB Cc1nc(-c2ccc3[nH]c(=O)oc3c2)cs1 8072830 FMTSXBRHIAMJPG-UHFFFAOYSA-N 232.264 2.553 0 40 BFAB CCOc1ccc(CNCC(C)C)cc1OC 8324685 KQIBTDJFPPCFOY-UHFFFAOYSA-N 237.343 2.840 0 40 BFAB CCC[C@H](Nc1cc(C)ccc1C)C(=O)O 8702814 KYEUMJSHIGPAHL-NSHDSACASA-N 221.300 2.969 0 40 BFAB CCc1ccccc1NC(=O)C1CCC1 12976312 BBJLCYSHTGMCKX-UHFFFAOYSA-N 203.285 2.988 0 40 BFAB Cc1ccc(F)cc1NC(=O)[C@@H](C)n1cccn1 13017142 KHEYQANPQVSFIN-SNVBAGLBSA-N 247.273 2.530 0 40 BFAB NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 19722308 YEQITMPHTZZNGH-UHFFFAOYSA-N 244.269 2.537 0 40 BFAB CCOC(=O)/C=C/c1ccc(OC)cc1C 20154692 FHXBWWQNTOQDBP-SOFGYWHQSA-N 220.268 2.580 0 40 BFAB CN[C@H](C)c1ccccc1Br 22222413 XECFTYRSJJZEDU-SSDOTTSWSA-N 214.106 2.730 0 40 BFAB in-vitro CN(C(=O)C1CCCCC1)C1CCCC1 22524231 YZXJSOZIWOWWOA-UHFFFAOYSA-N 209.333 2.968 0 40 BFAB COc1cccc2cc(CSC(=N)N)oc12 26422727 AQCWTQXURCPNDL-UHFFFAOYSA-N 236.296 2.568 0 40 BFAB C[C@@H](Cn1ccnc1)NC[C@H](C)c1ccccc1 35275263 ISVMDQHHEFJSMN-KBPBESRZSA-N 243.354 2.665 0 40 BFAB CCCNC(=S)Nc1ccc(S)cc1 35586130 JERUSNDWNSDOPQ-UHFFFAOYSA-N 226.370 2.672 0 40 BFAB C[C@@H]1Cc2ccccc2N1C(=O)c1ccoc1 36883501 OEFPURVUACOOSG-SNVBAGLBSA-N 227.263 2.871 0 40 BFAB O=C(O)CCNCc1cccc(Cl)c1Cl 36891910 PZNGWKAPHJHJEA-UHFFFAOYSA-N 248.109 2.558 0 40 BFAB O=C1CCOc2c1ccc(Cl)c2Cl 36928526 JFQZFACTKZZVDU-UHFFFAOYSA-N 217.051 2.959 0 40 BFAB in-vitro COc1cccc(-c2nc3ncccc3o2)c1 39233178 ROXWQVXCKKCLFC-UHFFFAOYSA-N 226.235 2.898 0 40 BFAB CN(C)C(=O)CCCOc1ccc(Cl)cc1 42645582 OIRDTVOUUXLHFF-UHFFFAOYSA-N 241.718 2.587 0 40 BFAB CCCc1noc([C@H](C)N2CCC(C)CC2)n1 44583988 LNXVJBMAFGTAFV-NSHDSACASA-N 237.347 2.815 0 40 BFAB C[C@@H](c1nc(C2CC2)no1)N1C[C@H](C)C[C@@H](C)C1 51159025 SRDITENRFDOUDC-MXWKQRLJSA-N 249.358 2.986 0 40 BFAB CCOC(=O)/C=C\c1ccc(Cl)cc1 62714380 MHZFMMSRIDAQIB-YVMONPNESA-N 210.660 2.916 0 40 BFAB COc1cccc([C@@H]2CCCC(=O)C2)c1 70737595 ITELCHXDAYGAGU-SNVBAGLBSA-N 204.269 2.922 0 40 BFAB CC(C)(C)c1ccc([C@H]2CC(=O)N2)cc1 72228430 RLZBTSWVKFJDOE-LLVKDONJSA-N 203.285 2.545 0 40 BFAB Cc1cnn(Cc2ccc3ccccc3n2)c1 72302051 FDZLXUIPYOADTL-UHFFFAOYSA-N 223.279 2.788 0 40 BFAB N[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)cc1 72411168 FBVLDSYXYDSPMZ-OLZOCXBDSA-N 238.762 2.700 0 40 BFAB Cc1n[nH]c2c(C(F)(F)F)cccc12 75883956 CMPAHIHEZFFWGM-UHFFFAOYSA-N 200.163 2.890 0 40 BFAB COC1CCN(C(=O)C2CCCCCC2)CC1 89409598 LEMPBZQRTQJXKQ-UHFFFAOYSA-N 239.359 2.594 0 40 BFAB CCN1CCc2sc(Br)cc2C1 95097535 YKOQEGPVRCSWCK-UHFFFAOYSA-N 246.173 2.889 0 40 BFAB CSCCOC(=O)c1csc(C(C)C)n1 95405046 YKGMONUSXXVWEL-UHFFFAOYSA-N 245.369 2.786 0 40 BFAB C1CCC(c2nc(CC3CCNCC3)no2)CC1 96511438 XDNHGSVXAKTAKL-UHFFFAOYSA-N 249.358 2.659 0 40 BFAB CC(C)(C)NC(=S)Nc1ccc(Cl)cn1 223880284 PEOGAKFDAMCEER-UHFFFAOYSA-N 243.763 2.820 0 40 BFAB CCn1cc(C)c(NCc2cccc(F)c2)n1 256053835 TVYOGCZLGQOKGS-UHFFFAOYSA-N 233.290 2.963 0 40 BFAB Cc1ccc(CN2CC[C@H](c3ccn[nH]3)C2)cc1 257302885 SEVHHAWUTURHOY-AWEZNQCLSA-N 241.338 2.708 0 40 BFAB COc1c(F)cccc1C(=O)C(F)(F)Cl 379830670 CJKOJFSYENXEOV-UHFFFAOYSA-N 238.592 2.849 0 40 BFAB COc1cc(F)c(F)cc1C(=O)C1CCC1 394514882 CRPLISMHOUHJSO-UHFFFAOYSA-N 226.222 2.956 0 40 BFAB FC[C@H]1CCN(c2ncnc3ccc(F)cc23)C1 882842120 NUXVTJPYZQKDSQ-SECBINFHSA-N 249.264 2.565 0 40 BFAB O[C@@H](c1ccccn1)c1c[nH]c2ccccc12 119569 XTNHYMXOUCGEHA-CQSZACIVSA-N 224.263 2.645 0 40 BFAB CCCCOC(=O)c1cc2ccccc2oc1=O 1597140 DNSDRVXHFSEQRO-UHFFFAOYSA-N 246.262 2.750 0 40 BFAB CN(C)[C@H]1c2ccccc2-c2ccc(N)cc21 1674714 AWEPOVQSWQKAQF-HNNXBMFYSA-N 224.307 2.900 0 40 BFAB Nc1c(O)c(Cl)cc(Cl)c1Cl 1683622 QQDKXJSYZGJGKJ-UHFFFAOYSA-N 212.463 2.935 0 40 BFAB in-vitro O=C1Nc2cccc3c2N(CCC3)C2=C1CCC2 1740324 QOJIWWLKLUGOGI-UHFFFAOYSA-N 240.306 2.829 0 40 BFAB Cc1ccc(F)cc1C(=O)CCCC(=O)O 2580141 DOZZPNIFSBCTIE-UHFFFAOYSA-N 224.231 2.572 0 40 BFAB O=C(Nc1c(F)cccc1F)c1ccco1 4898437 QIQHADSTBAZZHO-UHFFFAOYSA-N 223.178 2.810 0 40 BFAB NC(=O)c1cc2c(c3c1CCCC3)CCCC2 5339507 RHOYBLLQUWAELB-UHFFFAOYSA-N 229.323 2.543 0 40 BFAB Cc1ccc(NCc2ccc(C(=O)O)o2)cc1 8702186 BGESVWQKXHMSLO-UHFFFAOYSA-N 231.251 2.898 0 40 BFAB Cc1cccc(CCCNC(=O)c2ccco2)c1 10110644 UUURIJRIKCJFJI-UHFFFAOYSA-N 243.306 2.951 0 40 BFAB CC(C)(C)c1ccc(CN2CCC(N)CC2)cc1 11729472 WCERGPOTFIYNFH-UHFFFAOYSA-N 246.398 2.907 0 40 BFAB O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc(F)cc1 12374518 KEYGOTKLCRWNDY-VXGBXAGGSA-N 247.269 2.505 0 40 BFAB O=C(Nc1ccnn1C1CCCCC1)C1CC1 12853124 CBNKUZUENQTAOJ-UHFFFAOYSA-N 233.315 2.737 0 40 BFAB CCOC(=O)c1cc2cc(CN(C)C)ccc2o1 16886486 LZLJHNQXIWCMLY-UHFFFAOYSA-N 247.294 2.671 0 40 BFAB COc1ccc(N)cc1N1[C@@H](C)CC[C@H]1C 17957888 JMLAXDLUMSEPQT-AOOOYVTPSA-N 220.316 2.655 0 40 BFAB Cc1ccoc1C(=O)NCc1cccs1 23239017 FNXBKNFOHLDOAN-UHFFFAOYSA-N 221.281 2.580 0 40 BFAB C[C@@H](Oc1ccc2ccccc2c1C=O)C(=O)O 26506133 ANPLFFDSGDNJIK-SECBINFHSA-N 244.246 2.504 0 40 BFAB O=C(O)c1cn2cc(-c3ccccc3)nc2s1 29753772 AIOINNJFQGFMED-UHFFFAOYSA-N 244.275 2.761 0 40 BFAB CCC[C@H](C)N[C@H](C)c1nnc2ccccn12 36968977 HRNJBSYWRUZFSG-WDEREUQCSA-N 232.331 2.569 0 40 BFAB COc1cccc(C(N)c2cccc(OC)c2)c1 37533226 PHVIVWGJFJLQLR-UHFFFAOYSA-N 243.306 2.752 0 40 BFAB CCc1ccc2[nH]c(C)c(C)c(=O)c2c1 37947555 FGRSKQANYBPYIP-UHFFFAOYSA-N 201.269 2.707 0 40 BFAB CC(C)NC(=O)N1CC[C@H](c2ccccc2)C1 38567315 SENRZAURNKMSJK-ZDUSSCGKSA-N 232.327 2.594 0 40 BFAB CCCS(=O)(=O)Nc1c(C)cc(C)cc1C 45929298 QQHZXMXLWMCLJA-UHFFFAOYSA-N 241.356 2.764 0 40 BFAB CC[C@@H](CN)Cc1ccccc1Br 52947296 KTVJZTWDVCFFJW-SECBINFHSA-N 242.160 2.977 0 40 BFAB Cc1cc(CSC(=S)N2CCCC2)on1 70794203 SZRNCKNNAUZTNL-UHFFFAOYSA-N 242.369 2.597 0 40 BFAB FC(F)(F)c1ncc(Br)s1 72193263 BEFIZUOVAXMSPV-UHFFFAOYSA-N 232.024 2.924 0 40 BFAB in-vitro CC(C)CN1CCCC[C@@H]1c1ccc(O)nc1 72212270 LXYCHSJMKXXIMC-CYBMUJFWSA-N 234.343 2.970 0 40 BFAB CNc1nccnc1[C@H]1CCCN1C1CCCC1 72356829 FBDGPSCCAKMSML-GFCCVEGCSA-N 246.358 2.598 0 40 BFAB c1ccc(CNc2nnc(-c3ccco3)o2)cc1 74384178 KUNIHUJSODGWAT-UHFFFAOYSA-N 241.250 2.942 0 40 BFAB C[C@H](N(C)C(=O)c1ccoc1)C1(C)CC1 75108222 NGAPSGJRYUXURP-VIFPVBQESA-N 207.273 2.540 0 40 BFAB CCc1nc2sc3ccccc3c2c(=O)[nH]1 77251895 DAPQVKAVKGGNSO-UHFFFAOYSA-N 230.292 2.700 0 40 BFAB NCC1(c2ccc(F)c(F)c2)CCCC1 82595106 JVZDCLINPVPCHU-UHFFFAOYSA-N 211.255 2.735 0 40 BFAB COC(=O)c1ccc(Cl)c2cnccc12 82769769 XCDUZSPXTWCMCH-UHFFFAOYSA-N 221.643 2.675 0 40 BFAB NC1(Cc2ccccn2)CCC(F)(F)CC1 83351137 VLVBKVSXTMRBNU-UHFFFAOYSA-N 226.270 2.531 0 40 BFAB CC(=O)c1ccc(NC(=O)c2ccsc2)nc1 95444912 KKSLDNJHTNUGMI-UHFFFAOYSA-N 246.291 2.598 0 40 BFAB CCCCOc1c(F)cc(F)cc1C(=O)O 95732442 IHUMGNAHGXSHKI-UHFFFAOYSA-N 230.210 2.842 0 40 BFAB Fc1ccccc1-c1n[nH]c2c1[C@@H]1CC[C@H](C2)N1 96510277 HKCCHYYEYIUSMH-KCJUWKMLSA-N 243.285 2.565 0 40 BFAB CC[C@@H](C(=O)O)[C@H]1CCN(Cc2ccccc2)C1 96963678 LEKMNFWFDOYZRS-UONOGXRCSA-N 247.338 2.619 0 40 BFAB CC(C)(C)C1=NN=C2c3ccccc3C(=O)[C@H]21 100365124 RAFCLOURPITYQX-JTQLQIEISA-N 226.279 2.704 0 40 BFAB Cc1cccnc1NC(=O)[C@H]1C[C@H]2CC[C@H]1C2 102062563 VMSSNHZUSHHPTL-SRVKXCTJSA-N 230.311 2.765 0 40 BFAB Cc1ccc(N(C)CCCC(=O)O)cc1Cl 121602491 MQHHIGVATGEWBK-UHFFFAOYSA-N 241.718 2.949 0 40 BFAB CCC[C@@H](C)NC(=O)c1ccc(OC)c(F)c1 225389494 DWTAUBLZNQFFTA-SECBINFHSA-N 239.290 2.753 0 40 BFAB c1ccc(CN2CCNc3ccncc32)cc1 228981843 GVXMMZXTWYAFNS-UHFFFAOYSA-N 225.295 2.514 0 40 BFAB CCCN(c1ccccc1F)[C@H](CC)C(=O)O 260677382 BMKLSFIALCJBFD-LLVKDONJSA-N 239.290 2.905 0 40 BFAB CCOC(=O)c1ccc(C(=O)CC(C)C)o1 261187415 MIDSEUOYSFMGMT-UHFFFAOYSA-N 224.256 2.685 0 40 BFAB CCn1ncc2c1C[C@H](C(F)(F)F)CC2 575424358 KKBKIIJXSMDDGS-MRVPVSSYSA-N 218.222 2.570 0 40 BFAB CC1(C)CC[C@@H](n2cnc3nccnc32)C1 629385748 CKKQMTQLRPNWKA-SECBINFHSA-N 216.288 2.578 0 40 BFAB COC(=O)[C@H]1C[C@@H]1c1cccc(C)c1C 1857793741 AVSHWDGRUJPLJZ-NEPJUHHUSA-N 204.269 2.580 0 40 BFAB Cc1ccnc(SCC(=O)c2ccccc2)n1 581073 NASDTOMIBFDQBS-UHFFFAOYSA-N 244.319 2.760 0 40 BFAB O=C(/C=C/c1ccccc1F)Nc1nccs1 3549618 LXZRJJLCGGGIOM-AATRIKPKSA-N 248.282 2.934 0 40 BFAB CC(C)[C@H]1OC[C@H]2Cc3ccccc3[C@@H]2O1 4005768 NOBNLHDWQDMAEA-BNOWGMLFSA-N 218.296 2.929 0 40 BFAB CCOc1ccccc1CNCC(C)C 5907039 XOVXKLOUVOQXKK-UHFFFAOYSA-N 207.317 2.831 0 40 BFAB COc1cc(C(=O)N[C@@H](C)C2CC2)ccc1C 8704338 HLGWRQGZAGIYQQ-JTQLQIEISA-N 233.311 2.532 0 40 BFAB CC(C)=C[C@H]1[C@@H](C(=O)NC(C)C)C1(C)C 12981287 KAKXBNHJXOBMRL-QWRGUYRKSA-N 209.333 2.749 0 40 BFAB C[C@@H](CCC(=O)O)COCc1ccccc1 16123992 FUJSQHVWQAVRNN-NSHDSACASA-N 222.284 2.704 0 40 BFAB CCCNC(=O)[C@H](C)Nc1ccc(C)cc1C 20312777 MZYLPIFTFAWFCJ-LBPRGKRZSA-N 234.343 2.630 0 40 BFAB Cc1ccccc1-c1nnc2n1CCCCC2 26443839 WDTZHTINTMXZMA-UHFFFAOYSA-N 227.311 2.980 0 40 BFAB CC(C)c1ccc(C(=O)N2CCO[C@@H](C)C2)cc1 32865138 XEOQHNYPAOQXQW-LBPRGKRZSA-N 247.338 2.671 0 40 BFAB O=C(Nc1cc(F)cc(F)c1)c1ccc[nH]1 36393156 LXWXPZBXGVAWCL-UHFFFAOYSA-N 222.194 2.545 0 40 BFAB COc1ccccc1[C@@H](O)c1cccs1 37464526 BHHXGZIROACXQP-GFCCVEGCSA-N 220.293 2.838 0 40 BFAB CCOC(=O)[C@H]1CCCc2ccccc21 39220499 YNGYAVXHTVNYBC-LBPRGKRZSA-N 204.269 2.670 0 40 BFAB Cc1ccc(C(=O)N(C)Cc2ccsc2)cn1 40489369 LQDDBZUYXSGJEP-UHFFFAOYSA-N 246.335 2.724 0 40 BFAB CCC(=O)N1C[C@H](C)O[C@@H](c2ccc(C)cc2)C1 41422266 SHUIKUPBACIPJJ-GXTWGEPZSA-N 247.338 2.693 0 40 BFAB Cc1cc(NC(=O)C(C)(C)C)ccc1C(=O)O 44749751 GKASVDUETPIROP-UHFFFAOYSA-N 235.283 2.678 0 40 BFAB Cc1cc(NC(=O)c2ccoc2)ccc1C(=O)O 44749801 GRZUSGBOWNQZPQ-UHFFFAOYSA-N 245.234 2.539 0 40 BFAB CC(C)c1ccccc1O[C@@H](C)C(=O)N(C)C 44840632 LRQRBULEDFCTIZ-NSHDSACASA-N 235.327 2.666 0 40 BFAB COC1CCN(C(=O)Nc2cccc(C)c2)CC1 48466193 FPYSOHZWUYLOOP-UHFFFAOYSA-N 248.326 2.638 0 40 BFAB CC(=O)N(Cc1cccs1)Cc1cccn1C 49521709 BCBZNUFWLFYBAO-UHFFFAOYSA-N 248.351 2.635 0 40 BFAB C[C@H](O)Cc1ccc(Br)cc1F 53784411 OKZVKJZNCOMXHY-LURJTMIESA-N 233.080 2.512 0 40 BFAB Cc1cc(F)ccc1[C@@H](O)c1ccco1 55204603 UMUOBKQBQYOMKQ-GFCCVEGCSA-N 206.216 2.809 0 40 BFAB C[C@@H](C1CC1)N(C)C(=O)CCOc1ccccc1 58415228 HIPPLUKNXVPHLX-LBPRGKRZSA-N 247.338 2.712 0 40 BFAB C[C@@H](N)c1cc(Br)ccc1F 71451549 DNTVTHQJTIIMMB-RXMQYKEDSA-N 218.069 2.608 0 40 BFAB Clc1ccccc1CNC[C@@H]1CCCCN1 72202846 MHZGHFLMMSPBDU-LBPRGKRZSA-N 238.762 2.572 0 40 BFAB CN1CCC[C@@H]1c1ccc(N2CCCCC2)nc1 72216027 KFZYHJKUTLGMLP-CQSZACIVSA-N 245.370 2.839 0 40 BFAB N[C@H]1CCCC[C@@H]1NCc1cccc(Cl)c1 72411148 JHYUHPXZSRIESE-STQMWFEESA-N 238.762 2.700 0 40 BFAB c1ccc(-c2cnc3n2CCS3)cc1 73658641 CAUHKXULRHZVPO-UHFFFAOYSA-N 202.282 2.656 0 40 BFAB O=C(O)CCCc1cccc(OC(F)F)c1 78406370 HEPHMGIZRKAWHQ-UHFFFAOYSA-N 230.210 2.695 0 40 BFAB CN(C(=O)OC(C)(C)C)c1ccccc1O 82291040 KJOJWSHLPKNUAO-UHFFFAOYSA-N 223.272 2.764 0 40 BFAB COc1ccccc1-c1cccc(CCO)c1 95727288 ISMVDYVURSSACW-UHFFFAOYSA-N 228.291 2.897 0 40 BFAB CC(C)NC(=O)N1CC[C@@H](Cc2ccccc2)C1 98013982 UVECLDMXYCFSDX-AWEZNQCLSA-N 246.354 2.669 0 40 BFAB CCOC(=O)N[C@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 100858708 KPSNZBHCVXBRQF-DBIOUOCHSA-N 211.305 2.557 0 40 BFAB CC(=O)O[C@H]1C[C@H]2CC[C@]13CC=CC[C@H]23 104290387 LOXGHFUDKKRKPV-NDBYEHHHSA-N 206.285 2.684 0 40 BFAB Cc1ccc([C@H](O)C(F)(F)F)c(F)c1 107767399 YDVIIOACJUXBHP-QMMMGPOBSA-N 208.154 2.730 0 40 BFAB OCC1(N[C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1 188429412 CKOIGUFMENFNNK-LSDHHAIUSA-N 245.366 2.512 0 40 BFAB C[Si](C)(C)c1cccc2c1[C@H]1C=C[C@H]2O1 206599528 YSRWCNSJKAVJPA-GHMZBOCLSA-N 216.356 2.914 0 40 BFAB O=C(O)C(F)(F)[C@@H]1CCCC(F)(F)C1 220207477 CNMVLQKWSLCHHX-RXMQYKEDSA-N 214.158 2.532 0 40 BFAB CCCN1CCc2[nH]ccc2[C@@H]1C(C)C 223710690 JSHQBIDFDDFINF-ZDUSSCGKSA-N 206.333 2.980 0 40 BFAB CC(C)CCN1C[C@@H](O)C[C@H]1CC(C)C 242687517 ULFUZDXSRZTKJJ-OLZOCXBDSA-N 213.365 2.514 0 40 BFAB F[C@@H]1COc2ccc(Br)cc2OC1 256050415 DYLPSUZPLGVZRW-SSDOTTSWSA-N 247.063 2.558 0 40 BFAB CCC(=O)c1ccc(Cl)cc1C(=O)OC 385510599 GUCADISNMGYHCT-UHFFFAOYSA-N 226.659 2.719 0 40 BFAB Cc1noc(C)c1CO[C@@H]1CCC[C@H]1F 1776008990 FEOZGWHHACKSHZ-GHMZBOCLSA-N 213.252 2.699 0 40 BFAB Cc1ccc(F)c2c(CCC(=O)O)c[nH]c12 1857793102 JTNAVVIXOADUGF-UHFFFAOYSA-N 221.231 2.633 0 40 BFAB CCCN(CCC)C(=O)Cc1ccc(OC)cc1 29534 VRJIWMKWVUPAGD-UHFFFAOYSA-N 249.354 2.886 0 40 BFAB CCC(CC)(CN(C)C)OC(=O)c1ccccc1 123387 USBXGBKQSALTNN-UHFFFAOYSA-N 249.354 2.964 0 40 BFAB Cc1ccc(NC(=O)c2ccccn2)cc1C 3065513 KWFPEMXPHAQTEF-UHFFFAOYSA-N 226.279 2.951 0 40 BFAB COc1ccc([C@H](C)N)c2ccccc12 3705592 GEAIGLPMZKYVEJ-VIFPVBQESA-N 201.269 2.868 0 40 BFAB Cc1ccc(Br)c([C@@H](C)N)c1 3705640 IZQJCORRPIODPA-SSDOTTSWSA-N 214.106 2.777 0 40 BFAB Cc1cc(NC2CCNCC2)ccc1Cl 4312839 QNHYLFRZAFQSHH-UHFFFAOYSA-N 224.735 2.812 0 40 BFAB CCCC[C@H](CC)[C@@H](O)[C@@H](C)[C@@H](C)O 4578628 LJGRJTMTDBCJEG-USZNOCQGSA-N 202.338 2.581 0 40 BFAB CCN(CC)C(=O)[C@H](C)Oc1cc(C)cc(C)c1 8041496 HYSNVZWHTNVPNT-ZDUSSCGKSA-N 249.354 2.939 0 40 BFAB Cc1ccccc1[C@H]1NC(=O)c2ccccc2N1 9737308 HEXRIGFWUUMZHO-CQSZACIVSA-N 238.290 2.849 0 40 BFAB Cc1ccc(F)cc1C(=O)NCc1ccco1 9952976 UQOWFTPOXUVNLK-UHFFFAOYSA-N 233.242 2.657 0 40 BFAB O=C1CCCc2[nH]nc(-c3ccccc3)c21 12324002 AIBOXMAFFRVADJ-UHFFFAOYSA-N 212.252 2.596 0 40 BFAB FC(F)(F)c1ccc(-n2cnnc2S)cc1 15924140 JZQDWMJNKSREOA-UHFFFAOYSA-N 245.229 2.575 0 40 BFAB CC[C@H](C)Nc1c(N)c(=O)oc2ccccc12 17730600 CZSJMKVVNKVDAI-QMMMGPOBSA-N 232.283 2.586 0 40 BFAB O=C(NCc1ccccc1)C1[C@H]2CCCC[C@@H]12 18126568 RNYXKMCVLDABRF-PBWFPOADSA-N 229.323 2.739 0 40 BFAB O=C(CNC1CCCCC1)Nc1ccccc1 20035683 RJZANQMLFZYQQE-UHFFFAOYSA-N 232.327 2.547 0 40 BFAB CC(=O)Nc1ccc(CN[C@H](C)C(C)C)cc1 20306190 FLDVQEMPASBUHF-LLVKDONJSA-N 234.343 2.779 0 40 BFAB c1ccc(Cc2noc([C@H]3CCCO3)n2)cc1 20536280 DSUSHLWIOWYFNC-LLVKDONJSA-N 230.267 2.512 0 40 BFAB C[C@H](N)COc1ccc(C(C)(C)C)cc1 23070051 PRTOGSFLXIJYDT-JTQLQIEISA-N 207.317 2.710 0 40 BFAB in-vitro C[C@H](O)Cc1ccc(Cl)c(Cl)c1 32010414 NVTCWDFUOVNOSO-LURJTMIESA-N 205.084 2.917 0 40 BFAB C[C@@H](CC(=O)N1CCCCCCC1)n1ccnc1 32720225 WBJVMTLTVOETSZ-ZDUSSCGKSA-N 249.358 2.627 0 40 BFAB CN(CC1CCCCC1)C(=O)c1ccncc1 32769702 KKWTWQGHGMRURN-UHFFFAOYSA-N 232.327 2.734 0 40 BFAB CN(C(=O)c1ccncc1)C1CCCCCC1 32857940 BKPUGZONNPWFHW-UHFFFAOYSA-N 232.327 2.876 0 40 BFAB C[C@@H](Cc1cccs1)NC(=O)C(C)(C)C 38935402 PXAUAWQMELQNEM-VIFPVBQESA-N 225.357 2.841 0 40 BFAB C=Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3 39947128 OVSHRHXQNLFAKR-UHFFFAOYSA-N 232.308 2.506 0 40 BFAB in-vitro CC[C@H]1CN(Cc2ccccc2C)CCO1 40071646 WUCBPLKFOFVMOQ-AWEZNQCLSA-N 219.328 2.606 0 40 BFAB Cc1cc(C(=O)N2CC[C@H]3CCCC[C@H]3C2)on1 40473413 RNGUBFLCWHVTMN-NEPJUHHUSA-N 248.326 2.635 0 40 BFAB CC(C)c1noc([C@@H](C)N2CCCCC2)n1 40496413 GEMKLYYQKZPKGT-SNVBAGLBSA-N 223.320 2.740 0 40 BFAB CCc1ccc(C(=O)N(C)[C@H](C)C2CC2)o1 40511023 PJUYKLRQCIIKQN-SECBINFHSA-N 221.300 2.713 0 40 BFAB O=c1[nH]c(-c2ccccc2)nc2sccc12 41627294 KUUDXSBOSKAIPJ-UHFFFAOYSA-N 228.276 2.652 0 40 BFAB CCOc1ccc(OCC[C@H]2CCCNC2)cc1 42773055 ASQIPSCCEBGTFK-CYBMUJFWSA-N 249.354 2.854 0 40 BFAB Oc1nc(C(F)(F)F)ccc1-c1cccnc1 47213821 FTBWELPGRIETLY-UHFFFAOYSA-N 240.184 2.868 0 40 BFAB Cc1ccoc1C(=O)N1CCc2sccc2C1 48279894 VCVOXKVGFQYFKA-UHFFFAOYSA-N 247.319 2.848 0 40 BFAB CN(C)Cc1ccc(Br)s1 48583512 IZRJBXUOWQPIKM-UHFFFAOYSA-N 220.135 2.572 0 40 BFAB O=C(N[C@H]1CCc2cc(F)ccc21)C1CCC1 48974585 OTLRTRYFGMDLOZ-ZDUSSCGKSA-N 233.286 2.729 0 40 BFAB CCOc1cccc(N[C@H](C)COC)c1 53195892 MWDJSVWYUMJING-SNVBAGLBSA-N 209.289 2.532 0 40 BFAB CC[C@H]1c2ccsc2CCN1CCOC 53421704 LGTDEFCUQMPUJF-NSHDSACASA-N 225.357 2.704 0 40 BFAB CCC(O)(CC)c1ccc(F)c(F)c1 55236778 QNMQDQMSHRCDMK-UHFFFAOYSA-N 200.228 2.972 0 40 BFAB CCOc1ccc([C@@H](CN)OC(C)C)cc1 62711764 CRUBDTUTZLWAMJ-CYBMUJFWSA-N 223.316 2.510 0 40 BFAB Cn1cc(-c2ccc3ccccc3n2)cn1 68591978 CTFVFZJRACMKKK-UHFFFAOYSA-N 209.252 2.635 0 40 BFAB Cc1ccccc1[C@@](C)(CN)N1CCCCC1 70453398 ISUVNSUWUKPIGJ-OAHLLOKOSA-N 232.371 2.655 0 40 BFAB Cc1ccc(C(=O)O)nc1-c1ccccc1 71256508 WWPRFORJPHATHT-UHFFFAOYSA-N 213.236 2.755 0 40 BFAB Brc1nc(-c2ccncc2)cs1 72204582 LKUKQIKBQAHEIH-UHFFFAOYSA-N 241.113 2.968 0 40 BFAB CCn1ncc(CNc2ncccc2C)c1C 72226659 VDFQYMCDXNNHGW-UHFFFAOYSA-N 230.315 2.527 0 40 BFAB CCc1ccc(O)c(NC(=O)c2cscn2)c1 74827398 WBHMRJLHRLBCRH-UHFFFAOYSA-N 248.307 2.663 0 40 BFAB CCOC(CCOc1ccc(F)cc1)OCC 75767568 VHPPTLPPNAXOMZ-UHFFFAOYSA-N 242.290 2.994 0 40 BFAB in-vitro CCc1nnc([C@H](C)Sc2ccncc2)o1 83834269 HALTUNNXCZPQLF-QMMMGPOBSA-N 235.312 2.880 0 40 BFAB CNC(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 89385864 MYUSZFSTDNYXDC-BDAKNGLRSA-N 243.228 2.555 0 40 BFAB C[C@H](C(=O)N(C)C)c1ccc(Cl)s1 89905014 VGSZTDOFMUUHFY-LURJTMIESA-N 217.721 2.593 0 40 BFAB C[C@H](N[C@@H](CO)CC(C)(C)C)c1ccco1 90589718 OVAQNMWILPNUDC-WDEREUQCSA-N 225.332 2.727 0 40 BFAB CC(=O)N1C[C@@H](C)C[C@H]1c1cccc(F)c1 95401961 USMVQQYAXDYDFX-ZANVPECISA-N 221.275 2.755 0 40 BFAB Cc1ccc([C@@H](O)c2cccn2C)cc1C 95727763 SYTPXLZQMJKMJV-CQSZACIVSA-N 215.296 2.724 0 40 BFAB CCOC(=O)CC(=O)c1cc(F)cc(Cl)c1 95728845 AGRAHQACJFZKIF-UHFFFAOYSA-N 244.649 2.615 0 40 BFAB Cc1cc(C)n(CCOc2cccc(F)c2)n1 96428921 KQDBLOGMONOFCN-UHFFFAOYSA-N 234.274 2.718 0 40 BFAB C[C@@H]1CCC[C@@H](C)N1C(=O)[C@@H]1CCCS1 98015807 KUICHCGNVMQXBC-MXWKQRLJSA-N 227.373 2.672 0 40 BFAB CN(C)CCO[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C 100733196 FFSUJINLERSHGM-SCRDCRAPSA-N 225.376 2.779 0 40 BFAB CCc1ccc(C[C@@H](C(=O)O)N(CC)CC)cc1 107843812 OOEHOIVUDPRXHX-AWEZNQCLSA-N 249.354 2.587 0 40 BFAB Cc1cc(NC[C@@H](C)c2ccccc2)n(C)n1 194368968 FTJAIOTVDIUVRO-LLVKDONJSA-N 229.327 2.944 0 40 BFAB NCCO[C@@H](c1ccccc1)C1CCC1 217690462 GXKLAOMUSWNUEP-ZDUSSCGKSA-N 205.301 2.503 0 40 BFAB CCNCc1cccn1-c1ccccc1C 223679238 YSLKLPQLWSYRHP-UHFFFAOYSA-N 214.312 2.895 0 40 BFAB Cc1ccccc1O[C@H](C)C(=O)N[C@H](C)C(C)C 225216007 GFRUDCUOOLTPKB-CHWSQXEVSA-N 249.354 2.923 0 40 BFAB CCN(CC)c1ccc(NC(=O)C(C)C)cc1N 226262636 NYZLPYBIXGHNSY-UHFFFAOYSA-N 249.358 2.710 0 40 BFAB CC(C)[C@@H](N)c1cnc2c(c1)CCCC2 252492396 MKYZRURUYAQEEQ-CYBMUJFWSA-N 204.317 2.616 0 40 BFAB Cc1nn(CC(C)C)cc1NCc1cccn1C 256049735 BESWCCNGPRTUBP-UHFFFAOYSA-N 246.358 2.798 0 40 BFAB CCn1cc(CNc2cn(C(C)C)nc2C)cn1 256053819 TURLHVRVJCUTSC-UHFFFAOYSA-N 247.346 2.601 0 40 BFAB Cc1cc(N2CCC(F)(F)C2)nc(C2CC2)n1 334815978 CIRFCMBGRYBUHM-UHFFFAOYSA-N 239.269 2.508 0 40 BFAB CCn1ncc(Br)c1C(F)F 408717389 ZJGITTRLQWTPDV-UHFFFAOYSA-N 225.036 2.603 0 40 BFAB Cc1cccc(O[C@H](C)c2ccncc2)n1 585654993 QALRBYXKWLWLSR-LLVKDONJSA-N 214.268 2.925 0 40 BFAB Cc1ccc(C(=O)N2CCC(F)(F)CC2)s1 684519482 GHINCURJJNKOQE-UHFFFAOYSA-N 245.294 2.928 0 40 BFAB COC(=O)c1cc2cc(C=O)sc2s1 1535641938 SEFQAJRTEAPXKV-UHFFFAOYSA-N 226.278 2.562 0 40 BFAB CC1=CC[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2C1 99503 ASZMUCNZOBZRBK-STQMWFEESA-N 241.290 2.532 0 40 BFAB COC(=O)Nc1nc2cc(Cl)ccc2o1 344609 GKISGNSYPQGIGD-UHFFFAOYSA-N 226.619 2.660 0 40 BFAB CN1CCC[C@H]2c3ccccc3CC[C@@H]21 1563852 CAIZFPWDMVYDRN-KBPBESRZSA-N 201.313 2.811 0 40 BFAB CC(C)C[C@@H]1N=C(OCc2ccccc2)OC1=O 1643475 XYXGMKISONCBJW-LBPRGKRZSA-N 247.294 2.531 0 40 BFAB Cc1cccc(Nc2ncnc(Cl)c2N)c1 1657434 DENNCRISYFAKDC-UHFFFAOYSA-N 234.690 2.764 0 40 BFAB OCCN[C@@H](Cc1ccccc1)[C@H]1CC=CCC1 1666268 FXGFUMWSVRDRPN-HOTGVXAUSA-N 245.366 2.536 0 40 BFAB CC[C@H](C(=O)NCC(C)C)c1ccccc1 2057718 CMNSWXNDTNZFDE-ZDUSSCGKSA-N 219.328 2.952 0 40 BFAB OCCN[C@H](Cc1ccccc1)c1ccccc1 3638069 MQCJFNFEBKFRRQ-MRXNPFEDSA-N 241.334 2.552 0 40 BFAB O=C(O)c1occc1COc1ccccc1 9256627 UQQKIERSVLJVCW-UHFFFAOYSA-N 218.208 2.557 0 40 BFAB in-vitro CCCCCCSc1nnc(C)c(O)n1 11991250 CLYXSRPWQHQIMH-UHFFFAOYSA-N 227.333 2.558 0 40 BFAB C[C@H](NC(=O)N1CCc2ccccc2C1)C1CC1 12921983 MYCDZAVKFICKRT-NSHDSACASA-N 244.338 2.553 0 40 BFAB Cc1cc(C)nc(NC(=O)c2ccoc2C)c1 13004277 YWUNJAGBIBFCCJ-UHFFFAOYSA-N 230.267 2.852 0 40 BFAB CC(C)[C@@H]1CC[C@H](C)C[C@@H]1O[C@H]1C=CC(=O)O1 16036017 URWJVUPZIGIVFZ-ZJQBRPOHSA-N 238.327 2.903 0 40 BFAB CCOc1cc(CN[C@@H](C)CC)ccc1O 19881866 GLQBBKNOTXGDDQ-JTQLQIEISA-N 223.316 2.679 0 40 BFAB O=C1C[C@@H](c2cccnc2)Nc2ccccc21 34569810 NZCGHPXFYXUOQY-ZDUSSCGKSA-N 224.263 2.821 0 40 BFAB C[C@H]1CCCCN1C(=O)c1cc(Cl)ccn1 34937671 TUBXNIABKOGNHN-VIFPVBQESA-N 238.718 2.750 0 40 BFAB CN(Cc1ccc(Cl)nc1)Cc1ccco1 35206453 RBOLRVUYNMRHDK-UHFFFAOYSA-N 236.702 2.960 0 40 BFAB O=C(Nc1cccc(-c2ccn[nH]2)c1)C1CCC1 38720520 ZROLBZVIEHAWHZ-UHFFFAOYSA-N 241.294 2.815 0 40 BFAB COc1cccc(Oc2ccnc(Cl)n2)c1 40448071 WOZRVJGVPREYBH-UHFFFAOYSA-N 236.658 2.931 0 40 BFAB Cc1sc(N)nc1-c1ccccc1F 41656332 CEFRPXMSXURODK-UHFFFAOYSA-N 208.261 2.840 0 40 BFAB CC(C)CSCCC(=O)Nc1cccnc1 42653642 ATVMGBCJNMLOMO-UHFFFAOYSA-N 238.356 2.799 0 40 BFAB CCOC(=O)C[C@@H](C)S[C@@H](C)CC 43618442 DAJRQBWZONAPQN-DTWKUNHWSA-N 204.335 2.860 0 40 BFAB COc1ncccc1NC(=O)C1CCCCC1 49055948 MTIVTLLIWBUPCM-UHFFFAOYSA-N 234.299 2.609 0 40 BFAB COc1ccc(OCCC[C@@H](C)C(=O)O)cc1 57529301 VXENOFYFHYCDRJ-SNVBAGLBSA-N 238.283 2.575 0 40 BFAB in-vitro C[C@@H]1CCCN(C(=O)CCNc2ccccc2)C1 58264920 BFBNZVYCANYACQ-CYBMUJFWSA-N 246.354 2.747 0 40 BFAB C[C@H](O)[C@@H]1C[C@@H]1c1ccccc1Br 62713973 MRTRCQFYDZXKHK-UJNFCWOMSA-N 241.128 2.933 0 40 BFAB Nc1ncc(-c2ccc(C(F)(F)F)cc2)o1 75843780 ANIWYAYRDALXKU-UHFFFAOYSA-N 228.173 2.943 0 40 BFAB CCCCCCN1CCC([C@@H](C)O)CC1 77286318 BWJLIUOTFYISJQ-GFCCVEGCSA-N 213.365 2.660 0 40 BFAB c1cc(CN2CCC[C@@H]2C2CCCC2)on1 79393818 TWLHPNADDGALNP-CYBMUJFWSA-N 220.316 2.829 0 40 BFAB Cn1cc(/C=C/c2ccnnc2)c(C(C)(C)C)n1 95455437 OPJIRIDHXVPCMK-AATRIKPKSA-N 242.326 2.678 0 40 BFAB COc1c(F)cccc1C(=O)C(F)(F)F 95634661 CLUYIVLIFLYQDI-UHFFFAOYSA-N 222.137 2.579 0 40 BFAB Cc1cc(CN2CC[C@@]3(CCCO3)C2)oc1C 96051025 RVFBVGAJRGMHIA-AWEZNQCLSA-N 235.327 2.651 0 40 BFAB CSc1nc(Cl)cc(C2CC2)n1 96311402 ROYOJXTZQSKWMF-UHFFFAOYSA-N 200.694 2.729 0 40 BFAB OCc1ccc(Cl)c(NCc2cccnc2)c1 96489079 KNVTUKMASPGZRI-UHFFFAOYSA-N 248.713 2.839 0 40 BFAB Oc1cnn(-c2cccc(Cl)c2Cl)c1 96510720 QQSXQEFMWDBZMP-UHFFFAOYSA-N 229.066 2.885 0 40 BFAB CCOc1cc(SC)sc1C(=O)O 96510928 SQIZWFJLCKZVGF-UHFFFAOYSA-N 218.299 2.567 0 40 BFAB Cn1cccc/c1=N/c1cnc2ccccc2c1 103161391 YPPCIUPBZGGMHV-ICFOKQHNSA-N 235.290 2.806 0 40 BFAB Cc1cccc(N(C)CCCC(=O)O)c1C 116366926 BGQIMLBJSWVXNY-UHFFFAOYSA-N 221.300 2.604 0 40 BFAB C[C@@H](CO)N[C@@H]1C[C@@H](c2ccccc2)C1(C)C 123464184 BUHSTDYMOSNGSY-FPMFFAJLSA-N 233.355 2.539 0 40 BFAB Cc1cc(C)cc(N[C@@H]2CCCC[C@@H]2N)c1 145311358 DAAMSTPRPNAJAZ-UONOGXRCSA-N 218.344 2.985 0 40 BFAB CCOC(=O)C1(c2cccc(C)c2C)CC1 258688520 YTGQUOHSANGLGH-UHFFFAOYSA-N 218.296 2.898 0 40 BFAB N[C@H]1C[C@@H]1c1ncc(C(F)(F)F)cc1Cl 1857794783 UDDWKFFJOZBNBR-FSPLSTOPSA-N 236.624 2.568 0 40 BFAB Nc1ccc2nc(-c3ccccc3)cn2c1 337733 PHDDXHPPDILYKP-UHFFFAOYSA-N 209.252 2.584 0 40 BFAB CCc1c(Cl)nc(Cl)nc1Cl 1694667 KMPDRUUXTSYMJD-UHFFFAOYSA-N 211.479 2.999 0 40 BFAB Fc1ccccc1Nc1nnc(S)s1 1722139 YLDUFJAYNMXNSY-UHFFFAOYSA-N 227.289 2.710 0 40 BFAB in-vitro CCCn1cnc2c(oc3ccccc32)c1=O 3007433 FYCGJANXNXZCDC-UHFFFAOYSA-N 228.251 2.553 0 40 BFAB c1ccc(CSc2cnns2)cc1 3844540 POVCGNAHSFQICQ-UHFFFAOYSA-N 208.311 2.830 0 40 BFAB biogenic CC(=O)Nc1nc2cc(C)cc(C)c2s1 4330734 LWSNFOIVUDOAGE-UHFFFAOYSA-N 220.297 2.872 0 40 BFAB NC(=O)CCn1c2ccccc2c2ccccc21 4535958 FQTNTFDBOLGLKZ-UHFFFAOYSA-N 238.290 2.670 0 40 BFAB CC(=O)c1ccc(SC(=O)N(C)C)cc1 5064797 HOQMOQRSJLHIOD-UHFFFAOYSA-N 223.297 2.663 0 40 BFAB O=C(NC12CC3CC(CC(C3)C1)C2)C1CCC1 5557327 DOJZNJFMLKSTPL-UHFFFAOYSA-N 233.355 2.872 0 40 BFAB CCOC(=O)[C@@H](CN(CC)CC)c1ccccc1 5573091 QMEDZONMWKZZIW-AWEZNQCLSA-N 249.354 2.675 0 40 BFAB CCCCC(=O)Nc1cccc(N)c1C 8703432 FNYSUJCJRUWAIE-UHFFFAOYSA-N 206.289 2.706 0 40 BFAB CCC[C@H](N[C@@H]1C=Cc2ccccc21)C(=O)O 8730648 KSKUMFZWVPHHSB-OLZOCXBDSA-N 231.295 2.597 0 40 BFAB NC(=O)c1ccc(-c2ccccc2)nc1Cl 11919490 AGOLUOUFAAUMOK-UHFFFAOYSA-N 232.670 2.501 0 40 BFAB CC(C)(C)Cc1nc2cc(N)ccc2o1 19486072 LDPJJOJJEJHGHR-UHFFFAOYSA-N 204.273 2.999 0 40 BFAB in-vitro NC(=O)c1cccc2c(Cl)cccc12 20136215 LHLWFLNMAYVRJG-UHFFFAOYSA-N 205.644 2.592 0 40 BFAB CC(C)NC(=O)N[C@H](C)c1ccc(F)cc1 20538295 IKTZCKINWDCUSW-SECBINFHSA-N 224.279 2.594 0 40 BFAB O=C(Nn1cnc2ccccc21)C1CCCCC1 21866626 FONFIDALFOFBLG-UHFFFAOYSA-N 243.310 2.687 0 40 BFAB CCOc1ccc(Oc2cc(CN)ccn2)cc1 22217738 OUSZMANGADYTAS-UHFFFAOYSA-N 244.294 2.731 0 40 BFAB OC1=Nc2n[nH]cc2[C@H](c2cccc(F)c2)C1 31809128 WSZHWYIMNDGGST-VIFPVBQESA-N 231.230 2.672 0 40 BFAB O=C(COc1ccc(F)cc1F)c1ccc[nH]1 32878694 VMSSNVIJSIILAN-UHFFFAOYSA-N 237.205 2.555 0 40 BFAB O=C(C[C@@H]1C=CCC1)N1CCc2sccc2C1 32883748 WQCSVIXNJMJPMA-LLVKDONJSA-N 247.363 2.989 0 40 BFAB O=C(O)c1csc(Nc2cccc(F)c2)n1 33507840 FURRDAGMYARYJM-UHFFFAOYSA-N 238.243 2.724 0 40 BFAB CC(C)Cn1c(CO)nc2cc(Cl)ccc21 40417664 AAGSNUZIMCOQET-UHFFFAOYSA-N 238.718 2.838 0 40 BFAB CCC(=O)N1CCC[C@@H]1c1ccsc1 40534460 NHOGSXSEOKVNTK-SNVBAGLBSA-N 209.314 2.822 0 40 BFAB Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 42372875 CFPYJKPMBBHLKE-QGZVFWFLSA-N 245.347 2.718 0 40 BFAB in-vitro Fc1ccc(COCCC2CCNCC2)cc1 42771943 HKVSVVONNBXFEM-UHFFFAOYSA-N 237.318 2.732 0 40 BFAB C[C@H]1CCCN(c2cccc(Cl)n2)C1 42783663 QEQOPCURLFSIEM-VIFPVBQESA-N 210.708 2.971 0 40 BFAB NCCCC1CCN(Cc2ccccc2)CC1 44281070 GHBYNMXBNLSPBE-UHFFFAOYSA-N 232.371 2.638 0 40 BFAB O=C(Nc1ccc(Cl)c(F)c1)C1CC1 49233040 ISPGWHINZMUYMH-UHFFFAOYSA-N 213.639 2.828 0 40 BFAB CCn1nc(C)c2ncnc(NC3CCCC3)c21 57280056 AFQOQADIFYDCHR-UHFFFAOYSA-N 245.330 2.509 0 40 BFAB CCO[C@H](c1ccccc1)C1CCNCC1 72207916 WGZAJWDHDXWVNE-CQSZACIVSA-N 219.328 2.764 0 40 BFAB CN1CCCC[C@@H]1c1cccnc1N1CCCC1 72215996 XLMQBMGCEIANSQ-CQSZACIVSA-N 245.370 2.839 0 40 BFAB CC[C@@H](OC)c1ccc(SCC(=O)O)cc1 72220264 YMSSUKWSOWPRKO-LLVKDONJSA-N 240.324 2.961 0 40 BFAB O=C(O)c1nc2ccccc2n1-c1ccccc1 75852097 NVZJJOPIXBEQHB-UHFFFAOYSA-N 238.246 2.724 0 40 BFAB O=C(O)c1oc2ccccc2c1OCC1CC1 96510802 LNFXANNCOUBSNC-UHFFFAOYSA-N 232.235 2.920 0 40 BFAB c1n[nH]nc1SCCCC1CCCC1 97014266 GKTVHOVWCLCBPZ-UHFFFAOYSA-N 211.334 2.867 0 40 BFAB COC1=N[C@@H]2C=Cc3ccccc3[C@H]1C=C2 101036178 CAXDTYIMWMMSFE-DGCLKSJQSA-N 211.264 2.780 0 40 BFAB Cc1occc1SCc1cc(=O)c(O)co1 131376661 UMDOTWLNHYIJPN-UHFFFAOYSA-N 238.264 2.539 0 40 BFAB Cc1cc(C)cc(N[C@@H]2CCC[C@@H]2N)c1 218884109 VZGRKBOUSFKNIP-QWHCGFSZSA-N 204.317 2.595 0 40 BFAB CO[C@@H](Cc1cccc(Cl)c1Cl)C(=O)O 225084051 MUDJOGSNCLWTTQ-QMMMGPOBSA-N 249.093 2.636 0 40 BFAB Cc1cc(C)nc(Oc2ccc3c[nH]nc3c2)n1 555952407 KCRFCUASWMOPLD-UHFFFAOYSA-N 240.266 2.762 0 40 BFAB COc1cccc2c(O)c(CC(C)C)c(O)nc12 685937358 QHNWISKTXUZQQT-UHFFFAOYSA-N 247.294 2.853 0 40 BFAB CC(C)c1c[nH]c2ccc(F)cc2c1=O 685938571 WIWDAAPINVEUSI-UHFFFAOYSA-N 205.232 2.791 0 40 BFAB CC(C)[C@@H]1COC(c2ccc(Cl)cn2)=N1 1988188024 KLSOXZAKXOXGIW-JTQLQIEISA-N 224.691 2.536 0 40 BFAB Cc1ccc(O[C@H](C)C(=O)N2CCCCC2)cc1 2759875 CCGSLGGHRAUPRF-CYBMUJFWSA-N 247.338 2.775 0 40 BFAB CN(Cc1ccccc1)C(=O)Cc1cccs1 5668543 RYXUQNNHNBPHSB-UHFFFAOYSA-N 245.347 2.949 0 40 BFAB Cc1cc(C)c2c(O)nn(C3CCCC3)c2n1 5730384 JHVQLMLQXWNVDX-UHFFFAOYSA-N 231.299 2.869 0 40 BFAB C[C@H](O)Cc1cccc(C(F)(F)F)c1 6021019 WNIKNSNYJWTSDT-ZETCQYMHSA-N 204.191 2.629 0 40 BFAB in-vitro CNC(=S)Nc1ccc2nc(C)sc2c1 6334380 POENJMDYWVVQCV-UHFFFAOYSA-N 237.353 2.521 0 40 BFAB CC[C@H](C(=O)O)n1c(C)cc2ccccc21 8702177 HIZNQKVIJSAJSL-LLVKDONJSA-N 217.268 2.985 0 40 BFAB Cc1ccccc1COC(=O)c1cccn1C 8944335 QGTQFBSSXKGPRT-UHFFFAOYSA-N 229.279 2.691 0 40 BFAB CC1(C)CO[C@H](c2ccccc2Cl)CN1 11803233 DFWMZTVATFWCIA-NSHDSACASA-N 225.719 2.780 0 40 BFAB in-vitro CCC(C)(CC)CCC(C(=O)OC)C(=O)OC 12359270 AIUDWMLXCFRVDR-UHFFFAOYSA-N 244.331 2.555 0 40 BFAB COc1c(C=O)cccc1C(F)(F)F 16158949 XBRULUWQNDWLMN-UHFFFAOYSA-N 204.147 2.527 0 40 BFAB in-vitro CCOc1cc(C(=O)O)ccc1O[C@H](C)CC 20217388 OHLVEOUAGHXTCY-SECBINFHSA-N 238.283 2.961 0 40 BFAB Cc1cc(C)cc(NC(=O)Nc2ccon2)c1 20345374 OKMNPQSVWAZSHJ-UHFFFAOYSA-N 231.255 2.935 0 40 BFAB Cc1cc(Cl)nc(N2CCC[C@@H](C)C2)n1 22073602 LTVQUKTXVMFZPW-MRVPVSSYSA-N 225.723 2.675 0 40 BFAB C[C@H](NC(=O)[C@@H]1C[C@@H]1C)c1cccs1 32986502 YQRNABVEFVCXDZ-XHNCKOQMSA-N 209.314 2.581 0 40 BFAB Cc1n[nH]cc1CNCCc1ccc(Cl)cc1 36901573 BTZCCVVBYMGXQZ-UHFFFAOYSA-N 249.745 2.704 0 40 BFAB CCOC(=O)c1cc(O)c2ccccc2c1 39390776 QMCMRBCASLXWFT-UHFFFAOYSA-N 216.236 2.722 0 40 BFAB in-vitro CCC(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C 40165603 NVPIZJXQORKXJD-CYBMUJFWSA-N 245.326 2.786 0 40 BFAB Cc1cc(OC[C@@H]2CCNC2)cc(C)c1Cl 42772964 ZZXXBVMRPXYBTQ-LLVKDONJSA-N 239.746 2.945 0 40 BFAB CC(C)CCC(=O)N1CCO[C@H]2CCCC[C@@H]21 46488803 WHQLYCLIFYTQKW-STQMWFEESA-N 239.359 2.593 0 40 BFAB c1ccc2c(c1)ncn1nc(-c3ccoc3)nc21 58047131 IJTHTOQRONDHEA-UHFFFAOYSA-N 236.234 2.538 0 40 BFAB C/C=C/C=C/C(=O)N(CCOC)C1CCCC1 69371505 ZJSAUFDTTWYFEL-COBAKMAKSA-N 237.343 2.536 0 40 BFAB Cc1c(F)cccc1-c1ccc(CCN)o1 70452805 MJGMDXCNFPSCKF-UHFFFAOYSA-N 219.259 2.895 0 40 BFAB O=C(O)C1(c2ccccc2C(F)(F)F)CC1 75934292 CQKNWCFXZVEBEO-UHFFFAOYSA-N 230.185 2.822 0 40 BFAB CC(C)N(CC(=O)O)[C@H](C)c1ccc(F)cc1 79421356 XUNCWICKWOIFFU-SNVBAGLBSA-N 239.290 2.682 0 40 BFAB CC[C@H](C)[C@@H](C)Nc1nc(CC(=O)O)cs1 87665285 ZIIIKLCUTXJLGP-JGVFFNPUSA-N 242.344 2.617 0 40 BFAB C1CC[C@@H]2[C@H](C1)CCN2c1nc(C2CC2)no1 89818730 NPCVOFCJMBTDJU-MWLCHTKSSA-N 233.315 2.716 0 40 BFAB C[C@H]1C[C@@H](N[C@@H]2C=C[C@H](CO)C2)CC(C)(C)C1 89920169 ZULKVVQKRQNOIE-IGQOVBAYSA-N 237.387 2.728 0 40 BFAB CCOC[C@H](C)N[C@H](C)[C@@H]1COc2ccccc21 90845663 OWDFZDKWYLCZHR-SCRDCRAPSA-N 249.354 2.566 0 40 BFAB COc1ccc(CC(C)=O)c(Br)c1 95913024 MECCYIFJRSUBNN-UHFFFAOYSA-N 243.100 2.589 0 40 BFAB O=C(OC1CCC1)c1c[nH]nc1-c1ccccc1 96004185 WVVRMXSGAFHNKN-UHFFFAOYSA-N 242.278 2.786 0 40 BFAB COCCCN[C@@H](C)c1cccc(F)c1F 96492446 NLCXLIHAEKHIOD-VIFPVBQESA-N 229.270 2.652 0 40 BFAB Cc1nc(CN[C@@H]2CCCC[C@@H]2C(C)C)no1 97163497 ZNJPFFKEJCLXRX-VXGBXAGGSA-N 237.347 2.682 0 40 BFAB CC1CCC(NC(=O)C2[C@H]3[C@H]4CC[C@@H](C4)[C@H]23)CC1 107362185 GUDFDFJNQHENKZ-IVIZWCMDSA-N 247.382 2.973 0 40 BFAB O=C1CC[C@]2(CC2(F)F)c2ccccc21 1554713168 LNMSSDGCXRGHLG-NSHDSACASA-N 208.207 2.940 0 40 BFAB CC(C)CCOC(=O)Cc1ccccc1 393725 QWBQBUWZZBUFHN-UHFFFAOYSA-N 206.285 2.818 0 40 BFAB endogenous,in-man NC(=O)N(Cc1ccccc1)Cc1ccccc1 1670557 DLFSPRHQGAULBQ-UHFFFAOYSA-N 240.306 2.768 0 40 BFAB Nc1ccc(Cl)c(-c2ccc(CO)o2)c1 4298856 QFQCBVHVQWVUSQ-UHFFFAOYSA-N 223.659 2.675 0 40 BFAB CC[C@H](C)C(=O)Nc1nc2c(s1)CCC2 6394451 OIQYKQZAEZVCCS-ZETCQYMHSA-N 224.329 2.616 0 40 BFAB CCN(C(=O)c1ccoc1)c1ccccc1 6675927 HGZMXQWBEIWKIE-UHFFFAOYSA-N 215.252 2.946 0 40 BFAB Cc1ccc(OCC2CCNCC2)c(C)c1 14631431 FRGFABJGAGYUNQ-UHFFFAOYSA-N 219.328 2.682 0 40 BFAB C[C@@H](NN)c1ccc2c(c1)Cc1ccccc1-2 19402856 AGOBFZQLGJBPFS-SNVBAGLBSA-N 224.307 2.782 0 40 BFAB CC(=O)CCc1c[nH]c2c(F)cccc12 20269291 FEAIIXVQLJMWQS-UHFFFAOYSA-N 205.232 2.829 0 40 BFAB C[C@H]1C[C@H]1C(=O)Nc1cnc2ccccc2c1 25714014 VGJRYMJZMWCPAD-JOYOIKCWSA-N 226.279 2.829 0 40 BFAB Cc1c(N)cc(-c2ccc(CO)o2)cc1Cl 26508640 LQRAPRYXTJZBRF-UHFFFAOYSA-N 237.686 2.983 0 40 BFAB Cc1nc(/C=C/C(=O)NCCC(C)C)cs1 32888179 QAOZMZOEQWCUEU-SNAWJCMRSA-N 238.356 2.627 0 40 BFAB O=C(O)CCC(=O)c1csc2ccccc12 34973433 FDRBYNKJXWUFJO-UHFFFAOYSA-N 234.276 2.949 0 40 BFAB CC(C)(C)[C@H]1CNC[C@@H](c2ccccc2)O1 35285306 LEJLDMGOVXXGDZ-QWHCGFSZSA-N 219.328 2.762 0 40 BFAB CC[C@@H](NC(=O)CCCC(=O)O)c1ccccc1 35670712 GWQOXIAEOSDOLI-GFCCVEGCSA-N 249.310 2.509 0 40 BFAB CCOC(=O)CC(=O)c1ccc(Cl)cc1F 38351642 QRRFIUQAXZIQMH-UHFFFAOYSA-N 244.649 2.615 0 40 BFAB Cc1ccc([C@@H](O)c2ccc3c(c2)OCO3)s1 40242261 SMENCYJFBWDOPB-ZDUSSCGKSA-N 248.303 2.867 0 40 BFAB CS[C@H](C)C(=O)N(C)Cc1sccc1C 42848125 AGUINXCCNBGPQM-SECBINFHSA-N 243.397 2.766 0 40 BFAB Cc1cccc(C(=O)C[C@@H](C)CC(=O)O)c1C 43214292 GFSARUVAIABOEI-SECBINFHSA-N 234.295 2.987 0 40 BFAB C[C@H](CNC[C@H]1CCCN(C)C1)c1ccccc1 44534337 BYNMIHNXJRUOBA-HUUCEWRRSA-N 246.398 2.722 0 40 BFAB CCC[C@H](C)NC[C@@H](C)C(=O)OC(C)(C)C 47219015 ZYJPKZJOIAGTIK-MNOVXSKESA-N 229.364 2.742 0 40 BFAB CNC[C@@H]1C[C@H]1c1ccccc1Br 54588796 ASUJGSATSLOOJP-WCBMZHEXSA-N 240.144 2.772 0 40 BFAB Cc1nc(COc2cccc(Cl)c2)no1 69566231 PXPQFTSASBEDFR-UHFFFAOYSA-N 224.647 2.610 0 40 BFAB C[C@@H](CC(=O)Nc1ccccc1)[C@H]1CCCCN1 72208226 QELAURNVUVCCQN-GXTWGEPZSA-N 246.354 2.793 0 40 BFAB Cc1nc(N(C)C)ccc1[C@@H](N)c1ccccc1 72224157 KTEFFASJWRBOTP-HNNXBMFYSA-N 241.338 2.504 0 40 BFAB C[C@H](O)c1ccc(Oc2ccccc2)nc1 72225177 XACDOGRKFVHPGS-JTQLQIEISA-N 215.252 2.927 0 40 BFAB CSc1nc2ccccc2c(C)c1N 75605149 HUGQPSWFGJJGLR-UHFFFAOYSA-N 204.298 2.847 0 40 BFAB C[C@@H](O)c1ccc(Br)c(F)c1 79112732 JFJHYEIFGRXLFR-RXMQYKEDSA-N 219.053 2.642 0 40 BFAB in-vitro Cc1nc(NCc2ccccn2)nc(Cl)c1C 82502054 XYHROOFURNWQEN-UHFFFAOYSA-N 248.717 2.754 0 40 BFAB O=C1N[C@H]2CCCN2c2c1sc1ccccc21 89872958 CWFRVRTYSVMVLI-SNVBAGLBSA-N 244.319 2.571 0 40 BFAB Sc1ccc(COC[C@H]2CCCO2)cc1 95738787 ZTMAHJKEJBGFJR-LLVKDONJSA-N 224.325 2.671 0 40 BFAB Fc1cc(-n2ccnc2)ccc1Br 95915949 MZEHQEFZPDUFQC-UHFFFAOYSA-N 241.063 2.774 0 40 BFAB NC[C@H]1CCCCN1CC1(c2ccccc2)CC1 96523582 GWNXUDVTZDWXEF-OAHLLOKOSA-N 244.382 2.531 0 40 BFAB CC[C@H](C(=O)O)[C@@H]1CCN(Cc2ccccc2)C1 96963675 LEKMNFWFDOYZRS-KGLIPLIRSA-N 247.338 2.619 0 40 BFAB CNc1cccc(C)c1Br 106877752 VAGSRWYSVFVIME-UHFFFAOYSA-N 200.079 2.799 0 40 BFAB NCCCCCN1CC[C@H]2CCCC[C@@H]2C1 108286821 VXEUCYLCEJAUIV-ZIAGYGMSSA-N 224.392 2.628 0 40 BFAB N=C(N)Cc1ccccc1-c1ccccc1 142246448 BWSKMLZUZBOOPF-UHFFFAOYSA-N 210.280 2.832 0 40 BFAB Cc1cc(NCCCN)c2c(C)ccc(C)c2n1 222685364 GZEXEHAQCWEVJD-UHFFFAOYSA-N 243.354 2.921 0 40 BFAB COc1ccc(CNCc2ccc(C)n2C)cc1 226019010 QWAZNEWRCKEFON-UHFFFAOYSA-N 244.338 2.632 0 40 BFAB COC(=O)c1cccc2c(C(C)(C)C)noc12 228942619 KAZRKHLTMPYPFO-UHFFFAOYSA-N 233.267 2.912 0 40 BFAB Cc1cccc(N2CCC[C@@H]2c2ccncn2)n1 257206960 BFQSJXPNHLREPE-CYBMUJFWSA-N 240.310 2.522 0 40 BFAB CC(C)C(CN(C)[C@H](C)C[S@](C)=O)C(C)C 330031838 DUWJUYBZBJPSCE-WBMJQRKESA-N 247.448 2.613 0 40 BFAB Cc1ncc(-c2nnc(C(F)F)o2)cc1F 1857794391 WLINDKNEGARWCI-UHFFFAOYSA-N 229.161 2.517 0 40 BFAB Cc1ncn(-c2ccc(Cl)c(C)c2)n1 2362803557 KSZRPJXVSUGHOZ-UHFFFAOYSA-N 207.664 2.538 0 40 BFAB COc1ccc(Cn2nc(C)cc2C)cc1OC 393309 CIYDNTGSCGFZQS-UHFFFAOYSA-N 246.310 2.565 0 40 BFAB CCC(=O)Cc1ccc(OC(C)C)cc1 506360 APKOFQUONYDRRO-UHFFFAOYSA-N 206.285 2.995 0 40 BFAB CSc1nc2ccc(NC(C)=O)cc2s1 1573691 BEPYUFQKUWBKDI-UHFFFAOYSA-N 238.337 2.977 0 40 BFAB COCCNc1ccnc2c(Cl)cccc12 1778809 BLGRKRBYZXUSJC-UHFFFAOYSA-N 236.702 2.947 0 40 BFAB O=C(NCCCCc1ccccc1)C(F)(F)F 2737847 OYCUUTDAXGYQHU-UHFFFAOYSA-N 245.244 2.688 0 40 BFAB N[C@H](c1ccc(F)cc1)c1cccs1 4207003 BOGWHDQPKMAKPT-LLVKDONJSA-N 207.273 2.935 0 40 BFAB CC1(C)CN=C(SCc2ccccc2)NC1 4554245 WFSQXDKLEKDBLT-UHFFFAOYSA-N 234.368 2.905 0 40 BFAB CC(=O)N(C)C[C@H]1[C@@H](C)C=C(C)C[C@@H]1C 4718858 COCCDELCQAVHHZ-GVXVVHGQSA-N 209.333 2.703 0 40 BFAB COc1ccccc1NC(=O)Cc1ccsc1 6339739 ZSXCAXXBVKWYRT-UHFFFAOYSA-N 247.319 2.938 0 40 BFAB Cc1cccc(CNC(=O)/C=C/c2ccco2)c1 12903478 AULIRFXIIPDRGB-BQYQJAHWSA-N 241.290 2.918 0 40 BFAB CC(=O)Nc1cccc2c(C)ccnc12 13281515 GLUUPOIYMXBXNR-UHFFFAOYSA-N 200.241 2.502 0 40 BFAB C[C@@H]1C[C@@H]1C(=O)Nc1ccccc1Cl 14373331 JUIGCSWMUCBRRG-SFYZADRCSA-N 209.676 2.935 0 40 BFAB CCOc1cccc(C2CCNCC2)c1 14629052 VDNHZDJFNHSMQX-UHFFFAOYSA-N 205.301 2.552 0 40 BFAB in-vitro FC(F)(F)c1cccc(O[C@H]2CCCNC2)c1 14631697 AFCIGAUDFUCOEQ-NSHDSACASA-N 245.244 2.836 0 40 BFAB C/C=C/C=C/C(=O)Nc1ccc(C(C)=O)cc1 15540533 DZJGJWIIBZDSOJ-VNKDHWASSA-N 229.279 2.960 0 40 BFAB CCCC12CN3CN(C1)CC(CCC)(C3)C2 19320147 QXMFOSKFAOIOTH-UHFFFAOYSA-N 222.376 2.552 0 40 BFAB biogenic CCOCCCNC1CCC(CC)CC1 19962799 VMHAJGRQLRMWBM-UHFFFAOYSA-N 213.365 2.971 0 40 BFAB Cc1ccc(C(=O)N[C@@H](C)c2ccncc2)s1 27405058 IBYRECJFVAEECL-JTQLQIEISA-N 246.335 2.943 0 40 BFAB Cc1ccc(S[C@@H](C)C(=O)N(C)C)cc1 31852064 DKGQGUHWZZIRPZ-JTQLQIEISA-N 223.341 2.564 0 40 BFAB COc1ccccc1NC(=O)CC[C@H]1CCCO1 31872451 GJYVEFWWLRYXBU-LLVKDONJSA-N 249.310 2.593 0 40 BFAB COc1cncc(-c2cccc(NC(C)=O)c2)c1 32534825 GUYCMYJPOJJUTH-UHFFFAOYSA-N 242.278 2.716 0 40 BFAB O=C(O)/C=C(\c1ccccc1)C(F)(F)F 33294725 IZLDRXUDBMVNKB-SOFGYWHQSA-N 216.158 2.717 0 40 BFAB in-vitro CC(C)CC(=O)Nc1cccc2nsnc12 35672779 GFJXLRYDIXLPMR-UHFFFAOYSA-N 235.312 2.676 0 40 BFAB Cc1cnc(Nc2cccc(O)c2)s1 36241783 CNBIXXQQXGANHS-UHFFFAOYSA-N 206.270 2.901 0 40 BFAB Cc1ccccc1-c1c(C(F)(F)F)n[nH]c1N 36935256 HLUXVFOSZAWCMX-UHFFFAOYSA-N 241.216 2.986 0 40 BFAB Cc1ccc(NCc2cccnc2)c(N)c1 37401312 DOGYYZCCOPLGPO-UHFFFAOYSA-N 213.284 2.584 0 40 BFAB O=c1[nH]c2cc(C(F)(F)F)ccc2s1 45237648 GQCXVFULKHJLAY-UHFFFAOYSA-N 219.187 2.608 0 40 BFAB Cc1cccc(-c2nc(C(=O)O)co2)c1C 51075336 GVRVQGKHBMAJKM-UHFFFAOYSA-N 217.224 2.657 0 40 BFAB CCc1nnc(SCC(=O)c2ccccc2)o1 59217590 IASATVOZCWJDJO-UHFFFAOYSA-N 248.307 2.607 0 40 BFAB C[C@H](c1nc2ccccc2s1)[C@@H](C)O 63039735 IPIQXWOAAIBYKG-JGVFFNPUSA-N 207.298 2.781 0 40 BFAB in-vitro c1cc(N2CCCCCC2)ncc1[C@H]1CCCN1 72216625 LNJZEMJKRKGQSZ-CQSZACIVSA-N 245.370 2.887 0 40 BFAB COCCN1CCc2sccc2[C@H]1C1CC1 72350994 JDWAELZTSBCRGH-CYBMUJFWSA-N 237.368 2.704 0 40 BFAB COc1cccc([C@H](C)OC(=O)C2CC2)c1 84656252 LJJAJSLKWHEJAU-VIFPVBQESA-N 220.268 2.709 0 40 BFAB CCCCc1nc(CC(=O)OCC)cs1 87665025 WHJSCMOOZYZBGR-UHFFFAOYSA-N 227.329 2.591 0 40 BFAB Cc1ccc(=O)n(CCCC2CCCC2)n1 89610829 KQQCPJGHENLRFZ-UHFFFAOYSA-N 220.316 2.522 0 40 BFAB O=C(OCc1nc(C2CC2)cs1)c1ccoc1 91142102 WPMABYJRXDOBCH-UHFFFAOYSA-N 249.291 2.971 0 40 BFAB COc1ccccc1OCc1ccccn1 95350378 BWADOYZITPPVMN-UHFFFAOYSA-N 215.252 2.669 0 40 BFAB ClC(Cl)(Br)Br 95669536 IHUREIPXVFKEDT-UHFFFAOYSA-N 242.725 2.865 0 40 BFAB in-man CC(C)COc1cc([C@@H](C)O)ccc1F 95739614 ROBMCDARKHHRPN-SECBINFHSA-N 212.264 2.914 0 40 BFAB FC(F)(F)C(F)(F)SC[C@H]1CCCN1 95918415 AHLWNWSMOWSOBU-RXMQYKEDSA-N 235.221 2.627 0 40 BFAB CCSc1cccc(N[C@@H]2CCOC2)c1 95971954 SWGOIJQOXHAYIY-LLVKDONJSA-N 223.341 2.999 0 40 BFAB CCOC(=O)c1c(C)c2ccc(OC)cc2n1C 96345919 VXPAMODDEMHLGM-UHFFFAOYSA-N 247.294 2.672 0 40 BFAB Nc1ccc(CN2CCOc3ccccc32)cc1 118300521 MQZWUKLQJTXJOL-UHFFFAOYSA-N 240.306 2.668 0 40 BFAB C[C@H](O)C[C@@H](C)CN[C@@H]1CC[C@@H](C)[C@@H](C)C1 195565648 IQXHOTIPBGZYRD-PEBLQZBPSA-N 227.392 2.808 0 40 BFAB Cc1cc(NCCCN)c2cc(Cl)ccc2n1 222687418 HMOWZOQMHFGADD-UHFFFAOYSA-N 249.745 2.957 0 40 BFAB Fc1cc(C(F)(F)F)cc2[nH]cnc12 258828063 DYJJOZIDJMWEAB-UHFFFAOYSA-N 204.126 2.721 0 40 BFAB CC(C)=C(F)[C@@H]1CC(C)=C(F)[C@H](O)O1 261828103 AGNVOCRJMUANDV-OIBJUYFYSA-N 204.216 2.601 0 40 BFAB O=Cc1cnc(Cl)c(Cl)c1Cl 642814802 XYKRUZCUMUJXAX-UHFFFAOYSA-N 210.447 2.854 0 40 BFAB OCc1cc(C2CC2)nc2cccc(F)c12 685936939 GERNQLAZLHHLOR-UHFFFAOYSA-N 217.243 2.744 0 40 BFAB Cc1sc2ncn(CC(C)C)c(=O)c2c1C 144720 BFMCZBUKKHSLTQ-UHFFFAOYSA-N 236.340 2.731 0 40 BFAB C1=[N+](c2ccccc2)CCN1c1ccccc1 1719549 BZTGJRQZNLQZLF-UHFFFAOYSA-N 223.299 2.879 0 40 BFAB O=S(=O)(C1CCCCC1)C1CCCC1 1725640 BGKLUBUZTJGKJZ-UHFFFAOYSA-N 216.346 2.677 0 40 BFAB CC(C)c1cccc2cc(F)c(=O)[nH]c12 2386536 UYUINUGGVVAESE-UHFFFAOYSA-N 205.232 2.791 0 40 BFAB CCc1ccc(Nc2ncnc3[nH]cnc23)cc1 2719590 MBYJLFVZNNIGBA-UHFFFAOYSA-N 239.282 2.659 0 40 BFAB Brc1ccc(C[C@H]2CCCN2)cc1 3732346 PRNKZLSWJHKYQX-LLVKDONJSA-N 240.144 2.744 0 40 BFAB in-vitro CC[C@H](C)n1nc(O)c2c(C)cc(C)nc21 4416007 BBGUJTVOVKTZKP-VIFPVBQESA-N 219.288 2.725 0 40 BFAB Oc1ccc2ccc(C(F)(F)F)nc2c1 6320807 UWBLTDHXQBGGNX-UHFFFAOYSA-N 213.158 2.959 0 40 BFAB Cc1cccc(-c2ncc(/C=C/C(=O)O)cn2)c1 8730982 BDERJIJASNEZAO-AATRIKPKSA-N 240.262 2.550 0 40 BFAB COc1ccc(/C(=C/C(=O)O)C2CC2)cc1OC 11628551 QNTOXILJSLYTEG-DHZHZOJOSA-N 248.278 2.582 0 40 BFAB CC(C)C(=O)N1CCCCC[C@@H]1c1cnn(C)c1 19085711 YRLQUKLIFNEKTN-CYBMUJFWSA-N 249.358 2.520 0 40 BFAB C1CCC(N2CCN([C@H]3C[C@H]4CC[C@@H]3C4)CC2)C1 19831961 DNNZFCPRPFOCHG-LZWOXQAQSA-N 248.414 2.735 0 40 BFAB CC(=O)CCc1c[nH]c2ccc(C)cc12 20269285 KFKRTNIEJPCFBP-UHFFFAOYSA-N 201.269 2.998 0 40 BFAB CC(C)CC(=O)Nc1cc(N)ccc1Cl 20343040 DWGFCBUKVVCQHT-UHFFFAOYSA-N 226.707 2.907 0 40 BFAB CCc1cc(C(F)(F)F)c2cnn(C)c2n1 20605129 PQZAARNMBIORQZ-UHFFFAOYSA-N 229.205 2.550 0 40 BFAB Clc1nsc(NC2CCCCC2)n1 24767644 XJMPHZSZXKGCHF-UHFFFAOYSA-N 217.725 2.936 0 40 BFAB N[C@H]1CCc2[nH]c3ccc(Cl)cc3c2C1 34032182 BODQGEOXSNZRGK-QMMMGPOBSA-N 220.703 2.637 0 40 BFAB in-vitro COc1cccc(Cn2c(C)cc(CN)c2C)c1 34936151 MHYHLBSDJNYKLF-UHFFFAOYSA-N 244.338 2.621 0 40 BFAB CCCCNCc1cc(C)ccc1OC 35161757 UWXCWAQEWPMLFM-UHFFFAOYSA-N 207.317 2.893 0 40 BFAB O=Cc1ccc(-c2ccnc(Cl)n2)cc1 38580114 OASQWTRHGGCCKG-UHFFFAOYSA-N 218.643 2.610 0 40 BFAB CCn1c(C)cc(=O)c2cc(C)cc(C)c21 40164108 GSCAUOPHIYSNBE-UHFFFAOYSA-N 215.296 2.947 0 40 BFAB Cc1ccc(NCCc2n[nH]c(C(C)C)n2)cc1 41161381 CTPBNKQWNDKKGR-UHFFFAOYSA-N 244.342 2.891 0 40 BFAB Cc1ccccc1-c1ncccc1C(=O)O 41226816 QJMCCUBNJZXTNN-UHFFFAOYSA-N 213.236 2.755 0 40 BFAB CC[C@@H](C)c1ccccc1O[C@@H]1CCNC1 42776223 KJHPKZFUUPNMPR-VXGBXAGGSA-N 219.328 2.941 0 40 BFAB COCC(=O)c1cc(C)c(Cl)c(C)c1 43504725 SRHOSUANLVOKOQ-UHFFFAOYSA-N 212.676 2.786 0 40 BFAB COC[C@@H](C)NC1CCC(C(C)C)CC1 54554378 JKUDMSYCRMYLNH-PNESKVBLSA-N 213.365 2.826 0 40 BFAB C[C@H](N)c1nc2cc(Cl)c(Cl)cc2[nH]1 62152792 ZCWJKEZMWZLCBF-BYPYZUCNSA-N 230.098 2.889 0 40 BFAB CC(C)Cn1cc(CCN)c2ccccc21 62950682 SHOMXTXRVJVJSN-UHFFFAOYSA-N 216.328 2.799 0 40 BFAB CC[C@H](C)NC(=O)NCCCNc1ccccc1 65529128 PEESPVBHPIXWIL-LBPRGKRZSA-N 249.358 2.586 0 40 BFAB CCCCS[C@H](C)C(=O)Nc1cc(C)n[nH]1 71904776 DXZIBWHSIXIWGU-SECBINFHSA-N 241.360 2.578 0 40 BFAB CCN1CCCC[C@@H]1c1cccc(C)n1 72211093 SIEIWTTUOGNWLC-CYBMUJFWSA-N 204.317 2.937 0 40 BFAB c1cc(N2CCCCC2)ncc1C1=NCCC1 72216023 DUYZBEIOBNLFLC-UHFFFAOYSA-N 229.327 2.655 0 40 BFAB OCC1(c2cc(-c3ccccc3)on2)CCC1 72220655 OBDIAHRNBRMHNF-UHFFFAOYSA-N 229.279 2.756 0 40 BFAB C[C@@H](O)c1ccc(N(C)Cc2ccccc2)nc1 72225368 OFVNQAMBALRXTR-GFCCVEGCSA-N 242.322 2.771 0 40 BFAB Cc1ccc(N2CCC[C@@H]2c2ccccn2)nn1 72357419 YCHGLTRJSZRJGW-CYBMUJFWSA-N 240.310 2.522 0 40 BFAB CC(C)N(Cc1ccccc1)[C@H]1CCCNC1 79437967 BVHFAXPBYLIMEG-HNNXBMFYSA-N 232.371 2.649 0 40 BFAB CC(=O)c1cc2c(cc1O)OC(C)(C)CC2 82288481 ZGIPZUGDKRTAHH-UHFFFAOYSA-N 220.268 2.698 0 40 BFAB CCCCOc1cc(F)c(C(=O)O)c(F)c1 91252016 CSCQGLAJIXARHJ-UHFFFAOYSA-N 230.210 2.842 0 40 BFAB Cc1cc(OC(F)(F)F)ccc1CCC(=O)O 91252057 LNOAXHKIMRSNOJ-UHFFFAOYSA-N 248.200 2.911 0 40 BFAB CCc1ccc([C@H](CN)N2CCCCC2)cc1 95098739 XIQKJYFHHNPIPQ-HNNXBMFYSA-N 232.371 2.735 0 40 BFAB Cc1cccc(N[C@@H](C)C[C@H](O)c2ccco2)n1 97096513 FUMYGTDTCJEEJB-RYUDHWBXSA-N 246.310 2.907 0 40 BFAB O=C(O)[C@@H]1C[C@H]1c1cccc(Cl)c1F 125064397 SBNZLYNJIDZCIL-NKWVEPMBSA-N 214.623 2.667 0 40 BFAB OC[C@H]1C=C[C@@H](N[C@H]2CCCc3sccc32)C1 195558611 XHQCUWSSCSDLQE-LOWVWBTDSA-N 249.379 2.652 0 40 BFAB CNCc1cccn1-c1cccc(C)c1C 223680245 QMYVDLPIGUKMQU-UHFFFAOYSA-N 214.312 2.814 0 40 BFAB Cc1cc(-n2cccc2CO)ccc1Cl 223725945 DPJFSDNUMVHEKH-UHFFFAOYSA-N 221.687 2.931 0 40 BFAB N[C@H]1CN(c2ccccc2)[C@H]1c1ccccc1 224239569 VVQBLBPWBQUFOS-GJZGRUSLSA-N 224.307 2.575 0 40 BFAB Cc1ccccc1C(=O)Nc1nccs1 59851 UOJCOUIZCYPYTH-UHFFFAOYSA-N 218.281 2.704 0 40 BFAB O=C1CS[C@@H](c2ccc(Cl)c(Cl)c2)N1 99919 BVOSQEUUTGDSKB-VIFPVBQESA-N 248.134 2.855 0 40 BFAB Cn1c(-c2cccnc2)nc2ccccc21 230246 GTHVCNAHJZPIII-UHFFFAOYSA-N 209.252 2.635 0 40 BFAB CC(=O)c1cc2c(cc1O)OC(C)(C)C=C2 897926 SVUVYHFYZBCYRF-UHFFFAOYSA-N 218.252 2.779 0 40 BFAB biogenic,in-vitro Cc1ccccc1C(=O)N1CCCCC1 1670471 DLGFQQDLYPWJAG-UHFFFAOYSA-N 203.285 2.621 0 40 BFAB CCCCSc1ncc(C)c(N(C)C)n1 1681357 IYPVYKMSACLHTI-UHFFFAOYSA-N 225.361 2.743 0 40 BFAB COc1ccc(-c2ccc(C=O)cn2)c(OC)c1 2527585 HGSSNRYEJPADNF-UHFFFAOYSA-N 243.262 2.578 0 40 BFAB CC(C)[C@H]1OC(=O)[C@@H]2CC[C@@]1(C)OC2(C)C 3845875 VZOMVQNIIPKADB-OPQQBVKSSA-N 226.316 2.532 0 40 BFAB CC(C)[C@@H]1OC(=O)[C@@H]2CC[C@@]1(C)OC2(C)C 3845876 VZOMVQNIIPKADB-OUJBWJOFSA-N 226.316 2.532 0 40 BFAB O=[S@](C[C@@H](O)c1ccccc1)c1ccccc1 5104731 HDGGJVKMRKWGGQ-PBHICJAKSA-N 246.331 2.528 0 40 BFAB C[C@@H]1CC(=O)CC[C@@H]1OCc1ccccc1 6409394 VSVQOQRPJLWUPY-RISCZKNCSA-N 218.296 2.961 0 40 BFAB COC(=O)CS[C@@H](C)c1ccccc1 6437475 ABECNFMZWQOJKA-VIFPVBQESA-N 210.298 2.654 0 40 BFAB Cc1noc(C)c1CNCc1ccccc1 6938112 JRARSRLVBFMKLU-UHFFFAOYSA-N 216.284 2.581 0 40 BFAB CCCCn1cnc2c([nH]c3ccccc32)c1=O 8672402 ZGLKUSLXYSNJLK-UHFFFAOYSA-N 241.294 2.678 0 40 BFAB CCCCCNC(=O)c1cccc(NC(C)=O)c1 9314626 MVAUMNHKNRFHRG-UHFFFAOYSA-N 248.326 2.565 0 40 BFAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)O 9738287 QLYPBEHDVISVBV-UHFFFAOYSA-N 241.312 2.739 0 40 BFAB CC(C)NC(=O)N[C@@H](C)c1ccccc1F 12986643 QTDNCRDRTIAMQB-VIFPVBQESA-N 224.279 2.594 0 40 BFAB CCOc1ccc(N)cc1C(=O)OC1CCCC1 20155764 QZJMCNRNCITFKX-UHFFFAOYSA-N 249.310 2.767 0 40 BFAB CC[C@H](CO)N[C@H]1C[C@@H](C)CC(C)(C)C1 20195697 XEXOMIQOZCEMST-UTUOFQBUSA-N 213.365 2.562 0 40 BFAB Cc1[nH]c2ccc(OC(C)C)cc2c1CCN 26510808 CHXOSCREQDBPEE-UHFFFAOYSA-N 232.327 2.765 0 40 BFAB Cc1cc2[nH]c(C3CCNCC3)nc2cc1Cl 27759951 BQGVHBKJDPWIDO-UHFFFAOYSA-N 249.745 2.992 0 40 BFAB Cc1ccc([C@H](C)NC(=O)C2CCCC2)o1 32721744 BHLUDVSDPKHETM-JTQLQIEISA-N 221.300 2.955 0 40 BFAB Cc1ccc(CN(C)C(=O)c2ccoc2C)o1 32747904 QSCGLWPZJMCENJ-UHFFFAOYSA-N 233.267 2.762 0 40 BFAB CCNCc1ccccc1O[C@H](C)CC 34658627 NYCAHJCRVKCLDY-LLVKDONJSA-N 207.317 2.973 0 40 BFAB CC1CCN(C(=O)CCc2cccs2)CC1 36140418 OTUGTSHZIKSZDZ-UHFFFAOYSA-N 237.368 2.939 0 40 BFAB CC(=O)c1ccc(C(=O)C(F)(F)F)cc1 36533781 FCHCYEDIAATYDX-UHFFFAOYSA-N 216.158 2.634 0 40 BFAB in-vitro COCCCn1c(=S)[nH]c2ccccc21 36926711 PTWVNHCOJAPTRN-UHFFFAOYSA-N 222.313 2.735 0 40 BFAB C[C@H](CN)c1ccccc1C(F)(F)F 37245844 DCNZANLJRMZXRU-SSDOTTSWSA-N 203.207 2.768 0 40 BFAB O=C(O)CC1(c2ccc(Cl)cc2)CC1 41225175 JUOJLGOJCZJURD-UHFFFAOYSA-N 210.660 2.846 0 40 BFAB CCOC(=O)c1cc(N)c(Cl)c(Cl)c1 42289839 XQDJOSYJPGCMCL-UHFFFAOYSA-N 234.082 2.752 0 40 BFAB CC(C)(C)c1ccccc1OC[C@H]1CCNC1 42772455 QVRWDQAEMGYTEN-LBPRGKRZSA-N 233.355 2.972 0 40 BFAB Cc1nccc2c(Br)c[nH]c12 44713157 HGIOZWPMBNFOED-UHFFFAOYSA-N 211.062 2.634 0 40 BFAB in-vitro O=C(O)C12CCC(C(F)(F)F)(CC1)CC2 47845110 YQTHRFIEKUQOBI-UHFFFAOYSA-N 222.206 2.974 0 40 BFAB CCCc1ccc(-c2cc(C)nc(N)n2)cc1 52837907 SACXPTNZEJPCAA-UHFFFAOYSA-N 227.311 2.987 0 40 BFAB CNC[C@H]1C[C@H]1c1ccc(Br)cc1 54588606 KWWGPEVMZRIDED-KOLCDFICSA-N 240.144 2.772 0 40 BFAB CN(C)Cc1cccc(SC(=O)N(C)C)c1 68592421 MWIXTTINIZSBDE-UHFFFAOYSA-N 238.356 2.522 0 40 BFAB in-vitro CSc1nc(=O)c2c(C(C)C)csc2[nH]1 69980816 VBMZGWBRLUWMOW-UHFFFAOYSA-N 240.353 2.830 0 40 BFAB Cc1cc(OCC(C)C)ccc1C(=O)O 71453480 VSODFLPOYKGWRP-UHFFFAOYSA-N 208.257 2.728 0 40 BFAB CCCN1CCC[C@@H]1c1cccnc1NC 72212537 XKIBPOPCTHPNDR-GFCCVEGCSA-N 219.332 2.670 0 40 BFAB CC(C)CNc1ncccc1[C@H]1CCCCN1 72213267 MMJOHVDPQJTHNX-CYBMUJFWSA-N 233.359 2.964 0 40 BFAB Cc1cc(N2CCCC2)ncc1C1=NCCC1 72218841 PHORXMWCWNFXSU-UHFFFAOYSA-N 229.327 2.573 0 40 BFAB CCCN(CCC)c1cc(C)c(C=O)cn1 72223276 PPHFUAVKQXYKOH-UHFFFAOYSA-N 220.316 2.829 0 40 BFAB CCN(CC(=O)O)c1ccc(Cl)cc1C 76612889 QFAGBCYFZRNMFG-UHFFFAOYSA-N 227.691 2.559 0 40 BFAB Cc1cc(Br)cnc1OC(C)C 90413420 FKPBYAWGLOPFDQ-UHFFFAOYSA-N 230.105 2.940 0 40 BFAB CC(C)(C)OC(=O)N1CC(=O)c2ccccc2C1 95635324 VDWNRRPJKYCCHY-UHFFFAOYSA-N 247.294 2.620 0 40 BFAB in-vitro CCc1ccc(C(=O)N(C)c2ccccn2)o1 98012567 FLGRNWBGWSDLKM-UHFFFAOYSA-N 230.267 2.514 0 40 BFAB CC(=O)NC12CC3C[C@@H]4C5CC(C[C@@H]41)C[C@@H]2[C@@H]5C3 100014030 XADNPTMHMQGTJZ-NEQHUBMPSA-N 245.366 2.583 0 40 BFAB CC(C)(C)OC(=O)N1CCC[C@H]2[C@H]1C2(F)F 100448653 HDWQLYOAWXSNNF-YUMQZZPRSA-N 233.258 2.651 0 40 BFAB CCC(=O)c1ccc(Cl)nc1Cl 148500155 RHUNWODRWWUWFH-UHFFFAOYSA-N 204.056 2.981 0 40 BFAB CC(=O)Oc1cccc(C(=O)C(C)(C)C)c1 163710343 FIEHNQOQPIJAPR-UHFFFAOYSA-N 220.268 2.841 0 40 BFAB CCOc1ccc([C@H](CC)NC)cc1OC 222638048 VRZXWSKXOLRUEQ-NSHDSACASA-N 223.316 2.764 0 40 BFAB CCN(CCCC(=O)O)c1cccc(C)c1C 224981941 WQACXKPYCYVIDN-UHFFFAOYSA-N 235.327 2.995 0 40 BFAB CCCn1cnc2c(Br)cncc21 225742011 LBMWTHCDBUOTIU-UHFFFAOYSA-N 240.104 2.604 0 40 BFAB CCOC(=O)c1cc(O)c(Cl)c(Cl)c1 307529047 OAPPTDAHFOZFRS-UHFFFAOYSA-N 235.066 2.876 0 40 BFAB CCC[C@]1(CC)NC(=S)N(c2ccccc2)N1 1245542 SUEZLMVGAMLNQK-CYBMUJFWSA-N 249.383 2.792 0 40 BFAB Cc1nc([C@H]2CC(=O)OC23CCCC3)cs1 1438871 URIFHMYOGJXZQG-SECBINFHSA-N 237.324 2.795 0 40 BFAB C[C@H]1OC(C)(Cc2ccccc2)O[C@@H]1C 1566550 HHUSYSVURIIUJI-GHMZBOCLSA-N 206.285 2.769 0 40 BFAB OC(=S)c1ccccc1Br 1578650 OFQUPAIEWXOKTE-UHFFFAOYSA-N 217.087 2.683 0 40 BFAB CCN(CC)CCCN1C[C@H]2CC=CC[C@@H]2C1 1682901 NVGQUWPDTMATND-HUUCEWRRSA-N 236.403 2.616 0 40 BFAB Cc1ccc(O)c(C(=O)NCc2ccccc2)c1 7608873 QFUVKFBKEKSETN-UHFFFAOYSA-N 241.290 2.631 0 40 BFAB Cc1cc(C)c2cc(CO)c(Cl)nc2c1 11727613 LNHSXHRPUHHWIF-UHFFFAOYSA-N 221.687 2.997 0 40 BFAB COC(=O)c1nc(-c2ccccc2)cs1 11764201 SUKMHNVAJGQKNL-UHFFFAOYSA-N 219.265 2.597 0 40 BFAB CC(=O)C(C/C=C/c1ccccc1)C(C)=O 18059982 PGEPOVPAPVUGAJ-RMKNXTFCSA-N 216.280 2.884 0 40 BFAB in-vitro Nc1cnccc1C(=O)Nc1cccc(Cl)c1 22073285 OWWDRLDMJGHWAU-UHFFFAOYSA-N 247.685 2.570 0 40 BFAB Nc1nc2c(s1)CCCc1ccccc1-2 22165291 NWKXBHRPLGONGL-UHFFFAOYSA-N 216.309 2.881 0 40 BFAB CCCC[C@H]1CN(Cc2ccccc2)CCN1 26898251 XESDITBVSGTNKQ-HNNXBMFYSA-N 232.371 2.651 0 40 BFAB CC[C@@H]1CCCCN1C(=O)c1cccc(C)n1 32909041 KWIFMOGKEQAIAT-GFCCVEGCSA-N 232.327 2.795 0 40 BFAB C[C@H]1CCCCN1Cc1nnsc1Cl 35165111 ULFCFALXUMIMCU-ZETCQYMHSA-N 231.752 2.566 0 40 BFAB CN(c1ccc(C(=O)O)cc1N)C1CCCCC1 37930463 CEKLGRFVGNJZBJ-UHFFFAOYSA-N 248.326 2.736 0 40 BFAB O=C1CCCc2onc(-c3ccccc3)c21 39209982 BULWOEVOVZGNII-UHFFFAOYSA-N 213.236 2.861 0 40 BFAB COC(=O)c1cc2cccc(C)c2nc1Cl 44199755 IORDVUFIGBKQKG-UHFFFAOYSA-N 235.670 2.983 0 40 BFAB COc1cccc(C(=O)c2ccnc(C)c2)c1 45038421 HRQRJPJBUYDREX-UHFFFAOYSA-N 227.263 2.630 0 40 BFAB CCC[C@H](C(=O)N(C)C)c1ccccc1 47651862 NYRQSGPYTNPIPM-LBPRGKRZSA-N 205.301 2.659 0 40 BFAB CCCc1noc(CN(CC)C2CCCC2)n1 47966536 AJPBPZJTUUECAN-UHFFFAOYSA-N 237.347 2.787 0 40 BFAB c1cc(CCN2CCCCCCC2)ccn1 65604143 VVMLARYYQMQIHG-UHFFFAOYSA-N 218.344 2.890 0 40 BFAB C[C@](CN)(c1ccccc1Cl)N1CCCC1 70453419 DZWWJEXSDSIEBT-ZDUSSCGKSA-N 238.762 2.610 0 40 BFAB Cc1noc([C@@H](C)SCc2cc(C)on2)n1 71818637 HZNACRXNSDJWME-SSDOTTSWSA-N 239.300 2.669 0 40 BFAB CC(C)CN1CCCC[C@@H]1c1cccnc1O 72212328 XWZOIRUPSXZCJF-CYBMUJFWSA-N 234.343 2.970 0 40 BFAB CNCc1ccc(Nc2ccccc2)nc1C 72224369 VPBJVBJOHQIDMQ-UHFFFAOYSA-N 227.311 2.853 0 40 BFAB CSc1ccc([C@@H](N)c2ccccc2)cn1 72225094 SBWFGOSLVRHKDT-ZDUSSCGKSA-N 230.336 2.852 0 40 BFAB CS[C@H]1CCC[C@@H]1Nc1nc(C)ns1 78447906 GCYBXOKIKZGWIF-YUMQZZPRSA-N 229.374 2.543 0 40 BFAB CCc1cccc2c(CC(=O)O)coc12 87968456 TVZMCWXSUDCUEB-UHFFFAOYSA-N 204.225 2.622 0 40 BFAB CC(C)[C@H](NC(N)=O)c1ccc(Cl)cc1F 97081119 VQLIMOISDRTMGW-JTQLQIEISA-N 244.697 2.845 0 40 BFAB CCc1cc(Br)c(F)c(C=O)c1 141839714 KBMGKCHCYMBTMA-UHFFFAOYSA-N 231.064 2.963 0 40 BFAB Cc1cccc([C@@H](NN)c2ccccc2)c1 161806169 YMSVFDYQEUMOAO-AWEZNQCLSA-N 212.296 2.548 0 40 BFAB O[C@]1(C(F)(F)F)CCc2ccc(F)cc21 221693356 UNFTXHKTFINYJU-SECBINFHSA-N 220.165 2.522 0 40 BFAB CC(C)CNCc1ccc(CC(C)C)[nH]1 226019856 RYXNZWSVFFLAJM-UHFFFAOYSA-N 208.349 2.959 0 40 BFAB C[C@H](O)[C@H]1C[C@H]1c1ccccc1Br 242554655 MRTRCQFYDZXKHK-SFGNSQDASA-N 241.128 2.933 0 40 BFAB C[C@H](O)[C@H]1C[C@H]1c1ccc(Br)cc1 248382431 WWMCQKXSZNIITD-XROYCOCOSA-N 241.128 2.933 0 40 BFAB COCCc1cccc(-c2ccns2)c1 521398322 MLPJERVCCMLHRG-UHFFFAOYSA-N 219.309 2.999 0 40 BFAB CCCCNCc1cn(Cc2ccccc2)cn1 575414956 CJLKSWJLQYHJJT-UHFFFAOYSA-N 243.354 2.821 0 40 BFAB NC[C@H](Cc1nc2ccccc2o1)C(F)(F)F 575422233 AMSJCDSRWVLVLV-ZETCQYMHSA-N 244.216 2.508 0 40 BFAB O=C(O)C12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2 157278 GMOBHRQSNDDZAD-JZVMUCMXSA-N 214.692 2.649 0 40 BFAB CN(Cc1ccccc1)CC(C)(C)C(C)(C)O 158444 XOTLXZRDHBWQFR-UHFFFAOYSA-N 235.371 2.916 0 40 BFAB CCc1ccccc1NC(=O)c1cccnc1 478098 YMXYRXGPYVFFHE-UHFFFAOYSA-N 226.279 2.896 0 40 BFAB CCCCOc1ccc(CCOC(C)=O)cc1 1732397 RDUZFKYQNKEJTJ-UHFFFAOYSA-N 236.311 2.971 0 40 BFAB O=C(O)[C@H](c1ccccc1)c1ccccc1O 2048763 SXQMCNKPZIBQGQ-CYBMUJFWSA-N 228.247 2.609 0 40 BFAB O=C(c1ccccc1CN1CC=CC1)C1CC1 2515919 FQRUBCMDSSYWIZ-UHFFFAOYSA-N 227.307 2.651 0 40 BFAB COc1ccccc1CNC(=O)c1ccccc1 3094197 LDAIHXNJCQYIPO-UHFFFAOYSA-N 241.290 2.625 0 40 BFAB C[C@H]1C=Cn2c(cc3ccccc3c2=O)C1 3847847 OFTYKGZFSMGUPU-JTQLQIEISA-N 211.264 2.664 0 40 BFAB biogenic CN1C(=O)C[C@H]2c3ccccc3O[C@@]13CCC[C@H]23 4784093 WCHBGJWZFJETEI-YWPYICTPSA-N 243.306 2.521 0 40 BFAB Fc1ccc(-c2noc(-c3ccncc3)n2)cc1 4786701 WIRVVGGYVXLXSQ-UHFFFAOYSA-N 241.225 2.938 0 40 BFAB O=C(CN1CCCCCC1)c1ccc(F)cc1 4834534 DEONIWYWFIPSBL-UHFFFAOYSA-N 235.302 2.884 0 40 BFAB CCCCOCC(=O)Nc1ncc(Cl)s1 6656501 POGKGYWGKKOQEK-UHFFFAOYSA-N 248.735 2.552 0 40 BFAB CC(C)CC(=O)Nc1onc2c1CCCC2 11914266 UCRFACWUFRWYDM-UHFFFAOYSA-N 222.288 2.538 0 40 BFAB CC1=N/C(=C/C=C/c2ccccc2)C(=O)O1 12410532 SQIINWMZSDPVND-LRELXJSQSA-N 213.236 2.559 0 40 BFAB CCC[C@H](C)NC(=O)c1cc(-c2ccco2)[nH]n1 12544664 DFYLSGOXQQUCNT-VIFPVBQESA-N 247.298 2.588 0 40 BFAB Cc1cccc(CNC(=O)c2ccsc2)c1 13000605 KFLVPJMKIMMOLR-UHFFFAOYSA-N 231.320 2.987 0 40 BFAB COc1ccccc1NC(=O)NCCC(C)C 18176908 NNFWLOIZMWINEY-UHFFFAOYSA-N 236.315 2.863 0 40 BFAB CC[C@@H](C)[C@H](N)c1nc2ccccc2[nH]1 19266445 XZPXJYCEDOOLIW-KCJUWKMLSA-N 203.289 2.609 0 40 BFAB CCCCOCCOCc1cccc(N)c1 20507359 ZUTNCDDNIVSOKU-UHFFFAOYSA-N 223.316 2.602 0 40 BFAB in-vitro CONC(=O)c1sccc1-c1ccccc1 32848418 VXHCCRAZJLPQAD-UHFFFAOYSA-N 233.292 2.706 0 40 BFAB Cc1c(C(=O)O)c2cc(O)ccc2n1C(C)C 33419825 GRENPYSOTFXXSA-UHFFFAOYSA-N 233.267 2.934 0 40 BFAB C[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]2CCCC[C@@H]21 34863199 BGWHGSUFDVQZRR-NDBYEHHHSA-N 221.344 2.824 0 40 BFAB Cc1cnc(Nc2ccc(F)cc2)c(N)c1 36242837 QKRAROHIWKGAHH-UHFFFAOYSA-N 217.247 2.855 0 40 BFAB COc1ccc(F)cc1[C@H](O)c1ccc(C)o1 40258468 IFALXRCYQDZCTF-ZDUSSCGKSA-N 236.242 2.817 0 40 BFAB CCc1ccc([C@H](C)NC(=O)C2CC2)cc1 42161609 MJYQJDSERVGYRD-JTQLQIEISA-N 217.312 2.836 0 40 BFAB C[C@H](Nc1ncccn1)c1ccccc1F 42200439 ZGWNMSCDGZNKSJ-VIFPVBQESA-N 217.247 2.789 0 40 BFAB O=C(O)/C=C/c1ccc(-c2ccccn2)cc1 44201250 KLVQXZPHXUYFEL-RMKNXTFCSA-N 225.247 2.846 0 40 BFAB COc1cccc(C(=O)c2cnccc2C)c1 45028985 ZPDPJGORMFAGKG-UHFFFAOYSA-N 227.263 2.630 0 40 BFAB CNc1nc(C(F)F)nc2ccccc12 50786109 NDAVMAQQSXAFBG-UHFFFAOYSA-N 209.199 2.609 0 40 BFAB COCCCN1CCC[C@@H]1c1cccc(OC)c1 51180369 QMMLIEHQZGCSHP-OAHLLOKOSA-N 249.354 2.869 0 40 BFAB CCc1ccc([C@@H](C)NC(=O)C[C@H](C)OC)cc1 58210424 ADCRDQNJSQIFSC-NWDGAFQWSA-N 249.354 2.851 0 40 BFAB CCCNc1ncc(CNC2CCCCC2)cn1 62717670 WTXYSIWWOHUOOM-UHFFFAOYSA-N 248.374 2.721 0 40 BFAB CCO[C@@H]1CCCN([C@H]2C=CCCC2)C1 71915707 UPJYFXCFJJMFNO-QWHCGFSZSA-N 209.333 2.596 0 40 BFAB CCN1CCCC[C@@H]1c1cnc(NC)c(C)c1 72218996 XKDZOOQNKZJHEH-CYBMUJFWSA-N 233.359 2.979 0 40 BFAB CCC(=O)NCc1ccc(F)cc1C(F)(F)F 76230424 OYIMECLCIAGYMD-UHFFFAOYSA-N 249.207 2.871 0 40 BFAB NCCCc1csc(C2CCCC2)n1 83290269 XBAWUCASRJZXKF-UHFFFAOYSA-N 210.346 2.692 0 40 BFAB Cc1noc(C)c1NC(=O)CCc1ccccc1 84025528 DIYMBPAMDUSNOV-UHFFFAOYSA-N 244.294 2.863 0 40 BFAB COCc1nc(C(=O)O)c(-c2ccccc2)s1 84427666 RWWJBFLXONEUEO-UHFFFAOYSA-N 249.291 2.655 0 40 BFAB in-vitro Clc1ccc(Cl)c(COC[C@H]2CO2)c1 95096150 MQBUTVSTAJZMLI-VIFPVBQESA-N 233.094 2.909 0 40 BFAB Fc1ccccc1CN[C@@H]1CCCc2c[nH]nc21 95967405 DTIUGVKKTSVUKO-CYBMUJFWSA-N 245.301 2.716 0 40 BFAB COC(=O)c1oc2ccc(N)cc2c1OC(C)C 96510860 LRGQGEUEXZMTRQ-UHFFFAOYSA-N 249.266 2.589 0 40 BFAB O=C1Nc2cccc(Br)c2[C@H]2C[C@H]12 100643023 ICSDOBPACXLXLS-WDSKDSINSA-N 238.084 2.505 0 40 BFAB CC1=CC[C@@]23CC[C@H]([C@@H](C)[C@H]2OC=O)[C@H]3C1 104230711 GKVRLIGSFZBWEX-KSTCHIGDSA-N 220.312 2.930 0 40 BFAB CCN(CC)[C@@H]1[C@@H](O)[C@]2(C)CC[C@@H]1C2(C)C 104377321 JBGSUUCUNUGRIZ-FMSGJZPZSA-N 225.376 2.514 0 40 BFAB CC(=O)N1CCS[C@H](c2ccccc2)CC1 211139794 BYMSEKCFMZLRHR-ZDUSSCGKSA-N 235.352 2.713 0 40 BFAB CCn1cc(C)c(NCc2ccnn2C(C)C)n1 256053838 TWESQXSEISHRFU-UHFFFAOYSA-N 247.346 2.601 0 40 BFAB CCSc1nc(N)c(-c2ccccc2)c(O)n1 409206045 UVAWAYKOQXCCIG-UHFFFAOYSA-N 247.323 2.543 0 40 BFAB O=C(O)c1sc(-n2cccc2)nc1C1CC1 409424057 WUELCHGDHUFXOF-UHFFFAOYSA-N 234.280 2.509 0 40 BFAB CCC1CCC(NC[C@H]2CCCO2)CC1 215450 OQZVAWFLKXOTAU-WXRRBKDZSA-N 211.349 2.724 0 40 BFAB CCOC(=O)c1ccccc1NC(=O)[C@H](C)CC 484538 PSCNFAKVONCQAN-SNVBAGLBSA-N 249.310 2.848 0 40 BFAB CC(=O)Nc1c(C)cc(C)c(NC(C)=O)c1C 1651962 LLOWIBWXQAFBFX-UHFFFAOYSA-N 234.299 2.529 0 40 BFAB CC(=O)[C@@H](c1ccccc1)c1ccc(N)cc1 1670336 DCXRRBZGZJVLAV-HNNXBMFYSA-N 225.291 2.990 0 40 BFAB Clc1ncnc2c1ncn2[C@H]1CCCS1 1687733 JLBJEKUNNJYHNS-ZCFIWIBFSA-N 240.719 2.505 0 40 BFAB Cc1ccc(C)c(C(=O)O[C@@H]2CCCCC2=O)c1 2648787 YOYAHTYQCSAZPO-CQSZACIVSA-N 246.306 2.972 0 40 BFAB CCc1[nH]c2ccc(C(=O)O)cc2c1C 4384238 YNVGEQHHRAECKB-UHFFFAOYSA-N 203.241 2.737 0 40 BFAB COc1ccc(CCC(=O)O)c2ccccc12 4938434 OJXLYUHXBOTGIM-UHFFFAOYSA-N 230.263 2.866 0 40 BFAB in-vitro Cc1ccc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)nc1 5363985 PDDLHYIRLMYPHK-QJPTWQEYSA-N 230.311 2.765 0 40 BFAB C[C@@](Cl)(c1ccccc1)C1OCCO1 6442051 HAQRIJKEVKFQHK-LLVKDONJSA-N 212.676 2.514 0 40 BFAB CCCCNCc1ccc(OC)cc1OC 7261704 WNSRQFQVAMQOSB-UHFFFAOYSA-N 223.316 2.594 0 40 BFAB C[C@@H](O)CNC1CCC(C(C)(C)C)CC1 8534949 MGIWWCSXHLHRTQ-VOMCLLRMSA-N 213.365 2.562 0 40 BFAB CCC(CC)C(=O)Nc1cccc(N)c1C 8703438 PLFCMMSNALYZMZ-UHFFFAOYSA-N 220.316 2.952 0 40 BFAB Sc1nnc(OCc2ccc(Cl)cc2)o1 8731375 NXTIOQXTGQPPJL-UHFFFAOYSA-N 242.687 2.591 0 40 BFAB C/C(=C\C(=O)O)c1ccc(Br)cc1 11628507 XEIILUUUDHTYPZ-VOTSOKGWSA-N 241.084 2.937 0 40 BFAB C[C@H]1CCc2noc(NC(=O)c3ccco3)c2C1 11917597 JDGHLWOEBSCEQO-QMMMGPOBSA-N 246.266 2.645 0 40 BFAB CC[C@@H](C)NC(=O)[C@H]1Cc2ccccc2S1 12894321 ZWLUHHNAQOLHGM-BXKDBHETSA-N 235.352 2.618 0 40 BFAB CSc1ccc(C)c(C(=O)NC(C)C)c1 12919176 GXGHPVRNQCNNKP-UHFFFAOYSA-N 223.341 2.855 0 40 BFAB COC(=O)N(c1ccccc1)c1ccccn1 13220490 ZKOODEPFRZXGLH-UHFFFAOYSA-N 228.251 2.986 0 40 BFAB CCN(CC)C(=O)Cc1ccc(C)c(C)c1 13680001 ZXKQQVNSLNVDEW-UHFFFAOYSA-N 219.328 2.714 0 40 BFAB CC[C@H](Oc1ccc(F)cc1)C(=O)NC(C)C 20045922 MJCUFAQXJROYOX-LBPRGKRZSA-N 239.290 2.508 0 40 BFAB Fc1cccc(Cl)c1COC1CCNCC1 31839926 HTCZLVBCPJIHSV-UHFFFAOYSA-N 243.709 2.748 0 40 BFAB CC[C@@H]1CCCCN1C(=O)c1ccoc1C 32747681 LCDXABQPHZHMGB-LLVKDONJSA-N 221.300 2.993 0 40 BFAB C[C@H]1C[C@@H](C)CN(C(=O)C[C@H]2C=CCC2)C1 32747732 XBRHKOKFAOVBSD-XQQFMLRXSA-N 221.344 2.847 0 40 BFAB CNC(=O)c1sc2ccccc2c1C 32841519 QOAFEDPECMHGRN-UHFFFAOYSA-N 205.282 2.569 0 40 BFAB COc1cccc([C@H]2CCCN2C(=O)C2CC2)c1 32889850 AOHKYIQUEZJXQC-CQSZACIVSA-N 245.322 2.769 0 40 BFAB CC[C@@H](C)C(=O)N(Cc1ccccn1)C1CC1 32904013 DKVJXLNHWCCVMS-LLVKDONJSA-N 232.327 2.619 0 40 BFAB Oc1nc(Br)c(Cl)cc1Cl 34135201 SSSBNTHPMMENDS-UHFFFAOYSA-N 242.887 2.857 0 40 BFAB Cc1ccc(NC(=O)N(C)C)c(Cl)c1 34173959 ZBCKFPUOWZSKBL-UHFFFAOYSA-N 212.680 2.742 0 40 BFAB O=C(c1cc(Cl)ccn1)N1CCCCCC1 34937827 GIWMXIGGTMOCPV-UHFFFAOYSA-N 238.718 2.751 0 40 BFAB C[C@H](Cc1ccco1)NC(=O)c1ccsc1 40510232 LEGVGMUVWQVKCZ-SECBINFHSA-N 235.308 2.702 0 40 BFAB COCC(=O)Nc1c(C)cccc1C(C)C 40870124 OUFOMERFDXLPPO-UHFFFAOYSA-N 221.300 2.703 0 40 BFAB CCc1noc([C@@H](C)N(C)Cc2ccoc2C)n1 55082777 XJMJNKRMCCSBMN-SECBINFHSA-N 249.314 2.726 0 40 BFAB CC(C)Oc1cc(N)cc(Br)c1 72296500 HZLBTCHGFXWVAZ-UHFFFAOYSA-N 230.105 2.819 0 40 BFAB CC(=O)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 81145099 HABRZAPYTNWRRC-NSHDSACASA-N 241.331 2.613 0 40 BFAB CCOCC[C@@H](CC)CNCC1CCC1 85396110 OZTIGWZTHBWCSO-GFCCVEGCSA-N 213.365 2.829 0 40 BFAB CSc1ccccc1[C@@H](O)c1ccccn1 95727430 MKIKFDHRKCJYFU-CYBMUJFWSA-N 231.320 2.885 0 40 BFAB CCOc1ccccc1[C@@H]1C[C@H]1[C@H](C)O 108350580 CBFYMQPYNYGCPF-DLOVCJGASA-N 206.285 2.570 0 40 BFAB O=Cc1ccc(-c2cccc3c2OCCO3)s1 217570748 IGMGPJNXMQUQSX-UHFFFAOYSA-N 246.287 2.999 0 40 BFAB CO[C@H](Cc1cc(Cl)cc(Cl)c1)C(=O)O 225092315 GVUXIKPDLNXTGK-SECBINFHSA-N 249.093 2.636 0 40 BFAB CCCn1c(CO)ccc1Cc1ccccc1 226027411 BMDSUNTWMOQRDX-UHFFFAOYSA-N 229.323 2.981 0 40 BFAB Cc1ncc(NC(=O)c2ccoc2)c(C2CC2)n1 252489506 JSCDZSOUTBQXIL-UHFFFAOYSA-N 243.266 2.508 0 40 BFAB CC(=O)Oc1ccc(C(=O)C2CCC2)cc1 390105541 CBLHVNSTQLRHNJ-UHFFFAOYSA-N 218.252 2.595 0 40 BFAB O=C(/C=C/c1ccccc1)NC1CCCC1 1016996 PHBMWWQRXLSNDW-ZHACJKMWSA-N 215.296 2.759 0 40 BFAB CC(C)N1CC[C@H](OC(=O)Nc2ccccc2)C1 1569160 WNCJMZVHWSLECL-ZDUSSCGKSA-N 248.326 2.718 0 40 BFAB CCOC(=O)OCCCc1ccccc1 1656077 SLAKQTCFPPHFEF-UHFFFAOYSA-N 208.257 2.792 0 40 BFAB O=C(O)COc1ccc2ccccc2c1Cl 1732247 FUJBOABXGGWARB-UHFFFAOYSA-N 236.654 2.957 0 40 BFAB CNCC(Oc1ccccc1)Oc1ccccc1 2381640 ZWIHFGNGXRCIIL-UHFFFAOYSA-N 243.306 2.690 0 40 BFAB Cc1ccnc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)c1 4044702 QJUPMGBJQLVNIJ-QJPTWQEYSA-N 230.311 2.765 0 40 BFAB O=C(O)c1ccccc1SC[C@@H]1CCCO1 4207221 JSIXPZCPPOPSCY-VIFPVBQESA-N 238.308 2.656 0 40 BFAB CCC(CC)NC(=O)c1cccc(C)c1 4599076 CAPZMAODCXVPMP-UHFFFAOYSA-N 205.301 2.913 0 40 BFAB O=C(NCC1CC1)C12CC3CC(CC(C3)C1)C2 4704583 OTCATFNNBAOMQA-UHFFFAOYSA-N 233.355 2.729 0 40 BFAB Cc1nc(CC(=O)Nc2ccccc2C)cs1 7995479 VSFWKXCVCLXOSO-UHFFFAOYSA-N 246.335 2.941 0 40 BFAB Cc1ccccc1NCC(C)(C)C(=O)O 8702829 RRHGZWYZFXJRPT-UHFFFAOYSA-N 207.273 2.518 0 40 BFAB Cc1ccc(C(=O)NCc2csc(C)n2)cc1 15832142 NSOCESKXWFKOHS-UHFFFAOYSA-N 246.335 2.690 0 40 BFAB C[C@@H](NN)c1ccc(Cl)cc1Cl 19271316 FKSIGVWCIYERMC-RXMQYKEDSA-N 205.088 2.518 0 40 BFAB CCOc1ccc(CNCC2CC2)cc1OC 20086222 UXYYGALSJBETLW-UHFFFAOYSA-N 235.327 2.594 0 40 BFAB Nc1ccc(NC(=O)C2CCCCC2)c(F)c1 20157276 JOFOAWGCRYPKGL-UHFFFAOYSA-N 236.290 2.927 0 40 BFAB CC(C)(C)C(=O)Nc1cc(C(C)(C)C)n[nH]1 34591216 BFLNZJOMWNGZKB-UHFFFAOYSA-N 223.320 2.692 0 40 BFAB Fc1cc2ncc(Cl)nc2cc1F 35270032 BJQGARNEDBXHQC-UHFFFAOYSA-N 200.575 2.561 0 40 BFAB in-vitro CN[C@]1(c2cccc(Cl)c2)CCCCC1=O 37246801 NDVCZDFFOQKAGV-ZDUSSCGKSA-N 237.730 2.898 0 40 BFAB in-vitro C1CCC(CNC[C@@H]2CCCOC2)CC1 38043800 JYOXVMDFIRJBJJ-ZDUSSCGKSA-N 211.349 2.583 0 40 BFAB Cc1cc(Cl)ccc1OC[C@@H]1CCNC1 38580787 PWALMSYPZVPBBT-SNVBAGLBSA-N 225.719 2.637 0 40 BFAB O=C1C[C@@H]2C=C[C@H]1c1c(F)c(F)c(F)c(F)c12 43465265 FUFUJGSFBQQDOY-CRCLSJGQSA-N 242.171 2.953 0 40 BFAB CCc1cc(N)cc(C)c1NC(=O)C(C)C 45888235 JETGRACLNUSPPQ-UHFFFAOYSA-N 220.316 2.734 0 40 BFAB CC(C)NC(=O)N[C@@H](C)c1cccc(F)c1 48289236 YFINHNCIKMFMSN-VIFPVBQESA-N 224.279 2.594 0 40 BFAB Cc1cccc(CC(=O)Cc2cccnc2)c1 53130243 GDYBAGYZRWPQEK-UHFFFAOYSA-N 225.291 2.744 0 40 BFAB in-vitro CNC[C@H]1C[C@H]1c1ccccc1OC(F)(F)F 54588440 WODRRYTVGGJGFF-PSASIEDQSA-N 245.244 2.908 0 40 BFAB CCCc1ccc(C2(O)CCN(C)CC2)cc1 55241713 VSUQJJFXUQJEPE-UHFFFAOYSA-N 233.355 2.552 0 40 BFAB O=C(NCC1(O)CCCCC1)Nc1ccccc1 58222987 BTODLLZXTMINMK-UHFFFAOYSA-N 248.326 2.503 0 40 BFAB CC(=O)c1nc2ccccc2n1CC(C)C 62702327 MLWHJRBUEDOKTG-UHFFFAOYSA-N 216.284 2.895 0 40 BFAB CCOC(=O)c1cnc2cc(F)ccc2c1NC 64874569 DZJYIYGLLLAJSJ-UHFFFAOYSA-N 248.257 2.592 0 40 BFAB CCOc1cc([C@@H](N)C(F)(F)F)ccc1OC 72190818 RXHLYKAUDCDSCT-SNVBAGLBSA-N 249.232 2.656 0 40 BFAB CC(C)(C)c1ccc(O)c(-n2cccn2)c1 75626706 NAPDHZKXJUVIQQ-UHFFFAOYSA-N 216.284 2.875 0 40 BFAB CCCNC(=O)CCc1ccc2ccccc2n1 82263952 ZLCSHVSNZGBBBO-UHFFFAOYSA-N 242.322 2.694 0 40 BFAB NCc1cc(Cl)cc(Br)c1 83350882 KHUHKVBBFRQHSO-UHFFFAOYSA-N 220.497 2.561 0 40 BFAB in-vitro Clc1ncc(N2CCCCC2)c(Cl)n1 85347929 KNAJFEASVKCOOF-UHFFFAOYSA-N 232.114 2.774 0 40 BFAB Cc1oncc1NC(=O)C1CCC(F)(F)CC1 95979219 QJKMXRIOIGFFBS-UHFFFAOYSA-N 244.241 2.747 0 40 BFAB Cc1cccc(C(C)(C)NCCn2ccnc2)c1 96491924 JQFAEGILCLWWMA-UHFFFAOYSA-N 243.354 2.716 0 40 BFAB CC(C)(O)c1ccccc1-n1cccc1 98174892 NXNJFSIGPCDPOZ-UHFFFAOYSA-N 201.269 2.705 0 40 BFAB c1cc(CN2CCCCC2)n(C2CC2)c1 225309341 CDIIUWQWMCNMHI-UHFFFAOYSA-N 204.317 2.809 0 40 BFAB CN1[C@H]2CC[C@H](Cc3ccccc3N)[C@H]1CC2 242495325 GATWFGOKFQFZFJ-VNHYZAJKSA-N 230.355 2.684 0 40 BFAB Cc1cc(C)nc([C@H]2CCN(CC3CCC3)C2)n1 257231347 GGGZFCDZORDENU-AWEZNQCLSA-N 245.370 2.683 0 40 BFAB O=C(O)[C@@H]1C[C@@H]1c1ccc(OCC(F)F)cc1 408716796 QZCCJFWZQBDFBW-NXEZZACHSA-N 242.221 2.519 0 40 BFAB CN(Cc1ccccc1)c1ncnc2c1CCC2 588779850 BKMGNJLPHSVTLW-UHFFFAOYSA-N 239.322 2.602 0 40 BFAB CC(=O)NCc1cc(-c2ccco2)cs1 1775968759 UUKRZLUWPNLKEZ-UHFFFAOYSA-N 221.281 2.644 0 40 BFAB CCc1oc2ccccc2c1CC1=NCCN1 1218 QZRIKRJFJVVUSF-UHFFFAOYSA-N 228.295 2.539 0 40 BFAB in-man O=C(NCc1cccs1)c1cccs1 139441 SYNVBWKSJAUSMB-UHFFFAOYSA-N 223.322 2.740 0 40 BFAB O=C(Nc1nc2c(s1)CCCC2)c1ccco1 192139 HFIIWZJBHMAGES-UHFFFAOYSA-N 248.307 2.867 0 40 BFAB Cc1cccc(N)c1S[C@H]1CCCC[C@@H]1O 553527 LJGIJNFBHPWGCW-RYUDHWBXSA-N 237.368 2.973 0 40 BFAB CCCCC(=O)Nc1cccc2nsnc12 2476558 DJTAJRVDGAEZKD-UHFFFAOYSA-N 235.312 2.820 0 40 BFAB biogenic CCOc1ccc(NC2=N[C@@H](C)CS2)cc1 3308361 MXGRIMRRGLUNLL-VIFPVBQESA-N 236.340 2.989 0 40 BFAB CCC(=O)O[C@@H]1C[C@@H]2C[C@H]1[C@@H]1CC=C[C@H]21 4083571 BLBJUGKATXCWET-MTVMDMGHSA-N 206.285 2.540 0 40 BFAB biogenic CNc1nnc(-c2ccc(Cl)cc2)s1 4992734 WTSAOKFXGFTKID-UHFFFAOYSA-N 225.704 2.900 0 40 BFAB COc1ccc(CCNCc2ccc(C)o2)cc1 6600489 WRGFERBDJFUAPU-UHFFFAOYSA-N 245.322 2.929 0 40 BFAB CCC(CC)C(=O)Nc1cc(N)ccc1OC 8703553 XLTFWGBTTKCYMG-UHFFFAOYSA-N 236.315 2.652 0 40 BFAB COc1ccccc1[C@@H](N)c1cccs1 19842066 BZTYQIJZTUNAKS-GFCCVEGCSA-N 219.309 2.805 0 40 BFAB CC(C)(C)c1ccc(C2(C(N)=O)CC2)cc1 20059058 UGKUDGIQKDKIPI-UHFFFAOYSA-N 217.312 2.501 0 40 BFAB CCn1cc(CNCc2cccs2)c(C)n1 20351226 LUAQSTSEWPMDSQ-UHFFFAOYSA-N 235.356 2.563 0 40 BFAB Cc1cccc(NC(=O)N[C@@H](C)C2CC2)c1 23584922 SFIHLXCIKRERFR-JTQLQIEISA-N 218.300 2.915 0 40 BFAB CC(C)CCNC(=O)CSc1ccccc1 31866469 QPMJETSYOJEYMZ-UHFFFAOYSA-N 237.368 2.941 0 40 BFAB C[C@@H]1C[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3 32721498 KEROWRDSVUVMLJ-ZOSDIUFLSA-N 233.355 2.583 0 40 BFAB Cc1ccc(-c2nc(C3CC3)n[nH]2)c(C)c1 41057555 GHHWPADQCVKOPY-UHFFFAOYSA-N 213.284 2.966 0 40 BFAB CSc1ccc(N)cc1Br 43597914 FBYKGRIMIDNBJS-UHFFFAOYSA-N 218.119 2.753 0 40 BFAB in-vitro CC(C)Oc1ncc(Br)s1 44117004 BYAGVLRKWHZMEM-UHFFFAOYSA-N 222.107 2.693 0 40 BFAB CCN(CC)C(=O)[C@H](C)Oc1ccc(C)cc1 46869922 SGPIRKPEDYHCAL-LBPRGKRZSA-N 235.327 2.631 0 40 BFAB CCN(C(=O)NC1CC1)[C@@H](C)c1cccc(O)c1 49127408 WCMDAFVCOHNGLJ-JTQLQIEISA-N 248.326 2.647 0 40 BFAB Cc1ccc(-c2nc(CC(=O)O)c(C)o2)cc1 49632719 GSIKYHMVNPFJTR-UHFFFAOYSA-N 231.251 2.586 0 40 BFAB CCc1ccc(N(C)CCCC(=O)O)cc1 49987432 IGFDMKSVSXPZDU-UHFFFAOYSA-N 221.300 2.550 0 40 BFAB Cc1nc(CSc2ccccc2F)no1 57694523 ZKDDCSHEIGYKDE-UHFFFAOYSA-N 224.260 2.809 0 40 BFAB CSc1ccc(C(=O)O)c(Cl)c1 61848755 GRUJNPZAMCELAI-UHFFFAOYSA-N 202.662 2.760 0 40 BFAB Cc1ccc(F)c2c(O[C@@H](C)C(=O)O)ccnc12 64874868 CKEUDOQWBHBYCE-QMMMGPOBSA-N 249.241 2.534 0 40 BFAB CC(C)(C)n1[nH]c(=O)c2cc(Cl)ccc21 67341850 IHHTYLCYADKRGT-UHFFFAOYSA-N 224.691 2.738 0 40 BFAB O=C(O)COc1cc2occc2cc1Cl 72219759 AKLMISKWQNNSGE-UHFFFAOYSA-N 226.615 2.550 0 40 BFAB CCC(=O)c1ccc(N2CCCCC2)nc1 72225445 MNVIIGWIILDJSX-UHFFFAOYSA-N 218.300 2.665 0 40 BFAB CC(C)(C)OC(=O)N[C@H]1CC[C@H]1C(F)F 82162995 LRNVUWPJESBIRD-RQJHMYQMSA-N 221.247 2.555 0 40 BFAB CCOc1ccc(-c2cc(C(=O)OC)no2)cc1 83166264 MORLWEAPNHAIJV-UHFFFAOYSA-N 247.250 2.527 0 40 BFAB Cc1cc2ccc(Br)nc2[nH]1 84309433 XUHAAPXJKHPPDM-UHFFFAOYSA-N 211.062 2.634 0 40 BFAB NC[C@H]1CCCCN1CCC1CCCCC1 87473679 IHKDFWVNUVZLGG-CQSZACIVSA-N 224.392 2.770 0 40 BFAB COc1c(Cl)ccc(CCC(=O)O)c1F 91252026 MJIGCENLUSLAFF-UHFFFAOYSA-N 232.638 2.505 0 40 BFAB Cc1nnc(-c2ccccc2OC(F)(F)F)o1 95215923 UQISOAJJNGSWHT-UHFFFAOYSA-N 244.172 2.944 0 40 BFAB Sc1cccc(CN2CCSCC2)c1 95738729 KTHORGDCTJQIJC-UHFFFAOYSA-N 225.382 2.524 0 40 BFAB COc1ccc([C@H](C)O)cc1OCC(C)C 95739649 LXRYDYGXJRXWTG-JTQLQIEISA-N 224.300 2.783 0 40 BFAB CC[C@@H](O)CN[C@@H](C)c1ccc(F)c(Cl)c1 96491143 YMDSVEBRNMJBOT-WCBMZHEXSA-N 245.725 2.901 0 40 BFAB C[C@@H](NC(=O)c1ccco1)[C@@H]1C[C@@H]2CC[C@@H]1C2 101716963 TWAOWPQGQVRSDB-KKOKHZNYSA-N 233.311 2.834 0 40 BFAB Cc1ccc(Cl)cc1N(C)[C@@H](C)C(=O)O 224992270 HQXXMWZBJOQKMM-QMMMGPOBSA-N 227.691 2.558 0 40 BFAB CSc1c(Br)cccc1CO 403027748 WVNIIGGYLOUMDL-UHFFFAOYSA-N 233.130 2.663 0 40 BFAB C[S@](=N)(=O)Cc1ccc(Cl)cc1 1565504869 XEPYDMMCAISQHX-LBPRGKRZSA-N 203.694 2.517 0 40 BFAB CC(C)(C)C(=O)C[C@@H](O)C(Cl)(Cl)Cl 160265 FQGPSSYHVXSBCF-ZCFIWIBFSA-N 247.549 2.723 0 40 BFAB COc1ccc(C(=O)c2cc(C)ccc2O)cc1 3133979 KXBBVJKVRRVOSE-UHFFFAOYSA-N 242.274 2.940 0 40 BFAB O=C(CNc1ccccc1)Nc1ccccc1 3203618 GHNHEWYCTRNGGW-UHFFFAOYSA-N 226.279 2.737 0 40 BFAB in-vitro Cc1ccc(C(=O)NC(=O)Nc2ccccc2)o1 3848508 ANVVCOOMOWJISS-UHFFFAOYSA-N 244.250 2.550 0 40 BFAB biogenic Cc1cc(S)n2ncc(-c3ccccc3)c2n1 6130822 GCMOXOICAPIYPL-UHFFFAOYSA-N 241.319 2.993 0 40 BFAB CC(C)NC(=O)Cc1ccc2ccccc2c1 7038733 IVMDQDANFDKDRZ-UHFFFAOYSA-N 227.307 2.907 0 40 BFAB Cc1ccc(OCc2nc(C(=O)O)cs2)cc1 7786496 ULXLKNWQMGIDNW-UHFFFAOYSA-N 249.291 2.729 0 40 BFAB Cc1ccc2c(C)cc3nnc(S)n3c2c1 12505979 HJSNTFUNFAINKQ-UHFFFAOYSA-N 229.308 2.788 0 40 BFAB CCOCCOc1ccc(N)c(C(F)(F)F)c1 14630295 GYFSKNQFIPMWBS-UHFFFAOYSA-N 249.232 2.703 0 40 BFAB Cc1sc2nc(Cl)n3ncnc3c2c1C 15083501 ZVQWBDDCFYSGCW-UHFFFAOYSA-N 238.703 2.609 0 40 BFAB Cn1c(C=O)ccc1-c1ccc(F)cc1 20272395 YSPDGJJCDQEWOC-UHFFFAOYSA-N 203.216 2.644 0 40 BFAB Cc1cc(C)cc(Oc2cc(CN)ccn2)c1 22213200 YHLSKGIRYOOQRA-UHFFFAOYSA-N 228.295 2.949 0 40 BFAB c1ccc(-c2cnc([C@H]3CCCN3)[nH]2)cc1 32628160 VDUOVBVLPCYKNE-LLVKDONJSA-N 213.284 2.501 0 40 BFAB CCC(=O)N1CCc2sccc2[C@H]1C 32781382 LLXRDMWLGMJRAA-MRVPVSSYSA-N 209.314 2.604 0 40 BFAB CCCC(=O)N1CCC[C@@H]2CCCC[C@@H]21 32819481 BYTNUEPPTXRSTN-RYUDHWBXSA-N 209.333 2.968 0 40 BFAB C[C@H]1CCC[C@H](NC(=O)/C=C/c2cccnc2)C1 33185055 XTTALFPNMRPTQE-FCSZMHKNSA-N 244.338 2.790 0 40 BFAB NC1CCN(CC2=CCCCCCC2)CC1 39076282 KXKGPHJLNRDBHZ-UHFFFAOYSA-N 222.376 2.690 0 40 BFAB CCO[C@H](C)C(=O)Nc1ccccc1Cl 40523221 UUOPHPJKQBTGFH-MRVPVSSYSA-N 227.691 2.704 0 40 BFAB CCN(CC)Cc1ccc(-n2cccn2)cc1 52635274 GRGJZWHXPZQGNE-UHFFFAOYSA-N 229.327 2.714 0 40 BFAB CN(C(=O)Cc1ccc(F)cc1)C1CCCC1 53643423 SRUVQFQJQADASU-UHFFFAOYSA-N 235.302 2.769 0 40 BFAB Cc1ccc(Sc2ccc(O)nn2)cc1 57531704 YAIJLCYHIOGWJG-UHFFFAOYSA-N 218.281 2.642 0 40 BFAB Cc1c(Cl)ccc2sc(NCCN)nc12 62201962 GYULNPGNZXBZDX-UHFFFAOYSA-N 241.747 2.629 0 40 BFAB C[C@@H]1C[C@H](NCCCOc2ccccc2)CCO1 70361232 TZAVAFGXUPNSNZ-ZIAGYGMSSA-N 249.354 2.613 0 40 BFAB COC(=O)c1ncccc1-c1ccc(C)cc1 72209369 MVYZZDHMGNQOLP-UHFFFAOYSA-N 227.263 2.844 0 40 BFAB COC(=O)c1ncccc1-c1ccccc1F 72209371 QZNQNLRDMQSROL-UHFFFAOYSA-N 231.226 2.674 0 40 BFAB c1cnc(N2CCCC2)c(C2=NCCCC2)c1 72215993 DEDCFIZIZCSFME-UHFFFAOYSA-N 229.327 2.655 0 40 BFAB O=c1[nH]c(-c2ccco2)nc2ccc(Cl)cc12 80128310 JQTPJNRWSKAJEL-UHFFFAOYSA-N 246.653 2.837 0 40 BFAB CCOC(=O)c1cc(C)c(Cl)cc1OC 82724845 RRHKQRXLWGQTIN-UHFFFAOYSA-N 228.675 2.834 0 40 BFAB Cc1ccc(-c2cn3c(n2)NCCC3)cc1 83989020 GYTCQQVMZIKZFV-UHFFFAOYSA-N 213.284 2.674 0 40 BFAB CC1CC(COc2ccc(CO)cc2)C1 85391095 AICFQYIFROKEAZ-UHFFFAOYSA-N 206.285 2.604 0 40 BFAB COc1ccc(F)c(C(F)(F)F)c1C=O 91252081 AYOBDUXUFBKTIY-UHFFFAOYSA-N 222.137 2.666 0 40 BFAB COc1c(C)cccc1CNCc1ccco1 95094813 ZFHAOURTOGSVHL-UHFFFAOYSA-N 231.295 2.886 0 40 BFAB COc1cccc(C(=O)C(F)(F)Cl)c1 95917154 HACUUXXFCNPESU-UHFFFAOYSA-N 220.602 2.710 0 40 BFAB c1ccc2c(NCc3cc[nH]n3)cncc2c1 95976034 YFXXZEHWCBVCBK-UHFFFAOYSA-N 224.267 2.570 0 40 BFAB COc1cc(Cl)cc(C2CCNCC2)c1 216191901 BNOVBQBZOBXYCD-UHFFFAOYSA-N 225.719 2.816 0 40 BFAB Cc1cccc(C)c1-n1ccc(C(=O)O)c1 223724250 LIONAGBXXSJVSF-UHFFFAOYSA-N 215.252 2.792 0 40 BFAB CC[C@H]1CN(CC(=O)O)CC[C@H]1c1ccccc1 252536135 HQJYPIKIQDVROW-GXTWGEPZSA-N 247.338 2.587 0 40 BFAB CCCc1nc(-c2ncsc2Cl)no1 335808195 HHKWWEHGNNHEPL-UHFFFAOYSA-N 229.692 2.799 0 40 BFAB Cc1ccc(F)cc1/C=C/c1nccc(O)n1 390833664 LBYNWTPYSANUBA-HWKANZROSA-N 230.242 2.800 0 40 BFAB CC(C)n1ccc(COCCC(F)(F)F)n1 408716809 REORKGHRVAYEAA-UHFFFAOYSA-N 236.237 2.933 0 40 BFAB CC1=CN=c2c(c3ccccc3c3c2=C=CC=C3)N1 575179032 PLOVSIIGGOOVPD-UHFFFAOYSA-N 244.297 2.709 0 40 BFAB CC(C)[C@@H]1C(F)(F)C12C[C@@H]1CC[C@H](C2)N1 719064090 ZKXABKSFUDDIAE-JDUUOCRZSA-N 215.287 2.808 0 40 BFAB CC(=O)Nc1cc(Cl)c(C)c(Cl)c1O 2576340 XWRFOWUTIDNAEO-UHFFFAOYSA-N 234.082 2.966 0 40 BFAB CC(=O)Nc1ccc2c(c1)c(C)c(C)n2C 3163443 QOXAGVARDDRINM-UHFFFAOYSA-N 216.284 2.754 0 40 BFAB Cc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1C 3206587 VBEMSQWLOQAKRE-ZDUSSCGKSA-N 248.326 2.604 0 40 BFAB COc1ccccc1NC1=NCCCS1 3227305 MCNOURIAPOKCRE-UHFFFAOYSA-N 222.313 2.600 0 40 BFAB in-vitro COC(=O)[C@@]1(c2ccccc2)CC1(Cl)Cl 4199692 PRDLECAGOIAWMW-JTQLQIEISA-N 245.105 2.675 0 40 BFAB OC1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 5683091 DNAGSRDCXSVFLX-YIONKMFJSA-N 231.339 2.564 0 40 BFAB in-vitro CCc1n[nH]c(SCc2ccc(C)cc2)n1 5686696 UCLDBGGKTLKDDG-UHFFFAOYSA-N 233.340 2.968 0 40 BFAB Cc1ccc(N2C(=O)CC3(CCCC3)C2=O)cc1 7000806 BEIFUFTXPSLPMY-UHFFFAOYSA-N 243.306 2.819 0 40 BFAB Cc1cc(C(=O)N[C@H](C)c2ccncc2)c(C)o1 7184177 OZIKOLJSKDIBLT-SNVBAGLBSA-N 244.294 2.782 0 40 BFAB Cc1ccc(F)c(NC(=O)c2ccncc2)c1 9216683 FOXLUYGIOXEVGO-UHFFFAOYSA-N 230.242 2.781 0 40 BFAB C[C@@H](NC(=O)NC1CC1)c1ccc(Cl)cc1 12937103 MEBYBYIPRAQKIM-MRVPVSSYSA-N 238.718 2.863 0 40 BFAB CCCCCN(CCCCC)S(C)(=O)=O 13946437 DCKWCQYRLPKVPW-UHFFFAOYSA-N 235.393 2.628 0 40 BFAB Cc1ccc(C)c(NC(=O)CNC(C)(C)C)c1 16473563 SEEVUACURMNJMP-UHFFFAOYSA-N 234.343 2.630 0 40 BFAB COC(=O)c1ccc(Oc2nccs2)cc1 16678729 GTAGKPHKKIJCSI-UHFFFAOYSA-N 235.264 2.722 0 40 BFAB CCCCCC[C@@H]1C/C(=C\N(C)C)C(=O)O1 18044917 RGMUXVLMWFRSEK-HCRIHEDKSA-N 225.332 2.718 0 40 BFAB N[C@@H]1CCCOc2ccc(Br)cc21 19408214 CHGCHQWOZKAONL-SECBINFHSA-N 242.116 2.622 0 40 BFAB Cc1csc2nc(-c3ccc(N)cc3)cn12 19767255 YLXIYXBSYJWFEB-UHFFFAOYSA-N 229.308 2.953 0 40 BFAB N=C(N)c1ccc(Oc2ccccc2)cc1 19866074 QNGXTOAUYDWSLA-UHFFFAOYSA-N 212.252 2.763 0 40 BFAB in-vitro Cc1ccoc1C(=O)NC1CCCCC1 21004814 OHYPFYICNRFWLF-UHFFFAOYSA-N 207.273 2.651 0 40 BFAB CCN1CCC[C@H]1c1ccc2c(c1)OCCO2 32836174 LQBNGYIZSPKTDW-LBPRGKRZSA-N 233.311 2.615 0 40 BFAB Cc1cccc(C(=O)N(C)c2ccccc2)n1 32909104 KULNEIRFAAUHIS-UHFFFAOYSA-N 226.279 2.667 0 40 BFAB CCCNC(=O)c1cc(C)nc2ccc(C)cc12 32962612 UGYLLDSGSGGKLF-UHFFFAOYSA-N 242.322 2.991 0 40 BFAB Cc1cc(-c2nc3ncccc3o2)ccn1 34463200 UCZZTRYGMLBDOG-UHFFFAOYSA-N 211.224 2.593 0 40 BFAB Cc1[nH]c2cccc(Cl)c2c(=O)c1C 35064806 BMGUGNMJBDVOLG-UHFFFAOYSA-N 207.660 2.798 0 40 BFAB COc1ccc([C@@H](C)NC2CC2)c(F)c1 37183797 PBYQLTUZWIOPJD-MRVPVSSYSA-N 209.264 2.647 0 40 BFAB NCc1ccc(-c2ccccc2)cc1F 38070619 XZYFLRPHEKRECI-UHFFFAOYSA-N 201.244 2.951 0 40 BFAB in-vitro Cc1cc(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)on1 40473410 RNGUBFLCWHVTMN-RYUDHWBXSA-N 248.326 2.635 0 40 BFAB Cn1ccnc1SCCc1cccs1 60333901 MAQFSEWBVYDKNR-UHFFFAOYSA-N 224.354 2.816 0 40 BFAB CC(C)COc1cc(F)ccc1[C@@H](C)O 62749306 AXCCNCIDRJINLO-SECBINFHSA-N 212.264 2.914 0 40 BFAB C[C@H]1C[C@@H]1NC(=O)c1ncoc1-c1cccs1 69702378 PVYXXYHNJTZART-YUMQZZPRSA-N 248.307 2.541 0 40 BFAB NC1([C@@H](O)c2ccc(F)cc2)CCCCC1 71525021 NPYYGMJPKBXIOB-LBPRGKRZSA-N 223.291 2.521 0 40 BFAB Cc1cccc(C[S@](=O)Cc2cc(C)on2)c1 71846909 QTNSKNLGOQVQCZ-QGZVFWFLSA-N 249.335 2.740 0 40 BFAB Cc1nc(CO)ccc1-c1cc(F)cc(F)c1 72233410 RHXBNSFPSHCQLW-UHFFFAOYSA-N 235.233 2.828 0 40 BFAB CC(C)N1CCC[C@@H](c2nccnc2Cl)C1 72343850 ZWNWELPGKZGGCE-SNVBAGLBSA-N 239.750 2.718 0 40 BFAB CCCNC(=O)c1cc(C)c(C)cc1C 74951551 GLLMLLRGBZILFU-UHFFFAOYSA-N 205.301 2.752 0 40 BFAB C[C@@H](N)c1c(F)cc(Br)cc1F 75845016 RKEWVQWENMZJIB-SCSAIBSYSA-N 236.059 2.747 0 40 BFAB Cc1ccc([C@@H](C)N)cc1Br 82533916 QZOVGJPADSENQV-SSDOTTSWSA-N 214.106 2.777 0 40 BFAB Cc1nc(Cl)cc(Oc2ccc(F)nc2)n1 95430803 VNMKCBIVVBIQLS-UHFFFAOYSA-N 239.637 2.765 0 40 BFAB CCCO[C@@H](Cc1ccc(Cl)cc1)C(=O)O 225062138 SQHANAJYTOFTLB-NSHDSACASA-N 242.702 2.762 0 40 BFAB O=C(Nc1ccc(F)cc1)N1CC[C@@H](CF)C1 877901729 SSZAYUCTLDVMIK-VIFPVBQESA-N 240.253 2.649 0 40 BFAB Cc1ccc2nsnc2c1NC(=O)C(C)C 122522 QSDWCFZWVBSQFF-UHFFFAOYSA-N 235.312 2.594 0 40 BFAB CC(C)(C)OC(=O)N1[C@@H]2CCCC(=O)[C@H]1CC2 481821 VLBIITJVZKIBAL-NXEZZACHSA-N 239.315 2.508 0 40 BFAB O=C(O)c1ccc(Nc2ccccn2)cc1 5338760 GZKWDVJBCSPYKE-UHFFFAOYSA-N 214.224 2.523 0 40 BFAB C1CCc2c(-c3n[nH]c4c3CCCC4)n[nH]c2C1 5479257 KUNKLRHXFRKHCU-UHFFFAOYSA-N 242.326 2.557 0 40 BFAB CCCC[C@@H](CC)C(=S)N1CCOCC1 5784252 SYSRCHFQWHRZFW-LLVKDONJSA-N 229.389 2.862 0 40 BFAB O=C(Nc1ccon1)Nc1ccc(F)cc1F 15952075 IWUSRMHYZOLAHT-UHFFFAOYSA-N 239.181 2.597 0 40 BFAB C[C@@H]1C[P@](=O)(c2ccccc2)[C@@H](C)CC1=O 16608343 QEYLIZRHTPFMRZ-OHUAYANFSA-N 236.251 2.672 0 40 BFAB O=C1c2ccccc2CC[C@@H]1[C@@H]1CCCCCN1 19375168 CXDGODKFOPUAJM-CABCVRRESA-N 243.350 2.964 0 40 BFAB Cc1ccccc1O[C@H](C)CNC[C@@H]1CCCO1 19737894 QQMGUCADIKMKLI-KGLIPLIRSA-N 249.354 2.531 0 40 BFAB COc1ccc([C@H](C)NC[C@H]2CCCO2)cc1 19963607 NICCLSBWWUDBHY-SMDDNHRTSA-N 235.327 2.525 0 40 BFAB CC[C@H](C)CNc1ccc2c(c1)OCO2 20093015 NKURNCLAWDCGQM-VIFPVBQESA-N 207.273 2.873 0 40 BFAB O=C(O)c1ccc(CSC(F)F)cc1 20281825 ZEUCHMOFBNVMSA-UHFFFAOYSA-N 218.224 2.841 0 40 BFAB in-vitro NCC1(c2cccc(C(F)(F)F)c2)CC1 20429520 QLNBDTJGDJMHKX-UHFFFAOYSA-N 215.218 2.696 0 40 BFAB in-vitro O=C(O)C12CC3C[C@@H](C1)C(F)(F)[C@H](C3)C2 32625269 STPITGHNDOOTFQ-VZCHMASFSA-N 216.227 2.533 0 40 BFAB C[C@@H](NC(=O)c1cccn1C)c1cccc(F)c1 32983528 NVGRZERCIFNGDM-SNVBAGLBSA-N 246.285 2.655 0 40 BFAB Cn1cccc1/C=C\C(=O)c1ccccc1O 33374191 IFCXXDUCGVPWFF-HJWRWDBZSA-N 227.263 2.627 0 40 BFAB CN(CC(=O)O)Cc1ccc(Cl)cc1Cl 35084281 VVWNQYLKVAGFCO-UHFFFAOYSA-N 248.109 2.510 0 40 BFAB CS[C@H](C)C(=O)N[C@H](C)c1cccs1 40523436 IBDASKUUINCBKB-HTQZYQBOSA-N 229.370 2.677 0 40 BFAB CCCn1c(C(C)=O)nc2ccccc21 41058302 VQWIHHOUFCIELS-UHFFFAOYSA-N 202.257 2.649 0 40 BFAB C[C@H]1CCCCN1c1cc(N)c(Cl)cc1N 45891226 KXDNCAJBAHGGBS-QMMMGPOBSA-N 239.750 2.883 0 40 BFAB O=C(O)c1ccc(-c2ccccc2)nc1F 47211798 KIOCBLSWMMALPQ-UHFFFAOYSA-N 217.199 2.586 0 40 BFAB CCOc1ccc([C@H](O)c2ccc(N)cc2)cc1 53993795 YUVAUPWFMSEICG-OAHLLOKOSA-N 243.306 2.749 0 40 BFAB CC(C)Sc1ccc(Cc2nnc(N)o2)cc1 56900933 WIKROWXBKHMYKB-UHFFFAOYSA-N 249.339 2.743 0 40 BFAB in-vitro CCC(C)(C)NC(=O)CSC1CCCC1 58955607 QWTOUVHNFZDMBM-UHFFFAOYSA-N 229.389 2.967 0 40 BFAB COc1ccc(CCSc2nccn2C)cc1 60653938 TXZHQORMDKPNBF-UHFFFAOYSA-N 248.351 2.764 0 40 BFAB Nc1cccc(CSC2CCOCC2)c1 62053912 DVFCAYUNLOGXNC-UHFFFAOYSA-N 223.341 2.681 0 40 BFAB in-vitro C[C@H]1C[C@@H](SCc2ccccc2)C(=O)O1 65576091 OADPXXKPBOQIBJ-GXSJLCMTSA-N 222.309 2.624 0 40 BFAB CC(C)(N)COCc1ccc(Cl)cc1 70837685 BZGVOXSMLPJATG-UHFFFAOYSA-N 213.708 2.594 0 40 BFAB Cc1cc([C@@H]2CCCN2C)cnc1N1CCCC1 72218785 KXRRPSPZBMAQFC-AWEZNQCLSA-N 245.370 2.757 0 40 BFAB COc1cccc2c1c(Cl)c(C(=O)O)n2C 72220922 JPOPMPVZLVUGEI-UHFFFAOYSA-N 239.658 2.539 0 40 BFAB Cc1cc([C@H](C)O)cnc1N1CCCCCC1 72222485 YKVIFGFYCIGPTO-LBPRGKRZSA-N 234.343 2.824 0 40 BFAB Cc1ccnc([C@H]2CCCN2C2CCCC2)n1 72356823 FUAFOOKKABMJNC-CYBMUJFWSA-N 231.343 2.865 0 40 BFAB COc1ccc(Cn2cccn2)cc1Cl 95448500 OQIZIDGDFGJNIB-UHFFFAOYSA-N 222.675 2.593 0 40 BFAB Cc1cc(O)ccc1NC(=O)Nc1ccccn1 97166244 UPBLNVOPTJLHMF-UHFFFAOYSA-N 243.266 2.740 0 40 BFAB Cc1nccn1-c1cc(N)cc(C(F)(F)F)c1 114438226 BETRKLAUVABHFV-UHFFFAOYSA-N 241.216 2.782 0 40 BFAB Cc1occc1SCC[C@@H]1CCOC1=O 131433991 CVDGRWDLVSGXQQ-VIFPVBQESA-N 226.297 2.633 0 40 BFAB CCc1cccc(Br)c1N 137484543 DNFKGBMQWIKPFC-UHFFFAOYSA-N 200.079 2.594 0 40 BFAB COc1ccc(/C=C\[N+](=O)[O-])cc1Cl 212649643 XAEBQJANFSJNOD-PLNGDYQASA-N 213.620 2.596 0 40 BFAB CCCC[C@H]1C[C@@H](OCCC(C)C)CN1 217860087 UJINNRHMHFIPSU-QWHCGFSZSA-N 213.365 2.970 0 40 BFAB CC1=CC(C)(C)N(CC(=O)O)c2ccccc21 223185284 HNKORXTVIZQVRX-UHFFFAOYSA-N 231.295 2.773 0 40 BFAB Cc1cc(N(C)c2ccncc2)ccc1O 228917112 FXAHPVCCDTWHBU-UHFFFAOYSA-N 214.268 2.864 0 40 BFAB COc1cccc2cc(N)c(OCC3CC3)nc12 685938818 ZPOXNBXZQTZWRQ-UHFFFAOYSA-N 244.294 2.614 0 40 BFAB Cc1ccnc(N[C@@H]2OC(=O)c3ccccc32)c1 100262 NECOFFILDCZYNE-CYBMUJFWSA-N 240.262 2.671 0 40 BFAB FC(F)(F)c1ccccc1NC1=NCCO1 1614749 JPIGWUOESXBJJJ-UHFFFAOYSA-N 230.189 2.504 0 40 BFAB CCN(CC)CCSC(=O)c1ccccc1 1758040 MDDIJGKRBBOJDY-UHFFFAOYSA-N 237.368 2.902 0 40 BFAB C/C=C\C(=O)NCc1ccc2c(c1)cc(C)n2C 4924926 DBPXKXUYRJTMTM-PLNGDYQASA-N 242.322 2.679 0 40 BFAB CC(C)/C=C1/CC(=O)N(c2ccccc2)C1=O 5348539 YWEZIOIDHBBGKY-FLIBITNWSA-N 229.279 2.532 0 40 BFAB CNC(=S)Nc1c(C)cc(C)cc1C 5552493 ZWUSKPGCDPTJBW-UHFFFAOYSA-N 208.330 2.528 0 40 BFAB C[C@@H]1C[C@@H](C)CN(CCOc2ccccc2N)C1 8703265 VFGPXJNBIQKAMT-CHWSQXEVSA-N 248.370 2.626 0 40 BFAB CCC(C)(C)C(=O)Nc1cc(N)ccc1OC 8703556 DSOOPYTVWBJYJH-UHFFFAOYSA-N 236.315 2.652 0 40 BFAB O=C(O)/C=C/c1ccc(OC2CCCCC2)nc1 12359613 IJXDMGVEYUSJNI-VQHVLOKHSA-N 247.294 2.891 0 40 BFAB COc1ccc(Nc2ccc(C(=O)O)cn2)cc1 19844533 PRVHICPJDYLPCX-UHFFFAOYSA-N 244.250 2.532 0 40 BFAB Sc1nc2cncc(Cl)c2s1 35269895 QLIADIWLVOLEPK-UHFFFAOYSA-N 202.691 2.633 0 40 BFAB CCCNc1cc(Cl)ccc1C(=O)N(C)C 37123392 OUEWIQRQZGXRGQ-UHFFFAOYSA-N 240.734 2.864 0 40 BFAB O=C(CCc1ccco1)NC(C1CC1)C1CC1 42025353 CKEKERWLTZOYKJ-UHFFFAOYSA-N 233.311 2.517 0 40 BFAB O[C@@H](c1ccc(F)cc1F)C(F)(F)F 42268373 QBWJVZAJXYEFOE-ZETCQYMHSA-N 212.117 2.561 0 40 BFAB COc1ccccc1[C@H](C)NC(=O)[C@H]1C[C@H]1C 48390879 TXWFSBOJKQKTNF-SCVCMEIPSA-N 233.311 2.528 0 40 BFAB CC[C@@H](C)n1c(C)nc2cc(N)ccc21 52842001 GWWAZFDXKRDRBK-MRVPVSSYSA-N 203.289 2.898 0 40 BFAB CNCCCc1ccccc1Br 52948930 SNVJCLCBOJCEBU-UHFFFAOYSA-N 228.133 2.601 0 40 BFAB Fc1cc(Cl)c(Br)cn1 55161706 APIYUIGLEOJMIY-UHFFFAOYSA-N 210.433 2.637 0 40 BFAB Cc1cc([C@@H](O)c2ccccn2)ccc1F 55201256 LGTWFDRUFDTSGC-CYBMUJFWSA-N 217.243 2.611 0 40 BFAB CC(C)c1nc2ccc(NC(N)=O)cc2s1 66979912 LLVABPODUXAGKT-UHFFFAOYSA-N 235.312 2.910 0 40 BFAB Cn1c([C@@H]2CCCN2)cc2ccccc21 71477551 ORVOELVZVAOVQY-NSHDSACASA-N 200.285 2.603 0 40 BFAB C[C@@H](c1ccco1)N(C)C(=O)c1ccco1 71866978 SGYVYVLMPADUDL-VIFPVBQESA-N 219.240 2.706 0 40 BFAB CCCNc1ccc([C@H]2CCCN2C(C)=O)cn1 72213188 DQYLZAISPDNWQR-CYBMUJFWSA-N 247.342 2.587 0 40 BFAB CCCN1CCC[C@@H]1c1ccc(OC)nc1C 72218077 CRTAHBKGJFGZME-CYBMUJFWSA-N 234.343 2.946 0 40 BFAB CC(=O)N1CCCC[C@H]1c1ccsc1 72221709 XQMVRBLZFWYZEH-NSHDSACASA-N 209.314 2.822 0 40 BFAB c1cnc2ncn(C3CCCCC3)c2c1 72319826 VYYBQUGTAYYVJY-UHFFFAOYSA-N 201.273 2.937 0 40 BFAB c1ccc2ncc(C[C@@H]3CCCNC3)cc2c1 72366092 QJPWXCZYSLHBGN-LBPRGKRZSA-N 226.323 2.777 0 40 BFAB CC[C@H](C)S(=O)(=O)Nc1cccc(Cl)c1 75106592 LNRDLXIYUMZGGJ-QMMMGPOBSA-N 247.747 2.880 0 40 BFAB Cc1ccc(NC(=O)[C@@H]2CCCN(C)C2)cc1C 82322779 WDHJBSKPWOYCGA-CYBMUJFWSA-N 246.354 2.584 0 40 BFAB Nc1c[nH]c2cccc(Br)c12 82952769 WWIFDRGDMVZDKH-UHFFFAOYSA-N 211.062 2.513 0 40 BFAB Cc1ccc(Br)cc1[C@@H](C)N 83256195 WQPGMVARNYPTKS-SSDOTTSWSA-N 214.106 2.777 0 40 BFAB c1cn2c(n1)[C@H](CNCc1ccsc1)CCC2 84618512 PAZCNABEWJDGIS-LBPRGKRZSA-N 247.367 2.612 0 40 BFAB CCCCNC[C@H]1CCCN2CCCC[C@H]12 85389419 UQHMEAZLQPVXPC-ZIAGYGMSSA-N 224.392 2.641 0 40 BFAB Cc1cnc(NCc2cscc2C)nc1 87311141 XJOGFWROFGRDFO-UHFFFAOYSA-N 219.313 2.767 0 40 BFAB Cc1occc1C(=O)N1CCC[C@H]2CCC[C@H]21 89540595 IHDIPNADDDHPJB-DGCLKSJQSA-N 233.311 2.993 0 40 BFAB CSC[C@@H](C)N[C@@H](C)c1ccc(C)o1 96477988 LAHYIEMXUJHGJZ-SCZZXKLOSA-N 213.346 2.990 0 40 BFAB CC(C)[C@@H](NC(N)=O)c1ccc(Cl)cc1F 97081120 VQLIMOISDRTMGW-SNVBAGLBSA-N 244.697 2.845 0 40 BFAB Cc1ccc(C(=O)CC(=O)C(F)F)cc1C 100497219 IALCAMREMCZMLO-UHFFFAOYSA-N 226.222 2.710 0 40 BFAB CCN(CCCC(=O)O)c1cc(C)cc(C)c1 157763512 RUHBEEFGKGJHES-UHFFFAOYSA-N 235.327 2.995 0 40 BFAB CNc1cc(OC)cc(C(F)(F)F)c1 167707768 FRHVQFZGEMKTMG-UHFFFAOYSA-N 205.179 2.756 0 40 BFAB Nc1ccccc1N1CCC(CCF)CC1 409431588 SQNDXVSSEPQGTK-UHFFFAOYSA-N 222.307 2.845 0 40 BFAB COc1ccc(-c2cnn(CCF)c2)cc1 616576213 OVCFBRNCESUPSN-UHFFFAOYSA-N 220.247 2.528 0 40 BFAB O=C(c1c[nH]c2ccccc12)N1CC[C@H](CF)C1 711492974 WGTJPTNGYUALRX-SNVBAGLBSA-N 246.285 2.600 0 40 BFAB CC(C)(C)Oc1cccc2c1OCCO2 2362804933 VPBPYDBRSBAAQL-UHFFFAOYSA-N 208.257 2.635 0 40 BFAB COc1cc2c(C)cc(=O)oc2cc1Cl 35192 PSCCFVCBVVGBFZ-UHFFFAOYSA-N 224.643 2.763 0 40 BFAB biogenic CC1CCN(c2ncnc3ccccc23)CC1 37411 AWNQRPBJBSHQCI-UHFFFAOYSA-N 227.311 2.866 0 40 BFAB COC(=O)[C@H](C)CC(Cl)(Cl)Cl 162166 OVRCUXGUFNYSTQ-SCSAIBSYSA-N 219.495 2.556 0 40 BFAB O=C(Cc1cccs1)Nc1cccc(O)c1 365256 LMEQFLCVSMVKMU-UHFFFAOYSA-N 233.292 2.635 0 40 BFAB CCC(=O)Nc1ccccc1N1CCCC1 569800 HROIRDIZDHWFIP-UHFFFAOYSA-N 218.300 2.635 0 40 BFAB O=C(O)[C@@H]1CCCC[C@H]1C(=O)c1cccs1 1081363 OHEBPHKWGCMUNK-RKDXNWHRSA-N 238.308 2.822 0 40 BFAB O=C(O)c1ccccc1Nc1ccnc(Cl)n1 2316895 OOMWDVDTDKNMCP-UHFFFAOYSA-N 249.657 2.572 0 40 BFAB O=c1c(-c2ccccc2)c[nH]n1-c1ccccc1 3133795 XNWYPYFQYFUUTE-UHFFFAOYSA-N 236.274 2.833 0 40 BFAB CCC[C@H](O)[C@@](O)(CC)C1CCCCC1 3845077 IAHRBSOAUDQABP-QWHCGFSZSA-N 214.349 2.869 0 40 BFAB biogenic Cn1c(-c2ccc(Cl)cc2)csc1=N 5603663 RKNTZDQFIFZMAP-UHFFFAOYSA-N 224.716 2.886 0 40 BFAB Cc1ccc(C)c(C(=O)CCC(=O)NC2CC2)c1 6433389 GTTWDHWERZIZJZ-UHFFFAOYSA-N 245.322 2.545 0 40 BFAB COc1ccccc1CNC(=O)[C@@H]1CC=CCC1 7306066 QRTNFUNHSMHCHY-GFCCVEGCSA-N 245.322 2.668 0 40 BFAB O=C(NC1CCCC1)c1cc2ccccc2[nH]1 8076216 ZNKBBMZRJCPTSI-UHFFFAOYSA-N 228.295 2.840 0 40 BFAB C[C@H](C(=O)Nc1ccccc1)N1CCCCCC1 13074181 PMQSURAIUJQRHO-CYBMUJFWSA-N 246.354 2.890 0 40 BFAB C[C@@H](C(=O)Nc1ccccc1)N1CCCCCC1 13074183 PMQSURAIUJQRHO-ZDUSSCGKSA-N 246.354 2.890 0 40 BFAB Cc1cccc(-c2nc3ccccc3[nH]2)n1 13284844 XTCNWAFKRSFAFZ-UHFFFAOYSA-N 209.252 2.933 0 40 BFAB CCNCc1ccc(O[C@H](C)CC)cc1 19738119 KUWRKECADXKQKG-LLVKDONJSA-N 207.317 2.973 0 40 BFAB c1ccc2c(c1)CCN2CC[C@H]1CCCCN1 20180436 PKMSUWRWKROFMF-CQSZACIVSA-N 230.355 2.581 0 40 BFAB CN[C@@H](C)c1ccccc1Br 22222411 XECFTYRSJJZEDU-ZETCQYMHSA-N 214.106 2.730 0 40 BFAB in-vitro CCCN1C(=O)C(C)=C(C)[C@@H]1SCC 23477837 SIVFYBWSSQDPAH-NSHDSACASA-N 213.346 2.654 0 40 BFAB Cc1ccsc1C(=O)NCc1ccc(C)n1C 25467125 SBQRHHYKWFSGPV-UHFFFAOYSA-N 248.351 2.633 0 40 BFAB Nc1cccc(C(=O)c2ccc(F)cc2)c1 32013043 YELJAOYXDLKMGA-UHFFFAOYSA-N 215.227 2.639 0 40 BFAB O=C(O)C[C@H](c1cccs1)n1cccc1 32917882 FTRSAOIXKNWQMK-SECBINFHSA-N 221.281 2.614 0 40 BFAB in-vitro c1ccc2c(c1)nc(C1CC1)n2C1CCNCC1 36261454 VYZYRBUHNDCNJJ-UHFFFAOYSA-N 241.338 2.838 0 40 BFAB C[C@@H]1C[C@H]1c1cc(N)n(-c2ccccc2)n1 36938405 ZWVAZCFZYJSBEE-MWLCHTKSSA-N 213.284 2.578 0 40 BFAB in-vitro CCSCC(=O)c1cccc(OC)c1 37353137 YQYCIZJHJSALNN-UHFFFAOYSA-N 210.298 2.631 0 40 BFAB CC(C)(C)c1cn2nc(Cl)ccc2n1 38586078 AIKJUIAALVIMPQ-UHFFFAOYSA-N 209.680 2.680 0 40 BFAB C[C@H](Cc1ccco1)NC(=O)[C@@H]1CC=CCC1 40074712 NZQAQPUXSWLLRF-VXGBXAGGSA-N 233.311 2.683 0 40 BFAB CC(C)C[C@@H](C)N(C)C(=O)CC[C@@H]1CCCO1 40508847 NDNVIEWESSBOOK-OLZOCXBDSA-N 241.375 2.839 0 40 BFAB CC(C)(C)CC(=O)NCCc1ccsc1 40509560 MATQWOXGOLSRNO-UHFFFAOYSA-N 225.357 2.843 0 40 BFAB OC1=C(C2=NCCN2)CCC/C1=C\c1ccco1 57354880 RGZZTCUBBYWLNB-MDZDMXLPSA-N 244.294 2.661 0 40 BFAB CC(=O)Nc1ccc(-c2ccc(C(=O)O)o2)cc1 59956509 CUZVKMWKXHBTNG-UHFFFAOYSA-N 245.234 2.603 0 40 BFAB CCC[C@@H](C)C(=O)Nc1nnc(C2CC2)s1 60388479 ZYHTXFIEEHEKAI-SSDOTTSWSA-N 239.344 2.790 0 40 BFAB C[C@@H]1CCCCN1C(=O)[C@@H]1Cc2ccccc21 71916450 KQIIKRRNZJYVDH-BXUZGUMPSA-N 229.323 2.727 0 40 BFAB COc1ccccc1[C@H]1CCCCN1C 72221473 HTFMLIHDBUGANR-GFCCVEGCSA-N 205.301 2.852 0 40 BFAB CC[C@@H](N)c1ccc(Br)nc1C 72224005 ISZJMGRYDHDOSM-MRVPVSSYSA-N 229.121 2.562 0 40 BFAB Cc1cc(NC(=O)Cc2cccs2)ccn1 72281119 WZDAWCRDLJQJME-UHFFFAOYSA-N 232.308 2.633 0 40 BFAB O=c1c(-c2ccc(O)cc2)coc2ncccc12 75629406 KDQMAQGCHQTPFR-UHFFFAOYSA-N 239.230 2.561 0 40 BFAB Cc1cnc(N)nc1-c1cccc(Cl)c1 82442046 QVYHMPSBBVSJQH-UHFFFAOYSA-N 219.675 2.688 0 40 BFAB in-vitro CC(C)c1c(N)cnn1-c1ccccc1 85634239 DUBQDGHFTJXULH-UHFFFAOYSA-N 201.273 2.578 0 40 BFAB CCC[C@H](O)[C@H]1CCCN[C@@H]1c1ccccc1 95095235 QQUXYJDNGLNLKL-QLFBSQMISA-N 233.355 2.888 0 40 BFAB COC(=O)c1ccc(Br)c(S)c1 95097660 SKLZJZORQCPHTL-UHFFFAOYSA-N 247.113 2.524 0 40 BFAB CSc1cc(O)cc(Br)c1 95724345 GGJGTZACRBPWLB-UHFFFAOYSA-N 219.103 2.877 0 40 BFAB Cc1cccc2cc(C(=O)NC(C)C)oc12 139430905 NUYMHCFFZYXBML-UHFFFAOYSA-N 217.268 2.879 0 40 BFAB CC(C)NC(=S)Nc1cc(Cl)ccc1O 140255423 GCVXXTYIGXTQNH-UHFFFAOYSA-N 244.747 2.740 0 40 BFAB O=C([C@H]1CCCO1)N1CCC=Cc2ccccc21 190119045 QIBKQSPEZYMKNU-CQSZACIVSA-N 243.306 2.616 0 40 BFAB CC[C@@H]1Cc2[nH]ccc2[C@@H](C(C)C)N1C 223714656 FJMCVKFCWPJSRX-ZWNOBZJWSA-N 206.333 2.978 0 40 BFAB CCc1ccc(CNCc2ccccc2)n1C 226019578 VEIMZXHRMIYWHT-UHFFFAOYSA-N 228.339 2.877 0 40 BFAB Cc1noc(C)c1-c1ccc([C@@H]2CCCN2)nc1 257254768 KEOQYIFZMHARGU-LBPRGKRZSA-N 243.310 2.778 0 40 BFAB c1cncc(CNc2ncnc3ccccc23)c1 120298 VJINDJJSROPYGY-UHFFFAOYSA-N 236.278 2.637 0 40 BFAB CN(C(=O)c1ccc(N)cc1)C1CCCCC1 335307 VBQURISEJZGIJF-UHFFFAOYSA-N 232.327 2.674 0 40 BFAB CCN(CC)c1nc(C)nc2ccccc12 337633 MQUFDVBSDSPMEU-UHFFFAOYSA-N 215.300 2.784 0 40 BFAB Nc1[nH]nc(-c2ccc(Cl)cc2)c1Cl 376409 BIEVYOHMEIPPTQ-UHFFFAOYSA-N 228.082 2.966 0 40 BFAB CC(C)OC(=O)CCn1ccc2ccccc21 1562194 XLELSJIIIGUXID-UHFFFAOYSA-N 231.295 2.983 0 40 BFAB CCCCCC[C@H]1OC[C@H](CCCCO)O1 1674884 MICLGFWYTNNRFS-STQMWFEESA-N 230.348 2.861 0 40 BFAB CCOP(=O)(OCC)[C@H](N)CC(C)C 1707653 TVBLDWTXOYRRKF-VIFPVBQESA-N 223.253 2.583 0 40 BFAB CC1=CC[C@H]2CO[C@@H](c3ccc[n+](C)c3)[C@@H]1C2 4025328 QHCWCHOUDLMCMJ-YUELXQCFSA-N 230.331 2.555 0 40 BFAB biogenic CCCNC(=O)CSCc1ccccc1C 4689531 NEPOHSUAMMTYMB-UHFFFAOYSA-N 237.368 2.754 0 40 BFAB N=C(N)SCc1ccccc1Br 7715641 QKGCNDUPXQUAPW-UHFFFAOYSA-N 245.145 2.576 0 40 BFAB Cn1c(C(=O)O)ccc1-c1ccccc1F 11730411 GGCQFQKNZBLIHQ-UHFFFAOYSA-N 219.215 2.529 0 40 BFAB in-vitro Cc1cc([C@H]2CCCN2CC(=O)O)sc1C 12397331 GIRXFCBLYSHLDE-SNVBAGLBSA-N 239.340 2.586 0 40 BFAB Nc1cccc(NC(=O)COC2CCCCC2)c1 19256060 SDEHZHZGZLMGQQ-UHFFFAOYSA-N 248.326 2.557 0 40 BFAB COc1cccc(CN[C@H](C)C(C)C)c1 20305363 JPYHQCSJFGMNMH-LLVKDONJSA-N 207.317 2.829 0 40 BFAB CC(=O)Nc1nnc(-c2ccc(C(C)C)cc2)o1 20495993 NECUYZOXBUJCPA-UHFFFAOYSA-N 245.282 2.818 0 40 BFAB CCOC(=O)CCCc1ccc(OC)cc1 36426848 XHHMQNRSMWYAGX-UHFFFAOYSA-N 222.284 2.581 0 40 BFAB C[C@@H](Cc1cccs1)NC(=O)C1CCC1 38935396 YQHLGVIVFJEGCH-VIFPVBQESA-N 223.341 2.595 0 40 BFAB OC/C=C/c1ccc(Cl)cc1Cl 38951323 UDPMVWJTVXNMOD-OWOJBTEDSA-N 203.068 2.999 0 40 BFAB C[C@H](Sc1nncn1C)c1ccc(F)cc1 40456915 MZSUVFNJTXUCGC-QMMMGPOBSA-N 237.303 2.808 0 40 BFAB CCOC(=O)[C@@H](C)Sc1ccc(F)cc1 43638298 FNBPXICHXFBRPT-MRVPVSSYSA-N 228.288 2.869 0 40 BFAB CCCN(Cc1nc(C2CC2)no1)CC1CC1 45004036 BAXFDKLUEILBTP-UHFFFAOYSA-N 235.331 2.569 0 40 BFAB O=Cc1ccc(C(=O)COc2ccccc2)cc1 49830067 GUVOQAYPLGTKRC-UHFFFAOYSA-N 240.258 2.761 0 40 BFAB Cc1ccccc1-c1ccc(S)nn1 61966065 JTLUYKMESALWEN-UHFFFAOYSA-N 202.282 2.741 0 40 BFAB in-vitro CC(=O)c1cccc(Oc2ccc(C(=O)O)o2)c1 62702474 LFZDSHYFEDWKDU-UHFFFAOYSA-N 246.218 2.973 0 40 BFAB C[C@H]1CCCN(C(=O)c2cc(C3CC3)[nH]n2)CC1 65549026 YTGOPHAGXBSSKO-JTQLQIEISA-N 247.342 2.549 0 40 BFAB F/C(Br)=C(\F)Br 71614822 HATFLOWGZBUEIE-UPHRSURJSA-N 221.826 2.842 0 40 BFAB Nc1cc(OCC2CC2)c2ccoc2c1 72207440 HDMSODWHVNKBPH-UHFFFAOYSA-N 203.241 2.804 0 40 BFAB c1cc([C@H]2CCCCN2C2CCCC2)n[nH]1 72348419 YJPMDQFUBTUBTI-CYBMUJFWSA-N 219.332 2.879 0 40 BFAB O=C(NC1CC1)N1CCC[C@]2(CC=CCC2)C1 79349183 VCCJCRRYDROCDU-CQSZACIVSA-N 234.343 2.681 0 40 BFAB CCOc1ccc(Cl)c2sc(N)nc12 82727141 QIDNVTVPMYCRBC-UHFFFAOYSA-N 228.704 2.931 0 40 BFAB Clc1csc(CNC2CCOCC2)c1 86332382 XLTBIIURQANLHV-UHFFFAOYSA-N 231.748 2.670 0 40 BFAB CCOC(=O)c1cccc(C(F)F)c1 95634612 UYNCGOYCLOKACH-UHFFFAOYSA-N 200.184 2.801 0 40 BFAB CCOC(=O)C(=O)Sc1cccc(Cl)c1 95731092 NJYUWVNBXFJUAY-UHFFFAOYSA-N 244.699 2.522 0 40 BFAB COc1ccc(F)cc1C(=O)C(F)(F)Cl 95916943 FLPNVMPELBPSJK-UHFFFAOYSA-N 238.592 2.849 0 40 BFAB Cc1noc([C@H](C)SCc2ccccn2)n1 96494684 GRCRVVQGXPCOSI-QMMMGPOBSA-N 235.312 2.767 0 40 BFAB CCOC(=O)c1ccc(Cl)nc1C(F)F 96529364 VXEVCZOGWYFKGE-UHFFFAOYSA-N 235.617 2.849 0 40 BFAB O=C(O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)c1ccccc1 100310985 GGRGOXDLLVXREZ-CYDGBPFRSA-N 244.290 2.616 0 40 BFAB CCOC(=O)[C@H]1[C@H]2CCc3ccccc3[C@@H]21 101021650 XDYQDLVZJKAJBM-AVGNSLFASA-N 216.280 2.526 0 40 BFAB O=C1Nc2ccccc2[C@@H]1Cc1ccccc1O 104074269 JLQVAHNKZQMCGD-LBPRGKRZSA-N 239.274 2.671 0 40 BFAB CC(C)[C@H](NC[C@@H](C)O)c1ccc(F)c(F)c1 181906354 HWMBPMPBBYBYGA-RNCFNFMXSA-N 243.297 2.632 0 40 BFAB CC1(C)[C@H]2CC[C@@]1(C)[C@](O)(c1ccccc1)[C@@H]2O 196103408 LBJOLABNGPWNAP-XNISGKROSA-N 246.350 2.691 0 40 BFAB CCOC(=O)c1c(Cl)cc(OC)cc1OC 199565529 KUVCVAKWDPQFTQ-UHFFFAOYSA-N 244.674 2.534 0 40 BFAB CC(=O)c1cc(F)cc(Br)c1F 211153702 KPIVJNJZGIPENQ-UHFFFAOYSA-N 235.027 2.930 0 40 BFAB CCc1ncnc(Sc2nc(C)co2)c1F 225633478 QYTHQZRSWYZRQF-UHFFFAOYSA-N 239.275 2.626 0 40 BFAB O=C(Cc1ccc(F)cc1)N[C@@H]1C[C@H]2CC[C@H]1C2 260837126 DIWWJNQKJPNLED-SGMGOOAPSA-N 247.313 2.673 0 40 BFAB Cc1noc(-c2sc(C(C)C)nc2C)n1 334814221 OEHZTZDYQPCHGP-UHFFFAOYSA-N 223.301 2.933 0 40 BFAB CC(=O)OCC(=O)c1cc(Cl)cc(Cl)c1 382673694 HOEIUNSUYFGRCR-UHFFFAOYSA-N 247.077 2.739 0 40 BFAB COc1ccc2[nH]c(C3CC3)c(C)c(=O)c2c1 685938603 QCCYNTCDJSNLOU-UHFFFAOYSA-N 229.279 2.723 0 40 BFAB CCc1[nH]c2cc(F)ccc2c(=O)c1CC 685938819 ZPUOPWVMGMUCPG-UHFFFAOYSA-N 219.259 2.792 0 40 BFAB Fc1ccc2nc(N3CCC(F)(F)C3)oc2c1 1120032609 YONHIKMLFANVEM-UHFFFAOYSA-N 242.200 2.812 0 40 BFAB Cc1cc(Nc2ncnc(C)c2C)sn1 1565522591 VCTPFTUWMQKCHH-UHFFFAOYSA-N 220.301 2.602 0 40 BFAB CCc1cc(N2CCCCC2)nc(C2CC2)n1 1888850324 CSJIEQJYTQIRJE-UHFFFAOYSA-N 231.343 2.907 0 40 BFAB COc1ccc([C@@H](N)Cc2ccccc2)cc1 1580206 YIHSDPMXTWBNDR-HNNXBMFYSA-N 227.307 2.938 0 40 BFAB in-vitro O=C(O)[C@H](c1ccccc1)C1(O)CCCCCC1 1646377 YOOSLHMEUONDPN-ZDUSSCGKSA-N 248.322 2.940 0 40 BFAB CCOCCCNCc1ccc(C)cc1 2923957 JBTMOOMMXVDBBN-UHFFFAOYSA-N 207.317 2.511 0 40 BFAB O=C1OC(c2ccco2)=N/C1=C\c1cccs1 4588910 ICWDLELKWPAHQS-CLFYSBASSA-N 245.259 2.686 0 40 BFAB CC1(C)CN(CCc2c[nH]c3ccccc23)C1=O 5523127 JFGJOURRKRRRIX-UHFFFAOYSA-N 242.322 2.579 0 40 BFAB CC(=O)c1ccc(NC(=O)c2ccccn2)cc1 6947344 DVPZUSQPJVRHGV-UHFFFAOYSA-N 240.262 2.537 0 40 BFAB NCCCc1nc(-c2ccccc2)cs1 11632102 NTUDCTWSAJXITE-UHFFFAOYSA-N 218.325 2.701 0 40 BFAB Cc1cccc(NC(=O)NCc2ccccc2)n1 12462968 PKQNQVOOKSPFLY-UHFFFAOYSA-N 241.294 2.712 0 40 BFAB CC(=O)c1ccc(C(=O)Nc2ccccn2)s1 12523252 URLWLNAGGLFICG-UHFFFAOYSA-N 246.291 2.598 0 40 BFAB Cc1nc(C)c(Cc2ccc(Cl)cc2)c(=O)[nH]1 12653139 WRLWIMBQZJUUDF-UHFFFAOYSA-N 248.713 2.631 0 40 BFAB FCCOc1cccc(Br)c1 15042468 CWLIUMZAKGSQFJ-UHFFFAOYSA-N 219.053 2.797 0 40 BFAB O=C(O)c1nc(-c2cccs2)cs1 32012469 YOPZXZBRLUDDIY-UHFFFAOYSA-N 211.267 2.570 0 40 BFAB in-vitro Cc1ccccc1CN(C)C(=O)[C@@H]1C[C@@H]1C 33000273 OZIRTQZYWORYAY-WCQYABFASA-N 217.312 2.609 0 40 BFAB CC(C)Oc1cccc(/C=C/[N+](=O)[O-])c1 38534588 BUXFAOMWKWPOJC-VOTSOKGWSA-N 207.229 2.721 0 40 BFAB Clc1nccc(Oc2ccccc2)n1 39267915 HCMUSBXMZQRDCA-UHFFFAOYSA-N 206.632 2.922 0 40 BFAB in-vitro CC[C@H](C)Oc1cc(Cl)nc(C)n1 52835002 RNJQNJGTUUSIIQ-LURJTMIESA-N 200.669 2.616 0 40 BFAB Cc1cc(C(=O)N(C2CCCC2)C2CC2)on1 58723372 NBCWZFSAIUCUDH-UHFFFAOYSA-N 234.299 2.530 0 40 BFAB CNC(=O)CS[C@H](C)c1c(F)cccc1F 59831767 MUOGEWHSRBZYRY-SSDOTTSWSA-N 245.294 2.505 0 40 BFAB F[C@@H](C(F)(F)F)C(F)(F)Br 63146300 UBSZSCBAJXCXOO-PVQJCKRUSA-N 230.933 2.875 0 40 BFAB CC[C@@H]1CCCN(CCc2ccncc2)C1 65568483 ISKAYBGMRSBTEP-CYBMUJFWSA-N 218.344 2.746 0 40 BFAB Cc1cnn([C@@H](C)[C@H](C)NCc2cccs2)c1 69493157 OSLWIWBLUSZKHM-RYUDHWBXSA-N 249.383 2.992 0 40 BFAB C[C@@H]1C[C@@H](NCCCOc2ccccc2)CCO1 70361234 TZAVAFGXUPNSNZ-KGLIPLIRSA-N 249.354 2.613 0 40 BFAB CN(C(=O)C1C(C)(C)C1(C)C)c1cccnc1 73614757 FGIZDHSFBKYTMT-UHFFFAOYSA-N 232.327 2.727 0 40 BFAB CC(C)CC(=O)Nc1ccc2[nH]cnc2c1 74819833 QXMSXUSUMSPIJK-UHFFFAOYSA-N 217.272 2.548 0 40 BFAB Cc1nc2cc(N[C@@H]3CCSC3)ccc2n1C 75187638 WRDNHSHDCKBDIL-LLVKDONJSA-N 247.367 2.799 0 40 BFAB Nc1ccc(Br)cc1NC1CC1 83730633 OWPZYOFPXATQIS-UHFFFAOYSA-N 227.105 2.606 0 40 BFAB COCC1CCN(C[C@@H]2CC=CCC2)CC1 93103479 XHMHMTHSZOGRKO-CYBMUJFWSA-N 223.360 2.701 0 40 BFAB CCC1(COc2ccc(N)cn2)CC(C)C1 95093860 FAXIHPACZPGHET-UHFFFAOYSA-N 220.316 2.869 0 40 BFAB CCS(=O)(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 96510150 OOJNVQMEZFFVKW-GHMZBOCLSA-N 244.743 2.631 0 40 BFAB CC(C)c1nsc(NCCc2ccc[nH]2)n1 97047869 WDXPCWLGFKHHLO-UHFFFAOYSA-N 236.344 2.644 0 40 BFAB Cc1ccnc(NC(=O)N2C[C@@H]3CCC[C@H]3C2)c1 97372792 AANYGDVYYWPEBS-RYUDHWBXSA-N 245.326 2.654 0 40 BFAB CN(C)C(=O)c1cc(Cl)c2ccccc2c1O 98016408 JPCSGJHDCQEMFI-UHFFFAOYSA-N 249.697 2.901 0 40 BFAB O=C(N[C@@H]1C[C@@H]2CC[C@@H]1C2)c1ccccc1F 100404164 WJSFUWIGJYCFAX-GIPNMCIBSA-N 233.286 2.744 0 40 BFAB CCOC(=O)[C@@H]1[C@@H]2C[C@@H]3[C@@H](C[C@@]21C)C3(C)C 104051748 CQYRNURWODAYGR-TUYISWAISA-N 222.328 2.868 0 40 BFAB CC1=CC[C@@]23CC[C@H]([C@H](C)[C@H]2OC=O)[C@H]3C1 104230715 GKVRLIGSFZBWEX-MRTXSQPYSA-N 220.312 2.930 0 40 BFAB O=C(O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)c1ccccc1 135806353 GGRGOXDLLVXREZ-WUHRBBMRSA-N 244.290 2.616 0 40 BFAB CCCc1nc(-c2cccc(N)c2C)no1 140338602 YPZCGJDTVLFJFV-UHFFFAOYSA-N 217.272 2.580 0 40 BFAB NC[C@H](F)c1ccc(Cl)c(Cl)c1 156338200 FAZIHLGDTMYIPM-QMMMGPOBSA-N 208.063 2.963 0 40 BFAB CC(C)O[C@H](CN)Cc1ccc(Cl)cc1 204738157 GPHMEGCEFAVBCZ-LBPRGKRZSA-N 227.735 2.635 0 40 BFAB Cn1c(-c2cc3ccccc3n2C)n[nH]c1=S 228978533 VSITUZCSDFXJRF-UHFFFAOYSA-N 244.323 2.636 0 40 BFAB CC1=CC[C@H]2[C@](C)(CCC[C@@]2(C)CO)[C@@H]1CO 248341254 WAROSQLUUOOPIA-APIJFGDWSA-N 238.371 2.750 0 40 BFAB biogenic,in-vitro Cc1c[nH]c([C@H]2CCCN(CC(C)(C)C)C2)n1 257228181 FSRRSSIBRQHSNG-LBPRGKRZSA-N 235.375 2.944 0 40 BFAB Fc1ccc(C(F)(F)F)c2[nH]cnc12 258329844 BOWUPQJSZHTZKK-UHFFFAOYSA-N 204.126 2.721 0 40 BFAB NC1(c2ccc3c(c2)OC(F)(F)O3)CCCC1 258349487 QQBPMFZHIBMKJS-UHFFFAOYSA-N 241.237 2.736 0 40 BFAB CCOC(=O)c1ccc(C(=O)[C@H](C)Cl)s1 379855635 BYBOZHQAQJKSKV-LURJTMIESA-N 246.715 2.735 0 40 BFAB O=C(O)[C@@H]1C[C@H]1c1cccc(OCC(F)F)c1 408716647 PBYAJEUPVXBXEU-VHSXEESVSA-N 242.221 2.519 0 40 BFAB CN(C)c1nc2cc(Cl)ccc2cc1C=O 685937119 KYMYUUGBLBGRRL-UHFFFAOYSA-N 234.686 2.767 0 40 BFAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)CC)c1 365437 AOGJJAOLPJRMKT-JTQLQIEISA-N 249.310 2.848 0 40 BFAB COc1ccc2c(c1)S[C@@H](C)CC2=O 384049 RXQSTOOILJTLMH-ZETCQYMHSA-N 208.282 2.762 0 40 BFAB CN(C)c1ccc(NCc2ccncc2)cc1 576247 NVYVQHZMKZXTHK-UHFFFAOYSA-N 227.311 2.760 0 40 BFAB CCSC1=[N+](SCC)CCCS1 1712036 QXRBKWAKDFUWRO-UHFFFAOYSA-N 222.424 2.913 0 40 BFAB CCC(=O)[C@H](CCN(C)C)c1ccccc1 1996569 ZFQTWPRJPYNFEC-CYBMUJFWSA-N 219.328 2.701 0 40 BFAB CCC(CC)C(=O)Nc1ccc(N)c(C)c1 8703488 INGKXWXVIPIIAQ-UHFFFAOYSA-N 220.316 2.952 0 40 BFAB OCc1cc2ccc(F)cc2nc1Cl 11727614 XXMIFKLCBDXFLE-UHFFFAOYSA-N 211.623 2.520 0 40 BFAB O=C(O)[C@@H](Oc1ccccc1)c1ccccc1 11955616 ABUKMOCUMIPDHV-ZDUSSCGKSA-N 228.247 2.891 0 40 BFAB in-vitro Cc1ccccc1CNC(=O)NCc1ccco1 13021930 KJSHYWQKFADWHO-UHFFFAOYSA-N 244.294 2.587 0 40 BFAB O=C(CCc1ccncc1)Nc1ccccc1 13283702 JTIZJUPRWVKKEM-UHFFFAOYSA-N 226.279 2.653 0 40 BFAB COCCCOc1ccc(N)cc1C(F)(F)F 14630202 VHWMENURIZMCAB-UHFFFAOYSA-N 249.232 2.703 0 40 BFAB COc1ccccc1C1(C(=O)O)CCCC1 20429452 CWFCTYBNHJXKCV-UHFFFAOYSA-N 220.268 2.592 0 40 BFAB CCCc1cc(C(=O)Nc2ccc(C)cc2)[nH]n1 29508778 CMFVQULOYFNLLW-UHFFFAOYSA-N 243.310 2.923 0 40 BFAB N=C(N)c1c(F)cccc1OCc1ccccc1 36307604 MPYKULOKKOKBJY-UHFFFAOYSA-N 244.269 2.689 0 40 BFAB FC(F)(F)Cc1nc2ccccc2[nH]1 36533786 FLDKXVCDKRDTBS-UHFFFAOYSA-N 200.163 2.668 0 40 BFAB in-vitro O=Cc1ccc(OC(F)F)c(Cl)c1 37594104 SOADXOUDBMSWGQ-UHFFFAOYSA-N 206.575 2.754 0 40 BFAB in-vitro Cc1cc(Br)c2nccnc2c1 39121573 OJXHKRFUHPGXLS-UHFFFAOYSA-N 223.073 2.701 0 40 BFAB COc1ccc2nc(C(C)=O)sc2c1 45237405 LYFRQMFSTCKOIK-UHFFFAOYSA-N 207.254 2.508 0 40 BFAB CC(C)(C)C(=O)N1CCC[C@@H](c2ccccn2)C1 72361328 IRXGAYPOGRHZNM-GFCCVEGCSA-N 246.354 2.834 0 40 BFAB Cc1ccc2nc(C3=CCN(C)CC3)oc2c1 73636316 NMKJEGSCMJUDNW-UHFFFAOYSA-N 228.295 2.855 0 40 BFAB CC(C)c1noc(N2CCCCCC2)n1 89893652 IIDQOVHNDZORNS-UHFFFAOYSA-N 209.293 2.573 0 40 BFAB CC(C)COc1c(F)cc(F)cc1C=O 95732270 STJVHAQCBCEGKQ-UHFFFAOYSA-N 214.211 2.812 0 40 BFAB CC(C)COc1cc(C(=O)O)cc(F)c1F 95732436 RHYBXBJGDLRTLI-UHFFFAOYSA-N 230.210 2.698 0 40 BFAB CCOC1(OCC)C[C@@H]2C[C@H]1[C@H]1C=CC[C@H]21 95863158 XPTYNVVWIOVRPP-RNJOBUHISA-N 222.328 2.988 0 40 BFAB CC(C)=CCC[C@@H](C)NC[C@@]1(O)CCSC1 96479002 DTEJCKNIFINPIY-OLZOCXBDSA-N 243.416 2.579 0 40 BFAB CCOCCn1ccc(-c2ccccc2)n1 97082517 UDBANFAGKNEBOK-UHFFFAOYSA-N 216.284 2.587 0 40 BFAB CC(C)Oc1cc(C(=O)O)ccc1OC(F)F 166806352 KXXUFWHXCJFXHG-UHFFFAOYSA-N 246.209 2.773 0 40 BFAB CC[C@@H](C(=O)O)N(CC)c1ccc(C)c(C)c1 224983976 OTTIHNHCQJUERB-ZDUSSCGKSA-N 235.327 2.993 0 40 BFAB N#Cc1cccc(-c2ncc(C(F)(F)F)[nH]2)c1 225839144 DLBRONOZFLJSAH-UHFFFAOYSA-N 237.184 2.967 0 40 BFAB CN(c1ncnc2ccc(F)cc12)C1CCC1 301509953 BDKNMLXUDQWFJK-UHFFFAOYSA-N 231.274 2.758 0 40 BFAB COc1ccc(C(C)=O)c(Br)c1F 307311624 CETATZUSCGXIQS-UHFFFAOYSA-N 247.063 2.799 0 40 BFAB CCOC(=O)c1ccc(C(=O)[C@@H](C)Cl)s1 379855641 BYBOZHQAQJKSKV-ZCFIWIBFSA-N 246.715 2.735 0 40 BFAB CCc1nc(C)cc(OCc2ccccc2)n1 521398226 MQOHKXDXLZPZAO-UHFFFAOYSA-N 228.295 2.926 0 40 BFAB Fc1cccc(-c2cncc([C@H]3CCCN3)n2)c1 616575976 OFUWMSHZQBBMDD-GFCCVEGCSA-N 243.285 2.707 0 40 BFAB Cc1ccc2cccc(NC(=O)C3CC3)c2n1 204948 FXZOMSYCNIUMFO-UHFFFAOYSA-N 226.279 2.892 0 40 BFAB Cc1ccccc1CSc1nsc(N)n1 806645 NKTFYVOUPMNLNC-UHFFFAOYSA-N 237.353 2.721 0 40 BFAB O=C(Cc1ccccc1)OC[C@H]1C[C@@H]2C=C[C@H]1C2 1676807 MYZMQJUPBPHYEW-QLFBSQMISA-N 242.318 2.985 0 40 BFAB CCCCSc1ncc(C)c(NC)n1 1679770 AXGKYWULYGUYOP-UHFFFAOYSA-N 211.334 2.719 0 40 BFAB CO[C@@H](C)CCOC(=O)c1ccccc1C 1768521 MQXFMCBHZOROER-NSHDSACASA-N 222.284 2.577 0 40 BFAB Nc1ccc2c(c1)N=[N+]([O-])c1cc(N)ccc1C2 4707767 FYXDXHIWRLGMCA-UHFFFAOYSA-N 240.266 2.681 0 40 BFAB C[C@H]1CN(CCc2ccccc2)[C@H](C)CC1=O 4831874 OCHGEROFEPMAMC-QWHCGFSZSA-N 231.339 2.529 0 40 BFAB C[C@H](NC(=O)c1ccccc1F)C(C)(C)C 5515561 OGGGVYDWJRJKEB-VIFPVBQESA-N 223.291 2.990 0 40 BFAB C=C(C(=O)O)c1ccc2cc(OC)ccc2c1 5527390 MJWURUPGNUFKMR-UHFFFAOYSA-N 228.247 2.946 0 40 BFAB O=C(CCC1CCCCC1)Nc1ncccn1 5705261 DFSHUKBHKYHVTC-UHFFFAOYSA-N 233.315 2.776 0 40 BFAB COc1ccc(CC[C@H]2CCCCN2)cc1OC 8493690 NJKFNSIPOHFUJK-CYBMUJFWSA-N 249.354 2.779 0 40 BFAB Cc1ccc([C@H]2CC(=O)c3cn[nH]c3C2)cc1 8738502 YPSMBCQMEWWUON-LLVKDONJSA-N 226.279 2.631 0 40 BFAB Cc1cccnc1NC(=O)c1ccc(Cl)o1 12536830 LWYCYVXGVLVBMZ-UHFFFAOYSA-N 236.658 2.889 0 40 BFAB NC(=O)c1ccc(COc2cccc(F)c2)cc1 12943618 FKAGUBUVTYQQQI-UHFFFAOYSA-N 245.253 2.504 0 40 BFAB CCCCCNC(=O)c1cc(F)cc(F)c1 16638516 PWKCTAHBTJPDHA-UHFFFAOYSA-N 227.254 2.885 0 40 BFAB Cc1cccc(-c2c(O)cc(=O)[nH]c2Cl)c1 18008803 SCYBPECWYNVLHC-UHFFFAOYSA-N 235.670 2.709 0 40 BFAB O=C(O)CCNCc1ccc(Cl)cc1Cl 19787896 LPBOBLBZKKXQRP-UHFFFAOYSA-N 248.109 2.558 0 40 BFAB COc1cc(/C=C/c2ccncc2)ccc1O 19943836 IHIKWQDEXHMVOS-NSCUHMNNSA-N 227.263 2.966 0 40 BFAB Clc1ccc(OCCCNC2CC2)cc1 20361160 ZSRHLDBAMJHXSF-UHFFFAOYSA-N 225.719 2.861 0 40 BFAB Fc1ccccc1-c1nc2ccncc2[nH]1 27852649 DFXVIZQVJLSYOJ-UHFFFAOYSA-N 213.215 2.764 0 40 BFAB in-vitro Nc1nccn1Cc1ccccc1C(F)(F)F 37635543 VLQKMLYGLHEZKE-UHFFFAOYSA-N 241.216 2.532 0 40 BFAB CC(=O)c1cc(Br)c2ocnc2c1 41568982 MRPQKDWVFSDVPY-UHFFFAOYSA-N 240.056 2.793 0 40 BFAB Cc1cccc(COCC[C@H]2CCCNC2)c1 42771931 JLWRLBSRYUMYKH-CQSZACIVSA-N 233.355 2.901 0 40 BFAB CCNC(=O)c1occc1-c1ccccc1 48302252 NQDHVFMKIRKGNH-UHFFFAOYSA-N 215.252 2.696 0 40 BFAB CC(C)CC(=O)N(C)[C@@H](C)[C@H](O)c1ccccc1 52514020 INBVDWVAPFBTHE-WFASDCNBSA-N 249.354 2.613 0 40 BFAB CCCCn1c(CO)nc2cc(Cl)ccc21 64874403 UIYGWOGHILWNEH-UHFFFAOYSA-N 238.718 2.982 0 40 BFAB C[C@@H](CC(=O)NCc1cc[nH]n1)C1CCCCC1 71853765 LATRFEZNYVDDGH-NSHDSACASA-N 249.358 2.632 0 40 BFAB CCCCCCNCC1(COC)CCC1 96515655 YVCJEDLLERUCOP-UHFFFAOYSA-N 213.365 2.973 0 40 BFAB C[C@@H](Cc1c[nH]c2ccc(F)cc12)C(=O)O 96872765 BLEQJARIPMGEMW-ZETCQYMHSA-N 221.231 2.570 0 40 BFAB C[C@H](c1cccnc1)N(C)Cc1ccn(C)c1 97113722 KXVWSBPHVNKUBH-GFCCVEGCSA-N 229.327 2.613 0 40 BFAB Cc1nc2ccccc2n1C1C[C@H]2CC[C@H](C1)N2 100014235 BJGOIXDGNKKASK-VXGBXAGGSA-N 241.338 2.800 0 40 BFAB O=C(CC(=O)c1cccs1)c1ccco1 101787075 AUIPQBDMCXMCDU-UHFFFAOYSA-N 220.249 2.797 0 40 BFAB COc1ccc(Cl)c(CCC(=O)O)c1F 199765565 IXUGUPKOKROVSJ-UHFFFAOYSA-N 232.638 2.505 0 40 BFAB Cc1nc2oc(-c3ccccc3)nc2cc1N 225524053 TYLINFVKGSRNLT-UHFFFAOYSA-N 225.251 2.780 0 40 BFAB CCOc1cc(Br)cc(OC)c1 504788577 KFPDKCJCBFNTDF-UHFFFAOYSA-N 231.089 2.856 0 40 BFAB Cc1nnsc1CN(C)C1(C)CCCC1 570727638 RWWSDXRAUCFIIM-UHFFFAOYSA-N 225.361 2.611 0 40 BFAB Cc1cnccc1CCN1CCC12CCCC2 649658224 CWPHBVPUDRLLFZ-UHFFFAOYSA-N 230.355 2.951 0 40 BFAB O=C(Nc1ccncc1)[C@@H]1C[C@H]1c1ccccc1 461488 NOMFGVQIYPJHNJ-UONOGXRCSA-N 238.290 2.824 0 40 BFAB O=Cc1ccc(C(Cl)(Cl)Cl)nc1 1572046 BAXDMQSTUWWZCD-UHFFFAOYSA-N 224.474 2.721 0 40 BFAB CCCCc1ccc(NC(=O)CCC(=O)O)cc1 1870948 DCYYRLFAXWOTRI-UHFFFAOYSA-N 249.310 2.833 0 40 BFAB OC[C@@H](c1ccc(Cl)cc1)N1CCCCC1 3636303 IGVHAXNDDSSBHC-ZDUSSCGKSA-N 239.746 2.859 0 40 BFAB CNCc1nc(-c2ccccc2)cs1 3710596 IWMGARGHDMDXOO-UHFFFAOYSA-N 204.298 2.530 0 40 BFAB CCOc1ccc([C@@H]2CCCCN2)cc1 3734458 OOVFZXHTMKIPFL-ZDUSSCGKSA-N 205.301 2.900 0 40 BFAB C1=CN2C[C@H](c3cccs3)N=C2S1 4211973 RFOLEEQBNNSICL-SSDOTTSWSA-N 208.311 2.679 0 40 BFAB in-man CNC(=S)Nc1nc(-c2ccccc2)cs1 5375146 ILMZMSMKUKSDGD-UHFFFAOYSA-N 249.364 2.726 0 40 BFAB CCNC(=O)[C@H](C)Oc1cccc2ccccc12 8291458 ZYSGLIDSUFDSLC-NSHDSACASA-N 243.306 2.743 0 40 BFAB CCC[C@@H](N[C@H]1C=Cc2ccccc21)C(=O)O 8730651 KSKUMFZWVPHHSB-QWHCGFSZSA-N 231.295 2.597 0 40 BFAB CC(=O)c1cnc(N2[C@H](C)CCC[C@H]2C)nc1C 8731922 YQXVLIFVEFGIBQ-NXEZZACHSA-N 247.342 2.755 0 40 BFAB CSc1ncc(Nc2ncc(C)s2)cn1 9553373 AKASRBHYGAEWTQ-UHFFFAOYSA-N 238.341 2.707 0 40 BFAB CCNCc1ccc(-c2cccc(C(=O)O)c2)o1 13730338 ZVDZFBRGJGHMBS-UHFFFAOYSA-N 245.278 2.754 0 40 BFAB CC(C)[C@H](NCc1cccc(Cl)c1)C(=O)O 19787754 RQEWDLKDPJJMTM-NSHDSACASA-N 241.718 2.539 0 40 BFAB in-vitro CCCN(CCC)C(=O)c1ccnc(Cl)c1 19813431 XJTAJPXZSQYWFS-UHFFFAOYSA-N 240.734 2.997 0 40 BFAB NCc1cc(-c2ccc3c(c2)CCCC3)on1 20270361 AJAWSWNFDMUSLT-UHFFFAOYSA-N 228.295 2.679 0 40 BFAB CCCc1c(C)sc(N)c1C(=O)OCC 30834182 OQRFPSLYIKSWTO-UHFFFAOYSA-N 227.329 2.768 0 40 BFAB O=C(NC1CC1)N1CC=C(c2ccccc2)CC1 32843690 VOETVYANNNFCKG-UHFFFAOYSA-N 242.322 2.648 0 40 BFAB COc1ccc(-c2ccccn2)cc1OC 34597502 GDTGFWRUXZQNHK-UHFFFAOYSA-N 215.252 2.766 0 40 BFAB O=C(CCc1cccc(F)c1)NC1CCCC1 36396950 PIRNYPHORLBFFC-UHFFFAOYSA-N 235.302 2.817 0 40 BFAB Nc1cnc(-c2ccc(C(F)(F)F)cc2)nc1 36895532 VHJVKEFNWVQJNW-UHFFFAOYSA-N 239.200 2.745 0 40 BFAB O=C(Cc1ccccc1F)c1cccnc1 37464011 PPJGYIGKNLLBHI-UHFFFAOYSA-N 215.227 2.646 0 40 BFAB c1ccc2sc(NC[C@@H]3CCCNC3)nc2c1 40434210 AEJLLKSOAJUJFC-SNVBAGLBSA-N 247.367 2.708 0 40 BFAB Cc1cc(F)cc(C(=O)C(F)(F)F)c1 43505020 DYTIJUNDYQTOSH-UHFFFAOYSA-N 206.138 2.879 0 40 BFAB CC(=O)C1(C(C)=O)[C@H]2CC[C@@H]1c1ccccc12 45028053 DUGPNDFKVLESRG-OKILXGFUSA-N 228.291 2.826 0 40 BFAB NC1(Cc2ccc(F)cc2F)CCCC1 50885560 IOGLGWKGWZIFPD-UHFFFAOYSA-N 211.255 2.779 0 40 BFAB Nc1cc(Br)ccc1OC(F)F 57218986 UMLLZNUIVKDJHI-UHFFFAOYSA-N 238.031 2.633 0 40 BFAB NC(=O)[C@H]1C[C@H]1c1c(Cl)cccc1Cl 72406713 CFLBFLXWOILGEH-RITPCOANSA-N 230.094 2.582 0 40 BFAB O=C(c1ccc(F)cc1)c1ccc(O)c(F)c1 75872240 OJDWFMQQOBKHLC-UHFFFAOYSA-N 234.201 2.901 0 40 BFAB Fc1ccc(CNc2ncccn2)c(Cl)c1 83365302 HHMXUNZDFOXBFM-UHFFFAOYSA-N 237.665 2.881 0 40 BFAB CCCOc1ccc(N)c(Br)c1 95095540 RNXHBKDRWZOHJR-UHFFFAOYSA-N 230.105 2.820 0 40 BFAB CC(C)COc1cc(C(=O)O)ccc1F 95732462 VNDLLMBRNSSSRT-UHFFFAOYSA-N 212.220 2.559 0 40 BFAB c1ccc(SCCC2CCNCC2)nc1 95908648 CNYVAQNVMIWCHX-UHFFFAOYSA-N 222.357 2.563 0 40 BFAB CCC[C@@H](NCC(C)C)C(=O)OC(C)(C)C 95943143 HRUOTMZULXSUMR-LLVKDONJSA-N 229.364 2.742 0 40 BFAB CC(C)N(CCN[C@H](C)c1ccco1)C1CC1 95967734 MPCBWNWRGRYAEH-GFCCVEGCSA-N 236.359 2.803 0 40 BFAB C[C@H](C(=O)NC1CCCC1)c1ccccc1 96026223 LSNCNPGUJAFNAO-NSHDSACASA-N 217.312 2.849 0 40 BFAB CCCCCCOC(=O)[C@@H](N)Cc1ccccc1 96111315 BTJNEJYKDORDPM-AWEZNQCLSA-N 249.354 2.680 0 40 BFAB OCCC[C@H]1CCCN1CCC1CCCC1 96424253 GOJDLAPYJWSXCO-CQSZACIVSA-N 225.376 2.804 0 40 BFAB Nc1c[nH]nc1-c1cc(Cl)cc(Cl)c1 96527541 FENAGXULDYJKSN-UHFFFAOYSA-N 228.082 2.966 0 40 BFAB O=C(/C=C1\CCCCCN1)OCc1ccccc1 96528470 KFZLSVQPMWEXII-SDNWHVSQSA-N 245.322 2.777 0 40 BFAB Cc1oncc1NC(=O)c1coc2ccccc12 97032038 VLVKCKGVENQSDM-UHFFFAOYSA-N 242.234 2.982 0 40 BFAB CCCCCc1ccc(OCC(=O)O)cc1 98063836 DTVFPSLQRRXKQW-UHFFFAOYSA-N 222.284 2.883 0 40 BFAB O=c1cc(-c2ccccc2)[nH]n1-c1ccccc1 100781827 XUGMZXWEBJJQID-UHFFFAOYSA-N 236.274 2.833 0 40 BFAB in-vitro CC(C)(C)OC(=O)Cc1cc(F)cc(F)c1 199830214 GAYBFSSMYLDGQY-UHFFFAOYSA-N 228.238 2.849 0 40 BFAB FC(F)(F)c1ccc(NC2CCOCC2)cn1 214473604 SJWGLKBVFCSAKM-UHFFFAOYSA-N 246.232 2.691 0 40 BFAB Cc1sc2nc(=S)n(C)c(O)c2c1C 238937424 VGDYYYDMLKBWSD-UHFFFAOYSA-N 226.326 2.687 0 40 BFAB Cc1ccc([C@@H]2C[C@@H]2c2cc(N)on2)cc1 575424365 ZQQFCSLFNXDQFL-QWRGUYRKSA-N 214.268 2.836 0 40 BFAB COC(=O)COSc1ccc(Cl)cc1 1760620 CCGYQHMZCJASLU-UHFFFAOYSA-N 232.688 2.537 0 40 BFAB CN(C)C[C@@H](O)c1ccc2c3c(cccc13)CC2 2035887 RSCBPVHDUDQYCP-OAHLLOKOSA-N 241.334 2.533 0 40 BFAB COc1ccccc1[C@H](C(=O)O)c1ccccc1 2048527 CEIAQTSBIRBMGU-CQSZACIVSA-N 242.274 2.912 0 40 BFAB CC(C)N(C)CCOC(=O)/C=C/c1ccccc1 2180593 GYMDVIGVULZRNA-MDZDMXLPSA-N 247.338 2.583 0 40 BFAB CCCCOc1ccc(-c2nnc(N)s2)cc1 2293013 OACLVJZGKWIEAB-UHFFFAOYSA-N 249.339 2.966 0 40 BFAB CC[C@@H](CO)NCc1c(Cl)cccc1Cl 5907660 RJYJPPJXDIFVOH-QMMMGPOBSA-N 248.153 2.854 0 40 BFAB CCCCSc1ncnc2[nH]c(C)nc12 8581278 LAUWQMPJXXEKJV-UHFFFAOYSA-N 222.317 2.554 0 40 BFAB Cc1cc(C)cc(NCC(C)(C)C(=O)O)c1 8702844 BAHYMTUZNWTZCI-UHFFFAOYSA-N 221.300 2.826 0 40 BFAB CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)O 11959559 YIDWVTSSFOIVPL-SNVBAGLBSA-N 228.675 2.828 0 40 BFAB in-vitro CCn1cc(-c2cc3ccccn3c2C=O)cn1 12399098 YDCWJVIKCJTBET-UHFFFAOYSA-N 239.278 2.635 0 40 BFAB CC[C@@H](NCCCOC)c1ccc(OC)cc1 20142603 JOYGMHVPVHNNOM-CQSZACIVSA-N 237.343 2.772 0 40 BFAB Nc1ccc(NC(=O)C2CCC2)c(Cl)c1 20157137 VGOLPVOQEBTYDX-UHFFFAOYSA-N 224.691 2.661 0 40 BFAB NC(=S)Nc1nc2c(Cl)cccc2s1 22124992 XMSDXANUFGACLC-UHFFFAOYSA-N 243.744 2.605 0 40 BFAB O=C(CCc1ccc(Cl)cc1)NCC1CC1 32906089 WJJPRJNIMHCAHY-UHFFFAOYSA-N 237.730 2.799 0 40 BFAB C1=CC(=C2N[C@@H](Cc3ccccc3)CO2)C=C1 34636200 ZBPMVMOONHAPQX-AWEZNQCLSA-N 225.291 2.555 0 40 BFAB Cc1ccc(C(=O)Nc2c(C)n[nH]c2C)cc1 35134440 ODNZGYZKKHHJDZ-UHFFFAOYSA-N 229.283 2.587 0 40 BFAB O=C(O)c1cccn1-c1ccc(Cl)cc1 35431499 ZRNHXTSFGXRTRP-UHFFFAOYSA-N 221.643 2.829 0 40 BFAB Cn1cc(NCc2ccc(Cl)cc2)cn1 35737910 DICGZWLTBSNQTF-UHFFFAOYSA-N 221.691 2.686 0 40 BFAB COCOc1cc(Br)ccc1C 39120498 AFWQSGQDPKEPEQ-UHFFFAOYSA-N 231.089 2.740 0 40 BFAB Fc1ccc(-c2ccc(=S)[nH]n2)cc1 41214510 TXXAXYKLPACRHD-UHFFFAOYSA-N 206.245 2.945 0 40 BFAB in-vitro Cc1ccc(-c2ncccc2C(=O)O)cc1 41226831 MMPVYDGJZPRGFF-UHFFFAOYSA-N 213.236 2.755 0 40 BFAB CCOC(=O)c1nc(C(C)(C)C)cs1 42407147 DCHMVIBNJJRJQS-UHFFFAOYSA-N 213.302 2.617 0 40 BFAB in-vitro Nc1cc(-c2ccc(F)c(C(F)(F)F)c2)n[nH]1 43566654 DOVHDNOKUISQLJ-UHFFFAOYSA-N 245.179 2.817 0 40 BFAB Cc1ccc(C(C)C)c(OCC(=O)NC2CC2)c1 47209481 BSBIDEQVTHLPQY-UHFFFAOYSA-N 247.338 2.776 0 40 BFAB c1ccc2nc(NCC[C@H]3CCCO3)cnc2c1 47873306 QQDUYKOMVSWWRI-LLVKDONJSA-N 243.310 2.611 0 40 BFAB Cc1ccc(CN(C)C[C@H]2CCCO2)cc1 48343711 PMXSRURRTRHHQE-CQSZACIVSA-N 219.328 2.606 0 40 BFAB Cc1cccc(OCC(=O)N[C@H](C)C(C)C)c1C 49783154 FLDUQNJDWXNQHZ-CYBMUJFWSA-N 249.354 2.843 0 40 BFAB O=C(N[C@H]1CCCc2occc21)C1CCCC1 69375621 IGWNDVJKKSAUPU-LBPRGKRZSA-N 233.311 2.963 0 40 BFAB C[C@@H]1CCC[C@@H](C)N1C(=O)/C=C/c1ccccn1 69580600 WSZUVDRMUVAGNK-WGVUZWOWSA-N 244.338 2.884 0 40 BFAB Cc1ccccc1C(C)(C)CNC(=O)NC(C)C 72076511 GGCOVWRCUKHHPG-UHFFFAOYSA-N 248.370 2.980 0 40 BFAB Cc1cc(Oc2ccccc2)ncc1CO 72223147 MRYPOXZHKSAOII-UHFFFAOYSA-N 215.252 2.675 0 40 BFAB CCSc1nccc(-c2cn(CC)nc2C)n1 72334144 LDLHMSJNRBPQEX-UHFFFAOYSA-N 248.355 2.780 0 40 BFAB C[C@@H](c1cccc(Cl)c1)N(CCN)C1CC1 79421213 DPFPHWXJZGZBMU-JTQLQIEISA-N 238.762 2.824 0 40 BFAB CC(C)=CCC[C@@H](C)N[C@H]1CCc2[nH]ncc2C1 90454972 RUYGUJWLUBXEDO-OCCSQVGLSA-N 247.386 2.992 0 40 BFAB Cc1cc(C(=O)O)cc(C(F)(F)F)c1F 91252100 JBDVVWPLFZFUTO-UHFFFAOYSA-N 222.137 2.851 0 40 BFAB Cc1ccccc1SC(F)(F)CN 131750144 YJBCJVMASZWNRB-UHFFFAOYSA-N 203.257 2.639 0 40 BFAB Cc1cncc([C@H]2CCCN(C3CCCC3)C2)n1 205678936 XVNAFKLJZKLNEJ-ZDUSSCGKSA-N 245.370 2.907 0 40 BFAB CC(C)[C@@H]1C[C@H](C(=O)O)c2ccccc2N1 217548617 CYALGXBDAAHLKY-JQWIXIFHSA-N 219.284 2.695 0 40 BFAB CNCc1cccn1-c1ccccc1C 223679162 RVKDKNGHCFBQGX-UHFFFAOYSA-N 200.285 2.505 0 40 BFAB O=C(Cc1ccc(F)cc1)N[C@@H]1C[C@@H]2CC[C@@H]1C2 224522421 DIWWJNQKJPNLED-YRGRVCCFSA-N 247.313 2.673 0 40 BFAB CCN(c1cc(C)ccc1C)[C@H](C)C(=O)O 260677408 CUOOSPHYICZYPB-LLVKDONJSA-N 221.300 2.603 0 40 BFAB COc1cc(OC)cc(C(=O)[C@@H](C)Cl)c1 382684637 DRFIMPBJTOOWON-SSDOTTSWSA-N 228.675 2.514 0 40 BFAB Cc1cc(CO)c2c(Cl)cccc2n1 685937418 PDCQJSDFZQPFNQ-UHFFFAOYSA-N 207.660 2.689 0 40 BFAB Clc1cncc(OCc2ccccn2)c1 1888866464 NWOCFBZSVCRQKD-UHFFFAOYSA-N 220.659 2.709 0 40 BFAB COc1ccc(C(=O)N2CCC(C)CC2)cc1 29152 VUAQWLKBOXJFKX-UHFFFAOYSA-N 233.311 2.567 0 40 BFAB CCOc1ccc2ccccc2c1CN 4227557 GITNVKJPIGQEIY-UHFFFAOYSA-N 201.269 2.697 0 40 BFAB COc1cc(N2CCCCC2)c(OC)cc1C=O 4245502 IBKMQHGSMWOQDF-UHFFFAOYSA-N 249.310 2.507 0 40 BFAB CN(C)C(=S)SCc1cccs1 4536313 RTUBIJNFNMJZPD-UHFFFAOYSA-N 217.384 2.828 0 40 BFAB COc1ccc(CCC(=O)N2CCCCC2)cc1 6128026 BMAQZABVIDURLI-UHFFFAOYSA-N 247.338 2.640 0 40 BFAB Cc1cccc(COC(=O)c2ccccc2N)c1 6755702 BGBLCKLNBGJEBC-UHFFFAOYSA-N 241.290 2.934 0 40 BFAB CCC[C@@H](N[C@@H]1C(C)=Cc2ccccc21)C(=O)O 8730655 IODKUYZKWSNWCQ-ZIAGYGMSSA-N 245.322 2.988 0 40 BFAB CC(C)CC(=O)Nc1ccc2c(c1)CCC(=O)N2 8736283 FILKYUUTVJUZDM-UHFFFAOYSA-N 246.310 2.556 0 40 BFAB O=C(O)/C=C(/c1ccc(F)cc1)C1CC1 11628544 KVOQBQKMAXTLQM-YRNVUSSQSA-N 206.216 2.704 0 40 BFAB CC1=N[C@H]2C(C)=NN(c3ccccc3)[C@H]2N=C1C 16607954 MGCQYCXHUMKMKJ-UONOGXRCSA-N 240.310 2.513 0 40 BFAB CC(=O)CC(=O)Nc1ccc(C)cc1Cl 19413516 WZMYPGAPLAOSDX-UHFFFAOYSA-N 225.675 2.566 0 40 BFAB in-vitro Cc1ccccc1-c1csc2c(=O)[nH]cnc12 21658111 QQGOZUQZEAJJAN-UHFFFAOYSA-N 242.303 2.960 0 40 BFAB COC(=O)c1ccc2cc(OC(C)=O)ccc2c1 22008509 FEMLQRZUSKWKCM-UHFFFAOYSA-N 244.246 2.552 0 40 BFAB CCN(c1ccc(N)cn1)C1CCCCC1 22171970 IDAKWHSCYIVXFC-UHFFFAOYSA-N 219.332 2.823 0 40 BFAB CC(=O)c1cc(C)cc(Br)c1O 24863239 ARARNHPPXNXRPT-UHFFFAOYSA-N 229.073 2.666 0 40 BFAB COc1c(F)ccc(CCC(=O)O)c1Cl 35605852 XSBZMDZEWDUDHG-UHFFFAOYSA-N 232.638 2.505 0 40 BFAB c1ccc(N2CCN(CC3CCCC3)CC2)cc1 41291282 KVYYVZJDXOFJOZ-UHFFFAOYSA-N 244.382 2.999 0 40 BFAB CC(=O)c1ccccc1OCC[C@H]1CCCCN1 42771440 NRUMODQYKCOSFV-CYBMUJFWSA-N 247.338 2.800 0 40 BFAB CC(C)CC(=O)c1cc(F)cc(F)c1O 52068574 VGQCVWULPQYBKJ-UHFFFAOYSA-N 214.211 2.899 0 40 BFAB N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 57955871 PXTWNVJTRKQTQZ-VIFPVBQESA-N 245.153 2.921 0 40 BFAB in-vitro CCCOc1ccc2[nH]cc(C=O)c2c1 59731174 DTRQFJTZGXGSEX-UHFFFAOYSA-N 203.241 2.769 0 40 BFAB in-vitro CCCCCNCc1cnc(NCCC)nc1 62717690 IHXGOZGJMGAZQD-UHFFFAOYSA-N 236.363 2.578 0 40 BFAB COc1ccc(F)c(-c2cncc(C(=O)O)c2)c1 65347939 HGUIZXTVWQZGMU-UHFFFAOYSA-N 247.225 2.595 0 40 BFAB CC[C@H]1CCCN(CCc2ccncc2)C1 65568486 ISKAYBGMRSBTEP-ZDUSSCGKSA-N 218.344 2.746 0 40 BFAB N=C(NC[C@@H]1CC=CCC1)Nc1ccccc1 69418549 IFFCHGCMQHDOKW-GFCCVEGCSA-N 229.327 2.979 0 40 BFAB CCCN1CCCC[C@@H]1c1cnc(N)c(C)c1 72218458 KMAUKBWMNNOMBJ-CYBMUJFWSA-N 233.359 2.909 0 40 BFAB COc1ccc([C@H]2CCCCN2C(C)=O)cc1 72221527 XGBLYTQKGRHAKZ-CQSZACIVSA-N 233.311 2.769 0 40 BFAB Nc1cc(-c2ccc(C(=O)O)o2)ccc1Cl 73640308 OXEDLYKYFDBEEA-UHFFFAOYSA-N 237.642 2.880 0 40 BFAB CCN(CC(=O)O)c1cccc(Cl)c1Cl 76633295 MCJUQOKTKMIQOB-UHFFFAOYSA-N 248.109 2.904 0 40 BFAB COc1cccc(C2(CC(=O)O)CCC2)c1 84401953 JMXHTMYDCCDSPC-UHFFFAOYSA-N 220.268 2.592 0 40 BFAB C[C@H]1CSC(SCc2ccccn2)=N1 89522306 SUVBIVUDUBPQJP-QMMMGPOBSA-N 224.354 2.806 0 40 BFAB Cc1cccc(C(=O)N2CCC[C@@H]3CCC[C@H]32)n1 89688916 TWQCUDIFGZLDPJ-GXTWGEPZSA-N 244.338 2.795 0 40 BFAB Cc1ccc(CNc2ccc(F)nc2)o1 95431154 QFYGXNBPGYMCQP-UHFFFAOYSA-N 206.220 2.734 0 40 BFAB CO[C@@H](C)CCOC(=O)C1(c2ccccc2)CC1 96442913 FFKAFPRLSINJRF-LBPRGKRZSA-N 248.322 2.686 0 40 BFAB COCCN[C@H](C)c1c(F)cccc1Cl 96492340 JHNSPAFLRWJYHV-MRVPVSSYSA-N 231.698 2.776 0 40 BFAB CC[C@@H](NC[C@H]1CC=CCC1)c1cnn(C)c1 97228315 JPPDOLXTYOMHSS-GXTWGEPZSA-N 233.359 2.817 0 40 BFAB CCc1noc([C@@H](C)N[C@@H](C)c2ccc(C)o2)n1 97374008 JAAUNIKRWSKLFV-VHSXEESVSA-N 249.314 2.945 0 40 BFAB CC(C)c1noc(N2C[C@@H]3CC=CC[C@H]3C2)n1 98013794 ZVTKARIFQGIXJP-QWRGUYRKSA-N 233.315 2.595 0 40 BFAB Nc1cccnc1-c1c(F)cccc1F 98095524 MKXMMSMICMBQGT-UHFFFAOYSA-N 206.195 2.609 0 40 BFAB in-vitro Cc1ccc(C[C@@H]2C[C@H]2C(=O)O)cc1C 217823780 FTYLSIKEUCKWEW-VXGBXAGGSA-N 204.269 2.567 0 40 BFAB CCOC(=O)c1ccc(C)c(NC(=O)CC)c1 225740796 FZLIFOVYIGWATD-UHFFFAOYSA-N 235.283 2.520 0 40 BFAB Brc1ccc2c(c1)[C@@H]1C[C@H]1CN2 225812215 FBLPILAEIROBHI-POYBYMJQSA-N 224.101 2.978 0 40 BFAB Cc1[nH]c2ncnc(Cl)c2c1Br 238489773 OMAKLZYBUPXWQY-UHFFFAOYSA-N 246.495 2.682 0 40 BFAB COC(=O)CCC[C@@H]1CNc2cc(C)ccc2C1 256055050 YXJYMHODVKVPEM-LBPRGKRZSA-N 247.338 2.923 0 40 BFAB CCc1ccc(N(C)[C@H](CC)C(=O)O)cc1 260677393 CJSNCYFYGXVJLR-GFCCVEGCSA-N 221.300 2.548 0 40 BFAB CCc1ccc(N(CC)[C@H](CC)C(=O)O)cc1 260677401 CSRZWLMKQVMINV-CYBMUJFWSA-N 235.327 2.939 0 40 BFAB COc1cc(OC)cc(C(=O)[C@H](C)Cl)c1 382684639 DRFIMPBJTOOWON-ZETCQYMHSA-N 228.675 2.514 0 40 BFAB Cc1cc(-c2ccccc2)n([C@@H]2CCC[C@H]2O)n1 634632354 PGDDGHIZTXJPFC-UKRRQHHQSA-N 242.322 2.944 0 40 BFAB CCc1c(C2CC2)[nH]c2c(O)cccc2c1=O 685938196 GCNNRYXWPUOVGY-UHFFFAOYSA-N 229.279 2.674 0 40 BFAB C[C@H]1CC[C@@H](F)CN1C(=O)OC(C)(C)C 710673645 ZEQJYYLAFDMFAN-DTWKUNHWSA-N 217.284 2.744 0 40 BFAB CSc1nc(C)cc(N2CCCCCC2)n1 1889077176 YOWYKQQCAAGORD-UHFFFAOYSA-N 237.372 2.887 0 40 BFAB c1ccc(CC2(c3ccccc3)CNC2)cc1 2029446 IHYUPPBWXMLCAB-UHFFFAOYSA-N 223.319 2.770 0 40 BFAB in-vitro O=C(c1ccccc1)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)O 2570086 GGRGOXDLLVXREZ-MROQNXINSA-N 244.290 2.616 0 40 BFAB CCOCCCNCc1cccc(C)c1 2923723 SMQDFVCKCBCHMS-UHFFFAOYSA-N 207.317 2.511 0 40 BFAB CCCCC(=O)Nc1nc(C)c(C)s1 5458451 ZVDTUSGNBGRTKM-UHFFFAOYSA-N 212.318 2.889 0 40 BFAB CCN(CC)C(=O)[C@@H](C)Oc1ccc(C)cc1C 8479769 KOIHIYGUMWJDAB-CYBMUJFWSA-N 249.354 2.939 0 40 BFAB CCCC(=O)NCCc1c[nH]c2ccccc12 12031889 CONGMAIJMUNLHQ-UHFFFAOYSA-N 230.311 2.627 0 40 BFAB CC(C)CC(=O)N[C@@H]1CCc2ccccc21 12945616 VXHZDYDSEJRQIR-CYBMUJFWSA-N 217.312 2.836 0 40 BFAB CC(=O)[C@H](c1ccccc1)c1ccccn1 13208909 IQSRMRKJVJYMMG-CQSZACIVSA-N 211.264 2.803 0 40 BFAB CCN(C[C@@H]1CCCNC1)C1CCCCC1 19435640 PHFCZQZHJYWZDT-CYBMUJFWSA-N 224.392 2.641 0 40 BFAB COc1ccccc1[C@H]1NCCc2ccccc21 19624687 QCYWJYAVCVORST-INIZCTEOSA-N 239.318 2.930 0 40 BFAB CCNc1ccc(I)cc1 19772275 PXNMEMVYTRYCNH-UHFFFAOYSA-N 247.079 2.723 0 40 BFAB C[C@H](N)COc1ccc(Cl)c(Cl)c1 20059060 SBLULJADVSEPQC-LURJTMIESA-N 220.099 2.719 0 40 BFAB CCC[C@@H](C)Nc1nc(C)c(C(=O)O)s1 20156575 PIQZZCZSDXTTCP-ZCFIWIBFSA-N 228.317 2.750 0 40 BFAB CCNC(=O)c1ccccc1SC(C)C 20612853 KPTZIKXTVLLIRY-UHFFFAOYSA-N 223.341 2.937 0 40 BFAB O=C(O)c1ccc2ccc(C(F)(F)F)nc2c1 22014886 WEFALJALMGHWBI-UHFFFAOYSA-N 241.168 2.952 0 40 BFAB CCCCNC(=O)CCC(=O)c1ccc(C)cc1 27531111 VSWMJAGPVJJUII-UHFFFAOYSA-N 247.338 2.874 0 40 BFAB Cc1ccc(CN(C)C(=O)C(C)(C)C)o1 32667697 XUFXALNYACNEBZ-UHFFFAOYSA-N 209.289 2.593 0 40 BFAB Cc1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)c(C)c1 33019162 YXGZIGDPZVGKST-BETUJISGSA-N 247.338 2.553 0 40 BFAB C[C@H]1CCCN(C(=O)c2cc(Cl)ccn2)C1 36804044 UNSWOZHXRYDQLP-VIFPVBQESA-N 238.718 2.607 0 40 BFAB CCOC(=O)C[C@H]1CCc2ccccc21 39207193 GYOFMIPAKYRMQS-LLVKDONJSA-N 204.269 2.670 0 40 BFAB in-vitro CC[C@H]1CCCCN1C(=O)CC[C@H]1CCCO1 40505765 KFNWMMBKCVDUQE-QWHCGFSZSA-N 239.359 2.737 0 40 BFAB COc1ccc([C@@H](O)C(F)(F)F)c(Cl)c1 41043166 XRDILTZZANPHPJ-MRVPVSSYSA-N 240.608 2.944 0 40 BFAB C[C@H](CO)Oc1cccc2ccccc12 41211043 JBVJVSQWTXVULV-SNVBAGLBSA-N 202.253 2.599 0 40 BFAB O=C(Nc1ccc(F)cc1Cl)NC1CC1 43263331 JZMJWSKYPHDRRE-UHFFFAOYSA-N 228.654 2.763 0 40 BFAB Cc1nn(-c2ccc(F)cc2)c(N)c1Cl 43664948 QCYFGDHVYIWTHJ-UHFFFAOYSA-N 225.654 2.555 0 40 BFAB CCCSc1nnc(-c2cccnc2)o1 44865818 IDSYBAQTWGGZPO-UHFFFAOYSA-N 221.285 2.634 0 40 BFAB Cc1sc2nc(-c3ccco3)[nH]c(=O)c2c1C 47681720 SHNKMTWKCNRVAC-UHFFFAOYSA-N 246.291 2.861 0 40 BFAB Cc1nc(Cl)ccc1[C@@H]1CCCCN1C=O 72217932 UFEVYJDRGQNWBP-NSHDSACASA-N 238.718 2.727 0 40 BFAB Cc1cc(-c2cnc(N(C)C)nc2C(C)C)on1 72398409 AEJZHIHOOAYYKZ-UHFFFAOYSA-N 246.314 2.629 0 40 BFAB Nc1cccc(-c2nc3cnccc3s2)c1 83967664 BZJWECOBXMNRHB-UHFFFAOYSA-N 227.292 2.941 0 40 BFAB CCCCNc1ccccc1CC(=O)N(C)C 84744676 BQQVYMNXWSKUME-UHFFFAOYSA-N 234.343 2.529 0 40 BFAB Brc1cccc2c1C1(CC1)CNC2 91366365 SDZNOTOEMRHPPA-UHFFFAOYSA-N 238.128 2.584 0 40 BFAB CC[C@H](NC[C@H]1CC=CCC1)c1noc(C)n1 95434075 TWFHNFKRMPQBHT-RYUDHWBXSA-N 235.331 2.775 0 40 BFAB Cc1ccccc1CN[C@@H](CCO)C(C)(C)C 95995947 MVXGUNPIYLEYGH-AWEZNQCLSA-N 235.371 2.882 0 40 BFAB CCC[C@@]1(CC(=O)O)CCOC(C)(C)C1 96113656 JFKRDLLWUDENQB-LBPRGKRZSA-N 214.305 2.837 0 40 BFAB biogenic CC[C@@]1(OC)CCN(Cc2ccccc2)C1 96511317 DMBPFRSWONQBQP-CQSZACIVSA-N 219.328 2.688 0 40 BFAB C=CC(=O)N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 101192518 YBIUHEWITUKHPU-GIPNMCIBSA-N 207.317 2.503 0 40 BFAB c1ccc(C2(C3CCNCC3)CC2)cc1 107436454 RDNLXJFZOCKNKD-UHFFFAOYSA-N 201.313 2.718 0 40 BFAB COC(=O)CC[C@@]1(c2ccccc2)CCCC1=O 1755860 ZUBFBJXFVJOUKU-OAHLLOKOSA-N 246.306 2.631 0 40 BFAB O=C(COc1ccccc1)c1ccccc1O 2559135 OIFBGVKQUVURTH-UHFFFAOYSA-N 228.247 2.654 0 40 BFAB CCn1nc(C)c(NC(=O)C2CCCC2)c1C 2764635 LFCNMQQZTTVRBF-UHFFFAOYSA-N 235.331 2.649 0 40 BFAB CC[C@H](Oc1ccccc1)C(=O)N(CC)CC 4723560 GBQNEVCYILKLFB-ZDUSSCGKSA-N 235.327 2.712 0 40 BFAB CSC1=NC(C)(C)NN1c1cccc(C)c1 4745143 KJNOMOHVBDYXLE-UHFFFAOYSA-N 235.356 2.775 0 40 BFAB O=c1[nH]c(=S)c2c(n1C1CCCC1)CCC2 8737548 YPXBARIQGLGNNT-UHFFFAOYSA-N 236.340 2.510 0 40 BFAB Clc1cc(Cl)c2c(c1)NCCO2 16083053 PJOPBLNKTYANCM-UHFFFAOYSA-N 204.056 2.798 0 40 BFAB CCc1nc(C)cn1C(=S)Nc1ccccc1 16162533 ZBQOYJIFWRBWQF-UHFFFAOYSA-N 245.351 2.999 0 40 BFAB CCCCC(=O)Nc1ccc(N)cc1F 20157246 VWAJSKREODHGJO-UHFFFAOYSA-N 210.252 2.537 0 40 BFAB C[C@@H](CC(=O)c1cccc(Cl)c1)C(=O)O 32178860 LTEAZNXORJPLBP-ZETCQYMHSA-N 226.659 2.634 0 40 BFAB C[C@@H]1CCCCN1C(=O)c1ccc(Cl)o1 32727122 AQAJGVYUVGISJX-MRVPVSSYSA-N 227.691 2.948 0 40 BFAB CC[C@@H](C)N(CC(=O)O)Cc1ccccc1F 33468493 SJHLZNROYFPOEM-SNVBAGLBSA-N 239.290 2.511 0 40 BFAB CCC(=O)N[C@H](C)c1cc(C)sc1C 36393856 URSBLEDXQSWQFR-MRVPVSSYSA-N 211.330 2.952 0 40 BFAB Clc1nc(Cl)c2cscc2n1 39271343 FUFRGBBMQQJFMJ-UHFFFAOYSA-N 205.069 2.998 0 40 BFAB CC(C)c1noc(CSc2ccccn2)n1 40049437 FJHARZDNFYERPF-UHFFFAOYSA-N 235.312 2.880 0 40 BFAB CCc1noc(CN2CCC[C@@H]3CCCC[C@@H]32)n1 40489629 XOCYQZCCOAOUEI-RYUDHWBXSA-N 249.358 2.787 0 40 BFAB CCCc1ccccc1NC(=O)N1CCOCC1 44080252 PPLCVRKCILZSTH-UHFFFAOYSA-N 248.326 2.503 0 40 BFAB Clc1ccc2nncc(N3CCCC3)c2c1 46087302 QFTBQHJJMCDXSU-UHFFFAOYSA-N 233.702 2.883 0 40 BFAB c1ccc(CN(C[C@H]2CCOC2)C2CC2)cc1 46091878 WVDANQLNZBZRDO-CQSZACIVSA-N 231.339 2.688 0 40 BFAB CCC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 55274557 FISZKMZDSPXLAU-JGVFFNPUSA-N 223.238 2.634 0 40 BFAB CCCc1sc(C(=O)N(C)C)cc1CC 57027078 JUKZNORWRCZENS-UHFFFAOYSA-N 225.357 2.965 0 40 BFAB Cc1ccc(OCCCCn2cncn2)c(C)c1 58159007 KGBRQXWGZOVDBY-UHFFFAOYSA-N 245.326 2.754 0 40 BFAB Cc1cc([C@@H]2CCCN2)cnc1N1CCCCC1 72219142 UINTUGLIGBYMIC-AWEZNQCLSA-N 245.370 2.805 0 40 BFAB CCC(C)(C)CNC[C@H]1CCCn2ccnc21 84721051 UJFHQRWCGKZOQZ-GFCCVEGCSA-N 235.375 2.786 0 40 BFAB O=C(O)c1cnc(/C=C/c2ccccc2)o1 85388654 CHBUJUSUOIWWJK-VOTSOKGWSA-N 215.208 2.543 0 40 BFAB Cc1cccc2cc(CNCC(C)C)c(=O)[nH]c12 89261566 HUUCEDGENOSBFH-UHFFFAOYSA-N 244.338 2.582 0 40 BFAB Cc1cc(NCc2ccncc2)nc(C2CC2)n1 95416423 GPYUUFZZIMFJRT-UHFFFAOYSA-N 240.310 2.670 0 40 BFAB Cc1cc(Cl)ccc1Oc1nn(C)cc1N 95836633 HNZMLPFQNOVYNX-UHFFFAOYSA-N 237.690 2.756 0 40 BFAB COC[C@H](Cc1ccccc1)Nc1cccnc1 95969115 ILHRKVLYPGMUFU-HNNXBMFYSA-N 242.322 2.751 0 40 BFAB CSCC[C@H](C)N(C)c1nc(C)cc(C)n1 95972057 UIROGISJRVHYCM-NSHDSACASA-N 239.388 2.671 0 40 BFAB c1ccc([C@]23O[C@@H]4[C@H]5[C@H]6C[C@@H]([C@@H]52)[C@@H]2[C@H]6[C@@H]4[C@@H]23)cc1 100400677 DNZSZQJIFXZSPG-SZMSSYHFSA-N 236.314 2.668 0 40 BFAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NCc1ccccn1 104734638 VPZNRCARLBPTFC-RWMBFGLXSA-N 244.338 2.524 0 40 BFAB CCc1ccc(CC(=O)N[C@@H](C)C(C)C)cc1 129794030 MIKKHDCQFYAYDQ-LBPRGKRZSA-N 233.355 2.952 0 40 BFAB CCc1ccccc1NC(=O)c1cnc(C)nc1 169953994 UAUGFVDLAJAVGH-UHFFFAOYSA-N 241.294 2.600 0 40 BFAB Cc1ccc(-c2cn3ccccc3n2)cc1N 206578353 IYAYRINPFDQCMA-UHFFFAOYSA-N 223.279 2.892 0 40 BFAB CCCc1ccc(C[C@H]2C[C@@H]2C(=O)O)cc1 217824081 STLVKYXJZKBASY-STQMWFEESA-N 218.296 2.902 0 40 BFAB Cc1cc(-c2noc(C3CC3)n2)ccc1N 225173407 LDRFEPFTHTXHTP-UHFFFAOYSA-N 215.256 2.505 0 40 BFAB CC1=CCC[C@H](C)[C@@H]1CNC[C@H](C)C[C@@H](C)O 252587629 ZNGVJEXTUVATIK-FAAHXZRKSA-N 239.403 2.975 0 40 BFAB CCCn1ccc(CNCCc2ccccc2)n1 256053156 QGTKBIUJKKMUFN-UHFFFAOYSA-N 243.354 2.625 0 40 BFAB Cn1nc(C2CC2)cc1NCc1cccc(O)c1 256053848 TWSDYVZPROMXQC-UHFFFAOYSA-N 243.310 2.615 0 40 BFAB FC(F)n1ccc(NCCc2ccccc2)n1 256054138 VBOWSSNWLKWQDL-UHFFFAOYSA-N 237.253 2.933 0 40 BFAB Cc1ccc([C@@H]2C[C@H]2c2cc(N)on2)cc1 575424366 ZQQFCSLFNXDQFL-WDEREUQCSA-N 214.268 2.836 0 40 BFAB Cc1cc(NC2(C)CC(F)(F)C2)nc(C)n1 720971770 WUAFAKAWZGZVEH-UHFFFAOYSA-N 227.258 2.693 0 40 BFAB OC[C@@]12CCCC[C@@H]1CN(Cc1ccccc1)C2 1772715861 CKEIPBZJHXSCTL-CVEARBPZSA-N 245.366 2.671 0 40 BFAB O=C(O)C=Cc1ccc(C(F)(F)F)cc1 1857775665 ANRMAUMHJREENI-UHFFFAOYSA-N 216.158 2.803 0 40 BFAB Cc1cccc(Nc2ncnc(C)c2F)c1 1888863895 ACHFVUUZKZFMNF-UHFFFAOYSA-N 217.247 2.976 0 40 BFAB CC1(C)C[C@]23C(=O)CCC(=O)[C@@]2(C)CC[C@H]13 1410174 PLFWLYJWPAOEIB-FZQKWOKYSA-N 220.312 2.751 0 40 BFAB O=C(Nc1ccc(Cl)cn1)c1ccccc1 1507133 RBITUHRFBJZRJD-UHFFFAOYSA-N 232.670 2.987 0 40 BFAB CS(=O)(=O)c1ccc(-c2ccccc2)cc1 3600390 KPLBNSVPNZGZEH-UHFFFAOYSA-N 232.304 2.757 0 40 BFAB CCCCC(CCCC)N[C@@H](C)CO 5523613 ZLNGBTRWHWZHIU-NSHDSACASA-N 201.354 2.706 0 40 BFAB CC(C)C(=O)N[C@@H]1CCSc2ccccc21 12936305 ZGLUZJBCPVGFND-LLVKDONJSA-N 235.352 2.996 0 40 BFAB CCCCCOc1cc(CO)ccc1OC 20032469 XVYWIYGUZCUOKH-UHFFFAOYSA-N 224.300 2.757 0 40 BFAB CCC(=O)CC(=O)c1ccc(Cl)cc1 20375820 HCOWJMBVCOCHFP-UHFFFAOYSA-N 210.660 2.892 0 40 BFAB Clc1cccc(-c2noc(NC3CC3)n2)c1 21365123 IMZWLPRAEQBJNW-UHFFFAOYSA-N 235.674 2.964 0 40 BFAB CCN(C(=O)c1ccccc1Cl)C1CC1 32760899 UDMDGBFJGTXDEP-UHFFFAOYSA-N 223.703 2.965 0 40 BFAB Cc1ccoc1C(=O)N(C)C1CCCCC1 32784522 FLFVDCQIJSYEED-UHFFFAOYSA-N 221.300 2.993 0 40 BFAB C[C@H]1Cc2ccccc2N1C(=O)[C@H]1C[C@H]1C 32975279 LJAPGMXRDZGHSK-SCVCMEIPSA-N 215.296 2.620 0 40 BFAB CNC(=O)[C@@H](C)Sc1ccccc1Cl 39982341 GQOYWHNFLQNMSV-SSDOTTSWSA-N 229.732 2.567 0 40 BFAB COCCN(C)[C@@H](C)c1ccc(C)cc1 47959454 DRKXIYPGASJDOA-LBPRGKRZSA-N 207.317 2.634 0 40 BFAB CN[C@H]1CCc2cc(Br)ccc21 48449755 FPWFSFCOYKIKMO-JTQLQIEISA-N 226.117 2.656 0 40 BFAB S=C(NC1CC1)NC1(c2ccccc2)CCC1 53581056 YSVHDUNDLQQPJV-UHFFFAOYSA-N 246.379 2.692 0 40 BFAB CCOc1ccc([C@](C)(O)C2CC2)cc1 55192051 QMQMNGVZMUOOBQ-CYBMUJFWSA-N 206.285 2.703 0 40 BFAB COc1ccc(CCC(=O)N[C@H](C)C(C)C)cc1 57160043 XLLNMRBXOGQNMY-GFCCVEGCSA-N 249.354 2.789 0 40 BFAB CC(C)n1cnnc1SCc1cccnc1 58656335 BWTNIYLZAVWIRJ-UHFFFAOYSA-N 234.328 2.546 0 40 BFAB CCN1CCC[C@H]1c1cccnc1SC 72216933 BVNQPNPGSFHYFG-NSHDSACASA-N 222.357 2.960 0 40 BFAB Cc1ncccc1C(=O)N1CC[C@H](CC(C)C)C1 73188845 JGNMFTJGKFFOIS-CYBMUJFWSA-N 246.354 2.898 0 40 BFAB CCc1nc2cncc(Br)c2o1 79058135 AMHXDXSOKYQXFX-UHFFFAOYSA-N 227.061 2.548 0 40 BFAB Cc1ccc2c(CC(C)(C)N)c[nH]c2c1 82381487 IQRMAAOAPIQGLY-UHFFFAOYSA-N 202.301 2.756 0 40 BFAB CCNCc1cccn1Cc1ccccc1 82784116 ZKZWPNKJTYUHRS-UHFFFAOYSA-N 214.312 2.646 0 40 BFAB COc1cc2c(cc1OC)[C@H](C)NC[C@H](C)C2 84228311 JJNWWBVSBLQJNC-ZJUUUORDSA-N 235.327 2.547 0 40 BFAB in-vitro CC(C)COC[C@H](C)NC(=O)C1(C)CCCC1 84544397 ULQBNBLVAZBVJR-LBPRGKRZSA-N 241.375 2.744 0 40 BFAB CCc1cccc2sc(NCCN(C)C)nc12 85436323 YFBPKFWGNGCVFO-UHFFFAOYSA-N 249.383 2.832 0 40 BFAB Cc1cnc(Br)c2cnsc12 95698982 GAMVKTLGAGLFCH-UHFFFAOYSA-N 229.102 2.762 0 40 BFAB CCC1(C(=O)Nc2ccc(F)c(N)c2)CCC1 97019478 LQUJCPPOBZTURY-UHFFFAOYSA-N 236.290 2.927 0 40 BFAB C/C(=C/c1ccc2c(c1)CCO2)c1cnccn1 97098188 KQPKAOXKZLFGES-FLIBITNWSA-N 238.290 2.972 0 40 BFAB O=C(CC[C@H]1CCCO1)OC[C@@H]1CC=CCC1 97213160 AWIUNVJQQPDLIL-CHWSQXEVSA-N 238.327 2.845 0 40 BFAB Cc1c(Br)cc(C=O)n1C(C)C 225299760 LMKLHRXHHAROSH-UHFFFAOYSA-N 230.105 2.952 0 40 BFAB CCOC(=O)c1cc(OC)c2ccc(F)cc2n1 685936986 GXPUUYJARYGUGJ-UHFFFAOYSA-N 249.241 2.559 0 40 BFAB CC(C)(C)OC(=O)N1CC[C@@]12CCCC(=O)C2 953102190 SFPUOYBPDKGTIK-CYBMUJFWSA-N 239.315 2.509 0 40 BFAB C[S@@](=N)(=O)Cc1ccccc1Br 1565504918 LSDYKTMANUARPD-GFCCVEGCSA-N 248.145 2.626 0 40 BFAB CCCCCCC(=O)CC(=O)OCCC 1688198 KUEIWILHSLMLPS-UHFFFAOYSA-N 214.305 2.869 0 40 BFAB CC1=C2CCOC2=Nc2ccccc2O1 1714211 YPBUTSAQUWDGFV-UHFFFAOYSA-N 201.225 2.803 0 40 BFAB C[C@H]1CCc2c(sc3ncnc(N(C)C)c23)C1 3458141 SYQYGMYLOKJBRT-QMMMGPOBSA-N 247.367 2.882 0 40 BFAB c1cc(N2CCCC2)ccc1N1CCCC1 5117199 LAHRGLSDDYENEO-UHFFFAOYSA-N 216.328 2.887 0 40 BFAB CN1c2ccccc2C(C)(C)[C@]12CC=NO2 5500178 SELZFPWJTBQJEE-CYBMUJFWSA-N 216.284 2.516 0 40 BFAB Cc1csc(Nc2cccc(C(=O)O)c2)n1 9265992 BUGIDDGFQCUIHQ-UHFFFAOYSA-N 234.280 2.893 0 40 BFAB CCc1ccc(/C=C/C(=O)Nc2cc(C)on2)o1 11689820 JRTHGSHNTZBVJM-VOTSOKGWSA-N 246.266 2.790 0 40 BFAB Cc1ccc2nc(C(F)(F)F)cc(NN)c2c1 13284383 GNYJUSTUTPCKDZ-UHFFFAOYSA-N 241.216 2.848 0 40 BFAB CN[C@H](Cc1ccccc1)c1ccco1 17023736 OJYCNSIKWPZXHW-GFCCVEGCSA-N 201.269 2.783 0 40 BFAB Nc1nnc(-c2cc3c(s2)CCCC3)s1 19874357 MSSCIHVVLPBIQB-UHFFFAOYSA-N 237.353 2.728 0 40 BFAB N[C@@H](c1ccc(F)c(F)c1)C(F)(F)F 19968501 DJPOWOYWMLEUNF-ZETCQYMHSA-N 211.133 2.527 0 40 BFAB CCCNC(=O)[C@H](C)Nc1cc(C)ccc1C 20312141 MHKRNKBBORPNEE-LBPRGKRZSA-N 234.343 2.630 0 40 BFAB Cc1[nH]c2c(C(=O)NC3CC3)cccc2c1C 32777794 URSCUIFIWRRCRO-UHFFFAOYSA-N 228.295 2.677 0 40 BFAB Cc1ccc(C)c(-c2n[nH]c(N)c2C)c1 36936111 CNRFSJGPXACYAW-UHFFFAOYSA-N 201.273 2.584 0 40 BFAB C[C@@H](Nc1ccn(C)n1)c1ccc(F)cc1F 37560520 YCSCVQGXDYQABR-MRVPVSSYSA-N 237.253 2.871 0 40 BFAB OC[C@H](Nc1ccccc1)c1ccccc1 38112765 SZYXTSZZPUQJNB-AWEZNQCLSA-N 213.280 2.832 0 40 BFAB O=Cc1c[nH]c(-c2ccc(Cl)cc2)n1 38974378 VGVWJBPVCVTHNB-UHFFFAOYSA-N 206.632 2.543 0 40 BFAB O=C1CCOc2cc(Cl)c(Cl)cc21 39261190 KKDHVYHUAYOZCR-UHFFFAOYSA-N 217.051 2.959 0 40 BFAB CN(C)c1ccc(-c2cccc(CO)c2)cc1 40174856 DWJCJGHCVWSEOZ-UHFFFAOYSA-N 227.307 2.912 0 40 BFAB Cc1ccccc1[C@H]1CN(C(=O)C(C)C)CCO1 41395312 HZXKSVHWNHYORE-CQSZACIVSA-N 247.338 2.551 0 40 BFAB CSc1ccc(-c2noc(CC(C)=O)n2)cc1 45918718 FUORYDMJOQYUPV-UHFFFAOYSA-N 248.307 2.590 0 40 BFAB CNC(=O)N(C)C1CCC(c2ccccc2)CC1 46905865 KHAWZUGEEZHQSB-UHFFFAOYSA-N 246.354 2.984 0 40 BFAB Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccco2)nc1 49376564 UOVCFOVTDOHRQN-GHMZBOCLSA-N 242.278 2.725 0 40 BFAB CN(Cc1cn2ccccc2n1)c1ccccc1 61745094 RLWURKBHRBANCA-UHFFFAOYSA-N 237.306 2.971 0 40 BFAB O=C(NC12CC3CC(CC(C3)C1)C2)c1cc[nH]c1 68226869 MCKTWHCDXOUWCZ-UHFFFAOYSA-N 244.338 2.713 0 40 BFAB O=C(NC1CC1)N(CC1CC1)C1CCCCC1 69222290 PIAQIEDTADBSID-UHFFFAOYSA-N 236.359 2.903 0 40 BFAB Cc1ccncc1NCc1ccc2c(c1)OCO2 71412946 MKORYNJMTPKWIG-UHFFFAOYSA-N 242.278 2.731 0 40 BFAB c1ccc(C2(N3CCNCC3)CCCCC2)cc1 71559434 HUCAAGSASVUYGP-UHFFFAOYSA-N 244.382 2.751 0 40 BFAB c1ccc([C@H]2CCCN2Cc2ccncc2)nc1 72187765 QKAVUAYXHUEGIE-OAHLLOKOSA-N 239.322 2.814 0 40 BFAB OCC1(c2cc(-c3ccc(F)cc3)on2)CCC1 72220658 SEELLIYRKIXROB-UHFFFAOYSA-N 247.269 2.895 0 40 BFAB C[C@H]1CO[C@@H](c2ccc(Br)cc2)O1 72232644 WOCBWSCCRJGLJG-OIBJUYFYSA-N 243.100 2.883 0 40 BFAB Cc1cc(C)nc([C@H]2CCCN(C(C)C)C2)n1 72356992 UATRVSULFIGKJG-ZDUSSCGKSA-N 233.359 2.681 0 40 BFAB CCCCNC(=O)Cc1cc(C)ccc1C 74959568 VRRKNFARFJBLKV-UHFFFAOYSA-N 219.328 2.762 0 40 BFAB CCOc1cc(C(=O)O)cc2ccccc12 82319595 NZOFCGYHKYGXHC-UHFFFAOYSA-N 216.236 2.937 0 40 BFAB Cc1ccc(N)c(N2CCC[C@H](C)C2)c1 87149405 SFERVORLGBJEAX-NSHDSACASA-N 204.317 2.814 0 40 BFAB CC(C)Cn1cc(NCc2ccncc2)cn1 90199564 YLZVGSBZRLUDJI-UHFFFAOYSA-N 230.315 2.546 0 40 BFAB Oc1c(C(F)(F)F)cncc1C(F)(F)F 91252416 XWXOMFALFZJLGS-UHFFFAOYSA-N 231.095 2.825 0 40 BFAB in-vitro COC1CCC(N(C)Cc2ccc(C)o2)CC1 93414913 FLVSEYMDQHVZGF-UHFFFAOYSA-N 237.343 2.977 0 40 BFAB O=C(Cc1ncccn1)c1ccc(Cl)cc1 95096698 FYTPDZWPROAYCO-UHFFFAOYSA-N 232.670 2.555 0 40 BFAB CC(=O)N1CCC2(CCc3ccccc32)CC1 96079389 ZSSJNCDOXNHJQQ-UHFFFAOYSA-N 229.323 2.513 0 40 BFAB CCNC(=O)N(C)[C@@H](C)Cc1ccc(C)cc1 96415185 RIQRPERRNXNRIU-LBPRGKRZSA-N 234.343 2.587 0 40 BFAB CCN(CC)CCCN1CCSC(C)(C)C1 97105649 MKYXJTOZCQFPAM-UHFFFAOYSA-N 244.448 2.546 0 40 BFAB CC(C)n1cc2cc(C(=O)O)sc2c1 169676682 AEYYXFRVXVQVHM-UHFFFAOYSA-N 209.270 2.982 0 40 BFAB CC(C)Cn1cc(-c2ccccc2O)cn1 218802202 RVPVHYSVOKAXKH-UHFFFAOYSA-N 216.284 2.912 0 40 BFAB CCOc1ccccc1-n1cccc1C(=O)OC 223736785 YMJVGJDUJXPXGO-UHFFFAOYSA-N 245.278 2.663 0 40 BFAB CCn1ccc(CNc2nn(C(C)C)cc2C)n1 256050801 GOUFQUBERDWJDE-UHFFFAOYSA-N 247.346 2.601 0 40 BFAB COC1CCN(Cc2ccc(C)s2)CC1 271021501 BERRAPZPPGDAMP-UHFFFAOYSA-N 225.357 2.667 0 40 BFAB Cc1cccc(O[C@@H](C)c2cccnc2)n1 585654396 HPZHUGXYBMQDDE-NSHDSACASA-N 214.268 2.925 0 40 BFAB CCOC(=O)c1ccc([C@@H]2CCCCN2)cc1 616614961 AZMULAKKDFWOJZ-ZDUSSCGKSA-N 233.311 2.678 0 40 BFAB O=C(Nc1ccncc1)OCc1ccccc1 189553 BYXMESOVSKFXEB-UHFFFAOYSA-N 228.251 2.830 0 40 BFAB CCOC(=O)COc1c(C)cccc1Cl 1732117 FIIITIRQQDNNIH-UHFFFAOYSA-N 228.675 2.590 0 40 BFAB O=C(c1ccc(Cl)nc1)N1CCCCCC1 3296447 XRUSOMUVFCDBRN-UHFFFAOYSA-N 238.718 2.751 0 40 BFAB O=C(NCc1ccccc1F)c1cccc(F)c1 5630819 BWINHRFMBOQXIJ-UHFFFAOYSA-N 247.244 2.895 0 40 BFAB CCC1=N/C(=C\c2ccc(C)cc2)C(=O)O1 6308375 BLNPHDGYEJSVCF-FLIBITNWSA-N 215.252 2.701 0 40 BFAB O[C@H](c1ccco1)c1nc2ccccc2s1 6576521 RRLUEBUFZLWEBS-LLVKDONJSA-N 231.276 2.971 0 40 BFAB Cc1ccc(CNCc2ccc[nH]2)cc1 6600479 QTKWCFUPLYMIQW-UHFFFAOYSA-N 200.285 2.613 0 40 BFAB C[C@H]1CCC[C@H](C)N1NC(=O)Cc1ccccc1 7787238 VSXLRHWWXXDYSN-STQMWFEESA-N 246.354 2.523 0 40 BFAB Fc1ccc([C@@H]2NCCOc3ccccc32)cc1 11802755 IWUNDLZGGUDCNH-HNNXBMFYSA-N 243.281 2.897 0 40 BFAB CC[C@H](C)NC(=O)[C@@H]1Cc2ccccc2S1 12894314 ZWLUHHNAQOLHGM-CABZTGNLSA-N 235.352 2.618 0 40 BFAB CCN(CC)C(=O)c1ccc2c(c1)CCC2 12978851 LVIZSHYAZVTJLX-UHFFFAOYSA-N 217.312 2.657 0 40 BFAB COc1cccc(CC[C@H]2CCCCN2)c1 13483614 XUYIUFDWIAWRKK-CYBMUJFWSA-N 219.328 2.770 0 40 BFAB CC/C=C/C(=O)O[C@H](C)C(=O)Nc1ccccc1 17131971 RHYAVEIZPBVVQZ-LLMHMKPQSA-N 247.294 2.523 0 40 BFAB CCCN[C@@H](C)c1ccc(OC)c(F)c1 19428443 DEMVVVMFOFLBDV-VIFPVBQESA-N 211.280 2.895 0 40 BFAB Cc1cccc(C(=O)Cc2ccccn2)c1 20427173 BSAOCMFXHXZAFJ-UHFFFAOYSA-N 211.264 2.815 0 40 BFAB C[C@H](NC(=O)c1cccnc1)c1cccs1 23079539 WOGNOWISQCBQIW-VIFPVBQESA-N 232.308 2.634 0 40 BFAB NCc1cccc2c1CN(Cc1ccccc1)C2 30678442 UXAZXMXGESTEHL-UHFFFAOYSA-N 238.334 2.661 0 40 BFAB CCCC(=O)Nc1ccc(-c2cc[nH]n2)cc1 31561653 QELYWTKSQKNBKM-UHFFFAOYSA-N 229.283 2.815 0 40 BFAB c1ccc2oc(-c3ccnc4nncn34)cc2c1 32089662 SUQLGNDGOYGXIY-UHFFFAOYSA-N 236.234 2.538 0 40 BFAB COc1ccccc1-c1nc(C)c(CO)s1 33465377 JSYOLKSUNPUUBA-UHFFFAOYSA-N 235.308 2.619 0 40 BFAB CCCN[C@@H](C)Cc1ccc(OC)cc1 34563169 JWELTLIBENGORQ-NSHDSACASA-N 207.317 2.626 0 40 BFAB COC[C@H](C)N[C@@H]1C[C@H](C)CC(C)(C)C1 35708383 WKXDJQJXMDXLBS-SDDRHHMPSA-N 213.365 2.826 0 40 BFAB CCCOC(=O)c1cn(C)c2ccccc12 35973671 XQTBAJFKTDYQDD-UHFFFAOYSA-N 217.268 2.745 0 40 BFAB Cc1ccccc1S(=O)(=O)Cc1ccccc1 39260615 BJYFWJNJRKCIDJ-UHFFFAOYSA-N 246.331 2.969 0 40 BFAB C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)O 40377496 MRVJHZZQDZTGDM-SSDOTTSWSA-N 248.200 2.848 0 40 BFAB NC1(c2nc(-c3cccs3)no2)CCCCC1 41032780 XOPBVSYYBYQCQL-UHFFFAOYSA-N 249.339 2.916 0 40 BFAB COC[C@@H](C)Nc1ccccc1Br 53172253 RESDJCQTDKZPLW-MRVPVSSYSA-N 244.132 2.896 0 40 BFAB Cc1n[nH]c(C)c1NC(=O)C=C(C1CC1)C1CC1 58367449 FSPUPABMHVBHBX-UHFFFAOYSA-N 245.326 2.711 0 40 BFAB CN(CCc1ccncc1)C(=O)CC(C)(C)C 63487989 AGMGSMXLIHHQJI-UHFFFAOYSA-N 234.343 2.519 0 40 BFAB CC[C@H](C)C(=O)N1CCC[C@H](C(F)(F)F)C1 65491045 HAEVUMVRGZSTNO-IUCAKERBSA-N 237.265 2.833 0 40 BFAB CCCCC[C@H](C)NC(=O)CCCCN(C)C 69375678 WAKGMTYGNVYQAV-ZDUSSCGKSA-N 242.407 2.803 0 40 BFAB Clc1cccnc1SC[C@@H]1CCOCO1 69738083 PMVBHOBDHOMZRV-QMMMGPOBSA-N 245.731 2.590 0 40 BFAB CCCN1CCCC[C@@H]1c1cccnc1N 72212434 VZMQFYHZYNRAFR-GFCCVEGCSA-N 219.332 2.601 0 40 BFAB CC[C@H](O)c1cnc(N2CCCCC2)c(C)c1 72222459 LGOJPGMDVPEYHQ-ZDUSSCGKSA-N 234.343 2.824 0 40 BFAB Cc1nc(N(C)c2ccccc2)ccc1C(=O)O 72224378 ZETHKWSBSHJKCI-UHFFFAOYSA-N 242.278 2.856 0 40 BFAB Cc1ccc(Br)cc1[C@H](C)O 77306801 WYFCLJSIQYAEOX-ZETCQYMHSA-N 215.090 2.811 0 40 BFAB COCCC1(CN[C@@H]2CCCC2(C)C)CC1 90537395 WRFKRYGJECNTNY-GFCCVEGCSA-N 225.376 2.971 0 40 BFAB CC[C@H](C)NCc1cccc(C)c1OC 95094810 LKLCLFFVEJZAIN-NSHDSACASA-N 207.317 2.892 0 40 BFAB CC(=O)Cc1cccc(C(F)(F)F)c1F 95913018 GVZQMWSAQIMJPU-UHFFFAOYSA-N 220.165 2.976 0 40 BFAB CCc1cccc(N(C#N)C[C@@H]2CCOC2)c1 95965171 WRMKHMJWINYBHO-ZDUSSCGKSA-N 230.311 2.573 0 40 BFAB O=C(/C=C/c1ccoc1)NCCc1ccsc1 96120204 YXFGPQRVUUJBJL-OWOJBTEDSA-N 247.319 2.713 0 40 BFAB CCNC(=O)N1CC[C@H](C)C[C@H]1c1ccco1 98014293 SNMYLAKOJYWUJB-QWRGUYRKSA-N 236.315 2.782 0 40 BFAB O=C(C[C@H]1C(=O)Nc2ccccc21)c1ccco1 101471717 TXSDIDNEDFBHLE-SNVBAGLBSA-N 241.246 2.588 0 40 BFAB c1ccc(CCN2C[C@@H]3CCC[C@H]3C2)cc1 148676744 AIBOGTVZFBNCIG-GJZGRUSLSA-N 215.340 2.961 0 40 BFAB COc1ccc(NC(=O)C2(C)CCCC2)cn1 225880709 RFOLRAQMRSZNTR-UHFFFAOYSA-N 234.299 2.609 0 40 BFAB COc1ccc(-c2cccc(C(=O)O)c2)c(C)n1 563204264 PRUNETHYZUWHMT-UHFFFAOYSA-N 243.262 2.764 0 40 BFAB CCOc1nc2cccc(Cl)c2cc1N 685937443 PRJWOYOBRPLNHS-UHFFFAOYSA-N 222.675 2.869 0 40 BFAB CN(C)c1ccc(-c2ccc(C=O)c(O)c2)cc1 1889122758 FCQTVDUYUSQEFK-UHFFFAOYSA-N 241.290 2.938 0 40 BFAB Fc1ccc(-c2nnc3ccccn23)cc1 135055 MYVCXARJBZTJOH-UHFFFAOYSA-N 213.215 2.535 0 40 BFAB O=C1Nc2ccccc2[C@@H]1Cc1ccccc1 157106 SJEHQYIHAFTLMS-ZDUSSCGKSA-N 223.275 2.965 0 40 BFAB Cc1cccc(N2C(=O)c3ccccc3C2=O)c1 255098 FKKIPNKONXXQNE-UHFFFAOYSA-N 237.258 2.796 0 40 BFAB CC[C@H](C)c1ccc(OC[C@H](C)O)cc1 1577243 GBRILULHTCGXKY-QWRGUYRKSA-N 208.301 2.960 0 40 BFAB O=C(O)[C@H]1Oc2ccccc2[C@H]1c1ccccc1 1587600 CSQHMXGTEXRJLR-KGLIPLIRSA-N 240.258 2.664 0 40 BFAB O=[P@@]1(O)Cc2ccccc2-c2ccccc21 1703529 RNEVSLVIPQIYAQ-UHFFFAOYSA-N 230.203 2.763 0 40 BFAB O=C1O[C@@H](c2ccccc2)C[C@H]1N1CCCCC1 1842987 OTUIWPRWKLUVLB-ZIAGYGMSSA-N 245.322 2.529 0 40 BFAB C/C=C/C=C/C(=O)Nc1ccccc1F 2649027 HJPNEFCCPAZFNS-DSXPNFDZSA-N 205.232 2.897 0 40 BFAB CCCc1ccc(-c2cc(N)n[nH]2)cc1 3886092 ZKXPZJHRBDVHIA-UHFFFAOYSA-N 201.273 2.611 0 40 BFAB aggregator,in-vitro N=C1c2ccccc2CN1C1CCCC1 4137046 PTWPLOUMMMSUQA-UHFFFAOYSA-N 200.285 2.770 0 40 BFAB O=C1CS[C@@H](c2ccccc2F)N1C1CC1 4218394 MYVFNDBAEFQSQE-LBPRGKRZSA-N 237.299 2.562 0 40 BFAB COC(=O)N1Cc2cc3ccccc3nc2[C@H]1C 4830889 ZIXGTBAXXWCIRH-SECBINFHSA-N 242.278 2.878 0 40 BFAB C[C@@H](O)c1cc(-c2cccc(F)c2)no1 8700506 ASTLODQXKPDEBN-SSDOTTSWSA-N 207.204 2.534 0 40 BFAB CNCCOc1cc(Cl)ccc1Cl 8750345 CKCUIBZUJZHUJT-UHFFFAOYSA-N 220.099 2.592 0 40 BFAB O=C(O)CCNc1cc(Cl)cc(Cl)c1 16697766 JLQFNPSDKJAWCH-UHFFFAOYSA-N 234.082 2.880 0 40 BFAB CC/C=C/C(=O)O[C@@H](C)C(=O)Nc1ccccc1 17131970 RHYAVEIZPBVVQZ-INJWIWPUSA-N 247.294 2.523 0 40 BFAB NC(=O)c1cccc(NC2CCCCC2)c1 20125010 DUUNFXMEQBELJU-UHFFFAOYSA-N 218.300 2.530 0 40 BFAB CCOC(=O)/C=C/c1ccc(C)cc1OC 20154472 VQUHVEHYPJARLF-BQYQJAHWSA-N 220.268 2.580 0 40 BFAB NCc1cccc(CN2CCCCCCC2)c1 20265136 NIPCPNZNRIYZBR-UHFFFAOYSA-N 232.371 2.911 0 40 BFAB C[C@H]1C[C@H]1C(=O)NC1C2CC3CC(C2)CC1C3 32721501 KEROWRDSVUVMLJ-WSVZGWJJSA-N 233.355 2.583 0 40 BFAB Cc1ccc(CN(C)C[C@@H](O)c2ccccc2)o1 33015014 VCHUPMJGKSAHAJ-OAHLLOKOSA-N 245.322 2.753 0 40 BFAB C[C@H](Cc1cccs1)NC(=O)c1ccoc1 33205464 MHMCVDBZPXFYLL-SECBINFHSA-N 235.308 2.702 0 40 BFAB c1ccc(OCCCNCc2ccsc2)nc1 35287316 HIQFLPRCTVHJON-UHFFFAOYSA-N 248.351 2.702 0 40 BFAB CC(C)C(=O)NCc1cccc(C(F)(F)F)c1 40457628 XOWQXUWCMYNDMY-UHFFFAOYSA-N 245.244 2.978 0 40 BFAB CN(C(=O)NCCc1ccccc1)C1CCCC1 40554366 JVZBXBQMTQATFM-UHFFFAOYSA-N 246.354 2.813 0 40 BFAB C[C@@H](CCO)c1ccc(Br)cc1 41250801 SZZYXAIXWPKHOB-QMMMGPOBSA-N 229.117 2.935 0 40 BFAB CCC[C@@H](N)CN(CC(C)C)CC(C)C 42034652 QCVLNHULVOHKBQ-CYBMUJFWSA-N 214.397 2.728 0 40 BFAB Cn1ncc2c1N=C(O)C[C@@H]2c1ccsc1 49544381 LZXVTAFQXZTTLW-MRVPVSSYSA-N 233.296 2.605 0 40 BFAB C[C@H](Cc1ccccc1C(F)(F)F)C(=O)O 62711235 GYQRELYOATWFIH-SSDOTTSWSA-N 232.201 2.969 0 40 BFAB OC[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 62720368 CUHAGPDZUGMJIR-WCBMZHEXSA-N 216.202 2.801 0 40 BFAB O=C(c1ccc2ncccc2c1)C1CCOCC1 69309210 BQCIQKHZTIHBRU-UHFFFAOYSA-N 241.290 2.844 0 40 BFAB CCOc1ccc([C@@H](N)c2ccccc2)c(C)n1 72224182 RHOYCOJQJNGKBW-HNNXBMFYSA-N 242.322 2.837 0 40 BFAB C[C@@H](c1ccccc1Cl)N1CCC[C@H](O)C1 72268463 OUTRRWUULVKNCQ-QWRGUYRKSA-N 239.746 2.858 0 40 BFAB Cc1ccc(NC(=O)Nc2c[nH]nc2C)s1 75413056 JTBNJSFFHVUUAP-UHFFFAOYSA-N 236.300 2.732 0 40 BFAB C=COc1ccc(I)cc1 85503460 FYGIBTGQKKDQNV-UHFFFAOYSA-N 246.047 2.814 0 40 BFAB Cc1nc(C(=O)O)c(Cc2ccccc2)s1 95095467 REXCZSJETIUQFU-UHFFFAOYSA-N 233.292 2.741 0 40 BFAB in-vitro CC(C)c1nnc(NCc2ccc(F)cc2)o1 96494337 VCHGCWBPRZOCCH-UHFFFAOYSA-N 235.262 2.944 0 40 BFAB c1ccc(CN2CC[C@H]3OCCC[C@H]3C2)cc1 246624836 KBNSNNVRGZSELJ-LSDHHAIUSA-N 231.339 2.688 0 40 BFAB Clc1ccc(OCc2cccnc2)nc1 585654458 IDMGCFIVHSPVSI-UHFFFAOYSA-N 220.659 2.709 0 40 BFAB O=C(NCC1(c2ccsc2)CC1)c1ccco1 1888901303 GMONHHRTVVTNFA-UHFFFAOYSA-N 247.319 2.803 0 40 BFAB O=C(Cc1ccccc1)N1CCc2ccccc21 178514 YIZXFZVLAQOAOS-UHFFFAOYSA-N 237.302 2.818 0 40 BFAB biogenic CCCC(=O)Nc1ccccc1OCC 383502 WDQZWPHVBSJGPV-UHFFFAOYSA-N 207.273 2.824 0 40 BFAB CCCCCC(=O)OCCOCCCC 1566534 HAYKAPIQQMKKJA-UHFFFAOYSA-N 216.321 2.927 0 40 BFAB Cc1cccc(C(=O)c2ccccc2)c1C(=O)O 1601905 MFOKQYMBBUNODK-UHFFFAOYSA-N 240.258 2.924 0 40 BFAB COc1ccccc1C1O[C@@H](C)[C@H](C)O1 1693705 HMWMHDMYHXVNMK-IUCAKERBSA-N 208.257 2.518 0 40 BFAB COc1cc2ccc([C@@H](C)N)cc2cc1OC 1729398 CLOAAIICKDCQML-SECBINFHSA-N 231.295 2.877 0 40 BFAB Cc1ccc(C)c(C(=O)[C@H]2CCC[C@H]2C(=O)O)c1 2245627 FLJWIBAXNGPNHL-NWDGAFQWSA-N 246.306 2.987 0 40 BFAB CC(=O)N1N=CC[C@H]1[C@H]1[C@H](C)C=C(C)C[C@H]1C 4844072 HUMGQYPYCXKRLK-RFHZTLPTSA-N 234.343 2.831 0 40 BFAB COC(=O)CC1=CCCc2ccccc21 4974265 RNSZARJWQZOFIL-UHFFFAOYSA-N 202.253 2.579 0 40 BFAB Cc1nnc(Cc2ccccc2)c2[nH]nc(C)c12 5385920 WTMHZMQNLOIEFL-UHFFFAOYSA-N 238.294 2.561 0 40 BFAB Cc1ccc(C)c(CSCC(=O)O)c1 6426283 JAKVFKPALSRPQQ-UHFFFAOYSA-N 210.298 2.621 0 40 BFAB CSc1ncc(C(=O)O)c(-c2ccccc2)n1 6857806 QBVCXBXAXVWKKZ-UHFFFAOYSA-N 246.291 2.564 0 40 BFAB C[C@@H](C(=O)c1c[nH]c2ccccc12)N1CCCC1 7340179 DNCFMMGYZYSHCY-NSHDSACASA-N 242.322 2.835 0 40 BFAB O=C(Nc1ccccn1)c1ccc2c(c1)CCC2 12537357 WONSVVUYFNCTBD-UHFFFAOYSA-N 238.290 2.823 0 40 BFAB CC[C@H](C)C(=O)Nc1ccc(OC)c(OC)c1 12737365 RAGSUDQNGGMNNM-VIFPVBQESA-N 237.299 2.688 0 40 BFAB CNC(=O)c1cc(NC2CCCCCC2)ccn1 12797379 MRXXISUUKJMUPI-UHFFFAOYSA-N 247.342 2.576 0 40 BFAB c1ccc(N2CCc3ccccc3C2)nc1 13488063 SOFHJXSQCMUXKH-UHFFFAOYSA-N 210.280 2.644 0 40 BFAB Cc1cc2nc(NC#N)sc2cc1C 13638843 DQYGGONDDVQBRF-UHFFFAOYSA-N 203.270 2.806 0 40 BFAB CCOc1ccc(-c2c(C)sc(=N)n2C)cc1 19894563 WKUJQVQENOOVMY-UHFFFAOYSA-N 248.351 2.940 0 40 BFAB C[C@H]1CCCN(C(=O)c2ccsc2)C1 32731161 KRZPIBRRJAQRDI-VIFPVBQESA-N 209.314 2.620 0 40 BFAB Cn1cccc/c1=N\Cc1ccccc1Cl 32912540 BTUXMXAZTPIHKD-FYWRMAATSA-N 232.714 2.779 0 40 BFAB COc1cccc(C[C@@H]2CCCCC2=O)c1 34386460 KFTYDTJYPQAGHY-LBPRGKRZSA-N 218.296 2.997 0 40 BFAB COc1cccc(C=O)c1OCCC(C)C 35412757 YXDBDUNVRLTQPU-UHFFFAOYSA-N 222.284 2.933 0 40 BFAB CCOC(=O)c1ccc(NCC2CC2)cc1 36883859 KYDWGMLGLSQECM-UHFFFAOYSA-N 219.284 2.685 0 40 BFAB in-vitro O=C(NCC1CCCC1)c1ccnc(Cl)c1 37251361 KEYSYSXWDCCEDL-UHFFFAOYSA-N 238.718 2.655 0 40 BFAB COC(=O)c1csc2cc(Cl)cnc12 37593635 VFXWJQBXXPWBRI-UHFFFAOYSA-N 227.672 2.736 0 40 BFAB Cc1ccc(-n2cccc2/C=C/C(=O)O)cc1 44201381 KZNYZNMAVGUWEX-CMDGGOBGSA-N 227.263 2.884 0 40 BFAB Cc1cc([C@@H]2CCCN2CC(C)C)no1 45003917 RPFZCOKYCUGTEO-LBPRGKRZSA-N 208.305 2.776 0 40 BFAB Cc1ccc(NC(=O)c2sc(C)nc2C)nc1 48314103 YGGCICGRCDQKJL-UHFFFAOYSA-N 247.323 2.716 0 40 BFAB Cc1ccc([C@H](O)c2ccccn2)s1 84006949 USWYKQQQQXFSLY-LLVKDONJSA-N 205.282 2.533 0 40 BFAB CCSCC[C@H](C)NC(=O)N1CC[C@@H](C)C1 84812076 KTNAGOSFCMDXCH-MNOVXSKESA-N 244.404 2.570 0 40 BFAB CCOC(=O)[C@@H](C)C(=O)c1cc(C)ccc1C 85396795 OXSJDKPWRAJQJJ-NSHDSACASA-N 234.295 2.685 0 40 BFAB CC[C@@H](O)CN[C@H](C)c1ccc(C)c(F)c1 87369716 WCLJXSJKZPHZSH-ZYHUDNBSSA-N 225.307 2.556 0 40 BFAB Fc1ccc(CN2CCCSCC2)cc1F 89982234 PFNPRRFPDRVAJC-UHFFFAOYSA-N 243.322 2.904 0 40 BFAB CCCN[C@H](C)CSC(F)(F)F 95918302 ZWDQQLAXRPMIOC-ZCFIWIBFSA-N 201.257 2.628 0 40 BFAB C[C@H](CCCN(C)C)N[C@H]1CCc2ccccc21 96009143 ZNRLYUZRFPMSPK-CJNGLKHVSA-N 246.398 2.994 0 40 BFAB COC[C@@H](C)Nc1cccc(-c2nccn2C)c1 97095662 IBILHIOVZIOHPD-LLVKDONJSA-N 245.326 2.534 0 40 BFAB Cc1cc(CNCc2c(C)n[nH]c2C)ccc1F 97159490 IXWMWVQTQPCTFV-UHFFFAOYSA-N 247.317 2.764 0 40 BFAB O=C(O)/C=C1/CCCCc2ccccc21 100446308 POQIVGDDIKNHFE-LUAWRHEFSA-N 202.253 2.881 0 40 BFAB O=C(Nc1nccs1)[C@H]1C[C@@H]2CC[C@@H]1C2 100917081 PHKMYNOCRCZCOU-HLTSFMKQSA-N 222.313 2.518 0 40 BFAB COc1ccc(CN2CCC(C)CC2)c(OC)c1 158842470 SEJZBUPLCMWCIO-UHFFFAOYSA-N 249.354 2.936 0 40 BFAB CC[C@@H](C)[C@H](C)Nc1ccc(C)c(C(N)=O)c1 183118570 VILPLOQHVAMABN-KOLCDFICSA-N 234.343 2.940 0 40 BFAB CCOC(=O)[C@@H](CC)SCc1cccnc1 194543639 MUVJHGBETUZUPR-LLVKDONJSA-N 239.340 2.657 0 40 BFAB Cc1cccc(N2CCN[C@H]3CCCC[C@@H]32)c1 225712772 LIOWXEIBUKWRFQ-GJZGRUSLSA-N 230.355 2.716 0 40 BFAB Cc1cc(NCc2ccc(F)s2)nn1C 256050841 GRYNUVDXQYPKNV-UHFFFAOYSA-N 225.292 2.541 0 40 BFAB Cc1c(C(=O)O)sc2cnc(Cl)cc12 307653397 PMNVLIXDOLXRNU-UHFFFAOYSA-N 227.672 2.956 0 40 BFAB CC[C@H](C)[C@@H](C)N[C@H]1CSC1(C)C 308297963 KQVTXCFLHNCHLF-AEJSXWLSSA-N 201.379 2.905 0 40 BFAB CCCC(=O)c1cc(F)c(F)cc1OC 308823111 ZQMVXNIAHRQUJI-UHFFFAOYSA-N 214.211 2.956 0 40 BFAB Cc1cc(F)ccc1Nc1ncc(C)c(O)n1 408977678 FEOHOZNSUASGMQ-UHFFFAOYSA-N 233.246 2.682 0 40 BFAB CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@H](F)C2 710673335 FLQJCIOFETVVPK-AEJSXWLSSA-N 229.295 2.744 0 40 BFAB Cc1cc(Br)n([C@@H]2CCCCO2)n1 953052210 FWJFVRFANIEHHO-VIFPVBQESA-N 245.120 2.653 0 40 BFAB CCC(=O)n1c(SC)nc2ccccc21 54806 ZFQGYMVEHGKXIE-UHFFFAOYSA-N 220.297 2.808 0 40 BFAB CCCc1ccc2[nH]cc(CCN)c2c1 77285 FKFXKCOMJSHBBC-UHFFFAOYSA-N 202.301 2.622 0 40 BFAB biogenic CC(C)CC(=O)NC1C2CC3CC(C2)CC1C3 568975 IARSNPZZLMAZGA-UHFFFAOYSA-N 235.371 2.973 0 40 BFAB COc1cc(C)cc2nc3ccccc3n12 807087 MRPBOVYDAXPADW-UHFFFAOYSA-N 212.252 2.805 0 40 BFAB Cc1cc(F)ccc1C(=O)CCCC(=O)O 2378693 NORKBZRMFXZACE-UHFFFAOYSA-N 224.231 2.572 0 40 BFAB O=C(C[C@@]1(O)Cc2ccccc21)c1ccccc1 3848239 QDDPCXGJJZTFAP-INIZCTEOSA-N 238.286 2.703 0 40 BFAB biogenic COC(=O)Nc1ccc(Cl)cc1F 6126168 XJQRGJMLOMGBNF-UHFFFAOYSA-N 203.600 2.657 0 40 BFAB Cc1ccc(CC(=O)N2CCCCCC2)cc1 6478888 ABMDREMPYHAQIQ-UHFFFAOYSA-N 231.339 2.940 0 40 BFAB CCNC(=O)CCSc1ccc(Cl)cc1 6938637 GQLYGPRMMASGJW-UHFFFAOYSA-N 243.759 2.958 0 40 BFAB CC(C)CC(=O)N[C@@H]1CCOc2ccccc21 7214802 NXOHMGSLFISOFE-GFCCVEGCSA-N 233.311 2.673 0 40 BFAB Cc1occc1C(=O)NCCc1ccccc1F 12953205 NMXLGLAETVJSJM-UHFFFAOYSA-N 247.269 2.700 0 40 BFAB Nc1cccc(NC(=O)c2ccccc2F)c1 19736029 VDWDYIZMANGFJV-UHFFFAOYSA-N 230.242 2.660 0 40 BFAB Nc1ccccc1C(=O)Nc1ccc(Cl)cn1 20373292 JDPZZANVLDNJOG-UHFFFAOYSA-N 247.685 2.570 0 40 BFAB O=C(O)c1cn[nH]c1-c1ccc2ccccc2c1 20439751 QHAPNUGEULNKJM-UHFFFAOYSA-N 238.246 2.928 0 40 BFAB CN(Cc1ccccc1CN)C1CCCCC1 21953177 PJOSCUUJKFLQBZ-UHFFFAOYSA-N 232.371 2.910 0 40 BFAB Fc1ccccc1-c1ccc(Cl)nn1 26420490 VSJCZKWUVAOYPD-UHFFFAOYSA-N 208.623 2.936 0 40 BFAB O=C(c1cc(F)ccc1F)N1CCCCC1 28210764 PTEYCGBXNBLWQB-UHFFFAOYSA-N 225.238 2.591 0 40 BFAB COc1ccc(C(=O)O)cc1C(C)(C)C 38951715 WXQUGIVHDANZTM-UHFFFAOYSA-N 208.257 2.691 0 40 BFAB Clc1cncc(N2CCCCCC2)n1 42783556 UPIUWWQVYQXMQN-UHFFFAOYSA-N 211.696 2.510 0 40 BFAB in-vitro CCNCc1cc(-c2ccc(CC)cc2)n[nH]1 50479044 UDNXYHBWBASRPW-UHFFFAOYSA-N 229.327 2.749 0 40 BFAB OCc1cccc(-c2ccccc2O)c1 65339931 MPZUGBQFZWKEBS-UHFFFAOYSA-N 200.237 2.552 0 40 BFAB CCSc1ncccc1C1=NCCC1 72217162 FOOBTIKWSRWGJS-UHFFFAOYSA-N 206.314 2.777 0 40 BFAB NC[C@@H]1CCCN(CC/C=C/c2ccccc2)C1 79439941 WDEPYOVOHZGLFB-UFNQUYMESA-N 244.382 2.761 0 40 BFAB CCNC(=O)N(C)[C@H](CC)Cc1ccccc1 80580283 FIIKGDPDZMGWGQ-CYBMUJFWSA-N 234.343 2.669 0 40 BFAB Cc1cc(F)cc(C(=O)C[C@H](C)CC(=O)O)c1 95634350 UQOKCHXVJAEOAA-VIFPVBQESA-N 238.258 2.818 0 40 BFAB O=Cc1cc(O)ccc1OCc1ccccc1 95932282 CRUNCTWMFHQFTC-UHFFFAOYSA-N 228.247 2.784 0 40 BFAB Fc1ccccc1-c1n[nH]c2c1[C@H]1CC[C@@H](C2)N1 96510278 HKCCHYYEYIUSMH-GZMMTYOYSA-N 243.285 2.565 0 40 BFAB CC(C)N(C(=O)CC[C@@H]1CCCCN1)C(C)C 96510356 UYMTXXWOBWMVPG-ZDUSSCGKSA-N 240.391 2.554 0 40 BFAB CCCCN(Cc1ccco1)C[C@H]1CCCN1 96523687 FISRILISDWSLIO-CYBMUJFWSA-N 236.359 2.634 0 40 BFAB COC(=O)c1ccc(OC(F)(F)F)cc1F 140474145 OXYMJWORFKPDFT-UHFFFAOYSA-N 238.136 2.511 0 40 BFAB OCc1cn(-c2ccc(Cl)c(Cl)c2)cn1 143720625 OACLLBLDCGRRAK-UHFFFAOYSA-N 243.093 2.671 0 40 BFAB NNC(c1ccc(F)cc1)c1ccc(F)cc1 161776104 HGXZKTJQTHCMIE-UHFFFAOYSA-N 234.249 2.518 0 40 BFAB CCCC(=O)c1ccc(OC(C)=O)cc1 219250058 GKPCLKHHMHJIEI-UHFFFAOYSA-N 206.241 2.595 0 40 BFAB CCN(C(=O)c1cscn1)c1cccnc1C 225542699 NVLSUZNQMNQRBG-UHFFFAOYSA-N 247.323 2.513 0 40 BFAB Cc1ccc(CNCc2ccccc2)[nH]1 226018827 QZESHSJVUIIYJO-UHFFFAOYSA-N 200.285 2.613 0 40 BFAB CCCCc1ccc(CO)n1CC(C)C 226026559 ZDGUBEUXHDZVJS-UHFFFAOYSA-N 209.333 2.979 0 40 BFAB COc1ccc([C@H](O)c2cccc(N)c2C)cc1 226291781 ARKZQLUKLDWNEO-HNNXBMFYSA-N 243.306 2.668 0 40 BFAB Fc1ccc2c(c1)[nH]c1c(Cl)ncnc12 408712427 ANPIAIFROLVKLB-UHFFFAOYSA-N 221.622 2.904 0 40 BFAB CCCNC(=O)CCCc1ccc(OC)cc1C 408915211 PPFTWVHOBARLSA-UHFFFAOYSA-N 249.354 2.853 0 40 BFAB COc1ccc([C@H](C)NCc2cccnc2)cc1 385593 KQALNNBYWOQVTE-LBPRGKRZSA-N 242.322 2.941 0 40 BFAB CC[C@@H](C)c1ccc(OC[C@H](C)O)cc1 1577242 GBRILULHTCGXKY-MNOVXSKESA-N 208.301 2.960 0 40 BFAB CCc1nc2c(OC)ccc(OC)c2nc1C 1717194 DXLSASLYNJCPRZ-UHFFFAOYSA-N 232.283 2.518 0 40 BFAB Cc1cc(O)ccc1C1=NC[C@H](C)S1 1725071 QRWOYORMHLKTFF-QMMMGPOBSA-N 207.298 2.583 0 40 BFAB COc1ccc(OCc2cc(C(=O)O)co2)cc1 2221335 ISIMKMRYQHVLNU-UHFFFAOYSA-N 248.234 2.565 0 40 BFAB O=C(NCCc1ccccc1)[C@H]1C[C@H]2CC[C@@H]1C2 4155686 YIFVFWQJUWDRFL-ZNMIVQPWSA-N 243.350 2.782 0 40 BFAB CC1=N/C(=C\C=C\c2ccccc2)C(=O)O1 4693641 SQIINWMZSDPVND-VQDMZCOGSA-N 213.236 2.559 0 40 BFAB Nc1sc(S)nc1-c1ccccc1 5934527 DFBLEVVSFACJOY-UHFFFAOYSA-N 208.311 2.681 0 40 BFAB Cc1ccc(N)cc1N1[C@H](C)CC[C@H]1C 8703839 TVSRDGMRVBBLNV-GHMZBOCLSA-N 204.317 2.954 0 40 BFAB Cc1ccc2nc(C)c(C(=O)NC3CC3)cc2c1 12870460 FNQQBAODYHIHIK-UHFFFAOYSA-N 240.306 2.744 0 40 BFAB CCNC(=O)c1sc2ccccc2c1C 12919920 ONEAGGYHSXOBST-UHFFFAOYSA-N 219.309 2.959 0 40 BFAB CCCCSc1nc2ccccc2c(=O)[nH]1 17002569 CSRKFNCZGRRGHV-UHFFFAOYSA-N 234.324 2.815 0 40 BFAB NCc1ccc(F)c(COC2CCCC2)c1 19390719 KCADTDRVFYUOHD-UHFFFAOYSA-N 223.291 2.744 0 40 BFAB in-vitro Nc1ccc(C(=O)NC2CCCC2)c(Cl)c1 20220857 JRSRYLWFILEFOI-UHFFFAOYSA-N 238.718 2.595 0 40 BFAB Cc1ccc(S[C@H](C)C(=O)N(C)C)cc1 31852061 DKGQGUHWZZIRPZ-SNVBAGLBSA-N 223.341 2.564 0 40 BFAB Cc1nc2ccc(NC(=O)[C@H]3C[C@@H]3C)cc2o1 32752870 ZKSMESAMZDKAQV-XVKPBYJWSA-N 230.267 2.731 0 40 BFAB COc1ccc2c(c1)C(=O)CCCS2 34975092 NQMVIVKNDUWBGD-UHFFFAOYSA-N 208.282 2.764 0 40 BFAB Cc1ccccc1[C@@H](CN)N1CCC[C@H](C)C1 36875049 WDJXNZUPDHCAGE-SWLSCSKDSA-N 232.371 2.727 0 40 BFAB C[C@H](Nc1ccn(C)n1)c1c(F)cccc1F 37560488 BFFKKCNXDNWZFV-QMMMGPOBSA-N 237.253 2.871 0 40 BFAB O=C(Cc1ccc(F)cc1)c1cccnc1 37992320 YQIIFWFMYWXFQW-UHFFFAOYSA-N 215.227 2.646 0 40 BFAB COc1cccc(C[C@@H]2CCCC(=O)C2)c1 43210776 SHLAQNMUAQEQED-NSHDSACASA-N 218.296 2.997 0 40 BFAB CCc1ccc(CN2CCCC[C@@H]2CN)cc1 44539939 VDYKZWPFPNFSQA-OAHLLOKOSA-N 232.371 2.562 0 40 BFAB CCCC(CCC)N[C@@H]1CCCC[C@H]1O 51992838 GHRWONMLMRHEQT-CHWSQXEVSA-N 213.365 2.848 0 40 BFAB Cc1noc2ncc(-c3nnc(C(C)C)o3)cc12 71889533 KNQAEBLNFCDYEW-UHFFFAOYSA-N 244.254 2.705 0 40 BFAB CC(C)Oc1ccc([C@H]2CCCCN2C=O)cn1 72211932 PVAFGEJBPKQQMG-CYBMUJFWSA-N 248.326 2.552 0 40 BFAB Cc1cc(OCc2ccccc2)ncc1CCO 72223437 QEAYWSCQKDEGCU-UHFFFAOYSA-N 243.306 2.504 0 40 BFAB CC1(C)CNC(=O)N1Cc1ccc(Cl)cc1 72319852 XUDCGBBALDNPIO-UHFFFAOYSA-N 238.718 2.644 0 40 BFAB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1CCCN1 75868099 HEUVPHQPEQBIGY-AWEZNQCLSA-N 241.338 2.914 0 40 BFAB O=C(O)c1csc(-c2ncccc2Cl)n1 83368797 PFQCDHYYSGJDBQ-UHFFFAOYSA-N 240.671 2.557 0 40 BFAB in-vitro O[C@@H]1CCc2ccc(C(F)(F)F)cc21 95835664 JAICRPHZHDNVQL-SECBINFHSA-N 202.175 2.685 0 40 BFAB in-vitro CCC(=O)Nc1nc(-c2cccc(O)c2)cs1 95960894 GQTIWVRYGKFVRT-UHFFFAOYSA-N 248.307 2.864 0 40 BFAB Cc1nccc(NC(=O)N[C@@H]2C[C@H]2C)c1Cl 97096187 JLSZEEULSNZDHA-HZGVNTEJSA-N 239.706 2.573 0 40 BFAB O=C1CC(C2CC2)=NN1c1cccc(Cl)c1 104153881 UGYSZRFVNVNVBR-UHFFFAOYSA-N 234.686 2.843 0 40 BFAB in-vitro CCCC(=O)c1cccnc1Br 196486026 QNQKYAYGQQZTAC-UHFFFAOYSA-N 228.089 2.827 0 40 BFAB CCCC[C@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 217847861 IDBAJSQTEYNMHP-WDEREUQCSA-N 243.347 2.547 0 40 BFAB CC(C)c1cnn(-c2ccccc2)c1N 219932762 PUMZKKAZOSLNRZ-UHFFFAOYSA-N 201.273 2.578 0 40 BFAB NCCCNc1ccnc2ccc(Cl)cc12 222678832 KLWNHIGQKAKWAW-UHFFFAOYSA-N 235.718 2.649 0 40 BFAB CCOC(=O)c1cc(Cl)c(O)cc1C 260956794 MWKLVLMKZISTJL-UHFFFAOYSA-N 214.648 2.531 0 40 BFAB C/C(=C\c1ccccc1)CN1CC[C@@H](O)C1(C)C 462871955 RSGAYMCHNRSTSG-HFBDAHEESA-N 245.366 2.935 0 40 BFAB CCc1c(C2CC2)[nH]c2c(OC)cccc2c1=O 685938373 KKCSBGFHSORPFK-UHFFFAOYSA-N 243.306 2.977 0 40 BFAB CN(C(=O)c1ccccc1)c1ccc(O)cc1 1653175 ZZHAWGINDBQJMU-UHFFFAOYSA-N 227.263 2.669 0 40 BFAB CCCCC[C@@H](C)N(C)C(=O)CNCC(C)C 1671744 NBUYKDYPCNNXOS-CYBMUJFWSA-N 242.407 2.659 0 40 BFAB CN(c1ccccc1)c1cc(Cl)ncn1 1675998 HUUWJLRTQFKVSL-UHFFFAOYSA-N 219.675 2.898 0 40 BFAB in-vitro CCCNC(=S)Nc1ccc(F)cc1 2754139 GENKVVMEMOQVFQ-UHFFFAOYSA-N 212.293 2.522 0 40 BFAB C[C@@H]1[C@H]2CCC[C@H](C2=O)[C@@]2(O)CCCC[C@H]12 4026441 HZMOLOUVPKADBE-CBLPJQPBSA-N 222.328 2.543 0 40 BFAB biogenic CC(C)[C@H](CC(=O)O)[C@@H]1CCOC(C)(C)C1 4046692 BBWMQSIVQSDBJA-MNOVXSKESA-N 228.332 2.939 0 40 BFAB biogenic CC(C)(C)c1cnnn1-c1ccccc1 5284359 AQZVSMKUQGBNKG-UHFFFAOYSA-N 201.273 2.565 0 40 BFAB Cc1ccc(C(=O)Nc2cc(C)nc(C)n2)cc1 6501947 VSXNSKLUSIFUKF-UHFFFAOYSA-N 241.294 2.654 0 40 BFAB Cc1ccc(CNCc2cccn2C)cc1 7538094 ILTBASNFPRWSDD-UHFFFAOYSA-N 214.312 2.623 0 40 BFAB Cc1cc([C@@H]2CCCN2CC(=O)O)sc1C 12397329 GIRXFCBLYSHLDE-JTQLQIEISA-N 239.340 2.586 0 40 BFAB CC1=C[C@H](C)[C@@H](C2N3CCCN2CC3)[C@H](C)C1 19320483 HFPVWFVWBIWBRP-BFHYXJOUSA-N 234.387 2.572 0 40 BFAB CC(C)(C(=O)N1CCCC1)c1ccccc1 26532375 ZQLDCZZMHQPLKM-UHFFFAOYSA-N 217.312 2.587 0 40 BFAB C[C@@](N)(c1ccccc1)[C@@H](O)c1ccccc1 26893705 ZGULRCHLTOMBNJ-LSDHHAIUSA-N 227.307 2.594 0 40 BFAB C[C@@](N)(c1ccccc1)[C@H](O)c1ccccc1 26893708 ZGULRCHLTOMBNJ-HUUCEWRRSA-N 227.307 2.594 0 40 BFAB Nc1nc(Cl)nc2ccc(Cl)cc12 26899466 SQYVXXSSMNSOCS-UHFFFAOYSA-N 214.055 2.519 0 40 BFAB COc1cc(C(=O)N2CCCCC2)ccc1C 32780610 BKJRSKLXZKJAKU-UHFFFAOYSA-N 233.311 2.630 0 40 BFAB COc1c(C=O)ccc(Cl)c1Cl 34451377 ULTXFTIUJFRQSV-UHFFFAOYSA-N 205.040 2.815 0 40 BFAB COc1ccc(S[C@@H](C)C(C)=O)cc1 34980884 AHVQLHLCUTVWLW-VIFPVBQESA-N 210.298 2.765 0 40 BFAB CCOC(=O)CCn1ccc2ccccc21 36669082 VGFGMNSKSUCONE-UHFFFAOYSA-N 217.268 2.595 0 40 BFAB COc1cccc(I)c1C 39307376 XTLINWQSNOAMFA-UHFFFAOYSA-N 248.063 2.608 0 40 BFAB Cc1ccccc1-c1cnc(C(=O)O)s1 45206026 OTZFHCQHNVIXQT-UHFFFAOYSA-N 219.265 2.817 0 40 BFAB Cc1csc(SC2CCC(N)CC2)n1 55143751 WEGZUHFWQCWKMG-UHFFFAOYSA-N 228.386 2.814 0 40 BFAB O=C(CCC1CCCC1)NCCc1cccnc1 58441230 ADYFRJHAUYLTEU-UHFFFAOYSA-N 246.354 2.711 0 40 BFAB O=C(O)c1cnn(-c2ccccc2)c1C(F)F 61630020 QCVJEOPZSCVJBZ-UHFFFAOYSA-N 238.193 2.508 0 40 BFAB COc1cccc(CCCNC(=O)C(C)(C)C)c1 66436279 QQGMMJVFOGFTDD-UHFFFAOYSA-N 249.354 2.790 0 40 BFAB C[C@@H](NCCc1ccccc1)[C@@H](C)n1cccn1 69967309 OPPUIAAYSRLHFZ-ZIAGYGMSSA-N 243.354 2.665 0 40 BFAB Fc1ccc(-c2n[nH]cc2-c2ncc[nH]2)c(F)c1 72165675 DJYVZMJISMIEOA-UHFFFAOYSA-N 246.220 2.745 0 40 BFAB CNc1ncccc1[C@@H]1CCCN1CC(C)C 72212540 KPBBHRXXNPUMMF-ZDUSSCGKSA-N 233.359 2.916 0 40 BFAB Cc1cc(N)ncc1[C@H]1CCCCN1C(C)C 72218521 LTWMTCDRWKGYOI-CYBMUJFWSA-N 233.359 2.908 0 40 BFAB Cc1nc(N2CCCC2)ccc1[C@H]1CCCN1C 72218906 DSKBNCOHDBSCOK-CQSZACIVSA-N 245.370 2.757 0 40 BFAB CN1CCC[C@@H]1c1ccnc(-c2ccccc2)n1 72376464 UGRBIULZBMCBGW-CQSZACIVSA-N 239.322 2.910 0 40 BFAB COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3N 74113223 IZRMVZJKULAOME-NSHDSACASA-N 216.284 2.513 0 40 BFAB CC(C)c1ccc(N(C)C(=O)[C@H]2CCOC2)cc1 89893409 TVUIYPYGVCUIHO-ZDUSSCGKSA-N 247.338 2.809 0 40 BFAB Cc1c(NC2CCN(C)CC2)cccc1N(C)C 97142014 UVAHRJIOANWVRU-UHFFFAOYSA-N 247.386 2.567 0 40 BFAB CNC(=O)[C@@H]1C[C@H]1c1ccc(C(C)C)cc1 98012984 RDLJUWVBENIGFL-QWHCGFSZSA-N 217.312 2.660 0 40 BFAB COC(=O)c1ccc(-c2ccccc2)cn1 98175525 AQGYGJYEJSHSKE-UHFFFAOYSA-N 213.236 2.535 0 40 BFAB Cc1cc(C(=O)O)c(F)c(C(F)(F)F)c1 98210815 GJIOQLSHHHOUPD-UHFFFAOYSA-N 222.137 2.851 0 40 BFAB C[C@]12CC[C@@H]3[C@@](Br)(C[C@@]31C)C2=O 101264616 MZUHKKJTABCVFS-NORCUCSASA-N 229.117 2.529 0 40 BFAB CCOc1ccc([C@@H]2C[C@H]2[C@H](C)O)cc1 108350559 ADGXOVIRURHYPI-XDTLVQLUSA-N 206.285 2.570 0 40 BFAB C[C@H]1C[C@H]1C(=O)N(C)C1C2CC3CC(C2)CC1C3 124287964 WAHFAXNUZGJZTJ-ROZWMTPISA-N 247.382 2.926 0 40 BFAB CCc1ccc(CC(=O)N(CC)CC)cc1 128388106 JKACZZGZZFRMIC-UHFFFAOYSA-N 219.328 2.660 0 40 BFAB O=C(O)Cc1cccn1-c1cccc(Cl)c1 169676775 WENWVKXMGLYDEA-UHFFFAOYSA-N 235.670 2.758 0 40 BFAB CC(C)(C)c1cccc(-c2cncnc2)n1 206016855 ADHRRZPTUOHVLH-UHFFFAOYSA-N 213.284 2.836 0 40 BFAB C[C@H]1C[C@](C)(C(=O)O)CC12SCCS2 217893574 MNASLHKBLVRWNY-CBAPKCEASA-N 232.370 2.684 0 40 BFAB CC[C@@H](C(=O)O)N(C)c1ccc(C)cc1C 224982282 JASQLUWJZSHGID-NSHDSACASA-N 221.300 2.603 0 40 BFAB Clc1cncc(Cl)c1CN1CC2(CC2)C1 877556251 NQOSCSQWTKQQTJ-UHFFFAOYSA-N 243.137 2.984 0 40 BFAB O=Cc1c(F)ccc(-c2ccccn2)c1F 1772715706 UFXNMLWGIYPMPC-UHFFFAOYSA-N 219.190 2.839 0 40 BFAB CC1(C)OC(c2ccncc2)OC1(C)C 1350392 OCZALGHMARUPQO-UHFFFAOYSA-N 207.273 2.684 0 40 BFAB Oc1nn(-c2ccc(Cl)cc2)c2ncccc12 1397091 ROCUELYIKKKNDL-UHFFFAOYSA-N 245.669 2.780 0 40 BFAB COc1cccc([C@H]2CCCC[C@H]2O)c1 1765733 MXBZVUAIQKNHIE-CHWSQXEVSA-N 206.285 2.714 0 40 BFAB CC(=O)[C@@H](C)c1nc2ccccc2s1 2048310 ZZDKCNNIPGACNK-SSDOTTSWSA-N 205.282 2.989 0 40 BFAB in-vitro CCCCOC(=O)c1ccccc1NC(C)=O 2079060 PLYLRMGCCAJWFI-UHFFFAOYSA-N 235.283 2.602 0 40 BFAB O=C(Cc1ccccc1)Nc1cccnc1Cl 2749715 WIINERLYPRUASN-UHFFFAOYSA-N 246.697 2.916 0 40 BFAB Nc1cc(C(F)(F)F)c(C(F)(F)F)cc1N 4116533 UOTZJBMBHUUZJK-UHFFFAOYSA-N 244.138 2.889 0 40 BFAB Cc1cc[n+]2c(O)c(-c3ccccc3)sc2n1 4748845 XDGGELZYTVWQKC-UHFFFAOYSA-O 243.311 2.563 0 40 BFAB Nc1nnc(SCC2CCCCC2)s1 7535998 QUHSEFYORTZNQE-UHFFFAOYSA-N 229.374 2.793 0 40 BFAB Cc1ccc(C)n1CCN1CCCCC1 8729257 FGITUJNWPFENJM-UHFFFAOYSA-N 206.333 2.591 0 40 BFAB COCCCCOc1ccc(Cl)cc1N 8730367 FHVNFNFYDDNFSP-UHFFFAOYSA-N 229.707 2.728 0 40 BFAB Cc1cccnc1NC(=O)C[C@H]1C=CCC1 12528157 PKCLXLVMOOWQFM-NSHDSACASA-N 216.284 2.685 0 40 BFAB C[C@H]1C[C@@H]1C(=O)Nc1nc2ccccc2s1 12921723 FHJQNQMNXFCJJM-YUMQZZPRSA-N 232.308 2.891 0 40 BFAB COC(=O)c1ccc(-c2ccc(CO)o2)c(C)c1 15416415 PNKJAGPBGSLYJA-UHFFFAOYSA-N 246.262 2.534 0 40 BFAB Cc1ccc(CSc2nc(=O)[nH]cc2C)cc1 15952218 VHUHKOXOHOLDSZ-UHFFFAOYSA-N 246.335 2.679 0 40 BFAB S=C(Nc1ccc(Cl)cc1)n1cccn1 16546130 MTMSQMCSOJAJJR-UHFFFAOYSA-N 237.715 2.782 0 40 BFAB Cc1cccc([C@@H](C(=O)O)N2CCCCC2)c1 16745293 GQDGDDWLLTZOPX-ZDUSSCGKSA-N 233.311 2.607 0 40 BFAB Cc1ccc(-c2nnc(C3CCNCC3)o2)cc1 19780353 LBYNFKBDNATLPC-UHFFFAOYSA-N 243.310 2.512 0 40 BFAB Cc1ccc(C)c(NC(=O)C2CCOCC2)c1 23623109 DVBNROKGBKDIHD-UHFFFAOYSA-N 233.311 2.669 0 40 BFAB COc1ccc(C(=O)c2ccccc2)cc1N 32015321 HFDAZGAPCQRKEV-UHFFFAOYSA-N 227.263 2.508 0 40 BFAB C[C@H](N(C)C(=O)c1cccnc1)C(C)(C)C 32788123 AVEZMDSNLIBECJ-JTQLQIEISA-N 220.316 2.588 0 40 BFAB CCOC(=O)c1cnc(Cl)c(C)c1Cl 34432609 KLDOYPGZOWJLPL-UHFFFAOYSA-N 234.082 2.874 0 40 BFAB C=CC(=O)N1CCC[C@H]1c1ccccc1 36335053 JPYDGKFNSYFGLT-LBPRGKRZSA-N 201.269 2.536 0 40 BFAB CCCN(CC(=O)O)c1cccc(Cl)c1 37474515 FHIXQNGCMXBLKS-UHFFFAOYSA-N 227.691 2.641 0 40 BFAB CSc1nc2cc(Br)cnc2o1 38844833 QTKKZLFHPUYYGY-UHFFFAOYSA-N 245.101 2.707 0 40 BFAB Cc1[nH]c2cc(Cl)ccc2c(=O)c1C 39221696 DWLRDLYNHOBBER-UHFFFAOYSA-N 207.660 2.798 0 40 BFAB COc1cc(C)c([C@H](O)CC2CC2)cc1OC 49731961 ODPXKVSVBALMPS-GFCCVEGCSA-N 236.311 2.846 0 40 BFAB C[C@@H](c1nc(C2CC2)no1)N1CCC[C@@H](C)C1 51150765 CGMAYWKBUIMRMM-ZJUUUORDSA-N 235.331 2.740 0 40 BFAB Cc1ccccc1OC[C@H](C)NC(=O)C(C)C 55693192 KTYABQVPXPYBMJ-LBPRGKRZSA-N 235.327 2.535 0 40 BFAB Cc1noc(C)c1NC(=O)Cc1ccccc1F 58329059 YJUWHEFIUWYAIB-UHFFFAOYSA-N 248.257 2.612 0 40 BFAB O=c1c2sccc2ncn1Cc1ccccc1 58451088 IPTBYMGFXUMPDX-UHFFFAOYSA-N 242.303 2.506 0 40 BFAB CCCC(=O)Nc1ccnn1C1CCCC1 60953533 LYHSXFPXNMKKFB-UHFFFAOYSA-N 221.304 2.737 0 40 BFAB Cc1ccc(-c2nc([C@@H]3CCCNC3)no2)cc1 62257178 ODFFNJDWKBXKDW-GFCCVEGCSA-N 243.310 2.512 0 40 BFAB OC[C@H]1C[C@H]1c1cccc(Br)c1 62720173 HNPYNZPAPFEJFT-SCZZXKLOSA-N 227.101 2.545 0 40 BFAB Cc1ccccc1[C@@H]1C[C@H](C)N(CCCO)C1 71915685 ZTKHETCXUQMXMG-UONOGXRCSA-N 233.355 2.555 0 40 BFAB CCN(CC)c1ncccc1[C@@H]1CCCN1C 72212881 BFDULVKOBXHYMT-ZDUSSCGKSA-N 233.359 2.695 0 40 BFAB CCC(CC)N(C)C(=O)NCCc1ccco1 84727537 BSOGLIMJNHDWHL-UHFFFAOYSA-N 238.331 2.652 0 40 BFAB CCCCC[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C 84743002 RTBNEYLNLMZKIM-CHWSQXEVSA-N 242.407 2.658 0 40 BFAB C[C@@H](NCCCCN1CCCC1)C1(C)CC1 95420406 XELKHZOQJSGJFZ-CYBMUJFWSA-N 224.392 2.641 0 40 BFAB Fc1c(Cl)cccc1Cn1ccnc1 95731877 JZQKUCHRXYHSAF-UHFFFAOYSA-N 210.639 2.724 0 40 BFAB CCC[C@@]12C=CC=CC1=NC=C2CCO 95932373 ZFDJODJOODCWCI-ZDUSSCGKSA-N 203.285 2.620 0 40 BFAB COc1c(C)cc([C@@](C)(O)C2CC2)cc1C 96543396 ZQFONTVHZQUJLC-AWEZNQCLSA-N 220.312 2.930 0 40 BFAB c1cnc(NCc2cnc3ccsc3c2)nc1 195573321 KBXJFTNDYBTOAQ-UHFFFAOYSA-N 242.307 2.698 0 40 BFAB CCN(Cc1cncnc1)c1ccccc1C 195579111 UIAYXTHFVXSEKA-UHFFFAOYSA-N 227.311 2.812 0 40 BFAB CC[C@H](C(=O)O)N(CC)c1ccc(C)cc1C 224982484 SAFLABJUXMESMZ-GFCCVEGCSA-N 235.327 2.993 0 40 BFAB CCCCCNC(=S)Nc1ccc(C)cn1 225379327 GPDIBWAQDLIXNO-UHFFFAOYSA-N 237.372 2.867 0 40 BFAB CC(C)(CCNC1CSC1)C(F)(F)F 308532524 RXHOJLNTCNYYQO-UHFFFAOYSA-N 227.295 2.670 0 40 BFAB CC[C@@H](C)C(=O)N[C@@H]1CCCC(F)(F)C1 335336426 JDQTUJAOSGIAIM-RKDXNWHRSA-N 219.275 2.727 0 40 BFAB CC(C)(C)OC(=O)n1ccc2cc(F)ncc21 584619918 HWTIYBHDQQKHRB-UHFFFAOYSA-N 236.246 2.959 0 40 BFAB Cc1cnc([C@H](C)N2Cc3ccccc3CO2)o1 640127922 VJBGTRFPZNBLIN-NSHDSACASA-N 244.294 2.991 0 40 BFAB C[C@@H]1CC[C@H](F)CN1C(=O)OC(C)(C)C 710673644 ZEQJYYLAFDMFAN-BDAKNGLRSA-N 217.284 2.744 0 40 BFAB c1ccc2c(c1)nc1[nH]c3c(n12)CCCC3 127798 DBTXMHWFERLARX-UHFFFAOYSA-N 211.268 2.694 0 40 BFAB C[C@@H]1C(=O)O[C@H](c2ccccc2)C(C)(C)C1=O 194870 UMJRKBNYWMJTJT-JOYOIKCWSA-N 232.279 2.516 0 40 BFAB O=C(Nc1cccnc1Cl)c1ccccc1 362878 NYRKNLRWRFDBST-UHFFFAOYSA-N 232.670 2.987 0 40 BFAB biogenic C[C@@H]1CCO[C@H](c2coc3ccccc3c2=O)O1 482566 ADXCKCOKWMDXRE-OTYXRUKQSA-N 246.262 2.617 0 40 BFAB COc1cc(C[C@@H](N)c2ccccc2)ccc1O 1668278 VXJLGUYBGTVBRZ-CYBMUJFWSA-N 243.306 2.643 0 40 BFAB COc1ccc(C2O[C@H](C)[C@@H](C)O2)cc1 1693708 XMOHCCOGLAVOMA-RKDXNWHRSA-N 208.257 2.518 0 40 BFAB CCCCN(CCCC)S(=O)(=O)CCC 1732384 ZQDBIONFDMHRKT-UHFFFAOYSA-N 235.393 2.628 0 40 BFAB Cc1csc(NC(=O)/C=C/c2ccco2)n1 2737481 BWPSLDADAAYXLA-SNAWJCMRSA-N 234.280 2.696 0 40 BFAB COc1ccc(-c2nnc3n2CCCCC3)cc1 3103744 KXLBDDZCWXWYRL-UHFFFAOYSA-N 243.310 2.680 0 40 BFAB c1ccc(Cn2c3ccccc3n3ncnc23)cc1 3213714 LZZLWQJEBOHUTR-UHFFFAOYSA-N 248.289 2.732 0 40 BFAB CC(C)NC(=S)Nc1ccc(F)cc1 7556390 ATIFUKQIAIJSMI-UHFFFAOYSA-N 212.293 2.521 0 40 BFAB Cc1cc(C)cc([C@H](O)C(F)(F)F)c1 9477689 DQTXEAKXIGCGEJ-VIFPVBQESA-N 204.191 2.899 0 40 BFAB in-vitro CC(C)c1ccc(C(=O)C2CCNCC2)cc1 11630759 YONKWXGFPWDXOL-UHFFFAOYSA-N 231.339 2.992 0 40 BFAB NC(=O)/C=C\c1ccccc1Oc1ccccc1 12960368 ZYSUKZXLXFAIAP-KHPPLWFESA-N 239.274 2.977 0 40 BFAB COc1ccccc1-c1ccccc1CN 14629059 NWHWUYVVFQTNRX-UHFFFAOYSA-N 213.280 2.821 0 40 BFAB COc1ccc([C@@H](C)NC[C@@H]2CCCO2)cc1 19963604 NICCLSBWWUDBHY-RISCZKNCSA-N 235.327 2.525 0 40 BFAB Nc1ccc(C(=O)Nc2cccnc2)c(Cl)c1 22141112 XIWNTJCEFBWVDK-UHFFFAOYSA-N 247.685 2.570 0 40 BFAB CCOC(=O)/C=C1\CCc2cc(OC)ccc21 35259786 CSYXYILSDUPUAF-PKNBQFBNSA-N 232.279 2.588 0 40 BFAB Cc1cccc(-c2ccc(C(=O)O)cn2)c1 35630081 UMRDKPQRPNBCAY-UHFFFAOYSA-N 213.236 2.755 0 40 BFAB Cc1ccc(CCC(=O)O)c(Br)c1 36205458 YOZNOKVYPIBZHS-UHFFFAOYSA-N 243.100 2.775 0 40 BFAB Cc1cccc(-c2n[nH]c(-c3ccncc3)n2)c1 40169605 WMIHWPDDRQLYGK-UHFFFAOYSA-N 236.278 2.842 0 40 BFAB O=Cc1ccc(F)c(-c2ccncc2)c1 40231677 CPYLRTYGSUHTNV-UHFFFAOYSA-N 201.200 2.700 0 40 BFAB in-vitro CCCNC(=O)CCc1ccccc1Cl 40459988 PMYMGHHWSYFOJG-UHFFFAOYSA-N 225.719 2.799 0 40 BFAB Cc1cc(CSc2nccn2C2CC2)on1 40485729 IWDNAEAUCDUALL-UHFFFAOYSA-N 235.312 2.807 0 40 BFAB COc1cc(NCc2ncc[nH]2)ccc1Cl 43195209 QUNSZAMGHZWNNY-UHFFFAOYSA-N 237.690 2.684 0 40 BFAB Clc1cc2cc[nH]c2nc1Br 44712693 CBDBHJYXEIPAHD-UHFFFAOYSA-N 231.480 2.979 0 40 BFAB Cc1ccc(CN(C)C(=O)c2cccnc2)cc1 45825025 FSIIQXYZGAQHRN-UHFFFAOYSA-N 240.306 2.662 0 40 BFAB CC/C=C(\C)C(=O)Nc1ccc(OC)cc1 47666917 AESWFXQZCLGLTE-BJMVGYQFSA-N 219.284 2.990 0 40 BFAB c1ccc2nc(NCC[C@@H]3CCCO3)cnc2c1 47873305 QQDUYKOMVSWWRI-NSHDSACASA-N 243.310 2.611 0 40 BFAB CNC[C@@H]1C[C@@H]1c1ccc(OC(F)(F)F)cc1 54588448 UIVWDSBDSZGDDA-GXSJLCMTSA-N 245.244 2.908 0 40 BFAB CC(C)c1ccc2nc(O)cc(C(=O)O)c2c1 62152253 FICCGZKDZTUZIH-UHFFFAOYSA-N 231.251 2.762 0 40 BFAB CCC[C@@H](C(=O)N[C@H](C)COC)c1ccccc1 65621875 PEXNPUNIMLLHFL-TZMCWYRMSA-N 249.354 2.721 0 40 BFAB Cc1cc(C2=NCCCC2)cnc1N1CCCC1 72218811 XGSWXNNVNYXCRB-UHFFFAOYSA-N 243.354 2.963 0 40 BFAB Cc1ccc(-c2cc(C3(CO)CC3)no2)cc1C 72220644 NQFZHFKHXGVREW-UHFFFAOYSA-N 243.306 2.982 0 40 BFAB CC(C)CCOC(=O)C[C@@H](CN)CC(C)C 83862722 IVPCRIJOMCNXEW-LBPRGKRZSA-N 229.364 2.587 0 40 BFAB COCCc1nc(-c2cc3ccccc3o2)no1 88339225 IZNYGFCBBVZQSO-UHFFFAOYSA-N 244.250 2.672 0 40 BFAB CCOC(=O)c1cnc2cc(F)ccc2c1 91692629 HWMLJKYHBJTLSL-UHFFFAOYSA-N 219.215 2.551 0 40 BFAB O=C(O)c1ccc(OC2CCCCC2)cc1O 95725184 GVUQQIOIHJDSJT-UHFFFAOYSA-N 236.267 2.802 0 40 BFAB O=C(O)c1coc2cc(Br)ccc12 95764196 NWNPYUMOFOZKJH-UHFFFAOYSA-N 241.040 2.894 0 40 BFAB CC(C)C(=O)N[C@H]1CCCc2cn(C(C)C)nc21 96002853 ADSYNAXYCKVXLL-LBPRGKRZSA-N 249.358 2.614 0 40 BFAB O=Cc1ccc2ccc3ncccc3c2n1 96029315 XVNBRPIGVQKJGQ-UHFFFAOYSA-N 208.220 2.596 0 40 BFAB C[C@@H](NC(=O)c1ccncc1)[C@H]1C[C@@H]2CC[C@@H]1C2 100384395 QWPBNHGILXSDPW-HBJVGIJOSA-N 244.338 2.636 0 40 BFAB CC(=O)OCC(=O)c1ccc(Cl)c(Cl)c1 140396491 BCPUMZZEYHHAIS-UHFFFAOYSA-N 247.077 2.739 0 40 BFAB Cc1cc(NC[C@H](C)c2ccccc2)n(C)n1 194368988 FTJAIOTVDIUVRO-NSHDSACASA-N 229.327 2.944 0 40 BFAB CCCC(=O)Nc1ccc(NC(=O)CCC)nc1 1358304 WVZSNJMIUFFHMA-UHFFFAOYSA-N 249.314 2.559 0 40 BFAB O=C(CCN1CCCCC1)c1cccs1 1724533 DXGZIROEOMANMC-UHFFFAOYSA-N 223.341 2.807 0 40 BFAB biogenic NC(=O)CSc1cc(Cl)ccc1Cl 1733028 BYHZPPKAVSWEBE-UHFFFAOYSA-N 236.123 2.571 0 40 BFAB Cc1ccccc1Nc1nc(C(=O)O)cs1 2528916 IUQPXTTVIWXDBO-UHFFFAOYSA-N 234.280 2.893 0 40 BFAB Cc1ccccc1NC(=O)c1cncc(Cl)n1 3851949 AXHHSRACODCVKX-UHFFFAOYSA-N 247.685 2.691 0 40 BFAB biogenic CNc1nnc(-c2ccccc2C)s1 5001342 KZXCXNOQWCHSJO-UHFFFAOYSA-N 205.286 2.555 0 40 BFAB O[C@@]1(Cc2ccccn2)CCCc2ccccc21 5104013 SHIGBEQKJJOLFP-MRXNPFEDSA-N 239.318 2.848 0 40 BFAB Cc1cc2sc(-c3ccccc3)c(O)[n+]2cn1 5926689 LZBSZIBWLYMXFZ-UHFFFAOYSA-O 243.311 2.563 0 40 BFAB CCCn1ccc(NCc2ccc(O)cc2)n1 12395440 JWHSGAKAKMGEEY-UHFFFAOYSA-N 231.299 2.611 0 40 BFAB CC(C)NC(=O)c1ccc(-n2cccc2)cc1 12528429 HGKQSZFTOFBBPN-UHFFFAOYSA-N 228.295 2.616 0 40 BFAB CCONC(=O)c1csc2ccccc12 12906863 AXLSCSLDHUGIDB-UHFFFAOYSA-N 221.281 2.583 0 40 BFAB CCc1c(-c2ccc(Cl)cc2)nn(C)c1N 26511920 CZTLUXWUAPBYRJ-UHFFFAOYSA-N 235.718 2.885 0 40 BFAB CC1(C)CNC(=O)N[C@H]1c1ccc(Cl)cc1 27061958 WICIBBDTLKQCBP-JTQLQIEISA-N 238.718 2.720 0 40 BFAB O=C(NCC1CC1)c1ccc(Cl)cc1F 32909829 HOFUIZKEPAKIDL-UHFFFAOYSA-N 227.666 2.619 0 40 BFAB Cc1ccc(COCC[C@@H]2CCCNC2)cc1 42772030 VYZCTXGKIQAAHQ-AWEZNQCLSA-N 233.355 2.901 0 40 BFAB Clc1cccc(NCc2ccco2)n1 42783990 IHDLXJVOVJWCJQ-UHFFFAOYSA-N 208.648 2.940 0 40 BFAB Nc1ccnc2c(Br)cc(F)cc12 50844329 VWKMEADFEAFVIN-UHFFFAOYSA-N 241.063 2.719 0 40 BFAB CCn1c(C(C)=O)nc2ccc(Cl)cc21 53944139 FDMOBZPKNXTSPL-UHFFFAOYSA-N 222.675 2.912 0 40 BFAB CC(C)COc1cc(F)ccc1[C@H](C)O 62749307 AXCCNCIDRJINLO-VIFPVBQESA-N 212.264 2.914 0 40 BFAB CC(C)c1cccc2c1ncc1c(O)n[nH]c12 64873753 LGZIDDKSEHBESX-UHFFFAOYSA-N 227.267 2.940 0 40 BFAB Cc1cc(SC(C)(C)C)ncc1CO 72223855 WVIKODZKYICUJR-UHFFFAOYSA-N 211.330 2.773 0 40 BFAB CCCNC(=O)NCCCc1cccc(C)c1 74554322 SNERHNKBNFDWQP-UHFFFAOYSA-N 234.343 2.637 0 40 BFAB CC(C)(C)OC(=O)N[C@@H]1CNc2ccccc21 84786106 XZLKLTBWOBSTJN-LLVKDONJSA-N 234.299 2.678 0 40 BFAB in-vitro Cc1cccc2cc(CC(=O)O)c(Cl)nc12 89261877 BHKSKRUYHBABHF-UHFFFAOYSA-N 235.670 2.824 0 40 BFAB Fc1ccc(N2CCOCC2)c(C(F)(F)F)c1 95081278 ISYBVXCMYRUZLJ-UHFFFAOYSA-N 249.207 2.681 0 40 BFAB CCC[C@@H](O)[C@@H]1CCCN[C@@H]1c1ccccc1 95095234 QQUXYJDNGLNLKL-RRFJBIMHSA-N 233.355 2.888 0 40 BFAB CC(C)CNc1ncc(C(F)(F)F)cc1N 95096668 QKNZCBODEAKNOK-UHFFFAOYSA-N 233.237 2.751 0 40 BFAB COc1ncccc1OCc1ccccc1 95347607 DEFQYOQSCPJSBT-UHFFFAOYSA-N 215.252 2.669 0 40 BFAB in-vitro CC1(C)CCCN1C(=O)c1c(F)cccc1F 97100984 YOPSAOVVKYUTGZ-UHFFFAOYSA-N 239.265 2.979 0 40 BFAB Cc1nc2ccccc2c(NC[C@@H](C)O)c1C 97371927 XTVPKHUZCNTUDA-SECBINFHSA-N 230.311 2.644 0 40 BFAB O=C1[C@H]2CCCC[C@H]2C(=O)N1c1ccc(F)cc1 100056857 KEYGOTKLCRWNDY-TXEJJXNPSA-N 247.269 2.505 0 40 BFAB C[C@]12CC3(CN)CC(CCN)(C1)C[C@](C)(C3)C2 100097849 QYAAPDQUHMGQBK-LMRVLLHPSA-N 236.403 2.661 0 40 BFAB O[C@@H]1c2ccccc2[C@H](O)[C@@H]2[C@@H]1[C@H]1C=C[C@H]2CC1 100516563 CXKDRWRWLKDGTN-PXCXQZQXSA-N 242.318 2.595 0 40 BFAB Oc1cc(Br)cnc1C(F)(F)F 207116566 JWCALUYKURWLJH-UHFFFAOYSA-N 241.994 2.569 0 40 BFAB CCCN(c1c(C)cccc1C)[C@@H](C)C(=O)O 224983541 FWSDISIEUNGSKS-LBPRGKRZSA-N 235.327 2.993 0 40 BFAB CCn1nc(C)cc1NCc1cccc(F)c1 256053168 QIDBLBKCENMRAU-UHFFFAOYSA-N 233.290 2.963 0 40 BFAB C[C@H](F)CCN1CCCC2(CCOCC2)C1 334502852 CGJLWDAXNWXRAY-LBPRGKRZSA-N 229.339 2.627 0 40 BFAB CCOC(=O)c1c(Cl)cnn1C1CCCC1 408717254 XMHXDRQJCOHUDB-UHFFFAOYSA-N 242.706 2.828 0 40 BFAB O=C(O)c1coc2c1CC[C@H](C(F)(F)F)C2 575421747 AXSGZPFJWXCESB-YFKPBYRVSA-N 234.173 2.645 0 40 BFAB c1ccc(-c2nnc(-c3ccccn3)s2)nc1 1697077 BGORQFGAWSNEBU-UHFFFAOYSA-N 240.291 2.662 0 40 BFAB Cc1ccc(NC(=O)[C@H](F)C(F)(F)F)cc1 3183748 FIRLPILGMKGHAU-QMMMGPOBSA-N 235.180 2.834 0 40 BFAB COC(=O)c1ccc(-c2ccc(C=O)o2)c(C)c1 4739699 JDNVUVBLEFEZII-UHFFFAOYSA-N 244.246 2.854 0 40 BFAB [O-][N+]1=N[C@@H]2CCCC[C@@H]2N1OCc1ccccc1 4837204 NCRUWSXQSHNFIR-OLZOCXBDSA-N 247.298 2.623 0 40 BFAB COc1ccc(C)cc1[C@H](C)NC(=O)C1CCC1 8128277 DXTVUMHEYSXUAH-NSHDSACASA-N 247.338 2.981 0 40 BFAB O=C(NC1CCCCC1)c1n[nH]c2ccccc12 8202632 OIUOOHQNKOIQGL-UHFFFAOYSA-N 243.310 2.625 0 40 BFAB O=c1[nH]c2ccccc2nc1Cc1ccccc1 8619751 XEVRCXXOIPCZGJ-UHFFFAOYSA-N 236.274 2.514 0 40 BFAB CCc1cc(=O)[nH]c(Nc2ccc(C)c(C)c2)n1 11903435 UORVOXWVMGDNGG-UHFFFAOYSA-N 243.310 2.693 0 40 BFAB CCn1cc(-c2nc3ccccc3[nH]2)c(C)n1 12397145 YJAMGOZLWKQFFM-UHFFFAOYSA-N 226.283 2.755 0 40 BFAB C[C@@H](NC(=O)c1ccoc1)c1cccc(F)c1 12953612 JYZOMEWCGFZALQ-SECBINFHSA-N 233.242 2.910 0 40 BFAB CN(Cc1ccccc1F)C(=O)C1CCCC1 12979410 TYIXTKMVNPMZBF-UHFFFAOYSA-N 235.302 2.974 0 40 BFAB CNC(=O)Cc1ccc(-c2ccccc2)cc1 14862103 JWSKRSYVGGDUJO-UHFFFAOYSA-N 225.291 2.642 0 40 BFAB C[C@H]1CC(=O)c2cnn(-c3ccccc3F)c2C1 16972905 FZQQQKNMZDPHRM-SECBINFHSA-N 244.269 2.776 0 40 BFAB CCSc1nnc2c(n1)[nH]c1ccc(C)cc12 18190485 GKHCPJRSVBGSAF-UHFFFAOYSA-N 244.323 2.927 0 40 BFAB COc1ccc2[nH]c3c(c2c1)C(=O)CCC3 20217103 UIONPYATGROVHA-UHFFFAOYSA-N 215.252 2.696 0 40 BFAB Cc1nn(C)cc1NCc1cccc(F)c1F 20350366 LJTFNGOLQLADLS-UHFFFAOYSA-N 237.253 2.619 0 40 BFAB Cc1ccccc1Cc1cnc(N)s1 21953082 HVBQNABRJKMLAU-UHFFFAOYSA-N 204.298 2.625 0 40 BFAB in-vitro CC1CCN([C@H]2OC(=O)c3ccccc32)CC1 27662429 QNDAZYBZKBUSHE-ZDUSSCGKSA-N 231.295 2.588 0 40 BFAB C[C@H]1Oc2c(C(=O)N3CCCC3)cccc2[C@H]1C 32820040 AQICUQZJCACHLG-WDEREUQCSA-N 245.322 2.807 0 40 BFAB Cc1ccc([C@H](O)CNC2CCCCC2)cc1 33464950 VHKYWCQGVQVPAJ-OAHLLOKOSA-N 233.355 2.951 0 40 BFAB CC(=O)Nc1cc(F)c(C)c2c1CCCC2 34482487 RSIIDEXJEKVHHH-UHFFFAOYSA-N 221.275 2.971 0 40 BFAB O=C(NOCc1ccccc1)c1cccs1 36727610 LXDZTTRUHWWLQW-UHFFFAOYSA-N 233.292 2.610 0 40 BFAB C[C@@H](CN)c1ccccc1C(F)(F)F 37245841 DCNZANLJRMZXRU-ZETCQYMHSA-N 203.207 2.768 0 40 BFAB CC(C)CN1CCC[C@@H]1c1cccnc1 38251932 GLJJMSCSMAMGLB-CYBMUJFWSA-N 204.317 2.875 0 40 BFAB NC(=O)c1ccc(-c2ccc(F)cc2)cc1F 47204133 YLMMMWUOLQOFRW-UHFFFAOYSA-N 233.217 2.731 0 40 BFAB c1cncc(-c2n[nH]c(-c3cccs3)n2)c1 54699963 LCIYCBQRGDVQMU-UHFFFAOYSA-N 228.280 2.595 0 40 BFAB CCn1ccnc1COc1cccc(C(C)=O)c1 54743593 FXCWPJNYJTXVSD-UHFFFAOYSA-N 244.294 2.685 0 40 BFAB CCOc1ccc(/C=C/CC(=O)O)cc1 62710447 KDHIBESTXRUFJM-ONEGZZNKSA-N 206.241 2.573 0 40 BFAB CCOC(=O)c1cc2c(C)snc2s1 69476363 VNGBTOOLBDSNIO-UHFFFAOYSA-N 227.310 2.843 0 40 BFAB CC[C@H](C)Nc1ccc([C@@H]2CCCN2C=O)cn1 72213480 ITKSNQDZRJLYPI-AAEUAGOBSA-N 247.342 2.585 0 40 BFAB O=C1CCCC[C@@H]2NC[C@H](c3ccccc3)[C@@H]12 82169928 FBODYRRHMNRLID-VNHYZAJKSA-N 229.323 2.501 0 40 BFAB biogenic C[C@@H](NCc1ccccn1)c1ccccc1N 95097487 ANHSSVFECPRFHA-LLVKDONJSA-N 227.311 2.515 0 40 BFAB CCCCCCNCc1ccnn1CC 96033637 CXBMCAACKZNNGQ-UHFFFAOYSA-N 209.337 2.573 0 40 BFAB CC(=O)NCc1cc(C2CC2)n(C2CCCC2)n1 96104042 IISKMROBQGATIY-UHFFFAOYSA-N 247.342 2.512 0 40 BFAB CC(C)[C@H](N)CN1CC=C(c2ccccc2)CC1 96523739 KRUGHDNGJHKDFD-MRXNPFEDSA-N 244.382 2.759 0 40 BFAB C[C@H](O)Cc1ccc(F)c2ccccc12 96543450 HCIHDJJHPCXDBK-VIFPVBQESA-N 204.244 2.902 0 40 BFAB COc1c(C(F)(F)F)ccc(F)c1C(=O)O 97439013 KPULIUVLABZVQR-UHFFFAOYSA-N 238.136 2.551 0 40 BFAB CCOc1ccc(CNc2cc(C)n(C)n2)cc1 129566512 BEQLVEHWHKVYIJ-UHFFFAOYSA-N 245.326 2.739 0 40 BFAB C[C@@H](CCn1cccn1)NC[C@H]1CC=CCC1 158716616 XDPMWDROVGNJFV-KBPBESRZSA-N 233.359 2.608 0 40 BFAB COc1ccc(Cl)cc1N[C@H]1CCC[C@H]1N 218880723 FRXLKWXWXMYKMW-ZJUUUORDSA-N 240.734 2.640 0 40 BFAB CN1C=C2C(=Nc3ccc(F)cc32)CC1 225810447 SMNBCPPKSZJHEO-UHFFFAOYSA-N 202.232 2.588 0 40 BFAB CC(C)n1c(CO)ccc1Cc1ccco1 226031542 AVBKYODGIDUSHL-UHFFFAOYSA-N 219.284 2.745 0 40 BFAB COc1cc(NC(=O)C2CCC2)ccc1F 275413150 DJBXOEJJDUTHOJ-UHFFFAOYSA-N 223.247 2.573 0 40 BFAB CC1CCN(C(=O)/C=C/c2ccccc2)CC1 36820 ZRCKFMCPKPWIEU-BQYQJAHWSA-N 229.323 2.958 0 40 BFAB CCOC(=O)CSc1ccc2ccccc2n1 163601 AIHOCXBKNMJTLF-UHFFFAOYSA-N 247.319 2.890 0 40 BFAB C[n+]1c(C(C)(C)C)csc1NCC1CC1 164174 ZDOOGJXTHQAXHC-UHFFFAOYSA-O 225.381 2.692 0 40 BFAB Nc1ccc(-c2csc(N3CCCC3)n2)cc1 321689 MBJDRLGSHUIGSG-UHFFFAOYSA-N 245.351 2.993 0 40 BFAB O=C1O[C@H](Cc2ccccc2)[C@H]1c1ccccc1 1681774 FJKYJODNGSADFL-HUUCEWRRSA-N 238.286 2.938 0 40 BFAB Cc1cc(C)c2c(CC(=O)O)c(C)[nH]c2c1 1848248 MZVKWYHEJPCSMR-UHFFFAOYSA-N 217.268 2.720 0 40 BFAB in-vitro CCN(CC)CC(=O)N(c1ccccc1)C(C)C 2030344 MGRPAVUDIRURIN-UHFFFAOYSA-N 248.370 2.770 0 40 BFAB COc1ccccc1-c1ccc(C=O)cn1 2527546 ILBFQMDDFXVMSH-UHFFFAOYSA-N 213.236 2.570 0 40 BFAB CC1(C)CN=C(NCCc2ccccc2)S1 3103386 ACXFLPYAUAJRMJ-UHFFFAOYSA-N 234.368 2.700 0 40 BFAB CON1CC2(CCCCC2)C(=O)[C@]12C=CCCC2 5004848 BQFOXRSTNHPSRC-OAHLLOKOSA-N 249.354 2.862 0 40 BFAB CC(C)=C[C@@H]1[C@H](C(=O)NC2CC2)C1(C)C 12905696 PADZZLZDZKMHPI-GHMZBOCLSA-N 207.317 2.503 0 40 BFAB FC(F)(F)c1cccc(O[C@@H]2CCCNC2)c1 14631695 AFCIGAUDFUCOEQ-LLVKDONJSA-N 245.244 2.836 0 40 BFAB O=C(Nc1ccc2ncccc2c1)c1ccncc1 18192363 KFVWOTSHXWAFMK-UHFFFAOYSA-N 249.273 2.882 0 40 BFAB C[C@@H]1N[C@H](C)Cc2c1[nH]c1ccccc21 19972706 WPILWEFRBGMVDD-BDAKNGLRSA-N 200.285 2.763 0 40 BFAB C[C@@H](CNc1ccnn1C)c1ccccc1 20351640 HDVGWIAGFIEOHR-NSHDSACASA-N 215.300 2.636 0 40 BFAB Cc1cc(-c2cncc(Cl)n2)ccc1C(=O)O 22005438 UCZDDNZWYYHJAW-UHFFFAOYSA-N 248.669 2.804 0 40 BFAB O=C(CNC1=NCCCCC1)c1ccc(F)cc1 26506965 ZKTCVSCBRATISE-UHFFFAOYSA-N 248.301 2.571 0 40 BFAB O=C(OCc1ccccc1)N1C[C@H]2C=C[C@@H]1C2 34624873 NDKQMNWQGHSZMJ-QWHCGFSZSA-N 229.279 2.584 0 40 BFAB COc1cncc(-c2ccc(C(=O)O)s2)c1 34924636 RSNZDWLZTGGWJH-UHFFFAOYSA-N 235.264 2.517 0 40 BFAB C[C@H](CNCC(=O)O)c1ccc(C(C)(C)C)cc1 35616592 KISTVFSTSLWWPD-LLVKDONJSA-N 249.354 2.762 0 40 BFAB Cc1ccc(-c2ccc(C(=O)O)n2C)cc1 36917488 WCCUEIGHMCMCRW-UHFFFAOYSA-N 215.252 2.699 0 40 BFAB O=C(Cc1cccc(C(F)(F)F)c1)NC1CC1 40458953 NBMGLTNKTLGVQY-UHFFFAOYSA-N 243.228 2.527 0 40 BFAB C[C@@H]1CCC[C@@H](NC(=O)c2ccnc(F)c2)C1 41038983 CQPOUINBWZXCAO-MWLCHTKSSA-N 236.290 2.529 0 40 BFAB CC1(NCc2ccc3c(c2)OCO3)CCCC1 42176770 HWEYGSNBXQGJSF-UHFFFAOYSA-N 233.311 2.838 0 40 BFAB in-vitro Fc1cccc(COCC[C@@H]2CCCNC2)c1 42771889 ZDXNTXOOBNJADU-LBPRGKRZSA-N 237.318 2.732 0 40 BFAB COc1ccccc1SC[C@@H]1CCCN1 43497461 JGPJJTSSKAVRKC-JTQLQIEISA-N 223.341 2.539 0 40 BFAB Cc1cc(NCc2cccc(Cl)c2)nc(N)n1 43532078 CMDJEQBZNUUEDX-UHFFFAOYSA-N 248.717 2.633 0 40 BFAB CC[C@H]1CCC(=O)[C@H](C(=O)C(C)(C)C)C1 43651537 QVYXQKLUNDWERF-VHSXEESVSA-N 210.317 2.997 0 40 BFAB CC[C@@H](CO)NCc1csc2ccccc12 49943206 ZINUSJZFAICVOX-NSHDSACASA-N 235.352 2.762 0 40 BFAB Nc1ncccc1C(=O)NC1CCCCCCC1 50201412 VSNHUPPYXJRVAX-UHFFFAOYSA-N 247.342 2.507 0 40 BFAB Cc1noc(NCc2ccc(Cl)cc2)n1 57353881 DKSNRNQJCPNYJX-UHFFFAOYSA-N 223.663 2.644 0 40 BFAB O=C(COc1cccc(F)c1)Oc1ccccc1 66324541 AKKYTBOLYNXUTN-UHFFFAOYSA-N 246.237 2.810 0 40 BFAB Cc1cc(C)cc([C@H](O)c2ccoc2)c1 68890725 GUEIHERBDQNVRF-CYBMUJFWSA-N 202.253 2.978 0 40 BFAB COc1ccc(Cl)cc1N[C@@H]1CCOC1 70963747 ZOOKVFZGWMUOTC-SECBINFHSA-N 227.691 2.549 0 40 BFAB CC(C)(C)OC(=O)N1CCc2cccc(O)c21 71624919 AXPIBRZJKQQUHA-UHFFFAOYSA-N 235.283 2.690 0 40 BFAB Cc1cc(N(C)c2ccccc2)ncc1CN 72223337 DPJVHKIAYDIAPF-UHFFFAOYSA-N 227.311 2.617 0 40 BFAB N[C@H]1C[C@@H]1Cc1ccc(C(F)(F)F)cc1 75772390 ZBSMXVIYDHCTBX-WPRPVWTQSA-N 215.218 2.595 0 40 BFAB in-vitro Cc1cc(OCc2ccccc2)ncc1N 77306352 PISWVGLEAVTIHR-UHFFFAOYSA-N 214.268 2.551 0 40 BFAB O=C(O)C1(c2cc(Cl)ccc2F)CC1 82595546 MCPXNFDZINWIOA-UHFFFAOYSA-N 214.623 2.595 0 40 BFAB CCOC(=O)[C@H](C)C(=O)c1ccc(Cl)cc1 85396815 XOKSTGHVNBKSSE-MRVPVSSYSA-N 240.686 2.722 0 40 BFAB COc1ccc2nc(Cl)cc(Cl)c2n1 91297320 OBZCWYVPSYGAPU-UHFFFAOYSA-N 229.066 2.945 0 40 BFAB in-vitro CSc1ccccc1C1([C@@H](C)O)CC1 95739148 MOTZLLOPNQZURV-SECBINFHSA-N 208.326 2.821 0 40 BFAB C[C@@H](O[C@H]1CCNC1)c1ccc(Cl)cc1 96529827 HNSAYWWKVSGZOD-SKDRFNHKSA-N 225.719 2.780 0 40 BFAB Cc1ncccc1CN(C)[C@H](C)c1ccccn1 97113660 INLVSMKZFPIIAX-CYBMUJFWSA-N 241.338 2.978 0 40 BFAB CCC(=O)CC(=O)c1ccc(CC)cc1 101836743 PNQKTOXEVAAANC-UHFFFAOYSA-N 204.269 2.801 0 40 BFAB CCN(CC)CCCCOc1ccccc1C=O 217795636 NBBBHUQDQBDDEG-UHFFFAOYSA-N 249.354 3.000 0 40 BFAB FCCn1cc(NCCc2ccccc2)cn1 256050442 FAMUUGNKUUIJEJ-UHFFFAOYSA-N 233.290 2.507 0 40 BFAB Cc1ccncc1NC(=O)c1c(F)cccc1F 336384708 VQEDSEANOLBUTH-UHFFFAOYSA-N 248.232 2.921 0 40 BFAB c1ccc2c(c1)CCO[C@H]2COc1nccs1 585650683 DHAXAUHLHSHMJC-LBPRGKRZSA-N 247.319 2.836 0 40 BFAB Cc1ncc(-c2ccc(CN(C)C)s2)cc1N 929085285 XQDLCRCBNSLYTQ-UHFFFAOYSA-N 247.367 2.762 0 40 BFAB O=C(c1cnc(Cl)cc1Cl)C(F)F 1536085234 KSBUSGWILVKNDW-UHFFFAOYSA-N 226.009 2.836 0 40 BFAB CCOC(OCC)c1ccccc1OC 1570893 GXARMCJYOUZXEG-UHFFFAOYSA-N 210.273 2.767 0 40 BFAB CCOC(=O)[C@H](CCc1ccccn1)C(C)C 1675481 BNQJERDDDIMRMH-CYBMUJFWSA-N 235.327 2.850 0 40 BFAB CC1=CC[C@@H]2CO[C@@H](c3ccc[n+](C)c3)[C@H]1C2 2913268 QHCWCHOUDLMCMJ-QEJZJMRPSA-N 230.331 2.555 0 40 BFAB Cc1ccc(C(=O)CN2CCC[C@H](C)C2)cc1 3306565 CRZXEJPVYAEWNZ-ZDUSSCGKSA-N 231.339 2.910 0 40 BFAB OC[C@@H]1CC12c1ccccc1-c1ccccc12 5031255 CWGPWZHLBKURSE-NSHDSACASA-N 222.287 2.965 0 40 BFAB CCCCNCc1cccc(OC)c1OC 7261729 BMONATYNRAWNMZ-UHFFFAOYSA-N 223.316 2.594 0 40 BFAB CCCc1c(C)[nH]c2ccccc2c1=O 8579504 QQVOUEGGEOFBOX-UHFFFAOYSA-N 201.269 2.789 0 40 BFAB Cc1nc2ccccc2c(O)c1CN1CCCC1 8700821 LFTNCKGVYJIYHU-UHFFFAOYSA-N 242.322 2.845 0 40 BFAB CCCc1cc(-c2nc(C(=O)O)cs2)ccn1 8992595 DATHWVWCDMQCMA-UHFFFAOYSA-N 248.307 2.856 0 40 BFAB COc1cc(C=O)ccc1OCc1cscn1 20254008 JIJGWLHURVEHEX-UHFFFAOYSA-N 249.291 2.543 0 40 BFAB Cc1ccc(-c2cc(C(=O)NC(C)C)n[nH]2)s1 32794944 IKYCUGRSNZBLAC-UHFFFAOYSA-N 249.339 2.585 0 40 BFAB O[C@H](CCNCc1ccccc1)c1ccccc1 34458222 LNUDPASEMGLGKQ-MRXNPFEDSA-N 241.334 2.900 0 40 BFAB CC(=O)c1cccc(-c2cccc(C(C)=O)n2)n1 35653950 KYXBCPWHTPLSPY-UHFFFAOYSA-N 240.262 2.549 0 40 BFAB CCc1ccc(C(=O)NCCc2cccs2)o1 40082148 QRPJEVUDRMGUKN-UHFFFAOYSA-N 249.335 2.876 0 40 BFAB Cc1ccc(C(=O)O)cc1OCC(C)C 42227774 NVZDMSJKHMTRAF-UHFFFAOYSA-N 208.257 2.728 0 40 BFAB CC(C)NCc1nccc2ccccc12 43512602 ZAMMNZRJDOPNNB-UHFFFAOYSA-N 200.285 2.733 0 40 BFAB Cc1n[nH]c2c(C)cc(Br)cc12 51971892 XQNOSHGIULZYET-UHFFFAOYSA-N 225.089 2.942 0 40 BFAB CCC(=O)N[C@H](C)c1ccc2c(c1)CCC2 53388186 KLJPEKUEBBMXOJ-SNVBAGLBSA-N 217.312 2.763 0 40 BFAB CC(=O)N1CCC[C@H](COc2cccc(C)c2)C1 62555680 NDYJQEDNRTUERW-AWEZNQCLSA-N 247.338 2.632 0 40 BFAB Cc1ccccc1-c1cc(C(=O)NC(C)C)[nH]n1 65447557 QSWXFYRNEQRVEM-UHFFFAOYSA-N 243.310 2.523 0 40 BFAB c1ccc(CSc2nccn2C2CC2)nc1 73718866 YMDYDGNMNPJONH-UHFFFAOYSA-N 231.324 2.905 0 40 BFAB C[C@H](c1cccc(Cl)c1)N(CCO)C1CC1 79421120 ZXPFSCLOIHDLLL-SNVBAGLBSA-N 239.746 2.858 0 40 BFAB Cc1ccccc1-c1ccc(C(=O)O)c(N)c1 82768352 XLTYWAXXCVVHGU-UHFFFAOYSA-N 227.263 2.942 0 40 BFAB Cc1ccc(CNc2cnn(CC(C)C)c2)nc1 90199588 KHQFEUNSNVXRFM-UHFFFAOYSA-N 244.342 2.855 0 40 BFAB CCN(CC)Cc1cncc(Br)c1 90411210 AKELDZNZCYCLHL-UHFFFAOYSA-N 243.148 2.686 0 40 BFAB CC(=O)N(Cc1ccoc1)Cc1cccs1 90612056 TXLZIPLRSFKQMR-UHFFFAOYSA-N 235.308 2.890 0 40 BFAB CN(C(=O)NC[C@H]1C[C@H]1c1ccccc1)C1CC1 96406272 JVOYSBMXQWTRLV-OCCSQVGLSA-N 244.338 2.594 0 40 BFAB C[C@@H](NC(=O)C(C)(C)C)[C@@H]1C[C@@H]2CC[C@@H]1C2 100846400 OQNMQGCHGSHCCA-KKOKHZNYSA-N 223.360 2.973 0 40 BFAB CCOC(=O)N[C@H](C)[C@H]1C[C@@H]2CC[C@@H]1C2 100858714 KPSNZBHCVXBRQF-GWOFURMSSA-N 211.305 2.557 0 40 BFAB CCOC(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 102064291 KPSNZBHCVXBRQF-VPOLOUISSA-N 211.305 2.557 0 40 BFAB O=C(O)[C@@H]1C[C@@H]2C[C@@H]1C1(C2)SCCCS1 103697501 NQHGJCNDFGOZFI-HLTSFMKQSA-N 244.381 2.684 0 40 BFAB Cc1nc2ccc(C(=O)NC(C)C)cc2s1 107813764 XDFUBJLQYQUULS-UHFFFAOYSA-N 234.324 2.743 0 40 BFAB C=C[Sn](C=C)(CC)CC 195752589 ZQPHXFXBLCHXHD-UHFFFAOYSA-N 230.927 2.925 0 40 BFAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](C)N21 222639589 RYDGTFKDYRMSGL-JFGNBEQYSA-N 247.367 2.708 0 40 BFAB c1cc2c(nc1CN1CC[C@@H]1C1CC1)CCC2 334646401 XDFOEXQZTYSFCU-OAHLLOKOSA-N 228.339 2.555 0 40 BFAB Clc1ccnc2c1ncn2[C@@H]1CCCCO1 2362804343 LIENSJPUSVDWBC-VIFPVBQESA-N 237.690 2.784 0 40 BFAB CC(=O)Oc1cccc2c1-c1ccccc1C2=O 1713236 FNFUHOLGNQOFIG-UHFFFAOYSA-N 238.242 2.823 0 40 BFAB CC(C)CNC(=O)CCc1c[nH]c2ccccc12 3344831 KTXDXLHMXPCWEG-UHFFFAOYSA-N 244.338 2.873 0 40 BFAB Cc1cc(C)cc(NC(=S)NC(C)C)c1 7521813 GBMDUOCQLXAJPB-UHFFFAOYSA-N 222.357 2.998 0 40 BFAB Cc1cccc(NCC(C)(C)C(=O)O)c1 8702830 FXJNBHFFOONSPB-UHFFFAOYSA-N 207.273 2.518 0 40 BFAB COc1ccc(OC)c(Nc2cc(C)ncn2)c1 11902780 VTFCDPNHGVEMOV-UHFFFAOYSA-N 245.282 2.546 0 40 BFAB Nc1cc(F)ccc1OCc1ccccc1 14629852 NMRHRZIRARORAE-UHFFFAOYSA-N 217.243 2.987 0 40 BFAB in-vitro N[C@H]1CCCOc2ccc(Br)cc21 19408216 CHGCHQWOZKAONL-VIFPVBQESA-N 242.116 2.622 0 40 BFAB Cc1c(C=O)c(C)n(-c2ccccn2)c1C 22122408 AXTYMGFUXBQVDE-UHFFFAOYSA-N 214.268 2.610 0 40 BFAB C[C@@H]1NCCc2c1[nH]c1ccc(F)cc21 22863903 TZRAQZRTBMRRCH-ZETCQYMHSA-N 204.248 2.514 0 40 BFAB O=C1CCOc2cc(Cl)cc(Cl)c21 36813834 LTWDKHFUIPDBEU-UHFFFAOYSA-N 217.051 2.959 0 40 BFAB in-vitro NC1(c2cccc(C(F)(F)F)c2)CCOCC1 36906446 MUWPVODRHHUXNC-UHFFFAOYSA-N 245.244 2.670 0 40 BFAB in-vitro CN1C(=O)CCS[C@H]1c1ccc(Cl)cc1 38351570 AMIDZXQBSZMUEL-NSHDSACASA-N 241.743 2.934 0 40 BFAB Cn1ccc(=O)c2cccc(C(F)(F)F)c21 40164089 LKJGMOXLPPCGLO-UHFFFAOYSA-N 227.185 2.557 0 40 BFAB CC[C@H]1CCCCN1C(=O)c1ccoc1 40474246 YKBWVZDLXGOXME-NSHDSACASA-N 207.273 2.684 0 40 BFAB CCC(=O)Nc1nc2c(OC)cccc2s1 40966284 YQQKKMDGTWMMKG-UHFFFAOYSA-N 236.296 2.653 0 40 BFAB C[C@H]1C[C@@H]1c1ccc(CCC(=O)NCC2CC2)o1 43752488 WKDRNSSPNDPGLC-GWCFXTLKSA-N 247.338 2.862 0 40 BFAB Cc1ccc(NCCn2cccn2)cc1Cl 49313981 HJPRRYOFYISFGG-UHFFFAOYSA-N 235.718 2.957 0 40 BFAB Cc1cc(N2CCCC2)nc2ccc(N)cc12 49452835 VVYZYKLVJFOYMN-UHFFFAOYSA-N 227.311 2.726 0 40 BFAB CCc1nnc(CSc2nc(C)cs2)o1 54154736 NJOGLIGSFRONRD-UHFFFAOYSA-N 241.341 2.689 0 40 BFAB COC(=O)C(C)(C)c1ccc(C(=O)C2CC2)cc1 65739548 PXFHOZWONRQTBM-UHFFFAOYSA-N 246.306 2.730 0 40 BFAB in-vitro CN1CCC[C@@H]1c1cccnc1NC1CCC1 72213883 KKYLGXFWYHVLQD-CYBMUJFWSA-N 231.343 2.813 0 40 BFAB CCCCN1CCC[C@@H]1c1cnc(N)cc1C 72218505 ITDSJYNKBODQRO-CYBMUJFWSA-N 233.359 2.909 0 40 BFAB Cc1cc([C@@H](C)N)cnc1NC(C)(C)C 72222932 PUQUQYIMWPTOPB-SECBINFHSA-N 207.321 2.620 0 40 BFAB c1csc(Sc2ncnc3[nH]ncc23)c1 75610199 SOKLJPNSRLXOEA-UHFFFAOYSA-N 234.309 2.566 0 40 BFAB CCOC(=O)c1cnn(CC)c1-c1ccccc1 75896632 KALWQRARYOKRFI-UHFFFAOYSA-N 244.294 2.747 0 40 BFAB Cc1ccc(C)c(CNc2ncccc2CO)c1 83370570 LSJGXRKTPNYITI-UHFFFAOYSA-N 242.322 2.803 0 40 BFAB CCOC(=O)c1cc(O)c2cc(F)ccc2c1 85223518 LVDKTCMSIQDCMA-UHFFFAOYSA-N 234.226 2.861 0 40 BFAB O=c1occc2c(Br)cccc12 95616683 WHYKRNIHXWPVRG-UHFFFAOYSA-N 225.041 2.556 0 40 BFAB C[C@H](C(=O)NCc1ccncc1)c1ccccc1 96026207 YGUDYTLAAIGCNV-LBPRGKRZSA-N 240.306 2.502 0 40 BFAB OCc1ccc(Cl)c(NCc2ccccn2)c1 96489080 ZNPPKTXKDUFRDX-UHFFFAOYSA-N 248.713 2.839 0 40 BFAB CCC(=O)c1c(O)cccc1OC(C)C 106679945 ODYUPSXSTBEPGB-UHFFFAOYSA-N 208.257 2.772 0 40 BFAB NC[C@@H](Cc1ccccc1)OCc1ccccc1 165694956 MYZMKVXWYFWJFK-MRXNPFEDSA-N 241.334 2.773 0 40 BFAB Cc1cc([C@H]2CCNC(=O)C2)ccc1Cl 199779619 KKCMXKLUBVCAFT-JTQLQIEISA-N 223.703 2.642 0 40 BFAB Cc1cc(Br)nn1-c1ccccc1 218300299 SUFNGHDKZNJEJV-UHFFFAOYSA-N 237.100 2.943 0 40 BFAB CC[C@@H](NC(C)=O)c1ccc(OC)c(C)c1 224484993 HVHNKSYGCAMYDT-GFCCVEGCSA-N 221.300 2.591 0 40 BFAB C[C@H]1c2ccccc2N[C@H]2CCOC[C@H]21 225816948 CKNOUHZRZPFKDC-GAFUQQFSSA-N 203.285 2.621 0 40 BFAB CCn1nc(C)cc1NCc1ccccc1 256052253 MOFOJUPYKASDRF-UHFFFAOYSA-N 215.300 2.824 0 40 BFAB CC(C)n1nccc1CNCc1cccc(F)c1 256054386 WBDODICECUHSSN-UHFFFAOYSA-N 247.317 2.893 0 40 BFAB COc1ccc2c(c1)C[C@H](C)c1sc(=N)[nH]c1-2 408722549 KFLFYEBFACLCJK-ZETCQYMHSA-N 246.335 2.891 0 40 BFAB CC(=O)OC(C)(C)C(=O)c1ccc(F)cc1C 575357395 GZRHXBKOAZVGPJ-UHFFFAOYSA-N 238.258 2.659 0 40 BFAB NCc1cc(-c2ccncc2)n(C2CCCC2)n1 606440295 NGHQJJTYASXPEY-UHFFFAOYSA-N 242.326 2.519 0 40 BFAB CCC(=O)Nc1nc2c(F)cc(F)cc2s1 1516376 GWWIBAFXDOVRCY-UHFFFAOYSA-N 242.250 2.923 0 40 BFAB CCN(CC)CCCN1C[C@H]2CCCC[C@@H]2C1 1676240 JPQGOWFNIVVTHE-HUUCEWRRSA-N 238.419 2.840 0 40 BFAB OC[C@H]1CC12c1ccccc1-c1ccccc12 1709870 CWGPWZHLBKURSE-LLVKDONJSA-N 222.287 2.965 0 40 BFAB COc1cc(CNCc2ccccc2)ccc1O 1714971 KXXBEKGUFGRVPY-UHFFFAOYSA-N 243.306 2.691 0 40 BFAB CC(=O)NCCCc1c[nH]c2ccc(C)cc12 2026768 MIDGDDFMMSNBFL-UHFFFAOYSA-N 230.311 2.545 0 40 BFAB biogenic NCc1cccc(SC(F)(F)F)c1 2560233 YPPYNSNXKGEPFF-UHFFFAOYSA-N 207.220 2.757 0 40 BFAB O=C(NCc1ccccc1)[C@@H]1C[C@H]2CC[C@@H]1C2 2754449 XDJPRXQVKVZIMU-BFHYXJOUSA-N 229.323 2.739 0 40 BFAB Cc1nc(-c2ccsc2)sc1C(=O)O 4218654 OGULDBMEXPEPDX-UHFFFAOYSA-N 225.294 2.878 0 40 BFAB in-vitro NNc1cccc(/C=C\c2ccccc2)cc1=O 4976433 SUNOPNYHLKRKHR-KTKRTIGZSA-N 238.290 2.503 0 40 BFAB COc1ccccc1NC(=O)C(C)(C)C 5726576 DEAXWXKYKLQHPE-UHFFFAOYSA-N 207.273 2.680 0 40 BFAB CCOc1ccc2[nH]c3nc(=S)[nH]nc3c2c1 6499745 UQLHTRJVIHDXOM-UHFFFAOYSA-N 246.295 2.567 0 40 BFAB CCCCNC(=O)c1ccc(N2CCCC2)cc1 7383482 KAMQAILANIKZEM-UHFFFAOYSA-N 246.354 2.817 0 40 BFAB Cc1ccc(-c2ccc(/C=C/C(=O)O)o2)cc1N 8413004 XSXYPUMDNALFLZ-FNORWQNLSA-N 243.262 2.935 0 40 BFAB CCC[C@H](C)C(=O)Nc1cc(N)ccc1OC 8703555 XVZPMEMMBVOKCY-VIFPVBQESA-N 236.315 2.652 0 40 BFAB CCOc1oc(-c2cccs2)nc1C(=O)O 9156374 QKPNHNBCKNWOFO-UHFFFAOYSA-N 239.252 2.500 0 40 BFAB COc1cc2c(cc1OC)[C@H](C(C)(C)C)NCC2 11598988 FOAHVIKIRZCFDA-CQSZACIVSA-N 249.354 2.937 0 40 BFAB CC[C@H](C)NC(=O)c1cccc(C)c1C 12976324 LPPROGVFRVWLSH-JTQLQIEISA-N 205.301 2.832 0 40 BFAB CN(c1cc(C(=O)O)ccn1)C1CCCCC1 19844970 ULGMMHHQRFJKHC-UHFFFAOYSA-N 234.299 2.549 0 40 BFAB O=Cc1ccc(OCC(F)(F)F)c(F)c1 20079303 KEWFAWZOPQSONO-UHFFFAOYSA-N 222.137 2.579 0 40 BFAB in-vitro Cc1ccccc1CCNC(=O)c1occc1C 21668879 IBPWWIYXLJXUBF-UHFFFAOYSA-N 243.306 2.869 0 40 BFAB CSCc1ccc(C(=O)Nc2cn[nH]c2)cc1 35237476 ZHQSEBBVFNTVBV-UHFFFAOYSA-N 247.323 2.525 0 40 BFAB CCOCCN[C@H]1C[C@@H](C)CC(C)(C)C1 36228928 VNVWTBRJYBXOBM-NEPJUHHUSA-N 213.365 2.827 0 40 BFAB O=C(O)/C=C\c1cc(F)ccc1Br 36533664 AWWFJLNOEZAVHZ-RJRFIUFISA-N 245.047 2.686 0 40 BFAB C/C=C/C=C/C(=O)N[C@@H]1CCOc2ccccc21 39976126 MCWCQEWWDGHTRI-OQFUDAMXSA-N 243.306 2.759 0 40 BFAB CCCC(=O)CC(=O)c1cccc(C)c1 42413623 GDQCUJPWGSNYCS-UHFFFAOYSA-N 204.269 2.937 0 40 BFAB CCCc1ccccc1O[C@H]1CCCNC1 42776242 TTWCDIFUZQMRIL-ZDUSSCGKSA-N 219.328 2.770 0 40 BFAB COCC(=O)c1ccc(F)c2ccccc12 43504851 NDAZBHXZZYYPAE-UHFFFAOYSA-N 218.227 2.808 0 40 BFAB CCN(CC)C(=O)[C@H](C)Oc1cccc(C)c1 46869926 JNEWLERJDNYLOO-LBPRGKRZSA-N 235.327 2.631 0 40 BFAB O=C1C[C@@H]2CC[C@H](C1)N2Cc1ccc(F)cc1 54602994 YJTKTIYENPOKIG-BETUJISGSA-N 233.286 2.522 0 40 BFAB CC(C)(C(=O)NCC(F)(F)F)c1ccccc1 58230057 KNAIWNGJVFMRHY-UHFFFAOYSA-N 245.244 2.643 0 40 BFAB Cc1ccc2ncn(CN3CCCCC3)c2c1 59501927 PJOKWKGPTWNTEF-UHFFFAOYSA-N 229.327 2.788 0 40 BFAB C[C@H]1CC(CO)C[C@@H](C)N1Cc1ccccc1 72206926 APHDBYYXZFJYMF-NNQSOWQGSA-N 233.355 2.668 0 40 BFAB Cc1cc(N2CCCCC2)ncc1C1=NCCC1 72219201 UYNWKZXIPGCCTR-UHFFFAOYSA-N 243.354 2.963 0 40 BFAB COC(=O)c1cnc(Oc2ccccc2)c(C)c1 72222110 YLEZYYUJIJIWOL-UHFFFAOYSA-N 243.262 2.969 0 40 BFAB CNCc1ccc(NCc2ccccc2)nc1C 72224423 LUXFZJUCEPFRRB-UHFFFAOYSA-N 241.338 2.722 0 40 BFAB CN(C(=O)NC1CCCCCC1)C1CCC1 73434014 YIAGPDIFYXVXTI-UHFFFAOYSA-N 224.348 2.903 0 40 BFAB O=C(O)[C@H]1CCCn2cc(-c3ccccc3)nc21 75923263 MNKCAGIWXYKYKM-NSHDSACASA-N 242.278 2.512 0 40 BFAB COc1c(C)cc(C2([C@H](C)O)CC2)cc1C 84402508 WWOIRMGDRVFMAT-NSHDSACASA-N 220.312 2.724 0 40 BFAB CC(C)COC[C@@H](C)NC(=O)OC(C)(C)C 84544406 BGDVGNKYIINTTH-SNVBAGLBSA-N 231.336 2.572 0 40 BFAB C[C@@H](CO)CSCc1nc2ccccc2o1 85139020 ULSVZDJLPXLBAX-VIFPVBQESA-N 237.324 2.689 0 40 BFAB CN(Cc1nccs1)OCc1ccccc1 90565531 UHRAFICIOXNGDU-UHFFFAOYSA-N 234.324 2.707 0 40 BFAB c1ccc(-c2nc([C@H]3CCCCCN3)no2)cc1 95348339 LPZDBSZDXBVBTQ-GFCCVEGCSA-N 243.310 2.941 0 40 BFAB in-vitro Cc1cc([C@@H](C)N[C@@H]2CCOC2)cc(C)c1F 95423367 LUBDCCGXARADHC-DGCLKSJQSA-N 237.318 2.882 0 40 BFAB CCCOc1cccc(O)c1C(=O)CC 106679948 NXUVIRFJOYNLOT-UHFFFAOYSA-N 208.257 2.774 0 40 BFAB C[S@@](=O)/C=C\c1ccc(Cl)cc1 203634405 KWIIEDMAHNVLDQ-ZHRWSRJISA-N 200.690 2.689 0 40 BFAB C1CC[C@H](CN2CC[C@@H]3CCCC[C@@H]3C2)NC1 216241950 SMFJJXNFNWYQPN-RRFJBIMHSA-N 236.403 2.641 0 40 BFAB CC[C@H](Cl)C(=O)c1cc(OC)cc(OC)c1 394782814 MNGLKOXKEFAEFC-NSHDSACASA-N 242.702 2.904 0 40 BFAB Cc1cc(C(C)(F)F)ccc1C(=O)O 1857794522 UZPBCDBMOUBHQY-UHFFFAOYSA-N 200.184 2.805 0 40 BFAB CCC(=O)NC(=S)Nc1ccc(C)c(C)c1 503162 WAQIHHLYWRJVAI-UHFFFAOYSA-N 236.340 2.526 0 40 BFAB Nc1c(Cl)ncc(Br)c1Cl 1020106 BJSGVMZUXPSVNX-UHFFFAOYSA-N 241.903 2.733 0 40 BFAB CC(C)c1cc(C(=O)Nc2ccc(F)cc2)n[nH]1 6733183 DMJUFXGJBNCDSI-UHFFFAOYSA-N 247.273 2.925 0 40 BFAB CC(C)NC(=O)CCSCc1ccccc1 7685575 ZQNZYGKGBIWOPD-UHFFFAOYSA-N 237.368 2.835 0 40 BFAB CC(=O)CCc1c(C)c2cc(C)ccc2[nH]c1=O 8763164 LHFMYHGVJLRPSR-UHFFFAOYSA-N 243.306 2.667 0 40 BFAB Cn1ccnc1Sc1ncnc2ccsc12 9319175 QDHCLOAVATVSLA-UHFFFAOYSA-N 248.336 2.576 0 40 BFAB CC(=O)c1ccc(-n2nc(C)cc2C)cc1 19871215 UXDNEPLQPGLYHW-UHFFFAOYSA-N 214.268 2.692 0 40 BFAB CCC(CC)N1CCN(C2CCCC2)CC1 19900026 UAXOKGCBRZFWLU-UHFFFAOYSA-N 224.392 2.735 0 40 BFAB CN(CC[C@H]1CCCCN1)Cc1ccccc1 20180448 BPRVCAZGIWLXRM-OAHLLOKOSA-N 232.371 2.651 0 40 BFAB O=C1C[C@H](c2cccc(Cl)c2)c2c[nH]nc2N1 20723933 YBWGRSCSCIAIJT-SECBINFHSA-N 247.685 2.537 0 40 BFAB CSc1ccccc1NC(=O)c1coc(C)n1 22538399 FFDVTCKQDXPSGL-UHFFFAOYSA-N 248.307 2.957 0 40 BFAB CC[C@H](O)c1ccccc1Br 34623210 SMYHFDLFOKKDOO-VIFPVBQESA-N 215.090 2.893 0 40 BFAB Cc1n[nH]cc1CN[C@@H](C)c1ccccc1F 37996421 JNGGMVVJEPKDPB-JTQLQIEISA-N 233.290 2.708 0 40 BFAB c1ccc2sc(S[C@@H]3CCNC3)nc2c1 51784009 RMPSONBXKRRYFM-MRVPVSSYSA-N 236.365 2.750 0 40 BFAB CC(=O)N1CCCC[C@H]1Cc1ccccc1 60340502 CKOGCDFBDXXBED-AWEZNQCLSA-N 217.312 2.630 0 40 BFAB C[C@H](O)[C@H]1C[C@@H]1c1ccccc1Br 62713977 MRTRCQFYDZXKHK-FXBDTBDDSA-N 241.128 2.933 0 40 BFAB CC(C)CCOc1ccccc1CCO 62721137 UCUXBFCPWRKFQG-UHFFFAOYSA-N 208.301 2.646 0 40 BFAB N=C(NCc1ccccc1)NC[C@@H]1CC=CCC1 66244464 YSIYUTIDGBFGCF-CQSZACIVSA-N 243.354 2.657 0 40 BFAB CCOC(=O)c1cc(C(F)(F)F)[nH]c1C 72207298 XUNCNWALPOVKJF-UHFFFAOYSA-N 221.178 2.519 0 40 BFAB C1=C[C@H](N2CCC[C@@H](c3ccn[nH]3)C2)CCC1 72273380 XNLAIEAWDUVTBS-OLZOCXBDSA-N 231.343 2.698 0 40 BFAB Cc1cc(N2CCC[C@@H]2c2ccccn2)ncn1 72357282 LPSHMPWNCRRLQU-CYBMUJFWSA-N 240.310 2.522 0 40 BFAB CC(=O)c1cc(C=O)cn1Cc1ccccc1 78404352 FQGUTZHIAKOXDH-UHFFFAOYSA-N 227.263 2.552 0 40 BFAB COC(=O)CC[C@H]1CNc2cc(C)ccc2C1 84785817 QGFTZRRVDVULLF-LLVKDONJSA-N 233.311 2.532 0 40 BFAB Cc1cc(CSc2ccncc2)on1 89608723 SSAHGHXQQJLQCX-UHFFFAOYSA-N 206.270 2.670 0 40 BFAB CCCNCc1cccc(C)c1OCC 95094831 VOGBDGZXHDRYEB-UHFFFAOYSA-N 207.317 2.893 0 40 BFAB C[C@H](NC(=O)[C@]1(C)CCCS1)C(C)(C)C 95449659 HFYLYIMLPCZGMG-CABZTGNLSA-N 229.389 2.823 0 40 BFAB Clc1ccccc1-c1nccn1C[C@H]1CO1 96511329 SAYSMGIDENRNFC-VIFPVBQESA-N 234.686 2.602 0 40 BFAB CCCC(=O)N[C@@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 102180525 ZXTNXYYKULGWJB-QCNOEVLYSA-N 209.333 2.727 0 40 BFAB c1ccc(CCN2C[C@H]3CCC[C@H]3C2)cc1 148676284 AIBOGTVZFBNCIG-GASCZTMLSA-N 215.340 2.961 0 40 BFAB CCCc1ccc([C@H](NN)C(F)(F)F)cc1 161802946 GPKRLPVWNGJICS-JTQLQIEISA-N 232.249 2.706 0 40 BFAB N[C@H]1CCCC[C@H]1Nc1ccccc1F 218861393 BUFAVRYHUICCTB-CMPLNLGQSA-N 208.280 2.508 0 40 BFAB CCN(c1cc(C)cc(C)c1)[C@@H](C)C(=O)O 224984373 RABUYFDSRZRMIZ-NSHDSACASA-N 221.300 2.603 0 40 BFAB CC[C@H](C(=O)O)N(C)c1cccc(Cl)c1 224988208 SFIOWECRIFLTRO-SNVBAGLBSA-N 227.691 2.639 0 40 BFAB Nc1cccc(CC(=O)Oc2ccc(F)cc2)c1 225396821 NPENUYCKDNZDPC-UHFFFAOYSA-N 245.253 2.556 0 40 BFAB CC[C@@H]1CN(CC(=O)O)CC[C@H]1c1ccccc1 252536136 HQJYPIKIQDVROW-TZMCWYRMSA-N 247.338 2.587 0 40 BFAB CCOC(=O)[C@H]1C[C@@H]1c1cccc(C)c1C 1857793766 MIVFGRDFDKGOAT-OLZOCXBDSA-N 218.296 2.970 0 40 BFAB CN(C)Cc1csc(-c2ccccc2)n1 23311 YSCWICCOTMTXOL-UHFFFAOYSA-N 218.325 2.872 0 40 BFAB CN(C)c1ccc(C(=S)N2CCCC2)cc1 1471362 JSOUGDGJBAPGFF-UHFFFAOYSA-N 234.368 2.524 0 40 BFAB C[C@@H]1C[C@H]2CC(=O)[C@H]3CCCN4CCC[C@H]2[C@]34C1 4098396 BCZFSDNVXODRAJ-JTTNIQEDSA-N 247.382 2.866 0 40 BFAB in-vitro Cc1ccc(CC(=O)N2CCC(C)CC2)cc1 6478880 WDEAHCVGUOQINY-UHFFFAOYSA-N 231.339 2.796 0 40 BFAB COc1ccccc1Cn1c(C)cc(C=O)c1C 8729189 HSHRDBLLHILUCA-UHFFFAOYSA-N 243.306 2.974 0 40 BFAB CN(C1CCCCC1)C1C[C@@H]2CC[C@H](C1)N2 14629109 XLFOFZOBMGBKMZ-ONXXMXGDSA-N 222.376 2.534 0 40 BFAB NNc1nc2ccc(C(F)(F)F)cc2s1 14985075 UNRICBUVHFHHDI-UHFFFAOYSA-N 233.218 2.601 0 40 BFAB COc1ccc(C(=O)NC2CCCCCC2)cn1 16206434 WWACJYGXLZLLRT-UHFFFAOYSA-N 248.326 2.543 0 40 BFAB Cc1ccc(-c2onc(C)c2C(=O)O)cc1 19682412 HAIMCHXZWFJELA-UHFFFAOYSA-N 217.224 2.657 0 40 BFAB c1ccc(CN2CCC(NCC3CC3)CC2)cc1 19884650 XZYPHSYCKJZEBI-UHFFFAOYSA-N 244.382 2.651 0 40 BFAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N(C)C 20456493 YEELKTSOHWTRIS-GFCCVEGCSA-N 235.327 2.549 0 40 BFAB Cc1nc(Cl)n(-c2ccc(Cl)cc2)n1 22125287 ZAUZULDGULYWDC-UHFFFAOYSA-N 228.082 2.883 0 40 BFAB Nc1nc(Cl)nc2cccc(C(F)(F)F)c12 26899433 GTQVLBGESJYBOV-UHFFFAOYSA-N 247.607 2.884 0 40 BFAB C[C@@H]1CCC[C@@H](NCC(=O)Nc2ccccc2)C1 37255566 SSUSCBWROCZONY-TZMCWYRMSA-N 246.354 2.793 0 40 BFAB Cc1occc1C(=O)N(C)Cc1ccsc1 39981880 UPJIZGGFKGQXEJ-UHFFFAOYSA-N 235.308 2.922 0 40 BFAB CCOc1ccccc1-c1nc(CN)c(C)o1 41258726 CGQCDFDTDUFLJU-UHFFFAOYSA-N 232.283 2.507 0 40 BFAB CCCc1noc(CN2C[C@H](C)C[C@@H](C)C2)n1 42623155 IIGWTZVQRHPJRX-GHMZBOCLSA-N 237.347 2.500 0 40 BFAB CNC[C@H](OC(C)C)c1ccccc1C 50483524 RIBAHLAXVFYGAS-ZDUSSCGKSA-N 207.317 2.681 0 40 BFAB COc1ccc([C@H](N)c2nc(C)cs2)cc1 58432142 NOQPOKVPBCXHKJ-NSHDSACASA-N 234.324 2.508 0 40 BFAB C[C@@H]1C[C@@H](Sc2ccccc2F)C(=O)O1 65613111 BXCWIZOFEGMQNH-GMSGAONNSA-N 226.272 2.622 0 40 BFAB CCOc1ccc(C)cc1CNC(C)C 70954974 RJHWMFCRMMSBDB-UHFFFAOYSA-N 207.317 2.892 0 40 BFAB CC(C)CCC(=O)NCc1cccc(N(C)C)c1 72051773 MVWCEBABSAWBTQ-UHFFFAOYSA-N 248.370 2.805 0 40 BFAB CNc1cc(C)c([C@H]2CCCCN2C(C)=O)cn1 72219075 CTBBEGHOAOJTEL-CYBMUJFWSA-N 247.342 2.505 0 40 BFAB CCCCOc1ccc2ncc(N)cc2c1 72226636 PQWIUCFTIWALFY-UHFFFAOYSA-N 216.284 2.996 0 40 BFAB Cc1cccc([C@H]2CCCN2C(=O)C2CCC2)n1 72357201 JGJIVIFHLPITIM-CQSZACIVSA-N 244.338 2.854 0 40 BFAB CCCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 72679627 XCIKUURMGMXBNJ-JTQLQIEISA-N 246.310 2.550 0 40 BFAB O=C(c1ccccc1)N(CC1CC1)C1CC1 76252026 VHPCGYIQGYYUIB-UHFFFAOYSA-N 215.296 2.701 0 40 BFAB CC(C)c1ccc(N(C)C(=O)CCCN)cc1 77369630 WAYXUSLJAJDDNQ-UHFFFAOYSA-N 234.343 2.512 0 40 BFAB COC(=O)c1occc1-c1ccccc1 83255204 NCUSDJQPBORFOB-UHFFFAOYSA-N 202.209 2.733 0 40 BFAB in-vitro CCC(C)(C)CNC[C@@H]1CCCn2ccnc21 84721049 UJFHQRWCGKZOQZ-LBPRGKRZSA-N 235.375 2.786 0 40 BFAB CCC(CC)CNC(=O)c1ccc2nccn2c1 84727486 FIFVZTGCHRHXHA-UHFFFAOYSA-N 245.326 2.500 0 40 BFAB CCc1ccc2nc(Cl)c(CN)cc2c1 89261997 TUHAJKMHMZANOO-UHFFFAOYSA-N 220.703 2.909 0 40 BFAB CNC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12 89385851 SMZXNEOIMHKSIC-ZIAGYGMSSA-N 225.291 2.689 0 40 BFAB C[C@H]1CC[C@H]1COc1ccc(C=O)cc1 96526411 YAYZWVXAUIEBFM-JQWIXIFHSA-N 204.269 2.924 0 40 BFAB O=C1Nc2ccccc2[C@@H]1Cc1cccc(O)c1 100793516 ASRYUDWOWCSVEL-ZDUSSCGKSA-N 239.274 2.671 0 40 BFAB biogenic C[C@H](CO)N[C@@H]1C[C@H](c2ccccc2)C1(C)C 123001442 BUHSTDYMOSNGSY-MRVWCRGKSA-N 233.355 2.539 0 40 BFAB C[C@H](NN)c1c(Cl)cccc1Cl 161784805 NUGVRIWTZLKNST-YFKPBYRVSA-N 205.088 2.518 0 40 BFAB NN[C@H](c1ccccc1)c1cccc(F)c1F 161801983 BOXUTFLMPATAMW-CYBMUJFWSA-N 234.249 2.518 0 40 BFAB CCCc1ccc(C[C@@H]2C[C@@H]2C(=O)O)cc1 217823995 STLVKYXJZKBASY-OLZOCXBDSA-N 218.296 2.902 0 40 BFAB CCCn1c(C)c(CNC)c2cc(O)ccc21 223758098 YXSMPPVCNDOBFA-UHFFFAOYSA-N 232.327 2.785 0 40 BFAB CCn1cc(C)c(NCCc2ccccc2)n1 256051851 KTCAXRSNQLEUJW-UHFFFAOYSA-N 229.327 2.866 0 40 BFAB CC(C)(O)c1ccc(N)cc1C(F)(F)F 585673018 ZZOGMTFADMICDF-UHFFFAOYSA-N 219.206 2.515 0 40 BFAB COc1ccc2nc(C3CC3)cc(CO)c2c1 685937276 MEBOSQARZICVSW-UHFFFAOYSA-N 229.279 2.613 0 40 BFAB C[C@H]1CCCCN1C(=O)c1ccc(F)cc1 29777 XUICTSGWQFABFN-JTQLQIEISA-N 221.275 2.840 0 40 BFAB CCC(=O)Nc1nc(-c2ccccc2)ns1 387306 VMLKNOFMFOHRJJ-UHFFFAOYSA-N 233.296 2.554 0 40 BFAB COc1ccc(-c2cn3c(n2)CCC3)cc1 493005 WOYRQBRHXBCHHZ-UHFFFAOYSA-N 214.268 2.505 0 40 BFAB CC(C)COC(=O)Nc1ccc(C(=O)O)cc1 494528 JFQDEWHFPOYFJX-UHFFFAOYSA-N 237.255 2.589 0 40 BFAB CC(C)C[C@@H](C)NC(=O)COc1ccccc1 2065854 ZHMVUQYGYFVSON-GFCCVEGCSA-N 235.327 2.616 0 40 BFAB CCCCSc1nnc(S)c2[nH]cnc12 2125240 VNMKMXDHTCWHMC-UHFFFAOYSA-N 240.357 2.534 0 40 BFAB CSc1nc(-c2ccccc2)ns1 2573131 BCKNSBBDDVYPER-UHFFFAOYSA-N 208.311 2.927 0 40 BFAB Nc1cccnc1-c1ccc(Cl)cc1 4244120 CYQQPRJCVMRFPQ-UHFFFAOYSA-N 204.660 2.984 0 40 BFAB CCc1[nH]nc(-c2n[nH]c(CC)c2C)c1C 5479255 LBZJBCPKKGQHOG-UHFFFAOYSA-N 218.304 2.541 0 40 BFAB C/C=C/C=C/[C@@H]1Cc2cc(O)cc(O)c2O1 5566328 WTFIFQXTQCYJKU-WANFKSSISA-N 218.252 2.534 0 40 BFAB c1cnc(NCCc2c[nH]c3ccccc23)nc1 8149104 RTNLWWDTJVZDKV-UHFFFAOYSA-N 238.294 2.613 0 40 BFAB biogenic Cc1ccc2nc(C)c(C(=O)NC(C)C)cc2c1 12858976 NCVHQJJHEREBLW-UHFFFAOYSA-N 242.322 2.990 0 40 BFAB C[C@H](CCCC(C)(C)O)C[C@H]1OC[C@@H](C)O1 16511192 AKZXNDJMPSPJQM-UTUOFQBUSA-N 230.348 2.715 0 40 BFAB CC(C)NC(=O)c1csc(-c2ccccc2)n1 17300973 OFRRORZBMMNFSM-UHFFFAOYSA-N 246.335 2.948 0 40 BFAB CCOc1nnc(Cl)c2ccccc12 21297106 KQLFVZGMRLYYBY-UHFFFAOYSA-N 208.648 2.682 0 40 BFAB in-vitro Cc1cc(C)c(N2CCCCC2)c(N)c1 22121962 BSNDVMKPBZQXMQ-UHFFFAOYSA-N 204.317 2.876 0 40 BFAB C[C@@H](C(=O)Nc1cccc(Cl)c1)n1cccn1 24750659 OUIKTESKKNQKNF-VIFPVBQESA-N 249.701 2.736 0 40 BFAB Cc1ccc(NC(=O)CCc2ccco2)c(O)c1 24882412 QXVHYTKPLIJNPN-UHFFFAOYSA-N 245.278 2.865 0 40 BFAB Cc1ccnc(NC(=O)c2cc(C)oc2C)c1 27647926 FHRWUPDGOYKOGT-UHFFFAOYSA-N 230.267 2.852 0 40 BFAB O=[S@](O)c1ccc(Cl)c(Cl)c1 31778268 FHHQIPYFDOVBIO-UHFFFAOYSA-N 211.069 2.574 0 40 BFAB Clc1ccc(CO[C@H]2CCNC2)cc1Cl 36142138 ZGVATXALPIYMBX-VIFPVBQESA-N 246.137 2.872 0 40 BFAB Cc1ccc(C2OCCO2)c(Br)c1 44229940 CRFJAKZXARLDIW-UHFFFAOYSA-N 243.100 2.803 0 40 BFAB CCOC(=O)c1ccc(C(F)(F)F)cc1OC 47202903 POKSADHUBOYOGB-UHFFFAOYSA-N 248.200 2.891 0 40 BFAB CCOC(=O)C(F)(F)c1ccc(F)c(C)c1 52232651 QRLAGOARMBNCSW-UHFFFAOYSA-N 232.201 2.789 0 40 BFAB C[C@H](O)Cc1cc(F)ccc1Br 53784405 IYHLRAUXPBWMSR-LURJTMIESA-N 233.080 2.512 0 40 BFAB in-vitro CCN(CC)c1c(Cl)cc(N)cc1OC 57367213 KWILJTJEIQZCIZ-UHFFFAOYSA-N 228.723 2.777 0 40 BFAB CCCC[C@@H](CC)C[C@H](S)C(=O)O 59584401 MQKUWGMWXVSSDB-BDAKNGLRSA-N 204.335 2.976 0 40 BFAB N[C@@H]1CCCc2sc(Br)cc21 60233930 ZAQSQDFPUXJWTR-ZCFIWIBFSA-N 232.146 2.847 0 40 BFAB CCOCC(=O)N[C@H](C)c1ccc(Cl)s1 70252452 FAYFSQRHGOJFDQ-SSDOTTSWSA-N 247.747 2.615 0 40 BFAB N[C@H]1C[C@@H]1c1ccc(-c2ccc(F)cc2)o1 70453094 MQJNXLOWTVHZCF-QWRGUYRKSA-N 217.243 2.900 0 40 BFAB CCO[C@@H](c1ccccc1)[C@@H]1CCCNC1 72207903 NWNJMTGZDCTVCD-KGLIPLIRSA-N 219.328 2.764 0 40 BFAB CCCNc1ccc([C@@H]2CCCN2C)cn1 72213179 ANRZTGYRVNMBNP-LBPRGKRZSA-N 219.332 2.670 0 40 BFAB CCN1CCC[C@@H]1c1cnc(OC)cc1C 72218007 ABFPSNKUMMSLSW-GFCCVEGCSA-N 220.316 2.555 0 40 BFAB Cc1c[nH]nc1[C@H]1CCN(C2CCCCC2)C1 72381186 ZAGPQDQNUXCXGA-LBPRGKRZSA-N 233.359 2.840 0 40 BFAB O=Cc1coc(-c2ccccc2Cl)n1 90669477 GGDDNEONBCHBCF-UHFFFAOYSA-N 207.616 2.808 0 40 BFAB C[C@@H](C(=O)NCc1ccncc1)c1ccccc1 96026208 YGUDYTLAAIGCNV-GFCCVEGCSA-N 240.306 2.502 0 40 BFAB C[C@H](NC(=O)c1ccco1)[C@@H]1C[C@@H]2CC[C@@H]1C2 101716960 TWAOWPQGQVRSDB-QCNOEVLYSA-N 233.311 2.834 0 40 BFAB C1CC2(C1)[C@H](N[C@@H]1C[C@H]3CC[C@H]1C3)[C@H]1CCO[C@H]12 108165567 PBFVGRSSDIOAFR-BBZRCZKMSA-N 247.382 2.722 0 40 BFAB NN[C@H](c1ccccc1)c1cccc(Cl)c1 161780959 NMSRYJPOVUGNSC-CYBMUJFWSA-N 232.714 2.893 0 40 BFAB NN[C@H](c1cccc(F)c1)c1ccccc1F 161793442 UJPSZVUYKDPVSE-CYBMUJFWSA-N 234.249 2.518 0 40 BFAB CCCCC(=O)c1ccc(N2CCOCC2)cc1 203333192 WYXJJSTYZDBOTG-UHFFFAOYSA-N 247.338 2.896 0 40 BFAB Cc1ccc([C@@H](O)c2cccc(N)c2)c(C)c1 226291591 TZBYKQCPKAZKRT-HNNXBMFYSA-N 227.307 2.967 0 40 BFAB CN(Cc1ccncc1)C[C@H]1C[C@H]2C=C[C@H]1C2 230307185 LXCWWATXIHYESU-SOUVJXGZSA-N 228.339 2.726 0 40 BFAB Cc1nn(C)cc1NCc1ccc(F)s1 256052625 OBUZJEAZVOHHSO-UHFFFAOYSA-N 225.292 2.541 0 40 BFAB CC[C@@H](C)OCc1ccn(CC(C)C)n1 408715150 CDOUZNWHUCONCE-LLVKDONJSA-N 210.321 2.854 0 40 BFAB CC(C)[C@@H](O)CN[C@@H](c1ccccn1)C1CCC1 528663346 YOASFLUSSDGBKM-LSDHHAIUSA-N 248.370 2.529 0 40 BFAB NNc1nc2c(Cl)cc(Cl)cc2s1 2455664 PSWGGTWZGYTYGO-UHFFFAOYSA-N 234.111 2.889 0 40 BFAB Cc1ccc([C@@H](CO)N2CCCCC2)cc1 3636313 SQPDEISARUKWLQ-CQSZACIVSA-N 219.328 2.514 0 40 BFAB C[C@H]1CC(=O)CC[C@@H]1OCc1ccccc1 5810166 VSVQOQRPJLWUPY-FZMZJTMJSA-N 218.296 2.961 0 40 BFAB Cc1nc2c(=O)[nH]c3ccc(Cl)cc3c2o1 8665742 GDGJGZYQFLSNFO-UHFFFAOYSA-N 234.642 2.631 0 40 BFAB Nc1ccccc1/C=C(/C(=O)O)c1ccccc1 12410361 XCTOVUZGSGGMPY-JLHYYAGUSA-N 239.274 2.894 0 40 BFAB CC[C@H](C)NC(=O)c1cn(C)c2ccccc12 12545120 KWKJHZWFYPVFNI-JTQLQIEISA-N 230.311 2.707 0 40 BFAB CCCCNC(=O)[C@H](C)Oc1cc(C)ccc1C 13710633 OUCYQJKYDLOROJ-ZDUSSCGKSA-N 249.354 2.987 0 40 BFAB Clc1cccc(CO[C@@H]2CCCNC2)c1 14631589 WTCCWMVCGZBJMQ-GFCCVEGCSA-N 225.719 2.609 0 40 BFAB in-vitro CC(C)c1ccc(O[C@@H]2CCCNC2)cc1 14631755 DYLBQZLBKYGVOJ-CQSZACIVSA-N 219.328 2.941 0 40 BFAB O=Cc1cc(Br)c2ccccc2n1 14982311 FTHWHVHXMHZMLW-UHFFFAOYSA-N 236.068 2.810 0 40 BFAB CCCC[C@@H](CC)C(=O)N1C[C@H](C)O[C@@H](C)C1 16972617 MVHPIEABOOAVTC-RWMBFGLXSA-N 241.375 2.839 0 40 BFAB Nc1nc2c(ncn2C2CCCCC2)c(=S)[nH]1 17314824 PKVXHQDYPCXSAD-UHFFFAOYSA-N 249.343 2.576 0 40 BFAB COC[C@@H](C)N[C@@H](C)c1ccccc1F 19904646 QKXUCCHOOKZQJT-ZJUUUORDSA-N 211.280 2.511 0 40 BFAB CCOc1ccc([C@H](C)NCCCOC)cc1 20142523 BQULLDDEZMWFSQ-LBPRGKRZSA-N 237.343 2.772 0 40 BFAB Clc1ccc(NCCc2ccccc2)nn1 21303412 KXXMWXCJRYLWMZ-UHFFFAOYSA-N 233.702 2.785 0 40 BFAB CSCC(=O)N1CCC[C@H]2CCCC[C@H]21 32819593 LNNPJHCRDUFQKP-GHMZBOCLSA-N 227.373 2.531 0 40 BFAB O=C(O)c1ccc(Oc2ccc(F)cc2)o1 34620270 NYNALZGHLPEMTF-UHFFFAOYSA-N 222.171 2.909 0 40 BFAB Cc1ccc(Cc2nc(C(=O)O)cs2)cc1 36220684 MNBRGXGIHYPDDI-UHFFFAOYSA-N 233.292 2.741 0 40 BFAB in-vitro COCc1ccccc1CNC(=O)C1CCCC1 36393987 ZUDKXOQJHLNNTD-UHFFFAOYSA-N 247.338 2.639 0 40 BFAB CC(C)(C)c1c[nH]c([C@H]2CCCCN2)n1 36876664 ZAZFBZUBIYGKPW-SECBINFHSA-N 207.321 2.522 0 40 BFAB COc1ccc(F)cc1[C@@H](O)c1cccs1 40258444 TUOILQSZBFORMR-GFCCVEGCSA-N 238.283 2.978 0 40 BFAB CC(C)n1c(CO)nc2cc(Cl)ccc21 40417347 SFWPZACZJFDVTG-UHFFFAOYSA-N 224.691 2.763 0 40 BFAB c1ccc(C[n+]2ccc3ncccc3c2)cc1 40539557 SQJVHVCYDMQJLO-UHFFFAOYSA-N 221.283 2.571 0 40 BFAB CC(C)c1ccccc1OC[C@@H]1CCNC1 42772467 ZRHJKMFJHLJNNB-GFCCVEGCSA-N 219.328 2.798 0 40 BFAB CCc1cc(O[C@@H]2CCNC2)ccc1Cl 42775829 LESYZGPPVZBOOY-LLVKDONJSA-N 225.719 2.643 0 40 BFAB COc1c(C(=O)O)cc(Cl)c(C)c1C 57339793 IGVNQKKZWAFWFG-UHFFFAOYSA-N 214.648 2.664 0 40 BFAB COC(=O)CCc1c(OC)ccc2ccccc12 62170177 SANDKJKOBWKMOT-UHFFFAOYSA-N 244.290 2.954 0 40 BFAB CCN(CC)C(=O)c1c[nH]nc1-c1ccccc1 69416118 WRYYSUHJPASHNP-UHFFFAOYSA-N 243.310 2.559 0 40 BFAB C[C@@H]1CCCCCN1C(=O)c1cccc(N)c1 70407717 LVQHWDNJBMOXJK-LLVKDONJSA-N 232.327 2.674 0 40 BFAB CCc1ccc([C@@H](C)N[C@H]2CCOC2)cc1 70966039 RISKLTGOBDZYBK-RISCZKNCSA-N 219.328 2.689 0 40 BFAB CC(C)CCN1CCN([C@H]2C=CCCC2)CC1 71904848 IDSWMWGVWNYRSR-HNNXBMFYSA-N 236.403 2.759 0 40 BFAB CCCNc1ncccc1[C@@H]1CCCN1C(C)=O 72213127 ASOMKKHPUVYRHI-ZDUSSCGKSA-N 247.342 2.587 0 40 BFAB Cc1cc(Br)nn1C(C)C 72339540 ABBVFXPIASJIAN-UHFFFAOYSA-N 203.083 2.535 0 40 BFAB Cc1ccnc([C@@H]2CCCN(C3CCCC3)C2)n1 72356814 JURBWIGVOWZBMT-CYBMUJFWSA-N 245.370 2.907 0 40 BFAB CCOC(=O)C(=O)c1c(Cl)cccc1Cl 75865370 HJTGZLBXNUPSHW-UHFFFAOYSA-N 247.077 2.739 0 40 BFAB C[C@H](N)c1nc(-c2ccc(C(C)(C)C)cc2)n[nH]1 82510277 OSGKVOMRMNTDFJ-VIFPVBQESA-N 244.342 2.789 0 40 BFAB CCc1nc2c(F)cccc2c(C(=O)O)c1C 85367419 OIHRGGBPKFSCKC-UHFFFAOYSA-N 233.242 2.943 0 40 BFAB CCCCOc1cc(F)c(O)c(F)c1 91251973 NZXOEPFBEOGOTJ-UHFFFAOYSA-N 202.200 2.849 0 40 BFAB Cc1ncsc1C(=O)OCc1ccsc1 96442670 ROUHNORYKKQJGN-UHFFFAOYSA-N 239.321 2.870 0 40 BFAB CCS[C@@H]1CCCC[C@@H]1NCc1ncc[nH]1 96455617 MPBOTMUOOJYSAU-WDEREUQCSA-N 239.388 2.564 0 40 BFAB C=COCCOC(=O)c1ccnc2ccccc12 97113119 IXQSDYTUJHNMQJ-UHFFFAOYSA-N 243.262 2.552 0 40 BFAB NCc1cccc(C(F)(F)C(F)(F)F)c1 107281731 RSYOCKSPVPALOY-UHFFFAOYSA-N 225.160 2.799 0 40 BFAB CN1CCC[C@@H](Cc2ccnc(Cl)c2)C1 205698520 NXWVIWWLDVFSCM-NSHDSACASA-N 224.735 2.619 0 40 BFAB CN(CCCC(=O)O)c1ccccc1Cl 224987471 PKOZBWLQRXNJMO-UHFFFAOYSA-N 227.691 2.641 0 40 BFAB CCCCn1c(CO)ccc1CC(C)C 226023002 GYSZJMULLUBQLP-UHFFFAOYSA-N 209.333 2.979 0 40 BFAB CCCn1c(CO)ccc1CCC(C)C 226024644 WSTZDPFRNHVBQX-UHFFFAOYSA-N 209.333 2.979 0 40 BFAB CC(C)C[C@H](CO)N[C@H]1CCC[C@@H](C)C1 226805092 ZPRLWIPTHYOSSQ-FRRDWIJNSA-N 213.365 2.562 0 40 BFAB O=C(NC[C@H]1C[C@H]2CC[C@H]1C2)c1cccs1 245225399 UMDFYPUNCLCKTA-GARJFASQSA-N 235.352 2.914 0 40 BFAB c1ccc(N2CCNc3ccccc32)nc1 309266568 RFTRKAATUBXKAL-UHFFFAOYSA-N 211.268 2.645 0 40 BFAB O=C(O)C(F)(F)c1csc(Cl)c1 1536114675 UQGCSWQASUUDIT-UHFFFAOYSA-N 212.604 2.578 0 40 BFAB CN(C)C(=O)c1csc2ccsc12 1776011057 VDWHITZIFRMENS-UHFFFAOYSA-N 211.311 2.665 0 40 BFAB CN(Cc1ccccc1)C[C@@H]1C(=O)[C@H]2CC[C@@H]1C2 1319183 BWUZBNNHJQRYEW-ILXRZTDVSA-N 243.350 2.734 0 40 BFAB CCCCC(=O)OCCc1ccccc1 1597133 PDGPIBIURNPBSE-UHFFFAOYSA-N 206.285 2.963 0 40 BFAB endogenous,in-man CC(=O)Nc1ccc([C@@H](O)c2ccccc2)cc1 1715153 RURCXGTZFRIOIO-HNNXBMFYSA-N 241.290 2.727 0 40 BFAB O=C(O)c1cc(F)c(F)c(C(F)(F)F)c1F 2585503 SUUYTEUAWNNSEE-UHFFFAOYSA-N 244.090 2.821 0 40 BFAB Nc1c(Cl)cc(C(=O)O)cc1C(F)(F)F 8376393 LZLSLGVFHCTZAH-UHFFFAOYSA-N 239.580 2.639 0 40 BFAB in-vitro CCC(C)(C)C(=O)Nc1ccc(N)cc1C 8703472 AVJXMTFXHUYQPF-UHFFFAOYSA-N 220.316 2.952 0 40 BFAB COc1cc(N)ccc1NC(=O)CC(C)(C)C 8703541 HJCGAAWOIXLLID-UHFFFAOYSA-N 236.315 2.652 0 40 BFAB Cc1cccc(NC(=S)N(C)C)c1C 13659028 QCVVHTZKUVAIDK-UHFFFAOYSA-N 208.330 2.562 0 40 BFAB COCCCNCc1ccc(C(C)C)cc1 13718284 BFZAFYFFGLGAAP-UHFFFAOYSA-N 221.344 2.936 0 40 BFAB CCNC(=S)Nc1cccc(CC)c1 13789192 BMQPMTHGGBSUFQ-UHFFFAOYSA-N 208.330 2.555 0 40 BFAB CCOC(=O)c1oc(-c2ccccc2)nc1C 14988999 WDUXWFHGMSDULL-UHFFFAOYSA-N 231.251 2.827 0 40 BFAB in-vitro Cc1ccc(C(=O)Nc2cccnc2)cc1F 16499597 FXFRNONWLBFCKP-UHFFFAOYSA-N 230.242 2.781 0 40 BFAB CCC[C@@H](C)C(=O)Nc1ccc(N)cc1F 20157261 WSDYULRQZPDFDD-MRVPVSSYSA-N 224.279 2.783 0 40 BFAB Cc1c(N)cccc1C(=O)N[C@@H]1CCCC[C@H]1C 22162995 FPQBTQGTUGVXQU-QMTHXVAHSA-N 246.354 2.886 0 40 BFAB CSc1nc(N)cc(Nc2ccccc2)n1 25491997 LOTSVUCYOJGWKX-UHFFFAOYSA-N 232.312 2.524 0 40 BFAB Nc1ncccc1OCC1CCCCC1 26513734 GSQLAKVHHSYJHS-UHFFFAOYSA-N 206.289 2.623 0 40 BFAB in-vitro CNc1nc(C(F)(F)F)nc2ccccc12 32544617 IPHDZBOXSCMXAC-UHFFFAOYSA-N 227.189 2.690 0 40 BFAB C[C@H](N(C)C(=O)c1ccncc1)C(C)(C)C 32788109 OTUMZZSIVCYZQD-JTQLQIEISA-N 220.316 2.588 0 40 BFAB Cc1cc(C)c(-c2cc(C(=O)O)no2)c(C)c1 36162389 LQKQVKSHZOZTPZ-UHFFFAOYSA-N 231.251 2.965 0 40 BFAB C=CC(=O)N(CC1CCCCC1)C1CC1 37832634 GYJBQUDHSBBXIW-UHFFFAOYSA-N 207.317 2.744 0 40 BFAB COc1c(C(=O)O)ccc(Cl)c1Cl 39423668 VSFXUMIYSSTHSQ-UHFFFAOYSA-N 221.039 2.700 0 40 BFAB in-vitro O=C(NC1(c2ccc(F)cc2)CC1)c1ccc[nH]1 41570657 IACRFEJGOYZIJO-UHFFFAOYSA-N 244.269 2.573 0 40 BFAB NCCc1cc(Cl)ccc1C(F)(F)F 44248945 ATWFXCXDGSGGDZ-UHFFFAOYSA-N 223.625 2.860 0 40 BFAB Cc1nn(-c2ccccc2)c(N)c1C(F)(F)F 47843901 CSVIXJGTGACZFH-UHFFFAOYSA-N 241.216 2.782 0 40 BFAB in-vitro CCc1nc(CN(CC)[C@H](C)COC)cs1 52219702 QKHPEROYBHPKAU-SNVBAGLBSA-N 242.388 2.562 0 40 BFAB CCc1cccc2c(OCC(=O)O)cc(C)nc12 64874808 JMBJRSHQPRZVGU-UHFFFAOYSA-N 245.278 2.569 0 40 BFAB CC(C)(C(=O)O)c1cccc(C(=O)C2CC2)c1 65739545 FQCBEGCSNZWLKF-UHFFFAOYSA-N 232.279 2.642 0 40 BFAB in-vitro C[C@H](NC(=O)N1Cc2ccccc2C1)C1CC1 69700345 XHRBNELRKWTNTG-JTQLQIEISA-N 230.311 2.510 0 40 BFAB CCC[C@@H]1CCCC[C@H]1NC(=O)NCC 71796300 JGIMTQYGTUYZSK-GHMZBOCLSA-N 212.337 2.664 0 40 BFAB COc1ccc([C@H]2CCCN2C(C)C)c(C)n1 72218076 XMOMAAZJAIUDBG-CYBMUJFWSA-N 234.343 2.944 0 40 BFAB Cc1ccc2oc(C3=CCN(C)CC3)nc2c1 73635984 WFLRJADCCZSOGS-UHFFFAOYSA-N 228.295 2.855 0 40 BFAB C[C@H](NC(=O)N(C)[C@H](C)C1CC1)c1ccccn1 79213017 HBTQPSFSJDWGOJ-WDEREUQCSA-N 247.342 2.583 0 40 BFAB CNC(=O)N1C[C@@H](C)C[C@H]1c1cccc(F)c1 80597772 MPHUUXHBJIPKKJ-CABZTGNLSA-N 236.290 2.548 0 40 BFAB CCCCCOC(=O)C[C@@H](CN)CC(C)C 83862726 YLFUMQNIYZFUFG-LBPRGKRZSA-N 229.364 2.731 0 40 BFAB COc1ccc(C(=O)O)cc1-c1cscn1 85390086 GTQUDFZGERNZKF-UHFFFAOYSA-N 235.264 2.517 0 40 BFAB CS[C@H]1CCC[C@H]1NC1CCSCC1 95423379 RCWFZMHQUJWMAI-MNOVXSKESA-N 231.430 2.756 0 40 BFAB COCC(=O)N(CC(C)(C)C)CC(C)(C)C 95984558 WSMJBKSANLKGQB-UHFFFAOYSA-N 229.364 2.554 0 40 BFAB C[C@@H]1CC[C@@H]1COc1ccccc1C=O 96526390 XTLPYPWTMDXPOR-ZYHUDNBSSA-N 204.269 2.924 0 40 BFAB FC(F)(F)c1cccc([C@@]23CNC[C@H]2C3)c1 100009003 QNUMSACSERBQDH-GHMZBOCLSA-N 227.229 2.566 0 40 BFAB Clc1ccc2c(c1)NCC21CCOCC1 107253492 GGTLOHKDLOTJHQ-UHFFFAOYSA-N 223.703 2.814 0 40 BFAB Cc1ccc2c(c1)[C@](O)(C(F)(F)F)CC2 134181477 DQPFBGOHMVHTCD-JTQLQIEISA-N 216.202 2.691 0 40 BFAB CC[C@@H](C(=O)O)N(C)c1cccc(Cl)c1C 224991201 JICGAPPTTDZCDD-JTQLQIEISA-N 241.718 2.948 0 40 BFAB CC[C@H]1Cc2[nH]ccc2[C@H](C(C)C)N1C 260825812 FJMCVKFCWPJSRX-GWCFXTLKSA-N 206.333 2.978 0 40 BFAB CC(C)[C@@H](C)[C@@H](C(=O)O)C1(O)CCCCC1 1593059 XVDPCTZQBOQBKK-MNOVXSKESA-N 228.332 2.675 0 40 BFAB COc1ccc2c(c1)Cc1ccccc1C2=O 1746944 ATIKBGZXCQYYDA-UHFFFAOYSA-N 224.259 2.830 0 40 BFAB CCOc1ccc(C(=O)c2ccccn2)cc1 3623667 PNYIMMUCLUTXQE-UHFFFAOYSA-N 227.263 2.711 0 40 BFAB C[C@H]1C[C@](CCN)(c2ccccc2)[C@H](C)CN1C 4031406 XTILSTQWLFVMKB-YCPHGPKFSA-N 246.398 2.633 0 40 BFAB O=Cc1ccc(N2CCCCC2)cc1F 4245515 FWOVDUNJKQSSNE-UHFFFAOYSA-N 207.248 2.629 0 40 BFAB Cc1ccc(C)c(-c2csc(NN)n2)c1 4294024 SZTRSEAMWPVKMN-UHFFFAOYSA-N 219.313 2.713 0 40 BFAB NNc1ccc(/C=C/c2ccccn2)cc1 4521566 KHSJFINRSYIWRR-QPJJXVBHSA-N 211.268 2.538 0 40 BFAB Nc1ccc(C(=O)c2ccc(Cl)c(N)c2)cc1 4543627 IQZYQNCVXHMSQX-UHFFFAOYSA-N 246.697 2.735 0 40 BFAB CN(C)Cc1c(-c2ccccc2)nn(C)c1Cl 5753393 YMRUDSVLIVANEV-UHFFFAOYSA-N 249.745 2.802 0 40 BFAB O=C1c2ccccc2C2=Cc3ccccc3[C@@H](O)N12 5759454 SNSPLORRRRLTSN-OAHLLOKOSA-N 249.269 2.645 0 40 BFAB Cc1c(N)cccc1NC(=O)CC(C)(C)C 8703442 GAGYVKYCYVGLCQ-UHFFFAOYSA-N 220.316 2.952 0 40 BFAB CNC(=O)CCc1ccc(-c2ccccc2)o1 9256749 VBEZCQRTOBVDAN-UHFFFAOYSA-N 229.279 2.625 0 40 BFAB CCC[C@@]12CCC(=O)N1Cc1ccccc1N2 9937087 BTVZSNQKHONKTQ-AWEZNQCLSA-N 230.311 2.731 0 40 BFAB CCCc1c(C)[nH]n(-c2ccc(F)cc2)c1=O 9937339 KEYJYHBWKBGEFW-UHFFFAOYSA-N 234.274 2.566 0 40 BFAB Cc1ccccc1OCC[C@H]1CCCCN1 20221482 GASKQDUUIXJMOK-CYBMUJFWSA-N 219.328 2.906 0 40 BFAB CCCOc1ccc(-c2n[nH]cc2C=O)cc1 20439622 UKCULADUQKIHGL-UHFFFAOYSA-N 230.267 2.678 0 40 BFAB OC1CCC(Nc2nc3ccccc3o2)CC1 25249602 BQSNDWWCACSSGZ-UHFFFAOYSA-N 232.283 2.543 0 40 BFAB CC[C@]1(c2cccc(OC)c2)CCCN1 33414716 QVMWXRFZJTVMSE-CYBMUJFWSA-N 205.301 2.684 0 40 BFAB in-vitro FC1(F)OC(Cl)=C(Cl)OC1(F)F 34407278 FFMLEHRFVXXZHG-UHFFFAOYSA-N 226.940 2.823 0 40 BFAB Cc1nc(Cl)c2cc(F)c(F)cc2n1 38534268 MKFBKSMJOVROCD-UHFFFAOYSA-N 214.602 2.870 0 40 BFAB O=C1CCCOc2cc3c(cc21)CCCC3 42417462 LEJNFCIXJPWKIU-UHFFFAOYSA-N 216.280 2.921 0 40 BFAB in-vitro Cc1ccccc1C(=O)C[C@H](C)CC(=O)O 43214216 CWCXAHALCGEMCW-VIFPVBQESA-N 220.268 2.679 0 40 BFAB CC1(C)C[C@@H]1Nc1ncnc2ccccc12 44368012 OASODAIKSREMMR-NSHDSACASA-N 213.284 2.840 0 40 BFAB Cc1cc([C@H](C)NC(=O)NC2CC2)c(C)s1 46063052 OTIXOJBYRFAGBJ-QMMMGPOBSA-N 238.356 2.888 0 40 BFAB O=C(CC(C1CC1)C1CC1)Nc1ncccc1O 49168333 MNHFGSNMENKJLG-UHFFFAOYSA-N 246.310 2.552 0 40 BFAB CCC(=O)N1CCC[C@H]1Cc1ccccc1 55529820 AWLUPQBTHTZBBP-ZDUSSCGKSA-N 217.312 2.630 0 40 BFAB Nc1ccc(C2CC2)cc1Br 60019252 QMFXMOZZSZWUTD-UHFFFAOYSA-N 212.090 2.909 0 40 BFAB CCCNC(=O)CCCc1ccc(OC)cc1 61342237 NKZJJUQNYFQJGA-UHFFFAOYSA-N 235.327 2.544 0 40 BFAB CNC[C@H](OC)c1ccc2ccccc2c1 62711505 YSNLUVJGCBRQGJ-AWEZNQCLSA-N 215.296 2.747 0 40 BFAB COc1ccccc1[C@@H]1CC[C@H](C)CN1 70632596 ZUBBWBJBJRJFEF-JQWIXIFHSA-N 205.301 2.756 0 40 BFAB in-vitro CCCO[C@H](C)c1ccc(CCN)cc1 72220196 WIJSABZYARWAQN-LLVKDONJSA-N 207.317 2.675 0 40 BFAB CNCc1cnc(Oc2ccccc2)cc1C 72223167 PHEIUGNJCGAFFO-UHFFFAOYSA-N 228.295 2.902 0 40 BFAB CCCn1cc(CNc2ncccc2C)cn1 72226608 DUSBYNAVZCHCFC-UHFFFAOYSA-N 230.315 2.609 0 40 BFAB COC(=O)c1n[nH]c2cc(Cl)c(Cl)cc12 82048614 UGGKDWFFFAWYKS-UHFFFAOYSA-N 245.065 2.656 0 40 BFAB C[C@H](N)c1cc(F)ccc1Br 83591877 CQRICPAZGLNNEM-YFKPBYRVSA-N 218.069 2.608 0 40 BFAB Cc1ccc(C2(C(=O)O)CC=CC2)cc1 83740457 ZQYQMJIJLSAYFG-UHFFFAOYSA-N 202.253 2.667 0 40 BFAB O=C(O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1 84079836 JIBWGTQTPFSTFR-LLVKDONJSA-N 248.326 2.578 0 40 BFAB in-vitro Cc1nc(-c2cccc(NC(N)=S)c2)cs1 85389786 SODFLFCFOOEBNA-UHFFFAOYSA-N 249.364 2.774 0 40 BFAB CO[C@H]1CCCC[C@H]1CCNCC(C)C 85396094 GYEVVIUNKGVKDY-STQMWFEESA-N 213.365 2.827 0 40 BFAB Cc1n[nH]c2cc(Cl)nc(Cl)c12 89220081 OEDSJFVMMHLPBB-UHFFFAOYSA-N 202.044 2.573 0 40 BFAB CCCn1nc(N)c2cc3ccccc3nc21 89261504 QTJGREJWPSJUFQ-UHFFFAOYSA-N 226.283 2.577 0 40 BFAB O=C(c1cccs1)N1C[C@H]2CC=CC[C@H]2C1 89799902 FDGUUEWNXDFVOP-PHIMTYICSA-N 233.336 2.786 0 40 BFAB c1csc(-c2noc(C[C@@H]3CCCO3)n2)c1 89800075 WTBQNBIEUWIYFF-QMMMGPOBSA-N 236.296 2.520 0 40 BFAB CCCC(=O)N(C)c1cccc2ncccc12 89844208 LBPTUKOXJKIDMG-UHFFFAOYSA-N 228.295 2.998 0 40 BFAB CCC[C@](C)(O)c1cc(F)ccc1OC 95739304 QTHSZWNPCKOTIO-LBPRGKRZSA-N 212.264 2.842 0 40 BFAB Cc1cc(NCc2csc(C3CC3)n2)no1 95990331 ASWIICGHYXSBBH-UHFFFAOYSA-N 235.312 2.929 0 40 BFAB CC(C)c1noc(NC(=O)CC2CCCC2)n1 96411648 DZYRMEYBTNIVGI-UHFFFAOYSA-N 237.303 2.712 0 40 BFAB Cc1nc(CCN[C@@H]2C[C@H]3CC[C@H]2C3)cs1 108158478 UMNRAPCEEAKOSX-GMXVVIOVSA-N 236.384 2.772 0 40 BFAB CC[C@@H](C)C(=O)c1ccccc1OC(C)=O 143553770 PUWKKNGOQAJEFJ-SECBINFHSA-N 220.268 2.841 0 40 BFAB c1ccc2ncc(OCc3ccon3)cc2c1 187899489 JYBSMKUHIWXVAP-UHFFFAOYSA-N 226.235 2.802 0 40 BFAB COC(C)(C)C(=O)N(C)[C@H](C)c1ccccc1 190604100 WPPYCMXAGNHNLN-LLVKDONJSA-N 235.327 2.631 0 40 BFAB C[C@H](O)CC[C@@H]1CCCN1C(=O)OC(C)(C)C 252495656 OVDNBDMLFKXZLE-QWRGUYRKSA-N 243.347 2.547 0 40 BFAB CCn1cc(C)c(NCc2cccs2)n1 256050623 FVGKVGNERJZRQN-UHFFFAOYSA-N 221.329 2.885 0 40 BFAB CC(C)NC(=O)Nc1cc(Cl)nc(Cl)c1 163074 AQXCXRGGBRZGLH-UHFFFAOYSA-N 248.113 2.918 0 40 BFAB O=C(O)[C@H](c1ccccc1)[C@H](O)C1CCCCC1 1733997 FELKSHAELBQVRN-ZIAGYGMSSA-N 248.322 2.796 0 40 BFAB OC1(c2ccc3cc[nH]c3c2)CCSCC1 2526984 LANWSSGKMIOYLV-UHFFFAOYSA-N 233.336 2.883 0 40 BFAB CCOC(=O)c1oc2ccc(OC)cc2c1C 3165874 DAETWRKPSJXAJB-UHFFFAOYSA-N 234.251 2.927 0 40 BFAB Cc1cc(/C=C/c2ccccc2N)c(N)cc1N 3845209 HXMNKJIBYIZHJO-VOTSOKGWSA-N 239.322 2.912 0 40 BFAB S=c1nc(NC2CC2)c2ccccc2[nH]1 4219145 NXCFCEPTDNAAQT-UHFFFAOYSA-N 217.297 2.867 0 40 BFAB CCC[C@@H]1O[C@@H](CCOC)OC[C@H]1CC 4727122 IRUGBMFSJMQEGN-WOPDTQHZSA-N 216.321 2.591 0 40 BFAB COc1ccc(/C(=C/C(=O)O)C2CC2)cc1 11628547 UUIROICSQXVPRU-XYOKQWHBSA-N 218.252 2.573 0 40 BFAB CC(C)=C[C@@H]1[C@@H](C(=O)NC2CC2)C1(C)C 12905689 PADZZLZDZKMHPI-MNOVXSKESA-N 207.317 2.503 0 40 BFAB Cc1ccc(SCC(=O)N2CCC2)cc1C 12975686 TZWNYDFNMZVQML-UHFFFAOYSA-N 235.352 2.628 0 40 BFAB S=C1Cc2cc(Br)ccc2N1 21990043 LYQRCKUBUCCOIE-UHFFFAOYSA-N 228.114 2.745 0 40 BFAB COc1ccc(C(=O)Cc2ccncc2)cc1 26423752 FQOSOMYMMDPZAA-UHFFFAOYSA-N 227.263 2.516 0 40 BFAB Cc1ccc(C)c(C(=O)Nc2ccccn2)c1 27653449 HGGHQLCIEYDLNZ-UHFFFAOYSA-N 226.279 2.951 0 40 BFAB O=C(/C=C/c1ccncc1)NC1CCCCC1 29107269 AYXQPVVPMAMUBJ-VOTSOKGWSA-N 230.311 2.544 0 40 BFAB CCONC(=O)c1occc1-c1ccccc1 30891651 URWYGZKARNWHSP-UHFFFAOYSA-N 231.251 2.628 0 40 BFAB Cc1cc(C(=O)N2CCC[C@@H]3CCCC[C@H]32)on1 36398252 MPWXEORNXXWOME-NWDGAFQWSA-N 248.326 2.778 0 40 BFAB Cc1cc(=O)c2cc(Cl)cc(F)c2[nH]1 37507577 IJSDCGCWEYFLNH-UHFFFAOYSA-N 211.623 2.629 0 40 BFAB Cn1cnc(-c2ccc(Br)cc2)c1 40435054 WZXAMFSRWIZVLK-UHFFFAOYSA-N 237.100 2.850 0 40 BFAB CC(C)CO[C@H](C)C(=O)N[C@H](C)c1ccccc1 40521102 HTAKQRWIYDYUKA-CHWSQXEVSA-N 249.354 2.925 0 40 BFAB CC[C@@H](C(=O)NCC(F)(F)F)c1ccccc1 57160068 MVTZUZYGAOEKQG-SNVBAGLBSA-N 245.244 2.859 0 40 BFAB COC(=O)C(C)(C)Oc1ccc(Cl)c(C)c1 57534068 WULVEBRMGNJSCR-UHFFFAOYSA-N 242.702 2.979 0 40 BFAB O=C(CCNc1ccccc1)N1CCCCC1 58264941 DUNZZUBRXDLOJL-UHFFFAOYSA-N 232.327 2.501 0 40 BFAB O=C(CCc1ccc(F)cc1)N1CCCCC1 60866151 CULFTKHCUPMYIZ-UHFFFAOYSA-N 235.302 2.771 0 40 BFAB CCN(C(=O)c1cccc2c1ccn2C)C1CC1 69369119 BHBCWLQBPSYAEG-UHFFFAOYSA-N 242.322 2.803 0 40 BFAB CC[C@@H](COC)NCc1cccc(Cl)c1 70656778 KMCCMIOFAMEDAC-LBPRGKRZSA-N 227.735 2.855 0 40 BFAB Nc1ccc(Br)c(C2CC2)c1 72193370 UVDWSNIVPGNZFL-UHFFFAOYSA-N 212.090 2.909 0 40 BFAB Cc1ccccc1CN1C[C@H]2CCCN2C[C@@H]1C 72324427 SQOWSENQVLOOAZ-GOEBONIOSA-N 244.382 2.664 0 40 BFAB Cc1ccccc1[C@H](O)CSc1nccn1C 76081910 RWBCVXIXIGTZSS-GFCCVEGCSA-N 248.351 2.554 0 40 BFAB CO[C@H](C)C(=O)N(C)c1ccc(C(C)C)cc1 89893406 IMOIJRNFKWLOJD-LLVKDONJSA-N 235.327 2.808 0 40 BFAB CC1CCN(Cc2cc(F)ccc2C=O)CC1 95738687 ZHZMMFAAFAWXMO-UHFFFAOYSA-N 235.302 2.870 0 40 BFAB CCSCC(=O)NCc1ccc(CC)s1 96433428 ZBBQKZXQGAEUFX-UHFFFAOYSA-N 243.397 2.680 0 40 BFAB CC(C)c1ccc(C(=O)Nc2cnccn2)s1 97379906 YNGUXODMJYVPMA-UHFFFAOYSA-N 247.323 2.914 0 40 BFAB CCc1cc(O)ccc1NC(=O)c1ccc[nH]1 191038846 BKRDBCGNGJHVIQ-UHFFFAOYSA-N 230.267 2.535 0 40 BFAB COc1ccc([C@@H](C)N[C@H]2CCCC[C@@H]2N)cc1 218868763 VQTRNMZJWYDLFO-UGFHNGPFSA-N 248.370 2.616 0 40 BFAB CC[C@@H](C(=O)O)N(C)c1ccc(C)c(C)c1 224983769 ZHHRBLXMYBTJMU-LBPRGKRZSA-N 221.300 2.603 0 40 BFAB Cc1ccc(N[C@@H]2CC[C@@H]2O)c(Cl)c1 585298743 CHQPLUREDGYDHH-MNOVXSKESA-N 211.692 2.584 0 40 BFAB O=C(O)[C@@H]1Oc2ccccc2[C@H]1c1ccccc1 1587598 CSQHMXGTEXRJLR-ZIAGYGMSSA-N 240.258 2.664 0 40 BFAB C[C@H]1c2[nH]c3ccccc3c2CCN1C 1627061 VENAANZHUCMOGD-VIFPVBQESA-N 200.285 2.717 0 40 BFAB biogenic Cc1cnc(NC(=O)Cc2ccsc2)s1 3284155 NXACQFMYESZSSV-UHFFFAOYSA-N 238.337 2.694 0 40 BFAB CN(C)CCO[C@@H]1C(C)(C)[C@H]2CC[C@]1(C)C2 4416400 SZZKEDPTVWMFNF-OUCADQQQSA-N 225.376 2.779 0 40 BFAB C[C@@H]1CCCN(C(=O)c2cccnc2Cl)C1 6250028 HGAPFNVAUJPHIR-SECBINFHSA-N 238.718 2.607 0 40 BFAB S=c1[nH]nc(Cc2ccccc2)c(=S)[nH]1 6575289 LJIJCOCWWHDFLK-UHFFFAOYSA-N 235.337 2.788 0 40 BFAB C[C@H]1CCCN([C@@H](C)C(=O)Nc2ccccc2)C1 7384199 XIYWYNJFUOXPPR-STQMWFEESA-N 246.354 2.746 0 40 BFAB CCOc1ccc(CNC(C)(C)C)cc1OC 8324673 TYWIGIZXNPSFQF-UHFFFAOYSA-N 237.343 2.982 0 40 BFAB C[C@H](NCc1ccc(C(=O)O)o1)c1ccccc1 8729695 HLFZFBSLTOUXDD-JTQLQIEISA-N 245.278 2.829 0 40 BFAB CCC(=O)Nc1cc2ccccc2cc1C(=O)O 13171355 SFLQHOIZDJYLAY-UHFFFAOYSA-N 243.262 2.887 0 40 BFAB O=C(Cc1cccc(F)c1)NCc1ccccc1 15634442 FBDUBKWUWUGXEY-UHFFFAOYSA-N 243.281 2.685 0 40 BFAB CCN(CC)C[C@H](O)c1ccccc1Cl 19784828 IUMFICZMOGWANU-LBPRGKRZSA-N 227.735 2.715 0 40 BFAB Fc1cccc(CNc2cccnc2)c1 19884130 FYCFPHMZCJJYEG-UHFFFAOYSA-N 202.232 2.833 0 40 BFAB COc1cccc(CNc2cccnc2)c1OC 19884484 RWJWFPOAKAFOLE-UHFFFAOYSA-N 244.294 2.711 0 40 BFAB CCNC(=O)[C@@H](CC)Oc1cccc(C)c1C 20489137 UKWBRKLBHCWZRU-GFCCVEGCSA-N 235.327 2.597 0 40 BFAB NCC1c2ccccc2Oc2ccccc21 21984468 VYDDHEPARBFMGU-UHFFFAOYSA-N 211.264 2.883 0 40 BFAB in-vivo O=C(Nc1cccc(F)c1)c1cc(C2CC2)on1 32871951 KVQBCDNGVNOJKQ-UHFFFAOYSA-N 246.241 2.943 0 40 BFAB CCOCCCN[C@@H](C)C1CCCCC1 37214681 PJEIWGLAJLCGKS-LBPRGKRZSA-N 213.365 2.971 0 40 BFAB Cn1cc(C(=O)O)c(-c2cc3ccccc3o2)n1 37311573 UCFVLIQKNBWLRF-UHFFFAOYSA-N 242.234 2.532 0 40 BFAB Cc1cc(C)c(NCc2cc[nH]n2)c(C)c1 37763661 GNZJGFXXYCTGAS-UHFFFAOYSA-N 215.300 2.947 0 40 BFAB CC1CCC(N(C)C(=O)C2CCC2)CC1 40473024 NLYIGZAUFTWPOW-UHFFFAOYSA-N 209.333 2.824 0 40 BFAB CC(C)(Br)C(=O)N1CCCCCC1 41692363 LDGZFLLOFMIIOE-UHFFFAOYSA-N 248.164 2.563 0 40 BFAB Cc1noc(CN(C)[C@H](C)c2ccc(F)cc2)n1 42541159 FROHJBBSIDZRDG-SECBINFHSA-N 249.289 2.710 0 40 BFAB O=C(O)CCCC(=O)c1ccc(F)cc1Cl 43214155 ONSJPTTZAVCTRT-UHFFFAOYSA-N 244.649 2.917 0 40 BFAB Cc1ccc(F)cc1C(=O)c1ccccn1 55199143 YJIWWUCALFVZIE-UHFFFAOYSA-N 215.227 2.760 0 40 BFAB O=C(N[C@@H]1CCCc2occc21)c1ccoc1 69436042 JHONZSCLCAKNIN-LLVKDONJSA-N 231.251 2.680 0 40 BFAB CC(C)=CC(=O)N[C@@H]1CCCOc2ccccc21 69633211 LEXCLUJLAUPFDA-CYBMUJFWSA-N 245.322 2.983 0 40 BFAB CC(C)COc1cccc(-c2cnc(CN)o2)c1 72220118 QUPMMRSYDQAFRY-UHFFFAOYSA-N 246.310 2.835 0 40 BFAB CC(C)[S@](=O)c1ccc(Br)cc1 82046454 KNOPNGNHCUFBRQ-GFCCVEGCSA-N 247.157 2.965 0 40 BFAB CC[C@@H]1CC[C@H](NC[C@@H]2CCCn3ccnc32)C1 89948231 FQWBUBDKNHTEOY-RDBSUJKOSA-N 247.386 2.929 0 40 BFAB O=C(c1cc(F)c(F)c(F)c1)C(F)F 95917370 UAFDJLZZWPDMRQ-UHFFFAOYSA-N 210.101 2.552 0 40 BFAB COc1cncc(Br)c1Cl 95932182 NCPHSOVDUIKSFP-UHFFFAOYSA-N 222.469 2.506 0 40 BFAB Cc1nnc(CN[C@@H]2CCC[C@@H](C)[C@@H]2C)s1 97080754 UAYLIGKQKXAAFB-WCABBAIRSA-N 239.388 2.761 0 40 BFAB CC1=CC[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2C1 100395114 ASZMUCNZOBZRBK-CHWSQXEVSA-N 241.290 2.532 0 40 BFAB C[C@H]1CN(C)[C@H](C)C[C@@H]1OC(=O)c1ccccc1 101176599 CFHMFMSIDMLAND-SCRDCRAPSA-N 247.338 2.572 0 40 BFAB c1ccc(CN2CCC[C@H]([C@H]3CCCN3)C2)cc1 101269286 NTEQKPPDYLNFBT-JKSUJKDBSA-N 244.382 2.651 0 40 BFAB Cc1cc(N2Cc3ccccc3C2)nc(C)n1 106065883 BPSCFRFHXZYKRQ-UHFFFAOYSA-N 225.295 2.614 0 40 BFAB C(=C/c1ccncn1)\c1cnn(-c2ccccc2)c1 157275899 XFVZBJAPCQJYSJ-VOTSOKGWSA-N 248.289 2.833 0 40 BFAB NN[C@@H]1C[C@@H](c2ccccc2)c2ccccc21 198837128 BKHURDUPJQKETH-LSDHHAIUSA-N 224.307 2.727 0 40 BFAB O=Cc1cnc(COc2cccc(Cl)c2)nc1 217375342 RLWQHMDTQRENBR-UHFFFAOYSA-N 248.669 2.522 0 40 BFAB N[C@H]1CCCC[C@H]1Nc1ccc(F)cc1 218682553 ZXAQXCHNOQYJHK-NWDGAFQWSA-N 208.280 2.508 0 40 BFAB CCOc1ccc(N[C@H]2CCCC[C@@H]2N)cc1 218860939 BYHYPGPSPNFWER-KBPBESRZSA-N 234.343 2.767 0 40 BFAB CC(C)Oc1ccccc1-n1cccc1C(=O)O 223737512 NYSJKTMXBWXTSZ-UHFFFAOYSA-N 245.278 2.963 0 40 BFAB CC(=O)OC(C)(C)C(=O)c1ccccc1C 382674255 JJCLQHKNQPXORB-UHFFFAOYSA-N 220.268 2.519 0 40 BFAB CSc1cc(C=O)ccc1Br 694939725 CHTLWFRMPJPUFW-UHFFFAOYSA-N 231.114 2.984 0 40 BFAB CCOC(=O)c1cccc(NC(=O)[C@H](C)CC)c1 365436 AOGJJAOLPJRMKT-SNVBAGLBSA-N 249.310 2.848 0 40 BFAB Cc1cccc(N)c1S[C@@H]1CCCC[C@@H]1O 553528 LJGIJNFBHPWGCW-NWDGAFQWSA-N 237.368 2.973 0 40 BFAB CC(C)C(=O)Nc1nnc(C2CCCC2)s1 795785 XFIWYZBUROEQJE-UHFFFAOYSA-N 239.344 2.790 0 40 BFAB CC(=O)N(Cc1ccccc1)c1nccs1 1584481 VXHQBEXOPDCKAX-UHFFFAOYSA-N 232.308 2.696 0 40 BFAB CCCCCCNP(=O)(OC)OC 1843063 MEVVWWRBPREKSP-UHFFFAOYSA-N 209.226 2.557 0 40 BFAB CCc1ccc(NCc2ccn(C)n2)cc1 2536321 ZNGNZMFNLGWLBH-UHFFFAOYSA-N 215.300 2.595 0 40 BFAB C[C@H]1CCCN(CC(=O)c2ccccc2F)C1 3306803 NCUQLIHPAJDEAY-NSHDSACASA-N 235.302 2.740 0 40 BFAB C/C(=C/C(=O)N1CCCCC1)C(F)(F)F 3847603 CMICLHNTUULKJB-FPLPWBNLSA-N 221.222 2.508 0 40 BFAB CCC(=O)O[C@H]1C[C@@H]2C[C@H]1[C@H]1CC=C[C@@H]21 3882636 BLBJUGKATXCWET-HTFCKZLJSA-N 206.285 2.540 0 40 BFAB CC(C)[C@@H](CC(=O)O)[C@H]1CCOC(C)(C)C1 4046693 BBWMQSIVQSDBJA-WDEREUQCSA-N 228.332 2.939 0 40 BFAB biogenic Nc1cc(Br)ccc1C1CC1 4245440 PJUKQEFUOIIPHR-UHFFFAOYSA-N 212.090 2.909 0 40 BFAB Cc1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)c1 4839766 NLCGWYVJECREQR-SCRDCRAPSA-N 229.323 2.913 0 40 BFAB O=C(Nc1ccccc1C(=O)O)c1ccsc1 8231196 JVNPVDJFOUFLKM-UHFFFAOYSA-N 247.275 2.699 0 40 BFAB Nc1cc(Cl)ccc1OCC(F)(F)F 12505580 QVHQVFPXAKZMKQ-UHFFFAOYSA-N 225.597 2.863 0 40 BFAB in-vitro O=C(O)c1ccc(Cl)c2cccnc12 12540145 CAWINOOCACWKDM-UHFFFAOYSA-N 207.616 2.586 0 40 BFAB in-vitro Cc1ccc(-n2ncc([C@H](C)N)c2C)cc1 12896317 NLPRSABCLYBEPR-JTQLQIEISA-N 215.300 2.509 0 40 BFAB in-vitro CCOCCOc1ccc(C(F)(F)F)cc1N 14629444 WHXFCXSDKSHNGS-UHFFFAOYSA-N 249.232 2.703 0 40 BFAB CC[C@H](C)Nc1ccc(OC)c(OC)c1 19908854 ANDNTVAZWIPHII-VIFPVBQESA-N 209.289 2.914 0 40 BFAB O=C(O)c1cc(F)c(Cl)c(O)c1Cl 21984671 OEVPXZDUHKJUSX-UHFFFAOYSA-N 225.002 2.536 0 40 BFAB CCCc1c(-c2cccs2)noc1N 26512632 GQBUXVDQUMOIIB-UHFFFAOYSA-N 208.286 2.938 0 40 BFAB CCC(CC)C(=O)Nc1nc2ccccc2n1C 28227586 YEIKJNNYZDGPQK-UHFFFAOYSA-N 245.326 2.948 0 40 BFAB CC[C@@H](C)NC(=O)[C@H](C)Oc1cc(C)cc(C)c1 32611022 MTQYSXCEBQNFJO-OLZOCXBDSA-N 249.354 2.985 0 40 BFAB CC(C)(C)C(=O)Nc1ncc(Cl)cc1C=O 34349066 SOSXRMQQJURPLU-UHFFFAOYSA-N 240.690 2.532 0 40 BFAB CCCCN(C)Cc1cc(F)ccc1N 35308445 UURBPYIZMVTAHD-UHFFFAOYSA-N 210.296 2.640 0 40 BFAB O=C(Nc1ccc2ccccc2n1)c1ccncc1 36394911 XCGRPBLBMCNGBY-UHFFFAOYSA-N 249.273 2.882 0 40 BFAB CC(C)(C)c1nn(C(C)(C)C)cc1C=O 36894343 LTANGQYFUXZLAO-UHFFFAOYSA-N 208.305 2.748 0 40 BFAB CN(C)[C@H](C(=O)O)c1cccc(Cl)c1Cl 37358225 ZFEVHXHYMHYTBG-VIFPVBQESA-N 248.109 2.681 0 40 BFAB CO[C@@](C)(C(=O)O)c1ccc(Cl)cc1Cl 41922653 AWJQUODBXFQTAL-SNVBAGLBSA-N 249.093 2.940 0 40 BFAB O[C@H](c1cc(F)ccc1F)C(F)(F)F 42268329 MOZNWZHJYBPPJZ-SSDOTTSWSA-N 212.117 2.561 0 40 BFAB Clc1cccc(NCC2CCOCC2)n1 42784069 ZODBSQFGZYSBRM-UHFFFAOYSA-N 226.707 2.574 0 40 BFAB Cc1ncc(Br)c2[nH]ccc12 43220712 QICNNKVEKVHEEM-UHFFFAOYSA-N 211.062 2.634 0 40 BFAB in-vitro COCc1ccccc1CNc1ncccc1F 54700648 UKWAUHWPAPQRIC-UHFFFAOYSA-N 246.285 2.979 0 40 BFAB C[C@H]1CC(C)(C)NC2=NC(C)(C)CC[C@H]21 57990123 UIZGCTCJFKGHAI-UWVGGRQHSA-N 208.349 2.982 0 40 BFAB C[C@H]1CCCN(Cc2cccc3c2OCCO3)C1 60100375 CQQAGIFPQYQBCJ-LBPRGKRZSA-N 247.338 2.690 0 40 BFAB CC1CCN(Cc2cccc(O)c2)CC1 62183982 WLBPKMYCQDQFLG-UHFFFAOYSA-N 205.301 2.624 0 40 BFAB O=C(O)C/C=C/c1cccc(Br)c1 62710414 HKQXZZNEBAXNRY-DUXPYHPUSA-N 241.084 2.937 0 40 BFAB CSc1nc(=O)c2c([nH]1)sc1ccccc12 63580086 BQCPRXLQKHRTQS-UHFFFAOYSA-N 248.332 2.860 0 40 BFAB CC(=O)NCCCSc1ccc(C)c(C)c1 67944471 CYTHTJKKYSVINH-UHFFFAOYSA-N 237.368 2.922 0 40 BFAB C[C@H]1C[C@@H]1C(=O)NCc1ccc(F)c(Cl)c1 71853717 LCSKOWQGWZJIGA-CBAPKCEASA-N 241.693 2.751 0 40 BFAB COC(=O)[C@@H](C)c1ccc(Br)s1 72266357 OHMOCGWWYBEKKW-YFKPBYRVSA-N 249.129 2.787 0 40 BFAB in-vitro CC(=O)c1cc(F)c(Br)c(F)c1 75927735 VAOKHDWJQCHTID-UHFFFAOYSA-N 235.027 2.930 0 40 BFAB CC(C)SCc1nc(N)c2ccccc2n1 78555658 MBRWCCLPGBHWTF-UHFFFAOYSA-N 233.340 2.854 0 40 BFAB Cc1cnn(-c2ccccc2C(F)(F)F)c1N 79387423 GGGYQHDGLSLYBE-UHFFFAOYSA-N 241.216 2.782 0 40 BFAB C[C@H]1C[C@@H](N[C@@H](CO)c2ccco2)CC[C@H]1C 97161957 FWEBSLPARNZHNQ-VOAKCMCISA-N 237.343 2.727 0 40 BFAB Cc1cc(N[C@H]2CCOC2)c2ncccc2c1 97231592 NIORUXYDTGAIDK-LBPRGKRZSA-N 228.295 2.744 0 40 BFAB Nc1ccc(Oc2ccnc(Cl)c2)nc1 98175350 RVFICAFWAJOCDQ-UHFFFAOYSA-N 221.647 2.505 0 40 BFAB CCn1c(C)cs/c1=N/c1ccc(O)cc1 102937284 OBNDIZYXTVWEKW-OUKQBFOZSA-N 234.324 2.816 0 40 BFAB Cc1ccccc1-c1nnc(-c2cnco2)o1 216601772 DOYJLCSZFFIICA-UHFFFAOYSA-N 227.223 2.700 0 40 BFAB Cc1ccccc1Cn1c(C)cc(CN)c1C 223661887 FXOZUOMUZWQYNZ-UHFFFAOYSA-N 228.339 2.920 0 40 BFAB CC[C@@H](C(=O)O)N(C)c1ccc(C)c(Cl)c1 224992931 SOWDTSRNUHRISW-NSHDSACASA-N 241.718 2.948 0 40 BFAB CC1(C)CC[C@@H](C(=O)c2ccccc2)O1 256049638 ASSLPYPROLOPMK-NSHDSACASA-N 204.269 2.827 0 40 BFAB CSCCC(=O)c1ccccc1N(C)C 382695149 KIAARSPGYHWIDA-UHFFFAOYSA-N 223.341 2.688 0 40 BFAB CCC(=O)Oc1ccccc1/C=C(\C)[N+](=O)[O-] 408528987 YSJJTKKIPVMQDO-CMDGGOBGSA-N 235.239 2.640 0 40 BFAB CCCCC[C@H](C)NC(=O)C(F)(F)F 2030580 ZMOGSTKHQWMDST-ZETCQYMHSA-N 211.227 2.634 0 40 BFAB O[C@@H](c1ccccc1)c1ccccc1F 2510723 HFVMEOPYDLEHBR-ZDUSSCGKSA-N 202.228 2.907 0 40 BFAB Clc1nc2sccn2c1CN1CCCC1 2740403 ZLBUBIJTEGSONU-UHFFFAOYSA-N 241.747 2.645 0 40 BFAB C[C@@H]1CCCCN1CC(=O)c1ccccc1F 3306795 LBWBSVPWFFGJEC-LLVKDONJSA-N 235.302 2.883 0 40 BFAB CCc1ccc(-c2nc(CC(=O)O)cs2)cc1 3440485 LQSQCPPYDPAYKK-UHFFFAOYSA-N 247.319 3.000 0 40 BFAB in-vitro O=S(=O)(c1ccccc1)[C@@H]1C=CCCC1 4114243 DIHRJKGTAFQMJV-GFCCVEGCSA-N 222.309 2.569 0 40 BFAB O=C(Nc1ccccc1)[C@@H]1C[C@@H]2C=C[C@H]1C2 4746711 XGBHRXNRYYODNV-NTZNESFSSA-N 213.280 2.837 0 40 BFAB CC1=C(C)C[S@@](=O)N(c2ccccc2)C1 5757446 AEKOUOIDAINDAN-HNNXBMFYSA-N 221.325 2.507 0 40 BFAB O=C1CCCC/C(=C\c2ccccc2)N1 6514169 ZYPJMOWTDLAPDX-ZRDIBKRKSA-N 201.269 2.718 0 40 BFAB CCCNC1CCN(Cc2ccccc2)CC1 8731129 ZSFAYUNTAZFHHB-UHFFFAOYSA-N 232.371 2.651 0 40 BFAB Cn1cc([C@H](CN)C(F)(F)F)c2ccccc21 8737774 ZLDOOUPSUWERFC-JTQLQIEISA-N 242.244 2.783 0 40 BFAB CC(=O)c1sc(-c2ccc(C)n2C)nc1C 12396727 WDUVCNLEJCQDFI-UHFFFAOYSA-N 234.324 2.968 0 40 BFAB C[S@@](=O)c1ccc2c(c1)-c1ccccc1C2=O 17380303 FJGXKUAYBBNDCI-KRWDZBQOSA-N 242.299 2.635 0 40 BFAB CC1(C)C=Cc2c(ccc3ccc(=O)[nH]c23)O1 21986318 KRWYXVGRIHXUHX-UHFFFAOYSA-N 227.263 2.712 0 40 BFAB CC(C)(C)OC(=O)Nc1cccc2c1CCNC2 22014267 JXHAKLFEWQOFND-UHFFFAOYSA-N 248.326 2.679 0 40 BFAB NCCCc1cc(Cl)cc(Cl)c1 34325817 AQZQHHAQSFFDCW-UHFFFAOYSA-N 204.100 2.885 0 40 BFAB O=C(Cc1ncc[nH]1)c1ccc(Cl)cc1F 36946633 RITCAVWUWNDCGV-UHFFFAOYSA-N 238.649 2.628 0 40 BFAB in-vitro CC(C)OCCN(Cc1ccco1)C1CC1 45004942 XPUWKWGDWZDBQU-UHFFFAOYSA-N 223.316 2.669 0 40 BFAB COc1cccc2c(C(=O)O)cc(C3CC3)nc12 62151949 KYZLBPALZBQEIT-UHFFFAOYSA-N 243.262 2.819 0 40 BFAB Cc1ccc(CNCc2ccoc2C)o1 67218000 ACRUJGASPSAACV-UHFFFAOYSA-N 205.257 2.779 0 40 BFAB CCOc1ccc(NC(=O)c2ccc[nH]2)cc1 69454420 PHSLLDAFOINEOB-UHFFFAOYSA-N 230.267 2.666 0 40 BFAB O=C(N[C@@H]1CCCc2occc21)C1CCC1 69464436 YIJMHGQRPHUPPJ-LLVKDONJSA-N 219.284 2.573 0 40 BFAB COc1ccc([C@H]2CCCN2C(C)C)cn1 72211664 QCYODRFILJSDMQ-GFCCVEGCSA-N 220.316 2.636 0 40 BFAB Cc1cc([C@@H](O)c2ccccc2)cnc1N(C)C 72222069 TVIHNDDOJZQDTB-AWEZNQCLSA-N 242.322 2.538 0 40 BFAB Cc1cc(C(=O)c2ccccc2)cnc1S 72222738 VOKKXWVPBLVTDG-UHFFFAOYSA-N 229.304 2.910 0 40 BFAB Fc1ccc(CN2CC[C@H](c3ccn[nH]3)C2)cc1 72381366 NESDFRLKGQANKE-LBPRGKRZSA-N 245.301 2.538 0 40 BFAB CCO[C@@H](C)c1nccn1Cc1c(C)noc1C 89521539 TXPBWXJBLQJVBH-NSHDSACASA-N 249.314 2.634 0 40 BFAB CCSCCn1ccc(=O)c2ccccc21 95454318 CZEWXTLZZADQMZ-UHFFFAOYSA-N 233.336 2.755 0 40 BFAB CCCCOCc1ccc(C=O)cc1F 95738697 QYNKWASBNXXUNZ-UHFFFAOYSA-N 210.248 2.955 0 40 BFAB CSc1ccc(C2([C@@H](C)O)CC2)cc1 95739124 LXTXBKFIDKFRGV-SECBINFHSA-N 208.326 2.821 0 40 BFAB CC(C)[C@](C)(O)c1cc(F)c(F)c(F)c1 95739226 XWIDWJIJXXPLHV-NSHDSACASA-N 218.218 2.967 0 40 BFAB FC(F)(F)c1nc(Cl)c2cccnc2n1 95831041 NYCNVGUXVOGJSL-UHFFFAOYSA-N 233.580 2.697 0 40 BFAB Cc1cnc([C@H](NCC2CC2)C2CC2)s1 95961937 JRAKZOIFTKEVOW-LLVKDONJSA-N 222.357 2.902 0 40 BFAB CC/C=C(\C)C(=O)NCc1ccccc1COC 96166199 JFCQCCNQTHFYEK-KPKJPENVSA-N 247.338 2.806 0 40 BFAB COC(=O)c1oc2ccc(C)cc2c1OC 96510796 CBNPUUBIGVWBLZ-UHFFFAOYSA-N 220.224 2.536 0 40 BFAB O=Cc1ccccc1OC[C@H]1CC1(F)F 96515596 KVMIMJDTVGRNSA-SECBINFHSA-N 212.195 2.533 0 40 BFAB CNC(=O)[C@H]1C[C@H]1c1ccc(C(C)C)cc1 98012982 RDLJUWVBENIGFL-STQMWFEESA-N 217.312 2.660 0 40 BFAB Cc1ccc([C@]2(O)C[C@H](C)N(C)C[C@H]2C)cc1 104021807 CFZMSXAIXMGEAH-IPYPFGDCSA-N 233.355 2.543 0 40 BFAB CC[C@H](NN)c1ccccc1C(F)(F)F 161808279 YTHRXABHLKWIKO-VIFPVBQESA-N 218.222 2.620 0 40 BFAB COC(=O)[C@H]1CC[C@@H]1Sc1ccccc1 217792166 QWRZVWSQDKEBDJ-QWRGUYRKSA-N 222.309 2.730 0 40 BFAB COc1cccnc1N1CCC[C@@H](C(C)C)C1 527983218 XAIDBLQHFDGABU-GFCCVEGCSA-N 234.343 2.963 0 40 BFAB CCOc1nc2c(Cl)cccc2cc1N 685937627 VBERIACTBFVINT-UHFFFAOYSA-N 222.675 2.869 0 40 BFAB COc1ccc2nc(OCC3CC3)c(N)cc2c1 685938342 ITGKWPHPTGVDOH-UHFFFAOYSA-N 244.294 2.614 0 40 BFAB Cc1cccnc1-n1ccnc1C(C)C 1775967828 CADZIEQXNLZGBJ-UHFFFAOYSA-N 201.273 2.699 0 40 BFAB Cc1nn(-c2ccccc2)c2ncccc12 151226 UDHXHUOVIDTQIJ-UHFFFAOYSA-N 209.252 2.729 0 40 BFAB COc1ccc(-c2nc3cc(N)ccc3[nH]2)cc1 472586 GQXFFKQITYPJPY-UHFFFAOYSA-N 239.278 2.821 0 40 BFAB Cc1ccc(-c2noc([C@H]3CCCO3)n2)cc1 2481052 NDCJFVXDFYVRNH-LLVKDONJSA-N 230.267 2.897 0 40 BFAB Nc1ccccc1C(=O)Oc1ccc(F)cc1 4244796 VANOTGWIYRCGOT-UHFFFAOYSA-N 231.226 2.627 0 40 BFAB CCCCNC(=O)Nc1cccnc1Cl 5951503 ZUOJODJYQMTGNH-UHFFFAOYSA-N 227.695 2.657 0 40 BFAB NC1(c2ccccc2F)Cc2ccccc2C1 11886222 VOSDCQQLOBYBMX-UHFFFAOYSA-N 227.282 2.779 0 40 BFAB C[C@@H](NC(=O)NCc1ccco1)c1ccccc1 12917147 OWDCBLIQFLAPIL-LLVKDONJSA-N 244.294 2.840 0 40 BFAB COc1ccc2c(c1)[C@H](c1ccccc1)NCC2 19625786 FQPVFLMTXSRULW-INIZCTEOSA-N 239.318 2.930 0 40 BFAB CC(C)(C)OC(=O)N[C@H]1C[C@H](O)c2ccccc21 20357625 REHNRWSWBXHXSB-RYUDHWBXSA-N 249.310 2.690 0 40 BFAB O=C(Nc1ccc(F)cc1)c1cc(C2CC2)[nH]n1 31940398 IUAQLHREGNHTRZ-UHFFFAOYSA-N 245.257 2.679 0 40 BFAB CN(Cc1ccccc1F)C(=O)C1CCC1 32960786 PTSUDMYXNAZEQD-UHFFFAOYSA-N 221.275 2.584 0 40 BFAB C[C@H](CO)NC1CCC(C(C)(C)C)CC1 35603669 DVZBPDZDDOFJQQ-VOMCLLRMSA-N 213.365 2.562 0 40 BFAB O=C(Cc1ccccc1Cl)[C@@H]1CCCO1 38125490 LVDYVSQVFXRVQZ-LBPRGKRZSA-N 224.687 2.631 0 40 BFAB O=c1ccccn1CCOc1cccc(Cl)c1 39981981 OAHAJKLVABIZJX-UHFFFAOYSA-N 249.697 2.581 0 40 BFAB COc1ccc(C(=O)O)c(OC2CCCC2)c1 42372639 XEGGHWSJAZDNJQ-UHFFFAOYSA-N 236.267 2.715 0 40 BFAB in-vitro O=C(O)CCC(=O)c1ccc(F)cc1Cl 43214154 SIKYNSJUNIDDQM-UHFFFAOYSA-N 230.622 2.527 0 40 BFAB CN(C(=O)Cc1ccsc1)c1ccccc1 46469371 KSHLULCYOATWFZ-UHFFFAOYSA-N 231.320 2.954 0 40 BFAB NCc1cc(Oc2cccc(Cl)c2)ccn1 51549551 WQZZQDGUSNGRJC-UHFFFAOYSA-N 234.686 2.986 0 40 BFAB CCOc1cccc(N[C@@H](C)COC)c1 53195890 MWDJSVWYUMJING-JTQLQIEISA-N 209.289 2.532 0 40 BFAB COc1ccc2ccccc2c1[C@H]1C[C@H]1CN 54586939 VLAAANYQUSUYBA-AAEUAGOBSA-N 227.307 2.911 0 40 BFAB Cc1cc(CN2CCc3ccccc32)no1 61758017 PGKXLXVNGZTYMM-UHFFFAOYSA-N 214.268 2.546 0 40 BFAB C[C@@H](NCc1ccsc1)[C@@H](C)n1cccn1 69368694 ZDFDIQXPSLXFRU-GHMZBOCLSA-N 235.356 2.684 0 40 BFAB COc1ccccc1-c1nnc(Cl)s1 71050341 WESPQORMVPPXGH-UHFFFAOYSA-N 226.688 2.867 0 40 BFAB c1cc(NC2CCC2)ncc1[C@@H]1CCCCN1 72213850 MZWMFELOWSITFT-ZDUSSCGKSA-N 231.343 2.861 0 40 BFAB Cc1cc(Cl)nc([C@@H]2CCCCN2C)n1 72343830 WBTVNMZPILFKRX-VIFPVBQESA-N 225.723 2.595 0 40 BFAB CCCC(=O)N1CCCC[C@H]1c1nccc(C)n1 72361196 GYICCCVICZBXNL-LBPRGKRZSA-N 247.342 2.639 0 40 BFAB c1ccc(N2N=N[C@@H]3CCCCC[C@H]32)nc1 78503032 IROWVDFNJXGYFX-GHMZBOCLSA-N 216.288 2.970 0 40 BFAB CC[C@@H](C)C(=O)N[C@@H](C)c1csc(C)n1 78562706 DZXJOMHXXHNVRA-SFYZADRCSA-N 226.345 2.675 0 40 BFAB CCn1cc(NCc2cccc3[nH]ccc23)cn1 80333972 WXAIVTVFSNRQBT-UHFFFAOYSA-N 240.310 2.996 0 40 BFAB COc1noc2ccc(Br)cc12 84229440 UQOUFVCGRAWZNB-UHFFFAOYSA-N 228.045 2.599 0 40 BFAB Cc1ccccc1-c1cnn([C@@H](C)C(=O)O)c1 85395090 QEUMKDUYDSVAKM-JTQLQIEISA-N 230.267 2.504 0 40 BFAB Cc1ccc(Cl)c(NC(=O)Cc2ccn[nH]2)c1 95417473 WMURAHBAMZHQLO-UHFFFAOYSA-N 249.701 2.553 0 40 BFAB CC[C@@H](C)Sc1ccc(S(C)(=O)=O)cc1 96413683 SZVPKKRWPKNQHQ-SECBINFHSA-N 244.381 2.981 0 40 BFAB CC(C)[C@@H](N)CCN1CCCCCCC1 96523797 IHAOFQVIIGSAGN-ZDUSSCGKSA-N 212.381 2.626 0 40 BFAB COCCCOc1cc(C)cc(C)c1C=O 96526258 KUXSLGGZYJGBOR-UHFFFAOYSA-N 222.284 2.531 0 40 BFAB Cc1c(Br)ccc2ocnc12 97463392 KYCPALHUOOGTSM-UHFFFAOYSA-N 212.046 2.899 0 40 BFAB c1nc(N2C[C@@H]3CCC[C@H]3C2)c2ccsc2n1 98019108 AFJFPQDCNPLBGB-UWVGGRQHSA-N 245.351 2.928 0 40 BFAB CC/C=C(\C)C(=O)N[C@@H](C)Cc1ccco1 101395774 LFOFZKBLJQIFMX-RUYJGKKWSA-N 221.300 2.683 0 40 BFAB Cc1ccc([C@@]2(O)C[C@H](C)N(C)C[C@H]2C)c(C)c1 102666561 BNPBCKRXUQEEPS-IJEWVQPXSA-N 247.382 2.851 0 40 BFAB CC1(C)[C@@H](O)[C@]2(Br)CC[C@]1(C)C2 103708563 NDKVCUVWTLQJQW-QNSHHTMESA-N 233.149 2.711 0 40 BFAB CC(C)c1ccc(C(=O)[C@H]2C[C@@H]2C(=O)O)cc1 217816372 VTGISCKYQUJNDI-RYUDHWBXSA-N 232.279 2.713 0 40 BFAB Cc1cccc(N2CCN[C@@H]3CCCC[C@H]32)c1 218832216 LIOWXEIBUKWRFQ-HUUCEWRRSA-N 230.355 2.716 0 40 BFAB CC[C@@H](C)n1c(C)cc(C(=O)OC)c1C 223696822 YIYWRCBAFPPALR-MRVPVSSYSA-N 209.289 2.863 0 40 BFAB CCCNCc1c(C)[nH]c2ccc(O)cc12 223765153 JVRNQNQUVASZPZ-UHFFFAOYSA-N 218.300 2.682 0 40 BFAB CCCOc1cccc([C@H](C)NCCOC)c1 225166091 OTGHLFFXEAHSBJ-LBPRGKRZSA-N 237.343 2.772 0 40 BFAB CCCc1ccc(CNCCCOC)n1CC 226020892 WRHCDLZRVAQWLO-UHFFFAOYSA-N 238.375 2.587 0 40 BFAB CCn1c(Cc2ccccc2)ccc1C(=O)O 226027355 WQPPRYYVUQBSBP-UHFFFAOYSA-N 229.279 2.797 0 40 BFAB C[S@](=O)/C(Cl)=C/c1cccs1 239563187 XDCGAOUMMVCFIZ-NSHDSACASA-N 206.719 2.664 0 40 BFAB CC(C)Cn1ncc2c(Cl)nc(Cl)nc21 242677040 SWFITZVQBOSLNE-UHFFFAOYSA-N 245.113 2.789 0 40 BFAB CCOCc1nn(C(C)C)cc1Cl 408715122 AOGVLOVLDYMPPS-UHFFFAOYSA-N 202.685 2.654 0 40 BFAB COC(=O)c1cc2cc[nH]c2cc1C(F)(F)F 606302569 ZXKUFFNMZDMNNG-UHFFFAOYSA-N 243.184 2.973 0 40 BFAB FC[C@@H]1CCN(c2ncnc3ccc(F)cc23)C1 882842121 NUXVTJPYZQKDSQ-VIFPVBQESA-N 249.264 2.565 0 40 BFAB COc1ccc(NC2=NCCCS2)cc1 509285 DTZHQSMUSXBSQY-UHFFFAOYSA-N 222.313 2.600 0 40 BFAB C[C@@]1(c2ccccc2)CCCC[C@@H]1OC(N)=O 1628108 ACCLPWAXDNXWOT-JSGCOSHPSA-N 233.311 2.982 0 40 BFAB Cn1cc(Br)c(-c2ccccc2)n1 2548469 RHOKURUCEBPOIH-UHFFFAOYSA-N 237.100 2.850 0 40 BFAB in-vitro CCCCc1ccc(NS(=O)(=O)CC)cc1 2790587 KMEVRAUGBSPIAL-UHFFFAOYSA-N 241.356 2.791 0 40 BFAB CC[C@H](C)N1CCC(N2CCCCC2)CC1 4129576 AYVCPNHNBINYTP-ZDUSSCGKSA-N 224.392 2.735 0 40 BFAB CC[C@H](Oc1ccccc1F)C(=O)NC(C)C 8040601 WDZYHCPVRWFNLN-NSHDSACASA-N 239.290 2.508 0 40 BFAB CCCn1cc(C(=O)O)c2ccccc21 9239690 BKSKGOOUSZXLEC-UHFFFAOYSA-N 203.241 2.750 0 40 BFAB in-vitro Cn1ccnc1Oc1ccc(Cl)cc1 11535808 GXJDXJRXOIVZJN-UHFFFAOYSA-N 208.648 2.866 0 40 BFAB CC[C@H](C)c1ccc(O[C@@H]2CCNC2)cc1 14632244 NFVXUXZEGMODPO-SMDDNHRTSA-N 219.328 2.941 0 40 BFAB Cc1ccc(/C=C/c2n[nH]c(=S)[nH]2)cc1 16735446 RXGZUZMDXOMBEX-VOTSOKGWSA-N 217.297 2.946 0 40 BFAB OCc1cccc(OCc2cccc(F)c2)c1 20031637 XJTZAANOKROKOA-UHFFFAOYSA-N 232.254 2.897 0 40 BFAB CCOC(=O)CSc1ccc(C)c(C)c1 20302570 GUXOUHGNEHROIF-UHFFFAOYSA-N 224.325 2.959 0 40 BFAB Nc1cc(Cl)ccc1NC(=O)c1ccncc1 20344232 YKXKQAMGMNOQFB-UHFFFAOYSA-N 247.685 2.570 0 40 BFAB CN(C(=O)Nc1nccs1)c1ccccc1 27515724 SWLHSLSHNIANAJ-UHFFFAOYSA-N 233.296 2.811 0 40 BFAB CCc1ccc(C(=O)N[C@H](C)c2cccnc2)o1 28893637 JULXYYRTXFTMLY-SNVBAGLBSA-N 244.294 2.728 0 40 BFAB c1cncc(CNc2nc3ccccc3o2)c1 29225335 BCBIRIYQCHRGRP-UHFFFAOYSA-N 225.251 2.835 0 40 BFAB CCOC(=O)/C(=C/c1ccc(C)cc1)OCC 34303294 MZNFCTCZWITFCT-RAXLEYEMSA-N 234.295 2.936 0 40 BFAB CCc1cccc(NC(=S)N(C)C)c1 35082259 ZPKAAXQNUBBHNO-UHFFFAOYSA-N 208.330 2.507 0 40 BFAB Cc1cc(NC(=O)CCc2cccs2)no1 36140647 VTZJWPBCJWFLIK-UHFFFAOYSA-N 236.296 2.616 0 40 BFAB CC[C@@H](O)c1cc(Cl)ccc1OC 36157341 ZOWDWZHMLUUVRC-SECBINFHSA-N 200.665 2.792 0 40 BFAB C[C@@H](Cn1cccn1)Nc1nc2ccccc2o1 42338093 MBBVOAXNKDJCSC-JTQLQIEISA-N 242.282 2.525 0 40 BFAB O[C@H]1CCCC[C@@H]1OCc1ccccc1 44191675 OZOOGFVOCPMNTN-STQMWFEESA-N 206.285 2.507 0 40 BFAB Cc1cccc(C(=O)c2cc(F)cc(F)c2)n1 45028505 WAXUVYVQJPYZNE-UHFFFAOYSA-N 233.217 2.899 0 40 BFAB Cc1ccccc1NCCC(=O)NCC(C)C 58264938 DNNBNSRAVGNAIE-UHFFFAOYSA-N 234.343 2.569 0 40 BFAB CCO[C@@H](CN)c1ccccc1C(F)(F)F 62711965 IHGPBJXCXSQJOJ-JTQLQIEISA-N 233.233 2.742 0 40 BFAB CC[C@H](COC)N[C@H](C)c1ccccc1 70623612 NUAMNNLHBPJIGZ-DGCLKSJQSA-N 207.317 2.762 0 40 BFAB CCc1cccc2c(/C=C/C(=O)O)ccnc12 72206429 AKWFZSVJJMKWHV-VOTSOKGWSA-N 227.263 2.895 0 40 BFAB NC(=O)c1ccc2c(c1)Nc1ccccc1O2 72207109 QPJWKPCSCLCJNQ-UHFFFAOYSA-N 226.235 2.635 0 40 BFAB CCCCN1CCC[C@H]1c1cnc(N)cc1C 72218506 ITDSJYNKBODQRO-ZDUSSCGKSA-N 233.359 2.909 0 40 BFAB CCN(CC(=O)O)c1cccc(C(F)(F)F)c1 76632171 PUILBGRIIVGPCT-UHFFFAOYSA-N 247.216 2.616 0 40 BFAB CCCCCCN1CCC([C@H](C)O)CC1 77286319 BWJLIUOTFYISJQ-LBPRGKRZSA-N 213.365 2.660 0 40 BFAB C[C@@H]1CN(C(=O)C(C)(C)C)Cc2ccccc2O1 82353548 SMZRRRUDGDEHOE-LLVKDONJSA-N 247.338 2.842 0 40 BFAB O=C(c1sccc1OC(F)F)N1CCCC1 89885304 GZAITKNIZZQKDG-UHFFFAOYSA-N 247.266 2.586 0 40 BFAB Nc1ccc(Br)c(OC(F)F)c1 95630907 YDNMEBRTPBTYIQ-UHFFFAOYSA-N 238.031 2.633 0 40 BFAB Nc1c(Cl)cc(-c2ncc[nH]2)cc1Cl 95726837 KLMXUIXOFFGDBC-UHFFFAOYSA-N 228.082 2.966 0 40 BFAB CCCc1cc(NC(=O)c2sccc2C)n[nH]1 95956471 IPXKHQJAFSJTOO-UHFFFAOYSA-N 249.339 2.984 0 40 BFAB CCC[C@H]1C[C@@H]1NC(=O)Nc1ccncc1F 97135943 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CCO[P@@](=O)(CC)OC(=O)N(CC)CC 5807547 FKBXYSRAKVXMTJ-HNNXBMFYSA-N 237.236 2.714 0 40 BFAB COCc1ccc(C(=O)Nc2nccs2)cc1 7401167 WSOYUIWISOVIPJ-UHFFFAOYSA-N 248.307 2.542 0 40 BFAB CC[C@H](Oc1cc(C)ccc1C)C(=O)O 8729626 RLQFYNDCHSICJY-JTQLQIEISA-N 208.257 2.545 0 40 BFAB Cc1ccccc1CNC(=O)c1ccoc1C 12978141 UCXYHBJPODRNBT-UHFFFAOYSA-N 229.279 2.826 0 40 BFAB C[C@@H]1CCCC[C@H]1NCc1ccccn1 19957013 FOZLLACWSWHDHX-DGCLKSJQSA-N 204.317 2.750 0 40 BFAB COc1cccc([C@H]2CC(O)=Nc3n[nH]cc32)c1 20731095 GBGKEWVMWRRXFB-SNVBAGLBSA-N 243.266 2.542 0 40 BFAB Cc1ccoc1C(=O)Oc1ccc2c(c1)OCO2 21667983 TWSNOGGJKVNGIA-UHFFFAOYSA-N 246.218 2.536 0 40 BFAB CC(C)CCCNC(=O)c1cccc2cn[nH]c12 25328543 KECWDFOJAIGIJT-UHFFFAOYSA-N 245.326 2.729 0 40 BFAB Clc1ccc(COC[C@@H]2CCCN2)cc1 28521850 DPPOITNBBMMGKN-LBPRGKRZSA-N 225.719 2.609 0 40 BFAB Cc1cc(=O)c(OCc2ccccc2)co1 33822562 QTCDARUVRYYQMB-UHFFFAOYSA-N 216.236 2.527 0 40 BFAB CC(C)C[C@H]1Nc2ccccc2C(=O)N1C 49538542 NGUZNKWTSCVVSN-LBPRGKRZSA-N 218.300 2.556 0 40 BFAB biogenic 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238.258 2.791 0 40 BFAB Cn1ncc2c(Cl)cc(C(C)(C)C)nc21 225814468 HJKKNAXCOXMITK-UHFFFAOYSA-N 223.707 2.919 0 40 BFAB CN[C@H]1CC[C@H](N(C)Cc2ccccc2)CC1 242574896 NIKPZJGGRIYLMS-SHTZXODSSA-N 232.371 2.649 0 40 BFAB Nc1ccccc1OC[C@H](F)C(F)(F)F 256053328 QZWZCYHFQRMKPE-QMMMGPOBSA-N 223.169 2.548 0 40 BFAB Cc1cc(NC(N)=O)ccc1C(F)(F)F 390835815 YYJXOCJMBLWQII-UHFFFAOYSA-N 218.178 2.504 0 40 BFAB C[C@H](O)C1CC(COCc2ccccc2)C1 584600672 WBHXFYNRMMEHRT-XGNXJENSSA-N 220.312 2.610 0 40 BFAB CC(C)Oc1nc2cccc(F)c2cc1C(=O)O 685937029 HXXVGAHCMDTSMK-UHFFFAOYSA-N 249.241 2.859 0 40 BFAB CSc1nc2cccc(C)c2c(=O)n1C1CC1 1565522900 VRQDNWXFLWHPOQ-UHFFFAOYSA-N 246.335 2.762 0 40 BFAB Cc1ccc(CNCc2ccc3c(c2)OCO3)o1 793404 LALLZDKLMLGVGB-UHFFFAOYSA-N 245.278 2.607 0 40 BFAB CC[C@H](C)NC(=O)c1cc(Cl)ccc1O 2044358 RQYXVZYBAZYMNB-ZETCQYMHSA-N 227.691 2.574 0 40 BFAB Cc1cc(C)cc(C(=O)CC(C)(C)C(=O)O)c1 2378650 JOJHIRMHBUHMEQ-UHFFFAOYSA-N 234.295 2.987 0 40 BFAB CCOC(=O)CCCCC(=O)C(C)(C)C 2379043 QDVSKMBKORYSQW-UHFFFAOYSA-N 214.305 2.725 0 40 BFAB Cc1cc(NC(=S)Nc2ccccc2)no1 3212731 CCYCCECFYOTLOA-UHFFFAOYSA-N 233.296 2.792 0 40 BFAB CN1CCC[C@@H]1/C=C/COc1ccc(F)cc1 4108545 HCDXPUIXSWEZPN-MASHWEEQSA-N 235.302 2.855 0 40 BFAB CCOC(=O)c1ccc(N(N=O)C(C)C)cc1 5249312 FGYDQLGIFZNSJH-UHFFFAOYSA-N 236.271 2.760 0 40 BFAB COc1ccc(CCC2CCNCC2)cc1OC 12371292 RBAMJADJPNZZCE-UHFFFAOYSA-N 249.354 2.636 0 40 BFAB CCCSc1n[nH]c(=S)c2[nH]cnc12 13212739 LLSVOZPKAUIMQH-UHFFFAOYSA-N 226.330 2.518 0 40 BFAB CNc1nnc(-c2cccc(C)c2)s1 13999069 QYAJBFNVKOQQBY-UHFFFAOYSA-N 205.286 2.555 0 40 BFAB CCCC(=O)Nc1cc(C(=O)OC)ccc1C 14019842 MQHDKGRUXMMOCE-UHFFFAOYSA-N 235.283 2.520 0 40 BFAB CCNCCOc1ccc(C(C)(C)C)cc1 19738108 JTDDIEJCERZXRI-UHFFFAOYSA-N 221.344 2.972 0 40 BFAB CCc1c(C=O)c(C)n(C[C@@H]2CCCO2)c1C 22122279 XWQNFQYHCMXMOD-LBPRGKRZSA-N 235.327 2.659 0 40 BFAB Cc1nc2c(s1)[C@H](c1cccs1)NCC2 28428653 FNUGCJCOGKZMNL-JTQLQIEISA-N 236.365 2.748 0 40 BFAB O[C@@H]1CCCc2ccc(Br)cc21 31889112 SXVUISODQKZWFM-SNVBAGLBSA-N 227.101 2.819 0 40 BFAB in-vitro CC(C)Oc1ccccc1CNC[C@H]1CCCO1 32104793 BOEUSBWYSAPXAK-CQSZACIVSA-N 249.354 2.742 0 40 BFAB CC(C)(C)OC(=O)Nc1ccc(O)c(C=O)c1 34445058 ZIRPXIWFPWEAQR-UHFFFAOYSA-N 237.255 2.552 0 40 BFAB CNCCCc1ccc(C(F)(F)F)cc1 34597551 LYDDZDHYYQPMFI-UHFFFAOYSA-N 217.234 2.857 0 40 BFAB O=C(NCCc1cccc(Cl)c1)C1CCC1 36396620 OHOQLYIBYSVPIU-UHFFFAOYSA-N 237.730 2.799 0 40 BFAB N[C@@H]1C[C@H]1c1c(Cl)cccc1Cl 37381235 GKAONAKCDWIZHS-SVGQVSJJSA-N 202.084 2.808 0 40 BFAB Sc1cc(S)c(S)cc1S 39273829 KVPDTCNNKWOGMZ-UHFFFAOYSA-N 206.382 2.841 0 40 BFAB Cc1ccccc1-n1cnc(Cl)c1C=O 40150499 RGNQFSMOHVRMER-UHFFFAOYSA-N 220.659 2.647 0 40 BFAB COc1ccc([C@H](O)c2ccco2)c(C)c1 40246254 XAOJXTWBUQPYCG-ZDUSSCGKSA-N 218.252 2.678 0 40 BFAB CN(C)c1nc(Cl)ncc1-c1ccccc1 40448323 VPNCOMHQEVMYCA-UHFFFAOYSA-N 233.702 2.863 0 40 BFAB O=C(CCc1ccccc1F)NCc1ccco1 40461140 GREMNOPPVMOESL-UHFFFAOYSA-N 247.269 2.668 0 40 BFAB CC(C)=CC(=O)NCCc1ccccc1C 45602127 GINXXKAGALZYGP-UHFFFAOYSA-N 217.312 2.620 0 40 BFAB Cc1ccc2c(c1)nc(-c1ccccn1)n2C 48526520 CXBITEUSBVFQAE-UHFFFAOYSA-N 223.279 2.944 0 40 BFAB CCN(CCO)Cc1ccc(Cl)cc1Cl 49754183 PZUFDKUNDXBXTP-UHFFFAOYSA-N 248.153 2.808 0 40 BFAB N=C(N)COc1ccccc1-c1ccccc1 55364111 SZCDNLZDZYKATF-UHFFFAOYSA-N 226.279 2.668 0 40 BFAB COC(=O)C[C@H](N)c1ccc(Cl)c(Cl)c1 57353611 ICBZGDYJXAEMPV-VIFPVBQESA-N 248.109 2.556 0 40 BFAB CCCCCn1nc(C(=O)O)c2ccccc21 60148943 NHNDVXVERSIHRZ-UHFFFAOYSA-N 232.283 2.925 0 40 BFAB CN(Cc1ncc(C(C)(C)C)o1)CC1CC1 69455579 WZYADNHVUCUZDE-UHFFFAOYSA-N 222.332 2.814 0 40 BFAB O=C(NO[C@@H]1CCCCO1)C1CCCCCC1 72078110 BBQAOVIRDBKQFY-GFCCVEGCSA-N 241.331 2.531 0 40 BFAB O=CN1CCCC[C@H]1c1ccc2ncccc2c1 72221819 IYCRFWWVSSHEAK-HNNXBMFYSA-N 240.306 2.918 0 40 BFAB OCc1ccc(C(F)(F)C(F)(F)F)c(F)c1 91251969 QIQLKTSLZAJUPA-UHFFFAOYSA-N 244.134 2.972 0 40 BFAB CC1(C)C(=O)C(C)(C)c2cc3c(cc21)CCOC3 96171785 BAROPRNZJHKTCR-UHFFFAOYSA-N 244.334 2.897 0 40 BFAB CC(=O)Nc1cccc(OCc2ccccc2)n1 96190919 ZQAVJXKBIZWLPT-UHFFFAOYSA-N 242.278 2.619 0 40 BFAB COc1ncc(C)cc1NC(=O)C1CCCC1 98016179 NVSRIZLQBYUUDF-UHFFFAOYSA-N 234.299 2.527 0 40 BFAB S=C(Nc1ccccn1)N[C@@H]1C[C@H]2CC[C@H]1C2 102367774 ZQELMTABSPGLNX-GARJFASQSA-N 247.367 2.557 0 40 BFAB CCCN1CCOc2nc3ccccc3cc2C1 105854246 KAYLFHPYXRMTGH-UHFFFAOYSA-N 242.322 2.839 0 40 BFAB Cc1ncccc1C(=O)Nc1cccc(F)c1F 108163402 APIQKINTADJMME-UHFFFAOYSA-N 248.232 2.921 0 40 BFAB Cc1ccccc1N[C@@H]1CCCC[C@@H]1N 115098804 CVXFZOUWYWUPNO-WCQYABFASA-N 204.317 2.677 0 40 BFAB CCCCn1c(CCC)ccc1C(=O)O 226025947 QDFXJELQJSRQDZ-UHFFFAOYSA-N 209.289 2.939 0 40 BFAB Cc1c[nH]c([C@H]2CCCN2Cc2nccs2)n1 257246950 IWRQTUJEWFNTLN-SNVBAGLBSA-N 248.355 2.512 0 40 BFAB CC(C)CC(=O)c1ccccc1N(C)C 308800618 KOTDAHINQQZJLB-UHFFFAOYSA-N 205.301 2.981 0 40 BFAB CCOC(=O)/C=C(\C)Nc1ccc(F)cc1F 504286235 RIFYRMVOZLWOSC-SOFGYWHQSA-N 241.237 2.844 0 40 BFAB CCOc1ccccc1NC1=N[C@H](C)CS1 3227235 YEJAEBLVFZEWII-SECBINFHSA-N 236.340 2.989 0 40 BFAB COC(=O)c1ccc2cc(OC)ccc2c1 3844127 ZLVPRNFYGCBLDS-UHFFFAOYSA-N 216.236 2.635 0 40 BFAB biogenic CC[C@@H](C)NCC(=O)Nc1cccc(C)c1C 3887676 PGBFKDCLSYFTAW-LLVKDONJSA-N 234.343 2.630 0 40 BFAB c1ccc(CSC2=NCCCCN2)cc1 4545559 LGIDVAQVVWXFNL-UHFFFAOYSA-N 220.341 2.659 0 40 BFAB N=C1c2ccccc2CN1c1ccc(O)cc1 4718274 CRVUFACFBFZXGR-UHFFFAOYSA-N 224.263 2.738 0 40 BFAB CC(C)(C)c1n[nH]nc1CNc1ccccc1 5250000 GFHPLOYCQDBLGT-UHFFFAOYSA-N 230.315 2.714 0 40 BFAB CC[C@H](CO)NCc1ccc(Cl)c(Cl)c1 8337043 ANBJZCUFUYRUDR-SECBINFHSA-N 248.153 2.854 0 40 BFAB C[C@H]1C[C@@H]1C(=O)N(C)Cc1cccc(Cl)c1 12976581 ZWSWWFLJLVFDRG-CABZTGNLSA-N 237.730 2.954 0 40 BFAB Cc1coc2c1c(C)cc1o/c(=N/N)cc(C)c12 13727175 JVFKTUUVGQYKSV-LFIBNONCSA-N 242.278 2.879 0 40 BFAB N=C(N)c1ccc(Oc2ccc(F)cc2)cc1 19866069 WJLOYXHQDZYPOS-UHFFFAOYSA-N 230.242 2.902 0 40 BFAB in-vitro CCCOc1ccc(CNC[C@H]2CCCO2)cc1 20092404 ATWHSTHTECUFBL-OAHLLOKOSA-N 249.354 2.744 0 40 BFAB CCOc1ccc(C(=O)O[C@H](C)CC)cc1N 20155554 WZJATTJPTTUJBX-SECBINFHSA-N 237.299 2.623 0 40 BFAB Cc1cc(Cl)ccc1OC1CCNCC1 20399697 MTVAZFCWBDHYEZ-UHFFFAOYSA-N 225.719 2.779 0 40 BFAB O=C1N=NCc2cc(Br)ccc21 21302901 OCPFOIJXWGPQTJ-UHFFFAOYSA-N 225.045 2.555 0 40 BFAB CC(=O)c1ccc(N2C(=O)OC[C@@H]2C(C)C)cc1 21996764 IKZHIIXIYBAVLI-CYBMUJFWSA-N 247.294 2.870 0 40 BFAB COCCCNCc1ccc(OC(C)C)cc1 33466324 DQNOJKKMPWQBOF-UHFFFAOYSA-N 237.343 2.600 0 40 BFAB Cc1cc(Br)cn2c(C)cnc12 36259664 PFBYJYBYJAZVCB-UHFFFAOYSA-N 225.089 2.714 0 40 BFAB in-vitro COc1ccc(C=O)c(Cl)c1Cl 39370259 UMGXHVUVCWTIDX-UHFFFAOYSA-N 205.040 2.815 0 40 BFAB CC(C)=CC(=O)NCc1cc(F)cc(F)c1 40504520 QZSCRGZJRKYXGD-UHFFFAOYSA-N 225.238 2.547 0 40 BFAB CC[C@@H](C)C(=O)NCCSC1CCCC1 40511070 OSJCVELNJMTTAL-SNVBAGLBSA-N 229.389 2.825 0 40 BFAB O=C(c1ccc(C(F)(F)F)cc1)c1ncco1 43210562 IHUHMIRJRFVXFH-UHFFFAOYSA-N 241.168 2.924 0 40 BFAB Cc1cccc(C(=O)[C@H]2CCC[C@H]2C(=O)O)c1 43879000 LCRAIEWQRNEROC-NWDGAFQWSA-N 232.279 2.679 0 40 BFAB COc1ccccc1[S@](=O)c1ccccc1 44139395 FOYIPSPJAHHQKW-INIZCTEOSA-N 232.304 2.862 0 40 BFAB CCN(Cc1cc(C)no1)C1CCCC1 47966837 AQBQVESRALQNST-UHFFFAOYSA-N 208.305 2.748 0 40 BFAB NC1CC(c2cccc(C(F)(F)F)c2)C1 50225007 SRHWDXIGQIWABB-UHFFFAOYSA-N 215.218 2.910 0 40 BFAB COC[C@H](C)Nc1ccc(SC)cc1 53172074 DLFDBPBFAMAGLY-VIFPVBQESA-N 211.330 2.855 0 40 BFAB COc1cc(N)ccc1N1CCC(C)CC1 57363447 PTIBIESLVDIGAY-UHFFFAOYSA-N 220.316 2.514 0 40 BFAB Cc1n[nH]c2ccc(C(F)(F)F)cc12 75883957 ZRTVCBXYCVALDV-UHFFFAOYSA-N 200.163 2.890 0 40 BFAB O=Cc1cc(F)cc(OC(F)(F)F)c1 87493243 QIBNSINERFPXSF-UHFFFAOYSA-N 208.110 2.537 0 40 BFAB in-vitro CC1(c2nc(Cl)cc(Cl)n2)CC1 87548845 INPBLHRJHIDGFA-UHFFFAOYSA-N 203.072 2.835 0 40 BFAB Nc1nc(-c2ccccc2)n2ccccc12 90601881 QJUGCUVISIZGCX-UHFFFAOYSA-N 209.252 2.584 0 40 BFAB c1csc(CN2CCC(c3cc[nH]n3)CC2)c1 92811002 PMRWZAACSHFTRK-UHFFFAOYSA-N 247.367 2.851 0 40 BFAB FC(F)(F)c1cnc2nc(Cl)cnc2c1 96509695 FYALOCYHLHORAQ-UHFFFAOYSA-N 233.580 2.697 0 40 BFAB Clc1cccc(-c2nccn2C[C@@H]2CO2)c1 96511330 NRSOWNRXWKIMJN-LLVKDONJSA-N 234.686 2.602 0 40 BFAB Cc1ncccc1OCc1nnc(C2CCC2)o1 97082598 RGZMLKPFKWXFOS-UHFFFAOYSA-N 245.282 2.620 0 40 BFAB Cc1cc(C)nc(NC(=O)NCc2ccco2)c1 97142870 ZPFMBNVNUQRODE-UHFFFAOYSA-N 245.282 2.613 0 40 BFAB CCC(=O)c1cnc(Cl)c(Cl)c1 97463387 DNTLFASSLZMNJK-UHFFFAOYSA-N 204.056 2.981 0 40 BFAB CCCc1cc(O)n(-c2ccc(OC)cc2)n1 100431216 QGOQLHBCIZKTMQ-UHFFFAOYSA-N 232.283 2.539 0 40 BFAB CC[C@@H](NC[C@@H]1C[C@H]2C=C[C@H]1C2)c1noc(C)n1 101544042 WCXBRVVYVPMOLO-ZDEQEGDKSA-N 247.342 2.631 0 40 BFAB C[C@@H](NC(=O)c1ccncc1)[C@H]1C[C@H]2CC[C@H]1C2 102840136 QWPBNHGILXSDPW-UVLXDEKHSA-N 244.338 2.636 0 40 BFAB CCCN(Cc1ccco1)C[C@@H](N)[C@H](C)CC 110764459 JQQBLKOMBMKRRE-TZMCWYRMSA-N 238.375 2.865 0 40 BFAB CCCn1cc(CNCc2cccs2)cn1 116912319 OPCIEILQDMFIKD-UHFFFAOYSA-N 235.356 2.644 0 40 BFAB CC(C)CC(=O)c1cccc(N(C)C)c1 158381480 TTWYZVSIQYIHEL-UHFFFAOYSA-N 205.301 2.981 0 40 BFAB Cc1cc(Br)c(F)c(C=O)c1F 214882074 JHVYUGMBBBJFFC-UHFFFAOYSA-N 235.027 2.848 0 40 BFAB O=C(CC(F)(F)F)Nc1ccnc(Cl)c1 236114622 AQFQLYCHEZELDH-UHFFFAOYSA-N 238.596 2.626 0 40 BFAB FC(F)(F)c1ccnc(N2CC=CCC2)c1 238820501 CNOXEDFOZODINC-UHFFFAOYSA-N 228.217 2.867 0 40 BFAB O=C(NC[C@H]1C[C@H]2CC[C@H]1C2)c1cccc(F)c1 247459607 AJPYURYLMKTZRR-GMXVVIOVSA-N 247.313 2.992 0 40 BFAB CCN(c1cc(C)cc(C)c1)[C@H](C)C(=O)O 260679539 RABUYFDSRZRMIZ-LLVKDONJSA-N 221.300 2.603 0 40 BFAB CCN(c1ccc(C)cc1C)[C@H](C)C(=O)O 260679589 SGNCGIFMGCLSMW-LLVKDONJSA-N 221.300 2.603 0 40 BFAB CC(=O)Oc1cccc(C(=O)C(F)(F)Cl)c1 309372094 SRQLIFFYXQLUKE-UHFFFAOYSA-N 248.612 2.626 0 40 BFAB Fc1c(Cl)cccc1C[n+]1ccccc1 159627 PYNUOWUFXNSUOW-UHFFFAOYSA-N 222.670 2.815 0 40 BFAB C[C@H]1CN(C)c2ccccc2-[n+]2ccsc21 384210 KWSOZRJUHLMVPG-JTQLQIEISA-N 231.344 2.578 0 40 BFAB CCOP(=O)(NNc1ccccc1)OCC 1688929 LUKWTHFOBVUTMZ-UHFFFAOYSA-N 244.231 2.784 0 40 BFAB Cc1c(F)c(C)c(C(=O)O)c(C)c1F 1706189 JDYOFXDGEHRADL-UHFFFAOYSA-N 200.184 2.588 0 40 BFAB O=C(O)[C@]1(c2ccccc2)CC1(Cl)Cl 4568388 YCXKWZHLCOEWAG-SECBINFHSA-N 231.078 2.587 0 40 BFAB in-vitro CCCC[C@@H](CC)[C@@H](O)[C@@H](C)[C@@H](C)O 4578627 LJGRJTMTDBCJEG-QCNOEVLYSA-N 202.338 2.581 0 40 BFAB C[C@@H]1C[C@@H](O)c2cc(Br)ccc2N1 4663563 USYQORVUJKRYHT-LHLIQPBNSA-N 242.116 2.687 0 40 BFAB biogenic CC(C)c1ccccc1NC(=O)[C@H]1CCCO1 5384807 MCYFYOCUNCVYQJ-CYBMUJFWSA-N 233.311 2.928 0 40 BFAB Oc1ccccc1-c1ccc2c(c1)CCO2 6863828 ZSUNTFZAYSYOPO-UHFFFAOYSA-N 212.248 2.994 0 40 BFAB C[C@@H]1CCCCN1CCOc1ccccc1N 8703276 NPIXPYYYLUQCJL-GFCCVEGCSA-N 234.343 2.522 0 40 BFAB CCC[C@@H](C)C(=O)Nc1ccc(N)cc1OC 8703538 SJOAGVSYWLQWDA-SECBINFHSA-N 236.315 2.652 0 40 BFAB Cc1cccc(Nc2ncnc3[nH]ncc23)c1C 11856428 VYOBUBOQHWNXPP-UHFFFAOYSA-N 239.282 2.713 0 40 BFAB Clc1nss/c1=N\c1nccs1 12408799 DCKNBMWQMQGGHB-YWEYNIOJSA-N 235.746 2.547 0 40 BFAB NCc1c(C(F)(F)F)cc(Cl)nc1Cl 16159602 CSDRMDGRPGMSKE-UHFFFAOYSA-N 245.031 2.866 0 40 BFAB Oc1ncc(-c2nc3cc(Cl)ccc3o2)cn1 16431177 BSHPRJZSIAXLLA-UHFFFAOYSA-N 247.641 2.644 0 40 BFAB O=C(O)c1cnc(-c2cccc(F)c2)s1 20444527 BUYVYNQGJLVMMT-UHFFFAOYSA-N 223.228 2.647 0 40 BFAB Cn1c(C(=O)O)cc2cccc(Cl)c21 21953391 COSBSGFCSJQBSG-UHFFFAOYSA-N 209.632 2.530 0 40 BFAB in-vitro Oc1cc(Cl)nc(-c2ccccc2)n1 25492692 KEHAFDUNVNZVHC-UHFFFAOYSA-N 206.632 2.503 0 40 BFAB c1ccc(CNc2ncnc3ccccc23)nc1 32540766 KEMVPFKOKKEHKV-UHFFFAOYSA-N 236.278 2.637 0 40 BFAB O=Cc1cccc(-c2ccc3c(c2)OCO3)c1 33427554 SPTAXVKZXVZADL-UHFFFAOYSA-N 226.231 2.895 0 40 BFAB Cc1cc(CN)c(C)n1Cc1ccc(F)cc1 34936128 NFLAGPAABMDFBN-UHFFFAOYSA-N 232.302 2.751 0 40 BFAB OCc1cccc(NCc2ccc(F)cc2)c1 35045422 OHVKPEMBAWGFOU-UHFFFAOYSA-N 231.270 2.930 0 40 BFAB C=CC(=O)NCC12CC3CC(CC(C3)C1)C2 36334388 OGEVJDMQHJLWLT-UHFFFAOYSA-N 219.328 2.505 0 40 BFAB CCCC(=O)N(C)[C@H]1CCc2ccccc21 40489738 OVBYRHMYOGWAKO-ZDUSSCGKSA-N 217.312 2.932 0 40 BFAB CCc1ccc(O[C@@H]2CCNC2)c(Cl)c1 42775156 LQCLJKZYVHBAJN-SNVBAGLBSA-N 225.719 2.643 0 40 BFAB Cc1nc2c(Nc3ccccc3C)ncnc2[nH]1 57279837 PYWSTQUWEADRMH-UHFFFAOYSA-N 239.282 2.713 0 40 BFAB NC1(Cc2ccccc2C(F)(F)F)CC1 59551468 GEZHYPIFXKZDRP-UHFFFAOYSA-N 215.218 2.739 0 40 BFAB C[C@@H](O)[C@H](C)c1ccc2ccccc2n1 63039743 LLDUNGXDOXONAX-VHSXEESVSA-N 201.269 2.719 0 40 BFAB in-vitro CSCCC(=O)c1ccc(F)c(F)c1 69984419 UWLRYYGXMVJTGB-UHFFFAOYSA-N 216.252 2.901 0 40 BFAB CCCOc1nc(Br)cs1 72193064 IBFIZYKGHCCZEX-UHFFFAOYSA-N 222.107 2.694 0 40 BFAB CC[C@H](C)n1nc(C)c(Cl)c1C=O 72209430 ZSUUNQRJSIKNRW-LURJTMIESA-N 200.669 2.628 0 40 BFAB O=C(C[C@H]1CCCCCN1)c1cccs1 74941906 JKWVALNCYUJVCG-SNVBAGLBSA-N 223.341 2.853 0 40 BFAB in-vitro Cc1cnn(-c2cccc(C(F)(F)F)c2)c1N 77387117 KEDRSZBMKGJUSR-UHFFFAOYSA-N 241.216 2.782 0 40 BFAB C[C@H]1CCC(=O)[C@H](Cc2ccncc2)C1 86354842 BRQVPXAOCUMTRR-JQWIXIFHSA-N 203.285 2.629 0 40 BFAB Nc1cc2cccc(C(F)(F)F)c2cn1 91692353 CYOPFIOCKFMNHI-UHFFFAOYSA-N 212.174 2.836 0 40 BFAB COC(=O)C[C@@H](C)CC(=O)c1ccc(C)cc1 95728758 QBRMLTFGVBTQMR-NSHDSACASA-N 234.295 2.767 0 40 BFAB Cc1ccc(CC[C@@H](C)NCC[C@H](C)O)cc1 95968049 BHTIBFFNNFXOPJ-KGLIPLIRSA-N 235.371 2.677 0 40 BFAB CCCCC(=O)N[C@H]1CCC[C@@H](SC)C1 96409462 XPFIERKTXCSNAQ-WDEREUQCSA-N 229.389 2.967 0 40 BFAB COc1c(C)cc([C@](C)(O)C2CC2)cc1C 96543395 ZQFONTVHZQUJLC-CQSZACIVSA-N 220.312 2.930 0 40 BFAB C[C@H]1C[C@@H](NCCC2(C)OCCO2)CC[C@H]1C 97146813 OSPWUGLXNLFSQX-AGIUHOORSA-N 241.375 2.554 0 40 BFAB C1CCC(N2CCN([C@@H]3C[C@@H]4CC[C@@H]3C4)CC2)C1 100610244 DNNZFCPRPFOCHG-IIAWOOMASA-N 248.414 2.735 0 40 BFAB Nc1cc(N2C=NCCC2)cc(C(F)(F)F)c1 228930132 BQRFCFYPZUMATM-UHFFFAOYSA-N 243.232 2.526 0 40 BFAB O=C(O)[C@@H]1C[C@@H]1[C@@H]1C[C@H]1c1ccccc1 252487414 XFIGCNCLVXGNDI-IRCOFANPSA-N 202.253 2.511 0 40 BFAB Cc1ccc(-c2ccc3c(c2)[C@H](N)C(=O)N3)cc1 254286883 OGOQLZQTSIHECJ-AWEZNQCLSA-N 238.290 2.614 0 40 BFAB CC[C@H](C)n1nccc1CNc1cc(C)nn1C 256054945 YLGOBMNGLFZDTA-NSHDSACASA-N 247.346 2.508 0 40 BFAB Cc1cc(C)nc(N2C[C@H]3CCCC[C@@H]3C2)n1 301526585 GGFUKWPKMCZJDY-CHWSQXEVSA-N 231.343 2.720 0 40 BFAB CC(=O)OC(C)(C)C(=O)c1ccc(Cl)cc1 382680676 AUIPNOVBOMCYIU-UHFFFAOYSA-N 240.686 2.864 0 40 BFAB COc1nc2c(C(F)(F)F)cccc2cc1N 685938347 IZGSSAVTRXLKPY-UHFFFAOYSA-N 242.200 2.844 0 40 BFAB O=S(=O)(Nc1ccccc1)C1CCCCC1 245244 NVANKNRYMMLDDH-UHFFFAOYSA-N 239.340 2.761 0 40 BFAB COc1ccc(C)cc1NC(=O)CC(C)C 483059 LCDPFYCMBCUAJJ-UHFFFAOYSA-N 221.300 2.988 0 40 BFAB Cc1ccc(C(=O)NCc2ccncc2)c(C)c1 514547 DPMMFAFURIKAOR-UHFFFAOYSA-N 240.306 2.628 0 40 BFAB COc1ccc2nc3c(C)n(C)ccc-3c2c1 1657262 GKOBEAWUMYEQIP-UHFFFAOYSA-N 226.279 2.995 0 40 BFAB COC(=O)c1ccc2cc(OC)c(OC)cc2c1 1722632 TULPQRWJLLDMQC-UHFFFAOYSA-N 246.262 2.644 0 40 BFAB Fc1ccc(CCC2CCNCC2)cc1 4312791 KXKCRYHRRIFFKX-UHFFFAOYSA-N 207.292 2.758 0 40 BFAB C[C@H](O)CO[C@@H](C)CO[C@@H](C)c1ccccc1 4428647 JINFSJZGAKHWFX-AVGNSLFASA-N 238.327 2.550 0 40 BFAB Cc1cc(C)nc(SCc2ccccn2)n1 6275820 IRDBVJWSGUXTKY-UHFFFAOYSA-N 231.324 2.781 0 40 BFAB O=C(O)Cc1cnc(-c2ccc(F)cc2)s1 12390464 LPYNKSFOSHIPBF-UHFFFAOYSA-N 237.255 2.576 0 40 BFAB CCCNCc1c[nH]nc1-c1cccs1 12747271 WHBCLUZGIHPXJR-UHFFFAOYSA-N 221.329 2.638 0 40 BFAB Cc1ccccc1OCc1ccc(C(N)=O)cc1 12973111 FXVQAUIKSIVBGE-UHFFFAOYSA-N 241.290 2.673 0 40 BFAB Cc1cc(C)c(C)c(O[C@@H]2CCCNC2)c1 14631647 NMIUPOLTNYMFEG-CYBMUJFWSA-N 219.328 2.743 0 40 BFAB CC(C)(C)c1ccc(CO[C@@H]2CCNC2)cc1 14632054 OVAMJZMOLCSGPE-CQSZACIVSA-N 233.355 2.863 0 40 BFAB CCc1c(C=O)c(C)n(-c2cccnc2)c1C 22122242 QJTMATMZHQYOMX-UHFFFAOYSA-N 228.295 2.864 0 40 BFAB Fc1cc(Br)cc2c1NCCC2 22219698 RHPZZEKDQMMXIN-UHFFFAOYSA-N 230.080 2.946 0 40 BFAB in-vitro O=C(Nc1ccncc1)C1(c2ccccc2)CC1 32726359 KHRHGOKZYGBLGZ-UHFFFAOYSA-N 238.290 2.752 0 40 BFAB Nc1cc(-c2cccc(F)c2)sc1C(=O)O 33358999 GITCHLVBEMEQSQ-UHFFFAOYSA-N 237.255 2.835 0 40 BFAB CNCc1nc2ccccc2n1-c1ccccc1 35411610 YRZNHBJSZCBUEK-UHFFFAOYSA-N 237.306 2.745 0 40 BFAB O=Cc1c(Cl)ncn1-c1ccc(Cl)cc1 36390464 QTTPQRUMGPORKP-UHFFFAOYSA-N 241.077 2.992 0 40 BFAB Cc1noc([C@H](C)Sc2ccccn2)n1 40051848 FQBSHSTWIRKLDF-ZETCQYMHSA-N 221.285 2.626 0 40 BFAB C[C@H]1CCCCN1c1cncc(Cl)n1 42783552 RONDOTOMBIFVEX-QMMMGPOBSA-N 211.696 2.509 0 40 BFAB C[C@H](c1cccc(Cl)c1)N1CCC[C@H](O)C1 43220490 JWCOLZVFSATOJX-MFKMUULPSA-N 239.746 2.858 0 40 BFAB Brc1csc(N2CCCCC2)n1 44116775 TXOTYFXRRSJMLF-UHFFFAOYSA-N 247.161 2.896 0 40 BFAB COc1ccc(C(=O)N[C@H](C)C(C)C)cc1F 52834825 JMMOWGZMWWDNOL-SECBINFHSA-N 239.290 2.609 0 40 BFAB CC[C@@H](O)Cc1ccccc1OC(C)C 58002260 FXBNVXAHFNVTEG-GFCCVEGCSA-N 208.301 2.787 0 40 BFAB CC(=O)c1sc(-c2ccoc2)nc1C 63046772 SYTNGMPVJGHNEF-UHFFFAOYSA-N 207.254 2.914 0 40 BFAB O=C(O)c1cc2ccccc2n1CC(F)(F)F 69287501 SGHDYKFOYDYTJJ-UHFFFAOYSA-N 243.184 2.902 0 40 BFAB in-vitro CC(C)Oc1ccc(-c2cc(CCN)no2)cc1 72220698 NQRRZFKLLLQXJK-UHFFFAOYSA-N 246.310 2.630 0 40 BFAB CC(C)c1ccc2ncc(CO)cc2c1 72226647 JNLIDXDGTFAUDU-UHFFFAOYSA-N 201.269 2.851 0 40 BFAB Cc1sc(/C=C/C(=O)O)cc1Br 85394023 ZCCQGDHNYHXCSO-NSCUHMNNSA-N 247.113 2.917 0 40 BFAB Cc1cc(CN(C)c2ccncc2Cl)no1 91429217 WBCVJSGTTGHGBS-UHFFFAOYSA-N 237.690 2.668 0 40 BFAB FC(F)(F)c1ncccc1N1CCCC1 95081171 ZZRASTWKDWYXAG-UHFFFAOYSA-N 216.206 2.701 0 40 BFAB Cc1nnc(CN[C@H](C)c2ccccc2)s1 95984162 DFGGYTZHCIYHQZ-SECBINFHSA-N 233.340 2.697 0 40 BFAB CC(C)c1cnc(NCc2ccnn2C)s1 96013706 CIEVSRSEHWHLOH-UHFFFAOYSA-N 236.344 2.612 0 40 BFAB CC[C@H](NCCOC)c1ccccc1F 96034221 LSTPUNOMHJMRMQ-LBPRGKRZSA-N 211.280 2.513 0 40 BFAB Fc1cc(F)cc(OCc2ccccn2)c1 97148425 OWDDOCZLUBNVMS-UHFFFAOYSA-N 221.206 2.939 0 40 BFAB Cc1cc(C)cc(CSCC(=O)N(C)C)c1 131224623 BPWYRMJEAAZGTA-UHFFFAOYSA-N 237.368 2.625 0 40 BFAB Cc1cc(C)cc(N[C@@H]2CCCC[C@H]2N)c1 141512790 DAAMSTPRPNAJAZ-ZIAGYGMSSA-N 218.344 2.985 0 40 BFAB Cn1c(Nc2ccccc2N)nc2ccccc21 218825770 OVUABQQDORNBNM-UHFFFAOYSA-N 238.294 2.899 0 40 BFAB O=C(NC[C@@H]1C[C@H]2CC[C@H]1C2)c1cccc(F)c1 247459615 AJPYURYLMKTZRR-GVXVVHGQSA-N 247.313 2.992 0 40 BFAB CC[C@H](C)n1ccc(COCC(F)(F)F)n1 408716653 PEWOVGTYDKRTOW-QMMMGPOBSA-N 236.237 2.933 0 40 BFAB Fc1ccc(Oc2cnccn2)c(F)c1 914863386 RQUPIYWHQBJMAA-UHFFFAOYSA-N 208.167 2.547 0 40 BFAB O=c1oc(-c2ccccc2)nc2ccsc12 1399278 DWKOESBNQVDIFB-UHFFFAOYSA-N 229.260 2.917 0 40 BFAB Cc1cccc(OS(=O)(=O)c2ccccc2)c1 1599354 STHKCLFVJLLODK-UHFFFAOYSA-N 248.303 2.763 0 40 BFAB Sc1ccc(I)cc1 2382815 IKZUTVQEBGHQJA-UHFFFAOYSA-N 236.077 2.580 0 40 BFAB Cc1ccc(C(=O)COC(=O)C2CCC2)cc1C 3303357 KAAGPDYJBLIQGX-UHFFFAOYSA-N 246.306 2.829 0 40 BFAB Cc1nc(-c2ccc3c(c2)OCCO3)cs1 3424080 GPEDRPGPKYUYRK-UHFFFAOYSA-N 233.292 2.890 0 40 BFAB O=C1N[C@@H](c2cccs2)Nc2ccccc21 4083113 ZYBQITBKNGCUHV-NSHDSACASA-N 230.292 2.602 0 40 BFAB COC[C@@H](C)Oc1ccc(C(F)(F)F)cc1N 6678529 GKQFQXHWSJXNQX-SSDOTTSWSA-N 249.232 2.701 0 40 BFAB Cc1ccc2nc(C)c(CN(C)C)c(O)c2c1 8660993 ZTULOJXXCSGZQR-UHFFFAOYSA-N 230.311 2.619 0 40 BFAB Cc1ccc2[nH]c3c(c2c1)CCN[C@@H]3C 11919679 KZXSLIJYGMWCBS-SECBINFHSA-N 200.285 2.683 0 40 BFAB O=C(Nc1cccc2cnccc12)c1ccccn1 12973158 CJTFAXNMPYYRAQ-UHFFFAOYSA-N 249.273 2.882 0 40 BFAB C[C@H]1CN(c2ccc(Cl)cc2N)C[C@@H](C)O1 20284881 VGTBDTRAZIEEKB-DTORHVGOSA-N 240.734 2.536 0 40 BFAB Cc1ccc([C@@H](C)NC(=O)CCc2ccco2)o1 23306989 MVMPNZAIKJATJD-LLVKDONJSA-N 247.294 2.991 0 40 BFAB CCCc1c(-c2ccsc2)noc1N 26512647 VVHSOGIMQQBZLO-UHFFFAOYSA-N 208.286 2.938 0 40 BFAB C[C@@H](C(=O)NC1CCCCCCC1)n1cccn1 28193903 HSHTXHXTCLNQPQ-LBPRGKRZSA-N 249.358 2.673 0 40 BFAB CC(=O)Nc1ccc(-c2coc(C)n2)cc1 30899946 BWJWTIJQYDOWGN-UHFFFAOYSA-N 216.240 2.608 0 40 BFAB CCOC(=O)CCCc1ccc(C(C)=O)cc1 34411122 AIWVXEZVUBWIOG-UHFFFAOYSA-N 234.295 2.775 0 40 BFAB CC[C@@H](N)COCc1ccc(Cl)cc1 34505170 RMTITIYLIURULS-LLVKDONJSA-N 213.708 2.594 0 40 BFAB Cc1cc(C)c(-c2cc(N)n(C)n2)c(C)c1 36938252 JEJPHVYXHPJVBA-UHFFFAOYSA-N 215.300 2.595 0 40 BFAB Fc1cccc(N2CCc3sccc3C2)n1 40711822 OKOZSXQSCZJPBD-UHFFFAOYSA-N 234.299 2.845 0 40 BFAB CC[C@@H](O)CN[C@H](C)c1ccc(Cl)s1 42587817 LLDNCHGFLLSEBY-HTQZYQBOSA-N 233.764 2.823 0 40 BFAB Cc1ccccc1CN(C)C(=O)CC(F)(F)F 44599532 MIGJOLXVAUMUDI-UHFFFAOYSA-N 245.244 2.906 0 40 BFAB Cc1cccc(C(=O)NCc2ccc(C)s2)n1 48340756 QRJAJIIOWKCWSP-UHFFFAOYSA-N 246.335 2.690 0 40 BFAB CCc1nc2ccccc2n1[C@@H]1CCCNC1 62807718 JBOPYLDFNZTWLO-LLVKDONJSA-N 229.327 2.523 0 40 BFAB O=C(O)c1csc(NC2CCCCC2)n1 72221351 KMVQBIKCTPSBCZ-UHFFFAOYSA-N 226.301 2.586 0 40 BFAB in-vitro N[C@@H]1CCCc2c1[nH]c1ccc(F)cc21 74205423 JNAQAPNLBDHNMO-SNVBAGLBSA-N 204.248 2.643 0 40 BFAB in-vitro O=Cc1cc(Br)c(Cl)o1 75618503 ZFLNJZJVLANTMJ-UHFFFAOYSA-N 209.426 2.508 0 40 BFAB Nc1cc2ccc(Br)cc2[nH]1 82952766 RYCNUAWREJKWPR-UHFFFAOYSA-N 211.062 2.513 0 40 BFAB Cc1cc(NCc2ccc(F)cc2F)no1 83353080 ZMDLPSRWTOMYSN-UHFFFAOYSA-N 224.210 2.873 0 40 BFAB C[C@@H](Sc1cn[nH]n1)c1ccccc1F 84660760 FCSSFAVQWBJLGH-SSDOTTSWSA-N 223.276 2.797 0 40 BFAB Cc1cc(C)c2nc(Cl)c(CN)cc2c1 89261975 TZYDSDWPDZUPTR-UHFFFAOYSA-N 220.703 2.964 0 40 BFAB Clc1ncnc2cc(-c3ccco3)[nH]c12 90495615 REFMGPMDTWMXGV-UHFFFAOYSA-N 219.631 2.871 0 40 BFAB in-vitro Cn1cccc1[C@H](O)c1cccc(Cl)c1 95727671 RPISTNKYFQKDAF-GFCCVEGCSA-N 221.687 2.760 0 40 BFAB CC(C)O[C@@H](C[C@@H]1CCCCN1)C(C)C 96530055 KDXHFEHNWPDEIY-STQMWFEESA-N 213.365 2.968 0 40 BFAB Cc1cccc(N(C)Cc2cncnc2)c1C 97103974 OXNCZHRTKHAYKU-UHFFFAOYSA-N 227.311 2.730 0 40 BFAB CC[C@@H](C)n1c(=S)[nH]c2cc(C)[nH]c2c1=O 101333019 MFRGIFMYUMOZCO-SSDOTTSWSA-N 237.328 2.667 0 40 BFAB Cc1nc2ccc(Cl)cn2c1-c1ccn[nH]1 102999095 WGWCSJHJNIRYJX-UHFFFAOYSA-N 232.674 2.686 0 40 BFAB Cc1ccc([C@@H](NN)c2ccccc2)cc1 144287961 BKHZUUCFJZEQMG-AWEZNQCLSA-N 212.296 2.548 0 40 BFAB CCC[C@H](C)NC(=S)Nc1cccc(C)n1 225384431 SWVVYNONWJNSFH-VIFPVBQESA-N 237.372 2.865 0 40 BFAB C[C@H]1OCC[C@@H]1N[C@H]1c2ccccc2C[C@H]1C 245344109 XPFAXHFIVKNXQW-HKCMKHECSA-N 231.339 2.687 0 40 BFAB COC(=O)c1cccc(OC(C)(C)C)c1 259667958 UFEXFSNJDWWHGR-UHFFFAOYSA-N 208.257 2.651 0 40 BFAB Cc1cc(OC2CCC2)nc(C2CC2)n1 585651003 ICFXDHCDWLVZNB-UHFFFAOYSA-N 204.273 2.594 0 40 BFAB c1nc(OC2CCC2)c2ccsc2n1 585652959 ZXNBIVDTVYEHFV-UHFFFAOYSA-N 206.270 2.623 0 40 BFAB CCc1c(C(C)C)[nH]c2cccc(O)c2c1=O 685938190 FSENVRPQXGUGIK-UHFFFAOYSA-N 231.295 2.920 0 40 BFAB Cc1ccc(C[C@H]2[C@@H](O)CCCN2C(C)C)cc1 1615140129 CKEADNUVZKERED-HOTGVXAUSA-N 247.382 2.771 0 40 BFAB Nc1cccc(Cl)c1N1CC2CC(C2)C1 1772715092 VPWXQPPDVNYXEN-UHFFFAOYSA-N 222.719 2.768 0 40 BFAB OC[C@@]12CCCC[C@H]1CN(Cc1ccccc1)C2 1772715862 CKEIPBZJHXSCTL-HOTGVXAUSA-N 245.366 2.671 0 40 BFAB Clc1cc2ccc(Br)cn2n1 2362797680 XUHQLCIDSXAGCR-UHFFFAOYSA-N 231.480 2.750 0 40 BFAB CC(=O)Nc1ncc(C(F)(F)F)cc1Cl 93306 YAZOMBZNOOXEMG-UHFFFAOYSA-N 238.596 2.712 0 40 BFAB CC[C@@H](C)c1ccc(NS(=O)(=O)CC)cc1 482779 OOWBFBYEOFBUCX-SNVBAGLBSA-N 241.356 2.962 0 40 BFAB O=C1c2ccccc2C2=Cc3ccccc3[C@H](O)N12 1608277 SNSPLORRRRLTSN-HNNXBMFYSA-N 249.269 2.645 0 40 BFAB CCCCOC(=O)CCCC(=O)OCCCC 1684743 ISXDVFNOXYQPIA-UHFFFAOYSA-N 244.331 2.843 0 40 BFAB Oc1ccc(CNc2ccccc2O)cc1 2895911 CUXRKYKPFBCCMM-UHFFFAOYSA-N 215.252 2.710 0 40 BFAB CCOC(=O)c1c(C)n(C)c2ccc(C)cc12 4685292 ANRBCBJXUMZRIP-UHFFFAOYSA-N 231.295 2.972 0 40 BFAB Cc1cc(C)c(C(=O)CCN(C)C)c(C)c1 5064290 DRDSFJKWBUEUQJ-UHFFFAOYSA-N 219.328 2.746 0 40 BFAB CCNC(=O)c1csc(-c2ccccc2)n1 9501316 GPFNPUWUYHMFEX-UHFFFAOYSA-N 232.308 2.560 0 40 BFAB O=C(Nc1ccc(Cl)cn1)c1ccc(O)cc1 20304806 WJSMLJDJHWCVCV-UHFFFAOYSA-N 248.669 2.693 0 40 BFAB CC(C)NCc1ccccc1OC(C)C 32011861 ZFEOYOLYJUMBPE-UHFFFAOYSA-N 207.317 2.972 0 40 BFAB CCOC(=O)c1sc(Cl)nc1Cl 34477256 JZTPULTZZSOXEH-UHFFFAOYSA-N 226.084 2.627 0 40 BFAB O=Cc1cc(Cl)ccc1OC[C@H]1CCCO1 36805071 ZHVPKUKAGOCESM-LLVKDONJSA-N 240.686 2.710 0 40 BFAB CC(C)CCOc1ccc(F)cc1CO 37235009 XEKSQGFMCJXMDF-UHFFFAOYSA-N 212.264 2.743 0 40 BFAB Cc1cccc(C(=O)N(C)Cc2ccc(C)o2)n1 40493357 GFERORISDXGPDX-UHFFFAOYSA-N 244.294 2.564 0 40 BFAB Cc1ccc([C@H](C(=O)O)N2CCCCC2)s1 41677074 GSAGEGUORBPLOE-LLVKDONJSA-N 239.340 2.668 0 40 BFAB CCc1noc([C@@H](C)N2CCC[C@H](CC)C2)n1 42145709 XHUURGPLYNNUSQ-MNOVXSKESA-N 237.347 2.815 0 40 BFAB CCOc1cc(O)cc(Br)c1 42750096 YUZHOUVYLSTTRB-UHFFFAOYSA-N 217.062 2.553 0 40 BFAB O=C(O)c1csc(-c2cc(F)cc(F)c2)n1 43387570 ZFHNVQNCBWPCLB-UHFFFAOYSA-N 241.218 2.787 0 40 BFAB CCOC(=O)Cc1ccc(F)c(Cl)c1 43503463 DHLMEXLIAJBVHT-UHFFFAOYSA-N 216.639 2.585 0 40 BFAB in-vitro COc1cc(C)c(C(=O)C(F)(F)F)c(OC)c1 43505048 ZKPMAYNNLJVIQH-UHFFFAOYSA-N 248.200 2.757 0 40 BFAB Cc1cccc(C(=O)c2ncccc2C)c1 45028656 FXCFQISGFFZWGR-UHFFFAOYSA-N 211.264 2.929 0 40 BFAB Oc1ccc(-c2ccncc2)c(C(F)(F)F)n1 47213830 RCOFQTJHUVDEPI-UHFFFAOYSA-N 240.184 2.868 0 40 BFAB O=C(NCC(F)(F)F)c1cc2c(s1)CCC2 48252053 SMLCBNAGKAEZTI-UHFFFAOYSA-N 249.257 2.529 0 40 BFAB CCn1cc(NC(=O)Nc2cccc(C)c2)cn1 48350699 OKWLKMBFPPLREW-UHFFFAOYSA-N 244.298 2.855 0 40 BFAB CC[C@H](C)NC(=O)CCCc1ccc(OC)cc1 61108293 CGGPBILETXOFRJ-LBPRGKRZSA-N 249.354 2.933 0 40 BFAB CCc1noc2nc(C(C)C)cc(C(=O)O)c12 62710636 ULOHHIHFIAQATI-UHFFFAOYSA-N 234.255 2.607 0 40 BFAB CC(C)N1CCC[C@H]1c1ccc(S)nc1 72217001 RVLVPNUOKWDHEN-NSHDSACASA-N 222.357 2.916 0 40 BFAB CCCCn1ccc([C@@H](C)NCCCOC)c1 78406221 MXNMKEHVEDTUAK-CYBMUJFWSA-N 238.375 2.975 0 40 BFAB Nc1ccc(-c2cccc3cccnc23)cn1 82729998 FXVRAXRQGZGIDT-UHFFFAOYSA-N 221.263 2.879 0 40 BFAB Fc1ccccc1-c1cn2c(n1)NCCC2 84009458 VVRRFXZVWRBCCP-UHFFFAOYSA-N 217.247 2.505 0 40 BFAB O=C(c1ncco1)c1ccccc1Cl 85651114 BYVRPQIWERELMB-UHFFFAOYSA-N 207.616 2.559 0 40 BFAB CCc1ccc(CN2CCC[C@]3(CCOC3)C2)o1 95369022 NYYALCOLBTZNSU-HNNXBMFYSA-N 249.354 2.845 0 40 BFAB CC(C)C(=O)NCc1ccccc1OC1CCC1 96411095 ZMXJZOZAWYEKLU-UHFFFAOYSA-N 247.338 2.890 0 40 BFAB C[C@H](N[C@H](C)C[C@H]1CCCO1)c1ccco1 97016427 KNXQBDBJRRLPMW-GRYCIOLGSA-N 223.316 2.888 0 40 BFAB CC(C)(C)c1n[nH]cc1CNc1ccc(F)cn1 97045332 KXQKVYIDVISXIF-UHFFFAOYSA-N 248.305 2.853 0 40 BFAB C1=C[C@@H]2CC[C@H](C1)N2CCN1[C@H]2C=CC[C@H]1CC2 100564387 FCGKQXQBLOTDIG-JONQDZQNSA-N 244.382 2.572 0 40 BFAB Cc1ccnc(N[C@@H](C)c2nccnc2C)c1 188310376 IGRRYTDTMDSGJH-NSHDSACASA-N 228.299 2.662 0 40 BFAB CCc1ccc([C@H](O)c2cccc(N)c2)cc1 226291568 LERGYBQFLOCURR-HNNXBMFYSA-N 227.307 2.913 0 40 BFAB FCCn1cc(NCc2cccs2)cn1 256051428 JCYVWTUHHZFUHJ-UHFFFAOYSA-N 225.292 2.526 0 40 BFAB CCCCCNCc1ccn(CC(C)C)n1 256052863 OZANXUMGGDMGEA-UHFFFAOYSA-N 223.364 2.819 0 40 BFAB CCc1cccnc1NC(=O)CC1(OC)CCC1 276834077 XETMLACAMGQPDB-UHFFFAOYSA-N 248.326 2.542 0 40 BFAB CCOC(=O)c1nn([C@H](C)CC)cc1Cl 408716880 SEOJYRXUPZZBNR-SSDOTTSWSA-N 230.695 2.684 0 40 BFAB CC1(C)CC(=O)C[C@H](NC(=O)OC(C)(C)C)C1 521398343 UNBAMXRPPJFULU-VIFPVBQESA-N 241.331 2.659 0 40 BFAB C[C@@H]1CCCCN1Cc1c2c(nn1C)CCCC2 637837001 XRJAEYYOVVQECG-GFCCVEGCSA-N 247.386 2.673 0 40 BFAB FC(F)(F)C1(c2ccc3[nH]ncc3c2)N=N1 1504244968 NMORRIKFCCTPCK-UHFFFAOYSA-N 226.161 2.744 0 40 BFAB COC(=O)c1ccc(Cc2ccccc2)o1 244126 DRCHEKVZFGOCNZ-UHFFFAOYSA-N 216.236 2.657 0 40 BFAB CCCS[C@H]1CCCC[C@H]1C(=O)O 1707817 DABOLUKERAQTBU-BDAKNGLRSA-N 202.319 2.773 0 40 BFAB CC(=O)OCC(=O)[C@@]1(C)CC[C@H](C)C1(C)C 3846172 ULLVLIKQBNKVSQ-TVQRCGJNSA-N 226.316 2.581 0 40 BFAB biogenic Cc1nnc(-c2ccccc2)c2noc(C)c12 3849292 KIYGVCNMAWBAES-UHFFFAOYSA-N 225.251 2.902 0 40 BFAB biogenic CCCC(=O)Nc1ccc2[nH]c(C)nc2c1 4901435 KMBCCSBRNCPDEB-UHFFFAOYSA-N 217.272 2.610 0 40 BFAB NC(=S)c1cccc(OCc2ccccc2)c1 6575144 ODFBZXPEUCMTEH-UHFFFAOYSA-N 243.331 2.900 0 40 BFAB Cc1cc(C(C)C)ccc1OCC(=O)O 8730564 SXZXZCYUJAKLEO-UHFFFAOYSA-N 208.257 2.582 0 40 BFAB CCCC(=O)Nc1nonc1-c1ccc(C)cc1 8915697 QQCIEUUZDUOEBP-UHFFFAOYSA-N 245.282 2.784 0 40 BFAB CCCNC(=O)CCc1ccc(CC)cc1 10337701 JAHNMHYYSUQVAU-UHFFFAOYSA-N 219.328 2.708 0 40 BFAB CCCCNC(=O)c1cc2cc(F)ccc2[nH]1 13957614 SYYNCPQSQGEZHG-UHFFFAOYSA-N 234.274 2.837 0 40 BFAB Cc1cc(-c2ccc(Cl)cc2)nc(N)n1 22126577 BJTVDYOSYBZBBT-UHFFFAOYSA-N 219.675 2.688 0 40 BFAB CN[C@@H](C)c1cccc(Br)c1 22177925 NKTLVOQJGRVLEB-ZETCQYMHSA-N 214.106 2.730 0 40 BFAB C[C@H]1C[C@H]1C(=O)Nc1nc(C2CC2)cs1 25560564 QAFGZNIKOOFRDJ-POYBYMJQSA-N 222.313 2.615 0 40 BFAB CCn1c(C)cc(C(=O)NC2CCCC2)c1C 27065139 VZYVRZBQNWTDKP-UHFFFAOYSA-N 234.343 2.797 0 40 BFAB CSCCC(=O)N1CCCCCCC1 32667778 QIYBBMWPIIIPAK-UHFFFAOYSA-N 215.362 2.532 0 40 BFAB O[C@H](CNC1CCCCC1)c1ccccc1F 33466092 BIAWNTOMOOZOSJ-CQSZACIVSA-N 237.318 2.781 0 40 BFAB CCC(=O)N[C@@H](C)c1ccc(SC)cc1 36392887 XRCDKEPVHYMGTG-VIFPVBQESA-N 223.341 2.996 0 40 BFAB C[C@@H]1CCC[C@H](NCC(=O)Nc2ccccc2)C1 37255562 SSUSCBWROCZONY-OCCSQVGLSA-N 246.354 2.793 0 40 BFAB Cc1ccc(C(=O)N(Cc2ccco2)C2CC2)o1 40497019 JPQVBBATHLBYMG-UHFFFAOYSA-N 245.278 2.986 0 40 BFAB Cc1ccnc(C(=O)c2cccc(F)c2F)c1 45028627 AGCRHEJEARBMAZ-UHFFFAOYSA-N 233.217 2.899 0 40 BFAB CN[C@@H]1CCc2cc(Br)ccc21 48449751 FPWFSFCOYKIKMO-SNVBAGLBSA-N 226.117 2.656 0 40 BFAB Cc1ccc(CN[C@H]2CCCC[C@@H]2O)c(C)c1 51989806 RCKNVDMYRRKLSE-GJZGRUSLSA-N 233.355 2.697 0 40 BFAB O=C(c1ccccc1)[C@@H]1N[C@H]1c1ccccc1 57211576 SUHPZGRFOCEHTL-UONOGXRCSA-N 223.275 2.582 0 40 BFAB in-vitro Cc1cccc(C[S@@](=O)Cc2cc(C)on2)c1 64811481 QTNSKNLGOQVQCZ-KRWDZBQOSA-N 249.335 2.740 0 40 BFAB Clc1cccc(C[n+]2ccccc2)c1 68585856 BKWPTBOQBKKMPS-UHFFFAOYSA-N 204.680 2.676 0 40 BFAB C[C@H](CC(=O)Nc1ccccc1)[C@H]1CCCNC1 72208249 MPUZAHBAHORFIS-OLZOCXBDSA-N 246.354 2.651 0 40 BFAB CC(C)N1CCC[C@@H]1c1ccc(N(C)C)nc1 72212595 KMYVJJVCVBFYBP-CYBMUJFWSA-N 233.359 2.693 0 40 BFAB Cc1ncsc1/C=C1\C(=O)Nc2ccccc21 78692100 FYPGUDIMWNDDGO-POHAHGRESA-N 242.303 2.944 0 40 BFAB CC(C)[C@H]1Nc2cc(Cl)ccc2NC1=O 82361140 YIOSQHYRDWEKAJ-SNVBAGLBSA-N 224.691 2.729 0 40 BFAB O=C(c1cnn(C2CCCCC2)c1)N1CCCC1 89764457 KWCWNDLQYGWGMB-UHFFFAOYSA-N 247.342 2.624 0 40 BFAB CCOC(=O)CC1=NC(C)(C)Cc2ccccc21 100295158 MUUCLQTWLNACQF-UHFFFAOYSA-N 245.322 2.764 0 40 BFAB CN(C(=O)[C@H]1C[C@H]2C=C[C@H]1C2)c1ccccc1 102254112 FJXJWAXUELQVHU-OBJOEFQTSA-N 227.307 2.862 0 40 BFAB O=C(Cc1ccccc1)OC[C@@H]1C[C@H]2C=C[C@H]1C2 104365156 MYZMQJUPBPHYEW-KKUMJFAQSA-N 242.318 2.985 0 40 BFAB COc1cccc(CN2C[C@H]3CCC[C@H]3C2)c1 154325567 DTQJERQLXVUJAM-OKILXGFUSA-N 231.339 2.927 0 40 BFAB CC(C)Cc1c(O)c2cc(F)ccc2[nH]c1=O 204989890 QGTUUVKJCXSBLG-UHFFFAOYSA-N 235.258 2.571 0 40 BFAB OCc1cccn1-c1ccc(F)cc1Cl 223732264 OUOMGWXZTNEWFA-UHFFFAOYSA-N 225.650 2.762 0 40 BFAB CC(C)(C)c1ccc(OCC2CC2)nn1 585652347 LZLZJFHOUGOKMW-UHFFFAOYSA-N 206.289 2.563 0 40 BFAB COC(=O)c1cccc2ncc(Cl)cc12 1504072219 AWQACRGMRLFBFW-UHFFFAOYSA-N 221.643 2.675 0 40 BFAB O=c1cc(C(F)(F)F)oc2cccc(O)c12 1888914709 BUGRHAYNVFBNID-UHFFFAOYSA-N 230.141 2.517 0 40 BFAB CCc1cccc(NC(=O)c2cnoc2C)c1 385573 YPGTVRHSCZFVGK-UHFFFAOYSA-N 230.267 2.798 0 40 BFAB COc1ccc(NC(=O)/C=C/c2ccco2)cc1 575138 WKHUUVJYCHLEKU-CMDGGOBGSA-N 243.262 2.940 0 40 BFAB N=C(N)c1c(Cl)cc(Cl)cc1Cl 1442847 XCBSCVLZFUKVOY-UHFFFAOYSA-N 223.490 2.931 0 40 BFAB Cc1cccnc1C[C@@H](O)c1ccccc1 1675477 SKZOTGYAVIPHBM-CQSZACIVSA-N 213.280 2.666 0 40 BFAB C[C@@H](N)CCCCCCCCC(=O)O 2139138 DWHXNKJKNIHNOI-SNVBAGLBSA-N 201.310 2.539 0 40 BFAB biogenic O=C(O)C12CCCC(Br)(CCC1)C2 4851885 CJKPINKQQPHFDS-UHFFFAOYSA-N 247.132 2.949 0 40 BFAB Cn1c(C(=O)O)cc2oc3ccccc3c21 5135128 UUSXEARRGXHGON-UHFFFAOYSA-N 215.208 2.623 0 40 BFAB CC1CCC(NC(=O)Cc2ccccc2)CC1 6263602 IAKSZZQXAYZJMI-UHFFFAOYSA-N 231.339 2.924 0 40 BFAB CC(C)c1ccc(CCC(=O)N(C)C)cc1 10324624 IYSYHQPHMHEEFM-UHFFFAOYSA-N 219.328 2.831 0 40 BFAB COc1ccc(C2O[C@@H](C)[C@@H](C)O2)cc1OC 12402972 XIQKORYUHHGFBK-PHXKMMTBSA-N 238.283 2.526 0 40 BFAB C/C(=C1\C(=O)Nc2ccccc21)c1cccnc1 13207749 YQGXNIFBCURDSC-GXDHUFHOSA-N 236.274 2.964 0 40 BFAB O=Cc1c(-c2ccc(F)cc2)nc2n1CCS2 14808101 GKESSEWVCUOPBP-UHFFFAOYSA-N 248.282 2.607 0 40 BFAB O=[N+]([O-])/C=C\c1ccc(Br)cc1 16921622 LSGVHLGCJIBLMB-WAYWQWQTSA-N 228.045 2.697 0 40 BFAB CC(=O)CC(=O)Nc1ccc2nc(C)sc2c1 19412526 FCVNZOTZZDFWSY-UHFFFAOYSA-N 248.307 2.522 0 40 BFAB in-vitro Cc1cccc(NC(=O)c2cnc(C)nc2C)c1 19936934 NSFSJMWMFAORFQ-UHFFFAOYSA-N 241.294 2.654 0 40 BFAB CC(C)(C)CC(=O)Nc1ccc(N)cc1F 20157267 GWCNASOPSNHKGH-UHFFFAOYSA-N 224.279 2.783 0 40 BFAB Cc1ccccc1[C@H](C)NC(=O)[C@@H]1C[C@H]1C 32978733 ZVUZXWSXXTVAGZ-NTZNESFSSA-N 217.312 2.828 0 40 BFAB O=C(O)c1cc(Cl)c(F)c(Cl)c1F 34090721 SHLNHUHKYANNLC-UHFFFAOYSA-N 226.993 2.970 0 40 BFAB CCOC(=O)C(F)(F)Sc1ccccc1 34457642 SAUWUIZUUFYXCS-UHFFFAOYSA-N 232.251 2.935 0 40 BFAB Nc1ncc2ccccc2c1Br 35155479 AXCRSCRLCCCIJP-UHFFFAOYSA-N 223.073 2.580 0 40 BFAB in-vitro Clc1ccc(OC[C@@H]2CCNC2)c(Cl)c1 42772307 HIHZRVLMCOGOFI-MRVPVSSYSA-N 246.137 2.982 0 40 BFAB Fc1ccc(OCC[C@H]2CCCNC2)c(F)c1 42773519 VQMHQQRSHCFXLV-SNVBAGLBSA-N 241.281 2.733 0 40 BFAB CCN(CC)C(=O)COc1c(C)cccc1C 49890849 ZTCXYFVZITZTJG-UHFFFAOYSA-N 235.327 2.551 0 40 BFAB C[C@H](NC1CCCCC1)C(=O)OC(C)(C)C 64219170 ATFTUHMGMWYQPO-JTQLQIEISA-N 227.348 2.639 0 40 BFAB C[C@@H](NC(=O)OC(C)(C)C)c1ccc(O)cc1 71118684 LTCGADYUJGMDCF-SECBINFHSA-N 237.299 2.978 0 40 BFAB CCCN1CCC[C@H]1c1cnccc1C 72211400 LUVZOPHKIFDYFE-ZDUSSCGKSA-N 204.317 2.937 0 40 BFAB Brc1ncccc1C1=NCCCC1 72211622 SPRFGPPOZSASIW-UHFFFAOYSA-N 239.116 2.817 0 40 BFAB Cc1ccc(NC(=O)C2CCC2)c(CN(C)C)c1 78704134 KWHPHZSFCBJTSF-UHFFFAOYSA-N 246.354 2.795 0 40 BFAB Cc1cccc(NCc2ncc(C)o2)c1 79065281 SNDGAMOZGPUWFH-UHFFFAOYSA-N 202.257 2.904 0 40 BFAB CN(C)C(=O)Nc1ccc(OC(F)(F)F)cc1 82255668 ILHGPXQFQPJDQV-UHFFFAOYSA-N 248.204 2.679 0 40 BFAB CCc1nc([C@H](C)NC(=O)C2CCC2)cs1 83830251 NJKIBHJXHSNWLE-QMMMGPOBSA-N 238.356 2.683 0 40 BFAB Cc1cc(NC(=O)/C=C/C2CC2)cnc1Cl 85312203 SYFNMGCTGBMAMM-SNAWJCMRSA-N 236.702 2.948 0 40 BFAB C[C@@H](OC[C@H]1CO1)c1ccccc1Cl 95096298 VXMLTYLWVSYVCV-BDAKNGLRSA-N 212.676 2.816 0 40 BFAB O=C(O)CCN1CCCC[C@H]1Cc1ccccc1 95397878 CUQUKODVZFIOCW-AWEZNQCLSA-N 247.338 2.558 0 40 BFAB CNC(=O)c1nc(-c2ccccc2)oc1C1CC1 98111222 SKESARGZGVVDEI-UHFFFAOYSA-N 242.278 2.579 0 40 BFAB Cn1c(Cl)cc(-c2ccccc2)cc1=O 98178538 LWSYVPRXZRNDHW-UHFFFAOYSA-N 219.671 2.706 0 40 BFAB O=C1C[C@@H]2C=C[C@@H]1c1c(F)c(F)c(F)c(F)c12 100915379 FUFUJGSFBQQDOY-WHFBIAKZSA-N 242.171 2.953 0 40 BFAB CN(C(=O)OCC(F)(F)F)C1CCCCC1 106002735 KLOWEDREXXZHBX-UHFFFAOYSA-N 239.237 2.950 0 40 BFAB in-vitro CC(C)O[C@@H](Cc1cccc(Cl)c1)C(=O)O 220801301 YMKACBRRHFRNMS-NSHDSACASA-N 242.702 2.761 0 40 BFAB CC(C)=C(F)c1nc(-c2ncoc2C)no1 334707863 AMTPRMYJEYEWIM-UHFFFAOYSA-N 223.207 2.753 0 40 BFAB Cc1cc(Cl)cc2sc3nncn3c12 514251855 CGZUMUOXOQDFKW-UHFFFAOYSA-N 223.688 2.906 0 40 BFAB Cc1c(Cl)c2ccccc2n(C)c1=O 164059 VSJVLABFTPAJQC-UHFFFAOYSA-N 207.660 2.500 0 40 BFAB FC(F)(F)c1nc(Cl)c2ncsc2n1 1687791 VFKDPWJTSAHXRQ-UHFFFAOYSA-N 239.609 2.759 0 40 BFAB CC(C)OC(=O)COc1ccc(Cl)cc1 1733072 RDUMUXSLQNRSAF-UHFFFAOYSA-N 228.675 2.670 0 40 BFAB CCCC(=O)Nc1ccc(OCC)cc1 1867057 FAPBNZGKOCMULQ-UHFFFAOYSA-N 207.273 2.824 0 40 BFAB CC(=O)Nc1cc(F)c(C)cc1Br 2512279 CDZJGINMADFXJG-UHFFFAOYSA-N 246.079 2.855 0 40 BFAB O=C(Cc1ccc(Cl)cc1Cl)NC1CC1 5062280 MICAOVQSXLZOFH-UHFFFAOYSA-N 244.121 2.815 0 40 BFAB Cc1ccc(Cc2nnc(S)o2)cc1C 8732359 QYYALQDXIIFKSC-UHFFFAOYSA-N 220.297 2.566 0 40 BFAB Cc1occc1-c1nc2n(n1)C[C@@H]1C=CC=C[C@@H]21 11667645 IEKXYVIWLVCFPS-CMPLNLGQSA-N 239.278 2.686 0 40 BFAB Cc1ccc(C)c(-c2cc(C(=O)O)no2)c1 11801724 ITPIYDSXRNGMAX-UHFFFAOYSA-N 217.224 2.657 0 40 BFAB CC[C@H](C)NC(=O)Cc1ccccc1Cl 12932675 KFHWXVXOEVDERS-VIFPVBQESA-N 225.719 2.797 0 40 BFAB N=C(N)c1ccccc1OCc1ccccc1 19441191 YPRKIADCXYBSLE-UHFFFAOYSA-N 226.279 2.550 0 40 BFAB in-vitro CCC[C@H](NCCOC)c1ccccc1 19881787 CWSXJXVSNBKFAV-ZDUSSCGKSA-N 207.317 2.764 0 40 BFAB CCc1ccc(C(=O)NCc2ccccn2)s1 20212937 GZGMITHMKGXKGV-UHFFFAOYSA-N 246.335 2.636 0 40 BFAB COc1cc(NC(=O)C=C(C)C)cc(OC)c1 22928381 GFJMXWHQCBJZJH-UHFFFAOYSA-N 235.283 2.609 0 40 BFAB Cc1nc2ccc(NC(=O)[C@H]3C[C@H]3C)cc2o1 32752869 ZKSMESAMZDKAQV-XCBNKYQSSA-N 230.267 2.731 0 40 BFAB CCOc1cc(CNC)ccc1OCC(C)C 34652332 VNLQVFXSXXCKDH-UHFFFAOYSA-N 237.343 2.840 0 40 BFAB CC(=O)c1ccc(O[C@@H]2CCCCO2)cc1O 35904929 IWZBNLQMMUTGFS-CYBMUJFWSA-N 236.267 2.500 0 40 BFAB in-vitro N=C(N)c1ccc(SC(F)(F)F)cc1 36893262 YUCJTPBAIPBPRX-UHFFFAOYSA-N 220.219 2.583 0 40 BFAB Oc1c(F)cc(Br)c(F)c1F 38881764 ZFHGAOPLTHSAQQ-UHFFFAOYSA-N 226.979 2.572 0 40 BFAB Cc1cccc(C(=O)N[C@@H](C)c2ccc(C)o2)n1 40051422 KWDDZZDDTVZVGX-NSHDSACASA-N 244.294 2.782 0 40 BFAB C/C=C/C=C/C(=O)N(C)Cc1ccc(OC)cc1 40460038 VBHAXRBJBQKJQH-YTXTXJHMSA-N 245.322 2.786 0 40 BFAB C[C@H](Sc1nccn1C)c1cccc(N)c1 40908580 WAGIIXPVQHVZRC-VIFPVBQESA-N 233.340 2.856 0 40 BFAB CCC(CC)NC(=O)Cc1ccccc1F 41295381 QMJCEPVSPCIKRE-UHFFFAOYSA-N 223.291 2.673 0 40 BFAB FC(F)(F)c1ccccc1O[C@H]1CCCNC1 42776186 BKZFRAWJTDDJRV-VIFPVBQESA-N 245.244 2.836 0 40 BFAB O=C(NCCc1cccs1)Nc1ccccn1 43309842 JJDJQKFMBINUET-UHFFFAOYSA-N 247.323 2.507 0 40 BFAB O[C@@H](c1c(F)cccc1F)C(F)(F)F 43367804 RSGKVSXJCHRZMA-ZETCQYMHSA-N 212.117 2.561 0 40 BFAB Cc1cc(C(=O)NCCCC2CCCC2)on1 44633170 MAKNOPQVAWDZOY-UHFFFAOYSA-N 236.315 2.683 0 40 BFAB CCCNC(=O)Cc1ccc(C(F)(F)F)cc1 53460166 OCKHAHCWDAJMKU-UHFFFAOYSA-N 245.244 2.774 0 40 BFAB COC(=O)/C=C/c1ccc(C(C)C)cc1 57652004 LEXDXRCVVQYSIJ-RMKNXTFCSA-N 204.269 2.996 0 40 BFAB C[C@H](Cc1ccccc1OC(F)(F)F)C(=O)O 62711279 LZERBUUDERWDLT-SSDOTTSWSA-N 248.200 2.848 0 40 BFAB Cc1cccc(NCCc2n[nH]c(C3CC3)n2)c1 62719182 KKRCXXYMNVHJSC-UHFFFAOYSA-N 242.326 2.645 0 40 BFAB Cc1ccn(CCCOc2ccccc2)c(=O)c1 71513655 CGENSWHCZRDTNJ-UHFFFAOYSA-N 243.306 2.626 0 40 BFAB Cc1cc(N2CCCC2)ncc1[C@H]1CCCCN1 72218873 NWAGEHPWJPVOLB-CQSZACIVSA-N 245.370 2.805 0 40 BFAB CCOc1cc(C(=O)NC2CC2)cc2occc12 72240127 HMHYOWXGNSTBNA-UHFFFAOYSA-N 245.278 2.724 0 40 BFAB COc1ccc2c(C(C)=O)c(O)ccc2c1 75626045 RZUQAJQUXBAWFL-UHFFFAOYSA-N 216.236 2.757 0 40 BFAB O=C(O)c1[nH]nc2ccc(Cl)c(Cl)c12 76677983 HBSOKMAQOIKMAB-UHFFFAOYSA-N 231.038 2.568 0 40 BFAB O=C1NCc2cccc(-c3ccc(F)cc3)c21 80443323 WSGLQDFFGQODMX-UHFFFAOYSA-N 227.238 2.736 0 40 BFAB in-vitro O=C(O)c1cccc(Nc2cccnc2)c1 82714536 FUWQYWFYRHZQBK-UHFFFAOYSA-N 214.224 2.523 0 40 BFAB CC[C@H](C)C(=O)c1cc(OC)cc(OC)c1 87124022 GOFWMKZHSWKKPS-VIFPVBQESA-N 222.284 2.933 0 40 BFAB Cc1cccc(-n2ncc3c2CCCC3=O)c1 87861672 TVMINGPCOIFLHR-UHFFFAOYSA-N 226.279 2.700 0 40 BFAB CC(=O)c1ccc(N(C)Cc2ccccc2)nc1 89331238 GXZZNOPUCWXWIZ-UHFFFAOYSA-N 240.306 2.921 0 40 BFAB Cn1cc(-c2csc(-c3ccoc3)n2)cn1 89756598 JVTMVNUDKBGFAR-UHFFFAOYSA-N 231.280 2.804 0 40 BFAB COc1cc(C(=O)O)c(F)c(C(F)(F)F)c1 91252096 OVJKRERPBULYBW-UHFFFAOYSA-N 238.136 2.551 0 40 BFAB O=C1CCCc2c(Br)cccc2N1 91301241 VTTMGWBZSGXBTC-UHFFFAOYSA-N 240.100 2.724 0 40 BFAB O=C(O)/C=C\c1ccnc2c(Cl)cccc12 91364524 WGGJQKJWPLYDTQ-PLNGDYQASA-N 233.654 2.986 0 40 BFAB CC(=O)N1CCC(=Cc2ccccc2)CC1 95408089 WAPKLXHNKSVMRA-UHFFFAOYSA-N 215.296 2.712 0 40 BFAB CCOC(=O)[C@H]1CCC[C@H]1NC1CCCCC1 95919672 IUMVOSJRWKNYJX-QWHCGFSZSA-N 239.359 2.641 0 40 BFAB CO[C@H](CNC(=O)C1CCC1)c1ccccc1C 96104904 PNIYJPIHYPVSTK-CQSZACIVSA-N 247.338 2.599 0 40 BFAB Fc1cccc(-c2n[nH]c3c2[C@H]2CC[C@@H](C3)N2)c1 96510276 BRQQYIVRYHCCQP-WDEREUQCSA-N 243.285 2.565 0 40 BFAB C=CC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 103187397 MDWQNOXVTFEMCR-MFKMUULPSA-N 207.317 2.600 0 40 BFAB NN[C@@H](c1ccccc1)c1ccc(F)c(F)c1 161806375 ODJDLAICECRVBR-ZDUSSCGKSA-N 234.249 2.518 0 40 BFAB CC(C)c1cc(N)cc(Br)c1O 216738365 BSCDGUZTGPPCAH-UHFFFAOYSA-N 230.105 2.860 0 40 BFAB CCC[C@@H](C)NC(=S)Nc1ccc(C)cn1 225384310 RHXHRLUDEOGWET-SNVBAGLBSA-N 237.372 2.865 0 40 BFAB Cc1cc(NCC(C)C)nn1CC(C)C 256052485 NMRCCCFJFPHWHL-UHFFFAOYSA-N 209.337 2.915 0 40 BFAB Cc1ccc2c(c1)NC[C@H](CCCC(=O)O)C2 256054233 VNBOLEPMUNZGIC-LLVKDONJSA-N 233.311 2.834 0 40 BFAB Cc1oncc1CN1CCC(=C2CC2)CC1 575606911 OUPVWFOAAQENNO-UHFFFAOYSA-N 218.300 2.669 0 40 BFAB CC(C)(C)[C@H]1COC(c2ccc(Cl)cn2)=N1 1988188016 JFAYSLQIISQWOE-SNVBAGLBSA-N 238.718 2.927 0 40 BFAB COC(=O)c1sc2ccccc2c1NC(C)=O 190377 PBMJKDLUNBJHDK-UHFFFAOYSA-N 249.291 2.646 0 40 BFAB COc1ccc2c(c1)C(C)(C)C(C)=[N+]2C 314635 ZWPFAYZOOHEDCH-UHFFFAOYSA-N 204.293 2.721 0 40 BFAB C[C@@H]1CN(C)c2ccccc2-[n+]2ccsc21 384211 KWSOZRJUHLMVPG-SNVBAGLBSA-N 231.344 2.578 0 40 BFAB CCN(CC)[C@H](C)C(=O)Nc1c(C)cccc1C 3602140 MAODNVTZUXOBNL-CYBMUJFWSA-N 248.370 2.972 0 40 BFAB CC1=CC=C[C@@H]2Cc3ccccc3C(=O)N12 3847882 LIJSIYGBGNQHRZ-GFCCVEGCSA-N 211.264 2.527 0 40 BFAB biogenic CCOc1ccc(N2N=C(C)CCC2=O)cc1 4683334 RCWWEUNTXNTZAG-UHFFFAOYSA-N 232.283 2.588 0 40 BFAB C/C=C/C(=O)OCc1ccccc1Cl 5020742 CDJFNSXUIGKURZ-GORDUTHDSA-N 210.660 2.959 0 40 BFAB c1ccc(C(c2ccccc2)n2cncn2)cc1 15773472 JSUBMVCFGBTKEB-UHFFFAOYSA-N 235.290 2.916 0 40 BFAB Cc1ccc(NC(=O)c2ccoc2)cc1F 16206278 UXBOVHYGAXPHSY-UHFFFAOYSA-N 219.215 2.979 0 40 BFAB Cc1c(C(=O)O)cccc1-c1ccc(C(=O)O)o1 16249942 SNWLSSJIYPAMIS-UHFFFAOYSA-N 246.218 2.651 0 40 BFAB O=C(Nc1ccc2ncccc2c1)c1cccnc1 18192663 XRQKZEWDRIVYQH-UHFFFAOYSA-N 249.273 2.882 0 40 BFAB CCN[C@@H](C(=O)OCC)c1ccc(Cl)cc1 19230085 XBZNQKXFGBLBGI-LLVKDONJSA-N 241.718 2.554 0 40 BFAB in-vitro CC(=O)c1ccc(OCc2cc(C)on2)cc1 20253771 BHJCUQQIUUPIGX-UHFFFAOYSA-N 231.251 2.765 0 40 BFAB CSc1nnc(COc2cccc(C)c2)o1 20760064 ARCHPXCCGPQDIU-UHFFFAOYSA-N 236.296 2.679 0 40 BFAB Cc1cccc(NC(=O)c2cncs2)c1 22073172 LHNKDALUXQWEEZ-UHFFFAOYSA-N 218.281 2.704 0 40 BFAB COc1ccc(-c2cnc(Cl)[nH]2)cc1 22126118 BWFVERBAHUIHDR-UHFFFAOYSA-N 208.648 2.739 0 40 BFAB Cc1ccc(C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1N 22215554 RIHQBTAHEKTURT-RYUDHWBXSA-N 246.354 2.980 0 40 BFAB CCCN(Cc1cccnc1)CC1CC1 23281816 GTXBVWSAIOFJGL-UHFFFAOYSA-N 204.317 2.704 0 40 BFAB Cc1ccc(NC(=O)C2CC2)c2cccnc12 31091790 WTWQFRPMHGXZBY-UHFFFAOYSA-N 226.279 2.892 0 40 BFAB COCc1ccccc1C(=O)NC1CCCC1 31874143 QUVNSUBYDZRRDJ-UHFFFAOYSA-N 233.311 2.505 0 40 BFAB Cc1nc(C(C)C)sc1C(=O)NC(C)C 32924008 HAVAIFWBOUHCPU-UHFFFAOYSA-N 226.345 2.713 0 40 BFAB CCSCC(=O)c1ccccc1OC 37353218 UANDOAOWTLNPCO-UHFFFAOYSA-N 210.298 2.631 0 40 BFAB CC1=C[C@@H](C)[C@@]2(CO)CO[C@@H](C(C)C)[C@@H]1[C@H]2C 38549563 BNAPJYMSXNSYQF-NIFZNCRKSA-N 238.371 2.868 0 40 BFAB COCCSc1nccn1-c1ccccc1 40493534 VYCZKWSKELIPEU-UHFFFAOYSA-N 234.324 2.611 0 40 BFAB Cc1ccc(NCc2ncccn2)cc1F 54459004 XOEOHCYJDWVUER-UHFFFAOYSA-N 217.247 2.536 0 40 BFAB CCN(CC)c1ccc([C@H]2C[C@@H]2C(=O)O)cc1 62494904 NJIHMBLXLQEENL-OLZOCXBDSA-N 233.311 2.721 0 40 BFAB O=Cc1ccccc1OCCC(F)(F)F 70206469 LUTYXLWOEBPNEL-UHFFFAOYSA-N 218.174 2.830 0 40 BFAB CC(=O)c1ncc(C(F)(F)F)cc1Cl 71873571 UJXXBJRNTFTYRK-UHFFFAOYSA-N 223.581 2.956 0 40 BFAB in-vitro CC[C@@H](C)[C@H](N)c1nnc(-c2ccccc2)o1 72210625 MXBAYESEGFWNGW-KOLCDFICSA-N 231.299 2.783 0 40 BFAB COc1ncccc1[C@@H]1CCCN1CC(C)C 72211725 XYNCKLPODRTNMQ-ZDUSSCGKSA-N 234.343 2.883 0 40 BFAB CC(=O)N1CCC[C@H]1c1ccc(Cl)nc1C 72217893 YDBSAUGIVZMETL-NSHDSACASA-N 238.718 2.727 0 40 BFAB CCCC(=O)N1CCC[C@@H](c2cccc(C)n2)C1 72350755 YDTPRHKOVIIYPC-CYBMUJFWSA-N 246.354 2.896 0 40 BFAB O=C(O)c1c(Br)oc2c1CCCC2 85399216 OZEUATGMGDKQBA-UHFFFAOYSA-N 245.072 2.619 0 40 BFAB Cc1csc(N(C(=O)[C@@H]2C[C@@H]2C)C2CC2)n1 89705678 PYSKWZIICCLNKU-OIBJUYFYSA-N 236.340 2.603 0 40 BFAB c1ccc(CNc2nnc(C3CC3)o2)cc1 95976659 HMIBWKSSZWOBLV-UHFFFAOYSA-N 215.256 2.559 0 40 BFAB Clc1ccc(COC2CC3(CNC3)C2)cc1 96509078 YAGLTDXNQUDOHK-UHFFFAOYSA-N 237.730 2.609 0 40 BFAB CC(C)COc1ccc(Br)nc1 98175420 OHKSWILVIOGZMI-UHFFFAOYSA-N 230.105 2.879 0 40 BFAB CN(C)[C@H]1CCCC[C@@H](N(C)C)CCCC1 100357294 VQFBHHBERXAYKU-HDJSIYSDSA-N 226.408 2.981 0 40 BFAB CCOC[C@H]1C(=O)[C@]2(C)CC[C@@H]1C2(C)C 100366320 SMFWSVXVEULEDG-NRUUGDAUSA-N 210.317 2.664 0 40 BFAB C=CC(=O)N[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C 100959365 YBIUHEWITUKHPU-CWSCBRNRSA-N 207.317 2.503 0 40 BFAB Cc1ccc([C@@H](O)C(F)(F)F)c(F)c1 107767401 YDVIIOACJUXBHP-MRVPVSSYSA-N 208.154 2.730 0 40 BFAB CCCC(=O)Nc1cc(N)ccc1N1CCCC1 226255471 SOQSXCVIPLRKAO-UHFFFAOYSA-N 247.342 2.608 0 40 BFAB Oc1ccc(Br)c2ccncc12 258151752 ASEOSMQJCKDQAA-UHFFFAOYSA-N 224.057 2.703 0 40 BFAB O=C(c1ccc2cc[nH]c2c1)N1CC[C@H](CF)C1 711494272 YQQBBBNNZIMNCY-SNVBAGLBSA-N 246.285 2.600 0 40 BFAB Cc1cc(C)n(C(=O)Oc2ccccc2)n1 344685 CSGMQNGUGKPWII-UHFFFAOYSA-N 216.240 2.547 0 40 BFAB C[C@H](OCc1ccc(F)cc1)n1ccnc1 378151 CQUFGKPTGWLZKG-JTQLQIEISA-N 220.247 2.758 0 40 BFAB CC(C)C(=O)N1CCCc2ccccc21 1456461 GBJWLCKQOWMWRB-UHFFFAOYSA-N 203.285 2.622 0 40 BFAB Nc1c2c(nc3cc(Cl)ccc13)CCCC2=O 1461597 YTFJCNVHRDEWJN-UHFFFAOYSA-N 246.697 2.989 0 40 BFAB CCCCOC(=O)c1ccccc1OC 1586775 PEPUAWXAGBAMGU-UHFFFAOYSA-N 208.257 2.652 0 40 BFAB CC[C@H](Cc1ccc(OC)cc1)C(C)=O 1679192 PUXHHMSZRLEVFQ-GFCCVEGCSA-N 206.285 2.853 0 40 BFAB Cc1cc(C)n(C(=O)/C=C/c2ccc(C)o2)n1 4145012 FYSUNZZDHDGLHF-VOTSOKGWSA-N 230.267 2.755 0 40 BFAB c1ccc2sc(NCCN3CCCC3)nc2c1 4968547 NNJQINVVFIUSMB-UHFFFAOYSA-N 247.367 2.804 0 40 BFAB CCC1=NO[C@@H](C(=O)OCc2ccccc2)[C@H]1C 5759411 SUXYPBVJSUHVBJ-GXFFZTMASA-N 247.294 2.531 0 40 BFAB COC(=O)c1cccc2[nH]c3c(c12)CCCC3 6657984 LVQSBFDBVJYCMI-UHFFFAOYSA-N 229.279 2.833 0 40 BFAB CCc1ccc(CNCc2ccccn2)cc1 6870939 IVHBILNBONGFNR-UHFFFAOYSA-N 226.323 2.934 0 40 BFAB O=C(N[C@@H]1CCCc2occc21)c1ccco1 12924200 KOGNRAKSZBWUJI-SNVBAGLBSA-N 231.251 2.680 0 40 BFAB COc1ccc([C@@H]2CN[C@H]3CCC[C@@H]32)cc1 19553963 IOHDMJKBWKLGRB-RDBSUJKOSA-N 217.312 2.551 0 40 BFAB OCCCOc1cccc(Cl)c1Cl 19786185 DMGSQMZSQDOOIS-UHFFFAOYSA-N 221.083 2.755 0 40 BFAB COc1ccc(NC[C@@H]2CCCO2)cc1Cl 20041162 RFQNEKFLYMSVJL-JTQLQIEISA-N 241.718 2.940 0 40 BFAB C[C@@H]1Cc2ccccc2N1C(=O)c1ccccn1 20836771 OXKJXUQNSHUJBF-LLVKDONJSA-N 238.290 2.673 0 40 BFAB Cc1ccc(-n2nc(C)c(C=O)c2C)cc1C 26509830 JXHCHQJFYUQBSQ-UHFFFAOYSA-N 228.295 2.918 0 40 BFAB CSCC(=O)N1CCC[C@H]1c1ccccc1 32904122 NBGYNUYTVICHBA-LBPRGKRZSA-N 235.352 2.713 0 40 BFAB Nc1cccc(-c2noc(C3CCC3)n2)c1 35697100 FPNWAEPWAWPPKQ-UHFFFAOYSA-N 215.256 2.586 0 40 BFAB COc1ccc(Cl)c2c(N)cc(C)nc12 36075650 ZDFWKLFHRVGVTE-UHFFFAOYSA-N 222.675 2.787 0 40 BFAB C=CC(=O)N[C@@H](C)c1ccccc1OC(C)C 37014387 WYLRTDBPPLUZHU-NSHDSACASA-N 233.311 2.837 0 40 BFAB Clc1cc(-c2ccccn2)nc(Cl)n1 38579938 VONHTGNOEMMNQQ-UHFFFAOYSA-N 226.066 2.845 0 40 BFAB in-vitro Cc1cccc(OCCCNC(=O)CC(C)C)c1 40013533 FKGOWDNANPSBAE-UHFFFAOYSA-N 249.354 2.926 0 40 BFAB Cc1ccc(-c2c(N)n[nH]c2C2CC2)cc1 41227024 BXWQOUUOWMGVOY-UHFFFAOYSA-N 213.284 2.845 0 40 BFAB COc1ccccc1C(=O)c1ccc(O)cc1 41249657 BKGKCRVOQOWLQA-UHFFFAOYSA-N 228.247 2.632 0 40 BFAB CC(C)c1nc(CC(=O)NC(C)(C)C)cs1 42795091 UEKXDYFGWWLBBL-UHFFFAOYSA-N 240.372 2.724 0 40 BFAB NCC1CCN([C@@H]2CCCc3ccccc32)CC1 44512142 QOYIBOVQLPGCHK-MRXNPFEDSA-N 244.382 2.735 0 40 BFAB C[C@H](c1ccccn1)N(C)C(=O)NCC1CCC1 68397784 RDVDUQUECBEBHQ-LLVKDONJSA-N 247.342 2.584 0 40 BFAB CCOc1ncccc1[C@@H]1CCCN1CC 72211831 LDGWWEVEMRHSMH-LBPRGKRZSA-N 220.316 2.637 0 40 BFAB O=Cc1ccc(O)cc1OCc1ccccc1 72219727 OXGHTGSTZMSSRP-UHFFFAOYSA-N 228.247 2.784 0 40 BFAB COC(=O)CSCc1cc(C)cc(C)c1 82237506 YMQYLEXOAYYKHK-UHFFFAOYSA-N 224.325 2.710 0 40 BFAB CC1=CCC[C@H](C)[C@H]1CNCCc1cnn(C)c1 95986279 PNXSNWCXZZSDDH-ZFWWWQNUSA-N 247.386 2.545 0 40 BFAB c1cc2c(s1)CCN(C[C@@H]1CCCCO1)C2 123469835 VZVXGLPJSXALMJ-LBPRGKRZSA-N 237.368 2.675 0 40 BFAB COc1cccc(/C=C/c2ccncn2)c1F 195503080 WJEUFJOSIREAOG-AATRIKPKSA-N 230.242 2.795 0 40 BFAB CC(C)c1cccc(I)n1 208356939 FBSZYQJMHDDSHA-UHFFFAOYSA-N 247.079 2.810 0 40 BFAB OCc1cccn1-c1cccc(Cl)c1 223726987 PTHVCRWGDNKQGS-UHFFFAOYSA-N 207.660 2.623 0 40 BFAB CCCNc1ncc(Br)cc1F 233203380 ZBEHGHRZLDDGIX-UHFFFAOYSA-N 233.084 2.805 0 40 BFAB Brc1cccc(CC2COC2)c1 257197475 APKGXQJOMSWSNX-UHFFFAOYSA-N 227.101 2.638 0 40 BFAB Cc1cccc(NC(=O)c2ncnc(C)c2C)c1 1888857142 TWEGCTAZUSDMJB-UHFFFAOYSA-N 241.294 2.654 0 40 BFAB Cc1ccc(C(=O)Nc2ncc(Cl)cn2)cc1 1403892 SJISNJQZSFRFTR-UHFFFAOYSA-N 247.685 2.691 0 40 BFAB CCC(C)(C)c1ccc(O)c(C(=O)O)c1 1701226 JAWMDQPKGUFLQE-UHFFFAOYSA-N 208.257 2.778 0 40 BFAB CC[C@@H](CCC1CCCCC1)C(=O)NC(N)=O 2046361 AMRUUEZEFHHQOD-NSHDSACASA-N 240.347 2.568 0 40 BFAB CCOC(=O)CCC(=O)c1ccccc1Cl 2518028 XWWKROHSVASWEY-UHFFFAOYSA-N 240.686 2.866 0 40 BFAB FC(F)(F)[C@@H]1C[C@H](C2CC2)Nc2ccnn21 2536696 LDDDMXZXZTZPGS-SFYZADRCSA-N 231.221 2.581 0 40 BFAB Cc1cc(C(=O)NCc2ccco2)sc1C 2731007 DCTXCUPLONIUFJ-UHFFFAOYSA-N 235.308 2.888 0 40 BFAB O=C(Cc1nc2ccccc2o1)c1cccnc1 3260217 ZWYNWMUZZVKELG-UHFFFAOYSA-N 238.246 2.648 0 40 BFAB CCCCc1ccc([C@@H](N)CC(=O)O)cc1 3678233 OADWRZPIUCUUOK-LBPRGKRZSA-N 221.300 2.504 0 40 BFAB C[C@H]1CC[C@]23[C@@H]1C[C@H](CC(=O)[C@@]2(C)O)C3(C)C 5029101 AJNBIBAWHPLSCR-BOVGIHKQSA-N 236.355 2.789 0 40 BFAB CSc1c([S@](C)=O)c2ccccc2n1C 5580009 HWEHHJSDALVSHI-OAHLLOKOSA-N 239.365 2.638 0 40 BFAB CCCCOc1ccc(NC(=O)N(C)C)cc1 5951611 BEQIOYCQUGQZKM-UHFFFAOYSA-N 236.315 2.959 0 40 BFAB CCCNC(=S)Nc1ccc(C)c(C)c1 6329478 BLWXHBCPLYEFPV-UHFFFAOYSA-N 222.357 3.000 0 40 BFAB c1ccc(CN2CCNc3ccccc32)nc1 8699842 MINNLQYWWXGOPE-UHFFFAOYSA-N 225.295 2.514 0 40 BFAB O=C(NC12CC3CC(CC(C3)C1)C2)c1ccoc1 9336946 WYKQMIVDUCUWRV-UHFFFAOYSA-N 245.322 2.978 0 40 BFAB CCCCNC(=O)Cc1c[nH]c2ccccc12 14093976 KVBAACYBXQPKFE-UHFFFAOYSA-N 230.311 2.627 0 40 BFAB C1=Cc2ccccc2-n2nnnc2-c2ccccc21 18045342 GKNCEGAQFUILBC-UHFFFAOYSA-N 246.273 2.813 0 40 BFAB Cc1ccc2c(=O)n(-c3ccccc3)ccc2n1 20153981 GJMQJIFPICBKIQ-UHFFFAOYSA-N 236.274 2.694 0 40 BFAB CC[C@H](C)C(=O)Nc1ccc(N2CCCC2)nc1 23465095 WGTXCCJXKVQVAM-NSHDSACASA-N 247.342 2.666 0 40 BFAB O=C(NC1CC1)C1(c2cccc(F)c2)CCC1 24592756 WDPQXVHZMMHIOY-UHFFFAOYSA-N 233.286 2.526 0 40 BFAB FC(F)(F)c1ccc(OC[C@H]2CCNC2)cc1 34017620 XIYHHXOOZDTTIM-VIFPVBQESA-N 245.244 2.694 0 40 BFAB COc1ccc2sc(N)nc2c1Cl 34768742 BKXFCXSACZJJKI-UHFFFAOYSA-N 214.677 2.541 0 40 BFAB CCc1c(-c2cc(C)ccc2C)nn(C)c1N 36916288 NJAPFBNWDBEWSO-UHFFFAOYSA-N 229.327 2.849 0 40 BFAB Cc1ccccc1CNCc1c(C)n[nH]c1C 37719020 HKHOHHNABMDLQV-UHFFFAOYSA-N 229.327 2.625 0 40 BFAB c1csc([C@@H]2CNCc3ccccc32)c1 39040008 OHQUZZREXAMHET-GFCCVEGCSA-N 215.321 2.983 0 40 BFAB Cc1cccc(OCCCn2ccccc2=O)c1 39981987 RMDXQJBBBIMMIT-UHFFFAOYSA-N 243.306 2.626 0 40 BFAB O=C(O)c1cc(-c2ccc(F)cc2)ccn1 47204936 OIGZQCHOUATCFX-UHFFFAOYSA-N 217.199 2.586 0 40 BFAB in-vitro COc1ccc(NC(=O)c2ccoc2C)cc1F 48506026 GIJIDIXVISRBGX-UHFFFAOYSA-N 249.241 2.988 0 40 BFAB COc1ccc(-c2ccnc(C=O)c2)cc1 67801434 DTYYIWDGSFNFHW-UHFFFAOYSA-N 213.236 2.570 0 40 BFAB CNC(=O)CCc1cccc(OC2CCCC2)c1 67904957 YOLXHFHXBFCDFN-UHFFFAOYSA-N 247.338 2.687 0 40 BFAB Cc1ccc([C@@H]2CCCN(C(=O)C(C)C)C2)nc1 72361234 RCVXLBXACTXFDH-CYBMUJFWSA-N 246.354 2.752 0 40 BFAB COc1ccc(C(=O)N2CCCC2)cc1Cl 74946802 DVUBDTXLVBWXIJ-UHFFFAOYSA-N 239.702 2.585 0 40 BFAB CC[C@@H](C)[C@@H](N)CN(C)CCc1ccccc1 88243047 CKSJPVOOZAFKCS-HIFRSBDPSA-N 234.387 2.534 0 40 BFAB Cc1noc(C)c1[C@@H](C)CNCc1ccccn1 95434245 ONEQAOOKUWFPQZ-JTQLQIEISA-N 245.326 2.580 0 40 BFAB CC(C)(C)OC(=O)N1CC[C@@H](c2cccnc2)C1 95830086 NFUOQWYRDVFCHS-GFCCVEGCSA-N 248.326 2.806 0 40 BFAB c1ccc(-c2cncc(NCC3CC3)n2)cc1 95990521 JUVVREFJTKWFBM-UHFFFAOYSA-N 225.295 2.966 0 40 BFAB Cc1ccc([C@H](O)CNc2cccc(C)n2)cc1 97096658 UEQYLHLOVYHIHN-CQSZACIVSA-N 242.322 2.844 0 40 BFAB CCCC[C@@H]1CCC[C@@H]1NC(=O)[C@H](C)OCC 107350297 LWVSAJAAMVUGDI-XQQFMLRXSA-N 241.375 2.887 0 40 BFAB CC(C)(C)NC(=O)N1Cc2ccccc2C1 131002438 HVYFEPPQYKBAPH-UHFFFAOYSA-N 218.300 2.510 0 40 BFAB CC(C)CCN1C[C@H](O)C[C@@H]1CC(C)C 217886241 ULFUZDXSRZTKJJ-QWHCGFSZSA-N 213.365 2.514 0 40 BFAB CCc1ccc(CNC2CCCC2)n1C 226019555 CCGUUSCPPKTROZ-UHFFFAOYSA-N 206.333 2.620 0 40 BFAB Cc1nc(Cl)c(N)c(C)c1Br 238531794 HAGHURIMDJNGBB-UHFFFAOYSA-N 235.512 2.697 0 40 BFAB CCN(CC)c1ccc2cccc(N)c2n1 258242193 GRTLXCSMCGLNAR-UHFFFAOYSA-N 215.300 2.663 0 40 BFAB CCOC(=O)[C@@H]1C[C@H]1c1cc(C)ccc1C 1857793789 QMDVUSVCFZLJKZ-QWHCGFSZSA-N 218.296 2.970 0 40 BFAB Cc1cccc(C(=O)OCCN2CCCCC2)c1 210643 NUMPQHMZRBWYRW-UHFFFAOYSA-N 247.338 2.638 0 40 BFAB O=C(Nc1cccc2cccnc12)c1ccncc1 362937 LPPMWVKXXNJXLN-UHFFFAOYSA-N 249.273 2.882 0 40 BFAB C[C@@H](O)CCCCCCCCC(=O)O 1671061 UHZWUNLTEZCDMA-SNVBAGLBSA-N 202.294 2.573 0 40 BFAB in-vitro CCCC[P@](=O)(CC(=O)O)c1ccccc1 1733210 CGCYVTZFMYCPTI-INIZCTEOSA-N 240.239 2.560 0 40 BFAB Cc1ccc([C@H](NC=O)c2ccccc2)cc1 2656183 WFSHCSTTWSATIF-OAHLLOKOSA-N 225.291 2.830 0 40 BFAB Cc1ccc([C@@H](NC=O)c2ccccc2)cc1 4779420 WFSHCSTTWSATIF-HNNXBMFYSA-N 225.291 2.830 0 40 BFAB CN1C(=O)C[C@@H]2c3ccccc3O[C@]13CCC[C@H]23 4784091 WCHBGJWZFJETEI-JMSVASOKSA-N 243.306 2.521 0 40 BFAB CC(C)(C)Nc1ncnc2ccccc12 5520722 PMIVDVXNMLOJNN-UHFFFAOYSA-N 201.273 2.840 0 40 BFAB COCc1ccc(C(=O)N2CCCCCC2)cc1 8479944 BBTXQFWCVKSTRH-UHFFFAOYSA-N 247.338 2.849 0 40 BFAB O=C(O)c1ccc(CNc2ccccc2)o1 8702183 JLEKDCSMDYIBRQ-UHFFFAOYSA-N 217.224 2.590 0 40 BFAB Cc1c(N)cccc1C(=O)N1CCCC[C@@H]1C 8703642 HPHQXUHFCSWAIG-JTQLQIEISA-N 232.327 2.592 0 40 BFAB O=Cc1ccc(F)c(OC(F)(F)F)c1 12359174 CGOFJJTXLIWONB-UHFFFAOYSA-N 208.110 2.537 0 40 BFAB in-vitro Cc1cccc(OCc2nnc(S)o2)c1C 13151280 NBAFOXNCXNGMKF-UHFFFAOYSA-N 236.296 2.554 0 40 BFAB Nc1cncc(-c2cccc(-c3cc[nH]n3)c2)c1 19112982 SMEDXWGJQWBSKZ-UHFFFAOYSA-N 236.278 2.721 0 40 BFAB N[C@H]1CCCOc2cc(Br)ccc21 19408220 YOQXSJZQVXGFQD-VIFPVBQESA-N 242.116 2.622 0 40 BFAB COc1ccc(CN[C@@H](C)C(C)C)cc1 19909126 JXGDBUMXOHULJP-NSHDSACASA-N 207.317 2.829 0 40 BFAB CCc1cc(C(=O)NCc2ccccn2)cs1 20191860 HNAHFVHGIAKJRK-UHFFFAOYSA-N 246.335 2.636 0 40 BFAB O=C(O)Cc1cc(-c2ccc(Cl)cc2)on1 20270420 LHGYCEYGPIOBQW-UHFFFAOYSA-N 237.642 2.622 0 40 BFAB O=C(O)c1nnsc1-c1ccc(Cl)cc1 20444656 IGMDASHNIRLTLY-UHFFFAOYSA-N 240.671 2.557 0 40 BFAB N#[N+]c1ccc(I)cc1 34598189 LSERIKSJOGNFNS-UHFFFAOYSA-N 231.016 2.776 0 40 BFAB CC(C)(C)c1ccc(Cn2ccc(N)n2)cc1 37418752 WRKNSBOZNGYIBQ-UHFFFAOYSA-N 229.327 2.811 0 40 BFAB CN[C@H](C)C(=O)c1ccc(Cl)c(Cl)c1 41610032 QMTDOZQOSLOSTN-ZCFIWIBFSA-N 232.110 2.784 0 40 BFAB CCO[C@H](CNC)c1cccc(Cl)c1 50482127 NRCJKGJWDKIPMP-LLVKDONJSA-N 213.708 2.637 0 40 BFAB CNC[C@H]1C[C@]1(C)c1ccccc1Cl 54590099 CAFGHEVVMLHRPY-SKDRFNHKSA-N 209.720 2.837 0 40 BFAB C[C@@H](N[C@@H]1CCCc2occc21)c1nccn1C 70443743 AEVWHCSRGYFHTI-ZYHUDNBSSA-N 245.326 2.741 0 40 BFAB CC(C)CN1CCC[C@H]1c1cccnc1N(C)C 72212660 NHLDKYKNWHRIKJ-AWEZNQCLSA-N 247.386 2.941 0 40 BFAB CCCCNC(=O)c1cc2ccccc2o1 74729378 LIRDQDXZSJRPNY-UHFFFAOYSA-N 217.268 2.963 0 40 BFAB Cc1c(C(=O)O)oc2c1CC[C@H](C(F)(F)F)C2 85399151 PWFUWMUKLQSXGQ-LURJTMIESA-N 248.200 2.953 0 40 BFAB COc1ccc([C@@](C)(O)C(C)C)cc1C 95739297 XWBOUQSKOGZYMZ-ZDUSSCGKSA-N 208.301 2.867 0 40 BFAB CC[C@@H](NCc1noc(C)n1)c1cccs1 96013851 JUJOHRBBVVCRSU-SECBINFHSA-N 237.328 2.680 0 40 BFAB CCOc1ccc2c(ccc(C)[n+]2CC)c1 96319127 NGBALYKXIZCZPW-UHFFFAOYSA-N 216.304 2.854 0 40 BFAB COCCN[C@@H]1CCCSc2ccccc21 96476331 JIRYOHBTASRUBV-GFCCVEGCSA-N 237.368 2.850 0 40 BFAB CCOC(=O)c1ncn(C2CCCCC2)c1C 96524049 CCOQQDUZWMGZQM-UHFFFAOYSA-N 236.315 2.873 0 40 BFAB CN(CCc1ccncc1)[C@@H]1C=CCCC1 181475395 XVRYPNGOAMLLAW-CQSZACIVSA-N 216.328 2.665 0 40 BFAB COCC(=O)N[C@@H](C)CC(C)(C)c1ccccc1 224477014 BZAJVSYZSDFZOM-LBPRGKRZSA-N 249.354 2.505 0 40 BFAB CCCc1nc(-c2ccc(C)c(N)c2)no1 225174154 NHPDONBTBLBPMV-UHFFFAOYSA-N 217.272 2.580 0 40 BFAB CN(C)[C@H]1CCCC[C@@H](N(C)C)CCCC1 245240965 VQFBHHBERXAYKU-OKILXGFUSA-N 226.408 2.981 0 40 BFAB CC(C)(C)NC(=O)NCc1ccc(C2CC2)nc1 606440517 GMADCJZUEGCUTO-UHFFFAOYSA-N 247.342 2.557 0 40 BFAB CC(C)(C)C(=O)CC(=O)Nc1ccccc1 363057 XVEPKNMOJLPFCN-UHFFFAOYSA-N 219.284 2.630 0 40 BFAB CCCCOC(=O)COc1ccc(F)cc1F 1732327 DFJFWMXWUBVKMZ-UHFFFAOYSA-N 244.237 2.687 0 40 BFAB CC(C)(C)C(=O)Nc1ccc(F)cc1F 2568853 JHEVHMUNERDXND-UHFFFAOYSA-N 213.227 2.949 0 40 BFAB Cc1cc(C)nc(NC(=O)NC2CCCCC2)n1 3161039 NTMVFZYZQOFXLT-UHFFFAOYSA-N 248.330 2.548 0 40 BFAB Cc1ccn2c(N)c(-c3cccs3)nc2c1 3888329 RWCXUFFPULHMEE-UHFFFAOYSA-N 229.308 2.953 0 40 BFAB in-vitro C=COCCNCc1ccc(Cl)s1 5517769 UBCBNBCWHKQRKD-UHFFFAOYSA-N 217.721 2.651 0 40 BFAB c1ccc(OCc2nnc(-c3ccco3)o2)cc1 5947480 FLLNCWJFLSGYNR-UHFFFAOYSA-N 242.234 2.909 0 40 BFAB CC[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(C)c(C)c1 8049639 DANDDLRGJRTVAQ-CHWSQXEVSA-N 249.354 2.985 0 40 BFAB Cc1cc(O[C@@H](C)C(=O)O)ccc1C(C)C 11958131 JQOLHHYVSCEUJO-JTQLQIEISA-N 222.284 2.970 0 40 BFAB in-vitro C=C1c2ccccc2NC(=O)N1C(C)C 12863198 CAGVNWKNKTXQKC-UHFFFAOYSA-N 202.257 2.913 0 40 BFAB CC[C@@H](Nc1ccc(OC)c(Cl)c1)C(=O)O 15418111 BGUMCXRPEMRRSE-SECBINFHSA-N 243.690 2.624 0 40 BFAB COc1ccc(/C=C\c2n[nH]c(=S)[nH]2)cc1 17196751 SWKAJZUQUXPLLN-DAXSKMNVSA-N 233.296 2.646 0 40 BFAB Cc1c(NCc2cc(F)cc(F)c2)cnn1C 20350394 FSIRBYJTUHPTOR-UHFFFAOYSA-N 237.253 2.619 0 40 BFAB CCCOc1ccc(CNCC)cc1OCC 20933279 LTKAWMCGWYNUCH-UHFFFAOYSA-N 237.343 2.984 0 40 BFAB CCCCNC(=O)/C=C/c1ccc2c(c1)CCO2 22990813 ZGPJUARZMDWFCH-FNORWQNLSA-N 245.322 2.551 0 40 BFAB C[C@H](NC(=O)c1ccccc1O)c1cccs1 25314049 SHOXWVNNNBKLPW-VIFPVBQESA-N 247.319 2.945 0 40 BFAB Cc1oc(C)c(C(=O)Nc2ccccn2)c1C 32903853 PABGARURBGLPPB-UHFFFAOYSA-N 230.267 2.852 0 40 BFAB c1ccc2c(NCC3CCC3)ncnc2c1 37502142 FIBHTXLTTVHMRW-UHFFFAOYSA-N 213.284 2.842 0 40 BFAB O=C(O)C(F)(F)c1ccc(C(F)(F)F)cc1 39250277 PWADLMFDFRCDMZ-UHFFFAOYSA-N 240.127 2.882 0 40 BFAB CCN(Cc1cccc(F)c1)C(=O)[C@@H]1C[C@@H]1C 40462410 IUBOXIMXFNQZKZ-GXFFZTMASA-N 235.302 2.830 0 40 BFAB Cc1noc(CN2CCC[C@@H]2c2cccs2)n1 42355918 BZMDKGHYLYJOHY-SNVBAGLBSA-N 249.339 2.777 0 40 BFAB O[C@]1(C(F)(F)F)CCCc2ccccc21 43367951 BDTPMXRVQUXISY-SNVBAGLBSA-N 216.202 2.773 0 40 BFAB CC(=O)NC1(c2ccc(Cl)cc2)CCC1 48951012 NGRKVVBOWZINSH-UHFFFAOYSA-N 223.703 2.855 0 40 BFAB Cc1cccc(O[C@@H](C)C(=O)N[C@@H](C)C(C)C)c1 57160051 YKJQCVCETDKXFK-STQMWFEESA-N 249.354 2.923 0 40 BFAB COC(=O)c1cc(Cl)c(C)c(C)c1OC 57339800 ZJUYDTYNPOOSPS-UHFFFAOYSA-N 228.675 2.752 0 40 BFAB CO[C@@H](CN)c1ccc(Cl)cc1Cl 62711411 JEKKETLJQMYLAY-VIFPVBQESA-N 220.099 2.640 0 40 BFAB CCc1ocnc1C(=O)OCC1CCCCC1 71916278 CLILDXPNTFOYQO-UHFFFAOYSA-N 237.299 2.974 0 40 BFAB Cc1cccc([C@H]2CCCN2C(C)C)n1 72211078 GQGOEBQXUMXYPY-CYBMUJFWSA-N 204.317 2.935 0 40 BFAB CC[C@@H](N)c1cnc(NC(C)C)cc1C 72223012 ZZWBPDULJMVYLJ-LLVKDONJSA-N 207.321 2.620 0 40 BFAB Cc1cccc([C@H]2CCCN2C(=O)C(C)C)n1 72361253 ZBEPRVVUGPMQID-CYBMUJFWSA-N 232.327 2.710 0 40 BFAB C[C@H](O)c1cccc(C(F)(F)F)c1F 75852772 YIDJOYSEVWVENZ-YFKPBYRVSA-N 208.154 2.898 0 40 BFAB O[C@H]1CCOc2cc(Cl)cc(Cl)c21 84150745 UECZCGXIKKUAPT-ZETCQYMHSA-N 219.067 2.809 0 40 BFAB in-vitro Fc1cccc(N2CCOCC2)c1C(F)(F)F 95081270 UWDQJQMSNSGMDU-UHFFFAOYSA-N 249.207 2.681 0 40 BFAB C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccccn1 95398636 NMLZXZFDWNQEIZ-DYEKYZERSA-N 244.338 2.875 0 40 BFAB Oc1c(F)cc(/C=C/c2ccnnc2)cc1F 95434380 UMHAVMMBUANCIV-OWOJBTEDSA-N 234.205 2.631 0 40 BFAB Cc1occc1SCC(=O)N(C)CC1CC1 131298686 VSPOBLTYBIWHRO-UHFFFAOYSA-N 239.340 2.549 0 40 BFAB CCCc1ccc(C(=O)[C@@H]2C[C@@H]2C(=O)OC)cc1 217818063 SYKHYDDYXAVDJV-OLZOCXBDSA-N 246.306 2.631 0 40 BFAB Cc1noc(C(C)(C)COCc2ccccc2)n1 252500011 SLWVFASMQZECGS-UHFFFAOYSA-N 246.310 2.872 0 40 BFAB c1ccc2c([C@@H]3CSCCN3)ccnc2c1 306145950 WZLDEEKAZZHEME-ZDUSSCGKSA-N 230.336 2.612 0 40 BFAB COC(=O)c1cc2cccc(C=O)c2s1 1565505163 XQHGSGRMWMVTOL-UHFFFAOYSA-N 220.249 2.500 0 40 BFAB FC(F)CNc1ccnc(Br)c1 2362801513 JVDPXACPSFGFAF-UHFFFAOYSA-N 237.047 2.521 0 40 BFAB O=C(Cc1ccc(Cl)cc1)NC1CCCC1 3093847 WGLIBPCZBACXFH-UHFFFAOYSA-N 237.730 2.941 0 40 BFAB CC[C@@H](C)N1CCC(N2CCCCC2)CC1 4129575 AYVCPNHNBINYTP-CYBMUJFWSA-N 224.392 2.735 0 40 BFAB CC[C@@H](C)NC(=O)Nc1ccc(F)cc1 12921750 DAKFBOFAVJLZJO-MRVPVSSYSA-N 210.252 2.746 0 40 BFAB CCN(c1ncccc1CN)C1CCCCC1 22169019 BOBLSHSQTOBYTC-UHFFFAOYSA-N 233.359 2.699 0 40 BFAB Cc1cccc(NC(=O)c2cc(F)cc(F)c2)n1 25046105 RPGWGTLMQJSDOB-UHFFFAOYSA-N 248.232 2.921 0 40 BFAB O=C(O)c1ccc(O)c(OCc2ccccc2)c1 27331861 YEFZIBGGMNFCBS-UHFFFAOYSA-N 244.246 2.669 0 40 BFAB Clc1ccc2oc(C3CCNCC3)nc2c1 32625202 CTXQQZDBUIIQFM-UHFFFAOYSA-N 236.702 2.948 0 40 BFAB CC(=O)N1CC2(CCCC2)c2ccccc21 33754865 WWXGSKCMGUTIOD-UHFFFAOYSA-N 215.296 2.865 0 40 BFAB CC(C)(C)CNc1ccc(C(N)=O)c(Cl)c1 41051350 HVMABOGZTVOOOX-UHFFFAOYSA-N 240.734 2.897 0 40 BFAB in-vitro O=C(O)CCC(=O)c1ccc(Cl)cc1F 43214159 BPCGUSFPIKVQBX-UHFFFAOYSA-N 230.622 2.527 0 40 BFAB Cc1occc1C(=O)[C@@H]1CCCCC1=O 43651239 CECICIAFJSPKNW-SNVBAGLBSA-N 206.241 2.530 0 40 BFAB CC(C)Sc1nnc(NC2CC2)s1 48395960 NUQGIPZZGUZIQG-UHFFFAOYSA-N 215.347 2.613 0 40 BFAB CC(=O)Nc1ccc(Oc2ccccc2)nc1 49277563 VJPATLBXYSRERP-UHFFFAOYSA-N 228.251 2.832 0 40 BFAB Cc1ccc(OCc2cccc(C(=O)O)c2)cn1 50211322 YUBDHBCHHWPSJE-UHFFFAOYSA-N 243.262 2.667 0 40 BFAB in-vitro O=Cc1sc(N2CCCCCC2)nc1Cl 62702383 CGEKRJGASFLGEG-UHFFFAOYSA-N 244.747 2.989 0 40 BFAB CCCCCNCc1cnc(SCC)nc1 62717299 ZYHOKWYCBALGFQ-UHFFFAOYSA-N 239.388 2.868 0 40 BFAB Cc1nc(C(=O)N2CCCCCCC2)cs1 69315327 JFFHXLFNOSASRT-UHFFFAOYSA-N 238.356 2.858 0 40 BFAB Cc1ccccc1CN[C@H](C)[C@@H](C)n1cccn1 69372245 VTZHRMQIAUFTNW-ZIAGYGMSSA-N 243.354 2.931 0 40 BFAB COC(=O)c1csc(CCc2ccccc2)n1 69739585 FCMUKDLLWXCXOU-UHFFFAOYSA-N 247.319 2.715 0 40 BFAB Cc1nc(N(C)c2ccccc2)ccc1CCO 72224398 QZKHBRYVFCYULD-UHFFFAOYSA-N 242.322 2.693 0 40 BFAB CCO[C@H]1C[C@@H](N(C)Cc2cccnc2)C1(C)C 84800747 PXLHLFUEHUWZDW-KGLIPLIRSA-N 248.370 2.717 0 40 BFAB CC[C@@H](O)CN[C@@H](C)c1ccc(C)c(F)c1 87369710 WCLJXSJKZPHZSH-CMPLNLGQSA-N 225.307 2.556 0 40 BFAB C[C@H](c1cccc(O)c1)N(C)Cc1ccccn1 96424209 BNYSEXLPMOGUIL-GFCCVEGCSA-N 242.322 2.980 0 40 BFAB CC1(C)[C@H]2CC[C@@]1(C)c1nc(NN)sc12 100006544 NJBLDAVBXVRRRS-KGFZYKRKSA-N 223.345 2.604 0 40 BFAB Oc1cc(C(F)F)nn1-c1ccccc1 108313422 KYDMAYUDOIWBMG-UHFFFAOYSA-N 210.183 2.516 0 40 BFAB O=Cc1cc(C(F)(F)F)cc2cc[nH]c12 118876098 LCDNKVXVOOQAEH-UHFFFAOYSA-N 213.158 2.999 0 40 BFAB CC(C)Oc1ccccc1C(=O)C(F)F 163956747 SYCALHASCBHWTR-UHFFFAOYSA-N 214.211 2.922 0 40 BFAB COC(=O)c1cccn1-c1cccc(C)c1 223723061 BIPFUMBFEBHOMH-UHFFFAOYSA-N 215.252 2.572 0 40 BFAB CCn1ncnc1CSCC(C)(C)C 225640800 QRZXQOLXKAVYNM-UHFFFAOYSA-N 213.350 2.577 0 40 BFAB O=Cc1nn(C2CCCC2)cc1Br 685936646 NGYTZEUMICPJDV-UHFFFAOYSA-N 243.104 2.573 0 40 BFAB O=C(O)CSc1cc(Cl)nc(Cl)c1 154321 RMEPHJNBCRKTHN-UHFFFAOYSA-N 238.095 2.565 0 40 BFAB Cc1ccccc1Cn1c(N)nc2ccccc21 168202 IYSAPXLMYUJKGK-UHFFFAOYSA-N 237.306 2.975 0 40 BFAB in-vitro CCC[C@H]1Cc2c(sc3ncnc(N)c23)CO1 554680 OGDJSFCPWSUYOZ-ZETCQYMHSA-N 249.339 2.515 0 40 BFAB C=CS(=O)(=O)c1ccc2ccccc2c1 1736491 MUJRPOWKCLTMDN-UHFFFAOYSA-N 218.277 2.757 0 40 BFAB C[C@H]1C[C@@H]1C(=O)Nc1ccccc1OC(F)F 9726547 FBVJRBSAWHBLCJ-YUMQZZPRSA-N 241.237 2.883 0 40 BFAB Cc1cc(C(=O)O)c2cnn(C3CCCC3)c2n1 12357797 GARVQEXMFKOXRF-UHFFFAOYSA-N 245.282 2.553 0 40 BFAB CCCNC(=O)[C@@H](CC)Oc1cccc(C)c1 20039807 BUSSHIJQWXHUAG-CYBMUJFWSA-N 235.327 2.679 0 40 BFAB Cc1cc(C(=O)N[C@H]2CCCC[C@H]2C)ccc1N 22217182 KOTMPFBBTGPNJL-YGRLFVJLSA-N 246.354 2.886 0 40 BFAB CC(C)(C)C(=O)NCC1(c2cccs2)CC1 22680041 SGOKBBRYKBGMRZ-UHFFFAOYSA-N 237.368 2.942 0 40 BFAB COc1cc(F)ccc1NC(=O)c1ccc(C)o1 25308640 QNDUTKLVXQKQKI-UHFFFAOYSA-N 249.241 2.988 0 40 BFAB Cc1ccc(C(=O)N[C@H]2CCC[C@@H](C)C2)cn1 32029741 ZDQMHYYPXBUFPZ-MFKMUULPSA-N 232.327 2.699 0 40 BFAB CC(C)Oc1ccc(CNC[C@H]2CCCO2)cc1 32104800 PDIRKIBYVFZBNV-OAHLLOKOSA-N 249.354 2.742 0 40 BFAB O=CNC1=CC[C@H](c2ccccc2)CC1 34332248 PDCDNRRTCNPVES-LBPRGKRZSA-N 201.269 2.584 0 40 BFAB in-vitro Fc1ccc(F)c(CC2CCNCC2)c1 36158760 GRDNPXKKKCNDTG-UHFFFAOYSA-N 211.255 2.507 0 40 BFAB in-vitro CC1(C)OC(C)(C)c2cc(C=O)ccc21 36459654 PROPKDDXWNKZHW-UHFFFAOYSA-N 204.269 3.000 0 40 BFAB CCC(CC)CN[C@@H](CC(C)C)C(=O)O 43431798 YAFPLRWNQCFWBK-NSHDSACASA-N 215.337 2.512 0 40 BFAB O[C@@H](Cn1cccn1)c1ccc2ccccc2c1 44182984 NVGIXJMZIKDAAU-HNNXBMFYSA-N 238.290 2.770 0 40 BFAB CN(C)CCCNCc1c(F)cccc1Cl 57360166 UXEJGOBQLASVIS-UHFFFAOYSA-N 244.741 2.520 0 40 BFAB CC(=O)Nc1cc(-n2cccc2)ccc1F 60347285 VVBNECZEDSUOHQ-UHFFFAOYSA-N 218.231 2.575 0 40 BFAB Cc1nn(C(C)(C)C)c(C)c1C(=O)C(F)(F)F 68593763 IJRGGQPBKIMHOE-UHFFFAOYSA-N 248.248 3.000 0 40 BFAB in-vitro O[C@H](c1cc(F)c(F)c(F)c1)c1ccco1 68979245 QBUGDUHDFBUFML-LLVKDONJSA-N 228.169 2.779 0 40 BFAB COc1ccncc1NC(=O)CC1CCCC1 69350401 FLHOQNBIRUJUBG-UHFFFAOYSA-N 234.299 2.609 0 40 BFAB C[C@@H]1C[C@H]1NC(=O)c1ncoc1-c1cccs1 69702379 PVYXXYHNJTZART-HTQZYQBOSA-N 248.307 2.541 0 40 BFAB CC[C@H](COC)N[C@@H](C)c1ccccc1 70623610 NUAMNNLHBPJIGZ-WCQYABFASA-N 207.317 2.762 0 40 BFAB O=C(c1cscn1)N1CC[C@H]2CCCC[C@H]21 78487929 XQTZCVLWVVKBRS-MWLCHTKSSA-N 236.340 2.548 0 40 BFAB CC(=O)c1sc(-c2cccc(N)c2)nc1C 83358879 JZTHKDUNSPVKSZ-UHFFFAOYSA-N 232.308 2.903 0 40 BFAB O=Cc1ccc(COc2ccccc2F)o1 85395344 ANNFAQCMPDDFLU-UHFFFAOYSA-N 220.199 2.810 0 40 BFAB CCN(CC)c1cc(-c2cnc(N)s2)ccn1 95629743 SOEUQEYBSLNBFB-UHFFFAOYSA-N 248.355 2.634 0 40 BFAB CCc1[nH]nc(N[C@@H]2CCCSC2)c1C 97370862 BTGTTZKFYRTNHQ-SECBINFHSA-N 225.361 2.588 0 40 BFAB C[C@@H]1COC[C@@H](C)N1C(=O)CC1=CCCCC1 98012944 FAERIPLOYBJPBX-VXGBXAGGSA-N 237.343 2.513 0 40 BFAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](C)N21 222639649 RYDGTFKDYRMSGL-FOGDFJRCSA-N 247.367 2.708 0 40 BFAB C1CC[C@H](CN2CC[C@@H]3CCCC[C@H]3C2)NC1 252470048 SMFJJXNFNWYQPN-SOUVJXGZSA-N 236.403 2.641 0 40 BFAB CC1(C)C[C@H](N)C[C@@H](Oc2ncccc2F)C1 694574289 IRTPJTIMZMOCNY-NXEZZACHSA-N 238.306 2.506 0 40 BFAB Cc1ncnc(Nc2ccc(F)cc2F)c1F 1888866386 ROYGADFDYQJQSL-UHFFFAOYSA-N 239.200 2.946 0 40 BFAB COc1ccc2oc(C(F)(F)F)cc(=O)c2c1 112301 ISEHAGBHPLTWSM-UHFFFAOYSA-N 244.168 2.820 0 40 BFAB C/C(Nc1ccc(Cl)cc1)=C1\CCOC1=O 336622 LMTZKNFOUSGOPO-FLIBITNWSA-N 237.686 2.973 0 40 BFAB CCC[C@@H](C)NC(=O)c1cccc(OC)c1 477591 MWBPCZNMXWVNPV-SNVBAGLBSA-N 221.300 2.614 0 40 BFAB CCOC(=O)Nc1cc(Cl)ccc1O 1655941 KOYKJLUPGYMUHO-UHFFFAOYSA-N 215.636 2.614 0 40 BFAB CCOP(OCC)c1cccs1 1737608 ZWACJOKVXDFPTQ-UHFFFAOYSA-N 204.231 2.758 0 40 BFAB CCCCN(C)CC1OCc2ccccc2CO1 2365225 WMPDDOMFSNZZGJ-UHFFFAOYSA-N 249.354 2.791 0 40 BFAB C=CC(=O)OCc1cccc(C(F)(F)F)c1 2572059 ZVVBHXGKXLHUMM-UHFFFAOYSA-N 230.185 2.935 0 40 BFAB CCCC(=O)Nc1cc(C(C)(C)C)on1 3161489 SOGCJXMCVSEGHC-UHFFFAOYSA-N 210.277 2.711 0 40 BFAB C[C@@H](c1ccccc1)[C@H]1OCC[C@@H](C)O1 4791952 PXHOWQRLOQCIKA-MDZLAQPJSA-N 206.285 2.942 0 40 BFAB CCCOc1ccc(CSC(=N)N)cc1 4795252 SDPPNOMIKBYRSO-UHFFFAOYSA-N 224.329 2.602 0 40 BFAB CC(C)/C=C1/CC(=O)N(c2ccccc2F)C1=O 5348767 APTTUMAQOXZTOS-YFHOEESVSA-N 247.269 2.671 0 40 BFAB Cc1ccc(-n2c[n+](C)c3ccccc32)cc1 5798896 QICYZRNYKWQOCW-UHFFFAOYSA-N 223.299 2.763 0 40 BFAB Cc1ccc(CSc2nncn2C)c(C)c1 6501532 LGWVKJHINOUVPY-UHFFFAOYSA-N 233.340 2.724 0 40 BFAB c1ccc(C[n+]2cccc3cc[nH]c32)cc1 8873521 IKPKXUZETXIJKI-UHFFFAOYSA-O 209.272 2.504 0 40 BFAB Cc1ccccc1CNC(=O)Nc1cccnc1 9379130 JMBACHWFZOEKSZ-UHFFFAOYSA-N 241.294 2.712 0 40 BFAB O=C(O)c1cc(C2CC2)nc2onc(C3CC3)c12 12395091 KRFAJRBTNJNHFD-UHFFFAOYSA-N 244.250 2.676 0 40 BFAB OC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 16158570 AUAIIBAFJHEYOJ-WHFBIAKZSA-N 236.155 2.888 0 40 BFAB Nc1ccc(SCc2ccccc2)cn1 19869339 IYYBMHZDZXPAGP-UHFFFAOYSA-N 216.309 2.956 0 40 BFAB in-vitro C[C@@H]1CCC[C@H](NC(=O)Cc2ccccc2N)C1 20155734 CHHGVEURRGZHLA-YPMHNXCESA-N 246.354 2.506 0 40 BFAB CN(C)c1ccc(-c2cccc(CN)c2)cc1 31996968 YOWOAPCSGRUBQT-UHFFFAOYSA-N 226.323 2.878 0 40 BFAB Cc1cccnc1NC(=O)CC(C)(C)C 32721863 KZWMLXNCWYCMFP-UHFFFAOYSA-N 206.289 2.765 0 40 BFAB C[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccoc1 32787804 ZVAFQZJUJIITQD-JQWIXIFHSA-N 221.300 2.930 0 40 BFAB Oc1ccc(-c2noc(C3CCC3)n2)cc1 34956047 MTDJBPHHGRVOQL-UHFFFAOYSA-N 216.240 2.710 0 40 BFAB Cc1ccc(NCCc2n[nH]c(C3CC3)n2)cc1 41161480 FAFUYFWYFOGMJQ-UHFFFAOYSA-N 242.326 2.645 0 40 BFAB CC(C)[C@@H](CC(=O)O)Cc1ccccc1 41214800 YLDJHOTXCVFQHW-GFCCVEGCSA-N 206.285 2.976 0 40 BFAB CC(=O)NC1(c2ccccc2)CCCC1 41531606 NXXCDPQDUSCZSV-UHFFFAOYSA-N 203.285 2.592 0 40 BFAB Fc1ccccc1COCC[C@@H]1CCCNC1 42771786 IRLOAOAPDHCAMC-LBPRGKRZSA-N 237.318 2.732 0 40 BFAB CCOC(=O)CCCOCc1ccccc1 43503429 RSHBWABGLCPUJJ-UHFFFAOYSA-N 222.284 2.547 0 40 BFAB CC(C)(C)OC(=O)CCc1ccccc1N 49587139 HGIJHLYXGQVVEL-UHFFFAOYSA-N 221.300 2.543 0 40 BFAB NC1CC(c2ccc(C(F)(F)F)cc2)C1 50225006 ZUSHQSYFWIQVNY-UHFFFAOYSA-N 215.218 2.910 0 40 BFAB O=C(NCCC1=CCCCC1)c1cscn1 59894864 HHSKDLJBBUHIEL-UHFFFAOYSA-N 236.340 2.763 0 40 BFAB Cc1ccoc1-c1nnc(CN2CCCCC2)o1 65578912 MDVQZAQRWILIBE-UHFFFAOYSA-N 247.298 2.624 0 40 BFAB O=C([C@H]1C[C@@H]1c1cccc(F)c1)N1CCCC1 67125192 HLVOTBBKRZFXBS-OLZOCXBDSA-N 233.286 2.552 0 40 BFAB CCC(=O)Nc1ccccc1OC(C)C 70255229 IZCWTVXTJHBAEO-UHFFFAOYSA-N 207.273 2.822 0 40 BFAB O=C(C1CCCC1)N1CCCC[C@@H]1c1cc[nH]n1 72357213 HSOFGGCRPNALDO-CYBMUJFWSA-N 247.342 2.654 0 40 BFAB O=C(O)c1ccc(-c2cccc3[nH]ccc23)[nH]1 74002849 FHHQROROLLIYIS-UHFFFAOYSA-N 226.235 2.861 0 40 BFAB O=C(c1c(F)c(F)c(F)c(F)c1F)C1CC1 75902657 DXFYRVWQIJLIAV-UHFFFAOYSA-N 236.139 2.975 0 40 BFAB CCCCC(=O)N[C@H](C)Cc1ccsc1 84740880 ULOQIQFUUOYGCB-SNVBAGLBSA-N 225.357 2.986 0 40 BFAB CN(CCc1ccccc1)CC[C@@H]1CCCNC1 88195286 RPXTUQFHASRNAD-INIZCTEOSA-N 246.398 2.551 0 40 BFAB CC(C)C[C@@H](CN)CC(=O)OCc1ccccc1 88273422 ITJDOOGJVJBDQH-CQSZACIVSA-N 249.354 2.741 0 40 BFAB in-vitro O=C(C1CCCCC1)N1C[C@H]2CC=CC[C@@H]2C1 89818210 IZTVYDGUJWZZON-ZIAGYGMSSA-N 233.355 2.991 0 40 BFAB c1ccc2c(c1)[nH]c1ccc(-c3nnn[nH]3)cc12 91294574 OVCSGPMGIWTXPD-UHFFFAOYSA-N 235.250 2.501 0 40 BFAB FC(F)c1nc(Cl)c2ccncc2n1 95095855 TXLRFOHBWTVRAB-UHFFFAOYSA-N 215.590 2.616 0 40 BFAB FC(F)(F)Oc1ccccc1-c1nnco1 95215922 CCDKBAUGABEGJE-UHFFFAOYSA-N 230.145 2.635 0 40 BFAB COc1ccc(F)c(OC(F)(F)F)c1 98210664 FJTGINMSDDUDKO-UHFFFAOYSA-N 210.126 2.733 0 40 BFAB Cc1ccc(C)c(-c2c(C)n[nH]c2N)c1 100489132 VNYVWJORCPQSOQ-UHFFFAOYSA-N 201.273 2.584 0 40 BFAB CN1[C@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 102665952 NNCVFQYJJLNXGD-CKDQBVIESA-N 237.302 2.925 0 40 BFAB C[C@@H]1C[C@@H]1C(=O)N(C)C1C2CC3CC(C2)CC1C3 124287354 WAHFAXNUZGJZTJ-DTZPQEEQSA-N 247.382 2.926 0 40 BFAB CC(C)CN1C(=O)CCc2cc(S)ccc21 218791122 DKRVNKLZOHEFJZ-UHFFFAOYSA-N 235.352 2.911 0 40 BFAB CCN(CC)C(=O)CCc1ccc(OC)c(C)c1 223176077 RYKJGOZEEHDVCF-UHFFFAOYSA-N 249.354 2.805 0 40 BFAB CCc1ccccc1N(CC)[C@@H](CC)C(=O)O 224984892 MNVNHXZIJNWTKZ-LBPRGKRZSA-N 235.327 2.939 0 40 BFAB Cc1cc(Br)c(=O)[nH]c1C(C)C 225738758 SSAJWHZGYWFULA-UHFFFAOYSA-N 230.105 2.569 0 40 BFAB CC[C@H](C)[C@@H](C)N[C@@H]1CSC1(C)C 308297966 KQVTXCFLHNCHLF-IVZWLZJFSA-N 201.379 2.905 0 40 BFAB CNC(=O)/C(=C/c1ccco1)c1ccccc1 408875284 IQUWEXBHZJUIMK-JLHYYAGUSA-N 227.263 2.566 0 40 BFAB C[C@H](NC(=O)c1cccnc1)c1ccccc1 241578 OMMUQWMOPGBNGO-NSHDSACASA-N 226.279 2.573 0 40 BFAB CNc1nc(Cl)c(SC)c(NC(C)C)n1 1387582 BICSYWBECUXRON-UHFFFAOYSA-N 246.767 2.714 0 40 BFAB CC[C@@H](OC(=O)N(C)C)c1ccccc1 1608930 IDTXPNIILSVALZ-LLVKDONJSA-N 207.273 2.836 0 40 BFAB Cc1ccccc1OC(=O)c1ccccc1O 1692348 KITKATPLNVHGFC-UHFFFAOYSA-N 228.247 2.920 0 40 BFAB endogenous,in-man C[C@@H]1CCCCN1c1ccc(C(=O)O)cc1 2538803 SPRZVBOGDPANMG-SNVBAGLBSA-N 219.284 2.764 0 40 BFAB CCC(=O)[C@H]1CCCC[C@H]1C(C)(C)C(=O)O 3850146 DTKRFHZIFOHAMP-VHSXEESVSA-N 226.316 2.883 0 40 BFAB biogenic Cc1ccc(Cn2nc(C)c(C(=O)O)c2C)cc1 3887084 QHVTWKGAGKEAJV-UHFFFAOYSA-N 244.294 2.555 0 40 BFAB COc1cc2cc(C(C)=O)oc2cc1OC 5167561 PBFSOUHYSIPPGH-UHFFFAOYSA-N 220.224 2.653 0 40 BFAB biogenic CC[C@H](Nc1ccc(C)cc1C)C(=O)O 8702761 BQTIVCZODUDHDQ-JTQLQIEISA-N 207.273 2.579 0 40 BFAB CCCCNC(=S)N1CCCC[C@@H]1CC 13829372 JGGWKVCWFHKNCV-NSHDSACASA-N 228.405 2.926 0 40 BFAB Cn1cc(Br)nc1-c1ccccc1 22126063 RZZMXPHOJWEDNW-UHFFFAOYSA-N 237.100 2.850 0 40 BFAB Cc1cc(C(=O)Nc2cc(F)cc(F)c2)on1 26888608 PSKNQSBEWGSTIT-UHFFFAOYSA-N 238.193 2.514 0 40 BFAB C[C@](N)(c1ccccc1)[C@@H](O)c1ccccc1 26893700 ZGULRCHLTOMBNJ-GJZGRUSLSA-N 227.307 2.594 0 40 BFAB Cc1cc(-c2cccc(OC(C)C)c2)nc(N)n1 32603536 AKMZJYINPORMIO-UHFFFAOYSA-N 243.310 2.821 0 40 BFAB C[C@H]1CCCC[C@H]1N(C)C(=O)c1ccncc1 32787696 AKYARILXZCLJMB-WCQYABFASA-N 232.327 2.732 0 40 BFAB O=C(O)/C=C\c1ccc(F)c(C(F)(F)F)c1 33364690 DESJUJUEXMNIGB-RQOWECAXSA-N 234.148 2.942 0 40 BFAB FC(F)(F)COc1ccccc1CNC1CC1 34659167 CFDSICGYSMBRBB-UHFFFAOYSA-N 245.244 2.880 0 40 BFAB Cc1cc2ncn([C@H](C)CC(=O)O)c2cc1C 35741158 PXDPLWVNVVSVAZ-SNVBAGLBSA-N 232.283 2.689 0 40 BFAB COc1ccc(-c2c(C(C)(C)C)n[nH]c2N)cc1 36935795 WLFZGCMJRBQLDI-UHFFFAOYSA-N 245.326 2.965 0 40 BFAB C[C@H]1CCC[C@H](NCC(=O)Nc2ccccc2)C1 37255564 SSUSCBWROCZONY-JSGCOSHPSA-N 246.354 2.793 0 40 BFAB O=C(O)CCc1ccc(C(F)(F)F)cc1F 38529597 QMWPFJAQAQWUMS-UHFFFAOYSA-N 236.164 2.862 0 40 BFAB O=C(NCc1ccsc1)NC1CCCCC1 38586634 UELRVKYDHCCLPT-UHFFFAOYSA-N 238.356 2.880 0 40 BFAB CC[C@H](Nc1cccc(C)c1C)C(=O)OC 40019933 TWIRCMCEIGPLTK-NSHDSACASA-N 221.300 2.667 0 40 BFAB CC(C)c1ccc(-c2cc(CCN)n[nH]2)cc1 41143077 QFDUSNUWGOBAOW-UHFFFAOYSA-N 229.327 2.701 0 40 BFAB CS[C@H](C)C(=O)N[C@H](C)c1ccccc1C 42828792 WPRVRMDTLNMXSH-GHMZBOCLSA-N 237.368 2.924 0 40 BFAB Cc1cc(CN(C)CC2CCCCC2)no1 44715050 WVWQPWWRWCGMDE-UHFFFAOYSA-N 222.332 2.995 0 40 BFAB Cc1nn(Cc2ccccc2)c(C)c1[C@@H](C)O 54723091 OBMXQGGNQXIKRH-GFCCVEGCSA-N 230.311 2.602 0 40 BFAB CC(C)[C@H](C)NC(=O)Cc1ccccc1F 57160061 PWLUQKACKVMIDY-JTQLQIEISA-N 223.291 2.529 0 40 BFAB Cc1noc([C@H](C)N(C)CC2CCCCC2)n1 65575343 DCELEGLMGMCFBY-JTQLQIEISA-N 237.347 2.951 0 40 BFAB Cc1cnn(CCN[C@H](C)c2ccccc2F)c1 70037153 ZWYXECYCNUEOSE-GFCCVEGCSA-N 247.317 2.681 0 40 BFAB CC(C)(C)c1noc(COc2ccc(O)cc2)n1 70038112 SLFWILXGZKLVJC-UHFFFAOYSA-N 248.282 2.652 0 40 BFAB in-vitro Cc1cc(N(C)C)ncc1[C@H](N)c1ccccc1 72223114 MUOWCRVKJQPTON-OAHLLOKOSA-N 241.338 2.504 0 40 BFAB Nc1cc(-c2ccccc2)nn1CC1CCC1 79387417 BTAAQVYVGMIPEF-UHFFFAOYSA-N 227.311 2.932 0 40 BFAB CC[C@H](c1ccccc1)N(C)C(=O)[C@@H](N)C(C)C 79418738 OIELLIGGYXPQHX-KGLIPLIRSA-N 248.370 2.579 0 40 BFAB CNCCc1[nH]c2ccc(C)cc2c1C 83284268 VZDBSKIFQWSFLH-UHFFFAOYSA-N 202.301 2.547 0 40 BFAB Fc1cc(CNc2nncs2)ccc1Cl 83372070 CXUNTNUXBDTMAF-UHFFFAOYSA-N 243.694 2.943 0 40 BFAB O=C(c1cc(Cl)nnc1Cl)C(F)(F)F 91355979 CNORKIGAJMVUKG-UHFFFAOYSA-N 244.987 2.528 0 40 BFAB Cc1noc(-c2ccc(C(F)(F)F)cc2N)n1 93432441 XISMWECVYXUYOM-UHFFFAOYSA-N 243.188 2.646 0 40 BFAB CC[C@@H](N)c1ccc(Br)c(F)c1 95664050 LAYZBAKRHAVNAX-SECBINFHSA-N 232.096 2.998 0 40 BFAB C[C@@H]1CCCN(Cc2ccc(C=O)cc2)C1 95738624 SNIOBGRBIBSYSZ-GFCCVEGCSA-N 217.312 2.731 0 40 BFAB ClCc1nc(-c2ccnc(Cl)c2)no1 96032021 SQLKORLKTJZFBQ-UHFFFAOYSA-N 230.054 2.524 0 40 BFAB COc1ccc(F)c(CCC(=O)O)c1Cl 199557580 KBAZHSNTUAYWQU-UHFFFAOYSA-N 232.638 2.505 0 40 BFAB NCC[C@H]1CCCc2c1ncn2-c1ccccc1 217783885 JSSFBKVYQHKFQI-GFCCVEGCSA-N 241.338 2.641 0 40 BFAB CC[C@H](NC(=O)COC)c1ccc(C)cc1C 224467899 PONBBEPVHNYRTB-ZDUSSCGKSA-N 235.327 2.517 0 40 BFAB C[C@@H](OCc1ccc(Cl)cc1)[C@H]1CO1 256051754 KKNGNXVQLIIYOV-LDYMZIIASA-N 212.676 2.644 0 40 BFAB CC[C@@H](C)Nc1cccc(N2CCOCC2)c1 538527981 LDITXQMIRXODLS-GFCCVEGCSA-N 234.343 2.734 0 40 BFAB CCC[C@H](NC)C(=O)c1ccc(Cl)cc1 575440695 OPCMVVKRCLOEDQ-NSHDSACASA-N 225.719 2.911 0 40 BFAB in-vitro FC1(F)CCN(c2nc(C3CC3)ns2)CC1 585379792 CIVZODSESRSNJD-UHFFFAOYSA-N 245.298 2.651 0 40 BFAB O=C(Nc1ccc(F)c(F)c1)c1cccnc1 183309 UHQUVLUBUXSBBY-UHFFFAOYSA-N 234.205 2.612 0 40 BFAB O=C(NCCC1=CCCCC1)c1ccco1 362517 UKUNNKZMSMHCPK-UHFFFAOYSA-N 219.284 2.900 0 40 BFAB CC[C@@]1(C)OC(=O)N(c2ccccc2)[C@@]1(C)O 1055176 HZYGFMWHYMVDFI-OLZOCXBDSA-N 235.283 2.520 0 40 BFAB Clc1ccc2c(OCCN3CC3)ccnc2c1 1701202 PHOKHOLYYXIYFQ-UHFFFAOYSA-N 248.713 2.583 0 40 BFAB CCN(CC)C[C@@H]1C(=O)[C@]2(C)CC[C@H]1C2(C)C 3845441 PJDFPHPQOIPEKX-ZOWXZIJZSA-N 237.387 2.970 0 40 BFAB O=Cc1ccc(N2CCCC2)c(Cl)c1 4245486 HLQYXSCBWPVORZ-UHFFFAOYSA-N 209.676 2.753 0 40 BFAB Cc1ccc(-c2csc(NN)n2)cc1C 4294014 YIBBWRJJRPKZOL-UHFFFAOYSA-N 219.313 2.713 0 40 BFAB CCC(CC)C(=O)Nc1ccc2c(c1)OCCO2 4670526 PPBXHJLILLHPQV-UHFFFAOYSA-N 249.310 2.833 0 40 BFAB CCCC(=O)OCCCC[C@@H]1CCCO1 4684003 FGLPPRYMBOPADQ-LLVKDONJSA-N 214.305 2.679 0 40 BFAB CCC(CC)CN1CCSC1=S 5543539 ARZBNELJPBMQSL-UHFFFAOYSA-N 203.376 2.756 0 40 BFAB COc1ccc(C)cc1NC(=O)[C@H]1C[C@H]1C 5701533 CPKOFABARXXKLF-ZJUUUORDSA-N 219.284 2.598 0 40 BFAB O=C(Nc1nc2ccccc2s1)c1ccno1 9625035 CKONTJVLAOIAEP-UHFFFAOYSA-N 245.263 2.537 0 40 BFAB CCCCNC(=O)C1=Cc2ccccc2OC=C1 12274541 LVVQRVSBJNOVRH-UHFFFAOYSA-N 243.306 2.892 0 40 BFAB N[C@H](CCO)c1cccc(Oc2ccccc2)c1 12650447 OYWAHXNHRLBPHL-OAHLLOKOSA-N 243.306 2.861 0 40 BFAB CC[C@@H](C)c1ccc(O[C@@H]2CCNC2)cc1 14632243 NFVXUXZEGMODPO-BXUZGUMPSA-N 219.328 2.941 0 40 BFAB COc1ccccc1-c1ccc(Cl)nn1 15021749 ZCKBVNDUEOLHME-UHFFFAOYSA-N 220.659 2.806 0 40 BFAB in-vitro Cn1c(Cc2c[nH]c3ccccc23)n[nH]c1=S 15923766 HADGGUBBBRVURY-UHFFFAOYSA-N 244.323 2.550 0 40 BFAB Cc1nn(C)c(C)c1NC(=O)CCC1CCCC1 22837820 DYDMTVVYDNRAAL-UHFFFAOYSA-N 249.358 2.946 0 40 BFAB Cc1ccccc1CCC1CCNCC1 36379536 SRINKQNUZYWURJ-UHFFFAOYSA-N 203.329 2.927 0 40 BFAB in-vitro CNc1c(Cl)cc(C=O)cc1Cl 36381083 BLPKMVVXZZBBAP-UHFFFAOYSA-N 204.056 2.848 0 40 BFAB Cc1cc(C)c(-c2nn(C)c(N)c2C)c(C)c1 36938090 JXXYPBNQEHVJTR-UHFFFAOYSA-N 229.327 2.903 0 40 BFAB Cc1ccc([C@H](O)c2ccco2)c(C)c1 40245974 LBCKJGMWYZLKJB-ZDUSSCGKSA-N 202.253 2.978 0 40 BFAB COc1ccc(Cc2ccc(C(=O)O)o2)cc1 40449068 LDFSQMQEBLBBFB-UHFFFAOYSA-N 232.235 2.577 0 40 BFAB CCN(Cc1nc(-c2cccs2)no1)C1CC1 40501378 YIINDDQZSJTWAG-UHFFFAOYSA-N 249.339 2.782 0 40 BFAB COc1cccc(C(=O)CCCCC(=O)O)c1 43212885 FIPMUXZDIZTVMD-UHFFFAOYSA-N 236.267 2.523 0 40 BFAB FC(Cl)(Br)Br 43919895 HEDKQVNHJZBFQR-UHFFFAOYSA-N 226.270 2.596 0 40 BFAB Cc1cccc(C)c1-n1ccnc(Cl)c1=O 44845973 RIAUDEMEZABHMB-UHFFFAOYSA-N 234.686 2.503 0 40 BFAB Cc1ncsc1Cc1ccc(C(=O)O)cc1 71478101 HUZPFSWIRNPCSM-UHFFFAOYSA-N 233.292 2.741 0 40 BFAB CCCC(=O)NCCOC1CCCCCC1 71911128 LSYMRKHGACZLOW-UHFFFAOYSA-N 227.348 2.642 0 40 BFAB O=C(OCc1ccco1)[C@H]1C[C@H]2C=C[C@@H]1C2 72232650 NKLRWURIOVXVAB-UMNHJUIQSA-N 218.252 2.535 0 40 BFAB O=C(O)c1nnc(-c2cccc(Cl)c2)s1 75095417 JYCOWLGEUUHMGQ-UHFFFAOYSA-N 240.671 2.557 0 40 BFAB COc1cccc([C@H](C)Sc2nc(C)n[nH]2)c1 83203264 FGDIAOHWSQTNHM-QMMMGPOBSA-N 249.339 2.975 0 40 BFAB Cc1cccc(C(=O)c2ccc(C(=O)O)o2)c1 85394364 LOPAVLDBMRKEQW-UHFFFAOYSA-N 230.219 2.517 0 40 BFAB CCCN(c1ncnc(CC)c1F)C1CC1 95467547 MOGPDQXDKXSIRV-UHFFFAOYSA-N 223.295 2.557 0 40 BFAB CC[C@@](C)(O)[C@H]1CC(c2ccc(C)cc2)=NO1 96319417 WJKSDILBKCMZDO-ZIAGYGMSSA-N 233.311 2.649 0 40 BFAB CCS[C@@H]1CCC[C@H]1NC(=O)C1CCCC1 96450672 IOKQYDOGBPGVPN-VXGBXAGGSA-N 241.400 2.967 0 40 BFAB CC(C)(C)[C@@H]1CCc2ncc(O)cc2C1 96510558 DSNLBPKTROMURY-SNVBAGLBSA-N 205.301 2.938 0 40 BFAB COC(=O)c1oc2c(C)cccc2c1OC 96510795 PEAGAHLIMUAPJI-UHFFFAOYSA-N 220.224 2.536 0 40 BFAB Oc1cc(-c2ccc(OC(F)(F)F)cc2)no1 97913856 RGMGPQGEAAYVLI-UHFFFAOYSA-N 245.156 2.946 0 40 BFAB Fc1cccc(CN[C@@H]2CCCSC2)c1F 98018525 YOUVLCFJCVVLNP-SNVBAGLBSA-N 243.322 2.950 0 40 BFAB Cc1cccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 100490991 PSKSWJCLXCHTTR-STQMWFEESA-N 243.306 2.675 0 40 BFAB COc1ccc([C@@H](O)O[C@H]2C[C@H]3C=C[C@H]2C3)cc1 104189078 REYIVYQWCBKMPL-LVGORTOPSA-N 246.306 2.667 0 40 BFAB Cc1ccc2cc([C@H](C)NN)ccc2c1 199535860 YHFRLGNHOOIZFN-JTQLQIEISA-N 200.285 2.673 0 40 BFAB Cc1ccc(C(=O)c2ccncc2N)c(C)c1 199711288 HTUUFGYFNYUPSJ-UHFFFAOYSA-N 226.279 2.512 0 40 BFAB COC(=O)C1(c2ccc(C)cc2C)CC1 257919980 YABKHZLLUHZFSC-UHFFFAOYSA-N 204.269 2.508 0 40 BFAB OCC12CC(C(F)(F)c3ccccc3)(C1)C2 575624115 HRWZODSLVJRILA-UHFFFAOYSA-N 224.250 2.941 0 40 BFAB Cc1nc(OCc2ccncc2)sc1C 585651175 ASXPYEHYOYDQDU-UHFFFAOYSA-N 220.297 2.734 0 40 BFAB Cc1coc(C(=O)N[C@@H](C)c2cscn2)c1 718537782 ITEDSGMNGQAMJM-QMMMGPOBSA-N 236.296 2.536 0 40 BFAB CNc1scc(-c2ccc(Cl)cc2)[n+]1C 64539 WNBWWSGKEXWPLK-UHFFFAOYSA-O 239.751 2.935 0 40 BFAB C[C@@H](c1ccccc1)n1c(=O)[nH]c2ccccc21 1424690 BRGWBLVOBBLKET-NSHDSACASA-N 238.290 2.939 0 40 BFAB C[C@]1(c2ccccc2)CCCC[C@H]1OC(N)=O 1628107 ACCLPWAXDNXWOT-TZMCWYRMSA-N 233.311 2.982 0 40 BFAB C[C@@H]1CCc2nc(NC(=O)C3CC3)sc2C1 3264888 FSKSWBHISHRICV-SSDOTTSWSA-N 236.340 2.616 0 40 BFAB CCCC[C@@]1(C)Cc2ccccc2C(=O)N1 4141451 IKSYTJSORSQIDQ-AWEZNQCLSA-N 217.312 2.921 0 40 BFAB biogenic C1=CC[C@@H](CNCc2ccc3c(c2)OCO3)CC1 4559761 NXTXEOBNACNUAG-GFCCVEGCSA-N 245.322 2.861 0 40 BFAB CCC[C@@H](C)NC(=O)[C@@H](OC)c1ccccc1 6945574 LFMCEOXMCOUKHF-YPMHNXCESA-N 235.327 2.679 0 40 BFAB Cc1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1C 7638202 QNRXZAYXVFZKQV-CMPLNLGQSA-N 203.285 2.898 0 40 BFAB Cc1cc(N)ccc1OC[C@@H]1CCCCO1 14630483 ODBCGBIXTCKZAF-LBPRGKRZSA-N 221.300 2.525 0 40 BFAB in-vitro C[C@H]1CCCN(C(=O)/C=C\c2ccccc2)C1 17023926 NTENAXUBMPWURD-XPSMFNQNSA-N 229.323 2.958 0 40 BFAB CC1=C[C@H](C)[C@H](C2N3CCCN2CC3)[C@H](C)C1 19325819 HFPVWFVWBIWBRP-MJBXVCDLSA-N 234.387 2.572 0 40 BFAB CC(C)(C)OC(=O)c1ccc(Cl)cc1N 20156089 QRIBGONDDJLXLR-UHFFFAOYSA-N 227.691 2.878 0 40 BFAB Cc1cc(NCc2cc(F)ccc2F)nn1C 20354243 XZUXWFLZKJAGLQ-UHFFFAOYSA-N 237.253 2.619 0 40 BFAB CCOC(=O)/C(F)=C(/F)c1cccc(OC)c1 26897090 IGLSDIUGKSYIQD-KHPPLWFESA-N 242.221 2.866 0 40 BFAB CC(C)CNC(=O)c1cc(-c2cccs2)[nH]n1 32611050 BLYYDWSWDGDDNH-UHFFFAOYSA-N 249.339 2.524 0 40 BFAB Cc1cc(CN)c(C)n1Cc1ccccc1 34936127 GBLVMFFJGRFAAB-UHFFFAOYSA-N 214.312 2.612 0 40 BFAB CC(C)CCC[C@@H](C)NC1CCOCC1 36304363 PCYABIQPSJWCRC-GFCCVEGCSA-N 213.365 2.970 0 40 BFAB CCC(CC)N[C@H](C)c1nnc2ccccn12 36969065 VTZBZXONYQHTKM-SNVBAGLBSA-N 232.331 2.569 0 40 BFAB O=C(O)[C@H]1C[C@H]1c1ccc(Cl)s1 37381099 FJXYZGVJJOLGLQ-UHNVWZDZSA-N 202.662 2.590 0 40 BFAB O[C@@H]1CCC[C@H]1Oc1cccc2cccnc12 37694992 OMWJIYXJDOYWQS-VXGBXAGGSA-N 229.279 2.527 0 40 BFAB Cc1cc(C)cc(C2=NC(C)(C)C(=O)C2)c1 38337798 NFDIQCDOWXCXKP-UHFFFAOYSA-N 215.296 2.844 0 40 BFAB CCN(CC)C(=O)CCc1ccc(F)c(F)c1 40073380 GXXWGQUZKXVDGC-UHFFFAOYSA-N 241.281 2.766 0 40 BFAB CCCNCc1csc(C(C)(C)C)n1 40444697 QCKMNDWCSAUNMD-UHFFFAOYSA-N 212.362 2.940 0 40 BFAB CC(C)C[C@H](CO)NCC1CCCCC1 40773442 YNFXLTPTLLFBIS-CYBMUJFWSA-N 213.365 2.563 0 40 BFAB CCC(CC)C(=O)N1CCO[C@@H]2CCCC[C@@H]21 41194570 YOPFGUNYXPWGOF-QWHCGFSZSA-N 239.359 2.593 0 40 BFAB O[C@@]1(C(F)(F)F)CCCc2ccccc21 43367952 BDTPMXRVQUXISY-JTQLQIEISA-N 216.202 2.773 0 40 BFAB CCCC(C)(C)NC(=O)c1cc(C(C)C)[nH]n1 50808133 OQHKXQXGFMVSOS-UHFFFAOYSA-N 237.347 2.842 0 40 BFAB Clc1cccc(CCNc2ncccn2)c1 60462551 JLZUYKZWAPJSKU-UHFFFAOYSA-N 233.702 2.785 0 40 BFAB CN(C)C(=O)c1ccccc1Oc1cccnc1 69369016 GQMSRPSAJZZVAG-UHFFFAOYSA-N 242.278 2.576 0 40 BFAB Cc1ccc2nccc(/C=C/C(=O)O)c2c1 72206432 WTWRATJIXZJHPS-HWKANZROSA-N 213.236 2.641 0 40 BFAB FC(F)(F)[C@@H]1CCC[C@H](NC2CC2)C1 82862726 VQLHTKKDZLUWDC-APPZFPTMSA-N 207.239 2.860 0 40 BFAB C[C@H](c1ccccn1)N(C)Cc1ccccn1 91990739 MLIJUFZTDPFALN-GFCCVEGCSA-N 227.311 2.670 0 40 BFAB CC(=O)N1CCC[C@H]1c1cccc(C)c1C 95401332 VONYLSRDYWMGDN-AWEZNQCLSA-N 217.312 2.987 0 40 BFAB CCC(CC)[C@H]1CCN(CCCCO)C1 96414996 VVANZIMZTKAJEW-ZDUSSCGKSA-N 213.365 2.517 0 40 BFAB CC1(C)CC(=O)C(Cc2ccccc2)C(=O)C1 101102168 FGUGJYYMGVEIJL-UHFFFAOYSA-N 230.307 2.804 0 40 BFAB CC[C@H]1NCCc2nc(C(C)C)sc21 218331766 QTENRKKJCYOFSY-MRVPVSSYSA-N 210.346 2.863 0 40 BFAB COc1ccc(CCC(=O)NC(C)(C)C)cc1C 223463825 LEQQBCNGYIPFFK-UHFFFAOYSA-N 249.354 2.851 0 40 BFAB CC(C)Oc1ccc(-n2cccc2CO)cc1 223737748 NSVPSCSXQZLKEP-UHFFFAOYSA-N 231.295 2.757 0 40 BFAB Cc1cccc(NC(=S)NCCC(C)C)n1 225381287 VGNXRFGGEHFAHP-UHFFFAOYSA-N 237.372 2.723 0 40 BFAB FCCCCCNc1ccc(-n2cncn2)cc1 225433062 OYKLMIIRBPBCDS-UHFFFAOYSA-N 248.305 2.819 0 40 BFAB C[C@@H]1C[C@@H](N)CC[C@H]1C[C@H]1CC[C@@H](N)C[C@H]1C 247836689 NTGJOYPFNABNES-LACSLYJWSA-N 238.419 2.904 0 40 BFAB CC(C)Oc1cc(F)c(C=O)c(F)c1 257841483 KDYUJXMONZLDTE-UHFFFAOYSA-N 200.184 2.565 0 40 BFAB COC(=O)CCC(=O)c1cccc(SC)c1 394531473 YEOZDDFYEVRSQV-UHFFFAOYSA-N 238.308 2.544 0 40 BFAB CCCc1c(O)ccc(C(=O)CC)c1O 160228 IRVNBDDMJSVRGI-UHFFFAOYSA-N 208.257 2.643 0 40 BFAB COc1ncnc2c1[nH]c1ccc(Cl)cc12 545333 UVRHXCKIYQWIGD-UHFFFAOYSA-N 233.658 2.773 0 40 BFAB CC(C)OC(=O)Nc1ccc(F)c(F)c1 1682756 KJMYRAAIAPTFSW-UHFFFAOYSA-N 215.199 2.922 0 40 BFAB NCc1csc(-c2ccc(Cl)cc2)n1 2563882 VKDRCHSOPIBEQD-UHFFFAOYSA-N 224.716 2.922 0 40 BFAB in-vitro CC(C)C[C@@H](C(=O)O)N(C)Cc1ccccc1 3201463 BMANSRYJGUIRIZ-ZDUSSCGKSA-N 235.327 2.618 0 40 BFAB biogenic,in-vitro O=C(OCc1cccs1)c1ccco1 3258389 LZRWNUHWWOKSSY-UHFFFAOYSA-N 208.238 2.698 0 40 BFAB CCNC(=O)c1ccc2[nH]c(C)c(C)c2c1 3415569 VWCKWSZCROUNAF-UHFFFAOYSA-N 216.284 2.534 0 40 BFAB O[C@H]1CSc2ccccc2-n2cccc21 5487137 OURJFZBVOQLNDN-NSHDSACASA-N 217.293 2.616 0 40 BFAB CCN(CC)CCCOc1ccccc1C=O 8731595 HWYCWTKADVFHDI-UHFFFAOYSA-N 235.327 2.610 0 40 BFAB O[C@@H](c1ccc2c(c1)CCC2)c1ccccn1 11535757 CSMIOOMIRPGDKD-HNNXBMFYSA-N 225.291 2.652 0 40 BFAB CCN(CC)C(=O)c1cc(-c2ccccc2)[nH]n1 12535070 VGFJYVYHWTZZII-UHFFFAOYSA-N 243.310 2.559 0 40 BFAB CCCCC(=O)c1ccccc1C(=O)OC 14619965 QTUYJWKFWYJIOM-UHFFFAOYSA-N 220.268 2.846 0 40 BFAB biogenic,in-vitro Cc1ccc(Br)c2nc(N)sc12 15442806 PYZZROCLYVMLNB-UHFFFAOYSA-N 243.129 2.949 0 40 BFAB CC(C)CCO[C@@H](C(=O)O)c1ccccc1 19504012 FGHDZIRKBRPXGB-GFCCVEGCSA-N 222.284 2.875 0 40 BFAB Cc1cccc(NCc2cnn(C)c2)c1C 20075214 SIIQWFJGOHVJPL-UHFFFAOYSA-N 215.300 2.649 0 40 BFAB CCONC(=O)c1ccc2c3c(cccc13)CC2 22875361 AOXBRQOXJVXRKB-UHFFFAOYSA-N 241.290 2.620 0 40 BFAB Clc1ccccc1COC[C@@H]1CCCCN1 28521900 KWTRAZLDOXHZKO-LBPRGKRZSA-N 239.746 2.999 0 40 BFAB Cc1ccc(C(=O)N(C)Cc2ccc(C)o2)cn1 32903692 SFGRKIDHXYHEKI-UHFFFAOYSA-N 244.294 2.564 0 40 BFAB CCNCc1ccc(OCC(C)C)cc1 34657571 DMTSWOGBBZKUPE-UHFFFAOYSA-N 207.317 2.831 0 40 BFAB O=C(Nc1ccccn1)c1cc2ccccc2[nH]1 35148695 BIZBLRFCEDRTKS-UHFFFAOYSA-N 237.262 2.815 0 40 BFAB C[C@@H](Nc1ccn(C)n1)c1c(F)cccc1F 37560490 BFFKKCNXDNWZFV-MRVPVSSYSA-N 237.253 2.871 0 40 BFAB Cc1ncsc1C(=O)N1C[C@@H](C)C[C@@H](C)C1 40529531 HGTIFLSSBNVNEZ-DTORHVGOSA-N 238.356 2.570 0 40 BFAB CCc1ncc(C(=O)NC(C)(C)CC)s1 65048489 UQQJFHLOBMBYCZ-UHFFFAOYSA-N 226.345 2.624 0 40 BFAB CCC[C@H](C(=O)N[C@@H](C)COC)c1ccccc1 65621866 PEXNPUNIMLLHFL-JSGCOSHPSA-N 249.354 2.721 0 40 BFAB Fc1cccc2[nH]c(C(F)(F)F)nc12 70236084 KJUWDDLXAIAGAQ-UHFFFAOYSA-N 204.126 2.721 0 40 BFAB in-vitro O=C(O)c1ccccc1OCc1ccccc1O 71618448 BARHUOZEZKIXCX-UHFFFAOYSA-N 244.246 2.669 0 40 BFAB N=C(N)SCc1ccccc1C(F)(F)F 71980733 UPHJZPQEQPMJAA-UHFFFAOYSA-N 234.246 2.832 0 40 BFAB CCC(=O)c1cnc(Br)cc1C 72222950 JUHQWPTXODIOND-UHFFFAOYSA-N 228.089 2.745 0 40 BFAB Cc1n[nH]c(SCc2cnc(Cl)s2)n1 79016451 QDNQDRCZZDWQBC-UHFFFAOYSA-N 246.748 2.515 0 40 BFAB O=C(c1c[nH]c2ccc(F)cc12)N1CCCCC1 82272962 JJGJIRSXFMBXPC-UHFFFAOYSA-N 246.285 2.933 0 40 BFAB COc1ccc2cccc(NC(C)=O)c2c1 85210666 ROIBKRTYRRRTPJ-UHFFFAOYSA-N 215.252 2.807 0 40 BFAB C[C@@H]1C[C@H]([C@H](F)C(=O)O)CC(C)(C)C1 88157436 JEGHILZSWHCDQW-VGMNWLOBSA-N 202.269 2.872 0 40 BFAB Cc1cnc(CSc2ccccc2O)cn1 89702259 JCLLVCLEQQPOOK-UHFFFAOYSA-N 232.308 2.783 0 40 BFAB CC(C)CCOc1cc(F)cc(C(=O)O)c1 95732475 OOMKSSBLPRWPKV-UHFFFAOYSA-N 226.247 2.949 0 40 BFAB O=Cc1ccnc(C(F)(F)F)c1Cl 95762004 PUINJBDLNMNQBB-UHFFFAOYSA-N 209.554 2.566 0 40 BFAB O=C(NC[C@@H]1C[C@@H]2CC[C@@H]1C2)c1cccs1 100936861 UMDFYPUNCLCKTA-MXWKQRLJSA-N 235.352 2.914 0 40 BFAB C[C@@H](N[C@H]1CCCC[C@@H]1N)c1ccccc1 145838461 QQTZYYSHFALROI-XBFCOCLRSA-N 218.344 2.607 0 40 BFAB CCOc1c(Cl)cc(F)cc1C(=O)O 213236372 RAWLFQBHDXDOIP-UHFFFAOYSA-N 218.611 2.576 0 40 BFAB Cc1ccc(C)c(N[C@@H]2CCC[C@H]2N)c1 218879268 DCHVTGCOGVKPKL-VXGBXAGGSA-N 204.317 2.595 0 40 BFAB CCn1nccc1CNc1nn(C(C)C)cc1C 256051190 IBQFVLIGNNUQCT-UHFFFAOYSA-N 247.346 2.601 0 40 BFAB CCC(C)(C)C(=O)NCc1ccccc1F 263794061 QRJRCHHZMYZEDC-UHFFFAOYSA-N 223.291 2.878 0 40 BFAB Nc1cnc2cc(F)c(Br)cc2c1 584882830 VCXSXDZQHIDHKS-UHFFFAOYSA-N 241.063 2.719 0 40 BFAB Cc1ccccc1OS(=O)(=O)c1ccccc1 1599311 CCAQUIZLJKHKPH-UHFFFAOYSA-N 248.303 2.763 0 40 BFAB Cc1ccc([C@H](O)C(=O)C(C)(C)C)cc1 2043251 VXHKCXUJZGXERD-NSHDSACASA-N 206.285 2.644 0 40 BFAB c1ccc(-c2n[nH]c(-c3ccncc3)n2)cc1 3158836 FFKGGRPAHKNYHP-UHFFFAOYSA-N 222.251 2.534 0 40 BFAB Cc1ccc(OCc2csc(N)n2)cc1 3885560 AOQXGZHMRPHEGS-UHFFFAOYSA-N 220.297 2.613 0 40 BFAB in-vitro COC(=O)N1C=N[C@@H]2[C@@]3(C)C(C)=C(C)[C@@]3(C)[C@]21C 5179773 VKKNOGRYQAHSRF-ZRJCITRHSA-N 248.326 2.600 0 40 BFAB Cc1cnc(C(=O)Nc2ccccc2Cl)cn1 6341051 WCKIBKVTZOMXCL-UHFFFAOYSA-N 247.685 2.691 0 40 BFAB CCN(CC)C(=O)c1ccc(OC(C)C)cc1 8570301 UBVCQKTXPFMKOL-UHFFFAOYSA-N 235.327 2.956 0 40 BFAB Cc1ccc(C(=O)Nc2ccncc2)cc1F 12528491 QKSHOFWXBIAWKI-UHFFFAOYSA-N 230.242 2.781 0 40 BFAB O=C(O)[C@@H]1CCc2sc(-c3ccccc3)nc21 17192274 AEAIEXCUUWOBJH-SECBINFHSA-N 245.303 2.925 0 40 BFAB COc1ccc(NCc2cccnc2)c(OC)c1 19903354 NKACURTYVDTAQY-UHFFFAOYSA-N 244.294 2.711 0 40 BFAB CCOC(=O)c1c(C)[nH]c2c1C(=O)CC(C)(C)C2 22126447 VUIHTCOQWLPZFG-UHFFFAOYSA-N 249.310 2.655 0 40 BFAB C=CC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 37007800 ZGSWINWCGUWHEF-LLVKDONJSA-N 229.323 2.929 0 40 BFAB Cc1ccc(C)n1[C@H]1CCNC2(CCC2)C1 41054346 QLFCBNXUXRVKJV-ZDUSSCGKSA-N 218.344 2.952 0 40 BFAB in-vitro O[C@@H]1CCc2cc(Cl)cc(Cl)c21 42405577 MSBZPTHVBLQOPJ-MRVPVSSYSA-N 203.068 2.973 0 40 BFAB in-vitro CCOC(=O)n1ccc2ccc(Cl)nc21 43220664 WWOGRMWUPOAZIT-UHFFFAOYSA-N 224.647 2.694 0 40 BFAB in-vitro O=c1cc(-c2cccc(Cl)c2)[nH]c(=S)[nH]1 45918681 ZQJGIKUMJHNRAN-UHFFFAOYSA-N 238.699 2.753 0 40 BFAB C[C@H]1CC(=O)Nc2ccc(Br)cc21 59219198 HRDONPIKXJKBQC-LURJTMIESA-N 240.100 2.895 0 40 BFAB CCCCN[C@H](C)[C@H](C)n1cc(C)cn1 69845105 YYMIBHHLIXYWTA-NEPJUHHUSA-N 209.337 2.531 0 40 BFAB CCCc1nccn1Cc1cccc(C(=O)O)c1 70535646 OLNVHWFAPQJTON-UHFFFAOYSA-N 244.294 2.582 0 40 BFAB O=c1ccc(F)cn1Cc1ccccc1Cl 71516308 BVSJZNFJPBSXBG-UHFFFAOYSA-N 237.661 2.689 0 40 BFAB CCCCN1CCC[C@@H]1c1cnc(N)c(C)c1 72218445 ORENZSQRQBVTFZ-CYBMUJFWSA-N 233.359 2.909 0 40 BFAB CC[C@H](C)[C@H](N)CN(C)CCc1ccccc1 88243046 CKSJPVOOZAFKCS-DZGCQCFKSA-N 234.387 2.534 0 40 BFAB O=Cc1nc(-c2cc(Cl)ccc2Cl)no1 89262080 ZSNLBTACVFSDRC-UHFFFAOYSA-N 243.049 2.856 0 40 BFAB Cc1n[nH]c(-c2ccc(NCC3CC3)cc2)n1 95983289 YLTSNIGJNDQORS-UHFFFAOYSA-N 228.299 2.602 0 40 BFAB CCc1cnc([C@H](C)Nc2ncccn2)s1 96455830 HNJCYNCXJWTARX-QMMMGPOBSA-N 234.328 2.669 0 40 BFAB CN(CCC(=O)c1ccc(F)cc1)CC(F)F 96495511 OVCMEWBQJQGCPV-UHFFFAOYSA-N 245.244 2.595 0 40 BFAB O=C(CCSCC1CC1)N1CCCCC1 96500738 RWNBFHCLHXRNDE-UHFFFAOYSA-N 227.373 2.532 0 40 BFAB CSc1cccc(N(C)Cc2cc[nH]n2)c1 97139352 TZNMRPBXPZPTMW-UHFFFAOYSA-N 233.340 2.768 0 40 BFAB Cc1cc(CC(=O)O)c(F)c(C(F)(F)F)c1 98210810 DAPNLWNKOLBHRE-UHFFFAOYSA-N 236.164 2.780 0 40 BFAB CCCc1cc(O)n(-c2cccc(C)c2)n1 100070192 DPARVZALFKRSDG-UHFFFAOYSA-N 216.284 2.839 0 40 BFAB CC1(C)C[C@H](NC(=O)C2CC2)c2ccccc2O1 121929948 SJWCBXBZFXHZCW-LBPRGKRZSA-N 245.322 2.815 0 40 BFAB COc1ccccc1-n1nnc2cc(C)ccc21 199728508 ZCOPVXUSMRMTSW-UHFFFAOYSA-N 239.278 2.738 0 40 BFAB O=Cc1cc(-c2ccccc2)cnc1F 209833350 AHNSIPWHRURRIH-UHFFFAOYSA-N 201.200 2.700 0 40 BFAB Cc1nn(C(F)F)cc1NCC(C)C 256054299 VUMGHVRCZFAEJR-UHFFFAOYSA-N 203.236 2.655 0 40 BFAB CCCn1ncc(Br)c1COCC 408716104 IWJFXPOBSIHGRK-UHFFFAOYSA-N 247.136 2.592 0 40 BFAB Cc1ccnc(OC2CCC(N(C)C)CC2)c1 585654795 MAMGPWYMQWFYPI-UHFFFAOYSA-N 234.343 2.642 0 40 BFAB FC[C@@H]1CCN(c2nc3ccccc3o2)C1 882842190 PFEZWMPCUPQWIW-VIFPVBQESA-N 220.247 2.624 0 40 BFAB Cc1cccc(C)c1NC[C@@H](C)N(C)C 5161202 LEUPJNFHCWHPOC-GFCCVEGCSA-N 206.333 2.665 0 40 BFAB CCN(CC)c1ccc(-c2nnc(S)o2)cc1 5931001 XAGYYKLPUHUWLB-UHFFFAOYSA-N 249.339 2.872 0 40 BFAB c1ccc2c(CCN[C@@H]3CCSC3)c[nH]c2c1 6650983 ASJRBSWOOOQRCE-GFCCVEGCSA-N 246.379 2.806 0 40 BFAB Cc1cnc(NC(=O)CC2CCCC2)s1 8428143 YTICXTOIDJXZJA-UHFFFAOYSA-N 224.329 2.970 0 40 BFAB O=C(O)c1csc(C2CCCCC2)n1 11760900 SPAVOOMEYUWSIW-UHFFFAOYSA-N 211.286 2.889 0 40 BFAB in-vitro c1cncc([C@@H]2Nc3ccccc3CO2)c1 14000539 OTXBKWRXFUQHSL-CYBMUJFWSA-N 212.252 2.723 0 40 BFAB COC(=O)/C=C(C)/C=C\c1cc(C(C)=O)c(C)o1 17198519 BFFQTAPFPPQJQX-BZWSEGBZSA-N 248.278 2.923 0 40 BFAB CCOc1ccc(NC(=O)C2CCC2)cc1OC 18827593 PSKGEOIWDDKPGS-UHFFFAOYSA-N 249.310 2.833 0 40 BFAB COCCNCCc1cccc2ccccc12 19738045 VMCMRKPZIJHBFZ-UHFFFAOYSA-N 229.323 2.618 0 40 BFAB COc1ccc(COc2cccc(F)c2)cc1N 21520790 OOECXWAJHCDUNS-UHFFFAOYSA-N 247.269 2.996 0 40 BFAB in-vitro CN(C)CCNCc1ccc(Cl)cc1Cl 22075243 PEZHCWCUHHVYED-UHFFFAOYSA-N 247.169 2.645 0 40 BFAB NC(C(=O)O)(C1CCCCC1)C1CCCCC1 26895062 NQAJYYHZPJZJQC-UHFFFAOYSA-N 239.359 2.929 0 40 BFAB CCC[C@H](C)NC(=O)c1cc(F)cc(F)c1 28210540 SIAGJOARRCRRMX-QMMMGPOBSA-N 227.254 2.883 0 40 BFAB C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccco1 32787717 VYXBJTIVSBVZOH-MNOVXSKESA-N 221.300 2.930 0 40 BFAB CCOC(=O)C[C@@H](C)CC(=O)c1ccccc1 39249324 YBWFBAQVWOMRQV-NSHDSACASA-N 234.295 2.849 0 40 BFAB Oc1ccc2nccc(Br)c2c1 39953700 QEWVVXINHILXNR-UHFFFAOYSA-N 224.057 2.703 0 40 BFAB C[C@@H](Nc1ncccn1)c1ccccc1F 42200441 ZGWNMSCDGZNKSJ-SECBINFHSA-N 217.247 2.789 0 40 BFAB COCC(=O)c1ccc(C(C)(C)C)cc1 43504713 CTEJMARLDCPALU-UHFFFAOYSA-N 206.285 2.813 0 40 BFAB Cc1cc(C(=O)c2cccc(F)c2F)ccn1 45038574 MVFZJKPEDFPQOD-UHFFFAOYSA-N 233.217 2.899 0 40 BFAB Fc1ccc2c(c1)CC[C@@H]2Nc1ncccn1 49322338 IDQRIUGRRWXESE-LBPRGKRZSA-N 229.258 2.715 0 40 BFAB CC[C@H](C(=O)O)N(CC)c1cccc(C)c1 58130249 GDSWRYPJNOGZJH-GFCCVEGCSA-N 221.300 2.685 0 40 BFAB Clc1cccc(Cl)c1COC[C@@H]1CO1 59469778 QEDYWVUBXHTVSV-SSDOTTSWSA-N 233.094 2.909 0 40 BFAB CCc1noc(C)c1C(=O)N1CCCCCC1 61468505 CZSFSIYBYDQINT-UHFFFAOYSA-N 236.315 2.562 0 40 BFAB Cc1cc(C)c2oc(C3CCNCC3)nc2c1 62529956 OSFIOGOCYXNESJ-UHFFFAOYSA-N 230.311 2.912 0 40 BFAB OC[C@@H]1C[C@H]1c1ccccc1Br 62720232 ZPRZKFTVHGLWGC-IONNQARKSA-N 227.101 2.545 0 40 BFAB Cc1cc(Cn2ccc(-c3ccccc3)n2)on1 69846927 NZSXDDBIVOXNTA-UHFFFAOYSA-N 239.278 2.895 0 40 BFAB C[C@@H]1CC(C(=O)O)C[C@@H](C)N1Cc1ccccc1 72206931 XQLOXEGMRWFFRY-VXGBXAGGSA-N 247.338 2.760 0 40 BFAB O=Cc1nccc2c(Br)cccc12 72206996 KCOOQXUNVYMHGV-UHFFFAOYSA-N 236.068 2.810 0 40 BFAB CCN1CCCC[C@H]1c1cccnc1S 72217078 JKQZEQWWDHVWOR-NSHDSACASA-N 222.357 2.917 0 40 BFAB CCN1CCCC[C@H]1c1cnc(N)cc1C 72218517 VGDPRRRFEUOXRE-LBPRGKRZSA-N 219.332 2.519 0 40 BFAB CCCC(=O)N1CCCC[C@H]1c1ccnc(C)n1 72361191 JEDPZKJHPIERPI-ZDUSSCGKSA-N 247.342 2.639 0 40 BFAB Fc1ccc(-n2nnnc2-c2cccs2)cc1 73641623 SBJMZAKWZJDMLH-UHFFFAOYSA-N 246.270 2.530 0 40 BFAB O=C(C1CC=CC1)N1CC[C@H]2CCCC[C@@H]21 76985123 QCBVNZPXMGZBJL-YPMHNXCESA-N 219.328 2.744 0 40 BFAB CCC(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1 78731667 PXJGATVGHOMLSE-CQSZACIVSA-N 246.354 2.524 0 40 BFAB CCn1cc(NC(=O)C=C(C2CC2)C2CC2)cn1 79712267 MZSPQKAUSJOGGH-UHFFFAOYSA-N 245.326 2.588 0 40 BFAB CC[C@H]1C[C@@H](C)CN1CCN1CCCCC1 80660072 OEYPFPDYDWDACF-KGLIPLIRSA-N 224.392 2.593 0 40 BFAB CC(C)COc1ccc(F)cc1[C@@H](C)O 87111724 JZEBNQPZZRYBIG-SECBINFHSA-N 212.264 2.914 0 40 BFAB CC(C)C[C@H](N)CN(C)CCc1ccccc1 88243073 JXNOAOYAJFEBCE-HNNXBMFYSA-N 234.387 2.534 0 40 BFAB CC(C)COc1cc(Br)ccn1 91366009 HMGVWECKFKGJDZ-UHFFFAOYSA-N 230.105 2.879 0 40 BFAB C[C@H]1CCC[C@@H](CSc2nncn2C)C1 92199099 JVCPIIVYJIBDRV-VHSXEESVSA-N 225.361 2.734 0 40 BFAB CC[C@H]1CCCN(C(=O)C2CC=CC2)CC1 95400126 RFGJWBADZZMGKK-LBPRGKRZSA-N 221.344 2.991 0 40 BFAB Cc1ccc([C@H](CN)N2CCCCC2)cc1C 95532270 UQRQNEQUMXFKIZ-HNNXBMFYSA-N 232.371 2.789 0 40 BFAB CC(=O)OCCc1ccc(Cl)c(F)c1 95729982 TWUNDRPGXKUQAR-UHFFFAOYSA-N 216.639 2.585 0 40 BFAB O=C(O)c1c[nH]c2cc(-c3ccccc3)cnc12 95933434 JPBYOYIPTUQITI-UHFFFAOYSA-N 238.246 2.928 0 40 BFAB in-vitro O=C(O)c1ccc(OCCC2CCC2)cc1 96511818 KQLBNYFWRJBNIA-UHFFFAOYSA-N 220.268 2.954 0 40 BFAB CCc1csc(Cc2cn3ccccc3n2)n1 98014188 AKFSUQDJFWISRH-UHFFFAOYSA-N 243.335 2.944 0 40 BFAB CCN(CC)C(=O)[C@H](C)Sc1ccoc1C 131494621 FYQWZJJAISAQBN-JTQLQIEISA-N 241.356 2.937 0 40 BFAB c1cc([C@H]2CCCCN2Cc2nccs2)[nH]n1 205688384 MAUYNLKXVXBPSM-LLVKDONJSA-N 248.355 2.593 0 40 BFAB C[C@H](c1ccccc1)N1CCN[C@H]2CCCC[C@H]21 252515302 IGOISJROXVLNGR-VNQPRFMTSA-N 244.382 2.964 0 40 BFAB CC(C)Oc1nc2cccc(F)c2cc1N 685937744 ZEBKQAQCCXYEIZ-UHFFFAOYSA-N 220.247 2.743 0 40 BFAB O=C(O)Cc1ccc(NCc2ccccc2)cc1 258749 SXBXECJEQCYKSP-UHFFFAOYSA-N 241.290 2.926 0 40 BFAB COc1cccc(C)c1[C@@H]1C[C@@H]2CCCN2O1 1569336 SHGNNDWQMPJFTO-AAEUAGOBSA-N 233.311 2.844 0 40 BFAB COC(=O)NCc1cccc2ccccc12 3160585 GGSOWOFTXSBAHB-UHFFFAOYSA-N 215.252 2.696 0 40 BFAB CC(C)(C)C(=O)Nc1cccc2nsnc12 4727703 IWKKSHLABDFTKL-UHFFFAOYSA-N 235.312 2.676 0 40 BFAB Cc1cc(C(=O)Nc2ccc(Cl)cc2)on1 5403874 ZQYYHGJUVCQYLR-UHFFFAOYSA-N 236.658 2.889 0 40 BFAB CCn1c(C)c(C(C)=O)c2cc(O)ccc21 5797578 JPPJKAGMSZQFBX-UHFFFAOYSA-N 217.268 2.878 0 40 BFAB Cc1cccc(C(=O)NCc2ccco2)c1C 6566676 LYHRCOSSXQSDCY-UHFFFAOYSA-N 229.279 2.826 0 40 BFAB Cc1ccc(C(=O)NC2CCC(C)CC2)o1 12892778 DOJMDUWSPPUASR-UHFFFAOYSA-N 221.300 2.897 0 40 BFAB C[C@@H](C1CC1)N(C)C(=O)c1ccccc1 12974520 AMTGZUDJIQHYFF-JTQLQIEISA-N 203.285 2.557 0 40 BFAB Clc1ccc(C2=N[C@H]3C=NN=C3S2)cc1 17957928 INYYIOVCDRRZIJ-QMMMGPOBSA-N 235.699 2.600 0 40 BFAB CCOc1ccc(C(=O)OC(C)(C)C)cc1N 20155556 DDLIUQDOYFUXHD-UHFFFAOYSA-N 237.299 2.623 0 40 BFAB Cc1cnn(-c2ccc(C(F)(F)F)cc2N)c1 20352025 XNXGLZQCCIRVAT-UHFFFAOYSA-N 241.216 2.782 0 40 BFAB Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C)cc1N 22163506 YYGFAZHNTCCNPX-SMDDNHRTSA-N 246.354 2.886 0 40 BFAB C[C@H](C(=O)NC1CCCCCCC1)n1cccn1 28193904 HSHTXHXTCLNQPQ-GFCCVEGCSA-N 249.358 2.673 0 40 BFAB C[C@@H]1CCCC[C@H]1N(C)C(=O)c1cccnc1 32787709 WRSZZFVMWLTOCR-DGCLKSJQSA-N 232.327 2.732 0 40 BFAB CCCNC(=O)C1=Cc2ccc(C)cc2OC=C1 33324424 MJIFTZSTQMGCCO-UHFFFAOYSA-N 243.306 2.811 0 40 BFAB CCNCc1ccc(OC(C)C)c(OCC)c1 34815790 VKXXBEQUEGIFKZ-UHFFFAOYSA-N 237.343 2.982 0 40 BFAB C=CC(=O)Nc1ccc(Br)cc1F 34959321 AQHUTGPQKUXLNR-UHFFFAOYSA-N 244.063 2.713 0 40 BFAB O=C(Nc1ccccc1C(F)(F)F)NC1CC1 36179053 FAZTYBLASTXLSX-UHFFFAOYSA-N 244.216 2.989 0 40 BFAB CCc1ccc(C(=O)NC2CCCC2)o1 36395813 FDYGLNAJGNTNRO-UHFFFAOYSA-N 207.273 2.514 0 40 BFAB C[C@H]1CCC[C@@H](NCC(=O)Nc2ccccc2)C1 37255568 SSUSCBWROCZONY-GXTWGEPZSA-N 246.354 2.793 0 40 BFAB CN(C)[C@@H](C(=O)O)c1c(Cl)cccc1Cl 37358233 CFGNAMWXSJGORO-SECBINFHSA-N 248.109 2.681 0 40 BFAB O=C(O)[C@@H]1C[C@H]1c1ccc(Cl)s1 37381104 FJXYZGVJJOLGLQ-RFZPGFLSSA-N 202.662 2.590 0 40 BFAB O[C@H]1CCCC[C@@H]1N1CCCc2ccccc21 37693775 YYBGJBFHLQOMBN-GJZGRUSLSA-N 231.339 2.743 0 40 BFAB CC(C)C[C@H](C)N(C)C(=O)CC[C@@H]1CCCO1 40508850 NDNVIEWESSBOOK-STQMWFEESA-N 241.375 2.839 0 40 BFAB CCCOc1ccc(O[C@@H]2CCCNC2)cc1 42782852 HIMCWAWJYDZJTD-CQSZACIVSA-N 235.327 2.606 0 40 BFAB O[C@@H](c1ccccc1OC(F)F)C(F)(F)F 43367939 VERBXGNCPVNXNI-ZETCQYMHSA-N 242.143 2.884 0 40 BFAB c1ccc(-c2nccc([C@H]3CCCN3)n2)cc1 43673848 RQUFEMVRJWVYHC-GFCCVEGCSA-N 225.295 2.568 0 40 BFAB Cc1cc(C)n(-c2ccc(C=O)c(C)c2)n1 50575431 NZLPNXGOJDFNAZ-UHFFFAOYSA-N 214.268 2.610 0 40 BFAB NC1CCC(NCc2ccccc2Cl)CC1 51693517 YGRRSYLHHMHJBP-UHFFFAOYSA-N 238.762 2.700 0 40 BFAB O=C(c1ccccc1)[C@H]1N[C@@H]1c1ccccc1 57211577 SUHPZGRFOCEHTL-KGLIPLIRSA-N 223.275 2.582 0 40 BFAB in-vitro CCC(=O)NCCSc1ccc(Cl)cc1 60958335 JZQXWLWZBGDOJT-UHFFFAOYSA-N 243.759 2.958 0 40 BFAB Cc1ccc(-c2noc(C)c2C(=O)O)cc1F 70544110 JSSFWHHNNLCLCF-UHFFFAOYSA-N 235.214 2.796 0 40 BFAB O=Cc1c(-c2ccc(F)cc2)noc1Cl 71976686 LBUHJDJXBDRJAW-UHFFFAOYSA-N 225.606 2.947 0 40 BFAB CCn1c(C(=O)O)cc2c(C)cc(C)cc21 71976860 QVLOKOXUOLBKOF-UHFFFAOYSA-N 217.268 2.976 0 40 BFAB CC(C)[C@@H](N)[C@H](C)CC(=O)Nc1ccccc1 72208185 FOSHKHXRVSVYIX-BXUZGUMPSA-N 234.343 2.635 0 40 BFAB CCCN1CCC[C@@H]1c1cc(C)ccn1 72211187 DBCUMTRHIJCZHG-CYBMUJFWSA-N 204.317 2.937 0 40 BFAB CC1=CCC[C@@H](C)[C@@H]1CNCCCn1ccnc1 97098620 MVTCVCZOEUQRPU-HUUCEWRRSA-N 247.386 2.855 0 40 BFAB O=C(CC(=O)c1cccs1)c1ccncc1 101787080 FFHNDRMNLBJSHI-UHFFFAOYSA-N 231.276 2.599 0 40 BFAB CCCCc1ccc2nccc(NCCN)c2c1 222683052 REWRRDXNOYSISP-UHFFFAOYSA-N 243.354 2.948 0 40 BFAB C[C@@H](OCc1ccccc1Cl)[C@H]1CO1 256055024 YVDQKEWBBOXMPE-LDYMZIIASA-N 212.676 2.644 0 40 BFAB C[C@@H]1CN(c2ccnc3ccccc23)C[C@@H](C)O1 264673025 UTDQYQMZFVUDMG-VXGBXAGGSA-N 242.322 2.848 0 40 BFAB Cc1cccc(-c2cncc([C@H]3CCCN3)n2)c1 616576162 SPUFKLYSOOMDRB-CYBMUJFWSA-N 239.322 2.877 0 40 BFAB CC(C)Cc1c(O)nc2c(F)cccc2c1O 685936863 BBORKUUORQZVPD-UHFFFAOYSA-N 235.258 2.984 0 40 BFAB CCCCO[C@H]1NC(=O)Oc2ccccc21 1592813 LMPVXVPUMLEYJL-LLVKDONJSA-N 221.256 2.604 0 40 BFAB c1ccc2c(c1)ncn2CCc1ccncc1 1768341 ZPEFRMYXVMRQMI-UHFFFAOYSA-N 223.279 2.674 0 40 BFAB CCCC(=O)CCCCCCC(=O)O 2378809 BHMVWQCUELPXCR-UHFFFAOYSA-N 200.278 2.781 0 40 BFAB CC[C@H](C)[C@H](O)[C@H](C(=O)O)C1CCCCC1 4683094 RAYWBDQWWXCHQV-WCQGTBRESA-N 228.332 2.675 0 40 BFAB Clc1ccccc1Nc1ncnc2[nH]cnc12 4683343 QZPHGMKICYKDIC-UHFFFAOYSA-N 245.673 2.750 0 40 BFAB CCCCC(=O)NCCCc1ccccc1 6039677 YTKVYELVMLGADY-UHFFFAOYSA-N 219.328 2.926 0 40 BFAB CC(C)c1csc(C2CCNCC2)n1 11632069 IHABYQLWAAUHEM-UHFFFAOYSA-N 210.346 2.734 0 40 BFAB in-vitro CC1CCN(C(=O)CSC(C)(C)C)CC1 12927264 CDAUBAYDNFSAON-UHFFFAOYSA-N 229.389 2.777 0 40 BFAB CN[C@H](C)c1cccc(OC(F)F)c1 20083826 RYERHYAYBJLIBL-SSDOTTSWSA-N 201.216 2.568 0 40 BFAB CCOC(=O)/C=C/c1c(C)cccc1OC 20154494 QVVVWZGQFQINGA-CMDGGOBGSA-N 220.268 2.580 0 40 BFAB CCN(CCCC(C)=O)C(=O)OC(C)(C)C 22052776 FCDKSCSEAZAHMP-UHFFFAOYSA-N 229.320 2.613 0 40 BFAB in-vitro NCc1ccccc1COCc1ccccc1 22223215 QSIRNNPYPDJFBS-UHFFFAOYSA-N 227.307 2.862 0 40 BFAB in-vitro O=C(C[C@H]1C=CCC1)N1CCc2ccccc21 32738577 QWYAAWLCRYDTQI-LBPRGKRZSA-N 227.307 2.932 0 40 BFAB C[C@H]1Cc2ccccc2N1C(=O)C1CCC1 32975277 TZADZXHPNFTBFK-JTQLQIEISA-N 215.296 2.764 0 40 BFAB Cc1cc(C)nc(NCCc2ccc(F)cc2)n1 33612099 SSJNSUFFYKVBJN-UHFFFAOYSA-N 245.301 2.887 0 40 BFAB O=C(O)c1ccc(F)c(OC(F)(F)F)c1F 37594041 XIGZCSAWUPZMGI-UHFFFAOYSA-N 242.099 2.562 0 40 BFAB CC(C)(C)CC(=O)NCCc1cccs1 40457603 ORPUBUJAPGRYRG-UHFFFAOYSA-N 225.357 2.843 0 40 BFAB O=C(CCCc1ccccc1)[C@@H]1CCCNC1 41257960 XMDLYZRBGSUPTE-CQSZACIVSA-N 231.339 2.578 0 40 BFAB CC[C@H](C)[C@@H](C)NCC1(O)CCCCC1 42555158 LMIRCVYVJBRIFY-NWDGAFQWSA-N 213.365 2.706 0 40 BFAB Cc1c(Cl)cccc1NCc1ncc[nH]1 49714492 AUUVMJSAOOKIQZ-UHFFFAOYSA-N 221.691 2.984 0 40 BFAB COC(=O)Cc1csc(-c2cccs2)n1 49829731 QYRBUGFTWJYCEZ-UHFFFAOYSA-N 239.321 2.587 0 40 BFAB CC(=O)[C@H]1C[C@@H](c2cccc(Cl)c2)OC1=O 57529503 FARKQLIPCMMMSL-MNOVXSKESA-N 238.670 2.533 0 40 BFAB CO[C@H](C)CC(=O)N[C@H](c1ccccc1)C(C)C 58268320 BTSOEYUCMSYGQL-DOMZBBRYSA-N 249.354 2.925 0 40 BFAB CC(C)(CC(=O)O)CC(=O)c1ccccc1 61824695 DHWPIXISWZOLGV-UHFFFAOYSA-N 220.268 2.760 0 40 BFAB in-vitro N[C@@H]1C[C@H]1c1ccc(-c2ccc(F)cc2)o1 70453095 MQJNXLOWTVHZCF-GHMZBOCLSA-N 217.243 2.900 0 40 BFAB CC[C@H](C)Nc1ncccc1[C@H]1CCCN1 72213360 VNYKYDZEJMZBPX-CMPLNLGQSA-N 219.332 2.717 0 40 BFAB CCOc1ncc([C@@H](O)c2ccccc2)cc1C 72222096 OBWAAGSISLEPMD-AWEZNQCLSA-N 243.306 2.870 0 40 BFAB Fc1cccc(OCCNCC2CCC2)c1 72226482 AMLOPPBFODXFAM-UHFFFAOYSA-N 223.291 2.594 0 40 BFAB CN(C(=O)CCCC1CCCC1)c1ccnn1C 74959049 LGTPNHBWBVREPG-UHFFFAOYSA-N 249.358 2.743 0 40 BFAB C[C@H](N)c1ccn(Cc2ccccc2)c1 78405777 HHBACYOERHRLRZ-NSHDSACASA-N 200.285 2.556 0 40 BFAB CCOC(=O)c1ccc(-c2cccs2)nc1N 82311819 LLQATUFGCDQZBV-UHFFFAOYSA-N 248.307 2.569 0 40 BFAB CCc1cccc(N(C#N)Cc2ccon2)c1 89289526 SEQKFCLUYFEBIF-UHFFFAOYSA-N 227.267 2.725 0 40 BFAB CCN(CCCC(=O)OC)Cc1cccc(C)c1 89969193 UPWZSPWQVHXLCM-UHFFFAOYSA-N 249.354 2.770 0 40 BFAB Cc1cccc([C@H](C)NCCCn2cccn2)c1 95419848 OEURGOBDSYOQES-AWEZNQCLSA-N 243.354 2.932 0 40 BFAB CC(C)(C)OC(=O)NCCCc1cccnc1 95635209 JFWINQVTIJDBRD-UHFFFAOYSA-N 236.315 2.539 0 40 BFAB CCC[C@](C)(O)c1cccc(N(C)C)c1 95739329 CZAUNURRTXUTKL-ZDUSSCGKSA-N 207.317 2.760 0 40 BFAB COC(=O)c1cc(OC)c2ccccc2c1 95937662 RDOFXDKHPHWUQW-UHFFFAOYSA-N 216.236 2.635 0 40 BFAB in-vitro Cc1cc(Cn2ccc(-c3ccccc3)n2)no1 98012548 GAUJHEFVQRHCBY-UHFFFAOYSA-N 239.278 2.895 0 40 BFAB CCNC(=O)N1CC[C@H](C)C[C@@H]1c1ccco1 98014291 SNMYLAKOJYWUJB-WDEREUQCSA-N 236.315 2.782 0 40 BFAB COC(=O)c1ccc(C(=O)CC(C)C)cc1 165130419 HSBBXGHBQXBHCG-UHFFFAOYSA-N 220.268 2.702 0 40 BFAB O=C(OCCC[C@@H]1CCCO1)c1cccs1 184405045 WNKRGNCBPMSECG-JTQLQIEISA-N 240.324 2.864 0 40 BFAB CC(=O)OCC(=O)c1csc2ccccc12 220236829 SOZCVMJVEGALPF-UHFFFAOYSA-N 234.276 2.647 0 40 BFAB CCc1cccc2c(NCCCN)ccnc12 222677534 QHPPDRXIZPRNHY-UHFFFAOYSA-N 229.327 2.558 0 40 BFAB Cc1ccc(N(C)[C@@H](C)C(=O)O)cc1Cl 224992870 PPQQQNLLJGORFS-QMMMGPOBSA-N 227.691 2.558 0 40 BFAB Cc1cnc(N2CCSC3(CCC3)CC2)nc1 334650103 DNRIEGOVOMRQIU-UHFFFAOYSA-N 249.383 2.651 0 40 BFAB C[C@]1(O)CC[C@@H]1N[C@@H]1CCCc2ccccc21 1775996235 GSSGGVDOGRTZBM-ILXRZTDVSA-N 231.339 2.567 0 40 BFAB O=C1[C@H](c2ccccc2)CN1Cc1ccccc1 1593515 XXHDJPDSFUWTPZ-HNNXBMFYSA-N 237.302 2.813 0 40 BFAB CCCCCC[C@H]1OC[C@H](COCC)O1 1675395 IOLQBDYJUGWJRL-RYUDHWBXSA-N 216.321 2.735 0 40 BFAB O=C1N[C@@]2(c3ccccc3)CCCC[C@H]2O1 1712353 HAISAGDXNSXABB-DGCLKSJQSA-N 217.268 2.564 0 40 BFAB CCCCCC[C@@H](O)C(=O)OCCC(C)C 2044441 FMOZUKSKENNHCC-GFCCVEGCSA-N 230.348 2.907 0 40 BFAB CCOC(=O)c1ccccc1NC(=O)CC(C)C 5474458 DGDCDBZVMJGIEY-UHFFFAOYSA-N 249.310 2.848 0 40 BFAB Cc1cc(NC(=O)Nc2ccoc2C)no1 8133026 NUVMGQIERUOTFR-UHFFFAOYSA-N 221.216 2.528 0 40 BFAB Cc1ccc(C)c([C@@H](O)C(F)(F)F)c1 8324317 SCYMTVOTDWIOSX-SECBINFHSA-N 204.191 2.899 0 40 BFAB in-vitro Cc1c(C(=O)O)oc2c(F)cc(F)cc12 11920435 VIEBTMPYGMCTMU-UHFFFAOYSA-N 212.151 2.718 0 40 BFAB CCC[C@H](C)NC(=O)c1cccnc1SC 12553436 AOXLZCKLJQBXOV-VIFPVBQESA-N 238.356 2.722 0 40 BFAB C[C@H](NC(=O)NCC1CC1)c1ccc(F)cc1 12986632 INFBLPLZFPJHBE-VIFPVBQESA-N 236.290 2.596 0 40 BFAB Cc1ccc(O[C@@H](C)C(=O)O)cc1Cl 16970063 GIKAVIQRFHJYGK-ZETCQYMHSA-N 214.648 2.500 0 40 BFAB CCOc1cc(CN)ccc1OCC(C)C 19737424 UYZPWZYYJODNQK-UHFFFAOYSA-N 223.316 2.579 0 40 BFAB CCOc1ncnc2sc(C)c(C)c12 19797030 NMXGJKLLQSQIBX-UHFFFAOYSA-N 208.286 2.707 0 40 BFAB Nc1cccc(CC(=O)Nc2ccccc2F)c1 20186082 SBFWCTMISSLAMK-UHFFFAOYSA-N 244.269 2.589 0 40 BFAB Cc1cccc(CNC(=O)[C@H]2CC=CCC2)c1 32760728 MRVGKJFEOYBRST-AWEZNQCLSA-N 229.323 2.968 0 40 BFAB Nc1ccc2ncccc2c1C(F)(F)F 34414655 UMYWQRHQPGENKL-UHFFFAOYSA-N 212.174 2.836 0 40 BFAB COc1c(C(N)=O)cc2ccccc2c1Cl 40545142 RTFUVIIKICRCEH-UHFFFAOYSA-N 235.670 2.601 0 40 BFAB CC(=O)N[C@H](C)c1cccc(Br)c1 44316747 GHEDNSLOXLEUKX-SSDOTTSWSA-N 242.116 2.646 0 40 BFAB COc1cc(NC(C)=O)c(Cl)cc1C(C)=O 44563918 DHNZEYPPLNRAJE-UHFFFAOYSA-N 241.674 2.510 0 40 BFAB CC(C)=CC(=O)N(Cc1ccco1)C1CC1 44698724 OQMQHTZDRKOVKL-UHFFFAOYSA-N 219.284 2.737 0 40 BFAB Cc1ccc(-c2ncc(C(=O)O)c(C)n2)cc1C 49468406 QCHGDNUHTBAMEM-UHFFFAOYSA-N 242.278 2.767 0 40 BFAB Cc1cccc(-c2cc(CNC(C)C)n[nH]2)c1 50479234 VQORWNNZZXAGDS-UHFFFAOYSA-N 229.327 2.883 0 40 BFAB COCc1cc(Cl)nc(C(C)(C)C)n1 51700241 WVNQUPSDOKLAMK-UHFFFAOYSA-N 214.696 2.574 0 40 BFAB CC(C)Oc1ccc2c(c1)[C@H](N)CCC2 54742190 ASSHPXMZCDDEFN-CYBMUJFWSA-N 205.301 2.810 0 40 BFAB in-vitro NC1CCC(Sc2nc3ccccc3[nH]2)CC1 55143752 JTWGPBBNDMWUJZ-UHFFFAOYSA-N 247.367 2.925 0 40 BFAB Cc1cc(C(=O)N(C)[C@H](C)c2ccccc2)no1 57466964 SYAZFNCCIFFTNA-LLVKDONJSA-N 244.294 2.816 0 40 BFAB Cc1cc(=O)cc(C)n1CCc1ccccc1 59488017 CTUXGXPFBAEQPU-UHFFFAOYSA-N 227.307 2.708 0 40 BFAB Cc1noc(-c2ccc3ncsc3c2)n1 61957939 XWYLKHSFTZHUIT-UHFFFAOYSA-N 217.253 2.655 0 40 BFAB Cc1cc(C(=O)O)cnc1Oc1ccccc1 72222113 GDHUJMAMKQPIFJ-UHFFFAOYSA-N 229.235 2.881 0 40 BFAB Cc1nc(N(C)c2ccccc2)ccc1C=O 72224372 WNXFBDPFIFHFQM-UHFFFAOYSA-N 226.279 2.970 0 40 BFAB CC(C)Cc1nnc(-c2ccc(N)cc2)o1 85386043 GDTZVDVSKFPAOF-UHFFFAOYSA-N 217.272 2.517 0 40 BFAB CSc1cccc(C2([C@@H](C)O)CC2)c1 95739184 KMNOSNFZFKVRBA-SECBINFHSA-N 208.326 2.821 0 40 BFAB CCCOc1cc(Cl)sc1C(=O)O 96510904 ZRGMXRCZBJSPBH-UHFFFAOYSA-N 220.677 2.889 0 40 BFAB CCCc1nccn1Cc1ccc(Cl)cn1 97046771 BPJAPLTVBBVSOQ-UHFFFAOYSA-N 235.718 2.932 0 40 BFAB Cc1ccc(CN)c(F)c1C(F)(F)F 98210864 BAKDMJAKWZTTDO-UHFFFAOYSA-N 207.170 2.612 0 40 BFAB C[C@H](NC(=O)c1ccco1)[C@H]1C[C@@H]2CC[C@@H]1C2 101716968 TWAOWPQGQVRSDB-IRCOFANPSA-N 233.311 2.834 0 40 BFAB O[C@@H]1C[C@]2(Cl)C[C@]1(Cl)C(Cl)=C2Cl 104327067 VZOAOSMRYBAPJZ-QXGXAUQUSA-N 247.936 2.799 0 40 BFAB Cc1cc(C(=O)N2[C@H]3C=CC[C@H]2CC3)c(C)o1 208012581 LKHLUXCJIOJFKN-RYUDHWBXSA-N 231.295 2.830 0 40 BFAB COC[C@H](C)NC(=O)c1cc2cccc(C)c2o1 226044450 DFTTYJKYVMTNOY-JTQLQIEISA-N 247.294 2.506 0 40 BFAB C[C@H]1C[C@H](CN)C[C@@H](C)N1Cc1ccccc1 242648579 RBQJXQBTKMCIJI-AGGWBTHJSA-N 232.371 2.634 0 40 BFAB O=C(c1ccc2c(n1)CCCC2)C1CC1 252497258 QCJWKAQARJRTAB-UHFFFAOYSA-N 201.269 2.553 0 40 BFAB Cc1cc(NCc2ccc(F)s2)n(C)n1 256049463 AAWGOTIQPMKQSW-UHFFFAOYSA-N 225.292 2.541 0 40 BFAB Cc1c(NCCC(C)C)cnn1CCF 256050035 CKKGDRTUMLSYBN-UHFFFAOYSA-N 213.300 2.619 0 40 BFAB CCn1ncc(NCc2ccc(OC)cc2)c1C 256052811 OUDYJBVDXSTBOZ-UHFFFAOYSA-N 245.326 2.832 0 40 BFAB CCc1[nH]c2cc(C)ccc2c(=O)c1C 685938389 LBOBRTWVMFIBDA-UHFFFAOYSA-N 201.269 2.707 0 40 BFAB Cc1cccc(N)c1S[C@@H]1CCCC[C@H]1O 553526 LJGIJNFBHPWGCW-VXGBXAGGSA-N 237.368 2.973 0 40 BFAB Cc1cccc(C(=O)Nc2cccc(C)n2)c1 579315 AKCGNQRHTCXVRF-UHFFFAOYSA-N 226.279 2.951 0 40 BFAB in-vivo CCOC(OCC)c1ccc(OC)c(OC)c1 1570905 URYRHAYGCRYMOT-UHFFFAOYSA-N 240.299 2.775 0 40 BFAB CC(C)(O)[C@@H]1CC[C@]2(C)CCC[C@@H](O)[C@@H]2C1 1617654 PYDYAPFBFDTVMM-CZXHOFHRSA-N 226.360 2.725 0 40 BFAB biogenic FCOc1cccc(Br)c1 2510704 SBSXTRYBPMEBNX-UHFFFAOYSA-N 205.026 2.755 0 40 BFAB C[C@@H]1C[P@@](=O)(c2ccccc2)[C@@H](C)CC1=O 5003897 QEYLIZRHTPFMRZ-GDLVEWKHSA-N 236.251 2.672 0 40 BFAB COc1ccccc1C(=O)N1C[C@H](C)C[C@@H](C)C1 5528311 LZFKFZYZMJHVTQ-VXGBXAGGSA-N 247.338 2.813 0 40 BFAB CCCCOc1ccc(CO)cc1OCC 6051232 UGDZWRMUJGIQOP-UHFFFAOYSA-N 224.300 2.757 0 40 BFAB CC1CCC(NC[C@@H](O)c2ccccc2)CC1 7109722 ZIMOZEDUMMLPSF-PESDSKBTSA-N 233.355 2.888 0 40 BFAB O=Cc1cccn1-c1ccc(Cl)c(C(=O)O)c1 9261698 XUTHEUXUANAAHV-UHFFFAOYSA-N 249.653 2.641 0 40 BFAB C[C@@H](c1ccc(Cl)cc1)n1nccc1N 11920595 RFIPVJJGXFMAKY-QMMMGPOBSA-N 221.691 2.728 0 40 BFAB CCc1c(C)[nH]c(-c2csc(N)n2)c1C 13162932 XQIXJAURQFQVAJ-UHFFFAOYSA-N 221.329 2.900 0 40 BFAB CCCCC(=O)Nc1ccc(F)c(N)c1 19269918 PFUYVGLYHIVCEP-UHFFFAOYSA-N 210.252 2.537 0 40 BFAB CN(c1ccccc1)[C@@H](CN)c1ccccc1 19269931 VADHRWLHVSIANO-HNNXBMFYSA-N 226.323 2.823 0 40 BFAB CCNc1ccc(N)c(C(F)(F)F)c1 20381714 SGZFOKFZGQSKFJ-UHFFFAOYSA-N 204.195 2.719 0 40 BFAB in-vitro Cn1ncc2c(C(F)F)cc(C3CC3)nc21 20603187 ATSRAOPVUKVAQF-UHFFFAOYSA-N 223.226 2.783 0 40 BFAB C[C@H]1c2cccn2CCN1C(=O)c1cccs1 29379130 HSINSZYROUQZPO-JTQLQIEISA-N 246.335 2.767 0 40 BFAB CC(=O)[C@H]1CCCCN1Cc1ccccc1 34753550 CMZAOOFDDYEJAE-CQSZACIVSA-N 217.312 2.630 0 40 BFAB Cc1ccc(-n2cccc2C(=O)O)cc1C 35431449 CDCGTTNFXITZFR-UHFFFAOYSA-N 215.252 2.792 0 40 BFAB O=C(O)c1cccn1-c1ccc(F)c(Cl)c1 35431556 IVJAUMRTWPIXRI-UHFFFAOYSA-N 239.633 2.968 0 40 BFAB Cc1ccc(N[C@@H]2CCCC[C@@H]2O)cc1 37691297 JTCBCGKEWZZVIP-OLZOCXBDSA-N 205.301 2.710 0 40 BFAB Brc1ccc2c(c1)C=CCO2 38417055 YTNWANXDKHOVBF-UHFFFAOYSA-N 211.058 2.855 0 40 BFAB COc1ccc([C@@H](O)c2cccs2)cc1F 40263092 QDOPVFAKPVIVAQ-GFCCVEGCSA-N 238.283 2.978 0 40 BFAB CCc1nccn1CC(=O)c1ccc(C)s1 42420024 BVODCVNIRNKMCD-UHFFFAOYSA-N 234.324 2.698 0 40 BFAB CNC[C@@H](C)Oc1ccc(Cl)c(Cl)c1 52702359 HZZCMGXRZAPIFB-SSDOTTSWSA-N 234.126 2.980 0 40 BFAB in-vitro COc1ccc(Cl)cc1C(C)(C)O 55191781 IKVRAWRQRMWNGU-UHFFFAOYSA-N 200.665 2.576 0 40 BFAB in-vitro COc1cccc2c(=O)c(C(C)C)c(C)[nH]c12 61688062 YCQIDHNGJJWGPC-UHFFFAOYSA-N 231.295 2.969 0 40 BFAB CC[C@@H]1CN(c2nc3ccccc3s2)CCO1 75667505 HJINJFKHVPDRMH-SNVBAGLBSA-N 248.351 2.912 0 40 BFAB Cc1cccc([C@@H](C)Sc2ncn[nH]2)c1 78929137 VZAKRFCMANLXAB-SECBINFHSA-N 219.313 2.966 0 40 BFAB O=C(O)C1(c2ccccc2F)CC2(CC2)C1 83174293 FCNLVDSYABICIW-UHFFFAOYSA-N 220.243 2.722 0 40 BFAB CC(C)(C(=O)O)c1ccc2ncccc2c1 84193034 ZPAJTGQVZLTFSG-UHFFFAOYSA-N 215.252 2.597 0 40 BFAB Cc1ccc(F)c(CN2CCOCC2)c1Cl 90413741 DRMDYKSGZQFPAV-UHFFFAOYSA-N 243.709 2.620 0 40 BFAB CC(C)(C)NC[C@H](O)c1cscc1Cl 96190516 XGPSVAVUYRNIMQ-VIFPVBQESA-N 233.764 2.823 0 40 BFAB COC(=O)c1scc(Cl)c1OC(F)F 96510947 YLELBSIWXKRFQD-UHFFFAOYSA-N 242.630 2.790 0 40 BFAB Cc1cc(CO)c(F)c(C(F)(F)F)c1 98210794 WCTOPRCFFCKRJY-UHFFFAOYSA-N 208.154 2.645 0 40 BFAB CCOC(=O)c1ccn(-c2ccccc2)c1 146194034 RGCDLODOMPIIGU-UHFFFAOYSA-N 215.252 2.654 0 40 BFAB COc1ccc(C(=O)O)cc1SC(F)F 218300426 CPBUWBSLPISWNH-UHFFFAOYSA-N 234.223 2.708 0 40 BFAB CC1(C)C(=O)C[C@@H]1COCc1ccccc1 613822183 RHQCDCBWHHVVRC-GFCCVEGCSA-N 218.296 2.818 0 40 BFAB CSc1nc(C)cc(N2CCC[C@H](C)C2)n1 1889077135 ODCXXOSMCNICNT-VIFPVBQESA-N 237.372 2.743 0 40 BFAB Cc1ccc(Sc2ncccc2C(N)=O)cc1 132004 FGJYERMHEXAORL-UHFFFAOYSA-N 244.319 2.640 0 40 BFAB O=C(O)/C=C/c1ccc(Oc2ccccc2)nc1 165515 TWPKEZACBDVQNY-VQHVLOKHSA-N 241.246 2.972 0 40 BFAB in-vitro Cc1ccc(NC(=O)Nc2snnc2C)cc1 497398 XOLALULSGJMWKW-UHFFFAOYSA-N 248.311 2.799 0 40 BFAB c1cnc2c(c1)Oc1nc3ccccc3nc1N2 1036821 UFDWSQINDAVXTL-UHFFFAOYSA-N 236.234 2.874 0 40 BFAB NC(=O)CC1(c2ccccc2)CCCCC1 1567709 NTSCQQBCFGZZIL-UHFFFAOYSA-N 217.312 2.764 0 40 BFAB CCC(CC)COC(=O)[C@H]1CCCC[C@H]1O 1697039 OPXHPQYLEJCRNK-NWDGAFQWSA-N 228.332 2.517 0 40 BFAB CC[C@H]1SC=C(c2ccccc2)NC1=O 2035537 UVICDEPJMYHVNT-LLVKDONJSA-N 219.309 2.627 0 40 BFAB CCOCC(=O)Nc1cc(Cl)ccc1Cl 2069462 NABGUQUTZDNZFS-UHFFFAOYSA-N 248.109 2.968 0 40 BFAB CCOP(=O)(OCC)[C@@H](N)CC(C)C 2353855 TVBLDWTXOYRRKF-SECBINFHSA-N 223.253 2.583 0 40 BFAB Oc1ccc(Cc2c(F)cccc2Cl)nn1 4002686 KUHBNKDLHZTBJD-UHFFFAOYSA-N 238.649 2.566 0 40 BFAB N[C@@H](c1cccnc1)c1ccccc1Cl 8699693 WBLBPHHLMGWQCM-LBPRGKRZSA-N 218.687 2.783 0 40 BFAB in-vitro CNCC[C@H](c1ccc(OC)c(OC)c1)C1CC1 11630150 UPZXGFIQCFCHCO-ZDUSSCGKSA-N 249.354 2.807 0 40 BFAB O=C(/C=C\c1ccccc1)N1CCCCC1 12433055 KNOXUMZPTHELAO-KTKRTIGZSA-N 215.296 2.712 0 40 BFAB biogenic,in-vitro CC[C@@H](C)NC(=O)Nc1cccc(OC)c1 12851142 MOKKSFXBYYSPAJ-SECBINFHSA-N 222.288 2.615 0 40 BFAB O=C1OCC[C@@H]1SCc1ccc(Cl)cc1 12925559 QCHGMJAJGSQHRO-JTQLQIEISA-N 242.727 2.889 0 40 BFAB COc1ccc(-c2ccccc2)cc1CCN 13864205 MMNYANAUZJAHNU-UHFFFAOYSA-N 227.307 2.863 0 40 BFAB Nc1cccnc1N1CCCc2ccccc21 19260661 JTONFOPTVPIWOA-UHFFFAOYSA-N 225.295 2.748 0 40 BFAB O=C(O)c1ccc2oc(-c3ccco3)nc2c1 20222855 KOILJJILVYBUHD-UHFFFAOYSA-N 229.191 2.786 0 40 BFAB C/C(=C\C(=O)O)c1ccccc1OC(F)F 20259924 NMUQGDKBFFHJPK-VOTSOKGWSA-N 228.194 2.776 0 40 BFAB in-vitro CCCn1nccc1C(=O)Nc1ccccc1F 28222376 IMLUOXWIDQPTIS-UHFFFAOYSA-N 247.273 2.685 0 40 BFAB c1cc([C@H]2CCCNC2)c2cc[nH]c2c1 33884899 JWMGZQMVMZBMFM-JTQLQIEISA-N 200.285 2.635 0 40 BFAB Clc1ncccc1NCc1cccnc1 36982655 PBYTVOZOSVPKOT-UHFFFAOYSA-N 219.675 2.742 0 40 BFAB O=C(O)c1cccc2c1CCCN2CC1CC1 37595781 SAQDIFKBFAZESK-UHFFFAOYSA-N 231.295 2.547 0 40 BFAB CC(C)C[C@@H](N)CN(CC(C)C)CC(C)C 42034638 SQDDFBTYQGOZHR-CQSZACIVSA-N 228.424 2.974 0 40 BFAB CC[C@@H](C)C(=O)NC[C@H](OC)c1ccccc1 42751155 PTKOUHHFMXRAAI-YPMHNXCESA-N 235.327 2.536 0 40 BFAB CCCc1ccc(O[C@H]2CCCNC2)c(OC)c1 42782935 WUTLWXKBKJBDTR-ZDUSSCGKSA-N 249.354 2.779 0 40 BFAB Cc1cccc(C)c1C(=O)[C@H]1CC[C@@H](C(=O)O)C1 43878988 GSBKTQBHLQMSDH-NWDGAFQWSA-N 246.306 2.987 0 40 BFAB Fc1ccc(C2OCCO2)c(Br)c1 44230569 RZLIJHGMYMELEK-UHFFFAOYSA-N 247.063 2.634 0 40 BFAB COc1cccc(-c2nsc(Cl)n2)c1 47218927 UHVIBQUUKBUFQN-UHFFFAOYSA-N 226.688 2.867 0 40 BFAB CCCCNC(=O)Cc1ccccc1Cl 47464471 LKTSMEAIKBDNKT-UHFFFAOYSA-N 225.719 2.799 0 40 BFAB CC(C)C(=O)Nc1c(N)cccc1Cl 50352321 XYQLFKVUQPDCRY-UHFFFAOYSA-N 212.680 2.517 0 40 BFAB CC(C)[C@H](C)NC(=O)CCc1ccccc1 57159806 IBJLEUYPFCFCPB-LBPRGKRZSA-N 219.328 2.780 0 40 BFAB CCNC(=O)/C=C(/c1ccccc1)C(F)(F)F 57910660 OXNZXAKQUDKXMV-NTMALXAHSA-N 243.228 2.768 0 40 BFAB CC(C)(C)c1ccc2c(c1)NC(=O)CC2 57937902 WAKKIQWNGHJSJD-UHFFFAOYSA-N 203.285 2.869 0 40 BFAB CCn1c(C(=O)O)cc2ccc(C)cc21 67799765 NSYUOHLUSTYCQF-UHFFFAOYSA-N 203.241 2.668 0 40 BFAB COc1ccc(C(=O)CCSC)c(OC)c1 69984111 PTZQIIWKYNBGLS-UHFFFAOYSA-N 240.324 2.640 0 40 BFAB Cc1cncc([C@@H]2CCCN2C(C)C)c1 72211342 LVNNMYCEPFUUIC-ZDUSSCGKSA-N 204.317 2.935 0 40 BFAB CC[C@H](O)c1ccc(NC(C)C)nc1C 72224047 GFJJGRLKYXCQHY-NSHDSACASA-N 208.305 2.654 0 40 BFAB CCCC(=O)N1CCC(c2cccc(C)n2)CC1 72350747 JFTFQIROVVVZAB-UHFFFAOYSA-N 246.354 2.896 0 40 BFAB COC[C@@H](NCc1ccc(C)o1)c1ccc(C)o1 78975473 PLXVAVXHVDNDLR-CYBMUJFWSA-N 249.310 2.967 0 40 BFAB CNCc1cccn1Cc1ccc(C)cc1 85583158 IBECHSLTGHLOCB-UHFFFAOYSA-N 214.312 2.564 0 40 BFAB Cc1n[nH]c2cc(C(F)(F)F)ccc12 89196011 VUTDFBLOQWYMEP-UHFFFAOYSA-N 200.163 2.890 0 40 BFAB Cc1[nH]ccc1C(=O)N1CC[C@H]2CCCC[C@H]21 89536750 BZXOJSJAJABOGG-DGCLKSJQSA-N 232.327 2.728 0 40 BFAB CCN1CC[C@H](NCCc2ccccc2)[C@H](C)C1 95967109 BNVNLKYMMXQHAV-ZBFHGGJFSA-N 246.398 2.549 0 40 BFAB CCCCN(Cc1ccco1)C[C@@H](N)C(C)C 96523742 CZFLRAQEXLDCNQ-CQSZACIVSA-N 238.375 2.865 0 40 BFAB O=C1CSc2c(Br)cccc21 98094996 UHBOWTAECPTWGL-UHFFFAOYSA-N 229.098 2.738 0 40 BFAB c1ccc(CC2C[C@@H]3CC[C@H](C2)N3)cc1 98204316 XEAIOOIYKSSSPU-AGUYFDCRSA-N 201.313 2.760 0 40 BFAB in-vitro CN(C)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 100153362 PXWWJPYCWJIXCB-JYBOHDQNSA-N 213.752 2.878 0 40 BFAB Cc1ccnc(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)c1 102077975 QJUPMGBJQLVNIJ-IJLUTSLNSA-N 230.311 2.765 0 40 BFAB CCN1CCC(COc2ccccc2)CC1 104947991 LXCAGKVUCGLSFH-UHFFFAOYSA-N 219.328 2.797 0 40 BFAB Cc1nn(C)c(C)c1N[C@@H]1C[C@H]2CC[C@H]1C2 106897244 NYUOUYDZYAPFJT-SDDRHHMPSA-N 219.332 2.637 0 40 BFAB O=C(NC[C@H]1C[C@H]2C=C[C@H]1C2)c1ccccc1 107798739 HTWMWYATROLWGN-FPMFFAJLSA-N 227.307 2.629 0 40 BFAB CC(C)c1cccc(C(C)C)c1[C@H](N)CN 117198832 VFSODTOUXYOMAM-CYBMUJFWSA-N 220.360 2.892 0 40 BFAB CCC(=O)c1cc(Cl)c(F)cc1O 134412801 PKNHETGZFWLVEL-UHFFFAOYSA-N 202.612 2.777 0 40 BFAB O=C(O)c1sc2cnccc2c1Cl 141466118 RIZPPLHGIQFTAP-UHFFFAOYSA-N 213.645 2.648 0 40 BFAB Fc1cc2ncoc2cc1Br 238546909 UKNALUVCEHJGIL-UHFFFAOYSA-N 216.009 2.729 0 40 BFAB CC[C@@H](C)n1ccc(NCc2ccn(CC)n2)n1 256050831 GQSCREGERUFGRN-LLVKDONJSA-N 247.346 2.683 0 40 BFAB Cc1sc(Cn2cccn2)nc1C1CC1 281061914 RSMZZXBSDDVRJG-UHFFFAOYSA-N 219.313 2.574 0 40 BFAB CC(=O)OC(C)(C)C(=O)c1sccc1C 382676918 VTYXBELQHFREPB-UHFFFAOYSA-N 226.297 2.581 0 40 BFAB CC(C)OCc1ccn(C2CCCC2)n1 408715591 WGIMPTQINWPHOV-UHFFFAOYSA-N 208.305 2.923 0 40 BFAB Cc1ccccc1-n1nnn(C(F)F)c1=S 117561 DJFDUWPEEVUSID-UHFFFAOYSA-N 242.254 2.502 0 40 BFAB CCC1=C(C)[C@@H](c2ccccc2)NC(=S)N1 128236 SELDAKJWYJEBBF-LBPRGKRZSA-N 232.352 2.889 0 40 BFAB C[C@]12CNC[C@@](C)(CN(Cc3ccccc3)C1)C2 342438 RPDROMBVACPETO-HOTGVXAUSA-N 244.382 2.508 0 40 BFAB Fc1ccccc1CNCc1cccnc1 378536 XRYHMXRWVISSQX-UHFFFAOYSA-N 216.259 2.511 0 40 BFAB CCn1c(COc2ccccc2)nnc1SC 419268 KSSXHBWWADJKLV-UHFFFAOYSA-N 249.339 2.599 0 40 BFAB c1ccc(-c2ncc(-c3ccn[nH]3)s2)nc1 4002651 PVPCIYLMLUJAAJ-UHFFFAOYSA-N 228.280 2.595 0 40 BFAB CCOC(=O)C(Cl)(Cl)c1ccccc1 5650513 XNQDHXMQDHWHRU-UHFFFAOYSA-N 233.094 2.880 0 40 BFAB CC1=C2[C@@H]3OC(=O)[C@H](C)[C@H]3CC[C@@]2(C)C(=O)CC1 14452004 RSDQBPGKMDFRHH-VWFAINMRSA-N 248.322 2.644 0 40 BFAB biogenic O=Cc1cc(Br)nc2ccccc12 14982312 LLFVQQKMECYPGQ-UHFFFAOYSA-N 236.068 2.810 0 40 BFAB COc1ccc([C@@H](N)C2CCCC2)cc1 15014367 MXCXFNDZRCOLQJ-ZDUSSCGKSA-N 205.301 2.885 0 40 BFAB CC1=CC(C)=Nc2cc(C(=O)O)ccc2N1 16607145 BYDGFUZTMYGWMR-UHFFFAOYSA-N 216.240 2.807 0 40 BFAB Cc1cc(C(=O)N2CCCC2)c2ccccc2n1 17356320 XTDYUIOIHWSDIY-UHFFFAOYSA-N 240.306 2.779 0 40 BFAB OC1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 18283014 AUAIIBAFJHEYOJ-XEAPYIEGSA-N 236.155 2.888 0 40 BFAB C[C@@H](Oc1ccc(C(=O)O)cn1)c1ccccc1 19277616 GFKYDDFOEVZSRF-SNVBAGLBSA-N 243.262 2.920 0 40 BFAB in-vitro COc1ccc([C@@H](C)NC2CC2)cc1F 19516389 KLFYHZWAERRYGO-MRVPVSSYSA-N 209.264 2.647 0 40 BFAB c1ccc2c(c1)CCCN2CC[C@@H]1CCCCN1 20180438 YXGRHPSVAOYWRA-HNNXBMFYSA-N 244.382 2.971 0 40 BFAB Cc1cc(C(=O)Nc2cccc(F)c2)ccc1N 20220810 AOJZWNOMRGSDMC-UHFFFAOYSA-N 244.269 2.969 0 40 BFAB Cc1cccc(NC(=O)N2CCS[C@@H]2C)c1 28232227 ZOOCQGJFWPGEHX-SNVBAGLBSA-N 236.340 2.922 0 40 BFAB O=C(C[C@H]1C=CCC1)N1CCc2sccc2C1 32883747 WQCSVIXNJMJPMA-NSHDSACASA-N 247.363 2.989 0 40 BFAB C[C@@H](C1CC1)N(C)C(=O)c1ccc(F)cc1 32907019 CBJYLXAJUJQJDB-VIFPVBQESA-N 221.275 2.696 0 40 BFAB O=C([C@H]1CC=CCC1)N1CCc2ccccc21 32999923 MUMRQXCLHUXEPC-ZDUSSCGKSA-N 227.307 2.932 0 40 BFAB O=C(CCc1ccco1)NCCc1ccccc1 36140207 WZSVCAJSDLUKCR-UHFFFAOYSA-N 243.306 2.571 0 40 BFAB c1ccc(-c2c[nH]c([C@@H]3CCCCN3)n2)cc1 36876671 AYVDXRKUCLVKBE-LBPRGKRZSA-N 227.311 2.891 0 40 BFAB c1ccc(OCCNC2CCCC2)cc1 37854524 KUHFCIXXJKJZDQ-UHFFFAOYSA-N 205.301 2.598 0 40 BFAB O=C1c2ccc(Cl)cc2O[C@H]1Br 38339978 JOZZDHJNQYYDRG-MRVPVSSYSA-N 247.475 2.636 0 40 BFAB Cc1ccc(O)c(C)c1Br 39255049 ARFXFBQNZCNFHV-UHFFFAOYSA-N 201.063 2.772 0 40 BFAB in-vitro CC(C)(C)C(=O)NCc1cc(F)cc(F)c1 40504514 IERHKMLTHIYAMF-UHFFFAOYSA-N 227.254 2.627 0 40 BFAB COc1ccc(OC)c(-c2ccc(=S)[nH]n2)c1 41300672 SRDZPHUZLBEPPV-UHFFFAOYSA-N 248.307 2.823 0 40 BFAB CC(C)CSCC[C@H]1CCCCN1 43499526 XXFUKIIBWNDDLE-LLVKDONJSA-N 201.379 2.908 0 40 BFAB CC(C)NC(=O)c1cc(C2CC2)nn1C(C)(C)C 47703126 DIEPRZRMEFADHJ-UHFFFAOYSA-N 249.358 2.654 0 40 BFAB O=C(Nc1cn[nH]c1)N1CCC[C@@H]1C1CCCC1 48961182 XFWUVYPDNWANME-GFCCVEGCSA-N 248.330 2.596 0 40 BFAB CC(C)OCc1cccc(NC(=O)NC2CC2)c1 49133754 TYGVGSHDRAQAJI-UHFFFAOYSA-N 248.326 2.896 0 40 BFAB CCN1CCC[C@@H]1c1ccc(OC)cc1OC 57621220 KYEJFWGGZLUSEC-CYBMUJFWSA-N 235.327 2.861 0 40 BFAB CC[C@@H](C(=O)O)N(CC)c1cccc(C)c1 58130238 GDSWRYPJNOGZJH-LBPRGKRZSA-N 221.300 2.685 0 40 BFAB COc1cccc2c(C)[nH]c(=S)nc12 59431798 GEMRQPOOUVYYOC-UHFFFAOYSA-N 206.270 2.609 0 40 BFAB O=C1CSC(=O)N1Cc1cccc(Cl)c1 59627984 TWGJAOKOHILERB-UHFFFAOYSA-N 241.699 2.535 0 40 BFAB CCOC(=O)c1nnc(C2CCCCC2)s1 72206863 JSFFEPMTNICTHW-UHFFFAOYSA-N 240.328 2.763 0 40 BFAB c1cc2cc([C@@H]3CCCCN3)ccc2[nH]1 72221744 HAPNRTBFEOJKDK-LBPRGKRZSA-N 200.285 2.983 0 40 BFAB CN1CCCc2cccc(Br)c21 82360146 VBGUTTOYYOYVIV-UHFFFAOYSA-N 226.117 2.832 0 40 BFAB COC(=O)C[C@@H](C)CC(=O)c1cccc(F)c1 95728771 UBVMPZTZIOBRRH-VIFPVBQESA-N 238.258 2.598 0 40 BFAB CCC1(CNC(=O)Nc2ccncc2F)CC1 95940261 BEDIRGDZANSEMM-UHFFFAOYSA-N 237.278 2.532 0 40 BFAB C[C@@H](NCCCO)c1c(F)cccc1Cl 96492343 LLKRCAIUIRBRJY-MRVPVSSYSA-N 231.698 2.512 0 40 BFAB O=C(NC1CCCCC1)N[C@H]1C[C@@H]2CC[C@@H]1C2 101036206 PABXXVLWHCCHBX-WZRBSPASSA-N 236.359 2.807 0 40 BFAB FC(F)(F)c1cc2[nH]ncc2c(Cl)n1 146292381 JCYLHBTYZNJFDZ-UHFFFAOYSA-N 221.569 2.630 0 40 BFAB CCCC(CCC)[S@@](=O)C[C@H]1CCCO1 194541266 PQAMABRRCXTOEJ-ABAIWWIYSA-N 232.389 2.883 0 40 BFAB Cc1cc(NCc2cccnc2)c(C)cc1N 223780608 KHRDFCYMWDXOIX-UHFFFAOYSA-N 227.311 2.893 0 40 BFAB COC(=O)c1ccc(CCc2ccccc2)[nH]1 226029137 DXEUMEMRJVMQRR-UHFFFAOYSA-N 229.279 2.587 0 40 BFAB CC(C)CC[C@H](C)N[C@H]1CCCC[C@H]1O 238850940 DKWSQAFXFIHXSZ-RWMBFGLXSA-N 213.365 2.704 0 40 BFAB O=C(NC1CCCCC1)N[C@@H]1C[C@H]2CC[C@H]1C2 252892886 PABXXVLWHCCHBX-GMXVVIOVSA-N 236.359 2.807 0 40 BFAB Cc1nc([C@@H]2CCCCN2)c2sccn12 257308463 TWUPKKGQBFKBBN-VIFPVBQESA-N 221.329 2.519 0 40 BFAB CCCC[C@@H](NC)C(=O)c1ccccc1 299817089 BHIZKPHLTVLXIV-GFCCVEGCSA-N 205.301 2.648 0 40 BFAB in-vitro O=C(CC1CC1)N1CCC(C(F)(F)F)CC1 335906419 QSLGGJFPFUWYBS-UHFFFAOYSA-N 235.249 2.587 0 40 BFAB CC(C)[C@H](CC(F)(F)F)NC1CSC1 389285995 VPNMWOIWKRRBHC-QMMMGPOBSA-N 227.295 2.668 0 40 BFAB Cc1cc(-n2nc(C)c(C)c2C)ccn1 653471450 KCSCTBGGGSEOMI-UHFFFAOYSA-N 201.273 2.501 0 40 BFAB COc1ccc(NC(=O)Nc2cccs2)cn1 157953 QQTNSKDCQAMODS-UHFFFAOYSA-N 249.295 2.796 0 40 BFAB CN(c1cc(C(F)(F)F)ccn1)n1cccc1 165435 CSAQLSAFKLQSPB-UHFFFAOYSA-N 241.216 2.801 0 40 BFAB C[C@H]1CO[C@H](c2cc3c(cc2Cl)OCO3)O1 1656201 UTIZIJGZPHPMHN-KGFZYKRKSA-N 242.658 2.503 0 40 BFAB c1ccc(C2(NC3=NCCO3)CCCCC2)cc1 1669291 QEGMJGITHBTTMZ-UHFFFAOYSA-N 244.338 2.822 0 40 BFAB Cc1cc(C)c2c(c1)sc1nncn12 2024903 OSXXJJFPJYFCPT-UHFFFAOYSA-N 203.270 2.561 0 40 BFAB O[C@H]1O[C@H](c2ccccc2)Cc2ccccc21 3847972 YHVDJDASXIMISF-GJZGRUSLSA-N 226.275 2.992 0 40 BFAB biogenic CC[C@@]1(C)C[C@@]2(C=C[C@@H](O)CC2)CCO1 4026246 MEELPUOSODYWIN-FRRDWIJNSA-N 210.317 2.663 0 40 BFAB CC(C)(C)OC(=O)CC(=O)c1ccccc1 5353401 PRTKMICNYGEWGB-UHFFFAOYSA-N 220.268 2.601 0 40 BFAB in-vitro CC1CCC(NC(=O)Cc2cccs2)CC1 6263603 KJGNCRIUFKIAOR-UHFFFAOYSA-N 237.368 2.986 0 40 BFAB O=C(NCCC1=CCCCC1)c1cccnc1 6333724 XYEQHQRJALAOJY-UHFFFAOYSA-N 230.311 2.702 0 40 BFAB CCCCNc1nc(C)c(C(C)=O)s1 12394862 XOZGWABWOPPYBF-UHFFFAOYSA-N 212.318 2.866 0 40 BFAB Cc1ccnc(NC(=O)C[C@H]2C=CCC2)c1 12552818 KOLIISCXEHHEBV-NSHDSACASA-N 216.284 2.685 0 40 BFAB CCOC(=O)c1ccccc1OC(F)(F)F 15446164 YUQQVXLPASLXLU-UHFFFAOYSA-N 234.173 2.762 0 40 BFAB O=C(Nc1cc(Cl)ccc1O)c1cccnc1 19881437 CYQDNSVCAKXZHY-UHFFFAOYSA-N 248.669 2.693 0 40 BFAB CCC(C)(C)C(=O)Nc1ccc(N)cc1F 20157266 QFELGEDNYHLEQG-UHFFFAOYSA-N 224.279 2.783 0 40 BFAB CCCNC(=O)[C@H](C)Oc1cc(C)cc(C)c1C 20483853 ITIZDCOHUWCRFL-ZDUSSCGKSA-N 249.354 2.905 0 40 BFAB C[C@H](NC(=O)NC1CC1)c1ccc(Cl)s1 20536294 DBPSVWNKITWIST-LURJTMIESA-N 244.747 2.924 0 40 BFAB NCc1cccc(NC(=O)C2CCCCC2)c1 22146782 OUEYQGRNUFTRME-UHFFFAOYSA-N 232.327 2.664 0 40 BFAB in-vitro Nc1c(F)cccc1OCc1ccccc1 34498176 KWHIMHCTOQZTDC-UHFFFAOYSA-N 217.243 2.987 0 40 BFAB in-vitro CCOC(=N)c1ccc(OC(F)(F)F)cc1 37928151 BBJIXBNXXATONL-UHFFFAOYSA-N 233.189 2.947 0 40 BFAB c1ccc2oc(NC[C@H]3CCCOC3)nc2c1 38046229 OJEJRYUCEFSALZ-SNVBAGLBSA-N 232.283 2.666 0 40 BFAB Cc1nc2c(cc1Br)CCCN2 40165661 QKPHUFUAOAAXHN-UHFFFAOYSA-N 227.105 2.511 0 40 BFAB COC(=O)c1c(N)sc2c1[C@@H](C)CCC2 41046538 MVOUVXSTAVRDDX-LURJTMIESA-N 225.313 2.557 0 40 BFAB Cc1cc(C(=O)N[C@H](C)c2cccc(F)c2)no1 42672367 LJIPJGRPHIWGAZ-SECBINFHSA-N 248.257 2.613 0 40 BFAB FC(F)(F)Oc1ccccc1C1OCCO1 44228017 WPEISOFMQSBDQV-UHFFFAOYSA-N 234.173 2.631 0 40 BFAB COc1cccc(C(=O)c2ccc(C)nc2)c1 45029052 LNYGTQKUVZJCDE-UHFFFAOYSA-N 227.263 2.630 0 40 BFAB Cc1cc(N)cc(C)c1NC(=O)c1cccnc1 45889952 VKBNDWIJBLTHJH-UHFFFAOYSA-N 241.294 2.533 0 40 BFAB COc1cc(C)c([C@@H](O)CC2CC2)cc1OC 49731962 ODPXKVSVBALMPS-LBPRGKRZSA-N 236.311 2.846 0 40 BFAB CCC(=O)N(C)Cc1ccc(Cl)cc1 49930426 NWVLTLXBSMBDMZ-UHFFFAOYSA-N 211.692 2.708 0 40 BFAB CCC(=O)N1CCC[C@H]1Cc1ccccc1OC 58404553 DDJLQKBPLQJRTC-ZDUSSCGKSA-N 247.338 2.639 0 40 BFAB Cc1ccc(NCc2cc(C)no2)cc1 64556202 NZCRETVYDXQWAS-UHFFFAOYSA-N 202.257 2.904 0 40 BFAB CC(C)N1CCO[C@@H](c2ccc(F)cc2)C1 65517350 GEJPUWMVADTQHG-CYBMUJFWSA-N 223.291 2.607 0 40 BFAB NC/C=C/c1ccccc1C(F)(F)F 69049905 HIXFHWUPPNEZNY-HWKANZROSA-N 201.191 2.677 0 40 BFAB CCCN1CCC[C@@H]1c1ccc(N(C)C)nc1 72212597 JUYKMNDWCVRLCM-CYBMUJFWSA-N 233.359 2.695 0 40 BFAB C[C@@H](N)c1ccc(Oc2ccccc2)nc1 72225184 MAYSCOIXXXQZQL-SNVBAGLBSA-N 214.268 2.894 0 40 BFAB CC[C@@H](C)n1ccc(Br)n1 72339556 PLQLISBTWFOGIU-ZCFIWIBFSA-N 203.083 2.617 0 40 BFAB c1ccc(Nc2cccc([C@H]3CCCN3)n2)nc1 72376495 HJFWOCDWPYDRTE-LLVKDONJSA-N 240.310 2.645 0 40 BFAB COC(=O)CCC(=O)c1ccc(Cl)c(C)c1 74417145 LQHXVODZFUGGFS-UHFFFAOYSA-N 240.686 2.784 0 40 BFAB C[C@H](c1cccnc1)N(C)Cc1ccccn1 93234640 KWMBEFLOIISRBC-GFCCVEGCSA-N 227.311 2.670 0 40 BFAB NNc1nc2cccc(C(F)(F)F)c2s1 95950085 LJEDDFPNWUNRDL-UHFFFAOYSA-N 233.218 2.601 0 40 BFAB C[C@H](NC(=O)c1ccc(O)cc1F)C(C)(C)C 95993661 CDLIMZMAPIOZTM-QMMMGPOBSA-N 239.290 2.696 0 40 BFAB COc1ccc(Cl)cc1N[C@@H]1CCC[C@@H]1N 218880470 FRXLKWXWXMYKMW-VHSXEESVSA-N 240.734 2.640 0 40 BFAB Cc1cc(NCc2ccccn2)cc(C)c1N 223773898 LQQBPHITHWJCMT-UHFFFAOYSA-N 227.311 2.893 0 40 BFAB CC(=O)Nc1ccc(N2CCCC[C@H]2C)c(N)c1 226262769 RMDQTNHVICQWRE-SNVBAGLBSA-N 247.342 2.606 0 40 BFAB O=C(O)c1ccnc(Cc2ccc(F)cc2)c1 257198278 YAIQTRUUAPKKNU-UHFFFAOYSA-N 231.226 2.510 0 40 BFAB Cc1ccc2nc(C3CC3)cc(CO)c2c1 685937585 SKGFFQQYXDOVCK-UHFFFAOYSA-N 213.280 2.913 0 40 BFAB COc1ccc(C(=S)N2CCCCC2)cc1 256647 CYUHVSHBDSLRNA-UHFFFAOYSA-N 235.352 2.857 0 40 BFAB Cc1ccc2cc(C(=O)O)c(Cl)nc2c1 269786 KIVCVRKPLHOFGB-UHFFFAOYSA-N 221.643 2.895 0 40 BFAB Fc1ccc(Oc2ncccn2)c(F)c1 480202 UGKJNRBNRXLJEP-UHFFFAOYSA-N 208.167 2.547 0 40 BFAB CCCc1cc2ccc(=O)oc2cc1OC 1017926 CXQXGTUMJYCTAL-UHFFFAOYSA-N 218.252 2.754 0 40 BFAB CSc1snnc1-c1ccccc1 1385733 NQXUDOSPNARBTA-UHFFFAOYSA-N 208.311 2.927 0 40 BFAB C/C=C/Cc1ccc(OCCOC(=O)NC)cc1 1665410 HKCTUNOKANLULH-ONEGZZNKSA-N 249.310 2.540 0 40 BFAB CCCOC(=O)N[C@@H](C)CCCN(CC)CC 2044175 XOHSMIBQMJBBCS-LBPRGKRZSA-N 244.379 2.633 0 40 BFAB CCOC(=O)COc1c(Cl)cccc1Cl 2566680 OKNYKYRPQGNADZ-UHFFFAOYSA-N 249.093 2.935 0 40 BFAB COc1ccc(-c2c[nH]c(=S)[nH]2)cc1 4770388 ZGWRBVZEHVWOEZ-UHFFFAOYSA-N 206.270 2.748 0 40 BFAB C[C@H](Oc1cccc2ccccc12)C(=O)N(C)C 5641116 FDFRQMRTRVUPJD-NSHDSACASA-N 243.306 2.695 0 40 BFAB c1cnn(C23CC4CC(CC(C4)C2)C3)c1 6119175 TWAYEKHIDSYYHV-UHFFFAOYSA-N 202.301 2.808 0 40 BFAB CCC(C)(C)Sc1ncnc2[nH]cnc12 8615449 NVAPPQGNQBNNLD-UHFFFAOYSA-N 222.317 2.634 0 40 BFAB CC1(C)Cc2nc(Cl)ccc2[C@H](O)C1 11919789 PLZSQKSUSQGCJR-SECBINFHSA-N 211.692 2.741 0 40 BFAB Cc1ccccc1[C@H](C)NC(=O)NCC1CC1 12894385 IGJCEUOLBHMIMX-NSHDSACASA-N 232.327 2.765 0 40 BFAB Cc1cccc(C(=O)N(C)Cc2ccco2)c1 12977014 MKYYSJWZTSYVNZ-UHFFFAOYSA-N 229.279 2.860 0 40 BFAB O=C(O)[C@@H](c1ccc(Cl)cc1)N1CCCC1 16764098 GSJYGYDFYYOTTD-LLVKDONJSA-N 239.702 2.562 0 40 BFAB CCN1CN=C(S)N([C@H](C)c2ccccc2)C1 20171170 OHZVZCBIKHMPBE-LLVKDONJSA-N 249.383 2.586 0 40 BFAB O=C(O)[C@H]1C[C@@H]1c1cccc(Br)c1 20392406 WQKBKSZJAIBOED-BDAKNGLRSA-N 241.084 2.637 0 40 BFAB CCOCCn1c(Cl)nc2ccccc21 22007277 AIQPWDHVCUXRBI-UHFFFAOYSA-N 224.691 2.726 0 40 BFAB Cc1cc(NC(=O)c2c[nH]c3ccccc23)no1 35139500 JWQUVRYDXNKYLB-UHFFFAOYSA-N 241.250 2.717 0 40 BFAB Oc1cc(C(F)F)n2c(n1)nc1ccccc12 36621322 KVEUKBJPCXEROP-UHFFFAOYSA-N 235.193 2.526 0 40 BFAB CC[C@@H](C)[C@H](N)CN1CC[C@@H]2CCCC[C@@H]2C1 36810175 KKIVHKXLMQQSPC-LXTVHRRPSA-N 238.419 2.872 0 40 BFAB Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)o1 40488472 XOFZAJQBRPFETK-NXEZZACHSA-N 221.300 2.706 0 40 BFAB O=C(O)CC1(c2ccccc2Cl)CC1 41225165 GAQITOVSCSNDTC-UHFFFAOYSA-N 210.660 2.846 0 40 BFAB CCc1ccc(C(=O)[C@@H]2CCC[C@H]2C(=O)O)cc1 43879180 HGHVZZVSKMIYNN-CHWSQXEVSA-N 246.306 2.933 0 40 BFAB CC[C@@H](Oc1ccccc1Cl)C(=O)N(C)C 44901434 RXFKXTNIEFJTKW-SNVBAGLBSA-N 241.718 2.586 0 40 BFAB O=C(NC1CCCCCCC1)NC1CC1 48844720 UNVAOEDKYIWROD-UHFFFAOYSA-N 210.321 2.561 0 40 BFAB CC(C)CCN1C(=O)CN(c2ccccc2)C1=O 65539448 IHJJTVQNWBOVOX-UHFFFAOYSA-N 246.310 2.501 0 40 BFAB c1ccc2c(C3CCNCC3)cncc2c1 68949091 GHDNZIXDBLDBKN-UHFFFAOYSA-N 212.296 2.702 0 40 BFAB CCO[C@H](c1ccccc1)[C@@H]1CCCNC1 72207904 NWNJMTGZDCTVCD-ZIAGYGMSSA-N 219.328 2.764 0 40 BFAB c1ccc(Nc2cccc([C@@H]3CCCN3)n2)nc1 72376494 HJFWOCDWPYDRTE-NSHDSACASA-N 240.310 2.645 0 40 BFAB N[C@@H]1CCCC[C@H]1NCc1cccc(Cl)c1 72411150 JHYUHPXZSRIESE-CHWSQXEVSA-N 238.762 2.700 0 40 BFAB COCCC1(CNC(C2CC2)C2CC2)CCC1 95423769 UXQHEOIGGNFVQH-UHFFFAOYSA-N 237.387 2.971 0 40 BFAB CC(C)[C@@H]1OCC[C@@H]1CNC(=O)OC(C)(C)C 96454045 VYPPPEXWROLDMF-MNOVXSKESA-N 243.347 2.572 0 40 BFAB Cc1cc(OCc2cc(C)on2)cc(C)n1 97098212 HNFOTKZMHDHZCD-UHFFFAOYSA-N 218.256 2.574 0 40 BFAB Clc1ccc(CC2=N[C@@H]3C=NN=C3S2)cc1 100011972 HSXVFSOMGMLYLX-SECBINFHSA-N 249.726 2.794 0 40 BFAB CCc1ccc(CC(=O)Nc2cccnc2)cc1 132784622 LKORFJNCIMWLBR-UHFFFAOYSA-N 240.306 2.825 0 40 BFAB Cc1c(F)cccc1N1CCN[C@@H]2CCCC[C@H]21 218835578 QEQVVJLEYCAMDZ-UKRRQHHQSA-N 248.345 2.855 0 40 BFAB Cc1ccc(C)c(N[C@@H]2CCCC[C@@H]2N)c1 218862426 NZRYCRAMATYRQM-QWHCGFSZSA-N 218.344 2.985 0 40 BFAB CCOC(OCC)c1scnc1Cl 225748392 AOXKFQZOIVOVQP-UHFFFAOYSA-N 221.709 2.868 0 40 BFAB Nc1cc(F)ccc1N1Cc2ccccc2C1=O 256051625 JXTOFYXFDQRUNA-UHFFFAOYSA-N 242.253 2.568 0 40 BFAB COC(=O)NCc1ccc(-c2cccs2)o1 575609551 XTCWKZJRHOXJEH-UHFFFAOYSA-N 237.280 2.864 0 40 BFAB Cc1c2c(Cl)nc(Cl)cc2nn1C 616569224 ONRXQTDEGJHWIN-UHFFFAOYSA-N 216.071 2.584 0 40 BFAB c1ccc(-c2nnnc3ccccc23)cc1 482061 YSKOFAYGTBLQTL-UHFFFAOYSA-N 207.236 2.692 0 40 BFAB O=C(O)[C@@H]1CCC=C[C@@H]1c1ccccc1 1702417 BGIMRFYLXRKZRA-VXGBXAGGSA-N 202.253 2.821 0 40 BFAB CCc1ccc(C(=O)[C@H]2CCC[C@H]2C(=O)O)cc1 2245620 HGHVZZVSKMIYNN-QWHCGFSZSA-N 246.306 2.933 0 40 BFAB c1cncc([C@H]2CCN[C@H](c3cccnc3)C2)c1 4654769 COWQBMIVVHLMNO-WFASDCNBSA-N 239.322 2.685 0 40 BFAB biogenic,in-vitro Cc1ccccc1OCCCC(=O)NC(C)C 5756297 OBHMVNVPRDQBTC-UHFFFAOYSA-N 235.327 2.679 0 40 BFAB CC[C@]1(C)Cc2ccccc2-c2nc[nH]c(=O)c21 8739052 UTJRGNCYPLAFDJ-OAHLLOKOSA-N 240.306 2.661 0 40 BFAB Nc1ccc(OCC2CCCC2)c(F)c1 14630593 XXONWNHQSNEALI-UHFFFAOYSA-N 209.264 2.977 0 40 BFAB in-vitro c1ccc(-c2nnn(C3CCCCC3)n2)cc1 15773496 RBURPPYVKCKFBK-UHFFFAOYSA-N 228.299 2.845 0 40 BFAB CCc1ccc(C2=N[C@H]3C=NN=C3S2)cc1 17957936 KPXQHSZONUDTHR-JTQLQIEISA-N 229.308 2.509 0 40 BFAB Cc1cc2sc(N)nc2c2cccnc12 19772635 GPJOICGGYSCBCY-UHFFFAOYSA-N 215.281 2.735 0 40 BFAB O=C(c1cc2cc(F)ccc2[nH]1)N1CCCC1 20028468 FFIGERJRDVQYHA-UHFFFAOYSA-N 232.258 2.543 0 40 BFAB CC(C)[C@@H](CNCc1ccccc1)N1CCCC1 20200907 ZONRGUDLRQKYFF-MRXNPFEDSA-N 246.398 2.897 0 40 BFAB Cc1ccc(NC(=O)Nc2nncs2)c(C)c1 27931599 FAWWDTAIDFOMQB-UHFFFAOYSA-N 248.311 2.799 0 40 BFAB CCN(CC)C(=O)c1nc2ccccc2s1 33704599 RORJTKQZWCGGQS-UHFFFAOYSA-N 234.324 2.778 0 40 BFAB CC(C)CO[C@@H](C)C(=O)N[C@@H](C)c1ccccc1 40521096 HTAKQRWIYDYUKA-STQMWFEESA-N 249.354 2.925 0 40 BFAB CCCC(=O)N[C@H](C)c1cccc(F)c1 42673073 LTEXQGXVNNXSID-SECBINFHSA-N 209.264 2.803 0 40 BFAB CC/C=C(\C)C(=O)NCCc1cccs1 46042061 ZHQRXRUQSYFKMM-BJMVGYQFSA-N 223.341 2.763 0 40 BFAB c1csc(CCNCc2ccoc2)c1 62103376 HEWYQHFSVFXBMX-UHFFFAOYSA-N 207.298 2.673 0 40 BFAB Cc1nc2ccc(-c3ccccc3)cc2c(=O)[nH]1 65578863 CSYCWUGZWXHXON-UHFFFAOYSA-N 236.274 2.899 0 40 BFAB CCO[C@H](c1ccccc1)[C@H]1CCCNC1 72207906 NWNJMTGZDCTVCD-UONOGXRCSA-N 219.328 2.764 0 40 BFAB Cc1cc([C@H]2CCCN(C(C)C)C2)ccn1 72356965 NYKUVWBCTZCOQA-AWEZNQCLSA-N 218.344 2.978 0 40 BFAB O=C(Nc1cnoc1)c1cc2ccccc2o1 75170822 RMWALWKQVVVBEU-UHFFFAOYSA-N 228.207 2.673 0 40 BFAB C[C@@H]1C[C@@H]([C@H](F)C(=O)O)CC(C)(C)C1 88157438 JEGHILZSWHCDQW-HLTSFMKQSA-N 202.269 2.872 0 40 BFAB CCOC(=O)c1cc(C2CCCCC2)on1 88242134 IUCHORJZHSIIFP-UHFFFAOYSA-N 223.272 2.899 0 40 BFAB O=Cc1nc(-c2cc(Cl)cc(Cl)c2)no1 89262083 XTKFPYYCPCFJET-UHFFFAOYSA-N 243.049 2.856 0 40 BFAB Cc1csc(CNc2ccc3[nH]ncc3c2)n1 95440136 NZWQOLZEGMEYEM-UHFFFAOYSA-N 244.323 2.940 0 40 BFAB C[C@@H](N)c1ccn(CCCC2CCCC2)n1 96524129 XBOAYCGAQVSGFN-LLVKDONJSA-N 221.348 2.873 0 40 BFAB Cc1ncccc1CN(C)[C@@H](C)c1ccccn1 97113659 INLVSMKZFPIIAX-ZDUSSCGKSA-N 241.338 2.978 0 40 BFAB CS[C@@H]1CCC[C@@H]1N(C)Cc1ccncc1 110642623 YXXAIBOGHXAHKN-QWHCGFSZSA-N 236.384 2.798 0 40 BFAB COC(=O)c1nc(-c2ccccc2Cl)c[nH]1 256050866 GUPOFOQABOOOFB-UHFFFAOYSA-N 236.658 2.517 0 40 BFAB CCOC(=O)c1cc(-c2ccc(C)s2)on1 260541170 FHKSDZKHKFFXBM-UHFFFAOYSA-N 237.280 2.888 0 40 BFAB Cc1cnc(N2CCC(C(F)(F)F)CC2)nc1 270211263 GIABRDNWQRJHCV-UHFFFAOYSA-N 245.248 2.564 0 40 BFAB C[C@@H]1[C@@H]2CCCC(=O)[C@@]2(C)CCC12OCCO2 2362801474 IODJNNKRQJTWEJ-MDZLAQPJSA-N 238.327 2.535 0 40 BFAB CC(C)Oc1ccc(C(=O)CCN(C)C)cc1 340706 CEADICDPFRWLTO-UHFFFAOYSA-N 235.327 2.608 0 40 BFAB COc1ccc2c(c1)-c1cc(OC)ccc1C2=O 1556211 UJNAXQMROWKSIE-UHFFFAOYSA-N 240.258 2.915 0 40 BFAB CCCNC(=O)Nc1ccc(OC)cc1Cl 1741020 BKWVAFWYERTOHD-UHFFFAOYSA-N 242.706 2.880 0 40 BFAB CCCCC(=O)Nc1ccc(OC)cc1 3016784 SFNFPERLYGZCAT-UHFFFAOYSA-N 207.273 2.824 0 40 BFAB N[C@@H](c1ccc(F)cc1)c1cccs1 4207004 BOGWHDQPKMAKPT-NSHDSACASA-N 207.273 2.935 0 40 BFAB COc1cc([C@H](N)Cc2ccccc2)ccc1O 6483753 KWISEIFXKVXFMZ-CYBMUJFWSA-N 243.306 2.643 0 40 BFAB Sc1nnc(Nc2ccccc2)s1 13114103 BOJLJKMUGYYKCZ-UHFFFAOYSA-N 209.299 2.570 0 40 BFAB in-vitro CC(C)c1ccc(O[C@H]2CCNC2)cc1 14632242 OIJKMXCBZFMSIS-ZDUSSCGKSA-N 205.301 2.551 0 40 BFAB in-vitro CC(C)(C)c1ccc(CC(N)=S)cc1 19272620 NGAIUUAINOGRBP-UHFFFAOYSA-N 207.342 2.813 0 40 BFAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NC1CC1 20108914 NMLUVKIIZHARLP-CYBMUJFWSA-N 247.338 2.739 0 40 BFAB COc1cccc(CN[C@@H](C)C(C)C)c1 20305361 JPYHQCSJFGMNMH-NSHDSACASA-N 207.317 2.829 0 40 BFAB C[C@@H](NC(=O)NC1CC1)c1ccc(Cl)s1 20536293 DBPSVWNKITWIST-ZCFIWIBFSA-N 244.747 2.924 0 40 BFAB CCOC(=O)c1cc2cc3ccccc3nc2[nH]1 26421540 MVYFBDMUJHTBHC-UHFFFAOYSA-N 240.262 2.893 0 40 BFAB C[C@H]1C[C@H](C)CN(C(=O)c2cc(Cl)c[nH]2)C1 30860495 CKRDLUVISVXYJK-IUCAKERBSA-N 240.734 2.786 0 40 BFAB C[C@@H]1C[C@H]1C(=O)NC1(c2ccccc2)CCC1 32841208 NWKRUTIFHKDZNJ-DGCLKSJQSA-N 229.323 2.838 0 40 BFAB C[C@H](Cn1ccnc1)c1ccc(F)cc1 33493775 VLPGQKPLQFOSAY-SNVBAGLBSA-N 204.248 2.826 0 40 BFAB C[C@@H]1C[C@@H](C)CN([C@H](C(=O)O)c2ccccc2)C1 36314234 MWFQTSRXJJVKFN-BZPMIXESSA-N 247.338 2.790 0 40 BFAB CC(C)c1nn(-c2ccc(F)cc2)cc1C(=O)O 36894453 KWTOAGLGMYDAHM-UHFFFAOYSA-N 248.257 2.833 0 40 BFAB CCOc1c(F)ccc(C(C)=O)c1F 38529960 WKSSJUBUQZDDLP-UHFFFAOYSA-N 200.184 2.566 0 40 BFAB O=Cc1cnn(-c2cc(Cl)ccc2Cl)c1 40449011 VPZQFOYPBHYLJW-UHFFFAOYSA-N 241.077 2.992 0 40 BFAB CC(=O)N(C)[C@@H](C)c1ccccc1Cl 45442664 HXFXYSLGEXMEGK-QMMMGPOBSA-N 211.692 2.879 0 40 BFAB CC(=O)[C@@H]1C[C@H](c2cccc(Cl)c2)OC1=O 57529500 FARKQLIPCMMMSL-WDEREUQCSA-N 238.670 2.533 0 40 BFAB O[C@H](c1ccc(Cl)cc1F)C1CC1 70735944 GOFWTQNPGNZQSH-JTQLQIEISA-N 200.640 2.923 0 40 BFAB OC1=N[C@@H](c2ccsc2)N2CCCC[C@@H]12 71967381 WAENQLOOEBXYDO-VHSXEESVSA-N 222.313 2.571 0 40 BFAB Fc1cccc(-n2cnc(Br)c2)c1 72193529 LNKAWAMDIGIGGR-UHFFFAOYSA-N 241.063 2.774 0 40 BFAB CCN1CCCC[C@H]1c1cccnc1OC 72211736 IZDCECQTOSFWDI-LBPRGKRZSA-N 220.316 2.637 0 40 BFAB CCCCCC[C@@H](C)NC(=O)N1CCC1 84743063 WHUYWFTTXMXOFS-LLVKDONJSA-N 212.337 2.761 0 40 BFAB CCOC(=O)c1ccc2nc(CC)oc2c1 95215831 YLQWLWMRZGHQGR-UHFFFAOYSA-N 219.240 2.567 0 40 BFAB Cc1ccnc(N[C@@H]2CCOC3(CCCC3)C2)n1 95425685 MNKQYDLEDVDOHG-GFCCVEGCSA-N 247.342 2.689 0 40 BFAB CC(C)(CC(=O)O)CC(=O)c1cccc(F)c1 95634403 ZNWVPRYGZOEHRI-UHFFFAOYSA-N 238.258 2.899 0 40 BFAB CC(C)(C)NC(=O)[C@]1(Cl)C[C@H]2CC[C@H]1C2 100020045 IDAWKBSGBCJOGP-AUTRQRHGSA-N 229.751 2.699 0 40 BFAB C[C@@H](c1cccc(Cl)c1)N1CCC[C@@H](O)C1 100213378 JWCOLZVFSATOJX-GXFFZTMASA-N 239.746 2.858 0 40 BFAB C[C@@H]1O[C@@H](C)O[C@@H](c2ccccc2O)[C@H]1C 101105836 OSYQUVFLQIPNCW-QISWUMQESA-N 222.284 2.851 0 40 BFAB Cc1ccc(C[C@H]2C[C@H]2C(=O)O)cc1C 217823850 FTYLSIKEUCKWEW-NWDGAFQWSA-N 204.269 2.567 0 40 BFAB CC(C)(C)OC(=O)Nc1ccsc1CO 575440692 OLUXTXAYRKATBW-UHFFFAOYSA-N 229.301 2.587 0 40 BFAB FC(F)c1c[nH]c2ncc(Br)nc12 575629383 UIILGKCWSLLCMZ-UHFFFAOYSA-N 248.030 2.658 0 40 BFAB FC(F)(F)c1ccnc(O[C@H]2CCSC2)c1 585655127 SUGNUQIBZQGWFX-QMMMGPOBSA-N 249.257 2.985 0 40 BFAB Cn1ccc(=O)n1Cc1cccc(C(C)(C)C)c1 664049758 ZSSVTKCEXUHUCV-UHFFFAOYSA-N 244.338 2.533 0 40 BFAB CCOC(=O)[C@@H]1C[C@H]1c1cc(F)cc(F)c1 1857793807 ZNIMSTRTIQDVHW-WDEREUQCSA-N 226.222 2.631 0 40 BFAB O=C(O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccccc1 397878 CMLOGIAOLIBOQF-RYUDHWBXSA-N 247.294 2.516 0 40 BFAB CCN(CC)C(=O)/C=C/c1ccc(C)cc1 504571 UUWUZOWQKPANJO-ZHACJKMWSA-N 217.312 2.877 0 40 BFAB Cc1ccc(OC[C@H]2CO2)c(Br)c1 1578072 DAQKAYNUNRPQFT-MRVPVSSYSA-N 243.100 2.535 0 40 BFAB CC(=O)Nc1nc2c(s1)CCc1ccccc1-2 1598296 QMHPCMDFILVHES-UHFFFAOYSA-N 244.319 2.867 0 40 BFAB C[C@H](N)Cc1ccc(C(F)(F)F)cc1 1684592 SUUROQOAYQTBFV-ZETCQYMHSA-N 203.207 2.595 0 40 BFAB in-vitro CN1CC[C@]2(C)C[C@@H](Cc3ccc(O)cc32)C1 1846076 ZOWQTJXNFTWSCS-IAQYHMDHSA-N 231.339 2.548 0 40 BFAB investigational CC[C@@](CCN(C)C)(OC(C)=O)c1ccccc1 2042812 FUIVJBYQQVARHT-HNNXBMFYSA-N 249.354 2.807 0 40 BFAB CC(C)(Cc1ccc(S)cc1)C(=O)O 2583544 XXDIJXPNRJHFRH-UHFFFAOYSA-N 210.298 2.629 0 40 BFAB in-vitro Fc1ccccc1CNCc1ccncc1 8435776 HQHGGSMRWFNBHK-UHFFFAOYSA-N 216.259 2.511 0 40 BFAB CCC(C)(C)C(=O)Nc1cccc(N)c1 8703411 FQRJTKNSIYPNFG-UHFFFAOYSA-N 206.289 2.644 0 40 BFAB Cc1cc(NC(=O)N[C@@H]2CCCC[C@@H]2C)no1 9366089 FRXVSEQDCJXPHV-WCBMZHEXSA-N 237.303 2.683 0 40 BFAB Cc1ccc(NC(=O)c2ccc(CN)o2)cc1C 11628086 PCNPIYJUPQBPOY-UHFFFAOYSA-N 244.294 2.607 0 40 BFAB C[C@@H]1C[C@H]1C(=O)Nc1nc2ccccc2s1 12921726 FHJQNQMNXFCJJM-HTQZYQBOSA-N 232.308 2.891 0 40 BFAB CC1=C(c2ccc(F)cc2)[N+](=O)C(C)(C)N1O 15985296 FALYGFDPKJHFAV-UHFFFAOYSA-N 237.254 2.734 0 40 BFAB Cc1cc(N)c(NC(=O)C2CCC2)cc1C 20157586 ZMLZOJDUNZCTPY-UHFFFAOYSA-N 218.300 2.624 0 40 BFAB N[C@H](c1cccc(C(F)(F)F)c1)C(F)F 20475336 WMEKOGNKRBECFX-SSDOTTSWSA-N 225.160 2.970 0 40 BFAB in-vitro C[C@H](Cc1ccc(F)cc1)NCc1ccncc1 23279997 HPJOOWDYKHLCIB-GFCCVEGCSA-N 244.313 2.942 0 40 BFAB CNC(=O)c1ccc2c(c1)-c1ccccc1C2 24002987 BHCUBNMASJICOI-UHFFFAOYSA-N 223.275 2.617 0 40 BFAB Cc1c(NC(=O)Nc2cccc(F)c2)cnn1C 32648123 HJNQWOJWMRLSJF-UHFFFAOYSA-N 248.261 2.512 0 40 BFAB O=c1ccccn1Cc1cccc(Cl)c1 32741454 DKCLLNCIWCEVCR-UHFFFAOYSA-N 219.671 2.550 0 40 BFAB Cc1cccc(C(=O)NCc2ccoc2)c1C 32926522 DDBLAIPHWHYURM-UHFFFAOYSA-N 229.279 2.826 0 40 BFAB Cc1ccc(NC(=O)[C@H]2C[C@@H]2C)c(F)c1 32960651 UVQQBXXBCAUDRX-IUCAKERBSA-N 207.248 2.729 0 40 BFAB O=C(O)c1cnc(-c2c(F)cccc2F)s1 34975455 BZFOWNXSECHVCB-UHFFFAOYSA-N 241.218 2.787 0 40 BFAB COc1ccc(CCCCCC(=O)O)cc1 35324005 GYLAUURZVLOHNI-UHFFFAOYSA-N 222.284 2.883 0 40 BFAB in-vitro CCc1ccc(C(=O)N[C@@H](C)Cc2ccco2)o1 40082281 ZKBCCDBTKJAYLZ-JTQLQIEISA-N 247.294 2.796 0 40 BFAB CC(C)CO[C@H](C)C(=O)Nc1ccc(F)cc1 40521089 SUYZFURALQUZGH-SNVBAGLBSA-N 239.290 2.825 0 40 BFAB CC[C@@H](CN)Cc1ccc(Br)cc1 52947314 PNEMHRYMQMKKCA-SECBINFHSA-N 242.160 2.977 0 40 BFAB CCC(=O)Oc1ccc(C(F)F)cc1 77011896 OBEJMWROBFNQIA-UHFFFAOYSA-N 200.184 2.940 0 40 BFAB Cc1noc(C)c1NC(=O)c1ccc(F)cc1 84025565 VPEIRJMWEBYONN-UHFFFAOYSA-N 234.230 2.683 0 40 BFAB Cc1cc2c(o1)C[C@@H](C(F)(F)F)CC2=O 85399185 JOBGRBCGAAXBKA-LURJTMIESA-N 218.174 2.895 0 40 BFAB Cc1cccc(CSc2cc(N)ncn2)c1 87851366 VDOWRSQTUMWDFP-UHFFFAOYSA-N 231.324 2.660 0 40 BFAB CC(C)[C@@H](C)SCc1cc(=O)c(O)co1 95414715 ODJJMJYDMJBXPS-MRVPVSSYSA-N 228.313 2.623 0 40 BFAB FC(F)(F)c1csc(NCC2CC2)n1 95971856 ABEBWLCRZHGIPZ-UHFFFAOYSA-N 222.235 2.984 0 40 BFAB Cn1c2ccccc2c2cc(C(N)=S)ccc21 96026283 KEJKCPOQGGTRDD-UHFFFAOYSA-N 240.331 2.966 0 40 BFAB CC(=O)N1CCC2(CCc3ccc(C)cc32)CC1 96241702 MBFNINIJFYUZSA-UHFFFAOYSA-N 243.350 2.821 0 40 BFAB CCC[C@@H]1C[C@H]1NC(=O)Nc1ccncc1F 97135945 YXICRCWWFLHCIM-LDYMZIIASA-N 237.278 2.531 0 40 BFAB NC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1 98018604 DPWVXQZUAQUZMI-UHFFFAOYSA-N 244.121 2.900 0 40 BFAB CC1CCC(NC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)CC1 102249644 CDIIOWYEMHGKAH-BMYFTYEUSA-N 233.355 2.894 0 40 BFAB Cc1ccc(NC(=O)N(C)CC(F)F)cc1 103502076 MQTWFRUFAAKCDS-UHFFFAOYSA-N 228.242 2.724 0 40 BFAB CCN(CCCC(=O)O)c1cc(C)ccc1C 157758982 KUJHEDMPPINPBX-UHFFFAOYSA-N 235.327 2.995 0 40 BFAB CCCn1cc(C=O)c2cc(C(=O)OC)ccc21 199822042 FAMYIXDVJFUOAN-UHFFFAOYSA-N 245.278 2.650 0 40 BFAB O=C(O)[C@H]1C[C@H]1Cc1ccc(Cl)cc1 215944470 HALAZAZTPYNQQS-SCZZXKLOSA-N 210.660 2.603 0 40 BFAB COc1ccc(Cl)c(C(=O)C(F)F)c1 307300546 SIZDHQBKWPQONO-UHFFFAOYSA-N 220.602 2.796 0 40 BFAB Cc1cnn(-c2cccc(C(F)(F)F)n2)c1 1775995406 UEBIKOUTXQNSDG-UHFFFAOYSA-N 227.189 2.595 0 40 BFAB Cc1cncc(Oc2cccc(F)c2)n1 1888882023 SGVFJUWPVKTNJG-UHFFFAOYSA-N 204.204 2.716 0 40 BFAB c1ccc(N2CN(c3ccccc3)C2)cc1 1588726 QMOHONULRGKGHP-UHFFFAOYSA-N 210.280 2.928 0 40 BFAB Clc1nc(Cl)n2c(Cl)cncc12 1743326 IGFRITHIQMTMQD-UHFFFAOYSA-N 222.462 2.690 0 40 BFAB CCN(CC)c1ncnc2c1[nH]c1ccccc12 2479495 NVZPHFBZVKNOBI-UHFFFAOYSA-N 240.310 2.957 0 40 BFAB COC(=O)c1ccc(COc2ccccc2)o1 2661552 HRQHIOAJVPXLOP-UHFFFAOYSA-N 232.235 2.645 0 40 BFAB COc1ccc(C2=[N+]([O-])C(C)(C)CC2)cc1 3051264 DWDCLCNGRSPLAB-UHFFFAOYSA-N 219.284 2.567 0 40 BFAB CCC(=O)Nc1nc(-c2ccccn2)cs1 4059111 QWNPCALGIYBSIX-UHFFFAOYSA-N 233.296 2.554 0 40 BFAB CSc1ccc(-c2nnc(N)s2)cc1 5662259 BATIZPDGOUSHDS-UHFFFAOYSA-N 223.326 2.509 0 40 BFAB c1csc(-c2ccnc(-n3cccc3)n2)c1 5778544 YQXWMWZYIVLUDK-UHFFFAOYSA-N 227.292 2.996 0 40 BFAB CCc1ccc(CNCc2ccncc2)cc1 6870940 ZKDMSYFHSIKAAP-UHFFFAOYSA-N 226.323 2.934 0 40 BFAB Cc1cc(CSc2nc(C(C)C)n[nH]2)no1 8944942 ZGQAJNJFXVRSEN-UHFFFAOYSA-N 238.316 2.517 0 40 BFAB Brc1cccc(-n2ccnc2)c1 13283501 QUGKDYCNOGZPMO-UHFFFAOYSA-N 223.073 2.635 0 40 BFAB CC[C@@H]1CCCCN1C(=O)c1cc(C2CC2)on1 13363671 GSUNKTLHDHCHJY-LLVKDONJSA-N 248.326 2.957 0 40 BFAB Fc1ccc(OCC[C@@H]2CCCCN2)cc1 14632331 JHYKGGGNELYUTC-LBPRGKRZSA-N 223.291 2.737 0 40 BFAB CCNC(=O)Nc1ccc(N(CC)CC)cc1C 19074651 IHMQBNQJHBTUSG-UHFFFAOYSA-N 249.358 2.983 0 40 BFAB Nc1ccccc1SCc1cccnc1 19436667 UUVNDWRTXKFOJG-UHFFFAOYSA-N 216.309 2.956 0 40 BFAB Nc1cc(Cl)ccc1NC(=O)c1cccnc1 20344204 YQPLIWGGCAFQCA-UHFFFAOYSA-N 247.685 2.570 0 40 BFAB CC[C@H](C)N(CC(=O)O)Cc1ccccc1F 33468495 SJHLZNROYFPOEM-JTQLQIEISA-N 239.290 2.511 0 40 BFAB CCc1onc(-c2ccccc2)c1C(=O)O 34086227 BKVNATITQUEJFR-UHFFFAOYSA-N 217.224 2.602 0 40 BFAB in-vitro CCC[C@H](O)c1ccc(OC)cc1OC 34741785 MARHZILTLMEJQM-NSHDSACASA-N 210.273 2.537 0 40 BFAB O=C(Nc1nccs1)c1cc2ccccc2[nH]1 35127576 LAYGQJJPLOWSRJ-UHFFFAOYSA-N 243.291 2.877 0 40 BFAB OC[C@H](NCc1ccccc1)c1ccc(F)cc1 38110976 UFVQMSGKHFTHDR-HNNXBMFYSA-N 245.297 2.649 0 40 BFAB Cc1ccsc1C(=O)Nc1cccnc1 40459471 FUFKRTRPFBIIAB-UHFFFAOYSA-N 218.281 2.704 0 40 BFAB CCONC(=O)c1ccc(SC(F)F)cc1 40489218 FFYHBOKKPFEIQT-UHFFFAOYSA-N 247.266 2.683 0 40 BFAB O=C(O)c1ncccc1-c1cccc(F)c1 41229474 WOEUFTLRPOSDFN-UHFFFAOYSA-N 217.199 2.586 0 40 BFAB C[C@@H]1CCCCN1C(=O)CCc1ccco1 41952069 TXZRJKWFXTYLPD-LLVKDONJSA-N 221.300 2.613 0 40 BFAB Cc1cc(F)ccc1NCc1ncccn1 54459015 BMMSFIVKTBCIHS-UHFFFAOYSA-N 217.247 2.536 0 40 BFAB Cc1cc([C@H](O)c2ccccn2)ccc1F 55201251 LGTWFDRUFDTSGC-ZDUSSCGKSA-N 217.243 2.611 0 40 BFAB CCOc1ccc(Cl)cc1C(=O)OC 57331983 QGEUDBIRXMKEKB-UHFFFAOYSA-N 214.648 2.525 0 40 BFAB COc1ccc(Cl)c(Cl)c1[N+](=O)[O-] 59595264 BHJTYLCUHUTYEE-UHFFFAOYSA-N 222.027 2.910 0 40 BFAB FC1(F)C=C[C@@](Cl)(C(F)(F)F)O1 68591068 AHZFMOJDSSHKSD-VKHMYHEASA-N 208.513 2.663 0 40 BFAB CC(C)NCc1cc(-c2cnccn2)ccc1F 69499251 IRTLSRYTIUKAFM-UHFFFAOYSA-N 245.301 2.781 0 40 BFAB Cc1cc(O)ncc1[C@@H]1CCCN1CC(C)C 72218143 QDLUJXRLUFPUAQ-ZDUSSCGKSA-N 234.343 2.889 0 40 BFAB CNc1ncc(C(=O)c2ccccc2)cc1C 72222016 YFYVSFXVIWTQIG-UHFFFAOYSA-N 226.279 2.663 0 40 BFAB CCC(=O)c1cnc(N(CC)CC)cc1C 72223258 VLPRMHRYCOWTBT-UHFFFAOYSA-N 220.316 2.829 0 40 BFAB CCOc1cc(C(=O)O)ccc1C(C)C 72226052 UZNFMSFHNTZHQJ-UHFFFAOYSA-N 208.257 2.907 0 40 BFAB c1cnc(C2CCN(C3CCCC3)CC2)cn1 72356811 RBYYBPNPQRATAA-UHFFFAOYSA-N 231.343 2.599 0 40 BFAB Cc1ccccc1NC(=O)c1c(C)nn(C)c1C 74667862 RKQCRQHNWXXWFR-UHFFFAOYSA-N 243.310 2.598 0 40 BFAB c1ccc2c(c1)C[C@@H](CN1CCCCC1)N2 87655849 VXWALNMCVKTVNT-ZDUSSCGKSA-N 216.328 2.509 0 40 BFAB CCOC(=O)c1cc(-c2ccc(C)c(C)c2)[nH]n1 95875835 ZHFCMOOUQWYSST-UHFFFAOYSA-N 244.294 2.870 0 40 BFAB C[C@@H](O)CCN[C@@H]1[C@@H]2CCCC[C@@H]2C1(C)C 95971789 CPDMXRYHHQKSLE-FVCCEPFGSA-N 225.376 2.562 0 40 BFAB OC/C(Br)=C\C1CCCCC1 199941935 KDUQCNNBLUIICP-RMKNXTFCSA-N 219.122 2.838 0 40 BFAB CCCOc1ccc2[nH]c(C)c(CNC)c2c1 223759611 IYZSVJUZVUKBNE-UHFFFAOYSA-N 232.327 2.985 0 40 BFAB FC(F)c1scnc1Br 575629531 ZTQYOMXYSAOAHR-UHFFFAOYSA-N 214.034 2.843 0 40 BFAB Cc1ccnc(OCc2ccccc2C)n1 585650770 DWZFVOWIGJBCTM-UHFFFAOYSA-N 214.268 2.672 0 40 BFAB CCCCCNc1c(N)c(=O)oc2ccccc12 2024242 ZVCJMUMGXDMRAH-UHFFFAOYSA-N 246.310 2.977 0 40 BFAB c1ccc(-c2nnc(-c3ccccn3)o2)cc1 3055708 QIKALNJWTVDPOF-UHFFFAOYSA-N 223.235 2.799 0 40 BFAB CC(C)n1ncc2c(C(=O)O)cc(C3CC3)nc21 3407206 YZDILIKIHKVAHO-UHFFFAOYSA-N 245.282 2.588 0 40 BFAB CC(=O)c1ccc(NC2=NC[C@H](C)S2)cc1 4047798 WENWMLIILWNSTP-QMMMGPOBSA-N 234.324 2.792 0 40 BFAB COC(=O)c1cccc(-c2ccco2)c1 4299152 JIFLATATBSNBKH-UHFFFAOYSA-N 202.209 2.733 0 40 BFAB CCOC(=O)[C@H]1c2[nH]c(C)c(C)c2S[C@H]1C 5796694 KDAGWSDHTPDJCQ-DTWKUNHWSA-N 239.340 2.772 0 40 BFAB Cc1cccc([C@H]2CCCN2CCC(=O)O)c1 12398732 LNEHZQOPLIYHFP-CYBMUJFWSA-N 233.311 2.607 0 40 BFAB Nc1ccc(NC(=O)c2cccc(Cl)c2)nc1 13534586 ZUGCVEFMTHYGLY-UHFFFAOYSA-N 247.685 2.570 0 40 BFAB COC(=O)CCn1c(C(C)C)cc2cccnc21 19453079 CFRSESBJYBYAIL-UHFFFAOYSA-N 246.310 2.723 0 40 BFAB COc1ccc(OC)c(C(=O)C2CCC2)c1 19725791 DFZSKAUJLUFJOB-UHFFFAOYSA-N 220.268 2.687 0 40 BFAB CCC(C)(C)NCC(=O)Nc1cccc(F)c1 20036039 LCKZOPKDVOUEQW-UHFFFAOYSA-N 238.306 2.542 0 40 BFAB Cc1nc(CC(=O)Nc2ccccc2)cs1 21354592 PYUKVSFOQRHAGK-UHFFFAOYSA-N 232.308 2.633 0 40 BFAB O=C(O)c1ccccc1Nc1ccncc1 26479899 MJHIUTGYCYFAQM-UHFFFAOYSA-N 214.224 2.523 0 40 BFAB CCN(CC)C(=O)c1cn(C)c2ccccc12 32738566 ZIPQBIFTODRTQG-UHFFFAOYSA-N 230.311 2.660 0 40 BFAB O=C(c1cccnc1)N1CCC[C@H]2CCCC[C@@H]21 32819486 CGAJISHBFSDDEQ-OCCSQVGLSA-N 244.338 2.876 0 40 BFAB CCc1cccc(NC(=O)CCSC)c1 32962632 SIDQQQMEVUOALJ-UHFFFAOYSA-N 223.341 2.941 0 40 BFAB COc1ccc(Cl)cc1[C@H](C)C(=O)O 36159102 HCKLGURFMICNOZ-LURJTMIESA-N 214.648 2.537 0 40 BFAB CCCOc1ccc(O[C@H]2CCCNC2)cc1 42782853 HIMCWAWJYDZJTD-AWEZNQCLSA-N 235.327 2.606 0 40 BFAB CC(=O)Nc1cc(Cl)c(N)cc1Cl 45891435 ROKKABNPZRSHHY-UHFFFAOYSA-N 219.071 2.534 0 40 BFAB O=C(CCCc1cccs1)N1CCCC1 46466804 IMHINHYMDSCVKL-UHFFFAOYSA-N 223.341 2.693 0 40 BFAB Nc1ncc(-c2cccnc2)cc1C(F)(F)F 47212440 LMGGMYHIORVJGZ-UHFFFAOYSA-N 239.200 2.745 0 40 BFAB CSCc1nnc(SCC(C)C)o1 48396473 BPLXVWUXOIMPMN-UHFFFAOYSA-N 218.347 2.681 0 40 BFAB CNC[C@@H](OC(C)C)c1cccc(F)c1 50483561 KZOAYRCZMDCIBO-GFCCVEGCSA-N 211.280 2.511 0 40 BFAB CCc1cc2c(Nc3cn[nH]c3)ncnc2s1 58248773 LJQLXTZPFSOSFX-UHFFFAOYSA-N 245.311 2.720 0 40 BFAB CCCCOc1c(F)cc(C(=O)O)cc1F 63003994 REOFWIDATSEQBF-UHFFFAOYSA-N 230.210 2.842 0 40 BFAB O=C(OCCCc1ccncc1)[C@H]1CC=CCC1 69189318 DCIRSFOGIPZGEH-AWEZNQCLSA-N 245.322 2.914 0 40 BFAB Cc1cnn([C@@H](C)[C@@H](C)NCc2ccsc2)c1 69491598 AZPUCFRNCFLPBT-NEPJUHHUSA-N 249.383 2.992 0 40 BFAB CN[C@H]1CCc2ccc(Br)cc21 70453310 VMOGBOBURVTQOJ-JTQLQIEISA-N 226.117 2.656 0 40 BFAB in-vitro CNc1ccc([C@@H]2CCCCN2C(C)=O)c(C)n1 72219134 DBVOPBKXBZTBHA-ZDUSSCGKSA-N 247.342 2.505 0 40 BFAB Cc1ccc(Oc2cccc(C(=O)O)n2)c(C)n1 72323935 GXKAKVOTHVBHQE-UHFFFAOYSA-N 244.250 2.584 0 40 BFAB COc1ccc(CNC(=O)OC(C)(C)C)cc1 75244063 OVAFZCTWIMXZLF-UHFFFAOYSA-N 237.299 2.720 0 40 BFAB COC(=O)c1cc(OC(F)(F)F)ccc1F 75914932 CZZFOTDRIBMDHG-UHFFFAOYSA-N 238.136 2.511 0 40 BFAB Brc1cncc(OCC2CC2)c1 78766566 MHKMTBYQYDDNFN-UHFFFAOYSA-N 228.089 2.633 0 40 BFAB COC(=O)c1ccc(OC(C)C)cc1C 82721941 DYCOBOQKFWUVNG-UHFFFAOYSA-N 208.257 2.569 0 40 BFAB CC(C)(C)c1ncc2c(Cl)nccn12 89195452 RDQIAYLBZXDMOZ-UHFFFAOYSA-N 209.680 2.680 0 40 BFAB Cc1cc(-c2cccc(C=O)c2)sn1 91696000 IQJYCRMKKIXHEK-UHFFFAOYSA-N 203.266 2.931 0 40 BFAB C[C@H]1CCCCN1Cc1cccc(C=O)c1 95738621 LFKSENBXQNHAGH-LBPRGKRZSA-N 217.312 2.874 0 40 BFAB CC(C)COC[C@H](C)N[C@@H]1CCCSC1 97370869 CXJFPFRBPGAMIX-NWDGAFQWSA-N 231.405 2.533 0 40 BFAB COc1c(Cl)cc(C=O)c(C)c1F 98073375 VILWOSMVUDTFHT-UHFFFAOYSA-N 202.612 2.609 0 40 BFAB Nc1cc(F)c(OCC2CCC2)c(F)c1 98213964 WKVGKJIDRIJJPY-UHFFFAOYSA-N 213.227 2.726 0 40 BFAB O=C(N[C@@H]1C[C@@H]2CC[C@@H]1C2)C1CCCCC1 100106813 QLUAISSKUYNJKR-RAIGVLPGSA-N 221.344 2.872 0 40 BFAB CC1=NN(c2nc3ccccc3s2)C(=O)CC1 140237937 KVOFMERLMKVUCR-UHFFFAOYSA-N 245.307 2.799 0 40 BFAB Cc1cccc(-n2ncc3ccccc3c2=O)c1 69884 RNUJEBHWVPBPET-UHFFFAOYSA-N 236.274 2.694 0 40 BFAB O=C1CCCC(O[C@@H]2CCCCO2)CCC1 162307 XVKFFUIPGLOBTI-CYBMUJFWSA-N 226.316 2.822 0 40 BFAB CNC(=O)Oc1ccc(N(C)C)cc1C(C)C 1716722 SSHFIIVNNLFNEQ-UHFFFAOYSA-N 236.315 2.594 0 40 BFAB CC1CCC(O)([C@H](C(=O)O)c2ccccc2)CC1 1734000 YYQPXJFURRUIAG-QRJNDHJOSA-N 248.322 2.796 0 40 BFAB CCCCC(=O)Nc1ccccc1C(=O)OCC 2057668 HUTZNUSTCSROCO-UHFFFAOYSA-N 249.310 2.992 0 40 BFAB Cc1cc(N)n(-c2ccc3ccccc3c2)n1 3175968 VHIBLPZLWCHLHH-UHFFFAOYSA-N 223.279 2.916 0 40 BFAB C[C@H](N)c1ncc(-c2ccc(F)cc2)o1 11587064 RKQGJMPPTDSKJB-ZETCQYMHSA-N 206.220 2.500 0 40 BFAB in-vitro O=C(Nc1noc2ncccc12)c1cccs1 11694962 BKXKBIHWZHXEPA-UHFFFAOYSA-N 245.263 2.537 0 40 BFAB Cc1cc(=O)c2cc(Cl)cc(C)c2[nH]1 11768855 PLHFDOQNTFNGTM-UHFFFAOYSA-N 207.660 2.798 0 40 BFAB in-vitro Cc1ccccc1CC(=O)Nc1ccccn1 12545122 CVPIYPJQCMYQKX-UHFFFAOYSA-N 226.279 2.571 0 40 BFAB COc1cccc(-c2ccccc2CN)c1 14629063 XBKCWOTWIUGAPY-UHFFFAOYSA-N 213.280 2.821 0 40 BFAB CCOC(=O)c1cnc2ccc(F)cc2c1OC 19897585 TZBBLLUVUYFNTE-UHFFFAOYSA-N 249.241 2.559 0 40 BFAB Fc1ccc(F)c(NCc2cccnc2)c1 19907780 GEHGNHALMDPWSL-UHFFFAOYSA-N 220.222 2.972 0 40 BFAB Nc1cc(-c2ccc(Cl)cc2F)no1 20078655 JGZJCXVUFYZHTL-UHFFFAOYSA-N 212.611 2.716 0 40 BFAB N#C[C@H](Cc1cccc2ccccc12)C(=O)O 34363840 NUSBDSQULWMBEU-LBPRGKRZSA-N 225.247 2.607 0 40 BFAB CCOCCCNC(=O)c1cc(C)sc1C 36391846 IWHAWCLGJNYOEB-UHFFFAOYSA-N 241.356 2.521 0 40 BFAB O=C(NCC1CCCCC1)c1ccccc1O 37247655 PDOZSKUJRPUUOU-UHFFFAOYSA-N 233.311 2.702 0 40 BFAB CC[C@@H](C)NCC(=O)Nc1c(C)cccc1C 37386315 JFSRFVGANPPEOO-GFCCVEGCSA-N 234.343 2.630 0 40 BFAB O=C(C[C@H]1C=CCC1)NCc1ccccc1F 39978463 BGNDYMOHHFIBBM-NSHDSACASA-N 233.286 2.798 0 40 BFAB O=C1Nc2ccccc2[C@H]1Cc1cccc(O)c1 40312972 ASRYUDWOWCSVEL-CYBMUJFWSA-N 239.274 2.671 0 40 BFAB biogenic COc1cccc(NCc2cscn2)c1 40420052 QPWZNRSHRGXARB-UHFFFAOYSA-N 220.297 2.764 0 40 BFAB OCc1sccc1OCc1ccccc1 40448088 FMDUWSQUXHNLCU-UHFFFAOYSA-N 220.293 2.819 0 40 BFAB C[C@H]1CCCC[C@@H]1N(C)C(=O)C1CCC1 40497946 MCYBJECHWLBUNT-JQWIXIFHSA-N 209.333 2.824 0 40 BFAB CCOC(=O)c1ccc(N[C@H](C)CC)c(N)c1 41079795 XHOJTCQZBRUQRO-SECBINFHSA-N 236.315 2.656 0 40 BFAB COc1cccc(C(=O)c2c(C)cccc2C)n1 45028774 ZWEOSWIXOKUSEH-UHFFFAOYSA-N 241.290 2.938 0 40 BFAB CCOC(=O)Oc1cc(N)c(Cl)cc1C 45328574 OUVLLFXUJXYMCI-UHFFFAOYSA-N 229.663 2.766 0 40 BFAB CC/C=C(\C)C(=O)N[C@@H]1CCOc2ccccc21 47667990 PHEJGVNJRUBKHC-ASJRZHAZSA-N 245.322 2.983 0 40 BFAB O[C@@H](c1ccccc1)c1ccc(Cl)nc1 59189754 XODIEOAQUIXWST-LBPRGKRZSA-N 219.671 2.817 0 40 BFAB C[C@@H](Cc1ccccc1OC(F)(F)F)C(=O)O 62711276 LZERBUUDERWDLT-ZETCQYMHSA-N 248.200 2.848 0 40 BFAB Cc1cccc(CS[C@H](C)C(=O)NC2CC2)c1 71818613 HIIQOCPNXXWMAT-LLVKDONJSA-N 249.379 2.895 0 40 BFAB CCCN1CCC[C@@H]1c1ncccc1C 72211133 DXKONNJSIGMTAO-GFCCVEGCSA-N 204.317 2.937 0 40 BFAB Nc1c(Cl)cnc(Br)c1Cl 79007131 WWTSDCDXNMZXLX-UHFFFAOYSA-N 241.903 2.733 0 40 BFAB Cc1ccc(NCC(C)(C)C(=O)O)c(C)c1 82551799 PBGLJSOTIBPIBS-UHFFFAOYSA-N 221.300 2.826 0 40 BFAB Cc1ccccc1CCCN1CC[C@H](CCO)C1 84235677 VVXXMIGEWZLUHL-OAHLLOKOSA-N 247.382 2.632 0 40 BFAB Clc1cccc2[nH]c(Br)nc12 85398989 SDGHEODVCAKCMY-UHFFFAOYSA-N 231.480 2.979 0 40 BFAB CN(C)C(=O)C[C@H]1CCCc2ccccc21 89310403 NMNCCAMQKYCFCB-GFCCVEGCSA-N 217.312 2.585 0 40 BFAB CN(C)CCC(=O)c1ccccc1C(F)(F)F 90502433 UMFKUPSJKHHHGM-UHFFFAOYSA-N 245.244 2.840 0 40 BFAB CC(C)(C)Oc1ccc(C(=O)/C=C\C(=O)O)cc1 95727005 CWAIUTNXQSHMKM-HJWRWDBZSA-N 248.278 2.687 0 40 BFAB CCCCOc1c(F)cc(CCO)cc1F 95732018 OFMWWLOMOLLOIC-UHFFFAOYSA-N 230.254 2.679 0 40 BFAB CC[C@H](N[C@@H]1C=C[C@H](CO)C1)c1ccc(C)cc1 95979780 DXYPXVFLRRIOEH-IMJJTQAJSA-N 245.366 2.973 0 40 BFAB CCCC/C=C/CNc1ccn(CCOC)n1 95981265 LYTVXJLPLHPPFI-VOTSOKGWSA-N 237.347 2.688 0 40 BFAB CCSCC[C@H](C)NC(=O)[C@@H]1CC=CCC1 96433117 QIJKUKCYBMTISV-NWDGAFQWSA-N 241.400 2.991 0 40 BFAB CCS[C@H]1CCCC[C@@H]1NCc1cc[nH]n1 96455606 RHNKSHAOZFVJKU-RYUDHWBXSA-N 239.388 2.564 0 40 BFAB COC[C@H](C)Nc1ccc(C)cc1CN(C)C 97095498 YUMHNBIDUAOGMM-LBPRGKRZSA-N 236.359 2.503 0 40 BFAB Nc1ccc2[nH]c(-c3ccc(O)cc3)nc2c1 100001779 KVQRXHJWOANHCL-UHFFFAOYSA-N 225.251 2.518 0 40 BFAB CCCCCCCCOC(=O)CCC(=O)O 114302851 CKNYEUXAXWTAPK-UHFFFAOYSA-N 230.304 2.755 0 40 BFAB O=C1C[C@H]2CCC[C@@](Br)(C1)C2 117304415 QPXRGUYAQFPXGX-APPZFPTMSA-N 217.106 2.673 0 40 BFAB CCCn1ccc(NCc2ccc(OC)cc2)n1 256051894 KYQXQZCUXNFFFU-UHFFFAOYSA-N 245.326 2.914 0 40 BFAB CN(C)[C@@H]1CCC[C@H]1Oc1ncccc1Cl 585655172 VZGWHBYQCURPCR-GHMZBOCLSA-N 240.734 2.597 0 40 BFAB COc1cccc2nc(O)c(CC3CC3)c(O)c12 685937466 WBOMLILPJIIBCA-UHFFFAOYSA-N 245.278 2.607 0 40 BFAB CP(C)(=O)c1cccc(Br)c1 1772717082 VAVCDNNDYJHWQQ-UHFFFAOYSA-N 233.045 2.697 0 40 BFAB O=C(O)/C(S)=C/c1ccc(Cl)cc1 97565 VYZXSVKKNPHGGV-YVMONPNESA-N 214.673 2.695 0 40 BFAB COc1cccc(N2C=CC(C)(C)NC2=S)c1 111331 ZVMIGZIYLQTBOU-UHFFFAOYSA-N 248.351 2.682 0 40 BFAB CN(C)CCc1c[nH]c2cc(Cl)ccc12 1604295 ISARSRVZSPZICH-UHFFFAOYSA-N 222.719 2.925 0 40 BFAB Cc1ccc(-c2noc([C@@H]3CCCO3)n2)cc1 2481053 NDCJFVXDFYVRNH-NSHDSACASA-N 230.267 2.897 0 40 BFAB CCCCOC(=O)[C@@H]1CC1(Cl)Cl 4404391 VYRWTRCVUHZCOS-LURJTMIESA-N 211.088 2.524 0 40 BFAB C/C=C\COc1ccc(NC(C)=O)cc1 4900505 STQVRIAYJCDULD-ARJAWSKDSA-N 205.257 2.600 0 40 BFAB CCOC(=O)Cc1ccc(C(C)C)cc1 5650583 LFMYKNVKLMQSJV-UHFFFAOYSA-N 206.285 2.916 0 40 BFAB Nc1ccc(-c2ccc(CC(=O)O)cc2)cc1 5757142 HYIJRTVDYSQMEJ-UHFFFAOYSA-N 227.263 2.563 0 40 BFAB Cc1ccc(CSCC(=O)O)c(C)c1 6922385 DSQDLWQFMCWZAW-UHFFFAOYSA-N 210.298 2.621 0 40 BFAB COc1ccc(NCc2ccco2)c(OC)c1 19903355 NIZDJTJOMUGTSK-UHFFFAOYSA-N 233.267 2.909 0 40 BFAB NC(=O)c1cccc(NCc2ccc(F)cc2)c1 20124786 MUJUVCOIMMGFNB-UHFFFAOYSA-N 244.269 2.537 0 40 BFAB COCCn1c(C)c(C)c2cc(C(=O)O)ccc21 21803184 BXMKYPCVOMFBEI-UHFFFAOYSA-N 247.294 2.603 0 40 BFAB in-vitro COc1ccc(-c2nc(C)sc2C(=O)O)cc1 21986891 BQLIKXZEPKDJHD-UHFFFAOYSA-N 249.291 2.825 0 40 BFAB O[C@@H](CNCc1ccsc1)c1ccccc1 22076639 IQAQEIUNTHOGDR-ZDUSSCGKSA-N 233.336 2.571 0 40 BFAB C/C=C/C1=NCCc2cc(OC)c(OC)cc21 22113443 OFYJNLHZVWYRCI-SNAWJCMRSA-N 231.295 2.625 0 40 BFAB Cc1ccccc1CNC(=O)[C@H]1CC=CCC1 32678652 KCMVJPQXWTWPGW-ZDUSSCGKSA-N 229.323 2.968 0 40 BFAB CC(=O)C[C@@H](C)COCc1ccccc1 34285854 QLZBVXVWBFBTQE-LLVKDONJSA-N 206.285 2.818 0 40 BFAB CC(C)(C)N[C@@H](CO)c1ccccc1Cl 39233498 GCUOCDSZJSGJJA-NSHDSACASA-N 227.735 2.762 0 40 BFAB CCOC(=O)[C@@H]1C[C@@H]1c1ccccc1C 39321471 DSCOQCBAVINWIM-VXGBXAGGSA-N 204.269 2.662 0 40 BFAB CCc1ccc(C(=O)N(C)Cc2ccco2)o1 40082808 STTAYJMYASPJKP-UHFFFAOYSA-N 233.267 2.707 0 40 BFAB CC(C)(C)c1cnc(CN2CCCCC2)o1 41362313 FKKQHAJPNNOOHL-UHFFFAOYSA-N 222.332 2.958 0 40 BFAB C[C@H](Nc1ccccc1C(F)(F)F)C(=O)O 43626031 WWKVBESFUCDSGW-LURJTMIESA-N 233.189 2.590 0 40 BFAB OCCCc1ccc(Cl)c(Cl)c1 44396181 SMFPSLHLQXSDGJ-UHFFFAOYSA-N 205.084 2.918 0 40 BFAB COC(=O)[C@H]1CCCCN1Cc1ccccc1C 48251545 BAEPSUXSKFEFRB-CQSZACIVSA-N 247.338 2.523 0 40 BFAB NC(=O)c1ccc(-c2ccccc2)c2cc[nH]c12 49582188 HAJGHLHGFWFBRZ-UHFFFAOYSA-N 236.274 2.934 0 40 BFAB Cc1ccc(-c2cc(CNC(C)C)[nH]n2)cc1 50479164 JJXDPSFGPWFRJR-UHFFFAOYSA-N 229.327 2.883 0 40 BFAB CCCc1nc(NCC)c2c(n1)c(C)nn2CC 57355866 AIVGUPXRWGFPMD-UHFFFAOYSA-N 247.346 2.539 0 40 BFAB CCOC(=O)c1sc(C(C)C)nc1C 58813862 MRTLEHHSTAFINK-UHFFFAOYSA-N 213.302 2.752 0 40 BFAB CCC(CC)NC(=O)NC1CCCCC1 67742762 IUVPTXVSQDISFR-UHFFFAOYSA-N 212.337 2.807 0 40 BFAB CC(C)OCCN1CC[C@@H](c2ccccc2)C1 69565883 GDUZZXKOSFZFDZ-OAHLLOKOSA-N 233.355 2.901 0 40 BFAB Clc1cc(-c2ccncc2)nc(Cl)n1 72193243 NXHWJQTVRIKAMU-UHFFFAOYSA-N 226.066 2.845 0 40 BFAB in-vitro CCCN(CCC)c1ncc(C=O)cc1C 72222237 UMWKLAWJTRJDPA-UHFFFAOYSA-N 220.316 2.829 0 40 BFAB CC(C)NC(=O)c1ccc(N)c2ccccc12 72227021 JTDMDSZIWWIZDD-UHFFFAOYSA-N 228.295 2.560 0 40 BFAB Cc1nc(C)c(CSC[C@H](C)CO)s1 74789399 MOSYHXODDJPACE-SSDOTTSWSA-N 231.386 2.622 0 40 BFAB CCC[C@@H](C(=O)c1ccccc1)N1CCCC1=O 77312732 PVRCOJVUGGZXTI-ZDUSSCGKSA-N 245.322 2.660 0 40 BFAB in-vitro CSCCCNC(=O)c1cc(C)cc(F)c1 80376709 NCPTXBZBUOBOQB-UHFFFAOYSA-N 241.331 2.617 0 40 BFAB Cc1ncc(C(=O)Nc2cccc(Cl)c2)cn1 82324466 VYKMTQFZXRMGGW-UHFFFAOYSA-N 247.685 2.691 0 40 BFAB CCN(CC)C(=O)NC[C@H](C)c1ccccc1 84770967 DMDHQBQBDXYEJS-LBPRGKRZSA-N 234.343 2.842 0 40 BFAB Cc1cccc(OCc2ccc(C=O)o2)c1 85395311 RCTBDWLEUZOFNA-UHFFFAOYSA-N 216.236 2.980 0 40 BFAB CC[C@@H](CCOC)CNC1CCCCC1 85396123 GQPJHVCNAASNAZ-LBPRGKRZSA-N 213.365 2.971 0 40 BFAB Clc1ccc(Cl)c(COC[C@@H]2CO2)c1 95096149 MQBUTVSTAJZMLI-SECBINFHSA-N 233.094 2.909 0 40 BFAB CCCCOc1c(F)cc(F)cc1CO 95739713 ZISXBNNABDIREX-UHFFFAOYSA-N 216.227 2.636 0 40 BFAB c1cc([C@@H]2CCCCN2)n(C2CCCC2)n1 96509763 FUWWIIUTJVBQFA-LBPRGKRZSA-N 219.332 2.813 0 40 BFAB NC[C@H]1CCCCN1C1CC(c2ccccc2)C1 97165799 XNDSJSRANVVEKB-HWOWSKLDSA-N 244.382 2.746 0 40 BFAB Cc1ccnc(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)c1 102062534 QJUPMGBJQLVNIJ-SRVKXCTJSA-N 230.311 2.765 0 40 BFAB O=C(Nc1ccc2sncc2c1)C1CC1 188222674 DPWRPSDRQPVVCA-UHFFFAOYSA-N 218.281 2.645 0 40 BFAB O=C(O)CC[C@H]1CC[C@@H](c2ccccc2)O1 200077284 OZFJUORCJOEQJR-NEPJUHHUSA-N 220.268 2.772 0 40 BFAB Cc1ccccc1Cc1ccc(C(=O)O)[nH]1 216589444 BBKDDXVLWCZBIJ-UHFFFAOYSA-N 215.252 2.612 0 40 BFAB N[C@@H]1CCCC[C@H]1Nc1ccccc1F 218861323 BUFAVRYHUICCTB-ZYHUDNBSSA-N 208.280 2.508 0 40 BFAB CCN(CC)c1ccc2c(=O)cc(C)oc2c1 218892306 IZOKIXKGFCITJG-UHFFFAOYSA-N 231.295 2.948 0 40 BFAB CC(=O)OC(C)(C)C(=O)c1ccc(Cl)s1 394736800 SWLGLNMAFLLONO-UHFFFAOYSA-N 246.715 2.926 0 40 BFAB CCn1cc(-c2cc(N)c3ccccc3n2)cn1 1548919211 JWFTXEVZTOZFGK-UHFFFAOYSA-N 238.294 2.700 0 40 BFAB CCN(CCO)Cc1csc2ccccc12 338972 XCEGZHHEEMCUNM-UHFFFAOYSA-N 235.352 2.716 0 40 BFAB CC(C)(C)[C@@](C)(O)c1cc(C(F)(F)F)[nH]n1 506334 GJEQRBHIXVFAFR-VIFPVBQESA-N 236.237 2.682 0 40 BFAB Clc1c(CN2CCCCC2)nc2ccccn12 1257011 CGXVAROIVPDXAX-UHFFFAOYSA-N 249.745 2.974 0 40 BFAB Cc1cnc(NC(=O)Cc2ccccc2)s1 3160947 BZGKXQSOFFPEDI-UHFFFAOYSA-N 232.308 2.633 0 40 BFAB in-vivo COC(=O)c1ccc(-c2ccc(C)cc2N)o1 4245233 OLADTQJEJKXOSD-UHFFFAOYSA-N 231.251 2.624 0 40 BFAB Cc1cccc(-n2nnc3ccccc32)c1 5419174 XVVVTMDTVHLXHH-UHFFFAOYSA-N 209.252 2.729 0 40 BFAB O=c1[nH]c(-c2ccccc2)cc2ccncc12 8617505 MHEBYJLLLNVBQJ-UHFFFAOYSA-N 222.247 2.590 0 40 BFAB COc1cccc(Oc2ncccc2C(=O)O)c1 8729650 VJHOJZXXYBPYQK-UHFFFAOYSA-N 245.234 2.581 0 40 BFAB O=C(CCn1ccnc1)Nc1ccccc1Cl 8746684 HWCCQVCWMUFITQ-UHFFFAOYSA-N 249.701 2.565 0 40 BFAB CCCc1c(C)nn(-c2ccccc2OC)c1O 9939712 CMINAWSRSBUBBE-UHFFFAOYSA-N 246.310 2.847 0 40 BFAB CCc1ccc(Nc2cc(C)ncn2)cc1N 11568596 YODKDTGQAOATSZ-UHFFFAOYSA-N 228.299 2.673 0 40 BFAB C[C@H]1CNC[C@H](C)N1c1ccc(Cl)cc1 11632666 HUVPVGIAPTYLJP-UWVGGRQHSA-N 224.735 2.527 0 40 BFAB Cc1occc1-c1nc2n(n1)C[C@@H]1C=CC=C[C@H]21 11667646 IEKXYVIWLVCFPS-JQWIXIFHSA-N 239.278 2.686 0 40 BFAB C[C@H]1C/C=C/COC(=O)CC(C)(C)CC1=O 12433147 JOOZKGKZZBYYOP-YEZKRMTDSA-N 224.300 2.501 0 40 BFAB CC[C@@H](C)NC(=O)Cc1ccc(C)c(C)c1 13682753 DYTWSRLNHQDHMH-GFCCVEGCSA-N 219.328 2.761 0 40 BFAB CC(C)=CCc1ccc2c(c1)NC(=O)C2 14506940 IGPHIAGFJYPXSK-UHFFFAOYSA-N 201.269 2.690 0 40 BFAB biogenic,in-vitro COc1ccc(OC)c(NCc2ccncc2)c1 19910418 BTXLYBNXNZMKHR-UHFFFAOYSA-N 244.294 2.711 0 40 BFAB NC(=O)c1cccc(-c2nc3ccccc3o2)c1 20154399 PJHMKFSGKGBSFS-UHFFFAOYSA-N 238.246 2.594 0 40 BFAB Fc1ccc(COCC[C@H]2CCCCN2)cc1 28522166 LWHIQALHMDDZMZ-CQSZACIVSA-N 237.318 2.875 0 40 BFAB O=C(O)c1oc2ccccc2c1Br 39208874 NACCIKKHVJKRQT-UHFFFAOYSA-N 241.040 2.894 0 40 BFAB CCC[C@@H](C)CN[C@H](CC(C)C)C(=O)O 43432825 YWROCUZPDHDFNE-GHMZBOCLSA-N 215.337 2.512 0 40 BFAB CC(=O)Cc1c(F)ccc(F)c1Cl 43502031 RUELUJRYIDNGEO-UHFFFAOYSA-N 204.603 2.750 0 40 BFAB Cc1ccnc(Oc2cccc(C(=O)O)c2)c1 43561874 ZFAXMGMYXJITGT-UHFFFAOYSA-N 229.235 2.881 0 40 BFAB CC[C@H](C)[C@H](C)NC(=O)c1cccc(OC)c1 48309523 VIGYEJISJWFCLU-QWRGUYRKSA-N 235.327 2.860 0 40 BFAB Cc1nnc([C@H](C)Sc2ccccn2)o1 59360177 KTURFAZHOGCOGA-ZETCQYMHSA-N 221.285 2.626 0 40 BFAB CN(C)C12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2 65336750 PXWWJPYCWJIXCB-ZYANWLCNSA-N 213.752 2.878 0 40 BFAB COc1ccc(/C=C/CNC(C)C)cc1 71791954 QMMOTQQLOLDKPS-SNAWJCMRSA-N 205.301 2.706 0 40 BFAB Cc1ccc(N2CCC[C@H]2c2ccccn2)nn1 72357420 YCHGLTRJSZRJGW-ZDUSSCGKSA-N 240.310 2.522 0 40 BFAB Nc1nc(-c2ccco2)c(Br)s1 73711099 XRSXYAVIMYZFET-UHFFFAOYSA-N 245.101 2.748 0 40 BFAB Cc1ccccc1[C@@H](O)CSc1nccn1C 76081913 RWBCVXIXIGTZSS-LBPRGKRZSA-N 248.351 2.554 0 40 BFAB NCc1ccccc1CCc1ccccc1 84477431 CMIOOLAUMKZWLS-UHFFFAOYSA-N 211.308 2.931 0 40 BFAB COc1cc2c(cc1C(C)C)CNCCC2 94979099 HBSNATVKXBMZFD-UHFFFAOYSA-N 219.328 2.854 0 40 BFAB Cc1nc(-c2cccc(F)c2)ccc1C(=O)O 95098405 GQCKRXMMRIHACU-UHFFFAOYSA-N 231.226 2.894 0 40 BFAB CC[C@](C)(CCO)NC(=O)c1cccc(C)c1C 97047573 HZVJCKKZTLNBNI-OAHLLOKOSA-N 249.354 2.584 0 40 BFAB CCc1[nH]nc(N[C@H]2CCCSC2)c1C 97370863 BTGTTZKFYRTNHQ-VIFPVBQESA-N 225.361 2.588 0 40 BFAB Cc1ccc(Br)cc1C1OCCO1 118518330 LJGFWRSTEUSTNL-UHFFFAOYSA-N 243.100 2.803 0 40 BFAB CC1=CCC[C@H](C)[C@@H]1CNCc1ccnn1C 133986237 ZEEUMZFHRGXAFA-GXTWGEPZSA-N 233.359 2.502 0 40 BFAB CNC(=O)CCc1ccc(Cl)c(Cl)c1 225320175 CZVZIHLEYHUKRF-UHFFFAOYSA-N 232.110 2.672 0 40 BFAB CC(C)(c1ccc(C(=O)O)cn1)C(F)(F)F 256049733 BENIBWOXMRZEKL-UHFFFAOYSA-N 233.189 2.620 0 40 BFAB Cn1nc(C2CC2)cc1NCc1ccccc1 256055251 ZXLPCIZIVOUHGP-UHFFFAOYSA-N 227.311 2.910 0 40 BFAB FC1(F)CC(COc2nccs2)C1 585651094 KFIBUJCIPGZWLU-UHFFFAOYSA-N 205.229 2.567 0 40 BFAB Fc1cccc(CNCc2ccco2)c1 268556 AFHNQIFVWMDQAM-UHFFFAOYSA-N 205.232 2.709 0 40 BFAB in-vitro COc1ccc(CSc2ncccn2)cc1 337910 RPEGHOSCPFJLGH-UHFFFAOYSA-N 232.308 2.778 0 40 BFAB CC(C)CCNC(=O)c1ccc(F)cc1 477594 AEHCDQCYHVRHSL-UHFFFAOYSA-N 209.264 2.602 0 40 BFAB O=C(c1c(Cl)cccc1Cl)n1cccn1 484128 NQTREZPYGVUPLC-UHFFFAOYSA-N 241.077 2.878 0 40 BFAB CCCC(=O)Cc1cc2ccccc2oc1=O 519369 BECPBGQTBYHGAL-UHFFFAOYSA-N 230.263 2.705 0 40 BFAB biogenic Cc1ccc(NC(=N)Nc2ccc(C)cn2)nc1 1571137 KOPWUIWVTZBGTJ-UHFFFAOYSA-N 241.298 2.552 0 40 BFAB CCCCCNC(=O)CCc1ccccc1 2085861 YOABAXQNDFFNSO-UHFFFAOYSA-N 219.328 2.926 0 40 BFAB COc1ccccc1C(=O)CN1CCCC[C@@H]1C 3306959 TXWVZQXYORSYJV-LBPRGKRZSA-N 247.338 2.752 0 40 BFAB O=C(N[C@H]1Cc2ccccc21)c1ccccc1 3848197 CFFNONNRYUKBAC-AWEZNQCLSA-N 223.275 2.714 0 40 BFAB biogenic Cc1ccccc1OCC(=O)N1CCCCCC1 5422521 UEEOCYQRTRNUOC-UHFFFAOYSA-N 247.338 2.776 0 40 BFAB C[C@@H](CO)Oc1ccc(Cl)cc1Cl 5606176 LAZNUAGYLOVVPE-LURJTMIESA-N 221.083 2.753 0 40 BFAB in-vitro Cc1ccc(N)cc1N1[C@@H](C)CC[C@@H]1C 8703838 TVSRDGMRVBBLNV-QWRGUYRKSA-N 204.317 2.954 0 40 BFAB Nc1cccc(-c2noc(-c3ccccc3)n2)c1 11920573 YJTBHNHHGLEBEA-UHFFFAOYSA-N 237.262 2.986 0 40 BFAB Cc1ccc(NC(=O)CN2CCCCCC2)cc1 13096131 PDONNNJIKKZYFS-UHFFFAOYSA-N 246.354 2.810 0 40 BFAB C[C@H]1CN(C)[C@@H](C)C[C@@H]1Nc1ccccc1 15162504 ULQYBPZNWILIFK-OBJOEFQTSA-N 218.344 2.827 0 40 BFAB CCCCOc1ccc([C@H](C)N)cc1OC 19261771 UOJAGGXLDNPFLV-JTQLQIEISA-N 223.316 2.894 0 40 BFAB in-vitro CCN(CCC(=O)O)c1ccc(C)c(Cl)c1 20133863 QDNIEZOPJIIYMC-UHFFFAOYSA-N 241.718 2.949 0 40 BFAB c1ccc2ccc(CN3CCOCC3)c-2cc1 20247314 SVEKBBIZLJGEQF-UHFFFAOYSA-N 227.307 2.624 0 40 BFAB Nc1nc2ccccc2n1-c1c(F)cccc1F 20586145 INGLEMCAPWCJLU-UHFFFAOYSA-N 245.232 2.886 0 40 BFAB in-vitro O=Cc1cnc(Cc2ccc(Cl)cc2)nc1 22124199 HFQGEGBYSZNSRW-UHFFFAOYSA-N 232.670 2.533 0 40 BFAB Nc1[nH]nc(C(F)(F)F)c1Cc1ccccc1 26511545 AHOKQIWXAYANQP-UHFFFAOYSA-N 241.216 2.602 0 40 BFAB CCOC(=O)[C@@H]1CCC[C@@H]1Nc1ccccc1 34062828 QGPNXJMZTWTKJY-OLZOCXBDSA-N 233.311 2.830 0 40 BFAB CNCc1ccc(OC2CCCC2)cc1 34657562 PZYCZJRKGIOKAE-UHFFFAOYSA-N 205.301 2.727 0 40 BFAB Cc1ccc2c(C3=CCNCC3)c[nH]c2c1 36947699 GCUXMIDTUTXWHW-UHFFFAOYSA-N 212.296 2.853 0 40 BFAB in-vitro O=C(O)c1cccnc1-c1cc(F)cc(F)c1 41265024 NWLOIMIJIXDTOQ-UHFFFAOYSA-N 235.189 2.725 0 40 BFAB CC(C)(C)NC(=O)Cn1ccc2ccccc21 48766888 QEVAHSSNBTXXJU-UHFFFAOYSA-N 230.311 2.556 0 40 BFAB FC(F)(F)c1csc([C@H]2CCCNC2)n1 53252324 IOUDERHQXUUISM-LURJTMIESA-N 236.262 2.629 0 40 BFAB in-vitro CC(=O)c1ccc(NC(=O)OC(C)(C)C)cn1 59756437 ODJIEHOBOFHMEY-UHFFFAOYSA-N 236.271 2.631 0 40 BFAB Cc1sc(-c2cccs2)nc1C(=O)O 71532229 ARIYBAZDZSGXSQ-UHFFFAOYSA-N 225.294 2.878 0 40 BFAB Cc1ccc(S[C@@H](C)C(=O)N(C)C)cc1C 72276968 XTRQBDWQJQFLEJ-NSHDSACASA-N 237.368 2.872 0 40 BFAB Cc1c[nH]nc1[C@@H]1CCCN1C1CCCC1 72356824 NLDXHQFPZZRTNN-LBPRGKRZSA-N 219.332 2.798 0 40 BFAB O=C1CCOc2ccc(OC(F)(F)F)cc21 75882192 GYSZDWIFBBPUFR-UHFFFAOYSA-N 232.157 2.550 0 40 BFAB FC(F)(F)[C@@H]1CCC[C@@H](NC2CC2)C1 82862724 VQLHTKKDZLUWDC-VXNVDRBHSA-N 207.239 2.860 0 40 BFAB FC(F)(F)COc1ccc2nc[nH]c2c1 89195158 ACSZGPSPUJUXBR-UHFFFAOYSA-N 216.162 2.504 0 40 BFAB COC(=O)c1ccc2cc(C(F)(F)F)[nH]c2c1 97758645 LSEQWDAVCLFBCJ-UHFFFAOYSA-N 243.184 2.973 0 40 BFAB O=C(O)Cn1c(C2CCC2)nc2c(F)cccc21 98213755 MRPAWBOAXNPWGA-UHFFFAOYSA-N 248.257 2.528 0 40 BFAB Cc1cc(O)n(-c2ccc(C)c(C)c2)n1 100072421 NZIOWLDKKHIQHG-UHFFFAOYSA-N 202.257 2.503 0 40 BFAB O=S1(=O)[C@H]2CC=C[C@H]1CC[C@@H]2c1ccccc1 104285129 CITXMVBBXASIOV-MJBXVCDLSA-N 248.347 2.676 0 40 BFAB CC(C)[C@@H](CF)NC(=O)OC(C)(C)C 142219595 NYIZQMGKPXMKPN-MRVPVSSYSA-N 205.273 2.505 0 40 BFAB Oc1cc(C(F)(F)F)cc2ncccc12 166307404 OACWQUAAVQUXKZ-UHFFFAOYSA-N 213.158 2.959 0 40 BFAB c1cc(C[C@H]2CCCN(C3CCCC3)C2)[nH]n1 205691732 HYPQWRFAILYTRL-GFCCVEGCSA-N 233.359 2.607 0 40 BFAB Clc1ccc2nc(Cl)sc2n1 238538333 KOZXLWYJVRDWPI-UHFFFAOYSA-N 205.069 2.998 0 40 BFAB Cc1nn(CC(C)C)cc1NCC(C)C 256051325 IRPHHPPOCZDEFT-UHFFFAOYSA-N 209.337 2.915 0 40 BFAB CCOC(=O)c1ccc(Cl)c(F)c1C 261122147 IUCBDKXVAIZCSO-UHFFFAOYSA-N 216.639 2.964 0 40 BFAB O=C(NC1CCCCC1)N1CCC[C@H](CF)C1 711502286 LZUGIAIQGSNRJN-LLVKDONJSA-N 242.338 2.710 0 40 BFAB CCc1cc(C(=O)Nc2ccc(C)cc2)ncn1 1888860478 MDSYHTOQQHTHAT-UHFFFAOYSA-N 241.294 2.600 0 40 BFAB CCC(CC)COC(=O)[C@@H]1CCCC[C@@H]1O 1697042 OPXHPQYLEJCRNK-NEPJUHHUSA-N 228.332 2.517 0 40 BFAB CCOc1ccc(CN[C@@H](C)CC)cc1 5907923 GNIRZOIMFGUMHK-NSHDSACASA-N 207.317 2.973 0 40 BFAB CC[C@@H](C)NC(=O)[C@@H](CC)Oc1ccccc1 6116328 CYVVEDPDZVYQFA-DGCLKSJQSA-N 235.327 2.759 0 40 BFAB O=[N+]([O-])/C=C/c1c(C2CC2)[nH]c2ncccc12 13997740 SXGJRXAOPIWGOJ-FNORWQNLSA-N 229.239 2.688 0 40 BFAB CN(C)CCNCc1c(Cl)cccc1Cl 19266922 HSSBUSALGVFKNV-UHFFFAOYSA-N 247.169 2.645 0 40 BFAB N=C(N)c1ccc(OC2CCCCC2)cc1 19866168 XZDIYVDZJQBSKB-UHFFFAOYSA-N 218.300 2.682 0 40 BFAB in-vitro NNc1nc2cc(C(F)(F)F)ccc2s1 20286056 WMGILRGFFUZVAS-UHFFFAOYSA-N 233.218 2.601 0 40 BFAB C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)O 21953547 YIZVVMCXQYBBIE-ZCFIWIBFSA-N 234.173 2.557 0 40 BFAB in-vitro O=C(NCC1(c2cccs2)CC1)c1ccco1 22680125 DWXMZOWUDBBJCR-UHFFFAOYSA-N 247.319 2.803 0 40 BFAB CC[C@H](C)C(=O)Nc1ccc(C(=O)OC)s1 26111488 SCIRCJLNTCZGDU-ZETCQYMHSA-N 241.312 2.519 0 40 BFAB Cc1cccc(-c2nsc(S)n2)c1 36657787 YLHVXGNPRSIQOW-UHFFFAOYSA-N 208.311 2.802 0 40 BFAB CCc1cc(C(=O)O)c(-n2cccc2)s1 38548932 POUUMIHACWUZOF-UHFFFAOYSA-N 221.281 2.799 0 40 BFAB CN(Cc1nnc(-c2ccco2)o1)C1CCCC1 40475924 NCQZGVISCSZXRJ-UHFFFAOYSA-N 247.298 2.704 0 40 BFAB CNC(=O)Nc1ccccc1SC(F)F 48343871 OKDYHANZXCJYHA-UHFFFAOYSA-N 232.255 2.753 0 40 BFAB Cc1ccc(NC(=O)N2CCSCC2)cc1 48683142 DDNSQWIXGLLJCT-UHFFFAOYSA-N 236.340 2.576 0 40 BFAB CC(C)C(=O)Nc1ccccc1Cn1ccnc1 58049605 JNDRGRLLRBTYTJ-UHFFFAOYSA-N 243.310 2.526 0 40 BFAB CC[C@H](C(=O)O[C@H]1CCOC1)c1ccccc1 71883883 LPUSOKKFKZYVIZ-STQMWFEESA-N 234.295 2.512 0 40 BFAB COc1ccccc1C[C@H](C)CC(=O)NC(C)C 71884520 UWMMYMXTALBBAH-LBPRGKRZSA-N 249.354 2.789 0 40 BFAB Fc1ccccc1-c1c[nH]nc1[C@H]1CCCN1 72187678 PIRYAWGPSCEGHQ-GFCCVEGCSA-N 231.274 2.640 0 40 BFAB O=C(O)c1[nH]c2cc(F)ccc2c1Cl 72206750 RIYQPWMDYOZUFE-UHFFFAOYSA-N 213.595 2.659 0 40 BFAB OC[C@@]1(c2ccccc2)CCCCS1 72220163 JFQPWIAQOLTFLD-GFCCVEGCSA-N 208.326 2.791 0 40 BFAB CCCOc1cc(C(=O)O)cc2occc12 72228306 XZXPEHHMDJSMSF-UHFFFAOYSA-N 220.224 2.920 0 40 BFAB CC(C)(C)Nc1nccc(C(F)(F)F)n1 74257104 QEGQCKGPGCMYBJ-UHFFFAOYSA-N 219.210 2.706 0 40 BFAB COC(=O)c1cc2c(C)cccc2s1 82046777 MXRCGMSSEDWQKY-UHFFFAOYSA-N 206.266 2.996 0 40 BFAB Cc1noc(C)c1NC(=O)c1ccccc1F 84025578 YUZOHTMXSAEDNC-UHFFFAOYSA-N 234.230 2.683 0 40 BFAB CCCCN(C)Cc1ccccc1C=O 95739697 FHUJYBMSQATNAW-UHFFFAOYSA-N 205.301 2.731 0 40 BFAB CCNC(=O)c1ccc(Oc2cccc(F)c2)o1 96183968 AESDCCRDCCLJCQ-UHFFFAOYSA-N 249.241 2.961 0 40 BFAB C1CC2(C1)[C@H](N[C@@H]1C[C@H]3CC[C@H]1C3)[C@@H]1CCO[C@H]12 108165563 PBFVGRSSDIOAFR-PKCACUDHSA-N 247.382 2.722 0 40 BFAB CCc1ccc(CN(C)Cc2ccncc2)o1 195562000 QQHNDLRGRXWWCS-UHFFFAOYSA-N 230.311 2.869 0 40 BFAB Cc1c[nH]c([C@@H]2CCCN(CC(C)(C)C)C2)n1 257228180 FSRRSSIBRQHSNG-GFCCVEGCSA-N 235.375 2.944 0 40 BFAB O=C(/C=C/c1ccco1)Nc1cccnc1Cl 27725 GAJAKAFGYIZYSZ-AATRIKPKSA-N 248.669 2.980 0 40 BFAB c1nc(N2CCCCC2)c2sccc2n1 116609 VDKVQDPVFUEUFX-UHFFFAOYSA-N 219.313 2.682 0 40 BFAB CC[C@@H]1C(=O)C(C)(C)C(=O)O[C@@H]1c1ccccc1 226609 BXCYIBCBVGYMFT-NWDGAFQWSA-N 246.306 2.906 0 40 BFAB COc1cccc(C(=O)N2CCC(C)CC2)c1 1480348 MQQFKYBZPLLBQP-UHFFFAOYSA-N 233.311 2.567 0 40 BFAB CCOC(=O)Nc1c(F)cc(F)cc1F 1706183 LRRADFWCVNHRPS-UHFFFAOYSA-N 219.162 2.672 0 40 BFAB COc1cccc(C[C@H]2CCCC(=O)C2)c1 2514128 SHLAQNMUAQEQED-LLVKDONJSA-N 218.296 2.997 0 40 BFAB CCCCN(CCCC)c1cc(F)nc(N)n1 3159694 JFRZUKUBQUSJLN-UHFFFAOYSA-N 240.326 2.605 0 40 BFAB CCCOc1ccccc1-c1cc(C(=O)O)[nH]n1 4453652 RKXBCSGXGNOFLK-UHFFFAOYSA-N 246.266 2.564 0 40 BFAB C1=[N+]2CCC[C@@H]2Cc2ccc3ccccc3c21 5572924 RKGLZZKEXCGZHN-CQSZACIVSA-N 222.311 2.990 0 40 BFAB O=C(O)[C@H](Cc1cccnc1)c1ccc(F)cc1 11570639 YUQPCFZNOCXPTD-CYBMUJFWSA-N 245.253 2.632 0 40 BFAB CCc1ccc([C@H](C(=O)O)N2CCCCC2)cc1 16872935 TYFUGOFIQZKNDT-CQSZACIVSA-N 247.338 2.861 0 40 BFAB Fc1ccc(CNC2CC2)cc1Br 19257044 VIHOYAPXQGJZKN-UHFFFAOYSA-N 244.107 2.840 0 40 BFAB Oc1ccc(CN2CCCCC2)c2cccnc12 19594807 LZFBSWZQNARANH-UHFFFAOYSA-N 242.322 2.926 0 40 BFAB CN(C)[C@@H](CN)c1ccc(C(C)(C)C)cc1 19796058 FSIBMZQSKDDKDU-ZDUSSCGKSA-N 220.360 2.546 0 40 BFAB Cc1ccc(NC(=O)c2ccc(C)nc2)cc1 23735840 ZNJLSORVAMUDDA-UHFFFAOYSA-N 226.279 2.951 0 40 BFAB CCn1ccc(NC(=O)Nc2ccccc2)n1 27929645 FLFSROJHJAROED-UHFFFAOYSA-N 230.271 2.547 0 40 BFAB CCCCCNC(=O)c1ccc(F)cc1F 28210729 CXDIYLXIWJAMDI-UHFFFAOYSA-N 227.254 2.885 0 40 BFAB C[C@@H](O)c1cccc(NC(=O)C(C)(C)C)c1 35646430 CJPFISJYOXOCSY-SECBINFHSA-N 221.300 2.725 0 40 BFAB CCN(Cc1nnsc1Cl)C1CCCC1 36303013 KUPLHNNIEWAPPX-UHFFFAOYSA-N 245.779 2.956 0 40 BFAB CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)O)c1 37402711 QMWGYGNMRYJPEV-UHFFFAOYSA-N 239.246 2.509 0 40 BFAB in-vitro CCn1cc(Nc2ncnc3ccccc23)cn1 37652416 XEOPKTCUQKHSLL-UHFFFAOYSA-N 239.282 2.590 0 40 BFAB CN(Cc1ccccc1)c1cc(Cl)ncn1 40422318 ZLYMYVJFFLAFER-UHFFFAOYSA-N 233.702 2.766 0 40 BFAB Clc1ccc(Cl)c(OCC2OCCO2)c1 41302613 LVGQDZMPHZHCRK-UHFFFAOYSA-N 249.093 2.745 0 40 BFAB c1ccc2c(c1)CCC[C@H]2[C@H]1CCCN1 54668487 FZCLJELINMIBEH-ZIAGYGMSSA-N 201.313 2.859 0 40 BFAB in-vitro CC(C)[C@@H](C)NC(=O)Cc1ccc(F)cc1 57159986 ZJMOJUFDOJWUTM-SNVBAGLBSA-N 223.291 2.529 0 40 BFAB CCc1cnc(CN2C[C@H]3CC=CC[C@H]3C2)o1 75768009 AHCDERNGUXJEHD-TXEJJXNPSA-N 232.327 2.635 0 40 BFAB N[C@H]1C[C@H]1Cc1ccc(C(F)(F)F)cc1 75772389 ZBSMXVIYDHCTBX-SCZZXKLOSA-N 215.218 2.595 0 40 BFAB in-vitro C[C@H](O)c1ccc(Br)c(F)c1 79112731 JFJHYEIFGRXLFR-YFKPBYRVSA-N 219.053 2.642 0 40 BFAB in-vitro O=C(Nc1ccccc1Cl)c1cnco1 82324367 QZEWWKDIIFDQBY-UHFFFAOYSA-N 222.631 2.580 0 40 BFAB COc1ccccc1Cc1ccc(C(=O)O)o1 84035332 UMDGLCKFAVNFLK-UHFFFAOYSA-N 232.235 2.577 0 40 BFAB O=C1[C@@H](Sc2cccs2)CCN1C1CC1 89800040 WFKKIGVKTKGITF-VIFPVBQESA-N 239.365 2.604 0 40 BFAB Cc1cccc(NCC[C@@H](O)c2ccccc2)n1 97163340 BKHUEZVLWCKEBD-CQSZACIVSA-N 242.322 2.926 0 40 BFAB CC[C@@H](C)NC(=O)N[C@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 102404163 UIDQXVYENCEMOQ-VEGXAWMVSA-N 238.375 2.909 0 40 BFAB CC(C)CCO[C@@H](C)C(=O)N1CCC[C@H](C)C1 121856421 QRGJPVQBQIJIBQ-STQMWFEESA-N 241.375 2.696 0 40 BFAB COc1ccc(C(=O)CCSC)c(C)c1 159075209 RFGMGTYNSWUUFS-UHFFFAOYSA-N 224.325 2.939 0 40 BFAB CCOC[C@H](C)OC(=O)c1ccc(F)cc1F 190794635 CZZITBJLHVYXHK-QMMMGPOBSA-N 244.237 2.547 0 40 BFAB COc1cc(CN)c(Cl)cc1OC(C)C 211089576 NHSCSRDOOMOIPY-UHFFFAOYSA-N 229.707 2.595 0 40 BFAB CC1(C)C[C@@]1(COCc1ccccc1)C(=O)O 218291155 KZHSPNPSSSATKK-CQSZACIVSA-N 234.295 2.704 0 40 BFAB CCCc1nc2c(s1)[C@H](C(C)C)NCC2 218332396 UYMQHAUHTXIDQQ-NSHDSACASA-N 224.373 2.938 0 40 BFAB Nc1cc(C(F)(F)F)cc(Cl)c1[N+](=O)[O-] 396153379 FAZQLRYUCKNLHI-UHFFFAOYSA-N 240.568 2.849 0 40 BFAB O=C(Nc1cccnc1)OC1CCCCC1 67690 NHAGYVHBUDTDHZ-UHFFFAOYSA-N 220.272 2.963 0 40 BFAB O=c1sc(-c2ccccc2)nc(O)c1Cl 527665 PKVZJZKOVPZBDV-UHFFFAOYSA-N 239.683 2.529 0 40 BFAB CC(=O)SCC(=O)Nc1ccc(Cl)cc1 1666898 NOXAPQYFPFZTJC-UHFFFAOYSA-N 243.715 2.558 0 40 BFAB Cc1c(C)n(C)c2ccc3c(ccc[n+]3C)c12 1713904 KBPYSWIXOAPVIF-UHFFFAOYSA-N 225.315 2.773 0 40 BFAB COc1ccccc1[C@H]1CCCCCN1 3734850 QUGWHACTNJAVTB-GFCCVEGCSA-N 205.301 2.900 0 40 BFAB CC(=O)OC[C@]12CO[C@H](C)[C@H](C1)C(C)=C[C@H]2C 4012223 FLTREWUZEUGCGE-HBJVGIJOSA-N 238.327 2.557 0 40 BFAB biogenic Nc1ccc2[nH]c(-c3ccccc3O)nc2c1 4126423 IRGONGJBIVBVLQ-UHFFFAOYSA-N 225.251 2.518 0 40 BFAB O=C(Nc1ccc2ccccc2c1)[C@H]1CCCO1 6342709 ZPBFVHQLSQEBGQ-CQSZACIVSA-N 241.290 2.957 0 40 BFAB Nc1ccc(-c2ccccc2)nc1Cl 11919463 RRCHULHHEYCPGY-UHFFFAOYSA-N 204.660 2.984 0 40 BFAB COCCc1ccc(-c2cnc(N)s2)cc1 12547013 ODUXDGGEOWQQSA-UHFFFAOYSA-N 234.324 2.581 0 40 BFAB NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 12736563 HLLGJXAKKIPKMP-WHFBIAKZSA-N 235.171 2.855 0 40 BFAB CC(=O)c1ccc(NC(=S)NC(C)C)cc1 13796960 DKBPGBCSZSJQQJ-UHFFFAOYSA-N 236.340 2.584 0 40 BFAB O=C(O)c1cccc2cc(C(F)(F)F)cnc12 16159948 ZBVKRLUVHQGYGA-UHFFFAOYSA-N 241.168 2.952 0 40 BFAB CCOC(=O)/C=C\Sc1ccccc1 17023499 PNBDVKSFHMUOKR-HJWRWDBZSA-N 208.282 2.856 0 40 BFAB CC(C)CCOc1ccc(C(=O)O)cc1F 20080475 NDZRYHDFFUPLTH-UHFFFAOYSA-N 226.247 2.949 0 40 BFAB COc1ccc(C)cc1[C@@H](C)NC1CC1 21969168 WJWUPLSMTLDPIM-SNVBAGLBSA-N 205.301 2.817 0 40 BFAB COc1ccc(NC(=O)CC[C@H]2CCCO2)cc1 31872744 YBIXUMCZGAOIEF-CYBMUJFWSA-N 249.310 2.593 0 40 BFAB COc1cccc2ccc(-c3cn[nH]c3)nc12 32513833 TWPLOCBFNQQVSN-UHFFFAOYSA-N 225.251 2.634 0 40 BFAB C[C@@H]1CCCN(C(=O)[C@@H]2CC=CCC2)C1 32843731 BJJIRGXHGXQQKS-VXGBXAGGSA-N 207.317 2.601 0 40 BFAB COc1c(F)c(F)cc(Br)c1F 34225022 HGGCPIZPGZOQEV-UHFFFAOYSA-N 241.006 2.875 0 40 BFAB COc1cc(C=O)cc(C(C)(C)C)c1O 34364833 KIRFITNPTAAANI-UHFFFAOYSA-N 208.257 2.511 0 40 BFAB O=C(/C=C/c1ccco1)NCCc1cccs1 36858749 IZIRCPHDBPFOBH-AATRIKPKSA-N 247.319 2.713 0 40 BFAB CCN(CC)[C@@H](CN)c1cccc(Cl)c1 38809129 GLBVFNUJUIUURU-LBPRGKRZSA-N 226.751 2.682 0 40 BFAB Brc1ccc(N2CCCCC2)cn1 44121157 CEDLKQCTSNPLGZ-UHFFFAOYSA-N 241.132 2.834 0 40 BFAB COc1ccc(C(=O)c2cnccc2C)cc1 45028986 UPAMMZHMPLVPSQ-UHFFFAOYSA-N 227.263 2.630 0 40 BFAB COc1ccccc1C(=O)c1ccc(C)nc1 45029051 JQVLYHQDSXNORD-UHFFFAOYSA-N 227.263 2.630 0 40 BFAB Cc1ccc(O[C@H](C)C(=O)N[C@H](C)C(C)C)cc1 57160050 MMPBLLSLWDBPHS-CHWSQXEVSA-N 249.354 2.923 0 40 BFAB Clc1ccc(CNc2nncs2)cc1 69965625 LPCMWMAFKKGXIX-UHFFFAOYSA-N 225.704 2.804 0 40 BFAB COc1cc(C)c([C@@H]2CCCCN2C)cn1 72218030 YSKDLSHHGZESFB-LBPRGKRZSA-N 220.316 2.555 0 40 BFAB Cc1nc(C)c(CSC[C@@H](C)CO)s1 74789396 MOSYHXODDJPACE-ZETCQYMHSA-N 231.386 2.622 0 40 BFAB Fc1ccccc1C[C@@H]1CCCCNC1 75133327 PZXFDWZDCUXQAN-NSHDSACASA-N 207.292 2.758 0 40 BFAB in-vitro CCc1ccccc1NCc1cncn1C 75877600 IVSLJOUIYHHYIX-UHFFFAOYSA-N 215.300 2.595 0 40 BFAB C[C@@H](N)C1(c2ccc(Br)cc2)CC1 82237857 XBJJHNCJZZPBIM-MRVPVSSYSA-N 240.144 2.828 0 40 BFAB CC(C)(C(=O)O)c1cccc(Cl)c1F 84483443 OKJWHHRJVVDCDQ-UHFFFAOYSA-N 216.639 2.841 0 40 BFAB in-vitro Cc1cc(C(=O)C[C@H](C)CC(=O)O)ccc1F 85652157 JTZWWZFHWWKNII-QMMMGPOBSA-N 238.258 2.818 0 40 BFAB Cc1cc(C)c2c(C(=O)O)c(F)cnc2c1 90376421 RYDSEMGTBCYQSG-UHFFFAOYSA-N 219.215 2.689 0 40 BFAB C[C@H]1CN(C[C@@H]2CCOC2)c2ccccc21 95350425 WFIJWIACJJPONH-RYUDHWBXSA-N 217.312 2.647 0 40 BFAB COC(=O)CCC(C)(C)c1ccccc1 96527975 SWBUMPIIVNKZFE-UHFFFAOYSA-N 206.285 2.917 0 40 BFAB Cc1ccoc1C(=O)O[C@H](C)Cc1cccnc1 97034383 OSMGNHDZCGNAIB-LLVKDONJSA-N 245.278 2.771 0 40 BFAB Cc1nnc(-c2ccc(C)c(-n3cccn3)c2)o1 101206484 AUGIUHYXOHLDGA-UHFFFAOYSA-N 240.266 2.539 0 40 BFAB CC(C)Nc1ncc(C(F)(F)F)cc1N 108237790 WUEYQMCYQMZBCU-UHFFFAOYSA-N 219.210 2.503 0 40 BFAB O=C(O)c1nc2cccc(Cl)c2s1 199805271 DBTNPDVFDHCVRB-UHFFFAOYSA-N 213.645 2.648 0 40 BFAB Clc1onc2c1C[C@@H]1[C@@H](C2)C1(Cl)Cl 219772268 HDKYAYCRFQZQFO-RFZPGFLSSA-N 238.501 2.847 0 40 BFAB CCc1ccc([C@H](O)c2ccc(N)cc2)cc1 226292844 ZRDCXVHSEDQIDC-HNNXBMFYSA-N 227.307 2.913 0 40 BFAB c1ccc2c(N3CCSCC3)ccnc2c1 264624041 HXBDJEBUPXTAAT-UHFFFAOYSA-N 230.336 2.788 0 40 BFAB Cc1cc(C)c(-c2nc(CC3CC3)no2)o1 267425609 LMNZIUBOBBXJKD-UHFFFAOYSA-N 218.256 2.899 0 40 BFAB CCN(CC)CCSc1nc(C)cc(C)n1 191581 MXWZJAYRBAAEHD-UHFFFAOYSA-N 239.388 2.527 0 40 BFAB Cc1ccc2c(NC(=O)C3CC3)cccc2n1 265523 PPCZPGGYTZMWAM-UHFFFAOYSA-N 226.279 2.892 0 40 BFAB CCC(CC)C(=O)Nc1ccccc1O 363840 ZHIXKMXOQAKAKN-UHFFFAOYSA-N 207.273 2.767 0 40 BFAB COc1cc(O)c(C(C)=O)c2c1C=CC(C)(C)O2 1596692 LTDSNAYFLFUPPT-UHFFFAOYSA-N 248.278 2.788 0 40 BFAB biogenic Cc1cccc(S(=O)(=O)c2ccccc2)c1 1680696 AIPARANMWZBSRC-UHFFFAOYSA-N 232.304 2.828 0 40 BFAB CCCC[C@H](CC)[C@H](O)CC(=O)OCCC 1696898 JRKICFRGZMKSPH-NWDGAFQWSA-N 230.348 2.907 0 40 BFAB CCn1c(=O)cc(Cl)c2ccccc21 2551778 VDIJYZQYMQXZBR-UHFFFAOYSA-N 207.660 2.675 0 40 BFAB CC(C)C(=O)CCCCCCC(=O)O 2579877 CUPHLIGZDNGANZ-UHFFFAOYSA-N 200.278 2.637 0 40 BFAB COc1cccc(C(=O)Nc2nc(C)cs2)c1 3562014 PAGPVSQZNPBQLP-UHFFFAOYSA-N 248.307 2.712 0 40 BFAB in-vivo Cc1ccc(-c2nc(CCN)cs2)cc1 4089313 TZGZKCXQYRXQER-UHFFFAOYSA-N 218.325 2.620 0 40 BFAB in-vitro CC(=O)c1sc2nc(=S)[nH]c(O)c2c1C 8804326 SIQXVSSQQCZZLE-UHFFFAOYSA-N 240.309 2.571 0 40 BFAB Fc1ccc(/C=C/c2n[nH]c(=S)[nH]2)cc1 12679672 PFXVFTIGERGZIQ-ZZXKWVIFSA-N 221.260 2.777 0 40 BFAB Cc1cc(=O)oc2cc(NC(=O)C(C)C)ccc12 14722410 GPSGMEQZPCNNEZ-UHFFFAOYSA-N 245.278 2.696 0 40 BFAB C[C@@H]1c2cccn2CCN1C(=O)NC1CCCC1 15783054 FPFOYBOHNPMTLN-LLVKDONJSA-N 247.342 2.517 0 40 BFAB CCCCCCC(=O)N1C[C@H](C)O[C@H](C)C1 17748250 KOIDGWWDCSYRGH-TXEJJXNPSA-N 227.348 2.593 0 40 BFAB COc1ccccc1[C@@H]1CC(O)=Nc2n[nH]cc21 20733921 GCGSUVIRUQYLIF-VIFPVBQESA-N 243.266 2.542 0 40 BFAB O=C(O)C[C@@H](c1ccccc1)N1CCCCC1 21948240 CIEWZKIVDCBVMH-ZDUSSCGKSA-N 233.311 2.688 0 40 BFAB CCn1nc(C)cc1NC(=O)C1CCCCC1 28305686 XPDXBTNUCGBQSV-UHFFFAOYSA-N 235.331 2.730 0 40 BFAB CN1C(=O)CCS[C@@H]1c1ccc(Cl)cc1 38351571 AMIDZXQBSZMUEL-LLVKDONJSA-N 241.743 2.934 0 40 BFAB O=C(O)c1ccc(Nc2ccnc(Cl)n2)cc1 40447872 POTZEQHGXWHKJU-UHFFFAOYSA-N 249.657 2.572 0 40 BFAB CC[C@@H](C)[C@@H](C)NCC1(O)CCCCC1 42555155 LMIRCVYVJBRIFY-VXGBXAGGSA-N 213.365 2.706 0 40 BFAB C[C@H]1C[C@@H](C)CN(c2cc(=S)[nH]cn2)C1 45918627 XQCQPQVSVHTAAA-DTORHVGOSA-N 223.345 2.621 0 40 BFAB C[C@H](N)c1ccccc1OC(F)(F)F 55222547 XDQINUYPIQISSS-LURJTMIESA-N 205.179 2.605 0 40 BFAB COc1ccc(-c2csc(CN)c2)cc1 70601092 NAKRBYHNIKUDJG-UHFFFAOYSA-N 219.309 2.882 0 40 BFAB in-vitro Cc1nc(S)ccc1[C@@H]1CCCCN1C 72218394 KFTFDPYVFMDQKE-NSHDSACASA-N 222.357 2.836 0 40 BFAB Cc1cc(C2=NCCC2)cnc1N1CCCC1 72218781 BAWWSFJFYSZEBL-UHFFFAOYSA-N 229.327 2.573 0 40 BFAB CC1(C)CN(C(=O)c2cc(C3CC3)on2)C1(C)C 80404570 NQCKOHBMFAZNEM-UHFFFAOYSA-N 248.326 2.813 0 40 BFAB Cc1cc(C)c(C(=O)N2C[C@@H]3CCC[C@H]3C2)[nH]1 89568584 MDVSEXXHKZAOHL-RYUDHWBXSA-N 232.327 2.504 0 40 BFAB O=C(O)[C@H]1CC=CC[C@@H]1C(=O)c1cccc(F)c1 95634405 VIZZQXYHMMOZDO-RYUDHWBXSA-N 248.253 2.675 0 40 BFAB CC(C)COc1cc([C@H](C)O)ccc1F 95739616 ROBMCDARKHHRPN-VIFPVBQESA-N 212.264 2.914 0 40 BFAB CCc1noc(C)c1C(=O)N[C@H](CC)C(C)C 95954871 NZBDPNWPQCOXEG-SNVBAGLBSA-N 238.331 2.710 0 40 BFAB c1cc(C[C@H]2NCCc3sccc32)ccn1 96526602 NGJSQAMHFYLJCY-GFCCVEGCSA-N 230.336 2.573 0 40 BFAB CCCC1CCC(N[C@@H]2C=C[C@H](CO)C2)CC1 97228299 ZYBSKUXAIFOMME-OOJKYFRXSA-N 237.387 2.872 0 40 BFAB NCc1ccc([C@@H](F)C(F)(F)F)cc1 107281412 LUCAZDUOTZDHGC-MRVPVSSYSA-N 207.170 2.718 0 40 BFAB CCCn1cc(CNCc2ccc(F)cc2)cn1 116911916 KASVBUXCNVORRL-UHFFFAOYSA-N 247.317 2.722 0 40 BFAB Cc1ccc(C[C@@H](NN)c2ccccc2)cc1 147175385 BUHWBIOWPODXDV-OAHLLOKOSA-N 226.323 2.742 0 40 BFAB Cc1ccc(C[C@@H](OC(C)C)C(=O)O)cc1C 225035469 VRKGEFYXEWYANG-CYBMUJFWSA-N 236.311 2.724 0 40 BFAB COC(=O)CCCc1nc(CC2CC2)cs1 252489194 JKAMHSWVPDUMJE-UHFFFAOYSA-N 239.340 2.591 0 40 BFAB O=C(O)c1coc(Cc2ccccc2Cl)n1 257982412 HORPESGOZZTUTK-UHFFFAOYSA-N 237.642 2.617 0 40 BFAB Cn1c2ccc(F)cc2c2ncnc(Cl)c21 408712476 PJDKBJQQFVKDCG-UHFFFAOYSA-N 235.649 2.914 0 40 BFAB CCCCOCc1ccn(C(F)F)n1 408715391 LUHRBEWZYZKOSU-UHFFFAOYSA-N 204.220 2.595 0 40 BFAB CCCn1cnc2sc3c(c2c1=O)CCCC3 914905 OEPCJWLOFJGPID-UHFFFAOYSA-N 248.351 2.747 0 40 BFAB CCOc1ccc(C(=O)N(CC)CC)cc1 1598356 BNKLTZHPOPBYQP-UHFFFAOYSA-N 221.300 2.567 0 40 BFAB CCOC(=O)c1cc(C)c2ccccc2n1 1722592 OWRUVBQJRQRQPM-UHFFFAOYSA-N 215.252 2.720 0 40 BFAB CC(=O)Nc1cc2c(cc1N)[nH]c1ccccc12 2022152 NLKSOVSAAYZWRD-UHFFFAOYSA-N 239.278 2.862 0 40 BFAB CCCSc1nc2ccccc2c(=O)n1CC 2304725 IELUJCQYYYEACK-UHFFFAOYSA-N 248.351 2.919 0 40 BFAB COc1ccc(C)cc1NC(=O)c1ccccn1 3567206 IYKBWSILUXPFGC-UHFFFAOYSA-N 242.278 2.651 0 40 BFAB CC(=O)N1c2cc3[nH]c(C)cc3cc2C[C@@H]1C 3845200 ZEKVGKOAQZKIHX-VIFPVBQESA-N 228.295 2.774 0 40 BFAB CCNC(=O)OCC12CC3CC(CC(C3)C1)C2 4258174 LWXITTNFSSJVQP-UHFFFAOYSA-N 237.343 2.949 0 40 BFAB CCC(C)(C)NC(=O)[C@H](C)Oc1ccccc1 4702937 XKJWJWAHIZDBTQ-NSHDSACASA-N 235.327 2.759 0 40 BFAB CCN(CC)C(=O)N(C)Cc1ccccc1 4838052 LAHXZAQRLRKRBA-UHFFFAOYSA-N 220.316 2.580 0 40 BFAB COC(=O)c1cc2ccc3cccnc3c2[nH]1 5141073 GEODGDMMLTYIFV-UHFFFAOYSA-N 226.235 2.503 0 40 BFAB CCN(Cc1ccccc1)C(=O)c1ccco1 5455286 WLPQXUGTUMVQEC-UHFFFAOYSA-N 229.279 2.942 0 40 BFAB O=Nc1c(-c2ccccc2)nc2cnccn12 5479115 JLTQQJBHMCYUJH-UHFFFAOYSA-N 224.223 2.794 0 40 BFAB CCCc1c(C(=O)O)cnn1-c1ccccc1C 6774738 IFAZQBJFNXWODZ-UHFFFAOYSA-N 244.294 2.831 0 40 BFAB in-vitro CCC[C@H](C)NC(=O)COc1ccccc1C 6946801 ULAXGVQOBRCNET-LBPRGKRZSA-N 235.327 2.679 0 40 BFAB Sc1nnc(-c2ccc(Cl)s2)o1 11919927 WWBZXJCBUXONMV-UHFFFAOYSA-N 218.690 2.740 0 40 BFAB Cc1cccc(C(=O)NCc2nc(C)cs2)c1 12997967 IVRUWPNDFVCLOA-UHFFFAOYSA-N 246.335 2.690 0 40 BFAB O=C(O)c1ccc(NC2CCCCC2)nc1 19844539 VIAFGZSRLFMNCC-UHFFFAOYSA-N 220.272 2.524 0 40 BFAB CC(=O)c1ccc(N2C[C@H](C)O[C@H](C)C2)cc1 19870989 BHKSEAKLXNVZNY-PHIMTYICSA-N 233.311 2.503 0 40 BFAB CC[C@@H](C)CNCc1ccc(OC)cc1 20088429 TZLCESIQXIFOIK-LLVKDONJSA-N 207.317 2.831 0 40 BFAB OC1=Nc2n[nH]cc2[C@@H](c2ccccc2)C1 20719783 LCNRMORZSYWTKS-SECBINFHSA-N 213.240 2.533 0 40 BFAB Cc1ccc(C(=O)c2cccnc2)cc1C 22121736 IVLHAEUCXVVKKE-UHFFFAOYSA-N 211.264 2.929 0 40 BFAB O=C1CCCC[C@@H]1[C@@H](O)c1ccc(F)cc1 28294565 DGXAHHNBPVFSJS-AAEUAGOBSA-N 222.259 2.618 0 40 BFAB CC(C)(C)CC(=O)Nc1ccc2c(c1)CCO2 31343567 JLPVEBXPDFDCHE-UHFFFAOYSA-N 233.311 2.996 0 40 BFAB C[C@@H](OC(=O)c1ccco1)C(=O)c1ccccc1 32603785 RULAAFFTIIBITF-SNVBAGLBSA-N 244.246 2.708 0 40 BFAB COc1ccc2c(c1)CCCN2C(=O)C1CCC1 32848570 XNKIJMCZSZIROV-UHFFFAOYSA-N 245.322 2.775 0 40 BFAB COC(=O)CCCOc1cc(C)cc(C)c1 37286745 UBYBKNCXPOYGPM-UHFFFAOYSA-N 222.284 2.635 0 40 BFAB O[C@H]1CCCC[C@@H]1Oc1cccc(F)c1 37695834 VATYMUAUAJJXOC-RYUDHWBXSA-N 210.248 2.508 0 40 BFAB O=C(Nc1ccccc1F)c1cc(C2CC2)[nH]n1 40062827 WPQGTASEWIQETP-UHFFFAOYSA-N 245.257 2.679 0 40 BFAB O=C1NCCCC[C@H]1Sc1ccc(F)cc1 40481436 YFUAHSKFBAHHGF-LLVKDONJSA-N 239.315 2.587 0 40 BFAB COc1ccc(-c2ccc(CN)s2)cc1 41232789 OYIOHAWUENUXSI-UHFFFAOYSA-N 219.309 2.882 0 40 BFAB in-vitro CCN(CC)C(=O)Nc1ccc([C@H](C)N)cc1 41639408 GTGZYJOIUCMUQC-JTQLQIEISA-N 235.331 2.580 0 40 BFAB in-vitro COc1ccc(OC)c2c1[C@@H]1CC[C@H]2[C@H](O)[C@@H]1C 44143853 PBLXHRFSCYJJPB-JLMZIUSGSA-N 248.322 2.675 0 40 BFAB NNc1nccc(-c2cccc3ccccc23)n1 58836560 CCQXSYFKKDGAOG-UHFFFAOYSA-N 236.278 2.582 0 40 BFAB CCCN[C@H]1C[C@@H](OCC)C12CCCC2 68577391 PXXQEHOZPYIFER-NWDGAFQWSA-N 211.349 2.724 0 40 BFAB in-vitro CSCCC(=O)c1sccc1C 69984318 TXBNKCAHAZRBDN-UHFFFAOYSA-N 200.328 2.992 0 40 BFAB CC(C)Oc1ncccc1[C@@H]1CCCN1C 72211944 AGMDFSUSQUEWOC-LBPRGKRZSA-N 220.316 2.636 0 40 BFAB Cc1nc(OCc2ccccc2)ccc1C=O 72224453 BOGUKDIDIQWPJR-UHFFFAOYSA-N 227.263 2.782 0 40 BFAB Cc1ccc(-c2[nH]ncc2-c2cc(C)no2)cn1 72398426 GLQLSIPKYWPXII-UHFFFAOYSA-N 240.266 2.744 0 40 BFAB CC(=O)c1c(F)ccc(Br)c1F 75844354 OZDPVCFHJISTHQ-UHFFFAOYSA-N 235.027 2.930 0 40 BFAB O=C(c1ccccc1)c1ccc(O)c(F)c1 75870754 VASXVYOEWZNYEF-UHFFFAOYSA-N 216.211 2.762 0 40 BFAB CCC(=O)N(C)[C@H]1CCCN(c2ccccc2)C1 78731670 PXJGATVGHOMLSE-AWEZNQCLSA-N 246.354 2.524 0 40 BFAB CCCCN1C(=O)[C@@H](C)CNc2ccccc21 82087113 RDWTYRUKLWCMGT-NSHDSACASA-N 232.327 2.881 0 40 BFAB O=C(O)c1cc2c(Cl)cncc2s1 82966715 LLXSBUMTRUIFAL-UHFFFAOYSA-N 213.645 2.648 0 40 BFAB in-vitro CC(C)(c1ccccc1)[C@H](O)C(F)(F)F 88613812 XZILUZJKXAMLBD-VIFPVBQESA-N 218.218 2.887 0 40 BFAB in-vitro CC[C@@H](COC)N[C@@H]1CCc2c(OC)cccc21 95968263 JVZMQVUOHVXRGZ-SMDDNHRTSA-N 249.354 2.697 0 40 BFAB C[C@H](O)CCN[C@@H]1[C@@H]2CCCC[C@@H]2C1(C)C 95971788 CPDMXRYHHQKSLE-QNWHQSFQSA-N 225.376 2.562 0 40 BFAB CCCC(CCC)N[C@@H]1C[C@@H](OCC)[C@@H]1OC 97164339 YZAUNVRPQYKWAG-MGPQQGTHSA-N 243.391 2.737 0 40 BFAB O=C(O)Cc1ccc(-c2cccc(O)c2)cc1 139174928 YWBGGXCOOCPWNN-UHFFFAOYSA-N 228.247 2.686 0 40 BFAB CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1c1ccc(N)cc1 166373771 SUYAPBUIUDTGLR-VXGBXAGGSA-N 248.326 2.649 0 40 BFAB CC[C@@H](NN)c1ccc2cc(OC)ccc2c1 199535831 JTXVHWOOZKGMGQ-CQSZACIVSA-N 230.311 2.763 0 40 BFAB Cc1cccc(N2CCN[C@H]3CCCC[C@H]32)c1 218832301 LIOWXEIBUKWRFQ-LSDHHAIUSA-N 230.355 2.716 0 40 BFAB Cc1ccc(N[C@H]2CCC[C@H]2N)c(C)c1 218878290 CHNCPNWMSQSIDT-YPMHNXCESA-N 204.317 2.595 0 40 BFAB CC(C)(C)OC(=O)N1CCC[C@](C)(F)C1 224634154 OHHLWURADNUYTK-NSHDSACASA-N 217.284 2.746 0 40 BFAB CCCCc1ccc(C[C@@H](OC)C(=O)O)cc1 225129642 SFIWIONIGAVHMG-CYBMUJFWSA-N 236.311 2.671 0 40 BFAB CC(=O)OC(C)(C)C(=O)c1ccc(C)cc1C 575358319 TYGIROVXYGLKHI-UHFFFAOYSA-N 234.295 2.828 0 40 BFAB O=C(O)C[C@H]1COc2cc3ccccc3cc21 585656410 ZJBCXJFOHGCHCO-NSHDSACASA-N 228.247 2.791 0 40 BFAB COC(=O)CCc1c[nH]c2c(C)ccc(F)c12 1857793161 WIKWUHZQHBGHDH-UHFFFAOYSA-N 235.258 2.721 0 40 BFAB CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 282033 MWEKYCICKUBFGX-ZCFIWIBFSA-N 248.109 2.507 0 40 BFAB COc1cccc(C(=O)Nc2ccccc2N)c1 365032 DBJSLKAKEHQXMU-UHFFFAOYSA-N 242.278 2.530 0 40 BFAB COc1ccc(-c2nc3ccccc3n2O)cc1 1396564 BJJILHRRSKZEQX-UHFFFAOYSA-N 240.262 2.949 0 40 BFAB Cc1cc(C)n(C(=O)c2cc3sccc3[nH]2)n1 4966877 AZNLQNPPZRNCAQ-UHFFFAOYSA-N 245.307 2.731 0 40 BFAB CC(C)[C@H](/C=C/[C@@H](C)O)CC[C@@H](C)CO 5733138 KMASBAKBQVORTA-VOCCBQJNSA-N 214.349 2.604 0 40 BFAB C[C@H]1CN1C(=O)Nc1ccc(Cl)cc1 5752069 ZJGOYMMOGQYIFU-OGUFLRPBSA-N 210.664 2.576 0 40 BFAB CC[C@H](C(=O)OCCNC(C)C)c1ccccc1 6412037 KCQNOAGRMHUYMY-AWEZNQCLSA-N 249.354 2.721 0 40 BFAB Cc1ccc(O[C@@H](C)C(=O)NC(C)(C)C)c(C)c1 8494711 PHDIBQTWGZHQGF-LBPRGKRZSA-N 249.354 2.985 0 40 BFAB Cn1cc([C@@H](CN)C(F)(F)F)c2ccccc21 8737773 ZLDOOUPSUWERFC-SNVBAGLBSA-N 242.244 2.783 0 40 BFAB C/C=C(\SC)S(=O)(=O)c1ccc(C)cc1 12341631 GACPUYIAZRTGAD-NYYWCZLTSA-N 242.365 2.993 0 40 BFAB CC(C)C(=O)NCc1nc2ccccc2s1 12853777 OXGZHAFQRSQVLF-UHFFFAOYSA-N 234.324 2.569 0 40 BFAB in-vitro O=C(NC1C2CC3CC(C2)CC1C3)c1ccoc1 13022362 NTEOZGKURNLSLG-UHFFFAOYSA-N 245.322 2.834 0 40 BFAB Cc1ccc(C)c([C@@H](N)c2ccncc2)c1 13483579 GERVVZFARQMUKS-AWEZNQCLSA-N 212.296 2.747 0 40 BFAB in-vitro O=C(O)CCCOc1ccc(F)c(Cl)c1 13609109 QMWNVTHNCYPAQN-UHFFFAOYSA-N 232.638 2.723 0 40 BFAB COc1cc2cc(C)c(S)nc2cc1OC 19200474 DPXDPMFTBVYWEH-UHFFFAOYSA-N 235.308 2.849 0 40 BFAB CCCCCNC(=O)c1ccc(Cl)cc1N 19274709 BBIGELFTKAEIBF-UHFFFAOYSA-N 240.734 2.842 0 40 BFAB CCCCNc1ccc(N2CCOCC2)cc1 20143838 YMTYPMPBXZYCSG-UHFFFAOYSA-N 234.343 2.735 0 40 BFAB in-vitro CCc1nc(-c2cccc(N)c2)cs1 26443949 ZPEOQRLWGJIMNJ-UHFFFAOYSA-N 204.298 2.955 0 40 BFAB COC(=O)/C=C\c1cccc(Br)c1 32237756 GPBINNSHRSTZQE-WAYWQWQTSA-N 241.084 2.635 0 40 BFAB CC(C)c1ccc(C2=NN=C(N)SC2)cc1 32502422 IPAWAMLYNPDHET-UHFFFAOYSA-N 233.340 2.576 0 40 BFAB COc1cc(C2(CN)CCCC2)ccc1C 34940525 PNHJENQKIVWPJP-UHFFFAOYSA-N 219.328 2.774 0 40 BFAB Cc1c(C(=O)N(C)C)sc2ccsc12 40513993 BDEHVRWUFDUDLZ-UHFFFAOYSA-N 225.338 2.973 0 40 BFAB CCOC(=O)c1ccc(-c2cccc(C)n2)o1 45028402 FMEZYWRHHVIMDN-UHFFFAOYSA-N 231.251 2.827 0 40 BFAB Cc1ccc(-c2cnc(C=O)s2)cc1 45206034 OOHGRWXWZAXZFW-UHFFFAOYSA-N 203.266 2.931 0 40 BFAB NCCCn1ccc2ccc(Cl)cc21 53529120 UWPVWTZYVCLTSJ-UHFFFAOYSA-N 208.692 2.644 0 40 BFAB CC(C)CNC(=O)Cc1cccc(Cl)c1 67788172 QSNZYIHIOKUKOO-UHFFFAOYSA-N 225.719 2.655 0 40 BFAB Cc1nc(N)ccc1[C@@H]1CCCCN1C(C)C 72218580 AOUAIZCRWOKPBQ-ZDUSSCGKSA-N 233.359 2.908 0 40 BFAB O=CN1CCCC[C@@H]1c1ccc(F)cc1 72221861 YFBYUFXSATVHKQ-GFCCVEGCSA-N 207.248 2.509 0 40 BFAB CC(C)(C)NC(=O)Nc1ccc(F)cc1F 74921602 DYBXELYCBMYPEG-UHFFFAOYSA-N 228.242 2.885 0 40 BFAB Cc1sc(CO)nc1-c1ccc(F)cc1F 78999122 HVFPECVEMXWZJU-UHFFFAOYSA-N 241.262 2.889 0 40 BFAB CCc1cc(Br)c(C=O)s1 82367859 ARYPNHCBGQLULX-UHFFFAOYSA-N 219.103 2.886 0 40 BFAB CC(C)n1ccc(CNCc2ccc(F)cc2)n1 84225553 RALDVLYEIDTFDI-UHFFFAOYSA-N 247.317 2.893 0 40 BFAB CNC(=O)[C@H](C)c1ccc2ccccc2c1 84580793 DZJZGBTVJJCRCX-SNVBAGLBSA-N 213.280 2.689 0 40 BFAB NCCOc1ccc(SC(F)(F)F)cc1 85392081 WVUJYEIOSDIACU-UHFFFAOYSA-N 237.246 2.636 0 40 BFAB Cc1coc2c1[C@@H](O)C[C@H](C(F)(F)F)C2 85399165 QHPGXOSSNIGLBJ-BQBZGAKWSA-N 220.190 2.746 0 40 BFAB O=C(OCC1CCC1)c1scnc1Cl 96442568 HFBLJAVTLMUUAS-UHFFFAOYSA-N 231.704 2.753 0 40 BFAB CCCCCN1C(=O)SC(C)(C)C1=O 97032295 YQLVMTLAZIOBDV-UHFFFAOYSA-N 215.318 2.651 0 40 BFAB Cc1ccc([C@@H](C)NCc2nnc(C(C)C)o2)o1 97373969 XMLIFJOTYLVMTM-SNVBAGLBSA-N 249.314 2.945 0 40 BFAB C[C@]12CC3CC(NC(N)=S)(C1)C[C@](C)(C3)C2 100097730 JHIOEXDHTUFGGB-CDOIKYBLSA-N 238.400 2.569 0 40 BFAB CCOC(=O)C(F)(F)c1ccc(C(C)=O)cc1 143459032 XINOEUGWELQQPM-UHFFFAOYSA-N 242.221 2.544 0 40 BFAB CCCO[C@@H](Cc1cccc(Cl)c1)C(=O)O 225060171 FEGGGTSTUBTYKF-NSHDSACASA-N 242.702 2.762 0 40 BFAB CC1(C)[C@H]2CC[C@@]1(C)[C@@](O)(c1ccccc1)[C@@H]2O 225604745 LBJOLABNGPWNAP-SJXGUFTOSA-N 246.350 2.691 0 40 BFAB Cc1cc(-c2cccc([C@@H]3CCCN3C)n2)[nH]n1 257301183 RXILUVADEOGYKW-AWEZNQCLSA-N 242.326 2.547 0 40 BFAB CC(C)=CC(=O)c1ccc2c(c1)OCO2 382697714 LVMKAPWEVAXYSA-UHFFFAOYSA-N 204.225 2.564 0 40 BFAB Nc1cc(C(F)(F)F)c2cc[nH]c2c1 498036588 NLKPJHSQJGJYAN-UHFFFAOYSA-N 200.163 2.769 0 40 BFAB O=C(c1ccoc1)N1CC[C@H](c2ccsc2)C1 675008187 HJEACWQDLLOCAX-JTQLQIEISA-N 247.319 2.971 0 40 BFAB O=C(O)c1c(-c2ccccc2)nc2sccn12 1104925 WWTNFHARVKWUOW-UHFFFAOYSA-N 244.275 2.761 0 40 BFAB C[C@@]12C=C(Br)[C@@H]1CC[C@@]2(C)C(=O)O 1314435 XVYWNXXKUFDIRD-JMOVZRAMSA-N 245.116 2.786 0 40 BFAB Clc1ccc(COn2ccnc2)c(Cl)c1 1387031 DVSRGZUBRFXYOV-UHFFFAOYSA-N 243.093 2.819 0 40 BFAB COc1cc(OC)c(C(C)=O)cc1Cl 3316851 PGJNIQOOMMZXFU-UHFFFAOYSA-N 214.648 2.560 0 40 BFAB COc1ccc(OC)c2nc3c(cc12)CCC3 4073014 YQASFYJBVKSAKX-UHFFFAOYSA-N 229.279 2.741 0 40 BFAB CSc1ccc(C(=S)N(C)C)cc1 4690346 NEDNIXACQHXORB-UHFFFAOYSA-N 211.355 2.646 0 40 BFAB COc1cccc(CNC(=O)C2CCCCC2)c1 6847973 NFJAQDWILMYMIB-UHFFFAOYSA-N 247.338 2.892 0 40 BFAB O=C(Cc1ccsc1)NCCc1ccccc1 9112887 RPLXIEVUJPANJW-UHFFFAOYSA-N 245.347 2.650 0 40 BFAB O=C1C[C@@H](c2cccc(Cl)c2)Cc2[nH]ncc21 10156788 VPYIKCALJPSVPO-VIFPVBQESA-N 246.697 2.976 0 40 BFAB COc1ccc(C)cc1[C@@H](C)NC(=O)C(C)C 12847216 SOCLSIAMGUPGKZ-LLVKDONJSA-N 235.327 2.837 0 40 BFAB Sc1nnc(-c2cccc(Cl)c2)o1 18323877 NGUFILSIVAEODZ-UHFFFAOYSA-N 212.661 2.679 0 40 BFAB CCCCNC(=O)Nc1cc(C(C)(C)C)on1 28225440 QEKWWEQSZRZFMR-UHFFFAOYSA-N 239.319 2.894 0 40 BFAB C[C@H](c1cccc(-c2cnccc2N)c1)N(C)C 32541610 XLTXNWLSYMXHHS-LLVKDONJSA-N 241.338 2.953 0 40 BFAB COc1ccc(-c2nsc(S)n2)cc1 34244520 QFBCBXIQOQPLNT-UHFFFAOYSA-N 224.310 2.502 0 40 BFAB CC[C@@H]1c2ccc(C)cc2CCN1C(C)=O 36113971 UUWRWWALTUSQSV-CQSZACIVSA-N 217.312 2.851 0 40 BFAB O=C(O)CN(c1ccccc1)C1CCCCC1 37595621 YJWINCLZPQIDAN-UHFFFAOYSA-N 233.311 2.910 0 40 BFAB NCc1cccc(C(=O)OCc2ccccc2)c1 48632368 BYBCIJRHVGNOPT-UHFFFAOYSA-N 241.290 2.502 0 40 BFAB in-vitro CCCC[C@@H]1CCC[C@@H]1NC(=O)NCC 69721577 WGMJPGNUFBEONY-MNOVXSKESA-N 212.337 2.664 0 40 BFAB COC(=O)c1cc2c(Cl)cccc2o1 85436262 IHJONRKLDGBAIE-UHFFFAOYSA-N 210.616 2.873 0 40 BFAB O=Cc1ccc(OCCF)c(Cl)c1 85502280 BKQNVQQBYQWFJI-UHFFFAOYSA-N 202.612 2.501 0 40 BFAB CCC[C@@](C)(O)c1ccc(F)c(F)c1 86336433 JYAZYTFQPUAJMC-LLVKDONJSA-N 200.228 2.972 0 40 BFAB COc1cccc([C@@H](C)Sc2cn[nH]n2)c1 89905285 JDBLUALIVJKCSC-MRVPVSSYSA-N 235.312 2.667 0 40 BFAB COC(=O)CCCC(=O)c1ccc(C)s1 95729495 PSDHFQICLUXFBB-UHFFFAOYSA-N 226.297 2.583 0 40 BFAB CC[C@H]1COC2(CCN(CC3CC3)CC2)C1 96072960 ZMFHFIMSARTLDO-GFCCVEGCSA-N 223.360 2.678 0 40 BFAB FC(F)(F)c1ccc([C@@H]2CCCCN2)nc1 97758220 KMIAJXLGWLSMGG-VIFPVBQESA-N 230.233 2.915 0 40 BFAB COc1ccc(C(C)=O)c(Cl)c1OC 107736756 XNVQNXSFTCDQPB-UHFFFAOYSA-N 214.648 2.560 0 40 BFAB CCN(CC)[C@@H](Cc1ccc(C)c(C)c1)C(=O)O 107843684 WWNQETMYFWZYRS-AWEZNQCLSA-N 249.354 2.641 0 40 BFAB O=C(c1ccsc1)N1[C@H]2C=CC[C@H]1CC2 211133889 MIJVKBYRTFUQJX-QWRGUYRKSA-N 219.309 2.681 0 40 BFAB C1CC1c1nsc(N2C3CCC2CC3)n1 537794114 YYMUWJLFYICDLZ-UHFFFAOYSA-N 221.329 2.547 0 40 BFAB COc1ccc(NC(=O)CSC)cc1Cl 149899 NNUWXGNFXXFIGA-UHFFFAOYSA-N 245.731 2.650 0 40 BFAB CN(C(=O)c1ccccc1)c1ccccc1O 1556652 CVZYKCBCFQURRE-UHFFFAOYSA-N 227.263 2.669 0 40 BFAB CN(CCO)C(c1ccccc1)c1ccccc1 1634202 GEKHSCVXJBSBJC-UHFFFAOYSA-N 241.334 2.700 0 40 BFAB CC[C@@H](C(=O)OCCNC(C)C)c1ccccc1 1710463 KCQNOAGRMHUYMY-CQSZACIVSA-N 249.354 2.721 0 40 BFAB CCCCNC(=O)N[C@H](C)c1ccccc1 1738892 AATIUZSOSDLYBV-LLVKDONJSA-N 220.316 2.847 0 40 BFAB CCCCOc1ccc(CC(=O)OC)cc1 2545430 IEPLOMKGNGXJAW-UHFFFAOYSA-N 222.284 2.581 0 40 BFAB COc1cccc(NC2=NC(C)(C)CS2)c1 3228256 BROVDVIAJHHNCE-UHFFFAOYSA-N 236.340 2.989 0 40 BFAB Cc1ccc(-c2nc(NN)sc2C)cc1 4293987 JIYGWQXRHRWRCB-UHFFFAOYSA-N 219.313 2.713 0 40 BFAB CC[C@@H](C)C(=O)Nc1cc(N)ccc1C 8703453 LYPHRRPEHSMCOG-MRVPVSSYSA-N 206.289 2.562 0 40 BFAB O=C(NCCc1ccc(Cl)cc1)c1ccoc1 12853327 VLHKOBWNZIUBKX-UHFFFAOYSA-N 249.697 2.906 0 40 BFAB Cc1cc(C(=O)NC2CCCCC2)ccc1N 20195100 SBGJPNBLQXCNHV-UHFFFAOYSA-N 232.327 2.640 0 40 BFAB CN(Cc1ccc(CN)cc1)C1CCCCC1 21951906 HUCVAHANYIMLJC-UHFFFAOYSA-N 232.371 2.910 0 40 BFAB C[C@@H](NC(=O)c1ccccn1)c1ccccc1F 26680651 OBKZAEVYJVWRRR-SNVBAGLBSA-N 244.269 2.712 0 40 BFAB O=C1Nc2c(cc3ccccc3c2Cl)C1=O 38644187 WVMGTTTWIITCGU-UHFFFAOYSA-N 231.638 2.628 0 40 BFAB O=C1NCCCC[C@@H]1Sc1ccc(F)cc1 40481438 YFUAHSKFBAHHGF-NSHDSACASA-N 239.315 2.587 0 40 BFAB O=C(O)/C=C/c1ccc(CC(F)(F)F)cc1 44563615 QPRMCDGUTFLVNP-AATRIKPKSA-N 230.185 2.889 0 40 BFAB CCC[C@H](C)Nc1ccc(N)cc1C(=O)O 58013967 LFSMKJZFWNQAOI-QMMMGPOBSA-N 222.288 2.568 0 40 BFAB Cc1cc(F)ccc1[C@H](O)c1ccoc1 68890723 DVFAXSSGLSGXPQ-GFCCVEGCSA-N 206.216 2.809 0 40 BFAB NC/C=C/c1cccc(Cl)c1Cl 69049998 OCFLUUMBRGITPQ-DUXPYHPUSA-N 202.084 2.965 0 40 BFAB NC1(c2cc(Cl)cc(Cl)c2)CC1 71508345 WVCNYXGJGILAFZ-UHFFFAOYSA-N 202.084 2.941 0 40 BFAB CC[C@H](O)[C@H]1CCCCN1C(=O)OC(C)(C)C 72208691 TZLDOZMPGLEGAW-MNOVXSKESA-N 243.347 2.547 0 40 BFAB CC[C@H](O)c1ccc(NC(C)(C)C)nc1 72225831 RHLUEXBQADLMTD-JTQLQIEISA-N 208.305 2.735 0 40 BFAB O=Cc1cc2c(-c3ccccn3)nccc2o1 74013424 OFICOJLCWJBQOC-UHFFFAOYSA-N 224.219 2.702 0 40 BFAB CCOc1c(C(=O)O)oc2ccccc12 75607060 BGFWRWXGYYRTBH-UHFFFAOYSA-N 206.197 2.530 0 40 BFAB CC1=Cn2c(nc3ccccc32)[C@@H](C)O1 76555450 RGCYLJVFUGDKMP-SECBINFHSA-N 200.241 2.946 0 40 BFAB COc1c(CNC2CC2)ccc(C)c1C 95094882 ZVQZDHHPUISLFO-UHFFFAOYSA-N 205.301 2.564 0 40 BFAB CC[C@H](SC[C@H](C)c1ccccc1)C(N)=O 96496216 XHXWFWMXSCAPCI-JQWIXIFHSA-N 237.368 2.787 0 40 BFAB O=c1ccn(Cc2ccccn2)c2ccsc12 97094997 LQGUHYBPNMBTBO-UHFFFAOYSA-N 242.303 2.506 0 40 BFAB O[C@@H]1CCC[C@H]1Nc1ccnc2ccccc12 97104640 VAGTXXWHWCUVPC-ZIAGYGMSSA-N 228.295 2.560 0 40 BFAB Cc1cnc(CN[C@H](C)c2ncc(C)s2)o1 97112415 LOMRLGCYVCBYGZ-SECBINFHSA-N 237.328 2.599 0 40 BFAB COCCC(F)(F)C(F)(F)Br 98210576 WXZHFQNEAFZBFJ-UHFFFAOYSA-N 239.006 2.646 0 40 BFAB COC(C)(OC)c1ccc(Br)cc1 137128540 OFMVBOQHPIGOIN-UHFFFAOYSA-N 245.116 2.915 0 40 BFAB CCc1nc2cc(Br)ccc2n1C 217091093 FXBCRRHZVLZTDK-UHFFFAOYSA-N 239.116 2.898 0 40 BFAB CC[C@H](C(=O)O)N(C)c1ccc(Cl)cc1C 224991825 YQFGDEYMTCVZLX-SNVBAGLBSA-N 241.718 2.948 0 40 BFAB C[C@@H](N)c1c(Cl)ncc2c1CCCC2 225811061 AHHSILFATLQPKA-SSDOTTSWSA-N 210.708 2.634 0 40 BFAB O=S1(=O)[C@@H]2C=C(Cc3ccccc3)[C@H]1CCC2 345382 FIEQUNLYMBGYDG-UONOGXRCSA-N 248.347 2.505 0 40 BFAB CNC(=O)Oc1ccccc1[C@@H]1C=CCC1 2046375 ZPZSGXXMMPWKEP-SNVBAGLBSA-N 217.268 2.838 0 40 BFAB CCCCCCC(=O)N1C[C@H](C)O[C@@H](C)C1 5217438 KOIDGWWDCSYRGH-RYUDHWBXSA-N 227.348 2.593 0 40 BFAB CC[C@H](C)COC(=O)c1ccccc1O 5924786 LCMNCRZMVCRJNZ-VIFPVBQESA-N 208.257 2.595 0 40 BFAB CCc1n[nH]c(N)c1-c1ccc(Cl)cc1 8701289 OCZUWMUQUXMFMS-UHFFFAOYSA-N 221.691 2.875 0 40 BFAB C[C@@H]1CNC[C@@H](C)N1c1cccc(Cl)c1 11632659 QMAUYBSZLQHJBV-NXEZZACHSA-N 224.735 2.527 0 40 BFAB Cc1cnc(NC(=O)CCC(C)C)s1 13001288 LEEJKQMFNCQZNX-UHFFFAOYSA-N 212.318 2.826 0 40 BFAB CCn1c(C)c(CCC(=O)O)c2ccccc21 14628884 DABVYMSYGINCDE-UHFFFAOYSA-N 231.295 2.987 0 40 BFAB in-vitro Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1 19406935 BXQBKPYNSGAUHV-UHFFFAOYSA-N 244.269 2.589 0 40 BFAB CCCOc1ccc(CC(=O)OC)cc1Cl 20134256 WFNIXKFEEUTJRC-UHFFFAOYSA-N 242.702 2.844 0 40 BFAB CSc1nc(-c2ccccc2C)n[nH]1 20195639 BEYZXYUGLVXQDA-UHFFFAOYSA-N 205.286 2.502 0 40 BFAB C[C@H]1CC(=O)c2c(-c3ccccc3)nn(C)c2C1 20572549 VJSNLIZFFQMDIF-SNVBAGLBSA-N 240.306 2.852 0 40 BFAB O=C(O)[C@H](F)c1ccccc1Br 26893744 FJJZUTPPMVPKCR-SSDOTTSWSA-N 233.036 2.544 0 40 BFAB COc1ccc(-c2ccccc2N)cc1OC 32002970 JSGCFAJCBRHKFO-UHFFFAOYSA-N 229.279 2.953 0 40 BFAB Cc1cnc2ccc(Br)cc2n1 32253946 LBSGVFYYPILNOK-UHFFFAOYSA-N 223.073 2.701 0 40 BFAB CC1CCN(C(=O)[C@@H]2CC=CCC2)CC1 32819398 SJQHXZWTTZSVSD-GFCCVEGCSA-N 207.317 2.601 0 40 BFAB NC(=O)C1(Sc2ccccc2)CCCC1 33878729 BLIITTHNXRSDLD-UHFFFAOYSA-N 221.325 2.577 0 40 BFAB C[C@@H]1C[C@@H](Sc2ncccc2Cl)C(=O)O1 40493677 PXAPMOVMHCGKJK-HTRCEHHLSA-N 243.715 2.531 0 40 BFAB O=Cc1cnc(Cc2ccc(F)cc2)s1 40996405 MRUVFQHFVJSGBU-UHFFFAOYSA-N 221.256 2.686 0 40 BFAB CC(C)[C@H](CN)c1ccc2c(c1)OCCCO2 41266477 DPCWOERXYIEZJF-LBPRGKRZSA-N 235.327 2.546 0 40 BFAB Cc1cc(C(=O)N(C)CC2CC2)c(C)s1 55519936 FOPKYDRKMYRIMK-UHFFFAOYSA-N 223.341 2.847 0 40 BFAB CN1CCn2cccc2[C@@H]1c1ccccc1 64140748 LZKLXWXFLSNCOU-AWEZNQCLSA-N 212.296 2.523 0 40 BFAB CNc1cc(C)c([C@H]2CCCCN2C)cn1 72219055 LCDOBOOQBQQVBE-GFCCVEGCSA-N 219.332 2.589 0 40 BFAB Cc1cc(N(C)Cc2ccccc2)ncc1CO 72223388 AOLLONUHVWADDN-UHFFFAOYSA-N 242.322 2.519 0 40 BFAB Nc1cnc2cc(OCC(F)(F)F)ccc2c1 72226645 MUVBPYRVVTVIQQ-UHFFFAOYSA-N 242.200 2.758 0 40 BFAB CC(C)(C)OC(=O)Nc1cn2ccccc2n1 75302352 RZQCOVJVYYLOQM-UHFFFAOYSA-N 233.271 2.681 0 40 BFAB CC(C)[C@@H]1CCCCN1CCCCCO 96409697 CYWSQEXBJCMLJV-ZDUSSCGKSA-N 213.365 2.660 0 40 BFAB COC[C@@H](C)Nc1cccc(N(C)C)c1C 97162444 XOGNYAILWRMIME-SNVBAGLBSA-N 222.332 2.508 0 40 BFAB CN(Cc1cccs1)C(=O)[C@@H]1C[C@H]2C=C[C@H]1C2 102258747 INTZNPKZEYKPME-GMXVVIOVSA-N 247.363 2.919 0 40 BFAB C/C=C/C[S@](=O)CCc1ccc(OC)cc1 190782412 GSJUXIOGVLZTMR-CWDCEQMOSA-N 238.352 2.563 0 40 BFAB C[Si](C)(C)c1cccc2ncccc12 196318873 GDKWUPQALNWMLH-UHFFFAOYSA-N 201.345 2.780 0 40 BFAB CSc1ccc(C(=O)c2ccncc2N)cc1 199712295 ZYNJTRVXRCACIN-UHFFFAOYSA-N 244.319 2.617 0 40 BFAB O[C@H]1CCc2c1ccc(F)c2Br 217904140 VNHCTVQRWNANTI-QMMMGPOBSA-N 231.064 2.568 0 40 BFAB O=C(O)[C@H]1CCCC[C@@H]1C(=O)Cc1ccccc1 218824380 DZFCVUHXRWKCJG-STQMWFEESA-N 246.306 2.689 0 40 BFAB Cc1cccc(N[C@H]2CCC[C@@H]2N)c1C 218880906 ZGIGEZMFXQNZOB-AAEUAGOBSA-N 204.317 2.595 0 40 BFAB Cc1cc(/C=C/C(=O)O)c(C)n1CC(C)C 223752800 LNUYBZPYEQZGAL-AATRIKPKSA-N 221.300 2.859 0 40 BFAB Cc1ccc(-c2ncnc(Cl)c2N)cc1 256051211 IEMNREIZIDCPFV-UHFFFAOYSA-N 219.675 2.688 0 40 BFAB c1ccc2c(c1)Cc1cc(C3CNC3)ccc1-2 1857793816 BRLAHODAEZPGBK-UHFFFAOYSA-N 221.303 2.945 0 40 BFAB Cc1ocnc1CN(C)Cc1ccccc1 1889108995 DYIUVBCLXCCWRG-UHFFFAOYSA-N 216.284 2.615 0 40 BFAB O=C(NCCc1cccs1)c1ccccc1F 100675 UQRVXFCPHVKWAS-UHFFFAOYSA-N 249.310 2.860 0 40 BFAB Cc1csc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)n1 439144 TWKOKBQQEGAVOJ-IVZWLZJFSA-N 236.340 2.826 0 40 BFAB O=Cc1sccc1NC(=O)c1ccccc1 1601592 AQMQUFPKGXLERM-UHFFFAOYSA-N 231.276 2.813 0 40 BFAB O=C(CCCCO)c1nc2ccccc2s1 1609998 XMPHDJRROPBHNX-UHFFFAOYSA-N 235.308 2.642 0 40 BFAB CCC(CC)C(=O)OCCC[C@H]1CCCO1 5498113 PZTLYOMFJTUMSV-GFCCVEGCSA-N 228.332 2.925 0 40 BFAB O=C(Nc1cccc2c1CCCC2)C1CC1 15302699 PVTZPRVQAUUGKC-UHFFFAOYSA-N 215.296 2.914 0 40 BFAB Clc1ccc2[nH]c([C@@H]3CCCN3)nc2c1 19087752 WTWLSXNDPSJKCT-VIFPVBQESA-N 221.691 2.641 0 40 BFAB in-vitro Cc1cc(C(=O)Nc2ccc(F)cc2)ccc1N 20220765 SMCVEKVNCJGSCS-UHFFFAOYSA-N 244.269 2.969 0 40 BFAB CN[C@H](C)c1cccc(Br)c1 22177929 NKTLVOQJGRVLEB-SSDOTTSWSA-N 214.106 2.730 0 40 BFAB Cc1cccc(C(=O)N2CCc3ccccc32)n1 26069914 PTBKCQPGKYEUNT-UHFFFAOYSA-N 238.290 2.593 0 40 BFAB Fc1cccc(Cl)c1COC[C@@H]1CCCN1 28521857 ASRYLIKESCOCSC-VIFPVBQESA-N 243.709 2.748 0 40 BFAB CC(C)NC(=O)[C@H](C)Sc1ccccc1 31866504 QOYRPXYONYEBTB-JTQLQIEISA-N 223.341 2.692 0 40 BFAB Nc1cccc(Br)c1OC(F)F 34754190 YHAAVVCNMXUAJQ-UHFFFAOYSA-N 238.031 2.633 0 40 BFAB Cc1cc2ncccc2nc1Br 36652415 PYGUNFREGFFNIU-UHFFFAOYSA-N 223.073 2.701 0 40 BFAB C[C@H](Nc1ccn(C)n1)c1ccccc1F 37471897 RJMVDQPPABXBPS-VIFPVBQESA-N 219.263 2.732 0 40 BFAB Oc1ccc(C(F)(F)F)nc1Br 47218619 HMOAJSVNWQZSAL-UHFFFAOYSA-N 241.994 2.569 0 40 BFAB in-vitro CC/C=C(\C)C(=O)N[C@H]1CCOc2ccccc21 47667991 PHEJGVNJRUBKHC-VKUYVZBCSA-N 245.322 2.983 0 40 BFAB CCN(CC)C(=O)c1ccc(N(C)CC)cc1 58357956 LLTUTTXTTAKSEF-UHFFFAOYSA-N 234.343 2.625 0 40 BFAB CC(C)NC(=O)[C@@H](C)SC1CCCC1 60568437 PICAXYPDBNYYBI-SECBINFHSA-N 215.362 2.575 0 40 BFAB Cc1ccc(C(=O)Nc2ccccc2O)o1 69515817 KUTZTKKWNRBUOT-UHFFFAOYSA-N 217.224 2.546 0 40 BFAB CN(C)[C@H](CO)c1cccc(Cl)c1Cl 70453283 DIUPWZABFHRIBE-SECBINFHSA-N 234.126 2.588 0 40 BFAB Cc1cc(N2CCCCCC2)ncc1[C@H](C)O 72223525 PVIMZFKUNIGMMT-LBPRGKRZSA-N 234.343 2.824 0 40 BFAB COc1ccc2cc(CN)ccc2c1C 72226992 ZYOSXQPCMQZEQW-UHFFFAOYSA-N 201.269 2.616 0 40 BFAB Cc1cc(Br)c2ncn(C)c2c1 73634219 XJIKPPDPTNDKEU-UHFFFAOYSA-N 225.089 2.644 0 40 BFAB Cc1cccc(NC(=O)[C@@H]2CCCN(C)C2)c1C 82323061 QUJXCEFJNPZIGO-CYBMUJFWSA-N 246.354 2.584 0 40 BFAB CC(C)(C)c1ccn(-c2ccc(C(=O)O)cc2)n1 85386158 TUQIGJPLYDCCOQ-UHFFFAOYSA-N 244.294 2.868 0 40 BFAB CC(=O)N1CCC[C@@H]1c1ccc(C)s1 95397281 ZBDBGAJHQXDRPR-SNVBAGLBSA-N 209.314 2.740 0 40 BFAB CCCCOc1ccc(F)cc1CCO 95731993 RPMVJDLOBMNOFJ-UHFFFAOYSA-N 212.264 2.539 0 40 BFAB Cc1cc(CSCc2ccccn2)on1 96494680 PBAKITXJCXDIJF-UHFFFAOYSA-N 220.297 2.811 0 40 BFAB CC[C@@H](C)n1ccc(NCc2cccn2C)n1 256053605 SBTQYRVDFDCZGH-LLVKDONJSA-N 232.331 2.805 0 40 BFAB CC(C)(C)OC(=O)NC1C(C)(C)C(=O)C1(C)C 261507047 DSWHLXCVLZVFFK-UHFFFAOYSA-N 241.331 2.515 0 40 BFAB C[C@H]1CCCC[C@@H]1NC(=O)c1ccco1 141616 KOISEUVREFEOEJ-UWVGGRQHSA-N 207.273 2.588 0 40 BFAB O=C(CCC1CCCCC1)Nc1nncs1 1467773 IVIVZZYPRNRXRI-UHFFFAOYSA-N 239.344 2.837 0 40 BFAB COc1ccc(C(=O)OC2CCCC2)cc1 1874308 XVHVFWLEKAAUSQ-UHFFFAOYSA-N 220.268 2.795 0 40 BFAB NNc1nnc(-c2cccs2)c2ccccc12 3885843 NVRQMGBYAQSPCG-UHFFFAOYSA-N 242.307 2.644 0 40 BFAB O=C1Nc2ccc3c(oc4ccccc43)c2C1=O 4027605 CRMKDSNAXDPFNU-UHFFFAOYSA-N 237.214 2.721 0 40 BFAB biogenic CCC[C@H](C)NCCOC(=O)c1ccccc1 5561048 CRHOFFWXPPFOCV-LBPRGKRZSA-N 235.327 2.622 0 40 BFAB CCOc1cc(CNC(C)(C)C)ccc1OC 8254327 DPDUITIZVYAZKO-UHFFFAOYSA-N 237.343 2.982 0 40 BFAB Cc1ccc(N2CCC[C@H](C)C2)c(N)c1 8702593 SCFSIFALKXHKGZ-NSHDSACASA-N 204.317 2.814 0 40 BFAB CC[C@@H]1CCCCN1CCOc1ccccc1N 8703280 KFABZCWDLZSSLT-CYBMUJFWSA-N 248.370 2.912 0 40 BFAB C[C@H]1C[C@@H]1c1ccc(/C=C2\SC(=O)NC2=O)o1 9869946 FSWLCORFLUTWKN-FQSHVDOQSA-N 249.291 2.727 0 40 BFAB C[C@@H]1OC(C)(Cc2ccccc2)O[C@@H]1C 16892731 HHUSYSVURIIUJI-QYJAPNMZSA-N 206.285 2.769 0 40 BFAB O=C(NCCSc1ccccc1)c1ccoc1 18214783 CWYOCIVICHBHOM-UHFFFAOYSA-N 247.319 2.802 0 40 BFAB C[C@H](NCc1ccc(Cl)cc1Cl)C(=O)O 19787731 SCEUSADETKMIQZ-LURJTMIESA-N 248.109 2.556 0 40 BFAB in-vitro COC[C@H](C)N[C@@H](C)c1ccccc1C 19904860 WJBOLYLDTPHQPR-RYUDHWBXSA-N 207.317 2.681 0 40 BFAB CC(C)c1ccc(C(=O)N2CCO[C@H](C)C2)cc1 32865137 XEOQHNYPAOQXQW-GFCCVEGCSA-N 247.338 2.671 0 40 BFAB C[C@@H]1Cc2ccccc2N1C(=O)C1CCC1 32975275 TZADZXHPNFTBFK-SNVBAGLBSA-N 215.296 2.764 0 40 BFAB Nc1ccc(Oc2ccccc2)c(C(=O)O)c1 37933404 KLIBGISNLZGTNT-UHFFFAOYSA-N 229.235 2.759 0 40 BFAB O=C(O)c1cc(-c2ccc(F)cc2)c[nH]1 38478320 AOEGVJNSAAVOLR-UHFFFAOYSA-N 205.188 2.519 0 40 BFAB Cc1cc(F)ccc1NC(=O)c1ccnc(F)c1 41038733 KVBQILYPWIRWPX-UHFFFAOYSA-N 248.232 2.921 0 40 BFAB COC(=O)c1ccc(Nc2ccccc2)c(N)c1 41079712 XWRIEMIJMFMCPC-UHFFFAOYSA-N 242.278 2.799 0 40 BFAB CC[C@H](C)NC(=O)C1(c2ccccc2)CC1 41510056 MGFKFDNEQCNYPM-NSHDSACASA-N 217.312 2.633 0 40 BFAB O=C(CCCc1cccs1)NCC1CC1 42652354 RKIXYIQTLYDSBQ-UHFFFAOYSA-N 223.341 2.597 0 40 BFAB Cc1cccc(C(=O)c2ccc(F)cc2)n1 45028471 CASIQBXVTYGYMW-UHFFFAOYSA-N 215.227 2.760 0 40 BFAB COc1cccc(C(=O)c2cccc(C)c2)n1 45028717 WRQNRRUXIWLRCP-UHFFFAOYSA-N 227.263 2.630 0 40 BFAB Nc1n[nH]c(C2CC2)c1-c1cccs1 52901281 ZOFGMBNPYSDUPB-UHFFFAOYSA-N 205.286 2.598 0 40 BFAB CCC(O)(CC)c1ccc(OC)cc1OC 55232463 RGVTUMJWPZKDLD-UHFFFAOYSA-N 224.300 2.711 0 40 BFAB CCC(=O)c1c(-c2ccncc2)noc1C 65336744 PDCYHJRUBHASIH-UHFFFAOYSA-N 216.240 2.638 0 40 BFAB C[C@@H]1CCCN(C(=O)c2cc(C3CC3)[nH]n2)CC1 65549023 YTGOPHAGXBSSKO-SNVBAGLBSA-N 247.342 2.549 0 40 BFAB CC(=O)N(Cc1ccco1)c1cccc(F)c1 66292600 JCTWQTOZEPITKP-UHFFFAOYSA-N 233.242 2.972 0 40 BFAB CC(=O)Nc1c(C)ccc2ncccc12 72193710 BBQBZKIJDLKBCM-UHFFFAOYSA-N 200.241 2.502 0 40 BFAB CC(=O)N1CCCC[C@H]1c1cccnc1Cl 72211532 HMEUYAXOMPKCEQ-NSHDSACASA-N 238.718 2.809 0 40 BFAB Cc1cc([C@@H](C)N)cnc1N1CCCCCC1 72222490 ZMCHZWAHHHODMN-GFCCVEGCSA-N 233.359 2.790 0 40 BFAB Cc1ccccc1-c1cnn([C@H](C)C(=O)O)c1 85395097 QEUMKDUYDSVAKM-SNVBAGLBSA-N 230.267 2.504 0 40 BFAB Cc1cccc2sc(NCCN(C)C)nc12 85436322 GPYCCUKPOJNUAS-UHFFFAOYSA-N 235.356 2.578 0 40 BFAB Cc1ccccc1CC1CN(C(=O)C2CCC2)C1 85479716 MDZYUGTXNGUPDK-UHFFFAOYSA-N 243.350 2.796 0 40 BFAB O[C@]12CCCC[C@@H]1CN(C1CCCC1)CC2 88023501 FFLLZCPRCRLSAY-OCCSQVGLSA-N 223.360 2.556 0 40 BFAB Fc1ccc(OCCC2OCCO2)cc1Cl 95734011 QLJBEBWAHFZAEU-UHFFFAOYSA-N 246.665 2.621 0 40 BFAB CC[C@H](C)OCc1cc(F)ccc1C=O 95738716 IOTKTVXMHHWRIF-VIFPVBQESA-N 210.248 2.953 0 40 BFAB Cc1nc2cccc(Br)n2c1C 95910936 RPDBWBSPQZKMDS-UHFFFAOYSA-N 225.089 2.714 0 40 BFAB c1ccc(-c2nc[nH]n2)c(OC2CCCC2)c1 95939546 ICGYNCWUDMRXMG-UHFFFAOYSA-N 229.283 2.793 0 40 BFAB OCC[C@@H]1CCCN(CCC2CCCC2)C1 96424266 RISWRNXVGFJZGC-AWEZNQCLSA-N 225.376 2.661 0 40 BFAB CC(C)n1cc(N[C@H](C)C2CCOCC2)cn1 97045682 NIVOWPZGCHUMOX-LLVKDONJSA-N 237.347 2.691 0 40 BFAB O=C(O)Cn1c(C2CCC2)nc2cccc(F)c21 98213743 BOFRZOIFRMXYAK-UHFFFAOYSA-N 248.257 2.528 0 40 BFAB CCNC(=O)[C@H](CC)Oc1cccc(Cl)c1 113951002 YPZDVVJZOHJRKU-NSHDSACASA-N 241.718 2.634 0 40 BFAB COC(=O)c1ccc2c(Cl)c[nH]c2c1 139724703 JNCDQCOYUDDOLU-UHFFFAOYSA-N 209.632 2.608 0 40 BFAB C[Si](C)(C)c1c(Cl)ccnc1Cl 196034329 RUFQKBVTVYZWMO-UHFFFAOYSA-N 220.175 2.934 0 40 BFAB CNc1ccc(C(F)(F)F)nc1Cl 196537007 ZERHZJGMGDTSFX-UHFFFAOYSA-N 210.586 2.796 0 40 BFAB CCc1cc([C@@H]2CCNC(=O)C2)ccc1Cl 199779341 XMNZPTIJSKVACG-LLVKDONJSA-N 237.730 2.896 0 40 BFAB OCc1cccn1-c1ccccc1Cl 223726744 FIGPIFMLYOBMPF-UHFFFAOYSA-N 207.660 2.623 0 40 BFAB CC(C)(C)OC(=O)CC(=O)c1ccc(F)cc1 259068434 XJYOXELYRUEXLV-UHFFFAOYSA-N 238.258 2.740 0 40 BFAB Clc1cccnc1OCc1cncs1 585655128 SVBBWBOOZOHIIU-UHFFFAOYSA-N 226.688 2.771 0 40 BFAB CCOC(=O)CCc1c[nH]c2cccc(OC)c12 1857793232 SSHKDUUYFBTLLW-UHFFFAOYSA-N 247.294 2.672 0 40 BFAB CCNC(=O)c1ccc(Cl)c(Cl)c1 29891 AAWBPQBSUNBNCO-UHFFFAOYSA-N 218.083 2.743 0 40 BFAB O=C(NCc1ccc(F)cc1)c1ccccc1 3093733 XEHCIJQQJFATFU-UHFFFAOYSA-N 229.254 2.756 0 40 BFAB COc1ccccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1C2 4699451 VNLRAFUIJPCGHP-LOWVWBTDSA-N 245.322 2.614 0 40 BFAB Cc1ccc2ncnc(N3CCCC3)c2c1 5754606 IZRJNBWAAFLODW-UHFFFAOYSA-N 213.284 2.538 0 40 BFAB Cc1ccc(C)c2c(CC(=O)O)coc12 8028742 ATXKAYOJJDUFOQ-UHFFFAOYSA-N 204.225 2.677 0 40 BFAB CCC[C@H](C)C(=O)Nc1ccc(OC)cc1N 8703573 RZPWJHCKVIQWHK-VIFPVBQESA-N 236.315 2.652 0 40 BFAB COc1cccc(NC(=O)CCc2ccco2)c1 12599395 SIEGNTXDZGAKPD-UHFFFAOYSA-N 245.278 2.860 0 40 BFAB C[C@H]1C[C@H]1C(=O)N(C)Cc1ccccc1Cl 12979438 MISYTIIRDFJOOG-GXSJLCMTSA-N 237.730 2.954 0 40 BFAB Clc1ccc(CC2=N[C@H]3C=NN=C3S2)cc1 17957967 HSXVFSOMGMLYLX-VIFPVBQESA-N 249.726 2.794 0 40 BFAB Cc1ccc(C2N3CC4(C)CN2CC(C)(C3)C4)o1 19331549 CCJBLIFRXSRIIU-UHFFFAOYSA-N 246.354 2.634 0 40 BFAB biogenic COc1ccccc1-c1noc(COC(C)C)n1 20992157 RRSGARNEPKYPFA-UHFFFAOYSA-N 248.282 2.670 0 40 BFAB COc1ccc(C(=O)O)c(Cl)c1Cl 34183589 OPUBSPQVQNPGBG-UHFFFAOYSA-N 221.039 2.700 0 40 BFAB CC(C)c1ccccc1NC(=O)CNC1CC1 37386694 BOHRKDKBCDNLRE-UHFFFAOYSA-N 232.327 2.501 0 40 BFAB C[C@@H]1N=CC(c2ccc(CCl)cc2)=N1 40434708 XNZZISWFWDLKBI-MRVPVSSYSA-N 206.676 2.645 0 40 BFAB CC[C@@H](C)NC(=O)Nc1ccccc1COC 40527956 QWCWATXDUKOYMI-SNVBAGLBSA-N 236.315 2.753 0 40 BFAB Cc1cc(O[C@@H]2CCNC2)ccc1C(C)C 42782898 JUPNYYYDGKGSFL-CYBMUJFWSA-N 219.328 2.859 0 40 BFAB in-vitro CC[C@@H]1CCCCN1Cc1ccc(CN)o1 52447499 RJCBWSJOOFTEOL-LLVKDONJSA-N 222.332 2.503 0 40 BFAB CCCCCn1cnc2cc(N)ccc21 52852297 LITKHPPCSGRJRE-UHFFFAOYSA-N 203.289 2.809 0 40 BFAB COC(=O)[C@@H](C)c1cccc(C(F)(F)F)c1 53712885 ZGNWEBJIWYNENA-ZETCQYMHSA-N 232.201 2.982 0 40 BFAB CCOc1ccccc1[C@@H]1CCC[C@H]1O 55240995 GSSOFFFAMAMRKI-CMPLNLGQSA-N 206.285 2.714 0 40 BFAB CCCC[C@H]1CCC[C@H]1NCc1ncc[nH]1 66593842 OKKWPXHQFUVSCT-NWDGAFQWSA-N 221.348 2.858 0 40 BFAB CC(C)NC(=O)c1cccnc1SC(F)F 69517305 YVQHKWRPUBCNJL-UHFFFAOYSA-N 246.282 2.535 0 40 BFAB c1cc(-c2nnc3sc(C4CC4)nn23)cs1 71288981 HIVHYTAKVFCWFA-UHFFFAOYSA-N 248.336 2.792 0 40 BFAB CC(=O)N1CCC[C@@H]1c1cnc2ccccc2c1 72219560 FWBBQYJGQHCVEZ-OAHLLOKOSA-N 240.306 2.918 0 40 BFAB CSc1ccc(N2CC[C@@H]3CCCC[C@@H]32)nn1 80972975 IJFVEPXYQQMYHC-QWRGUYRKSA-N 249.383 2.967 0 40 BFAB O=C(O)Cc1c(Cl)oc2ccc(F)cc12 85399369 CKVLENRWFOYTHR-UHFFFAOYSA-N 228.606 2.852 0 40 BFAB CN[C@@H]1c2cccc(Br)c2C[C@@H]1C 86719414 CKGXHRVZKLFNSZ-CPCISQLKSA-N 240.144 2.902 0 40 BFAB CC[C@H](NCc1noc(C)n1)c1cccs1 96013850 JUJOHRBBVVCRSU-VIFPVBQESA-N 237.328 2.680 0 40 BFAB CCCC(=O)N[C@H]1CCC[C@@H]1SCC 96450666 KSALHUBUULOPBW-UWVGGRQHSA-N 215.362 2.577 0 40 BFAB Cc1cc(C)c(NC(=O)c2ccco2)c(C)n1 97039888 NGXXMPWFNNCOKD-UHFFFAOYSA-N 230.267 2.852 0 40 BFAB CC1=C[C@@H](C)[C@@]2(CO)CO[C@H](C(C)C)[C@H]1[C@H]2C 100742725 BNAPJYMSXNSYQF-KJWHEZOQSA-N 238.371 2.868 0 40 BFAB biogenic COc1cccc2c1C1[C@H]3C4C5[C@@H]3C2[C@H]5[C@H]14 104286315 PHICXBGTDAEVRO-KHKWUMKNSA-N 210.276 2.628 0 40 BFAB Cc1ccn(-c2cc(N)cc(C(F)(F)F)c2)n1 116937155 CQCXXBSMLPMFOU-UHFFFAOYSA-N 241.216 2.782 0 40 BFAB CC(=O)c1c(C(C)C)cc(C(C)C)[nH]c1=O 225816578 BEHQKXXKEFAQMK-UHFFFAOYSA-N 221.300 2.824 0 40 BFAB CC(C)c1ncc(NC(=O)c2ccsc2)cn1 279969926 ONMMSZQAKHZMNQ-UHFFFAOYSA-N 247.323 2.914 0 40 BFAB FC1(F)CCC[C@@H](N[C@H]2CCSC2)C1 307194474 PQXNTDQVAHHIPZ-BDAKNGLRSA-N 221.316 2.659 0 40 BFAB CC[C@H](C)OCc1nn(CCF)cc1Cl 408715599 WKOJWTQKCULOBG-QMMMGPOBSA-N 234.702 2.821 0 40 BFAB CCc1ccc(NC2=NCCS2)cc1 97770 QBBBENYBSBFBAI-UHFFFAOYSA-N 206.314 2.764 0 40 BFAB O=C(C[C@H]1C=CCC1)Nc1ccccc1 1690640 XQWKOXMSAOMEBD-NSHDSACASA-N 201.269 2.981 0 40 BFAB Cc1ccc(C)c([C@@H](C(N)=O)C(C)C)c1 2046193 IPZQTAGUPUCIBQ-LBPRGKRZSA-N 205.301 2.528 0 40 BFAB CCOc1ccc(CC(C)=O)cc1OCC 2379527 NMOOATWRZFHKBL-UHFFFAOYSA-N 222.284 2.616 0 40 BFAB CCOC(=O)N[C@@H](C)CCc1ccccc1 3047766 PUPHKXUBQHWHLD-NSHDSACASA-N 221.300 2.754 0 40 BFAB Nc1ccc2nc(/C=C/c3ccco3)[nH]c2c1 4538012 VBTVSQJXJARTTR-GQCTYLIASA-N 225.251 2.909 0 40 BFAB C=Cn1ccc2c1CC(C)(C)NC2(C)C 4661881 DSMZZOYISDTZIR-UHFFFAOYSA-N 204.317 2.748 0 40 BFAB CCNc1nc(C)nc2sc(CC)cc12 5017341 RPLPMFUQBHASAK-UHFFFAOYSA-N 221.329 2.994 0 40 BFAB CC(=O)Nc1nc2cc(C)c(C)cc2s1 5152366 HDHVPVLNAAXMFN-UHFFFAOYSA-N 220.297 2.872 0 40 BFAB CC(C)N[C@@H](O)COc1cccc2ccccc12 5381517 XDPXEKYDDUVROO-HNNXBMFYSA-N 245.322 2.535 0 40 BFAB CC[C@H](C)NC(=O)CCc1ccc(OC)cc1 6120894 DVHNYHUAJALYRV-NSHDSACASA-N 235.327 2.543 0 40 BFAB CCC[C@@H](Oc1ccc(OCC)cc1)C(=O)O 8730637 CMRGEZUDFIOTRL-GFCCVEGCSA-N 238.283 2.717 0 40 BFAB Cc1cccc(NC(=O)CCc2ccco2)n1 12527718 YUKRCEFTPNILEU-UHFFFAOYSA-N 230.267 2.554 0 40 BFAB Cc1cccc(C(=O)N[C@H](C)c2cccnc2)c1 12546073 FVXLSWCXTDUJFQ-GFCCVEGCSA-N 240.306 2.881 0 40 BFAB Cc1ccc(NC(=O)[C@@H]2CC=CCC2)c(O)c1 13023071 UHELKILJHVKBMF-LLVKDONJSA-N 231.295 2.995 0 40 BFAB CCC(CC)C(=O)Nc1ccc(F)c(N)c1 19397058 KAMOYGFOFQSZDK-UHFFFAOYSA-N 224.279 2.783 0 40 BFAB Cc1cc(OCc2ccncc2)ccc1N 22168605 KHSQXRJBGPCKEP-UHFFFAOYSA-N 214.268 2.551 0 40 BFAB Cc1cccc(C(=O)NCc2sccc2C)n1 26001525 GRGBBRHNHUTFGD-UHFFFAOYSA-N 246.335 2.690 0 40 BFAB C[C@@H](NC(=O)[C@@H]1CC=CCC1)c1ccncc1 27404770 CYVWBWVMEAOWFF-DGCLKSJQSA-N 230.311 2.615 0 40 BFAB C[C@H]([C@@H](O)c1ccccc1)N1CCCCC1 34017295 CYPOTTRENVPAPL-TZMCWYRMSA-N 219.328 2.594 0 40 BFAB C[C@@H](NCc1cccnc1)c1ccccc1N 34926274 XUBSZHCJGKWUBD-LLVKDONJSA-N 227.311 2.515 0 40 BFAB c1ccc(COc2ccc3c(c2)CCNC3)cc1 39077447 NGIMVZRTBZCSPM-UHFFFAOYSA-N 239.318 2.911 0 40 BFAB CC(C)OC(=O)CSc1ccc(F)cc1 47874101 CCMWVERKLOCBFV-UHFFFAOYSA-N 228.288 2.869 0 40 BFAB CCCc1cc(C(=O)N2CCC[C@H]2C(C)C)[nH]n1 49122558 YFVLNHDGQWGXJR-ZDUSSCGKSA-N 249.358 2.623 0 40 BFAB CCc1ccc(Br)cc1C(=O)O 51943801 RJJFAACSONNSDX-UHFFFAOYSA-N 229.073 2.710 0 40 BFAB CC(C)N(Cc1ccccc1)C(=O)C1CC1 54531708 CHNOSTUZDJLJQS-UHFFFAOYSA-N 217.312 2.834 0 40 BFAB COc1ccc2oc(C)c(C(=O)N3CCC3)c2c1 58833460 YIRVTWIHEDPLEJ-UHFFFAOYSA-N 245.278 2.596 0 40 BFAB C=Cc1cnc(N2CCN(C(C)C)CC2)cc1C 72223717 HCCPYGXCTFXDPK-UHFFFAOYSA-N 245.370 2.563 0 40 BFAB Nc1ccc(Cl)c(Br)c1F 75926084 NNEAPESSFSAYBJ-UHFFFAOYSA-N 224.460 2.824 0 40 BFAB Cc1ccc2c(c1)C1(CCNCC1)C[C@@H]2N(C)C 84789577 FIJPIUOZZLFAIY-HNNXBMFYSA-N 244.382 2.623 0 40 BFAB CCOC(=O)c1cn2c3c(cccc13)CCC2 85221755 QWYWUGSDJVIVBY-UHFFFAOYSA-N 229.279 2.764 0 40 BFAB in-vitro Cn1cc(-c2ccc(N)c3ccccc23)cn1 85391009 AFRHRAFVVHFUDB-UHFFFAOYSA-N 223.279 2.823 0 40 BFAB CO[C@@H]1CCCC[C@H]1CCNCC1CC1 85396141 YXRGZCMARKYYOE-QWHCGFSZSA-N 211.349 2.581 0 40 BFAB CC(=O)Nc1nccn1Cc1ccccc1Cl 89265688 ORVCGVRCVUYUNT-UHFFFAOYSA-N 249.701 2.543 0 40 BFAB CCOC(=O)c1cnc2c(F)cccc2c1 91692641 WHWANFMWJBLPCS-UHFFFAOYSA-N 219.215 2.551 0 40 BFAB CC[C@H](O)CN[C@H](C)c1ccc(F)c(Cl)c1 96491145 YMDSVEBRNMJBOT-SCZZXKLOSA-N 245.725 2.901 0 40 BFAB CC[C@H](NCc1ncc(C)o1)c1c(C)noc1C 97111194 HLTZUDQDEFHBJE-NSHDSACASA-N 249.314 2.829 0 40 BFAB COc1cc(Br)c(F)cc1C(C)=O 168179954 YETPMPAHKIPYLS-UHFFFAOYSA-N 247.063 2.799 0 40 BFAB CCCC(=O)NC[C@H]1CCCN1c1ccccc1 206784726 LXLPQIHZVVNPIO-CQSZACIVSA-N 246.354 2.572 0 40 BFAB O=C(O)[C@H]1C[C@@H]1Cc1ccc(Cl)cc1 215944516 HALAZAZTPYNQQS-WPRPVWTQSA-N 210.660 2.603 0 40 BFAB Brc1ccc2c(c1)[C@@H]1C[C@@H]1CN2 225812177 FBLPILAEIROBHI-HTRCEHHLSA-N 224.101 2.978 0 40 BFAB CC1(C)CCC[C@@]2(C)[C@@H](CO)[C@@](C)(O)CC[C@H]12 245377539 MLWFPIRGSGERCY-GBOPCIDUSA-N 240.387 2.972 0 40 BFAB COC(=O)c1cc(Cl)ccc1C(=O)C(C)C 309187730 KRGWAOWSEIXSMF-UHFFFAOYSA-N 240.686 2.965 0 40 BFAB CCN(CC)c1ccc(C(=O)C(F)F)cc1 309197308 UOUCSEHXPGGILX-UHFFFAOYSA-N 227.254 2.981 0 40 BFAB O=C(CC1CCCCC1)N1C[C@H]2C[C@H]1CS2 575606229 FDNDPMWRXKGUKW-NWDGAFQWSA-N 239.384 2.673 0 40 BFAB Cc1csc(C)[n+]1CCc1ccccc1 1668336 KCWSYELGMQEZGI-UHFFFAOYSA-N 218.345 2.895 0 40 BFAB CC(C)CCOc1ccc(CCO)cc1 1695494 AWGBFRSYZISKQM-UHFFFAOYSA-N 208.301 2.646 0 40 BFAB CCOCCOC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C 1719039 DQVVDRPUOJAUTM-VXGBXAGGSA-N 240.343 2.805 0 40 BFAB CCC[C@H]1O[C@@H](CCOC)OC[C@H]1CC 4727121 IRUGBMFSJMQEGN-UTUOFQBUSA-N 216.321 2.591 0 40 BFAB COC(=O)c1cccc2c1-c1ccccc1[C@H]2O 5080649 HBTLXUQQRYOZDV-CQSZACIVSA-N 240.258 2.535 0 40 BFAB CC(C)[C@H](/C=C\[C@@H](C)O)CC[C@@H](C)CO 5733143 KMASBAKBQVORTA-ICEHCVKZSA-N 214.349 2.604 0 40 BFAB COc1cc(CCC2CCNCC2)cc(OC)c1 12505110 DYXVLIVBXMBLDU-UHFFFAOYSA-N 249.354 2.636 0 40 BFAB C[C@@H](NC(=O)N1CC1(C)C)c1ccccc1 17379542 JNTDAWSGAYPTEI-INHVJJQHSA-N 218.300 2.551 0 40 BFAB CCn1cc(COc2ccc(N)cc2F)c(C)n1 20352196 WLHFSVBNPCWFIB-UHFFFAOYSA-N 249.289 2.512 0 40 BFAB COc1ccc(/C=C/C(=O)O)cc1OC(C)C 20526860 SOZPWWCFVIIATQ-FNORWQNLSA-N 236.267 2.580 0 40 BFAB Cc1ccc(CCC(=O)Nc2cc(C)on2)cc1 21001709 FMYFCIDMASVXEX-UHFFFAOYSA-N 244.294 2.863 0 40 BFAB CC1(C)CCC[C@@]2(C)C=C(C(=O)O)[C@@H](O)C[C@@H]12 31169640 LQZXAHKUYJVAAR-MJVIPROJSA-N 238.327 2.595 0 40 BFAB biogenic,in-vitro CCCCN1CCc2cc(C=O)ccc21 34776449 VWFUZSFVSZMSNV-UHFFFAOYSA-N 203.285 2.662 0 40 BFAB Cn1cc(C=O)c(-c2ccccc2Cl)n1 36894415 RIASWQQOKKVJJH-UHFFFAOYSA-N 220.659 2.553 0 40 BFAB in-vitro N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl 37381626 UDMYMDZSOYJSPZ-IONNQARKSA-N 202.084 2.808 0 40 BFAB Cc1cccc([C@@H](CN)N2CCC(C)CC2)c1 38827628 WGZCZGXGPLENLO-OAHLLOKOSA-N 232.371 2.727 0 40 BFAB NC[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 40953137 JBDVVLCWMKDZLY-APPZFPTMSA-N 215.218 2.768 0 40 BFAB CN[C@H]1CCCC[C@@H]1N(C)Cc1ccccc1 43816431 QUQVXIHJGYMLCS-GJZGRUSLSA-N 232.371 2.649 0 40 BFAB CC(C)Oc1cccc(CNC(=O)C2CC2)c1 46655845 OJWVIAAAQOVCCK-UHFFFAOYSA-N 233.311 2.500 0 40 BFAB CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(C)cc1 46705553 DPLXOJGMBOSQFK-IGVUGNCQSA-N 242.322 2.817 0 40 BFAB NC[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F 54561808 YYFVHSZMKLORPR-APPZFPTMSA-N 231.217 2.647 0 40 BFAB CC1(C)NCC[C@H]1c1cc(F)c(F)c(F)c1 62720791 XCVSQNDIERIBSB-QMMMGPOBSA-N 229.245 2.959 0 40 BFAB CC(C)(C)C(=O)N[C@H]1CCCc2occc21 69452444 IGHSWHVUTTVQJY-JTQLQIEISA-N 221.300 2.819 0 40 BFAB CCc1noc(COc2ccccc2Cl)n1 69486400 RMRYMCIVJBDAHE-UHFFFAOYSA-N 238.674 2.864 0 40 BFAB CCCCN1CCC[C@H]1c1cccnc1N 72212424 OCWQFDWGLZRYQD-LBPRGKRZSA-N 219.332 2.601 0 40 BFAB CC(C)COc1ccc2ncc(N)cc2c1 72226633 KQAKZUUXRYRRSK-UHFFFAOYSA-N 216.284 2.852 0 40 BFAB CCCN(CC(=O)O)c1ccc(C)c(Cl)c1 76624189 FHXMOUABJBJBGV-UHFFFAOYSA-N 241.718 2.949 0 40 BFAB Cc1cccc(-c2noc(C)c2C(=O)O)c1C 78703157 YDKGHPFMHAUOTG-UHFFFAOYSA-N 231.251 2.965 0 40 BFAB C1CC[C@H]2[C@@H](C1)CCN2c1nc(C2CC2)no1 89818728 NPCVOFCJMBTDJU-ONGXEEELSA-N 233.315 2.716 0 40 BFAB CCCCOc1cc(CCO)ccc1C 95732099 PIFHFVTVZFIKPK-UHFFFAOYSA-N 208.301 2.709 0 40 BFAB CCOC(=O)[C@H]1CCC[C@@H]1Nc1ccccc1 95919673 QGPNXJMZTWTKJY-STQMWFEESA-N 233.311 2.830 0 40 BFAB Cc1cnc([C@@H](NCC2CC2)C2CC2)s1 95961938 JRAKZOIFTKEVOW-NSHDSACASA-N 222.357 2.902 0 40 BFAB CCCCn1c(CCC(=O)O)nc2ccccc21 98128254 XWVNNWFAXCWXRY-UHFFFAOYSA-N 246.310 2.854 0 40 BFAB CC1(C)C[C@@H](O)[C@]23CC[C@@H](O)[C@@](C)(CC[C@H]12)C3 100646943 BWXJQHJHGMZLBT-FPVZYODXSA-N 238.371 2.725 0 40 BFAB NN[C@@H]1C[C@@H](c2ccccc2)Oc2ccccc21 198837239 SEIVILKLJUTCRY-HIFRSBDPSA-N 240.306 2.715 0 40 BFAB CC(C)c1ccc(C(=O)[C@H]2C[C@H]2C(=O)O)cc1 217816570 VTGISCKYQUJNDI-NWDGAFQWSA-N 232.279 2.713 0 40 BFAB N[C@@H]1CCCC[C@H]1Nc1ccc(F)c(F)c1 218867331 RFOVCRVTQMVCNT-VXGBXAGGSA-N 226.270 2.647 0 40 BFAB CCCCCNC(=O)c1c(F)cccc1F 6050954 PDEDQDMFVMFXIF-UHFFFAOYSA-N 227.254 2.885 0 40 BFAB Fc1ccc(-c2nnc(S)s2)cc1 6883653 JHXBRYXSTQWYGA-UHFFFAOYSA-N 212.274 2.633 0 40 BFAB Cc1cc(C)c2c(c1)[C@H](N)CC(C)(C)O2 11848954 STEQSLQHZSDMOO-LLVKDONJSA-N 205.301 2.864 0 40 BFAB Cc1ccc(C)c([C@H](N)c2ccncc2)c1 13483581 GERVVZFARQMUKS-CQSZACIVSA-N 212.296 2.747 0 40 BFAB in-vitro CCC[C@H](C)NC(=O)COc1ccc(F)cc1 19935074 WTDFZQASTLHIEU-JTQLQIEISA-N 239.290 2.509 0 40 BFAB CCOc1ccc([C@@H](N)C(F)(F)F)cc1 19967516 JYVFWICHKIJYQB-SECBINFHSA-N 219.206 2.647 0 40 BFAB C[C@H](NC(=O)NC1CC1)c1cccc(Cl)c1 26518587 LELKLSHGRGHYHE-QMMMGPOBSA-N 238.718 2.863 0 40 BFAB CC[C@H]1CC[C@H](C)N(COC(=S)S)C1 31923266 WKFBJZPCQAURFP-IUCAKERBSA-N 233.402 2.686 0 40 BFAB O=C(NC[C@@H]1CCCc2ccccc21)C1CC1 36392414 RUSGJNYDTLQUFU-ZDUSSCGKSA-N 229.323 2.633 0 40 BFAB CC(C)(C)NC(=O)CCOc1ccccc1F 42137322 OUMODRWKULIQAZ-UHFFFAOYSA-N 239.290 2.509 0 40 BFAB CC(C)=CCN(C)Cc1ccc2c(c1)OCCO2 49967754 PMFAEBGKPXMZKR-UHFFFAOYSA-N 247.338 2.856 0 40 BFAB FC(F)(F)c1ccc2c(c1)nc1n2CCOC1 59202380 KCFCYLBMIQVEEQ-UHFFFAOYSA-N 242.200 2.585 0 40 BFAB Cc1nc(Nc2ccccc2)ccc1C=O 72224345 IVAANHLYZYMCOT-UHFFFAOYSA-N 212.252 2.946 0 40 BFAB C1=C[C@H](N2CCC[C@H](c3ccn[nH]3)C2)CCC1 72273381 XNLAIEAWDUVTBS-STQMWFEESA-N 231.343 2.698 0 40 BFAB O[C@@H](c1ccccc1)c1cc(Cl)ccn1 89228897 BSIUZWWCCXSCRB-LBPRGKRZSA-N 219.671 2.817 0 40 BFAB Nc1snc2ccc(Br)cc12 95830818 CLXQOXFKRPNAJF-UHFFFAOYSA-N 229.102 2.641 0 40 BFAB COC(=O)c1oc(CN[C@H](C)C(C)C)cc1C 95986380 GXZKRYCNCYQKDK-SNVBAGLBSA-N 239.315 2.509 0 40 BFAB COC(=O)c1ccc(CC2CCCCC2)n1C 143835045 UJDZZAFXBWHSEL-UHFFFAOYSA-N 235.327 2.935 0 40 BFAB CC[C@@H](O)c1ccc(C(F)(F)F)cn1 159283544 KCJFLSAFBXHFQY-MRVPVSSYSA-N 205.179 2.544 0 40 BFAB CC(=O)c1ncccc1NC(=O)OC(C)(C)C 199831634 FVIVWZJAJZDYSZ-UHFFFAOYSA-N 236.271 2.631 0 40 BFAB COc1cc(Cl)c(OC(C)C)c(C=O)c1 213775317 QELRYZBPQBTOIQ-UHFFFAOYSA-N 228.675 2.948 0 40 BFAB CCC[C@H](C)NC(=S)Nc1ccc(C)cn1 225384336 RHXHRLUDEOGWET-JTQLQIEISA-N 237.372 2.865 0 40 BFAB CC(C)n1ncc2c1N[C@@H]1CCC[C@@H]1C2 225813498 IXRCEJNAXWHWRH-MWLCHTKSSA-N 205.305 2.601 0 40 BFAB COC(=O)c1ccc(C(=O)C2CCCC2)cc1 258168623 YUBVDMAVMSKWTI-UHFFFAOYSA-N 232.279 2.846 0 40 BFAB COc1cc2c(cc1C)-c1[nH]c(=N)sc1CC2 408723671 ZMTQXCQUIQVAAN-UHFFFAOYSA-N 246.335 2.638 0 40 BFAB COc1ccc2nc(C(C)C)ccc2c1N 575423926 UGBCOOOXICHEHV-UHFFFAOYSA-N 216.284 2.949 0 40 BFAB S=C(Cc1ccccc1)N1CCSCC1 1775969062 VUGDZZJKLXIKGS-UHFFFAOYSA-N 237.393 2.605 0 40 BFAB CCc1cc(C(=O)Nc2cccc(C)c2)ncn1 1888860528 VFKCOVATQLTBKC-UHFFFAOYSA-N 241.294 2.600 0 40 BFAB COC(=O)c1cc(-c2cccc(Cl)c2)no1 266337 RAZJWIZQRWIYSJ-UHFFFAOYSA-N 237.642 2.782 0 40 BFAB CCCOC(=O)c1ccc(OCC)cc1 1586512 UBFURIBAHZENPU-UHFFFAOYSA-N 208.257 2.652 0 40 BFAB COc1ccc(CP(=O)(OC)OC)cc1 2524679 YDCCGNUMBCREJC-UHFFFAOYSA-N 230.200 2.681 0 40 BFAB CC(=O)c1sc(=N)n(-c2ccccc2)c1C 5336618 LHRCXENJKFXMBB-UHFFFAOYSA-N 232.308 2.529 0 40 BFAB CCCNC(=O)[C@H](CC)Oc1ccccc1F 8050238 FVOVKAQEIHVYQJ-NSHDSACASA-N 239.290 2.509 0 40 BFAB O=C1N[C@H](c2ccsc2)Nc2ccccc21 9605206 PGLBWNFBCAERDG-LLVKDONJSA-N 230.292 2.602 0 40 BFAB CC(C)(C)c1cc(NC(=O)c2ccccn2)no1 27925273 CVANTGYJJFILSM-UHFFFAOYSA-N 245.282 2.619 0 40 BFAB Cc1ncc2ncccc2c1Br 40169789 OSXKPXRIFYUDBV-UHFFFAOYSA-N 223.073 2.701 0 40 BFAB CSc1nc2nccc(-c3ccccc3)n2n1 40375952 OEOCUBHJSDDMEO-UHFFFAOYSA-N 242.307 2.513 0 40 BFAB COC(=O)c1cc(N)ccc1NCCC(C)C 41080861 OEVYKHWIAATHOI-UHFFFAOYSA-N 236.315 2.513 0 40 BFAB CC(C)c1cc(Cl)ccc1OC1CNC1 42769633 DTXCVLHGBNCPOH-UHFFFAOYSA-N 225.719 2.814 0 40 BFAB Cc1cc([C@H]2CCCN2CC(C)C)no1 45003918 RPFZCOKYCUGTEO-GFCCVEGCSA-N 208.305 2.776 0 40 BFAB F[C@H](C(F)(F)F)C(F)(F)Br 63146303 UBSZSCBAJXCXOO-SFOWXEAESA-N 230.933 2.875 0 40 BFAB COc1ccc(-c2cnccc2C(=O)O)cc1C 65347814 GBWWVLWYNAYNFG-UHFFFAOYSA-N 243.262 2.764 0 40 BFAB Cc1noc([C@H](C)N(C)Cc2ccccc2F)n1 65575541 SHPLCCVWEODASN-VIFPVBQESA-N 249.289 2.710 0 40 BFAB COc1ccccc1[C@H]1CC[C@H](C)CN1 70632592 ZUBBWBJBJRJFEF-CMPLNLGQSA-N 205.301 2.756 0 40 BFAB in-vitro CCCCn1cc(-c2nccc(Cl)n2)cn1 72226228 MMDPNDRYJWFXHE-UHFFFAOYSA-N 236.706 2.794 0 40 BFAB Cc1cc(Br)cc(C)c1CO 75629656 YAQVYVOMFYNESZ-UHFFFAOYSA-N 215.090 2.558 0 40 BFAB in-vitro CCCCC(=O)N[C@H]1CCC[C@@H]1SCC 79000985 HZLDLDHVDWJODZ-QWRGUYRKSA-N 229.389 2.967 0 40 BFAB CCN(C)C(=O)NC[C@H](C)Cc1cccs1 84760748 MNQRQTXUELGVOF-SNVBAGLBSA-N 240.372 2.588 0 40 BFAB COC(=O)c1ccc(C(=O)c2ccccc2C)o1 85394288 ASEQVKLVACIMNT-UHFFFAOYSA-N 244.246 2.606 0 40 BFAB CC(C)c1nsc(NC2CC=CC2)n1 89893714 DKLLNKXSFKJHTD-UHFFFAOYSA-N 209.318 2.792 0 40 BFAB Nc1ccc(C(F)(F)F)c(C(F)(F)F)n1 91252199 OUHNLZRUVBDNMV-UHFFFAOYSA-N 230.111 2.701 0 40 BFAB CCc1cccc(N(C#N)C[C@H]2CCOC2)c1 95965172 WRMKHMJWINYBHO-CYBMUJFWSA-N 230.311 2.573 0 40 BFAB Cc1noc(NCc2cccc3cccnc23)n1 95976664 LZQBHJXYTGTPKU-UHFFFAOYSA-N 240.266 2.538 0 40 BFAB O=C(O)C1[C@H]2c3cccc4cccc(c34)[C@H]12 100503095 QSNDUDCESDFEPC-RYUDHWBXSA-N 210.232 2.735 0 40 BFAB O=C(Cc1ccccc1F)N[C@H]1C[C@H]2CC[C@H]1C2 101457130 LNVLCHAPFHZPGA-JKOKRWQUSA-N 247.313 2.673 0 40 BFAB C[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]2C=C[C@H]1C2 102250401 IBMOGUWIKOQARO-VOAKCMCISA-N 219.328 2.600 0 40 BFAB Fc1n[nH]c2ccc(Br)c(F)c12 145937087 ITDOUSAYMOJTKE-UHFFFAOYSA-N 233.015 2.604 0 40 BFAB COc1cccc2c1CCC[C@@]2(O)C(F)(F)F 222005124 XGBSBGZZAIWNOB-NSHDSACASA-N 246.228 2.781 0 40 BFAB CCOC(=O)c1cc2[nH]c(C)nc2cc1Cl 225728626 BMIFYRPUXUQQNI-UHFFFAOYSA-N 238.674 2.701 0 40 BFAB CC(=O)N1c2ccc(Cl)cc2[C@@H]2O[C@@H]2[C@@H]1C 242548025 KZLDEALJKUALKL-GHGOGRRBSA-N 237.686 2.535 0 40 BFAB CCn1cc(C)c(NCc2cccc(OC)c2)n1 256051947 LFPFSOVELTZVGK-UHFFFAOYSA-N 245.326 2.832 0 40 BFAB CC(=O)Oc1ccc(C(=O)C(F)(F)Cl)cc1 309493344 BNUVNRMSHIHEET-UHFFFAOYSA-N 248.612 2.626 0 40 BFAB Cc1ccc(N[C@@H]2COC(C)(C)C2)c(C)n1 335655770 HATZPWSSEYQBHT-NSHDSACASA-N 220.316 2.678 0 40 BFAB O=C(c1cccc(F)c1)N1CCC(F)(F)CC1 684520278 RGWXBRKQGZAZKV-UHFFFAOYSA-N 243.228 2.697 0 40 BFAB C[S@](=N)(=O)Cc1cccc(Br)c1 1565504769 DZVVVKTZIDINMP-LBPRGKRZSA-N 248.145 2.626 0 40 BFAB O=C(O)c1ccc(N2CCCCCC2)cc1 139627 SBOQUUYPWQTHCF-UHFFFAOYSA-N 219.284 2.765 0 40 BFAB in-vitro Cc1ccc(OCC(=O)n2nc(C)cc2C)cc1 210804 XKNHJFNUEUVAJJ-UHFFFAOYSA-N 244.294 2.528 0 40 BFAB CC1=C[C@H](C)C2(COC(C)OC2)[C@@H](C)C1 517783 BAYLCXARJZNKOL-ZSVAQUKISA-N 210.317 2.988 0 40 BFAB biogenic CCCCNC(C)(C)[C@@H](O)c1ccccc1 2045831 SITFELSBPZELDY-ZDUSSCGKSA-N 221.344 2.888 0 40 BFAB COc1cc(C)c(NC(=O)C2CCC2)cc1OC 5616838 SFFQKBDHQJUPCQ-UHFFFAOYSA-N 249.310 2.751 0 40 BFAB CCCN1C(=O)S/C(=C/c2ccoc2)C1=O 6879213 YSSPZBIPRLYPBI-RMKNXTFCSA-N 237.280 2.726 0 40 BFAB Cc1cc(NC(=O)C2CCCCC2)nc(C)n1 8301457 MROVYLIQBZOAIJ-UHFFFAOYSA-N 233.315 2.612 0 40 BFAB Cc1ccc2c(c1)S[C@H](C(=O)NC(C)C)C2 12875564 HVIPHORZVMRVED-LBPRGKRZSA-N 235.352 2.536 0 40 BFAB c1cnc(N[C@H]2CCc3ccccc32)nc1 12981293 KVTNCSWPXHVLLC-LBPRGKRZSA-N 211.268 2.576 0 40 BFAB CC(C)(C)[C@@H]1CCCC[C@H]1NCCCO 20187811 DLNQVQMDNGVXLU-VXGBXAGGSA-N 213.365 2.563 0 40 BFAB CC(C)c1noc(COc2ccccc2C=O)n1 22120750 PLUWUJMQORNXMV-UHFFFAOYSA-N 246.266 2.585 0 40 BFAB Nc1[nH]nc(C(F)(F)F)c1-c1ccccc1F 26511536 PPFSWWHVJAUHRW-UHFFFAOYSA-N 245.179 2.817 0 40 BFAB CC(C)(C)C(=O)O[C@H](N)/C=C\c1ccccc1 31872296 PDQVZGAHPRRODS-PRDAAYKISA-N 233.311 2.574 0 40 BFAB CCC(C)(C)NC(=O)c1cccc(NC(C)=O)c1 32666447 RNVHSQLCVCIDIE-UHFFFAOYSA-N 248.326 2.563 0 40 BFAB C[C@H]1c2ccsc2CCN1C(=O)C1CCC1 32781396 PMIDBNBLBJBTGV-VIFPVBQESA-N 235.352 2.994 0 40 BFAB CN(C)c1c(Cl)cc(N)cc1Cl 34155880 SUYCJTSQLIWSKO-UHFFFAOYSA-N 205.088 2.642 0 40 BFAB CC(C)CC(=O)N1CCC[C@@H]1c1ccncc1 36397749 VCYFPBFWKFLFPZ-CYBMUJFWSA-N 232.327 2.791 0 40 BFAB c1ccc([C@H](CNCC2CC2)N2CCCC2)cc1 36882420 FPZDJIWNYWDAKI-INIZCTEOSA-N 244.382 2.823 0 40 BFAB COCCNc1ccc(Cl)cc1F 42237763 IXIIAGCKMUFVHQ-UHFFFAOYSA-N 203.644 2.537 0 40 BFAB CC(C)(C)OC(=O)c1ccc(N)cc1Cl 42289845 LLOXEUOQRNPJJK-UHFFFAOYSA-N 227.691 2.878 0 40 BFAB FC(F)(F)c1nc(-c2cccnc2Cl)no1 43828200 PRBWYBRXXRCGDO-UHFFFAOYSA-N 249.579 2.804 0 40 BFAB O=C(Nc1ccccc1O)c1cc(Cl)c[nH]1 44891941 IBAFXALESRATJU-UHFFFAOYSA-N 236.658 2.626 0 40 BFAB Nc1nc(-c2ccc(Br)cc2)co1 50266309 ZHTSSIRJJMSYHO-UHFFFAOYSA-N 239.072 2.686 0 40 BFAB C[C@H](C1CC1)N(C)C(=O)[C@@H]1CC=CCC1 58313140 HVHNZKUDCBNHIA-ZYHUDNBSSA-N 207.317 2.600 0 40 BFAB Cc1ccc(Cl)c2c(C(=O)O)cc(O)nc12 62152257 NIBZKUDSLCXTDE-UHFFFAOYSA-N 237.642 2.600 0 40 BFAB CC[C@@H](C)C(=O)N1CCC[C@@H](C(F)(F)F)C1 65491048 HAEVUMVRGZSTNO-RKDXNWHRSA-N 237.265 2.833 0 40 BFAB CCc1ccccc1[C@@H](O)c1ccoc1 68979258 UIPDSRZAXQIBGA-ZDUSSCGKSA-N 202.253 2.924 0 40 BFAB CC[C@@H](C)CN(C)C(=O)c1ccc2c(c1)OCO2 71894193 ZWJZRMRMRWWGKS-SNVBAGLBSA-N 249.310 2.533 0 40 BFAB CCCNc1cc(C)c([C@@H](O)CC)cn1 72223210 DCSOBPLFTFJKCV-NSHDSACASA-N 208.305 2.655 0 40 BFAB CCCC(=O)N1CCC[C@@H](Nc2ccccc2)C1 89949363 OVNFRTNHSNUWSR-CQSZACIVSA-N 246.354 2.890 0 40 BFAB CCCN1CCCN([C@H]2C=CCCC2)CC1 89959066 ZGTSLKNCZWPVFF-AWEZNQCLSA-N 222.376 2.513 0 40 BFAB CCc1ocnc1C(=O)N1CCCCCCC1 95399630 SLLZWEPAUQJGHF-UHFFFAOYSA-N 236.315 2.643 0 40 BFAB Cc1ccc(F)cc1[C@H](O)c1cccn1C 95727820 XNBJLQJFZSPPPE-ZDUSSCGKSA-N 219.259 2.554 0 40 BFAB CCCN(C(=O)Nc1cc(C)ccn1)C1CC1 96010654 CGNQZXAKJAWJAU-UHFFFAOYSA-N 233.315 2.796 0 40 BFAB NC[C@@H]1CCCCN1CCCCc1ccccc1 96523581 XJXMXXWJCGYXHD-INIZCTEOSA-N 246.398 2.823 0 40 BFAB CC1(C)[C@H]2[C@H](O)C[C@]3(C)CCC[C@@]2(C[C@H]1O)C3 104310429 XUAASKRYNOBPBG-MYYUVRNCSA-N 238.371 2.725 0 40 BFAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NCc1cccnc1 104693764 VHTBZDHLUMLMDC-FPMFFAJLSA-N 244.338 2.524 0 40 BFAB CCN1CCC[C@H](CNC[C@H]2CC=CCC2)C1 120519252 QHASYNVYRJRCPZ-LSDHHAIUSA-N 236.403 2.664 0 40 BFAB CC(C)(C)C(=O)NCc1c(F)cccc1F 143456021 OZNSNGPAZVSGPJ-UHFFFAOYSA-N 227.254 2.627 0 40 BFAB CCCCCCS[C@@H]1CCN(C)C1=O 185624551 BAFFKIKVARWYHG-SNVBAGLBSA-N 215.362 2.531 0 40 BFAB CCN1[C@@H](C(C)C)c2cc[nH]c2C[C@H]1C 260825951 WRQVWPDZJOZRFL-MFKMUULPSA-N 206.333 2.978 0 40 BFAB Cc1cn(-c2ccc(N)cc2F)nc1C(F)F 575441586 YXGXFRLSDNTUHD-UHFFFAOYSA-N 241.216 2.840 0 40 BFAB O=[S@]12=Nc3c(ccnc3Cl)[C@@H]1CCC2 1503350645 XLUXPCPMSYMZTL-WJWGPLDTSA-N 228.704 2.683 0 40 BFAB COCCCC1(C(=O)OC(C)(C)C)CC1 1857794530 VQPHFMPUARNFNS-UHFFFAOYSA-N 214.305 2.535 0 40 BFAB COc1ccccc1C(=S)N1CCCCC1 193224 ZAGJGXGBOJSVGE-UHFFFAOYSA-N 235.352 2.857 0 40 BFAB biogenic O=C1CCCCN1CCc1c[nH]c2ccccc12 343829 MHDIVKHYLSDJNX-UHFFFAOYSA-N 242.322 2.723 0 40 BFAB COc1ccc(Cc2ccc(C(=O)O)cc2)cc1 1556261 QPHDHXRUYLOULG-UHFFFAOYSA-N 242.274 2.984 0 40 BFAB Cc1c[n+]2ccccc2n1Cc1ccccc1 1609530 UKQKQLRDIDHBSX-UHFFFAOYSA-N 223.299 2.584 0 40 BFAB CCC(CC)(CO)[C@H](O)c1ccccc1 1697034 PGIQMCOLYCTABQ-GFCCVEGCSA-N 208.301 2.519 0 40 BFAB Cc1cc(/C=C/C(=O)O)c(C)n1Cc1ccco1 2650736 WXNXIYIXQNHJHO-AATRIKPKSA-N 245.278 2.844 0 40 BFAB Cc1cc(C=O)ccc1N1CCCCC1 4245504 PFELXGCZCNQNEM-UHFFFAOYSA-N 203.285 2.798 0 40 BFAB CCc1nccn1C(=S)Nc1ccccc1 6160410 WBQKCXYMHHSIKS-UHFFFAOYSA-N 231.324 2.691 0 40 BFAB S=C(S)Nc1cccc(Cl)c1 6534896 SISPFDRHYJKTEK-UHFFFAOYSA-N 203.719 2.967 0 40 BFAB Cc1cc(C(=O)Nc2ccccc2C)on1 7007782 FSVBSMUTRKVKLG-UHFFFAOYSA-N 216.240 2.544 0 40 BFAB O=C(Nc1ncccc1O)c1ccc(Cl)cc1 16386027 KVHRAEGZRLFRFM-UHFFFAOYSA-N 248.669 2.693 0 40 BFAB CCn1cc(NCc2cccc(F)c2)cn1 20350412 DDFNBMONBREIKP-UHFFFAOYSA-N 219.263 2.654 0 40 BFAB CCOc1ccccc1[C@H]1C[C@H]1[C@@H](C)N 20392369 MGOCNVGBTKLNMA-ADEWGFFLSA-N 205.301 2.536 0 40 BFAB CCN(CC)CC(=O)Nc1cccc(C)c1C 29127520 VHNDUNVOBOZDQM-UHFFFAOYSA-N 234.343 2.584 0 40 BFAB Cc1[nH]c2ccccc2c1C(=O)NC(C)C 29484225 AGUCLQJJEZGOPZ-UHFFFAOYSA-N 216.284 2.615 0 40 BFAB C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccccn1 32787665 YDVCNRVXMIOIGS-YPMHNXCESA-N 232.327 2.732 0 40 BFAB C[C@H]1C[C@H]1C(=O)N1CCCc2ccccc21 32975324 HRKQJDIJINBUOC-CMPLNLGQSA-N 215.296 2.622 0 40 BFAB CCCNC(=O)c1ccc(Cl)s1 33028729 HGZNCKODYKCUMS-UHFFFAOYSA-N 203.694 2.541 0 40 BFAB C[C@@H](SC1CCCC1)C(=O)N1CCCC1 33045912 ULVRSUHQZKSPIS-SNVBAGLBSA-N 227.373 2.673 0 40 BFAB O=C(O)[C@H]1CCc2cc(Br)ccc21 34165311 RHHOBLZUVLGGBU-VIFPVBQESA-N 241.084 2.564 0 40 BFAB in-vitro CC[C@@]1(C)OC(=O)N(Cc2ccccc2)[C@]1(C)O 35327531 MUMVWDVYJBOAQP-ZIAGYGMSSA-N 249.310 2.516 0 40 BFAB CC[C@@H](C)[C@H](N)CN(CC(C)C)CC(C)C 42034578 VNSBHYAEYKTNTB-ZIAGYGMSSA-N 228.424 2.974 0 40 BFAB c1coc(CSC[C@@H]2CCCNC2)c1 43471704 UGOZXXLPQXLBRL-SNVBAGLBSA-N 211.330 2.512 0 40 BFAB Cc1ccc(OCC(=O)N[C@@H](C)C(C)C)cc1 49535263 BZRVLGHFLWLPNZ-LBPRGKRZSA-N 235.327 2.535 0 40 BFAB CCCN1CC[C@H](CNc2cccc(C)n2)C1 65523327 XZKXWAXILJJOFB-CYBMUJFWSA-N 233.359 2.534 0 40 BFAB CCCOc1cc(C)ccc1NC(=O)N(C)C 69739841 JWMOTDOJNYIAJZ-UHFFFAOYSA-N 236.315 2.877 0 40 BFAB COCCCCC(=O)NC/C=C/c1ccccc1 71902895 WPVLXNVFQSEIDO-JXMROGBWSA-N 247.338 2.633 0 40 BFAB c1ccc([C@@H]2CCCN2c2ccccn2)nc1 72348498 METRLCQDSSWRDH-ZDUSSCGKSA-N 225.295 2.818 0 40 BFAB O=C(Nc1ccc(F)cc1)c1nccs1 74720067 XPQLHJHWDASVKR-UHFFFAOYSA-N 222.244 2.535 0 40 BFAB Cn1ccc2cccc([C@H]3CCCN3)c21 82912618 VBSGUZDZMWOYME-GFCCVEGCSA-N 200.285 2.603 0 40 BFAB O=Cc1cccc(COC2CCCC2)c1 84250515 YAULDYGPGOGQFO-UHFFFAOYSA-N 204.269 2.958 0 40 BFAB Cc1cscc1-c1nc(-c2cnccn2)no1 84508092 OGIKIKOYGSSTFL-UHFFFAOYSA-N 244.279 2.564 0 40 BFAB c1ccc(CN2CC[C@@H](CN3CCCC3)C2)cc1 89834886 LDDZSDKWHKWEAK-INIZCTEOSA-N 244.382 2.604 0 40 BFAB CC(C)[C@@H](CO)N[C@@H](C)CSC(C)(C)C 95423627 FVFRTODVZKMWDA-WDEREUQCSA-N 233.421 2.513 0 40 BFAB CCC(C)(C)NC(=O)[C@@H](SC)C(C)C 95425872 QZDHTJIHQZRFHM-VIFPVBQESA-N 217.378 2.679 0 40 BFAB Nc1nc2cc(F)c(Br)cc2s1 95829184 RTANGTWGWAJMPC-UHFFFAOYSA-N 247.092 2.780 0 40 BFAB in-vitro CCOc1ccc2nc(Cl)ncc2c1 95935170 IXCCMGZAKMKNIQ-UHFFFAOYSA-N 208.648 2.682 0 40 BFAB CC(C)Oc1c(Cl)cc(F)cc1C(=O)O 213969754 QFNNEXLMECMTDH-UHFFFAOYSA-N 232.638 2.965 0 40 BFAB FC(F)c1csc(C2CCNCC2)n1 215986774 WZACIOBCIQCTMZ-UHFFFAOYSA-N 218.272 2.548 0 40 BFAB O=Cc1cccc(OCCCCN2CCCC2)c1 217794565 ZNMXJDZYQVWLCP-UHFFFAOYSA-N 247.338 2.754 0 40 BFAB Cc1ccc(C)c(N[C@@H]2CCC[C@@H]2N)c1 218879094 DCHVTGCOGVKPKL-NWDGAFQWSA-N 204.317 2.595 0 40 BFAB CCc1nc(-c2ccc(N)cc2Cl)no1 225175074 TXNHSJCSONDPJK-UHFFFAOYSA-N 223.663 2.535 0 40 BFAB CCCc1ccc(CNCC(C)C)n1C 226020684 GEGLWYPHSIWLLR-UHFFFAOYSA-N 208.349 2.723 0 40 BFAB O=C(O)c1cc(Cl)c2nc(Cl)ccc2n1 238717608 RDBKADPONJTSPO-UHFFFAOYSA-N 243.049 2.635 0 40 BFAB Cc1ccccc1-c1ncnc(Cl)c1N 256055250 ZWXRRNYJCJYHTB-UHFFFAOYSA-N 219.675 2.688 0 40 BFAB Cc1nc(-c2ccc(C(N)=O)cc2)c(C)s1 408579552 HSRNAPKDRVNRJM-UHFFFAOYSA-N 232.308 2.526 0 40 BFAB CC[C@@H]1Cc2c(N)ccc(Br)c2O1 616567682 PDBXUUAAWCQOJK-ZCFIWIBFSA-N 242.116 2.745 0 40 BFAB CSc1nc(C)cc(N2CCC[C@@H](C)C2)n1 1155190726 ODCXXOSMCNICNT-SECBINFHSA-N 237.372 2.743 0 40 BFAB CCN1CCC[C@@H](OC(=O)Nc2ccccc2)C1 497470 YCZFJKXCQJCNHN-CYBMUJFWSA-N 248.326 2.719 0 40 BFAB COc1ccc2c3c([nH]c2c1)[C@H](C)N(C)CC3 1657254 XESCOJFEJCDSFL-VIFPVBQESA-N 230.311 2.725 0 40 BFAB C[C@@H]([C@H](O)c1cccc2ccccc12)N(C)C 1706281 LMLDSGFONOLDDP-NHYWBVRUSA-N 229.323 2.823 0 40 BFAB CCOC(=O)[C@H](C)Oc1ccccc1Cl 2771828 ZASLLZRPQBIMMY-QMMMGPOBSA-N 228.675 2.670 0 40 BFAB CCOc1ccccc1CN1CCCC1 4576193 PLQHVOJRYIZCDT-UHFFFAOYSA-N 205.301 2.681 0 40 BFAB CCOc1ccc(NC(=O)N(CC)CC)cc1 4834686 VMWSLMQVVBHWMV-UHFFFAOYSA-N 236.315 2.959 0 40 BFAB C[C@@]12CCCC=C1N(C=O)c1ccccc12 5004240 WJKHIEDRSFIECH-AWEZNQCLSA-N 213.280 2.989 0 40 BFAB CC[C@@H](Nc1ccccc1SC)C(=O)O 8702756 HIIANAHOZZGKHI-MRVPVSSYSA-N 225.313 2.684 0 40 BFAB COc1ccc(C(=O)Nc2ncccc2C)cc1 11535899 WHDYNKANLGZSFT-UHFFFAOYSA-N 242.278 2.651 0 40 BFAB C[C@H](N)CCc1ccc(Br)cc1 11631312 CVIOYLYCNCWKGX-QMMMGPOBSA-N 228.133 2.729 0 40 BFAB in-vitro CC[C@@H](C)c1ccc(O[C@H]2CCNC2)cc1 14632245 NFVXUXZEGMODPO-RISCZKNCSA-N 219.328 2.941 0 40 BFAB Cc1ccc(C2(C)O[C@@H](C)[C@@H](C)O2)cc1 18020643 CBMIXTRJKCQFBD-QYJAPNMZSA-N 206.285 2.992 0 40 BFAB C[C@@H]1CCCC[C@@H]1NCc1ccccn1 19957004 FOZLLACWSWHDHX-YPMHNXCESA-N 204.317 2.750 0 40 BFAB CC(=O)N(Cc1ccc2cc[nH]c2c1)C1CC1 32123930 ZQHBTGDDQZQNEP-UHFFFAOYSA-N 228.295 2.679 0 40 BFAB biogenic NC(=O)c1ccc(-c2cccc(Cl)c2)nc1 32537390 HYNRCOLCRYCNPU-UHFFFAOYSA-N 232.670 2.501 0 40 BFAB COC(=O)c1cccc(NC(=O)C2CCC2)c1C 32764807 BKOYASWGQVDTGP-UHFFFAOYSA-N 247.294 2.520 0 40 BFAB CCOc1cc2ccccc2cc1C(=O)NC 32784539 BWTDZAAFNWHDGR-UHFFFAOYSA-N 229.279 2.598 0 40 BFAB C[C@@H](NC(=O)C1CCC1)c1cccc(F)c1 32983560 DZZNHPJJKZHHTF-SECBINFHSA-N 221.275 2.803 0 40 BFAB OC[C@@H](c1cccc(Cl)c1)N1CCCCC1 41282813 HOOGQYXOVYJIDQ-ZDUSSCGKSA-N 239.746 2.859 0 40 BFAB OCCCNc1ccnc2ccc(Cl)cc12 41474793 COPSPXCYVINXCL-UHFFFAOYSA-N 236.702 2.683 0 40 BFAB c1ccc(OCCC[C@@H]2CCCNC2)cc1 42784218 CQDUAPWOKYJVMS-ZDUSSCGKSA-N 219.328 2.845 0 40 BFAB CCCC1CCC(NCC(C)(C)O)CC1 49545348 TYDUYHMDHSDBCZ-UHFFFAOYSA-N 213.365 2.706 0 40 BFAB CC(C)(C)c1ccc2c(c1)C(=O)NCCC2 57939402 FTRSFNKWWSZOBE-UHFFFAOYSA-N 217.312 2.660 0 40 BFAB C/C=C/C=C/C(=O)N[C@@H](C)CCc1ccco1 58264022 HFTDWUGTWBUTMO-GCYQILFWSA-N 233.311 2.849 0 40 BFAB O[C@H](c1cnc2ccccc2c1)C(F)(F)F 61893933 JOIVPPLBXREBDQ-SNVBAGLBSA-N 227.185 2.831 0 40 BFAB CCCN(CCC)Cc1nc(C(C)C)no1 65539238 XPUMXXTYFWJSOF-UHFFFAOYSA-N 225.336 2.815 0 40 BFAB CCCN1CCC[C@@H]1c1cnc(N)c(C)c1 72218441 QZLAOQRWEPTUKH-GFCCVEGCSA-N 219.332 2.519 0 40 BFAB Cc1ccc(-c2cc(C3(C(=O)O)CC3)no2)cc1 72220587 YYIBROZHRLFVKH-UHFFFAOYSA-N 243.262 2.766 0 40 BFAB CN1CC[C@@H](Cc2ccc3ncccc3c2)C1 72367716 KUMOLQGBWOTIIC-ZDUSSCGKSA-N 226.323 2.729 0 40 BFAB Cc1ccccc1C(=O)NCC[C@H](O)C(C)(C)C 77108926 JJTMZIZLJFDOFQ-ZDUSSCGKSA-N 249.354 2.522 0 40 BFAB O[C@@H](c1ccc(Cl)c(F)c1)C1CC1 84194166 GJUFEXDUYHUCNO-SNVBAGLBSA-N 200.640 2.923 0 40 BFAB O=C(C1CCCCCCC1)N1CCCC1 86580470 JPXQYUSOUJWTIX-UHFFFAOYSA-N 209.333 2.969 0 40 BFAB COc1c(C)cc([C@H]2CCC[C@@H]2O)cc1C 95729008 DKEKQEMXOJDNKC-OLZOCXBDSA-N 220.312 2.940 0 40 BFAB COc1cccc2c1C1[C@H]3C4C5[C@@H]3C2[C@H]5[C@@H]14 104286310 PHICXBGTDAEVRO-WTEGDZJDSA-N 210.276 2.628 0 40 BFAB O=C(OCCc1ccccc1)[C@H]1C[C@H]2C=C[C@H]1C2 104391965 XKOYSRHHVYJVSY-KKUMJFAQSA-N 242.318 2.985 0 40 BFAB Cc1ccc(C2OCCO2)cc1Br 107710676 YTQXPAWDHPRBBM-UHFFFAOYSA-N 243.100 2.803 0 40 BFAB CC(C)n1nc2cccc(Br)c2n1 216589910 SMEWJCMOVDXNHH-UHFFFAOYSA-N 240.104 2.775 0 40 BFAB CCCc1ccc(C(=O)[C@@H]2C[C@@H]2C(=O)O)cc1 217816656 UEOJTNJBQSCQEY-NEPJUHHUSA-N 232.279 2.543 0 40 BFAB Cc1ccc(N[C@@H]2CCCC[C@H]2N)c(F)c1 218867042 BEYAYJXCSGJMIU-DGCLKSJQSA-N 222.307 2.816 0 40 BFAB Cc1ccsc1COc1nccnc1C 585651032 JDQUFZCWOJTISQ-UHFFFAOYSA-N 220.297 2.734 0 40 BFAB FC(F)c1cc(N[C@@]23CCC[C@@H]2C3)ncn1 724645460 SZJLQZVVHIFFRG-RDDDGLTNSA-N 225.242 2.769 0 40 BFAB CC(C)(C)C(=O)Nc1onc2c1CCCC2 1888849824 WMKCODCQUQIPIT-UHFFFAOYSA-N 222.288 2.538 0 40 BFAB O=C([C@@H]1CC12CCC2)N1CCc2ccccc21 27603 HVVOCGTVQAUZNY-LBPRGKRZSA-N 227.307 2.766 0 40 BFAB CNc1ccccc1Sc1cnc(N)nc1C 1607454 OSPNTBSANXMPBW-UHFFFAOYSA-N 246.339 2.560 0 40 BFAB C[C@H](O)COc1ccc(Cl)cc1Cl 1641056 FCXMBTHLXLLDFS-LURJTMIESA-N 221.083 2.753 0 40 BFAB C=CS(=O)(=O)C[C@H](CC)CCCC 3668819 PSXUXCCYOHQSAS-SNVBAGLBSA-N 204.335 2.761 0 40 BFAB CCN(CC)C[C@H](O)c1c[nH]c2ccccc12 5215631 HDTIJEQXZDFVTJ-AWEZNQCLSA-N 232.327 2.543 0 40 BFAB biogenic CCCC(C)(C)NC(=O)Cc1ccccc1 5417450 WNMVQBZCTBMCIM-UHFFFAOYSA-N 219.328 2.924 0 40 BFAB Nc1cc(-c2ccccc2C(F)(F)F)n[nH]1 5594925 RMESUTALZUKOKV-UHFFFAOYSA-N 227.189 2.678 0 40 BFAB in-vitro CC1(C)[C@@H]2CC[C@@]1(C)c1nc(N)sc12 5706001 CEOWRADDCLFLQS-KBUNVGBDSA-N 208.330 2.900 0 40 BFAB O=C(c1ccccc1)c1ccc2[nH]ccc(=O)c2c1 8628488 CLPDTTSCVKRSNS-UHFFFAOYSA-N 249.269 2.759 0 40 BFAB C[C@H](NC(=O)Nc1ccc(F)cc1F)C1CC1 8728706 WNXOUANCFKZCOM-ZETCQYMHSA-N 240.253 2.885 0 40 BFAB COc1ccc2sc(N3CCCC3)nc2c1 12230014 NKEXCNJAAMHRIG-UHFFFAOYSA-N 234.324 2.905 0 40 BFAB CCCc1cc(O)n(-c2nc3ccccc3o2)n1 14607844 SVXQOMAJIWYRMP-UHFFFAOYSA-N 243.266 2.672 0 40 BFAB O=C(Cc1ccsc1)NCc1ccccc1 15634444 NMNBESSGLSFNEL-UHFFFAOYSA-N 231.320 2.607 0 40 BFAB Cc1ccccc1-c1ccc2c(c1)C(=O)C(=O)N2 16946233 CCOSBLWNINPKQQ-UHFFFAOYSA-N 237.258 2.797 0 40 BFAB Nc1cc(Cl)ccc1C(=O)N1CCCCC1 19260730 ONDLGHGVJQYNAO-UHFFFAOYSA-N 238.718 2.548 0 40 BFAB C=C1c2ccccc2NC(=O)N1C[C@H]1CCCO1 25060741 WRUZACDDHTYXFD-LLVKDONJSA-N 244.294 2.684 0 40 BFAB Fc1cccc(-c2ccc(Cl)nn2)c1 26420503 SWHBEWAGUFMFCG-UHFFFAOYSA-N 208.623 2.936 0 40 BFAB Cc1c(Cl)ccc2ccc(C(=O)O)nc12 26474889 UDUXKPSGNPVCAX-UHFFFAOYSA-N 221.643 2.895 0 40 BFAB O=C(OCc1ccccc1)N1CCC(F)(F)C1 26896963 XZMBERXRQLASNY-UHFFFAOYSA-N 241.237 2.664 0 40 BFAB O=C(O)CN(Cc1ccccc1)C1CCCCC1 32102950 QBFSDXADVRZKNO-UHFFFAOYSA-N 247.338 2.906 0 40 BFAB COc1ccc(C)cc1NC(=O)CC(F)(F)F 40490325 IPVREYVGPQOCES-UHFFFAOYSA-N 247.216 2.895 0 40 BFAB CC[C@H](C)C(=O)NCCSC1CCCC1 40511071 OSJCVELNJMTTAL-JTQLQIEISA-N 229.389 2.825 0 40 BFAB CC(C)=CC(=O)NCCCc1ccccc1 41589679 RPYYJVNVEDQMFV-UHFFFAOYSA-N 217.312 2.702 0 40 BFAB Cc1ccc(C(=O)c2ccco2)cc1F 43606591 NQNKTCIDIVAPBJ-UHFFFAOYSA-N 204.200 2.958 0 40 BFAB Cc1cccc(C(=O)[C@@H]2CCC[C@H]2C(=O)O)c1C 43879196 FQEGSIOKFYJWIQ-CHWSQXEVSA-N 246.306 2.987 0 40 BFAB Cc1cc(CN(C)[C@@H](C)CC(C)C)on1 45823347 VXCMODLEHPRYSM-NSHDSACASA-N 210.321 2.849 0 40 BFAB Cc1cccc(O[C@@H](C)C(=O)N[C@H](C)C(C)C)c1 57160053 YKJQCVCETDKXFK-OLZOCXBDSA-N 249.354 2.923 0 40 BFAB Cc1ccc(C(=O)Nc2c(C)noc2C)cc1F 58201552 DGBQSQGQDVARJC-UHFFFAOYSA-N 248.257 2.991 0 40 BFAB CNc1ccc([C@@H]2CCCN2C(C)C)c(C)n1 72219099 GDSWWHLNWXBWDY-ZDUSSCGKSA-N 233.359 2.977 0 40 BFAB CO[C@@H](C)c1ccc([C@@H](C)C(=O)O)cc1 72220138 VMUCNJMJEDTACK-BDAKNGLRSA-N 208.257 2.582 0 40 BFAB CCCCC(=O)Nc1cc(F)ccc1O 72313291 WSNZIMNZAHBNCD-UHFFFAOYSA-N 211.236 2.660 0 40 BFAB CN(C)c1ccc(C(=O)C(C)(C)C)cc1 75854818 YTYYYIKVZGUACR-UHFFFAOYSA-N 205.301 2.981 0 40 BFAB CCOC(=O)[C@@H](C)C(=O)c1ccc(C)c(C)c1 85396789 VTHMGPLDIIDRNG-NSHDSACASA-N 234.295 2.685 0 40 BFAB Cc1nc2ncnc(Cl)c2c(C)c1C 95533170 TZVLXUHQGZQJQJ-UHFFFAOYSA-N 207.664 2.603 0 40 BFAB OCc1nc(NCc2ccccc2)ccc1Cl 95990303 CEACIBYIVIXVFT-UHFFFAOYSA-N 248.713 2.839 0 40 BFAB COc1cc(F)ccc1N(C)Cc1cccnc1 96415736 XVYACIKDYJEEGT-UHFFFAOYSA-N 246.285 2.866 0 40 BFAB Cc1cc(COC(=O)c2ccsc2)nc(C)n1 97110980 MXFACFNQBYZFLD-UHFFFAOYSA-N 248.307 2.512 0 40 BFAB COC(C)(C)CNC1CC(c2ccccc2)C1 97371082 XOYIKCAZVCJIOC-UHFFFAOYSA-N 233.355 2.947 0 40 BFAB O=C(c1ccc(F)cc1)c1c[nH]c2cnccc12 100228658 XKTFJZVBYBXOBV-UHFFFAOYSA-N 240.237 2.933 0 40 BFAB CC1(C)[C@@H]2CN(C(=O)C3CCCCC3)C[C@H]21 102360809 OXGNEPFFSVWPFX-VXGBXAGGSA-N 221.344 2.681 0 40 BFAB O=C1CCCCCC[C@H]1C(=O)C(F)(F)F 102895937 ZAVJTSLIGAGALR-SSDOTTSWSA-N 222.206 2.657 0 40 BFAB CCCOc1c(C)cc(CC(=O)O)cc1C 106679926 FBHINSIXCQXFON-UHFFFAOYSA-N 222.284 2.719 0 40 BFAB c1cnc(O[C@@H]2CCCc3ccccc32)nc1 138004557 TXMFNVMSPBQOAE-CYBMUJFWSA-N 226.279 2.933 0 40 BFAB O=C(O)c1cc(F)cnc1NCc1ccccc1 199745765 PBPLQPISDXCFQH-UHFFFAOYSA-N 246.241 2.531 0 40 BFAB CNc1cc(C)nc([C@@H]2CCN(CC3CC3)C2)c1 205694685 LXYYUNUJDNCSOT-CYBMUJFWSA-N 245.370 2.631 0 40 BFAB c1cnc(-c2csc(NCC3CCC3)n2)cn1 225455858 FEBINCJYGAKWGB-UHFFFAOYSA-N 246.339 2.812 0 40 BFAB C[C@@H](CC(=O)O)n1cc(Cl)c(C(F)F)n1 408716489 NOYMIEHVWOBWPV-BYPYZUCNSA-N 238.621 2.510 0 40 BFAB O=C(c1ccc(N2CCOCC2)cc1)C1CCC1 575358804 RYLVDCZXSOYNOY-UHFFFAOYSA-N 245.322 2.506 0 40 BFAB Cc1ccc[n+](Cc2ccc3ccccc3n2)c1 500526 GYCSRGVIKSRHFH-UHFFFAOYSA-N 235.310 2.879 0 40 BFAB CC[C@@]1(C)OC(=O)N(c2ccccc2)[C@]1(C)O 1055180 HZYGFMWHYMVDFI-CHWSQXEVSA-N 235.283 2.520 0 40 BFAB CC(=O)c1c(C)n(C)c2c1nnc1ccccc12 1585743 LMLWGKUBBGQXPP-UHFFFAOYSA-N 239.278 2.633 0 40 BFAB NC(=O)/C(=C\c1ccccc1)c1ccccc1 2168734 VTOAFAPBGXLGME-KAMYIIQDSA-N 223.275 2.713 0 40 BFAB C[C@@H](CC(=O)O)Sc1cccs1 2524914 SIFFRIHCTBGQTC-LURJTMIESA-N 202.300 2.703 0 40 BFAB C[C@@H](NC(=O)c1ccccn1)c1ccc(F)cc1 3344762 YFHWYTUOFFKNTA-SNVBAGLBSA-N 244.269 2.712 0 40 BFAB CCCC(=O)Nc1ccc(C)cc1OC 4704393 AGVFRIAXCORJJH-UHFFFAOYSA-N 207.273 2.742 0 40 BFAB O=C(CCC1CCCC1)N1CCCCC1 5382543 LCRAOYOVABHDOC-UHFFFAOYSA-N 209.333 2.969 0 40 BFAB C[C@H]1CC[C@@H](C)N1c1ccccc1C(=O)O 8703797 XMFPLVXRBHLBQZ-AOOOYVTPSA-N 219.284 2.762 0 40 BFAB CN(Cc1cccnc1)C(=O)Nc1ccccc1 8707707 WXAOGGBSSIMZHY-UHFFFAOYSA-N 241.294 2.746 0 40 BFAB Nc1ccc2c(c1)CN(C1CCCC1)C2 11731041 IPZFHCDSIYNCCK-UHFFFAOYSA-N 202.301 2.527 0 40 BFAB Cc1ccc([C@@H](N)c2ccccn2)c(C)c1 11737325 MHZQYRCLDDYGTG-CQSZACIVSA-N 212.296 2.747 0 40 BFAB C[C@@H](NC(=O)c1ccoc1)c1ccccc1F 12865219 XIIZDLZLKVZKDJ-SECBINFHSA-N 233.242 2.910 0 40 BFAB CN(Cc1ccco1)c1ncnc2ccccc12 12953216 WMFPSPHKUNFQCN-UHFFFAOYSA-N 239.278 2.859 0 40 BFAB CC(C)CNC(=O)CCCOc1ccccc1 14401717 ZUPCMKHGZOMFJM-UHFFFAOYSA-N 235.327 2.618 0 40 BFAB CCc1ccc(N[C@H](C)C(=O)NC(C)(C)C)cc1 20314969 QRIRRYASXQSVRK-LLVKDONJSA-N 248.370 2.964 0 40 BFAB COc1cc(C)c(NC(=O)C=C(C)C)cc1OC 23154220 AMBUAUHAWVITBA-UHFFFAOYSA-N 249.310 2.917 0 40 BFAB Cc1ccc(-c2csc3nc(N)nn23)c(C)c1 31891219 XGEJMRPHLOZLDD-UHFFFAOYSA-N 244.323 2.657 0 40 BFAB CCCCNC(=O)c1ccn(C2CCCC2)n1 32611577 ZBQTVFOAXKVDAO-UHFFFAOYSA-N 235.331 2.528 0 40 BFAB Cc1ccc(NCc2ccc(F)cc2)nn1 32624600 SPDRLWRNTLLTKQ-UHFFFAOYSA-N 217.247 2.536 0 40 BFAB CC(C)CNC(=O)NCc1ccc(Cl)cc1 32862386 AVFFCTMSZMFQGX-UHFFFAOYSA-N 240.734 2.795 0 40 BFAB CCCOc1ccc(OC)cc1CNC1CC1 34656211 CWBDPKVZOCWOIG-UHFFFAOYSA-N 235.327 2.736 0 40 BFAB CCn1c(C)cc(=O)c2cccc(C)c21 40164100 QUFAKGXWUGREJT-UHFFFAOYSA-N 201.269 2.638 0 40 BFAB COCC(=O)Nc1ccccc1C(C)(C)C 70249558 KIAYPKLRWJDEHA-UHFFFAOYSA-N 221.300 2.569 0 40 BFAB NCC1(Cc2ccc(Br)cc2)CC1 71549974 CEDXQAQYFBKREG-UHFFFAOYSA-N 240.144 2.731 0 40 BFAB CCOC(=O)CC(C)(C)Nc1ccccc1 72210250 TXOZUBPNEVIDCD-UHFFFAOYSA-N 221.300 2.830 0 40 BFAB CC(=O)c1cccc(C)c1Br 84478645 KFBAJJMHDBXFIB-UHFFFAOYSA-N 213.074 2.960 0 40 BFAB CCO[C@@H]1C[C@@H](N(C)Cc2cccnc2)C1(C)C 84800746 PXLHLFUEHUWZDW-ZIAGYGMSSA-N 248.370 2.717 0 40 BFAB C[C@@H](NCc1ccc(F)cc1)[C@H]1CCCOC1 96002109 GVULEYXSTSNZOQ-YPMHNXCESA-N 237.318 2.730 0 40 BFAB COCCN[C@@H](c1cc(F)ccc1F)C1CC1 96493181 RAMNHYDMAPYBDR-CYBMUJFWSA-N 241.281 2.652 0 40 BFAB Fc1ccc2c(c1)CCN(Cc1cncs1)C2 97051062 WXPBENYPHFBSOT-UHFFFAOYSA-N 248.326 2.841 0 40 BFAB COc1cccc2c1N=C1OC=C[C@@H]1[C@H]2OC 103868184 LTDBEQPXTVWIGW-SKDRFNHKSA-N 231.251 2.586 0 40 BFAB CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](F)C1 107261454 LMGCOGYRDPYGEQ-RKDXNWHRSA-N 217.284 2.792 0 40 BFAB C[C@@H](NN)c1ccccc1OCc1ccccc1 199535502 UMPWCRFNOOMVFE-GFCCVEGCSA-N 242.322 2.790 0 40 BFAB N[C@@H]1CCCC[C@H]1Nc1cc(F)cc(F)c1 218866531 YUKCVQVPWIHNDE-VXGBXAGGSA-N 226.270 2.647 0 40 BFAB CCC[C@H](C)NC(=S)Nc1ncccc1C 225384265 VJVIVUHIDZRZGA-JTQLQIEISA-N 237.372 2.865 0 40 BFAB O=C(O)C[C@@H]1COc2ccc(C(F)(F)F)cc21 257974158 GQLCSPVTSQTQEI-ZCFIWIBFSA-N 246.184 2.656 0 40 BFAB CCOC(=O)c1ccc(Cl)c(OC)c1F 642814260 AVPUJEPVLNPFQK-UHFFFAOYSA-N 232.638 2.664 0 40 BFAB CC(C)Cc1c(O)nc2cccc(F)c2c1O 685936990 GYQJHOVZKXUDRX-UHFFFAOYSA-N 235.258 2.984 0 40 BFAB CC(C)c1ccc(O[C@@H]2CC[C@H]2O)cc1 704036538 DVJKUILMQLHEOZ-CHWSQXEVSA-N 206.285 2.712 0 40 BFAB CCN(C)C(=O)Oc1cccc([C](C)N(C)C)c1 1560410038 SYZKBDPIKWPTEH-UHFFFAOYSA-N 249.334 2.599 0 40 BFAB O=C(c1ccccc1F)N1CCCCCC1 340575 ADWADSQFPPWJEM-UHFFFAOYSA-N 221.275 2.842 0 40 BFAB Cc1cc(C)n(C(=O)OCc2ccccc2)n1 387748 NSZQESVAWUNKBZ-UHFFFAOYSA-N 230.267 2.685 0 40 BFAB O=C1CCCc2[nH]c3ccc(F)cc3c21 1580337 LWGNURGTUVSLGV-UHFFFAOYSA-N 203.216 2.826 0 40 BFAB in-vitro CCOC(=O)[C@]1(C/C=C(/C)Cl)CCCC1=O 1630017 VIWRVBZAJJBCCD-PWWFUAJNSA-N 244.718 2.822 0 40 BFAB C[C@@H]1OC(C(Cl)(Cl)Cl)O[C@H]1C 1656288 XPVRYPSUEFTEKE-IMJSIDKUSA-N 219.495 2.507 0 40 BFAB Cc1ccccc1O[C@@H](C)C(=O)NCCC(C)C 2069583 YDWUFIRGFORKAL-ZDUSSCGKSA-N 249.354 2.925 0 40 BFAB CC(C)[C@@H]1C[C@H](C)CC[C@H]1O[C@H]1C=CC(=O)O1 4114338 CLAZQKKQQKBAAC-GFQSEFKGSA-N 238.327 2.903 0 40 BFAB C/C(=C\c1ccccc1)C(=O)NCC(C)C 4696224 LWJYXBPEIRQHIY-FMIVXFBMSA-N 217.312 2.862 0 40 BFAB N=c1c2ccccc2ncn1-c1ccccc1 4823581 NCFRXROSZHMMQP-UHFFFAOYSA-N 221.263 2.505 0 40 BFAB CCOCC[C@H](SC(=N)N)c1ccccc1 5474592 APOSEMJLSFBHLB-NSHDSACASA-N 238.356 2.781 0 40 BFAB CCC1=NO[C@H](C(=O)OCc2ccccc2)[C@H]1C 8652505 SUXYPBVJSUHVBJ-GWCFXTLKSA-N 247.294 2.531 0 40 BFAB NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 12506015 UWEVJKJUENNRQT-GOOCMWNKSA-N 230.355 2.531 0 40 BFAB in-vitro CC(C)CCNC(=O)c1cc(Cl)ccc1O 12912348 VDEZGJAKWQJMSN-UHFFFAOYSA-N 241.718 2.822 0 40 BFAB CC(C)(O)[C@@H]1CC[C@@]2(C)CCC[C@@H](O)[C@@H]2C1 17190365 PYDYAPFBFDTVMM-GFQSEFKGSA-N 226.360 2.725 0 40 BFAB Cc1cc(C(=O)Nc2ccccc2F)ccc1N 20220763 WZWGJOWYOOXLHF-UHFFFAOYSA-N 244.269 2.969 0 40 BFAB CCNC(=O)c1ccccc1-c1c(C)noc1C 32507761 DGJSSGUSWWHAIU-UHFFFAOYSA-N 244.294 2.708 0 40 BFAB O[C@]12CCCC[C@@H]1[C@H](c1ccccc1F)NCC2 33797207 KQIPCHXUWWIJAV-SNPRPXQTSA-N 249.329 2.781 0 40 BFAB O=c1cc(O)[nH]c2c(Cl)cc(Cl)cc12 34067835 IYMLPNJEWQYNOK-UHFFFAOYSA-N 230.050 2.541 0 40 BFAB CC[C@H](N)Cc1ccccc1Br 36778809 ZBDCBONPLNNBMS-VIFPVBQESA-N 228.133 2.729 0 40 BFAB in-vitro CC[C@H](C)NCC(=O)Nc1c(C)cccc1C 37386316 JFSRFVGANPPEOO-LBPRGKRZSA-N 234.343 2.630 0 40 BFAB O[C@H]1CCC[C@H]1Nc1ccccc1Cl 37689902 YXXTYANVBPPGJY-MNOVXSKESA-N 211.692 2.665 0 40 BFAB COc1ccc([C@@H](O)c2ccc(C)o2)c(C)c1 40246258 LIHGJUHPJNMBLF-CQSZACIVSA-N 232.279 2.987 0 40 BFAB CCNC(=O)N[C@H](C)c1cccc(Cl)c1 43467077 VEXLWOCOQMFZBM-MRVPVSSYSA-N 226.707 2.720 0 40 BFAB Cn1ccnc1CNc1cnc2ccccc2c1 51922096 AMZFCXLIEFJFQX-UHFFFAOYSA-N 238.294 2.580 0 40 BFAB Cc1cc(C(=O)N(C)[C@@H](C)c2ccccc2)no1 57466962 SYAZFNCCIFFTNA-NSHDSACASA-N 244.294 2.816 0 40 BFAB CC(C)CCCNC(=O)[C@H]1CC=CCC1 71800822 LAECIEFPDXNCQG-LBPRGKRZSA-N 209.333 2.895 0 40 BFAB Brc1ncc(-c2ccccc2)cn1 72192073 INJBTFKWNNQGGN-UHFFFAOYSA-N 235.084 2.906 0 40 BFAB CCN1CCCC[C@@H]1c1ccc(S)nc1 72217017 CJJQIHJYHCZXNL-LLVKDONJSA-N 222.357 2.917 0 40 BFAB C[C@@H](O)c1ccc(Oc2ccccc2)nc1 72225178 XACDOGRKFVHPGS-SNVBAGLBSA-N 215.252 2.927 0 40 BFAB CC1(C)[C@@H]2C=C(CCN3CCOCC3)C[C@H]1C2 73410641 XCCKSPXZRUJKEI-KGLIPLIRSA-N 235.371 2.701 0 40 BFAB Cc1ccc(-c2nc(Cl)c(C=O)[nH]2)cc1 82364907 PJGPLAVOOBRIFP-UHFFFAOYSA-N 220.659 2.851 0 40 BFAB NCC1CC(c2cccc(Br)c2)C1 84055058 XNQCRVHKJHWCHJ-UHFFFAOYSA-N 240.144 2.901 0 40 BFAB Cc1cc(Br)cc([C@H](C)N)c1 84479935 LTOZVMUMNVAZDC-ZETCQYMHSA-N 214.106 2.777 0 40 BFAB CC(C)S[C@H](C)C(=O)NCc1cccs1 84622353 SUGVWXYPUSNHLV-SECBINFHSA-N 243.397 2.894 0 40 BFAB C[C@H]1CCN(C(=O)Nc2cccnc2)[C@@H](C)C1 95400069 GJLGBBVJBBFWQW-QWRGUYRKSA-N 233.315 2.734 0 40 BFAB Clc1cnc(N2C[C@H]3CC=CC[C@@H]3C2)nc1 95406816 VTRUUMDWUOMEEE-NXEZZACHSA-N 235.718 2.532 0 40 BFAB COc1ccc(C(C)=O)cc1OCC(C)C 95732420 WLVYCICWPIAOHN-UHFFFAOYSA-N 222.284 2.933 0 40 BFAB CC(C)COc1c(F)cc(F)cc1C(=O)O 95732450 MOJRQLVGMKMWSD-UHFFFAOYSA-N 230.210 2.698 0 40 BFAB CCOC(=O)CCCOc1ccc(F)cc1C 95734136 WJMSHOXFFILJBI-UHFFFAOYSA-N 240.274 2.856 0 40 BFAB O=C(NCc1ccccc1OC1CCC1)C1CC1 96411096 SRHZVFOPRQJJLA-UHFFFAOYSA-N 245.322 2.644 0 40 BFAB CCc1cnc([C@@H](C)Nc2ncccn2)s1 96455829 HNJCYNCXJWTARX-MRVPVSSYSA-N 234.328 2.669 0 40 BFAB Cc1cc(C)c(CN)c(OCC(C)C)c1 96526191 GEWGEOPSGRGXRD-UHFFFAOYSA-N 207.317 2.797 0 40 BFAB CCNc1nnc(Cc2ccccc2)s1 97085892 AHBDGDWBPWZQPU-UHFFFAOYSA-N 219.313 2.561 0 40 BFAB Cc1ccc(CN2CCCSCC2)o1 97375247 YPLDYHDXVQUQPO-UHFFFAOYSA-N 211.330 2.527 0 40 BFAB CCNC(=O)N1CCC(=Cc2ccccc2)CC1 98018752 PVYLXUMTJYRSRV-UHFFFAOYSA-N 244.338 2.895 0 40 BFAB O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1c1ccccc1 100503073 PWQBPEKAJJSVFH-RVMXOQNASA-N 214.264 2.677 0 40 BFAB CCC[C@@H](C)NC(=S)Nc1ccncc1 225178710 XDQAVWDAYZBAEZ-SECBINFHSA-N 223.345 2.557 0 40 BFAB Cc1ccc(CN2CCN[C@H]3CCCC[C@@H]32)cc1 225712078 VHXZCDVILTXYHM-HOTGVXAUSA-N 244.382 2.711 0 40 BFAB Cc1cncc(NCc2ccc3c(c2)OCO3)c1 232073146 AYGTYBXYFSXCRE-UHFFFAOYSA-N 242.278 2.731 0 40 BFAB COc1cc2[nH]c(C(F)(F)F)nc2cc1F 258830820 IACLNZDRWXDCQD-UHFFFAOYSA-N 234.152 2.729 0 40 BFAB COc1cc(F)ccc1C(=O)C=C(C)C 382684236 DFVZQZFNRNXNLH-UHFFFAOYSA-N 208.232 2.983 0 40 BFAB CCn1c2c(sc1=N)Cc1cc(OC)ccc1-2 408576202 TXRZWDPAVNNNTJ-UHFFFAOYSA-N 246.335 2.629 0 40 BFAB CC(=O)N1CCc2cc3nc(C)cc(C)c3cc21 481047 PWJUBTOPMCVVII-UHFFFAOYSA-N 240.306 2.761 0 40 BFAB Clc1ncnc2c1ncn2C1CCCCC1 1561964 HKLKVTSIZURDBH-UHFFFAOYSA-N 236.706 2.985 0 40 BFAB COc1ccc([C@H]2OCC[C@@H](C)O2)cc1OC 1677010 MSPASFGBWTVGSN-RNCFNFMXSA-N 238.283 2.528 0 40 BFAB Clc1ncnc2oc(-c3ccccc3)nc12 1723121 WGFDYVQGOQQPSJ-UHFFFAOYSA-N 231.642 2.938 0 40 BFAB CCO[C@H](CN1CCCC1)c1ccccc1 2033761 QGGLZIVESWLVPS-CQSZACIVSA-N 219.328 2.860 0 40 BFAB CCCCC(=O)Nc1ccc(O)cc1C 4666479 HFGXUSCIYHJMHQ-UHFFFAOYSA-N 207.273 2.829 0 40 BFAB CC1CCN(C(=O)Cc2cccs2)CC1 5427512 HXFBIOPIKXTUIV-UHFFFAOYSA-N 223.341 2.549 0 40 BFAB CC[C@H](Oc1ccc(C)cc1C)C(=O)O 8729624 GXKLQYARFWXBJC-JTQLQIEISA-N 208.257 2.545 0 40 BFAB C[C@@H](NC(=O)NCc1ccccc1)c1ccco1 9218336 ZWPZUFCAHLSMCI-LLVKDONJSA-N 244.294 2.840 0 40 BFAB Cc1ccc(O)c(NC(=O)C(C)(C)C)c1 11639036 QSJHBHZUNYDSAV-UHFFFAOYSA-N 207.273 2.685 0 40 BFAB CC(C)n1ccc(-c2csc(N)n2)c1 20131652 CODBSDJHDWBRLC-UHFFFAOYSA-N 207.302 2.775 0 40 BFAB Nc1nc2ccc(N3CCCCC3)cc2s1 20133700 IEWVPMDQHHOTTR-UHFFFAOYSA-N 233.340 2.869 0 40 BFAB Cc1c(N)cccc1C(=O)Nc1ccc(F)cc1 20194532 IGZLKFDXOCQTPW-UHFFFAOYSA-N 244.269 2.969 0 40 BFAB Cc1ccccc1C1(C(=O)O)CCCC1 20429423 OXQMUWLDAHABBR-UHFFFAOYSA-N 204.269 2.891 0 40 BFAB in-vitro Cc1ccc2c(c1)S[C@@H](C(=O)NCC1CC1)C2 25574726 HXLUIXFGOKTADG-CYBMUJFWSA-N 247.363 2.538 0 40 BFAB Cc1cc(N[C@H](C)c2cccs2)nc(N)n1 32540549 OOEJRHRXLPIXTI-MRVPVSSYSA-N 234.328 2.602 0 40 BFAB CCCC[C@H](CC(=O)OC(C)(C)C)C(=O)O 34416625 PRKYQKFRMIJBQV-SECBINFHSA-N 230.304 2.609 0 40 BFAB Cc1ccc(-n2cccc2C(=O)O)c(C)c1 35431447 CICINEYBXDFBRL-UHFFFAOYSA-N 215.252 2.792 0 40 BFAB Cc1c(-c2cccc(OC(F)F)c2)n[nH]c1N 36935992 VPZUYFLALCRPKH-UHFFFAOYSA-N 239.225 2.569 0 40 BFAB in-vitro CC(C)COc1ccc(F)cc1C(=O)O 37234393 KPXNYPWEMIFBPA-UHFFFAOYSA-N 212.220 2.559 0 40 BFAB COC(=O)c1c[nH]c2c(C(F)(F)F)cccc12 38591000 AGBQKKMHXAYNCD-UHFFFAOYSA-N 243.184 2.973 0 40 BFAB Cc1cccc(-n2cnc(Cl)c2C=O)c1 40150491 VBHVSBYIZWXINZ-UHFFFAOYSA-N 220.659 2.647 0 40 BFAB CC[C@@H](C)n1c(CNC)nc2ccccc21 40163802 XSWVWXBNSXOLBM-SNVBAGLBSA-N 217.316 2.727 0 40 BFAB Nc1cc(C(=O)OCc2ccccc2)ccc1F 42372785 QDWCLHABHDGMFY-UHFFFAOYSA-N 245.253 2.765 0 40 BFAB Nc1cc(-c2cc3ccccc3s2)n[nH]1 42431937 HBUYTDMBPRZSLZ-UHFFFAOYSA-N 215.281 2.874 0 40 BFAB in-vitro CC[C@@H](Cc1cc(F)ccc1F)C(=O)O 43459165 MGLLBZYQWCVFSH-ZETCQYMHSA-N 214.211 2.618 0 40 BFAB N[C@@H](CC(=O)O)c1cc(-c2ccccc2)cs1 44217077 NQAQVJPJEUSZQM-NSHDSACASA-N 247.319 2.890 0 40 BFAB CCN(CC)c1ccc([C@H]2C[C@@H]2CN)cc1 62494920 IZPPELIVXYQZQR-TZMCWYRMSA-N 218.344 2.595 0 40 BFAB CCN(CC)C(=O)/C=C/c1ccccc1F 65520762 ORFBORHRDLTVCA-MDZDMXLPSA-N 221.275 2.707 0 40 BFAB CCOc1cc(C(=O)O)nc2cc(C)c(C)cc12 72221269 FBGQCSSGZPEBLS-UHFFFAOYSA-N 245.278 2.949 0 40 BFAB Cc1ccccc1C(=O)NCC(C)(C)C 75909881 PKFQFHXFHYAEMB-UHFFFAOYSA-N 205.301 2.771 0 40 BFAB CSc1ccc(CN(CCN)C(C)C)cc1 79420459 CNIBAITVNGXRTL-UHFFFAOYSA-N 238.400 2.578 0 40 BFAB CCCCC(=O)N1CCN(C)Cc2ccccc21 89950114 JEWJSNSVFCZZGT-UHFFFAOYSA-N 246.354 2.655 0 40 BFAB C[C@@H](NCCCn1cccn1)c1cccc(F)c1 95419840 FLFPOTAWUIZBMF-GFCCVEGCSA-N 247.317 2.763 0 40 BFAB CCc1ocnc1C(=O)N1CCC[C@@H]2CCC[C@@H]21 95961475 LAQCBEDXJHOIOM-QWRGUYRKSA-N 248.326 2.642 0 40 BFAB Cc1cc(C)c(C=O)c(OCC2CC2)c1 96526207 IUAWSERVAVBDHZ-UHFFFAOYSA-N 204.269 2.905 0 40 BFAB Cc1ccc([C@H](C)N[C@@H](C)c2nnc(C)o2)o1 182569645 CKUMTQYWJNBSHV-IUCAKERBSA-N 235.287 2.691 0 40 BFAB CC(C)CC(=O)CC(=O)Nc1ccccc1 201150737 MVTLUILJLOMIKI-UHFFFAOYSA-N 219.284 2.630 0 40 BFAB Cc1cn[nH]c1[C@H]1CCN(Cc2ccsc2)C1 205688244 HXROWEXTWIZONR-LBPRGKRZSA-N 247.367 2.769 0 40 BFAB CC[C@H](NC(C)=O)c1ccc(OC)c(C)c1 224485032 HVHNKSYGCAMYDT-LBPRGKRZSA-N 221.300 2.591 0 40 BFAB C[C@H](c1ccccc1)N1CCN[C@@H]2CCC[C@@H]21 225718184 GLGPYQCXXCTFDK-YUELXQCFSA-N 230.355 2.574 0 40 BFAB CC(C)[C@@H](O)CN[C@H](c1ccccn1)C1CCC1 528663343 YOASFLUSSDGBKM-GJZGRUSLSA-N 248.370 2.529 0 40 BFAB CC(=O)Nc1ccc(NC(=O)[C@H]2CC2(C)C)cc1 161223 DKTKFFPWQPSKAM-GFCCVEGCSA-N 246.310 2.630 0 40 BFAB CN(C)C/C=C(\Br)c1ccccc1 162292 LDJJCNFLMAYZKB-FLIBITNWSA-N 240.144 2.984 0 40 BFAB O=C(CNCc1ccccc1)c1ccccc1 1683750 FSZDUBNALDQPEJ-UHFFFAOYSA-N 225.291 2.659 0 40 BFAB O=C1C[C@@H](c2ccccc2)Cc2ccncc21 3847436 LCEVYMOTODREQX-ZDUSSCGKSA-N 223.275 2.994 0 40 BFAB biogenic c1c2c(cc3sc(N4CCCC4)nc13)OCO2 4137903 GDINJVIMUHTVEQ-UHFFFAOYSA-N 248.307 2.625 0 40 BFAB CCCC(=O)N1CCc2[nH]c3ccccc3c2C1 4283262 QOZDRNWTEGOGFA-UHFFFAOYSA-N 242.322 2.853 0 40 BFAB biogenic CC(=O)O[C@H]1CCSc2ccccc21 5434293 DSAKISLNJIPFJH-JTQLQIEISA-N 208.282 2.787 0 40 BFAB CC(C)NC(=O)c1cc(Cl)c(O)c(Cl)c1 5937450 PFVWGLPRQWZECA-UHFFFAOYSA-N 248.109 2.837 0 40 BFAB Cc1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1C 7638211 QNRXZAYXVFZKQV-ZYHUDNBSSA-N 203.285 2.898 0 40 BFAB Sc1nnc(-c2cccc3ccccc23)[nH]1 9286964 ZFBUMSNXMBBNCT-UHFFFAOYSA-N 227.292 2.914 0 40 BFAB CCc1cc(=O)oc2cc(C)c(C(C)=O)c(O)c12 12296435 KQEUQJGEPXQWAD-UHFFFAOYSA-N 246.262 2.572 0 40 BFAB biogenic Sc1nnc(CCCc2ccccc2)o1 20159275 VGBARPYEHOZJAD-UHFFFAOYSA-N 220.297 2.534 0 40 BFAB CO[C@@H](C(=O)N1CCC(C)CC1)c1ccccc1 20238572 DEIWSWWGFBGSCO-CQSZACIVSA-N 247.338 2.633 0 40 BFAB Cc1onc(/C=C/c2ccc(F)cc2)c1N 22149771 UZOUHPKSLLWSOZ-QPJJXVBHSA-N 218.231 2.875 0 40 BFAB CCCC(=O)N1CCC[C@H]2CCCC[C@H]21 32819484 BYTNUEPPTXRSTN-VXGBXAGGSA-N 209.333 2.968 0 40 BFAB O=C(NCC1CC1)c1cc(Cl)ccc1F 32909820 LYWXYQRUULJKEO-UHFFFAOYSA-N 227.666 2.619 0 40 BFAB Fc1ccc(-c2cnc([C@@H]3CCCN3)o2)cc1 36162574 SGIBHGOHBSAYQQ-NSHDSACASA-N 232.258 2.905 0 40 BFAB CC(C)[C@H](C)N1Cc2cccc(N)c2C1 36683402 CFLRYVYXBQEJDR-JTQLQIEISA-N 204.317 2.629 0 40 BFAB in-vitro CC(C)(C)OC(=O)CNc1ccc(F)cc1 37390657 CJXPMCMRRYUEME-UHFFFAOYSA-N 225.263 2.579 0 40 BFAB CC1(C)[C@@H]2CC[C@@]1(C)[C@@](O)(c1ccccc1)[C@@H]2O 39258468 LBJOLABNGPWNAP-RRCSTGOVSA-N 246.350 2.691 0 40 BFAB CC(C)CO[C@@H](C)C(=O)N[C@H](C)c1ccccc1 40521100 HTAKQRWIYDYUKA-OLZOCXBDSA-N 249.354 2.925 0 40 BFAB C[C@@H](c1cccc(Cl)c1)N1CCC[C@H](N)C1 41027682 BPSRIOXFNLJBPC-GWCFXTLKSA-N 238.762 2.824 0 40 BFAB Clc1ccc(C2=NCCCCCN2)cc1 41124471 CHJSMDQRRGOLJR-UHFFFAOYSA-N 222.719 2.860 0 40 BFAB CC[C@H](C)C(=O)NC[C@H](OC)c1ccccc1 42751156 PTKOUHHFMXRAAI-AAEUAGOBSA-N 235.327 2.536 0 40 BFAB CC[C@@H](C)CNCCOc1ccccc1 42895155 XSBCKVRZUMCPEN-GFCCVEGCSA-N 207.317 2.701 0 40 BFAB Nc1ccc(OCC2CC2)c(Br)c1 43597692 FQQGNWFWCFKJSG-UHFFFAOYSA-N 242.116 2.820 0 40 BFAB CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(C)cc1 46705551 DPLXOJGMBOSQFK-ZMTLZGASSA-N 242.322 2.817 0 40 BFAB Cc1cc(C(=O)O)ccc1-c1ccncc1 47216837 PMVOSLOCKMQPJD-UHFFFAOYSA-N 213.236 2.755 0 40 BFAB CC(C)CC(=O)Nc1cc(C(C)(C)C)n[nH]1 48750470 OFRCVDOWQMCXNT-UHFFFAOYSA-N 223.320 2.692 0 40 BFAB NCc1cc(Oc2ccc(F)c(F)c2)ccn1 51571309 OKUZRRQBMKHVKY-UHFFFAOYSA-N 236.221 2.611 0 40 BFAB CCCC(=O)Nc1ccc2c(c1)CCCN2 54107613 AZJAOKPQAOHZAX-UHFFFAOYSA-N 218.300 2.783 0 40 BFAB Cc1cnn([C@H](C)[C@@H](C)NC2CCCC2)c1 69459573 WOMVUBFQIYZZAD-VXGBXAGGSA-N 221.348 2.673 0 40 BFAB CCOCC(=O)N[C@@H](C)c1ccc(Cl)s1 70252450 FAYFSQRHGOJFDQ-ZETCQYMHSA-N 247.747 2.615 0 40 BFAB C[C@H]1CCCCCN1C(=O)c1ccc(N)cc1 70407846 NQEMQZDJINTXTK-NSHDSACASA-N 232.327 2.674 0 40 BFAB Cc1ccnc([C@H]2CCCN2C(C)C)c1 72211186 CGBTZIIAOGEYPR-CYBMUJFWSA-N 204.317 2.935 0 40 BFAB Cc1ccccc1-c1nc(-c2cnccn2)no1 84511513 YWIMMQZWVZHXRX-UHFFFAOYSA-N 238.250 2.502 0 40 BFAB CCOC(=O)CSCc1ccccc1F 98069981 IAESRCMGBJQTDZ-UHFFFAOYSA-N 228.288 2.622 0 40 BFAB NC(=O)Cc1ccccc1-c1ccccc1F 118794564 MWAPNZXZUGCADE-UHFFFAOYSA-N 229.254 2.521 0 40 BFAB CCC[C@@H](C)NC(=S)Nc1cccnc1 225384468 XLISWUCXTPJCAX-SECBINFHSA-N 223.345 2.557 0 40 BFAB CC1CN(Cc2cc3cc(Cl)cnc3o2)C1 648563279 HUXVAQRCVSCZSZ-UHFFFAOYSA-N 236.702 2.933 0 40 BFAB Cc1ccc([C@@H]2N[C@H]2c2ccccn2)cc1 1611066 JMKOGXJOGSKACY-KBPBESRZSA-N 210.280 2.776 0 40 BFAB Cc1cc2ccccc2n1CC(=O)N1CCCC1 1643124 QIXUHQMNXSNWHO-UHFFFAOYSA-N 242.322 2.572 0 40 BFAB CCCOc1ccc(CC(=O)O)cc1Cl 3871464 QEJHPAGTOOIBFT-UHFFFAOYSA-N 228.675 2.756 0 40 BFAB in-vivo CCO[C@H]1OCCC[C@H]1[C@H](OCC)C(C)C 4428912 KZNCHPMMDTVWNG-XQQFMLRXSA-N 230.348 2.837 0 40 BFAB CC(C)CCOC(=O)[C@@H]1C[C@@H]2C=C[C@H]1C2 5049284 DHOOHGZXAASGHL-GRYCIOLGSA-N 208.301 2.788 0 40 BFAB CC1=Cc2ccccc2[C@@H]1NCC(C)(C)C(=O)O 8730699 RBGGUEZBDRIZGV-CYBMUJFWSA-N 245.322 2.845 0 40 BFAB O=C1C[C@@H](c2ccc(Cl)cc2)Cc2[nH]ncc21 10156784 HUWOFRGMDSDKAZ-VIFPVBQESA-N 246.697 2.976 0 40 BFAB OC[C@@H]1CCCN(c2nc3ccccc3s2)C1 14235579 VCSQMSVLVVGIPJ-SNVBAGLBSA-N 248.351 2.505 0 40 BFAB Cc1nn(-c2nc3ccccc3o2)c(O)c1Cl 14607842 FTFOECRQZRFACG-UHFFFAOYSA-N 249.657 2.681 0 40 BFAB CC12CN3CC(C)(CN(C1)C3C1CCCC1)C2 19330140 ZKHXDVJFFSPXFK-UHFFFAOYSA-N 234.387 2.550 0 40 BFAB biogenic CC(C)C[C@H](C)NC(=O)c1cccs1 19881380 YAUJEFWVBJVRAG-VIFPVBQESA-N 211.330 2.913 0 40 BFAB Cn1cc(-c2cccc3ccccc23)c(=O)n1C 20064360 YRDCKCLULPXDIR-UHFFFAOYSA-N 238.290 2.544 0 40 BFAB c1csc(CNCCCN2CCCCC2)c1 20128727 ZHGNXNYMMQBMPE-UHFFFAOYSA-N 238.400 2.714 0 40 BFAB O=C(NCc1ccc(Cl)s1)c1ccoc1 25524254 MQCOWFBNORZYTG-UHFFFAOYSA-N 241.699 2.925 0 40 BFAB CC1(C)C[C@@H]2[C@@H]1CC[C@]1(C)C[C@@]2(O)CC[C@H]1O 31861484 SFJOMLIUSIKKRA-PRSHDEELSA-N 238.371 2.725 0 40 BFAB biogenic O=C(O)c1cc2c(n1Cc1ccccc1)CCC2 34147153 OTBPAULHOBIMNN-UHFFFAOYSA-N 241.290 2.723 0 40 BFAB Nc1nnc(-c2cc(Cl)sc2Cl)o1 34936066 KHVAKNVBHVGVCR-UHFFFAOYSA-N 236.083 2.687 0 40 BFAB Cc1cc2c(cc(C(=O)O)n2C(C)C)o1 35312753 KEEDWAJCFWBCHD-UHFFFAOYSA-N 207.229 2.822 0 40 BFAB OCc1cc(Cl)ccc1OCC1CC1 36765464 LTHOOMVEJZUBNB-UHFFFAOYSA-N 212.676 2.621 0 40 BFAB in-vitro COc1cccc(-c2ccc3c(c2)NC(=O)C3)c1 39042337 IRQBUMYFAYXEGV-UHFFFAOYSA-N 239.274 2.857 0 40 BFAB CN(C)c1cc(Cl)c2ccccc2n1 39245341 VENWJRWTKNUVSK-UHFFFAOYSA-N 206.676 2.954 0 40 BFAB CC(C)C(=O)N1CCC(c2nccs2)CC1 40623308 RFDYAZNWNYZSDQ-UHFFFAOYSA-N 238.356 2.505 0 40 BFAB C[C@H](NC(=O)CC(F)(F)F)c1ccc(F)cc1 43071822 FJIMPMHUVNUZRD-ZETCQYMHSA-N 249.207 2.955 0 40 BFAB COc1cccc(-c2c[nH]c(=S)[nH]2)c1 43201973 NAHCKRAVJDCJKM-UHFFFAOYSA-N 206.270 2.748 0 40 BFAB OC1(c2ccc(Cl)c(Cl)c2)CCNCC1 55189672 CHFUSNXDQCWMGF-UHFFFAOYSA-N 246.137 2.564 0 40 BFAB N[C@@H](Cc1nccn1C(F)F)c1ccccc1 57218575 KXVWBHWBHHBOFJ-JTQLQIEISA-N 237.253 2.521 0 40 BFAB in-vitro CCCN[C@@H]1C[C@@H](OCC)C12CCCC2 68577389 PXXQEHOZPYIFER-VXGBXAGGSA-N 211.349 2.724 0 40 BFAB in-vitro O=C(O)c1ccc(SC(F)(F)F)o1 68983888 UOVMUFPUISRTAW-UHFFFAOYSA-N 212.148 2.590 0 40 BFAB CCCN1CCC[C@@H]1c1ccc(N)nc1C 72218561 CWLWQZFHGWPTTP-GFCCVEGCSA-N 219.332 2.519 0 40 BFAB CNc1ccc([C@@H](O)c2ccccc2)c(C)n1 72224103 DOCYCEDZMJRQRK-AWEZNQCLSA-N 228.295 2.513 0 40 BFAB CCCN(CCC)c1ccc(CCO)c(C)n1 72224344 JVNKYVDZDFKQEL-UHFFFAOYSA-N 236.359 2.551 0 40 BFAB Cc1nc(C2(NCC3CCCC3)CCCC2)no1 75827812 BMHXGMFWQOBLDM-UHFFFAOYSA-N 249.358 2.927 0 40 BFAB CCNc1nc(Cl)ncc1C(F)(F)F 79066987 JVTILYHKZALRDI-UHFFFAOYSA-N 225.601 2.581 0 40 BFAB CN(c1ccc(O)cc1)c1cccnc1 82714418 VTKXPUCQVUMUOT-UHFFFAOYSA-N 200.241 2.555 0 40 BFAB CCOCC[C@H](CC)CNC1CCCC1 85396103 HVFJZEDGESSUBS-LBPRGKRZSA-N 213.365 2.971 0 40 BFAB COCCSCc1c(C)nc2ccccn12 89547725 ABMDHDZXXUFLES-UHFFFAOYSA-N 236.340 2.522 0 40 BFAB COc1cc(SC)c(Br)cn1 90413351 FSPYYPKOZLSHFA-UHFFFAOYSA-N 234.118 2.575 0 40 BFAB O=[S@]1OC2(CCCCC2)c2ccsc21 96194117 PVYBCRKFDFFINQ-CQSZACIVSA-N 228.338 2.960 0 40 BFAB CC(C)(C)OC(=O)NCC1(N)CCCCCC1 96295496 WNAQQRQFNWOQHE-UHFFFAOYSA-N 242.363 2.563 0 40 BFAB COC(=O)c1cc(OC2CCCC2)cs1 96511053 ISDKMJDJSCLUPX-UHFFFAOYSA-N 226.297 2.856 0 40 BFAB Cc1cc(CN(C)Cc2cccnc2)c(C)o1 97113588 ZUAXQRVHGITWOZ-UHFFFAOYSA-N 230.311 2.923 0 40 BFAB Cc1occc1[S@@](=O)CCc1ccccc1 189610177 PYSFZGSYFSBZEX-INIZCTEOSA-N 234.320 2.938 0 40 BFAB Cc1ccc([S@@](=O)CCCOC(C)C)cc1 195579554 NCNTUCBKPCDAER-INIZCTEOSA-N 240.368 2.918 0 40 BFAB Cc1cn[nH]c1[C@@H]1CCCCN1CC1CC1 205688080 XUFXUPIHKOPARP-LBPRGKRZSA-N 219.332 2.655 0 40 BFAB COc1c(F)cccc1C(=O)CCSC 382705788 FKNMVVBGSMSSJP-UHFFFAOYSA-N 228.288 2.770 0 40 BFAB Cc1cn(-c2ccccc2N)nc1C(F)(F)F 575441638 QHJYQJLGHWSUNO-UHFFFAOYSA-N 241.216 2.782 0 40 BFAB O=C1c2cccc(Br)c2[C@@H]2C[C@H]12 1857793708 PZLKGKLADWXNKJ-RQJHMYQMSA-N 223.069 2.749 0 40 BFAB CC[C@@]1(C)Cc2ccccc2C2=[N+]1CCS2 88547 GKLSVZLNNNANJL-AWEZNQCLSA-N 232.372 2.917 0 40 BFAB CC(C)[C@H]1OC[C@@H]2Cc3ccccc3[C@@H]2O1 192025 NOBNLHDWQDMAEA-YUTCNCBUSA-N 218.296 2.929 0 40 BFAB CCc1ccccc1NC(=O)c1snnc1C 385474 CXLPURQHRMBSJU-UHFFFAOYSA-N 247.323 2.661 0 40 BFAB CCOc1cc(C)nc(NCc2ccccc2)n1 524447 HOHGUKJHKAEVRS-UHFFFAOYSA-N 243.310 2.796 0 40 BFAB COC(=O)c1nc(-c2ccc(C)cc2)oc1S 1277910 DELDXICJODNSEN-UHFFFAOYSA-N 249.291 2.725 0 40 BFAB CCOc1cnc(Cc2ccccc2)o1 1382611 LNWIFVRCYQEDGD-UHFFFAOYSA-N 203.241 2.664 0 40 BFAB COc1ccc(-c2n[nH]cc2C)cc1F 1396359 KPUCKYWPTNWIMH-UHFFFAOYSA-N 206.220 2.533 0 40 BFAB O=C(c1ccc(Cl)cc1)c1cnc2n1CCC2 1781181 PYJIJURLQOREJT-UHFFFAOYSA-N 246.697 2.714 0 40 BFAB CC(C)CN1C(=O)c2cccc(Cl)c2C1=O 3100091 UYOOIZJLDNVBIM-UHFFFAOYSA-N 237.686 2.592 0 40 BFAB CCCc1ccc(OC)c(OC(C)=O)c1 3175594 RTQFYHPMVBYLMZ-UHFFFAOYSA-N 208.257 2.573 0 40 BFAB Cc1cc(N)n(-c2cccc(C(F)(F)F)c2)n1 3885417 DAAKMPQKHLKAHN-UHFFFAOYSA-N 241.216 2.782 0 40 BFAB CN[C@@H](C)Cc1c2c(cc3c1CCC3)CCC2 4128890 XGQVVLYMEYREAZ-NSHDSACASA-N 229.367 2.814 0 40 BFAB CCOc1cc(OCC)c2c(C)cc(=O)oc2c1 4309823 FQDLUZABRJIJMO-UHFFFAOYSA-N 248.278 2.899 0 40 BFAB biogenic C[C@@H]1C[C@H](C[C@H]2CC[C@H](N)[C@H](C)C2)CC[C@@H]1N 4538054 IGSBHTZEJMPDSZ-JNWWKETESA-N 238.419 2.904 0 40 BFAB CC(C)c1ccc(C(=O)n2cccn2)cc1 5384764 ZTVRPTRAYMYDDM-UHFFFAOYSA-N 214.268 2.695 0 40 BFAB CCCN1C(=O)S/C(=C/c2ccncc2)C1=O 6324002 SGIZZQKMDAUFPA-CSKARUKUSA-N 248.307 2.528 0 40 BFAB CC[C@@H](C)NC(=O)[C@H](C)Oc1ccc(C)cc1C 8041537 VQVXETFYVURVLR-OLZOCXBDSA-N 249.354 2.985 0 40 BFAB Cc1cnc(C(=O)Nc2c(C)cccc2C)cn1 8748061 QJGIBNWQNJYQSH-UHFFFAOYSA-N 241.294 2.654 0 40 BFAB CCc1c(C)c2c(O)cc(C)cc2oc1=O 11765935 BLOCSYJJIPXPSA-UHFFFAOYSA-N 218.252 2.678 0 40 BFAB CC1=C(c2ccc(C)cc2)[N+](=O)C(C)(C)N1O 13151339 FIFFAJBMBBIXHW-UHFFFAOYSA-N 233.291 2.903 0 40 BFAB O=C(CCc1cccnc1)Nc1ccccc1 13283701 KOMRTXIUMQIGRR-UHFFFAOYSA-N 226.279 2.653 0 40 BFAB O=C(CCSCc1ccccc1)NC1CC1 13687977 UDGUBBLSXVDAQM-UHFFFAOYSA-N 235.352 2.589 0 40 BFAB CCC[C@@H](C)C(=O)N1C[C@H](C)C[C@@H](C)C1 15856414 SXNGFYCOKWTRKW-IJLUTSLNSA-N 211.349 2.927 0 40 BFAB c1ccc2c(c1)CC[C@@]1(CCCNCC1)O2 19375289 WJFMZRINBAXIJB-CQSZACIVSA-N 217.312 2.524 0 40 BFAB Nc1cc(-c2ccc(OC(F)F)cc2)no1 20078650 HQVFPPUOUJQDPU-UHFFFAOYSA-N 226.182 2.525 0 40 BFAB in-vitro C[C@@H](NC(C)(C)C)C(=O)c1ccccc1 33852021 JQNSRSIGKZYQAA-SNVBAGLBSA-N 205.301 2.646 0 40 BFAB in-vivo CCNCc1ccccc1O[C@@H](C)CC 34658629 NYCAHJCRVKCLDY-NSHDSACASA-N 207.317 2.973 0 40 BFAB CCCNCc1csc(-c2ccccn2)n1 35054584 CBCRTLAADHUYHW-UHFFFAOYSA-N 233.340 2.705 0 40 BFAB OCCCCOc1cccc(Br)c1 35650246 OLSCCVCNHXJADN-UHFFFAOYSA-N 245.116 2.600 0 40 BFAB Cc1ccc([C@H](CN)N2CCC[C@H](C)C2)cc1 38827564 VZNUIVSRDUUPPL-ZFWWWQNUSA-N 232.371 2.727 0 40 BFAB CC(C)CCC(=O)N[C@H](C)Cc1ccco1 40510241 ZYNZQCPQCAYDDR-LLVKDONJSA-N 223.316 2.763 0 40 BFAB Clc1nc(-c2ccncc2)nc2c1CCC2 42400209 XIGLFRAOBNYSAT-UHFFFAOYSA-N 231.686 2.681 0 40 BFAB in-vitro CC1(C)[C@H]2CC=C(Br)[C@@H](O)[C@@H]1C2 43762138 PFZOIQPVBHYHBX-ZKWXMUAHSA-N 231.133 2.692 0 40 BFAB CNC(=O)N[C@H]1CC(C)(C)Cc2oc(C)cc21 47717418 QRTIJDNZKAYSBZ-JTQLQIEISA-N 236.315 2.531 0 40 BFAB CC(C)NC(=O)Nc1ccc2c(c1)CCCN2C 49134244 AOBXPLSESPDPQF-UHFFFAOYSA-N 247.342 2.599 0 40 BFAB Cc1ccc(F)cc1[C@H](O)c1ccco1 55204591 BDGGGZRAAOVUTP-LBPRGKRZSA-N 206.216 2.809 0 40 BFAB CCCCC(=O)Nc1cc(OC)cc(OC)c1 59267039 DEJDBEOHXJPAJM-UHFFFAOYSA-N 237.299 2.833 0 40 BFAB O[C@H](c1ccoc1)c1cc(F)cc(F)c1 70533616 QZCWDUZIYZKZLI-LLVKDONJSA-N 210.179 2.640 0 40 BFAB CCNc1ccc([C@@H]2CCCN2CC)cn1 72213065 RRRMCYJDEXKMIX-LBPRGKRZSA-N 219.332 2.670 0 40 BFAB C[C@@H]1c2cccn2CCN1C(=O)/C=C/C(C)(C)C 72275269 ZQWDAGWOSUKDGQ-ABZNLYFFSA-N 246.354 2.994 0 40 BFAB Cc1cnn(Cc2cc(-c3ccccc3)no2)c1 76062603 JYBMZKMQODJGDC-UHFFFAOYSA-N 239.278 2.895 0 40 BFAB FC(F)(c1ccccn1)c1ccccn1 77011795 XPAVCQLTPWEBHR-UHFFFAOYSA-N 206.195 2.617 0 40 BFAB CC(C)C(=O)N1CCSC2(CCCCC2)C1 79634641 VFDMHBWQFVJXST-UHFFFAOYSA-N 241.400 2.921 0 40 BFAB Cc1c(C(=O)O)cccc1-c1ccccn1 83255312 JMXMNHHISPYCJY-UHFFFAOYSA-N 213.236 2.755 0 40 BFAB in-vitro NCc1ccc(C(=O)Cc2ccc(F)cc2)cc1 95917834 VDEGALPOSNGJLK-UHFFFAOYSA-N 243.281 2.710 0 40 BFAB Cc1ccsc1-c1nc(-c2cnccn2)no1 96460646 ACAHVPUHQDDCDI-UHFFFAOYSA-N 244.279 2.564 0 40 BFAB COC(=O)c1sc(Cl)cc1OC(F)F 96510899 FTAZCYFBFGSMHC-UHFFFAOYSA-N 242.630 2.790 0 40 BFAB C[C@H]1SCCN(C(=O)c2ccsc2)[C@@H]1C 98010484 GDJVJNCMOWJSRA-RKDXNWHRSA-N 241.381 2.714 0 40 BFAB CCCc1cc(O)n2c(n1)nc1ccccc12 100476163 QLWZYIIEGGTQMC-UHFFFAOYSA-N 227.267 2.541 0 40 BFAB CCN1CCC[C@@H](CNC[C@H]2CC=CCC2)C1 120519416 QHASYNVYRJRCPZ-GJZGRUSLSA-N 236.403 2.664 0 40 BFAB Fc1cc(Cl)cnc1NCC(F)F 133760346 NDPYLIVBCSAGIL-UHFFFAOYSA-N 210.586 2.551 0 40 BFAB NCC1(c2cccc(Cl)c2F)CCC1 169270162 BYCOIGNXADZCIC-UHFFFAOYSA-N 213.683 2.860 0 40 BFAB CCOc1ccc(-n2cccc2C(=O)OC)cc1 223737102 KXNLXFATDAZOPQ-UHFFFAOYSA-N 245.278 2.663 0 40 BFAB COc1nc2cc(SC)ccc2cc1C=O 224967976 WKECSPCZDDYDJO-UHFFFAOYSA-N 233.292 2.778 0 40 BFAB COc1cc(O)cc(O)c1CC=C(C)C 238394615 YABZUKIWPGAYGP-UHFFFAOYSA-N 208.257 2.615 0 40 BFAB biogenic,in-vitro FC(F)(F)c1n[nH]c2cnc(Cl)cc12 238580252 AFSGBUWTLJSMGS-UHFFFAOYSA-N 221.569 2.630 0 40 BFAB O=C(c1ccc(Cl)c(Cl)n1)C1CC1 242648769 RGOOOIOITJSGTB-UHFFFAOYSA-N 216.067 2.981 0 40 BFAB Cc1c(NCc2ccccc2)cnn1CCF 256052787 OQYGIQWNCFHSSG-UHFFFAOYSA-N 233.290 2.773 0 40 BFAB O=C(c1ccc(OC(F)F)cc1)C(F)F 308807267 PDFRUWDUARQXTA-UHFFFAOYSA-N 222.137 2.736 0 40 BFAB CCn1nc(C)c(Br)c1C(F)F 408717153 WJGBACYAJPCDNS-UHFFFAOYSA-N 239.063 2.912 0 40 BFAB Cc1c(-c2cc(N)c3ccccc3n2)cnn1C 1548919442 VUYBRLBSDPMNQA-UHFFFAOYSA-N 238.294 2.526 0 40 BFAB COC(=O)c1sc(-c2cccs2)cc1N 116168 CFHYAXQWEYGRTM-UHFFFAOYSA-N 239.321 2.845 0 40 BFAB Cc1csc(NC(=O)Cc2ccccc2)n1 563269 YUZOFWPNYHCMMW-UHFFFAOYSA-N 232.308 2.633 0 40 BFAB in-vivo O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc(F)cc1 619209 XDAXZWOFMILOJN-UFGOTCBOSA-N 233.286 2.744 0 40 BFAB Cc1cccnc1NC(=O)NC1CCCCC1 1516948 GKLUEVYCSBYWMZ-UHFFFAOYSA-N 233.315 2.844 0 40 BFAB O=C(NCCCCc1ccccc1)C1CC1 2080127 RRXJEUMJDBXJJT-UHFFFAOYSA-N 217.312 2.536 0 40 BFAB C[C@@H]1CCC2(CCN(CCCN(C)C)CC2)C1 4958226 QGHXAGOEEIKNCZ-CQSZACIVSA-N 238.419 2.840 0 40 BFAB CC(=O)CCN(C)[C@@H](C)Cc1ccccc1 6487311 BLNTYGUDWBLSNZ-LBPRGKRZSA-N 219.328 2.529 0 40 BFAB O=C(Nc1ccccc1CO)NC1CCCCC1 6884554 UJCKPTOSANOBLN-UHFFFAOYSA-N 248.326 2.633 0 40 BFAB O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)C1CCCCC1 13716901 QLUAISSKUYNJKR-UHTWSYAYSA-N 221.344 2.872 0 40 BFAB c1ccc2c(O[C@H]3CCCNC3)cccc2c1 14631780 ZKHVEMXTPDLCNY-ZDUSSCGKSA-N 227.307 2.971 0 40 BFAB COc1cccc(NCc2ccccn2)c1 19964203 TUSYFZJQDRMMQA-UHFFFAOYSA-N 214.268 2.702 0 40 BFAB Brc1nccn1Cc1ccccc1 32500030 KQCACPNUWPQBMF-UHFFFAOYSA-N 237.100 2.694 0 40 BFAB C[C@H]1C[C@@H]1C(=O)N1CCSc2ccccc21 32997911 ADUTZESNAHBXLO-UWVGGRQHSA-N 233.336 2.781 0 40 BFAB COc1ccc([C@@H](O)c2ccc(C)o2)cc1 34514276 JSPASXNRZBPUGV-CYBMUJFWSA-N 218.252 2.678 0 40 BFAB COc1ccccc1C(=O)COc1ccccc1 35183890 GXRXANDDGXATAL-UHFFFAOYSA-N 242.274 2.957 0 40 BFAB COc1ccc(Oc2ccccn2)cc1 35904703 SVGHZNXEHFPGSF-UHFFFAOYSA-N 201.225 2.883 0 40 BFAB O=C1[C@H]2CC[C@H](C2)C(=O)[C@@H]2C[C@H]1c1ccccc12 39259101 YRSJNRIOPYFJRB-IOQCUFBNSA-N 240.302 2.826 0 40 BFAB CC(=O)c1cccc(O[C@@H]2CCCCO2)c1 39378112 IOKYUUIONLXUFW-CYBMUJFWSA-N 220.268 2.795 0 40 BFAB CC(C)C(=O)Nc1nc(C(F)(F)F)cs1 40514160 ADVHVINFYDXKIB-UHFFFAOYSA-N 238.234 2.756 0 40 BFAB COc1cc(Cl)c2nc(N)sc2c1 45237650 YJUOEUURDAGAQM-UHFFFAOYSA-N 214.677 2.541 0 40 BFAB CN(C)c1c(N)cc(Br)cc1Cl 45958919 MHSJZDAAEFQHQH-UHFFFAOYSA-N 249.539 2.751 0 40 BFAB C[C@@H](SCc1ccccc1)C(=O)N1CCCC1 46804272 DATUQKZZDYMWPY-GFCCVEGCSA-N 249.379 2.931 0 40 BFAB NCc1cccn1Cc1ccc(Cl)cc1 49453086 UPBUCBLDEJQCMF-UHFFFAOYSA-N 220.703 2.649 0 40 BFAB Cc1cc(-c2ccc(C)c(C)c2)nc(N)n1 52837964 TVSLSEDSXAIBLW-UHFFFAOYSA-N 213.284 2.651 0 40 BFAB CC[C@@H](C)C(=O)Nc1ccc(F)cc1OC 58355417 OQIOOONRCUUGLB-MRVPVSSYSA-N 225.263 2.819 0 40 BFAB Cc1cc(CSc2nc(C)c(C)o2)no1 58760651 NLHFHKNKZUCJFL-UHFFFAOYSA-N 224.285 2.880 0 40 BFAB FC(F)(F)Oc1ccc([C@@H]2NCCS2)cc1 60095384 HHPRGKSEVFESNQ-SECBINFHSA-N 249.257 2.920 0 40 BFAB CC(=O)N1CCC[C@@H](COc2cccc(C)c2)C1 62555678 NDYJQEDNRTUERW-CQSZACIVSA-N 247.338 2.632 0 40 BFAB C[C@H](O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl 62713890 VQOQDOFTPMLQDE-FXQIFTODSA-N 214.667 2.963 0 40 BFAB C[C@@H](O)[C@@H]1C[C@@H]1c1ccc(Br)cc1 62713983 WWMCQKXSZNIITD-PPKCKEKNSA-N 241.128 2.933 0 40 BFAB Cc1cc(C[S@@](=O)Cc2ccccc2C)no1 64811582 GLWDDSMCROCQQW-QGZVFWFLSA-N 249.335 2.740 0 40 BFAB CCSc1nc2ccc(-n3cnnc3)cc2o1 65433064 NZGQQLOFKHPVSH-UHFFFAOYSA-N 246.295 2.521 0 40 BFAB COc1ccc(-c2n[nH]cc2C=O)cc1Cl 68561932 ASGUODFIAVYWLG-UHFFFAOYSA-N 236.658 2.551 0 40 BFAB CCNC(=O)c1cc2c(s1)CC[C@@H](C)C2 69296583 ATLMBSQEQQLIGG-MRVPVSSYSA-N 223.341 2.623 0 40 BFAB Nc1ccncc1-c1ccc(F)cc1F 69841286 BISNTZPLYSGIDC-UHFFFAOYSA-N 206.195 2.609 0 40 BFAB CCN1CCCC[C@@H]1c1ccc(O)nc1C 72218216 BBDDJGVVYGISLQ-GFCCVEGCSA-N 220.316 2.643 0 40 BFAB Cc1cc(CCO)cnc1Oc1ccccc1 72222133 YATJVHJKPALOOS-UHFFFAOYSA-N 229.279 2.717 0 40 BFAB OCCCCCCN1CCCc2ccccc21 75105451 ADJJZHISIWJQRM-UHFFFAOYSA-N 233.355 2.992 0 40 BFAB CC[C@@H](c1ccccc1)N(CCO)C(C)C 79421144 UMFJFXVOSBORQH-AWEZNQCLSA-N 221.344 2.840 0 40 BFAB O=C1Cc2c(Br)ccc(Cl)c2N1 86569817 XIFTVVBPHKXVIO-UHFFFAOYSA-N 246.491 2.597 0 40 BFAB C[C@H]1CCC[C@H](OCC(=O)N2CCCCC2)C1 89927336 AMKNCCICPVHDHK-STQMWFEESA-N 239.359 2.594 0 40 BFAB Cc1cc(OCCC(C)C)ccc1CCO 95739547 BLNMBVMJIVCRMN-UHFFFAOYSA-N 222.328 2.955 0 40 BFAB c1ccc(-c2nnc(-c3ccncc3)s2)nc1 199409377 WUVKRSKKKJPUGN-UHFFFAOYSA-N 240.291 2.662 0 40 BFAB Cc1ccc(-c2noc(-c3ccco3)n2)cc1N 225174912 LVTVRJBRTYPQMF-UHFFFAOYSA-N 241.250 2.887 0 40 BFAB Cc1c(NCc2ccc(F)s2)cnn1C 256051635 JYXKMWVBKDYWRC-UHFFFAOYSA-N 225.292 2.541 0 40 BFAB O=C(C1CCCCC1)N1CCC(F)(F)CC1 575608041 YVKNECXAZQGXSN-UHFFFAOYSA-N 231.286 2.824 0 40 BFAB CCc1c(C(C)C)[nH]c2c(O)cccc2c1=O 685938186 FMSAHFKXAOHOFU-UHFFFAOYSA-N 231.295 2.920 0 40 BFAB NOc1ccccc1OCc1ccccc1 2362797527 SGEFQGHIQXEYBZ-UHFFFAOYSA-N 215.252 2.518 0 40 BFAB CN(C)c1ccc([C@H](O)c2cccs2)cc1 54668 IHKZCVPNQIENBH-ZDUSSCGKSA-N 233.336 2.896 0 40 BFAB Cc1ccc(CNC(=O)Nc2ccccc2)n1C 157984 SUUBEGNKDYAZJH-UHFFFAOYSA-N 243.310 2.655 0 40 BFAB O=C(Nc1ccccc1)c1ccc2nccnc2c1 440584 NLGWQTUUEDEIQE-UHFFFAOYSA-N 249.273 2.882 0 40 BFAB CC(=O)NCCc1ccc(Cl)c(Cl)c1 1614587 KEMOGDICBDSIKK-UHFFFAOYSA-N 232.110 2.672 0 40 BFAB COc1ccccc1-c1csc([C@@H](C)N)n1 3708671 QRHIXLMWXPHWMA-MRVPVSSYSA-N 234.324 2.838 0 40 BFAB CCN1C(=O)c2ccccc2NC12CCCC2 4054731 ZYRVQFHGTMUACN-UHFFFAOYSA-N 230.311 2.845 0 40 BFAB Cc1cc(-c2cc(C(=O)O)n[nH]2)ccc1Cl 6849031 DOURQYNJNHGVSM-UHFFFAOYSA-N 236.658 2.737 0 40 BFAB O=C(OCC1CCCCC1)c1ccc(CO)cc1 8075337 LPIQVOIPWGNSCY-UHFFFAOYSA-N 248.322 2.916 0 40 BFAB COc1ccc(Cn2c(C)cc(C=O)c2C)cc1 9261738 SALPFVUGCUCZKM-UHFFFAOYSA-N 243.306 2.974 0 40 BFAB Cc1ccc([C@H](N)c2ccncc2)c(C)c1 11737352 GCSAYVGGNLEYAY-CQSZACIVSA-N 212.296 2.747 0 40 BFAB CC(C)[C@](O)(c1ccccc1)c1ccncc1 12653762 UGHCUUQCWWWPCE-HNNXBMFYSA-N 227.307 2.974 0 40 BFAB Cc1cc(C(=O)NC(C)C)c2ccccc2n1 12972750 VRNNNRKUWHLQIB-UHFFFAOYSA-N 228.295 2.681 0 40 BFAB COc1ccc(NC(=O)c2cccs2)cc1N 13608987 STGXGWTVIRUATG-UHFFFAOYSA-N 248.307 2.591 0 40 BFAB Oc1[nH]c(=S)nc2c(-c3ccccc3)c[nH]c12 15828641 PBKWDXLDBPRYIF-UHFFFAOYSA-N 243.291 2.993 0 40 BFAB Cc1cc(O[C@H](C)C(=O)O)cc(C(C)C)c1 21952281 DLYAUKNSQGGWSV-SNVBAGLBSA-N 222.284 2.970 0 40 BFAB NCc1cccc(COC2CCCC2)c1 22211846 BIFXUMFESRNNRN-UHFFFAOYSA-N 205.301 2.605 0 40 BFAB Brc1cccc2c1NCCC2 22216611 CGKLHAZLSZWPPY-UHFFFAOYSA-N 212.090 2.807 0 40 BFAB in-vitro CCOC(=O)c1cc(-c2ccccc2C)on1 26547647 AFRCGAZFRVEOLY-UHFFFAOYSA-N 231.251 2.827 0 40 BFAB CC(C)(CN)c1ccccc1Br 33487057 VKIIPNMFKYLRKM-UHFFFAOYSA-N 228.133 2.685 0 40 BFAB in-vitro COC(=O)C[C@@H](C)n1cnc2cc(C)c(C)cc21 35741160 YJDPLHGKCPLDPB-LLVKDONJSA-N 246.310 2.777 0 40 BFAB Cc1nc(-c2cccc(Cl)c2)[nH]c(=O)c1C 37947668 WRSDRBAUGSJEBN-UHFFFAOYSA-N 234.686 2.707 0 40 BFAB CCC(=O)N1CCC[C@H]1c1cccs1 40459876 XEQQGHDKJMVJLT-VIFPVBQESA-N 209.314 2.822 0 40 BFAB CCC(C)(C)NC(=O)CCc1ccc(OC)cc1 42140083 WOTRFXZJUUJMOX-UHFFFAOYSA-N 249.354 2.933 0 40 BFAB CC(C)c1noc(CN(C)C2CCCCC2)n1 42244065 YRQFXENHEBBOTR-UHFFFAOYSA-N 237.347 2.958 0 40 BFAB CN(Cc1nc(C2CC2)no1)C1CCCCC1 43999619 GRVQNELNEZEMJD-UHFFFAOYSA-N 235.331 2.712 0 40 BFAB Cc1cc(NC(=O)CC2CCCCC2)[nH]n1 47232149 HZYIYCPOYUFQLQ-UHFFFAOYSA-N 221.304 2.627 0 40 BFAB O=C(O)C1(Cc2cccc(Cl)c2)CC1 49814834 XODDTKHUOWEVSA-UHFFFAOYSA-N 210.660 2.747 0 40 BFAB in-vitro COc1ccc([C@@H](N)c2nc(C)cs2)cc1 58432139 NOQPOKVPBCXHKJ-LLVKDONJSA-N 234.324 2.508 0 40 BFAB O=C(CCCn1ccnc1)NC1CCCCCC1 69921340 BCFZTGSNUOOTTD-UHFFFAOYSA-N 249.358 2.502 0 40 BFAB CCCn1nnnc1CSc1ccccc1C 72013964 GKFIVIGLBNAMJW-UHFFFAOYSA-N 248.355 2.684 0 40 BFAB O=C(O)c1[nH]c2cccc(F)c2c1Cl 72206748 SOAANERNSRLUNH-UHFFFAOYSA-N 213.595 2.659 0 40 BFAB Cn1c(C(=O)O)c(Cl)c2c(F)cccc21 72206749 LEERCMMMTHKWDG-UHFFFAOYSA-N 227.622 2.669 0 40 BFAB Cc1nc(O)ccc1[C@H]1CCCN1CC(C)C 72218204 LDRCQUSDWKNCML-CYBMUJFWSA-N 234.343 2.889 0 40 BFAB Nc1cc(-c2ccc(Cl)cc2)ccn1 82379990 WLVTUKIFOBRDBJ-UHFFFAOYSA-N 204.660 2.984 0 40 BFAB COc1ccccc1-c1ccc(C=O)c(C)n1 82481459 NHYVJIXCMUBGNL-UHFFFAOYSA-N 227.263 2.878 0 40 BFAB CNCc1c(F)cccc1C(F)(F)F 83344912 JARLBBVPWBXDGY-UHFFFAOYSA-N 207.170 2.564 0 40 BFAB O=C(O)c1ccc(Cc2cccc(F)c2)o1 84012202 ARUCLVDVWQORJA-UHFFFAOYSA-N 220.199 2.708 0 40 BFAB CC(=O)Cc1cc(C)c2cc(F)ccc2n1 95096702 ACSONPRWRPDTCN-UHFFFAOYSA-N 217.243 2.814 0 40 BFAB CCSCC[C@@H](C)NC(=O)c1ccc(C)o1 95962187 KMGSLLRQCDRGGM-SECBINFHSA-N 241.356 2.850 0 40 BFAB Cc1ncsc1C(=O)OC1(C2CC2)CC1 96447597 CBWUEBGFBOWGQC-UHFFFAOYSA-N 223.297 2.551 0 40 BFAB CC1=CC(C)(C)Nc2cc(C(=O)O)ccc21 199742115 BQPZCQCQXGTEPB-UHFFFAOYSA-N 217.268 2.992 0 40 BFAB CC[C@@H](C)C(=O)N[C@H]1CCCC(F)(F)C1 335336421 JDQTUJAOSGIAIM-BDAKNGLRSA-N 219.275 2.727 0 40 BFAB Fc1ccccc1-c1cncc([C@H]2CCCN2)n1 616576787 ZBTZTXLIMGIFBB-GFCCVEGCSA-N 243.285 2.707 0 40 BFAB CC(C)(COC(=O)C(F)(F)F)C(F)(F)F 1083807912 BDFAFEPGZSIRCQ-UHFFFAOYSA-N 238.127 2.680 0 40 BFAB Cn1cnc(-c2ccccc2C(F)(F)F)n1 2362801924 YNKJBBTZOOAYAT-UHFFFAOYSA-N 227.189 2.501 0 40 BFAB Oc1ccc2ncccc2c1Br 1020147 HQEFDTSINGDBKQ-UHFFFAOYSA-N 224.057 2.703 0 40 BFAB CC(C)c1ccc(/C=C2\CCNC2=O)cc1 1581201 MUZZMBJAVRZPSG-UKTHLTGXSA-N 215.296 2.713 0 40 BFAB O=C(CC1(O)CCCCC1)OC1CCCC1 1687948 RABXJVNSGMBEBF-UHFFFAOYSA-N 226.316 2.558 0 40 BFAB in-vitro c1ccc(-n2ccnc2[C@H]2C3CCN2CC3)cc1 2027822 HUQILDYSLYZCSP-CQSZACIVSA-N 239.322 2.639 0 40 BFAB CCSC(SCC)c1cc[nH]n1 4024828 NNRZOGFRXPOOGY-UHFFFAOYSA-N 202.348 2.915 0 40 BFAB CCSc1nnc(C)n1-c1ccc(C)cc1 4354776 CQHHRDCFASUMBI-UHFFFAOYSA-N 233.340 2.996 0 40 BFAB CCOP(=O)(OCC)N1[C@@H](C)C1(C)C 5575799 HWETUXAWLWABHW-PEHGTWAWSA-N 221.237 2.650 0 40 BFAB C/C(=C\CO)CC[C@@H]1OC(C)(C)OC1(C)C 6661645 LIDVLVSPTPJSLW-UQSGXBNBSA-N 228.332 2.635 0 40 BFAB Oc1ccc[n+](Cc2c(F)cccc2Cl)c1 7644107 BFBKNFAWABZNCP-UHFFFAOYSA-O 238.669 2.521 0 40 BFAB O=C(Nc1ccc(N2CCCC2)cc1)C1CC1 10429501 TUOXAHQSZMDTPJ-UHFFFAOYSA-N 230.311 2.635 0 40 BFAB O=C(O)[C@@H](Cc1ccccn1)c1ccc(F)cc1 11570636 GNTKFBQRFBTPAS-ZDUSSCGKSA-N 245.253 2.632 0 40 BFAB C[C@H](NC(=O)c1ccc(F)cc1)c1ccccn1 12545335 XBQZKVCYMCJALN-JTQLQIEISA-N 244.269 2.712 0 40 BFAB C[C@H](NC(=O)c1cccc(F)c1)c1ccccn1 12546121 FTRNVWABSATDAZ-JTQLQIEISA-N 244.269 2.712 0 40 BFAB Cc1ccc(NC(=O)Cc2c(C)noc2C)cc1 12781571 CREQGLYYGRQYTK-UHFFFAOYSA-N 244.294 2.781 0 40 BFAB NC(=S)c1ccccc1OCc1ccccc1 19477293 OBRSOXAABZXCFN-UHFFFAOYSA-N 243.331 2.900 0 40 BFAB Cc1nc(-c2ccc(O)cc2O)cs1 19702806 NJUDUIZRMKGUMZ-UHFFFAOYSA-N 207.254 2.530 0 40 BFAB Cc1ccc(-n2ncc3c2C[C@H](C)CC3=O)cc1 20632917 ONEHZMMPFCXCAH-NSHDSACASA-N 240.306 2.946 0 40 BFAB COc1ccc(OCc2ccccc2)c(N)c1 21954078 BFJKHBVIUYYKHF-UHFFFAOYSA-N 229.279 2.856 0 40 BFAB Cc1cccc(C)c1NC(=O)c1ccncc1N 22073298 ZUBQMQAJJNGJPN-UHFFFAOYSA-N 241.294 2.533 0 40 BFAB Nc1cccc(-c2nc3cccnc3s2)c1 26420618 QRWGZPQIVISXGY-UHFFFAOYSA-N 227.292 2.941 0 40 BFAB Clc1ccccc1COCC1CCNCC1 28522001 VPBAPFSKPAWSGE-UHFFFAOYSA-N 239.746 2.856 0 40 BFAB Cc1nn(C)cc1NC(=O)c1cccc(Cl)c1 32610461 KJWRIJHIBYKQBW-UHFFFAOYSA-N 249.701 2.634 0 40 BFAB CCc1ccc([C@@H](C)NCc2cnn(C)c2)cc1 35009853 VWZXCWCYTSPNES-GFCCVEGCSA-N 243.354 2.833 0 40 BFAB FC(F)(F)c1cnn(-c2ccccc2)c1 36420805 HYMWWLMLKJNRNC-UHFFFAOYSA-N 212.174 2.891 0 40 BFAB C[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)O 40377495 MRVJHZZQDZTGDM-ZETCQYMHSA-N 248.200 2.848 0 40 BFAB Cc1cc(NC(=O)c2ccccc2Cl)[nH]n1 42653300 QDFMFEVTQGGFHE-UHFFFAOYSA-N 235.674 2.624 0 40 BFAB COc1ccc(SC[C@H]2CCCNC2)cc1 43471602 UAXBHFRTLOVVCR-NSHDSACASA-N 237.368 2.787 0 40 BFAB Oc1nc(C(F)(F)F)ccc1-c1ccncc1 47213824 CWIZUHMRLSDKOS-UHFFFAOYSA-N 240.184 2.868 0 40 BFAB C[C@@H](c1nc(-c2ccccc2)no1)N1CCCC1 48368116 DHRTZBNYLAVWHX-NSHDSACASA-N 243.310 2.893 0 40 BFAB O=C(O)C1(Cc2ccccc2Cl)CC1 49814833 QPACAUSGIAGIAZ-UHFFFAOYSA-N 210.660 2.747 0 40 BFAB in-vitro CCCN1CCC[C@@H]1c1ccc(NC)nc1 72212477 OBYGQIHQJHOSIX-GFCCVEGCSA-N 219.332 2.670 0 40 BFAB O=CN1CCCC[C@@H]1c1cnc2ccccc2c1 72219598 UCCNYCNOBOZMEC-OAHLLOKOSA-N 240.306 2.918 0 40 BFAB Cc1cc(Oc2ccccc2)ncc1CN 72223150 VTIIIVGWWULFCW-UHFFFAOYSA-N 214.268 2.641 0 40 BFAB Cc1nc(NCc2ccccc2)ccc1C(=O)O 72224405 FSAWLKYJVMPDIN-UHFFFAOYSA-N 242.278 2.700 0 40 BFAB COC(=O)[C@H]1C[C@@H]1c1ccccc1Cl 73195163 WAJGAEFEFSVVGO-BDAKNGLRSA-N 210.660 2.617 0 40 BFAB CC1(C)C[C@@H](C(=O)O)Cc2ccccc21 75604938 LOGVJPMKVSHMGR-JTQLQIEISA-N 204.269 2.611 0 40 BFAB Cc1nc2cccc(C)n2c1Br 82360977 NTUOXKQCZUXIOS-UHFFFAOYSA-N 225.089 2.714 0 40 BFAB Brc1ncccc1OCC1CC1 83454670 FFVJETWNRRHOSV-UHFFFAOYSA-N 228.089 2.633 0 40 BFAB in-vitro O=C1C[C@H](C(F)(F)F)Cc2occc21 85399115 FUWUCCBYTVSGRR-YFKPBYRVSA-N 204.147 2.587 0 40 BFAB OCc1c(Cl)cccc1Br 90411453 DSQZWWJHMYCKSE-UHFFFAOYSA-N 221.481 2.595 0 40 BFAB in-vitro CCC[C@](C)(O)c1ccc(F)cc1OC 95739349 MUQUPGREPOFEAO-LBPRGKRZSA-N 212.264 2.842 0 40 BFAB C[C@@H]1CNCc2cc(C(F)(F)F)ccc21 96032337 WMFBSVMHQUYPDK-SSDOTTSWSA-N 215.218 2.912 0 40 BFAB C[C@@H](NCC(F)(F)F)[C@@H]1COc2ccccc21 97112626 WLMHYKNGEVSKHK-SCZZXKLOSA-N 245.244 2.703 0 40 BFAB CCCCN(C)C(=O)Nc1cc(C)ccn1 97372771 YIPNOUCEXZLCNF-UHFFFAOYSA-N 221.304 2.654 0 40 BFAB Cc1c(CN)ccc2c1ncn2[C@H]1CCCCO1 97756570 AZYMERDEKVDKKW-CYBMUJFWSA-N 245.326 2.503 0 40 BFAB CO[P@]1(=O)C[C@@H]2C(Cl)(Cl)[C@@]2(C)C1 102916810 QRKRKVKQGRLRPQ-AWXIBCPOSA-N 229.043 2.735 0 40 BFAB CC(C)c1noc([C@H](C)N2C[C@@H]3[C@@H](C2)C3(C)C)n1 104186745 AYJNNLQROCUWFZ-HBNTYKKESA-N 249.358 2.842 0 40 BFAB COCCCn1ccc(N[C@H]2C[C@H]3CC[C@H]2C3)n1 110707305 FIAPMQAOAHHSTA-AVGNSLFASA-N 249.358 2.520 0 40 BFAB O=C(CCC(F)(F)F)N1C[C@H]2CCC[C@@H]2C1 152392560 CMONFOCYWUQYKL-RKDXNWHRSA-N 235.249 2.587 0 40 BFAB Cc1noc(C)c1C[S@@](=O)c1ccoc1C 189608354 XMNKRZBDGMDVNB-MRXNPFEDSA-N 239.296 2.501 0 40 BFAB Cc1cccc([S@@](=O)CCCOC(C)C)c1 195579598 VPRWWBDWEJZASS-INIZCTEOSA-N 240.368 2.918 0 40 BFAB CC1=CCC[C@H](C)[C@@H]1CN[C@H](C)[C@@H]1CCOC1 252570838 XJZQFBHGFODYRN-GBJTYRQASA-N 237.387 2.993 0 40 BFAB C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)c1ccccc1O2 253569524 MKMMJIMTRNRYJG-HBYGRHMLSA-N 245.322 2.961 0 40 BFAB Cc1cc(=Nc2ccccc2)[nH]c(C2CC2)n1 341512341 SEVATPRWACSZSN-UHFFFAOYSA-N 225.295 2.828 0 40 BFAB CC1(C)C(=O)O[C@H](c2ccccc2)C(C)(C)C1=O 85920 ZQVPXIQBPCOQJJ-LLVKDONJSA-N 246.306 2.906 0 40 BFAB COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3O 202405 RGKGREVBQIMFDJ-LBPRGKRZSA-N 217.268 2.546 0 40 BFAB CCN(CC)c1ccc([C@@H]2OC[C@H](C)O2)cc1 1687964 LPYDWCRHMGHNFL-SMDDNHRTSA-N 235.327 2.967 0 40 BFAB CCOC(=O)CCC(=O)c1cccc(C)c1 2378877 CSHOFKBGGWKKCW-UHFFFAOYSA-N 220.268 2.521 0 40 BFAB CCn1nc(C)cc1Nc1ccccc1 3239311 ISVTTYVLUMDYNG-UHFFFAOYSA-N 201.273 2.955 0 40 BFAB aggregator CCOc1cc(C(=O)O)ccc1OCC(C)C 3324618 CPBWXAGZMTUBIM-UHFFFAOYSA-N 238.283 2.818 0 40 BFAB Cc1cccc(NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)n1 4044707 BFYXIFPDPBGSPZ-TUAOUCFPSA-N 230.311 2.765 0 40 BFAB CCCCNC(=O)[C@@H](CC)Oc1ccccc1 4702899 FJCOBMDIUKPQAD-CYBMUJFWSA-N 235.327 2.760 0 40 BFAB Nc1ccccc1OCCN1CCCCCC1 4938427 CSXVMTLVGHJGDG-UHFFFAOYSA-N 234.343 2.524 0 40 BFAB CCCCCNCc1ccc(C(=O)O)cc1 10474826 ISOZUCLNRGFQLE-UHFFFAOYSA-N 221.300 2.665 0 40 BFAB CCOc1cc(CO)cc(Cl)c1OCC 16971291 SWJWTBSEEDLFBJ-UHFFFAOYSA-N 230.691 2.630 0 40 BFAB CC(C)NCc1cccc(OC(C)C)c1 19737978 HNBQEMQVYYHILT-UHFFFAOYSA-N 207.317 2.972 0 40 BFAB COC(=O)c1sc2ncc(C(C)=O)cc2c1C 20283354 PIHBPKIULNRLHT-UHFFFAOYSA-N 249.291 2.594 0 40 BFAB in-vitro CC(C)=CC(=O)Nc1ccc2c(c1)OCCCO2 25026882 PICKDPOZEOEJBQ-UHFFFAOYSA-N 247.294 2.753 0 40 BFAB C[C@@H](NC(=O)CCC1CCCC1)c1cnn(C)c1 27919133 ODDJJBQMXKAPCC-LLVKDONJSA-N 249.358 2.568 0 40 BFAB CCCOc1ccc(C(=O)O)c(OCCC)c1 35414278 CALCUEXAMCWWSE-UHFFFAOYSA-N 238.283 2.962 0 40 BFAB CC(C)(C)C(=O)Nc1ccc(N2CCCC2)nc1 36353558 LTXHERGZAJNVJT-UHFFFAOYSA-N 247.342 2.666 0 40 BFAB c1ccc2c([C@H]3CNCCO3)cccc2c1 37405065 VYTVKXRSPYRGLI-CQSZACIVSA-N 213.280 2.501 0 40 BFAB O[C@H]1CCCC[C@@H]1Nc1cccc(F)c1F 40230484 ZUGHOLBBPUTODQ-ONGXEEELSA-N 227.254 2.680 0 40 BFAB O=C(NC1CCCCC1)[C@H]1CC=CCC1 40473674 FHZIHNKVMRCBRJ-NSHDSACASA-N 207.317 2.792 0 40 BFAB OC[C@@H](c1ccccc1Cl)N1CCCCC1 41282808 CSQMQBPOLSMADV-ZDUSSCGKSA-N 239.746 2.859 0 40 BFAB C[C@@H](NCCn1cccn1)c1ccccc1Cl 42538708 BERQWDUXGSPCQT-LLVKDONJSA-N 249.745 2.887 0 40 BFAB Cc1cc(C(=O)N2CCSCC2)c(C)s1 48354087 RHPPSUIOXHTFHI-UHFFFAOYSA-N 241.381 2.554 0 40 BFAB Cc1cc(F)ccc1[C@H](O)C(F)(F)F 50580864 MJEYAEAYUVJNPN-QMMMGPOBSA-N 208.154 2.730 0 40 BFAB CC[C@H](O)Cc1ccc(F)cc1Cl 53784332 BUMMGALEVMEOHB-VIFPVBQESA-N 202.656 2.793 0 40 BFAB CC(C)c1ccc(OCCC(=O)N(C)C)cc1 58413593 JDAZTVXCYAGPFV-UHFFFAOYSA-N 235.327 2.667 0 40 BFAB COc1ccc(CNc2cc(C)on2)cc1 62716551 ZSYROPZBWCIEOZ-UHFFFAOYSA-N 218.256 2.604 0 40 BFAB CC1(C)CN(Cc2cccc(Cl)c2)CCN1 71549191 UQNNHMDPIWRDHG-UHFFFAOYSA-N 238.762 2.524 0 40 BFAB NCCc1ncc(-c2ccc3ccccc3c2)o1 72207453 VGNOSEPDPCCYJO-UHFFFAOYSA-N 238.290 2.996 0 40 BFAB COC(=O)c1ccc(N(C)c2ccccc2)nc1 72225318 WDLJJMNOHZGANL-UHFFFAOYSA-N 242.278 2.636 0 40 BFAB O[C@@H](C[C@H]1CCCCCN1)c1ccccc1 72312136 VKSOBYQYHWOSEY-KGLIPLIRSA-N 219.328 2.642 0 40 BFAB in-vitro COc1ccc(C2(CN)CCCC2)cc1F 82599948 FMCGCRYXVMVEDO-UHFFFAOYSA-N 223.291 2.605 0 40 BFAB Cc1ccc(Nc2scnc2C(=O)O)cc1 82744045 UNEWXXNEFSIHOS-UHFFFAOYSA-N 234.280 2.893 0 40 BFAB COC(=O)c1cc2sc(C)c(C)c2[nH]1 85347984 DWRHJUHRZAYTDU-UHFFFAOYSA-N 209.270 2.633 0 40 BFAB COC(=O)[C@](C)(c1ccccc1)N1CCCCC1 85393492 WJNPCNCJZVORFM-HNNXBMFYSA-N 247.338 2.561 0 40 BFAB Nc1ccnc2cccc(Br)c12 91692886 HXWGAKFTZZFIJJ-UHFFFAOYSA-N 223.073 2.580 0 40 BFAB Cc1ccc(C(=O)NC2CC2)cc1NC1CCC1 95457154 DXZLKIRPLFTQAM-UHFFFAOYSA-N 244.338 2.852 0 40 BFAB Cc1cc(C)cc([C@H](C)NC(=O)c2cocn2)c1 95951197 GDOKGTXFFVWCPU-NSHDSACASA-N 244.294 2.782 0 40 BFAB c1cnc(-c2noc(C3CCCCCC3)n2)cn1 96460661 LUSSFJXEXSDZRJ-UHFFFAOYSA-N 244.298 2.964 0 40 BFAB FC(F)(F)OCC(Cl)(Cl)Cl 141986646 SHJRJTSNQHQLBG-UHFFFAOYSA-N 217.401 2.893 0 40 BFAB OC[C@H]1C=C[C@@H](N[C@@H]2CCCc3sccc32)C1 195558610 XHQCUWSSCSDLQE-DMDPSCGWSA-N 249.379 2.652 0 40 BFAB CC1(C)[C@H](O)[C@]2(Br)CC[C@@]1(C)C2 216528501 NDKVCUVWTLQJQW-HGNGGELXSA-N 233.149 2.711 0 40 BFAB Cc1nc(-c2noc(-c3ccc(F)cc3)n2)co1 216623558 WDIZPKFUSSHQHX-UHFFFAOYSA-N 245.213 2.839 0 40 BFAB COCCN[C@@H](C)c1ccccc1OC(C)C 225160603 BJNHXCMKWHDUJJ-LBPRGKRZSA-N 237.343 2.771 0 40 BFAB C[C@@H]1c2ccccc2N[C@@H]2CCOC[C@@H]12 225816895 CKNOUHZRZPFKDC-SUZMYJTESA-N 203.285 2.621 0 40 BFAB Fc1cc(Br)cnc1NC1CCC1 229538430 YGXOCFDVKSSTFU-UHFFFAOYSA-N 245.095 2.948 0 40 BFAB Cl[C@]12C[C@@H]3[C@@H]4C[C@](Cl)(O1)[C@H]1[C@H]4C[C@H]3[C@@H]12 229836016 XACQLMSONRGALD-NNHPFCOPSA-N 231.122 2.809 0 40 BFAB CC(C)CC(=O)c1ccc(C#N)c(F)c1 379868435 PILSRMLWWPDNKQ-UHFFFAOYSA-N 205.232 2.926 0 40 BFAB CC(C)(C)n1cc(-c2cncc(Cl)c2)nn1 656455035 WTKOQBYIZPMNLB-UHFFFAOYSA-N 236.706 2.749 0 40 BFAB Fc1ccc2c(NCC(F)(F)F)ncnc2c1 1153644328 SAOGYWXBHBWWSI-UHFFFAOYSA-N 245.179 2.743 0 40 BFAB c1ccc(-c2nn3cnnc3c3ccccc23)cc1 125805 PXRWSPIIXAXJKZ-UHFFFAOYSA-N 246.273 2.945 0 40 BFAB CCCN(CCC)c1nc(Cl)nc(Cl)n1 247018 YLIZLYJYOVJNHX-UHFFFAOYSA-N 249.145 2.805 0 40 BFAB CN1CCCC[C@@H]1C[C@@H](O)c1ccccc1 1578708 GOWRYACIDZSIHI-ZIAGYGMSSA-N 219.328 2.594 0 40 BFAB biogenic,in-vitro COC(=O)c1cccc2c1[C@@H](O)c1ccccc1-2 1662417 VOMYSEVSNTUJNY-AWEZNQCLSA-N 240.258 2.535 0 40 BFAB CC1=CC[C@H](C(C)(C)OCCCO)CC1 1697267 MHGVRYXQCLBJRL-LBPRGKRZSA-N 212.333 2.910 0 40 BFAB CC(C)(O)Cc1ccc(Br)cc1 1765844 GXRFHTZJNUGYSI-UHFFFAOYSA-N 229.117 2.763 0 40 BFAB in-vitro CCCCC(=O)OC[C@H](C)OC(=O)CCCC 2043608 YQXQGZJZISGSBK-NSHDSACASA-N 244.331 2.842 0 40 BFAB Cc1cc(C)c([C@@H]2C=CS(=O)(=O)C2)c(C)c1 2343971 PPVAVNCJJBIQFD-GFCCVEGCSA-N 236.336 2.638 0 40 BFAB CCOC(=O)c1c(C)[nH]c(C(=O)C(C)C)c1C 3351110 CRLLDEPYLYPLQI-UHFFFAOYSA-N 237.299 2.647 0 40 BFAB COc1ccccc1[S@](=O)Nc1ccccc1 6424928 OTXQHEDKVIDYBR-QGZVFWFLSA-N 247.319 2.830 0 40 BFAB O=C(Nc1nccs1)c1ccc(F)c(F)c1 9641518 GTRYNJPVBJMPEO-UHFFFAOYSA-N 240.234 2.674 0 40 BFAB CC(C)CC(=O)Nc1ccc2nsnc2c1 15841282 OAMPNTOFGPXNHQ-UHFFFAOYSA-N 235.312 2.676 0 40 BFAB COc1cc([C@@H](C)N)ccc1OCC(C)C 20283723 FKUDRWRDOHHYGQ-SNVBAGLBSA-N 223.316 2.750 0 40 BFAB in-vitro Cc1ccccc1C(=O)N[C@H](C)c1ccccn1 32973744 ZINHXDWFJYDCRI-GFCCVEGCSA-N 240.306 2.881 0 40 BFAB CC(C)(Cc1ccc(Cl)cc1)C(=O)O 34590700 BTCKPHZRFQRLHP-UHFFFAOYSA-N 212.676 2.993 0 40 BFAB in-vitro CC[C@H]1CCCN(Cc2nnsc2Cl)C1 35249199 KIRLXXCSINKOEC-QMMMGPOBSA-N 245.779 2.814 0 40 BFAB CC(C)COc1ccc(CCC(=O)O)cc1 36180883 IGHBTTFLXCRBGF-UHFFFAOYSA-N 222.284 2.739 0 40 BFAB biogenic CC(C)c1cccc(OC[C@@H]2CCNC2)c1 42772823 DSAHKUOAMCLIDR-GFCCVEGCSA-N 219.328 2.798 0 40 BFAB CC[C@@H]1CCCN(Cc2cc(C)no2)C1 48058052 QPMHTPNEOUDHKH-LLVKDONJSA-N 208.305 2.605 0 40 BFAB O[C@H](c1cccc2cnccc12)C(F)(F)F 61893895 ZVBVJAPRLJIHIR-SNVBAGLBSA-N 227.185 2.831 0 40 BFAB CC(C)Oc1ccc(C2=NCCCC2)cn1 72211910 VHYSKHPUNZSTEE-UHFFFAOYSA-N 218.300 2.842 0 40 BFAB CC(C)N1CCC[C@@H]1c1nccnc1Cl 72343847 OCZCSYJTLTYBMT-SECBINFHSA-N 225.723 2.675 0 40 BFAB CCC[C@H]1c2cccn2CCN1Cc1ncc[nH]1 72368007 GQNDWOOURHGAJT-LBPRGKRZSA-N 244.342 2.568 0 40 BFAB COc1ccc(C(=O)N2CCC[C@H](C)C2)cc1C 74946573 QRORLRKUAWILCC-NSHDSACASA-N 247.338 2.876 0 40 BFAB O=C(OCc1ccccc1F)c1ccccn1 78339218 IJLGABGKQMRPPX-UHFFFAOYSA-N 231.226 2.578 0 40 BFAB CC(=O)N1CCC[C@@H]1c1cccc(C)c1C 95401333 VONYLSRDYWMGDN-CQSZACIVSA-N 217.312 2.987 0 40 BFAB C/C(=C\C(=O)N[C@H](C)c1ccccn1)C1CC1 96309019 CFGXIDYFKGTKHP-PBQZMEPESA-N 230.311 2.615 0 40 BFAB Cc1ncccc1OCc1noc(CC(C)C)n1 97082606 UDROHGRMRVWHRG-UHFFFAOYSA-N 247.298 2.551 0 40 BFAB CN(C)c1ccncc1CNC1CCCCC1 97234868 ASCSZUUNDRFQNB-UHFFFAOYSA-N 233.359 2.570 0 40 BFAB COCC(=O)N1CCC[C@@H]1c1cccc(C)c1C 98013239 YYWZISZQUCCMCF-CQSZACIVSA-N 247.338 2.613 0 40 BFAB Cc1cc(C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)no1 108481646 GCJYBHPTKXASRM-JMJZKYOTSA-N 236.315 2.538 0 40 BFAB CC[C@H](O)COc1cccc2nc(C)ccc12 157062994 AYLOXAYLGWANIV-NSHDSACASA-N 231.295 2.693 0 40 BFAB CCCCc1ccc(N(CC)CC(=O)O)cc1 225003651 VTJYRQMOEOBSAJ-UHFFFAOYSA-N 235.327 2.940 0 40 BFAB Nc1cc2cc(F)ccc2nc1OCC1CC1 685937749 ZJOARBINUGPJTK-UHFFFAOYSA-N 232.258 2.745 0 40 BFAB C1CSCCSCSCCS1 1632302 ZWFLCAAQEDJCPS-UHFFFAOYSA-N 226.457 2.890 0 40 BFAB Cc1ccc(C(=O)c2ccccc2)c(C(=O)O)c1 1712280 KNMXCIDAUYVUCS-UHFFFAOYSA-N 240.258 2.924 0 40 BFAB O=C(O)c1cc(C2CC2)c(C(=O)O)c(C2CC2)c1 2294379 OXNLLNQXZFMSOF-UHFFFAOYSA-N 246.262 2.838 0 40 BFAB O=C(c1ccco1)c1cccnc1Cl 2392759 ZIACCNOEEZDAMR-UHFFFAOYSA-N 207.616 2.559 0 40 BFAB NCCc1c[nH]c2cc(Cl)cc(Cl)c12 2534068 LEOIVPVKEVLVGP-UHFFFAOYSA-N 229.110 2.976 0 40 BFAB Cc1nc(CSc2nncs2)cs1 3278549 ZTIGZGUMUXXDCQ-UHFFFAOYSA-N 229.355 2.595 0 40 BFAB CC(=O)Oc1ccc(Cl)c2cccnc12 3872054 JSJOTZXJKCXWQC-UHFFFAOYSA-N 221.643 2.814 0 40 BFAB biogenic,in-vitro CCOCc1c(C(=O)O)oc2ccccc12 3886895 QDLPJYSSHZFNAE-UHFFFAOYSA-N 220.224 2.668 0 40 BFAB CC[C@@H](C)N1CCC(N2CCC(C)CC2)CC1 4745814 NYRMETGDANWFFF-CQSZACIVSA-N 238.419 2.981 0 40 BFAB CC(C)(C)c1ccc(C(C)(C)C)c(=O)[nH]1 8655633 NTVRDTDEUIKNNG-UHFFFAOYSA-N 207.317 2.970 0 40 BFAB Cc1ccc(NC(=O)c2ccc(Cl)o2)nc1 12545502 VYGLBBWIHBIJNT-UHFFFAOYSA-N 236.658 2.889 0 40 BFAB CC(C)c1cccc(NC(=O)[C@@H]2CCCO2)c1 12982569 ZPCYTWDWJTTYLP-ZDUSSCGKSA-N 233.311 2.928 0 40 BFAB COc1ccc(OCC[C@@H]2CCCCN2)cc1 14632333 PZNNPWFTMCDFOA-LBPRGKRZSA-N 235.327 2.606 0 40 BFAB Cc1ccc(CNC(=O)c2ccoc2)cc1 18186047 IAFGZSYZEKCJIN-UHFFFAOYSA-N 215.252 2.518 0 40 BFAB CC(C)C(=O)N1CCCCC[C@@H]1c1ccn(C)n1 19085707 QHULPNNOODMSHC-CYBMUJFWSA-N 249.358 2.520 0 40 BFAB O=C(O)c1cccc(-c2cscn2)c1 20440144 SILWMAYWINQECB-UHFFFAOYSA-N 205.238 2.508 0 40 BFAB in-vitro Cc1ccc(CNC[C@H](O)c2ccccc2)cc1 22074959 HJGMPICSMODXFH-INIZCTEOSA-N 241.334 2.818 0 40 BFAB Cc1nc(Cl)nn1-c1ccc(Cl)cc1 22125683 CKDSLAJOCKAILE-UHFFFAOYSA-N 228.082 2.883 0 40 BFAB O=C(NCc1ccc(F)cc1)NC1CCCC1 30987397 WPKXQLCMRNZWLM-UHFFFAOYSA-N 236.290 2.568 0 40 BFAB CC1CCN(CCNCc2ccccc2)CC1 40771574 DVANWBMZWDOZAQ-UHFFFAOYSA-N 232.371 2.508 0 40 BFAB Cc1ccc(CN(C)Cc2c(C)noc2C)o1 42978285 FBOJNZMIOJOOOA-UHFFFAOYSA-N 234.299 2.825 0 40 BFAB Nc1nc(C(F)(F)F)ccc1-c1ccncc1 47212438 PBFDOYJKCWFHPK-UHFFFAOYSA-N 239.200 2.745 0 40 BFAB C[C@H]1CCCN(Cc2nc(C(C)(C)C)no2)C1 65550926 SMAVIRBQHYJZFL-JTQLQIEISA-N 237.347 2.599 0 40 BFAB CC(C)c1ccc(OCC(=O)O)c(Cl)c1 66056265 WXUYAEZFGIHIEQ-UHFFFAOYSA-N 228.675 2.927 0 40 BFAB C[C@H](CC(=O)NCc1cc[nH]n1)C1CCCCC1 71853766 LATRFEZNYVDDGH-LLVKDONJSA-N 249.358 2.632 0 40 BFAB Cc1cc(N2CCCCCC2)ncc1C=O 72223513 QDUMUCYIEFKUPD-UHFFFAOYSA-N 218.300 2.583 0 40 BFAB CC1(C)CC(=O)c2c(F)cc(F)cc2O1 82791433 OFZATVOZGLWVHC-UHFFFAOYSA-N 212.195 2.709 0 40 BFAB Cn1ccc2cc([C@H]3CCCN3)ccc21 82912671 JNUCZCNKKZIFFH-GFCCVEGCSA-N 200.285 2.603 0 40 BFAB CC(C)CC(=O)Nc1cc(CC(C)C)nn1C 84575104 KZBNAGXLJYAVBH-UHFFFAOYSA-N 237.347 2.603 0 40 BFAB CCC[C@](C)(O)c1ccc(F)c(F)c1 86336431 JYAZYTFQPUAJMC-NSHDSACASA-N 200.228 2.972 0 40 BFAB CCn1c(C)cc(CNCC(C)C)c1C 86592055 ARHQBRRBTFGYMA-UHFFFAOYSA-N 208.349 2.870 0 40 BFAB CC(C)Cc1ccc(CNCc2cc[nH]n2)cc1 88296645 JVXGDVJJRJDTCZ-UHFFFAOYSA-N 243.354 2.898 0 40 BFAB COc1cc(F)ccc1-c1cncc(C=O)c1 90413172 OIFLRPLXWDVCKP-UHFFFAOYSA-N 231.226 2.709 0 40 BFAB c1cc([C@H]2CCCNC2)n(C2CCCCC2)n1 95095606 HATUFMUPEKJASB-LBPRGKRZSA-N 233.359 2.855 0 40 BFAB in-vitro CC[C@H](C)[C@H](C)NCc1nc(CC(C)C)no1 95986400 JNAZGLGHMJYPTK-QWRGUYRKSA-N 239.363 2.792 0 40 BFAB CCCCN1C(=O)Cc2cc(C)ccc21 96026247 NHPKFXYGUZGQLC-UHFFFAOYSA-N 203.285 2.684 0 40 BFAB OC1CCN([C@H]2CCCCc3ccccc32)CC1 98016207 SELAQNLIMKHVLJ-INIZCTEOSA-N 245.366 2.911 0 40 BFAB O=[N+]([O-])c1ccc2nc(C3=CC=CC3)[nH]c2c1 98074345 YNGWVUZRAFXUNM-UHFFFAOYSA-N 227.223 2.814 0 40 BFAB O=C(N1C[C@H]2CC[C@H]1C2)C1(c2ccccc2)CC1 102384676 WDBDPVNSAOKXKM-JSGCOSHPSA-N 241.334 2.729 0 40 BFAB C1CC[C@H](CN2CC[C@H]3CCCC[C@@H]3C2)NC1 108275813 SMFJJXNFNWYQPN-RBSFLKMASA-N 236.403 2.641 0 40 BFAB C[C@H]1CCCC[C@@H]1CNCC[C@H](C)[S@@](C)=O 195559901 AQZKKLMLDCRYCP-BCUIYNNISA-N 245.432 2.559 0 40 BFAB Cc1ccc2c(c1)nc1n2CC[C@H](C)C1 226251474 JDZOBWXHCXFBJF-JTQLQIEISA-N 200.285 2.927 0 40 BFAB CCn1ncc(NCc2ccnn2C(C)C)c1C 256055153 ZLBNQTSRBKGUCH-UHFFFAOYSA-N 247.346 2.601 0 40 BFAB CC[S@](=N)(=O)c1cccc(Br)c1 521399575 ZOCDVQLMBOSZSY-LBPRGKRZSA-N 248.145 2.875 0 40 BFAB CC(C)(C)OC(=O)N[C@H]1CC(F)(F)C[C@@H]1F 710673635 WZBPQGVPNWCBHJ-BQBZGAKWSA-N 239.237 2.647 0 40 BFAB CC1(C)C[C@@H]2CNCC[C@@H]2N1c1ccc(F)cc1 2037849889 CDCBPLBHGCOVNE-RISCZKNCSA-N 248.345 2.793 0 40 BFAB Cc1ccccc1C(=O)Nc1ccncc1 406453 IPNZONAZPKLNST-UHFFFAOYSA-N 212.252 2.642 0 40 BFAB CNc1snc(Cl)c1Br 1097796 PAFJHCISJTXMNV-UHFFFAOYSA-N 227.514 2.601 0 40 BFAB Cc1cc(C)nc(SN2CCCCC2)n1 3163550 KMCZJUDWAJHSCA-UHFFFAOYSA-N 223.345 2.586 0 40 BFAB CC[n+]1ccc(/C=C\c2ccccc2O)cc1 4582355 VAYUJBYZNHHPGG-UHFFFAOYSA-O 226.299 2.870 0 40 BFAB CC(C)[C@@H](/C=C/[C@@H](C)O)CC[C@@H](C)CO 5733468 KMASBAKBQVORTA-QRSKCAGOSA-N 214.349 2.604 0 40 BFAB CC[C@@]1(C)C=C(S)N(c2ccccc2)N1 5876366 JWFOERFUNZUVEP-LBPRGKRZSA-N 220.341 2.951 0 40 BFAB CCCOc1ccc(-c2nnc(S)o2)cc1 9286947 ABLBVMPPLXPINO-UHFFFAOYSA-N 236.296 2.814 0 40 BFAB COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@@H]1C 9647624 SINRAOCJXRTBQW-IONNQARKSA-N 239.702 2.943 0 40 BFAB Cc1ccc(CN(C)C(=O)c2cccc(F)c2)o1 12919936 AIFBLDRYTNXMJI-UHFFFAOYSA-N 247.269 2.999 0 40 BFAB CC(=O)Nc1cccc([C@@H](C)NCC2CC2)c1 20086230 ZWWYTIYOCZEURH-SNVBAGLBSA-N 232.327 2.706 0 40 BFAB CC(C)NCc1ccc(OC(C)C)cc1 32011863 BDNUIJPAHZMCLJ-UHFFFAOYSA-N 207.317 2.972 0 40 BFAB Cc1nc2cc(C(=O)O)ccc2n1CC(C)C 36893553 ATXNITMTBSSJMK-UHFFFAOYSA-N 232.283 2.699 0 40 BFAB O=C(O)c1cc2ccc(C(F)(F)F)nc2o1 37593637 MFASZKGYQGRTDH-UHFFFAOYSA-N 231.129 2.545 0 40 BFAB Cc1ccc(C)c(OCCCC(C)(C)C(N)=O)c1 38458132 YJMCJQKGIPBLRJ-UHFFFAOYSA-N 249.354 2.974 0 40 BFAB Cc1ccccc1COCCC1CCNCC1 42771866 JDSACOIQGULRQD-UHFFFAOYSA-N 233.355 2.901 0 40 BFAB in-vitro Cc1cccnc1C(=O)c1cccc(F)c1 45028662 WJZKSHHTHAOEBV-UHFFFAOYSA-N 215.227 2.760 0 40 BFAB CSc1ccc([C@H]2NCCS2)cc1 50522843 BMGXOHKYNWJQRQ-JTQLQIEISA-N 211.355 2.744 0 40 BFAB CCc1ccc(/C=C/C(O)=C/C2=NCCN2)cc1 62716134 LALYPYPBMPTPLE-UWWXTLEHSA-N 242.322 2.706 0 40 BFAB CSCc1nnc(SC2CCCC2)o1 72066585 IRXIFVYPPZEKLX-UHFFFAOYSA-N 230.358 2.967 0 40 BFAB Cc1cc(NC(C)(C)C)ncc1[C@@H](C)O 72223970 OEDWFMHIWMEVNR-SECBINFHSA-N 208.305 2.654 0 40 BFAB Cc1cc(Cl)cc2nc(NN)sc12 73638411 ZKJUWTPBYCAPOY-UHFFFAOYSA-N 213.693 2.544 0 40 BFAB O=C(C1CC1)N1CCCCc2ccccc21 78644593 ASPYMPAEHSYHHU-UHFFFAOYSA-N 215.296 2.766 0 40 BFAB OCc1cc2cc(Br)cc(F)c2o1 83819481 AOFAJXJQMZRCAD-UHFFFAOYSA-N 245.047 2.827 0 40 BFAB O=C(NC(C1CC1)C1CC1)N1C[C@H]2CCC[C@H]2C1 89817868 MZJGSQNNXSFSIX-BETUJISGSA-N 248.370 2.617 0 40 BFAB CC(=O)N(Cc1ccccc1F)C1CCC1 89930366 RUVQOCOSZHUBBK-UHFFFAOYSA-N 221.275 2.727 0 40 BFAB COc1c(CNC(C)C)ccc(C)c1C 95094884 OAGLNDSIALZUNK-UHFFFAOYSA-N 207.317 2.810 0 40 BFAB CCCOc1c(F)cc(F)cc1[C@H](C)O 95739597 RWNDDKZTKTVIDJ-ZETCQYMHSA-N 216.227 2.807 0 40 BFAB OCc1ccncc1NC/C=C/c1ccccc1 95978122 XQXCKPCGMSQXLT-QPJJXVBHSA-N 240.306 2.699 0 40 BFAB Cc1ccccc1CN[C@H](CCO)C(C)(C)C 95995948 MVXGUNPIYLEYGH-CQSZACIVSA-N 235.371 2.882 0 40 BFAB COc1cccc([S@@](=O)CC2CCCC2)c1 97033802 FUADSRWTTQBFSI-MRXNPFEDSA-N 238.352 2.993 0 40 BFAB CN(C)CCO[C@@H]1C(C)(C)[C@H]2CC[C@@]1(C)C2 104177074 SZZKEDPTVWMFNF-SCRDCRAPSA-N 225.376 2.779 0 40 BFAB C[C@H](O)c1cn(-c2ccc(C(C)(C)C)cc2)nn1 163364042 AEFIJKCFONOOJZ-JTQLQIEISA-N 245.326 2.618 0 40 BFAB O=C(O)c1nc(-c2ccccc2)c2ccccn12 211914895 UEYXKBPMEYAPSW-UHFFFAOYSA-N 238.246 2.700 0 40 BFAB COCOc1cc(C)ccc1Br 221511611 BCVOTTXMFDUWJA-UHFFFAOYSA-N 231.089 2.740 0 40 BFAB CCCCn1c(C)cc(C(=O)OC)c1C 223696201 UOPGMLVIFQELEH-UHFFFAOYSA-N 209.289 2.692 0 40 BFAB CC[C@@H](C)n1nccc1CNc1c(C)cnn1C 256055126 ZHWALUXCAKRLAQ-LLVKDONJSA-N 247.346 2.508 0 40 BFAB CCOC(=O)[C@@H]1C[C@H]1c1ccc(C)cc1C 1857793774 NNVGKODKMOCMHN-QWHCGFSZSA-N 218.296 2.970 0 40 BFAB Cc1ccc(NC(=O)c2snnc2C)c(C)c1 478308 YOQKHLYMBSFBRU-UHFFFAOYSA-N 247.323 2.716 0 40 BFAB Cc1cc(C)cc(C(=O)NCc2ccccn2)c1 496691 NWMRLCLEASCQCO-UHFFFAOYSA-N 240.306 2.628 0 40 BFAB CC(=O)OC[C@]12CC=C(C)[C@H]([C@@H](C)OC1)[C@H]2C 2139236 KSCMOJQRHWGLDT-RFHZTLPTSA-N 238.327 2.557 0 40 BFAB biogenic C[C@H](Nc1ncnc2[nH]cnc12)c1ccccc1 2719610 OPBOKLRORBKBAN-VIFPVBQESA-N 239.282 2.526 0 40 BFAB aggregator Cc1[nH]c2ccccc2c1[C@@H](O)c1ccncc1 3953517 YIFMJHZIASZRQG-HNNXBMFYSA-N 238.290 2.953 0 40 BFAB O=C1NC2(CCCCCC2)N=C1c1ccccc1 6818732 UGVRLNKXQRVGDB-UHFFFAOYSA-N 242.322 2.656 0 40 BFAB O=C(Nc1nc2ccccc2s1)NC1CC1 10036882 YUSBTOOHLDCIHD-UHFFFAOYSA-N 233.296 2.580 0 40 BFAB Nc1c(-c2ccc(F)cc2)nc2sccn12 12504743 RDRJUNSDLSDECI-UHFFFAOYSA-N 233.271 2.784 0 40 BFAB CC(=O)c1c(C)nc(N2CCC[C@H](C)C2)nc1C 13640222 XBUVGZYWLWWTDW-VIFPVBQESA-N 247.342 2.532 0 40 BFAB CCCN(CCC)S(=O)(=O)c1cccs1 13939828 RXJAYNNCJDAWJN-UHFFFAOYSA-N 247.385 2.559 0 40 BFAB Nc1ccc(-c2cccs2)cc1C(=O)O 16946195 PXSSPVWKCSZVKQ-UHFFFAOYSA-N 219.265 2.696 0 40 BFAB in-vitro C[C@H](NN)c1ccc(-c2ccccc2)cc1 19167206 VKTGZFQIICIABI-NSHDSACASA-N 212.296 2.878 0 40 BFAB O=C(O)c1nc(-c2ccccc2)oc1C1CC1 19269180 CGMNZWYGTFJKTF-UHFFFAOYSA-N 229.235 2.917 0 40 BFAB in-vitro CCC(CC)NCc1cccc(OC)c1 19883734 DHZHSWDGAQUFSB-UHFFFAOYSA-N 207.317 2.973 0 40 BFAB Cc1noc2ncnc(N[C@@H]3CCCC[C@H]3C)c12 21531589 RIHMUTYAOUZJTM-PSASIEDQSA-N 246.314 2.917 0 40 BFAB Nc1ncc(Cc2ccc(F)c(F)c2F)s1 21952296 FCGFLMKPFPJGAV-UHFFFAOYSA-N 244.241 2.733 0 40 BFAB Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1N 21961253 XNKOSPCLXTUOGF-NSHDSACASA-N 232.327 2.592 0 40 BFAB CC[C@H](C)C(=O)Nc1cc(OC)cc(OC)c1 23082150 GAESAQJWJOQQAE-VIFPVBQESA-N 237.299 2.688 0 40 BFAB Cc1ccc(C(=O)NCc2sccc2C)o1 29237262 VGTGVBGBNDYOHF-UHFFFAOYSA-N 235.308 2.888 0 40 BFAB COc1ccc(C(=O)c2ccc(C)c(N)c2)cc1 33469210 KZIIUXJNBSVCFN-UHFFFAOYSA-N 241.290 2.817 0 40 BFAB c1cc(-c2ccc(-c3ccncc3)nn2)ccn1 33943066 DEZYXXNTIANXSZ-UHFFFAOYSA-N 234.262 2.601 0 40 BFAB COc1ccc(Br)cc1[C@@H](C)O 36162372 WNRYFLFXINLLKQ-ZCFIWIBFSA-N 231.089 2.511 0 40 BFAB Nc1cc(F)ccc1-c1n[nH]c(C2CCCC2)n1 41161608 HKFTWBPRNRZRNA-UHFFFAOYSA-N 246.289 2.851 0 40 BFAB CCc1cc(OC[C@H]2CCNC2)ccc1Cl 42771502 YPWDLSDMHQNNQI-JTQLQIEISA-N 239.746 2.891 0 40 BFAB CC(C)(C)c1ccccc1O[C@H]1CCNC1 42776203 MICHAQIIWYJGEO-NSHDSACASA-N 219.328 2.725 0 40 BFAB COC(=O)c1cc2cc(C)ccc2nc1Cl 44199763 YLADGSFINZQJJI-UHFFFAOYSA-N 235.670 2.983 0 40 BFAB Cc1cc(CN[C@H](C)c2cccc(O)c2)on1 44985817 SXVNVQHPIUCFST-SNVBAGLBSA-N 232.283 2.539 0 40 BFAB Cc1cc2nc(S)nc(C)c2cc1C 59431792 AOZQKDWWBOXTNA-UHFFFAOYSA-N 204.298 2.844 0 40 BFAB Cc1nc(C(=O)Oc2ccc(F)cc2)cs1 69312039 DTVIZEYZBOGWSO-UHFFFAOYSA-N 237.255 2.810 0 40 BFAB O=Cc1cccc(OCCC(F)(F)F)c1 70210533 BGVVKEHXDLBHMD-UHFFFAOYSA-N 218.174 2.830 0 40 BFAB Cc1ccc(Br)cc1[C@H](C)N 83256196 WQPGMVARNYPTKS-ZETCQYMHSA-N 214.106 2.777 0 40 BFAB Clc1ccnc(NCc2cccs2)n1 83354283 OQNJAPLSDQKIMN-UHFFFAOYSA-N 225.704 2.804 0 40 BFAB CC(C)(O)Cc1ccc(OC(F)(F)F)cc1 83503235 UBSKLTVUCFEMMJ-UHFFFAOYSA-N 234.217 2.899 0 40 BFAB COc1ccc2[nH]c3c(c2c1)[C@H](O)CCC3 83724501 ODMYLJPOSLSMCB-GFCCVEGCSA-N 217.268 2.546 0 40 BFAB Nc1c2c(nn1-c1cccc(Cl)c1)CCC2 83740162 VSAXQROHLQTPLY-UHFFFAOYSA-N 233.702 2.597 0 40 BFAB O=Cc1c(Cl)ccnc1C(F)(F)F 91301440 OCHISXJNCQENLR-UHFFFAOYSA-N 209.554 2.566 0 40 BFAB C[C@H](O)c1cc(Br)cnc1Cl 95836967 GTTWHKVMEWGTPC-BYPYZUCNSA-N 236.496 2.551 0 40 BFAB Cc1cc(SC(F)(F)F)ncc1N 95918424 OLNRYRQMKDPVEE-UHFFFAOYSA-N 208.208 2.584 0 40 BFAB CC(C)=C[C@H]1[C@H](C(=O)NCc2ccno2)C1(C)C 95992920 WFKGXPUXZKGCBX-NWDGAFQWSA-N 248.326 2.529 0 40 BFAB CCC1(CNC(=O)C[C@@H]2CCCO2)CCCC1 96473323 FOEDSYBCMXJCIS-LBPRGKRZSA-N 239.359 2.642 0 40 BFAB COCCN[C@H]1CCCSc2ccccc21 96476332 JIRYOHBTASRUBV-LBPRGKRZSA-N 237.368 2.850 0 40 BFAB N=c1oc2ccccc2c2csc(N)c12 101636323 KCQQIJXAAAVVQY-UHFFFAOYSA-N 216.265 2.709 0 40 BFAB CN(Cc1cccs1)C(=O)[C@H]1C[C@H]2C=C[C@H]1C2 102258752 INTZNPKZEYKPME-GVXVVHGQSA-N 247.363 2.919 0 40 BFAB O=C(N[C@H]1CCC[C@@H]1F)c1ccc2cc[nH]c2c1 585298234 RQMSFOXSEKJLAE-RYUDHWBXSA-N 246.285 2.788 0 40 BFAB Cc1ncn(-c2cccc(C(F)(F)F)c2F)n1 2362803480 DHHOTZAUGUCIBD-UHFFFAOYSA-N 245.179 2.734 0 40 BFAB N=C(N)N(Cc1ccccc1)c1ccccc1 345288 NEVBMUVMOAABDA-UHFFFAOYSA-N 225.295 2.587 0 40 BFAB O=C(O)[C@@H]1Oc2ccccc2[C@@H]1c1ccccc1 1587597 CSQHMXGTEXRJLR-UONOGXRCSA-N 240.258 2.664 0 40 BFAB CCCNCc1cccn1-c1ccccc1 3165889 KDNVAGUBBIXWMN-UHFFFAOYSA-N 214.312 2.977 0 40 BFAB COc1ccc(CN2CCC(C)CC2)cc1 4689750 CGMUOLIMMNJJAA-UHFFFAOYSA-N 219.328 2.927 0 40 BFAB COc1ccccc1OCc1cc(C(=O)O)co1 4992562 FSDGPLUOJFBNLG-UHFFFAOYSA-N 248.234 2.565 0 40 BFAB CC1(C)C[C@H]2C[C@H](CC(C)(C)C2=O)C1=O 5741683 TZEDBMOSQPTRPQ-RKDXNWHRSA-N 208.301 2.607 0 40 BFAB CCc1ccc(CCC(=O)N2CCCC2)cc1 10433908 TWWKMCPTYYONHP-UHFFFAOYSA-N 231.339 2.804 0 40 BFAB CCN(CC)C(=O)c1cc2cc(F)ccc2[nH]1 13007430 IVENECNJBITAMR-UHFFFAOYSA-N 234.274 2.789 0 40 BFAB Cc1oc(C)c(C(=O)NCc2ccco2)c1C 13021641 PDEHPVVRDGKACW-UHFFFAOYSA-N 233.267 2.728 0 40 BFAB Cc1ccc(COC[C@@H]2CCCNC2)cc1 14631123 HFXLZLHUOJAKDX-CQSZACIVSA-N 219.328 2.511 0 40 BFAB in-vitro O=C1C=CC[C@H](/C=C\c2ccccc2)O1 15262961 RLGHFVLWYYVMQZ-ZWLSGLHFSA-N 200.237 2.572 0 40 BFAB biogenic,in-vitro CCCC[C@@H](N)c1nc2ccccc2[nH]1 17043747 UJHPABYZJRSRMS-SECBINFHSA-N 203.289 2.753 0 40 BFAB NC[C@@H](c1ccsc1)N1CCCCCC1 22213599 MAVSVTDHRPZPLI-LBPRGKRZSA-N 224.373 2.624 0 40 BFAB Clc1cccc(COC[C@@H]2CCCCN2)c1 28521906 YKOSMBLLOXIDKI-ZDUSSCGKSA-N 239.746 2.999 0 40 BFAB CCOc1ccc([C@@H]2C[C@H]2C(C)=O)cc1 31829294 OQDFOQMKXLHOBD-STQMWFEESA-N 204.269 2.778 0 40 BFAB C[C@H](Cc1cccs1)NC(=O)c1ccncc1 33203527 DXEQERPPKMKBNE-SNVBAGLBSA-N 246.335 2.504 0 40 BFAB Nc1cc(-c2ccc(F)cc2)ccc1C(=O)O 36294190 XFFPWHCLVYZPAC-UHFFFAOYSA-N 231.226 2.773 0 40 BFAB O=C(O)c1cnc(Cc2ccc(F)cc2)s1 36930121 CRJSAVSSWSJYLR-UHFFFAOYSA-N 237.255 2.571 0 40 BFAB in-vitro Cc1cc(C)cc(OCC(=O)N[C@H](C)C(C)C)c1 41104094 UTGVLHBGWJNXQM-CYBMUJFWSA-N 249.354 2.843 0 40 BFAB O[C@H](c1ccc(F)cc1F)C(F)(F)F 42268375 QBWJVZAJXYEFOE-SSDOTTSWSA-N 212.117 2.561 0 40 BFAB CCN(CC)c1cc(C)c(Br)cn1 42783483 IUJWJSUVRGEWKX-UHFFFAOYSA-N 243.148 2.999 0 40 BFAB CC(C)CSc1nc(Cl)ns1 48056670 HKXVGPWGOKSLGG-UHFFFAOYSA-N 208.739 2.940 0 40 BFAB CNC[C@H](OC(C)C)c1ccccc1F 50483652 SGLBDOGKIPYBGB-LBPRGKRZSA-N 211.280 2.511 0 40 BFAB Clc1cc2[nH]cnc2cc1Br 60195698 UZPKKTKUNKNWBS-UHFFFAOYSA-N 231.480 2.979 0 40 BFAB CCC(=O)c1cnc(N2CCCC2)cc1C 72223471 WRRSOHNISHZXBS-UHFFFAOYSA-N 218.300 2.583 0 40 BFAB CC(C)Oc1nc(C(F)(F)F)ccc1C(=O)O 94338217 LPTFRCQWMJZSCV-UHFFFAOYSA-N 249.188 2.586 0 40 BFAB CC(=O)N[C@H]1CCCc2c1[nH]c1ccc(F)cc21 96118351 OEYSGCPCPXAZDN-ZDUSSCGKSA-N 246.285 2.821 0 40 BFAB CC[C@@H](C)NC(=O)N[C@@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 102404160 UIDQXVYENCEMOQ-MLGHIDQZSA-N 238.375 2.909 0 40 BFAB CC[C@H](C)NC(=O)N[C@@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 102404162 UIDQXVYENCEMOQ-YYHQMBLXSA-N 238.375 2.909 0 40 BFAB CCCCN1C(=O)[C@H]2CC[C@](C)(C1=O)C2(C)C 102703805 IKHHMGVOWQSRKL-QMTHXVAHSA-N 237.343 2.598 0 40 BFAB CNCc1cccn1-c1ccc(C)cc1 113703978 VDYMLSVKLGTYEB-UHFFFAOYSA-N 200.285 2.505 0 40 BFAB C[C@H]1C[C@H](C)CC[C@H]1NCC[C@H](C)[S@@](C)=O 195560775 OJRBYTJFTMKNKF-WUGLTUCPSA-N 245.432 2.558 0 40 BFAB CCc1ccccc1N(CC)[C@H](C)C(=O)O 260680851 VREMHUMXTAYFCN-SNVBAGLBSA-N 221.300 2.548 0 40 BFAB CC(C)CCNC(=O)c1ccc(Cl)c(N)c1 365597 RLNHAIMDPKOQSL-UHFFFAOYSA-N 240.734 2.698 0 40 BFAB CCc1ccc(OC[C@@H]2CCCO2)cc1 1602703 HHHITMBTSTVMQW-ZDUSSCGKSA-N 206.285 2.807 0 40 BFAB O=C1N[C@H](c2ccccc2)c2ccccc21 1632813 WSKBLLFHGABBEW-CYBMUJFWSA-N 209.248 2.519 0 40 BFAB Sc1cnnc2ccc(Br)cc12 1704368 NRPZTUQPQJQHAV-UHFFFAOYSA-N 241.113 2.681 0 40 BFAB CCCCCC[C@H](C)O[C@H]1CCS(=O)(=O)C1 3098901 DIJAYZRTHWOLAU-RYUDHWBXSA-N 248.388 2.549 0 40 BFAB CC1(c2ccc(Br)cc2)OCCO1 4798585 GFOGBVQXIQGBKG-UHFFFAOYSA-N 243.100 2.669 0 40 BFAB in-vitro N[C@H]1C[C@H]2CCCC[C@@H]2C[C@]1(O)c1ccccc1 5395545 QPSHWOZTWDCKIJ-VDERGJSUSA-N 245.366 2.802 0 40 BFAB COC(=O)Nc1ccc(Br)cc1F 5526240 UFZZBPUQVJNHNR-UHFFFAOYSA-N 248.051 2.767 0 40 BFAB C[C@@H](O)Cc1cccc(C(F)(F)F)c1 6036835 WNIKNSNYJWTSDT-SSDOTTSWSA-N 204.191 2.629 0 40 BFAB in-vitro CCc1cccc(NC(=O)C(F)(F)F)c1 6125405 RWZKJTQVZYDFQD-UHFFFAOYSA-N 217.190 2.750 0 40 BFAB CCCC(=O)Nc1ccc(Cl)cc1N 8732405 MSRPSVLXDOVZBJ-UHFFFAOYSA-N 212.680 2.661 0 40 BFAB Cc1cc(=O)cc(C)n1-c1ccc(F)cc1 8793986 KXFOWIWQLFMDSI-UHFFFAOYSA-N 217.243 2.593 0 40 BFAB O=C1C[C@H](c2ccc(Cl)cc2)Cc2[nH]ncc21 10156783 HUWOFRGMDSDKAZ-SECBINFHSA-N 246.697 2.976 0 40 BFAB CC[C@H](C)NC(=O)CCc1ccc(C)cc1 10328057 UBLACGKAKTXZCT-LBPRGKRZSA-N 219.328 2.842 0 40 BFAB Cc1cc(S[C@@H](C)C(N)=O)nc2ccccc12 12528188 LDVJBERMMNXKPI-VIFPVBQESA-N 246.335 2.509 0 40 BFAB Nc1nc2ncccc2cc1-c1ccccc1 19723495 USUJXARHDURNRZ-UHFFFAOYSA-N 221.263 2.879 0 40 BFAB in-vitro c1ccc2[nH]c(CCN3CCCCC3)nc2c1 31554500 WHQOMIHMUVODCZ-UHFFFAOYSA-N 229.327 2.591 0 40 BFAB Cc1cc([C@@H]2CCCN2C)cnc1Cl 35032841 WMIQGBVZWHDJSW-JTQLQIEISA-N 210.708 2.810 0 40 BFAB COc1ccc(F)cc1C(=O)C1CCC1 36158423 PTOKYBRKRUNNQA-UHFFFAOYSA-N 208.232 2.817 0 40 BFAB C/C=C/C(=O)Nc1nnc(-c2ccccc2)s1 39750662 QLRPNULARSBBHO-QHHAFSJGSA-N 245.307 2.720 0 40 BFAB CCOc1ccc(Br)cc1[C@@H](C)O 40262177 QVNVUCKHXOBQQZ-SSDOTTSWSA-N 245.116 2.901 0 40 BFAB C[C@@H](CCc1ccco1)NC(=O)C(C)(C)C 41975476 IEUPTQOUZDHELO-JTQLQIEISA-N 223.316 2.763 0 40 BFAB C[C@H](NC(=O)Nc1ccccn1)c1ccccc1 42846934 TVOPZMXUONKZDC-NSHDSACASA-N 241.294 2.964 0 40 BFAB CCOC(=O)c1c(C)sc(C=O)c1Cl 48608133 NYXNWKHMSRYHAE-UHFFFAOYSA-N 232.688 2.699 0 40 BFAB COc1ccc2ccccc2c1[C@@H]1C[C@H]1CN 54586937 VLAAANYQUSUYBA-WCQYABFASA-N 227.307 2.911 0 40 BFAB CCCNC(=O)N[C@H](C)CCc1ccccc1 57580750 JEPGRUJTDNMKQE-GFCCVEGCSA-N 234.343 2.717 0 40 BFAB CCCOCC(=O)Nc1cccc2cnccc12 65503624 CVPGOPZFNNSDMK-UHFFFAOYSA-N 244.294 2.600 0 40 BFAB CC(C)Cc1ccc2c(=O)[nH]ccc2c1 71482412 WRHCFHABDFFSSM-UHFFFAOYSA-N 201.269 2.727 0 40 BFAB CC[C@H](C)Nc1ncccc1[C@@H]1CCCN1C=O 72213368 KCHJOWHCWJPCDB-AAEUAGOBSA-N 247.342 2.585 0 40 BFAB CC[C@H](N)c1ccc(N(CC)CC)nc1C 72224310 ZERBQBOSJNWKDD-LBPRGKRZSA-N 221.348 2.646 0 40 BFAB CC(C)C[C@H](C)N1Cc2ccccc2OCC1=O 75165441 YFNHQYNGCNUNGH-LBPRGKRZSA-N 247.338 2.842 0 40 BFAB Cc1cc(C)c2cc(CCC(=O)O)ccc2n1 82780832 PYDIKBCKSJZFHB-UHFFFAOYSA-N 229.279 2.869 0 40 BFAB NCc1csc(-c2ccc(N)cc2Cl)n1 83367595 IHWIFNROCYLPDB-UHFFFAOYSA-N 239.731 2.504 0 40 BFAB C[C@H]1C[C@H]1C(=O)N(C1CCCC1)C1CC1 89920375 PLVBODNSYBCJJQ-JOYOIKCWSA-N 207.317 2.576 0 40 BFAB O=C(/C=C/c1ccccc1)NCCc1ccoc1 90607373 RHHUETXAHXNLOW-VOTSOKGWSA-N 241.290 2.652 0 40 BFAB N[C@H]1CCc2cc(C(F)(F)F)ccc21 95785810 PBRGODMRDUJDQL-VIFPVBQESA-N 201.191 2.651 0 40 BFAB in-vitro Nc1ncc(Cl)c(C(F)(F)F)c1Cl 95929690 GTTFPORLVZBZJB-UHFFFAOYSA-N 231.004 2.989 0 40 BFAB CC(C)N(C(=O)[C@@H]1C[C@@H]1c1cccnc1)C1CC1 95957233 GBCHQCSAPQYIKD-ZIAGYGMSSA-N 244.338 2.585 0 40 BFAB CC(C)(O)CCN[C@H](c1ccccc1)C1CC1 95987462 KCZFSMYPHQVTJW-CQSZACIVSA-N 233.355 2.888 0 40 BFAB Cc1n[nH]cc1CNCC1(c2ccccc2)CC1 97159246 VKLMJYBDTFFFPZ-UHFFFAOYSA-N 241.338 2.540 0 40 BFAB Cc1sc(=N)n(C)c1-c1ccccc1 100161538 IMUFXPSBXWRPFC-UHFFFAOYSA-N 204.298 2.541 0 40 BFAB CC(C)CCOC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2 100236628 DHOOHGZXAASGHL-SDDRHHMPSA-N 208.301 2.788 0 40 BFAB O[C@H]1C[C@]2(Cl)C[C@]1(Cl)C(Cl)=C2Cl 104327064 VZOAOSMRYBAPJZ-DKPVMLCSSA-N 247.936 2.799 0 40 BFAB CC(C)(C)OC(=O)NC12CCC(CC1)C2 116647477 BRHGIZYMRTYNPG-UHFFFAOYSA-N 211.305 2.844 0 40 BFAB CC[C@H](NCc1cc[nH]n1)c1cccc(F)c1 166543649 XJQWSDCHIBNTNO-ZDUSSCGKSA-N 233.290 2.790 0 40 BFAB CCOc1ccccc1N[C@@H]1CCCC[C@@H]1N 218862115 ICGJAWFCWRXMLP-NWDGAFQWSA-N 234.343 2.767 0 40 BFAB Cc1[nH]c2ccc(O)cc2c1CNC(C)C 223768147 FSMIBZHCLCUOAZ-UHFFFAOYSA-N 218.300 2.680 0 40 BFAB FCCn1cc(NCc2ccc(F)s2)cn1 256052782 OQEYGJUQAXAAOR-UHFFFAOYSA-N 243.282 2.665 0 40 BFAB C/C(Cl)=C/CS(=O)(=O)Cc1ccccc1 530112511 JQBZMXKZGMTOCX-YFHOEESVSA-N 244.743 2.744 0 40 BFAB OCc1ccc(OCC(F)(F)F)cc1Cl 1776010738 OAMHEZAPVHCPHV-UHFFFAOYSA-N 240.608 2.773 0 40 BFAB O=C(O)c1c(Cl)cc(Cl)c(F)c1F 1857791287 WYSSFSKZXOKCEB-UHFFFAOYSA-N 226.993 2.970 0 40 BFAB CC(=O)Nc1nc(C)c(C(C)(C)C)s1 40189 FYVVXDVXJGORDW-UHFFFAOYSA-N 212.318 2.707 0 40 BFAB CCC(=O)Oc1ccc(CCC(C)=O)cc1 1671376 NBNZUDHERZHGTE-UHFFFAOYSA-N 220.268 2.524 0 40 BFAB O=C(Cc1ccc(Cl)c(Cl)c1)NC1CC1 3565447 TYDASEKCKLMVDW-UHFFFAOYSA-N 244.121 2.815 0 40 BFAB Cc1cc(C(=O)N(C)C)c(-n2cccc2)s1 3844212 XUDKFXAEOZWLGR-UHFFFAOYSA-N 234.324 2.549 0 40 BFAB biogenic Cc1cccc2c1CC(C)(C)NC2=S 4143511 UXYGCZMQJQBYAO-UHFFFAOYSA-N 205.326 2.595 0 40 BFAB COC(=O)[C@H]1N=C(c2ccccc2)SC1(C)C 5014708 RJEFVUNCKUZKDX-SNVBAGLBSA-N 249.335 2.500 0 40 BFAB O=C(NCc1ccccc1F)c1ccccc1F 6260714 CFJNMFLGSCOEOE-UHFFFAOYSA-N 247.244 2.895 0 40 BFAB CC[C@@H](C)NCc1cccc(OC)c1OC 8326023 FPJIJINMLJVALZ-SNVBAGLBSA-N 223.316 2.592 0 40 BFAB Nc1[nH]nc(-c2ccncc2)c1-c1ccccc1 8701301 FIYOMWDWUASSIF-UHFFFAOYSA-N 236.278 2.721 0 40 BFAB Cc1nc(NC(=O)c2ccoc2)sc1C 12874080 AMMDUEKRGQGTSA-UHFFFAOYSA-N 222.269 2.605 0 40 BFAB CCC(=O)N[C@H]1CCSc2ccccc21 13011755 NTYTVAAOVNPFEG-JTQLQIEISA-N 221.325 2.750 0 40 BFAB CCCOc1cc2c(cc1C=O)CCC2 19735466 HLEKWYSEQOZUMK-UHFFFAOYSA-N 204.269 2.777 0 40 BFAB in-vitro CO[C@H]1c2ccccc2C(=O)N1CCC(C)C 20123853 VPTINPVSCPBKPX-AWEZNQCLSA-N 233.311 2.834 0 40 BFAB O=C(O)c1c[nH]c2cccc(C(F)(F)F)c12 26894694 ZXHZBUBUBCCBBT-UHFFFAOYSA-N 229.157 2.885 0 40 BFAB O=Cc1c(C2CC2)oc2ccc(O)cc12 29753663 KEAXHKGDLMGQGA-UHFFFAOYSA-N 202.209 2.828 0 40 BFAB CC(=O)C[C@](N)(c1ccc(C)cc1)C(F)(F)F 32629054 ZJRRIOCICOIXGX-NSHDSACASA-N 245.244 2.690 0 40 BFAB COCOCc1ccccc1Br 36473438 DIZPEZNNOODNQE-UHFFFAOYSA-N 231.089 2.570 0 40 BFAB in-vitro CC(C)C[C@@H](C)NCC1(O)CCCCC1 37887131 UPDXJEOOUSNHII-GFCCVEGCSA-N 213.365 2.706 0 40 BFAB COc1cccc(SCc2nc(C)no2)c1 40051816 YEDSZWXXDWGGCH-UHFFFAOYSA-N 236.296 2.679 0 40 BFAB Cc1cc(C(=O)N[C@H](C)C2CC2)sc1C 40473054 VBMPMKDDPTZXQT-MRVPVSSYSA-N 223.341 2.893 0 40 BFAB Cc1ccc(O[C@@H]2CCCNC2)c(Cl)c1 42775101 LLAMXZYBKSQUGX-SNVBAGLBSA-N 225.719 2.779 0 40 BFAB Cc1ccsc1CNC(=O)Nc1ccccn1 46987503 CRGIZFIOISVAEP-UHFFFAOYSA-N 247.323 2.773 0 40 BFAB CCc1ccc(CN[C@@H]2CCCC[C@H]2O)cc1 51990504 ICGOUAIRKMKHMJ-HUUCEWRRSA-N 233.355 2.642 0 40 BFAB Cc1nc(C)c(C(=O)N2CCCC[C@H]2C)s1 58872353 FGKANSRMOQJCFI-MRVPVSSYSA-N 238.356 2.775 0 40 BFAB CC(C)(C)OC(=O)NCCNc1ccccc1 60117119 XBWZGBZWELKIHV-UHFFFAOYSA-N 236.315 2.623 0 40 BFAB O=C(O)c1cc(F)c(OC2CCC2)c(F)c1 63004031 BGEUFXACNBNBGR-UHFFFAOYSA-N 228.194 2.594 0 40 BFAB C[C@@H]([C@@H](C)NCCc1ccccc1)n1cccn1 69967315 OPPUIAAYSRLHFZ-KGLIPLIRSA-N 243.354 2.665 0 40 BFAB CS[C@H]1CC[C@@H](Nc2nc(C)ns2)C1 78476829 HZBZAWXVXFZGFG-SFYZADRCSA-N 229.374 2.543 0 40 BFAB N[C@@H](c1cc(F)cc(Br)c1)C1CC1 84191656 BTUPEBRIODBODG-SNVBAGLBSA-N 244.107 2.998 0 40 BFAB in-vitro CC[C@@H]1CCCCCN1C(=O)[C@H]1CCCOC1 89948271 JAZYCAXUYWLUOE-QWHCGFSZSA-N 239.359 2.594 0 40 BFAB Cc1ccc(CC[C@H](C)NCC[C@H](C)O)cc1 95968050 BHTIBFFNNFXOPJ-KBPBESRZSA-N 235.371 2.677 0 40 BFAB COC(=O)c1cc(Cl)nc(CCC(C)C)n1 96524164 OBDBRIDXQCACLL-UHFFFAOYSA-N 242.706 2.505 0 40 BFAB C[C@@H](CN)N(C)C[C@H](C)CCc1ccccc1 97162647 XVGZMRVUUQZLLL-KGLIPLIRSA-N 234.387 2.534 0 40 BFAB CCCCN[C@@H]1[C@@H](O)[C@]2(C)CC[C@@H]1C2(C)C 100689197 RCCQWTLKSKHQCZ-FMSGJZPZSA-N 225.376 2.562 0 40 BFAB CC(C)Oc1c(C=O)ccc(F)c1F 107368225 JWRCRZHCAAYCIN-UHFFFAOYSA-N 200.184 2.565 0 40 BFAB Nc1scc(-c2ccccc2F)c1C(=O)O 111640447 GJWNQEZGSPLERP-UHFFFAOYSA-N 237.255 2.835 0 40 BFAB O=c1cccnn1CCCc1ccccc1Cl 195421883 DWHHRFSNTVQALD-UHFFFAOYSA-N 248.713 2.530 0 40 BFAB Cl[C@]12C[C@@H]3[C@H]4C[C@@](Cl)(O1)[C@@H]1[C@H]4C[C@H]3[C@@H]12 195528770 XACQLMSONRGALD-ZPNRDTMTSA-N 231.122 2.809 0 40 BFAB Cc1ccc(N[C@H]2CCC[C@H]2N)cc1C 218876655 VPIWXOZLZXIZAG-OLZOCXBDSA-N 204.317 2.595 0 40 BFAB CC[C@@H](C)n1nccc1CNc1cnn(C)c1C 256053210 QMZVGVFZIXCBJJ-SNVBAGLBSA-N 247.346 2.508 0 40 BFAB CN(Cc1ccc2c(n1)CCC2)C(C)(C)C 335450410 XMFBBAPVXOBCGI-UHFFFAOYSA-N 218.344 2.801 0 40 BFAB Cc1nn(C)cc1-c1cnc(C(C)(C)C)o1 904787887 NUSNUTDWBSISDQ-UHFFFAOYSA-N 219.288 2.681 0 40 BFAB Cc1c(-c2ccc(C(F)F)nc2)cnn1C 906198017 CPTVMDXCRJOCII-UHFFFAOYSA-N 223.226 2.728 0 40 BFAB O=C(C[C@H]1OC(=O)c2ccccc21)c1ccco1 2445007 QSZOMNJRXBXAMM-CYBMUJFWSA-N 242.230 2.764 0 40 BFAB CCOC(=O)CCC(=O)c1ccc(CC)cc1 2580353 FBWFWFSIBIKQJN-UHFFFAOYSA-N 234.295 2.775 0 40 BFAB C[C@@H](O)c1nc2c3ccccc3ccc2n1C 5503554 ODRBHRKZBLVVEH-SECBINFHSA-N 226.279 2.780 0 40 BFAB CO[C@H]1OC(=O)c2cccc3cccc1c23 5538959 RTXMOUPTTNLYJZ-ZDUSSCGKSA-N 214.220 2.655 0 40 BFAB O=C(O)C[C@@H](c1ccccc1F)n1cccc1 5766053 GHJWQKVBZZAKEQ-LBPRGKRZSA-N 233.242 2.691 0 40 BFAB COc1ccc(NC(=O)C2CCCCC2)cn1 7264482 RVZFFFQVDFVZBZ-UHFFFAOYSA-N 234.299 2.609 0 40 BFAB COc1ccc(NC(=O)C[C@H]2C=CCC2)cc1 7917409 VZNISIUAMIBOJV-NSHDSACASA-N 231.295 2.990 0 40 BFAB Cn1cc(C=O)c(-c2ccc(Cl)cc2)n1 8133028 SOTUVCYBLZTSTG-UHFFFAOYSA-N 220.659 2.553 0 40 BFAB in-vitro CC[C@@H](C(=O)O)n1ccc2ccccc21 8702172 ASQUXDYPFQSVTF-JTQLQIEISA-N 203.241 2.677 0 40 BFAB CC(C)c1csc(NC(=O)c2ccncc2)n1 10637047 KNEAZLNVEFKPPK-UHFFFAOYSA-N 247.323 2.914 0 40 BFAB C[C@@H]1C[C@@H]1C(=O)N(C)Cc1ccc(Cl)cc1 12979423 AHXDZHQQWSTZBK-SKDRFNHKSA-N 237.730 2.954 0 40 BFAB Cc1ccc(OCCN2CCCC[C@@H]2C)c(N)c1 13992572 HRPDBBKHZCQZKW-ZDUSSCGKSA-N 248.370 2.830 0 40 BFAB c1cc2c(c(O[C@@H]3CCCNC3)c1)CCCC2 14631616 UCVXIUQDUQFZAS-CYBMUJFWSA-N 231.339 2.696 0 40 BFAB in-vitro S=C(Nc1cccc2cccnc12)NC1CC1 16241643 WHRNIFOOUHKQFH-UHFFFAOYSA-N 243.335 2.684 0 40 BFAB CCSC(=O)c1cc(=O)c2ccccc2o1 17117776 VUVGICCNQYSFTN-UHFFFAOYSA-N 234.276 2.686 0 40 BFAB Cc1c(N)cccc1C(=O)N(C)c1ccccc1 20194495 ZTPBPNQYOSLCOJ-UHFFFAOYSA-N 240.306 2.854 0 40 BFAB Cc1cc(C(=O)O)ccc1NC(=O)c1ccoc1 21959358 GVQXOFXSYMAYHM-UHFFFAOYSA-N 245.234 2.539 0 40 BFAB O=C(c1cc(F)cc(F)c1)N1CCCCCC1 28210528 FEQUHHXFYAPEMS-UHFFFAOYSA-N 239.265 2.981 0 40 BFAB O=C(CCc1ccc(Cl)cc1)NC1CC1 28575519 OCPVGIIKPYHIGX-UHFFFAOYSA-N 223.703 2.551 0 40 BFAB Cc1ccc(CN(C)C(=O)[C@@H]2C[C@H]2C)c(C)c1 32748068 ARDGEESIKJTUTN-TZMCWYRMSA-N 231.339 2.918 0 40 BFAB O=C(O)C[C@@H]1CCC[C@H](C(F)(F)F)C1 34293464 BUJBAYNWPMAINK-RQJHMYQMSA-N 210.195 2.830 0 40 BFAB in-vitro Cc1ccc(C(=O)N(C)Cc2ccco2)s1 40459781 SDHGLIZXSPVCDI-UHFFFAOYSA-N 235.308 2.922 0 40 BFAB CC(C)C(=O)NCCSCc1ccsc1 40480836 VDPAFKUNTVKCRN-UHFFFAOYSA-N 243.397 2.754 0 40 BFAB Cc1ccc2nc(NCCCN(C)C)sc2c1 56900946 HTEXXXIBXSGKKQ-UHFFFAOYSA-N 249.383 2.968 0 40 BFAB CC(=O)c1c[nH]c(-c2ccncc2)c1C 66347481 XTORSZAODKLOMN-UHFFFAOYSA-N 200.241 2.588 0 40 BFAB CCC1CCC(CNC(=O)N2CCC2)CC1 69205734 LPEQIGRQWNHINB-UHFFFAOYSA-N 224.348 2.618 0 40 BFAB NC(=O)c1ccc(Oc2cccc(F)c2)cc1 69367564 UVPWVKAUVBEXCO-UHFFFAOYSA-N 231.226 2.717 0 40 BFAB CCc1ccc2[nH]cc(CCCO)c2c1 71487245 CFCLQIMWSBCDQC-UHFFFAOYSA-N 203.285 2.655 0 40 BFAB Cc1ccc(NC(=O)C2CC2)cc1OC(F)F 71908092 GXXAGGZFBUNTOP-UHFFFAOYSA-N 241.237 2.945 0 40 BFAB O=CN1CCCC[C@H]1c1ccc2[nH]ccc2c1 72221764 SIPPVHHPGHLKQH-AWEZNQCLSA-N 228.295 2.851 0 40 BFAB C=Cc1cnc(N2CCN(C(C)C)CC2)c(C)c1 72222675 YWHWQNBUWRAGIR-UHFFFAOYSA-N 245.370 2.563 0 40 BFAB C[C@@H]1COc2ccccc2N1C(=O)C1CC=CC1 72532233 YGKFQNHEHMZRES-LLVKDONJSA-N 243.306 2.767 0 40 BFAB CCCN(CC(=O)O)c1ccc(CC)cc1 76610626 IBGWBEOHBBRRBO-UHFFFAOYSA-N 221.300 2.550 0 40 BFAB CC(C)n1c(CO)nc2cccc(Cl)c21 82584718 UGFDJOLUTUWVAJ-UHFFFAOYSA-N 224.691 2.763 0 40 BFAB C[C@H](NCCSC(C)(C)C)c1cnn(C)c1 89516302 XFCZNLQQLDVHJK-JTQLQIEISA-N 241.404 2.602 0 40 BFAB COC(=O)CCc1cccc(C(F)(F)F)c1 95829621 QOJOGGQDFLABIX-UHFFFAOYSA-N 232.201 2.811 0 40 BFAB COc1cc(C)c(C=O)cc1Br 98063782 CVWXXVBSCRRCFA-UHFFFAOYSA-N 229.073 2.579 0 40 BFAB O=C(c1cnc(Cl)c(Cl)c1)C1CC1 242522189 ILHOWEUZMNXZOR-UHFFFAOYSA-N 216.067 2.981 0 40 BFAB COC(=O)c1ccc(C)c(F)c1SC 725325988 OGLCMYFSVWZGQK-UHFFFAOYSA-N 214.261 2.643 0 40 BFAB COc1cc2ccc3c(c2cc1OC)C=NCC3 1560118 YCSFHZULIQOJOK-UHFFFAOYSA-N 241.290 2.832 0 40 BFAB Cc1cccc(CO)c1-c1c(C)cccc1CO 1584884 APVANCOMZWSFHA-UHFFFAOYSA-N 242.318 2.955 0 40 BFAB CN1N=Nc2ccccc2[C@]1(O)c1ccccc1 2028694 ULNAYDRZRQZFPM-CQSZACIVSA-N 239.278 2.824 0 40 BFAB CCOC(=O)CCC(=O)c1ccc(C)c(C)c1 2378848 UXLMZKLDVOQALH-UHFFFAOYSA-N 234.295 2.829 0 40 BFAB NNc1nc2c(Cl)ccc(Cl)c2s1 2455665 RRAGSBRZTNXWEH-UHFFFAOYSA-N 234.111 2.889 0 40 BFAB aggregator Oc1c(-c2ccccn2)[nH]c2ccccc12 3845012 DJKIOLQWYCHODJ-UHFFFAOYSA-N 210.236 2.936 0 40 BFAB COc1ccc([C@@H]2CC[C@H](O)C2(C)C)cc1 3850100 BVOUDYVITANVBL-STQMWFEESA-N 220.312 2.960 0 40 BFAB biogenic COC(=O)[C@]1(c2ccccc2)CC1(Cl)Cl 4199691 PRDLECAGOIAWMW-SNVBAGLBSA-N 245.105 2.675 0 40 BFAB CCC(=O)[C@@H](C)C(=O)N(CC(C)C)CC(C)C 5498017 FGDPRWSZCPRNTE-GFCCVEGCSA-N 241.375 2.742 0 40 BFAB N[C@H](COC(=O)c1ccccc1)c1ccccc1 5604221 JBNGFPIHGVZGFZ-CQSZACIVSA-N 241.290 2.543 0 40 BFAB CCC(=O)c1ccc(NC(=O)C(F)(F)F)cc1 5614571 DDBIKMAVWIZEPU-UHFFFAOYSA-N 245.200 2.780 0 40 BFAB CC[C@H](C)C(=O)Nc1ccc(N)c(C)c1 8703486 PBXOCHALHVMXSX-QMMMGPOBSA-N 206.289 2.562 0 40 BFAB Cc1ccc(CCC(=O)NC2CCCC2)cc1 10371542 RAJDRUSNGGQHIS-UHFFFAOYSA-N 231.339 2.986 0 40 BFAB CCOc1ccccc1-c1noc(C)c1C(=O)O 11627980 RYZKBUGADDMQGL-UHFFFAOYSA-N 247.250 2.747 0 40 BFAB c1ccc([C@H]2NCCOc3ccccc32)cc1 11802732 ASXUBMZTLQFDSA-OAHLLOKOSA-N 225.291 2.758 0 40 BFAB CCCCC(=O)N[C@H](CC(=O)O)c1ccccc1 13427745 KXSMRHCHMHJBGS-GFCCVEGCSA-N 249.310 2.509 0 40 BFAB CONC(=O)c1ccc(Oc2ccccc2)cc1 14247286 XZOCAOGBQRLSKV-UHFFFAOYSA-N 243.262 2.770 0 40 BFAB CCn1cnc2c(Cl)cc(Cl)cc2c1=O 16615981 JDVRRRCLFFJROH-UHFFFAOYSA-N 243.093 2.723 0 40 BFAB Cc1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 16661813 CWHJJRXWQHGXBU-CHWSQXEVSA-N 243.306 2.675 0 40 BFAB CC(C)Oc1ccc(/C=C\[N+](=O)[O-])cc1 17001710 MKAVWDRRDKUNDX-FPLPWBNLSA-N 207.229 2.721 0 40 BFAB Cc1cccc(C(=O)Nc2cc(N)ccc2F)c1 19736558 SFAUUVNDSOZBIN-UHFFFAOYSA-N 244.269 2.969 0 40 BFAB CCCOc1c(C)cc(C(=O)O)cc1C 20120516 WLNUWNUAPJNPSH-UHFFFAOYSA-N 208.257 2.790 0 40 BFAB Cc1cc(C(C)(C)C)cc(C)c1CNN 22149297 NFHKUKSZBFAZCF-UHFFFAOYSA-N 206.333 2.564 0 40 BFAB O=C(O)c1cnc(Cl)c(Cl)c1Cl 35874654 GDRLWCPMLULBNF-UHFFFAOYSA-N 226.446 2.740 0 40 BFAB in-vitro O[C@@H](c1ccoc1)c1ccc(F)c(F)c1 40254694 CUAWIWJZOKNUOZ-LLVKDONJSA-N 210.179 2.640 0 40 BFAB CC(C)c1noc(CN2CCCC[C@H]2C)n1 40489581 HYCYRNWGBSBBBZ-SNVBAGLBSA-N 223.320 2.567 0 40 BFAB CC(=O)N1CCC[C@H]1c1ccc(F)cc1 42026856 BJAMWJPPUROTGA-LBPRGKRZSA-N 207.248 2.509 0 40 BFAB CC(C)(C(=O)O)c1cnc2ccccc2c1 42784379 XOLHEIBNNUGNGO-UHFFFAOYSA-N 215.252 2.597 0 40 BFAB C[C@@H]1CCCCN1c1cc(N)c(Cl)cc1N 45891222 KXDNCAJBAHGGBS-MRVPVSSYSA-N 239.750 2.883 0 40 BFAB O=C(NCc1ccoc1)Nc1ccccc1F 47698689 BMLKWBSGZIMIPB-UHFFFAOYSA-N 234.230 2.740 0 40 BFAB CC[C@@H](C)C(=O)Nc1ccc2oc(=O)ccc2c1 48810725 HYABZOLPQNOSFW-SECBINFHSA-N 245.278 2.778 0 40 BFAB CC[C@H](O)Cc1c(F)cccc1Cl 49346887 ZIXDCFFMHSBRQS-ZETCQYMHSA-N 202.656 2.793 0 40 BFAB COc1ccccc1NC[C@@H]1CCC=CO1 50267162 INEDZAFRZISYQZ-NSHDSACASA-N 219.284 2.800 0 40 BFAB CCCc1nnnn1Cc1c(C)cc(C)cc1C 68069193 GUHQBRCWBHTXMR-UHFFFAOYSA-N 244.342 2.599 0 40 BFAB Cc1ccccc1CN[C@@H](C)[C@@H](C)n1cccn1 69372241 VTZHRMQIAUFTNW-UONOGXRCSA-N 243.354 2.931 0 40 BFAB Cc1cc(OC(C)C)cc(C)c1C(=O)O 71456905 LSSLZIWTSGVMCL-UHFFFAOYSA-N 208.257 2.789 0 40 BFAB Cc1ncccc1[C@H]1CCCN1C(C)C 72211291 JTXVJKKTPDGJIW-CYBMUJFWSA-N 204.317 2.935 0 40 BFAB CCN1CCCC[C@@H]1c1cnc(OC)c(C)c1 72217737 AVWYFRYJJOYUGJ-CYBMUJFWSA-N 234.343 2.946 0 40 BFAB CC(C)Oc1nsnc1-c1cccc(N)c1 72226415 NFOSCVMQOKJVRK-UHFFFAOYSA-N 235.312 2.575 0 40 BFAB CCc1ccc(NC(=O)[C@@H]2CCCN(C)C2)cc1 82323271 VOXYODSCHRSPLN-CYBMUJFWSA-N 246.354 2.529 0 40 BFAB Cc1[nH]c2ccc(OC(C)C)cc2c1CN 82597376 WJFUNESBMQVOTG-UHFFFAOYSA-N 218.300 2.722 0 40 BFAB O[C@@H](c1c(F)cccc1Cl)C1CC1 84194160 QOAKHRPBFJOKQY-SNVBAGLBSA-N 200.640 2.923 0 40 BFAB CC(C)C(=O)c1ccc(O)c(Br)c1 88120931 UWWAHYDPLBCHHU-UHFFFAOYSA-N 243.100 2.993 0 40 BFAB Cc1nccn1CCCOc1ccccc1F 89735696 FIRBXTAPCCRHDD-UHFFFAOYSA-N 234.274 2.800 0 40 BFAB Oc1c(Br)ccc(Cl)c1F 90413266 WAUJWVZWKHKUEK-UHFFFAOYSA-N 225.444 2.947 0 40 BFAB in-vitro c1cnc(N2CCSC3(CCCCC3)C2)cn1 95964260 NLAUJKBWUYZJOS-UHFFFAOYSA-N 249.383 2.733 0 40 BFAB CCSc1cc(Cl)ccc1C(=O)NC 97141802 JMTXSDKUGSUYDX-UHFFFAOYSA-N 229.732 2.812 0 40 BFAB O=C1Nc2ccccc2[C@H]1Cc1ccccc1 100002714 SJEHQYIHAFTLMS-CYBMUJFWSA-N 223.275 2.965 0 40 BFAB O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc(F)cc1 100056859 KEYGOTKLCRWNDY-RYUDHWBXSA-N 247.269 2.505 0 40 BFAB FC(F)(F)C(F)(F)c1cscn1 144651079 XUJFVKVKUXFRJS-UHFFFAOYSA-N 203.135 2.797 0 40 BFAB COc1ccc(-c2ccc(F)nc2)cc1C=O 167239627 LMXOLMAFOZHPEU-UHFFFAOYSA-N 231.226 2.709 0 40 BFAB CCc1cc(Br)ccc1C(=O)OC 167697601 FFVNCXKOXIRVHQ-UHFFFAOYSA-N 243.100 2.798 0 40 BFAB S=C(Nc1ccncc1)N[C@H]1C[C@H]2CC[C@@H]1C2 225325134 XWNMYFCNWPYUGI-UMNHJUIQSA-N 247.367 2.557 0 40 BFAB Cc1ccc2c(c1)nc1n2CC[C@@H](C)C1 226251464 JDZOBWXHCXFBJF-SNVBAGLBSA-N 200.285 2.927 0 40 BFAB OC1(Cc2cccc(Cl)c2F)CCOCC1 228251081 SMZITNUAELLOJW-UHFFFAOYSA-N 244.693 2.563 0 40 BFAB C[C@](O)(c1cccnc1Cl)C(F)(F)F 256053580 SAFPOWOZROHCCH-ZETCQYMHSA-N 225.597 2.505 0 40 BFAB CCN1CCCC[C@H]1c1cc(C)n2ccnc2n1 257297272 RGOGZNUROFGEEV-ZDUSSCGKSA-N 244.342 2.585 0 40 BFAB CCc1cccc(C(=O)CCCC(=O)OC)c1 575359143 SAKKKJUQFSSRJD-UHFFFAOYSA-N 234.295 2.775 0 40 BFAB CC(C)C(=O)NCc1cc(-c2ccccc2)no1 1398122 FTHWHQSOIJMWOS-UHFFFAOYSA-N 244.294 2.614 0 40 BFAB CCC(=O)NCCCCCCN1CCCCC1 1646511 ZMLZAJOSJSZWNW-UHFFFAOYSA-N 240.391 2.559 0 40 BFAB CC(=O)CC(C)(C)OCc1ccccc1 1677902 KCXABKAWQWNVMX-UHFFFAOYSA-N 206.285 2.961 0 40 BFAB CC1CCN(C(=O)c2cccc(F)c2F)CC1 2810974 BKYGZAZIUWMXGV-UHFFFAOYSA-N 239.265 2.837 0 40 BFAB CC(=O)O[C@H]1C[C@@H]2CC[C@]13CCCC[C@H]23 4538263 BSPSZYSOSCHMNE-RNJOBUHISA-N 208.301 2.908 0 40 BFAB O=C1N[C@@H](c2ccccc2)c2ccccc21 4974344 WSKBLLFHGABBEW-ZDUSSCGKSA-N 209.248 2.519 0 40 BFAB CC(C)CNC(=S)NCCC1=CCCCC1 5497936 BJPXLZUACXPLBT-UHFFFAOYSA-N 240.416 2.997 0 40 BFAB CCCn1c(NC(=O)C2CC2)nc2ccccc21 6153902 KUNRUMXQPNWQKB-UHFFFAOYSA-N 243.310 2.795 0 40 BFAB CC(C)c1cc(CNC(=O)OC(C)(C)C)on1 8614812 JBNXTGLEXMQKHD-UHFFFAOYSA-N 240.303 2.823 0 40 BFAB CCCc1n[nH]c(N)c1-c1cccs1 8701432 LANIKUCSBRRCBI-UHFFFAOYSA-N 207.302 2.673 0 40 BFAB Nc1ccc(-n2ccc(C(F)(F)F)n2)c(F)c1 12395409 NIDQSEJKHUEIDQ-UHFFFAOYSA-N 245.179 2.612 0 40 BFAB Cc1ccc(NC(=O)Nc2nnc(C)s2)cc1 17057050 JNNWKCKKOBSWBA-UHFFFAOYSA-N 248.311 2.799 0 40 BFAB [O-][n+]1cccc(CCc2cccc(Cl)c2)c1 22054805 ZELCJWGXNLFDPT-UHFFFAOYSA-N 233.698 2.759 0 40 BFAB in-vitro O=C(CCc1cccc(F)c1)Nc1ccncc1 24620118 ZSTDBWOSRNTMKR-UHFFFAOYSA-N 244.269 2.792 0 40 BFAB O=C1OCN(c2ccccc2)c2ccccc21 28580534 OJVFIJUQEKMZNS-UHFFFAOYSA-N 225.247 2.953 0 40 BFAB OCc1ccccc1NC1CCCCC1 37133795 LAJAQHGRIOIMGK-UHFFFAOYSA-N 205.301 2.924 0 40 BFAB C[C@@H](NC1CCSCC1)c1cccc(O)c1 37151753 OXPMXVNBWLFYCL-SNVBAGLBSA-N 237.368 2.938 0 40 BFAB CCCC(=O)Nc1nnc(-c2cccc(F)c2)o1 38552603 PFROWMDJCVOHFE-UHFFFAOYSA-N 249.245 2.614 0 40 BFAB Cc1cccc(NC(=O)c2ccc(F)c(F)c2)n1 40395816 FBBHBWKXALNSTR-UHFFFAOYSA-N 248.232 2.921 0 40 BFAB CCCNC(=O)Nc1cccc(OC(F)F)c1 40540539 OTSXSLVPRCJUOX-UHFFFAOYSA-N 244.241 2.820 0 40 BFAB CCC[C@H](C(=O)NCCCOC)c1ccccc1 47465894 FOIOHBVEOJBSAF-AWEZNQCLSA-N 249.354 2.723 0 40 BFAB CC(C)c1cccc(NC(=N)NC2CC2)c1 52069854 QFTWABOSFHEVEU-UHFFFAOYSA-N 217.316 2.909 0 40 BFAB CCOC(=O)c1cccc2cccc(N)c12 57353820 OXETXJPBVMYXKZ-UHFFFAOYSA-N 215.252 2.599 0 40 BFAB CNCCCNCc1ccc(Cl)c(Cl)c1 57362401 YZBAPRCKPXIBPV-UHFFFAOYSA-N 247.169 2.693 0 40 BFAB CCN1CCC[C@H]1c1cnc(N(C)C)cc1C 72218672 WQXKKEQCJANMHW-ZDUSSCGKSA-N 233.359 2.613 0 40 BFAB Cc1cc(C=O)cnc1N(C)Cc1ccccc1 72222345 GCJQNVMMRATZGN-UHFFFAOYSA-N 240.306 2.839 0 40 BFAB COc1ccccc1OCCn1cnc(C)c1C 89547625 ILDILBWJYRRQFJ-UHFFFAOYSA-N 246.310 2.588 0 40 BFAB CCCOc1cc(C=O)cc(F)c1F 95727200 YNUNHGPHWIGWDM-UHFFFAOYSA-N 200.184 2.566 0 40 BFAB C[C@H](CSC(C)(C)C)N[C@H]1CCCC[C@@H]1O 95967964 WJQZPJXXFDJFPX-WOPDTQHZSA-N 245.432 2.800 0 40 BFAB O=C(O)c1nn(-c2ccccc2)c2ccccc12 96028265 HSAZLBYRKSQEJB-UHFFFAOYSA-N 238.246 2.724 0 40 BFAB Cc1nn(-c2ccccn2)c2c1[C@H]1[C@H](C2)C1(C)C 100578110 RIMGAEPYRPNVBQ-IINYFYTJSA-N 239.322 2.871 0 40 BFAB CC1(C)[C@H]2CC[C@]1(CS(O)(O)O)C(=O)C2 101034999 AOHRENLQCLCQJO-XVKPBYJWSA-N 234.317 2.605 0 40 BFAB CCNC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 102957227 DFFQUCNFVJXQPS-ITSCGTHASA-N 241.762 2.700 0 40 BFAB CC(C)c1cccc(C(C)C)c1CC(N)=O 141828600 NIKFQKLDMBBGEQ-UHFFFAOYSA-N 219.328 2.961 0 40 BFAB CN(C)C(=O)CSCc1ccccc1Cl 192544054 GVRNMBDRQBVFJZ-UHFFFAOYSA-N 243.759 2.661 0 40 BFAB Cc1ccsc1CN1CC[C@H](c2ccn[nH]2)C1 205676247 VYRDEARTBXNMIW-NSHDSACASA-N 247.367 2.769 0 40 BFAB CCO[C@@H](Cc1c(C)cc(C)cc1C)C(=O)O 225137575 IFIJKVUUVGUJPD-ZDUSSCGKSA-N 236.311 2.644 0 40 BFAB Cn1c(C=O)ccc1CCc1ccccc1 226028141 QZVWCJAEAFMVIH-UHFFFAOYSA-N 213.280 2.623 0 40 BFAB CCn1ncc(C)c1CNCc1ccc(F)cc1 256052962 PJURHLMAIJEOBH-UHFFFAOYSA-N 247.317 2.640 0 40 BFAB O=C(O)CN(c1ccccc1)c1ccccc1 151232 KFLKTDAONDZLAN-UHFFFAOYSA-N 227.263 2.909 0 40 BFAB CC(C)(C)C(=O)OCc1ccc2c(c1)OCO2 1597861 QIKMSBWNVVQENG-UHFFFAOYSA-N 236.267 2.505 0 40 BFAB CC(C)=C=C[P@@](=O)(O)c1ccccc1 1642302 VGXOLLDHRZHIIF-UHFFFAOYSA-N 208.197 2.661 0 40 BFAB Oc1ccccc1COCc1ccccc1O 1679785 PLNNBRYFKARCEV-UHFFFAOYSA-N 230.263 2.815 0 40 BFAB biogenic,in-vitro CC(C)OCCCNCc1cccs1 2522996 AMEMZNXNULVHMD-UHFFFAOYSA-N 213.346 2.653 0 40 BFAB CCCCCn1c(=O)[nH]c2ccccc21 2713419 VDBICZQGOMZXJT-UHFFFAOYSA-N 204.273 2.520 0 40 BFAB CC1(C)[C@@H]2[C@H]3[C@H](CC[C@]3(C)O)[C@](C)(O)CC[C@H]21 4104695 DWNPMJOWAWGIMM-QANKYFMGSA-N 238.371 2.581 0 40 BFAB biogenic,in-vitro Cc1ccc(OCCn2cccn2)c(C)c1 4106958 WERKJSGFDSUFQN-UHFFFAOYSA-N 216.284 2.579 0 40 BFAB c1ccc(CNC2C3CC4CC(C3)CC2C4)nc1 4935082 KJGIBQZJZHZXPH-UHFFFAOYSA-N 242.366 2.996 0 40 BFAB CN1C(=O)S/C(=C/C=C/c2ccco2)C1=O 5904308 OHCDKDLZVIVZAL-PPVYKKJJSA-N 235.264 2.502 0 40 BFAB Cn1cccc1C(=O)OCc1ccc(F)cc1 6507913 OWIQWFUZQDDZDO-UHFFFAOYSA-N 233.242 2.521 0 40 BFAB COc1ccc(-c2csc(NC#N)n2)cc1 13638871 XNAVMGQSBIZAQY-UHFFFAOYSA-N 231.280 2.712 0 40 BFAB CC(C)c1ccc([C@H](C)N2CCNCC2)cc1 20264240 SZYPNPJKVLKOFF-ZDUSSCGKSA-N 232.371 2.776 0 40 BFAB COc1ccc(-c2c[nH]c(=S)n2C)cc1 26424337 ISJSMIGFALWQBH-UHFFFAOYSA-N 220.297 2.758 0 40 BFAB O=C(O)[C@@H]1Cc2ccccc2N1c1ccccc1 26439086 NYCKZXCDROKASX-AWEZNQCLSA-N 239.274 2.834 0 40 BFAB Cc1noc(C)c1-c1ccc(C=O)cc1 40447851 FIQNXMIUHQZTDY-UHFFFAOYSA-N 201.225 2.771 0 40 BFAB CC1CCN([C@](C)(C(=O)O)c2ccccc2)CC1 41840562 CCDWQWZKWSZEFI-HNNXBMFYSA-N 247.338 2.718 0 40 BFAB CC(=O)Nc1ccc(-n2nc(C)cc2C)c(F)c1 47409278 BITCLKGJEJFYND-UHFFFAOYSA-N 247.273 2.587 0 40 BFAB COc1ccc(C)cc1C[C@@H](N)C(C)C 50706598 ILVOXRLJQOYWPZ-GFCCVEGCSA-N 207.317 2.529 0 40 BFAB in-vitro O=C(Nc1ccc2ccccc2n1)c1cccnc1 57676201 CKXRMNVOYPPLEZ-UHFFFAOYSA-N 249.273 2.882 0 40 BFAB CC(C)(C)c1ccc([C@H]2CCC(=O)N2)cc1 57939387 NSCFJFHMQSJJAB-GFCCVEGCSA-N 217.312 2.935 0 40 BFAB CC(C)(C)c1ccc2c(c1)CCC(=O)N2 62323012 LKXCQJMPEBPSNR-UHFFFAOYSA-N 203.285 2.869 0 40 BFAB CC(C)=CC(=O)Nc1ccc2c(c1)CCN2 63187947 WCPMNVSZBPRTRG-UHFFFAOYSA-N 216.284 2.559 0 40 BFAB C[C@@H](N)c1csc(-c2ccc(F)cc2)n1 70840223 SHFAHQKGCDUOLI-SSDOTTSWSA-N 222.288 2.969 0 40 BFAB O=C([C@@H]1CCCO1)N1CCC[C@]2(CC=CCC2)C1 71907713 NKBUXDBGEDFFBY-DZGCQCFKSA-N 249.354 2.514 0 40 BFAB C[C@H](Cc1c[nH]c2ccccc12)NC1CC1 72210202 VHFDKUONKPNASA-SNVBAGLBSA-N 214.312 2.851 0 40 BFAB CCCN1CCCC[C@H]1c1c[nH]c(=O)c(C)c1 72217976 YWEFFEPVIJTEDI-ZDUSSCGKSA-N 234.343 2.620 0 40 BFAB C/C=C/CCNC(=O)c1ccccc1C(C)=O 73726591 MCJQAAGZNOPQCH-ONEGZZNKSA-N 231.295 2.585 0 40 BFAB COCc1ccc(SCC(C)(C)O)cc1 75092262 JQNDTXPQASIXRY-UHFFFAOYSA-N 226.341 2.696 0 40 BFAB O=C(O)C1(c2cc(Cl)ccc2F)CCC1 75934008 OFNTZIMZZGYOSB-UHFFFAOYSA-N 228.650 2.985 0 40 BFAB COc1ccc2ncc(C(=O)O)c(Cl)c2c1 82049599 ZHZOKWFJQCRERH-UHFFFAOYSA-N 237.642 2.595 0 40 BFAB C[C@@H]1CCc2nc(Cl)nc(Cl)c2C1 84123200 UIZDLYYZZKWFNH-RXMQYKEDSA-N 217.099 2.908 0 40 BFAB Clc1nc([C@H]2CCCO2)nc2cnccc12 95095853 MUSBCYDPXVXHLR-SECBINFHSA-N 235.674 2.530 0 40 BFAB CC1=CCC[C@@H](C)[C@H]1CNCCc1nccn1C 97098940 KSDLLYUGTCHCJN-KGLIPLIRSA-N 247.386 2.545 0 40 BFAB CSCCCCNc1cccc(C)n1 97162585 XGKBUMBQGVRVOC-UHFFFAOYSA-N 210.346 2.945 0 40 BFAB Cn1nccc1CN[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 101925380 IYLQFEAFRDFFHQ-OSAQELSMSA-N 247.386 2.725 0 40 BFAB C1=CC[C@]23C=C[C@]2(C1)[C@@H]1C=C[C@@H]3[C@H]2COC[C@@H]21 104286570 QXBDRQSGBBHKCP-KPRKPIBOSA-N 226.319 2.957 0 40 BFAB CC1(C)OCC(COCc2ccccc2)CO1 117347933 YGIKXAGSKRRXED-UHFFFAOYSA-N 236.311 2.602 0 40 BFAB in-vitro CC[C@@H](O)c1ccc(C(F)(F)F)nc1 144460855 LQDNZBCTHSULMT-SSDOTTSWSA-N 205.179 2.544 0 40 BFAB CCOc1c(C)cc(Br)cc1C=O 159309211 QLULZQCIHQTXMJ-UHFFFAOYSA-N 243.100 2.969 0 40 BFAB Nc1ncc(-c2ccccc2Br)o1 199791519 WREFEDQTTRWFRM-UHFFFAOYSA-N 239.072 2.686 0 40 BFAB COc1cc(F)c(C(=O)CCSC)cc1F 259060311 GZXDCBIQJPMLJA-UHFFFAOYSA-N 246.278 2.909 0 40 BFAB CC(C)CC(=O)c1cccc(F)c1C#N 382356455 ITMHFHUMRAQHAD-UHFFFAOYSA-N 205.232 2.926 0 40 BFAB CCc1cc(C(=O)COC(C)=O)ccc1Cl 382739774 YWHBENRJBAJQAM-UHFFFAOYSA-N 240.686 2.648 0 40 BFAB CCCCn1ncc(Cl)c1C(=O)OCC 408716958 TXJYDTIXXLOFFX-UHFFFAOYSA-N 230.695 2.513 0 40 BFAB Fc1ccc2c(N3C4CCC3CC4)ncnc2c1 1159078068 QPDCXXBUCZBOHK-UHFFFAOYSA-N 243.285 2.900 0 40 BFAB CC(C)[C@H]1CN2C(=N1)Sc1ccccc12 1857775645 NRFXELMCDBIMBQ-SECBINFHSA-N 218.325 2.993 0 40 BFAB c1ccc(-c2nnc3ccccc3n2)cc1 1041017 ANTRTFJLKRDGLU-UHFFFAOYSA-N 207.236 2.692 0 40 BFAB CCOc1ccc([C@@H]2OC[C@H](C)O2)cc1OC 1677887 FLQVOGLTZVMLFX-TVQRCGJNSA-N 238.283 2.528 0 40 BFAB CCOCCOC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C 1719042 DQVVDRPUOJAUTM-RYUDHWBXSA-N 240.343 2.805 0 40 BFAB Cc1sc2nc(S)nc(S)c2c1C 4665090 RUZRIJPXQURTHC-UHFFFAOYSA-N 228.367 2.886 0 40 BFAB COc1ccc(C[C@@H]2CC3CCN2CC3)cc1 5164262 DDJNBDMDELMOTG-CQSZACIVSA-N 231.339 2.722 0 40 BFAB Cc1ccc(C(=O)OCC(=O)c2ccccc2)o1 11565723 OXKDQNJAHGFDEZ-UHFFFAOYSA-N 244.246 2.628 0 40 BFAB CNC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 12027745 NBHUHIDFSMVHQJ-NSHDSACASA-N 219.328 2.735 0 40 BFAB CC(C)c1noc2nc(C3CC3)cc(C(=O)O)c12 16807324 OSUYSRDLVHWIMU-UHFFFAOYSA-N 246.266 2.922 0 40 BFAB Cc1cccc(NC[C@@H]2CCOC2)c1C 19964327 WWHZWRQNMDTZJH-LBPRGKRZSA-N 205.301 2.752 0 40 BFAB Cc1ccc(-c2nc3cnccc3o2)cc1N 20158662 ZTBMXUAPXPVBBG-UHFFFAOYSA-N 225.251 2.780 0 40 BFAB Nc1ccc(NC(=O)c2ccncc2)c(Cl)c1 20344226 UTHKZUGFEHEVNW-UHFFFAOYSA-N 247.685 2.570 0 40 BFAB CCOC(=O)c1cc(-c2cccc(C)c2)on1 26547650 JHFSORPOVYRMJN-UHFFFAOYSA-N 231.251 2.827 0 40 BFAB O=C(CCc1ccccc1F)Nc1ccncc1 32725977 VCAVEAJSWLAWHD-UHFFFAOYSA-N 244.269 2.792 0 40 BFAB Cc1noc(C)c1CN(C(C)C)C1CC1 32777889 IBXKHPFPEMWVSS-UHFFFAOYSA-N 208.305 2.664 0 40 BFAB COc1cc2ccccc2c(OC)c1C(=O)O 34188321 YBVIZNRCTMYKCN-UHFFFAOYSA-N 232.235 2.555 0 40 BFAB CSc1snc(C(F)(F)F)c1C(=O)O 34512271 NQXZMVCVHVUEGY-UHFFFAOYSA-N 243.231 2.582 0 40 BFAB Cc1nc(N(C)Cc2ccccc2)ccc1N 36251004 TVLJLAWWVBPRDX-UHFFFAOYSA-N 227.311 2.609 0 40 BFAB Cc1ccc(C[C@H](N)c2cccnc2)cc1 37992498 HCRKBJLZKQRRRC-AWEZNQCLSA-N 212.296 2.633 0 40 BFAB in-vitro c1ccc([C@H]2CCN[C@H](CN3CCCC3)C2)cc1 39982823 NEMBOXPYMBMMTE-HOTGVXAUSA-N 244.382 2.618 0 40 BFAB Cc1ccc(CN(C)C(=O)c2ccc(C)o2)o1 40459512 YGFLONMAWUYIBR-UHFFFAOYSA-N 233.267 2.762 0 40 BFAB O=C(CCNc1ccccc1)Nc1cccnc1 40494242 AZBXSPQSFVKMRQ-UHFFFAOYSA-N 241.294 2.522 0 40 BFAB Cc1nnc(SCc2ccc(F)cc2)o1 41368555 MWZDHQLWBFZJQA-UHFFFAOYSA-N 224.260 2.809 0 40 BFAB CC(C)(C)c1ccccc1OC[C@@H]1CCNC1 42772451 QVRWDQAEMGYTEN-GFCCVEGCSA-N 233.355 2.972 0 40 BFAB CC/C=C(\C)C(=O)N[C@@H](C)c1ccncc1 46041944 OTOHBJPCRLPNHV-UAWPZABVSA-N 218.300 2.615 0 40 BFAB Cc1nc(-c2ccsc2)ccc1C(=O)O 47844250 FUCJUGOLMYVBFE-UHFFFAOYSA-N 219.265 2.817 0 40 BFAB in-vitro c1c[nH]c(CNc2ccc3c(c2)CCC3)n1 49714539 GWKISTURBUVBAE-UHFFFAOYSA-N 213.284 2.511 0 40 BFAB CCNc1ccc(NC(=O)c2ccco2)cc1 62796933 XHRLRDFMYFXCTA-UHFFFAOYSA-N 230.267 2.964 0 40 BFAB O=Cc1cc(-c2ccccc2C(=O)O)cs1 65339742 RTPGHNLMSZRVRT-UHFFFAOYSA-N 232.260 2.926 0 40 BFAB Nc1nccc(-c2ccc(-c3ccccc3)nc2)n1 66054600 RNOAEUXTBUAPAZ-UHFFFAOYSA-N 248.289 2.788 0 40 BFAB O[C@H](c1ccc2ncccc2c1)C(F)(F)F 69051001 GPWFGVJGFGBOTD-SNVBAGLBSA-N 227.185 2.831 0 40 BFAB CCOC(=O)C[C@@H](NC1CC1)c1ccc(C)cc1 72210289 RCDSIHPBKREHKB-CQSZACIVSA-N 247.338 2.741 0 40 BFAB c1cnc(NC2CCC2)c([C@@H]2CCCCN2)c1 72213910 ZLHYWIVOOHYQRX-ZDUSSCGKSA-N 231.343 2.861 0 40 BFAB CCC(=O)c1ccc(N2CCCCC2)nc1C 72224542 BOLSRKOHBLBXGX-UHFFFAOYSA-N 232.327 2.973 0 40 BFAB Cc1nccn1C[C@H](C)OC(=O)CC(C)(C)C 75109495 WBOZSOHZUZVUJC-JTQLQIEISA-N 238.331 2.559 0 40 BFAB COC(=O)c1cc(C)c(Br)cc1C 82725200 ZCPFWYVGOCOTQY-UHFFFAOYSA-N 243.100 2.853 0 40 BFAB Cc1ccnc2ccc(CCC(=O)O)cc12 82780842 HENBFHVMGIELLS-UHFFFAOYSA-N 215.252 2.560 0 40 BFAB CNCCOC1CCC(c2ccccc2)CC1 85391396 YPCYRBTWIVZQEF-UHFFFAOYSA-N 233.355 2.949 0 40 BFAB CC(C)(C)SCC(=O)N1C[C@H]2[C@@H](C1)C2(C)C 89917673 RCPQPOJTVXHDLW-AOOOYVTPSA-N 241.400 2.633 0 40 BFAB CC(=O)Nc1ccc(CN(C)CC2CCC2)cc1 95430508 APRVCCLZOUVMNV-UHFFFAOYSA-N 246.354 2.877 0 40 BFAB Cc1ccc([C@H](O)c2cccn2C)cc1C 95727760 SYTPXLZQMJKMJV-AWEZNQCLSA-N 215.296 2.724 0 40 BFAB Clc1ccc2cc(Br)nn2c1 95742637 DRCCOUCJDHZZMY-UHFFFAOYSA-N 231.480 2.750 0 40 BFAB Cc1ncnc2cc(Br)ccc12 95917746 ZGMAPPMUBRINJT-UHFFFAOYSA-N 223.073 2.701 0 40 BFAB O=c1[nH]c(Nc2cccnc2)cc2ccccc12 96034423 SQKITEYMEDVJIE-UHFFFAOYSA-N 237.262 2.667 0 40 BFAB in-vitro O=C(O)[C@H]1C[C@H]1[C@@H]1C[C@@H]1c1ccccc1 96509511 XFIGCNCLVXGNDI-WYUUTHIRSA-N 202.253 2.511 0 40 BFAB CCCN(CC[C@H](N)C(C)C)Cc1ccco1 96523804 UKDZZCNKBUYJPD-AWEZNQCLSA-N 238.375 2.865 0 40 BFAB COc1cccc([C@@H](C)N[C@@]2(C)CCOC2)c1 97038565 WIADIDWOFLZPIB-RISCZKNCSA-N 235.327 2.525 0 40 BFAB CCC(=O)c1cc(Br)ncc1F 199727592 CEIORMAXOJHVEE-UHFFFAOYSA-N 232.052 2.576 0 40 BFAB Cc1ccc(N[C@@H]2CCC[C@@H]2N)c(C)c1 218878057 CHNCPNWMSQSIDT-WCQYABFASA-N 204.317 2.595 0 40 BFAB Cc1cc2nc(C)n(C3CC3)c2cc1N 223769980 QARANTBBSPTYSF-UHFFFAOYSA-N 201.273 2.570 0 40 BFAB O[C@@H]1CCCC[C@H]1N1CCCc2ccccc21 225110638 YYBGJBFHLQOMBN-HUUCEWRRSA-N 231.339 2.743 0 40 BFAB CCc1ccc(CNCc2ccc(OC)cc2)[nH]1 226019390 AAOOTZPJEOQFAK-UHFFFAOYSA-N 244.338 2.876 0 40 BFAB C[C@@H]1[C@H]2CCC[C@H](C2=O)[C@]2(O)CCCC[C@H]12 252694098 HZMOLOUVPKADBE-SKENRDBWSA-N 222.328 2.543 0 40 BFAB biogenic CCn1cc(NCc2cnn(C(C)C)c2C)cn1 256051794 KNEJDEQWXOYWFC-UHFFFAOYSA-N 247.346 2.601 0 40 BFAB Cc1ccc(Cl)cc1N(C)[C@H](C)C(=O)O 260677554 HQXXMWZBJOQKMM-MRVPVSSYSA-N 227.691 2.558 0 40 BFAB O=C(O)[C@H]1C[C@@H]1c1ccccc1OCC(F)F 408716091 ITSZTAGLDKTSAB-BDAKNGLRSA-N 242.221 2.519 0 40 BFAB Cc1cnn(Cc2cc(F)cc(F)c2)c1 1775985849 CAUWLZHFCDCAQD-UHFFFAOYSA-N 208.211 2.518 0 40 BFAB COc1nc(-c2ccncc2)nc2ccccc12 102207 CITNOEGVWLNGTQ-UHFFFAOYSA-N 237.262 2.700 0 40 BFAB C[C@@H]1CCCCN1C(=O)c1cccnc1Cl 1480359 FJJONAHGVJUXRU-SECBINFHSA-N 238.718 2.750 0 40 BFAB O=c1oc(-c2ccccc2)nc2c1CCCS2 1582629 JOEHYMCADCYHJV-UHFFFAOYSA-N 245.303 2.740 0 40 BFAB CCN(CC)CCCN1C[C@H]2CCCC[C@H]2C1 1676239 JPQGOWFNIVVTHE-GASCZTMLSA-N 238.419 2.840 0 40 BFAB COc1cc2c(cc1OC)-c1oncc1CCC2 1699182 SIHZGYXYOMMOAZ-UHFFFAOYSA-N 245.278 2.848 0 40 BFAB CCCCNC(=O)/C=C/c1ccccc1OC 1782434 HZWLQJDQARFZHJ-MDZDMXLPSA-N 233.311 2.625 0 40 BFAB O=C(O)CCCCC(=O)c1cccc(F)c1F 2378715 WBRHZYWAENKQAE-UHFFFAOYSA-N 242.221 2.793 0 40 BFAB COc1ccc(SCCCCO)cc1 3163030 JCDLODPNZVUCLH-UHFFFAOYSA-N 212.314 2.560 0 40 BFAB C[C@H]1CSc2sc(=O)sc2S1 3174442 QVNLBDIQCOVMAW-VKHMYHEASA-N 222.381 2.756 0 40 BFAB COC(=O)n1c(C)c(C)c2ccccc21 3847654 GCHZFBXXOFMOHX-UHFFFAOYSA-N 203.241 2.873 0 40 BFAB biogenic C[C@@H]1CCCCN1[C@@H](C(=O)O)c1ccccc1 5487009 PIIALDQBBNGPDU-DGCLKSJQSA-N 233.311 2.687 0 40 BFAB Cc1cccc(N2C[C@@H]3C[C@@H]4C=C[C@@]3(C2)O4)c1 5553802 IQKPTTBYSJBWIR-QEJZJMRPSA-N 227.307 2.529 0 40 BFAB COc1ccccc1C[C@H](N)c1ccccc1 6485122 XNLHJPFLVKFDHX-AWEZNQCLSA-N 227.307 2.938 0 40 BFAB CC1CCN(c2nc(Cl)ncc2F)CC1 9234431 CRFXKROHROWMGN-UHFFFAOYSA-N 229.686 2.505 0 40 BFAB C[C@@H]1C[C@H]1c1ccc(/C=C2\SC(=O)NC2=O)o1 9869954 FSWLCORFLUTWKN-OHGZJSFGSA-N 249.291 2.727 0 40 BFAB CNC(=O)[C@@H](C)Sc1ccc(Cl)cc1 14166157 PQHUHKQMIADTTD-SSDOTTSWSA-N 229.732 2.567 0 40 BFAB CCCN[C@@H]1CCC[C@H]1Cc1cc(C)no1 19503750 VFCWMFGYRIAXIC-WCQYABFASA-N 222.332 2.694 0 40 BFAB BrC1=COc2ccccc2O1 21986342 XPQOPFJPEAHFMK-UHFFFAOYSA-N 213.030 2.652 0 40 BFAB CC(=O)Nc1sc(C)nc1-c1ccco1 27015864 ZCFUTRDYHSMBDQ-UHFFFAOYSA-N 222.269 2.670 0 40 BFAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCC(C)C 30858393 VGNABDVITLUEMZ-CQSZACIVSA-N 249.354 2.925 0 40 BFAB CCOC(=O)C1=NC(C)=C(C(C)(C)C)[C@@H]1C 31829366 AOYNSXFLMSAALP-QMMMGPOBSA-N 223.316 2.960 0 40 BFAB CCCCCc1cc(O)cc(O)c1C(=O)OC 34194051 RQGAOBDPFOADCM-UHFFFAOYSA-N 238.283 2.617 0 40 BFAB Clc1ccc(N2CCc3ccccc3C2)nn1 34938220 VPPJLEVGWGHQLA-UHFFFAOYSA-N 245.713 2.693 0 40 BFAB N[C@@H]1CSc2ccc(Br)cc21 35762859 BXDALXIFCWKWFR-SSDOTTSWSA-N 230.130 2.555 0 40 BFAB in-vitro CC(C)(O)Cc1cccc(Br)c1 37463551 OLYJGZCFJLMCKV-UHFFFAOYSA-N 229.117 2.763 0 40 BFAB in-vitro CCC(=O)NCCSCc1cccs1 40463041 SYIBOBNYFIPMTK-UHFFFAOYSA-N 229.370 2.508 0 40 BFAB C[C@H](C1CC1)N(C)Cc1nnc(-c2ccco2)o1 44907018 GDUVNPLVKHLVET-SECBINFHSA-N 247.298 2.560 0 40 BFAB CC(C)OCC(=O)NC1(c2ccccc2)CCC1 64308990 HVMXVYQVKBXKTL-UHFFFAOYSA-N 247.338 2.607 0 40 BFAB Cc1cc(=S)[nH]cc1[C@H]1CCCCN1C=O 72218353 JGHIHCDMDCMVTR-LLVKDONJSA-N 236.340 2.736 0 40 BFAB CCN1CCC[C@@H]1c1c(OC)cccc1OC 72221411 UARXGYOEDCVSRL-LLVKDONJSA-N 235.327 2.861 0 40 BFAB Cc1cc(CN)cnc1Oc1ccccc1 72222114 HEWGWZZBVMHFED-UHFFFAOYSA-N 214.268 2.641 0 40 BFAB CO[C@]1(C)C[C@H](NC2CCSCC2)C1(C)C 72926275 ZXNCXGJZFUZVMV-WCQYABFASA-N 243.416 2.675 0 40 BFAB c1cnc2ccc(OC[C@@H]3CCOC3)cc2c1 78990585 HWIXUGXUUCXERO-LLVKDONJSA-N 229.279 2.650 0 40 BFAB O=C(O)C1(c2cccc(Cl)c2F)CC1 84480761 UDYWAYMMMLXPCU-UHFFFAOYSA-N 214.623 2.595 0 40 BFAB COc1cc(C(=O)CCSC)ccc1F 88125236 HTHOCYKYHKPFNR-UHFFFAOYSA-N 228.288 2.770 0 40 BFAB CSc1cc(Cl)cc(C(=O)O)c1 90413367 NHMAJWOUAWHETL-UHFFFAOYSA-N 202.662 2.760 0 40 BFAB O[C@H](c1ccc(F)c(Cl)c1)c1ccccn1 95727352 DLEKNYCFGSVKME-GFCCVEGCSA-N 237.661 2.956 0 40 BFAB Brc1cncc2ncn(C3CC3)c12 96311234 OKBPVEPODBIVFK-UHFFFAOYSA-N 238.088 2.529 0 40 BFAB C[C@@H](O)[C@H](O)C(c1ccccc1)c1ccccc1 96319148 UBXVULCUJFPOFQ-WBMJQRKESA-N 242.318 2.560 0 40 BFAB CC(C)C(=O)NC[C@H](C)Sc1ccccc1 96431734 NIMOLJZGOIRRQR-NSHDSACASA-N 237.368 2.939 0 40 BFAB O=C(CCc1ccccc1)Nc1ccncc1F 96485247 SITLGMSFSMRFJZ-UHFFFAOYSA-N 244.269 2.792 0 40 BFAB C[C@H]1CC(C)(C)N(CC(=O)O)c2ccccc21 148077291 NQOGQDUCYDCNCD-JTQLQIEISA-N 233.311 2.863 0 40 BFAB Cc1cccc(N[C@H]2CCC[C@H]2N)c1C 218881048 ZGIGEZMFXQNZOB-YPMHNXCESA-N 204.317 2.595 0 40 BFAB Cc1cccc([C@@H](CN)N2CCC[C@@H](C)C2)c1 219809722 DZJHDJOAIHYPNT-UKRRQHHQSA-N 232.371 2.727 0 40 BFAB CNCCCNc1cc(C)nc2ccccc12 222684226 FDKOYZKCGGWOHE-UHFFFAOYSA-N 229.327 2.565 0 40 BFAB COCCN[C@H](C)c1ccccc1OC(C)C 225160640 BJNHXCMKWHDUJJ-GFCCVEGCSA-N 237.343 2.771 0 40 BFAB CC(C)Oc1cccc(NC(=O)C2CC2)c1 225383771 IEWGPCAOYUPMIU-UHFFFAOYSA-N 219.284 2.822 0 40 BFAB CCOC(=O)c1cc(Cl)nc(Cl)c1C 383894 MQWSYHGBLOKYSU-UHFFFAOYSA-N 234.082 2.874 0 40 BFAB CCOc1ccc(-c2cc(N)on2)cc1OCC 3704635 HQBBWDLMICKBSH-UHFFFAOYSA-N 248.282 2.721 0 40 BFAB CN(Cc1ccccc1)C[C@H]1[C@@H](O)[C@H]2CC[C@@H]1C2 4900824 PHMYEAYOKNYDGR-QXSJWSMHSA-N 245.366 2.525 0 40 BFAB O=C(O)C12CCC(Br)(CC1)CC2 5282751 YGDOVZNMGWJAGR-UHFFFAOYSA-N 233.105 2.559 0 40 BFAB Nc1nc2ccc(Cc3ccncc3)cc2s1 7814940 XIWAMBTXUMQNQI-UHFFFAOYSA-N 241.319 2.864 0 40 BFAB O=C(Cc1cccc(F)c1)Nc1ccccc1O 9502599 XPIPRWSXOYFIEC-UHFFFAOYSA-N 245.253 2.713 0 40 BFAB CC[C@H](C)C(=O)N[C@@H]1CCc2ccccc21 12983962 VZVVFOHUCRWRDO-GXFFZTMASA-N 217.312 2.836 0 40 BFAB C[C@H](N)Cc1c(Cl)cccc1Cl 19403433 FAYVXOYNOTWBLV-LURJTMIESA-N 204.100 2.883 0 40 BFAB in-vitro Cc1ccc(CN2CCN3CCC[C@@H]3[C@@H]2C)cc1 22078260 OKJOQUQEQQRRTE-GOEBONIOSA-N 244.382 2.664 0 40 BFAB C[C@H]1Cc2cccc(Br)c2C1=O 34752749 QHKFBWKOHWQEFW-LURJTMIESA-N 225.085 2.824 0 40 BFAB CCOc1cc(CNC)ccc1OC(C)C 34815738 FWVYZXDMWHNYLW-UHFFFAOYSA-N 223.316 2.592 0 40 BFAB CC(C)n1c(CCN)nc2cc(Cl)ccc21 37440627 MCELSPOCURTMGW-UHFFFAOYSA-N 237.734 2.772 0 40 BFAB CN(Cc1cccc(F)c1)C(=O)CC(F)(F)F 40496636 DYNWKQGPHRTYBG-UHFFFAOYSA-N 249.207 2.737 0 40 BFAB O=C(CSC1CCCC1)N1CCCCC1 41365260 MEMODPKBKHPBKE-UHFFFAOYSA-N 227.373 2.675 0 40 BFAB CCCCCC[C@H](C)N[C@H]1CCN(C)C1 42545288 CDJICRAKDPTLLQ-STQMWFEESA-N 212.381 2.639 0 40 BFAB Cc1cc(C(=O)c2cccc(F)c2)ccn1 45038455 SCJLEGFVIRTXOZ-UHFFFAOYSA-N 215.227 2.760 0 40 BFAB COc1ccc(Nc2nccc(Cl)n2)cc1 57331145 YDFBKPJLRPDIIW-UHFFFAOYSA-N 235.674 2.882 0 40 BFAB Cc1cc(Cl)ncc1[C@@H]1CCCCN1 72217852 XZUFXNBGYBPEGF-JTQLQIEISA-N 210.708 2.858 0 40 BFAB CCN1CCCC[C@@H]1c1cnc(O)cc1C 72218156 QADNEDNABLCVLB-GFCCVEGCSA-N 220.316 2.643 0 40 BFAB Cc1cc([C@@H]2CCCN2C(C)C)ccn1 72219457 MELCVUPJAPAFRV-ZDUSSCGKSA-N 204.317 2.935 0 40 BFAB O=C(C1CC=CC1)N1CC[C@@H]2CCCC[C@@H]21 76985119 QCBVNZPXMGZBJL-AAEUAGOBSA-N 219.328 2.744 0 40 BFAB CC(=O)C1(C(=O)c2ccc(Cl)cc2)CC1 77334746 QGKNAGUFARGFKY-UHFFFAOYSA-N 222.671 2.892 0 40 BFAB CCC[C@H](C)Sc1ncnc2nc[nH]c12 79001426 UIEUTOXWKHJJCB-ZETCQYMHSA-N 222.317 2.634 0 40 BFAB Fc1nc(F)c(F)c(Oc2cccnc2)c1F 79046753 WBBZYXGRSPLUSG-UHFFFAOYSA-N 244.147 2.825 0 40 BFAB Cc1cccc(NCc2cccc(O)c2)n1 83347848 OTWHDCOWMKVSDX-UHFFFAOYSA-N 214.268 2.708 0 40 BFAB Cc1occc1CNc1cnn(C(C)C)c1 85396048 LKQJZBYYFSEKKX-UHFFFAOYSA-N 219.288 2.978 0 40 BFAB CC[C@@H](N)COCc1ccc(C)c(C)c1 89262650 QZTHWCITLAXGAK-CYBMUJFWSA-N 207.317 2.557 0 40 BFAB O=C(C1CCCC1)N1CC[C@@H]2CCCC[C@@H]21 89818675 XQYAVRQKNONDLS-AAEUAGOBSA-N 221.344 2.968 0 40 BFAB COc1cc2c(cc1Br)CCCN2 91294486 DGZXGWDPVYVZNP-UHFFFAOYSA-N 242.116 2.816 0 40 BFAB CC(=O)NCCCOc1c(C)cccc1Cl 95990736 XSYOZZCHKCQTAO-UHFFFAOYSA-N 241.718 2.553 0 40 BFAB CC(C)(C)c1cc2c(Cl)nccn2n1 96516362 UJWAZKGBPRUMEJ-UHFFFAOYSA-N 209.680 2.680 0 40 BFAB CC[C@H](C)Nc1cccc([S@](C)=O)c1 97232077 QKMSWBPTRZAAAC-LKFCYVNXSA-N 211.330 2.634 0 40 BFAB O=C(O)[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1c1ccccc1 110748990 XFIGCNCLVXGNDI-DDHJBXDOSA-N 202.253 2.511 0 40 BFAB Cc1cc(C(=O)OC(C)C)cnc1Cl 115441729 RLSTWMKSXAQQGU-UHFFFAOYSA-N 213.664 2.609 0 40 BFAB CCCc1nc2c(s1)[C@@H](CC)NCC2 218332214 LUIKPAYRWKBVSR-MRVPVSSYSA-N 210.346 2.692 0 40 BFAB CCC[C@@H](C)NC(=S)Nc1cccc(C)n1 225384397 SWVVYNONWJNSFH-SECBINFHSA-N 237.372 2.865 0 40 BFAB CCc1nn(C)cc1CN(C)C(C)(C)CC 225548202 CVJCPKSUAFFJFN-UHFFFAOYSA-N 223.364 2.603 0 40 BFAB Nc1ccnc2c(Br)csc12 238660278 UUIPOGIKTMGHIU-UHFFFAOYSA-N 229.102 2.641 0 40 BFAB c1cc2c(c(OCc3nccs3)c1)OCC2 335298645 IHKJNLXYDHPTSS-UHFFFAOYSA-N 233.292 2.657 0 40 BFAB COc1c(C(=O)O)ccc(C(F)(F)F)c1F 604221522 HVWIVXILBQRTRT-UHFFFAOYSA-N 238.136 2.551 0 40 BFAB Cc1cc(Cl)cc2c1NC(=O)CS2 225626 CKRMHETZULBGOC-UHFFFAOYSA-N 213.689 2.693 0 40 BFAB CNc1nnc(-c2ccccc2Cl)s1 546209 HTPVLPHKYAUTCV-UHFFFAOYSA-N 225.704 2.900 0 40 BFAB CC(C)(CC(=O)c1ccc(F)c(F)c1)C(=O)O 2378756 GKIZHWDWGZZCIU-UHFFFAOYSA-N 242.221 2.648 0 40 BFAB FC(F)(F)c1cccc([C@@H]2CCNC2)c1 2509811 DUYDZGBSZJZIOZ-SECBINFHSA-N 215.218 2.782 0 40 BFAB in-vitro CC(=O)Nc1ncc(-c2cccc(Cl)c2)n1C 4678205 ZMFBJMQRVSNEKD-UHFFFAOYSA-N 249.701 2.699 0 40 BFAB CCCNC(=O)NC1C2CC3CC(C2)CC1C3 5671763 HSUOIXNNQDJNBE-UHFFFAOYSA-N 236.359 2.520 0 40 BFAB Cc1cc(N)nc(SCc2cccc(F)c2)n1 7048778 HIQAYIBXDZFUOW-UHFFFAOYSA-N 249.314 2.799 0 40 BFAB CCC1=NO[C@H](C)[C@@H]1C(=O)OCc1ccccc1 8652502 UVJRUSOTHJUKSM-MFKMUULPSA-N 247.294 2.531 0 40 BFAB O=C(NCc1ccccc1)c1cc(F)ccc1F 13010560 PNWGDMWXUZDXMW-UHFFFAOYSA-N 247.244 2.895 0 40 BFAB C[C@]1(O)c2ccccc2-c2ccccc2[C@@]1(C)O 13658815 PVSIBGSXKKPZNX-IYBDPMFKSA-N 240.302 2.782 0 40 BFAB CC(C)NC(=S)Nc1ccc(F)cc1F 13787442 JZWZAKFVGGJZKN-UHFFFAOYSA-N 230.283 2.660 0 40 BFAB Nc1ccnn1Cc1cccc2ccccc12 19689491 XDFCSRDDAZVANV-UHFFFAOYSA-N 223.279 2.667 0 40 BFAB in-vitro C[C@H](N)c1nc(-c2c(F)cccc2Cl)no1 19785467 HCPRVGSZUGPTNY-YFKPBYRVSA-N 241.653 2.549 0 40 BFAB CC(C)[C@H](NCc1ccc(Cl)cc1)C(=O)O 19787758 UWDPUPXJVAYDBR-NSHDSACASA-N 241.718 2.539 0 40 BFAB in-vitro CCC(C)(C)C(=O)Nc1nc(C)cs1 19897674 VUKOJFWYKGMOAA-UHFFFAOYSA-N 212.318 2.826 0 40 BFAB O=C(O)CCc1c[nH]c2cccc(Cl)c12 20269215 PAXWJSPBZACTSD-UHFFFAOYSA-N 223.659 2.839 0 40 BFAB O=C(C1CCCC1)N1CCC[C@@H]1c1ccncc1 32907474 FOOCVYOSNXDENF-CQSZACIVSA-N 244.338 2.935 0 40 BFAB O[C@@H]1CCCC[C@H]1Nc1cccc(F)c1F 40230485 ZUGHOLBBPUTODQ-MWLCHTKSSA-N 227.254 2.680 0 40 BFAB C[C@H]1CCCN(C(=O)c2ccc(Cl)o2)C1 40462549 QAMZSXCFQIERHM-QMMMGPOBSA-N 227.691 2.805 0 40 BFAB CSc1ccccc1NC(=O)NCC1CC1 40526177 ZDAFFUJZXPCZMF-UHFFFAOYSA-N 236.340 2.940 0 40 BFAB Cc1c(F)cccc1NCc1ncccn1 54459626 WJULIZNGKVHHMZ-UHFFFAOYSA-N 217.247 2.536 0 40 BFAB CCCCCOC(=O)c1cn2ccccc2n1 60688844 YTCWDZDDPRMURQ-UHFFFAOYSA-N 232.283 2.681 0 40 BFAB CC[C@@H](C)Nc1ncccc1C1=NCCC1 72213355 ZUBOJDBEZGADHZ-SNVBAGLBSA-N 217.316 2.875 0 40 BFAB CCCN(CCC)c1cc(C)c(CCO)cn1 72223302 IXQLIWGYDLZDCZ-UHFFFAOYSA-N 236.359 2.551 0 40 BFAB C[C@@H](c1ccccc1F)N(C)Cc1cnn(C)c1 75572661 BVWKGEBPHDILRJ-NSHDSACASA-N 247.317 2.752 0 40 BFAB Cc1nn(Cc2ccccc2)c2c1[C@@H](N)CCC2 82237874 UXSAECXCFPDYTR-ZDUSSCGKSA-N 241.338 2.576 0 40 BFAB COCc1cc(OC)ccc1Br 83709983 KFWYLHYVLKUTFY-UHFFFAOYSA-N 231.089 2.604 0 40 BFAB CCOC(=O)/C=C/c1cc(CC)c(N)c(CC)c1 90461511 BYEZHOYFNCKPCQ-BQYQJAHWSA-N 247.338 2.970 0 40 BFAB in-vitro CC(C)COc1ccc([C@H](C)O)cc1F 95739653 OVUZQCXCWKWWMO-VIFPVBQESA-N 212.264 2.914 0 40 BFAB CN(CCC(F)(F)F)C(=O)C[C@H]1C=CCC1 97680620 RAGMOFVYOSXZFT-VIFPVBQESA-N 235.249 2.754 0 40 BFAB Nc1nc(C(F)(F)F)c(Cl)cc1Cl 98175517 UQPRJPORSFKIDO-UHFFFAOYSA-N 231.004 2.989 0 40 BFAB Cl[C@@]12C[C@H]3[C@@H]4C[C@@H]5[C@@H]([C@H]41)[C@](Cl)(C[C@@H]53)O2 100246462 XACQLMSONRGALD-UXYAOHHQSA-N 231.122 2.809 0 40 BFAB FC(F)(F)C1(C2CCNCC2)CCC1 107442597 GQNJEHCNAFXLML-UHFFFAOYSA-N 207.239 2.719 0 40 BFAB C[C@H](CCO)N[C@@H]1C[C@@H](c2ccccc2)C1(C)C 123479692 FAYOMRJZIWWWRD-VHDGCEQUSA-N 247.382 2.929 0 40 BFAB Cc1occc1[S@@](=O)Cc1ccccc1 189657317 NUJQLQKXWXWBHM-HNNXBMFYSA-N 220.293 2.896 0 40 BFAB CC(C)c1ccnn1-c1ccc(C(=O)O)cc1 216672315 JVWQONSDKFVLHN-UHFFFAOYSA-N 230.267 2.694 0 40 BFAB NC1(c2cccc(Cl)c2Cl)CC1 221509520 OYKYIBBPFVTABS-UHFFFAOYSA-N 202.084 2.941 0 40 BFAB CCCOc1cccc([C@@H](C)NCCOC)c1 225166058 OTGHLFFXEAHSBJ-GFCCVEGCSA-N 237.343 2.772 0 40 BFAB CC(=O)Nc1ccc(N2CCCC[C@@H]2C)c(N)c1 226262760 RMDQTNHVICQWRE-JTQLQIEISA-N 247.342 2.606 0 40 BFAB Nc1cccc2ccc(N3CCCCC3)nc12 258263028 OQIJJMDCDHHXGC-UHFFFAOYSA-N 227.311 2.807 0 40 BFAB CC[C@H](C)C(=O)N[C@H]1CCCC(F)(F)C1 335336425 JDQTUJAOSGIAIM-IUCAKERBSA-N 219.275 2.727 0 40 BFAB COc1cccc2[nH]c(C)c(C(C)C)c(=O)c12 685938519 MOSBNPFDLBHORI-UHFFFAOYSA-N 231.295 2.969 0 40 BFAB Oc1cccc2c1CC[C@@H](C(F)(F)F)O2 1903362745 BEUOEFPJVSPNQG-VIFPVBQESA-N 218.174 2.648 0 40 BFAB O=C(O)Cc1ccc2c3c(cccc13)CC2 276106 SDZPEUVJBKVXJD-UHFFFAOYSA-N 212.248 2.566 0 40 BFAB CC1(C)CC2=NN[C@@H](c3ccccc3)[C@H]2CO1 366196 UONGMZHJAAXUGM-AAEUAGOBSA-N 230.311 2.502 0 40 BFAB CC(C)(C)N1C(=O)CC(=O)C[C@H]1c1ccccc1 1402367 VLLWCNTUXHROIS-ZDUSSCGKSA-N 245.322 2.718 0 40 BFAB Cc1ccc(C(=O)CCCC(=O)O)cc1C 1594139 PYNCEAUAQBMUKU-UHFFFAOYSA-N 220.268 2.741 0 40 BFAB c1ccc(PCCPc2ccccc2)cc1 2242706 VBXSERPGINMTDE-UHFFFAOYSA-N 246.230 2.994 0 40 BFAB CC(C)(C)N1CC(OC(=O)Nc2ccccc2)C1 3185185 MYGPWWONICEFEK-UHFFFAOYSA-N 248.326 2.718 0 40 BFAB CCc1ccc(-c2csc(NN)n2)cc1 4294007 JWJZZWKKBDSYEB-UHFFFAOYSA-N 219.313 2.658 0 40 BFAB Cc1ccc([C@H](O)[C@@H](N)c2ccccc2)cc1 5546219 CPTGAOPLCQIBTJ-GJZGRUSLSA-N 227.307 2.728 0 40 BFAB C[C@H]1CCCCN1Cc1nc2ccccc2[nH]1 7343736 PLENUUOJKIMLEM-NSHDSACASA-N 229.327 2.937 0 40 BFAB O=C(c1ccncc1)N1CC[C@H]2CCCC[C@H]2C1 8428389 OIVIFBSWWZLRPS-OCCSQVGLSA-N 244.338 2.734 0 40 BFAB CCc1c(C)nn(-c2nc3ccccc3o2)c1O 14607864 REBMTXSIXMWHRO-UHFFFAOYSA-N 243.266 2.590 0 40 BFAB NCc1ccc(-c2nc3ccccc3[nH]2)cc1 19387814 CYUNYLCJTMEPPR-UHFFFAOYSA-N 223.279 2.689 0 40 BFAB in-vitro Cc1ccc2[nH]c(C(=O)O)c(Cl)c2c1 19770075 AVCWHEXQDFHGOB-UHFFFAOYSA-N 209.632 2.828 0 40 BFAB in-vitro COC(=O)c1ccccc1Cn1c(C)ccc1C 20447555 GIVAHXAQLDLJPY-UHFFFAOYSA-N 243.306 2.940 0 40 BFAB OC1=Nc2n[nH]cc2[C@H](c2ccsc2)C1 20720247 PAAWFJLZGAZDKF-ZETCQYMHSA-N 219.269 2.595 0 40 BFAB C[C@H](CC(=O)O)Cc1ccc(Cl)cc1 22023131 DYBYNFXXAQJRBN-QMMMGPOBSA-N 212.676 2.993 0 40 BFAB O=C(O)[C@H]1C[C@@H]1c1c(F)cccc1Cl 32012990 NVHNBFOVILMVRL-WDSKDSINSA-N 214.623 2.667 0 40 BFAB COc1ccc(Cl)cc1Cn1ccccc1=O 32888177 ZAWUGYYOJCIPLT-UHFFFAOYSA-N 249.697 2.559 0 40 BFAB COc1ccc(C(=O)c2ccc(C)cc2)cc1N 33469214 QEIWOQWRWCCUHK-UHFFFAOYSA-N 241.290 2.817 0 40 BFAB COC(=O)[C@H](C)c1ccc(Br)cc1 34606935 KZWKRXZFJWFHSR-SSDOTTSWSA-N 243.100 2.726 0 40 BFAB CCOCCN[C@@H](C)c1ccccc1C 35151225 MGCZPGAJFUMHRE-LBPRGKRZSA-N 207.317 2.682 0 40 BFAB COc1cccc(C(=O)COc2ccccc2)c1 35183892 TXFUJLJFRCGHDC-UHFFFAOYSA-N 242.274 2.957 0 40 BFAB Cn1c(-c2cccc(O)c2)nc2ccccc21 36896069 ZOCKAMAEAGBODC-UHFFFAOYSA-N 224.263 2.946 0 40 BFAB in-vitro O=C(c1ccc(O)cc1)c1cccs1 39373705 BVLDPAXUXIUXKB-UHFFFAOYSA-N 204.250 2.685 0 40 BFAB O[C@H](c1ccc(F)c(F)c1)C(F)(F)F 42268418 JORHCERXDHSICF-SSDOTTSWSA-N 212.117 2.561 0 40 BFAB Cc1cccc(C(=O)N[C@H](C)Cc2ccco2)c1 42381761 LLIVQYRDSZRCGS-GFCCVEGCSA-N 243.306 2.949 0 40 BFAB Cc1cccc([C@@H](O)C(F)(F)F)c1C 43368017 WDPGLVQJRLKLEE-SECBINFHSA-N 204.191 2.899 0 40 BFAB CCCS(=O)(=O)Nc1cc(Cl)ccc1C 45929334 QVRKUIXNDXYQCY-UHFFFAOYSA-N 247.747 2.800 0 40 BFAB CCN(CC)c1ccc([C@@H]2C[C@@H]2[C@@H](C)N)cc1 62713802 PSLMPRXZPHIWIW-DFBGVHRSSA-N 232.371 2.984 0 40 BFAB COc1ccc(-c2ccc(C=O)c(O)c2)cc1 65341807 SGXOELUJXLGAAH-UHFFFAOYSA-N 228.247 2.880 0 40 BFAB CONC(=O)/C=C/c1cccc2ccccc12 69386500 HPHNJJGDPSZGNM-MDZDMXLPSA-N 227.263 2.531 0 40 BFAB O=C(Nc1ccsc1)c1ccc2[nH]cnc2c1 71921829 VNVARKFPSNPAPP-UHFFFAOYSA-N 243.291 2.877 0 40 BFAB COc1ccc([C@@H]2CCCN2CC(C)C)cn1 72211669 WVUHJHBZFIDQHW-ZDUSSCGKSA-N 234.343 2.883 0 40 BFAB Cc1cc(C(=O)O)cnc1NCc1ccccc1 72222324 AOZWGESKQVUJBX-UHFFFAOYSA-N 242.278 2.700 0 40 BFAB CC[C@@H](O)c1ccc(NC(C)(C)C)nc1 72225832 RHLUEXBQADLMTD-SNVBAGLBSA-N 208.305 2.735 0 40 BFAB CCCOc1ccc2ncc(N)cc2c1 72226632 JBTWCOMPRIGAHJ-UHFFFAOYSA-N 202.257 2.606 0 40 BFAB Cc1cccc([C@@H]2CCCN2C(=O)C(C)C)n1 72361252 ZBEPRVVUGPMQID-ZDUSSCGKSA-N 232.327 2.710 0 40 BFAB CCN(CC)C(=O)c1ccc(OC)c(Cl)c1 74946865 URGTXSIGGVGCKC-UHFFFAOYSA-N 241.718 2.831 0 40 BFAB Cc1ccc([C@@H](CN)N2CCCCC2)cc1C 95532269 UQRQNEQUMXFKIZ-OAHLLOKOSA-N 232.371 2.789 0 40 BFAB CC(=O)OCCc1ccc(Cl)c(C)c1 95730029 BEEUOBZFMHFZLS-UHFFFAOYSA-N 212.676 2.754 0 40 BFAB Nc1ccc(Br)c(C(F)F)c1 107267771 DXRXPKPXEUVPAO-UHFFFAOYSA-N 222.032 2.969 0 40 BFAB COc1ccc(/C(Cl)=N\O)cc1Cl 144866347 RJPJJPLJYYATMU-DHZHZOJOSA-N 220.055 2.723 0 40 BFAB COCCNCc1cccn1-c1cccc(C)c1 223679953 MODRQDYYFKWIOM-UHFFFAOYSA-N 244.338 2.522 0 40 BFAB c1cc(OC[C@H]2CCCN(CC3CC3)C2)ccn1 1776000522 NGBYIENBDOUHEJ-AWEZNQCLSA-N 246.354 2.582 0 40 BFAB Cc1ccnc(Oc2cccnc2C)c1 1888864119 RFSRKULPMSHMDC-UHFFFAOYSA-N 200.241 2.886 0 40 BFAB COc1ccc2sc(NC(=O)C3CC3)nc2c1 417989 RHFAVSNGVSTJGH-UHFFFAOYSA-N 248.307 2.653 0 40 BFAB O=C(NC1C2CC3CC(C2)CC1C3)c1ccco1 568968 JPEMSSFGEBKPPC-UHFFFAOYSA-N 245.322 2.834 0 40 BFAB Cc1cccc(C)c1NC(=O)c1cncc(O)c1 807912 JRXNBSBAQZAXDN-UHFFFAOYSA-N 242.278 2.656 0 40 BFAB COC(=O)[C@H](C)Oc1cccc2ccccc12 1460001 QHQUWEFJPVQGQP-JTQLQIEISA-N 230.263 2.780 0 40 BFAB CCOc1ccc2c(c1)c(CC(=O)O)c(C)n2C 1705023 XTIIFFOFLAJRJC-UHFFFAOYSA-N 247.294 2.513 0 40 BFAB CN(C)c1ccccc1[C@@H]1CCCC[C@@H]1O 1715794 KGLBGZFYIVMFEG-JSGCOSHPSA-N 219.328 2.771 0 40 BFAB CC(=O)Cc1cccc(OC(F)(F)F)c1 2244051 GQNTVCOMVPOVQE-UHFFFAOYSA-N 218.174 2.717 0 40 BFAB CC[C@@H](CC[C@H](C)O)C[C@@H]1CCCO1 4087622 WRDHXNUNGYABFV-SRVKXCTJSA-N 200.322 2.743 0 40 BFAB Cc1ccc(-c2noc(CCCCCN)n2)cc1 4206453 VDIWNKCHXGYWFK-UHFFFAOYSA-N 245.326 2.717 0 40 BFAB in-vitro Cc1cnc(C(=O)Nc2cccc(C)c2C)cn1 8747728 LPLLCUWFGYWQFQ-UHFFFAOYSA-N 241.294 2.654 0 40 BFAB Cc1n[nH]c(SCCOc2ccccc2C)n1 11658750 QQDGEJRSYQRGSA-UHFFFAOYSA-N 249.339 2.593 0 40 BFAB Cc1cc(C)c2c(c1)[C@@H](N)CC(C)(C)O2 11848955 STEQSLQHZSDMOO-NSHDSACASA-N 205.301 2.864 0 40 BFAB c1cc(CNCc2ccncc2)c2cc[nH]c2c1 15423543 UWBRYFYJCBXQJT-UHFFFAOYSA-N 237.306 2.853 0 40 BFAB N=C(N)c1ccc(N2CCc3ccccc32)cc1 19865883 QIYSSKVYKSTOKX-UHFFFAOYSA-N 237.306 2.665 0 40 BFAB in-vitro Cc1occc1C(=O)Nc1nnc(C2CC2)s1 22738552 CEODBOAIMRPOHY-UHFFFAOYSA-N 249.295 2.569 0 40 BFAB COc1ccc(-c2ncc(C(=O)O)s2)cc1 22864737 UZXSKGJRGZRUNL-UHFFFAOYSA-N 235.264 2.517 0 40 BFAB CN(C(=O)C1CC1)[C@@H]1CCc2ccccc21 32905276 GCZXKXJDMTZRSR-CYBMUJFWSA-N 215.296 2.542 0 40 BFAB C=CC(=O)Nc1cccc(C(F)(F)F)c1 36334193 AVBCENRBHWYZKE-UHFFFAOYSA-N 215.174 2.830 0 40 BFAB C=CC(=O)N[C@@H](C)c1ccccc1Cl 36334460 AVNDNGZLLDIAQP-QMMMGPOBSA-N 209.676 2.703 0 40 BFAB c1ccc(-c2c[nH]c([C@H]3CCCCN3)n2)cc1 36876672 AYVDXRKUCLVKBE-GFCCVEGCSA-N 227.311 2.891 0 40 BFAB O=c1sc2ccccc2n1Cc1ccccn1 39281703 DZANWURCSVYZTE-UHFFFAOYSA-N 242.303 2.506 0 40 BFAB CCc1ccccc1N(C(=O)OC)C(=O)OC 39953715 IJOYUBPKPCAWDR-UHFFFAOYSA-N 237.255 2.588 0 40 BFAB Cc1ccc([C@H](O)c2ccc3c(c2)OCO3)s1 40242260 SMENCYJFBWDOPB-CYBMUJFWSA-N 248.303 2.867 0 40 BFAB CCn1c(CO)nc2cc(C(F)(F)F)ccc21 40417135 UVQHJQBAZAPZLT-UHFFFAOYSA-N 244.216 2.567 0 40 BFAB Cc1cc(C)cc(Cn2ccccc2=O)c1 40486004 XREHFKKSWVXJMI-UHFFFAOYSA-N 213.280 2.513 0 40 BFAB OCc1c(C(F)(F)F)cnc(Cl)c1Cl 40566582 KPKSXPWHKRAFSF-UHFFFAOYSA-N 246.015 2.900 0 40 BFAB CSCC(=O)Nc1ccccc1Cl 41779852 PZCNXVIOBYXLCQ-UHFFFAOYSA-N 215.705 2.642 0 40 BFAB c1ccc2[nH]c(SC[C@H]3CCCNC3)nc2c1 43471676 RIEIRLFFYNPXTN-JTQLQIEISA-N 247.367 2.655 0 40 BFAB CCOC(=O)[C@H](C)Sc1ccc(F)cc1 43638299 FNBPXICHXFBRPT-QMMMGPOBSA-N 228.288 2.869 0 40 BFAB c1ccc(-c2nccc([C@@H]3CCCN3)n2)cc1 43673846 RQUFEMVRJWVYHC-LBPRGKRZSA-N 225.295 2.568 0 40 BFAB Cc1cccnc1C(=O)c1ccc(F)cc1F 45028689 PLHPJCXTIPHCRB-UHFFFAOYSA-N 233.217 2.899 0 40 BFAB COc1ccccc1C(=O)c1ccc(Cl)nc1 45038675 NFXOBOKMBFXPKZ-UHFFFAOYSA-N 247.681 2.975 0 40 BFAB O=Cc1cc(-c2ccc(F)cc2)ccn1 47204927 RLCHPPIGKLSXOD-UHFFFAOYSA-N 201.200 2.700 0 40 BFAB CON(C)C(=O)c1cc(Cl)ccc1Cl 47219243 HWDSOSCOHAVNTF-UHFFFAOYSA-N 234.082 2.627 0 40 BFAB Cn1ncc2c1N=C(O)C[C@H]2c1ccccc1 49549886 BCZSIZAIFJJXCU-JTQLQIEISA-N 227.267 2.544 0 40 BFAB CCn1cc(C(=O)NC(C)C)c2ccccc21 65415735 YFEGYONTZDOPJC-UHFFFAOYSA-N 230.311 2.799 0 40 BFAB O[C@@H](c1cccc(Br)c1)C1CC1 70735862 MPLYZWJENOITMP-SNVBAGLBSA-N 227.101 2.893 0 40 BFAB C[C@H](Cc1ccc(Cl)cc1Cl)C(N)=O 71884529 QKEXITWQNOWKDN-ZCFIWIBFSA-N 232.110 2.657 0 40 BFAB Cc1cc(C=O)cnc1N1CCCCCC1 72222473 LGXOVKZYCBEWBA-UHFFFAOYSA-N 218.300 2.583 0 40 BFAB C[C@H](O)Cc1cc(F)cc(Br)c1 72305101 YQUVXYWQOWWRGT-LURJTMIESA-N 233.080 2.512 0 40 BFAB in-vitro CC(C)(C)CCN[C@@H]1CCCSC1 75126743 JRLSGBQZTQWXMB-SNVBAGLBSA-N 201.379 2.908 0 40 BFAB CS[C@H]1CCC[C@@H]1N(C)Cc1ccncc1 76147719 YXXAIBOGHXAHKN-STQMWFEESA-N 236.384 2.798 0 40 BFAB O=S(=O)(CC1CCCC1)c1ccc(F)cc1 82818150 OPINKXVVBPGZMK-UHFFFAOYSA-N 242.315 2.790 0 40 BFAB Cc1nc(C)c(CN[C@H]2CCCSC2)s1 84062476 RFFYLRMHKIBMBM-JTQLQIEISA-N 242.413 2.745 0 40 BFAB CC(C)Oc1c(F)ccc(C=O)c1F 90413653 XQXSECTVYDOZNJ-UHFFFAOYSA-N 200.184 2.565 0 40 BFAB Sc1ccccc1COC[C@H]1CCCO1 95738795 RLVDLPOZQVXEGG-LLVKDONJSA-N 224.325 2.671 0 40 BFAB C[C@@H](O)C1(c2cc(F)cc(Cl)c2)CC1 95739159 BWJXDILWMWJHBR-SSDOTTSWSA-N 214.667 2.892 0 40 BFAB O=Cc1c[nH]c2c(Br)cc(F)cc12 96321130 ZSQGHQWPOHETSW-UHFFFAOYSA-N 242.047 2.882 0 40 BFAB in-vitro CCOc1cccc([C@H](C)NC[C@@H]2CCCO2)c1 153097201 AUPIDJVKGWCGIF-WFASDCNBSA-N 249.354 2.915 0 40 BFAB O=C(c1cccc(F)c1F)C(F)(F)Cl 158677130 QXZFDVFCGFHDQC-UHFFFAOYSA-N 226.556 2.979 0 40 BFAB CC[C@@H](NN)c1ccc(F)cc1C(F)(F)F 199537086 RVHZUWXFUCTFTH-SECBINFHSA-N 236.212 2.759 0 40 BFAB Nc1cc(/C=C/C(=O)O)cc(Cl)c1Cl 216929335 PZCDYCSSAXCLPO-OWOJBTEDSA-N 232.066 2.673 0 40 BFAB C[Si](C)(C)c1ccc(C(=O)O)c(Cl)c1F 219790408 QFGDLMWDHDUHMB-UHFFFAOYSA-N 246.741 2.723 0 40 BFAB NNc1ccc(OC(F)(F)C(F)(F)F)cc1 225767265 OVMTUVGDPJGOLB-UHFFFAOYSA-N 242.147 2.506 0 40 BFAB CCC(=O)[C@H]1C(=O)[C@@]2(C)CC[C@H]1C2(C)C 253495317 DQYYHKHSFKGKOZ-DFAYQTQMSA-N 208.301 2.607 0 40 BFAB CCCn1cc(CNc2ccnn2C(C)C)cn1 256049904 BXWJQUIEHMKJOU-UHFFFAOYSA-N 247.346 2.683 0 40 BFAB CC[C@@H](Cl)C(=O)c1cccc(F)c1C#N 389412132 QIULLOAXBYRANE-SECBINFHSA-N 225.650 2.897 0 40 BFAB Cc1nsc(OCc2ccccc2C)n1 585652765 VVXMHLXNSRNHIQ-UHFFFAOYSA-N 220.297 2.734 0 40 BFAB CC(C)Oc1nc2c(F)cccc2cc1C(=O)O 685937715 XPNLMMUHMCNQIQ-UHFFFAOYSA-N 249.241 2.859 0 40 BFAB COc1ccc(/C=C/C(=O)NC(C)(C)C)cc1 28315 WHXVHDCAWJBNOC-JXMROGBWSA-N 233.311 2.623 0 40 BFAB CCOC(=O)c1cc(C)nc2ccccc12 781951 QLDHESIQYKWVIL-UHFFFAOYSA-N 215.252 2.720 0 40 BFAB S=C(NC1CC1)N[C@@H]1CCCc2ccccc21 2643132 AESGCLUMDXCWSQ-CYBMUJFWSA-N 246.379 2.691 0 40 BFAB CCOCCCNCc1ccccc1Cl 2923948 UJITZJFNMUJHBH-UHFFFAOYSA-N 227.735 2.856 0 40 BFAB Cc1ccc(O)c([C@@H](O)Cc2ccccc2)c1 3846807 XVHVFGAHLNQIBO-HNNXBMFYSA-N 228.291 2.977 0 40 BFAB biogenic CCN(CC)[C@H]1[C@H]2CC[C@@](C)([C@@H]1O)C2(C)C 4722962 JBGSUUCUNUGRIZ-CZXHOFHRSA-N 225.376 2.514 0 40 BFAB Cc1ccc(NC(=O)C[C@H](C)N2CCCC2)cc1 5738833 VJAVIGCLFFDMRS-ZDUSSCGKSA-N 246.354 2.808 0 40 BFAB COC(=O)[C@H](C/C=C(\C)c1ccccc1)C(C)=O 5810056 MNJUDMANVVMTDA-CFRMROPGSA-N 246.306 2.858 0 40 BFAB O=C1OCCCCCCOC(=O)c2ccccc21 6117110 DGMTZMCDDBNVPU-UHFFFAOYSA-N 248.278 2.574 0 40 BFAB O=C(Nc1ccc(F)cc1)[C@@H]1CC1(Cl)Cl 6340587 YODOOKWMHGXGAC-QMMMGPOBSA-N 248.084 2.958 0 40 BFAB Cc1cc(C(=O)N2CCCCCC2)c(C)n1C 8052082 LLUBYJRUKXUWQF-UHFFFAOYSA-N 234.343 2.658 0 40 BFAB Cc1ccc([C@@H]2CC(=O)c3cn[nH]c3C2)cc1 8738503 YPSMBCQMEWWUON-NSHDSACASA-N 226.279 2.631 0 40 BFAB Oc1c[nH]c2ccc(Br)cc12 13379622 LBXRGISCDMNDSD-UHFFFAOYSA-N 212.046 2.636 0 40 BFAB in-vitro CCN(CC)CCN[C@H](C)CCc1ccccc1 19919288 MWDRWMNXZAVEPD-OAHLLOKOSA-N 248.414 2.939 0 40 BFAB Nc1cccc(NC(=O)c2cccc(F)c2)c1 20343195 ZXXGKKSRMHFCGZ-UHFFFAOYSA-N 230.242 2.660 0 40 BFAB C[C@@H](NC1CC1)c1ccc2c(c1)OCCCO2 21954977 JMPGCBMWWPRJQS-SNVBAGLBSA-N 233.311 2.661 0 40 BFAB in-vitro C[C@H]1C[C@@H]1C(=O)NC1(c2ccccc2)CCC1 32841207 NWKRUTIFHKDZNJ-AAEUAGOBSA-N 229.323 2.838 0 40 BFAB Cc1ccc(CNC(=O)NCC(C)C)cc1F 32862716 LHLGQDCZKBVHIZ-UHFFFAOYSA-N 238.306 2.589 0 40 BFAB CCc1nc(NC(=O)c2ccco2)sc1C 40118955 VCRGBFIDMZEAGZ-UHFFFAOYSA-N 236.296 2.859 0 40 BFAB CCOC(CC(C)C)(OCC)OCC 44589431 GZUFHOUFXUXVHA-UHFFFAOYSA-N 204.310 2.796 0 40 BFAB NC(=O)[C@@]1(c2ccccc2)C[C@@H]1c1ccccc1 51330288 BUIVWFXITQHJJQ-GDBMZVCRSA-N 237.302 2.597 0 40 BFAB Cc1ccc([C@H](O)c2ccccn2)cc1C 53303714 IARDBEIAEZWSDG-AWEZNQCLSA-N 213.280 2.780 0 40 BFAB Cc1ccccc1CS[C@@H](C)C(=O)NC1CC1 66319142 QOJGTQQYIWXLSA-NSHDSACASA-N 249.379 2.895 0 40 BFAB C[C@@H](Cc1c[nH]c2ccccc12)NC1CC1 72210201 VHFDKUONKPNASA-JTQLQIEISA-N 214.312 2.851 0 40 BFAB CN1CC=C(c2nc3cc(Cl)ccc3[nH]2)CC1 73636242 RIUQWXFYPVWSKR-UHFFFAOYSA-N 247.729 2.935 0 40 BFAB Cc1nn(-c2ccccc2)c(C)c1[C@H]1CCCN1 75868102 HEUVPHQPEQBIGY-CQSZACIVSA-N 241.338 2.914 0 40 BFAB Cc1ccc(F)c(OCCC2OCCCO2)c1 89064048 PLEBEVQWSHJPSO-UHFFFAOYSA-N 240.274 2.666 0 40 BFAB CCc1onc(C)c1NC(=O)N(C)C1CCC1 89414644 QOGPHNPWEYQSHX-UHFFFAOYSA-N 237.303 2.562 0 40 BFAB Nc1c(Cl)cccc1OC(F)(F)F 91252318 NNDFBODLWFJOSA-UHFFFAOYSA-N 211.570 2.821 0 40 BFAB in-vitro Fc1ccc(CNc2nnc(Cl)s2)cc1 95990294 FOSCNLYCFWXUBY-UHFFFAOYSA-N 243.694 2.943 0 40 BFAB CCCn1cc(CNCCc2ccccc2)cn1 172043482 FZNCCMWFOBFUTH-UHFFFAOYSA-N 243.354 2.625 0 40 BFAB Cc1csc(-c2cc([C@H]3CCCN3)ccn2)n1 205690711 YKXHCJFQPOLWFS-LLVKDONJSA-N 245.351 2.938 0 40 BFAB Cc1ccc(Cc2c(N)ncnc2Cl)cc1 225311621 HAKVJVODOWWTJW-UHFFFAOYSA-N 233.702 2.611 0 40 BFAB CCn1c(C=O)ccc1Cc1ccccc1 226027311 DMCBQXFMAXGUMN-UHFFFAOYSA-N 213.280 2.911 0 40 BFAB CC(=O)c1cc2c(cc1C)OC(C)(C)C2 238168101 CVNUHIOBZNLDGI-UHFFFAOYSA-N 204.269 2.911 0 40 BFAB COC(=O)c1cn(CC2CC2)c2ccccc12 260783495 ZXVRXLBMTXVONY-UHFFFAOYSA-N 229.279 2.838 0 40 BFAB CCOC(=O)c1sc2c(C)cccc2c1N 261109418 GLJSFTJDXZHWSX-UHFFFAOYSA-N 235.308 2.969 0 40 BFAB Cc1cc(Nc2ccc(Cl)cn2)ncn1 1565522266 LYZWICUAHZLRGH-UHFFFAOYSA-N 220.663 2.577 0 40 BFAB c1ccc2c(c1)c1ccccc1n2-c1ncncn1 1857793349 XAILXJAVXFVNHK-UHFFFAOYSA-N 246.273 2.969 0 40 BFAB CC[C@@H](C)NC(=O)Nc1ccccc1F 137456 HIINMZWFGXOQJA-MRVPVSSYSA-N 210.252 2.746 0 40 BFAB Cc1cccc(OC(=O)c2cccnc2)c1C 363980 ISNKNUUHBASGIP-UHFFFAOYSA-N 227.263 2.918 0 40 BFAB CC(C)=CCC/C(C)=C/CN1C(=O)C=CC1=O 1740866 JSPKKJGNJHTIIK-FMIVXFBMSA-N 233.311 2.604 0 40 BFAB CCCCCOC[C@@H](O)c1ccccc1 2045219 ZVWXUACKKYVFMA-CYBMUJFWSA-N 208.301 2.927 0 40 BFAB CCOC(=O)CCCCCCC(=O)C1CC1 2379040 OBLTUUKSOKLFNO-UHFFFAOYSA-N 226.316 2.869 0 40 BFAB CCOC(=O)C(=O)Nc1ccc([C@@H](C)CC)cc1 2750579 BUEHJMSQHIMBCE-JTQLQIEISA-N 249.310 2.702 0 40 BFAB CC(C)[C@@H](CCN)[C@H]1CCOC(C)(C)C1 4046507 WPYLQMXZEZDIRU-NWDGAFQWSA-N 213.365 2.813 0 40 BFAB biogenic CCC(CC)C(=O)Nc1ccc(C)cn1 5393148 LPYXBIGAWHPPQF-UHFFFAOYSA-N 206.289 2.765 0 40 BFAB CN1CCC[C@@H]2c3ccccc3CC[C@@H]21 5395513 CAIZFPWDMVYDRN-KGLIPLIRSA-N 201.313 2.811 0 40 BFAB OCC1(c2cc(C(F)(F)F)[nH]n2)CCCCC1 13118317 YZIRFHYBSTVCNX-UHFFFAOYSA-N 248.248 2.623 0 40 BFAB CCOc1ccc(C(=O)N2CCCC2)cc1C 13582370 MQPWOZDUSIDLAT-UHFFFAOYSA-N 233.311 2.630 0 40 BFAB Cc1cc(NC(=O)c2ccc(Cl)cc2)on1 13596631 NKNMONDDSNGEGO-UHFFFAOYSA-N 236.658 2.889 0 40 BFAB Cc1ccc2nc(-c3ccncc3)oc(=O)c2c1 15922197 BERUJTJQUXPEDO-UHFFFAOYSA-N 238.246 2.558 0 40 BFAB CC(C)[C@@H](C)Nc1ccc2c(c1)OCO2 19966284 SWKNPSKEVOKLAM-SECBINFHSA-N 207.273 2.872 0 40 BFAB C[C@@](Cc1nc2ccccc2[nH]1)(C(=O)O)C1CC1 20285219 ZNQVCTBFPDXIKI-AWEZNQCLSA-N 244.294 2.606 0 40 BFAB Nc1ccccc1NC(=O)c1ccc(F)cc1 20343220 UCWDFJKNVAJOKJ-UHFFFAOYSA-N 230.242 2.660 0 40 BFAB Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2C)cc1N 22163492 YYGFAZHNTCCNPX-RISCZKNCSA-N 246.354 2.886 0 40 BFAB Cc1ccc([C@@H]2NCCn3cccc32)s1 26422977 FGRABGSVCLAEBF-GFCCVEGCSA-N 218.325 2.551 0 40 BFAB Cc1ccc(C(=O)N(C)c2ccccc2)cn1 32903931 BFMCXEWNKFLILB-UHFFFAOYSA-N 226.279 2.667 0 40 BFAB Cc1csc(COc2ccccc2C(=O)O)n1 33425002 COGIXMOOTJNCFS-UHFFFAOYSA-N 249.291 2.729 0 40 BFAB Cc1n[nH]cc1CN[C@@H]1CCCc2ccccc21 36901609 NLLDNUJOZCHGSW-OAHLLOKOSA-N 241.338 2.885 0 40 BFAB Cc1ccc2nc([C@H]3CCCCN3)[nH]c2c1 37288978 FOMRBMULORDEIF-LLVKDONJSA-N 215.300 2.686 0 40 BFAB COc1ccc(Nc2cccnc2)cc1 39117598 XDMWLYBEGIABST-UHFFFAOYSA-N 200.241 2.834 0 40 BFAB CCc1ccc(CCC(=O)NCC2CC2)cc1 40051572 NKIRCQXXJBGVCL-UHFFFAOYSA-N 231.339 2.708 0 40 BFAB CCCC(=O)c1ccc(OCC)cc1O 40537716 WCYMNJGPQHWXIP-UHFFFAOYSA-N 208.257 2.774 0 40 BFAB CCC[C@H](C)Nc1ccc(N)cc1C(=O)OC 41080149 CGVPKGHYWSNTKI-VIFPVBQESA-N 236.315 2.656 0 40 BFAB Clc1nc(-c2cccnc2)nc2c1CCC2 42400212 SCTJKAUVNFUNMG-UHFFFAOYSA-N 231.686 2.681 0 40 BFAB in-vitro CCOc1ccc([C@@](C)(O)C2CC2)cc1 55192054 QMQMNGVZMUOOBQ-ZDUSSCGKSA-N 206.285 2.703 0 40 BFAB CCN(C(=O)[C@@H]1C[C@@H]1C)c1ccc(F)cc1 58324176 IVHZQQIIQOLEKG-JOYOIKCWSA-N 221.275 2.835 0 40 BFAB N[C@@H]1C[C@@H]1c1ccc(-c2ccccc2F)o1 70452934 MBQNDLPEUBCBCX-GXSJLCMTSA-N 217.243 2.900 0 40 BFAB CCCOc1ccc(NC(N)=O)cc1Cl 71808674 ODPJKWOYEFWUHT-UHFFFAOYSA-N 228.679 2.619 0 40 BFAB Cc1nc(SC(C)(C)C)ccc1CCO 72224919 DKTLVXPDICVROO-UHFFFAOYSA-N 225.357 2.815 0 40 BFAB C=Cc1cnc(I)c(C)c1 72225967 WYFJCLXOMQJDNY-UHFFFAOYSA-N 245.063 2.638 0 40 BFAB Cc1ccc(F)c(Br)c1O 75882634 MISWWZVWTZLYIC-UHFFFAOYSA-N 205.026 2.602 0 40 BFAB O=C(C1CC=CC1)N1CC[C@@H]2CCCC[C@H]21 76985118 QCBVNZPXMGZBJL-WCQYABFASA-N 219.328 2.744 0 40 BFAB O=C(O)c1cn(CC2CC2)c2ccccc12 82687449 NQARVUKZERKXQQ-UHFFFAOYSA-N 215.252 2.750 0 40 BFAB CC(=O)Cc1cc(C(F)(F)F)ccc1F 95913017 QEFRNOHJVWLGMS-UHFFFAOYSA-N 220.165 2.976 0 40 BFAB C[C@@H]1CC[C@H]1COc1cccc(C(=O)O)c1 96526471 OEURKRGZXDFXHF-KOLCDFICSA-N 220.268 2.810 0 40 BFAB C[C@@H](CSCC(=O)NC1CC1)c1ccccc1 97046911 KEFNPLRUNRCPRJ-NSHDSACASA-N 249.379 2.802 0 40 BFAB C[C@@H](Cc1cccs1)C(=O)N1CCCC1 98013227 OWQPMPREXUEBST-JTQLQIEISA-N 223.341 2.549 0 40 BFAB CC(C)N(C(=O)c1cocn1)c1ccccc1 105369708 UYWWVWSZNQXVNZ-UHFFFAOYSA-N 230.267 2.730 0 40 BFAB C[C@H](C(=O)O)N(C)c1cccc2ccccc12 113252207 DFVGBNVFYCYLDR-SNVBAGLBSA-N 229.279 2.749 0 40 BFAB CC(C)(C)CCS[C@H]1CCN(C2CC2)C1=O 195573129 GVTUOINUQMVLQT-NSHDSACASA-N 241.400 2.919 0 40 BFAB Cc1c(-c2ccccc2Cl)nc(N)n1C 199559899 TXXBPZSRJDCMFO-UHFFFAOYSA-N 221.691 2.631 0 40 BFAB COc1cc(C2CC2)cc(OC)c1OC 218246123 NAQHWLJZQJXFAD-UHFFFAOYSA-N 208.257 2.590 0 40 BFAB Cc1cc(NCc2ccncc2)cc(C)c1N 223773823 OHOUWZNJJHMFTF-UHFFFAOYSA-N 227.311 2.893 0 40 BFAB CCCn1ccc(NCc2ccnn2C(C)C)n1 256050586 FQPSKGSBKFFJQC-UHFFFAOYSA-N 247.346 2.683 0 40 BFAB Cc1c(NCc2cccs2)cnn1CCF 256054563 WVBRWJOBQLSKSB-UHFFFAOYSA-N 239.319 2.835 0 40 BFAB Nc1ccccc1/C=C(\C(=O)O)c1ccccc1 1577052 XCTOVUZGSGGMPY-RAXLEYEMSA-N 239.274 2.894 0 40 BFAB OCCOc1ccc(Oc2ccccc2)cc1 3122985 GFDTXHCIHYNABU-UHFFFAOYSA-N 230.263 2.850 0 40 BFAB O=C(Nc1cccc(O)c1)c1ccccc1F 3160090 GMTKRBXGJLIBHH-UHFFFAOYSA-N 231.226 2.784 0 40 BFAB O=C(O)Cc1coc2cc3c(cc12)CCC3 3278525 FFQRKQKXMFFTME-UHFFFAOYSA-N 216.236 2.549 0 40 BFAB in-vitro CCC(=O)Nc1nnc(-c2ccc(C)cc2C)o1 5169619 YJRRWKPNPNTWDB-UHFFFAOYSA-N 245.282 2.702 0 40 BFAB Cc1ccc(NC(=O)C2CCCCC2)nc1 6755400 FEKRKQQSLOBGIF-UHFFFAOYSA-N 218.300 2.909 0 40 BFAB CC[C@H](Oc1ccc(C)cc1)C(=O)NC(C)C 8041811 BVRDUBGAASDYDT-ZDUSSCGKSA-N 235.327 2.677 0 40 BFAB Oc1cccc(C(=S)NC2CCCCC2)c1 9188047 LVYAWNITCGCWJP-UHFFFAOYSA-N 235.352 2.990 0 40 BFAB Cc1cc(Nc2ccccc2)n2ncc(C#N)c2n1 12759158 LASMRWQRTPAICE-UHFFFAOYSA-N 249.277 2.653 0 40 BFAB COc1cccc(NCc2ccco2)c1 19964006 YAEDHNFGHUNKBQ-UHFFFAOYSA-N 203.241 2.900 0 40 BFAB O=C1Cc2ccc(-c3ccccc3)cc2N1 38997121 BRTXRFCARXOWJV-UHFFFAOYSA-N 209.248 2.848 0 40 BFAB COc1ccc(SC[C@H]2CCCCN2)cc1 43495136 IMKRALCTTFTFOR-LLVKDONJSA-N 237.368 2.929 0 40 BFAB Nc1cncc(-c2nc3c(Cl)cccc3[nH]2)c1 62946700 RAZPVRYWUXURQC-UHFFFAOYSA-N 244.685 2.861 0 40 BFAB Oc1cccc(-c2n[nH]c(-c3cccs3)n2)c1 64874542 XUNTWKLXLMMVMW-UHFFFAOYSA-N 243.291 2.906 0 40 BFAB CCN1CC[C@H](NCc2ccccc2)[C@H](C)C1 73653945 NJVYAWGVQIBTKH-HIFRSBDPSA-N 232.371 2.507 0 40 BFAB Cc1ccc2nc(N)sc2c1Br 78582607 ANLIXSKLCWCFNZ-UHFFFAOYSA-N 243.129 2.949 0 40 BFAB CS[C@@H]1CCCN(c2ccccc2)C1=O 79355828 VKCHVODLKKWPDO-LLVKDONJSA-N 221.325 2.545 0 40 BFAB Cc1ccc(NC(=O)[C@H]2CCCN(C)C2)c(C)c1 82322511 WFMMITYDSHVLCO-ZDUSSCGKSA-N 246.354 2.584 0 40 BFAB CCc1ccccc1NC(=O)[C@@H]1CCCN(C)C1 82323166 MCEXIVKNNZFBFA-CYBMUJFWSA-N 246.354 2.529 0 40 BFAB CS[C@@H](C)CNC(=O)Nc1cccc(F)c1 89901158 VWZNOGUQNXCLPV-QMMMGPOBSA-N 242.319 2.699 0 40 BFAB Cc1cnc([C@@H](C)NC2CCSCC2)s1 95968997 FELLZYBATWBYSR-SECBINFHSA-N 242.413 2.998 0 40 BFAB Cc1cncn1-c1cc(N)cc(C(F)(F)F)c1 116537598 ZGBBNCRXIKHGIB-UHFFFAOYSA-N 241.216 2.782 0 40 BFAB in-vitro CC(C)CNCc1ccc(C(F)(F)F)cn1 166155554 XNCWUIXGFYLITH-UHFFFAOYSA-N 232.249 2.846 0 40 BFAB Cc1cccc(N[C@@H]2CCCC[C@@H]2N)c1C 218863913 AOGHWPXCEZQQLB-GXTWGEPZSA-N 218.344 2.985 0 40 BFAB Cc1c(O)nc2cccc(Cl)c2c1O 685937384 SAAQRNLDYQWCRD-UHFFFAOYSA-N 209.632 2.608 0 40 BFAB CCC(CC)C(=O)NCc1ccc(F)cc1 253616 AYNMIZHWZZNZCP-UHFFFAOYSA-N 223.291 2.878 0 40 BFAB Clc1cc2c(nn1)-c1ccccc1C2 1574792 VJTAUXIOCSMZMH-UHFFFAOYSA-N 202.644 2.701 0 40 BFAB CCOC(=O)N(C)Cc1ccc(Cl)cc1 1668419 VGLDBHGFDDGKOV-UHFFFAOYSA-N 227.691 2.928 0 40 BFAB CCC(=O)C[C@@H]1CCC[C@H](CC(=O)CC)N1C 1716558 UKHHFOBGFNUOCK-TXEJJXNPSA-N 239.359 2.578 0 40 BFAB c1ccc2c(C[C@H]3CCCNC3)c[nH]c2c1 2037323 ZPDWYCFLVVDESE-LLVKDONJSA-N 214.312 2.710 0 40 BFAB O=S(=O)(O)c1ccc2cc(Cl)ccc2c1 2518323 ONLHWRHIJDODKO-UHFFFAOYSA-N 242.683 2.740 0 40 BFAB Cc1cc(NN)c2ccc(Cl)c(C)c2n1 2564410 TUGLQHYGGIEPQX-UHFFFAOYSA-N 221.691 2.791 0 40 BFAB Cc1cccc(NC(=O)c2ccc(C)o2)n1 5936121 PLDNBJZGHFXMHC-UHFFFAOYSA-N 216.240 2.544 0 40 BFAB CCc1nccn1C(=S)Nc1ccc(F)cc1 6160409 ZAJWRMCERFOKNQ-UHFFFAOYSA-N 249.314 2.830 0 40 BFAB CCCCN1C(=O)C(=O)c2cc(Cl)ccc21 7261576 WJVZGZNNJNUGOK-UHFFFAOYSA-N 237.686 2.669 0 40 BFAB N#CNc1nc(-c2ccccc2)cs1 13638860 QNZWYNXWWQSXHK-UHFFFAOYSA-N 201.254 2.703 0 40 BFAB c1ccc(-c2cc3[nH]c4cccnc4n3n2)cc1 16492841 GWEAGLPJJFORIK-UHFFFAOYSA-N 234.262 2.878 0 40 BFAB CCCCn1c(CCCN)nc2ccccc21 19734033 APXYPEGXPTZCKR-UHFFFAOYSA-N 231.343 2.728 0 40 BFAB CCCOC(=O)c1c[nH]c2ccccc12 22975788 NIFJDURIIDDXPM-UHFFFAOYSA-N 203.241 2.735 0 40 BFAB Cc1c(Cl)cccc1NC(=O)c1cnn(C)c1 24014464 APLIZXLIRBFMQQ-UHFFFAOYSA-N 249.701 2.634 0 40 BFAB COC(=O)[C@H](C)Sc1ccc(Cl)cc1 34409302 LMMPYODKIVQSLD-ZETCQYMHSA-N 230.716 2.994 0 40 BFAB NC[C@@H](CC(=O)O)c1ccc(Cl)c(Cl)c1 34741734 XISRLVACEZPSFU-SSDOTTSWSA-N 248.109 2.510 0 40 BFAB CCCCC(=O)N1CCc2nc(C)sc2C1 41194318 LJKJZTJIXQWRBX-UHFFFAOYSA-N 238.356 2.526 0 40 BFAB CC(=O)Nc1ccc(-c2cnc(C)o2)cc1 43965612 ULOQYANUUCAZPA-UHFFFAOYSA-N 216.240 2.608 0 40 BFAB CNC(=O)c1ccc(SC(C)C)cc1 48190731 ZTEJDUQPFNCEGB-UHFFFAOYSA-N 209.314 2.547 0 40 BFAB Cc1ccoc1C(=O)N1C[C@@H](C)C[C@H](C)C1 48354108 DEFAOUGAKFMTBM-UWVGGRQHSA-N 221.300 2.706 0 40 BFAB CO[C@H](CN)c1ccc(Cl)cc1Cl 62711414 JEKKETLJQMYLAY-SECBINFHSA-N 220.099 2.640 0 40 BFAB CC[C@@H](NC(=O)C1CC1)c1ccc(OC)cc1 70242472 PZFOQOWHBHWQDJ-CYBMUJFWSA-N 233.311 2.673 0 40 BFAB C[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1ccco1 71894486 WMIVYMCADBSEON-YGRLFVJLSA-N 241.290 2.943 0 40 BFAB CCOCCC(=O)NC[C@H](C)c1ccc(C)cc1 71915299 BSTWGBGXHHCEQQ-ZDUSSCGKSA-N 249.354 2.641 0 40 BFAB CN1CCCC[C@@H]1c1cccnc1Cl 72211511 LHFDZNFXIBNCDY-SNVBAGLBSA-N 210.708 2.892 0 40 BFAB Cc1cc([C@H]2CCCCN2C(C)C)c[nH]c1=O 72217978 PPJKZGUCQZIBAJ-CYBMUJFWSA-N 234.343 2.619 0 40 BFAB Cc1cc([C@@H]2CCCCN2)cnc1N1CCCC1 72218812 YVLWYMGTEFUYRT-AWEZNQCLSA-N 245.370 2.805 0 40 BFAB CC[C@@H](N)c1ccc(NC(C)C)nc1C 72224054 CNMWPJBXRQGCHF-LLVKDONJSA-N 207.321 2.620 0 40 BFAB CCc1c(C(=O)O)cc(C(C)=O)n1C(C)C 78404560 MPKDXTXOLJUKNS-UHFFFAOYSA-N 223.272 2.532 0 40 BFAB CCc1onc(C)c1NC(=O)[C@H]1CC1(C)C 89409169 UOMLCNASEVQMES-MRVPVSSYSA-N 222.288 2.530 0 40 BFAB CC[C@H]1CCCN(C(=O)[C@@H]2CCCS2)C1 89948290 JLMMBFMKXYIXQH-QWRGUYRKSA-N 227.373 2.531 0 40 BFAB Cc1c2c(nc3ccccc13)CCC[C@@H]2N 95097478 MMFBKLLCGLRBJW-NSHDSACASA-N 212.296 2.879 0 40 BFAB COc1cccc(CNC[C@@H]2CCO[C@@H](C)C2)c1 95457720 LVPSHDBNVJBBSE-GXTWGEPZSA-N 249.354 2.600 0 40 BFAB O=C(O)C12CC3C[C@@H](C1)C(F)(F)[C@@H](C3)C2 100076762 STPITGHNDOOTFQ-VHSUDJNHSA-N 216.227 2.533 0 40 BFAB CC(C)C(=O)n1c(=N)oc2ccc(Cl)cc21 104336230 IXRPKVHVBMUYKO-UHFFFAOYSA-N 238.674 2.663 0 40 BFAB CCOC(=O)c1ccc(C)c(-n2cccc2)c1 226244644 XOMSFPNZJFXAKL-UHFFFAOYSA-N 229.279 2.962 0 40 BFAB CCO[C@H](CNC(=O)[C@@H]1C[C@H]1C)c1ccccc1 248845686 TWCRWVUIKITSDZ-MRVWCRGKSA-N 247.338 2.536 0 40 BFAB CCn1nc(C)c(CNCc2ccccc2)c1F 256054034 USBBVANZHJSZAW-UHFFFAOYSA-N 247.317 2.640 0 40 BFAB Cc1cnc(Nc2cccc(Cl)c2)nc1O 408979561 MUVDLCVMAHHYLK-UHFFFAOYSA-N 235.674 2.888 0 40 BFAB COC(=O)CCC(=O)c1ccccc1C(C)C 575357556 PZBBRHNKQSPNKX-UHFFFAOYSA-N 234.295 2.946 0 40 BFAB O=C(COC(=O)c1cccs1)c1ccccc1 74034 SGPCEFGITALHGC-UHFFFAOYSA-N 246.287 2.788 0 40 BFAB CCOC(=O)[C@@H](c1ccccc1)n1cccc1 165754 KDWUERNOAYIKFV-CYBMUJFWSA-N 229.279 2.641 0 40 BFAB CC(C)C[C@@H](O)C[C@](C)(O)CC(C)C 1697022 AXJSGBKOGGOYCG-VXGBXAGGSA-N 202.338 2.581 0 40 BFAB O=C1CCCCN1c1ccccc1Cl 2524358 IENRQYXCTZLQDI-UHFFFAOYSA-N 209.676 2.857 0 40 BFAB CC1(C)C(C(=O)N2CCCCC2)C1(C)C 3092790 SBSJWKJHOPXTPL-UHFFFAOYSA-N 209.333 2.681 0 40 BFAB N[C@@H](c1ccc(Br)cc1)C1CC1 3739284 CFTNYXDVHSKCKL-SNVBAGLBSA-N 226.117 2.859 0 40 BFAB CC1=C[C@H](C)[C@@]2(CO)CO[C@@H](C(C)C)[C@@H]1[C@H]2C 4026501 BNAPJYMSXNSYQF-AIEDFZFUSA-N 238.371 2.868 0 40 BFAB CC(C)[C@@H](CCN)[C@@H]1CCOC(C)(C)C1 4046504 WPYLQMXZEZDIRU-VXGBXAGGSA-N 213.365 2.813 0 40 BFAB biogenic Cc1c(Cl)cccc1NC1=NC(=O)CS1 4739974 VYDDPKAARITHFP-UHFFFAOYSA-N 240.715 2.690 0 40 BFAB O=C1N[C@@H](c2cccc(F)c2)Oc2ccccc21 5001185 YLGWUAIQLDLSNP-CQSZACIVSA-N 243.237 2.647 0 40 BFAB C[C@@H](NC(=O)c1ccccc1F)C(C)(C)C 5532111 OGGGVYDWJRJKEB-SECBINFHSA-N 223.291 2.990 0 40 BFAB CC(=O)CC(=O)Nc1c(C)cc(C)cc1Cl 6527718 CFIDYCGQNKULEB-UHFFFAOYSA-N 239.702 2.874 0 40 BFAB CCNc1nc(=S)[nH]c2ccccc12 6649877 LUTLRQRICULTRC-UHFFFAOYSA-N 205.286 2.724 0 40 BFAB in-vitro Cc1cc(C(=O)Nc2nccs2)c(C)o1 7655120 MFDDEIUCXJPBNK-UHFFFAOYSA-N 222.269 2.605 0 40 BFAB Cc1ccccc1NC(=O)CN1CCCCCC1 7781927 NVZZGLFNWCVRRI-UHFFFAOYSA-N 246.354 2.810 0 40 BFAB CC1=Cc2ccccc2[C@H]1NCC(C)(C)C(=O)O 8730700 RBGGUEZBDRIZGV-ZDUSSCGKSA-N 245.322 2.845 0 40 BFAB CCCCC(=O)N[C@@H](C)c1nc2ccccc2[nH]1 9466808 ZADUTMQYNJMWCZ-JTQLQIEISA-N 245.326 2.930 0 40 BFAB Cc1ccc(OCC(F)(F)F)c(N)c1 12505566 KEZYPLOSCUQEMB-UHFFFAOYSA-N 205.179 2.518 0 40 BFAB in-vitro O=C(C[C@H]1C=CCC1)Nc1cccc2cn[nH]c12 12883423 FQFODPSBQDVPES-JTQLQIEISA-N 241.294 2.858 0 40 BFAB N[C@H]1CCc2nc(-c3ccccc3)sc2C1 13911983 NMUFBUGPVRCLFH-JTQLQIEISA-N 230.336 2.626 0 40 BFAB O=C(Nc1nccs1)c1ccc(F)cc1 17730058 GLKZLHORRCXWPN-UHFFFAOYSA-N 222.244 2.535 0 40 BFAB CCOc1ccc(-c2nc(CO)c(C)o2)cc1 21924402 RRZLWULXIGONOW-UHFFFAOYSA-N 233.267 2.541 0 40 BFAB CC[C@H]1COC(=O)N1c1ccc(C)cc1 26897100 YVUBAWKRZSEUIW-JTQLQIEISA-N 205.257 2.730 0 40 BFAB O=C(O)[C@@H]1C[C@@H]1c1cccc(Br)c1 31829288 WQKBKSZJAIBOED-RKDXNWHRSA-N 241.084 2.637 0 40 BFAB Cc1cc(C)c2cc(C(=O)N3CCC3)[nH]c2c1 32893615 AQVDKJYHPMJERU-UHFFFAOYSA-N 228.295 2.631 0 40 BFAB CN(C)CCc1ccc(Br)cc1 34432098 RWCMKTSVOYKLQY-UHFFFAOYSA-N 228.133 2.553 0 40 BFAB in-vitro Cc1cc(/C=C/C(=O)O)ccc1Br 36205452 XNXYODNQTPMVQG-HWKANZROSA-N 241.084 2.855 0 40 BFAB C1CCC(CNC[C@H]2CCCOC2)CC1 38043801 JYOXVMDFIRJBJJ-CYBMUJFWSA-N 211.349 2.583 0 40 BFAB C/C(=C/C(=O)O)C(=O)Nc1ccc(C(C)C)cc1 41125362 JXRDZBGEYXTOAW-NTMALXAHSA-N 247.294 2.779 0 40 BFAB CCC(CC)CN(CC)C(=O)c1cc(C)on1 42919097 NSHPMYLQNDVJOE-UHFFFAOYSA-N 238.331 2.881 0 40 BFAB CCOC(=O)c1c(F)cc(Cl)cc1F 44201007 XYUKGBLOCAJQMA-UHFFFAOYSA-N 220.602 2.795 0 40 BFAB in-vitro COC(=O)c1c[nH]cc1-c1ccc(F)cc1 45165714 GQZYADSUCVLVOO-UHFFFAOYSA-N 219.215 2.607 0 40 BFAB Cc1ccnn1-c1ccc(Br)cc1 48218360 NXLMUQRZRCYGCO-UHFFFAOYSA-N 237.100 2.943 0 40 BFAB Cc1ccc(C(=O)[C@@H](C)CN2CCCC2)cc1 49822168 FAENLMJGSDVGQL-ZDUSSCGKSA-N 231.339 2.910 0 40 BFAB CCC(=O)N[C@@H](C)c1ccc2c(c1)CCC2 53388184 KLJPEKUEBBMXOJ-JTQLQIEISA-N 217.312 2.763 0 40 BFAB O=C(O)c1cc(-c2ccccc2)ns1 59546373 IEGXCDUXWSIMOK-UHFFFAOYSA-N 205.238 2.508 0 40 BFAB Cc1nc(C(=O)OCc2ccccc2)cs1 69312581 WTELSUMLAYYAED-UHFFFAOYSA-N 233.292 2.809 0 40 BFAB Nc1cc(-c2ccccc2)c(Cl)cn1 71256202 KYTPDOQYURFLOH-UHFFFAOYSA-N 204.660 2.984 0 40 BFAB c1ccc([C@@H]2CCCN2Cc2cccnc2)nc1 72381590 ZAWZYVFGUHBMQN-HNNXBMFYSA-N 239.322 2.814 0 40 BFAB CC(C)[C@@H](CO)NCc1ccc(Cl)c(F)c1 80789566 QBMXNPOTONXTKQ-GFCCVEGCSA-N 245.725 2.586 0 40 BFAB Cc1cnc(N)nc1-c1ccc(Cl)cc1 82442056 DJHNKVOGWOVFQD-UHFFFAOYSA-N 219.675 2.688 0 40 BFAB C[C@@H]1CCC(=O)[C@H](Cc2ccncc2)C1 86354841 BRQVPXAOCUMTRR-PWSUYJOCSA-N 203.285 2.629 0 40 BFAB CCN(Cc1cc[nH]n1)C1CCCCC1 95453796 YMTWZSGKCWMLMR-UHFFFAOYSA-N 207.321 2.564 0 40 BFAB Cc1cc(-c2ccc(CC(=O)O)cc2)ccn1 95635285 UCPQVNYTDUMFJH-UHFFFAOYSA-N 227.263 2.684 0 40 BFAB in-vitro CCn1c2nc(S)nnc2c2cccc(C)c21 96319328 QCRJZUVKTJCTNM-UHFFFAOYSA-N 244.323 2.597 0 40 BFAB C[C@@H](Cc1ccco1)NC(=O)[C@@H]1C[C@H]2CC[C@H]1C2 105642962 NWDHQGZLEDTXGH-ZJQBRPOHSA-N 247.338 2.763 0 40 BFAB CN(C)C(=O)c1ccc2nc(Cl)sc2c1 116992929 ATDHFHVYYBXALA-UHFFFAOYSA-N 240.715 2.652 0 40 BFAB C[C@H](O)CN[C@H]1C[C@H](c2ccccc2)C1(C)C 123671834 OKHGITDXBGVGTH-YUTCNCBUSA-N 233.355 2.539 0 40 BFAB O=C(O)[C@@H]1C[C@@H]1c1cccc(Cl)c1F 125064618 SBNZLYNJIDZCIL-RNFRBKRXSA-N 214.623 2.667 0 40 BFAB CCCn1cc(NCc2cccc(O)c2)cn1 153231108 ZXPFVDCDBCDSTH-UHFFFAOYSA-N 231.299 2.611 0 40 BFAB CCc1cccc(C)c1-n1ccc(CO)c1 223733749 FWWDUPAENGBXRX-UHFFFAOYSA-N 215.296 2.840 0 40 BFAB C[C@@H]1C[C@@H](NC(=O)[C@H]2C[C@H]2C)CC(C)(C)C1 225585207 HCNCEEAFXADKPJ-KKOKHZNYSA-N 223.360 2.973 0 40 BFAB CCCOCc1nn(CC)cc1Br 408715959 HFHVQTYUYSDYOB-UHFFFAOYSA-N 247.136 2.592 0 40 BFAB COc1ccc2c(c1)O[C@H](C)c1sc(=N)[nH]c1-2 408722298 GSHKQWHILCXGHD-ZCFIWIBFSA-N 248.307 2.685 0 40 BFAB COc1cccc(C(=S)N2CCCCC2)c1 306117 YMKKUNZWKJWHJW-UHFFFAOYSA-N 235.352 2.857 0 40 BFAB CCN(CC)C[C@@H](O)c1ccc(Cl)cc1 2048089 SCDVMBDRHVNOKM-GFCCVEGCSA-N 227.735 2.715 0 40 BFAB Clc1ccc(C2=NCOCS2)cc1 3633855 AFHWEGXDWKSXKJ-UHFFFAOYSA-N 213.689 2.765 0 40 BFAB CCCN(CCC)CCCCCCN 4226789 PRYHGAIOUAEZMO-UHFFFAOYSA-N 200.370 2.628 0 40 BFAB Cn1cccc1CNC1CCCCCC1 5051151 VATCCGTZOOBIFI-UHFFFAOYSA-N 206.333 2.838 0 40 BFAB O=C(CNc1ccccc1F)Nc1ccccc1 5453223 YLLVZIHUULVIRF-UHFFFAOYSA-N 244.269 2.876 0 40 BFAB O=C(CCc1ccccc1)C(F)(F)F 6096123 TVQSAEOXFNDKAG-UHFFFAOYSA-N 202.175 2.751 0 40 BFAB in-vitro Cc1cc(NC(=O)c2cccc(Cl)c2)n(C)n1 13596263 OUOQRKSOGYLHSD-UHFFFAOYSA-N 249.701 2.634 0 40 BFAB S=C(NCc1ccccc1)Nc1ccncc1 13837252 PCUDQZBJNIWVQM-UHFFFAOYSA-N 243.335 2.568 0 40 BFAB CN(C)C(=S)Nc1ccccc1Cl 16216948 DEOWLDSLAKPWIZ-UHFFFAOYSA-N 214.721 2.598 0 40 BFAB C(=C/[C@@H]1C[C@@H]2CCCN2O1)\c1ccccc1 17062725 POSFKVVXEVYCJA-NYCDYWJRSA-N 215.296 2.868 0 40 BFAB C[C@H]1CCCCN1C(=O)c1ccnc(Cl)c1 19813380 SZJMOBJLNCPSDE-VIFPVBQESA-N 238.718 2.750 0 40 BFAB Cc1ccc(S[C@@H]2CCCCNC2=O)cc1 28202981 HHTKBDYSUTYPCY-GFCCVEGCSA-N 235.352 2.756 0 40 BFAB CN(C)c1c(Cl)ccc(C(=O)O)c1Cl 35065832 RBVZQHXGLQCWGX-UHFFFAOYSA-N 234.082 2.758 0 40 BFAB CCC[C@H](C)N(C)C(=O)c1cc(Cl)ccn1 35238949 QXVXJNAZXSDDEM-VIFPVBQESA-N 240.734 2.996 0 40 BFAB Cc1ccc(OCc2nc(C=O)cs2)cc1 38342149 BLJUMITVSFOABQ-UHFFFAOYSA-N 233.292 2.843 0 40 BFAB in-vitro O=c1ccc(-c2ccccc2)nn1-c1ccccc1 39246610 UKHCFSJQQQJRCA-UHFFFAOYSA-N 248.285 2.900 0 40 BFAB COc1ccc(I)c(C)c1 39406678 QFUGOWDTHUONFO-UHFFFAOYSA-N 248.063 2.608 0 40 BFAB CCOc1ccc([C@H](O)c2ccco2)cc1 40244650 NCIUMKVMNYKSBM-ZDUSSCGKSA-N 218.252 2.760 0 40 BFAB C[C@@H](Sc1ncn[nH]1)c1ccccc1F 44029596 GZKGMGYNDHTLAQ-SSDOTTSWSA-N 223.276 2.797 0 40 BFAB Fc1ccc(C2OCCO2)c(Cl)c1 44228036 DLYXMBDBBITZSQ-UHFFFAOYSA-N 202.612 2.525 0 40 BFAB in-vitro CCOC[C@H](C)Nc1ncnc2ccsc12 44416404 TVUIKAZFDARSON-QMMMGPOBSA-N 237.328 2.528 0 40 BFAB Cc1ccncc1C(=O)c1c(F)cccc1F 45029027 QYSGDMLSXCVRSP-UHFFFAOYSA-N 233.217 2.899 0 40 BFAB Fc1cccc(Cl)c1CO[C@@H]1CCCNC1 51787517 CERHMNMQRZGLJX-SECBINFHSA-N 243.709 2.748 0 40 BFAB Cc1cc(C(=O)CC(C)(C)C(=O)O)ccc1F 57529248 XGDCCKPIIVMFGM-UHFFFAOYSA-N 238.258 2.818 0 40 BFAB CN1CCC(NCc2ccc(Cl)cc2)CC1 58055236 KYLUHXDDGXUFFY-UHFFFAOYSA-N 238.762 2.524 0 40 BFAB Cc1nn(C)c(Cl)c1CNc1ccccc1 58434545 VAZQKYAABCGHKO-UHFFFAOYSA-N 235.718 2.994 0 40 BFAB CCNC(=O)c1ccc(-c2csc(C)n2)cc1 64677374 AEQUXVILWRJAGI-UHFFFAOYSA-N 246.335 2.868 0 40 BFAB CCCN1CC[C@@H](CNc2cccc(C)n2)C1 65523330 XZKXWAXILJJOFB-ZDUSSCGKSA-N 233.359 2.534 0 40 BFAB Cc1ccc(-c2noc(C)c2C(=O)O)c(C)c1 70426673 ASGINJVVNITJMJ-UHFFFAOYSA-N 231.251 2.965 0 40 BFAB COc1ccccc1[C@@H]1CCCNCC1 71509665 YNWPZGRIGSBCGX-LLVKDONJSA-N 205.301 2.552 0 40 BFAB COCC(=O)N(C)[C@@H](c1ccccc1C)C(C)C 71900072 BREMVUDAXSXARA-OAHLLOKOSA-N 249.354 2.797 0 40 BFAB CCCNCc1cc(-c2cccs2)nn1C 72226269 MVFBBGIAOAFUIO-UHFFFAOYSA-N 235.356 2.648 0 40 BFAB O=c1cc[nH]c2c(F)cc(C(F)(F)F)cc12 72319647 YQCQZKJDWDFKBC-UHFFFAOYSA-N 231.148 2.686 0 40 BFAB Cc1cnc(Nc2ccccc2F)c(N)c1 75627585 AUVKTMLIVAZGIE-UHFFFAOYSA-N 217.247 2.855 0 40 BFAB CS[C@@H]1CC[C@H](Nc2nc(C)ns2)C1 78476835 HZBZAWXVXFZGFG-JGVFFNPUSA-N 229.374 2.543 0 40 BFAB Cc1[nH]ccc1C(=O)N1CC[C@@H]2CCCC[C@H]21 89536751 BZXOJSJAJABOGG-WCQYABFASA-N 232.327 2.728 0 40 BFAB C[C@@H](NC(=O)N(C)C)c1ccc(Cl)cc1 95469919 AJNIJKSTNIFMFN-MRVPVSSYSA-N 226.707 2.672 0 40 BFAB COC(=O)c1oc(CN[C@@H](C)C(C)C)cc1C 95986379 GXZKRYCNCYQKDK-JTQLQIEISA-N 239.315 2.509 0 40 BFAB CCN1Cc2nc3ccccc3c(C)c2C1=O 96026322 YLPILQVEZGKANO-UHFFFAOYSA-N 226.279 2.519 0 40 BFAB Cc1ccc(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)nc1 102584196 PDDLHYIRLMYPHK-SRVKXCTJSA-N 230.311 2.765 0 40 BFAB NC(=O)NC1CCC2(CCCCC2)CC1 195577246 RHVOAFUJERVUKL-UHFFFAOYSA-N 210.321 2.548 0 40 BFAB CC(=O)c1ccc(N)c(C)c1Br 199543962 WLXARIPZHFVEOH-UHFFFAOYSA-N 228.089 2.542 0 40 BFAB Cc1cccc(-c2noc(-c3cnco3)n2)c1 216617091 DKIYHLQPNSMUJZ-UHFFFAOYSA-N 227.223 2.700 0 40 BFAB Cc1ccc(F)cc1C1(CN)CCCC1 258025631 DYLUQTYGIBHHLM-UHFFFAOYSA-N 207.292 2.905 0 40 BFAB CC[C@]1(C)CCCN(Cc2snnc2C)C1 569367760 NQAZWABXMLJAIS-GFCCVEGCSA-N 239.388 2.859 0 40 BFAB Cc1cc(OCC2CC(F)(F)C2)nc(C)n1 585650677 FBAUFXFCDXKKIB-UHFFFAOYSA-N 228.242 2.518 0 40 BFAB CCc1[nH]c2cccc(O)c2c(=O)c1C(C)C 685938221 GLTRHFCEMNHSFP-UHFFFAOYSA-N 231.295 2.920 0 40 BFAB CC(C)N(C)C(=O)[C@@]1(c2ccccc2)CCCO1 929922773 RNVOWZXRYQZMRU-HNNXBMFYSA-N 247.338 2.559 0 40 BFAB COc1ccc(NCc2ccccn2)cc1 157673 VZYUNDIQWDHYLW-UHFFFAOYSA-N 214.268 2.702 0 40 BFAB CCOC(=O)[C@@H]1CC=CC[C@@H]1c1cccnc1 165733 ATAHZGDGVWUBCW-CHWSQXEVSA-N 231.295 2.695 0 40 BFAB COc1cc2c(cc1O)[C@@H](CC(C)C)N(C)CC2 898698 GEHUGSUAESFIIV-CYBMUJFWSA-N 249.354 2.976 0 40 BFAB biogenic,in-vitro Cc1ccc([C@@H]2N[C@@H]2C(=O)c2ccccc2)cc1 1557521 JGTSFRSZLJAAST-GJZGRUSLSA-N 237.302 2.891 0 40 BFAB O=C1C=CC[C@H](/C=C/c2ccccc2)O1 1686158 RLGHFVLWYYVMQZ-BZYZDCJZSA-N 200.237 2.572 0 40 BFAB biogenic,in-vitro O=C(O)[C@@H]1CC=CC[C@@H]1c1ccccc1 1702308 KVZGDUKDAJKXOF-VXGBXAGGSA-N 202.253 2.821 0 40 BFAB OCc1ccccc1SC(F)(F)F 2560229 IZKPDCFEJFNLJD-UHFFFAOYSA-N 208.204 2.791 0 40 BFAB in-vitro CCOC(=O)COc1cc(Cl)ccc1Cl 2783151 HVNBLATYAZPASX-UHFFFAOYSA-N 249.093 2.935 0 40 BFAB CCC/C=C/C(=O)NCc1ccc(OC)cc1 3423580 MTZZOZYPXYQYJY-AATRIKPKSA-N 233.311 2.668 0 40 BFAB C[C@@H](CCc1ccccc1)NC(=O)[C@H]1C[C@H]1C 5696396 ODKGPKDUWUIWBK-DYEKYZERSA-N 231.339 2.780 0 40 BFAB CC[C@@H](C)C(=O)Nc1nc2c(s1)CCC2 6390782 OIQYKQZAEZVCCS-SSDOTTSWSA-N 224.329 2.616 0 40 BFAB CCCNC(=S)NCc1ccccc1Cl 7571280 PDXWDGNKQVYUSG-UHFFFAOYSA-N 242.775 2.714 0 40 BFAB CCCn1cc(C[C@@H](C)N)c2ccc(OC)cc21 8993607 GWPLSURXWIWLPI-LLVKDONJSA-N 246.354 2.950 0 40 BFAB CC(=O)c1c(C(F)(F)C(F)(F)F)n[nH]c1C 9244117 JPSLTTUBSIQNSA-UHFFFAOYSA-N 242.147 2.575 0 40 BFAB CC(C)C(=O)Nc1cc(C(=O)O)ccc1Cl 13167542 ZHYVCXJYOUSYTF-UHFFFAOYSA-N 241.674 2.633 0 40 BFAB O=Cc1ccc(-c2cccnc2Cl)o1 13534018 UXESJFWGTPOPSY-UHFFFAOYSA-N 207.616 2.808 0 40 BFAB CC(C)C[C@@H](N)c1nc2ccccc2n1C 19734954 SGSHVKLMBDWCDI-SNVBAGLBSA-N 217.316 2.619 0 40 BFAB C[C@@H]1CCCN(c2ccc(N)cc2F)C1 20135720 WOKGGVUHTIXNEK-SECBINFHSA-N 208.280 2.644 0 40 BFAB C1=CC(c2ccccc2)=N[C@@H]2CCCC[C@H]2N1 20153851 VVUDASVFKRRYKL-HUUCEWRRSA-N 226.323 2.904 0 40 BFAB CC(C)(C)[C@H]1CCCC[C@@H]1NCCCO 20187809 DLNQVQMDNGVXLU-RYUDHWBXSA-N 213.365 2.563 0 40 BFAB CCc1ccc(C(=O)NC(C2CC2)C2CC2)o1 25093683 HCFLUTDXLLVJTR-UHFFFAOYSA-N 233.311 2.760 0 40 BFAB O=Cc1c[nH]c2ccc(OC(F)(F)F)cc12 26894173 ARTKLTJGFSFCIC-UHFFFAOYSA-N 229.157 2.879 0 40 BFAB CC(=O)Nc1ccc(OCc2cc(C)no2)cc1 31076878 OBNOYHDOGOEOIU-UHFFFAOYSA-N 246.266 2.520 0 40 BFAB CC[C@@H](C)NC(=O)c1cc(-c2cccs2)[nH]n1 32610903 WJKSUDOVFPGBAF-MRVPVSSYSA-N 249.339 2.667 0 40 BFAB CN(Cc1ccco1)C(=O)[C@@H]1CC=CCC1 32820574 KXQIAIKSVJSWGG-LLVKDONJSA-N 219.284 2.594 0 40 BFAB CSc1c(Cl)cccc1C(=O)O 38523926 WIDAETORFHBGDW-UHFFFAOYSA-N 202.662 2.760 0 40 BFAB Cc1ccc(C(=O)NC(C2CC2)C2CC2)s1 40489242 OHVYNNKXIMVKOL-UHFFFAOYSA-N 235.352 2.975 0 40 BFAB Cc1ccc(CNC(=O)CC(F)(F)F)cc1 40490337 NUSCPTJDNXKGAU-UHFFFAOYSA-N 231.217 2.564 0 40 BFAB COC(=O)c1c(C(F)(F)F)ccnc1Cl 40566638 FDASGHWJBUNFFL-UHFFFAOYSA-N 239.580 2.540 0 40 BFAB CCCCNc1ccc(N)cc1C(=O)OCC 41080617 UYOZNMLHKAACGW-UHFFFAOYSA-N 236.315 2.658 0 40 BFAB COc1ccc(-c2nc(C(C)C)n[nH]2)cc1OC 41161000 NPVDWZLYERCZQI-UHFFFAOYSA-N 247.298 2.612 0 40 BFAB CC[C@H](N)c1ccccc1Br 43560752 XXWZAEMBXBIREN-VIFPVBQESA-N 214.106 2.859 0 40 BFAB CC(C)CNC(=O)CSCc1cccs1 44867940 PEFZYYNQDHVGIM-UHFFFAOYSA-N 243.397 2.754 0 40 BFAB Cc1cc(NC(=O)N[C@@H](C)c2ccc(C)o2)no1 44889868 LPPUBEMVYSAJPZ-VIFPVBQESA-N 249.270 2.767 0 40 BFAB NC(=O)CSc1ccc(-c2ccccc2)cc1 48601651 ZOAUAWJBOQGDRZ-UHFFFAOYSA-N 243.331 2.931 0 40 BFAB CC(C)[C@H](C)NC(=O)CSc1ccccc1 49535680 INSVKYCALSWULK-NSHDSACASA-N 237.368 2.939 0 40 BFAB NCc1cc(-c2ccc(C(F)(F)F)cc2)n[nH]1 50478869 IVCNJNIDEVYJIK-UHFFFAOYSA-N 241.216 2.554 0 40 BFAB CCN(CC)C(=O)NCc1cc2ccccc2[nH]1 57643897 XCRURHKFDRRWGJ-UHFFFAOYSA-N 245.326 2.719 0 40 BFAB CC(C)(C)n1[nH]c2ccc(Cl)cc2c1=O 67341858 RVGZOKDYHXIBBK-UHFFFAOYSA-N 224.691 2.738 0 40 BFAB C[C@H](CC(=O)Nc1ccccc1)[C@@H]1CCCCN1 72208225 QELAURNVUVCCQN-OCCSQVGLSA-N 246.354 2.793 0 40 BFAB C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Nc1cn[nH]c1 72289027 XZPJHYVGRPNBKF-SCVCMEIPSA-N 248.330 2.595 0 40 BFAB Cc1ccc(C(=O)O[C@@H](C)c2ccccn2)o1 73531797 ZRKXZNSXVWAMQK-JTQLQIEISA-N 231.251 2.901 0 40 BFAB Cc1ccc(CNc2nncs2)cc1C 83349944 NBPBZMIIUDANGC-UHFFFAOYSA-N 219.313 2.767 0 40 BFAB CCOC(=O)c1coc(-c2cccc(C)c2)n1 90470915 UOLQCERAFZIHJD-UHFFFAOYSA-N 231.251 2.827 0 40 BFAB C[C@H](Cc1ccc(O)cc1)NC(=O)CC(C)(C)C 95427628 UBIGPAYCQXHSJB-LLVKDONJSA-N 249.354 2.876 0 40 BFAB CCOC(=O)c1cccc(OC)c1Cl 95916005 AJAFGEBPAYWFNY-UHFFFAOYSA-N 214.648 2.525 0 40 BFAB COc1cc2c(C)c(C(=O)O)[nH]c2cc1Cl 96029592 WZJUHTYESGBOJY-UHFFFAOYSA-N 239.658 2.837 0 40 BFAB in-vitro CC1=CCC[C@H](C)[C@@H]1CNCCc1nccn1C 97098948 KSDLLYUGTCHCJN-UONOGXRCSA-N 247.386 2.545 0 40 BFAB C[C@H](NC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2)C(C)(C)C 102758812 QAQHFAXTYBYZJM-FIQHERPVSA-N 221.344 2.749 0 40 BFAB O=C(Cl)Cc1ccc(Br)s1 148233013 SZUWDICEXLUJQU-UHFFFAOYSA-N 239.521 2.819 0 40 BFAB CC[C@@H](C)C(=O)c1cccc(N(C)C)c1 161458246 JHSYAXSSULPXAQ-SNVBAGLBSA-N 205.301 2.981 0 40 BFAB CCc1ccc(N(CC)[C@@H](CC)C(=O)O)cc1 224985253 CSRZWLMKQVMINV-ZDUSSCGKSA-N 235.327 2.939 0 40 BFAB CCc1ccccc1C(=O)C(C)(C)OC(C)=O 575357259 AIVCZQJICAHPMJ-UHFFFAOYSA-N 234.295 2.773 0 40 BFAB Nc1ccc(-n2ccc(C(F)F)n2)c(F)c1 685936615 KZEBUSCSBYUTKL-UHFFFAOYSA-N 227.189 2.531 0 40 BFAB CCCn1cc(Cl)c(Br)n1 953018080 VWNLZKWTNCWRGZ-UHFFFAOYSA-N 223.501 2.709 0 40 BFAB Cc1c2c(nn1-c1nccnc1Cl)CCCC2 1888990277 AMOJFJJALOONHR-UHFFFAOYSA-N 248.717 2.503 0 40 BFAB CC[C@@H](C)C(=O)Nc1cccnc1Cl 365460 JBDGVJOEMJVTPU-SSDOTTSWSA-N 212.680 2.720 0 40 BFAB O=C(OC[C@@H]1CCCO1)c1ccc(Cl)cc1 4411373 UUMZJIAEAMIRGA-NSHDSACASA-N 240.686 2.676 0 40 BFAB C[C@@H]1Cc2cc(-c3csc(N)n3)ccc2O1 4973356 WEPCMOGXKOWFIS-SSDOTTSWSA-N 232.308 2.716 0 40 BFAB CSCC(=O)Nc1ccc(Cl)cc1C 12976309 GOXXBNPJNXXQJJ-UHFFFAOYSA-N 229.732 2.950 0 40 BFAB COc1cccc(CNc2ccccn2)c1 19777000 SPHXORLAPQBETA-UHFFFAOYSA-N 214.268 2.702 0 40 BFAB Fc1ccc(NCc2ccccn2)cc1 19942496 WWLAZFLOFFVANE-UHFFFAOYSA-N 202.232 2.833 0 40 BFAB in-vitro CC(C)CC(=O)N[C@H](C)c1ccc2c(c1)OCO2 28305255 PWOAIUSDQIMNNB-SNVBAGLBSA-N 249.310 2.639 0 40 BFAB c1ccc(C2=N[C@H](C3CCCCC3)CO2)nc1 34275669 UDMCHJFTOGLLHO-ZDUSSCGKSA-N 230.311 2.807 0 40 BFAB CCOC(=O)c1ccc(-c2cnccc2C)o1 45028411 CJWHPFZOVILMRY-UHFFFAOYSA-N 231.251 2.827 0 40 BFAB in-vitro C[C@@]12CC3CC(n4cnnc4)(C1)C[C@](C)(C3)C2 45958040 KMONTHDUDIDOBV-AKJUYKBHSA-N 231.343 2.984 0 40 BFAB O=c1[nH]c(-c2ccccc2)nc2ccc(F)cc12 48606607 YBGVJFZTKPJHFV-UHFFFAOYSA-N 240.237 2.729 0 40 BFAB CC1(C)CN(c2ccc(Cl)cc2)CCN1 58444177 QYCRGPBLOHCYNR-UHFFFAOYSA-N 224.735 2.528 0 40 BFAB in-vitro OC[C@H]1C[C@@H]1c1ccccc1Br 62720229 ZPRZKFTVHGLWGC-APPZFPTMSA-N 227.101 2.545 0 40 BFAB CC[C@H](C)C(=O)N[C@H](C)Cc1cccs1 69413860 HVRGWWISBYQUMV-VHSXEESVSA-N 225.357 2.841 0 40 BFAB CC(C)CNc1ccc([C@@H]2CCCN2)cn1 72213296 RWUGJSBMOJGCMQ-LBPRGKRZSA-N 219.332 2.574 0 40 BFAB CCc1ccc(-c2cnc(C=O)o2)cc1 72219827 VUHJERCCZPACET-UHFFFAOYSA-N 201.225 2.717 0 40 BFAB Cc1cc(OCc2ccccc2)ncc1C(=O)O 72223417 PSAKYQMRVAUZJI-UHFFFAOYSA-N 243.262 2.667 0 40 BFAB CC(C)(C)c1ccc([C@@H]2CC(=O)N2)cc1 72228429 RLZBTSWVKFJDOE-NSHDSACASA-N 203.285 2.545 0 40 BFAB NCc1cn(-c2ccc(Cl)c(Cl)c2)cn1 82550304 ZECLHFIAYLJFBA-UHFFFAOYSA-N 242.109 2.638 0 40 BFAB Cc1ccccc1C(=O)N[C@@H](C)Cc1ccoc1 84827365 LZCMJBGHVLXVBH-LBPRGKRZSA-N 243.306 2.949 0 40 BFAB CCC[C@](C)(O)c1ccc(OC)c(OC)c1 86336454 KONVKNOJGWMISK-ZDUSSCGKSA-N 224.300 2.711 0 40 BFAB CC(C)(C)n1cc(NCc2cscn2)cn1 90198993 FBENDQWRMLLSEB-UHFFFAOYSA-N 236.344 2.707 0 40 BFAB c1ccc([C@H]2COC(c3ccccn3)=N2)cc1 90751539 FGWZWSGZIWCUFZ-CYBMUJFWSA-N 224.263 2.600 0 40 BFAB Cc1cc(F)cc(C(=O)C[C@@H](C)CC(=O)O)c1 95634349 UQOKCHXVJAEOAA-SECBINFHSA-N 238.258 2.818 0 40 BFAB O=C(O)Cn1c(C2CCC2)nc2ccc(F)cc21 98213756 LPSIMPKEBDSLTL-UHFFFAOYSA-N 248.257 2.528 0 40 BFAB CC(C)(C)OC(=O)/C=C(\O)C(C)(C)C 100645421 GNSVMQZBRKAEAW-FPLPWBNLSA-N 200.278 2.816 0 40 BFAB CN(C)CCO[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 102899366 FFSUJINLERSHGM-YRGRVCCFSA-N 225.376 2.779 0 40 BFAB CC[C@H](N[C@@H](COC)C(C)C)c1ccncc1 163761869 URFPPOOJLSCYSW-KBPBESRZSA-N 236.359 2.793 0 40 BFAB CCc1ccc(N[C@H]2CCCC[C@@H]2N)cc1 218863103 KCDCPEUDJGVRJN-KBPBESRZSA-N 218.344 2.931 0 40 BFAB COC(=O)c1ccc(Cn2cccc2C)cc1 226032291 LVEKGKXROYAZHA-UHFFFAOYSA-N 229.279 2.631 0 40 BFAB COc1ccc(C(=O)CCSC)cc1C 259302231 WWGNJVBAECCELX-UHFFFAOYSA-N 224.325 2.939 0 40 BFAB Oc1cccc(OCC(F)(F)C(F)F)c1 308598391 ACXPZOFDZHTPKG-UHFFFAOYSA-N 224.153 2.671 0 40 BFAB COc1cc(C(=O)C2CCC2)cc(F)c1F 382673315 GAYHBDGUYRRWCX-UHFFFAOYSA-N 226.222 2.956 0 40 BFAB C1CCC(Oc2nnc(C3CC3)s2)C1 585650798 FMMOPTMEIUBWQV-UHFFFAOYSA-N 210.302 2.737 0 40 BFAB CC[C@@H](O)c1ccc(N)cc1C(F)(F)F 585672999 XXZGMPLPDPOPQH-SECBINFHSA-N 219.206 2.731 0 40 BFAB Cc1ccc(OC(=O)c2cccc(C)c2)nc1 363153 HSAATDPVSGZIMU-UHFFFAOYSA-N 227.263 2.918 0 40 BFAB CC(C)[C@@H](CCN1C(=O)CCC1=O)c1ccco1 489316 YVFGGOUYIUZARZ-LLVKDONJSA-N 249.310 2.558 0 40 BFAB biogenic CCOC(=O)c1cc(-c2cccs2)no1 508299 LMXQQXUDABZEKR-UHFFFAOYSA-N 223.253 2.580 0 40 BFAB CC[C@@](O)(c1ccccc1)c1ccccn1 1620959 WZNNOTSNAIGFJA-CQSZACIVSA-N 213.280 2.728 0 40 BFAB Cc1ccc(-c2cc(-c3ccco3)nc(N)n2)o1 1635254 LIARQZAKYQMYJV-UHFFFAOYSA-N 241.250 2.887 0 40 BFAB CC(=O)CC(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 5809894 QSVQIPXQOCAWHP-RAIGVLPGSA-N 240.343 2.970 0 40 BFAB biogenic COc1ccc(CNCCCOC(C)C)cc1 6603005 HXGCSGNNEADLOZ-UHFFFAOYSA-N 237.343 2.600 0 40 BFAB C[C@H]1CCC[C@H](C)N1NC(=O)Nc1ccccc1 6853245 KVKGVVPJAWATOO-RYUDHWBXSA-N 247.342 2.986 0 40 BFAB Cc1ccc(C(=O)CNC(=O)OC(C)(C)C)cc1 12357078 IIDSANGRQVUKNI-UHFFFAOYSA-N 249.310 2.702 0 40 BFAB CN(Cc1ccc(F)cc1)C(=O)c1ccco1 12979442 OTNMSXMPRGUZGK-UHFFFAOYSA-N 233.242 2.691 0 40 BFAB CC(=O)c1nccc2c1[nH]c1cc(O)ccc12 13306355 BCFQSKMCVGWWPK-UHFFFAOYSA-N 226.235 2.624 0 40 BFAB biogenic,in-vitro C[C@@H]1Oc2c(c(=O)c3ccccc3n2C)C1(C)C 14515586 QLPMLMDURILOQO-VIFPVBQESA-N 243.306 2.597 0 40 BFAB biogenic CCSc1nc(C)c(CCC(C)C)c(=O)[nH]1 16844513 RGXRTUUONHDEOW-UHFFFAOYSA-N 240.372 2.779 0 40 BFAB Clc1cccc(-c2onc3c2CNCC3)c1 19723234 KQHQUTTWMYPKEL-UHFFFAOYSA-N 234.686 2.641 0 40 BFAB COc1ccc(Sc2ccc(N)cn2)cc1 19845579 TUSQFWHRJUNOHC-UHFFFAOYSA-N 232.308 2.824 0 40 BFAB c1cc(CNCCCN2CCCCC2)cs1 20128736 CMYICNZMORFYGZ-UHFFFAOYSA-N 238.400 2.714 0 40 BFAB Cc1cc(N)cc2nc(-c3cccnc3)oc12 20352367 LVGYOWBEXQGZDH-UHFFFAOYSA-N 225.251 2.780 0 40 BFAB CCOC(=O)CC(=O)c1ccc(F)c(Cl)c1 20475443 KUOACPMHJWOZNC-UHFFFAOYSA-N 244.649 2.615 0 40 BFAB O=C(Nc1ccccc1O)C1CCCC1 21866422 FCFMUJOOHHQTQD-UHFFFAOYSA-N 205.257 2.521 0 40 BFAB COCC(=O)N[C@@H](C)c1cccc2ccccc12 24063286 MNEVTZUUKNPCJD-NSHDSACASA-N 243.306 2.663 0 40 BFAB O=C(Nc1nc(C2CC2)cs1)c1ccoc1 25562668 CDFMVMDCZRHFPF-UHFFFAOYSA-N 234.280 2.866 0 40 BFAB CCCCNC(=O)c1cn[nH]c1-c1ccccc1 29002188 KNCVVUBQLSDOIC-UHFFFAOYSA-N 243.310 2.607 0 40 BFAB Fc1ccc(OCC[C@@H]2CCCCN2)cc1F 36749999 XVYKVASWEYQDJR-JTQLQIEISA-N 241.281 2.876 0 40 BFAB CC(C)(N)Cc1cccc(Br)c1 37246947 VUJANHVNFQTFTH-UHFFFAOYSA-N 228.133 2.729 0 40 BFAB in-vitro CCc1nnc(CSc2ccc(O)cc2)o1 38078940 CXJUKBXKCKDVSM-UHFFFAOYSA-N 236.296 2.630 0 40 BFAB CCOc1ccccc1[C@H](CN)N1CCCCC1 38827641 LOXXZSDJVWKOOL-AWEZNQCLSA-N 248.370 2.571 0 40 BFAB C[C@@H]1CCCC[C@@H]1N(C)C(=O)C1CCC1 40497945 MCYBJECHWLBUNT-PWSUYJOCSA-N 209.333 2.824 0 40 BFAB CCOC(=O)c1sc2ccsc2c1CN 58037944 VVJSRWIIPYTVHH-UHFFFAOYSA-N 241.337 2.598 0 40 BFAB in-vitro Clc1ccc2[nH]nc(C3CCNCC3)c2c1 71257576 ZTCLJURAOORRNW-UHFFFAOYSA-N 235.718 2.683 0 40 BFAB Cc1cc(COc2ccc(F)c(F)c2)no1 71850897 AKTMKDIHSWGJHK-UHFFFAOYSA-N 225.194 2.840 0 40 BFAB Cc1cccc(C)c1C(=O)NCc1ccco1 71916433 UQGMSDIOEPDATL-UHFFFAOYSA-N 229.279 2.826 0 40 BFAB CCN1CCC[C@H]1c1ccc(N(C)C)nc1C 72218732 BEKOXTWNHIBRFW-ZDUSSCGKSA-N 233.359 2.613 0 40 BFAB Cc1cc([C@H]2CCCN2)cnc1N1CCCCC1 72219143 UINTUGLIGBYMIC-CQSZACIVSA-N 245.370 2.805 0 40 BFAB Cc1cc(N(C)C)ncc1[C@@H](N)c1ccccc1 72223115 MUOWCRVKJQPTON-HNNXBMFYSA-N 241.338 2.504 0 40 BFAB CC[C@@H](N)c1ccc(N2CCCCC2)nc1C 72224553 NGWAKMAFOBFIME-CYBMUJFWSA-N 233.359 2.790 0 40 BFAB Cc1cc(CC(=O)O)c(F)cc1C(F)(F)F 91252092 SCCXDMHIISSUCO-UHFFFAOYSA-N 236.164 2.780 0 40 BFAB CC(C)(O)c1cc(F)ccc1Br 95616707 DXOUJUXXPOBYPX-UHFFFAOYSA-N 233.080 2.816 0 40 BFAB CCCc1nccn1Cc1cccc(OCC)n1 97371772 GOUBYHCNTFXRHX-UHFFFAOYSA-N 245.326 2.678 0 40 BFAB COc1ccc(-n2cccc2CCC(=O)O)cc1 223752419 HCRVUZZLFWRBRC-UHFFFAOYSA-N 245.278 2.503 0 40 BFAB C[C@H]1CN(CCCCCF)C(C)(C)CO1 225468019 WXCWKAPGKRXFCN-NSHDSACASA-N 217.328 2.626 0 40 BFAB Cc1c(C)c(C)c(C2CNC2)c(C)c1C 238494896 IGGQGGXKQNKVEG-UHFFFAOYSA-N 203.329 2.916 0 40 BFAB COC(=O)[C@H](F)c1ccc(Cl)cc1 257903361 WBYZDWWQWYDDKZ-MRVPVSSYSA-N 202.612 2.524 0 40 BFAB CC(C)(C)C(=O)NC1CCC(F)(F)CC1 334143092 PPTYSMAMWGFWTE-UHFFFAOYSA-N 219.275 2.727 0 40 BFAB CC(C)Oc1c(F)cc(C(=O)O)cc1Cl 642814597 MGXFMMUCCXVXBN-UHFFFAOYSA-N 232.638 2.965 0 40 BFAB C(=C/c1cnc(N2CCC2)nc1)\c1ccccc1 1239593639 GHAQTVRJAYHOJE-BQYQJAHWSA-N 237.306 2.857 0 40 BFAB CCOc1cc(=O)oc2ccc(C)cc12 57839 UWYBUCACTOISFA-UHFFFAOYSA-N 204.225 2.500 0 40 BFAB biogenic O=C(OCc1cc(F)cc(F)c1)C1CCC1 165545 CTPXRHCAPYKLGS-UHFFFAOYSA-N 226.222 2.808 0 40 BFAB Cc1cccc(NC(=O)c2ccccn2)c1 362818 FMMFCTWJMMVVOD-UHFFFAOYSA-N 212.252 2.642 0 40 BFAB COC(=O)c1ccccc1-c1ccc(N)cc1 1259548 JOJMMXSADKEKPE-UHFFFAOYSA-N 227.263 2.722 0 40 BFAB C[C@@H](N[C@H]1CCCC[C@@H]1O)c1ccccc1 1613131 NYCFBNYPXMBDES-XBFCOCLRSA-N 219.328 2.641 0 40 BFAB CCCCCOC[C@H](O)c1ccccc1 1697033 ZVWXUACKKYVFMA-ZDUSSCGKSA-N 208.301 2.927 0 40 BFAB O=C(O)CCC(=O)c1cccc(C(F)(F)F)c1 2579909 GLNOAEGCWGDNDG-UHFFFAOYSA-N 246.184 2.753 0 40 BFAB Cc1cccc(C)c1CCc1c[nH]cn1 5116308 WRAZSLKGTVFTSN-UHFFFAOYSA-N 200.285 2.812 0 40 BFAB in-vitro CCCc1nn(-c2ccccc2)c(=S)[nH]1 5408313 QVHICENAWUSQBT-UHFFFAOYSA-N 219.313 2.882 0 40 BFAB COc1cc(-c2cccn2C)c(SC)n1C 5749019 LRKDGJJLEFVNTF-UHFFFAOYSA-N 236.340 2.761 0 40 BFAB CCCCO[C@@H](CN)C(Cl)(Cl)Cl 5973698 HQXRUYRXQCYBEV-LURJTMIESA-N 234.554 2.501 0 40 BFAB O=C(c1ccoc1)N1CCc2sccc2C1 12216382 WTZLNOFGTXXNAG-UHFFFAOYSA-N 233.292 2.540 0 40 BFAB O=C([C@@H]1CC=CCC1)N1CCc2sccc2C1 12553558 WWKUGXKWNFCBJZ-LLVKDONJSA-N 247.363 2.989 0 40 BFAB Cc1cc(OC[C@@H]2CCCCO2)ccc1N 14630795 XESSDOSKPBDTPW-LBPRGKRZSA-N 221.300 2.525 0 40 BFAB CCCCSc1nc(C)c(CC(=O)O)s1 19812744 ZUPAWHDCSFYLPH-UHFFFAOYSA-N 245.369 2.971 0 40 BFAB CC(C)CNC(=O)c1cccc(-n2cccc2)c1 20901414 HHPGNVGHJQEALH-UHFFFAOYSA-N 242.322 2.863 0 40 BFAB Cc1ccc(C(=O)N[C@@H](C)c2ccc(C)o2)cn1 32898797 RHHLZCSLLGTNMG-NSHDSACASA-N 244.294 2.782 0 40 BFAB CN(Cc1ccc(F)cc1)C(=O)C1CCC1 32967354 VPFVVDNZHPTGSC-UHFFFAOYSA-N 221.275 2.584 0 40 BFAB C[C@@H](NC(=O)c1ccco1)c1ccccc1F 32983389 LTBNMJBHXRHYED-SECBINFHSA-N 233.242 2.910 0 40 BFAB CCC(=O)c1ccc(OCC(F)F)cc1 37755991 SHRPIHDZKJGNNK-UHFFFAOYSA-N 214.211 2.923 0 40 BFAB O=C(NC1(c2ccc(F)cc2)CC1)c1ccco1 41564693 SOEIVPAEVJUYBB-UHFFFAOYSA-N 245.253 2.838 0 40 BFAB CCCOc1ccc2c(c1)CCCC2=O 44745886 LRRITBCPLWHQMD-UHFFFAOYSA-N 204.269 2.994 0 40 BFAB COC[C@H](C)NC1CCC(C(C)C)CC1 54554377 JKUDMSYCRMYLNH-HIFPTAJRSA-N 213.365 2.826 0 40 BFAB CCNC(=O)N[C@H](C)CCCC(C)C 57580756 QTIVSPBTMSDGNE-SNVBAGLBSA-N 200.326 2.520 0 40 BFAB CCCCC[C@@H](C)NC(=O)NCCC 57580925 YLFNTOSQULNSBW-SNVBAGLBSA-N 200.326 2.664 0 40 BFAB CC(C)n1cc(NCc2ccco2)cn1 61682464 UPLOVHOHVLGNCN-UHFFFAOYSA-N 205.261 2.669 0 40 BFAB CCCN1CCC[C@H]1c1cccnc1OC 72211723 AGVAVZBTHHYFTQ-LBPRGKRZSA-N 220.316 2.637 0 40 BFAB CCc1ccc(NC(=O)CN2CCC[C@@H]2C)cc1 72293093 SFCYARFLJWIGOO-LBPRGKRZSA-N 246.354 2.672 0 40 BFAB c1cnc([C@H]2CCCN(C3CCCCC3)C2)cn1 72356836 KRPZWHPSIRBIAS-ZDUSSCGKSA-N 245.370 2.989 0 40 BFAB C[C@H](CCc1cccn1C)Nc1ccccn1 78423489 PBCJZTIZFGGTTH-GFCCVEGCSA-N 229.327 2.853 0 40 BFAB Fc1cccc(-c2cnc(Cn3cccn3)o2)c1 85263852 YKIGGOKDFQOPRX-UHFFFAOYSA-N 243.241 2.726 0 40 BFAB OCCOC1CCC(c2ccccc2)CC1 85391945 XOWRASMFDWZJBK-UHFFFAOYSA-N 220.312 2.722 0 40 BFAB C[C@@H]1CCCN(C(=O)C2CC=CC2)CC1 89929856 VOIVYXITHSRMIW-LLVKDONJSA-N 207.317 2.601 0 40 BFAB c1ccc(CCN2CCCSCC2)cc1 89980587 TZXZFPLTRAJGAS-UHFFFAOYSA-N 221.369 2.668 0 40 BFAB OCc1ccc(Cl)cc1OC(F)(F)F 91251985 DAXPTNWTUUAZSS-UHFFFAOYSA-N 226.581 2.731 0 40 BFAB C[C@H]1CC(C)(C)CC[C@H]1NCc1nccn1C 93962623 FHRHXLUOAAJDBM-NWDGAFQWSA-N 235.375 2.725 0 40 BFAB C1CCC(CCN2CCN(C3CCC3)CC2)C1 96424269 SKLNRJONCFFXHA-UHFFFAOYSA-N 236.403 2.737 0 40 BFAB COCCNCc1cc(OC)c2ccccc2c1 96527831 CFXRUXNTENIVAG-UHFFFAOYSA-N 245.322 2.584 0 40 BFAB Cc1ncccc1CN(C)[C@H](C)c1ccncc1 97113698 TXTLUMJKZWBFLT-CYBMUJFWSA-N 241.338 2.978 0 40 BFAB c1cc([C@H]2CCCCN2Cc2cscn2)[nH]n1 205688135 GRFKCPGLTZEPHA-GFCCVEGCSA-N 248.355 2.593 0 40 BFAB CCCN(c1ccccc1F)[C@@H](CC)C(=O)O 224986915 BMKLSFIALCJBFD-NSHDSACASA-N 239.290 2.905 0 40 BFAB CCOC(=O)C[C@@H]1CCCC(F)(F)C1 260910730 GUAUOVMBHBHAKJ-QMMMGPOBSA-N 206.232 2.765 0 40 BFAB COc1c(F)cc(F)cc1C(=O)CCSC 382672352 ABOLONXNGLJXLB-UHFFFAOYSA-N 246.278 2.909 0 40 BFAB OCCSc1cc(F)cc(Cl)c1 604941646 RDPPYYVLFRHIKH-UHFFFAOYSA-N 206.669 2.564 0 40 BFAB Clc1cc(C[n+]2ccccc2)cc(Cl)n1 163059 PSUHEZVNLMIXPC-UHFFFAOYSA-N 240.113 2.724 0 40 BFAB CN(C)c1ccc(C(=O)N2CCCCCC2)cc1 284866 XHTHNECUVDQWAC-UHFFFAOYSA-N 246.354 2.769 0 40 BFAB O=C(O)[C@H]1CCC=C[C@H]1c1ccccc1 1702420 BGIMRFYLXRKZRA-RYUDHWBXSA-N 202.253 2.821 0 40 BFAB C[C@H]([C@H](O)c1cccc2ccccc12)N(C)C 1706282 LMLDSGFONOLDDP-ABAIWWIYSA-N 229.323 2.823 0 40 BFAB CC1(C)[C@@H]2CC[C@@](C)(O)[C@H]3CC[C@](C)(O)[C@H]3[C@@H]21 4104693 DWNPMJOWAWGIMM-DNNYSMPMSA-N 238.371 2.581 0 40 BFAB biogenic,in-vitro CC[C@H](C)NC(=O)c1cc2sccc2n1C 4971125 INXXOLQONCYCHT-QMMMGPOBSA-N 236.340 2.768 0 40 BFAB NC(=S)COc1ccc2ccccc2c1 5010859 SBHHJRSUWRCFGW-UHFFFAOYSA-N 217.293 2.505 0 40 BFAB Cc1ccc2c(c1)nc1sc(C)cc(=O)n12 5386016 GRKASTQCHDNZNX-UHFFFAOYSA-N 230.292 2.526 0 40 BFAB COCCNCc1c(Cl)cccc1Cl 8469017 QWCFZFMBJPEBSQ-UHFFFAOYSA-N 234.126 2.729 0 40 BFAB Cc1cc(NC(=O)c2ccc(C)c(F)c2)no1 9314066 GTOGAHKWCGMHTD-UHFFFAOYSA-N 234.230 2.683 0 40 BFAB C[C@H]1C[C@H]1c1ccc(/C=C2\SC(=O)NC2=O)o1 9869960 FSWLCORFLUTWKN-JQVGVLFISA-N 249.291 2.727 0 40 BFAB CCCCSc1nc2c(c(=O)[nH]1)CCCC2 11905556 YJVTWMHDJWNUCF-UHFFFAOYSA-N 238.356 2.541 0 40 BFAB Cc1cc(S[C@H](C)C(N)=O)nc2ccccc12 12528187 LDVJBERMMNXKPI-SECBINFHSA-N 246.335 2.509 0 40 BFAB Cc1ccc(C(=O)N[C@@H](C)c2cccs2)cn1 12981027 ZBZAKWFDNQQVJU-JTQLQIEISA-N 246.335 2.943 0 40 BFAB Cc1ccc(C(C)C)c(O[C@@H]2CCNC2)c1 14632207 OCXGGVWBPIZLFK-GFCCVEGCSA-N 219.328 2.859 0 40 BFAB in-vitro O=S(=O)(Nc1ccc(F)cc1)C1CCCC1 19075049 RBUAYATZGUNVQK-UHFFFAOYSA-N 243.303 2.510 0 40 BFAB NCCc1c[nH]c2cc(C(F)(F)F)ccc12 26894231 SSZQGYKPMCRTCS-UHFFFAOYSA-N 228.217 2.688 0 40 BFAB N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 33426920 JVTFJIMHNCNHEK-ZETCQYMHSA-N 231.126 2.531 0 40 BFAB in-vitro C[C@@H]1C[C@@H](C)CN(Cc2nnsc2Cl)C1 35164952 SFUIILRXKBXIQJ-HTQZYQBOSA-N 245.779 2.669 0 40 BFAB Oc1nc2c(Cl)cc(Br)cc2o1 41569058 FLBXKYXECIUMJE-UHFFFAOYSA-N 248.463 2.949 0 40 BFAB CS[C@@H](C)C(=O)N[C@@H](C)c1ccccc1C 42828801 WPRVRMDTLNMXSH-QWRGUYRKSA-N 237.368 2.924 0 40 BFAB CCOC(=O)Cc1ccc(F)cc1Cl 43503471 WHCOCHQFWUVTDJ-UHFFFAOYSA-N 216.639 2.585 0 40 BFAB O=C(O)Cc1c(F)cc(C(F)(F)F)cc1F 44374835 CPAPSVVKXIMNNC-UHFFFAOYSA-N 240.127 2.611 0 40 BFAB Cc1cc(CN(CCC(C)C)C2CC2)no1 45751787 ODUTWOWQYQWOGU-UHFFFAOYSA-N 222.332 2.994 0 40 BFAB C[C@H]1CCCCN1Cc1ccc(C(=O)O)s1 47474188 HOPDZUOXNPWGEI-VIFPVBQESA-N 239.340 2.821 0 40 BFAB NC1CCC(NCc2cccc(Cl)c2)CC1 51693621 IWBNDAIERBJJMR-UHFFFAOYSA-N 238.762 2.700 0 40 BFAB CC(C)(C)CC(C)(C)NC(=O)Cc1cccnc1 69846586 CGCZPMULBFXTHJ-UHFFFAOYSA-N 248.370 2.955 0 40 BFAB CCC(=O)NCCc1nc(C(C)(C)C)cs1 71847825 CWBOYRHVHGFRTB-UHFFFAOYSA-N 240.372 2.509 0 40 BFAB COc1ncccc1[C@H]1CCCN1C(C)C 72211720 ALQWFKHEULFBFN-GFCCVEGCSA-N 220.316 2.636 0 40 BFAB CCN(C)c1ncccc1C1=NCCCC1 72212787 VCWUKBPBWRKMMV-UHFFFAOYSA-N 217.316 2.511 0 40 BFAB Cc1cc(NC(C)(C)C)ncc1[C@H](C)O 72223971 OEDWFMHIWMEVNR-VIFPVBQESA-N 208.305 2.654 0 40 BFAB Oc1ccc(OCC(F)(F)C(F)(F)F)cc1 72265770 IUNDSRUKHYSGNI-UHFFFAOYSA-N 242.143 2.969 0 40 BFAB CCCCNC[C@@H]1CCCN2CCCC[C@@H]12 75847972 UQHMEAZLQPVXPC-KBPBESRZSA-N 224.392 2.641 0 40 BFAB COC(=O)c1cc(C)cc(Br)c1F 75914936 HVCJSUMMDPCARW-UHFFFAOYSA-N 247.063 2.683 0 40 BFAB CCOc1ccc(-c2cc[nH]c2C(=O)O)cc1 76030175 NROMRWWYYKCRSC-UHFFFAOYSA-N 231.251 2.779 0 40 BFAB Cc1cccc(CNc2cc(C)on2)c1 83343790 BEPDODQJIQPVKF-UHFFFAOYSA-N 202.257 2.904 0 40 BFAB CCCC[C@H](CC)C(=O)CC1OCCO1 85652316 PPQATRSRSKGKMI-JTQLQIEISA-N 214.305 2.535 0 40 BFAB CC[C@H](C)[C@@H](N)CN(C)CCc1ccccc1 88243048 CKSJPVOOZAFKCS-ZFWWWQNUSA-N 234.387 2.534 0 40 BFAB Cc1nc(C)n(CCCC2CCCC2)n1 89718022 OGDLBLDWXOOCTO-UHFFFAOYSA-N 207.321 2.865 0 40 BFAB O=C1Cc2cc(F)ccc2N1Cc1ccccc1 96026256 FNOFBBBIHFILOQ-UHFFFAOYSA-N 241.265 2.915 0 40 BFAB CCOC(=O)c1cnc(C(C)(C)C)nc1Cl 96311420 FSRHHSJEGYXWMX-UHFFFAOYSA-N 242.706 2.604 0 40 BFAB C[C@H]1CNCc2ccc(Br)cc21 96526135 NGKXMSWDWPWIML-ZETCQYMHSA-N 226.117 2.656 0 40 BFAB O=C(Cc1ccccc1)[C@@H](O)c1ccccc1 100000793 SSCJKWMZFNHATQ-HNNXBMFYSA-N 226.275 2.532 0 40 BFAB Oc1cc(-c2ccccc2)nn1-c1ccccn1 100139158 GHSRLQHTSTVQNM-UHFFFAOYSA-N 237.262 2.640 0 40 BFAB COc1ccc2c(c1)C1[C@@H]3[C@H]4C2[C@H]2[C@@H]([C@@H]12)[C@H]43 104952582 XLLZTEORNJNOQZ-STHFLVMSSA-N 210.276 2.628 0 40 BFAB C[C@H](Cc1ccco1)NC(=O)[C@@H]1C[C@H]2CC[C@H]1C2 105642967 NWDHQGZLEDTXGH-OWTLIXCDSA-N 247.338 2.763 0 40 BFAB O=C(NOCc1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2 105943115 NNZRHCKITALADD-IHRRRGAJSA-N 245.322 2.671 0 40 BFAB COC(=O)c1ccc(OCC2CC2)c(Cl)c1 116050634 APEPJDVCAWLUBI-UHFFFAOYSA-N 240.686 2.915 0 40 BFAB Cc1cc(CCNC(C)(C)C)ccc1O 139390759 NZVRVWRGZWEPRX-UHFFFAOYSA-N 207.317 2.631 0 40 BFAB in-vitro CCCCc1ccc(N(C)[C@@H](C)C(=O)O)cc1 141491711 RYFHVXLDAIKPNB-NSHDSACASA-N 235.327 2.939 0 40 BFAB CC(=O)c1cc(F)c(N)c(C(F)(F)F)c1 199544406 NSOMCIXSCYTSAH-UHFFFAOYSA-N 221.153 2.629 0 40 BFAB CCCCO[C@H](Cc1ccc(C)cc1)C(=O)O 225021696 VIGJHYPCZGPJQQ-CYBMUJFWSA-N 236.311 2.807 0 40 BFAB Cn1ncc2c(Cl)cc(C(F)F)nc21 225814487 KJPUSRKWSHZYFW-UHFFFAOYSA-N 217.606 2.559 0 40 BFAB Cc1ccc(C)c(SC2=NCCCN2)c1 226820255 NJYBQUBVURRGMI-UHFFFAOYSA-N 220.341 2.745 0 40 BFAB CCCn1cc(Cl)c(COC(C)C)n1 408715521 VGHDJYOCWHQNAC-UHFFFAOYSA-N 216.712 2.872 0 40 BFAB Cc1nc([C@]2(C)CCCN(C)C2)c2sccn12 585178935 YZZMWJYCDIPNLB-CYBMUJFWSA-N 249.383 2.688 0 40 BFAB Cc1c(C)c(C)c([C@H](N)CC(=O)O)c(C)c1C 2586107 QKHNAGYLRTZXJO-GFCCVEGCSA-N 235.327 2.703 0 40 BFAB Fc1ccc(NC2=NCCCS2)cc1 8729593 KMSORXKCHZKUFJ-UHFFFAOYSA-N 210.277 2.731 0 40 BFAB C[C@H](NC(=O)Nc1ccccc1)C1CC1 10109381 VBBOGUVAPQGDSX-VIFPVBQESA-N 204.273 2.607 0 40 BFAB Cc1ccccc1CC(=O)Nc1ncccc1C 12526666 JSCBFRZQECOQIF-UHFFFAOYSA-N 240.306 2.880 0 40 BFAB CCOc1ccc([C@@H](C)NC(=O)[C@H]2C[C@@H]2C)cc1 13329292 UPIVXKPPLYIXHK-WDMOLILDSA-N 247.338 2.919 0 40 BFAB Cc1cccc(OCCC2CCNCC2)c1 14632391 OKDWWXZPZMITTK-UHFFFAOYSA-N 219.328 2.764 0 40 BFAB Cc1ccccc1CC(=O)Nc1ccncc1 17585400 FICZWYOPHVHQOS-UHFFFAOYSA-N 226.279 2.571 0 40 BFAB O=C(O)CCCSc1ccc(F)cc1 19268407 KSIOAHCIEIQBOS-UHFFFAOYSA-N 214.261 2.783 0 40 BFAB Cc1ccccc1C(=O)Nc1cc(N)ccc1F 19736551 ILMWHMXUSMTJFB-UHFFFAOYSA-N 244.269 2.969 0 40 BFAB Cc1ccccc1-c1nnc(C2CCNCC2)o1 19780352 OMPKRJOZWLQXRP-UHFFFAOYSA-N 243.310 2.512 0 40 BFAB N[C@@H](c1cccnc1)c1cc2ccccc2o1 20592714 BIQHNLUUSFOCKK-AWEZNQCLSA-N 224.263 2.876 0 40 BFAB Cc1ccc(C(=O)NC2CCCCCC2)cn1 22409805 SYJSFHKDWMZCCP-UHFFFAOYSA-N 232.327 2.843 0 40 BFAB CCONC(=O)c1cccc(Cl)c1Cl 24834356 JYLNWEWJEZUBBG-UHFFFAOYSA-N 234.082 2.675 0 40 BFAB Cc1ccc(C)c(-c2nn(C)c(N)c2C)c1 34976141 RFHJUTNRFIEEAK-UHFFFAOYSA-N 215.300 2.595 0 40 BFAB Cc1nc2c(Cl)cccc2cc1C(=O)O 37638553 AHJBNECFHMRNSR-UHFFFAOYSA-N 221.643 2.895 0 40 BFAB in-vitro C[C@H](NN)c1cc(F)c(Cl)cc1Cl 37735087 ZEJXQFNYNNFHSR-BYPYZUCNSA-N 223.078 2.657 0 40 BFAB CCc1c(C)[nH]c2ccc(F)cc2c1=O 38005116 UWLNTYLWVICSDK-UHFFFAOYSA-N 205.232 2.538 0 40 BFAB Cc1cc(CCC(=O)O)cc(OC(F)(F)F)c1 38529744 LEZTWHDBDSJSTN-UHFFFAOYSA-N 248.200 2.911 0 40 BFAB Nc1ccc(SC(F)(F)F)cc1C(=O)O 40254066 OMAGCFCEHVTXGS-UHFFFAOYSA-N 237.202 2.579 0 40 BFAB CCc1cccc(NC(=O)N2CCO[C@@H](C)C2)c1 40526331 XIAALZRERZHFEF-NSHDSACASA-N 248.326 2.502 0 40 BFAB CC[C@@]1(c2ccc(Br)cc2)C[C@@H]1N 52126173 YQOFNSJFQSYKQC-QWRGUYRKSA-N 240.144 2.828 0 40 BFAB in-vitro Cc1noc(C)c1-c1cccc(C(=O)O)c1 65339727 IKHBCIWCIAFXCH-UHFFFAOYSA-N 217.224 2.657 0 40 BFAB CCn1cc(NC(=O)CCc2cccs2)cn1 65538430 OXIINBUBXXVALZ-UHFFFAOYSA-N 249.339 2.536 0 40 BFAB CC(C)NC(=O)[C@H](C)SC1CCCC1 69415460 PICAXYPDBNYYBI-VIFPVBQESA-N 215.362 2.575 0 40 BFAB O=C1c2cc(Br)ccc2CC12CC2 71489058 YKQLKKZITWDVFX-UHFFFAOYSA-N 237.096 2.968 0 40 BFAB COc1ccccc1[C@@H]1CCCCN1C(C)=O 72221494 OHHCZYRGQFTYOY-ZDUSSCGKSA-N 233.311 2.769 0 40 BFAB CSCc1cc(C(=O)O)sc1C 75772366 QIJGPJZVZPAKLS-UHFFFAOYSA-N 202.300 2.618 0 40 BFAB in-vitro Cc1cc(Br)c2cc[nH]c(=O)c2c1 82767346 YCUWCZSCZRCUHK-UHFFFAOYSA-N 238.084 2.599 0 40 BFAB O=C1CCC[C@H]1c1ccc(Br)cn1 85400031 RUQHKPCOGQETJJ-QMMMGPOBSA-N 240.100 2.681 0 40 BFAB O=C(O)[C@@H](Sc1ccncc1)c1ccccc1 94613700 YGUZSAIUUARYTB-LBPRGKRZSA-N 245.303 3.000 0 40 BFAB CN[C@@H]1CCCC[C@H]1N(C)Cc1ccccc1 95079713 QUQVXIHJGYMLCS-HUUCEWRRSA-N 232.371 2.649 0 40 BFAB CCCOc1cc(C(=O)O)cc(F)c1C 95095506 VXYOCYUJQMLGNR-UHFFFAOYSA-N 212.220 2.621 0 40 BFAB Cc1cccc(NCC[C@H](O)c2ccccc2)n1 97163339 BKHUEZVLWCKEBD-AWEZNQCLSA-N 242.322 2.926 0 40 BFAB Cc1nc2ccccc2n1C1C[C@@H]2CC[C@@H](C1)N2 100014226 BJGOIXDGNKKASK-RYUDHWBXSA-N 241.338 2.800 0 40 BFAB O=C1[C@@H]2CCCC2=NN1c1cccc(Cl)c1 103752515 ZHJFENNMPNDNBM-SNVBAGLBSA-N 234.686 2.843 0 40 BFAB Clc1onc2c1C[C@H]1[C@@H](C2)C1(Cl)Cl 219772403 HDKYAYCRFQZQFO-CRCLSJGQSA-N 238.501 2.847 0 40 BFAB COC(=O)c1cc(C)n(-c2ccccc2C)c1 223751321 YDYVVYUWKJFDDQ-UHFFFAOYSA-N 229.279 2.881 0 40 BFAB CCOC(=O)c1ccc(C(=O)C2CCC2)s1 261199615 XDNAFXHESZSLKE-UHFFFAOYSA-N 238.308 2.908 0 40 BFAB Cc1cccc(N(C(=O)O)C(C)(C)C)n1 1083802483 ZJCWJHYRWXLSJD-UHFFFAOYSA-N 208.261 2.673 0 40 BFAB CCC(CC)NC(=O)CCc1ccccc1 31800 NYVIDAFNUAKBFM-UHFFFAOYSA-N 219.328 2.924 0 40 BFAB CC(C)c1nc2ccccc2n1C[C@H](C)C(=O)O 316321 QUXGGGMURXCUCP-JTQLQIEISA-N 246.310 2.880 0 40 BFAB CC(C)N(C(C)C)P1OC[C@@H](C)O1 1560422 GSMHVHZJGLRSDI-CGCSKFHYSA-N 205.238 2.767 0 40 BFAB COC(=O)CCC(=O)c1cccc2ccccc12 1600596 YCDARDMYSRGGGV-UHFFFAOYSA-N 242.274 2.976 0 40 BFAB CCOC(=O)C1=C[C@]2(C)CC[C@H]1C2(C)C 3846336 NHDHCHLKPRUOLN-MFKMUULPSA-N 208.301 2.932 0 40 BFAB CC[C@H](C)[C@@H](O)[C@H](C(=O)O)C1CCCCC1 4683096 RAYWBDQWWXCHQV-MVWJERBFSA-N 228.332 2.675 0 40 BFAB Clc1cc2n[nH]nc2c(Cl)c1Cl 5479648 UPOHHKQFJSIPBW-UHFFFAOYSA-N 222.462 2.918 0 40 BFAB CC[C@@H](Nc1cc(C)ccc1C)C(=O)O 8702765 CFQNYHYHUWFKFU-SNVBAGLBSA-N 207.273 2.579 0 40 BFAB CC(C)(Nc1ccc(F)c(Cl)c1)C(=O)O 8730723 UOUUZUXPHOOLFO-UHFFFAOYSA-N 231.654 2.754 0 40 BFAB Cc1ccc(NCC(=O)NC(C)C)c(Cl)c1 9155021 APOBARJIZNXEGF-UHFFFAOYSA-N 240.734 2.585 0 40 BFAB COc1ccc(NC(=O)c2ccccc2C)cn1 9377628 ORPYNWKCGRTCAQ-UHFFFAOYSA-N 242.278 2.651 0 40 BFAB c1cncc(CNc2ncnc3sccc23)c1 11535918 OQQMNOYZJPTICM-UHFFFAOYSA-N 242.307 2.698 0 40 BFAB O=C(O)CN1CCC[C@H]1c1ccc(Cl)cc1 12397285 BHDWAQFNSFQHNI-NSHDSACASA-N 239.702 2.562 0 40 BFAB CN(C)C(=O)CCCc1c[nH]c2ccccc12 12906057 STEIYURPLNQRDP-UHFFFAOYSA-N 230.311 2.579 0 40 BFAB CCN(CC)C(=O)[C@H]1C[C@H]1c1ccccc1 16037322 FTDZCEDFSJFQCS-STQMWFEESA-N 217.312 2.659 0 40 BFAB CCN(CCC(=O)O)c1ccc(F)c(Cl)c1 20133867 UEMYOQVOPFOGHJ-UHFFFAOYSA-N 245.681 2.780 0 40 BFAB CC(C)Nc1cnc2c(cnn2C(C)C)c1 20148129 UBNCSGXTPAHDLA-UHFFFAOYSA-N 218.304 2.833 0 40 BFAB Nc1ccc(Cl)c(NC(=O)c2cccnc2)c1 20344186 OXNMMVMUUDIASW-UHFFFAOYSA-N 247.685 2.570 0 40 BFAB CCn1nc(C)cc1NC(=O)c1sccc1C 28305818 LJQIOYBDADLRLR-UHFFFAOYSA-N 249.339 2.834 0 40 BFAB CCCn1nccc1NC(=O)c1ccsc1 31770274 GESZJBNSUSAQDI-UHFFFAOYSA-N 235.312 2.607 0 40 BFAB CC(C)CNC(=O)c1ccc(Cl)s1 33027030 IWUKJVAIUOTKOL-UHFFFAOYSA-N 217.721 2.787 0 40 BFAB O=C(O)C[C@@H](c1ccccc1)C(F)F 34427937 ATTSUIJPZMICFB-QMMMGPOBSA-N 200.184 2.510 0 40 BFAB c1ccc(OCCCNCc2cccs2)nc1 35287312 RPAHVOIZJHELPG-UHFFFAOYSA-N 248.351 2.702 0 40 BFAB CC(C)C[C@@H](N)C(=O)c1ccc2c(c1)CCC2 36162433 GPTVFUKKEMMESQ-CQSZACIVSA-N 231.339 2.731 0 40 BFAB CC(C)CC(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1 38302927 INBVDWVAPFBTHE-SWLSCSKDSA-N 249.354 2.613 0 40 BFAB CCCN(CCCCCCN)CC1CC1 42491171 LDPRTOGAZYFZFV-UHFFFAOYSA-N 212.381 2.628 0 40 BFAB CC(=O)N1CCC(Oc2c(C)cccc2C)CC1 46395655 VQAAABUTOCCSQI-UHFFFAOYSA-N 247.338 2.693 0 40 BFAB CCOc1ccc(/C=C/CC(=O)O)cc1OC 62710461 FPYJAHDINZWLPP-SNAWJCMRSA-N 236.267 2.582 0 40 BFAB CC[C@H]1Cc2c(Br)cccc2CN1 70821239 LJOHULKPUVFQKG-VIFPVBQESA-N 240.144 2.873 0 40 BFAB CC(C)CN1CCCC[C@H]1c1ccc(O)nc1 72212271 LXYCHSJMKXXIMC-ZDUSSCGKSA-N 234.343 2.970 0 40 BFAB NCC1(c2cc(-c3ccccc3)on2)CCC1 72220667 PVCQDXGENPKKNU-UHFFFAOYSA-N 228.295 2.722 0 40 BFAB CNCc1ccc(Oc2ccccc2)nc1C 72224210 RFRXUCRPDSXTSP-UHFFFAOYSA-N 228.295 2.902 0 40 BFAB Cc1nc(S[C@@H]2CCCCC2=O)oc1C 73788424 WOZXYUSUFSCWAT-SNVBAGLBSA-N 225.313 2.895 0 40 BFAB CC(C)CC(=O)NCc1cc(F)ccc1F 74987202 QFZRDCHDNJODNF-UHFFFAOYSA-N 227.254 2.627 0 40 BFAB Cc1ccc2nc(-c3ccc(C)o3)[nH]c(=O)c2c1 77257377 VHPZPXVRPSNQFS-UHFFFAOYSA-N 240.262 2.800 0 40 BFAB CC(C)N(CCN)[C@@H](C)c1ccc(F)cc1 79421274 ZTYMKJBOIWOJED-NSHDSACASA-N 224.323 2.556 0 40 BFAB CC(C)Nc1cc(Br)ccc1N 83730623 OXYJCZYMCDLXRM-UHFFFAOYSA-N 229.121 2.852 0 40 BFAB in-vitro C[C@H](Cc1ccoc1)NC(=O)Cc1cccs1 84829309 YOLFMMSBZLNMGU-SNVBAGLBSA-N 249.335 2.631 0 40 BFAB CC(C)c1noc(N2CCc3ccccc3C2)n1 89893657 DUEJKHCHEXHLSP-UHFFFAOYSA-N 243.310 2.756 0 40 BFAB CCOc1cc(NCc2ncc[nH]2)ccc1C 95429033 GSBLTVKPYIZHIB-UHFFFAOYSA-N 231.299 2.729 0 40 BFAB Cc1cnn(CCCNC[C@H]2CC=CCC2)c1 95433932 QVAQBMVMVLOHMQ-AWEZNQCLSA-N 233.359 2.528 0 40 BFAB CCOC(=O)c1coc(-c2ccccc2C)n1 95748781 JRPHMKVRFMPJBU-UHFFFAOYSA-N 231.251 2.827 0 40 BFAB CC1CCN(CCn2ccnc2C(C)C)CC1 96001656 LGLPPCFNWCZXFT-UHFFFAOYSA-N 235.375 2.738 0 40 BFAB Cc1cccc([C@@H](C)N[C@@]2(C)CCOC2)c1 97038535 OCJPSDZNTNAWHW-OCCSQVGLSA-N 219.328 2.825 0 40 BFAB Fc1ccc(-c2n[nH]c3c2[C@@H]2CC[C@@H](C3)N2)cc1 110751195 MWOBHEQMFAEHSG-QWRGUYRKSA-N 243.285 2.565 0 40 BFAB CC(C)c1cccc(Cn2cc(F)ccc2=O)n1 190731585 QNYCYIVJNQQNKA-UHFFFAOYSA-N 246.285 2.554 0 40 BFAB C[n+]1cccc(-c2nc3ccc(F)cc3s2)c1 226776597 DKYCFLLRWUKPCH-UHFFFAOYSA-N 245.302 2.927 0 40 BFAB COC(=O)c1cc(Cl)ccc1C(=O)C(F)F 309488776 YYQNTWAOJCEBEN-UHFFFAOYSA-N 248.612 2.574 0 40 BFAB FC(F)n1ccc(COCCC(F)(F)F)n1 408715288 APTZETBWHNDRGL-UHFFFAOYSA-N 244.163 2.747 0 40 BFAB C[C@H]1C(=O)N(C)c2ccc(Br)cc21 575440981 DESFHVMRAOGPIK-ZCFIWIBFSA-N 240.100 2.529 0 40 BFAB CN(C)c1nc2cccc(Cl)c2cc1C=O 685937354 NSTYSIFCAHLPEB-UHFFFAOYSA-N 234.686 2.767 0 40 BFAB COc1c(Cl)cc(Cl)c(CN)c1F 725239917 FEYNYRMTZHCEJB-UHFFFAOYSA-N 224.062 2.600 0 40 BFAB CCCC(=O)N[C@H](C)c1nc2ccccc2n1C 200695 LPBOGNDRJBAMMV-SNVBAGLBSA-N 245.326 2.551 0 40 BFAB Cc1ccc(/C=C/C(=O)Nc2nccs2)o1 3180321 WXPPKRVWDCVHPH-SNAWJCMRSA-N 234.280 2.696 0 40 BFAB CC(=O)Nc1nc(C)oc1-c1ccccc1 3212840 LPKJNKULLZWEGE-UHFFFAOYSA-N 216.240 2.608 0 40 BFAB Cc1cccc(NC2=N[C@@H](C)CS2)c1 3308364 FWENXIRYYJLUSB-VIFPVBQESA-N 206.314 2.898 0 40 BFAB Cc1ccc(SCCC(=O)O)cc1C 3346489 OVGUBQSJOHHQOX-UHFFFAOYSA-N 210.298 2.870 0 40 BFAB in-vitro O=Cc1ccc(OC(F)F)cc1OC(F)F 3885110 VACUIYCDKQBXCB-UHFFFAOYSA-N 238.136 2.702 0 40 BFAB C[C@]1(C(=O)O)CC[C@@H]2C(Br)=C[C@@]21C 4084485 XVYWNXXKUFDIRD-DRTBCBBWSA-N 245.116 2.786 0 40 BFAB biogenic COc1cccc(NC2(C(=O)O)CCCCC2)c1 4244809 QVLBGDJBKKCTBH-UHFFFAOYSA-N 249.310 2.895 0 40 BFAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[C@H]1C=CC(=O)O1 5515852 URWJVUPZIGIVFZ-HKUMRIAESA-N 238.327 2.903 0 40 BFAB biogenic C[C@H]1C[C@H]1C(=O)N[C@H]1C[C@H](C)CC(C)(C)C1 5696797 HCNCEEAFXADKPJ-FIQHERPVSA-N 223.360 2.973 0 40 BFAB CCCN1C(=O)S/C(=C/c2ccco2)C1=O 6879209 DJVFBGITJRDCDT-VQHVLOKHSA-N 237.280 2.726 0 40 BFAB Nc1nc2ccccc2n1Cc1ccc(F)cc1 9356294 XEARVXVLEKCISU-UHFFFAOYSA-N 241.269 2.806 0 40 BFAB biogenic O=C(CCc1ccco1)NCc1ccc(F)cc1 9450630 WSPDRNJQVNOTAY-UHFFFAOYSA-N 247.269 2.668 0 40 BFAB C[C@H](c1ccc(Cl)cc1)n1nccc1N 11920596 RFIPVJJGXFMAKY-MRVPVSSYSA-N 221.691 2.728 0 40 BFAB CN1C(=O)c2ccccc2N[C@@H]1c1cccs1 15249054 IAXUVCUJUIHWNA-LBPRGKRZSA-N 244.319 2.944 0 40 BFAB O=C(Nc1ccncc1)c1ccc2c(c1)CCC2 17585291 VZWVNCIXZLYSFU-UHFFFAOYSA-N 238.290 2.823 0 40 BFAB Cc1ccccc1Nc1cc(C(=O)O)ccn1 19845332 ZBGXLMDCWKKXAP-UHFFFAOYSA-N 228.251 2.832 0 40 BFAB Cc1ccccc1SCC(=O)N1CCCC1 33019293 GFEPROUQCOPNFK-UHFFFAOYSA-N 235.352 2.710 0 40 BFAB CCCn1ccnc1SCc1cc(C)on1 36396551 JQFPETQWFOWQRY-UHFFFAOYSA-N 237.328 2.882 0 40 BFAB CC(C)CNc1ncnc2c(F)cccc12 41471124 UDAHLVSXQPQGIW-UHFFFAOYSA-N 219.263 2.837 0 40 BFAB C1CCC(CNCCN2CCCCC2)CC1 42222108 YLVSZGVCILCKEZ-UHFFFAOYSA-N 224.392 2.642 0 40 BFAB Cc1ccc(C(=O)N2C[C@@H](C)OC[C@H]2C)c(C)c1 45523788 AZHVGEDVGQOFLE-CHWSQXEVSA-N 247.338 2.553 0 40 BFAB CC(C)(C)c1cc(CCC(=O)O)ccc1O 71452278 FZQRSWHPNZTNQQ-UHFFFAOYSA-N 222.284 2.707 0 40 BFAB CCNc1ccc([C@H]2CCCCN2C)cn1 72213089 HHTOTOANMRVBDZ-GFCCVEGCSA-N 219.332 2.670 0 40 BFAB C[C@H](Cc1ccoc1)NC(=O)c1ccsc1 84837610 FIKHIPPAYZYGRO-SECBINFHSA-N 235.308 2.702 0 40 BFAB C1=CCC(Nc2nc(C3CC3)ns2)C1 89598211 WRIUBIQAEWPBRV-UHFFFAOYSA-N 207.302 2.546 0 40 BFAB CCCC(=O)c1cc(F)c(F)c(OC)c1 95729430 IGMVVJBEXQIQNC-UHFFFAOYSA-N 214.211 2.956 0 40 BFAB Cc1cc2c(=O)n(C3CCCC3)cnc2cc1F 95939580 MBEJUTBVWDMPTJ-UHFFFAOYSA-N 246.285 2.959 0 40 BFAB NNc1cccc(SC(F)(F)F)c1 96125925 RLNCIRYSEMMHOP-UHFFFAOYSA-N 208.208 2.584 0 40 BFAB CN(C)Cc1ccnc(NC2CCCCC2)c1 97378246 NNADQLAUYGYGNC-UHFFFAOYSA-N 233.359 2.888 0 40 BFAB CCOC(=O)[C@H]1CC[C@H](OC(C)C)CC1 103546391 BACRLJUMCQABNV-PHIMTYICSA-N 214.305 2.533 0 40 BFAB CC(C)(C)c1nccc(N[C@@H]2C[C@H]3CC[C@H]2O3)n1 108104782 KUZVTFJKIVNGIY-GMTAPVOTSA-N 247.342 2.506 0 40 BFAB Clc1nc(Cl)nc(Cc2ccccc2)n1 116048322 HLHINYIRBZWBEF-UHFFFAOYSA-N 240.093 2.769 0 40 BFAB CCCc1cc(C(F)(F)F)ncc1N 199563399 HOXFQZFYPDEBLR-UHFFFAOYSA-N 204.195 2.635 0 40 BFAB CCc1ccc([C@@H](O)c2cccc(N)c2)cc1 226291561 LERGYBQFLOCURR-OAHLLOKOSA-N 227.307 2.913 0 40 BFAB C[C@H](OCc1ccc(Cl)cc1)[C@@H]1CO1 256051753 KKNGNXVQLIIYOV-KWQFWETISA-N 212.676 2.644 0 40 BFAB Cc1cnn(C)c1NCc1cc(F)cc(F)c1 256053539 RVJPQOWIDZYXHG-UHFFFAOYSA-N 237.253 2.619 0 40 BFAB CSCCC(=O)c1ccc(N(C)C)cc1 382675918 QRUIIQVAUIFRFX-UHFFFAOYSA-N 223.341 2.688 0 40 BFAB Cc1cc(-c2scnc2C)ccc1CN 642882571 NOAKIESNFFJSTA-UHFFFAOYSA-N 218.325 2.886 0 40 BFAB Cc1c(C2CC2)[nH]c2cc(F)ccc2c1=O 685938825 ZWQUITUEBFFKBQ-UHFFFAOYSA-N 217.243 2.853 0 40 BFAB O=C(c1ccccc1)c1cccnc1Cl 343372 KKJGMDXUAOTRBW-UHFFFAOYSA-N 217.655 2.966 0 40 BFAB CCOC(=O)c1ccccc1NC(=O)[C@@H](C)CC 484539 PSCNFAKVONCQAN-JTQLQIEISA-N 249.310 2.848 0 40 BFAB CC[C@H](CO)NCc1ccc(Cl)cc1Cl 576409 YFMRRLBEWOTNIY-SNVBAGLBSA-N 248.153 2.854 0 40 BFAB CCCc1cc(Cl)ccc1OCC(=O)O 1602246 BJRHEEWCRHIVJM-UHFFFAOYSA-N 228.675 2.756 0 40 BFAB CCCCNc1ncnc2ccccc12 3162915 RMPCMPHWXAQXIV-UHFFFAOYSA-N 201.273 2.842 0 40 BFAB O=C1Nc2ccccc2/C1=C\c1ccco1 4693315 PGZGBDVILWVGSF-DHZHZOJOSA-N 211.220 2.772 0 40 BFAB CC(C)N[C@@H]1CCC[C@@H]2c3ccccc3[C@]12O 5521682 BBVGKEUPIYFHFC-RBSFLKMASA-N 231.339 2.522 0 40 BFAB Cc1cccc(NC(=O)Cc2csc(C)n2)c1 7995483 PITIIEDNPSEYJZ-UHFFFAOYSA-N 246.335 2.941 0 40 BFAB C[C@H]1CSc2nc3nc4ccccc4c-3nn21 8844784 GQJREHOPPSDOOB-ZETCQYMHSA-N 242.307 2.598 0 40 BFAB Cc1cccc(C(=O)NCc2ccccn2)c1C 12538320 OWSACFWLBAFOFV-UHFFFAOYSA-N 240.306 2.628 0 40 BFAB CN1[C@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 13510067 NNCVFQYJJLNXGD-GIIGEWEBSA-N 237.302 2.925 0 40 BFAB NCCc1ccc(Oc2ccc(O)cc2)cc1 13681005 OVUVNKDANCKDCK-UHFFFAOYSA-N 229.279 2.686 0 40 BFAB in-vitro N=C(N)c1cccc(COc2ccccc2)c1 19479622 RZNBPLWRIVTCIZ-UHFFFAOYSA-N 226.279 2.550 0 40 BFAB CC1CCN(C(=O)Cc2cccc(F)c2)CC1 19934908 HMIOKSNQVFYGAC-UHFFFAOYSA-N 235.302 2.627 0 40 BFAB CC(C)c1ccccc1OCC(=O)N1CCCC1 20550466 ZUWVUOJTGJNEHS-UHFFFAOYSA-N 247.338 2.811 0 40 BFAB Cc1cc(C(=O)N2[C@@H](C)CCC[C@H]2C)ccc1N 22163444 DYUDATXXRCFYNT-TXEJJXNPSA-N 246.354 2.980 0 40 BFAB c1ccc(C2(c3ccccc3)CNCCO2)cc1 32155958 SVFBVQXAMFIPIM-UHFFFAOYSA-N 239.318 2.550 0 40 BFAB Cc1cc(Br)c2c(c1)C(=O)CCO2 34519767 UXJVBNRUWGNFAQ-UHFFFAOYSA-N 241.084 2.723 0 40 BFAB in-vitro CC(C)[C@@H](CN)c1ccc2c(c1)CCC2 41212241 WCVSDBYEPAIZBT-CQSZACIVSA-N 203.329 2.874 0 40 BFAB CC[C@H]1CCCCN1c1cncc(Cl)n1 42783561 XQSPNJRZTZGASO-VIFPVBQESA-N 225.723 2.899 0 40 BFAB Cc1cc(N[C@@H](C)c2ccccc2F)nc(N)n1 45724163 CSAJVHCMJVVMQC-VIFPVBQESA-N 246.289 2.679 0 40 BFAB CC(C)C(=O)NCCc1ccc(Cl)s1 49008884 YLGBQZKTHKCCPU-UHFFFAOYSA-N 231.748 2.716 0 40 BFAB CC[C@H](NC(=O)C[C@H]1C=CCC1)C(C)C 57410525 DVAFCOULTQUJSB-RYUDHWBXSA-N 209.333 2.894 0 40 BFAB CC[C@H](N)COCc1ccc(Cl)cc1 74496210 RMTITIYLIURULS-NSHDSACASA-N 213.708 2.594 0 40 BFAB CC[C@@H](C)C[C@H](C)NC(=O)NCc1ccncc1 78933113 DOKIXVPNGNBLBC-NEPJUHHUSA-N 249.358 2.706 0 40 BFAB COCCN1CC[C@H]1c1ccc(Cl)cc1 81605764 JXGUATSDUYQBSF-LBPRGKRZSA-N 225.719 2.733 0 40 BFAB Cc1cccc(C(=O)c2ccc3c(c2)OCO3)c1 84538299 RZTQLHBWVUSXGO-UHFFFAOYSA-N 240.258 2.955 0 40 BFAB O=C1[C@H]2C=C[C@H]1[C@H]1[C@H]2[C@@H]2C[C@H]1c1ccccc12 104282728 IBMKGOBRXZCXBC-PKCACUDHSA-N 222.287 2.888 0 40 BFAB Cc1nnc(CN[C@@H](C)c2cccc(C)c2C)o1 183726354 BGIZCDYYFXIELQ-NSHDSACASA-N 245.326 2.846 0 40 BFAB C[C@@H](C(=O)O)N(C)c1cc(Cl)cc(Cl)c1 224995376 ZEGNDFFVGLZLTA-LURJTMIESA-N 248.109 2.903 0 40 BFAB Cc1cc(N)c(-c2ccc(CO)o2)cc1C 256053548 RWSSNXMLHVSYNG-UHFFFAOYSA-N 217.268 2.638 0 40 BFAB Cn1cc(-c2ccc([C@@H]3CCCCN3)cc2)cn1 1857782885 YGKZVBVTHIAHLX-HNNXBMFYSA-N 241.338 2.902 0 40 BFAB COc1cc(C)nc(C2=N[C@@H](C(C)(C)C)CO2)c1 1942112087 FSFRJLGDNMOSDK-GFCCVEGCSA-N 248.326 2.590 0 40 BFAB O=C(Nc1ccccc1Cl)c1cccnc1 29539 HWBPWTZNDRKRHZ-UHFFFAOYSA-N 232.670 2.987 0 40 BFAB C[C@@]12C[C@@]3(Br)C(=O)[C@]1(C)CC[C@H]32 488308 MZUHKKJTABCVFS-LKEDHPFLSA-N 229.117 2.529 0 40 BFAB O=C(O)c1cccc(/N=C/c2cccc(O)c2)c1 571052 MYCZGNIIZMLLFV-OQLLNIDSSA-N 241.246 2.841 0 40 BFAB C[C@@H](O)c1c(-c2ccccc2)nn(C)c1Cl 1392058 SNLHRUDQRHIDBN-MRVPVSSYSA-N 236.702 2.794 0 40 BFAB COc1ccc(CC[C@@]2(C)OC[C@@H](C)O2)cc1 1666196 UOUFTMUYBCIYBY-RISCZKNCSA-N 236.311 2.779 0 40 BFAB CCN(C)C(=O)/C=C/c1cnc2ccccc2c1 4052089 FTMMOHLZZCTORP-CMDGGOBGSA-N 240.306 2.726 0 40 BFAB CCC(=O)NC(=S)Nc1ccc(C)cc1C 4091602 QGAWRUINIMVBDL-UHFFFAOYSA-N 236.340 2.526 0 40 BFAB CCCC[C@@H](CC)COCCC(=O)O 5821821 YDFFAJUOABOCFU-SNVBAGLBSA-N 202.294 2.694 0 40 BFAB CCCN1C(=O)S/C(=C/c2cccnc2)C1=O 6324000 DMWCKTDKMJUHMK-JXMROGBWSA-N 248.307 2.528 0 40 BFAB CC[C@H](Nc1cccc(C)c1C)C(=O)O 8702759 SVQFRAGBYXAPSX-JTQLQIEISA-N 207.273 2.579 0 40 BFAB CCCNC(=O)C1=Cc2ccccc2OC=C1 12274542 RLMDSJBCOZURCX-UHFFFAOYSA-N 229.279 2.502 0 40 BFAB C[C@H]1CCC[C@@H](C)N1C(=O)c1ccco1 12341501 QUWXLHIGIJVNOV-AOOOYVTPSA-N 207.273 2.683 0 40 BFAB C[C@H](NC(=O)c1ccoc1)c1ccccc1 15554297 GLLMNJOQUNIXNQ-JTQLQIEISA-N 215.252 2.771 0 40 BFAB COC(=O)/C=C\SC(=S)[C@@H]1CCCC1=N 17109208 WMJRFIIGUVFVCH-RTXBWZARSA-N 243.353 2.554 0 40 BFAB CN(c1ccccc1)c1ccc(C(=N)N)cc1 19865721 OXZWJFVZRXYNSE-UHFFFAOYSA-N 225.295 2.739 0 40 BFAB CCn1cc(NCc2cccs2)cn1 20351728 FBWYMRZNFBSMAU-UHFFFAOYSA-N 207.302 2.577 0 40 BFAB CC(C)C[C@@]1(C)N=C(c2ccccc2)N(C)C1=O 24718235 RAEWUNUWJKICKW-OAHLLOKOSA-N 244.338 2.710 0 40 BFAB CCCc1nn(Cc2ccccc2)cc1C(=O)O 32627631 UFZYVWQWNAGYSO-UHFFFAOYSA-N 244.294 2.582 0 40 BFAB CSCCC(=O)Nc1ccc2ccccc2n1 32902585 QIHPAIUKEQHKEH-UHFFFAOYSA-N 246.335 2.926 0 40 BFAB c1ccc([C@@H]2CCN[C@H](CN3CCCC3)C2)cc1 39982822 NEMBOXPYMBMMTE-CVEARBPZSA-N 244.382 2.618 0 40 BFAB CCCN(CC)C(=O)c1cccc(C)c1 40442555 CXVBTGKUSLNJQZ-UHFFFAOYSA-N 205.301 2.867 0 40 BFAB COc1cccc(NC(=O)CC(F)(F)F)c1 40490316 LKLKJDYOFNLVLN-UHFFFAOYSA-N 233.189 2.586 0 40 BFAB CCCN(C)Cc1ccc(OC)c(OC)c1 40540098 CLICBNPCPLFJMV-UHFFFAOYSA-N 223.316 2.546 0 40 BFAB CC(C)(C)CNc1ccc2c(c1)OCO2 41051144 PGRTVOBTMMWLHC-UHFFFAOYSA-N 207.273 2.873 0 40 BFAB CC(C)(C)c1ccc(CCCC(N)=O)cc1 41233016 YJHNBTQIAMEZFH-UHFFFAOYSA-N 219.328 2.792 0 40 BFAB COc1ccc(SC[C@H]2CCCN2)cc1 43497129 XYHOWPFALCDPKQ-SNVBAGLBSA-N 223.341 2.539 0 40 BFAB O=C(NCc1ccoc1)Nc1cccc(F)c1 47697795 BUDAUAOZYSKEBI-UHFFFAOYSA-N 234.230 2.740 0 40 BFAB C[C@@H]1C[C@H]1NC(=O)c1cc(Cl)nc(Cl)c1 52288460 HARXAMOUAFJOCN-IYSWYEEDSA-N 245.109 2.527 0 40 BFAB COc1cc(N)ccc1N1CCCC[C@H]1C 57363445 PIPYQYYDKVTYKA-SNVBAGLBSA-N 220.316 2.656 0 40 BFAB O=C(Nc1cccc(Cl)c1)N1CCC1 58355229 JAFPVGBWVGYSDO-UHFFFAOYSA-N 210.664 2.578 0 40 BFAB CCNc1ccnc(-c2ccc(OC)cc2C)n1 65497247 BZHWQCCCWXBEGI-UHFFFAOYSA-N 243.310 2.892 0 40 BFAB CN1CCC[C@@H](CN)[C@@H]1c1cccc(Cl)c1 68577301 QEZHRHPXKIVCHH-AAEUAGOBSA-N 238.762 2.682 0 40 BFAB in-vitro C[C@@H](O)[C@H]1CCCCN1Cc1cccc(F)c1 69703303 LSZUGIDZUKEUDY-BXUZGUMPSA-N 237.318 2.561 0 40 BFAB CC[C@@H](N)c1cnc(Br)cc1C 72222961 KBNGYOVZEOARQR-MRVPVSSYSA-N 229.121 2.562 0 40 BFAB COC(=O)c1ccc(Oc2ccccc2)nc1C 72224189 AUBGBGTYQCQENA-UHFFFAOYSA-N 243.262 2.969 0 40 BFAB COc1ccc(F)cc1NC(=O)[C@H]1CC1(C)C 93788532 ZBUBEOJUQGRRBR-SECBINFHSA-N 237.274 2.819 0 40 BFAB Cc1ccsc1[C@H](O)CCC1OCCCO1 95728559 CKORBKWQUVSRBJ-SNVBAGLBSA-N 242.340 2.633 0 40 BFAB CC(C)O[C@H](C[C@H]1CCCCN1)C(C)C 96530057 KDXHFEHNWPDEIY-CHWSQXEVSA-N 213.365 2.968 0 40 BFAB C[C@H]1CCCCCN1Cc1ccncc1 98013301 KCCAEHHFFYCFKW-LBPRGKRZSA-N 204.317 2.846 0 40 BFAB CC(C)C[C@H](CO)N[C@H]1CCCC[C@@H]1C 101616215 OKNJQBIBUICFJW-XQQFMLRXSA-N 213.365 2.562 0 40 BFAB CC(C)(C)c1ccc([C@H](NN)C2CC2)cc1 161796674 ZLIDJJDFEJKIHX-CYBMUJFWSA-N 218.344 2.899 0 40 BFAB CCCC(CCC)[S@](=O)C[C@H]1CCCO1 194541279 PQAMABRRCXTOEJ-IAQYHMDHSA-N 232.389 2.883 0 40 BFAB CC(C)OC(=O)OCC(Cl)(Cl)Cl 230479839 BXVZTZVGXVIVBP-UHFFFAOYSA-N 235.494 2.918 0 40 BFAB C[C@H](c1ccccc1)N1CCN[C@H]2CCC[C@H]21 242495620 GLGPYQCXXCTFDK-VHDGCEQUSA-N 230.355 2.574 0 40 BFAB C[C@@H](Oc1ccc(Br)cc1)[C@H]1CO1 256050119 CTNKYAWRIWSYGI-GMSGAONNSA-N 243.100 2.615 0 40 BFAB CC1(C)Oc2ccccc2[C@@H]2O[C@H](CN)CC[C@H]21 257323880 WMFRJQDZCCQCOW-SUHUHFCYSA-N 247.338 2.653 0 40 BFAB CC(=O)Oc1ccc(C(=O)C2CCCC2)cc1 575362237 PFBKLOLLJAFVRB-UHFFFAOYSA-N 232.279 2.985 0 40 BFAB Cc1ccc(N2CCC(C(F)(F)F)CC2)nn1 663670525 JXFKXEORRBPOSE-UHFFFAOYSA-N 245.248 2.564 0 40 BFAB Cn1cc(C(=O)c2ccc(Cl)cc2)cc1C=O 161336 IZCZCFOHCYBFEP-UHFFFAOYSA-N 247.681 2.722 0 40 BFAB C[C@@H](CO)Oc1ccc2ccccc2c1 480894 MIOCXGZKIFRNRK-JTQLQIEISA-N 202.253 2.599 0 40 BFAB CC(C)NC(=O)Nc1nccc2ccccc12 984083 BENAIYFREPPHQS-UHFFFAOYSA-N 229.283 2.765 0 40 BFAB NC(=O)[C@@H](C1=CCCCC1)c1ccccc1 2046325 HOVYGLDECOUQHF-CYBMUJFWSA-N 215.296 2.756 0 40 BFAB CCC(C)(C)NC(=O)c1ccc(N(C)C)cc1 3388753 DFQHBXPUYNCKOI-UHFFFAOYSA-N 234.343 2.671 0 40 BFAB CCOC(=O)C1=C[C@@]2(C)CC[C@@H]1C2(C)C 3846335 NHDHCHLKPRUOLN-GXFFZTMASA-N 208.301 2.932 0 40 BFAB Clc1cccc(Cl)c1OC[C@H]1CO1 4200179 VOYMDUMUZXIMNN-ZCFIWIBFSA-N 219.067 2.771 0 40 BFAB C[C@H]1CC=CC[C@@H]1C1OCC(C)(C)CO1 4536144 GEVSVFAZIUJFHZ-QWRGUYRKSA-N 210.317 2.988 0 40 BFAB C[C@@H]1CC=CC[C@H]1C1OCC(C)(C)CO1 4536146 GEVSVFAZIUJFHZ-GHMZBOCLSA-N 210.317 2.988 0 40 BFAB NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)o1 4619262 NWEWSQWKNMSBOP-UHFFFAOYSA-N 245.322 2.846 0 40 BFAB CC[C@@H](Oc1ccccc1)C(=O)N(CC)CC 4723561 GBQNEVCYILKLFB-CYBMUJFWSA-N 235.327 2.712 0 40 BFAB COc1ccc(CNC(=O)CC(C)(C)C)cc1 5496097 WHSZPHKKQIARNF-UHFFFAOYSA-N 235.327 2.748 0 40 BFAB C=Cn1c(C(=O)C(F)(F)F)cc(C)c1C 5541292 KCUCPZZHOHNDCN-UHFFFAOYSA-N 217.190 2.950 0 40 BFAB Cc1ccc(C(=O)NCc2ccco2)cc1F 7752572 FOTMJUBMWQRRJK-UHFFFAOYSA-N 233.242 2.657 0 40 BFAB C[C@@H](NC(=O)c1ccccn1)c1cccc(F)c1 12864875 WTJYALAUIZPDMT-SNVBAGLBSA-N 244.269 2.712 0 40 BFAB CC(C)=C[C@@H]1[C@H](C(=O)NC(C)C)C1(C)C 12981285 KAKXBNHJXOBMRL-GHMZBOCLSA-N 209.333 2.749 0 40 BFAB CC1(C)Cc2cccc(OC3CCNCC3)c2O1 19471090 FGZOKYUOJRRWHX-UHFFFAOYSA-N 247.338 2.531 0 40 BFAB in-vitro C[C@@H](NCc1c(Cl)cccc1Cl)C(=O)O 19787732 ZVDILYWGTUOROX-ZCFIWIBFSA-N 248.109 2.556 0 40 BFAB COc1ncccc1-c1ncnc2sccc12 32577669 CLGQXDDHVRBLQT-UHFFFAOYSA-N 243.291 2.762 0 40 BFAB Cc1ccc(Nc2nc(C(=O)O)cs2)cc1 33507898 WIECVIMOUUVYJU-UHFFFAOYSA-N 234.280 2.893 0 40 BFAB CC(C)[C@H](C)NC(=O)c1cc2ccccc2[nH]1 35148690 GERDOICYIBKCFU-JTQLQIEISA-N 230.311 2.942 0 40 BFAB CCCc1nc2ccc(C(=O)OC)cc2o1 39076060 YTGWSNZWYJNLAW-UHFFFAOYSA-N 219.240 2.567 0 40 BFAB Cc1ccc(C)c(C(=O)CCC(=O)NC(C)C)c1 40459288 JJXCJDBPOQPSAO-UHFFFAOYSA-N 247.338 2.791 0 40 BFAB COC(=O)c1ccc(NCCC(C)C)c(N)c1 41080858 VHOGUILGUGOMOW-UHFFFAOYSA-N 236.315 2.513 0 40 BFAB OC(=C\C1=NCCN1)/C=C/c1ccccc1Cl 62716127 RVTYTCTUQLAXET-BTHQEHEQSA-N 248.713 2.797 0 40 BFAB Clc1ncnc2c(Br)coc12 64033655 UCSMOMJNVDQFHX-UHFFFAOYSA-N 233.452 2.639 0 40 BFAB CN(C)C(=O)[C@@H](OC1CCCC1)c1ccccc1 69417382 HBPJDEQXMGOHPU-AWEZNQCLSA-N 247.338 2.775 0 40 BFAB CC(C)Oc1cccc(-c2cnc(CN)o2)c1 72220117 VALRHIYEMZFCPI-UHFFFAOYSA-N 232.283 2.588 0 40 BFAB CCOc1ncc([C@H](N)c2ccccc2)cc1C 72222101 GIBIEIXHQAMISS-CQSZACIVSA-N 242.322 2.837 0 40 BFAB CCCC(=O)N1CCCC[C@@H]1c1ccnc(C)n1 72361190 JEDPZKJHPIERPI-CYBMUJFWSA-N 247.342 2.639 0 40 BFAB CC(C)(C)OC(=O)NCc1cccc(F)c1 82609688 DENLVWATKNMUBL-UHFFFAOYSA-N 225.263 2.850 0 40 BFAB Cc1cc(CNCc2cnn(C(C)C)c2)c(C)o1 85395816 FAEIZSNLIJTVSB-UHFFFAOYSA-N 247.342 2.964 0 40 BFAB COc1cc([C@H](O)C(F)(F)F)ccc1Cl 86698894 YZOVPLIZIHVXNP-QMMMGPOBSA-N 240.608 2.944 0 40 BFAB CC(C)N(Cc1cccc2[nH]ccc12)C[C@H](C)O 93145652 POCSDSRWONCWBF-LBPRGKRZSA-N 246.354 2.759 0 40 BFAB Clc1cccc2c1NC[C@@H](n1ccnc1)C2 95098165 QCNPJPPXYNWKAW-JTQLQIEISA-N 233.702 2.746 0 40 BFAB CC(C)(O)Cc1ccc(F)c(Cl)c1 95729088 KVUREWVIVDDMQP-UHFFFAOYSA-N 202.656 2.793 0 40 BFAB Cc1ccc(-c2ccc(C(=O)O)[nH]2)cc1F 95951670 DDZKXEFJFUDRDD-UHFFFAOYSA-N 219.215 2.827 0 40 BFAB O=C(O)c1cc(Cl)c(F)cc1Cl 97437884 DJSYJVXNIQXPCN-UHFFFAOYSA-N 209.003 2.831 0 40 BFAB in-vitro COC(=O)C12CC3C[C@@H](C1)C(F)(F)[C@@H](C3)C2 100079634 IRSQDTPPCWEWKW-QMFGVRBNSA-N 230.254 2.621 0 40 BFAB OC[C@H]1CCC[C@@]12CCN(Cc1ccccc1)C2 110915422 RGBDVMIZXARMHK-CVEARBPZSA-N 245.366 2.671 0 40 BFAB N[C@H]1CCCC[C@@H]1Nc1ccc(F)cc1 218682411 ZXAQXCHNOQYJHK-RYUDHWBXSA-N 208.280 2.508 0 40 BFAB Cc1ccc(C)c(N2CCN[C@H]3CCC[C@H]32)c1 218845987 ZPJDLBYDCKSVLK-UONOGXRCSA-N 230.355 2.634 0 40 BFAB CCCCNCc1ccnn1[C@H](C)CC 256052894 PCCULJRXSMPQPT-LLVKDONJSA-N 209.337 2.744 0 40 BFAB Cc1cnn(C)c1NCc1ccc(F)s1 256053815 SZWBRAHYUQSAFW-UHFFFAOYSA-N 225.292 2.541 0 40 BFAB CSCCC(=O)c1cccc(OC(C)=O)c1 381283073 YSBXFGFKALMOMX-UHFFFAOYSA-N 238.308 2.548 0 40 BFAB COc1ccc(Nc2ccnc(C3CC3)n2)cn1 670370361 USPUWOLCAYDXJY-UHFFFAOYSA-N 242.282 2.501 0 40 BFAB CCOC(=O)c1cc(OC)c2cc(F)ccc2n1 685937404 TXRBUSNKXYXQSY-UHFFFAOYSA-N 249.241 2.559 0 40 BFAB COc1ccc2c(O)c(CC3CC3)c(O)nc2c1 685937490 YKQFEUAIIAPGNF-UHFFFAOYSA-N 245.278 2.607 0 40 BFAB CN(C)C1=NC[C@H](c2cc3ccccc3o2)C1 657 IYMLHOSZPZHXCR-LLVKDONJSA-N 228.295 2.880 0 40 BFAB in-man C[C@H]1CCCN(C(=O)c2cccs2)C1 172452 XQMMCJOEGKKEBJ-VIFPVBQESA-N 209.314 2.620 0 40 BFAB C=CC(=O)N(C)c1nc(-c2ccccc2)cs1 1352390 WIADGSBTCSRZSX-UHFFFAOYSA-N 244.319 2.959 0 40 BFAB CN(C)Cc1nc(-c2ccccc2)cs1 1671694 MZAWHJLRGNYCLL-UHFFFAOYSA-N 218.325 2.872 0 40 BFAB Cc1cc(Cl)c(OCC(=O)O)c(Cl)c1 1692355 YURLCYGZYWDCHL-UHFFFAOYSA-N 235.066 2.765 0 40 BFAB Cc1ccc([C@H]2NC(=O)c3ccccc3N2)s1 1716254 SMZMLCNTHXBCBB-GFCCVEGCSA-N 244.319 2.911 0 40 BFAB CC(=O)COc1cccc(Cl)c1Cl 1750017 XWAUACHNNLLKHN-UHFFFAOYSA-N 219.067 2.961 0 40 BFAB Cc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 5129270 BOXCBFCOYBRNFR-UHFFFAOYSA-N 242.303 2.960 0 40 BFAB c1ccc(C2=NN[C@H](c3ccncc3)S2)cc1 5390944 WODZHWJWXIDFFS-ZDUSSCGKSA-N 241.319 2.778 0 40 BFAB CCC[C@H](C)C(=O)Nc1ccc2c(c1)OCO2 6779243 NBBVWDFNCSBFNW-VIFPVBQESA-N 235.283 2.790 0 40 BFAB C[C@H]1CCO[C@H](/C=C\c2ccccc2)O1 8614338 LSEPTNAIKXLPFK-BYOMZUQQSA-N 204.269 2.851 0 40 BFAB Cc1ccc(-n2cccc2CO)cc1C 8701642 GVOKDOVPXPUQSK-UHFFFAOYSA-N 201.269 2.586 0 40 BFAB Nc1ccc(-c2nnc3n2CCCCCC3)cc1 9738387 VMISOIYJAHTARI-UHFFFAOYSA-N 242.326 2.644 0 40 BFAB Cc1nn(-c2ccccn2)c2c1[C@@H]1[C@H](C2)C1(C)C 12341245 RIMGAEPYRPNVBQ-HZMBPMFUSA-N 239.322 2.871 0 40 BFAB CCCc1cc(=O)n(-c2ccc(Cl)cc2)[nH]1 17879196 SBYVTGOQJBPAIG-UHFFFAOYSA-N 236.702 2.772 0 40 BFAB N=C(N)c1ccc(Oc2ccccc2F)cc1 19866014 CFFSQUKZEGMRHB-UHFFFAOYSA-N 230.242 2.902 0 40 BFAB in-vitro C1=CC(c2ccccc2)=N[C@@H]2CCCC[C@@H]2N1 20153853 VVUDASVFKRRYKL-LSDHHAIUSA-N 226.323 2.904 0 40 BFAB CCC(=O)c1ccc(OCc2noc(C)n2)cc1 20253810 CZTZHUDSXSLNSA-UHFFFAOYSA-N 246.266 2.550 0 40 BFAB COc1ccc(C)cc1[C@H](C)NC1CC1 21969172 WJWUPLSMTLDPIM-JTQLQIEISA-N 205.301 2.817 0 40 BFAB CCNC(=O)[C@H](CC)Oc1ccc(C)c(C)c1 30861771 NLLMGYWNEWOWFL-ZDUSSCGKSA-N 235.327 2.597 0 40 BFAB CCN(CC)C(=O)CSc1ccc(C)cc1 31852143 JDNNVMWRFNSSKW-UHFFFAOYSA-N 237.368 2.956 0 40 BFAB O=C(C[C@@H]1C=CCC1)NCc1cccs1 32739222 DNFTXZLHSJRXPJ-SNVBAGLBSA-N 221.325 2.721 0 40 BFAB CCONC(=O)c1cc(C)nc2ccc(C)cc12 32848275 CFGAHWCOCLXAGW-UHFFFAOYSA-N 244.294 2.533 0 40 BFAB Cc1ccc(NC(=O)CN(C)[C@@H](C)C2CC2)cc1 32906870 QDERBLXIXDNQBC-LBPRGKRZSA-N 246.354 2.664 0 40 BFAB CCOC(=O)C[C@]1(C)C=Cc2ccccc2O1 34478135 TVZUBZRXMWKSHF-AWEZNQCLSA-N 232.279 2.804 0 40 BFAB Nc1cccc(C(=O)OCc2ccccc2)c1 34552923 YQEQHIZMMDWDOV-UHFFFAOYSA-N 227.263 2.626 0 40 BFAB in-vitro CCOCCN[C@@H](CC)c1ccccc1 36229101 QYPZHHVHVDOMBC-ZDUSSCGKSA-N 207.317 2.764 0 40 BFAB CCNC(=O)[C@H](CC)Oc1ccccc1Cl 38771493 SENSFNJWGFDBHY-JTQLQIEISA-N 241.718 2.634 0 40 BFAB Cc1cc(Cl)ccc1CC1OCCO1 43214474 TYZOLROABCYBKT-UHFFFAOYSA-N 212.676 2.564 0 40 BFAB Cc1cc(C(=O)N2c3ccccc3C[C@H]2C)no1 44866134 BIVJWXGHSUFZKL-SECBINFHSA-N 242.278 2.574 0 40 BFAB CCNC(=O)c1ccc(CN(CC)C(C)C)cc1 58407736 KWPXWBZJGFQNDB-UHFFFAOYSA-N 248.370 2.667 0 40 BFAB Cc1ccc(C(=O)Nc2ccc(=S)[nH]n2)cc1 61966015 XWNYTABWGJPLMG-UHFFFAOYSA-N 245.307 2.700 0 40 BFAB O=C(Nc1ccc2c(c1)CCN2)C1CCCC1 63188072 FWVLIESVHDQLQF-UHFFFAOYSA-N 230.311 2.783 0 40 BFAB Cc1cc2[nH]nnc2c(Cl)c1Cl 70461520 JFZNDNUMDXBOOB-UHFFFAOYSA-N 202.044 2.573 0 40 BFAB CCN(CC)C(=O)Nc1ccc(C)cc1OC 72015919 VQQSLSCDRKQPPR-UHFFFAOYSA-N 236.315 2.877 0 40 BFAB CCSc1ccc([C@H]2CCCN2)cn1 72217104 RZKZJIGGMRSPPX-SNVBAGLBSA-N 208.330 2.618 0 40 BFAB CC(C)(C)CNC(=O)Nc1ccccc1 74921515 RPMCKPSZFXLNQP-UHFFFAOYSA-N 206.289 2.854 0 40 BFAB CCCC(=O)c1ccc(N2CCOCC2)cc1 84858788 JKVSAZTYCZKNDX-UHFFFAOYSA-N 233.311 2.506 0 40 BFAB O=C(C[C@@H]1CCCC1=O)c1ccc(F)cc1 85347830 REQDZJQRKSRCPQ-JTQLQIEISA-N 220.243 2.768 0 40 BFAB COc1ccc2cc([C@@H]3CNCCO3)ccc2c1 87090030 NHBVJHRXZSPLGY-HNNXBMFYSA-N 243.306 2.509 0 40 BFAB Fc1cc(Br)cc2c1CCCN2 95218304 IQCLVGHRLJRFNH-UHFFFAOYSA-N 230.080 2.946 0 40 BFAB in-vitro CC[C@@H](c1ccccc1)[S@](=O)CCCOC 95411033 LPUAGHXCLJHSTB-BBRMVZONSA-N 240.368 2.923 0 40 BFAB C[C@@H](Cc1ccc(F)cc1)N[C@H](C)CCCO 97017295 BDXUMXAGHFRTIA-NEPJUHHUSA-N 239.334 2.507 0 40 BFAB Cc1nccc(N[C@@H]2CCOC3(CCCC3)C2)n1 97228574 DBYJKXFCFNKKRB-GFCCVEGCSA-N 247.342 2.689 0 40 BFAB COC(=O)c1ccc(CCc2ccccc2)n1C 226028186 HUYPVPZLVUPKQS-UHFFFAOYSA-N 243.306 2.597 0 40 BFAB CN(C)C(=O)Oc1ccc2ccccc2c1 367582 HWXRSDPITDEWLJ-UHFFFAOYSA-N 215.252 2.900 0 40 BFAB C[C@@]1(C2CC2)NN=C(c2ccccc2)S1 432673 NSYZZGAACDBMJT-GFCCVEGCSA-N 218.325 2.811 0 40 BFAB CC(C)C(=O)N[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C 1689042 ZPPVUKKGSHDRRV-GYSYKLTISA-N 223.360 2.973 0 40 BFAB O[C@@H]1c2ccccc2CCC[C@H]1N1CCCCC1 1716414 YHKXIOBTHOUEOA-HZPDHXFCSA-N 245.366 2.911 0 40 BFAB CN(C)CC[C@@H](C(=O)C(C)(C)C)c1ccccn1 2045651 WHFIZBVXVJYPFM-GFCCVEGCSA-N 248.370 2.732 0 40 BFAB in-vitro CC(=O)c1cc(C)ccc1OC(F)F 3319675 ALAHRPOVQLLMQE-UHFFFAOYSA-N 200.184 2.799 0 40 BFAB Clc1ccc(-c2nnc(CNC3CC3)o2)cc1 3379413 VOLNNXCXRJEBDK-UHFFFAOYSA-N 249.701 2.642 0 40 BFAB Cc1c(NCc2ccncc2)cccc1C(=O)O 4935100 IMBXLKVFVVLGAH-UHFFFAOYSA-N 242.278 2.700 0 40 BFAB CC[C@@H](C)C(=O)Nc1ccc(C)c(N)c1 8703521 XKBPBJXCMFWOTR-MRVPVSSYSA-N 206.289 2.562 0 40 BFAB CC(C)CC(=O)Nc1noc2ccccc12 9667572 BXRJDJPZFJJBJB-UHFFFAOYSA-N 218.256 2.812 0 40 BFAB COc1cc(C(=O)Nc2nccs2)ccc1C 14129175 JHVGZCWTHHWMCY-UHFFFAOYSA-N 248.307 2.712 0 40 BFAB Cc1ccc(C)c(CC(=S)N2CCOCC2)c1 14608548 WJZIJPILUBHRRT-UHFFFAOYSA-N 249.379 2.506 0 40 BFAB Cc1cc(N)cc2nc(-c3ccncc3)oc12 20352369 ZSSRMCAADKURQR-UHFFFAOYSA-N 225.251 2.780 0 40 BFAB OC1=Nc2n[nH]cc2[C@@H](c2ccsc2)C1 20720251 PAAWFJLZGAZDKF-SSDOTTSWSA-N 219.269 2.595 0 40 BFAB Cc1ccc(OC(F)F)c([C@H](C)O)c1 21951628 PPTCZXPJMACSMB-ZETCQYMHSA-N 202.200 2.650 0 40 BFAB in-vitro CCn1ccc(NC(=O)c2ccc(C)s2)n1 27929938 BCLJPQWQYWQFKX-UHFFFAOYSA-N 235.312 2.525 0 40 BFAB CCOC(=O)C[C@@H]1CCOc2ccccc21 34247020 UKJHGKSYAFMJHL-JTQLQIEISA-N 220.268 2.506 0 40 BFAB CCCCCNc1ccc(N)cc1C(=O)O 37930350 NRVHVCGRIIJZLL-UHFFFAOYSA-N 222.288 2.569 0 40 BFAB O=C(O)/C=C/c1cc(F)ccc1Cl 39319932 AQNXBGSCEKKECO-DAFODLJHSA-N 200.596 2.577 0 40 BFAB CCCCOC(=O)c1ccnc(Cl)c1 43210604 WOVLQFVLVAWPAM-UHFFFAOYSA-N 213.664 2.692 0 40 BFAB CCc1nc(N2CCSCC2)sc1C 69327786 IVZPTVYXMZIUJP-UHFFFAOYSA-N 228.386 2.567 0 40 BFAB Cc1cccc2c1C(=O)N(C)[C@@H](c1ccco1)N2 69349533 CJXLIGFCPGTOOI-ZDUSSCGKSA-N 242.278 2.784 0 40 BFAB CCCCNc1ncccc1[C@H]1CCCN1C=O 72213586 STTSVFBYLBOHNR-CYBMUJFWSA-N 247.342 2.587 0 40 BFAB CCCNc1ccc([C@H](O)CC)c(C)n1 72224252 DEDAPRSRIOATLL-LLVKDONJSA-N 208.305 2.655 0 40 BFAB CC(C)(C)OC(=O)N1C(=O)C[C@H]1c1ccccc1 72481903 VIDZRGGALVURAK-NSHDSACASA-N 247.294 2.895 0 40 BFAB CC(=O)c1ccc(N2CCCCC2)s1 75528414 FBHVLAROAJHZSE-UHFFFAOYSA-N 209.314 2.941 0 40 BFAB COc1cccc(CS[C@@H](C)[C@H](C)O)c1 79057029 GUSBSIVXZHSHHJ-UWVGGRQHSA-N 226.341 2.698 0 40 BFAB CCc1ccc(C(=O)Oc2cccnc2F)o1 79059666 OMRUJWMHMNWQDC-UHFFFAOYSA-N 235.214 2.595 0 40 BFAB CC(C)C[C@@H](Cc1ccn(C(C)C)n1)C(=O)O 85167640 JWJKTEDJKIFWNQ-NSHDSACASA-N 238.331 2.753 0 40 BFAB CCCn1cc(NCc2ccoc2C)cn1 85396046 NWAJCXRHDWRQSI-UHFFFAOYSA-N 219.288 2.807 0 40 BFAB CCOC(=O)[C@H]1CCC[C@H]1NCc1ccccc1 91369052 MQQOIBAPZYNAPG-UONOGXRCSA-N 247.338 2.508 0 40 BFAB CCNCc1cccc(C)c1OC(C)C 95094850 WSXDZXSCZYCNTN-UHFFFAOYSA-N 207.317 2.892 0 40 BFAB CC(C)n1c(NN)nc2cccc(Cl)c21 95532056 BCCXBEPMHXLJRS-UHFFFAOYSA-N 224.695 2.556 0 40 BFAB Cc1csc([C@H](NCC2CC2)C2CC2)n1 95961933 KWQLBJAYJSSIJF-LLVKDONJSA-N 222.357 2.902 0 40 BFAB Cc1nnc(CN[C@@H]2CCC[C@H](C)[C@@H]2C)s1 97080752 UAYLIGKQKXAAFB-ATZCPNFKSA-N 239.388 2.761 0 40 BFAB C[C@H]1CCCN(c2ncncc2Cl)CC1 97166121 ZABKNJDCIXKHMZ-VIFPVBQESA-N 225.723 2.756 0 40 BFAB CC(C)CC(=O)N[C@H](C)[C@H]1C[C@@H]2CC[C@@H]1C2 101702750 RTEATVNILBCDSE-FDYHWXHSSA-N 223.360 2.973 0 40 BFAB Oc1cc(C(F)(F)F)nn1Cc1ccccc1 103603769 AEZWELOKOGULQG-UHFFFAOYSA-N 242.200 2.656 0 40 BFAB CCn1cc(CNc2nn(C(C)C)cc2C)cn1 256050797 GOMCADUSWYWLRK-UHFFFAOYSA-N 247.346 2.601 0 40 BFAB FC(F)n1nccc1CNCc1ccccc1 256052654 OEFWCYJQEYECDH-UHFFFAOYSA-N 237.253 2.568 0 40 BFAB CC(C)(C)c1nc(Cl)c2c(C=O)cnc-2[nH]1 575631118 ZBTFASFLCGEPKX-UHFFFAOYSA-N 237.690 2.673 0 40 BFAB C[Si]1(C)CCC[C@@H](CC(=O)O)CC1 584905838 JVGQOHOSFHSHJX-SECBINFHSA-N 200.354 2.970 0 40 BFAB O=C(NC1CC1)c1cccc(C(F)(F)F)c1 166865 SXFQCDCQGMEMMW-UHFFFAOYSA-N 229.201 2.598 0 40 BFAB Cc1ccc(-n2nc3ccc(N)cc3n2)c(C)c1 309649 BEGABUJCGKABMR-UHFFFAOYSA-N 238.294 2.620 0 40 BFAB Cc1c(N)ccc2[nH]c(-c3ccc(N)cc3)nc12 911797 BEXBJUKRZILANI-UHFFFAOYSA-N 238.294 2.703 0 40 BFAB CCN[C@H](CCCC1CCCCC1)C(=O)O 1724694 NXNYWXZKVCITLP-GFCCVEGCSA-N 227.348 2.800 0 40 BFAB O=C(O)[C@@]1(c2ccccc2)O[C@H]1c1ccccc1 1733981 VTCBMUQQGHEZCK-ZFWWWQNUSA-N 240.258 2.738 0 40 BFAB CC[C@H](C(=O)NC(C)C)c1ccccc1 2041989 TUSGSZXRIZJZIW-LBPRGKRZSA-N 205.301 2.705 0 40 BFAB O=C(c1ccc(CN2CCCC2)cc1)C1CC1 2514592 PRDAMARAVUUARY-UHFFFAOYSA-N 229.323 2.875 0 40 BFAB O=C1CCCCN1c1ccc(Cl)cc1 2524360 MATLCDYJRXTULR-UHFFFAOYSA-N 209.676 2.857 0 40 BFAB O=C(O)c1cccc(C(=O)Nc2ccccc2)c1 3013960 OFHSAGBLERSCES-UHFFFAOYSA-N 241.246 2.637 0 40 BFAB Cc1cc([C@@H](C)N)ccc1Br 3705642 GPDLQTSXVDZBBN-SSDOTTSWSA-N 214.106 2.777 0 40 BFAB CCCCC[C@H]1[C@@H](O)CC[C@H]1CC(=O)OC 4025422 DZWZEZICFCEJOT-TUAOUCFPSA-N 228.332 2.517 0 40 BFAB O=C(c1ccc2ncsc2c1)N1CCCCC1 4088454 WBTBDUPOTQKPLH-UHFFFAOYSA-N 246.335 2.922 0 40 BFAB CC1(C)C[C@H](O)[C@@]23CC[C@@H](O)[C@@](C)(CC[C@H]12)C3 4942611 BWXJQHJHGMZLBT-RKEKIRQTSA-N 238.371 2.725 0 40 BFAB biogenic CN(C)CCC1=NC(C)(C)Cc2ccccc21 5295817 KZLALDQFJGKOOY-UHFFFAOYSA-N 230.355 2.762 0 40 BFAB biogenic C[C@@H]1C/C=C\COC(=O)CC(C)(C)CC1=O 5373863 JOOZKGKZZBYYOP-UMCURTJPSA-N 224.300 2.501 0 40 BFAB O=C(C1CC1)N1CCC(c2ccccc2)CC1 6864091 ANJCHKVAHDNKLX-UHFFFAOYSA-N 229.323 2.803 0 40 BFAB Cc1ccc(NC(=O)[C@H]2C[C@H]2C)cc1C 7638214 QNRXZAYXVFZKQV-PWSUYJOCSA-N 203.285 2.898 0 40 BFAB Cc1cc2cc3c(cc2[nH]c1=S)OCCO3 13535549 QBTKSTAPCSOIMC-UHFFFAOYSA-N 233.292 2.977 0 40 BFAB Cc1ccc(OCCN2CCC(C)CC2)c(N)c1 13992567 PRGAVHDYBYEUTL-UHFFFAOYSA-N 248.370 2.688 0 40 BFAB Clc1ccc(CNCCN2CCCC2)cc1 20126716 KLAOUOOMPFFUMC-UHFFFAOYSA-N 238.762 2.525 0 40 BFAB in-vitro Cc1c(N)cccc1C(=O)N1[C@@H](C)CCC[C@H]1C 22169928 KISZGFIXRSDRCT-PHIMTYICSA-N 246.354 2.980 0 40 BFAB CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)O 26511245 LWGNFNNMROYMAI-UHFFFAOYSA-N 244.294 2.868 0 40 BFAB in-vitro O=C(Nc1ccc2c(c1)CCO2)[C@@H]1CC=CCC1 31343238 RFYGAKFAJWMNKE-LLVKDONJSA-N 243.306 2.916 0 40 BFAB c1ccc2c(N3CCCCC3)cnnc2c1 41123490 AZIPZWKZCFUTLU-UHFFFAOYSA-N 213.284 2.620 0 40 BFAB O=C(O)c1ccnc(-c2cccc(F)c2)c1 41229469 XJDQVAJNXSTJIP-UHFFFAOYSA-N 217.199 2.586 0 40 BFAB Cc1cc(C)c2nccc(O[C@@H](C)C(=O)O)c2c1 45928306 GFAWBEOGVFTBGC-JTQLQIEISA-N 245.278 2.704 0 40 BFAB Cc1nc2cc(-c3ccccc3)sc2c(=O)[nH]1 48603456 MFQLJKGRFRWGCM-UHFFFAOYSA-N 242.303 2.960 0 40 BFAB CNC1CCN(Cc2cccc(Cl)c2)CC1 53157703 OFMQVPYNQFHXAT-UHFFFAOYSA-N 238.762 2.524 0 40 BFAB CCc1noc(CN(CC)C2CCCCC2)n1 58403847 YBEORFYTUDYTSG-UHFFFAOYSA-N 237.347 2.787 0 40 BFAB CCO[C@@H](CN)c1cccc2ccccc12 62711929 CNYQMLCILVJSOT-AWEZNQCLSA-N 215.296 2.876 0 40 BFAB CC(C)Cn1c(CN)nc2cc(Cl)ccc21 64874478 WQBCLRYAGYFKCL-UHFFFAOYSA-N 237.734 2.804 0 40 BFAB CCn1nc(C)c(CNC2CCCCC2)c1C 69601921 RUEUPTAWCAOTPT-UHFFFAOYSA-N 235.375 2.942 0 40 BFAB O=C(NCC1(O)CCCCCC1)c1ccccc1 71911497 CRGDNPPWICHKDZ-UHFFFAOYSA-N 247.338 2.502 0 40 BFAB CCOc1ccc([C@H]2CCCN2CC)cn1 72211770 ZJVQSDPCQGCETH-GFCCVEGCSA-N 220.316 2.637 0 40 BFAB Cc1nc([C@@H]2CCCN2Cc2ccccc2)no1 75573190 SJRPQICGKXUZJZ-ZDUSSCGKSA-N 243.310 2.715 0 40 BFAB CC(C)c1ccn(Cc2nccn2C(F)F)n1 89893495 JIUQFSUQTNWICV-UHFFFAOYSA-N 240.257 2.646 0 40 BFAB CC(C)CNc1nc(Cl)cc(Cl)n1 91365948 SDAVFFVVXCQAOA-UHFFFAOYSA-N 220.103 2.851 0 40 BFAB CN1CCC2(CC1)CC(NCc1ccccc1)C2 91692920 HXMUKYHBCKDGQN-UHFFFAOYSA-N 244.382 2.651 0 40 BFAB CSc1ccccc1[C@H](O)c1cccn1C 95727920 KYOVFAFZROPFJF-ZDUSSCGKSA-N 233.336 2.829 0 40 BFAB CCN(Cc1cccnc1)c1cccc(CO)c1 95972532 AESZXOHGVLIKTJ-UHFFFAOYSA-N 242.322 2.600 0 40 BFAB COC[C@H](C)Nc1cccc(-c2nccn2C)c1 97095661 IBILHIOVZIOHPD-NSHDSACASA-N 245.326 2.534 0 40 BFAB CC1(C)[C@H]2CC[C@@]1(C)[C@](O)(c1ccccc1)C2=O 104117143 MGALRPPNRRTYLF-MAZHCROVSA-N 244.334 2.899 0 40 BFAB Cc1noc([C@@H](C)SCC[C@H]2CCCO2)n1 195576804 BXORNHOOZUNCTR-PSASIEDQSA-N 242.344 2.741 0 40 BFAB CC(=O)N1CCS[C@@H](c2ccccc2)CC1 211139746 BYMSEKCFMZLRHR-CYBMUJFWSA-N 235.352 2.713 0 40 BFAB Cc1cccc(-n2ccc(Br)n2)c1 216587677 HUCPSEMWKCYYEE-UHFFFAOYSA-N 237.100 2.943 0 40 BFAB O[C@@H](c1cc(F)c(F)cc1F)C(F)(F)F 236539536 MWWYYWVGKAFBRZ-ZETCQYMHSA-N 230.107 2.700 0 40 BFAB CC1(C)[C@H]2CC[C@@]1(C)[C@@](O)(c1ccccc1)[C@H]2O 242548069 LBJOLABNGPWNAP-WMHQRMGPSA-N 246.350 2.691 0 40 BFAB CCn1c(C)csc1=Nc1ccc(O)cc1 254545919 OBNDIZYXTVWEKW-UHFFFAOYSA-N 234.324 2.816 0 40 BFAB C[C@@H](Nc1cnn2c1CCCC2)c1ccoc1 631713411 NWGRYMDEAVUOAP-SNVBAGLBSA-N 231.299 2.986 0 40 BFAB CCC[C@@H]1Cc2c(sc3ncnc(N)c23)CO1 554681 OGDJSFCPWSUYOZ-SSDOTTSWSA-N 249.339 2.515 0 40 BFAB OCCN[C@@H](Cc1ccccc1)[C@@H]1CC=CCC1 1666266 FXGFUMWSVRDRPN-CVEARBPZSA-N 245.366 2.536 0 40 BFAB O=C1Nc2ccccc2S[C@H]1N1CCCCC1 3353389 TYRSEKOROXBGKY-CYBMUJFWSA-N 248.351 2.543 0 40 BFAB Cc1ccnc(NC2=NCC(C)(C)S2)c1 4047811 WINPUMBYOQMZMC-UHFFFAOYSA-N 221.329 2.683 0 40 BFAB CCCC(=O)Nc1nc(-c2ccccc2)ns1 4281864 HULLTNAETDYXRC-UHFFFAOYSA-N 247.323 2.944 0 40 BFAB CC[C@@H](C)c1ccc(OC(C)=O)c(C(=O)O)c1 5467944 HLVOCQZXDFAPSJ-MRVPVSSYSA-N 236.267 2.824 0 40 BFAB CC(C)(CO)NCc1cccc(Cl)c1Cl 6883175 CQKNUEYZJIGXSH-UHFFFAOYSA-N 248.153 2.854 0 40 BFAB CC[C@H]1SC(N)=N[C@H]1c1ccccc1 8652285 RKWVKNRVVGGJKE-ZJUUUORDSA-N 206.314 2.568 0 40 BFAB CCCCCNC(=O)c1ccc(OC)c(C)c1 9140101 QVACGPTVUFOXTC-UHFFFAOYSA-N 235.327 2.924 0 40 BFAB Cc1cc(C(=O)NCCc2ccccc2)c(C)o1 9314356 YJVZHMWITHDVIT-UHFFFAOYSA-N 243.306 2.869 0 40 BFAB Cc1ccc(OCc2ccco2)c(N)c1 14629562 LISSTFLQWATCQC-UHFFFAOYSA-N 203.241 2.749 0 40 BFAB in-vitro CCN(CC)C(=O)/C=C(/C)c1ccccc1 16892996 MVNJWFZUVMLUEN-QXMHVHEDSA-N 217.312 2.958 0 40 BFAB C[C@@H](N)c1nc(-c2c(F)cccc2Cl)no1 19785466 HCPRVGSZUGPTNY-RXMQYKEDSA-N 241.653 2.549 0 40 BFAB CCOc1ccc([C@H]2C[C@@H]2C(C)=O)cc1 20392448 OQDFOQMKXLHOBD-CHWSQXEVSA-N 204.269 2.778 0 40 BFAB CC[C@@H](O)c1cccc(Br)c1 21952865 NFRBOGHEHVPWKF-SECBINFHSA-N 215.090 2.893 0 40 BFAB in-vitro C[C@@H](Cc1cccs1)NC(=O)c1ccncc1 33203526 DXEQERPPKMKBNE-JTQLQIEISA-N 246.335 2.504 0 40 BFAB Oc1ccc(CNc2cccc3c[nH]nc23)cc1 37100141 ROBBWCOIOYGWJJ-UHFFFAOYSA-N 239.278 2.881 0 40 BFAB CC(C)n1c(CCN)nc2ccc(Cl)cc21 40417427 CPHKZVGBTNTNCT-UHFFFAOYSA-N 237.734 2.772 0 40 BFAB Sc1ccc(CN2CCCCC2)cc1 45206633 BPJYMXSJERTAMJ-UHFFFAOYSA-N 207.342 2.961 0 40 BFAB CN[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 53201417 XFQKITOGISHWKB-ZDUSSCGKSA-N 238.762 2.524 0 40 BFAB CC(=O)Nc1ccc(Nc2ccccc2)nc1 60332424 WEWQDQRTBJAOED-UHFFFAOYSA-N 227.267 2.784 0 40 BFAB CCCCCNCc1cnc(NC(C)C)nc1 62717616 WVRSCYYYSLNPEC-UHFFFAOYSA-N 236.363 2.577 0 40 BFAB O[C@@H](c1cccc2cccnc12)C(F)(F)F 69051003 YKNPYLKHKVOZMH-JTQLQIEISA-N 227.185 2.831 0 40 BFAB CCCN1CCC[C@H]1c1cnc(N)cc1C 72218502 ROMBMHRQDYFZGI-LBPRGKRZSA-N 219.332 2.519 0 40 BFAB Cc1nc(NCc2ccccc2)ccc1C=O 72224399 DURRQRPLLRXJSK-UHFFFAOYSA-N 226.279 2.815 0 40 BFAB NCC1(c2ccc(Br)c(F)c2)CC1 84554087 LBBIHIIVKGLQCF-UHFFFAOYSA-N 244.107 2.579 0 40 BFAB Cc1nsc(N[C@H]2CCc3ccccc32)n1 89721462 DPAFQOCLSULAPZ-NSHDSACASA-N 231.324 2.946 0 40 BFAB CC1=NCCN1c1cccc(Br)c1 95915530 YIADAEBZTCPOGE-UHFFFAOYSA-N 239.116 2.688 0 40 BFAB C[C@H]1CNCc2cc(C(F)(F)F)ccc21 96032338 WMFBSVMHQUYPDK-ZETCQYMHSA-N 215.218 2.912 0 40 BFAB CCS[C@@H]1CCCC[C@H]1NCc1cc[nH]n1 96455607 RHNKSHAOZFVJKU-VXGBXAGGSA-N 239.388 2.564 0 40 BFAB COC(=O)c1cc(OCC(C)C)cs1 96511051 RWXXJBYMBGXLMA-UHFFFAOYSA-N 214.286 2.570 0 40 BFAB O=C1CCNc2c(Br)cc(F)cc21 98180926 TVKIJQWEDGWWMN-UHFFFAOYSA-N 244.063 2.587 0 40 BFAB OCC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 100243153 JZJOEXRURZNLIA-NKVNRFPTSA-N 245.160 2.713 0 40 BFAB C[C@H](N[C@@H]1CCCC[C@@H]1N)c1ccccc1 147095213 QQTZYYSHFALROI-FPMFFAJLSA-N 218.344 2.607 0 40 BFAB OC[C@@H]1Nc2ccccc2C12CCCCC2 218698927 FBNNAWTUWQGTSY-ZDUSSCGKSA-N 217.312 2.675 0 40 BFAB C[C@@H]1CN(CCCCCF)C(C)(C)CO1 225467980 WXCWKAPGKRXFCN-LLVKDONJSA-N 217.328 2.626 0 40 BFAB NC(=S)CCc1ccc(C(F)(F)F)cc1 228941691 IKNCXTLETWRPOT-UHFFFAOYSA-N 233.258 2.924 0 40 BFAB c1nc(-c2noc([C@H]3C[C@@H]3C3CC3)n2)cs1 328838010 NOABFCGHESPUNO-SFYZADRCSA-N 233.296 2.707 0 40 BFAB CNC(=S)Nc1ccc(Cl)c(Cl)c1 116457 RYPFBMWLFMYKSV-UHFFFAOYSA-N 235.139 2.910 0 40 BFAB NNc1ncnc2scc(-c3ccccc3)c12 152446 HKYLLTSMUHTLBT-UHFFFAOYSA-N 242.307 2.644 0 40 BFAB in-vitro Cc1cc(NC2CCCCCC2)n2ncnc2n1 1368949 WWKBIGWKFDOAMY-UHFFFAOYSA-N 245.330 2.567 0 40 BFAB CC(C)CN(CC(C)C)C(=O)c1ccncc1 1456930 RNQRHZMGFCEUGG-UHFFFAOYSA-N 234.343 2.836 0 40 BFAB CCCCCC[C@@H]1OC[C@@H](CCCCO)O1 1674883 MICLGFWYTNNRFS-CHWSQXEVSA-N 230.348 2.861 0 40 BFAB CCCCCNC(=O)C(Cl)(Cl)Cl 1794309 JNFQABFRGDURIA-UHFFFAOYSA-N 232.538 2.663 0 40 BFAB COc1ccc2[nH]c(C)c(CCN(C)C)c2c1 1996368 ACEHBQPPDDGCGZ-UHFFFAOYSA-N 232.327 2.589 0 40 BFAB CCC(C)(C)[C@H](O)c1ccc2c(c1)OCO2 2042322 WJLPIYDKXYHQGX-GFCCVEGCSA-N 222.284 2.885 0 40 BFAB F[C@@H](C(F)(F)F)C(F)(F)[C@@H]1CCCO1 4348171 LUFBQXOWLQEASN-CRCLSJGQSA-N 222.128 2.701 0 40 BFAB in-vitro COc1ccccc1O[C@H]1CCCCC1=O 4972532 NLVNHTJOSPBAHC-NSHDSACASA-N 220.268 2.586 0 40 BFAB COc1ccc(OC)c(NC(=O)CC(C)C)c1 5726976 YVUHZVQYCFVYQB-UHFFFAOYSA-N 237.299 2.688 0 40 BFAB Cc1ccc(CNC(=O)C2CCC2)cc1F 12914700 ZJOXXJOUOJAYSN-UHFFFAOYSA-N 221.275 2.550 0 40 BFAB Cc1ccc(N)c(OCC(F)(F)F)c1 19502654 YSVIJBXNRJVSBO-UHFFFAOYSA-N 205.179 2.518 0 40 BFAB in-vitro Cc1ccc([C@H](O)c2ccc(N)cc2)cc1C 19780082 ZKWBCYYFFMHRIV-OAHLLOKOSA-N 227.307 2.967 0 40 BFAB CC[C@H](Oc1cccc(C)c1C)C(=O)NC(C)C 20040930 ALBLIGDUGOVHCW-ZDUSSCGKSA-N 249.354 2.985 0 40 BFAB Cc1c(N)c(O)c(Cl)c(C)c1Cl 20134810 GTADDOTYUYZQNY-UHFFFAOYSA-N 206.072 2.898 0 40 BFAB CCC[C@H]1Oc2ccc(Cl)cc2NC1=O 35372467 RAOBFSVCLVSPBQ-SNVBAGLBSA-N 225.675 2.840 0 40 BFAB Fc1cccc(-c2c[nH]c([C@@H]3CCCN3)n2)c1 36874178 BQNGYXFMXLXMPO-NSHDSACASA-N 231.274 2.640 0 40 BFAB in-vitro COc1cc(C)ccc1OCC[C@H]1CCCNC1 42773265 ONCQNWNVOVDEJR-CYBMUJFWSA-N 249.354 2.772 0 40 BFAB Cc1ccc(CNC(=O)c2ccco2)s1 48344173 FLVOLTKPWRZEIH-UHFFFAOYSA-N 221.281 2.580 0 40 BFAB COc1ccc([C@](C)(O)C(C)C)cc1F 55261533 SQXZUUOKRYYTMC-GFCCVEGCSA-N 212.264 2.698 0 40 BFAB COCCN1CCC[C@@H]1c1ccc(C)cc1 65621852 OQXLQGWONHVISZ-CQSZACIVSA-N 219.328 2.778 0 40 BFAB Cc1[nH]c(=O)c(C)c(C)c1-c1ccccc1 71255349 FCLGRRACFRHJRT-UHFFFAOYSA-N 213.280 2.967 0 40 BFAB COc1cc(/C=C/C(=O)O)cc(C(F)(F)F)c1 71867269 PHVYEXUYVALSAZ-NSCUHMNNSA-N 246.184 2.812 0 40 BFAB CC(C)N1CCC(c2ccc(N(C)C)cn2)CC1 72356954 YCOKOIYAWNGLFL-UHFFFAOYSA-N 247.386 2.735 0 40 BFAB COC(=O)CCc1ccc(Cl)c(C)c1 82722046 YRMRRMMWTSXHRS-UHFFFAOYSA-N 212.676 2.754 0 40 BFAB CC(C)=CCC[C@@H](C)N[C@@H]1CCc2[nH]ncc2C1 90454970 RUYGUJWLUBXEDO-TZMCWYRMSA-N 247.386 2.992 0 40 BFAB Cc1ccc(CN(C)C(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)o1 102252748 RYLVLDKJUKDXMD-SGMGOOAPSA-N 245.322 2.759 0 40 BFAB CC(C)C[C@H](N)CN1CC[C@H]2CCCC[C@@H]2C1 108275834 BNTIPNUKXBIXGB-KFWWJZLASA-N 238.419 2.872 0 40 BFAB N[C@@H]1CCCC[C@@H]1Nc1c(F)cccc1F 218865949 NUCOKQVNEJGCAX-MNOVXSKESA-N 226.270 2.647 0 40 BFAB CCCCCNCc1cc(C(F)(F)F)n(C)n1 256051302 IPGOYESWIGANDL-UHFFFAOYSA-N 249.280 2.719 0 40 BFAB O=C(Nc1cc(C2CC2)ccn1)c1cncs1 292209620 LMLHVLIZHOHNLA-UHFFFAOYSA-N 245.307 2.668 0 40 BFAB O=[N+](Nc1cccc(O)c1)c1cccc(O)c1 368035973 LVVLYYDKJDBWRW-UHFFFAOYSA-O 231.231 2.535 0 40 BFAB OC1(C(F)(F)F)CC(OCc2ccccc2)C1 716214165 URNLOOKADMSDMV-UHFFFAOYSA-N 246.228 2.659 0 40 BFAB O=C(c1ccc(Cl)c(Cl)c1)n1cccn1 37156 PPOZMMBGUFTQOQ-UHFFFAOYSA-N 241.077 2.878 0 40 BFAB in-vivo O=C(NC1CC1)c1cc(Cl)cc(Cl)c1 166867 MUVOQLLEVCPYHN-UHFFFAOYSA-N 230.094 2.886 0 40 BFAB Cc1cc(Cl)ccc1NC(=O)c1cnccn1 496770 QYYRGJLNRHAFOS-UHFFFAOYSA-N 247.685 2.691 0 40 BFAB CC(=O)[C@H](C)c1nc2ccccc2s1 1665935 ZZDKCNNIPGACNK-ZETCQYMHSA-N 205.282 2.989 0 40 BFAB in-vitro CCCC[C@@H](CC)COC(=O)CC(C)=O 1684739 QAUIAXORENGBSN-LLVKDONJSA-N 214.305 2.725 0 40 BFAB COc1cc2ccc3c(c2cc1OC)CNCC3 1729771 XZJMYBJVMNUIFM-UHFFFAOYSA-N 243.306 2.503 0 40 BFAB O=C1O[C@H](c2ccccc2)C[C@H]1N1CCCCC1 1842989 OTUIWPRWKLUVLB-KGLIPLIRSA-N 245.322 2.529 0 40 BFAB CCCCOc1ccc(C(=O)O)cc1F 2049149 LJHZPEYGGUVQRY-UHFFFAOYSA-N 212.220 2.703 0 40 BFAB C[C@H]1CCCN(c2ccc(C=O)cc2)C1 2538791 QUJFTCQOSCFPEH-NSHDSACASA-N 203.285 2.735 0 40 BFAB CCCCCNC(=O)[C@@H](C)Oc1ccccc1 2748003 MZDBBEVHNYTQDD-GFCCVEGCSA-N 235.327 2.760 0 40 BFAB CCC(=O)OCc1nc2ccccc2s1 3373697 IEZWKFIKURMFRW-UHFFFAOYSA-N 221.281 2.750 0 40 BFAB Cc1noc(N)c1-c1ccccc1Cl 12372273 SWCPSBUORKBJGH-UHFFFAOYSA-N 208.648 2.886 0 40 BFAB in-vitro Cc1cccc(C(=O)NC2CCCC2)c1C 12905705 LHCDYKNVQFBCLG-UHFFFAOYSA-N 217.312 2.976 0 40 BFAB Cc1cccc(NC(=O)N[C@H](C)[C@H]2CCCO2)c1 12977873 LRMKRWOUKFDMSM-DGCLKSJQSA-N 248.326 2.684 0 40 BFAB CNCc1ccc(-c2cccnc2)s1 13607141 ZSTXLHXHAPANSL-UHFFFAOYSA-N 204.298 2.530 0 40 BFAB in-vitro CC(C)NC(=O)c1ncoc1-c1ccc(F)cc1 19450193 ISXADOGVCBUNFD-UHFFFAOYSA-N 248.257 2.619 0 40 BFAB COc1ccc(NCc2ccc(C)o2)cn1 19877606 DSNXVBNZCOYSCB-UHFFFAOYSA-N 218.256 2.604 0 40 BFAB Cc1ccc(N[C@@H](C)C(=O)NCC(C)C)cc1 20313115 SLDUTBQBFKWXGH-LBPRGKRZSA-N 234.343 2.568 0 40 BFAB Cc1coc2c1c(C)cc1o/c(=N\N)cc(C)c12 20426519 JVFKTUUVGQYKSV-WJDWOHSUSA-N 242.278 2.879 0 40 BFAB Cc1cc(C)cc(Nc2ncccc2C(N)=O)c1 24970723 GPDGMAAMGBZJPU-UHFFFAOYSA-N 241.294 2.541 0 40 BFAB CCCn1nccc1NC(=O)c1ccc(C)s1 31770633 SFPOHVXOLKMEHD-UHFFFAOYSA-N 249.339 2.915 0 40 BFAB O=C(O)[C@H](c1ccccc1)c1cccc(O)c1 34121972 UTDATNFMTKKXBV-CYBMUJFWSA-N 228.247 2.609 0 40 BFAB O=C(O)c1ccc2nc3c(nc2c1)[C@@H]1CC[C@H]3C1 39867948 JPAIJDDWWXFORV-JGVFFNPUSA-N 240.262 2.693 0 40 BFAB Cc1ccc(C)n1[C@@H]1CCNC2(CCC2)C1 41054345 QLFCBNXUXRVKJV-CYBMUJFWSA-N 218.344 2.952 0 40 BFAB in-vitro FC(F)(F)CNc1cnc2ccccc2n1 52017500 ISYKKTMTRYWOOG-UHFFFAOYSA-N 227.189 2.604 0 40 BFAB CN[C@H]1CCCN(Cc2cccc(Cl)c2)C1 53201703 JXFIXPSJVHQEKI-ZDUSSCGKSA-N 238.762 2.524 0 40 BFAB Nc1ccc(N2CCCC2)c(Br)c1 59200817 VPSKLVYTWDZCNB-UHFFFAOYSA-N 241.132 2.632 0 40 BFAB OC[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 62720167 KVNJHEDVNVVWOD-WPRPVWTQSA-N 232.201 2.681 0 40 BFAB O=C(O)c1cc2ccc(C(F)(F)F)cc2cn1 67172214 XTVCEAFDLNWAGZ-UHFFFAOYSA-N 241.168 2.952 0 40 BFAB in-vitro c1ccc(N2CCCC[C@H](N3CCCC3)C2)nc1 71886579 CRPWDQUQKKQFOW-AWEZNQCLSA-N 245.370 2.536 0 40 BFAB Cc1nc(N2CCc3ccccc32)ccc1CO 72224978 DQEVQIBDUINVFZ-UHFFFAOYSA-N 240.306 2.577 0 40 BFAB CCCCN(CC)c1ncnc2[nH]ccc12 82189433 WLTOMWWPNSBSOB-UHFFFAOYSA-N 218.304 2.584 0 40 BFAB COCOc1ccc(Br)c(F)c1 83748963 NFLJDMCLZGFGJS-UHFFFAOYSA-N 235.052 2.571 0 40 BFAB O=C(C1CCCC1)N1C[C@@H]2CC=CC[C@H]2C1 89817987 QZMUKQBDNHSLRM-STQMWFEESA-N 219.328 2.601 0 40 BFAB O=C(c1ccoc1)N1C[C@@H]2CCCC[C@H]2C1 89885123 CCODRBOBKCJIRQ-QWRGUYRKSA-N 219.284 2.542 0 40 BFAB CC(=O)N1CC[C@@H](CSc2ccccc2)C1 95403668 SMAMNTIBAIINGS-GFCCVEGCSA-N 235.352 2.647 0 40 BFAB C=CC(=O)OCCCC(F)(F)C(F)(F)F 98210632 UYNXMRWOFAEXOW-UHFFFAOYSA-N 232.148 2.693 0 40 BFAB C[C@H](CCO)N[C@H]1C[C@H](c2ccccc2)C1(C)C 123287025 FAYOMRJZIWWWRD-YUELXQCFSA-N 247.382 2.929 0 40 BFAB CC(C)n1cc(-c2ccccc2O)cn1 218802106 VCZKEDVHNCBNFZ-UHFFFAOYSA-N 202.257 2.837 0 40 BFAB CC(C)c1nc(-n2cccc2)sc1C(=O)O 409423063 OECHCLLUQWSZMX-UHFFFAOYSA-N 236.296 2.755 0 40 BFAB COC(=O)c1c(OC)ccc(Cl)c1Cl 575714731 XXQOXAXFFABJDK-UHFFFAOYSA-N 235.066 2.789 0 40 BFAB S=C(Nc1cccnc1)NC1CCCCC1 111017 FQAPHNWUOFBPLU-UHFFFAOYSA-N 235.356 2.701 0 40 BFAB c1nnc2c3c4c(sc3ncn12)CCCCC4 126583 OAHHGZDYXATDKX-UHFFFAOYSA-N 244.323 2.608 0 40 BFAB C[C@@H](CC(=O)Nc1ncccn1)c1ccccc1 268354 DFOGTKUCJBQVCR-NSHDSACASA-N 241.294 2.609 0 40 BFAB COc1ccc([C@@H](C)NCc2ccncc2)cc1 385596 QMMAJWNYCZMPEP-GFCCVEGCSA-N 242.322 2.941 0 40 BFAB CC(=O)Oc1c[nH]c2ccc(Cl)cc12 2513957 IFSSBGDLKMSHCW-UHFFFAOYSA-N 209.632 2.747 0 40 BFAB CC(C)(C)[C@@]1(C)NN=C2Nc3ccccc3N21 4189717 PYQVIXRBGLJSDO-ZDUSSCGKSA-N 230.315 2.555 0 40 BFAB CCC(C)(C)NC(=O)Cc1ccccc1 5417119 JJAFOMCGTFLTSO-UHFFFAOYSA-N 205.301 2.534 0 40 BFAB O=C1C[C@@H]2CCCC[C@@H]2C12SCCS2 5566974 WGGVKUSALOMDKF-IUCAKERBSA-N 228.382 2.942 0 40 BFAB Cc1ccc(C(=O)N[C@H](C)c2ccccn2)cc1 12527878 GNLDFHGQJKMUSC-GFCCVEGCSA-N 240.306 2.881 0 40 BFAB C[C@@H]1C[C@H]1C(=O)N(C)Cc1cccc(Cl)c1 12976582 ZWSWWFLJLVFDRG-BXKDBHETSA-N 237.730 2.954 0 40 BFAB COc1cc(O)ccc1OCc1ccccc1 13376194 ATQAGTXPLZDYGP-UHFFFAOYSA-N 230.263 2.980 0 40 BFAB in-vitro OCCc1c[nH]c2ccc(C(F)(F)F)cc12 15973921 AULYOHSBUGNJQQ-UHFFFAOYSA-N 229.201 2.722 0 40 BFAB C(/C=C\C=C/N1CCCCC1)=[N+]1CCCCC1 16982274 GHJAWCTZTQSLLU-UHFFFAOYSA-N 233.379 2.809 0 40 BFAB O=C(c1cccc(O)c1)N1CCc2ccccc21 19839766 HZGHWWDLJKSWKR-UHFFFAOYSA-N 239.274 2.595 0 40 BFAB Nc1ccc2nc(-c3ccc(F)cc3)cn2c1 19953361 IWYAOYMSUXAEHT-UHFFFAOYSA-N 227.242 2.723 0 40 BFAB C[C@@H]1C[C@@H](C)CN(C(=O)CCc2cccnc2)C1 32747734 VEWWSQCROMDKAF-CHWSQXEVSA-N 246.354 2.519 0 40 BFAB CN(C)C(=O)/C=C/c1cc2ccccc2o1 36824276 AICTYQFPAWQYHY-BQYQJAHWSA-N 215.252 2.534 0 40 BFAB O=C(O)C[C@@H]1CCCCN1Cc1ccccc1 38027557 SHEKRTHWDKJFTP-ZDUSSCGKSA-N 233.311 2.516 0 40 BFAB CCOC(=O)c1cc(F)c(Cl)cc1F 47202700 RWNQCUICDKYYNJ-UHFFFAOYSA-N 220.602 2.795 0 40 BFAB in-vitro C[C@H]1CCCCN1Cc1nc(C(C)(C)C)no1 48341297 DWWCIKCLIZOBKO-JTQLQIEISA-N 237.347 2.742 0 40 BFAB CCOC(=O)C1CCN(C2CCCCC2)CC1 50047910 SGNHYMZMFHNVAC-UHFFFAOYSA-N 239.359 2.594 0 40 BFAB COc1cc(OC)cc(C(=O)CCSC)c1 69984363 RTGRLGPJNZONBE-UHFFFAOYSA-N 240.324 2.640 0 40 BFAB CC(C)(C)c1cccc(C2(O)CCOCC2)c1 72233404 UGSDDHHJPWQEFC-UHFFFAOYSA-N 234.339 2.982 0 40 BFAB Cc1ccnc(C2CCN(C3CCCC3)CC2)n1 72348416 ZKVKKOYANCZNGC-UHFFFAOYSA-N 245.370 2.907 0 40 BFAB CC(C)N(CC(=O)O)[C@@H](C)c1ccc(F)cc1 79421352 XUNCWICKWOIFFU-JTQLQIEISA-N 239.290 2.682 0 40 BFAB C[C@H](OC(=O)C1CC1)c1nc2ccccc2n1C 80801164 QOHJMXIHLKLYHU-VIFPVBQESA-N 244.294 2.588 0 40 BFAB Cc1cc(C)cc(NC(=O)c2cnco2)c1 82322860 LADRZICHQOFUMZ-UHFFFAOYSA-N 216.240 2.544 0 40 BFAB CN(C)c1ccc(C(=O)C2CCC2)cc1 84366474 WJHKSAYQSZDNPW-UHFFFAOYSA-N 203.285 2.735 0 40 BFAB Cn1nc(C(F)F)c(Cl)c1C(F)F 91252223 YKTAVQVKEGCTLN-UHFFFAOYSA-N 216.565 2.949 0 40 BFAB CC(C)[C@H](C)Nc1ccn(CC(F)F)n1 95991518 XSDVQIIJNRYCOO-QMMMGPOBSA-N 217.263 2.605 0 40 BFAB CCCCOc1ccc(F)c(C=O)c1F 98210677 CXTJKVXHNSIYFN-UHFFFAOYSA-N 214.211 2.956 0 40 BFAB C[C@]12CC[C@H]3[C@]1(C)C[C@]3(Br)C2=O 100384372 MZUHKKJTABCVFS-QRYDPKPESA-N 229.117 2.529 0 40 BFAB CCN(C(=O)C1=CN=S=N1)c1cccc(C)c1 101181272 ODCGXLROSHSBSL-UHFFFAOYSA-N 247.323 2.653 0 40 BFAB O=C(Nc1cn[nH]c1)Nc1ccc2[nH]ccc2c1 103579391 GZKLQQMJORALPJ-UHFFFAOYSA-N 241.254 2.535 0 40 BFAB CC(=O)O[C@H]1C[C@H]2CC[C@]13CCCC[C@H]23 103843294 BSPSZYSOSCHMNE-NDBYEHHHSA-N 208.301 2.908 0 40 BFAB CNCCCNc1cc(C)nc2ccc(F)cc12 222687072 IEABHXNSRNAGLI-UHFFFAOYSA-N 247.317 2.704 0 40 BFAB CCCC(=O)Nc1ccc(N)cc1CC 226317196 KSIXNZQXKBHIMD-UHFFFAOYSA-N 206.289 2.570 0 40 BFAB CC(C)(C)c1ccc(O[C@H]2CCSC2)nn1 585652636 QROODKZXNBSORA-VIFPVBQESA-N 238.356 2.658 0 40 BFAB Cn1cnc(-c2c(F)cccc2C(F)(F)F)n1 2362801771 SXVFOBNCWRYFJO-UHFFFAOYSA-N 245.179 2.640 0 40 BFAB CC(=O)c1nc2cc(Br)ccc2[nH]1 3163287 OHZBVWWAKOKDFM-UHFFFAOYSA-N 239.072 2.528 0 40 BFAB CC(C)c1cc(=O)oc2cc(O)ccc12 3344962 ZPZNGNXYGLIIKR-UHFFFAOYSA-N 204.225 2.622 0 40 BFAB in-vitro Cc1cc(C)c(-c2nnc(N)s2)c(C)c1 3716268 VBYVGLHVGUXMDD-UHFFFAOYSA-N 219.313 2.713 0 40 BFAB COc1ccc2c(c1)CC1(CCC(=O)CC1)C2=O 3851983 ZFSUWFPOEAUCHE-UHFFFAOYSA-N 244.290 2.564 0 40 BFAB biogenic CCC(C)(C)C(=O)Nc1ccc(N)c(C)c1 8703491 ZOMAJLBUMQAWEM-UHFFFAOYSA-N 220.316 2.952 0 40 BFAB O=C(NCc1ccsc1)C1CCCC1 13698099 CXDUTYMTNVGXGY-UHFFFAOYSA-N 209.314 2.555 0 40 BFAB Cc1noc(C)c1CNC1CCCCC1 20252798 PARIGTXLTGNRSZ-UHFFFAOYSA-N 208.305 2.714 0 40 BFAB COCC(=O)Nc1c(C)cc(C)cc1Cl 23184889 NLAGFFMVVIRVHL-UHFFFAOYSA-N 227.691 2.542 0 40 BFAB Cc1cccc2c1N[C@H](c1cccs1)NC2=O 28923415 NCJWYFSKCCNQNU-LBPRGKRZSA-N 244.319 2.911 0 40 BFAB CCCn1c(S)nnc1COc1ccccc1 34925544 DXEGKLFXEHWCLC-UHFFFAOYSA-N 249.339 2.556 0 40 BFAB Cc1nc(-c2cccnc2)nc(Cl)c1C 37947829 VGIFXNGFSYWPKS-UHFFFAOYSA-N 219.675 2.809 0 40 BFAB in-vitro O=C1CCc2cc(N3CCCCC3)ccc21 39952309 DBDOOBZPUJXLJY-UHFFFAOYSA-N 215.296 2.806 0 40 BFAB Cc1ccc(-n2cnc(Cl)c2C=O)cc1 40150488 VXGRWTCBSXEFLM-UHFFFAOYSA-N 220.659 2.647 0 40 BFAB CC[C@@H](C)Cn1c(C=O)nc2ccccc21 41058255 CEZMXOIZWYXPFX-SNVBAGLBSA-N 216.284 2.895 0 40 BFAB CCOc1cccc(OCC[C@@H]2CCCCN2)c1 42773657 QBIWNWZSFAMFAT-ZDUSSCGKSA-N 249.354 2.996 0 40 BFAB O=C(c1cccc(F)c1)[C@H]1CCC[C@H]1C(=O)O 43879028 YWYRHYHQPXIURO-WDEREUQCSA-N 236.242 2.509 0 40 BFAB O=C(O)c1ccc(C(F)(F)Cl)cc1 44224859 SQWZPCPYWCYVDS-UHFFFAOYSA-N 206.575 2.673 0 40 BFAB N[C@H](CC1CCOCC1)c1cccc(F)c1 53789762 XHFLVFFPLWHVGP-CYBMUJFWSA-N 223.291 2.642 0 40 BFAB Cn1cccc1[C@H]1CCCCCN1C(=O)C1CC1 58344748 LIRXIBVGSGWPQE-CQSZACIVSA-N 246.354 2.879 0 40 BFAB CCn1c([C@H](C)O)nc2cccc(Cl)c21 62365851 LEEGJGYESQYCKX-ZETCQYMHSA-N 224.691 2.763 0 40 BFAB OC[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 62720358 CUHAGPDZUGMJIR-SCZZXKLOSA-N 216.202 2.801 0 40 BFAB CC[C@@H](N)c1ccc(N2CCCCCC2)nc1 72225477 DYRMVAOZHYCCOE-CYBMUJFWSA-N 233.359 2.872 0 40 BFAB CC(C)(C)CC(=O)N1CCC[C@@H](c2ccn[nH]2)C1 89642986 LVESTZPYPQUMEJ-LLVKDONJSA-N 249.358 2.552 0 40 BFAB COCC(C)(C)N[C@H](C)c1ccccc1OC 95991176 CHBVXMUJEKUHJM-LLVKDONJSA-N 237.343 2.771 0 40 BFAB CC(C)n1c(C(F)F)nc2c(Cl)ncnc21 96511306 WUKMINXTUISACU-UHFFFAOYSA-N 246.648 2.998 0 40 BFAB COc1ccc(NC(=O)[C@H]2CC=CCC2)c(C)n1 98019338 VBBAPFGXWJBBJS-NSHDSACASA-N 246.310 2.693 0 40 BFAB COCCCNCc1cccn1-c1ccccc1 113704100 ISVPBGPDOBEJIR-UHFFFAOYSA-N 244.338 2.603 0 40 BFAB Clc1ccc(Cn2ccnn2)c2ncccc12 128069224 BXZGPSABTAIHHF-UHFFFAOYSA-N 244.685 2.528 0 40 BFAB CC[C@H](NN)c1ccc(F)c(Br)c1 161804938 CXADIRJEFGPWMQ-VIFPVBQESA-N 247.111 2.503 0 40 BFAB COc1c(C)cc(Br)cc1C(C)=O 214417776 ZAZQJFFSCADKJH-UHFFFAOYSA-N 243.100 2.969 0 40 BFAB OCc1cccn1-c1ccccc1C(F)(F)F 223740124 BKVWJRPWADQEPR-UHFFFAOYSA-N 241.212 2.988 0 40 BFAB CC=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1 1775995558 UAOBOQKHRJISDK-OKILXGFUSA-N 242.322 2.795 0 40 BFAB C[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 29757 JOEUOTUBSKBWPN-JTQLQIEISA-N 221.275 2.698 0 40 BFAB CC1(C)C[C@H](O)[C@@]23CC[C@@H](O)[C@@](C)(CC[C@@H]12)C3 1410179 BWXJQHJHGMZLBT-CUZKYEQNSA-N 238.371 2.725 0 40 BFAB biogenic Cc1cc2nc(N(C)C)cc(N(C)C)c2cc1C 1573334 HKSSZJGFJLBREO-UHFFFAOYSA-N 243.354 2.984 0 40 BFAB CCCCOCCOC(=O)c1ccc(C)cc1 1615275 IGLZQRKVVHURIP-UHFFFAOYSA-N 236.311 2.969 0 40 BFAB CC(C)C[C@H](C)NCCOC(=O)c1ccccc1 1710462 UMXJALFJEQVXKW-ZDUSSCGKSA-N 249.354 2.868 0 40 BFAB CCC(C)(C)NC(=O)[C@@H](C)Oc1ccccc1 4702936 XKJWJWAHIZDBTQ-LLVKDONJSA-N 235.327 2.759 0 40 BFAB C/C(=C\C(=O)N(C)c1ccccc1)N1CCCC1 5287517 WCGIKOFGLVCRSH-OUKQBFOZSA-N 244.338 2.649 0 40 BFAB CNC(=O)c1sccc1-c1ccccc1 5424232 GGCQYIZPPMCGSZ-UHFFFAOYSA-N 217.293 2.775 0 40 BFAB Cc1c(Cl)cc(Cl)cc1OCC(=O)O 5678015 FICTVYHGPCFLMQ-UHFFFAOYSA-N 235.066 2.765 0 40 BFAB Cc1ccc(Cl)cc1NC(=O)[C@H]1CCCO1 6278550 FLVMCWCPQUIHLQ-LLVKDONJSA-N 239.702 2.766 0 40 BFAB Cc1[nH]c2ccc(C(=O)NC3CC3)cc2c1C 7007366 GTZITSDFBTZNGA-UHFFFAOYSA-N 228.295 2.677 0 40 BFAB COc1cccc(NC(=O)OCC(F)(F)F)c1 8981478 KIXJMZBMMCSAIN-UHFFFAOYSA-N 249.188 2.806 0 40 BFAB CNCCc1ccc(Cl)cc1Cl 11755858 HFZDHWMAYFMDKY-UHFFFAOYSA-N 204.100 2.755 0 40 BFAB CNC(=O)[C@H](C)c1ccc(CC(C)C)cc1 12027748 NBHUHIDFSMVHQJ-LLVKDONJSA-N 219.328 2.735 0 40 BFAB COc1cccc(-c2ccc(F)c(CN)c2)c1 14629083 AUAPOIBKSZSRIJ-UHFFFAOYSA-N 231.270 2.960 0 40 BFAB in-vitro CNCCC1CCN(Cc2ccccc2)CC1 15424005 ZPHVJCUYEOASFK-UHFFFAOYSA-N 232.371 2.508 0 40 BFAB CC(C)=CCOc1cccc(C(=O)O)c1 19806698 MPDXZEAUIIFQRB-UHFFFAOYSA-N 206.241 2.730 0 40 BFAB in-vitro COc1ccc(NCc2ccccn2)c(OC)c1 19903486 OOPACPXTPXBMAP-UHFFFAOYSA-N 244.294 2.711 0 40 BFAB CCOC(=O)/C(F)=C(/F)c1ccc(OC)cc1 26897087 FSGLMIJKDPMJFQ-KHPPLWFESA-N 242.221 2.866 0 40 BFAB CCC[C@H]1C=Cc2c(cc(C)oc2=O)O1 26897564 MAHHLJORZKAWRY-VIFPVBQESA-N 206.241 2.523 0 40 BFAB Cc1cccc2c1N[C@@H](c1ccsc1)NC2=O 27578175 NJVSZTSFVWNGTQ-GFCCVEGCSA-N 244.319 2.911 0 40 BFAB CC[C@H]1CCCCN1C(=O)c1ccc(C)nc1 32903791 IWCBSZOXPHLZBX-ZDUSSCGKSA-N 232.327 2.795 0 40 BFAB Cc1ccc(NC(=O)Cc2ccsc2)c(O)c1 33028966 QJHAMQOKKIRFSH-UHFFFAOYSA-N 247.319 2.943 0 40 BFAB Cc1ccc(N[C@H]2CCCC[C@@H]2O)cc1 34451479 JTCBCGKEWZZVIP-STQMWFEESA-N 205.301 2.710 0 40 BFAB COc1cc2c(OC)cccc2cc1C=O 39250077 RAWBFWIHQDOJLK-UHFFFAOYSA-N 216.236 2.670 0 40 BFAB Nc1n[nH]c2cccc(OC3CCCCC3)c12 40449025 BUAYYOWTCOGQSA-UHFFFAOYSA-N 231.299 2.857 0 40 BFAB Cc1cccc(NC(=O)CC[C@@H]2CCCO2)c1 40505826 DWZKIKKPTXAVOK-ZDUSSCGKSA-N 233.311 2.893 0 40 BFAB CC[C@@H](C)NC(=O)Nc1ccccc1N(C)C 40526929 UTROHYQTHORUKE-SNVBAGLBSA-N 235.331 2.673 0 40 BFAB O=C(c1cc(F)cc(F)c1)c1ccco1 43606619 HQXAKZGDJDOSGQ-UHFFFAOYSA-N 208.163 2.789 0 40 BFAB Cc1cc(NC(=O)N[C@H](C)c2ccc(C)o2)no1 44889866 LPPUBEMVYSAJPZ-SECBINFHSA-N 249.270 2.767 0 40 BFAB Cc1nc2nc(SC(C)C)nn2c(C)c1C 60867405 WZXNXVSFHNOCIM-UHFFFAOYSA-N 236.344 2.550 0 40 BFAB CC(=O)N1CCC[C@@H]1c1ccc(OC(C)C)nc1 72211893 CBWNKQHNDVDGHY-CYBMUJFWSA-N 248.326 2.552 0 40 BFAB Cc1csc([C@@H]2CCCN2C(=O)C(C)C)n1 72361248 OLYCEWSMOIRXEF-JTQLQIEISA-N 238.356 2.771 0 40 BFAB Cc1ccccc1CN(C)CCC1OCCCO1 76091083 NYSQUTZNWZWHRY-UHFFFAOYSA-N 249.354 2.580 0 40 BFAB FCCn1ccc2c(Cl)nc(Cl)nc21 95629781 XGJZRSSMPLGXDD-UHFFFAOYSA-N 234.061 2.708 0 40 BFAB COC(=O)CCCC(=O)c1ccccc1C 95729462 VHOIJHOAXGAZML-UHFFFAOYSA-N 220.268 2.521 0 40 BFAB CC(C)N1CCCN(C[C@H]2CC=CCC2)CC1 96489402 JZGGYQNZPLAOIH-HNNXBMFYSA-N 236.403 2.759 0 40 BFAB CO[C@H](C)c1nc(N)cc(CCC2CCCC2)n1 96529236 SSXXYMIRTVCDPI-SNVBAGLBSA-N 249.358 2.889 0 40 BFAB Oc1ccc(Br)c2ncccc12 98180193 PQDUEAPSAXAQOY-UHFFFAOYSA-N 224.057 2.703 0 40 BFAB Cc1nn(-c2ccccn2)c2c1[C@@H]1[C@@H](C2)C1(C)C 100578107 RIMGAEPYRPNVBQ-YGRLFVJLSA-N 239.322 2.871 0 40 BFAB O=C(NC1CCCCC1)N[C@@H]1C[C@@H]2CC[C@@H]1C2 101036203 PABXXVLWHCCHBX-NQBHXWOUSA-N 236.359 2.807 0 40 BFAB CCOC(=O)c1ccc(C)nc1-c1ccncc1 199567996 OPFPPVWZPOSTEF-UHFFFAOYSA-N 242.278 2.629 0 40 BFAB CC(C)N1CCC(c2cncc(Cl)n2)CC1 205672976 BTZOLWROCMFGRN-UHFFFAOYSA-N 239.750 2.718 0 40 BFAB O=C(Cc1ccc(F)cc1)N1[C@H]2C=CC[C@H]1CC2 211134993 RHXZPCNFAGGMDB-KBPBESRZSA-N 245.297 2.688 0 40 BFAB CCCc1nc2c(s1)[C@@H](C(C)C)NCC2 218332467 UYMQHAUHTXIDQQ-LLVKDONJSA-N 224.373 2.938 0 40 BFAB CNCc1c(Br)sc(C)c1C 218676241 MZNCDFRMZLIZIQ-UHFFFAOYSA-N 234.162 2.847 0 40 BFAB CCOc1ccc(N[C@@H]2CCCC[C@@H]2N)cc1 218860860 BYHYPGPSPNFWER-UONOGXRCSA-N 234.343 2.767 0 40 BFAB C[C@@H]1CN2CCC[C@@H]2CN1C[C@@H]1CC=CCC1 227420541 PPTRKUGASCANCS-RBSFLKMASA-N 234.387 2.511 0 40 BFAB Oc1cccc(NCC(F)(F)C(F)F)c1 1083811759 MNMRNTLYPAHIPX-UHFFFAOYSA-N 223.169 2.705 0 40 BFAB CC(C)c1ccc(NC(=O)c2cnsn2)cc1 151275 BJBYOYISQNVXLO-UHFFFAOYSA-N 247.323 2.914 0 40 BFAB CCS(=O)(=O)Nc1cccc2ccccc12 363860 FJJSCXZEHPNMBH-UHFFFAOYSA-N 235.308 2.601 0 40 BFAB Cc1ccc(NC(=O)c2ccco2)cc1O 364435 DIPYUCDKLWIPQH-UHFFFAOYSA-N 217.224 2.546 0 40 BFAB O=C1CCCC[C@H]1COC[C@@H]1CCCCC1=O 1577219 DZGKWALXSURTBW-RYUDHWBXSA-N 238.327 2.522 0 40 BFAB CCOC(=O)Nc1cc(F)c(F)cc1F 1682745 QDDGWVICYBTNKX-UHFFFAOYSA-N 219.162 2.672 0 40 BFAB CCOC(=O)Cc1cc(C)c2ccccc2n1 1722727 DJSHHCCZFLNHPM-UHFFFAOYSA-N 229.279 2.649 0 40 BFAB C/C=C/c1cc(OC)c(OC)c(OC)c1 1747260 RRXOQHQFJOQLQR-AATRIKPKSA-N 208.257 2.746 0 40 BFAB endogenous,in-man CC=C1CCN(C(=O)OC(C)(C)C)CC1 2382865 XQMRPSPROJYUJM-UHFFFAOYSA-N 211.305 2.964 0 40 BFAB CN[C@H](C)Cc1c2c(cc3c1CCC3)CCC2 4128891 XGQVVLYMEYREAZ-LLVKDONJSA-N 229.367 2.814 0 40 BFAB CC(C)=C1N=C(c2ccccc2Cl)OC1=O 5001126 CHWQWVFQHSMJNM-UHFFFAOYSA-N 235.670 2.937 0 40 BFAB COc1ccc(NC(C)(C)C(=O)O)cc1Cl 8730722 UYWKQMNQQJEVLM-UHFFFAOYSA-N 243.690 2.624 0 40 BFAB c1coc(CCNc2ncnc3sccc23)c1 9255968 DGDKRTZYAIZKMS-UHFFFAOYSA-N 245.307 2.939 0 40 BFAB Cc1ccc(O)c(C(=O)Nc2ccccc2)c1 13589775 ZZNJVMSZYBNIAC-UHFFFAOYSA-N 227.263 2.953 0 40 BFAB Cc1cccc(C)c1NC(=O)CNC(C)(C)C 16473489 TXSZCDHFLZBOBA-UHFFFAOYSA-N 234.343 2.630 0 40 BFAB C1=Cc2nonc2[C@H]2C=C(c3ccccc3)N=C12 19288379 DKQGBCNSCACXNK-JTQLQIEISA-N 235.246 2.676 0 40 BFAB Cc1ccsc1CNC(=O)c1ccoc1C 25718310 ZNVMODURTXIJIC-UHFFFAOYSA-N 235.308 2.888 0 40 BFAB C[C@H]1C[C@@H]1C(=O)N1CCCc2ccccc21 32975320 HRKQJDIJINBUOC-JQWIXIFHSA-N 215.296 2.622 0 40 BFAB O=c1[nH]ccc2cc(C(F)(F)F)ccc12 33358962 VOZOQWOUOOVFSB-UHFFFAOYSA-N 213.158 2.547 0 40 BFAB in-vitro C[C@@H](NC(=O)c1ccccc1F)c1cccnc1 37486587 VDJSIXZRIXLYNT-SNVBAGLBSA-N 244.269 2.712 0 40 BFAB CC(C)C[C@@H](CO)NC1CCC(C)CC1 40773247 YEEAQNAMMIZANY-BPCQOVAHSA-N 213.365 2.562 0 40 BFAB O=C1CCc2cc(-c3cccnc3)ccc21 40829496 QNSOPUXDEXJMIY-UHFFFAOYSA-N 209.248 2.878 0 40 BFAB in-vivo C[C@H](N)CCc1ccc(C(F)(F)F)cc1 43512120 VIKDXDCISOHOLL-QMMMGPOBSA-N 217.234 2.985 0 40 BFAB COc1ccc2ccccc2c1[C@H]1C[C@@H]1CN 54586934 VLAAANYQUSUYBA-YPMHNXCESA-N 227.307 2.911 0 40 BFAB O[C@@H](CNCc1ccccc1)c1ccsc1 55063112 WMFNZCVQCSNEQQ-ZDUSSCGKSA-N 233.336 2.571 0 40 BFAB in-vitro c1cc(-c2nc(-c3ccsc3)no2)ccn1 72274894 PITAYVOWBUBSSL-UHFFFAOYSA-N 229.264 2.860 0 40 BFAB Cc1ccc(Br)c(C=O)c1F 75844164 BXZCMNVTXPJOIG-UHFFFAOYSA-N 217.037 2.709 0 40 BFAB in-vitro CCC[C@@H](C)Sc1ncnc2nc[nH]c12 79001422 UIEUTOXWKHJJCB-SSDOTTSWSA-N 222.317 2.634 0 40 BFAB Brc1ccn(Cc2ccccc2)n1 88190210 QVZIWRVCENAKLV-UHFFFAOYSA-N 237.100 2.694 0 40 BFAB CCCc1nn(C/C=C/c2ccccc2)c(=O)o1 89960537 UEHJTGXBHFHATA-UXBLZVDNSA-N 244.294 2.502 0 40 BFAB CC[C@H](C)[C@H](CO)Nc1ccc(Cl)cn1 95963230 TYBNVUAADAAULD-WPRPVWTQSA-N 228.723 2.554 0 40 BFAB C[C@@H](Nc1cnn(C)c1)c1ncc(C(C)(C)C)o1 97377274 MZSDERBIOZLRJD-SECBINFHSA-N 248.330 2.879 0 40 BFAB CC[C@H](NN)c1ccc(F)c(C(F)(F)F)c1 161800754 LHNDHWHYTKDYTL-VIFPVBQESA-N 236.212 2.759 0 40 BFAB Cc1ccc2[nH]c(=O)cc(C(F)F)c2c1 225758130 IMFYSFBRSMVFBN-UHFFFAOYSA-N 209.195 2.774 0 40 BFAB O=C(O)c1cncc(Cc2ccc(F)cc2)c1 257197681 GJVLGOBBASOBDV-UHFFFAOYSA-N 231.226 2.510 0 40 BFAB CC(=O)Oc1ccccc1C(=O)CC(C)C 309337957 VZJCFXDAPRCFOV-UHFFFAOYSA-N 220.268 2.841 0 40 BFAB Cc1c(C(C)C)[nH]c2c(O)cccc2c1=O 685938420 MCSLKCMNWRDQAF-UHFFFAOYSA-N 217.268 2.666 0 40 BFAB Cc1nc2c(s1)CN(C(=O)OC(C)(C)C)C2 867599079 CVABIHGHXMMPOJ-UHFFFAOYSA-N 240.328 2.702 0 40 BFAB CCC[C@H]1C(=O)c2cccc3c2N(CCC3)C1=O 957743266 OWOVNAPBNBHYLG-LBPRGKRZSA-N 243.306 2.578 0 40 BFAB O=C(Nc1nc2ccccc2s1)C1CC1 138140 VUESFSSHPAEPBQ-UHFFFAOYSA-N 218.281 2.645 0 40 BFAB CC[C@H](C)C(=O)Nc1ccc(OC)cc1OC 373109 IXWNTEKSRFATRX-VIFPVBQESA-N 237.299 2.688 0 40 BFAB CC(C)Cn1cnc2c([nH]c3ccccc32)c1=O 525805 GMBGPRWPVUMHGY-UHFFFAOYSA-N 241.294 2.534 0 40 BFAB biogenic COc1ccc(F)cc1-c1cscn1 1520140 CDNDTAMNQHUENN-UHFFFAOYSA-N 209.245 2.958 0 40 BFAB CCCC(=O)O[C@@H]1CCC[C@H]1OC(=O)CCC 1677880 SPJZAVVYUONOPU-GHMZBOCLSA-N 242.315 2.594 0 40 BFAB Cc1ccc(C(=O)[C@H]2CCC[C@H]2C(=O)O)cc1C 2245630 UPTWQRAGCGYSIG-QWHCGFSZSA-N 246.306 2.987 0 40 BFAB O=C(COC(=O)C1CC1)c1ccc(Cl)s1 3310374 XVPDGFPDYNXDNJ-UHFFFAOYSA-N 244.699 2.537 0 40 BFAB Cc1noc(C)c1COC(=O)c1ccccc1F 3378810 KFHMUSXRPGQKOQ-UHFFFAOYSA-N 249.241 2.788 0 40 BFAB C[C@@H]1O[C@@H](C)O[C@H]2c3ccccc3C[C@@H]12 3995520 SHWFPOIJJLMZKA-FQPOAREZSA-N 204.269 2.681 0 40 BFAB O=C(NC1CC1)c1cc(Cl)nc2ccccc12 4218894 ISHDXJSQWOQIHZ-UHFFFAOYSA-N 246.697 2.780 0 40 BFAB COc1ccc([C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)cc1 5046203 PQZDRNSTQPNVIV-WVWOOGAGSA-N 244.290 2.686 0 40 BFAB Cc1cccnc1C[C@H](O)c1ccccc1 17301977 SKZOTGYAVIPHBM-AWEZNQCLSA-N 213.280 2.666 0 40 BFAB Nc1cc(Cl)ccc1NC(=O)C1CCC1 20157169 VWJZLIBKSGPWEJ-UHFFFAOYSA-N 224.691 2.661 0 40 BFAB CCCCNC(=O)Nc1cccc2c1CCCN2 20256860 MYFUMNJIXBEHFF-UHFFFAOYSA-N 247.342 2.966 0 40 BFAB in-vitro CCCCNC(=O)N[C@@H](C)c1ccc(F)cc1 20538234 CMJYJMMXQXOVMD-JTQLQIEISA-N 238.306 2.986 0 40 BFAB c1ccc(C2=NCCN3[C@@H](c4ccccc4)[C@H]23)cc1 23243461 QVPANXFAXRPUEK-YGYNJSFOSA-N 248.329 2.915 0 40 BFAB CNC(=O)/C(=C/c1ccccc1)c1ccccc1 33680355 YCSRDODZHPHQMY-NTCAYCPXSA-N 237.302 2.973 0 40 BFAB CCOC(=O)c1sc(NC(=O)CC)cc1C 35151838 SVIVWHLDEUTZRY-UHFFFAOYSA-N 241.312 2.582 0 40 BFAB Cc1nc2ccc(Br)cn2c1C 36259700 AXJKPHYIERDRBX-UHFFFAOYSA-N 225.089 2.714 0 40 BFAB in-vitro Cc1cc(C)cc(CNC[C@@H]2CCCOC2)c1 38076794 VTPPEJYXTCFIRF-AWEZNQCLSA-N 233.355 2.820 0 40 BFAB O=C(N1CCCC1)C1(c2ccc(Cl)cc2)CC1 38247320 BXSFGZLHJMXZTG-UHFFFAOYSA-N 249.741 2.994 0 40 BFAB Cc1cccc(-c2c(N)n[nH]c2C2CC2)c1 41227022 RNXYGRGYXHLERL-UHFFFAOYSA-N 213.284 2.845 0 40 BFAB O=C(O)C1(c2ccc(F)cc2Cl)CC1 62606977 KYWPMSAPKNLVFN-UHFFFAOYSA-N 214.623 2.595 0 40 BFAB CCCN(CCC)c1ccc(CNC)c(C)n1 72224342 WFLZMEVLUVUINP-UHFFFAOYSA-N 235.375 2.736 0 40 BFAB CCCCCNC(=O)NCCNc1ccccc1 72312644 WUJBYVVFIUHCRU-UHFFFAOYSA-N 249.358 2.588 0 40 BFAB Cc1ccc(NC(=O)c2cccnn2)cc1Cl 82324973 GCHXVLUSBYJHNA-UHFFFAOYSA-N 247.685 2.691 0 40 BFAB COc1cccc(CNc2nccc(Cl)n2)c1 83381831 YCNWHWGJQGPTOP-UHFFFAOYSA-N 249.701 2.751 0 40 BFAB CCCCNC(=O)c1cccc2cccnc12 84744608 DTVYVTJSOLPRBA-UHFFFAOYSA-N 228.295 2.765 0 40 BFAB O=C(Nc1ccc(CO)cc1)Oc1ccccc1 85202826 SIBJWYRAGSRLGK-UHFFFAOYSA-N 243.262 2.790 0 40 BFAB O=C(O)[C@@H]1C[C@H]2C[C@@H]1C1(C2)SCCCS1 85385495 NQHGJCNDFGOZFI-YIZRAAEISA-N 244.381 2.684 0 40 BFAB Cc1cc(C(=O)O)c(F)cc1C(F)(F)F 91252097 FRUQXARTJIZTHE-UHFFFAOYSA-N 222.137 2.851 0 40 BFAB COC(=O)c1nc(-c2ccccc2)sc1C 95471969 HSRAPPXGUGYGFT-UHFFFAOYSA-N 233.292 2.905 0 40 BFAB Nc1ncc(C(=O)c2ccccc2Cl)s1 95929141 WNBJUELAADNHAU-UHFFFAOYSA-N 238.699 2.610 0 40 BFAB CC[C@@H](COC)N[C@H](c1nccs1)C1CC1 95968585 LHQINNQGYIBAFJ-QWRGUYRKSA-N 240.372 2.609 0 40 BFAB OCC1(Oc2ccc3ccccc3c2)CC1 96511793 BXBXJOHBJFFSFY-UHFFFAOYSA-N 214.264 2.744 0 40 BFAB CC(=O)NC12CC3C[C@@](C)(C1)C[C@@](C)(C3)C2 100058397 WVIRSYCDAYUOMJ-CEUNDQEZSA-N 221.344 2.872 0 40 BFAB CCOC(=O)/C(C)=C(/C)Nc1ccccc1 100330128 ZRFZLKRWJQAYMX-KHPPLWFESA-N 219.284 2.956 0 40 BFAB O=C(O)/C(S)=C\c1ccccc1Cl 100440655 MDRWHBKNJMNZNG-VMPITWQZSA-N 214.673 2.695 0 40 BFAB C[C@H]1CCCN([C@H](CN)c2ccccc2F)C1 108018401 VPHYZNNRJQDDPC-SMDDNHRTSA-N 236.334 2.557 0 40 BFAB O=C(O)c1csc2cc([N+](=O)[O-])ccc12 146863187 NPEOZMXABVSKFX-UHFFFAOYSA-N 223.209 2.508 0 40 BFAB Cc1ccc([C@@H](C)N[C@@H](C)c2nnc(C)o2)o1 182569628 CKUMTQYWJNBSHV-BDAKNGLRSA-N 235.287 2.691 0 40 BFAB C[C@@H]1CC[C@H](O)[C@]2(C)CC[C@H](C(C)(C)O)C=C12 252516973 YNBRPGOINKTYTG-REJLFOLJSA-N 238.371 2.891 0 40 BFAB biogenic,in-vitro Cc1nc2cccc(F)n2c1Br 258728775 BNERTPPFJZMEAX-UHFFFAOYSA-N 229.052 2.544 0 40 BFAB COc1cccc2cc(N)c(OC(C)C)nc12 685938349 JABIUEPZTWQFNG-UHFFFAOYSA-N 232.283 2.613 0 40 BFAB CC(=O)OCCC1=CC[C@@H]2C[C@H]1C2(C)C 519935 AWNOGHRWORTNEI-VXGBXAGGSA-N 208.301 2.932 0 40 BFAB COc1cc(OC)c(Br)cc1C 1583318 AJPBBMWKTUWZHX-UHFFFAOYSA-N 231.089 2.775 0 40 BFAB CCN1CCC[C@@](C(=O)O)(c2ccccc2)CC1 1593297 SMWPYIOYAPXLAH-HNNXBMFYSA-N 247.338 2.515 0 40 BFAB CCC(=O)OCC(=O)[C@]1(C)CC[C@@H](C)C1(C)C 3846175 RQELJROWWRKCPP-YGRLFVJLSA-N 240.343 2.971 0 40 BFAB biogenic CC[C@]1(C)C[C@@](CCN)(C(C)C)CCO1 4073249 IEYBMVZVJJBDIT-OLZOCXBDSA-N 213.365 2.957 0 40 BFAB biogenic CC(C)C(=O)Nc1nc2c(s1)CCCC2 4746876 LTPCZCXSURCJHK-UHFFFAOYSA-N 224.329 2.616 0 40 BFAB O=C(Nc1ccncc1)c1cc(F)cc(F)c1 5694504 DOWACLMMUHCCBK-UHFFFAOYSA-N 234.205 2.612 0 40 BFAB CCCCCCNc1ncc(/C=C/C(=O)O)cn1 8730922 BRUYDQPKNSDJCP-VOTSOKGWSA-N 249.314 2.567 0 40 BFAB CCn1c(S)nnc1-c1cc2ccccc2o1 9095745 NEMSSQBVXXYPOR-UHFFFAOYSA-N 245.307 3.000 0 40 BFAB O=C(/C=C/c1nc2ccccc2s1)N1CCC1 9639849 KMYMFNBFACVGNF-VOTSOKGWSA-N 244.319 2.542 0 40 BFAB CC(C)(C)[C@@H](O)/C=C\c1ccc2c(c1)OCO2 11726811 IBLNKMRFIPWSOY-VGVVRCBHSA-N 234.295 2.836 0 40 BFAB CC[C@H](C)NC(=O)[C@H]1Cc2ccccc2S1 12894328 ZWLUHHNAQOLHGM-JOYOIKCWSA-N 235.352 2.618 0 40 BFAB CC[C@H](Nc1cc(Cl)ccc1C)C(=O)O 15418109 PXVWCYWMASPTDO-VIFPVBQESA-N 227.691 2.924 0 40 BFAB C[C@H]1CCC[C@H](NC(=O)Cc2cccc(N)c2)C1 20155078 JANYZCITEHGONU-FZMZJTMJSA-N 246.354 2.506 0 40 BFAB Cc1cc(NC(=O)c2cccs2)ccc1N 20157103 AMPCNYDULYTOAB-UHFFFAOYSA-N 232.308 2.891 0 40 BFAB CN[C@@H](C)c1ccccc1OC(F)F 21954197 ZGZVCMBNUHRONP-ZETCQYMHSA-N 201.216 2.568 0 40 BFAB COC(=O)c1ccc(-c2ccccc2)o1 21988875 RQWRCTAAHRAAGB-UHFFFAOYSA-N 202.209 2.733 0 40 BFAB in-vitro COC(OC)c1cc(F)ccc1Br 28278272 QXKYDQAKIKTAMF-UHFFFAOYSA-N 249.079 2.880 0 40 BFAB Oc1cc(C(F)(F)F)nc(C(F)(F)F)c1 32202116 LISDCCRNXLFXDB-UHFFFAOYSA-N 231.095 2.825 0 40 BFAB COC(=O)c1cc2cc(OC(C)C)ccc2[nH]1 34925323 IJFTXEWKRQOJCV-UHFFFAOYSA-N 233.267 2.742 0 40 BFAB in-vitro CCNc1cccc(I)c1 34937881 WCYOGLOQLHPTRU-UHFFFAOYSA-N 247.079 2.723 0 40 BFAB CCSCC(=O)c1c(F)cccc1F 37353244 XVZOBAVHEHGMSV-UHFFFAOYSA-N 216.252 2.901 0 40 BFAB Nc1ccc(-c2nc3c(F)cccc3[nH]2)cc1 37442363 MBKPGWFKTVJBOJ-UHFFFAOYSA-N 227.242 2.951 0 40 BFAB in-vitro CCc1n[nH]c(-c2cccc(Cl)c2)n1 40175799 GIEPTGNPUWLGDG-UHFFFAOYSA-N 207.664 2.688 0 40 BFAB Cc1ccsc1C(=O)N(C)[C@H](C)C1CC1 40490142 KTJKUAQCZNVJMR-SECBINFHSA-N 223.341 2.927 0 40 BFAB CS[C@@H](C)C(=O)N[C@@H](C)c1cccs1 40523439 IBDASKUUINCBKB-YUMQZZPRSA-N 229.370 2.677 0 40 BFAB CC(C)Nc1ncnc2c(F)cccc12 41471119 DLZOGFWOGWVCRY-UHFFFAOYSA-N 205.236 2.589 0 40 BFAB Cc1cc(SCc2csc(C)n2)ncn1 49026060 VOOJMNBYIBPYSV-UHFFFAOYSA-N 237.353 2.842 0 40 BFAB COc1cc(Cl)cc([N+](=O)[O-])c1Cl 59595260 NJZMXYAVRVWZAS-UHFFFAOYSA-N 222.027 2.910 0 40 BFAB CC(=O)N1CCC[C@H]1c1cccnc1OC(C)C 72211952 DUPGGCFPGICMFT-ZDUSSCGKSA-N 248.326 2.552 0 40 BFAB O=C(Cc1ccccc1Cl)Nc1cnoc1 75170845 BTSQOVDFQSYBRA-UHFFFAOYSA-N 236.658 2.509 0 40 BFAB O=Cc1cc(Br)c(F)c(F)c1F 75914836 KLHWHISBCFWUQU-UHFFFAOYSA-N 238.990 2.679 0 40 BFAB CS[C@@H]1CCC[C@H]1NC1CCSCC1 95423378 RCWFZMHQUJWMAI-GHMZBOCLSA-N 231.430 2.756 0 40 BFAB C[C@H](O)C1(c2ccc(F)c(Cl)c2)CC1 95739139 RQZJHRVANZBTPE-ZETCQYMHSA-N 214.667 2.892 0 40 BFAB Cc1cc(OCCC(C)C)ccc1CO 95739757 ANPNAOKBGMHGHY-UHFFFAOYSA-N 208.301 2.912 0 40 BFAB C[C@@H](SCC1CCCC1)C(=O)NC1CC1 95940641 XNXWKEMSAZHDET-SECBINFHSA-N 227.373 2.577 0 40 BFAB CC(=O)OCCCC(F)(F)C(F)(F)F 98210598 YQFVFYFVUFYODN-UHFFFAOYSA-N 220.137 2.527 0 40 BFAB C[C@@H](CCn1cccn1)NC[C@@H]1CC=CCC1 158716883 XDPMWDROVGNJFV-UONOGXRCSA-N 233.359 2.608 0 40 BFAB CN1CCCC[C@H]1CCSC[C@@H]1CCCO1 252502379 UPIPIUJGWUTVCW-STQMWFEESA-N 243.416 2.773 0 40 BFAB CC1=CCC[C@H](C)[C@@H]1CNC[C@@H](C)C[C@H](C)O 252587628 ZNGVJEXTUVATIK-CYUUQNCZSA-N 239.403 2.975 0 40 BFAB C[C@@H](c1noc(Cc2ccc(O)cc2)n1)C1CC1 275006532 PAGXVNJUQVJWRC-SECBINFHSA-N 244.294 2.880 0 40 BFAB CC(C)(C)OC(=O)[C@H]1C[C@@H]2CC(=O)C[C@]2(C)C1 953103080 YAXSRTVHTJNWJW-RBZYPMLTSA-N 238.327 2.724 0 40 BFAB CSc1nc(C)cc(C)[n+]1-c1ccccc1 387775 MQDCMOKJNFYRGQ-UHFFFAOYSA-N 231.344 2.697 0 40 BFAB C[C@H]1CCc2[nH]c3ccc(C(=O)O)cc3c2C1 914877 WKBUQRILUMGUTL-QMMMGPOBSA-N 229.279 2.991 0 40 BFAB in-vitro O=C1C[C@H](c2ccccc2)N(c2ccccc2)N1 1514961 CBDMBBKKGFKNCA-CQSZACIVSA-N 238.290 2.669 0 40 BFAB biogenic CN(C)c1ccccc1[C@H]1CCCC[C@H]1O 1715791 KGLBGZFYIVMFEG-TZMCWYRMSA-N 219.328 2.771 0 40 BFAB C[C@H]1c2[nH]c3ccccc3c2C[C@@H]1C(=O)O 1753216 PURWTPKEGVGRRB-APPZFPTMSA-N 215.252 2.528 0 40 BFAB O=C1/C(=C\c2ccccc2)N=C2CCCCCN12 3198464 WCOFYCYVMITNMB-ACCUITESSA-N 240.306 2.842 0 40 BFAB COC(=O)c1ccc(Br)c([N+]#N)c1 4726850 KASLBIQJFVANRC-UHFFFAOYSA-N 242.052 2.720 0 40 BFAB CC(=O)c1c[nH]c(C(=O)Nc2cccc(F)c2)c1 7944846 YBQJEFOTTRFRNW-UHFFFAOYSA-N 246.241 2.609 0 40 BFAB COc1ccc(NC(=O)CCC2CCCC2)cn1 8018802 OVOLOOSOLJFAEK-UHFFFAOYSA-N 248.326 2.999 0 40 BFAB CCN(CC)C(=O)[C@H](C)Oc1ccc(C)cc1C 8479773 KOIHIYGUMWJDAB-ZDUSSCGKSA-N 249.354 2.939 0 40 BFAB CC1CCN(CCOc2cccc(C=O)c2)CC1 9261378 ZVQLSQMHJMSIRF-UHFFFAOYSA-N 247.338 2.610 0 40 BFAB Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2 11847737 ZVMOKAHTZAFWTB-UHFFFAOYSA-N 244.319 2.533 0 40 BFAB Cc1c2c(C(F)(F)F)cc(Cl)nc2nn1C 12398071 GHYCXHDYCSSEPU-UHFFFAOYSA-N 249.623 2.949 0 40 BFAB COc1ccccc1[C@H](C)NC(=O)c1ccoc1 12921892 JAOYFYNSZBQETP-JTQLQIEISA-N 245.278 2.779 0 40 BFAB C[C@@H](NC(=O)Cc1c[nH]c2ccccc12)C1CC1 12976871 YXLWMYLOOIVHFV-SNVBAGLBSA-N 242.322 2.625 0 40 BFAB Cc1ccc(NC(=O)c2noc(C)c2C)cc1 13641098 PZVRZEOCSYGCNB-UHFFFAOYSA-N 230.267 2.852 0 40 BFAB COc1ccc(OCC[C@H]2CCCCN2)cc1 14632334 PZNNPWFTMCDFOA-GFCCVEGCSA-N 235.327 2.606 0 40 BFAB CCC(=O)c1ccc(OCc2nc(C)no2)cc1 20253809 WIBUUOHWJMKXCT-UHFFFAOYSA-N 246.266 2.550 0 40 BFAB CCCNC(=O)CSCc1ccc(F)cc1 30868968 WPUPCGWJFAIGQG-UHFFFAOYSA-N 241.331 2.585 0 40 BFAB CCOc1ccc([C@H]2C[C@H]2C(C)=O)cc1 31829295 OQDFOQMKXLHOBD-QWHCGFSZSA-N 204.269 2.778 0 40 BFAB CCCn1nccc1C(=O)Nc1ccccc1 32648425 BCGRZVOUMNRPMJ-UHFFFAOYSA-N 229.283 2.545 0 40 BFAB CCCNC(=O)c1cc2ccc(F)cc2nc1C 32856045 IKNGZNJJXFJRDH-UHFFFAOYSA-N 246.285 2.822 0 40 BFAB CCc1ccc(CNC(=O)c2ccco2)s1 40108986 RHYGSQKGPBTXQA-UHFFFAOYSA-N 235.308 2.834 0 40 BFAB C[C@H]1CCCC[C@@H]1NCCN1CCCCC1 41582425 LTYYIVCKEHVRHA-KBPBESRZSA-N 224.392 2.641 0 40 BFAB O=C(O)c1ccc(Oc2ccncc2)cc1 42304341 WYGAJMPVZCYTIA-UHFFFAOYSA-N 215.208 2.572 0 40 BFAB in-vitro OCc1cc(Cl)nc(-c2ccccc2)c1 44672236 JDVNNWGIFOTXQS-UHFFFAOYSA-N 219.671 2.894 0 40 BFAB CCc1ccc(C(=O)c2cccc(OC)n2)cc1 45028743 CRGFGIIJPIPFNF-UHFFFAOYSA-N 241.290 2.884 0 40 BFAB CC1CCN(Cc2nnc(C(C)(C)C)o2)CC1 46837884 RLQLHDXWBWYYDK-UHFFFAOYSA-N 237.347 2.599 0 40 BFAB CCCN(CC1CC1)C(=O)[C@H]1CC=CCC1 52934464 WSLRNUVOKQBCEY-ZDUSSCGKSA-N 221.344 2.991 0 40 BFAB Nc1cccc(CC[C@H](O)c2ccccc2)c1 57218489 UVHBKKGZWQTGLV-HNNXBMFYSA-N 227.307 2.935 0 40 BFAB in-vitro CCCC(C)(C)NC(=O)c1ccc2nccn2c1 57837481 LAJZQSPTVZFAND-UHFFFAOYSA-N 245.326 2.643 0 40 BFAB N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 57955873 PXTWNVJTRKQTQZ-SECBINFHSA-N 245.153 2.921 0 40 BFAB in-vitro CC[C@H](C)CN(C)C(=O)c1ccc2c(c1)OCO2 71894194 ZWJZRMRMRWWGKS-JTQLQIEISA-N 249.310 2.533 0 40 BFAB CN1CCC[C@H]1c1ccc(N2CCCCC2)nc1 72216028 KFZYHJKUTLGMLP-AWEZNQCLSA-N 245.370 2.839 0 40 BFAB CCN1CCCC[C@@H]1c1ccncc1C 72219529 BDLXUJHDKXKZCM-CYBMUJFWSA-N 204.317 2.937 0 40 BFAB Cc1noc(C)c1-c1[nH]ncc1-c1ccncc1 72398424 JYTPHNOPQGAILG-UHFFFAOYSA-N 240.266 2.744 0 40 BFAB Cc1ccccc1NC(=O)CC1CCN(C)CC1 74920982 WUFCCWBDVBRJQF-UHFFFAOYSA-N 246.354 2.665 0 40 BFAB c1cncc(-c2csc(-c3cnccn3)n2)c1 92196893 WENFRIGLRSWOQO-UHFFFAOYSA-N 240.291 2.662 0 40 BFAB CC1(C)COCCN1C(=O)C1CCCCCC1 95350476 BFZKEGRBPNWCPV-UHFFFAOYSA-N 239.359 2.594 0 40 BFAB CSCC[C@@H](C)N(C)c1nc(C)cc(C)n1 95972058 UIROGISJRVHYCM-LLVKDONJSA-N 239.388 2.671 0 40 BFAB Cc1ccoc1[C@H](C)NCC[C@@H]1CCCO1 95978102 PMMVDUHQBOMIKS-RYUDHWBXSA-N 223.316 2.808 0 40 BFAB Cc1nccc(N2CCCCCCC2)n1 97009492 ZBABVDQCWDIOID-UHFFFAOYSA-N 205.305 2.556 0 40 BFAB O=C(c1ccsc1)N1Cc2ccccc2C1 105979554 KZYFHNDGGCCRDZ-UHFFFAOYSA-N 229.304 2.904 0 40 BFAB CC(C)n1cc(C(=O)OCC2CC=CC2)cn1 195577039 QEPPRSGMYKPRIU-UHFFFAOYSA-N 234.299 2.587 0 40 BFAB C[C@H](Cc1ccoc1)NC(=O)Cc1ccsc1 206718379 FSGKTIIGUKOVID-SNVBAGLBSA-N 249.335 2.631 0 40 BFAB COC(=O)c1cccc2ccc(Cl)nc12 220862296 XRXFZRFBGHMMDH-UHFFFAOYSA-N 221.643 2.675 0 40 BFAB COc1ccc([C@H](O)c2ccc(C)cc2)cc1N 226292487 CLEOPOHSIDDXNO-OAHLLOKOSA-N 243.306 2.668 0 40 BFAB CCc1cc(N2CC3CC2(C)C3)ccn1 664695657 NFQIIYAWPCRLMZ-UHFFFAOYSA-N 202.301 2.633 0 40 BFAB O=C(O)c1ccc(NNc2ccccc2)cc1 1689689 BNCKOLYTMSRHTH-UHFFFAOYSA-N 228.251 2.824 0 40 BFAB CCOC(=O)c1ccccc1C(=O)C(F)(F)F 2378547 ZBOUORJFHHWAHY-UHFFFAOYSA-N 246.184 2.608 0 40 BFAB CCOC(=O)CCCCC[C@H]1CCCC1=O 2584608 LJZYHOVSZOHASC-NSHDSACASA-N 226.316 2.869 0 40 BFAB CCCCC(=O)Nc1nnc(C(C)(C)C)s1 3016571 SEQRWLPILMYBIX-UHFFFAOYSA-N 241.360 2.964 0 40 BFAB Cc1nn(C(F)F)c(C)c1Br 3281478 ZVKCFFWWIKLQLN-UHFFFAOYSA-N 225.036 2.658 0 40 BFAB in-vitro CC(C)[C@H]1CC[C@H](C)C[C@H]1OCC(=O)O 4276963 CILPHQCEVYJUDN-HBNTYKKESA-N 214.305 2.548 0 40 BFAB CCC1=NO[C@@H](C)[C@H]1C(=O)OCc1ccccc1 5759400 UVJRUSOTHJUKSM-GXFFZTMASA-N 247.294 2.531 0 40 BFAB CCCNC(=O)[C@@H](CC)Oc1ccccc1F 8050233 FVOVKAQEIHVYQJ-LLVKDONJSA-N 239.290 2.509 0 40 BFAB CCN(CC)C(=O)c1ccc(C)c(F)c1 12973456 IAEBCQWGNGZHMD-UHFFFAOYSA-N 209.264 2.616 0 40 BFAB CC(=O)[C@H](C)CCCCC[C@H]1C=CC(=O)O1 14490846 MSOHKYKACHEERC-PWSUYJOCSA-N 224.300 2.644 0 40 BFAB biogenic,in-vitro C[C@@H]1CCC[C@@H](NC(=O)Cc2cccc(N)c2)C1 20155073 JANYZCITEHGONU-BXUZGUMPSA-N 246.354 2.506 0 40 BFAB COc1ccc(N)cc1C(=O)OC1CCCCC1 20155986 TYUFHHSIJBUGRL-UHFFFAOYSA-N 249.310 2.767 0 40 BFAB CCCNC(=O)[C@@H](CC)Oc1ccc(C)c(C)c1 20450904 AOSUYYYBWHNGIB-CQSZACIVSA-N 249.354 2.987 0 40 BFAB Cc1cccc(C(=O)NC2CCCCCC2)n1 24432189 YRZSHMKVLBCBBZ-UHFFFAOYSA-N 232.327 2.843 0 40 BFAB c1ccc(-c2cnc([C@@H]3CCCN3)[nH]2)cc1 32628162 VDUOVBVLPCYKNE-NSHDSACASA-N 213.284 2.501 0 40 BFAB Nc1ccc(-c2noc(-c3ccccc3)n2)cc1 33798150 XPTIIOBBBMJBKM-UHFFFAOYSA-N 237.262 2.986 0 40 BFAB C=CC(=O)Nc1ccccc1Br 34101521 SQBJWIXWJHGHDP-UHFFFAOYSA-N 226.073 2.574 0 40 BFAB Cc1cc(Br)c2cnn(C)c2c1 36533428 IRRYVOVYPSBYMW-UHFFFAOYSA-N 225.089 2.644 0 40 BFAB CC(=O)c1cc(Br)c(Cl)cc1N 40441638 CNACMPFJLFHELK-UHFFFAOYSA-N 248.507 2.887 0 40 BFAB COCC(=O)c1ccc(OC(C)(C)C)cc1 43504708 ZYZLNKQNSCJINP-UHFFFAOYSA-N 222.284 2.693 0 40 BFAB Cc1cc(C(=O)N(C)[C@@H](C)c2ccccc2)[nH]n1 48608724 UYMQHAMUSXYESZ-NSHDSACASA-N 243.310 2.551 0 40 BFAB O=C(O)[C@@H](Cc1ccccc1O)c1ccccc1 58001474 PCFIJEDQRIUOAT-ZDUSSCGKSA-N 242.274 2.803 0 40 BFAB Cc1cc([C@H](N)C(F)(F)F)ccc1F 71510202 ZBOWUJJDCNGTEL-QMMMGPOBSA-N 207.170 2.696 0 40 BFAB CCCN1CCCC[C@H]1c1cnc(N)cc1C 72218519 UFYAJXSBHKJIKJ-ZDUSSCGKSA-N 233.359 2.909 0 40 BFAB CO[C@H](C)c1ccc([C@H](C)C(=O)O)cc1 72220135 VMUCNJMJEDTACK-DTWKUNHWSA-N 208.257 2.582 0 40 BFAB COc1ccc(Nc2ncnc3[nH]ccc23)cc1 82359186 DJHHJFCJDPLIQB-UHFFFAOYSA-N 240.266 2.710 0 40 BFAB CCOC(=O)c1ccc2c(c1)CCCC2 82724642 WDTABKSKVASQGS-UHFFFAOYSA-N 204.269 2.742 0 40 BFAB Cc1cc(C)c(C(=O)N2C[C@H]3CCCC[C@H]3C2)[nH]1 89568585 PQKABQKWTLQSLZ-BETUJISGSA-N 246.354 2.894 0 40 BFAB O=Cc1ccccc1COC1CCCC1 95738604 IVSFLDPYGZYFLR-UHFFFAOYSA-N 204.269 2.958 0 40 BFAB Cc1cc(F)ccc1C(=O)Nc1ccncc1F 95979526 JLJGPVVCGKBYIE-UHFFFAOYSA-N 248.232 2.921 0 40 BFAB CS[C@@H]1CCCC[C@@H]1NC(=O)NC1CCC1 98012732 BFVWTHJVGQKKFP-WDEREUQCSA-N 242.388 2.512 0 40 BFAB NCC1(Cc2ccncc2)CCC(F)(F)CC1 98213613 BILIJJJANBFGMU-UHFFFAOYSA-N 240.297 2.779 0 40 BFAB Oc1cc2cc(Br)ccc2[nH]1 100347035 FLHJIDRCBVJBAQ-UHFFFAOYSA-N 212.046 2.636 0 40 BFAB COc1ccc(OC)c2c1[C@@H]1C[C@H]3[C@@H]2[C@@H]13 104289288 VTSCFAUQUCVNCR-SDMYNJMZSA-N 202.253 2.534 0 40 BFAB N=C1N=C/C(=N/Nc2ccccc2Cl)S1 111910459 HKOJXKJFDXYAKQ-QTWGFOEFSA-N 238.703 2.818 0 40 BFAB C[C@@H](N[C@@H]1CCCC[C@@H]1N)c1ccccc1 147095413 QQTZYYSHFALROI-KWCYVHTRSA-N 218.344 2.607 0 40 BFAB Cc1ccc(C(=O)N2[C@H]3C=CC[C@H]2CC3)s1 206916921 ANTAPMGQXOSIAE-QWRGUYRKSA-N 233.336 2.990 0 40 BFAB Fc1ccccc1-c1noc(-c2cnco2)n1 216618031 PGIGYXKDWDTOJX-UHFFFAOYSA-N 231.186 2.531 0 40 BFAB Cc1ccc(NC(=S)NCCC(C)C)nc1 225381241 GFVOIKRXHGKYBJ-UHFFFAOYSA-N 237.372 2.723 0 40 BFAB CCn1c(CCc2ccccc2)ccc1C(=O)O 226028253 ABGKWMCZQCIQRN-UHFFFAOYSA-N 243.306 2.991 0 40 BFAB Cc1ccc([C@@H](O)c2ccc(N)c(C)c2)cc1 226292925 VFHNLJKDBYHJJX-OAHLLOKOSA-N 227.307 2.967 0 40 BFAB CSc1nc(C)cc(N2C[C@H]3CCC[C@H]3C2)n1 1889073846 AQWKBWWOYAKBSX-PHIMTYICSA-N 249.383 2.743 0 40 BFAB Oc1nc(SCC2CC2)nc2c1CCCC2 2086918796 OWJCOIURRCYJTF-UHFFFAOYSA-N 236.340 2.563 0 40 BFAB CC(=O)N(C)c1ccc(Cl)cc1Cl 128993 NVSSRRQIUAFBIU-UHFFFAOYSA-N 218.083 2.976 0 40 BFAB CC(=O)N(c1ccccc1)c1nc(C=O)cs1 382975 UPSVWABECCOHRT-UHFFFAOYSA-N 246.291 2.640 0 40 BFAB [O-][N+]1=N[C@H]2CCCC[C@@H]2N1OCc1ccccc1 500347 NCRUWSXQSHNFIR-STQMWFEESA-N 247.298 2.623 0 40 BFAB CC(C)[C@H](C)OC(=O)Nc1cccc(O)c1 1756459 CFOBIHALQYNBEV-VIFPVBQESA-N 223.272 2.985 0 40 BFAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1C[C@H]1C 5696402 ODKGPKDUWUIWBK-MBNYWOFBSA-N 231.339 2.780 0 40 BFAB Cc1cc(C2=CSC3=NCCN23)ccc1F 5793065 GZIFUWLBZUFNOM-UHFFFAOYSA-N 234.299 2.851 0 40 BFAB C[C@@H](NC(=O)c1ccc(F)cc1)c1ccncc1 6715492 ULLOZPDGSRFNLU-SNVBAGLBSA-N 244.269 2.712 0 40 BFAB O=C(c1ccsc1)N1CCc2ccccc21 9156019 ZPBWQXTYFODNRA-UHFFFAOYSA-N 229.304 2.951 0 40 BFAB C[C@@H](N)CCc1ccc(Br)cc1 11631311 CVIOYLYCNCWKGX-MRVPVSSYSA-N 228.133 2.729 0 40 BFAB in-vitro NC[C@@H](c1c[nH]c2ccccc12)C(F)(F)F 12360160 ROBYHWXPMKUOAE-VIFPVBQESA-N 228.217 2.773 0 40 BFAB in-vitro C[C@@H](NC(=O)c1n[nH]cc1Cl)c1ccccc1 12649522 ZGLSUEOBTSRJBL-MRVPVSSYSA-N 249.701 2.554 0 40 BFAB c1ccc(COCC[C@@H]2CCCCN2)cc1 14632317 HPQBCXGZMFRXMO-AWEZNQCLSA-N 219.328 2.735 0 40 BFAB CCOc1ccccc1[C@@H](C)NC[C@@H]1CCCO1 19963770 ULLNWEZOXSSGKJ-OLZOCXBDSA-N 249.354 2.915 0 40 BFAB Cc1ccc(OC(F)F)c([C@@H](C)O)c1 21951627 PPTCZXPJMACSMB-SSDOTTSWSA-N 202.200 2.650 0 40 BFAB in-vitro c1ccc2c(c1)CCC[C@@]21CCCNC1 23508972 LMWZSFKRLLPFGE-AWEZNQCLSA-N 201.313 2.644 0 40 BFAB in-vitro CCOC(=O)c1ccc(-c2ccncc2)cc1 34526936 BOYYUMQANAFKKS-UHFFFAOYSA-N 227.263 2.925 0 40 BFAB NC[C@H]1C[C@H]1c1cccc(Br)c1 34809178 MRQUSUULKJTBOR-SCZZXKLOSA-N 226.117 2.511 0 40 BFAB O[C@H]1CCCC[C@H]1N1CCCc2ccccc21 37693774 YYBGJBFHLQOMBN-CABCVRRESA-N 231.339 2.743 0 40 BFAB CCOC(=O)c1oc2cc(OC)ccc2c1C 39194273 LCPIRYIAFJZJLZ-UHFFFAOYSA-N 234.251 2.927 0 40 BFAB O=C(CCC1CCCCC1)N1CCCC1 39961079 XBJWHVSUJLMGPK-UHFFFAOYSA-N 209.333 2.969 0 40 BFAB CC(C)CCNC(=O)c1c(F)cccc1F 42140372 RAGUTWSYCWGBNA-UHFFFAOYSA-N 227.254 2.741 0 40 BFAB CCC(=O)NCc1ccc2ccccc2c1 45201185 DCWXCLSGSDNKGX-UHFFFAOYSA-N 213.280 2.866 0 40 BFAB COC(=O)c1ccc(C(F)(F)F)c(OC)c1 47202414 NIULCUPINDSNFF-UHFFFAOYSA-N 234.173 2.501 0 40 BFAB CCc1ccc([C@@H](CNC)OC(C)C)cc1 62711740 LHDLYCLPSRNDBB-CQSZACIVSA-N 221.344 2.935 0 40 BFAB CC[C@](C)(O)CNCc1ccc(SC)cc1 69896232 NEEIUYCUKZGCCM-ZDUSSCGKSA-N 239.384 2.659 0 40 BFAB CC(C)CNc1ncccc1[C@H]1CCCN1C 72213240 NNHAVFOERAWROM-CYBMUJFWSA-N 233.359 2.916 0 40 BFAB CC(C)(C)c1cc(C2(C(=O)O)CCCC2)no1 72220628 DCDVFGLPAXDTSL-UHFFFAOYSA-N 237.299 2.869 0 40 BFAB Cc1cc(C(=O)c2ccccc2)cnc1N(C)C 72222063 BHKCNPUGGNFZPC-UHFFFAOYSA-N 240.306 2.687 0 40 BFAB CCC(CC)NS(=O)(=O)CC1CCCCC1 72230348 SZCGVLWIOVPDBJ-UHFFFAOYSA-N 247.404 2.675 0 40 BFAB O=C(O)C[C@H](Cn1cccc1)c1ccccc1 84019354 BCSZDEQUNKRPOC-CYBMUJFWSA-N 229.279 2.747 0 40 BFAB CC(C)CNCc1cccn1CC(C)C 85584114 NWMBQLHXJPQTTK-UHFFFAOYSA-N 208.349 2.890 0 40 BFAB N[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1 86250359 MBOGMXCWDYSYPI-MNOVXSKESA-N 211.692 2.519 0 40 BFAB COC(=O)c1cc(Oc2ccccc2)ccn1 89404373 QRUFTSJJPARBPF-UHFFFAOYSA-N 229.235 2.661 0 40 BFAB Nc1c(C(F)(F)F)cncc1C(F)(F)F 91252198 IELUHBHHLAJWKF-UHFFFAOYSA-N 230.111 2.701 0 40 BFAB O=C(O)[C@H]1CC=CC[C@@H]1C(=O)c1ccc(F)cc1 95634411 UPKLGMBIFDIGBT-RYUDHWBXSA-N 248.253 2.675 0 40 BFAB O=Cc1ccc(OC[C@H]2CC2(F)F)cc1 96515600 CXZXHNYYFXLRGZ-SECBINFHSA-N 212.195 2.533 0 40 BFAB CN(Cc1cccnc1)C[C@@H]1CC=CCC1 97086380 ALQRLBYJJTTZRD-CYBMUJFWSA-N 216.328 2.870 0 40 BFAB Cc1nc(C)c(CN(C)Cc2ccncc2)s1 97113738 CZBJZXIJVIGNLY-UHFFFAOYSA-N 247.367 2.787 0 40 BFAB Cc1cc(OC(F)(F)F)c(F)cc1N 98211543 VNXZPCMKLJEVTP-UHFFFAOYSA-N 209.142 2.615 0 40 BFAB CCc1ccc(C2=N[C@@H]3C=NN=C3S2)cc1 100012045 KPXQHSZONUDTHR-SNVBAGLBSA-N 229.308 2.509 0 40 BFAB CC1(C)C(=O)[C@@]2(Br)CC[C@@]1(C)C2 103611814 ZQHHFVUVFKAHSG-VHSXEESVSA-N 231.133 2.919 0 40 BFAB CC(C)CCc1cc(NC(=O)c2ccoc2)[nH]n1 195577532 JLYDIMFBICTVBX-UHFFFAOYSA-N 247.298 2.844 0 40 BFAB CCCOc1cccc2ccc(C(=O)O)nc12 217478066 NTZJFOQOARNHNT-UHFFFAOYSA-N 231.251 2.722 0 40 BFAB Cc1ccc2c(NCCCN)ccnc2c1C 222676470 YUYSBAKEEABLHP-UHFFFAOYSA-N 229.327 2.612 0 40 BFAB N[C@@H]1CN(c2ccccc2)[C@H]1c1ccccc1 224239471 VVQBLBPWBQUFOS-CABCVRRESA-N 224.307 2.575 0 40 BFAB C[C@@H](CCC(C)(C)C)NC1CSC1 379409494 DCJCNIGLNCJPKM-VIFPVBQESA-N 201.379 2.906 0 40 BFAB O=C(c1ccno1)N1[C@H]2CC[C@H]1c1ccccc12 575607262 MZKYQGNUMIAFCW-RYUDHWBXSA-N 240.262 2.707 0 40 BFAB C[C@@H](NC(=O)c1ccncc1)c1ccccc1 142369 PXAJVLWTDLKLRV-LLVKDONJSA-N 226.279 2.573 0 40 BFAB Cc1ccc([C@H](O)c2cnc(C(C)C)n2C)cc1 372976 VYJBNUIOSKMFRF-AWEZNQCLSA-N 244.338 2.934 0 40 BFAB CC1(C)CC1(Br)Br 1565085 ISSHHAUNLBQBLL-UHFFFAOYSA-N 227.927 2.902 0 40 BFAB C[C@H](NC1=NCCO1)c1cccc2ccccc12 1627432 SCRJZRRUFDMNKH-NSHDSACASA-N 240.306 2.877 0 40 BFAB Cc1ccccc1-n1nnnc1SCC(C)C 3363071 ULOXTMFUXGEQAO-UHFFFAOYSA-N 248.355 2.719 0 40 BFAB Cc1ccccc1NC(=O)CCN1CCCCC1 5023125 RBDGTGGXVBWILG-UHFFFAOYSA-N 246.354 2.810 0 40 BFAB c1ccc2c(C3CCNCC3)nccc2c1 8436662 MUOYNIDBCUMRNP-UHFFFAOYSA-N 212.296 2.702 0 40 BFAB CCCc1c(C)nn(-c2ccc(OC)cc2)c1O 9939630 UBZNDIMNMZSIJU-UHFFFAOYSA-N 246.310 2.847 0 40 BFAB C[C@@H](CN)Oc1ccc(C(C)(C)C)cc1 11946355 MENFAMZDZKFXDF-JTQLQIEISA-N 207.317 2.710 0 40 BFAB Cc1ccc(COC[C@H]2CCCNC2)cc1 14631125 HFXLZLHUOJAKDX-AWEZNQCLSA-N 219.328 2.511 0 40 BFAB in-vitro O=c1cc(O)cc(/C=C/c2ccccc2)o1 15782989 LGSQMZHPXAWUAT-VOTSOKGWSA-N 214.220 2.516 0 40 BFAB Nc1nc2ccc(OCC(F)(F)F)cc2s1 16158509 AUASPYTYDDWIAM-UHFFFAOYSA-N 248.229 2.820 0 40 BFAB in-vitro CC(C)c1ccc([C@H](O)C(C)(C)N)cc1 19684235 PPPHAURWQYMIFI-LBPRGKRZSA-N 207.317 2.581 0 40 BFAB CC(C)NC1CCN(Cc2ccccc2)CC1 19914617 ZHROKCZDDDWWNG-UHFFFAOYSA-N 232.371 2.649 0 40 BFAB Fc1ccc(NCc2cccnc2)c(F)c1 19951810 LDRSQLVXBAGLIR-UHFFFAOYSA-N 220.222 2.972 0 40 BFAB in-vitro Cc1ccc2nc(CNC(C)(C)C)[nH]c2c1 22122051 ZQBYCHKILJOXGZ-UHFFFAOYSA-N 217.316 2.759 0 40 BFAB O=C(Nc1cccc(Cl)c1)C1CCOCC1 25131978 MJNFNIRYPHOJIV-UHFFFAOYSA-N 239.702 2.705 0 40 BFAB O=S(=O)(c1ccccc1)c1ccccc1F 32299913 LWTFRHIVHIHVCK-UHFFFAOYSA-N 236.267 2.659 0 40 BFAB C[C@H](NCc1cccnc1)c1ccccc1N 34926273 XUBSZHCJGKWUBD-NSHDSACASA-N 227.311 2.515 0 40 BFAB CN[C@H](c1cccnc1)c1ccc(F)cc1F 35491733 JBKGTSYIPQWMDJ-CYBMUJFWSA-N 234.249 2.669 0 40 BFAB in-vitro COc1ccc(C)cc1[C@@H](O)c1ccoc1 40264164 MRHKOAZDIHZKHP-ZDUSSCGKSA-N 218.252 2.678 0 40 BFAB O=C(Nc1ccccc1F)c1cscn1 41506720 CYDPFSRPUFLBOV-UHFFFAOYSA-N 222.244 2.535 0 40 BFAB C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccccn1 43046642 RUGIGKJIFDGPIU-MNOVXSKESA-N 233.315 2.782 0 40 BFAB Cc1ccsc1C(=O)C[C@@H](C)CC(=O)O 43214279 OCVGXLVMDYDEAF-SSDOTTSWSA-N 226.297 2.740 0 40 BFAB Cn1cnnc1SCCCc1ccccc1 44865766 UYYRJAMUGIEWGI-UHFFFAOYSA-N 233.340 2.540 0 40 BFAB CN(C)CC[C@@H]1CCC[C@@H]2CCCC[C@H]1N2C 45027645 XRCBEMFZCKZRLZ-SOUVJXGZSA-N 238.419 2.981 0 40 BFAB COc1ccccc1NC(=O)NCc1ccoc1 47688200 SQISBRYPBHUUGA-UHFFFAOYSA-N 246.266 2.610 0 40 BFAB CN(C)c1ccc(NC(=O)NC2CCCC2)cc1 48468873 YCFVICBQDRWMCM-UHFFFAOYSA-N 247.342 2.817 0 40 BFAB c1ccc(OCCSc2ncc[nH]2)cc1 78994772 AKGJBUUJDGKQQR-UHFFFAOYSA-N 220.297 2.581 0 40 BFAB COc1ccc(Br)c([C@H](C)O)c1 95637129 VOZQUGAJUHESFS-LURJTMIESA-N 231.089 2.511 0 40 BFAB Cc1cc(Cl)n(-c2ccc(C(=O)O)cc2)n1 96529724 UFOWFOHXLKYFSN-UHFFFAOYSA-N 236.658 2.532 0 40 BFAB C[C@@H](c1ccncc1)N(C)Cc1ccn(C)c1 97113691 SMTRZPYREUAUPP-LBPRGKRZSA-N 229.327 2.613 0 40 BFAB COCCCC(=O)OC1CCCCCC1 97364133 VTWFTDFQRIIHSZ-UHFFFAOYSA-N 214.305 2.679 0 40 BFAB COCOc1c(F)cccc1SC 143915947 ZJPPIHRAWZQBGZ-UHFFFAOYSA-N 202.250 2.530 0 40 BFAB N[C@H]1CCCC[C@@H]1Nc1ccccc1F 218861244 BUFAVRYHUICCTB-JQWIXIFHSA-N 208.280 2.508 0 40 BFAB COC(=O)CCC(=O)c1cccc(Cl)c1C 382681878 BQIXXCCZWVIEMH-UHFFFAOYSA-N 240.686 2.784 0 40 BFAB C/C(=C\c1ccccc1)CN1CC[C@H](O)C1(C)C 462871954 RSGAYMCHNRSTSG-FQNOHDAGSA-N 245.366 2.935 0 40 BFAB CC[S@@](=N)(=O)c1cccc(Br)c1 521399574 ZOCDVQLMBOSZSY-GFCCVEGCSA-N 248.145 2.875 0 40 BFAB O=C(Nc1cccs1)N1Cc2cccnc2C1 585393744 PWDLWBMKIXJSEE-UHFFFAOYSA-N 245.307 2.691 0 40 BFAB Cc1ccc(NC(=O)c2cccs2)cc1N 411393 MOENHNIOLUQALG-UHFFFAOYSA-N 232.308 2.891 0 40 BFAB Cc1cc(-c2nnc(-c3cccs3)o2)n(C)n1 2806309 IGZDWZNQXNFZAT-UHFFFAOYSA-N 246.295 2.507 0 40 BFAB C[C@H](N)CCCCCCCCC(=O)O 4026900 DWHXNKJKNIHNOI-JTQLQIEISA-N 201.310 2.539 0 40 BFAB biogenic c1ccc(OC[C@@H]2CCCN3CCCC[C@@H]23)nc1 5557644 DHUKKIFFTZDUTP-KBPBESRZSA-N 246.354 2.725 0 40 BFAB biogenic Cc1cccc(NC(=S)N2CCCC2)c1 5571192 RVPVMFVBGCXKOG-UHFFFAOYSA-N 220.341 2.788 0 40 BFAB CCCCCNC(=O)c1ccccc1OC 6042330 YTKJZAGRFNRBDL-UHFFFAOYSA-N 221.300 2.615 0 40 BFAB C[C@@H]1CCc2c(sc3ncnc(N(C)C)c23)C1 6111399 SYQYGMYLOKJBRT-MRVPVSSYSA-N 247.367 2.882 0 40 BFAB C[C@@H](SCc1ccc(F)cc1)C(=O)O 6183445 JNYRAMJQLUPMSH-SSDOTTSWSA-N 214.261 2.532 0 40 BFAB Cc1ccccc1OCC(=O)N1CCC[C@@H](C)C1 6504777 ISFXIXIEMQPWBZ-GFCCVEGCSA-N 247.338 2.632 0 40 BFAB O=C(NCc1ccc(Cl)cc1)c1ccccn1 6649894 CJNIVNCTCNIRSY-UHFFFAOYSA-N 246.697 2.665 0 40 BFAB CC[C@@H]1C(=O)Nc2ccc(Br)cc21 6743999 VCFJZJWPWMXDAH-ZETCQYMHSA-N 240.100 2.895 0 40 BFAB Cc1cc(NC(=O)N[C@H]2CCCC[C@@H]2C)no1 9366090 FRXVSEQDCJXPHV-WPRPVWTQSA-N 237.303 2.683 0 40 BFAB Cc1cccc(NC(=O)c2cc(Cl)ccn2)n1 12540743 MZBOVUKDOCFXFB-UHFFFAOYSA-N 247.685 2.691 0 40 BFAB CO[C@@H](C(=O)N1CCCCCC1)c1ccccc1 20238578 VEIPJCIJWOXLHE-CQSZACIVSA-N 247.338 2.777 0 40 BFAB Clc1nccc(NC2CCCCC2)n1 20358080 NBTKTCIGZUWABA-UHFFFAOYSA-N 211.696 2.875 0 40 BFAB FC(F)(F)c1cccnc1NC1CC1 21054118 MTEZRYVBOKBBES-UHFFFAOYSA-N 202.179 2.675 0 40 BFAB O=C(Oc1ccc2c(c1)OCO2)c1ccsc1 22392328 IKUKQZCLIXLNDQ-UHFFFAOYSA-N 248.259 2.696 0 40 BFAB O=C(Nc1ccc2cn[nH]c2c1)C1CCCC1 29371199 SBABZEARSAKSAD-UHFFFAOYSA-N 229.283 2.692 0 40 BFAB O=C1CCOc2c(F)cc(Br)cc21 36928542 HEYFEDDTFOZZFS-UHFFFAOYSA-N 245.047 2.553 0 40 BFAB in-vitro Nc1ccccc1C(=O)NCC1CCCCC1 37247607 INRQISJITVEQRO-UHFFFAOYSA-N 232.327 2.579 0 40 BFAB CC(C)[C@@H](C(N)=O)c1ccc(Cl)cc1 37388140 QZVCKPXVTOPHBV-SNVBAGLBSA-N 211.692 2.565 0 40 BFAB Fc1ccc([C@@H]2CO2)cc1Br 55027026 KGZGYLSAJXQGND-QMMMGPOBSA-N 217.037 2.660 0 40 BFAB in-vitro Nc1ccc(-c2nccn2C(F)F)cc1 61681054 IVFVIYREGQJGGV-UHFFFAOYSA-N 209.199 2.527 0 40 BFAB in-vitro O=C(c1c[nH]nc1C1CCCCC1)N1CCCC1 69365429 ANYRZHAUWJFGIY-UHFFFAOYSA-N 247.342 2.693 0 40 BFAB CC1(C)CCN1C(=O)Nc1cccs1 72305908 KVZLIXVJZVADFV-UHFFFAOYSA-N 210.302 2.764 0 40 BFAB CC(C)C[C@H]1CC(=O)N1C(=O)OC(C)(C)C 72481920 CIDQRDIGTWFLKG-VIFPVBQESA-N 227.304 2.569 0 40 BFAB C=CC(=O)NCc1ccc(Cl)c(Cl)c1 77907196 DOZRUJCBWMJIRG-UHFFFAOYSA-N 230.094 2.796 0 40 BFAB Clc1c(Br)ccc2nc[nH]c12 79047798 MJXDWVUPIRXRDE-UHFFFAOYSA-N 231.480 2.979 0 40 BFAB CCC[C@H](C)NC(=O)[C@@H](C)N(C)CC(C)(C)C 84740192 WQICVBLPOZPUFJ-NWDGAFQWSA-N 242.407 2.658 0 40 BFAB c1c[nH]c([C@@H]2CCCCN2CC2CCC2)n1 89884754 OLOHIOJKUVWYCN-LBPRGKRZSA-N 219.332 2.737 0 40 BFAB CCOCCCOc1cnc(Cl)cc1C 89986938 HQEGGPOIYABKRE-UHFFFAOYSA-N 229.707 2.849 0 40 BFAB O=C(O)[C@H](CCNc1ccccc1)C(F)(F)F 95919636 UZCZPGYHAUYITA-VIFPVBQESA-N 247.216 2.752 0 40 BFAB O=C1[C@H]2C=C[C@H]1[C@@H]1[C@@H]3C[C@H](c4ccccc43)[C@@H]21 104282733 IBMKGOBRXZCXBC-BBZRCZKMSA-N 222.287 2.888 0 40 BFAB O=C(OCC(F)(F)C(F)F)c1ccccc1 117733822 PACDHXOPNJXFOK-UHFFFAOYSA-N 236.164 2.744 0 40 BFAB Cc1ncc(I)c(C)c1C 147868411 REILAGUVLPLNIB-UHFFFAOYSA-N 247.079 2.611 0 40 BFAB C[C@@H](C(=O)O)N(C)c1ccc(Cl)c(Cl)c1 224994701 BPWBVWSTJFMXPJ-LURJTMIESA-N 248.109 2.903 0 40 BFAB CC(C)(C)CNC(=O)CCc1ccccc1 226097777 WGQZVWCVXADOOK-UHFFFAOYSA-N 219.328 2.782 0 40 BFAB O=C(O)[C@@H]1C[C@@H]1[C@H]1C[C@H]1c1ccccc1 252487415 XFIGCNCLVXGNDI-NNYUYHANSA-N 202.253 2.511 0 40 BFAB CC[C@@H](C)OCc1ccnn1CC(F)(F)F 408716232 KFYWSHWHZFGTKU-MRVPVSSYSA-N 236.237 2.761 0 40 BFAB COC(=O)CCC(=O)c1cccc(C(C)C)c1 575358339 HIEMQFWLXDGPDQ-UHFFFAOYSA-N 234.295 2.946 0 40 BFAB c1ccc2c(c1)CCO[C@@H]2COc1nccs1 585650681 DHAXAUHLHSHMJC-GFCCVEGCSA-N 247.319 2.836 0 40 BFAB C[C@H]1CN=C(Nc2cccc(F)c2)S1 86372 HACQCQBZFCWXOT-ZETCQYMHSA-N 210.277 2.729 0 40 BFAB Cc1cc(NC(=O)c2ccc(Cl)s2)no1 342385 XXOYXBALAIBIRL-UHFFFAOYSA-N 242.687 2.950 0 40 BFAB Cc1[nH]c2ccccc2c1C[C@@H]1C[C@H](C)OC1=O 518773 LBCSSFHBUUXFJE-ONGXEEELSA-N 243.306 2.970 0 40 BFAB biogenic COc1ccc(CC(=O)N2CCCCCC2)cc1 585156 RMZMJSWKQYACRV-UHFFFAOYSA-N 247.338 2.640 0 40 BFAB c1cc(-c2ccco2)cc(C2OCCO2)c1 2525630 XVAXJWNKXXTMFS-UHFFFAOYSA-N 216.236 2.992 0 40 BFAB CC(C)[C@@H](N)C(=O)Nc1ccc2ccccc2c1 5274100 OBGGZBHESVNMSA-CQSZACIVSA-N 242.322 2.762 0 40 BFAB CCC(CC)[C@H](C(N)=O)c1ccccc1 5498172 SETRRRBRWWJNQL-LBPRGKRZSA-N 205.301 2.692 0 40 BFAB CNC(=O)c1ccc(-c2ccccc2)s1 5525933 URCCNXYQSTUSNL-UHFFFAOYSA-N 217.293 2.775 0 40 BFAB COC(=O)c1cccc(-c2ccc(CN)cc2)c1 5701231 SEYILLJJSJGXJD-UHFFFAOYSA-N 241.290 2.599 0 40 BFAB CNc1nc(-c2ccc(F)cc2)cs1 6671408 MVAWFZOBAJJRCS-UHFFFAOYSA-N 208.261 2.991 0 40 BFAB Cc1ccc(N)cc1NC(=O)CC(C)C 8703452 FMCJDIMQJUAMGW-UHFFFAOYSA-N 206.289 2.562 0 40 BFAB COc1cccc(CN2CCC(C)CC2)c1OC 9224979 OCVDFLNVYZEPQF-UHFFFAOYSA-N 249.354 2.936 0 40 BFAB O=C1NC(=O)/C(=C\c2ccc(Cl)s2)S1 12341836 AHUGQHNBLMULAP-HWKANZROSA-N 245.712 2.725 0 40 BFAB O=Cc1cc(O)c2[nH]c3ccc(O)cc3c2c1 13482891 FKDULSCBYNXNMP-UHFFFAOYSA-N 227.219 2.545 0 40 BFAB biogenic CCCC[S@](=O)/C=C/[S@@](=O)CCCC 17023572 DCYLNFVUQBIIBX-NPUYYSGSSA-N 236.402 2.555 0 40 BFAB COc1ccc(NC2CCN(C(C)C)CC2)cc1 19964701 YDHPDOWZYSMMLE-UHFFFAOYSA-N 248.370 2.980 0 40 BFAB CCOc1ccc(N)cc1C(=O)O[C@@H](C)CC 20155750 OPUKKUFPSXAAAJ-VIFPVBQESA-N 237.299 2.623 0 40 BFAB CC[C@H](C)C(=O)Nc1cc(C)c(C)cc1N 20157533 JWUBRPWVQRYJHJ-QMMMGPOBSA-N 220.316 2.870 0 40 BFAB CCc1cccc(N[C@H](C)C(=O)NC(C)(C)C)c1 20315682 PQHYKNMUGIDOOR-LLVKDONJSA-N 248.370 2.964 0 40 BFAB COc1cc(C)ccc1OCCC1CCNCC1 20593612 QWSRPANSEDAQRG-UHFFFAOYSA-N 249.354 2.772 0 40 BFAB Cc1cc(C(=O)NCc2ccco2)c(C)s1 23186805 PEGOOIUYGIJLDK-UHFFFAOYSA-N 235.308 2.888 0 40 BFAB c1ccc2oc(NCCCn3cccn3)nc2c1 30517498 OXXXQNAHWDSQNQ-UHFFFAOYSA-N 242.282 2.527 0 40 BFAB Cc1ccc(S[C@@H](C)C(=O)N(C)C)c(C)c1 32741647 XXGKXSZOFXPOAH-NSHDSACASA-N 237.368 2.872 0 40 BFAB Cc1cccc(C(=O)N(C)[C@@H](C)C2CC2)c1 32907047 WXFPDCJDOKEJSD-NSHDSACASA-N 217.312 2.866 0 40 BFAB COc1ccc(C2CCC(=O)CC2)cc1 34585969 ZMMQLFXRGHSTSW-UHFFFAOYSA-N 204.269 2.922 0 40 BFAB in-vitro CCOCCN[C@@H]1C[C@H](C)CC(C)(C)C1 36228922 VNVWTBRJYBXOBM-NWDGAFQWSA-N 213.365 2.827 0 40 BFAB Cc1cc(C=O)cc(C)c1OCC1CC1 36765378 KXULMKBTRGMRCL-UHFFFAOYSA-N 204.269 2.905 0 40 BFAB COc1ccccc1[C@H](O)c1ccsc1 37464970 ZFMZVRDZKRJBPD-GFCCVEGCSA-N 220.293 2.838 0 40 BFAB CC(C)C[C@H](C)NCC1(O)CCCCC1 37887132 UPDXJEOOUSNHII-LBPRGKRZSA-N 213.365 2.706 0 40 BFAB c1ccc(CNc2nc3ccccc3o2)nc1 37979802 XNMHMFQXUBWEOY-UHFFFAOYSA-N 225.251 2.835 0 40 BFAB in-vitro CN(C)C(=O)c1csc(-c2ccccc2)n1 40473708 GZQKEHAFDBVHCU-UHFFFAOYSA-N 232.308 2.512 0 40 BFAB CC[C@@H](C)NC(=O)C1(c2ccccc2)CC1 41510052 MGFKFDNEQCNYPM-LLVKDONJSA-N 217.312 2.633 0 40 BFAB Cc1cccc(C(=O)c2cccc(F)c2)n1 45028470 MKYDBHXFFDYQQT-UHFFFAOYSA-N 215.227 2.760 0 40 BFAB Cc1cccc(-c2csc(CO)n2)c1 45206558 KGIFOUUGCNFAIB-UHFFFAOYSA-N 205.282 2.611 0 40 BFAB NC(=O)c1cc2c(s1)-c1ccccc1CC2 48391193 YZVMOESODVYXOB-UHFFFAOYSA-N 229.304 2.613 0 40 BFAB CCCCC(=O)N(Cc1ccncc1)C1CC1 50821842 OWDIAPOWVDHLFP-UHFFFAOYSA-N 232.327 2.763 0 40 BFAB COC(=O)c1cc(C(C)C)ccc1OC 57339113 ZVMAOLALDZFOIF-UHFFFAOYSA-N 208.257 2.605 0 40 BFAB CCc1cc(Cl)c(OC)c(C(=O)OC)c1 57339123 WGAPJAIKYFFYKC-UHFFFAOYSA-N 228.675 2.698 0 40 BFAB CC(C)COC[C@H](C)NC(=O)c1cccs1 84544419 DPXKVNVANLJLTI-JTQLQIEISA-N 241.356 2.539 0 40 BFAB Nc1ccc(-c2cn[nH]c2)c2ccccc12 85391533 PRSLZKAEYXBXQJ-UHFFFAOYSA-N 209.252 2.812 0 40 BFAB CC(C)[C@H]1CC(=O)Oc2ccc3nsnc3c21 96223331 SNPOQQUPGAOHDN-SSDOTTSWSA-N 248.307 2.740 0 40 BFAB O=C(OCc1ccco1)[C@H]1C[C@H]2C=C[C@H]1C2 100078189 NKLRWURIOVXVAB-NHCYSSNCSA-N 218.252 2.535 0 40 BFAB O=C(c1ccccc1)[C@@H]1Cc2ccccc2C1=O 100084074 MENNOJMRPYPXKI-AWEZNQCLSA-N 236.270 2.925 0 40 BFAB CCc1oc(C(=O)N2C[C@H]3CC[C@H]2C3)cc1C 102324088 RWASVGJKDZBXAW-QWRGUYRKSA-N 233.311 2.775 0 40 BFAB CCC(CC)CNC(=O)N[C@H](C)c1cccnc1 105087624 UTLBOVDSUGBPIS-LLVKDONJSA-N 249.358 2.878 0 40 BFAB Cc1ccnc(NN2[C@@H](C)CCC[C@@H]2C)c1 116937326 NRXATBCOCMMMEF-RYUDHWBXSA-N 219.332 2.980 0 40 BFAB COc1cc(C(=O)C2CCC2)ccc1F 122183106 PPXGINZUUYPGAQ-UHFFFAOYSA-N 208.232 2.817 0 40 BFAB CCCCCc1ccc([C@H](C)NN)cc1 199537424 NRSFEAGIMZWAHG-NSHDSACASA-N 206.333 2.944 0 40 BFAB COc1cc2nc[nH]c2cc1C(F)(F)F 215407280 BWVZFBARFORLSE-UHFFFAOYSA-N 216.162 2.590 0 40 BFAB CC[C@@H](C)NCCCN1CCCC[C@H]1C 238857217 YIHQUCLGWUZLCY-CHWSQXEVSA-N 212.381 2.639 0 40 BFAB C[C@@H]1CCCN([C@H](CN)c2ccccc2F)C1 242688403 VPHYZNNRJQDDPC-BXUZGUMPSA-N 236.334 2.557 0 40 BFAB CCn1nc(C)cc1NCc1cnn(C(C)C)c1 256050778 GMHUCIWWQITNCL-UHFFFAOYSA-N 247.346 2.601 0 40 BFAB CC[C@H](C)OCc1ccn(CC(F)(F)F)n1 408715419 NDNDUVMWIJXALI-QMMMGPOBSA-N 236.237 2.761 0 40 BFAB Cc1cc(F)ncc1NC(=O)OC(C)(C)C 675050349 BTQZHUZEYBQAGW-UHFFFAOYSA-N 226.251 2.876 0 40 BFAB O=C(O)[C@@]1(c2ccccc2)O[C@@H]1c1ccccc1 1733982 VTCBMUQQGHEZCK-HIFRSBDPSA-N 240.258 2.738 0 40 BFAB CCCCCC1=NNC(CCCCC)=NN1 2304692 AVFHNJGRAIZCSL-UHFFFAOYSA-N 224.352 2.967 0 40 BFAB COc1ccc(CN[C@@H]2CCOC(C)(C)C2)cc1 4898937 BPLBAWSCWSWZPE-CYBMUJFWSA-N 249.354 2.742 0 40 BFAB O=C1NC(c2ccccc2)=N/C1=C/c1ccccc1 5731352 KAWZYGYMVASGLF-SDNWHVSQSA-N 248.285 2.604 0 40 BFAB C[C@@H]1CCCCN1CCOc1cccc(C=O)c1 9261369 RBAGCJNEWBKCOX-CYBMUJFWSA-N 247.338 2.752 0 40 BFAB CCc1ccc2c(c1)[C@@H](N)CC(C)(C)O2 11848953 BARMYPFKQXQJLP-NSHDSACASA-N 205.301 2.810 0 40 BFAB CCN(CC)C(=O)[C@H](C)Oc1cc(C)ccc1C 13710133 BSYWVPVSAUKTRX-ZDUSSCGKSA-N 249.354 2.939 0 40 BFAB Cc1cc(C)cc(OCC2CCNCC2)c1 14631452 KCBOFICGUYWZPL-UHFFFAOYSA-N 219.328 2.682 0 40 BFAB Cc1ccc([C@@H](N)CC(F)(F)F)cc1 19414373 DROWMZLEMBXNJP-VIFPVBQESA-N 203.207 2.947 0 40 BFAB C[C@@H](NN)c1ccc(Cl)c(Cl)c1 19516827 ZHVMMRGELMHLJB-RXMQYKEDSA-N 205.088 2.518 0 40 BFAB c1ccc2c(c1)nc1nccc(C3CC3)n12 20635309 QWGNAECFQLIASH-UHFFFAOYSA-N 209.252 2.760 0 40 BFAB CC[C@H](N)c1ccccc1OC(F)F 22219993 NORQOYHWPYKECS-QMMMGPOBSA-N 201.216 2.698 0 40 BFAB in-vitro Cc1ccsc1CNCCOc1ccccn1 35287309 QCOYLDKBIGMLHQ-UHFFFAOYSA-N 248.351 2.620 0 40 BFAB C=CC(=O)Nc1ccc(N(C)C(C)C)c(F)c1 37003267 VKYRKGKUWICXPL-UHFFFAOYSA-N 236.290 2.795 0 40 BFAB in-vitro CC[C@@H](Nc1cc(C)ccc1C)C(=O)OC 40019931 AFJGEBDFIXVYNW-LLVKDONJSA-N 221.300 2.667 0 40 BFAB C[C@H](NC(=O)CC(F)(F)F)c1cccs1 43072588 KSPOMJBKUKCHRB-LURJTMIESA-N 237.246 2.878 0 40 BFAB COc1ccc2ccccc2c1CCCO 44396274 JVJUVGXRXJQCTN-UHFFFAOYSA-N 216.280 2.773 0 40 BFAB NC1CC(c2ccc(OC(F)(F)F)cc2)C1 50225008 GYKKKWTZBZQYQF-UHFFFAOYSA-N 231.217 2.790 0 40 BFAB in-vitro COC[C@H](C)Nc1ccccc1Br 53172250 RESDJCQTDKZPLW-QMMMGPOBSA-N 244.132 2.896 0 40 BFAB Cc1noc(C)c1CN(C)C1CCCC1 53435510 UERQXXXCUDEQGR-UHFFFAOYSA-N 208.305 2.666 0 40 BFAB in-vitro CC(=O)Oc1c(C)cc(Cl)c(C)c1C(=O)O 57339608 YCOJUQLGFUIEQO-UHFFFAOYSA-N 242.658 2.580 0 40 BFAB CNCc1ccc(-c2ccccn2)s1 67801452 WVCKAUJRTXZJOE-UHFFFAOYSA-N 204.298 2.530 0 40 BFAB FC1(F)C=C[C@](Cl)(C(F)(F)F)O1 68591073 AHZFMOJDSSHKSD-GSVOUGTGSA-N 208.513 2.663 0 40 BFAB CC(C)(C)c1cc(NC(=O)N2CCCC2)no1 69224985 OODMUCXIUFMMEE-UHFFFAOYSA-N 237.303 2.600 0 40 BFAB C[C@H]1Cc2ccccc2N1C(=O)c1cncs1 82337102 RAVKLLIXZAUFEM-VIFPVBQESA-N 244.319 2.735 0 40 BFAB CC(=O)N1C[C@H](C)C[C@@H]1c1cccc(F)c1 95401958 USMVQQYAXDYDFX-NOZJJQNGSA-N 221.275 2.755 0 40 BFAB Cc1nc(N)sc1-c1ccnc(C2CCC2)n1 95629762 HZJFJLJBZKJEDG-UHFFFAOYSA-N 246.339 2.758 0 40 BFAB C[C@H]1CC[C@@H]1COc1ccccc1C(=O)O 96526462 NKGAUIKTEZYEOS-VHSXEESVSA-N 220.268 2.810 0 40 BFAB Cc1c(O)cc2c(c1C)O[C@@](C)(CO)C[C@H]2C 98175226 VOPROHVTWCUDFE-XLKFXECMSA-N 236.311 2.646 0 40 BFAB COC(=O)c1cccc(C[Si](C)(C)C)c1 196262422 JYURNBWZZLCKFZ-UHFFFAOYSA-N 222.360 2.893 0 40 BFAB Fc1cc(Br)cnc1NC1CC1 218813199 OJHKXZQGMXOAJQ-UHFFFAOYSA-N 231.068 2.558 0 40 BFAB C[C@@H]1CN(Cc2ccccc2)[C@H](C)[C@@H](C)C1=O 238851224 FUZDNZXGTGKHSR-JHJVBQTASA-N 231.339 2.732 0 40 BFAB CCn1ncc(C)c1CNc1cnn(C(C)C)c1 256051295 IOTPHAFNLJDNBY-UHFFFAOYSA-N 247.346 2.601 0 40 BFAB Cc1csc(-c2noc(C(C)(C)F)n2)n1 334615777 KRGOCZHIEPELNP-UHFFFAOYSA-N 227.264 2.706 0 40 BFAB Cc1cnnc(NC[C@H]2CC23CCSCC3)c1 894238788 GTTTWNPMJISAAJ-LLVKDONJSA-N 249.383 2.730 0 40 BFAB CCc1ncnc(N(C)c2ccccc2)c1F 1888859973 DVIGITNWHYRWSK-UHFFFAOYSA-N 231.274 2.946 0 40 BFAB CC(=O)[C@@]1(c2ccccc2)CCCN(C)CC1 1618262 VSAAQIAFGFUKFJ-OAHLLOKOSA-N 231.339 2.629 0 40 BFAB C[C@H]1CO[C@H](c2ccc(Br)cc2)O1 2576268 WOCBWSCCRJGLJG-XVKPBYJWSA-N 243.100 2.883 0 40 BFAB COC(=O)c1cc2c(s1)CC[C@@H](C)C2 6509240 WTNVEQQSDKXQNM-SSDOTTSWSA-N 210.298 2.660 0 40 BFAB CCNC(=S)Nc1ccccc1CC 7561175 QBLQKKWMTCLWBL-UHFFFAOYSA-N 208.330 2.555 0 40 BFAB O=C(O)c1cc(Oc2ccccc2)co1 16124588 APSCPDDQKUPMCQ-UHFFFAOYSA-N 204.181 2.770 0 40 BFAB CC[C@H]1CNCc2cc3cccc(C)c3nc2O1 19500982 HOISUKPDDHBXID-ZDUSSCGKSA-N 242.322 2.804 0 40 BFAB CN[C@@H](C)c1cccc(OC(F)F)c1 20083823 RYERHYAYBJLIBL-ZETCQYMHSA-N 201.216 2.568 0 40 BFAB CCCCNC[C@@H]1CCCN1CCCC 22073440 VKEQMYAKYWEWNZ-ZDUSSCGKSA-N 212.381 2.641 0 40 BFAB O=C(Nc1cccnc1)c1cccc2ncccc12 25431363 BNKZZYIHPBJVNU-UHFFFAOYSA-N 249.273 2.882 0 40 BFAB CCn1c(C(=O)OC)cc2cc(F)ccc21 32918986 YASKEVJLWFKOLS-UHFFFAOYSA-N 221.231 2.587 0 40 BFAB CC(C)(C)c1cccc2c1OCC[C@H]2N 36928678 FNOIBLQXMSCOST-LLVKDONJSA-N 205.301 2.766 0 40 BFAB COc1ccc(OC)c([C@@H](O)c2ccc(C)o2)c1 40244872 XPHAWEGMQRMXQV-CQSZACIVSA-N 248.278 2.687 0 40 BFAB CCCCCNCCOc1ccccc1 41216341 WOEAQQLEAOIBPH-UHFFFAOYSA-N 207.317 2.845 0 40 BFAB CC(C)(C)C(=O)N1CCc2sccc2C1 42010589 FATFJNYXUQZQLH-UHFFFAOYSA-N 223.341 2.679 0 40 BFAB Cc1noc(CN2CCC[C@@H]3CCCC[C@@H]32)n1 42508615 GOSWMGQZUSIBPG-RYUDHWBXSA-N 235.331 2.533 0 40 BFAB CN(Cc1ccccc1Cl)[C@@H]1CCCNC1 43501459 CPJLDFAIJYYFKE-GFCCVEGCSA-N 238.762 2.524 0 40 BFAB Cc1ncsc1C(=O)N(C)c1ccccc1 46763200 IYTXFFAPZUBBPE-UHFFFAOYSA-N 232.308 2.728 0 40 BFAB CCN1CCC[C@@H]1c1cnc(S)c(C)c1 72218251 MBIFUZJZQMGQPY-LLVKDONJSA-N 222.357 2.836 0 40 BFAB CNc1cc(C)c([C@@H]2CCCCN2C(C)=O)cn1 72219074 CTBBEGHOAOJTEL-ZDUSSCGKSA-N 247.342 2.505 0 40 BFAB Cc1cc(CSCc2cc(C)on2)no1 72230526 UPJMWFOBPUGFBL-UHFFFAOYSA-N 224.285 2.713 0 40 BFAB Cc1cc(CN2CCS[C@H](C(C)C)C2)no1 76066841 QSDPVGURJQAIAG-LBPRGKRZSA-N 240.372 2.556 0 40 BFAB CC(=O)Nc1ccc2c(c1)nc(C(C)(C)C)n2C 76213101 LQCXLVXTCVSHHR-UHFFFAOYSA-N 245.326 2.829 0 40 BFAB CC[C@H](c1ccccc1)N(CCO)C(C)C 79421149 UMFJFXVOSBORQH-CQSZACIVSA-N 221.344 2.840 0 40 BFAB C[C@H](CC(=O)O)c1c(F)cccc1F 82912282 YXRPVXYABHYNIR-ZCFIWIBFSA-N 200.184 2.543 0 40 BFAB O=c1cc(-c2ccco2)[nH]c2ccccc12 84669367 DRAVSOKTERRVNV-UHFFFAOYSA-N 211.220 2.788 0 40 BFAB CC(=O)Cc1cc(F)cc(C(F)(F)F)c1 95913015 CKUCHIMWRJIMAI-UHFFFAOYSA-N 220.165 2.976 0 40 BFAB CCCCC(=O)N[C@H]1CCC[C@H](SC)C1 96409460 XPFIERKTXCSNAQ-QWRGUYRKSA-N 229.389 2.967 0 40 BFAB CC[C@H](O)Cc1cccc(OC(C)C)c1 96543522 RABXYZVIFICCDX-LBPRGKRZSA-N 208.301 2.787 0 40 BFAB CC(=O)Nc1sccc1C(=O)C(C)(C)C 98013347 PSTNBMPCTXRYQZ-UHFFFAOYSA-N 225.313 2.935 0 40 BFAB CCCCNCCC[C@H]1CCCN1CC 218327223 VJKFVRTZMYWALJ-ZDUSSCGKSA-N 212.381 2.641 0 40 BFAB N[C@@H]1CCC[C@H]1Nc1cccc(C(F)(F)F)c1 218876908 WIUGTKUNWBPPNP-GHMZBOCLSA-N 244.260 2.997 0 40 BFAB CNCCCNc1ccnc2c(C)cccc12 222676214 DCBYBRXXGNBDSF-UHFFFAOYSA-N 229.327 2.565 0 40 BFAB CC[C@H](C)n1ccc(NCc2ccnn2CC)n1 256055132 ZIKDEJVRJXAWDV-NSHDSACASA-N 247.346 2.683 0 40 BFAB CN(c1ncnc2ccccc12)C1CCC1 266157647 VSYGAZRWGAWCKT-UHFFFAOYSA-N 213.284 2.619 0 40 BFAB C[C@@H]1CCc2[nH]c3ccccc3c(=O)c2C1 128482 LNNMVJASWLOYHW-SECBINFHSA-N 213.280 2.653 0 40 BFAB CN(C)C(=O)c1cccc2c1-c1ccccc1C2 1038970 GWMNHMRTOBAPSH-UHFFFAOYSA-N 237.302 2.960 0 40 BFAB O=C(O)C[C@]1(O)CCCC[C@H]1c1ccccc1 1632999 IYUDSTOJSKIUKS-GXTWGEPZSA-N 234.295 2.550 0 40 BFAB C[C@@]1(O)C[C@@](O)(c2ccccc2)c2ccccc21 1708743 XVIODFWVBLLPJY-HZPDHXFCSA-N 240.302 2.534 0 40 BFAB Cc1cc(C)n(C(=O)[C@H]2C[C@@H]2c2ccccc2)n1 5362249 KJGRIGIQDLUOEA-KGLIPLIRSA-N 240.306 2.944 0 40 BFAB C[C@H](Nc1cccc2ccccc12)C(=O)O 5798548 IYKLZBIWFXPUCS-VIFPVBQESA-N 215.252 2.725 0 40 BFAB COc1ccc(C(=O)NC(C)C)c2ccccc12 9447103 AZYBHKSWQHBNBH-UHFFFAOYSA-N 243.306 2.987 0 40 BFAB C[C@@H]1CCC[C@H](NC(=O)c2cccnc2)[C@@H]1C 9969954 UYTYXXIMPJCQLO-WZRBSPASSA-N 232.327 2.636 0 40 BFAB Nc1cccc(CN2CCc3ccccc3C2)c1 11850578 NVWSVCBELDUXBJ-UHFFFAOYSA-N 238.334 2.827 0 40 BFAB CCOC(=O)c1[nH]c2ccccc2c1CC 12860832 PUTGRHQJZXLFEJ-UHFFFAOYSA-N 217.268 2.907 0 40 BFAB O=C(N[C@H]1CCCc2occc21)c1ccco1 12924204 KOGNRAKSZBWUJI-JTQLQIEISA-N 231.251 2.680 0 40 BFAB CCC(CC)NC(=O)Cc1noc2ccccc12 14158616 MQESZNSHPQRANB-UHFFFAOYSA-N 246.310 2.675 0 40 BFAB O=C(NCCCOCC1CC1)Nc1ccccc1 14187447 MTWYRGMNQOYSNM-UHFFFAOYSA-N 248.326 2.625 0 40 BFAB O=C(NCCc1cccc(F)c1)c1cccs1 18136688 HYYYCBZGUBVLGV-UHFFFAOYSA-N 249.310 2.860 0 40 BFAB Brc1cccc(CNCC2CC2)c1 19884604 ULAYRIHECZZUGD-UHFFFAOYSA-N 240.144 2.949 0 40 BFAB in-vitro COC[C@H](C)N[C@H]1C[C@@H](C)CC(C)(C)C1 19905060 WKXDJQJXMDXLBS-WOPDTQHZSA-N 213.365 2.826 0 40 BFAB CCC(C)(C)C(=O)Nc1ccc(F)c(N)c1 20157417 KROMSFQFBBXMBO-UHFFFAOYSA-N 224.279 2.783 0 40 BFAB CCOc1ccc([C@@H]2C[C@H]2[C@@H](C)N)cc1 20392467 VPECJODXZJEBMN-ICCXJUOJSA-N 205.301 2.536 0 40 BFAB Fc1c(F)c(F)c2c(Cl)ncnc2c1F 26897386 QBXLZCMKEQJLPY-UHFFFAOYSA-N 236.555 2.840 0 40 BFAB O=C(CSc1ccccc1F)N1CCCC1 32738711 SVMRUIBKFSHXCV-UHFFFAOYSA-N 239.315 2.540 0 40 BFAB CC(=O)N[C@@H](c1ccc(F)cc1)C(C)C 36396691 ALBNAMOVZDKRBH-GFCCVEGCSA-N 209.264 2.659 0 40 BFAB O[C@H](c1cccc(F)c1)c1cccs1 37464522 SDKVRGOGKKTBJR-LLVKDONJSA-N 208.257 2.969 0 40 BFAB O=C(O)CC1(Cn2cccc2)CCCCC1 43413947 XXNDUIXDKVSOHW-UHFFFAOYSA-N 221.300 2.913 0 40 BFAB Cc1cc(C)cc(Nc2cc(C)nc(N)n2)c1 43532131 YWUYVCHXXGAYDE-UHFFFAOYSA-N 228.299 2.728 0 40 BFAB O=C(O)[C@H](O)c1ccccc1C1CCCCC1 44830218 IYARFMGWMMKLOE-CYBMUJFWSA-N 234.295 2.852 0 40 BFAB C[C@H]1CO[C@H](C)CN1C(=O)CCC1CCCC1 45446163 NXIITIGPLXYQIE-NWDGAFQWSA-N 239.359 2.593 0 40 BFAB Cc1nccn1CCNc1cccc(Cl)c1 49329871 ZZLRTTRIMPVXFQ-UHFFFAOYSA-N 235.718 2.957 0 40 BFAB O=C(c1ccc(C(F)(F)F)cc1)N1CCC1 60632866 SCFJJELETVOIPN-UHFFFAOYSA-N 229.201 2.551 0 40 BFAB Cc1c(CO)oc2ccc(Br)cc12 66346173 NGTAGLBKBNSCIM-UHFFFAOYSA-N 241.084 2.996 0 40 BFAB COC(=O)/C(=C/c1ccsc1)c1ccncc1 71795729 LTHQYGZJZZBLTC-XYOKQWHBSA-N 245.303 2.857 0 40 BFAB CN(C)/C=C/c1ccnc(C(F)(F)F)c1 72206973 KMIHQZGRWSIKQX-GQCTYLIASA-N 216.206 2.633 0 40 BFAB c1cc(CC2CCNCC2)c2cccnc2c1 72367580 CQPACSYLUHZHJG-UHFFFAOYSA-N 226.323 2.777 0 40 BFAB Cc1cc(C)cc(NC(=O)C2CCN(C)CC2)c1 74713320 HYXAGMYIZHZWOW-UHFFFAOYSA-N 246.354 2.584 0 40 BFAB CC(C)(C)OC(=O)N[C@@H]1CCc2ccc(O)cc21 75629587 HWLAUUTUIGOWAB-GFCCVEGCSA-N 249.310 2.904 0 40 BFAB O=C(O)c1c(Cl)cc(F)cc1Cl 82046586 NLVLBEXWAAXPCO-UHFFFAOYSA-N 209.003 2.831 0 40 BFAB in-vitro CCc1c(N)cnn1-c1ccccc1Cl 85634498 VFUYHNTWNRRKAU-UHFFFAOYSA-N 221.691 2.670 0 40 BFAB C[C@H](CO)N[C@H]1CCCSc2ccccc21 89497015 RNWTVBDYMWCGRO-PWSUYJOCSA-N 237.368 2.584 0 40 BFAB CCOCCCN(C)Cc1cccs1 89986905 WNPSXVIZUSEGQY-UHFFFAOYSA-N 213.346 2.607 0 40 BFAB COc1ccc(Cn2nc(C)cc2C)cc1 95348121 VIZJDHJZSGBKJE-UHFFFAOYSA-N 216.284 2.557 0 40 BFAB CCc1ccc(CNC(C)(C)c2cnn(C)c2)o1 95415513 YSVIKBGMDNHNSD-UHFFFAOYSA-N 247.342 2.600 0 40 BFAB O=Cc1ccc(OC[C@@H]2CC2(F)F)cc1 96515599 CXZXHNYYFXLRGZ-VIFPVBQESA-N 212.195 2.533 0 40 BFAB NC(=O)C1(c2cccc(C(F)(F)F)c2)CCC1 98013507 MQXYWUCPPPWCPX-UHFFFAOYSA-N 243.228 2.612 0 40 BFAB Cc1nn(C)c(C)c1N[C@H]1C[C@H]2CC[C@H]1C2 106897245 NYUOUYDZYAPFJT-SRVKXCTJSA-N 219.332 2.637 0 40 BFAB Cc1cccc(N[C@H]2CCCC[C@H]2N)c1 218857794 GYPOFMYXBZBROQ-OLZOCXBDSA-N 204.317 2.677 0 40 BFAB COC(=O)c1cccn1-c1cc(C)ccc1C 223723911 ITBPRNBIVGBYCY-UHFFFAOYSA-N 229.279 2.881 0 40 BFAB CCCc1nc(-c2ccc(N)c(C)c2)no1 225173349 NLWRNJXBOCKERU-UHFFFAOYSA-N 217.272 2.580 0 40 BFAB C1CCC(N2CCN[C@H]3CCCC[C@@H]32)CC1 225711448 KLNNTSMKRXXOKT-KBPBESRZSA-N 222.376 2.536 0 40 BFAB CCc1ccccc1N(CC)[C@H](CC)C(=O)O 260679428 MNVNHXZIJNWTKZ-GFCCVEGCSA-N 235.327 2.939 0 40 BFAB CC[C@@H](C)OCc1ccnn1CC(C)C 408716779 QUOYODBXVCBSME-LLVKDONJSA-N 210.321 2.854 0 40 BFAB CCOC(=O)/C=C(/C)P(OCC)OCC 642880843 INNQPPBXIGELQS-HJWRWDBZSA-N 234.232 2.838 0 40 BFAB Oc1nccc2cc(Br)c(F)cc12 1857790796 SBGPPELXVBDHFX-UHFFFAOYSA-N 242.047 2.842 0 40 BFAB Cc1ccc2nsnc2c1Br 90139 MVKNQPXDNRZEPN-UHFFFAOYSA-N 229.102 2.762 0 40 BFAB O=C(O)[C@@H](C1CCCCC1)C1(O)CCCC1 155058 ZSQDFGTXYQMEHT-LLVKDONJSA-N 226.316 2.573 0 40 BFAB COc1ccc(N)cc1OC1CCCC1 161565 RRZIWWXZGHOMDM-UHFFFAOYSA-N 207.273 2.599 0 40 BFAB CCOC(=O)c1cc(-c2ccsc2)no1 266311 GSAOSUXDPZIFBZ-UHFFFAOYSA-N 223.253 2.580 0 40 BFAB Brc1cnccc1-c1ccncc1 331209 KVIILCHQXOCFDR-UHFFFAOYSA-N 235.084 2.906 0 40 BFAB N=C(N)N(Cc1ccccc1)Cc1ccccc1 1571143 MRXBEVRHPUOYNF-UHFFFAOYSA-N 239.322 2.582 0 40 BFAB CCOC(=O)COc1ccc(Cl)cc1C 1602245 OUYDEKFRLSFDMU-UHFFFAOYSA-N 228.675 2.590 0 40 BFAB in-vitro COc1ccc2cc(NC(C)=O)ccc2c1 1651959 ZAHHHOXQHKERLZ-UHFFFAOYSA-N 215.252 2.807 0 40 BFAB C[C@@H](Oc1ccccc1)C(=O)Nc1nccs1 4731386 QPRUFYKSDXNYSO-SECBINFHSA-N 248.307 2.549 0 40 BFAB NC[C@H](Oc1ccccc1)c1ccccc1 5947795 UGYLBIAQUSWTRS-AWEZNQCLSA-N 213.280 2.765 0 40 BFAB in-vitro FC(F)Oc1ccc(-c2nnc(S)o2)cc1 6049398 ODVVHDDSXRZOLV-UHFFFAOYSA-N 244.222 2.627 0 40 BFAB in-vitro C[C@H](O)CNC1CCC(C(C)(C)C)CC1 8497576 MGIWWCSXHLHRTQ-UNXYVOJBSA-N 213.365 2.562 0 40 BFAB CCC[C@@H](Nc1ccccc1OCC)C(=O)O 8702795 UTHLZUHYWQVVLR-LLVKDONJSA-N 237.299 2.751 0 40 BFAB O=c1[nH]c2ccccc2nc1-c1cccs1 8763044 PWIKCZVHLJFOFW-UHFFFAOYSA-N 228.276 2.652 0 40 BFAB CC[C@@H](C)NC(=O)Nc1ccc(OC)cc1 12921795 ZYTJGOKHNZZSDI-SECBINFHSA-N 222.288 2.615 0 40 BFAB Cc1nc2ccccc2nc1-c1csc(N)n1 16265613 CDFIRRWBIPSCIR-UHFFFAOYSA-N 242.307 2.644 0 40 BFAB C[C@H](N)c1ccc(OCc2cccnc2)cc1 19258555 KETPVJFWOHNYIN-NSHDSACASA-N 228.295 2.680 0 40 BFAB O=C(O)c1cnc(Cc2ccccc2F)s1 19948432 DKFZXXPYPJEKOG-UHFFFAOYSA-N 237.255 2.571 0 40 BFAB in-vitro Cc1ccc(C(=O)Nc2ccc3c(c2)CCO3)o1 30372614 BIAATPIIYNIPRN-UHFFFAOYSA-N 243.262 2.775 0 40 BFAB CCOC(=O)/C=C/c1ccc(OC(F)F)cc1 34417446 YFFHRAGHXFNJFL-VMPITWQZSA-N 242.221 2.864 0 40 BFAB CC[C@H](CO)N[C@@H]1C[C@H](C)CC(C)(C)C1 34676176 XEXOMIQOZCEMST-QJPTWQEYSA-N 213.365 2.562 0 40 BFAB CC(C)(Br)C(=O)NC1CCCCC1 41706377 HYVLKBVANUDHPA-UHFFFAOYSA-N 248.164 2.609 0 40 BFAB CCOc1ccc(OCC[C@@H]2CCCNC2)cc1 42773051 ASQIPSCCEBGTFK-ZDUSSCGKSA-N 249.354 2.854 0 40 BFAB COc1ccc(C(=O)c2ccc(C)cn2)cc1 45028527 GAMRAUGPZHNBHD-UHFFFAOYSA-N 227.263 2.630 0 40 BFAB CCCc1nnc(NC(=O)C2CCCC2)s1 57511645 NXHLNICFJXQRSZ-UHFFFAOYSA-N 239.344 2.619 0 40 BFAB COC(=O)c1cc(Cl)c2ccccc2n1 62152064 AAHYMHHQOLSODU-UHFFFAOYSA-N 221.643 2.675 0 40 BFAB in-vitro COc1ccc(C(=O)c2nc(C)cs2)cc1 71405354 XNGPMRUYKWPTIM-UHFFFAOYSA-N 233.292 2.691 0 40 BFAB CCSc1ncccc1[C@@H]1CCCN1C 72217166 VDBAEEACDVEACM-NSHDSACASA-N 222.357 2.960 0 40 BFAB CC[C@H](OC)c1ccc([C@@H](C)CN)cc1 72220213 HYEWOCWDJXWKFM-GWCFXTLKSA-N 207.317 2.846 0 40 BFAB CC(C)C[C@H]1CCN(C(=O)c2ccc[nH]2)C1 73187771 BZHOSGCMZBJWTA-LLVKDONJSA-N 220.316 2.523 0 40 BFAB Cc1cccc(-c2ccc(C(=O)O)[nH]2)c1C 74116008 GVHCTVAVEPSBSD-UHFFFAOYSA-N 215.252 2.997 0 40 BFAB C[C@@H]1CCCCN1C(=O)Cc1cccc(F)c1 75496673 HBFRQJZVZRIEPX-LLVKDONJSA-N 235.302 2.769 0 40 BFAB Oc1cnc2c(Br)cccc2c1 84122434 XNYASQFAVCWKQC-UHFFFAOYSA-N 224.057 2.703 0 40 BFAB in-vitro C[C@@H]1CCCC[C@@H]1OCC(=O)N1CCCCC1 89927775 OLZBBEOFDPPCHI-OLZOCXBDSA-N 239.359 2.594 0 40 BFAB c1cc(C2CCN(Cc3ccsc3)CC2)n[nH]1 92811006 UUIYZMPJRKJJHL-UHFFFAOYSA-N 247.367 2.851 0 40 BFAB O=C(Nc1cccnc1)N1Cc2ccccc2C1 95381591 SFAPSKDNKKNMAN-UHFFFAOYSA-N 239.278 2.629 0 40 BFAB CS[C@H]1CCC[C@@H]1NC1CCSCC1 95423377 RCWFZMHQUJWMAI-QWRGUYRKSA-N 231.430 2.756 0 40 BFAB CCC[C@@H](C)C(=O)OCCCc1ccncc1 97044160 WIFILABGPQGTAQ-GFCCVEGCSA-N 235.327 2.994 0 40 BFAB O=C(O)CC12C[C@H]3C[C@@H](CC(F)(C3)C1)C2 100501249 DIAVLAZPPBNYKZ-WWAQEKKBSA-N 212.264 2.770 0 40 BFAB in-vitro C[C@@H]1CC[C@@]23[C@@H]1C[C@H](CC(=O)[C@@]2(C)O)C3(C)C 104026939 AJNBIBAWHPLSCR-XBIAIPMCSA-N 236.355 2.789 0 40 BFAB C[C@H]1NC(=O)Nc2ccc(Br)cc21 221284959 YTKDUINJUSLAHW-RXMQYKEDSA-N 241.088 2.645 0 40 BFAB CC(C)(C)n1ncc2c1N[C@H](C1CC1)CC2 225813289 FEEAOIFXVXUJEM-NSHDSACASA-N 219.332 2.775 0 40 BFAB CCc1ccc(C(=O)O)n1Cc1ccc(F)cc1 226022487 WNDBJBOIWSKXGN-UHFFFAOYSA-N 247.269 2.936 0 40 BFAB CC(C)(C)O[C@H]1C[C@@H](CC(=O)O)C1(C)C 1535542742 WEBFZAVQBZMIDG-IUCAKERBSA-N 214.305 2.691 0 40 BFAB Cc1cc(-c2ccc(Cl)s2)nc(N)n1 1384202 BROZZROKXQWZDI-UHFFFAOYSA-N 225.704 2.749 0 40 BFAB c1cc(C2=NCCO2)c2ccsc2c1 1639219 HDCSNPZUIUBFAK-UHFFFAOYSA-N 203.266 2.678 0 40 BFAB CN[C@@H]1CCCc2c(OC)ccc(Cl)c21 1998970 ZUUXQKLPCWQSDW-SNVBAGLBSA-N 225.719 2.945 0 40 BFAB O=C(O)/C=C/c1c(F)ccc(Cl)c1F 2574999 ZNEJUDVVYPYXMB-DAFODLJHSA-N 218.586 2.716 0 40 BFAB Cc1ccc(NC(=O)NC[C@H]2CCCO2)cc1C 3206586 VBEMSQWLOQAKRE-CYBMUJFWSA-N 248.326 2.604 0 40 BFAB CCCCCCc1nnc(NC(=O)OC)s1 4694967 JJFAKBBCFLZFFK-UHFFFAOYSA-N 243.332 2.839 0 40 BFAB O=C1N(c2ccccc2)C(O)=NC12CCCCC2 4981120 IWJCNJMQZPEXHF-UHFFFAOYSA-N 244.294 2.650 0 40 BFAB CC1=Nc2ccc(C(=O)O)cc2C1(C)C 5416663 QUDAPQXQGBIUAR-UHFFFAOYSA-N 203.241 2.768 0 40 BFAB in-vitro CCN(CC)C(=O)/C(C)=C/c1ccccc1 6462666 JPSZOUBPWNTIFL-VAWYXSNFSA-N 217.312 2.958 0 40 BFAB CCCOc1ccc(C(=O)O)cc1N1CCCC1 8703663 PXSDAEOYGNUDFP-UHFFFAOYSA-N 249.310 2.774 0 40 BFAB Cc1ccc(C)c(Cc2nnc(S)o2)c1 8732347 NJJQEBYEVGAAQS-UHFFFAOYSA-N 220.297 2.566 0 40 BFAB Brc1cncc2c1CCCC2 15042117 PUMLCNFYVSGGIU-UHFFFAOYSA-N 212.090 2.723 0 40 BFAB in-vitro Cc1ccccc1C(=O)NCCc1ccco1 17910079 IZPZBYPERADDQY-UHFFFAOYSA-N 229.279 2.561 0 40 BFAB CCOC(CC(C)(OCC)OCC)OCC 22114830 WZCHUCADTFEGJK-UHFFFAOYSA-N 234.336 2.565 0 40 BFAB CN(C(=O)C1CC1)c1nc2ccccc2s1 26955328 FUPADVZAZOETGV-UHFFFAOYSA-N 232.308 2.669 0 40 BFAB O=C(O)/C=C\c1cc(C(F)(F)F)ccc1F 33364686 AUPRFUNTWIUZEA-RJRFIUFISA-N 234.148 2.942 0 40 BFAB Cc1occc1C(=O)N1CCOc2ccccc21 36763858 SEFIGVHFIXWOOB-UHFFFAOYSA-N 243.262 2.627 0 40 BFAB CCc1ccc(-c2nn(C)c(N)c2C)cc1 36938074 YNIKVBQXUZHVER-UHFFFAOYSA-N 215.300 2.540 0 40 BFAB CCCCCCNC(=O)c1ccc(C)n1C 55488905 HKTLKCUJCSUOQM-UHFFFAOYSA-N 222.332 2.644 0 40 BFAB C[C@@H](Sc1ncn[nH]1)c1ccc(F)cc1 58104194 KSUXTYHRUAXVKQ-SSDOTTSWSA-N 223.276 2.797 0 40 BFAB Cc1nc(C)c(C(=O)N2CCC[C@@H](C)C2)s1 58869173 CZECUQSRDQRTGF-MRVPVSSYSA-N 238.356 2.632 0 40 BFAB CCn1cc(NC(=O)c2sccc2C)cn1 69349772 JXUOMOUEJASYPL-UHFFFAOYSA-N 235.312 2.525 0 40 BFAB CCCCCNC(=O)c1ccc(OC)c(F)c1 74946774 GEVPTIZZLZYBLA-UHFFFAOYSA-N 239.290 2.754 0 40 BFAB Nc1ccc(Cl)c(-c2ccccc2)n1 75605294 FAWFKSZKPAWITQ-UHFFFAOYSA-N 204.660 2.984 0 40 BFAB CC(C)c1noc([C@H](C)N2C[C@H]3[C@@H](C2)C3(C)C)n1 76040502 AYJNNLQROCUWFZ-GARJFASQSA-N 249.358 2.842 0 40 BFAB Cc1cnn(CCCNC[C@@H]2CC=CCC2)c1 95433933 QVAQBMVMVLOHMQ-CQSZACIVSA-N 233.359 2.528 0 40 BFAB CCC(C)(C)OC(=O)c1cc(C(C)=O)cn1C 97049072 UNSYCYHLKYEEGH-UHFFFAOYSA-N 237.299 2.573 0 40 BFAB Cc1sc2cc(F)ccc2c1CCN 107447575 MAKXSYNCAUJEIC-UHFFFAOYSA-N 209.289 2.850 0 40 BFAB C[C@H]1C[C@H](C)CC[C@H]1NCC[C@@H](C)[S@@](C)=O 195560777 OJRBYTJFTMKNKF-ZUSNOYAUSA-N 245.432 2.558 0 40 BFAB C[C@@H](OCc1cccc(Cl)c1)[C@@H]1CO1 256052916 PEHMOSCALGMHIE-KCJUWKMLSA-N 212.676 2.644 0 40 BFAB Fc1cc(OC(F)(F)F)c2nc[nH]c2c1 258839571 VXQDVMUXXIHPSX-UHFFFAOYSA-N 220.125 2.601 0 40 BFAB CC=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccn1 1775995567 VNIVTKPWBPWJNY-BETUJISGSA-N 242.322 2.795 0 40 BFAB Brc1cncc(N2CCCCC2)c1 331274 PCCXEOYPUWBFGE-UHFFFAOYSA-N 241.132 2.834 0 40 BFAB O=C(O)c1cccnc1NC1CCCCC1 351773 INQLAEJSGOOWOP-UHFFFAOYSA-N 220.272 2.524 0 40 BFAB CC(C)SCC(=O)Nc1ccccc1 949474 WXGABHJONNTAPZ-UHFFFAOYSA-N 209.314 2.767 0 40 BFAB Cc1ccc2nc(-c3cnoc3C)cn2c1 1392466 LUUORHDOABMIKV-UHFFFAOYSA-N 213.240 2.606 0 40 BFAB CCCCNC(=O)c1ccc(Br)o1 2083656 WLCPRUVNDNMRCP-UHFFFAOYSA-N 246.104 2.572 0 40 BFAB Cc1ccc(C)c(C(=O)CCCC(=O)O)c1 2378616 WPIYXOJXHQGKKO-UHFFFAOYSA-N 220.268 2.741 0 40 BFAB C/C(Cl)=C\CN1C(=O)C(=O)c2cc(C)ccc21 2471080 BVGGRKCCHFRIAK-WEVVVXLNSA-N 249.697 2.667 0 40 BFAB CCCCOc1ccc(C(=O)O)c(F)c1 2512508 FDDUDQLEOGNYIT-UHFFFAOYSA-N 212.220 2.703 0 40 BFAB biogenic O=C(O)CCCOc1cccc(Cl)c1 2599138 CAQCSGKAOBSSJY-UHFFFAOYSA-N 214.648 2.584 0 40 BFAB in-vitro O=C(CCc1cccc(F)c1)Nc1ccccn1 4710411 QPTDUAIVCQZANL-UHFFFAOYSA-N 244.269 2.792 0 40 BFAB C[C@@H](c1ccccc1)C1O[C@@H](C)[C@H](C)O1 4791949 FQSZRLNVLSXEPD-DCAQKATOSA-N 206.285 2.940 0 40 BFAB C[C@H]1Cc2cc(-c3csc(N)n3)ccc2O1 4973357 WEPCMOGXKOWFIS-ZETCQYMHSA-N 232.308 2.716 0 40 BFAB CCC(=O)Nc1ccc(N2CCCCC2=O)cc1 5441247 NXSGXPBJANACJT-UHFFFAOYSA-N 246.310 2.552 0 40 BFAB O=C(O)c1cc(N2CCCC2)nc2ccccc12 6341907 ZYHBHRZETUGWKK-UHFFFAOYSA-N 242.278 2.533 0 40 BFAB CCCCNCc1ccc(OC)c(OCC)c1 7261687 XEWWDRBWXNNTNL-UHFFFAOYSA-N 237.343 2.984 0 40 BFAB C[C@@H](NC(=O)/C=C/c1ccc(F)cc1)C1CC1 8356967 GWKSMFUXOZDKGW-WXLQGSQKSA-N 233.286 2.754 0 40 BFAB O=C(NCc1ccccc1F)[C@H]1CC=CCC1 9218187 IFTKJLBABJJPFT-NSHDSACASA-N 233.286 2.798 0 40 BFAB O=C1N[C@@H](c2ccsc2)Nc2ccccc21 9605209 PGLBWNFBCAERDG-NSHDSACASA-N 230.292 2.602 0 40 BFAB CC(=O)c1cnc2sc(C(=O)O)c(C)c2c1 12481092 YUIIWTFBCSSENC-UHFFFAOYSA-N 235.264 2.506 0 40 BFAB in-vitro NC1CCN(c2ccc(C(F)(F)F)cc2)CC1 19481415 JMYRSDQJCMLNCG-UHFFFAOYSA-N 244.260 2.633 0 40 BFAB CCOc1ccc([C@H]2C[C@@H]2[C@@H](C)N)cc1 20392464 VPECJODXZJEBMN-OASPWFOLSA-N 205.301 2.536 0 40 BFAB COc1ccc(C)cc1[C@@H](C)NC(=O)NC1CC1 22095940 CTHMFICNENYNLD-SNVBAGLBSA-N 248.326 2.526 0 40 BFAB Cc1ccc(C)c(-n2cccc2CN)c1 23993761 FPSNUOBUFWBARO-UHFFFAOYSA-N 200.285 2.553 0 40 BFAB O=C(NC(C1CC1)C1CC1)c1ccc(Cl)o1 25155453 ZYHNXEHMGXFJLH-UHFFFAOYSA-N 239.702 2.851 0 40 BFAB CSCCC(=O)N1c2ccccc2C[C@H]1C 32975251 HHPDAUPWBOBIOL-SNVBAGLBSA-N 235.352 2.717 0 40 BFAB CCCC[C@@H]1CN(OCc2ccccc2)C1=O 34875398 NJLUCYJPLCEOLR-CYBMUJFWSA-N 233.311 2.767 0 40 BFAB CC/C=C(\C)C(=O)N(C)Cc1ccco1 46041940 UNSJIHGXKYZMAL-UXBLZVDNSA-N 207.273 2.594 0 40 BFAB O[C@@H](c1cc(F)cc(F)c1)c1ccco1 55204588 ZHDRZRWIZXFAME-NSHDSACASA-N 210.179 2.640 0 40 BFAB COc1ccc(N2C=CC(C)(C)NC2=S)cc1 56656535 UZMUICXYXXKMKL-UHFFFAOYSA-N 248.351 2.682 0 40 BFAB FC(F)(F)COc1ccc(Cl)cn1 57218587 BMEAABIZRAHLIW-UHFFFAOYSA-N 211.570 2.676 0 40 BFAB in-vitro CCC(CC)(CN)N[C@@H](C)c1ccccc1 62151986 FFCYXXDRXVCEJL-LBPRGKRZSA-N 220.360 2.855 0 40 BFAB in-vitro Cc1cn(Cc2ccc(F)cc2Cl)nc1N 69760222 YFOIGCZNVURYJA-UHFFFAOYSA-N 239.681 2.615 0 40 BFAB CC(C)COc1ccccc1-c1cnc(CN)o1 72220123 YCSLJJXWTGQEHK-UHFFFAOYSA-N 246.310 2.835 0 40 BFAB c1ccc(N2N=N[C@H]3CCCCC[C@@H]32)nc1 78503025 IROWVDFNJXGYFX-QWRGUYRKSA-N 216.288 2.970 0 40 BFAB CCOC(=O)CCc1c[nH]c2ccc(OC)cc12 81971529 GLPHHVMCFVKTTF-UHFFFAOYSA-N 247.294 2.672 0 40 BFAB CC[C@H](C)C(=O)c1ccc(OC)cc1OC 82561373 SVYHIAZRTSEHQJ-VIFPVBQESA-N 222.284 2.933 0 40 BFAB Cc1ncsc1-c1nc(-c2ccccn2)no1 89565598 PPIFGITXCPZFAJ-UHFFFAOYSA-N 244.279 2.564 0 40 BFAB O=C1Nc2cccc(Br)c2[C@H]2C[C@@H]12 91692568 ICSDOBPACXLXLS-NTSWFWBYSA-N 238.084 2.505 0 40 BFAB Cc1ccc([C@@H]2CCCC(=O)N2)cc1C 91692911 BKERUTAYJJTHKL-LBPRGKRZSA-N 203.285 2.645 0 40 BFAB c1nc2c(n1C1CC1)CCN(CC1CCCC1)C2 95373392 GEDRFVCHMGNXQC-UHFFFAOYSA-N 245.370 2.766 0 40 BFAB CC(=O)c1ccc(Cl)nc1C(F)(F)F 95761249 NWFSQXLCYHFGKY-UHFFFAOYSA-N 223.581 2.956 0 40 BFAB CCC[C@@H](C)CC(=O)N=c1[nH]c2ccccc2[nH]1 95957782 ADMWAMQEJYHWPJ-SNVBAGLBSA-N 245.326 2.750 0 40 BFAB CCc1ccc([C@@H](C)N[C@]2(C)CCOC2)o1 97038537 VVSXUVAAYMXTJK-ZWNOBZJWSA-N 223.316 2.672 0 40 BFAB CCOC(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 102064292 KPSNZBHCVXBRQF-XWLWVQCSSA-N 211.305 2.557 0 40 BFAB NCCCCCCCCC/C=C\C(=O)O 118799129 ZAIVBSWJDDHIPX-NTMALXAHSA-N 213.321 2.707 0 40 BFAB Cc1cc(CN)cc(C)c1Br 159741853 JJLJSXLSZZDKNW-UHFFFAOYSA-N 214.106 2.525 0 40 BFAB Cc1nn(CCC2CCCC2)c(C)c1CCO 187198156 IBYIZYCZKZFEFD-UHFFFAOYSA-N 236.359 2.615 0 40 BFAB CCCN(c1ccccc1C)[C@@H](C)C(=O)O 224980801 DBECPJAMSYFYBP-NSHDSACASA-N 221.300 2.685 0 40 BFAB CC(C)[C@H]1COC(c2ccc(Cl)cn2)=N1 1988188025 KLSOXZAKXOXGIW-SNVBAGLBSA-N 224.691 2.536 0 40 BFAB COC(=O)c1cc2c(cn1)[nH]c1ccccc12 25301 UKHFPVCOXBJPIN-UHFFFAOYSA-N 226.235 2.503 0 40 BFAB in-vitro COc1cccc2c1N=C1OC=C[C@H]1[C@@H]2OC 113338 LTDBEQPXTVWIGW-JOYOIKCWSA-N 231.251 2.586 0 40 BFAB COc1cccc(-c2cn3cccc(N)c3n2)c1 129606 LHSVKFUBCQRYRL-UHFFFAOYSA-N 239.278 2.592 0 40 BFAB COc1ccc2nc(SC(C)=O)nc(C)c2c1 182117 OOGQAWAGWHITIV-UHFFFAOYSA-N 248.307 2.585 0 40 BFAB Cc1ccc(OCc2cn3cccnc3n2)cc1 2481229 DDEWCEXHOVGPSV-UHFFFAOYSA-N 239.278 2.617 0 40 BFAB O=C(Nc1ccccc1Cl)C(F)(F)F 3164470 PVXHGQMYBCEHRD-UHFFFAOYSA-N 223.581 2.841 0 40 BFAB COC(=O)c1cc2c(Cl)cccc2n1C 8417228 PMQWODZYXFCTTM-UHFFFAOYSA-N 223.659 2.618 0 40 BFAB CC[C@@H](Nc1cccc(C)c1C)C(=O)O 8702760 SVQFRAGBYXAPSX-SNVBAGLBSA-N 207.273 2.579 0 40 BFAB CN(Cc1ccccc1N)C(=O)OC(C)(C)C 12480801 XDVPWOBOBAYXPT-UHFFFAOYSA-N 236.315 2.636 0 40 BFAB Cc1occc1C(=O)N1CCn2cccc2[C@H]1C 12911869 GMQHKVONWKOMRT-SNVBAGLBSA-N 244.294 2.607 0 40 BFAB Cc1c(N)cccc1NC(=O)c1ccccc1F 19736325 GAPCBACGRDUQIT-UHFFFAOYSA-N 244.269 2.969 0 40 BFAB C[C@H]1C[C@@H](C)CN(C(=O)c2cc(Cl)c[nH]2)C1 30860484 CKRDLUVISVXYJK-DTORHVGOSA-N 240.734 2.786 0 40 BFAB Cc1ccc(OCC(C)C)c(C(=O)O)c1 31892982 KLVZWXIPCOTWIU-UHFFFAOYSA-N 208.257 2.728 0 40 BFAB COc1ccc([C@H](C)C(=O)O)cc1Cl 36159096 DCMZYACXRFUQET-LURJTMIESA-N 214.648 2.537 0 40 BFAB CCC[C@@H](C)N(C)Cc1nnc(-c2ccco2)o1 40513791 YZMRONBKDOCCPI-SNVBAGLBSA-N 249.314 2.950 0 40 BFAB C[C@H](C(=O)O)c1cccc(C(F)(F)F)c1 40740281 JUQMRSYCLKEWAV-LURJTMIESA-N 218.174 2.894 0 40 BFAB in-vitro CC(C)c1ccc(Cc2cc(N)on2)cc1 41228950 WWSNVGUZURIGPV-UHFFFAOYSA-N 216.284 2.971 0 40 BFAB COCCS[C@@H](CN)c1ccc(Cl)cc1 42950934 ZZDDHKPNZNHQLZ-NSHDSACASA-N 245.775 2.719 0 40 BFAB CCN(Cc1ccccc1)C(=O)CC(F)(F)F 43069973 YUQSHZGDFCPSFZ-UHFFFAOYSA-N 245.244 2.988 0 40 BFAB Cc1cccc(C(=O)c2ncco2)c1C 43210576 INLZPBRDXWQXHT-UHFFFAOYSA-N 201.225 2.522 0 40 BFAB O=C(Nc1cccc2ncccc12)N1CCCC1 43431858 TZRXNPXNWRXTGN-UHFFFAOYSA-N 241.294 2.863 0 40 BFAB O=C(N[C@@H]1CCc2ccccc21)c1ccco1 44891855 WQEPWIROHARGRB-GFCCVEGCSA-N 227.263 2.697 0 40 BFAB C[C@@H]1CCCCN1C(=O)CSC(F)(F)F 44918100 ULLJSJNEEMKWTC-SSDOTTSWSA-N 241.278 2.640 0 40 BFAB COC(=O)c1sc(-c2cccc(O)c2)nc1C 49836835 LYNDSXWVXDEJMV-UHFFFAOYSA-N 249.291 2.611 0 40 BFAB CCCN(CC1CC1)C(=O)[C@@H]1CC=CCC1 52934468 WSLRNUVOKQBCEY-CYBMUJFWSA-N 221.344 2.991 0 40 BFAB O=C1C2CCN(CC2)[C@@H]1Cc1ccc(Cl)cc1 63110722 JFDIFARZZMLJRR-CYBMUJFWSA-N 249.741 2.546 0 40 BFAB CC(C)n1cc(NC(=O)c2cccs2)cn1 66411849 FCPILRHJSYOFQV-UHFFFAOYSA-N 235.312 2.778 0 40 BFAB CCN1CCCC[C@H]1c1ccc(N)nc1C 72218577 JWFCXPDYZNTVNG-LBPRGKRZSA-N 219.332 2.519 0 40 BFAB CCN(CC(=O)O)c1ccc(C(C)C)cc1 76610632 JTRPMDVOZCKXKO-UHFFFAOYSA-N 221.300 2.721 0 40 BFAB CC[C@@H](C)C(=O)c1ccc(OC)cc1OC 82561372 SVYHIAZRTSEHQJ-SECBINFHSA-N 222.284 2.933 0 40 BFAB O=C(O)[C@@H]1CCC[C@@H]1Cc1ccccc1 84325027 HMZNQCDCGOOMDO-VXGBXAGGSA-N 204.269 2.730 0 40 BFAB in-vitro CC1CC(COc2ccc(CC(=O)O)cc2)C1 85393962 ZIAHPENZPGBDLQ-UHFFFAOYSA-N 234.295 2.739 0 40 BFAB Oc1c(Br)ccc2cc[nH]c12 89209074 IODPLXFAXMLBLH-UHFFFAOYSA-N 212.046 2.636 0 40 BFAB Cn1cccc1CCc1ccccc1O 95951674 BXEGIYFVQRNGMX-UHFFFAOYSA-N 201.269 2.516 0 40 BFAB CC[C@H](COC)NCc1ccc(C)cc1OC 95969309 ATIRXYADWVHOLE-CYBMUJFWSA-N 237.343 2.518 0 40 BFAB CCCn1cc(N[C@@H](C)Cc2ccncc2)cn1 95991567 GQJSEKPVDLWAOZ-LBPRGKRZSA-N 244.342 2.731 0 40 BFAB CO[C@@H](CNC(=O)C1CCC1)c1ccccc1C 96104905 PNIYJPIHYPVSTK-AWEZNQCLSA-N 247.338 2.599 0 40 BFAB CC[C@H](NC(=O)COC)C(C)(C)c1ccccc1 96422441 JERHATMKGNXFPP-ZDUSSCGKSA-N 249.354 2.505 0 40 BFAB CCc1ccc([C@@H](C)N[C@@]2(C)CCOC2)o1 97038541 VVSXUVAAYMXTJK-MFKMUULPSA-N 223.316 2.672 0 40 BFAB Cc1cc(O)n2cc(-c3ccc(F)cc3)nc2n1 100919975 AIFOLHBSEJZWRH-UHFFFAOYSA-N 243.241 2.549 0 40 BFAB Cc1ccc(C)c(N(C)CCCC(=O)O)c1 116366899 JKQZTVROHUXNGI-UHFFFAOYSA-N 221.300 2.604 0 40 BFAB COc1cc(F)c([Si](C)(C)C)c(F)c1 219786749 ICVKIGJHGFJDLE-UHFFFAOYSA-N 216.303 2.519 0 40 BFAB Cn1c(-c2cnc3ccccc3c2)n[nH]c1=S 228976026 SDBXKMPANGTJOR-UHFFFAOYSA-N 242.307 2.693 0 40 BFAB COC(=O)CCc1c[nH]c2cccc(Cl)c12 1857793067 ARDAMNWRSVXALS-UHFFFAOYSA-N 237.686 2.927 0 40 BFAB COc1ccccc1N1CCN(C(C)(C)C)CC1 1663858 IQIIUWCFJHTWEM-UHFFFAOYSA-N 248.370 2.616 0 40 BFAB C[C@H]1c2[nH]c3ccccc3c2C[C@H]1C(=O)O 1753213 PURWTPKEGVGRRB-VXNVDRBHSA-N 215.252 2.528 0 40 BFAB NOCc1ccc(OCc2ccccc2)cc1 1754752 IZTOBJURYIMQGU-UHFFFAOYSA-N 229.279 2.656 0 40 BFAB CC(C)CC(=O)C[C@H](O)C(Cl)(Cl)Cl 2036157 LXHWHFYGBOTFKX-ZETCQYMHSA-N 247.549 2.723 0 40 BFAB in-vitro C=CS(=O)(=O)C[C@@H](CC)CCCC 3668820 PSXUXCCYOHQSAS-JTQLQIEISA-N 204.335 2.761 0 40 BFAB Cc1sc(CCN)nc1-c1ccccc1 3708158 WFORJBLBUGLMIU-UHFFFAOYSA-N 218.325 2.620 0 40 BFAB in-vitro CCCCc1nnc(NC(=O)CCC)s1 4119309 POOPBLOWNGQJIZ-UHFFFAOYSA-N 227.333 2.619 0 40 BFAB CCCCOc1ccc(-c2nnco2)c(O)c1 5420524 TYICXRFCFOVHSR-UHFFFAOYSA-N 234.255 2.621 0 40 BFAB Cc1ccc(Oc2ncccc2N)cc1 5728592 NDCFOIJNPBIOOB-UHFFFAOYSA-N 200.241 2.765 0 40 BFAB COCc1nccc2c1[nH]c1ccccc12 11535876 OELXEULZDKMFCS-UHFFFAOYSA-N 212.252 2.863 0 40 BFAB biogenic Cc1ccc2[nH]c3c(c2c1)CCN[C@H]3C 11919678 KZXSLIJYGMWCBS-VIFPVBQESA-N 200.285 2.683 0 40 BFAB COc1ccc(C2O[C@@H](C)[C@@H](C)O2)cc1 12402997 XMOHCCOGLAVOMA-USUYBEQLSA-N 208.257 2.518 0 40 BFAB Oc1ccc(-c2nc3ccc(O)cc3o2)cc1 13583597 PDCFEVXISBNCNF-UHFFFAOYSA-N 227.219 2.906 0 40 BFAB in-vivo COC(=O)Nc1ccc(-c2cnc(C)o2)cc1 15415805 AHPDQGPQAQVPBV-UHFFFAOYSA-N 232.239 2.828 0 40 BFAB COc1ccc(C(=O)C2CCC2)cc1OC 19725789 VANQITSAOABEMP-UHFFFAOYSA-N 220.268 2.687 0 40 BFAB O=Cc1nc(Cc2ccccc2)n2ccccc12 20222639 RWZCUFHLYCUUFM-UHFFFAOYSA-N 236.274 2.738 0 40 BFAB O[C@H](CNCc1ccccc1)c1ccccc1F 32102086 NNQZIZLUNQZBSG-OAHLLOKOSA-N 245.297 2.649 0 40 BFAB O=C(O)[C@@H](Cc1ccccc1)Nc1ccccc1 37953797 ONLXDDXNWDCHRV-CQSZACIVSA-N 241.290 2.794 0 40 BFAB Nc1c(Cl)ncnc1-n1ccc2ccccc21 38213075 ZDKAWQINGKZLDH-UHFFFAOYSA-N 244.685 2.656 0 40 BFAB CCCc1c(C(=O)O)cnn1C1CCCC1 40927476 VMDGPYPRHMXODT-UHFFFAOYSA-N 222.288 2.649 0 40 BFAB in-vitro COC(=O)c1cc(C)c(C)c(Cl)c1OC 57340048 CRIYPEDFKHILEE-UHFFFAOYSA-N 228.675 2.752 0 40 BFAB CCN1CCCC[C@H]1c1cnc(NC)cc1C 72219057 KXWBPAZSKQBKOE-ZDUSSCGKSA-N 233.359 2.979 0 40 BFAB CC[C@@H](c1ccccc1)N(CCN)C1CC1 79421246 LSTZHIXDZVZVBR-AWEZNQCLSA-N 218.344 2.561 0 40 BFAB CCC[C@H](O)c1cc(OC)cc(OC)c1 82676965 OAKLIOAPEWUNDO-LBPRGKRZSA-N 210.273 2.537 0 40 BFAB Fc1ccc(-c2nccn2C2CCNCC2)cc1 82735252 JMVJEQSIFOEVPL-UHFFFAOYSA-N 245.301 2.614 0 40 BFAB CCCc1c(N)cnn1-c1ccccc1C 85634345 GFTVDCJVKQVXRE-UHFFFAOYSA-N 215.300 2.715 0 40 BFAB CN(C)CCC(=O)c1ccc(C(F)(F)F)cc1 90502430 KQRVVHHGFASAER-UHFFFAOYSA-N 245.244 2.840 0 40 BFAB C1=C(c2ccccc2)CCN(C[C@@H]2CCCN2)C1 96523680 OOWGOSCOVXMUIY-INIZCTEOSA-N 242.366 2.528 0 40 BFAB O=c1cc(-c2cccc(Cl)c2)nc(C2CC2)[nH]1 96530939 VLTQMLUFTGSPNL-UHFFFAOYSA-N 246.697 2.968 0 40 BFAB C[C@H](c1ccccn1)N(C)CCc1ccncc1 97051114 WWUKJJDVJQLRCE-CYBMUJFWSA-N 241.338 2.712 0 40 BFAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1cccnc1 105925972 KWKPDDDQIYBJTF-SDDRHHMPSA-N 230.311 2.846 0 40 BFAB CCCCC(=O)c1cccc(C(=O)OC)c1 107778784 XNJPMCIOKUYLKH-UHFFFAOYSA-N 220.268 2.846 0 40 BFAB CCN(CC)[C@H](Cc1cccc(C)c1C)C(=O)O 107843647 PZIQZHPSTFBADH-CQSZACIVSA-N 249.354 2.641 0 40 BFAB O=C(c1ccccc1)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O 135819333 GGRGOXDLLVXREZ-ZDEQEGDKSA-N 244.290 2.616 0 40 BFAB C[C@H](c1ccccc1)n1ccc(C(=O)O)c1 223722353 DLPKPDRAIMEEAZ-SNVBAGLBSA-N 215.252 2.796 0 40 BFAB CCCO[C@H](Cc1ccc(C)cc1C)C(=O)O 225027058 WHPZDLIGHOYPLY-CYBMUJFWSA-N 236.311 2.726 0 40 BFAB Cl[C@]12C[C@@H]3[C@@H]4C[C@](Cl)(O1)[C@@H]1[C@H]4C[C@H]3[C@H]12 245285401 XACQLMSONRGALD-NBIFGYNSSA-N 231.122 2.809 0 40 BFAB COc1ccc(CN2C[C@H]3CC[C@H]2C3)cc1F 255061721 ABVJYUUWBKBAQX-JQWIXIFHSA-N 235.302 2.819 0 40 BFAB Oc1cc(Br)c2cc(F)ccc2n1 2362804324 GWRRKXNDLCPANJ-UHFFFAOYSA-N 242.047 2.842 0 40 BFAB CCC(=O)NCC[C@H]1CCc2ccc(OC)cc21 21169 BURWKXUNJOXCGV-GFCCVEGCSA-N 247.338 2.641 0 40 BFAB in-vitro O=C1c2ccccc2COc2ccc(O)cc21 41170 SAQGGUMGWGCEHW-UHFFFAOYSA-N 226.231 2.516 0 40 BFAB in-vitro COc1ccc([C@H](O)c2cccs2)cc1 286319 YDQODCKLZJJDCU-LBPRGKRZSA-N 220.293 2.838 0 40 BFAB CC[C@]1(C(C)C)NC(=S)N(c2ccccc2)N1 1249012 QDQJJZJCJSEBMJ-ZDUSSCGKSA-N 249.383 2.648 0 40 BFAB Cc1oncc1-c1cn2cccc(C)c2n1 1387837 UBVHGPXVJZACOO-UHFFFAOYSA-N 213.240 2.606 0 40 BFAB CC(=O)NC1CCC(Cc2ccccc2)CC1 1697798 MHHGDPVUHFIQTH-UHFFFAOYSA-N 231.339 2.924 0 40 BFAB CC[C@@H](SC)C(=O)N(C)c1ccccc1 1869994 JVHSBXKRERUBJZ-LLVKDONJSA-N 223.341 2.791 0 40 BFAB CCCCC(=O)Nc1ccccc1OC 2176688 AKJLAWPGZYNGOP-UHFFFAOYSA-N 207.273 2.824 0 40 BFAB biogenic CCN(CC)Cc1cc(C)c(O)cc1C 2242683 XWLYWWDJKAPLDA-UHFFFAOYSA-N 207.317 2.851 0 40 BFAB OC[C@@H](NCc1ccccc1)c1ccccc1 4777957 FTFBWZQHBTVPEO-OAHLLOKOSA-N 227.307 2.510 0 40 BFAB in-vitro Cc1ccc(CNC(=O)c2ccc(O)cc2)cc1 7670966 RJAUGLDJSYASPI-UHFFFAOYSA-N 241.290 2.631 0 40 BFAB CCCCOc1cccc(/C=C/C(=O)O)c1 11954735 UVGWDDVABLTWCT-BQYQJAHWSA-N 220.268 2.963 0 40 BFAB CC1CCN([C@H](CN)c2cccc(F)c2)CC1 19255910 SKWHWOWBDCPJGZ-CQSZACIVSA-N 236.334 2.557 0 40 BFAB CC(=O)c1cccc(NC(=O)CC(F)(F)F)c1 19512574 XEABRPIJNOQAJU-UHFFFAOYSA-N 245.200 2.780 0 40 BFAB CCCCOc1ccc(CNC)cc1OC 19777043 SAJQCBAPWWCEIZ-UHFFFAOYSA-N 223.316 2.594 0 40 BFAB Cn1ccnc1SCc1ccc(Cl)nc1 19845469 UXIROIQGADYQQC-UHFFFAOYSA-N 239.731 2.761 0 40 BFAB O=C(O)c1cn[nH]c1-c1cccc2ccccc12 20439794 DKXDJIAZWUIZJM-UHFFFAOYSA-N 238.246 2.928 0 40 BFAB C[C@H](NC1CC1)c1ccc2c(c1)OCCCO2 21954981 JMPGCBMWWPRJQS-JTQLQIEISA-N 233.311 2.661 0 40 BFAB in-vitro O[C@H](c1ccc(C(F)(F)F)nc1)C(F)(F)F 25336475 HNYGGCHYEXEFKE-ZCFIWIBFSA-N 245.122 2.696 0 40 BFAB in-vitro C[C@H](OC(=O)c1ccco1)C(=O)c1ccccc1 32603787 RULAAFFTIIBITF-JTQLQIEISA-N 244.246 2.708 0 40 BFAB CC(C)C(=O)N1c2ccccc2C[C@H]1C 32975270 JHTPNWMXKSQEDQ-SNVBAGLBSA-N 203.285 2.620 0 40 BFAB CC[C@H](C)C(=O)Nc1ccsc1C(=O)OC 35177130 RFEUUDAFZMVGBJ-ZETCQYMHSA-N 241.312 2.519 0 40 BFAB CN[C@@H](c1cccnc1)c1ccc(F)cc1F 35491730 JBKGTSYIPQWMDJ-ZDUSSCGKSA-N 234.249 2.669 0 40 BFAB in-vitro CCCC(CCC)NC1CCN(C)CC1 37267065 BEQFQLCGBTYCCK-UHFFFAOYSA-N 212.381 2.639 0 40 BFAB CCOC(=O)c1cc(N)ccc1NC(C)(C)C 41079740 AHYLLFLXAVTCHT-UHFFFAOYSA-N 236.315 2.656 0 40 BFAB Cc1ccc(C(=O)c2cccc(F)c2)nc1 45028535 FEWYFLHTULRWTL-UHFFFAOYSA-N 215.227 2.760 0 40 BFAB Cc1cc(C)c(CN2CCC[C@@H]2C(=O)O)c(C)c1 53300494 CGZSNWCOOIUJFK-CQSZACIVSA-N 247.338 2.661 0 40 BFAB CNC[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F 54588435 WODRRYTVGGJGFF-SCZZXKLOSA-N 245.244 2.908 0 40 BFAB CN(C(=O)CCc1ccco1)C1CCCC1 55542676 SPBITOQEBVWBQJ-UHFFFAOYSA-N 221.300 2.613 0 40 BFAB O=C(NCC1CC1)[C@H]1C[C@@H]1c1cccc(Cl)c1 58341072 ISCDKVGXFKQCPH-OLZOCXBDSA-N 249.741 2.970 0 40 BFAB FC1(F)C=C[C@](F)(C(F)(F)Cl)O1 68591064 SZOWRDXUHNCPBE-GSVOUGTGSA-N 208.513 2.663 0 40 BFAB O=C(O)c1cc(F)ccc1-c1ccoc1 68978168 HBGKWFINXLTIAP-UHFFFAOYSA-N 206.172 2.784 0 40 BFAB in-vitro CCCCNc1ccc([C@@H]2CCCN2C=O)cn1 72213645 XSTUKYIUQNFELK-ZDUSSCGKSA-N 247.342 2.587 0 40 BFAB CCSc1ncccc1[C@H]1CCCN1C 72217167 VDBAEEACDVEACM-LLVKDONJSA-N 222.357 2.960 0 40 BFAB Cc1ccncc1C(=O)OCc1ccccc1 82046828 PJSYWRWXWPEOEL-UHFFFAOYSA-N 227.263 2.747 0 40 BFAB CCOc1ccc(CNc2nncs2)cc1 83362334 FZSPGPOBSTXKML-UHFFFAOYSA-N 235.312 2.549 0 40 BFAB Cc1ccc(C(=O)N2CCC[C@@H]3CCC[C@H]32)cn1 89652187 ACQBUCQOLVGCQZ-GXTWGEPZSA-N 244.338 2.795 0 40 BFAB CCCc1noc(CN2CCC[C@H]3CCC[C@@H]32)n1 89960512 ISQKEPXUBDYLPP-NEPJUHHUSA-N 249.358 2.787 0 40 BFAB CCCOc1c(C)cccc1CNCC 95094862 YGPZKWLVPLXDDU-UHFFFAOYSA-N 207.317 2.893 0 40 BFAB COC(=O)c1ccc(-c2ccccc2F)nc1C 95098402 YYVWAJQWUHSESY-UHFFFAOYSA-N 245.253 2.983 0 40 BFAB Cc1cn2c(n1)[C@@H](CNC1CCCCC1)CCC2 95402070 LXTGMMPOLOEHJH-CYBMUJFWSA-N 247.386 2.991 0 40 BFAB Clc1cnc(N2C[C@@H]3CC=CC[C@H]3C2)nc1 95406817 VTRUUMDWUOMEEE-UWVGGRQHSA-N 235.718 2.532 0 40 BFAB O=C(O)C1=C(C(=O)c2cccc(F)c2)CCCC1 95634402 UHUVANQNQKOMMU-UHFFFAOYSA-N 248.253 2.964 0 40 BFAB CC(C)O[C@@H](C[C@H]1CCCCN1)C(C)C 96530059 KDXHFEHNWPDEIY-OLZOCXBDSA-N 213.365 2.968 0 40 BFAB COCC(=O)N1CCC[C@@H](C)c2ccccc21 97111698 OVKZRXHPDQMQKG-LLVKDONJSA-N 233.311 2.563 0 40 BFAB CCCC(=O)OC(C(F)(F)F)C(F)(F)F 98210611 ZXEGPKMXYMVWHP-UHFFFAOYSA-N 238.127 2.823 0 40 BFAB CS[C@@H]1CC[C@H](N(C)C[C@@H]2CCCCO2)C1 110641707 FGZKQWBWHRJSSX-RWMBFGLXSA-N 243.416 2.771 0 40 BFAB CCC(=O)N(Cc1ccccc1)C[C@@](C)(O)CC 189518349 IBNXDIDYYIPIDM-HNNXBMFYSA-N 249.354 2.586 0 40 BFAB CCc1ccc(N[C@H]2CCC[C@@H]2N)cc1 218879876 MBVRPHZLWBZIRL-STQMWFEESA-N 204.317 2.541 0 40 BFAB CNCc1cc(C)n(Cc2ccccc2)c1C 223661310 DVFHDMNHCAPBBO-UHFFFAOYSA-N 228.339 2.873 0 40 BFAB C[C@@H](CC(=O)O)n1ncc(Cl)c1C(F)F 408715936 GYBZPAMWEXQRJK-BYPYZUCNSA-N 238.621 2.510 0 40 BFAB Cc1c(-c2cncc(C(F)(F)F)c2)cnn1C 665185770 HVRYZKZLKWYQOW-UHFFFAOYSA-N 241.216 2.809 0 40 BFAB C1=CO[C@H](CNc2c[nH]c3nccc-3c2)CC1 1561007155 LWDRBAGEYCCUBB-LBPRGKRZSA-N 229.283 2.619 0 40 BFAB C[C@H](Sc1ccc2ccccc2n1)C(=O)O 553695 JLYPYACZXPBHLU-QMMMGPOBSA-N 233.292 2.800 0 40 BFAB CC(=O)OCCCCCNc1ccccc1 1702701 ZOLBHIGRRJZIDM-UHFFFAOYSA-N 221.300 2.832 0 40 BFAB CCCCOc1ccccc1/C=C/C(=O)O 1791474 OPDDLSQXCASGJE-CMDGGOBGSA-N 220.268 2.963 0 40 BFAB O=C(O)[C@@H](c1c[nH]c2ccccc12)C(F)(F)F 3199460 GFOVJSGKTMFCRY-SECBINFHSA-N 243.184 2.898 0 40 BFAB Cc1cc(C)n(C(=O)[C@@H]2C[C@@H]2c2ccccc2)n1 5362247 KJGRIGIQDLUOEA-ZIAGYGMSSA-N 240.306 2.944 0 40 BFAB COC(=O)c1ccccc1-c1ccc(CN)cc1 5701406 LTSYIBPODUDLIX-UHFFFAOYSA-N 241.290 2.599 0 40 BFAB C[n+]1c([C@@]2(C)CCCO2)sc2ccccc21 5760103 GNGHUODNWAMONE-CYBMUJFWSA-N 234.344 2.751 0 40 BFAB O=C(O)c1cccc2nc(-c3ccco3)[nH]c12 6740848 PJIHCVZPLGUTGB-UHFFFAOYSA-N 228.207 2.521 0 40 BFAB O=Cc1cnc(-c2ccccc2Cl)nc1 8730970 QTAYIFAODQBBQW-UHFFFAOYSA-N 218.643 2.610 0 40 BFAB CCC[C@@]12CCC(=O)N1c1ccccc1O2 9937010 YJBPKYCKLSNZKJ-CYBMUJFWSA-N 217.268 2.702 0 40 BFAB Cc1occc1-c1nc2n(n1)C[C@H]1C=CC=C[C@@H]21 11667643 IEKXYVIWLVCFPS-ZYHUDNBSSA-N 239.278 2.686 0 40 BFAB Cc1cc(N2CCc3ccccc3C2)ccn1 13489844 AKEQXIQPNAIIMS-UHFFFAOYSA-N 224.307 2.953 0 40 BFAB C[C@H](C(=O)c1ccc(N)cc1)N1CCCCCC1 13887260 DAVCBSHRMJPJMY-GFCCVEGCSA-N 246.354 2.716 0 40 BFAB Sc1nnc(C23CC4CC(CC(C4)C2)C3)[nH]1 15924363 WKRWTBCGOUPNAO-UHFFFAOYSA-N 235.356 2.561 0 40 BFAB CCOc1ccc(NCC2=CCNC=C2)cc1 19419184 XKTASGIUILDQRK-UHFFFAOYSA-N 230.311 2.541 0 40 BFAB C=CS(=O)(=O)Oc1ccc2ccccc2c1 20064381 TXVQFMUZRPCEJI-UHFFFAOYSA-N 234.276 2.692 0 40 BFAB COc1ccccc1-c1ccc(C(N)=S)cc1 32101287 JBDYPDHMFSDANG-UHFFFAOYSA-N 243.331 2.996 0 40 BFAB CNC(=O)C1(c2ccc(Cl)cc2)CCCC1 32999468 BSQRACXMASPDSH-UHFFFAOYSA-N 237.730 2.898 0 40 BFAB FC(F)(F)OCCNc1ccccc1 34481192 AJDMRDXCYIXSJC-UHFFFAOYSA-N 205.179 2.635 0 40 BFAB CCNC(=O)Nc1ccccc1Br 34938308 WKGSAXOASSCAIP-UHFFFAOYSA-N 243.104 2.591 0 40 BFAB NC1(c2noc(C(F)(F)F)n2)CCCCCC1 36379473 UVFUFIMSEOYBPC-UHFFFAOYSA-N 249.236 2.597 0 40 BFAB in-vitro CCCCCCNCCN[C@@H](C)CC 39712258 GHJVTHBAUWPMLU-LBPRGKRZSA-N 200.370 2.544 0 40 BFAB Cc1noc(COc2ccc(F)cc2Cl)n1 40049331 ADNMTDFHDUTAMG-UHFFFAOYSA-N 242.637 2.750 0 40 BFAB Fc1cc(Cl)ccc1C1OCCO1 44228367 GAKAAHWEJMICRZ-UHFFFAOYSA-N 202.612 2.525 0 40 BFAB CNC(=O)N[C@@H]1CC(C)(C)Cc2oc(C)cc21 47717419 QRTIJDNZKAYSBZ-SNVBAGLBSA-N 236.315 2.531 0 40 BFAB Cc1ccoc1C(=O)N1CCOc2ccccc21 48304034 JHSXPZXURRLITM-UHFFFAOYSA-N 243.262 2.627 0 40 BFAB CSCCC(=O)c1c(F)cccc1F 69984328 RSFKHNPXHQTELU-UHFFFAOYSA-N 216.252 2.901 0 40 BFAB Cc1cc([C@@H](N)C(F)(F)F)ccc1F 71510203 ZBOWUJJDCNGTEL-MRVPVSSYSA-N 207.170 2.696 0 40 BFAB Cc1ccc2c(CCC(=O)O)ccnc2c1C 72206440 WNLXPXSKPSBXDB-UHFFFAOYSA-N 229.279 2.869 0 40 BFAB C[C@H](O)Cc1ccc(Br)c(F)c1 72305103 XBTSZRSKEJIMAR-LURJTMIESA-N 233.080 2.512 0 40 BFAB in-vitro Cc1cc(C)nc([C@H]2CCCN2C(C)C)n1 72356996 LZBFOCSNGSCEJE-GFCCVEGCSA-N 219.332 2.639 0 40 BFAB c1csc(-c2oncc2-c2cnccn2)c1 72398418 RCIATWIFOMKKJA-UHFFFAOYSA-N 229.264 2.860 0 40 BFAB Cc1csc(-c2cccc(NCCO)c2)n1 75103457 NFGJUVDSPPXWTP-UHFFFAOYSA-N 234.324 2.523 0 40 BFAB O=C(O)[C@@H](c1ccncc1)C1CCCCC1 83010680 LCOQAOKOYAJCQQ-GFCCVEGCSA-N 219.284 2.830 0 40 BFAB Cc1cc(F)cc(C(=O)CCCC(=O)O)c1 95634337 VPAAZIRDNALTAQ-UHFFFAOYSA-N 224.231 2.572 0 40 BFAB O[C@H](c1cc(F)c(F)c(F)c1)c1ccccn1 95727438 UBZBADAHIOXCMA-GFCCVEGCSA-N 239.196 2.581 0 40 BFAB CCCOc1cc([C@H](C)O)cc(F)c1F 95739568 ISUKTXMIVNDKTC-ZETCQYMHSA-N 216.227 2.807 0 40 BFAB CCc1ccc(COC2CC3(CNC3)C2)cc1 96509089 DJDAHWBOZVUHDU-UHFFFAOYSA-N 231.339 2.518 0 40 BFAB Cc1cn2c(n1)sc1cc(C(=O)O)ccc12 96516517 JXGJQWCTOXGAKE-UHFFFAOYSA-N 232.264 2.556 0 40 BFAB CC(C)Oc1cccc(C(=O)C(F)F)c1 98210196 XPFCJUAZKFMTCN-UHFFFAOYSA-N 214.211 2.922 0 40 BFAB in-vitro CC(C)(C)Cn1c(N)nc2ccc(Cl)nc21 143813698 JABCUOLFBUKEFX-UHFFFAOYSA-N 238.722 2.713 0 40 BFAB COC(=O)[C@@H]1CC[C@H]1Sc1ccccc1 217792242 QWRZVWSQDKEBDJ-GHMZBOCLSA-N 222.309 2.730 0 40 BFAB CCC(=O)NCCSC1CCCCC1 222753655 CKEQZWIGATUZCX-UHFFFAOYSA-N 215.362 2.579 0 40 BFAB CN[C@H]1CC[C@H](Cc2ccc(C(=O)O)cc2)CC1 257282447 OTURIXLONVUPGB-MQMHXKEQSA-N 247.338 2.706 0 40 BFAB CCc1ccccc1N(C)[C@H](CC)C(=O)O 260679641 UFCNZZRUEBIFBG-LLVKDONJSA-N 221.300 2.548 0 40 BFAB Cc1csc(C(=O)N[C@H]2CCCC2(F)F)c1 398024242 JIXZMLAEFZIMIW-VIFPVBQESA-N 245.294 2.974 0 40 BFAB Cc1ccc([C@H]2C[C@@H]2c2cc(N)n(C)n2)cc1 575422584 ICQQLVIYIQXXPZ-NEPJUHHUSA-N 227.311 2.582 0 40 BFAB CCOC(=O)c1c(Cl)cc(C)nc1C 1676958 KBTAWKCADOMPGE-UHFFFAOYSA-N 213.664 2.529 0 40 BFAB CS(C)(=O)=Nc1ccc(Cl)cc1 1865576 GENGCYWIQHRTDA-UHFFFAOYSA-N 203.694 2.699 0 40 BFAB Nc1ccccc1-c1nnc(-c2ccccc2)o1 4255727 BRUOFARTOPHRMH-UHFFFAOYSA-N 237.262 2.986 0 40 BFAB CC(C)(C)OC(=O)CCNC1CCCCC1 5066418 YHEGEGRJAGMVKA-UHFFFAOYSA-N 227.348 2.641 0 40 BFAB CCc1nc(NC)c2oc3ccccc3c2n1 5278215 BARKODVGGORCBR-UHFFFAOYSA-N 227.267 2.980 0 40 BFAB COc1ccc(C(=O)N2CCCC[C@@H]2C)cc1 5533456 SGLSSNVBXPORFL-NSHDSACASA-N 233.311 2.710 0 40 BFAB O=C(Nc1noc2ccccc12)c1ccco1 6810184 DZOWQBCQBLGNNM-UHFFFAOYSA-N 228.207 2.673 0 40 BFAB O=C(Cc1ccc(O)cc1)NC1CCCCCC1 7278444 HKSXWDYUMJLSJU-UHFFFAOYSA-N 247.338 2.774 0 40 BFAB Cc1cc2ccccc2n1[C@@H](C)C(=O)O 8702174 VMPIDMASVXEVNM-VIFPVBQESA-N 203.241 2.595 0 40 BFAB C[C@@H](C(=O)Nc1ccc(Cl)cc1)n1cccn1 12849787 NOCJBJFNTBJRDM-VIFPVBQESA-N 249.701 2.736 0 40 BFAB OC[C@H]1CCCN(c2nc3ccccc3s2)C1 14235584 VCSQMSVLVVGIPJ-JTQLQIEISA-N 248.351 2.505 0 40 BFAB COc1cccc([C@H]2NCCc3ccccc32)c1 19624695 NGPJOPHIUICRDB-MRXNPFEDSA-N 239.318 2.930 0 40 BFAB C[C@H]1CCCC[C@@H]1NCc1ccccn1 19957008 FOZLLACWSWHDHX-AAEUAGOBSA-N 204.317 2.750 0 40 BFAB FCCOCc1cccc(Br)c1 34450272 DUUGXWMILYGNEH-UHFFFAOYSA-N 233.080 2.935 0 40 BFAB CC[C@@H](C)Oc1ccc(CNC)cc1OC 34816856 HKGAQYLBXHSESL-SNVBAGLBSA-N 223.316 2.592 0 40 BFAB NC1(c2c(Cl)cccc2Cl)CC1 34963515 KJPZICKCPVBIOB-UHFFFAOYSA-N 202.084 2.941 0 40 BFAB in-vitro C=CC(=O)N[C@H](C)c1ccc(Cl)cc1 36334432 NNYJZXPARSFSKE-MRVPVSSYSA-N 209.676 2.703 0 40 BFAB O=C1COc2cc(Cl)cc(Cl)c21 36813836 VUYJDXGTXGRKAC-UHFFFAOYSA-N 203.024 2.569 0 40 BFAB in-vitro O=C(Cc1cccc(F)c1)c1cccnc1 37992323 ZPZLJLFWFORZTE-UHFFFAOYSA-N 215.227 2.646 0 40 BFAB O[C@H]1CCCC[C@H]1OCc1ccccc1 38917029 OZOOGFVOCPMNTN-QWHCGFSZSA-N 206.285 2.507 0 40 BFAB O=C(O)c1cc2sc(Cl)cc2[nH]1 40974876 OWJRYNILRVVVFK-UHFFFAOYSA-N 201.634 2.581 0 40 BFAB in-vitro O=C(O)c1cccnc1-c1cccc(F)c1 41229471 ORUDTMKJDTXBQF-UHFFFAOYSA-N 217.199 2.586 0 40 BFAB Cc1ccc([C@@H](C(=O)O)N2CCCCC2)s1 41677070 GSAGEGUORBPLOE-NSHDSACASA-N 239.340 2.668 0 40 BFAB C[C@@H](N)CCc1ccc(C(F)(F)F)cc1 43512121 VIKDXDCISOHOLL-MRVPVSSYSA-N 217.234 2.985 0 40 BFAB O=C(NCc1ccoc1)c1cc2ccccc2[nH]1 45783878 YYQKFVWVILDLQF-UHFFFAOYSA-N 240.262 2.691 0 40 BFAB CNc1cccc(NC(=O)c2ccco2)c1 62796618 TWJMCDAMRLUQDS-UHFFFAOYSA-N 216.240 2.574 0 40 BFAB CCN1CCCC[C@@H]1c1cc(C)ccn1 72211201 WWLASKOHCPXRIO-CYBMUJFWSA-N 204.317 2.937 0 40 BFAB Cc1nccc(N2CCC[C@H]2c2ccccn2)n1 72357340 KTGAVBNZIYVCPR-ZDUSSCGKSA-N 240.310 2.522 0 40 BFAB CCC[C@@H]1c2cccn2CCN1Cc1ncc[nH]1 72368006 GQNDWOOURHGAJT-GFCCVEGCSA-N 244.342 2.568 0 40 BFAB CC(C)(C)C(=O)N1CCCC[C@@H]1c1cnccn1 72383308 HYYLVYDWEIPOAG-GFCCVEGCSA-N 247.342 2.576 0 40 BFAB Cc1[nH]ccc1C(=O)N1CCCc2ccccc21 74716854 MWUYDGCZMHEYML-UHFFFAOYSA-N 240.306 2.916 0 40 BFAB CNC1CCN(CC/C=C/c2ccccc2)CC1 79438629 PGEDAWRQGWMTAL-WEVVVXLNSA-N 244.382 2.774 0 40 BFAB CC(C)COc1ccccc1[C@@H]1C[C@@H]1CN 80441723 RJVKMTDEGZFHTQ-DGCLKSJQSA-N 219.328 2.784 0 40 BFAB CNc1nc2c(s1)C[C@@H](C(F)(F)F)CC2 82862547 SDUGDWUNKNSXCE-YFKPBYRVSA-N 236.262 2.852 0 40 BFAB CSc1ccc2c(c1)C(C)(C)C(=O)N2 85392328 PVDQQQLFNLNQBC-UHFFFAOYSA-N 207.298 2.638 0 40 BFAB CC(=O)N1CCCc2c(Cl)ccc(F)c21 89930559 HYSYFSWUEXRKBY-UHFFFAOYSA-N 227.666 2.778 0 40 BFAB COCc1ccc(Br)c(C)c1 90413256 WWCHJZKMDLBMPC-UHFFFAOYSA-N 215.090 2.904 0 40 BFAB Cn1c(C=O)cc2ccc(Br)cc21 91294515 VJGLQRJZOPPFPO-UHFFFAOYSA-N 238.084 2.753 0 40 BFAB COc1ccc(Cl)cc1SC(C)=O 95731003 OLRULABEZJGGRI-UHFFFAOYSA-N 216.689 2.987 0 40 BFAB CCC[C@](C)(O)c1ccc(N(C)C)cc1 95739331 DVRGWDXRSZIENZ-ZDUSSCGKSA-N 207.317 2.760 0 40 BFAB CCN(C(=O)OC(C)(C)C)c1ccncc1 96461107 HQHCOYBKMNJBQF-UHFFFAOYSA-N 222.288 2.843 0 40 BFAB C[C@H](NC(=O)C(C)(C)C)[C@@H]1C[C@@H]2CC[C@@H]1C2 100846397 OQNMQGCHGSHCCA-QCNOEVLYSA-N 223.360 2.973 0 40 BFAB CC(C)C(=O)N1C[C@@]2(C)C[C@H]1C(C)(C)C2 101640318 HEQQZUCVZCTPRA-GWCFXTLKSA-N 209.333 2.680 0 40 BFAB Cc1cc(C(=O)CC(=O)C(C)C)c(C)o1 108308411 OLKWSDINHURXTF-UHFFFAOYSA-N 208.257 2.694 0 40 BFAB C[C@@H]1CCCc2nc3cc(C(=O)O)ccc3n21 141959285 IYKUPGSBNCHIOA-MRVPVSSYSA-N 230.267 2.632 0 40 BFAB FC(F)(F)c1ccccc1[C@@]12CNC[C@H]1C2 148342831 ZNYIEGHDMZPTGT-KCJUWKMLSA-N 227.229 2.566 0 40 BFAB Brc1cccc2c1NC[C@H]1C[C@@H]21 225812285 PEEUHBCOALDYJS-HTRCEHHLSA-N 224.101 2.978 0 40 BFAB CC(C)n1c(Cc2ccco2)ccc1C(=O)O 226031562 PCEWNJSNYUDLAZ-UHFFFAOYSA-N 233.267 2.951 0 40 BFAB Cc1ccnc(NC2Cc3ccccc3C2)c1 228845537 AOPCBOFJSKFOKL-UHFFFAOYSA-N 224.307 2.969 0 40 BFAB CCCn1cc(NCc2ccco2)c(C)n1 256051776 KLQFMUOVWLLRLZ-UHFFFAOYSA-N 219.288 2.807 0 40 BFAB CC[C@@H](C)n1ccc(COCC(F)(F)F)n1 408716652 PEWOVGTYDKRTOW-MRVPVSSYSA-N 236.237 2.933 0 40 BFAB Cc1cnc(Nc2ccccc2Cl)nc1O 408981314 VQMRKISMFVYDMK-UHFFFAOYSA-N 235.674 2.888 0 40 BFAB FC(F)c1ccc(N2CCOCC2)s1 575629326 QHCBOZLHZAJIHP-UHFFFAOYSA-N 219.256 2.522 0 40 BFAB O=C(O)C[C@@H]1COc2c1ccc1ccccc21 585656393 SKLDOUZOOMQVMI-SNVBAGLBSA-N 228.247 2.791 0 40 BFAB NCCc1cc2sccc2nc1C(F)(F)F 722754305 YZEGSQPFEMOSAT-UHFFFAOYSA-N 246.257 2.816 0 40 BFAB CC(=O)N1C=CC(=Cc2ccccc2)C=C1 1572079 DZCBWYLPNKDPLT-UHFFFAOYSA-N 211.264 2.960 0 40 BFAB CCOC(=O)c1cc(OCC)nc2ccccc12 1628182 ACRCVSPHSCPKGT-UHFFFAOYSA-N 245.278 2.810 0 40 BFAB CN[C@@H](Cc1ccc(O)cc1)c1ccc(O)cc1 1667171 RQAVSHSVHJJZQG-HNNXBMFYSA-N 243.306 2.601 0 40 BFAB CN[C@H](c1ccccc1)[C@@H](O)c1ccccc1 1718673 BLDFSDCBQJUWFG-CABCVRRESA-N 227.307 2.681 0 40 BFAB CN1CCCC[C@H]1C[C@H](O)c1ccccc1 4098599 GOWRYACIDZSIHI-KBPBESRZSA-N 219.328 2.594 0 40 BFAB biogenic,in-vitro CO[C@@H](C(=O)NCCC(C)C)c1ccccc1 6306725 OLBZUDNCYKITCM-CYBMUJFWSA-N 235.327 2.536 0 40 BFAB O=C(NCc1cccs1)C1CCCC1 6334843 LLLAINVWBBLUSS-UHFFFAOYSA-N 209.314 2.555 0 40 BFAB O=C(Nc1onc2c1CCCC2)c1cccs1 8736928 DRBNRPJCXMFOLM-UHFFFAOYSA-N 248.307 2.867 0 40 BFAB C[C@@H]1CCCCN1C(=O)c1cc(C2CC2)on1 13363689 KVDKMTXBXMNYPD-SECBINFHSA-N 234.299 2.567 0 40 BFAB Cc1ccc(CCC(=O)NCc2ccco2)cc1 13608596 PBHNPMHKDQQJDQ-UHFFFAOYSA-N 243.306 2.837 0 40 BFAB c1ccn2cc(-c3ccc4c(c3)CCN4)nc2c1 14001351 XBVICIPTTKOKJW-UHFFFAOYSA-N 235.290 2.969 0 40 BFAB CCc1cccc(OCC2CCNCC2)c1 14631456 OSFFAULAHRHZGU-UHFFFAOYSA-N 219.328 2.627 0 40 BFAB Fc1ccc(O[C@H]2CCCNC2)c(Cl)c1 14631630 RXOAMMSCBMWHSC-VIFPVBQESA-N 229.682 2.610 0 40 BFAB c1ccc2cc(O[C@H]3CCCNC3)ccc2c1 14631787 AFAHCPYVSZXOAZ-HNNXBMFYSA-N 227.307 2.971 0 40 BFAB Fc1cccc(OCC[C@@H]2CCCCN2)c1 14632325 NMBDDHVNNABJSB-LBPRGKRZSA-N 223.291 2.737 0 40 BFAB in-vitro Cc1cccc(C(=O)C[C@@H](C)CC(=O)O)c1 15441730 PKXDEXNTZYEKAT-SNVBAGLBSA-N 220.268 2.679 0 40 BFAB CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)c2ccccc21 20357621 REHNRWSWBXHXSB-VXGBXAGGSA-N 249.310 2.690 0 40 BFAB CCC(=O)CC(=O)c1ccc(F)c(F)c1 20375648 FKSNNZZMCGHZMZ-UHFFFAOYSA-N 212.195 2.517 0 40 BFAB CCOC(=O)COc1cc(C)cc(C)c1C 20431404 FZNOVXBANYNJSI-UHFFFAOYSA-N 222.284 2.554 0 40 BFAB Cc1ccc(-c2cc(C(=O)O)on2)c(C)c1 26514485 PJFMQKDNOITOFE-UHFFFAOYSA-N 217.224 2.657 0 40 BFAB N[C@@H](CCC(=O)O)c1ccc(Cl)c(Cl)c1 37378005 XXABZGITVFYWRM-VIFPVBQESA-N 248.109 2.858 0 40 BFAB in-vitro COc1ccc(-c2ccncc2)cc1F 38276511 SSQRKGMAMVYKQY-UHFFFAOYSA-N 203.216 2.896 0 40 BFAB C[C@@H](Cc1ccco1)NC(=O)C1CCCC1 40050124 ZUTFXBSEUOIYDS-JTQLQIEISA-N 221.300 2.517 0 40 BFAB CCC(=O)NCCCSc1ccccc1 40458938 KVSDVIDEUQWUTP-UHFFFAOYSA-N 223.341 2.695 0 40 BFAB CCC(C)(C)NC(=O)Cc1cccc(F)c1 42137992 GEGDRIGDKVMFFG-UHFFFAOYSA-N 223.291 2.673 0 40 BFAB C[C@H]1CCCCN1C[C@H](O)c1ccc(F)cc1 58304646 JLGVWZSFGRLYAO-FZMZJTMJSA-N 237.318 2.734 0 40 BFAB Cc1ccc([C@@H]2CCCN2C(C)C)cn1 72211238 ICDCUNJBFATMKI-ZDUSSCGKSA-N 204.317 2.935 0 40 BFAB CSc1cc(C)c(N)c(SC)c1N 75624530 AOFIWCXMXPVSAZ-UHFFFAOYSA-N 214.359 2.603 0 40 BFAB CC(C)CSc1ccc(CCO)cc1 83230057 VXJJVCLSRZQBKV-UHFFFAOYSA-N 210.342 2.970 0 40 BFAB CCN(C)C(=O)NC[C@@H](C)Cc1cccs1 84760745 MNQRQTXUELGVOF-JTQLQIEISA-N 240.372 2.588 0 40 BFAB Cc1ccc(Nc2ncc(C(=O)O)s2)cc1 87663745 XNSCKRHQPCCELP-UHFFFAOYSA-N 234.280 2.893 0 40 BFAB CC(C)=CCC[C@H](C)N[C@H]1CCc2[nH]ncc2C1 90454971 RUYGUJWLUBXEDO-JSGCOSHPSA-N 247.386 2.992 0 40 BFAB CN(C)c1ccc(C(=O)C(F)(F)Cl)cc1 95916783 DKCNPOKJTYZGAI-UHFFFAOYSA-N 233.645 2.767 0 40 BFAB CC[C@H](C)[C@@H](C)NCc1nc(CC(C)C)no1 95986398 JNAZGLGHMJYPTK-WDEREUQCSA-N 239.363 2.792 0 40 BFAB CC(=O)Oc1cc(Cl)c(C=O)c(Cl)c1 96179469 OWYIYIOLZRIQJL-UHFFFAOYSA-N 233.050 2.731 0 40 BFAB CCNC(=O)[C@H](Cc1ccccc1)C(C)C 96416400 WJZDBABZFUMBFK-CYBMUJFWSA-N 219.328 2.637 0 40 BFAB Cc1cccc(-c2nc([C@H]3CCOC3)no2)c1 98019209 RLXULDNFPYEKFN-NSHDSACASA-N 230.267 2.549 0 40 BFAB CC(=O)N[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1c1ccccc1 104345077 MNUMESDXWPVHHF-AJNGGQMLSA-N 229.323 2.705 0 40 BFAB CCOc1ccccc1[C@@H]1C[C@H]1[C@H](C)N 108019072 MGOCNVGBTKLNMA-DLOVCJGASA-N 205.301 2.536 0 40 BFAB Cc1cc(C)n(Cc2ccccc2F)n1 111549677 PVYSWCZMGKSPCT-UHFFFAOYSA-N 204.248 2.687 0 40 BFAB Cc1nc(C(=O)N2c3ccccc3C[C@@H]2C)co1 188111421 DIMXOAAKAOVCNZ-VIFPVBQESA-N 242.278 2.574 0 40 BFAB Cc1ccccc1N1CCN[C@H]2CCCC[C@H]21 218832101 FMXQQXOGVOSOTD-DZGCQCFKSA-N 230.355 2.716 0 40 BFAB Cc1ccc(C)c(N2CCN[C@H]3CCC[C@@H]32)c1 225717041 ZPJDLBYDCKSVLK-KBPBESRZSA-N 230.355 2.634 0 40 BFAB CN(CCSC(C)(C)C)CC1CCOCC1 225786196 VWRLVTCFNRWJJQ-UHFFFAOYSA-N 245.432 2.877 0 40 BFAB c1cc2c(cc1CN1C[C@H]3CC[C@H]1C3)CCO2 247750408 YXFOQKLZASZLLU-JSGCOSHPSA-N 229.323 2.606 0 40 BFAB CC(C)[C@H]1OCC[C@@]23C[C@@H](C[C@H]12)C(C)(C)[C@H]3O 257223680 DYMBGVMGBAXILL-FTQJZPFOSA-N 238.371 2.845 0 40 BFAB O=C1Cc2ccc(O)cc2C=C2C=CC=C[C@H]12 1569992327 YLXUQJAOSGAWTO-AWEZNQCLSA-N 224.259 2.643 0 40 BFAB CCO[C@@H]1[C@H]2C[C@@H]1CN(Cc1ccccc1)C2 1889103111 PJWPBTPFXWNTDK-FICVDOATSA-N 231.339 2.543 0 40 BFAB CC[C@H](C)C(=O)Nc1nnc(C(C)C)s1 380321 KHMSEFDOKHSBAO-ZETCQYMHSA-N 227.333 2.646 0 40 BFAB Cc1ccc(C)c2nc(Cl)c(CO)cc12 421638 IANOUAKORKRCMR-UHFFFAOYSA-N 221.687 2.997 0 40 BFAB O=C(COc1ccccc1)Oc1ccccc1 441956 PJANUNZPZUHMPM-UHFFFAOYSA-N 228.247 2.671 0 40 BFAB C[C@@H]1CC(C)(C)N[C@@H](c2ccccc2)O1 1678143 LIYXZGJOUFBNHP-ZYHUDNBSSA-N 205.301 2.862 0 40 BFAB CCOP(=O)(OCC)[C@H](N)[C@@H](C)CC 1707655 WLXZADYPHWHTPD-IUCAKERBSA-N 223.253 2.583 0 40 BFAB CN[C@H](CCCCC1CCCCC1)C(=O)O 1724695 NAQAWRVPZJMBRI-GFCCVEGCSA-N 227.348 2.800 0 40 BFAB COP(=O)(Cc1ccccc1C)OC 2524673 ADYWFAOCMDTECN-UHFFFAOYSA-N 214.201 2.981 0 40 BFAB COc1ccc(-c2ccc(N)cc2)c(OC)c1 2528998 LLTSZYXEIOVGIH-UHFFFAOYSA-N 229.279 2.953 0 40 BFAB O=C(Nc1ccc(Cl)cc1)OCCF 3102819 YAZHFOPJDOTVPS-UHFFFAOYSA-N 217.627 2.858 0 40 BFAB CCc1cccc(Br)c1O 3613418 KTIRRDOBTNZKNL-UHFFFAOYSA-N 201.063 2.717 0 40 BFAB CC(C)[C@@H](N)c1ccc2c(c1)OCCCO2 4207077 DTYBGRRLUKEBOY-CYBMUJFWSA-N 221.300 2.504 0 40 BFAB O=C1CCOc2c(Cl)ccc(Cl)c21 5427747 LYBJCESWEFSPNO-UHFFFAOYSA-N 217.051 2.959 0 40 BFAB in-vitro CCOc1ccc(NC(=S)NC(C)C)cc1 7522773 JTEIMKYZCSBNKF-UHFFFAOYSA-N 238.356 2.780 0 40 BFAB Cc1cc(C)cc(Nc2ncnc3[nH]ncc23)c1 12574088 XFUZGHMUGJTNHM-UHFFFAOYSA-N 239.282 2.713 0 40 BFAB C[C@@H](NC(=O)C1CCC1)c1cccs1 12890380 NDLAENYFCCFFRT-MRVPVSSYSA-N 209.314 2.725 0 40 BFAB CSCc1cccc(C(=O)N2CCCC2)c1 12973387 QJDVIJYRHADOQN-UHFFFAOYSA-N 235.352 2.786 0 40 BFAB COC1=CC(=O)O[C@@H](/C=C\c2ccccc2)C1 13704159 XEAQIWGXBXCYFX-KRZKBDHCSA-N 230.263 2.546 0 40 BFAB endogenous,in-man CCN(CC)CCOc1c(N)cccc1Cl 14629194 SPCFJXBDMYAHLL-UHFFFAOYSA-N 242.750 2.643 0 40 BFAB c1ccc2cc(OC3CCNCC3)ccc2c1 14631950 CBPIGRLQUAFSQT-UHFFFAOYSA-N 227.307 2.971 0 40 BFAB CCN(CC)C(=O)[C@@H]1C[C@@H]1c1ccccc1 16037321 FTDZCEDFSJFQCS-CHWSQXEVSA-N 217.312 2.659 0 40 BFAB Cc1ccc(CNCc2ccncc2)cc1F 16941710 YAYVOMXTLHSGCI-UHFFFAOYSA-N 230.286 2.819 0 40 BFAB in-vitro CCOC(=O)/C=C\c1ccccc1Cl 17197599 ILTRCHMHGZQVGO-FPLPWBNLSA-N 210.660 2.916 0 40 BFAB Cc1cc(Cl)c(Cl)c(N)c1N(C)C 22121910 QCERACUIGFONOI-UHFFFAOYSA-N 219.115 2.950 0 40 BFAB O=C(Nc1ccc(-c2cc[nH]n2)cc1)C1CCC1 29278445 FLKWYJADPUTIOS-UHFFFAOYSA-N 241.294 2.815 0 40 BFAB C[C@H]1CCCN([C@H]2OC(=O)c3ccccc32)C1 35092908 JYKDZGJVWHHXFP-GWCFXTLKSA-N 231.295 2.588 0 40 BFAB COc1ccc(C)cc1[C@H](O)c1ccco1 40264165 IVKNLEWLCYJDGC-ZDUSSCGKSA-N 218.252 2.678 0 40 BFAB Clc1cccc(Cl)c1OCC1OCCO1 41302612 CRSBWITYQDRROQ-UHFFFAOYSA-N 249.093 2.745 0 40 BFAB O=C(NCCc1ccc(Cl)s1)C1CCC1 49008010 FZXMYICQJRBMGQ-UHFFFAOYSA-N 243.759 2.860 0 40 BFAB CC(C)c1cc(NC(=O)c2ccc(F)cc2)[nH]n1 49044568 ZROCCBVLHQVNCU-UHFFFAOYSA-N 247.273 2.925 0 40 BFAB CC(C)CN(C(=O)Cc1cccc(N)c1)C(C)C 52923047 UPXCCIFMOBRHOQ-UHFFFAOYSA-N 248.370 2.704 0 40 BFAB C[C@H](CN)Cc1ccccc1Br 52946712 KMLUVNIXDFXQKC-QMMMGPOBSA-N 228.133 2.586 0 40 BFAB COc1ccc(OCCC[C@H](C)C(=O)O)cc1 57529299 VXENOFYFHYCDRJ-JTQLQIEISA-N 238.283 2.575 0 40 BFAB in-vitro CCO[C@H](CN)c1ccc(C(F)(F)F)cc1 62711974 REBJGQXEPNIDRT-SNVBAGLBSA-N 233.233 2.742 0 40 BFAB CCc1nc2cc(Br)ccc2[nH]1 62807344 MXZRWGLRCREKFP-UHFFFAOYSA-N 225.089 2.888 0 40 BFAB CCNC(=O)C[C@@H](C)CCc1ccccc1 65517328 RONHWNZQWPSGKY-LBPRGKRZSA-N 219.328 2.782 0 40 BFAB OCc1cc(-c2ccc3ccccc3c2)on1 66113140 GXLSAFMQEJCNDM-UHFFFAOYSA-N 225.247 2.987 0 40 BFAB Cc1cc([C@@H](O)c2ccoc2)ccc1F 68890736 IUKZZDVGQRAGRK-GFCCVEGCSA-N 206.216 2.809 0 40 BFAB Cc1nc(C(=O)Oc2cccc(F)c2)cs1 69312280 QSJXUTGIVOLFQB-UHFFFAOYSA-N 237.255 2.810 0 40 BFAB Cc1ccoc1C(=O)N1CCCc2ncccc21 69349324 LKCBCZCBOCNOGU-UHFFFAOYSA-N 242.278 2.576 0 40 BFAB O=Cc1c(-c2cccs2)noc1Cl 71976701 UWODAJUJLBHVQP-UHFFFAOYSA-N 213.645 2.869 0 40 BFAB CSc1ncccc1[C@@H]1CCCCN1 72216953 OGQGLJPJGMZJOV-JTQLQIEISA-N 208.330 2.618 0 40 BFAB Cc1cc(CN)cnc1N1CCc2ccccc21 72222895 DSAIJIBMRHYECE-UHFFFAOYSA-N 239.322 2.543 0 40 BFAB Cc1c(C(=O)O)ccn1-c1cccc(F)c1 75420449 MXXLCZQWCRQIHF-UHFFFAOYSA-N 219.215 2.623 0 40 BFAB c1ccc2c(c1)CCCCN2C1CCNCC1 88333741 VEXUJZJSMVZMMI-UHFFFAOYSA-N 230.355 2.581 0 40 BFAB CC(C)[C@@H]1CCc2ccccc2N1CCCO 95446837 MVMNRICVSGPJMV-AWEZNQCLSA-N 233.355 2.846 0 40 BFAB CCCc1nc(CSCc2ccccn2)no1 96494686 PQLJIXUUBKZEHP-UHFFFAOYSA-N 249.339 2.851 0 40 BFAB CC[C@@H](O)Cc1cccc(OC(C)C)c1 96543523 RABXYZVIFICCDX-GFCCVEGCSA-N 208.301 2.787 0 40 BFAB Cc1cscc1C(=O)Nc1ccncc1F 97032098 IXJFKQQKGPMPCB-UHFFFAOYSA-N 236.271 2.843 0 40 BFAB C[C@@]12CC3CC(n4cnnc4)(C1)C[C@@](C)(C3)C2 100684844 KMONTHDUDIDOBV-QPPOZKHWSA-N 231.343 2.984 0 40 BFAB CCCC(=O)N[C@H](C)[C@H]1C[C@@H]2CC[C@@H]1C2 102180535 ZXTNXYYKULGWJB-DDHJBXDOSA-N 209.333 2.727 0 40 BFAB CC(C)(C)SCC(=O)N1C[C@@H]2[C@@H](C1)C2(C)C 102360816 RCPQPOJTVXHDLW-NXEZZACHSA-N 241.400 2.633 0 40 BFAB c1cc2c(s1)CCN(C[C@H]1CCCCO1)C2 123470082 VZVXGLPJSXALMJ-GFCCVEGCSA-N 237.368 2.675 0 40 BFAB COCOc1ccc(Cl)c(Cl)c1 196563353 XYJJEDMQNSSDDM-UHFFFAOYSA-N 207.056 2.976 0 40 BFAB CC(C)c1ccc([C@@H]2CN(C)C[C@@H]2C(=O)O)cc1 217664749 FQHJTCOFTPBBDN-KBPBESRZSA-N 247.338 2.540 0 40 BFAB Cc1cc(F)ccc1N[C@H]1CCCC[C@H]1N 218865269 KHKNZEWZURDMPX-YPMHNXCESA-N 222.307 2.816 0 40 BFAB CCCNCCO[C@H]1CC[C@@]12CCC21CC1 242463788 DLJOSLRSVABURD-GXTWGEPZSA-N 223.360 2.725 0 40 BFAB CCn1ncc(NCc2cccc(O)c2)c1C 256050015 CHZXAQZZNCHYFC-UHFFFAOYSA-N 231.299 2.529 0 40 BFAB Cc1nccc([C@@H]2CCN(CC(C)(C)C)C2)n1 257245240 IOQVEQJQHVJMKV-GFCCVEGCSA-N 233.359 2.620 0 40 BFAB NC[C@H](c1ccc(F)cc1Cl)C(F)F 1536095875 OTGIPPQEKDKYEH-SSDOTTSWSA-N 223.625 2.787 0 40 BFAB CCC[C@H](C)C(=O)NCc1ccccc1OC 30559 NFOYMJJWGSYYJL-NSHDSACASA-N 235.327 2.748 0 40 BFAB biogenic CC[C@H]1C(=O)O[C@@H](c2ccccc2)C(C)(C)C1=O 128460 BQISGOZGIFFRIQ-YPMHNXCESA-N 246.306 2.906 0 40 BFAB CC[C@@]1(C(C)C)NC(=S)N(c2ccccc2)N1 1249013 QDQJJZJCJSEBMJ-CYBMUJFWSA-N 249.383 2.648 0 40 BFAB CC(C)OC(=O)Nc1ccc(Cl)cn1 1689075 OFPWKJNABBWYQL-UHFFFAOYSA-N 214.652 2.692 0 40 BFAB CCOC(=O)Nc1ccc2oc(C)cc(=O)c2c1 1714707 CRWLDHBTOZOAFC-UHFFFAOYSA-N 247.250 2.670 0 40 BFAB CC1=C(C)CC(CO)(CO)[C@@H](c2ccccc2)C1 1722959 YYAFEIOZTBILRG-OAHLLOKOSA-N 246.350 2.871 0 40 BFAB Cc1ccccc1O[C@H](C)C(=O)NCCC(C)C 2069584 YDWUFIRGFORKAL-CYBMUJFWSA-N 249.354 2.925 0 40 BFAB CSc1nc2ccc(C)cc2cc1C(=O)O 3625244 XSBBIQUAQQAXNB-UHFFFAOYSA-N 233.292 2.963 0 40 BFAB Brc1snnc1-c1ccccc1 4090562 YLSSGJWFVIEENZ-UHFFFAOYSA-N 241.113 2.968 0 40 BFAB Cc1ccc(C)n1Cc1cccc(C(=O)O)c1 4983384 UANBDJDZJQTPIW-UHFFFAOYSA-N 229.279 2.851 0 40 BFAB C(=C\CN1CCCCC1)\CN1CCCCC1 5823736 GGMZNKPVYRGGPT-FPLPWBNLSA-N 222.376 2.514 0 40 BFAB C[C@H](NC(=O)c1ccc(F)cc1)c1ccncc1 6715491 ULLOZPDGSRFNLU-JTQLQIEISA-N 244.269 2.712 0 40 BFAB CNCc1ccc(-c2cccs2)nc1 12370506 LFZDJRPWILOVEO-UHFFFAOYSA-N 204.298 2.530 0 40 BFAB in-vitro CCOc1ccccc1NC(=S)NC(C)C 13792240 RDUPSWJFIJJNOW-UHFFFAOYSA-N 238.356 2.780 0 40 BFAB COc1ccc(Cl)c(Cl)c1C(=O)O 17043795 XVVIJYRWAXXCGN-UHFFFAOYSA-N 221.039 2.700 0 40 BFAB COc1ccc(OCc2cccc(N)c2)cc1 19263308 OECNSKNJGUPSTD-UHFFFAOYSA-N 229.279 2.856 0 40 BFAB C[C@H]1CC(=O)c2c(-c3ccccc3)n[nH]c2C1 20153924 UKKNYXXAZJOGIB-SECBINFHSA-N 226.279 2.842 0 40 BFAB Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1N 21961249 XNKOSPCLXTUOGF-LLVKDONJSA-N 232.327 2.592 0 40 BFAB Cc1cc2nc(NC(N)=S)sc2cc1C 22124883 GQLGDDXRQKYAKQ-UHFFFAOYSA-N 237.353 2.569 0 40 BFAB O=C(NC1CCCCC1)c1cccc2cn[nH]c12 30822217 ABFZNPUTOYPMRA-UHFFFAOYSA-N 243.310 2.625 0 40 BFAB O=C(NCC1CC1)[C@@H]1CCCc2ccccc21 32760385 BVGGZLIIGHYEOM-CQSZACIVSA-N 229.323 2.633 0 40 BFAB CC(=O)Nc1ccc(Cl)c2ncccc12 32909739 PQCINXDRCVRUDF-UHFFFAOYSA-N 220.659 2.847 0 40 BFAB OCc1cncc(-c2cccc(Cl)c2)c1 35630036 SGGLMJWTKVXRMW-UHFFFAOYSA-N 219.671 2.894 0 40 BFAB CC[C@@H](N)c1ccc(OCC(F)F)cc1 37755426 LNDUSMFWGGYTHX-SNVBAGLBSA-N 215.243 2.740 0 40 BFAB CCOC(=O)[C@@H]1C[C@@H](c2ccccc2)CCC1=O 38665664 JZNYKTFYDHOKCD-QWHCGFSZSA-N 246.306 2.703 0 40 BFAB CC(=O)Cn1c(C)cc(=O)c2cccc(Cl)c21 40164133 WOMWMANBTQMCNT-UHFFFAOYSA-N 249.697 2.552 0 40 BFAB Cc1ccc([C@@H](O)c2ccco2)cc1C 40241883 QKGAXNWWIYAYNE-CYBMUJFWSA-N 202.253 2.978 0 40 BFAB Cc1cccc(C)c1C(=O)C[C@@H](C)CC(=O)O 43214300 JXNVEMDRLFYSHU-SECBINFHSA-N 234.295 2.987 0 40 BFAB COc1ccccc1C(=O)c1cc(C)ccn1 45028588 GITULVXNIFADAX-UHFFFAOYSA-N 227.263 2.630 0 40 BFAB CCn1cc(C(=O)NC2CC2)c2ccccc21 45569880 YOOFWJSKDASKRL-UHFFFAOYSA-N 228.295 2.553 0 40 BFAB OCc1ccc(F)c(-c2ccccc2)c1 47207736 PGYWIENUUPKHFO-UHFFFAOYSA-N 202.228 2.985 0 40 BFAB CC[C@@H](C)[C@H](C)NC(=O)c1cccc(OC)c1 48309521 VIGYEJISJWFCLU-MNOVXSKESA-N 235.327 2.860 0 40 BFAB Clc1cc(OC2CCCCC2)ncn1 48630948 RZESALIAYGLOID-UHFFFAOYSA-N 212.680 2.842 0 40 BFAB O=c1oc2c(Cl)c(Cl)c(O)cc2s1 62725263 ULZXFQJCNUYTHV-UHFFFAOYSA-N 237.063 2.867 0 40 BFAB COC(=O)C12CC3C[C@@H](C1)C(F)(F)[C@H](C3)C2 72194259 IRSQDTPPCWEWKW-SNWHPCCYSA-N 230.254 2.621 0 40 BFAB Cc1cc(N2CCc3ccccc32)ncc1CO 72223936 KFHGGEPHQIGXQK-UHFFFAOYSA-N 240.306 2.577 0 40 BFAB COc1cccc(OC(=O)c2scnc2C)c1 76810629 LMXPPBNWZLSHKP-UHFFFAOYSA-N 249.291 2.679 0 40 BFAB Cn1c(Cl)nc2ccc(Br)cc21 80441587 CJPTUTCWKUFTHH-UHFFFAOYSA-N 245.507 2.989 0 40 BFAB in-vitro Cc1occc1C(=O)N1C[C@@H]2CCCC[C@H]2C1 89540590 MLXYPZDMXDEZDR-RYUDHWBXSA-N 233.311 2.850 0 40 BFAB CCc1cc(Br)ccc1CO 90413497 JCUFCMGXQKHDLU-UHFFFAOYSA-N 215.090 2.504 0 40 BFAB in-vitro Cc1ccc(OC(F)(F)F)cc1C(=O)O 91252059 IBHIJPBIQCIAES-UHFFFAOYSA-N 220.146 2.592 0 40 BFAB COCC(C)(C)N[C@@H](C)c1ccccc1OC 95991175 CHBVXMUJEKUHJM-NSHDSACASA-N 237.343 2.771 0 40 BFAB C[C@H]1C[C@H](OC(=O)c2cocn2)CC[C@H]1C 97163003 IIOSMUAHNLIVFT-KXUCPTDWSA-N 223.272 2.656 0 40 BFAB CC[C@H]1C(=O)Nc2ccc(Br)cc21 100003715 VCFJZJWPWMXDAH-SSDOTTSWSA-N 240.100 2.895 0 40 BFAB C1=C[C@H]2CC[C@@H](C1)N2CCN1[C@H]2C=CC[C@H]1CC2 100564389 FCGKQXQBLOTDIG-YHUYYLMFSA-N 244.382 2.572 0 40 BFAB CC[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2C 100824644 JQQICFVIEZVXBF-VNQPRFMTSA-N 245.366 2.936 0 40 BFAB FC(F)(F)CN1CCc2sccc2C1 126662879 ANLBJLHXEBQOBN-UHFFFAOYSA-N 221.247 2.669 0 40 BFAB CCCOC(=O)c1ccc(NC(C)C)c(N)c1 225406080 QXTPFZGYYVXJTL-UHFFFAOYSA-N 236.315 2.656 0 40 BFAB Cc1cccnc1-c1noc(C(C)(C)F)n1 273669596 GUQJLHCQYLWOTH-UHFFFAOYSA-N 221.235 2.645 0 40 BFAB CC[C@H](C)C(=O)c1ccccc1N(C)C 382705528 SGTVAMCQHNMOQD-JTQLQIEISA-N 205.301 2.981 0 40 BFAB CC(C)[C@H]1C(F)(F)C12C[C@@H]1CC[C@H](C2)N1 719064086 ZKXABKSFUDDIAE-GZBOUJLJSA-N 215.287 2.808 0 40 BFAB O=c1oc(Cc2ccccc2)nc2ccccc12 518414 DDRPLKODWUPIEW-UHFFFAOYSA-N 237.258 2.779 0 40 BFAB biogenic CC[C@@H](C)NC(=O)CSc1ccccc1 577914 USBSCAICWXGOKC-SNVBAGLBSA-N 223.341 2.693 0 40 BFAB CC(C)(C)c1cc(C(C)(C)C)c(=O)oc(=O)c1 1575089 JHQGKBQXKMLUFQ-UHFFFAOYSA-N 236.311 2.595 0 40 BFAB CC(=O)[C@@H](c1ccccc1)c1ccccn1 1675583 IQSRMRKJVJYMMG-AWEZNQCLSA-N 211.264 2.803 0 40 BFAB CC1(C)[C@H]2CC[C@@H](O)[C@@]3(C)CC[C@](C)(O)[C@H]3[C@@H]21 4104719 NRGJKTHILQTODV-XGTBMDPHSA-N 238.371 2.581 0 40 BFAB biogenic,in-vitro COc1ccccc1CNC(=O)[C@H]1CC=CCC1 7306059 QRTNFUNHSMHCHY-LBPRGKRZSA-N 245.322 2.668 0 40 BFAB Cc1cccc2nc(-c3cc(N)cc(N)c3)oc12 8703353 AXDLAGXNVYVIDT-UHFFFAOYSA-N 239.278 2.968 0 40 BFAB C[C@@H]1CC[C@@H](C)N1c1cccc(C(=O)O)c1 8703803 XRUBTHYGOWUUDN-NXEZZACHSA-N 219.284 2.762 0 40 BFAB Cc1cccc(NC(=O)[C@@H]2CC=CCC2)n1 12536828 XHPOORJQANBYMO-LLVKDONJSA-N 216.284 2.685 0 40 BFAB Cc1cc2nc([C@@H]3CCCNC3)[nH]c2cc1C 13998167 AYHHVJWESHJEPI-LLVKDONJSA-N 229.327 2.647 0 40 BFAB Cc1cc(O[C@H]2CCNC2)cc(C)c1Cl 14632222 QQYBCDKBKZQOGN-JTQLQIEISA-N 225.719 2.698 0 40 BFAB CCOc1cc(CNCC(C)C)ccc1O 19882931 JTMXMBKLEGVJSY-UHFFFAOYSA-N 223.316 2.537 0 40 BFAB Nc1cc(-c2cc3ccccc3o2)no1 20078712 AVKIPYCQJVJHJX-UHFFFAOYSA-N 200.197 2.670 0 40 BFAB c1ccc2c(c1)CCN(CC[C@H]1CCCCN1)C2 20180444 ICRNZAYOYYOZSQ-MRXNPFEDSA-N 244.382 2.577 0 40 BFAB O[C@@H](CNCc1ccccc1)c1ccc(F)cc1 26897839 KKOSEYACVNUUPB-HNNXBMFYSA-N 245.297 2.649 0 40 BFAB O=C(c1ccccc1C(F)(F)F)N1CCCC1 33726676 NODNIAXCHZGLSF-UHFFFAOYSA-N 243.228 2.941 0 40 BFAB CCCc1ccc([C@H](O)Cn2ccnc2)cc1 41256304 SBMMRMXIJVRSQU-CQSZACIVSA-N 230.311 2.569 0 40 BFAB Brc1cc(-c2ccccc2)ncn1 44119020 ULTVNONDDCSYPJ-UHFFFAOYSA-N 235.084 2.906 0 40 BFAB Cc1cc(C(=O)N2CCC[C@@H]2C2CCCC2)no1 56033345 PBQUKDPXELXDJU-CYBMUJFWSA-N 248.326 2.778 0 40 BFAB C[C@H](O)[C@@H]1C[C@@H]1c1ccc(Br)cc1 62713981 WWMCQKXSZNIITD-BKDNQFJXSA-N 241.128 2.933 0 40 BFAB O[C@H](c1ccc(F)c(Cl)c1)C1CC1 70735948 ZYNWOFYKLLURGL-JTQLQIEISA-N 200.640 2.923 0 40 BFAB CCN1CCCC[C@H]1c1ccc(NC)nc1 72212493 UMLLPUJWWCNBES-LBPRGKRZSA-N 219.332 2.670 0 40 BFAB Cc1cc(CO)cnc1Oc1ccccc1 72222111 BCONTSIFQFAAHO-UHFFFAOYSA-N 215.252 2.675 0 40 BFAB Cc1ccnc(NC(=O)CCC(F)(F)F)c1 79588670 GPWQOEUQXOFENT-UHFFFAOYSA-N 232.205 2.671 0 40 BFAB COc1ccc([C@@](C)(O)C2CC2)c(C)c1 83696319 BNUWJSFFUVJDJM-ZDUSSCGKSA-N 206.285 2.621 0 40 BFAB FC(F)(F)c1ccc([C@@H]2CCCCN2)cn1 95718859 CLYLIVWZDKBKNO-VIFPVBQESA-N 230.233 2.915 0 40 BFAB O=C1CCc2c1cc(F)cc2C(F)(F)F 95917672 LTBVCZDWLJLTIA-UHFFFAOYSA-N 218.149 2.973 0 40 BFAB CCCN(Cc1ccco1)C[C@@H](N)CC(C)C 96523758 PXKDHLKIFDFYLN-ZDUSSCGKSA-N 238.375 2.865 0 40 BFAB C[C@H]1CC[C@H]1COc1ccccc1C=O 96526395 XTLPYPWTMDXPOR-JQWIXIFHSA-N 204.269 2.924 0 40 BFAB Cc1nc(C)c(CNc2ncccc2F)s1 97104678 ALFKVWDBTIWMMO-UHFFFAOYSA-N 237.303 2.906 0 40 BFAB C[C@@H](C(=O)N1CCCC1)c1ccc(F)cc1F 104153521 IGAXDKKQYKQIDJ-SECBINFHSA-N 239.265 2.691 0 40 BFAB CC(C)Cn1ccc(CNCc2cccs2)n1 256052299 MTYWEJFERPDWGK-UHFFFAOYSA-N 249.383 2.890 0 40 BFAB CC(C)C[C@H](CF)NC(=O)OC(C)(C)C 575447636 WWGUKQNOFOYFEG-SECBINFHSA-N 219.300 2.895 0 40 BFAB O=C(Nc1ccccc1)N1C2CCC1CC2 637431198 XOTDQNKAEVKZGL-UHFFFAOYSA-N 216.284 2.845 0 40 BFAB C(=C1C[C@@H]2CC[C@H](C1)N2c1cnccn1)C1CC1 1775977603 VOYCRLFOLJSXCP-OKILXGFUSA-N 241.338 2.944 0 40 BFAB CC(C)(C)NC(=S)NC1CCCCC1 99117 GUABXNOIRYHFOC-UHFFFAOYSA-N 214.378 2.582 0 40 BFAB Cc1cccc(NC(=O)c2snnc2C)c1C 385478 MWUGUZGNGBLKQV-UHFFFAOYSA-N 247.323 2.716 0 40 BFAB COC(=O)C1=C(C)O[C@@H](c2cccnc2)C(C)=C1 491011 GWYGBBBOUWJXSQ-CYBMUJFWSA-N 245.278 2.546 0 40 BFAB biogenic COc1ccc(NC(=O)c2ccccc2)c(N)c1 874336 STOFXAZIFDJEPW-UHFFFAOYSA-N 242.278 2.530 0 40 BFAB Cc1nn(Cc2ccccc2)c(Cl)c1C=O 3319643 SCAUOTJMDXPTOZ-UHFFFAOYSA-N 234.686 2.706 0 40 BFAB Cc1ccc(/C=C/C(=O)NCc2cccs2)o1 3557831 QCQDJZKFYBCOKK-VOTSOKGWSA-N 247.319 2.979 0 40 BFAB CSc1cccc(-n2cccc2)c1CN 4054862 WPZKGWJJXXLEIB-UHFFFAOYSA-N 218.325 2.658 0 40 BFAB CCC(=O)O[C@H]1C[C@@H]2C[C@H]1[C@H]1CC=C[C@H]21 4083570 BLBJUGKATXCWET-OSUNSFLBSA-N 206.285 2.540 0 40 BFAB c1ccn(C2=N[C@@H]3CCCC[C@H]3S2)c1 5778528 MDJDOMNMMJBWML-NXEZZACHSA-N 206.314 2.750 0 40 BFAB CC(=O)Sc1nccc2ccccc12 6707814 SRMGSUYHHZSUNR-UHFFFAOYSA-N 203.266 2.873 0 40 BFAB Cc1cc(C(=O)Nc2cccc(Cl)c2C)[nH]n1 6942699 OMAARISPQOUJGH-UHFFFAOYSA-N 249.701 2.932 0 40 BFAB CCc1cc(C=O)ccc1N1CCCC1 8702887 MQUJHVSCFZJCFR-UHFFFAOYSA-N 203.285 2.662 0 40 BFAB CCCCC(=O)Nc1ccc(C)c(N)c1 8703518 CYUTZLIBMWTDMS-UHFFFAOYSA-N 206.289 2.706 0 40 BFAB NNc1nccc(-c2ccc3ccccc3c2)n1 12395093 BLODZMUIAVERDN-UHFFFAOYSA-N 236.278 2.582 0 40 BFAB Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCCO1 13019750 FWGQNVBLDOZHLS-NSHDSACASA-N 239.702 2.766 0 40 BFAB CC[C@H](C)NC(=O)CCCOc1ccccc1 14399899 ASPQNHKOEKHVLH-LBPRGKRZSA-N 235.327 2.760 0 40 BFAB COCCOc1ccc(CNC2CCCC2)cc1 19738129 DHEJHMMSSDEQBX-UHFFFAOYSA-N 249.354 2.744 0 40 BFAB CCCCN(CCCC)CC[C@@H](C)N 20485094 KAYRTSALKIVJJN-GFCCVEGCSA-N 200.370 2.626 0 40 BFAB CC(C)(C)c1ccc(CNCCCC(=O)O)cc1 21952870 NBWPCHVAYWYRBP-UHFFFAOYSA-N 249.354 2.939 0 40 BFAB in-vitro CCN(C(=O)c1ccc2ccccc2n1)C1CC1 32760905 FVWPENZOELKSNJ-UHFFFAOYSA-N 240.306 2.859 0 40 BFAB O=C(C[C@@H]1CCCO1)c1ccc(F)cc1 37464134 IUXVHIIWQCKBKI-NSHDSACASA-N 208.232 2.578 0 40 BFAB in-vitro O=C(NCCSC1CCCC1)C1CCCC1 40511058 RJRINKGAMYWDCR-UHFFFAOYSA-N 241.400 2.969 0 40 BFAB CCOC(=O)Cc1cc(F)ccc1Cl 43503459 OSZJBPIFQMGZOM-UHFFFAOYSA-N 216.639 2.585 0 40 BFAB O=C(O)/C=C/c1c(F)cc(Cl)cc1F 44214500 HWLWZSWHISZBGB-OWOJBTEDSA-N 218.586 2.716 0 40 BFAB Cc1ccccc1OCC(=O)N[C@H](C)C(C)C 49535313 VJRRHRWPTGFNER-GFCCVEGCSA-N 235.327 2.535 0 40 BFAB O=S(=O)(O)c1cccc2cc(Cl)ccc12 71256826 QKHYZIZXSFSPKY-UHFFFAOYSA-N 242.683 2.740 0 40 BFAB CCCNc1ccc([C@@H](O)CC)c(C)n1 72224253 DEDAPRSRIOATLL-NSHDSACASA-N 208.305 2.655 0 40 BFAB CC[C@@H]1CCCCN1Cc1cccnc1 72260273 NFKYWAXODRBKCE-CYBMUJFWSA-N 204.317 2.846 0 40 BFAB Cc1cc(C)cc(NC(=O)CN2CCC[C@@H]2C)c1 72293057 URERALBDSJNMNG-ZDUSSCGKSA-N 246.354 2.726 0 40 BFAB CC(C)(C)CN1CCC(c2ccncn2)CC1 72361182 DJNKUXJQVIWOIB-UHFFFAOYSA-N 233.359 2.702 0 40 BFAB CCCOc1ccc(C(=O)c2ncco2)cc1 85651157 PQFJQNFEAWRNBV-UHFFFAOYSA-N 231.251 2.694 0 40 BFAB Cc1ccc(F)cc1C(=O)C[C@@H](C)CC(=O)O 85652154 CNZHUZIDDMGKNP-MRVPVSSYSA-N 238.258 2.818 0 40 BFAB CC[C@@H](N)COCc1cccc(OC(F)F)c1 89263503 VEXWQRUHUZQBBS-SNVBAGLBSA-N 245.269 2.542 0 40 BFAB CCN1CC[C@@H](NCCc2ccccc2)[C@H](C)C1 95967110 BNVNLKYMMXQHAV-GDBMZVCRSA-N 246.398 2.549 0 40 BFAB CCc1cccnc1NCc1cccnc1 95973203 KEOGJOHWHIHDDZ-UHFFFAOYSA-N 213.284 2.651 0 40 BFAB C/C=C\C(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C 98090012 OWXHDOIFLLGSQV-RLXTYRKTSA-N 245.278 2.671 0 40 BFAB O=C(CC(=O)c1ccc(O)cc1)c1ccccc1 104242579 UKQHHKBUTVQHSN-UHFFFAOYSA-N 240.258 2.848 0 40 BFAB N=C(N)c1ccc(OC(F)(F)F)c(Cl)c1 199557985 LDIDKVTWXVRBNK-UHFFFAOYSA-N 238.596 2.523 0 40 BFAB CCOc1ccc(N[C@H]2CCCC[C@H]2N)cc1 218861061 BYHYPGPSPNFWER-KGLIPLIRSA-N 234.343 2.767 0 40 BFAB Clc1onc2c1C[C@@H]1[C@H](C2)C1(Cl)Cl 219772340 HDKYAYCRFQZQFO-UHNVWZDZSA-N 238.501 2.847 0 40 BFAB COC(=O)c1c(F)ccc(Br)c1C 260051795 KTOIOMXPPXSFNN-UHFFFAOYSA-N 247.063 2.683 0 40 BFAB FC(F)c1cnc2[nH]cnc(Cl)c1-2 575629329 QNOCLJTZVNFHLQ-UHFFFAOYSA-N 203.579 2.501 0 40 BFAB O=[S@@]12=Nc3c(ccnc3Cl)[C@H]1CCC2 1503350642 XLUXPCPMSYMZTL-NXSYQRQQSA-N 228.704 2.683 0 40 BFAB CC(=O)Oc1cc(Cl)cc(Cl)c1 1730714 DPHLEWZTIXLUGZ-UHFFFAOYSA-N 205.040 2.919 0 40 BFAB biogenic COc1ccc(-c2sc(C)nc2O)cc1 1866025 NQFFHKIRYLRMTF-UHFFFAOYSA-N 221.281 2.833 0 40 BFAB CSC(=S)Nc1ccc(F)cc1 4107736 AEPBWYCPRFDFAC-UHFFFAOYSA-N 201.291 2.886 0 40 BFAB CC(C)c1ccc2c(c1)C(=O)NC(C)(C)C2 4127408 AADBEZALNPVNKC-UHFFFAOYSA-N 217.312 2.875 0 40 BFAB CCC[C@H](C)NC(=O)c1ccc(OC)cc1 5794012 SZBPHCYLXXRSEU-JTQLQIEISA-N 221.300 2.614 0 40 BFAB CCCCC[C@H](C)N(C)C(=O)CNCC(C)C 5973344 NBUYKDYPCNNXOS-ZDUSSCGKSA-N 242.407 2.659 0 40 BFAB CCCC(=O)Nc1onc2c1C[C@@H](C)CC2 11915731 WQKDBNVOZOZROE-QMMMGPOBSA-N 222.288 2.538 0 40 BFAB CC(C)NC(=O)N1CCC(c2ccccc2)CC1 12984179 PBGURYQPBKCFSV-UHFFFAOYSA-N 246.354 2.984 0 40 BFAB CN(C)c1ccc2cc(C(=O)O)ccc2c1 13547931 OAPBBTYSMWBVPM-UHFFFAOYSA-N 215.252 2.604 0 40 BFAB in-vitro Cc1ccc2[nH]nc(Br)c2c1 14983521 WCMSTEPRVSCYNM-UHFFFAOYSA-N 211.062 2.634 0 40 BFAB in-vitro C[C@@H](NC(=O)C1CC1)c1ccc(Cl)cc1 19935131 HEOGQOASXORPCQ-MRVPVSSYSA-N 223.703 2.927 0 40 BFAB Nc1ccc(OC2Cc3ccccc3C2)c(F)c1 20352230 ABHRSIAAWGPBQS-UHFFFAOYSA-N 243.281 2.954 0 40 BFAB O=C(O)C[C@H](c1ccccc1)N1CCCCC1 21948238 CIEWZKIVDCBVMH-CYBMUJFWSA-N 233.311 2.688 0 40 BFAB C[C@H](NC(=O)C[C@H]1C=CCC1)c1ccncc1 27406073 IHNZUSOBQPPTOA-RYUDHWBXSA-N 230.311 2.615 0 40 BFAB Cc1nc2ccc(NC(=O)[C@@H]3C[C@@H]3C)cc2o1 32752872 ZKSMESAMZDKAQV-OIBJUYFYSA-N 230.267 2.731 0 40 BFAB O=C(NCCc1ccc(F)cc1)[C@H]1CC=CCC1 36395753 YPENJHIBSMFXCP-ZDUSSCGKSA-N 247.313 2.841 0 40 BFAB N[C@@H]1CCCc2cc(OC(F)F)ccc21 39947655 FGDTVOVCPPLKHK-SNVBAGLBSA-N 213.227 2.624 0 40 BFAB in-vitro CC(=O)N(Cc1cccnc1)c1ccc(F)cc1 41368209 OPVKMMAMWJBNOI-UHFFFAOYSA-N 244.269 2.774 0 40 BFAB CC(C)CO[C@@H](C)C(=O)Nc1ccccc1F 42466212 VFYCHXSZPFAXTD-JTQLQIEISA-N 239.290 2.825 0 40 BFAB CC(=O)c1ccc(OCC[C@H]2CCCCN2)cc1 42771467 ZXGAHEKOJYIRSN-CQSZACIVSA-N 247.338 2.800 0 40 BFAB Cc1cccnc1C(=O)c1cccc(F)c1F 45028688 WBMHLWRCDRIMFE-UHFFFAOYSA-N 233.217 2.899 0 40 BFAB Cc1ccc(CN2CCNc3cccnc32)cc1 45795977 KUUMNUGMHUBKRG-UHFFFAOYSA-N 239.322 2.822 0 40 BFAB CCN(CCO)Cc1ccc(Cl)c(Cl)c1 49754185 PPPGFMBEWNWVSI-UHFFFAOYSA-N 248.153 2.808 0 40 BFAB C[C@@H](NC(=O)C1CC1)c1ccc2c(c1)CCC2 53387427 NILFEDXQOXZYBS-SNVBAGLBSA-N 229.323 2.763 0 40 BFAB Cc1ccc(-c2nc([C@H]3CCCNC3)no2)cc1 62257180 ODFFNJDWKBXKDW-LBPRGKRZSA-N 243.310 2.512 0 40 BFAB OC[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 62720273 NMCQHEXVLGPBQM-SCZZXKLOSA-N 216.202 2.801 0 40 BFAB CC(C)(C)SCc1nc2ccccc2c(=O)[nH]1 69879593 KMOUJPNDGYZBAA-UHFFFAOYSA-N 248.351 2.955 0 40 BFAB CCOc1ccc(CO)cc1C(F)(F)F 71867336 SRVUDCQCZVEMAK-UHFFFAOYSA-N 220.190 2.596 0 40 BFAB CCOC(=O)C[C@@H](NC)c1cccc(Cl)c1 72210271 WPUTVECZPUTFEM-LLVKDONJSA-N 241.718 2.554 0 40 BFAB CCOc1ccc2[nH]c(C)c(CNC)c2c1 82597253 WMMDNIYLKOETFQ-UHFFFAOYSA-N 218.300 2.594 0 40 BFAB CO[C@H]1CCCC[C@H]1CCNCC1CCC1 85395942 ZHGKGBHCJDLRPG-KBPBESRZSA-N 225.376 2.971 0 40 BFAB O=C(O)c1cnccc1Nc1ccccc1 88109608 YRZXKFNAQGSFCB-UHFFFAOYSA-N 214.224 2.523 0 40 BFAB CCCc1nnc(N2C[C@H]3CCC[C@H]3C2)s1 95418477 IVBVSDGWEYAZEH-AOOOYVTPSA-N 237.372 2.727 0 40 BFAB Cc1ccc(Cl)cc1C(=O)Nc1cnccn1 97146054 NWUYEZHHTCHZPG-UHFFFAOYSA-N 247.685 2.691 0 40 BFAB CS[C@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C 98010572 DIEXCLHTYSOWDB-WYUUTHIRSA-N 241.400 2.918 0 40 BFAB N=C1CCCN1CC(=O)c1ccc(Cl)cc1 101744889 VVUHWKVNSZNFBI-UHFFFAOYSA-N 236.702 2.596 0 40 BFAB Cc1cc(-n2cnnc2)ccc1N1CCCCC1 226276041 ZPCAMIMCUOUZBJ-UHFFFAOYSA-N 242.326 2.566 0 40 BFAB Cc1cnn(C)c1NCc1cc(F)ccc1F 256052065 LTTZTMAXDIRQQJ-UHFFFAOYSA-N 237.253 2.619 0 40 BFAB CCCn1cc(CNCc2cccs2)c(C)n1 256054446 WHDZTTFODHXOIE-UHFFFAOYSA-N 249.383 2.953 0 40 BFAB FC1(F)CCC[C@H](N[C@@H]2CCSC2)C1 307194475 PQXNTDQVAHHIPZ-DTWKUNHWSA-N 221.316 2.659 0 40 BFAB CC(C)CC[C@@H]1CCCN1C[C@H]1CCOC1 390833231 DXEUIIVLIQCQGZ-KGLIPLIRSA-N 225.376 2.924 0 40 BFAB Cc1ccnc(OCc2cccc(C)n2)c1 585655011 QLNPMRDMHFPDKS-UHFFFAOYSA-N 214.268 2.672 0 40 BFAB CCc1cc(CO)c2c(Cl)cccc2n1 685937068 JKOPYJVVAWQCJF-UHFFFAOYSA-N 221.687 2.943 0 40 BFAB COc1cnc2ccc(Cl)cc2c1C(=O)O 685937629 VIKCGAJAOPJLKE-UHFFFAOYSA-N 237.642 2.595 0 40 BFAB Nc1nc(Cl)cc(Oc2ccccc2)n1 206634 WCDHWNAYCBWKKW-UHFFFAOYSA-N 221.647 2.505 0 40 BFAB O=C(Nc1ccccn1)c1ccc2ccccc2n1 230410 ZPRCRZOROVUWAJ-UHFFFAOYSA-N 249.273 2.882 0 40 BFAB Nc1csc(COc2ccc(Cl)cc2)n1 1472519 BOKKXXLDHHKVST-UHFFFAOYSA-N 240.715 2.958 0 40 BFAB CN(C(=O)/C=C/c1ccco1)c1ccccc1 1697045 ZJVHYXGLZFZWMM-MDZDMXLPSA-N 227.263 2.956 0 40 BFAB CC(=O)n1nccc1[C@H](C)Oc1ccccc1 3016397 WYZYDJRUMCONEN-JTQLQIEISA-N 230.267 2.683 0 40 BFAB CC(C)NC(=O)[C@@H]1CCCc2ccccc21 13022015 SXCAVZFMHYAVRF-CYBMUJFWSA-N 217.312 2.631 0 40 BFAB Clc1ccc(NCc2ccccc2)nn1 15774233 HNJMQBUIQSWTSV-UHFFFAOYSA-N 219.675 2.742 0 40 BFAB in-vitro O=C(O)c1cc(-c2cc3ccccc3o2)on1 22699171 AXRZCYGMDFWOCC-UHFFFAOYSA-N 229.191 2.786 0 40 BFAB CC(=O)Nc1ccc(N2CCCC2)cc1C 32350913 RNVUZKRNVHMKNG-UHFFFAOYSA-N 218.300 2.554 0 40 BFAB CCOC(=O)c1ccc(Cl)cc1C(C)=O 34505505 KLMHPFLFMZHNMI-UHFFFAOYSA-N 226.659 2.719 0 40 BFAB CC(C)Oc1ccc(CN)c(C(F)(F)F)c1 34960795 VCQQCFNUCGTGIP-UHFFFAOYSA-N 233.233 2.951 0 40 BFAB in-vitro c1cc2sccc2c(NC[C@@H]2CCCO2)n1 35687741 PRHOVMHSHJBGHT-VIFPVBQESA-N 234.324 2.887 0 40 BFAB CSCC(=O)c1ccccc1Cl 38064085 LIOYOKPCQQBIEU-UHFFFAOYSA-N 200.690 2.886 0 40 BFAB CCCCn1cnc(-c2ccccc2)cc1=O 38518034 RBHVNOCSWAXUCO-UHFFFAOYSA-N 228.295 2.710 0 40 BFAB COC(=O)CCCCCCCCCCN 39274091 QVGONMHQKGSFOB-UHFFFAOYSA-N 215.337 2.629 0 40 BFAB Cc1ccc([C@H](O)c2ccoc2)c(C)c1 40245972 XPFKMGZVSPSGMH-CYBMUJFWSA-N 202.253 2.978 0 40 BFAB CCOC(=O)c1ccnc(Cl)c1Cl 47202779 YOOGHVYYXXTYTN-UHFFFAOYSA-N 220.055 2.565 0 40 BFAB CCOC(=O)/C=C/c1cc(Cl)ccc1OC 62392057 MGRJQUCUJRLOAS-QPJJXVBHSA-N 240.686 2.925 0 40 BFAB CCS[C@H](C)c1ccc(C(=O)O)o1 62702090 FXOPNVYHWUOGEZ-ZCFIWIBFSA-N 200.259 2.792 0 40 BFAB CC(C)OC(=O)/C=C/c1cccc(F)c1 62715374 LNEDVBLGVVPOLN-VOTSOKGWSA-N 208.232 2.791 0 40 BFAB CNC(=O)c1cc(C)n(Cc2ccccc2)c1C 64551599 RWHOCQPPMSHSHW-UHFFFAOYSA-N 242.322 2.513 0 40 BFAB c1cc([C@@H]2CCN(C3CCCCC3)C2)n[nH]1 72187758 NIRVRHFIHWKFSO-LLVKDONJSA-N 219.332 2.532 0 40 BFAB c1ccc(Cc2nc3ncccc3o2)cc1 73638998 ZBFGFZSICQULFR-UHFFFAOYSA-N 210.236 2.814 0 40 BFAB c1cnc2nc(-c3ccc4c(c3)OCO4)oc2c1 74327540 VACRTBNJGYKKRW-UHFFFAOYSA-N 240.218 2.619 0 40 BFAB O=C1CCOc2ccc(C(F)(F)F)cc21 75882196 JHBAJYJJIHZGDP-UHFFFAOYSA-N 216.158 2.671 0 40 BFAB Nc1nc2cc(C(F)(F)F)ccc2n1C1CC1 75947255 MDSORERYMBPQPY-UHFFFAOYSA-N 241.216 2.972 0 40 BFAB COc1ccc(-c2cc(C)c(C(=O)O)[nH]2)cc1 76030106 CXUVIYXXQAUNNK-UHFFFAOYSA-N 231.251 2.697 0 40 BFAB CCN(CCN)Cc1cc(Cl)ccc1Cl 79420148 MJLSMZGRZSTZNT-UHFFFAOYSA-N 247.169 2.774 0 40 BFAB Cc1cc2ccccn2c1-c1csc(N)n1 85397343 RCAAGMPDLCPNGS-UHFFFAOYSA-N 229.308 2.953 0 40 BFAB CC(=O)N(C[C@H]1CCCO1)C1CCC(C)CC1 89922631 UAUHMRPDCZAPLH-UXUKBGGZSA-N 239.359 2.593 0 40 BFAB CC1=CCC[C@@H](C)[C@@H]1CNCCc1ccnn1C 97098983 GAOILOQZFVCFBT-UKRRQHHQSA-N 247.386 2.545 0 40 BFAB CC(C)[C@@H](Nc1cnn(C)c1)c1ccc(F)cn1 97378982 PLPSIMUXQGNMTF-CYBMUJFWSA-N 248.305 2.763 0 40 BFAB O[C@H]1CC[C@H](NCc2cccc(Cl)c2)CC1 100173849 HFNADFUHMRTDFZ-BETUJISGSA-N 239.746 2.733 0 40 BFAB CC1(C)[C@H]2CC[C@@]1(CS(O)(O)O)C(=O)C2 101035002 AOHRENLQCLCQJO-OIBJUYFYSA-N 234.317 2.605 0 40 BFAB Clc1ccn2c(n1)nc1ccccc12 108377015 RNEJWEYLAVZASN-UHFFFAOYSA-N 203.632 2.536 0 40 BFAB CCc1cc([C@@H]2CNC(=O)C2)ccc1Cl 199779413 FHZZSKQOOATRRY-JTQLQIEISA-N 223.703 2.506 0 40 BFAB CCCn1cnc2cncc(Br)c21 225742404 GYIDYOBRIPVRKK-UHFFFAOYSA-N 240.104 2.604 0 40 BFAB CCC(=O)Nc1c(C)cc(N)cc1Cl 226755746 UVYMDUALWKZLCM-UHFFFAOYSA-N 212.680 2.579 0 40 BFAB C[C@@]12CCN(Cc3ccccc3Cl)C[C@H]1O2 242463917 DQMUCOLXAAYBQX-CHWSQXEVSA-N 237.730 2.703 0 40 BFAB Cc1noc(C)c1CN1CCC(=C2CC2)CC1 575606466 KJWOBEAVDOFEBC-UHFFFAOYSA-N 232.327 2.978 0 40 BFAB COc1cc(-c2cc(C)n(C)n2)ccc1F 864547477 XGZHJXBTBCORAR-UHFFFAOYSA-N 220.247 2.543 0 40 BFAB COC(=O)C1=C(C)O[C@H](c2cccnc2)C(C)=C1 491012 GWYGBBBOUWJXSQ-ZDUSSCGKSA-N 245.278 2.546 0 40 BFAB biogenic CCCCCC(C)(CC(=O)O)CC(=O)O 1666513 OYJMUTGFVWKBID-UHFFFAOYSA-N 216.277 2.522 0 40 BFAB CCOP(=O)(OCC)[C@@H](N)[C@@H](C)CC 1707657 WLXZADYPHWHTPD-DTWKUNHWSA-N 223.253 2.583 0 40 BFAB Nc1ccccc1S[C@H]1CCCC[C@@H]1O 1843177 LLKIGPGOZQEUOL-JQWIXIFHSA-N 223.341 2.664 0 40 BFAB Clc1ncnc2c1sc1ncccc12 2243777 QCUXTBKFKCTJIQ-UHFFFAOYSA-N 221.672 2.893 0 40 BFAB in-vitro CC(C)OC[C@@H](O)CNC(C)(C)CC(C)(C)C 2687833 QOXQTCJPMXZOMI-LBPRGKRZSA-N 245.407 2.577 0 40 BFAB Cc1cc(Cl)ccc1NC(=O)C1CC1 6215301 CNSBBPFBLSPCLM-UHFFFAOYSA-N 209.676 2.997 0 40 BFAB Cc1ccc(-n2nc3c(c2O)CCC3)cc1C 9937222 IUSCXBMONNCOEZ-UHFFFAOYSA-N 228.295 2.683 0 40 BFAB Cc1cc(C)c(C)c(OCCCC(=O)O)c1 11961047 YFZBCHZZTFQGKH-UHFFFAOYSA-N 222.284 2.855 0 40 BFAB Cc1cc(C)cc(C(=O)NCCc2ccco2)c1 17910087 BDRKPWDZKGXPIB-UHFFFAOYSA-N 243.306 2.869 0 40 BFAB Nc1cccnc1Oc1cccc(F)c1 19255979 DBGSVVMZJJADHR-UHFFFAOYSA-N 204.204 2.595 0 40 BFAB NCc1ccccc1CN1CCCCCC1 20284053 ZCAYBUPHLOBUEQ-UHFFFAOYSA-N 218.344 2.521 0 40 BFAB in-vitro Cc1ccc(C(=O)c2cccc(N)c2)cc1 32012507 PRLOILJFLDVYKL-UHFFFAOYSA-N 211.264 2.808 0 40 BFAB O=C(NCCc1ccsc1)[C@H]1CC=CCC1 36392610 UNVMOIRSQRBTFP-LBPRGKRZSA-N 235.352 2.763 0 40 BFAB Cc1cc(F)ccc1-c1ccc(CN)o1 36929579 IVQBOXRKZYJLKN-UHFFFAOYSA-N 205.232 2.853 0 40 BFAB CCOc1ccc(Cl)cc1[C@H](C)O 41210509 CFIZOSDMOCKASV-ZETCQYMHSA-N 200.665 2.792 0 40 BFAB COc1cc(C(=O)C(F)(F)F)cc(F)c1F 43505042 DVLOVIRXQSYIBP-UHFFFAOYSA-N 240.127 2.718 0 40 BFAB C[C@@H]1CCCC[C@H]1NC(=O)CC[C@@H]1CCCO1 46125898 BBQWZIJITHOIIS-FRRDWIJNSA-N 239.359 2.641 0 40 BFAB CCn1c(C(C)=O)nc2cc(Cl)ccc21 53944101 BOEIUTFNOVDHNI-UHFFFAOYSA-N 222.675 2.912 0 40 BFAB CCOc1ccc(-c2cc(C(=O)O)no2)cc1C 71561519 MYCFFCBKENCDIK-UHFFFAOYSA-N 247.250 2.747 0 40 BFAB CCN1CCC[C@@H]1c1ccc(SC)nc1 72216872 RSDYWSONBOCNPU-LLVKDONJSA-N 222.357 2.960 0 40 BFAB CC[C@H](N)c1cnc(N2CCCCC2)c(C)c1 72222465 DDNIHOZEMILIOP-ZDUSSCGKSA-N 233.359 2.790 0 40 BFAB CC1(CNC(=O)Cc2cccc(F)c2)CCC1 75105501 OLSDXAWUJDWZGN-UHFFFAOYSA-N 235.302 2.675 0 40 BFAB CCOc1cccc(NC(=O)c2ccoc2C)n1 76093407 DLKSQPQRTFCQQZ-UHFFFAOYSA-N 246.266 2.634 0 40 BFAB O=C(O)/C=C/c1ccc(F)c(Cl)c1F 83324648 NICBYNUYGVTJLB-DUXPYHPUSA-N 218.586 2.716 0 40 BFAB C[C@@H](O)C1(c2ccc(Cl)s2)CC1 84366087 UIPZMLPTEPCJRG-ZCFIWIBFSA-N 202.706 2.814 0 40 BFAB CCN(Cc1nnc(C2CC2)o1)C1CCCC1 84777612 TWHVRGOSKGBZCM-UHFFFAOYSA-N 235.331 2.712 0 40 BFAB Cc1ccc(-n2nc3c(c2N)CCC3)cc1Cl 87848634 BUQZIUDHZYZGMP-UHFFFAOYSA-N 247.729 2.905 0 40 BFAB C[C@@H]1CCCCN1Cc1ccccc1C=O 95738622 BJRKTLFXFDUBEW-GFCCVEGCSA-N 217.312 2.874 0 40 BFAB COC(=O)c1ccc(OCC2CC2)cc1Cl 96304681 VZYFZSDHRISNDV-UHFFFAOYSA-N 240.686 2.915 0 40 BFAB CC(C)CN(C(=O)CCCN)C1CCCCC1 96481219 RTTBPKVYGMEOMY-UHFFFAOYSA-N 240.391 2.543 0 40 BFAB O=C(CC1CCC1)Nc1ccc(O)cc1F 97083421 LCVHEDALDOSBFY-UHFFFAOYSA-N 223.247 2.660 0 40 BFAB Cc1cccc(N[C@@H](C)C[C@@H](O)c2ccco2)n1 97096517 FUMYGTDTCJEEJB-NWDGAFQWSA-N 246.310 2.907 0 40 BFAB Cc1ccnc(N[C@H](C)c2nccnc2C)c1 188310399 IGRRYTDTMDSGJH-LLVKDONJSA-N 228.299 2.662 0 40 BFAB CNCCCNc1cc(C)nc2c(F)cccc12 222686803 WIWLRRDKWQOCHH-UHFFFAOYSA-N 247.317 2.704 0 40 BFAB CN1CCCC[C@@H]1CCSC[C@H]1CCCO1 252502376 UPIPIUJGWUTVCW-CHWSQXEVSA-N 243.416 2.773 0 40 BFAB Cc1cccc2c(C(=O)O)c(OC3CC3)cnc12 685936850 CKVBFIKXBPZBBO-UHFFFAOYSA-N 243.262 2.783 0 40 BFAB c1ccc2c(N3CCCCC3)ncnc2c1 118546 VIMMTIWARBDYNN-UHFFFAOYSA-N 213.284 2.620 0 40 BFAB COc1ccc([C@H](C)NCc2ccncc2)cc1 385595 QMMAJWNYCZMPEP-LBPRGKRZSA-N 242.322 2.941 0 40 BFAB CCOC(=O)c1ccc2c(c1)CCC(C)(C)O2 1689958 JHJSOHKMQFRAFQ-UHFFFAOYSA-N 234.295 2.967 0 40 BFAB Cc1cc(C(=O)NCC(C)C)c2ccccc2n1 2634811 NXNXAPTTZSRDRK-UHFFFAOYSA-N 242.322 2.929 0 40 BFAB CNC(=O)c1ccc(-c2ccccc2)cc1 5510459 SLFZKCPNPDDSFA-UHFFFAOYSA-N 211.264 2.713 0 40 BFAB c1ccc2[nH]c(NC3=NCCCCC3)nc2c1 5588857 ROHPICKDFJGOOG-UHFFFAOYSA-N 228.299 2.947 0 40 BFAB CC[C@H](CO)NCc1cccc(Cl)c1Cl 8337118 CBCPYXYABORULN-SECBINFHSA-N 248.153 2.854 0 40 BFAB CC(C)Oc1ccc(N)cc1-n1cccc1 8702389 QPWNOLIKUWYWRH-UHFFFAOYSA-N 216.284 2.847 0 40 BFAB C[C@H]1Cc2ccccc2N1C(=O)c1ccco1 13596417 ULUVSOZMODOQCT-JTQLQIEISA-N 227.263 2.871 0 40 BFAB COc1ccc(Oc2ccc(C(=N)N)cc2)cc1 19866118 OPIQLTMBQLPRLA-UHFFFAOYSA-N 242.278 2.772 0 40 BFAB Fc1ccccc1CCNCc1ccccn1 19912828 VXUHVVGDBMLDCI-UHFFFAOYSA-N 230.286 2.553 0 40 BFAB CCC(=O)Nc1ccc(-c2ccc(CO)o2)cc1 20136493 JVASYHLXTVYJGP-UHFFFAOYSA-N 245.278 2.787 0 40 BFAB CC(=O)NCCSCc1cccc(Cl)c1 20238691 XJLGPQPOOLPRMU-UHFFFAOYSA-N 243.759 2.709 0 40 BFAB CCc1ccccc1Nc1ncccc1N 20317451 CHXFCHCWMTXXIP-UHFFFAOYSA-N 213.284 2.970 0 40 BFAB CC[C@@H](C)C(=O)N[C@H](C)c1ccc2c(c1)OCO2 28305267 AKIDXHDKTYAVEU-NXEZZACHSA-N 249.310 2.639 0 40 BFAB C[C@@H]1CCC[C@@H](NC(=O)c2cccn2C)[C@@H]1C 32720209 KWPRIPGEVQVWIX-IJLUTSLNSA-N 234.343 2.580 0 40 BFAB Cc1cccnc1NC(=O)CCc1ccco1 32868838 GCRIFPUEEAVTCH-UHFFFAOYSA-N 230.267 2.554 0 40 BFAB Cc1ccccc1[C@H](C)NC(=O)[C@H]1C[C@@H]1C 32978731 ZVUZXWSXXTVAGZ-GVXVVHGQSA-N 217.312 2.828 0 40 BFAB CN(C)CCCOc1ccc(Cl)cc1 33809288 YCBSTLWQVXYCRU-UHFFFAOYSA-N 213.708 2.671 0 40 BFAB O=C(NC[C@H]1CCCc2ccccc21)C1CC1 36392413 RUSGJNYDTLQUFU-CYBMUJFWSA-N 229.323 2.633 0 40 BFAB CCc1ccc(C(=O)N[C@H](C)C(C)C)o1 36395990 XXJORUJHLMBLSX-SECBINFHSA-N 209.289 2.616 0 40 BFAB CCCC(=O)Nc1ccccc1-n1ccnc1 39338895 WTYYZJDYWJCCTH-UHFFFAOYSA-N 229.283 2.611 0 40 BFAB C[C@H]1CCCC[C@@H]1NC(=O)NCc1ccco1 40474213 DNDSAZZLMNKKHJ-JQWIXIFHSA-N 236.315 2.658 0 40 BFAB CCN(Cc1ccccc1)C(=O)c1ccncc1 46082121 MYQKIVGFEVPAHG-UHFFFAOYSA-N 240.306 2.744 0 40 BFAB C[C@H]1CCCCN1Cc1cccc(O)c1 62183929 KHMPYRXDRBTNHP-NSHDSACASA-N 205.301 2.767 0 40 BFAB O=C(C1CCCC1)N1CCOc2ccc(F)cc21 62570832 IFDGCFVQXIVIAO-UHFFFAOYSA-N 249.285 2.741 0 40 BFAB CC(C)CNC(=O)c1ccc2ncccc2c1 70266327 UROXDRJNCQDLAP-UHFFFAOYSA-N 228.295 2.621 0 40 BFAB CCCc1ccc([C@@H](C)OCCN)cc1 71510702 SVRATUFLWQTKMM-LLVKDONJSA-N 207.317 2.675 0 40 BFAB Cc1nc(O)ccc1[C@@H]1CCCN1CC(C)C 72218203 LDRCQUSDWKNCML-ZDUSSCGKSA-N 234.343 2.889 0 40 BFAB Cc1ccc(C(=O)c2ccc(C(=O)O)o2)cc1 82296505 PMPDURQTOQOPOZ-UHFFFAOYSA-N 230.219 2.517 0 40 BFAB O=C(O)c1ccnc(C2CCCCC2)c1 82379613 BUFTWPSTNNYMNE-UHFFFAOYSA-N 205.257 2.828 0 40 BFAB Cc1cc(/C=C/C(=O)O)c(C)n1C(C)C 82594219 AGXDMGLRBOWMDY-AATRIKPKSA-N 207.273 2.784 0 40 BFAB O=C(c1ccc2ccc(Cl)cc2n1)N1CCC1 84168544 LMFSQBZOUSBGNL-UHFFFAOYSA-N 246.697 2.734 0 40 BFAB COc1c(C)cccc1CNCC(C)C 95094808 QTESRZBHQHPPQP-UHFFFAOYSA-N 207.317 2.749 0 40 BFAB Cc1cc2cccnc2n1C1(CO)CCCC1 95644204 BIFVUBQSQVXRRP-UHFFFAOYSA-N 230.311 2.606 0 40 BFAB CSc1ccc(O)cc1Br 95712411 ABSNKMSMFPCHCV-UHFFFAOYSA-N 219.103 2.877 0 40 BFAB C[C@H](Cc1c[nH]c2ccc(F)cc12)C(=O)O 96872766 BLEQJARIPMGEMW-SSDOTTSWSA-N 221.231 2.570 0 40 BFAB Cc1ccc2c(c1)[C@@H]1CCCC(=O)[C@H]1N2 100769724 KQAOLVJMYZHVBN-ZANVPECISA-N 201.269 2.626 0 40 BFAB biogenic CCN(CC)[C@H](Cc1cc(C)ccc1C)C(=O)O 107843665 FKEGEISQUJKEDK-CQSZACIVSA-N 249.354 2.641 0 40 BFAB Cc1noc(C)c1C[S@](=O)c1ccoc1C 189608373 XMNKRZBDGMDVNB-INIZCTEOSA-N 239.296 2.501 0 40 BFAB Cc1ccccc1-c1noc(-c2cnco2)n1 216620950 VHEVKAHEUBTESM-UHFFFAOYSA-N 227.223 2.700 0 40 BFAB Cc1cc(Cl)ccc1N(C)CCCC(=O)O 224991732 WQGZXGZJQBDXFM-UHFFFAOYSA-N 241.718 2.949 0 40 BFAB C[C@@H]1CCCCN1c1ncc(Cl)cn1 253472184 JZRACGGHJRLENM-MRVPVSSYSA-N 211.696 2.509 0 40 BFAB CC(C)=C(F)c1nc(-c2cncs2)no1 336180114 WCUJCEHHVWLIHH-UHFFFAOYSA-N 225.248 2.914 0 40 BFAB Nc1c(Cl)cc(F)c(F)c1Br 585681218 WRYYSTBXABTPQN-UHFFFAOYSA-N 242.450 2.963 0 40 BFAB CC(C)N(C)C(=O)[C@]1(c2ccccc2)CCCO1 929922774 RNVOWZXRYQZMRU-OAHLLOKOSA-N 247.338 2.559 0 40 BFAB COC(=O)Cc1cc2ccccc2s1 156107 UOUNYJRQATVNID-UHFFFAOYSA-N 206.266 2.617 0 40 BFAB O=C(Cc1cc(F)cc(F)c1)C(F)(F)F 2579852 YYGSSUXFNAKYFC-UHFFFAOYSA-N 224.128 2.639 0 40 BFAB Cc1cc(C)n(CNc2ccccc2C)n1 3162979 ROQCKXALVPIDMS-UHFFFAOYSA-N 215.300 2.878 0 40 BFAB O=C(Nc1ccc(F)cc1F)c1ccccn1 3455990 VXBQPIRFKUNWLX-UHFFFAOYSA-N 234.205 2.612 0 40 BFAB O=C(N[C@@H]1C[C@@H]1c1ccccc1)c1ccccc1 4762825 PNDHLCFURACDRW-HUUCEWRRSA-N 237.302 2.973 0 40 BFAB COc1ccc(C)cc1NC(=O)c1cc(C)on1 7971261 AVKJFYZJFOTFQU-UHFFFAOYSA-N 246.266 2.552 0 40 BFAB CCCc1nnc(NC(=O)c2ccccc2)s1 9329758 WTCLSLCSWOLOEI-UHFFFAOYSA-N 247.323 2.743 0 40 BFAB Cc1cc(C(=O)CCCC(=O)O)ccc1F 11631177 DTRLZILYDPUEQG-UHFFFAOYSA-N 224.231 2.572 0 40 BFAB CCc1ccc([C@H](N)c2cccnc2)cc1 11737292 JYYMVHGJPWYOHW-AWEZNQCLSA-N 212.296 2.692 0 40 BFAB Cc1cccnc1NC(=O)Nc1ncccc1C 12524205 QYCPPNRJHGKALS-UHFFFAOYSA-N 242.282 2.737 0 40 BFAB Cc1cccc(C(=O)N[C@@H](C)c2cccnc2)c1 12546074 FVXLSWCXTDUJFQ-LBPRGKRZSA-N 240.306 2.881 0 40 BFAB Cc1ccc(O)c(C(=O)N2CCC(C)CC2)c1 12941953 JDMHXUGMXLCLEE-UHFFFAOYSA-N 233.311 2.573 0 40 BFAB O=Cc1cc(-c2cccc(C(=O)O)c2)cs1 16946377 YTPSXGLWFQVQFO-UHFFFAOYSA-N 232.260 2.926 0 40 BFAB O=C1Nc2ccccc2N[C@H]1c1ccccc1 19046378 IURISRNFECQLRH-ZDUSSCGKSA-N 224.263 2.792 0 40 BFAB CCOc1ccccc1[C@@H]1C[C@@H]1[C@@H](C)O 20392352 CBFYMQPYNYGCPF-JLLWLGSASA-N 206.285 2.570 0 40 BFAB CC(C)(C)Cc1noc2ncc(C(=O)O)cc12 22220427 QSMKZAPDOQEMHK-UHFFFAOYSA-N 234.255 2.510 0 40 BFAB C[C@H]1C[C@@H]1C(=O)NC12CC3CC(CC(C3)C1)C2 23584067 KEDJQFLLRPRICD-KUCLCAPISA-N 233.355 2.727 0 40 BFAB O=C(O)c1c[nH]c2cc(OC(F)(F)F)ccc12 26894707 FCXHCKYCORWSJP-UHFFFAOYSA-N 245.156 2.765 0 40 BFAB Fc1ccccc1CNCCOc1ccccc1 32102037 PBLKYBXASXSPPM-UHFFFAOYSA-N 245.297 2.994 0 40 BFAB CN(Cc1ccsc1)C(=O)C1CCCC1 32741258 IUKYKILLQYJPAE-UHFFFAOYSA-N 223.341 2.897 0 40 BFAB Nc1ccc(Cl)c(-c2ccccn2)c1 32914822 QWVLHTCIAZPQAY-UHFFFAOYSA-N 204.660 2.984 0 40 BFAB in-vitro O=C(c1ccccc1)c1ccc(Cl)[nH]1 34478170 PKOYUCYDNKHXNN-UHFFFAOYSA-N 205.644 2.899 0 40 BFAB CC(C)[C@@H](C)N1Cc2ccc(N)cc2C1 36683399 GDQUEUGAGGKHPU-SNVBAGLBSA-N 204.317 2.629 0 40 BFAB in-vitro Cc1ccc(F)c(NCc2csnn2)c1 36902164 WULOXULDKMYSRF-UHFFFAOYSA-N 223.276 2.598 0 40 BFAB CCCN[C@H]1CCCN(Cc2ccccc2)C1 36904506 IQTNFERCZAPJFD-HNNXBMFYSA-N 232.371 2.651 0 40 BFAB in-vitro CC(C)COc1ccc(C(C)(C)N)cc1 37934582 UOJUPOMVRPWNCV-UHFFFAOYSA-N 207.317 2.915 0 40 BFAB in-vitro CCC[C@@H]1CN(Cc2ccccc2)CCC1=O 39370477 LREIAPHWNGPAPR-CQSZACIVSA-N 231.339 2.878 0 40 BFAB CSc1ccc(CN2CCO[C@H](C)C2)cc1 40479450 RTJKAOLSEVPOKR-LLVKDONJSA-N 237.368 2.629 0 40 BFAB CN(CC1CCCCC1)C(=O)c1cccn1C 40497074 WURLDSWLVIKXEO-UHFFFAOYSA-N 234.343 2.677 0 40 BFAB CN(C(=O)CC[C@H]1CCCO1)c1ccccc1 40506396 XOALGKAFIJQYDA-CYBMUJFWSA-N 233.311 2.609 0 40 BFAB COc1ccccc1S[C@@H](C)C(C)=O 41031050 GRRIALSICPVTAF-VIFPVBQESA-N 210.298 2.765 0 40 BFAB COC(=O)C[C@@H]1CCCCN1Cc1ccccc1 42684502 GMACJDSFVJXSTG-AWEZNQCLSA-N 247.338 2.604 0 40 BFAB Cc1ccc(C(=O)[C@H]2CC[C@@H](C(=O)O)C2)c(C)c1 43878982 CCKRTGYZDFMFMB-NWDGAFQWSA-N 246.306 2.987 0 40 BFAB CCN(CCCC(=O)O)c1ccc(F)cc1 50012178 BKUKTZOBHTUEJC-UHFFFAOYSA-N 225.263 2.517 0 40 BFAB COc1cc2cc3c(nc2cc1Cl)NCC3 61997425 MPQYSCPOVIJZHO-UHFFFAOYSA-N 234.686 2.865 0 40 BFAB Cc1noc([C@@H](C)Oc2cccc(F)c2)n1 69658912 OEMDODYJULRGLI-SSDOTTSWSA-N 222.219 2.657 0 40 BFAB C[C@H](N)c1cc(Br)cs1 70598986 AXVSYXUKBUXMHZ-BYPYZUCNSA-N 206.108 2.530 0 40 BFAB Cc1cccc(-n2cnc(Br)c2)c1 72193527 FLTYGHAFXGDJIV-UHFFFAOYSA-N 237.100 2.943 0 40 BFAB COc1ccc(C(=O)N2CCC[C@@H](C)C2)cc1C 74946575 QRORLRKUAWILCC-LLVKDONJSA-N 247.338 2.876 0 40 BFAB O=C(O)[C@@H]1CCC[C@@H](CC(F)(F)F)C1 75135425 QIDHTBAGCKXPJI-RNFRBKRXSA-N 210.195 2.830 0 40 BFAB O=C(O)C1(c2csc(-c3ccccc3)n2)CC1 78404206 PKJUPYUMCDDTIY-UHFFFAOYSA-N 245.303 2.926 0 40 BFAB CCCCn1ccc([C@H](C)NCCOC)c1 78406152 IBOCISOOAOIQCE-LBPRGKRZSA-N 224.348 2.585 0 40 BFAB O=C1CCCc2c1cnn2-c1cccc(F)c1 82824021 SAZXQADDWXHHKJ-UHFFFAOYSA-N 230.242 2.530 0 40 BFAB Clc1ccc2[nH]c3c(c2c1)COCC3 83728652 YANINBQINHSQKG-UHFFFAOYSA-N 207.660 2.894 0 40 BFAB CCNCc1cccn1Cc1cccc(C)c1 90995980 OPZDIADCVFBMBE-UHFFFAOYSA-N 228.339 2.954 0 40 BFAB CCCCOc1ccc(CCO)cc1C 95732051 ZXNJDFPIQAXFGW-UHFFFAOYSA-N 208.301 2.709 0 40 BFAB CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H]1C2(F)F 95875800 HDWQLYOAWXSNNF-SFYZADRCSA-N 233.258 2.651 0 40 BFAB COC(=O)c1ccc(F)c2ccccc12 95931959 BGKRQQWFGKBQFV-UHFFFAOYSA-N 204.200 2.766 0 40 BFAB CC(C)(C)[C@@H]1CC[C@H](C(F)(F)F)CN1 96509834 JRHFIUMBLINUGK-YUMQZZPRSA-N 209.255 2.963 0 40 BFAB COC[C@@H](C)Nc1cccc(N(C)C(C)C)c1 97095637 SBNGETKQOVGHSH-GFCCVEGCSA-N 236.359 2.978 0 40 BFAB CC(=O)N[C@@]1(C)[C@@H]2CC[C@@]3(C)N=C(C)[C@@H]1C[C@H]3C2 104124054 QAZDHIAODBUACH-QMIVOQANSA-N 248.370 2.551 0 40 BFAB CC[C@@H](C(=O)O)N(CC)c1ccccc1C 224980699 SDFISTWPZRYKDF-NSHDSACASA-N 221.300 2.685 0 40 BFAB COc1ccc([C@@H](O)c2ccc(C)cc2)cc1N 226292480 CLEOPOHSIDDXNO-HNNXBMFYSA-N 243.306 2.668 0 40 BFAB OC1(Cc2ccc(Cl)c(F)c2)CCOCC1 236469933 SIKPSWJSLQVRIF-UHFFFAOYSA-N 244.693 2.563 0 40 BFAB c1cnc2oc(CN[C@@]34CCC[C@@H]3C4)cc2c1 657552955 QVXBQXKREQEKPN-BXUZGUMPSA-N 228.295 2.860 0 40 BFAB Fc1ccccc1CNCc1ccccn1 802050 PXEUSIGXIJBZBD-UHFFFAOYSA-N 216.259 2.511 0 40 BFAB CCCN1CCC2(CC1)COCc1ccccc12 1869815 CJADCGLEZPEFHH-UHFFFAOYSA-N 245.366 2.960 0 40 BFAB CC(C)COc1ccc(CSCCN)cc1 2571732 HOUADCOZGLQJCO-UHFFFAOYSA-N 239.384 2.913 0 40 BFAB O=C(OC1CCCC1)c1cccnc1Cl 3258409 MEHWYJABAUNOOA-UHFFFAOYSA-N 225.675 2.834 0 40 BFAB COc1ccc([C@@H](N)c2ccccc2)cc1OC 4312902 PGBFJBABOKHGQU-HNNXBMFYSA-N 243.306 2.752 0 40 BFAB Cc1cccc(N[C@@H]2OC(=O)c3ccccc32)n1 4384847 QZXQEXUGCBDFKK-CYBMUJFWSA-N 240.262 2.671 0 40 BFAB O=C(O)c1ccc2[nH]c(=S)sc2c1 5687869 GJZGGNOKWQKDIY-UHFFFAOYSA-N 211.267 2.657 0 40 BFAB COc1ccccc1NCc1ccco1 7276564 DSMUKPMDAGHCJJ-UHFFFAOYSA-N 203.241 2.900 0 40 BFAB CC[C@@H](CO)NCc1ccc(Cl)c(Cl)c1 8326324 ANBJZCUFUYRUDR-VIFPVBQESA-N 248.153 2.854 0 40 BFAB CNC(=O)CSCc1cccc2ccccc12 12553529 MWPNPYOJIRIKIT-UHFFFAOYSA-N 245.347 2.819 0 40 BFAB CC[C@@H](C)NC(=O)c1c(C)oc(C)c1C 12947765 HRVDPCVFEWKKPC-SSDOTTSWSA-N 209.289 2.733 0 40 BFAB Cc1cc(Oc2cccnc2)ccc1N 14630895 KRHGWXUKHRDJJT-UHFFFAOYSA-N 200.241 2.765 0 40 BFAB CCCCNC[C@H]1CCCN1CCCC 22073442 VKEQMYAKYWEWNZ-CYBMUJFWSA-N 212.381 2.641 0 40 BFAB Cc1noc([C@@H](C)N2CCc3sccc3C2)n1 27812868 RVQMCQIGFZHMKE-MRVPVSSYSA-N 249.339 2.559 0 40 BFAB C[C@H]1CCCC[C@H]1N(C)C(=O)c1ccco1 32787731 VYXBJTIVSBVZOH-WDEREUQCSA-N 221.300 2.930 0 40 BFAB CCn1c(-c2cc(N)[nH]n2)c(C)c2ccccc21 32918948 FQYWOBXEUVKQSW-UHFFFAOYSA-N 240.310 2.942 0 40 BFAB Cc1ccccc1[C@@H](C)NC(=O)C1CCC1 32978726 OJPLPJQEPNCOAA-LLVKDONJSA-N 217.312 2.972 0 40 BFAB C=CC(=O)N1CCc2sccc2[C@H]1CC 37831235 LBGDCXIUFNWKTA-SNVBAGLBSA-N 221.325 2.770 0 40 BFAB CCOc1c(F)cc(C(C)=O)cc1F 38529878 ZKFNHJQYENLQNK-UHFFFAOYSA-N 200.184 2.566 0 40 BFAB CC(C)c1ccc([C@H](CN)N2CCCC2)cc1 38827574 TWJVTFWLVAGBPQ-HNNXBMFYSA-N 232.371 2.906 0 40 BFAB CNC(=O)[C@H](C)Sc1ccc(C)c(C)c1 40464743 ZCRGTTQGQVXPJJ-JTQLQIEISA-N 223.341 2.530 0 40 BFAB CCc1ccc(C(=O)N2CCC[C@@H](C)C2)o1 40510966 DXIMDALYKMLDAX-SNVBAGLBSA-N 221.300 2.714 0 40 BFAB CCN(CC[C@@H]1CCCNC1)Cc1ccccc1 42783385 QOVCYXIIAJNORN-HNNXBMFYSA-N 246.398 2.898 0 40 BFAB Cc1noc(CN2CCC[C@H]2c2ccsc2)n1 44937856 VLWPAZKYLJXTSQ-NSHDSACASA-N 249.339 2.777 0 40 BFAB O=C(NCc1ccoc1)Nc1ccc(F)cc1 47688286 GTKCMLTVFUDOGI-UHFFFAOYSA-N 234.230 2.740 0 40 BFAB CC(C)C[C@@H]1Nc2ccccc2C(=O)N1C 49538541 NGUZNKWTSCVVSN-GFCCVEGCSA-N 218.300 2.556 0 40 BFAB biogenic Cc1n[nH]cc1NC(=O)Nc1ccccc1F 58014399 PBHNYSNUIAIBGR-UHFFFAOYSA-N 234.234 2.501 0 40 BFAB CCn1ccnc1SCc1cccc(OC)n1 69807926 KAIWPJYIYHTJQL-UHFFFAOYSA-N 249.339 2.599 0 40 BFAB CCC[C@H]1CCCC[C@@H]1NC(=O)NCC 71796299 JGIMTQYGTUYZSK-QWRGUYRKSA-N 212.337 2.664 0 40 BFAB CC(C)CN1CCC[C@H]1c1ccccn1 72210979 ZKUIEQVTHXGDEL-ZDUSSCGKSA-N 204.317 2.875 0 40 BFAB NC[C@H](CCc1ccccc1)C(F)(F)F 74111276 BYUMCMFSVNJSBK-JTQLQIEISA-N 217.234 2.756 0 40 BFAB Cc1ccc([C@H](O)C(F)(F)F)cc1F 82503828 FVYSVHJFPHBIBP-QMMMGPOBSA-N 208.154 2.730 0 40 BFAB O=C(O)C1(c2ccc(Cl)c(F)c2)CC1 82967836 SCLMZYVNTVEMGB-UHFFFAOYSA-N 214.623 2.595 0 40 BFAB C[C@@H](O)c1cccc(OC(F)(F)C(F)F)c1 95637100 PKVQZZJIKKEBFO-ZCFIWIBFSA-N 238.180 2.977 0 40 BFAB CC(C)Oc1cccc([C@@H](O)c2cccn2C)c1 95727897 WIABYOGFJCXZLG-OAHLLOKOSA-N 245.322 2.894 0 40 BFAB CC1(C)COC2(C[C@@H]3C=CC[C@H]3C2)OC1 95929136 MFPZHVAUQQEPCD-QWRGUYRKSA-N 208.301 2.742 0 40 BFAB CCCOc1c(Cl)csc1C(=O)O 96510952 XFYYUQIGCJLGML-UHFFFAOYSA-N 220.677 2.889 0 40 BFAB CC1=CCC[C@@H](C)[C@H]1CNCCc1ccnn1C 97098979 GAOILOQZFVCFBT-HIFRSBDPSA-N 247.386 2.545 0 40 BFAB CC(=O)c1cn(C(C)C)c2cnccc12 98179036 JRXMCKDWYVVJMJ-UHFFFAOYSA-N 202.257 2.820 0 40 BFAB in-vitro C1=CC[C@]23C=C[C@@]2(C1)[C@@H]1C=C[C@@H]3[C@H]2COC[C@@H]21 104286562 QXBDRQSGBBHKCP-UGYDUONOSA-N 226.319 2.957 0 40 BFAB Cc1ccc(C(=O)C(F)(F)F)c(F)c1 107767405 OQAKIXCZEKRICS-UHFFFAOYSA-N 206.138 2.879 0 40 BFAB OC[C@@H]1CCC[C@@H]1N[C@@H](c1ccccc1)C1CC1 108328929 NPMNSDBGGAEZJK-JYJNAYRXSA-N 245.366 2.888 0 40 BFAB CCOC(C)(C)C(=O)OCc1ccccc1 148205128 CNHMQZFFADAGSF-UHFFFAOYSA-N 222.284 2.545 0 40 BFAB CC(=O)N1CCCC2(CCCCC2)CC1 225550180 MYYYGDYOKPBBSF-UHFFFAOYSA-N 209.333 2.969 0 40 BFAB CCCOc1nc(Cl)ncc1C(F)(F)F 252490114 KJMOMGDSOGYDHQ-UHFFFAOYSA-N 240.612 2.938 0 40 BFAB CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CC(=O)C[C@]2(C)C1 953103083 YAXSRTVHTJNWJW-RULNRJAQSA-N 238.327 2.724 0 40 BFAB Cc1c(Br)ccc2nccnc12 1857775662 MMSAUSUYJVUOJD-UHFFFAOYSA-N 223.073 2.701 0 40 BFAB CC(C)CCNC(=O)c1ccccc1F 362722 HQURIOKKGUZWCC-UHFFFAOYSA-N 209.264 2.602 0 40 BFAB CC1(C)CC(OC(=S)S)CC(C)(C)N1O 1559462 QFNYWGPIIGGUFF-UHFFFAOYSA-N 249.401 2.629 0 40 BFAB CCN(CC)CC(=N)N(CC)c1ccccc1 1625184 LJFGHUIRQVPCAJ-UHFFFAOYSA-N 233.359 2.832 0 40 BFAB Cc1ccc([C@]2(C)OCC[C@H](C)O2)cc1 1678005 BYGJZFXGXMYVFD-WCQYABFASA-N 206.285 2.993 0 40 BFAB N[C@](C(=O)O)(c1ccccc1)C1CCCCC1 2507851 BRBQDZBKZKUUMW-CQSZACIVSA-N 233.311 2.506 0 40 BFAB Cc1ccc(-c2cc[n+]3ccccc3n2)cc1 2556047 PZFDWLNVOXIVPY-UHFFFAOYSA-N 221.283 2.796 0 40 BFAB O=C(C[C@]1(O)Cc2ccccc21)c1ccccc1 3848231 QDDPCXGJJZTFAP-MRXNPFEDSA-N 238.286 2.703 0 40 BFAB biogenic Cc1nn(CC(C)C)c2sc(C(=O)O)cc12 4200322 HCMVRUJVLRJVQQ-UHFFFAOYSA-N 238.312 2.760 0 40 BFAB CC[C@@H](Nc1cc(C)cc(C)c1)C(=O)O 8702767 PNYCXOLDCZZOLO-LLVKDONJSA-N 207.273 2.579 0 40 BFAB CC(C)N1CCC[C@H](C(=O)Nc2ccccc2)C1 9389002 RCCXQSOUQLJFJS-ZDUSSCGKSA-N 246.354 2.746 0 40 BFAB CCCCCC(=O)c1cc(O)ccc1O 19075684 FAGHITZLJQFYNE-UHFFFAOYSA-N 208.257 2.861 0 40 BFAB CCOc1ccccc1[C@@H]1C[C@@H]1C(C)=O 20392346 KONPPYQVYNWOOL-NEPJUHHUSA-N 204.269 2.778 0 40 BFAB COc1cccc(Nc2ncc(C)cc2N)c1 36242846 NEEJHGMIQLQDAK-UHFFFAOYSA-N 229.283 2.724 0 40 BFAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NC(C)C 38752798 GZAWYYCGEBUUDV-CQSZACIVSA-N 249.354 2.985 0 40 BFAB Fc1ccccc1-c1nc([C@H]2CCCCN2)no1 40443429 DRANOHDAYYHWBI-LLVKDONJSA-N 247.273 2.690 0 40 BFAB Cc1ccncc1C(=O)c1cc(F)ccc1F 45029026 YRNBTVUAGVKPQH-UHFFFAOYSA-N 233.217 2.899 0 40 BFAB CCCNC(=O)Nc1ccc(OCC)cc1C 48142275 OFEDOGZXAKZAKV-UHFFFAOYSA-N 236.315 2.925 0 40 BFAB CCCN(Cc1c(C)noc1C)CC1CC1 52890754 QHAOVPSNXKXQIA-UHFFFAOYSA-N 222.332 2.913 0 40 BFAB Cc1ccc(F)c2c(O[C@H](C)C(=O)O)ccnc12 64874869 CKEUDOQWBHBYCE-MRVPVSSYSA-N 249.241 2.534 0 40 BFAB O=C(c1cc2ccc(Cl)cc2[nH]1)N1CCC1 71885452 APXAYSQOLBRYKN-UHFFFAOYSA-N 234.686 2.667 0 40 BFAB Cc1ccc(-c2cnc(C=O)o2)c(C)c1 72219829 UMNXXLKTWGFAHM-UHFFFAOYSA-N 201.225 2.771 0 40 BFAB c1ccc(Nc2ccc([C@@H]3CCCN3)nc2)nc1 72376690 REJJRRNYOSDZDA-LBPRGKRZSA-N 240.310 2.645 0 40 BFAB O=C(CCSc1ccccc1)Nc1cnoc1 75170871 XVKVFVGQQUNEOO-UHFFFAOYSA-N 248.307 2.796 0 40 BFAB Cc1ccc(NCc2cccc(O)c2)nc1 83347845 LWGBFGOPIUNSLS-UHFFFAOYSA-N 214.268 2.708 0 40 BFAB CC(C)CC(=O)c1ccc(O)c(F)c1F 88120941 OQALBGMLCWWBCH-UHFFFAOYSA-N 214.211 2.899 0 40 BFAB Fc1ccccc1[C@H]1CCNCCS1 90397218 HIMXEVGMOSZOIH-LLVKDONJSA-N 211.305 2.593 0 40 BFAB Cc1cc(C[C@@H](C)N[C@@H]2CCCC2(C)C)n[nH]1 90533960 BXYQTXYPFCLRCB-ZWNOBZJWSA-N 235.375 2.817 0 40 BFAB CC[C@H](COC)N[C@@H](c1nccs1)C1CC1 95968584 LHQINNQGYIBAFJ-GHMZBOCLSA-N 240.372 2.609 0 40 BFAB CO[C@@H](CNC(=O)C(C)(C)C)c1ccccc1C 96104907 LBEVDZDHVPXSQR-ZDUSSCGKSA-N 249.354 2.845 0 40 BFAB CO[C@H](C)c1cc(Cl)nc([C@@H](C)OC)n1 96529034 GYWBORBQMUDFPE-RNFRBKRXSA-N 230.695 2.545 0 40 BFAB COc1ccccc1C(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2 100406955 VNLRAFUIJPCGHP-NQBHXWOUSA-N 245.322 2.614 0 40 BFAB CC[C@H](CC1CC1)NC(=O)N1C[C@H]2CC[C@H]1C2 110591677 SUSAVLCDRFIGGY-XQQFMLRXSA-N 236.359 2.759 0 40 BFAB CC(C)(O)c1ccc(F)cc1Br 115917843 LXUOROQLNQMWLL-UHFFFAOYSA-N 233.080 2.816 0 40 BFAB COCCC[S@@](=O)Cc1ccccc1Cl 191206231 ROVOAUZELNTGMR-OAHLLOKOSA-N 246.759 2.625 0 40 BFAB Cc1ccc(N[C@@H]2CCC[C@H]2N)c(C)c1 218878200 CHNCPNWMSQSIDT-DGCLKSJQSA-N 204.317 2.595 0 40 BFAB CCCOc1ccccc1[C@H](C)NCCOC 225160545 HWSPQYMUQZUXST-LBPRGKRZSA-N 237.343 2.772 0 40 BFAB CC(C)Oc1nc(Cl)ncc1C(F)(F)F 242463711 DHWTUYYZVWDTHR-UHFFFAOYSA-N 240.612 2.936 0 40 BFAB Fc1cccc(Cc2noc([C@@H]3CCCO3)n2)c1 252489373 JPNAGBGNZSCEHX-NSHDSACASA-N 248.257 2.651 0 40 BFAB CC(C)(C)C(=O)N1CCC2(CC1)CC2(F)F 405136527 UQMDLHQKEMOBMI-UHFFFAOYSA-N 231.286 2.680 0 40 BFAB c1ccc2c(OC3CCOCC3)nccc2c1 585652510 OOYBZZWDWZSYBX-UHFFFAOYSA-N 229.279 2.793 0 40 BFAB Cc1ccc(-c2cncc([C@@H]3CCCN3)n2)cc1 616575110 FLRAQMNJRWALBT-ZDUSSCGKSA-N 239.322 2.877 0 40 BFAB CNc1ncnc2sc3c(c12)CCCC3 40425 YKMNGLGIQNNJHU-UHFFFAOYSA-N 219.313 2.612 0 40 BFAB CCNc1nc(Cl)cc(C(F)(F)F)n1 1396692 HDLQZVWCSCPLLU-UHFFFAOYSA-N 225.601 2.581 0 40 BFAB CCCN(CC)Cc1ccc2c(c1)OCO2 1711276 AMIRENJMMNGDTE-UHFFFAOYSA-N 221.300 2.647 0 40 BFAB CCOP(=O)(OCC)C(=O)C1CCC1 1730508 ODYSYCGSXBDGML-UHFFFAOYSA-N 220.205 2.579 0 40 BFAB Cc1cccc(C)c1NC(=O)Nc1ncccn1 1741821 VQCYMRUGAPGLQJ-UHFFFAOYSA-N 242.282 2.737 0 40 BFAB Cc1ccc(C)c(C(=O)C[C@H](C)C(=O)O)c1 2036480 YZVXEXSBDIMRGV-JTQLQIEISA-N 220.268 2.597 0 40 BFAB O=C(/C=C/c1cccs1)NCc1ccco1 2151467 LJGPHOBCMNGYGQ-AATRIKPKSA-N 233.292 2.671 0 40 BFAB Cc1ccc(C(=O)N(C(C)C)C(C)C)o1 2748722 OMBXXKWDMBNHMZ-UHFFFAOYSA-N 209.289 2.847 0 40 BFAB CCOC(=O)[C@@H](CC)C1CCC(OC)CC1 3845064 RIPFGPWXXCASAS-MCIGGMRASA-N 228.332 2.781 0 40 BFAB biogenic Cc1cc(C)c2nc(C)c(C(=O)O)cc2c1 4384696 GMHYAEQGWZGISX-UHFFFAOYSA-N 215.252 2.858 0 40 BFAB CC1(C)C/C(=C\c2ccccc2)C(=O)O1 4897567 YJYNXXMKUKZVQI-DHZHZOJOSA-N 202.253 2.796 0 40 BFAB COc1cc(O)c2c(c1)CCC21CCC(=O)CC1 6017660 WSWHSHJDUZRVPR-UHFFFAOYSA-N 246.306 2.728 0 40 BFAB biogenic C/C=C/C=C/C(=O)NCc1ccc(F)cc1 6784313 IOFLAOIRUCCRRC-MQQKCMAXSA-N 219.259 2.574 0 40 BFAB COc1cccc(NC(=O)[C@H]2CC=CCC2)c1 12918754 BMIXXPRORDZBJB-NSHDSACASA-N 231.295 2.990 0 40 BFAB Cc1cccc(OCC[C@H]2CCCCN2)c1 14632330 SXHLAPAHITZCGJ-CYBMUJFWSA-N 219.328 2.906 0 40 BFAB Cc1ccc(-c2ccc3c(c2)C(=O)C(=O)N3)cc1 16946225 DVVYNKPDVYRUCX-UHFFFAOYSA-N 237.258 2.797 0 40 BFAB COCCN[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 19881213 BIWZRCPLGYEICT-JHJVBQTASA-N 213.365 2.683 0 40 BFAB COC[C@@H](C)N[C@H](C)c1ccccc1F 19904649 QKXUCCHOOKZQJT-NXEZZACHSA-N 211.280 2.511 0 40 BFAB C1=CC(c2ccccc2)=N[C@H]2CCCC[C@@H]2N1 20153852 VVUDASVFKRRYKL-GJZGRUSLSA-N 226.323 2.904 0 40 BFAB CC(C)c1noc(-c2ccccc2C(=O)O)n1 20593840 HZJVKRDRINUWGW-UHFFFAOYSA-N 232.239 2.558 0 40 BFAB in-vitro Cc1nn(-c2ccccc2)c2c1C(=O)C[C@H](C)C2 20632717 YERJECWYTVBFKF-SNVBAGLBSA-N 240.306 2.946 0 40 BFAB CN[C@H](C)c1ccccc1OC(F)F 21954198 ZGZVCMBNUHRONP-SSDOTTSWSA-N 201.216 2.568 0 40 BFAB C[C@@H](Sc1nccn1C)C(=O)c1ccccc1 35182492 GHRVGEVBRBYNHY-SNVBAGLBSA-N 246.335 2.784 0 40 BFAB CCCOc1c(C)cc(C)cc1C(=O)O 36199448 IHINTBZXHIHTCT-UHFFFAOYSA-N 208.257 2.790 0 40 BFAB Cc1nn(-c2ccccc2F)c(Cl)c1C=O 36905275 YLCZMCMWWRFENV-UHFFFAOYSA-N 238.649 2.786 0 40 BFAB Cc1cc(C(=O)c2cc(F)cc(F)c2)ccn1 45038592 SDNLKUBLRLROBC-UHFFFAOYSA-N 233.217 2.899 0 40 BFAB Cc1cc(N)c(N2CCCCC2)cc1C 45957752 FOGSHBAGNMLSNK-UHFFFAOYSA-N 204.317 2.876 0 40 BFAB C[C@@H]1CCCC[C@@H]1NC(=O)CC[C@@H]1CCCO1 46125891 BBQWZIJITHOIIS-AGIUHOORSA-N 239.359 2.641 0 40 BFAB CC(C)c1noc(CSC2=NCCS2)n1 65621648 CDAIGLCSGJUROK-UHFFFAOYSA-N 243.357 2.529 0 40 BFAB CC(C)CN1CCCC[C@@H]1c1cccnc1N 72212438 CNIKTXWPCQHJFY-CYBMUJFWSA-N 233.359 2.847 0 40 BFAB CC(C)N1CCC[C@H]1c1cccnc1N(C)C 72212656 FPVHFPRYXJCOLR-ZDUSSCGKSA-N 233.359 2.693 0 40 BFAB CCN1CC=C(c2nc3ccccc3o2)CC1 73635978 HARSLUFOCIGEAJ-UHFFFAOYSA-N 228.295 2.937 0 40 BFAB Cc1ccc2[nH]c(CCCN)c(C)c2c1 83284276 IYPMPZYHWMZQAZ-UHFFFAOYSA-N 202.301 2.676 0 40 BFAB C[C@@H](C(=O)NCc1cccnc1)c1ccccc1 85423507 CEMXPTOUQBROST-GFCCVEGCSA-N 240.306 2.502 0 40 BFAB COC[C@@H](Cc1ccccc1)Nc1cccnc1 95969114 ILHRKVLYPGMUFU-OAHLLOKOSA-N 242.322 2.751 0 40 BFAB Cc1cccc(OC[C@@H]2CCOC2)c1F 96500051 CTGGGLWVLQWMFY-SNVBAGLBSA-N 210.248 2.549 0 40 BFAB CCS(=O)(=O)c1cc[nH]c1-c1ccccc1C 96532719 LKBUGMKWIAUCRZ-UHFFFAOYSA-N 249.335 2.784 0 40 BFAB C[C@H]1CCCCN1C[C@H](CO)c1ccccc1 100382680 UIKUEKDWMHIBRL-DZGCQCFKSA-N 233.355 2.637 0 40 BFAB CC1=CCC[C@@H](C)[C@H]1CNC[C@@H](C)CCO 152610015 GAKCVXHXPKZVEE-YUTCNCBUSA-N 225.376 2.587 0 40 BFAB CC(C)(C)CCn1ccnc1[C@@H](O)c1ccco1 187237396 ZQMYWFMLZJFRME-LBPRGKRZSA-N 248.326 2.994 0 40 BFAB CCc1ccc(C[C@H]2C[C@H]2C(=O)O)cc1 217822450 PTDUREYVXGVFIL-NWDGAFQWSA-N 204.269 2.512 0 40 BFAB CCCNC(=O)c1ccc(N[C@H](C)CC)c(N)c1 225407693 BSEIKJBKJVWUIV-SNVBAGLBSA-N 249.358 2.619 0 40 BFAB Oc1nccc2cccc(C(F)(F)F)c12 238710966 VCDDASAITBMQEJ-UHFFFAOYSA-N 213.158 2.959 0 40 BFAB CC(=O)N1c2ccc(Cl)cc2[C@@H]2O[C@H]2[C@@H]1C 242548028 KZLDEALJKUALKL-QNRPFLCFSA-N 237.686 2.535 0 40 BFAB COc1cccc(NC(=O)C2CC(F)(F)C2)c1 334668775 NEACKFYKFIOAGT-UHFFFAOYSA-N 241.237 2.679 0 40 BFAB C[C@@H](Oc1cc(C2CC2)ncn1)C(F)(F)F 585651129 AMOVNSPOBKRURZ-ZCFIWIBFSA-N 232.205 2.684 0 40 BFAB COc1cccc2[nH]c(C(C)C)c(C)c(=O)c12 685938084 BPYZCGJIHTVFRC-UHFFFAOYSA-N 231.295 2.969 0 40 BFAB N[C@H]1CCN(Cc2ccccc2)C2(CCC2)C1 1775955606 KGFHESRNJAEHDI-AWEZNQCLSA-N 230.355 2.532 0 40 BFAB S=C(NC1CCCCC1)N1CCCCC1 73055 JOYWQNWRWYXSCW-UHFFFAOYSA-N 226.389 2.680 0 40 BFAB Cc1ccc(C(=O)Oc2ccccc2O)cc1 377001 GHTQYBVGPBIZCV-UHFFFAOYSA-N 228.247 2.920 0 40 BFAB C[C@H](NC(=O)c1cccs1)c1ccc(O)cc1 1446000 ALLCYDKHXRPRBE-VIFPVBQESA-N 247.319 2.945 0 40 BFAB CCOC(=O)c1[nH]c2ccc(Cl)cc2c1N 4109591 LMNGJTFHRLLAEF-UHFFFAOYSA-N 238.674 2.580 0 40 BFAB Cc1ccc(O)c(NC(=O)Cc2cccs2)c1 4666639 LUBOZDGTIMNARN-UHFFFAOYSA-N 247.319 2.943 0 40 BFAB C[C@@H]1[C@H](c2ccccc2)SC(=N)N1C 4777594 GMFUTRCIEWHKBH-PSASIEDQSA-N 206.314 2.730 0 40 BFAB S=C(Nc1ccccc1)OCc1cccnc1 5741095 SKBODROQALGYET-UHFFFAOYSA-N 244.319 2.995 0 40 BFAB Cc1c(N)cccc1NC(=O)c1cccs1 8907300 DQOSFBGXRJYTGL-UHFFFAOYSA-N 232.308 2.891 0 40 BFAB CCn1cc(C[C@H](C)N)c2cc(F)ccc21 9423355 CIXNMRWJAXYWFF-VIFPVBQESA-N 220.291 2.690 0 40 BFAB Nc1nnc(-c2ccc(Cl)cc2F)s1 19874346 CIJPNWKQTHELPO-UHFFFAOYSA-N 229.667 2.580 0 40 BFAB in-vitro CN(Cc1ccc(Cl)cc1)C(=O)NC1CC1 32843666 KCIIMRBLBFWENO-UHFFFAOYSA-N 238.718 2.644 0 40 BFAB CCOC(=O)[C@H](CCCCCCl)C(C)=O 36405789 OPAYJXBCTOCXPN-SNVBAGLBSA-N 234.723 2.554 0 40 BFAB C[C@@H](N)c1ccc(-n2cc(Cl)cn2)c(F)c1 38053629 YJBUNAFIDMMSEF-SSDOTTSWSA-N 239.681 2.685 0 40 BFAB in-vitro Clc1ccc2nccc(N3CCOCC3)c2c1 41479065 JDHWLXYLUMEEGS-UHFFFAOYSA-N 248.713 2.725 0 40 BFAB Cc1cc(C(C)(C)C)ccc1OC1CNC1 42769601 ZUADZTMYFYEQHK-UHFFFAOYSA-N 219.328 2.643 0 40 BFAB COc1ccccc1COCC[C@H]1CCCCN1 42771854 YCUMLUIRBJFGGA-CQSZACIVSA-N 249.354 2.744 0 40 BFAB CC(C)c1cccc(OC[C@H]2CCNC2)c1 42772828 DSAHKUOAMCLIDR-LBPRGKRZSA-N 219.328 2.798 0 40 BFAB c1ccc2c(NC3CCCC3)cnnc2c1 46087266 DEEDLVIWSMQTGC-UHFFFAOYSA-N 213.284 2.984 0 40 BFAB CO[C@@H](CN)c1ccc(Cl)c(Cl)c1 62711400 VBEUUFVYIZOKCH-VIFPVBQESA-N 220.099 2.640 0 40 BFAB O=C1C[C@H](c2ccccc2)c2ccc(O)cc2N1 66089335 QBMKHRHNYHHUAR-CYBMUJFWSA-N 239.274 2.866 0 40 BFAB Cc1cccc(NCc2scnc2C)n1 70837180 QXZFLEPOAGVAAF-UHFFFAOYSA-N 219.313 2.767 0 40 BFAB Cc1nc(N(C)C)ccc1[C@@H](O)c1ccccc1 72224151 XENKJUSJZGJCMB-HNNXBMFYSA-N 242.322 2.538 0 40 BFAB O=C(C1CCC1)N1CCC(c2ccccn2)CC1 72348512 BIHVEWUWOMSLAL-UHFFFAOYSA-N 244.338 2.588 0 40 BFAB Nc1c(-c2cccs2)nc2ccc(F)cn12 74543001 CLIKVJYDXVXTCK-UHFFFAOYSA-N 233.271 2.784 0 40 BFAB CC(C)CNc1cccc(Cl)c1C(N)=O 79016980 NPBWYAMGMSPZEO-UHFFFAOYSA-N 226.707 2.507 0 40 BFAB Cn1nc(-c2ccccc2F)c(C=O)c1Cl 82329116 GYXLRFPEIXOTGA-UHFFFAOYSA-N 238.649 2.692 0 40 BFAB CCO[C@H]1C[C@H](N(C)Cc2cccnc2)C1(C)C 84800744 PXLHLFUEHUWZDW-KBPBESRZSA-N 248.370 2.717 0 40 BFAB COC(=O)N(C)c1ccc(OC(C)C)cc1 95416388 STIARMSEBVTEQA-UHFFFAOYSA-N 223.272 2.676 0 40 BFAB Clc1ccc2c(c1)CC[C@]21CCNC1 95742313 ZSBPDAQOZOLDDN-GFCCVEGCSA-N 207.704 2.517 0 40 BFAB CC[C@H](C)N(C(=O)[C@@H]1CCO[C@@H]1C)[C@@H](C)CC 97148319 ZKNSKAIPTUAXLN-WUHRBBMRSA-N 241.375 2.837 0 40 BFAB Cc1nc(-c2ccccc2F)c(N)n1C1CC1 100761295 XGJNSSHDZNEQEX-UHFFFAOYSA-N 231.274 2.915 0 40 BFAB CC(C)CC(=O)N[C@@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 101702732 RTEATVNILBCDSE-LOWDOPEQSA-N 223.360 2.973 0 40 BFAB COCOc1cccc(Cl)c1C(C)=O 115629883 BSPYTOCTWKAQQV-UHFFFAOYSA-N 214.648 2.525 0 40 BFAB Nc1cccc(NC(=O)/C=C/c2ccco2)c1 133628293 ZEZIBQSLQHOCIW-VOTSOKGWSA-N 228.251 2.514 0 40 BFAB O=C(OCCCC(F)(F)F)c1ccoc1 157383156 JKYALKBCAIXBCY-UHFFFAOYSA-N 222.162 2.779 0 40 BFAB Cl[C@]12C[C@@H]3[C@@H]4C[C@@](Cl)(O1)[C@@H]1[C@H]4C[C@H]3[C@@H]12 195528768 XACQLMSONRGALD-OVEMKEKMSA-N 231.122 2.809 0 40 BFAB CC(C)c1cc(C(=O)O)c2n1CCCC2 218298891 QSFJVVUXMDJVKP-UHFFFAOYSA-N 207.273 2.646 0 40 BFAB CCCN1C(=O)CCc2cc(S)ccc21 218791019 UHODIJUEXADRQS-UHFFFAOYSA-N 221.325 2.665 0 40 BFAB CC(C)c1ccc([C@@H]2CN(C)C[C@H]2C(=O)O)cc1 252514982 FQHJTCOFTPBBDN-UONOGXRCSA-N 247.338 2.540 0 40 BFAB CC[C@H](C)n1ccc(NCc2cnn(C)c2C)n1 256054694 XJVXUUSOBPWXMW-JTQLQIEISA-N 247.346 2.508 0 40 BFAB O=C(Cc1ccc(F)cc1)N[C@H]1C[C@H]2CC[C@H]1C2 260837121 DIWWJNQKJPNLED-OBJOEFQTSA-N 247.313 2.673 0 40 BFAB CC[C@@H](C)C(=O)c1cccc(OC(C)=O)c1 394501960 FYDDDSODBIVXJW-SECBINFHSA-N 220.268 2.841 0 40 BFAB CC(=O)NCc1ccc(-c2cccs2)o1 575605251 OXUVEXKWEFLZSZ-UHFFFAOYSA-N 221.281 2.644 0 40 BFAB Cc1ccccc1Oc1nccnc1C 1888879628 OILMTEIGBWVYCF-UHFFFAOYSA-N 200.241 2.886 0 40 BFAB N[C@@H](Cc1ccc2c(c1)OCO2)c1ccccc1 1593415 UYTHWQMJKBSROW-ZDUSSCGKSA-N 241.290 2.658 0 40 BFAB O=C(O)CCCC(=O)c1cc(F)c(F)c(F)c1 2378688 RSXJLAGQPSJXFY-UHFFFAOYSA-N 246.184 2.542 0 40 BFAB CC(=O)N[C@]1(C)[C@@H](C)[C@H]2C[C@@H]1[C@@H](C)C2(C)C 4529813 NUMKLBYYJZQOGT-FSEFYBDASA-N 223.360 2.829 0 40 BFAB COP(=O)(Cc1nc2ccccc2o1)OC 5511817 DPYSVMVTDJTRIY-UHFFFAOYSA-N 241.183 2.814 0 40 BFAB Cc1nccn1C(=O)c1ccccc1Cl 6694458 NHTVMAHMYDXJBH-UHFFFAOYSA-N 220.659 2.533 0 40 BFAB CCCc1nnc(COc2ccccc2)o1 7604666 LAWKSMJOTGRZLJ-UHFFFAOYSA-N 218.256 2.601 0 40 BFAB CC[C@@H](SCc1ccccc1)C(=O)O 8729633 GVYTVLRRWSUVRF-SNVBAGLBSA-N 210.298 2.783 0 40 BFAB C/C=C/C=C/C(=O)Nc1cccc(C(=O)OC)c1 9950799 AGXPFIDQRQRMER-PRKJJMSOSA-N 245.278 2.544 0 40 BFAB Cn1cc([C@H]2CCCCN2)c2ccccc21 11919590 QYXNFJAWCYVYNV-CYBMUJFWSA-N 214.312 2.993 0 40 BFAB CCC(=O)Nc1ccc(-c2coc(C)n2)cc1 12914708 JBGJRJUFZAQGBB-UHFFFAOYSA-N 230.267 2.999 0 40 BFAB CCC(=O)Nc1cccc(NC(=O)[C@@H]2C[C@H]2C)c1 12986016 GKJVJRTYFDTSCO-BXKDBHETSA-N 246.310 2.630 0 40 BFAB C[C@H]1C[C@@H](C)CN(c2ccccc2N)C1 15417868 HGVKFJHZLQOFNQ-PHIMTYICSA-N 204.317 2.751 0 40 BFAB Cc1cc(Br)c2cc[nH]c2n1 16678088 WNZFMSGWHBWYFS-UHFFFAOYSA-N 211.062 2.634 0 40 BFAB Cc1ccc(C)c2nc3c(cc12)CNC[C@H](C)O3 19134697 RQISLKDAVVEUGT-NSHDSACASA-N 242.322 2.722 0 40 BFAB Cc1cc(C(=O)Nc2ccccc2)ccc1N 20220736 ZJVXGZYPKHMPAI-UHFFFAOYSA-N 226.279 2.830 0 40 BFAB Cc1ccccc1-c1nnc([C@H]2CCCNC2)o1 32101185 NPWWXXUVCXICHK-NSHDSACASA-N 243.310 2.512 0 40 BFAB Cc1nc(NC(=O)c2ccccc2F)oc1C 32902593 GDPCEMLGPKILQZ-UHFFFAOYSA-N 234.230 2.683 0 40 BFAB NCc1ccc(-c2ccccc2C(=O)O)cc1 34526021 BUNIQRODCAAAQY-UHFFFAOYSA-N 227.263 2.511 0 40 BFAB Cc1ccc(Cn2c(C)cc(CN)c2C)cc1 34936131 OMGDOZKVKMBDOB-UHFFFAOYSA-N 228.339 2.920 0 40 BFAB Cc1ccc(-c2n[nH]c(N)c2C)c(C)c1 36936078 MLLSAENXIRPSCC-UHFFFAOYSA-N 201.273 2.584 0 40 BFAB O=C(c1ccc2c(c1)CCO2)C1CCC1 36942092 FNRZMQWCYOEFGD-UHFFFAOYSA-N 202.253 2.604 0 40 BFAB C=CC(=O)Nc1ccc(C)cc1OCC 37790195 QKFCLCPCBHIATE-UHFFFAOYSA-N 205.257 2.518 0 40 BFAB Brc1nccnc1-c1ccccc1 38272477 LYLYXRRWHBFUJU-UHFFFAOYSA-N 235.084 2.906 0 40 BFAB Cc1cc(N)n(-c2ccc(C(F)(F)F)cc2)n1 41284624 AIEGJLDTIFMPOT-UHFFFAOYSA-N 241.216 2.782 0 40 BFAB CC[C@@H](NCC1(O)CCCCC1)C(C)C 42588514 FPOXBDPMMPGOHN-GFCCVEGCSA-N 213.365 2.706 0 40 BFAB CC(=O)c1ccc(OCC[C@@H]2CCCCN2)cc1 42771463 ZXGAHEKOJYIRSN-AWEZNQCLSA-N 247.338 2.800 0 40 BFAB Cc1cccc2[nH]nc(Br)c12 43220724 BJBFQUJXLZFHCD-UHFFFAOYSA-N 211.062 2.634 0 40 BFAB in-vitro Cc1ccc(F)c(NC(=O)N2CCCC2)c1 43351696 MRBPZXRQWMDEHG-UHFFFAOYSA-N 222.263 2.762 0 40 BFAB CC(=O)N(C)[C@@H](C)c1cccc(Cl)c1 45426191 LZKLZUCQDGLRDI-QMMMGPOBSA-N 211.692 2.879 0 40 BFAB Cc1cc([C@H]2CCCN2CC(C)C)on1 52010448 PLWCIXQAFWTQMO-LLVKDONJSA-N 208.305 2.776 0 40 BFAB CCc1nc(CN(CC)[C@@H](C)COC)cs1 52219701 QKHPEROYBHPKAU-JTQLQIEISA-N 242.388 2.562 0 40 BFAB CC(C)CCNC(=O)CCNc1ccccc1 58392267 DZKDWUUUUPBNFR-UHFFFAOYSA-N 234.343 2.651 0 40 BFAB CC(C)(C)OC(=O)N1CCC2(CC1)CC2 66348817 XSQCPVUVEHFAQU-UHFFFAOYSA-N 211.305 2.798 0 40 BFAB Nc1ccc(OCCC(F)(F)F)c(F)c1 70212553 WKHUOWLHILYHGE-UHFFFAOYSA-N 223.169 2.739 0 40 BFAB Cc1nn(-c2ccccc2O)cc1Cl 70705537 QVEZEODGJINOLR-UHFFFAOYSA-N 208.648 2.540 0 40 BFAB c1cnc(N2CCCCC2)c([C@H]2CCCCN2)c1 72216115 JOIQCSNQEQOZHM-CQSZACIVSA-N 245.370 2.887 0 40 BFAB CCC(=O)c1ccc(NC(C)C)nc1C 72224043 HIXMPHWFLPCEFQ-UHFFFAOYSA-N 206.289 2.803 0 40 BFAB CC[C@H](N)c1ccc(N2CCCCCC2)nc1 72225476 DYRMVAOZHYCCOE-ZDUSSCGKSA-N 233.359 2.872 0 40 BFAB O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCC1 73521666 SWKRBEAMTWJZIP-UHFFFAOYSA-N 234.686 2.667 0 40 BFAB CCCN(CC(=O)O)c1cc(C)cc(C)c1 76610619 NPYGZBDUHGDWQW-UHFFFAOYSA-N 221.300 2.604 0 40 BFAB CCCCNC(=O)c1cc2cccc(OC)c2o1 78660594 FFVOTUKCDWAFOR-UHFFFAOYSA-N 247.294 2.971 0 40 BFAB CCc1ccc(NC(=O)[C@H]2CCCN(C)C2)cc1 82323272 VOXYODSCHRSPLN-ZDUSSCGKSA-N 246.354 2.529 0 40 BFAB CNC(=O)C(C)(C)Cc1cccc(Cl)c1 84741003 GENVKFRPLIWMLA-UHFFFAOYSA-N 225.719 2.655 0 40 BFAB Cc1cc2c(o1)C[C@H](C(F)(F)F)CC2=O 85399183 JOBGRBCGAAXBKA-ZCFIWIBFSA-N 218.174 2.895 0 40 BFAB O=C(O)C(F)(F)SCc1ccccc1 88099322 TYKBWSRFVLVFJD-UHFFFAOYSA-N 218.224 2.597 0 40 BFAB CNC(=O)N1CCC(=Cc2ccccc2)CC1 89386310 QMMYRXCIJQIOGF-UHFFFAOYSA-N 230.311 2.505 0 40 BFAB Cc1ncn(Cc2c(C)nc3ccccn23)c1C 89547628 RNGOFXYWDDPFOJ-UHFFFAOYSA-N 240.310 2.504 0 40 BFAB Cc1cc(C(=O)N2C[C@H]3CCC[C@H]3C2)oc1C 95425847 IGEQTJKMPXMEPG-TXEJJXNPSA-N 233.311 2.769 0 40 BFAB COc1ccc(C(=O)c2nccs2)cc1F 95739898 VUAGKGORQAKZAC-UHFFFAOYSA-N 237.255 2.522 0 40 BFAB CS[C@@H]1CCN(C(=O)c2ccccc2C)C1 96119990 VSVDVPUJWMJFJC-LLVKDONJSA-N 235.352 2.573 0 40 BFAB O[C@@]12Cc3ccccc3[C@@H]3[C@H](c4ccccc41)[C@H]32 104280064 CWPZWBPNJQBXLL-QZWWFDLISA-N 234.298 2.941 0 40 BFAB CCn1nc(C)c(NC(=O)c2ccccc2)c1C 172815769 OXIVFUXGZWOTFF-UHFFFAOYSA-N 243.310 2.772 0 40 BFAB O[C@@H]1CCc2c(Br)ccc(F)c21 217956101 NLVVNRITLSLCDP-MRVPVSSYSA-N 231.064 2.568 0 40 BFAB CCc1cc(N)ccc1NC(=O)c1ccco1 226317288 MAAMWXWORMMWNQ-UHFFFAOYSA-N 230.267 2.677 0 40 BFAB Clc1cncc2[nH]cc(Br)c12 953057326 NGPPRKVBPOBDJK-UHFFFAOYSA-N 231.480 2.979 0 40 BFAB O=C1O[C@@H](Cc2ccccc2)[C@@H]1c1ccccc1 1681775 FJKYJODNGSADFL-GJZGRUSLSA-N 238.286 2.938 0 40 BFAB CCCCC(=O)Oc1ccc(OC)cc1 2057634 ZPDRGYSTSKWYID-UHFFFAOYSA-N 208.257 2.791 0 40 BFAB CC(=O)NC12CC3C[C@H]4C5CC(C[C@H]1[C@@H]5C3)C[C@H]42 2270942 XADNPTMHMQGTJZ-ZWIOXFMCSA-N 245.366 2.583 0 40 BFAB CC(C)CCCNC(=O)c1cccs1 5643377 UCXJBDICTDGRHX-UHFFFAOYSA-N 211.330 2.914 0 40 BFAB Cn1ccnc1SCc1nc2ccccc2o1 7901145 YZMUKOOGOHULGF-UHFFFAOYSA-N 245.307 2.854 0 40 BFAB CC[C@H](Nc1ccc(F)c(Cl)c1)C(=O)O 8730620 SXYOOFSHCWWIOM-VIFPVBQESA-N 231.654 2.754 0 40 BFAB CC[C@@H](C)C(=O)Nc1cccc(C(=O)OC)c1C 12985107 MUPXEVXBZKWLPH-SECBINFHSA-N 249.310 2.766 0 40 BFAB Nc1ccccc1CN1CCc2ccccc21 19400656 CEWQIFHKJLVCAQ-UHFFFAOYSA-N 224.307 2.832 0 40 BFAB in-vitro NCc1ccc(N2CCc3ccccc32)cc1 19865429 YAUCDIJBVZIXSF-UHFFFAOYSA-N 224.307 2.840 0 40 BFAB Cc1ccccc1CNC(=O)C1CCCC1 32678661 CLCFVDKMUWDHEU-UHFFFAOYSA-N 217.312 2.801 0 40 BFAB NCCCc1c(Cl)cccc1Cl 35321577 MUPCHDIPZYDGEA-UHFFFAOYSA-N 204.100 2.885 0 40 BFAB in-vitro O=C(c1ccsc1)[C@H](O)c1ccsc1 36439232 SCZZSZQLTIZGQT-SECBINFHSA-N 224.306 2.726 0 40 BFAB in-vitro Cc1ccc(Br)c2sc(N)nc12 37368678 YSELEMFWTDAHPP-UHFFFAOYSA-N 243.129 2.949 0 40 BFAB O[C@H]1CCCC[C@@H]1Oc1ccccc1F 37695371 CIPUEWPVMVLTOV-JQWIXIFHSA-N 210.248 2.508 0 40 BFAB CC(C)[C@@H](CCc1ccccc1)C(=O)O 39234488 IIUOJSGKSMQGAQ-GFCCVEGCSA-N 206.285 2.976 0 40 BFAB in-vitro CCC[C@H]1CN(Cc2ccccc2)CCC1=O 39370479 LREIAPHWNGPAPR-AWEZNQCLSA-N 231.339 2.878 0 40 BFAB CC(C)Cn1nccc1NC(=O)C1CCCC1 40489389 BGYXXKCUEGSSBX-UHFFFAOYSA-N 235.331 2.668 0 40 BFAB C[C@@H](OCc1ccccc1)C(=O)NC(C)(C)C 40516080 SYWMUMLXGCNUSM-LLVKDONJSA-N 235.327 2.506 0 40 BFAB CN(C)C(=O)c1cnc(-c2ccccc2)s1 40535429 XQWFAHFEBMVLFW-UHFFFAOYSA-N 232.308 2.512 0 40 BFAB CCN(Cc1ccc(C(N)=O)cc1)C1CCCC1 47966917 SRGYAKXDCBGGKK-UHFFFAOYSA-N 246.354 2.550 0 40 BFAB CN(Cc1ccncc1)C(=O)Nc1ccccc1 57524904 GPXMFXVWUOMHMZ-UHFFFAOYSA-N 241.294 2.746 0 40 BFAB Cc1ccc(NCC(=O)N2CCC[C@H](C)C2)cc1 58374119 IQKLZUHKBDFBHF-ZDUSSCGKSA-N 246.354 2.665 0 40 BFAB CC[C@@H]1CCCCN1Cc1nnc(C(C)C)o1 60372796 CMXUFZBESPVELM-LLVKDONJSA-N 237.347 2.958 0 40 BFAB N[C@@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 70501261 GJWFOQIKVTZEPM-NXEZZACHSA-N 215.300 2.548 0 40 BFAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(C)C 75133096 PDCOJCLYVDUVNV-LBPRGKRZSA-N 221.348 2.582 0 40 BFAB C[C@@H](N[C@@H](CO)CC(C)(C)C)c1ccco1 90589720 OVAQNMWILPNUDC-GHMZBOCLSA-N 225.332 2.727 0 40 BFAB CCCNCc1ccc(C)c(C)c1OC 95094876 QPVAJVGGRDMRSY-UHFFFAOYSA-N 207.317 2.812 0 40 BFAB CC1=CCC[C@H](C)[C@@H]1CNCCc1ccnn1C 97098985 GAOILOQZFVCFBT-DZGCQCFKSA-N 247.386 2.545 0 40 BFAB COCC(=O)N1CCC[C@H](C)c2ccccc21 97111699 OVKZRXHPDQMQKG-NSHDSACASA-N 233.311 2.563 0 40 BFAB C[C@@]12CC3(CN)CC(CCN)(C1)C[C@@](C)(C3)C2 100097851 QYAAPDQUHMGQBK-HESLUPGFSA-N 236.403 2.661 0 40 BFAB CC(=O)N[C@]1(C)CC[C@@H]2C[C@@H]1C(C)=NC2(C)C 101468006 AKRBICRIVVVNDO-YRGRVCCFSA-N 236.359 2.551 0 40 BFAB S=C(Nc1cccnc1)N[C@@H]1C[C@@H]2CC[C@@H]1C2 102495165 ONMQNDJMGPVZQX-CKYFFXLPSA-N 247.367 2.557 0 40 BFAB O=C(O)c1ccc([C@H](F)C(F)(F)F)cc1 107267392 OJLVEFOHMZIUPI-ZETCQYMHSA-N 222.137 2.958 0 40 BFAB Cc1cc(Cl)ccc1CNCCn1ccnc1 128727873 CIALSWAVHJIPCX-UHFFFAOYSA-N 249.745 2.635 0 40 BFAB CC(C)(C)OC(=O)N[C@H]1C[C@H]1c1ccc(N)cc1 166374103 SUYAPBUIUDTGLR-RYUDHWBXSA-N 248.326 2.649 0 40 BFAB CCCOc1ccc(CN[C@H]2CCOC2)c(C)c1 188793352 AKLRCTOJPBKCDJ-AWEZNQCLSA-N 249.354 2.662 0 40 BFAB Cc1ccccc1[S@@](=O)CCCOC(C)C 195579586 KHXIXLXWYMYXAC-INIZCTEOSA-N 240.368 2.918 0 40 BFAB CN(C)C(=O)c1ccc(C[Si](C)(C)C)cc1 196150710 MKVKWKIBFSRXPE-UHFFFAOYSA-N 235.403 2.808 0 40 BFAB Cc1cc(F)ccc1N[C@@H]1CCCC[C@H]1N 218865211 KHKNZEWZURDMPX-DGCLKSJQSA-N 222.307 2.816 0 40 BFAB Cc1ccccc1[C@@H](CN)N1CCC[C@@H](C)C1 219809546 WDJXNZUPDHCAGE-IUODEOHRSA-N 232.371 2.727 0 40 BFAB CCN(c1c(C)cc(C)cc1C)[C@@H](C)C(=O)O 225005817 RARYLBYGYBANHG-LBPRGKRZSA-N 235.327 2.911 0 40 BFAB COCCCSC[C@@H]1CCC(C)(C)O1 225436942 XUHGYJQZNFMTEB-JTQLQIEISA-N 218.362 2.714 0 40 BFAB Cc1nc2cc(Cl)c(C(=O)O)cc2nc1C 225732060 BNFJJVGEIKQRCC-UHFFFAOYSA-N 236.658 2.598 0 40 BFAB CCOc1ccc(CNc2cnn(C)c2C)cc1 256052896 PCEYWFRFEOVLIS-UHFFFAOYSA-N 245.326 2.739 0 40 BFAB Cc1nccc(NC2CCC(F)(F)CC2)n1 335600912 WOKDRKMXJKXAFV-UHFFFAOYSA-N 227.258 2.775 0 40 BFAB CCCSc1nnc(Cc2ccccc2)n1C 409102781 FDEGFCUBIYPGNS-UHFFFAOYSA-N 247.367 2.908 0 40 BFAB Cc1nccc(OCc2ccccc2C)n1 585651526 DZWKWBUNIDTKRT-UHFFFAOYSA-N 214.268 2.672 0 40 BFAB Cc1cc(CN(C)c2ccccc2C)ncn1 622764645 WAQCIRBYHMLLOL-UHFFFAOYSA-N 227.311 2.730 0 40 BFAB Cc1c(F)cccc1[C@@H](O)C(F)(F)F 1536124930 MCTSMZGLNINKTO-MRVPVSSYSA-N 208.154 2.730 0 40 BFAB Cc1ccc([C@@]2(O)C[C@H](C)N(C)C[C@@H]2C)c(C)c1 51423 BNPBCKRXUQEEPS-OFQRWUPVSA-N 247.382 2.851 0 40 BFAB Cc1cccc(C(=O)N2CCC[C@@H](C)C2)c1 304770 SRHJVQDFOIXHFI-GFCCVEGCSA-N 217.312 2.867 0 40 BFAB c1ccc(CNC2=NCCCCC2)cc1 493114 DKKOGBSTGPXBRI-UHFFFAOYSA-N 202.301 2.749 0 40 BFAB CC1(C)CNC=C(c2ccccc2)CC1=O 1512858 KEPWWVMOGLFIPK-UHFFFAOYSA-N 215.296 2.616 0 40 BFAB COc1ccc(OCC(=O)C(C)(C)C)cc1 1556248 GUKJNWZZYFEWDH-UHFFFAOYSA-N 222.284 2.689 0 40 BFAB O=C(c1ccccc1)[C@@H]1Nc2ccccc2CO1 1592867 CFUWUAUHXZIICW-OAHLLOKOSA-N 239.274 2.838 0 40 BFAB Cc1cc(C(=O)Nc2cnn(C)c2C)sc1C 2730958 FHQOPBAEKQAMJY-UHFFFAOYSA-N 249.339 2.659 0 40 BFAB O=C(O)CCSc1ccccc1Cl 3263913 NYUNDDKGPQCWPL-UHFFFAOYSA-N 216.689 2.907 0 40 BFAB in-vitro Cc1cccc(NC(=O)CN2CCC(C)CC2)c1 3538685 TWAAEQMZKFDTCF-UHFFFAOYSA-N 246.354 2.665 0 40 BFAB CC(C)C(=O)Nc1nc(-c2ccccc2)ns1 4281865 BFUDICCSMDKIHZ-UHFFFAOYSA-N 247.323 2.800 0 40 BFAB CCOC(=O)[C@H]1[C@@H]2C=C3CCc4cccc(c43)[C@@H]21 4532624 LWENPOAPZKOYQS-SNPRPXQTSA-N 240.302 2.923 0 40 BFAB CCCCC(=O)Nc1cccc([C@@H](C)O)c1 4666474 AYZWRABPAUXPRO-SNVBAGLBSA-N 221.300 2.869 0 40 BFAB CCCNCc1ccc(OC)c(OCC)c1 7262367 FEMAEJCFIGYBPR-UHFFFAOYSA-N 223.316 2.594 0 40 BFAB O=C(C[C@@H]1C=CCC1)Nc1cccc2cn[nH]c12 12883429 FQFODPSBQDVPES-SNVBAGLBSA-N 241.294 2.858 0 40 BFAB CCCNC(=O)[C@H](CC)Oc1cc(C)ccc1C 20111934 ONQXPDKYPANXDX-ZDUSSCGKSA-N 249.354 2.987 0 40 BFAB N=C(N)c1cccc(OC2CCCCC2)c1 20210440 DMHVNEIRYIYCHO-UHFFFAOYSA-N 218.300 2.682 0 40 BFAB in-vitro CCCNC(=O)[C@@H](C)Nc1ccc(C)cc1C 20312774 MZYLPIFTFAWFCJ-GFCCVEGCSA-N 234.343 2.630 0 40 BFAB CCN(Cc1ccccc1)c1ncccc1N 20317307 MXRIQTBJSRKZCQ-UHFFFAOYSA-N 227.311 2.690 0 40 BFAB CCCNC(=O)[C@@H](CC)Oc1ccc(F)cc1 20457345 DAKACIWPDIAPSL-GFCCVEGCSA-N 239.290 2.509 0 40 BFAB CCCCOC(=O)C(CC)C(=O)OCCCC 32137179 IYHANSLELCOANS-UHFFFAOYSA-N 244.331 2.699 0 40 BFAB O=C(O)CCCCCOCc1ccccc1 34217600 IILIIPOEUNIPFG-UHFFFAOYSA-N 222.284 2.848 0 40 BFAB COc1c(Cl)nc(SC)nc1Cl 34426488 OARJVJCNEZWMCZ-UHFFFAOYSA-N 225.100 2.514 0 40 BFAB CCCNC(=O)[C@@H](CC)Oc1ccccc1C 38757247 BVEYAMGGSVIDFA-GFCCVEGCSA-N 235.327 2.679 0 40 BFAB Cc1cccc(C(=O)c2ccc(O)cc2)c1 41226232 SONRRMLXSPQLND-UHFFFAOYSA-N 212.248 2.932 0 40 BFAB C[C@@H]1CCCC[C@H]1NC(=O)CC(F)(F)F 43070927 WHJAJWGWXYOJFY-HTQZYQBOSA-N 223.238 2.634 0 40 BFAB Cc1cccc(C(=O)C[C@H](C)CC(=O)O)c1C 43214293 GFSARUVAIABOEI-VIFPVBQESA-N 234.295 2.987 0 40 BFAB Nc1ncc(Cl)c(Cl)c1Br 71255976 MZFWOSBWGZFUNL-UHFFFAOYSA-N 241.903 2.733 0 40 BFAB Cc1ccccc1[C@@H]1C[C@@H](C)N(CCCO)C1 71915687 ZTKHETCXUQMXMG-ZIAGYGMSSA-N 233.355 2.555 0 40 BFAB CCCN1CCC[C@@H]1c1ccc(NC)nc1C 72219101 OROIEMVNIFUPNQ-CYBMUJFWSA-N 233.359 2.979 0 40 BFAB NC[C@@H](CCc1ccccc1)C(F)(F)F 74111279 BYUMCMFSVNJSBK-SNVBAGLBSA-N 217.234 2.756 0 40 BFAB O=C1Nc2ccccc2Oc2c(O)cccc21 77293643 UGUUPUTWIBQGDO-UHFFFAOYSA-N 227.219 2.750 0 40 BFAB in-vitro CCc1nc([C@H]2CCCN2CC2CCCC2)no1 78724151 QTWIBTHQXIZDLW-GFCCVEGCSA-N 249.358 2.959 0 40 BFAB CC[C@@H](c1ccccc1)N(C)C(=O)[C@@H](N)C(C)C 79418735 OIELLIGGYXPQHX-KBPBESRZSA-N 248.370 2.579 0 40 BFAB C(=C/c1ccccc1)\CCNCC1CCNCC1 79438607 BITLTPREVWAFDO-XBXARRHUSA-N 244.382 2.679 0 40 BFAB C[C@](O)(C(=O)OC1CCCCC1)c1ccccc1 87493321 CBZGVBIGERLUJG-OAHLLOKOSA-N 248.322 2.770 0 40 BFAB C[C@@H](O)C[C@@H]1CCCN1CCCc1ccccc1 89895289 XBVFRGAFHZFZRO-ZBFHGGJFSA-N 247.382 2.855 0 40 BFAB COc1ccc(C(=O)c2sccc2OC)cc1 90531498 BTUPEJTUQDUUKB-UHFFFAOYSA-N 248.303 2.996 0 40 BFAB N[C@@H](CSC(F)(F)F)c1ccccc1 95918472 NIDIJNJCPOLYDZ-QMMMGPOBSA-N 221.247 2.939 0 40 BFAB CC[C@H]1CCCC[C@H]1OC(=O)CCCOC 97364038 FDPYPCWSEVDKEM-NWDGAFQWSA-N 228.332 2.925 0 40 BFAB CCOc1ccccc1/C(C)=C/[N+](=O)[O-] 98063818 ORMRKDPAGNMHDU-CMDGGOBGSA-N 207.229 2.723 0 40 BFAB C/C=C/[C@H]1OC[C@@]2(CO)[C@@H](C)C=C(C)[C@H]1[C@@H]2C 105365126 RQCLRCULEFIVSO-SQPJARPMSA-N 236.355 2.788 0 40 BFAB biogenic CS[C@@H]1CCC[C@H]1N(C)Cc1ccncc1 110642626 YXXAIBOGHXAHKN-CHWSQXEVSA-N 236.384 2.798 0 40 BFAB CCCn1cc(CNc2cnn(CCC)c2)cn1 157446293 RSKPSTOTCMSZPK-UHFFFAOYSA-N 247.346 2.512 0 40 BFAB CS[C@H]1CCN(C(=O)Nc2ccccc2)C1 206690297 IMYJZXHGTTTZNA-NSHDSACASA-N 236.340 2.656 0 40 BFAB Cc1ccc(Cl)c2c(NCCN)ccnc12 222680007 UDPLWMREJWLJFF-UHFFFAOYSA-N 235.718 2.567 0 40 BFAB CN(CCSC(C)(C)C)C[C@@H]1CCCO1 252492004 MAWDGIWDAALQFN-NSHDSACASA-N 231.405 2.629 0 40 BFAB CCCn1nc(C)cc1CNCc1ccccc1 256049658 AVCBZFZPTZHUDQ-UHFFFAOYSA-N 243.354 2.891 0 40 BFAB Cc1cc(Cl)ccc1N(C)[C@H](C)C(=O)O 260677432 DQKSVGILKYQKGG-MRVPVSSYSA-N 227.691 2.558 0 40 BFAB CC(=O)OCC(=O)c1cccc(C(C)C)c1 382677030 WPNAVFQTQLOJDD-UHFFFAOYSA-N 220.268 2.556 0 40 BFAB CS(C)(=O)=Nc1ccccc1Cl 521400804 BURGALYOPXQQCY-UHFFFAOYSA-N 203.694 2.699 0 40 BFAB CC(=O)c1ccc(Oc2ccncc2C#N)cc1 547500967 NSRHUIOXRCFVTP-UHFFFAOYSA-N 238.246 2.948 0 40 BFAB Clc1cccnc1OC[C@@H]1CCCOC1 585655015 QRYZCLHEJGGZIN-SECBINFHSA-N 227.691 2.540 0 40 BFAB Oc1ccc(Cl)c(CN2CC[C@@H]2C(F)F)c1 931429297 XEKGMBIZYVBARH-SNVBAGLBSA-N 247.672 2.885 0 40 BFAB Cc1cc(C)c(Nc2nnns2)c(C)c1 515497 OUTXHMNRAACFTM-UHFFFAOYSA-N 220.301 2.602 0 40 BFAB Oc1ccc([C@H]2C[C@H](O)c3ccccc3O2)cc1 1594160 VIWWLMUBPMSXTF-DZGCQCFKSA-N 242.274 2.949 0 40 BFAB Oc1cc(-[n+]2ccccc2)c(O)c2ccccc12 1595185 KXXBBLNNAICBCB-UHFFFAOYSA-O 238.266 2.528 0 40 BFAB C[C@@H]1CC=CC[C@@H]1C1OCC(C)(C)CO1 1615280 GEVSVFAZIUJFHZ-MNOVXSKESA-N 210.317 2.988 0 40 BFAB CCC[C@H](C(=O)OCC)[C@@H](C)OC(=O)OCC 1684885 TWARFOBPXLKSSL-ZJUUUORDSA-N 246.303 2.527 0 40 BFAB CCCOC(=O)COc1ccc(Cl)cc1 1733071 SINWACLWELJBSG-UHFFFAOYSA-N 228.675 2.672 0 40 BFAB CC(C)OC(=S)S[C@@H]1CCCCC1=O 1743826 ZNJQQCUOZNPDSK-SECBINFHSA-N 232.370 2.941 0 40 BFAB O=C1O[C@H](c2ccccc2)O[C@H]1c1ccccc1 3844109 ZETHIMXJYSHLHZ-DZGCQCFKSA-N 240.258 3.000 0 40 BFAB biogenic O=C(c1cc2ccccc2cc1O)N1CCCC1 4761614 MVVCPEOQKNHPJR-UHFFFAOYSA-N 241.290 2.781 0 40 BFAB CC1CCN(Cc2nc3ccccc3n2C)CC1 4910960 GDRSGLYDXYHEGX-UHFFFAOYSA-N 243.354 2.805 0 40 BFAB CCOc1ccccc1C(=O)N1CCC[C@H](C)C1 5475989 OWWPOXILFVPGBZ-LBPRGKRZSA-N 247.338 2.957 0 40 BFAB C[C@H](NC(=O)OC(C)(C)C)c1ccccc1N 6732189 AGRYXJXORFJLEB-VIFPVBQESA-N 236.315 2.855 0 40 BFAB CCS(=O)(=O)/C=C\c1ccc2ccccc2n1 8642276 WCIZQXFQVGQLRN-KTKRTIGZSA-N 247.319 2.640 0 40 BFAB COc1ccc(-n2c(C)ccc2C=O)cc1 9261675 DAALIUNWQOKDIJ-UHFFFAOYSA-N 215.252 2.607 0 40 BFAB Cc1ccccc1NC(=O)CNC1CCCCC1 20035714 JMZDECOCMOIGGP-UHFFFAOYSA-N 246.354 2.856 0 40 BFAB N[C@@H](CN1CCCCCCC1)c1ccccc1 20265764 FITLIWPVQYVWFL-HNNXBMFYSA-N 232.371 2.953 0 40 BFAB Cc1ccc(C(=O)N2CCCC[C@@H]2C)cc1N 21957396 ISQZYZHJHROFNQ-NSHDSACASA-N 232.327 2.592 0 40 BFAB C[C@@H](NC(=O)C[C@@H]1C=CCC1)c1ccncc1 27406077 IHNZUSOBQPPTOA-VXGBXAGGSA-N 230.311 2.615 0 40 BFAB CC(C)CC(=O)N[C@@H](C)c1ccc2c(c1)OCO2 28305251 PWOAIUSDQIMNNB-JTQLQIEISA-N 249.310 2.639 0 40 BFAB N[C@@H]1CC1(c1ccccc1)c1ccccc1 29046422 WVRNJJILWVMIRA-CQSZACIVSA-N 209.292 2.704 0 40 BFAB CCOC(=O)/C=C1/CCCc2occc21 29763259 CYUKMZHHWKFKQB-HJWRWDBZSA-N 206.241 2.562 0 40 BFAB CN(Cc1cccs1)C(=O)c1ccccc1O 31345529 BDORNHVGIHYEJS-UHFFFAOYSA-N 247.319 2.726 0 40 BFAB Cc1cccc(NC(=O)Cc2ccsc2)n1 32721906 MMCDZRMWPHPPKP-UHFFFAOYSA-N 232.308 2.633 0 40 BFAB O=C(c1ccc2c(c1)CCCC2)N1CCCC1 32740547 LSKVWYNUWVJWQO-UHFFFAOYSA-N 229.323 2.801 0 40 BFAB Cc1ccccc1CN(C)C(=O)c1ccoc1 32841534 FQTNPRJDOXXIHN-UHFFFAOYSA-N 229.279 2.860 0 40 BFAB Cc1ccc(-c2ocnc2C(=O)NC2CC2)s1 33049122 ZRKAATKHRWKZOF-UHFFFAOYSA-N 248.307 2.604 0 40 BFAB CC(=O)C[C@H](C)COCc1ccccc1 34285853 QLZBVXVWBFBTQE-NSHDSACASA-N 206.285 2.818 0 40 BFAB CC(C)(C)OC(=O)c1c(N)sc2c1CCC2 34639058 OMFVRGPHQLADHO-UHFFFAOYSA-N 239.340 2.774 0 40 BFAB CC(C)Oc1ccc(CNC(=O)C2CC2)cc1 36559435 YLCDVKQHYPYVFF-UHFFFAOYSA-N 233.311 2.500 0 40 BFAB CCCN(C)CCOc1ccccc1C 40119895 UKLKNIJQDXXYLO-UHFFFAOYSA-N 207.317 2.716 0 40 BFAB COC(=O)c1ccoc1CSc1ccccn1 40487884 VXFRUFFXLCXGKM-UHFFFAOYSA-N 249.291 2.754 0 40 BFAB CCc1ccc(C(=O)N(C)[C@@H](C)C2CC2)o1 40511022 PJUYKLRQCIIKQN-VIFPVBQESA-N 221.300 2.713 0 40 BFAB COc1ccc(-c2cc(C(=O)O)c(C)[nH]2)cc1 41256964 YBGYCFKTAQSUDU-UHFFFAOYSA-N 231.251 2.697 0 40 BFAB Clc1c[nH]c2nc(Br)ccc12 44712809 JSXYRZQDDWATNS-UHFFFAOYSA-N 231.480 2.979 0 40 BFAB NC1CCC(NCc2ccc(Cl)cc2)CC1 51693525 TXBKFSNPSGKDIW-UHFFFAOYSA-N 238.762 2.700 0 40 BFAB CCONC(=O)CC12CC3CC(CC(C3)C1)C2 70273344 AVSBWORHWXPDFW-UHFFFAOYSA-N 237.343 2.661 0 40 BFAB Cc1cc(C(=O)O)cnc1Nc1ccccc1 72222270 IUYSAXCKOWFIMM-UHFFFAOYSA-N 228.251 2.832 0 40 BFAB O=C(OCCC1CC1)c1ccncc1Cl 73868448 KOSHBNOFFFBIHI-UHFFFAOYSA-N 225.675 2.692 0 40 BFAB O=C(O)c1cc2c(Cl)cccc2cn1 74178423 UGCMAPNGYVWPGW-UHFFFAOYSA-N 207.616 2.586 0 40 BFAB COc1cc([C@@H](O)C(F)(F)F)ccc1Cl 86698897 YZOVPLIZIHVXNP-MRVPVSSYSA-N 240.608 2.944 0 40 BFAB CCCOc1c(C)cc(C(=O)OC)cc1C 95095315 RPYUEPHUDPMNLG-UHFFFAOYSA-N 222.284 2.879 0 40 BFAB C[C@H]1C[C@H]1C(=O)Nc1ccc2ccccc2n1 95955600 CHEMJPMPBZQVFY-GXSJLCMTSA-N 226.279 2.829 0 40 BFAB C[C@@H](CCCCN(C)C)NCc1ccccc1 96006890 ALOPWJJEUXZWQD-AWEZNQCLSA-N 234.387 2.897 0 40 BFAB Cc1cc(NC(=O)CCc2ccco2)sn1 96449170 SLVSTKNWHOJGDL-UHFFFAOYSA-N 236.296 2.616 0 40 BFAB O=C(CC(=O)C(F)F)c1ccc(Cl)cc1 100497222 NVMGOZSUUFWNLY-UHFFFAOYSA-N 232.613 2.747 0 40 BFAB O=C(Nc1ccc(Cl)cn1)[C@@H]1C[C@H]2C=C[C@H]1C2 102226632 YFUWADPHQRMUEU-ATZCPNFKSA-N 248.713 2.886 0 40 BFAB CCN[C@@H](C)C(=O)c1cccc(Cl)c1 169332711 ZMJIUWPWADQNLC-QMMMGPOBSA-N 211.692 2.521 0 40 BFAB in-vitro N[C@H]1CCCC[C@@H]1Nc1cc(F)cc(F)c1 218866477 YUKCVQVPWIHNDE-RYUDHWBXSA-N 226.270 2.647 0 40 BFAB COc1ccc(/C=C/C(=O)N[C@H](C)C(C)C)cc1 225184576 TWOVPNZQDAXGTR-OFFHKIPUSA-N 247.338 2.869 0 40 BFAB Cc1ccc(C23CC(C(=O)O)(C2)C3)cc1 238530229 ACQJDUYIUBGAFJ-UHFFFAOYSA-N 202.253 2.501 0 40 BFAB C[S@](=N)(=O)Cc1ccccc1Br 1565504919 LSDYKTMANUARPD-LBPRGKRZSA-N 248.145 2.626 0 40 BFAB CC=C1C[C@@H]2CC[C@H](C1)N2c1ccnc(C)n1 1775995518 AUSRFHHETFZSQD-BETUJISGSA-N 229.327 2.863 0 40 BFAB CN(C)C(=S)Cc1ccc(Cl)cc1 101263 YBWXXVZHRLCKFI-UHFFFAOYSA-N 213.733 2.772 0 40 BFAB C[C@H]1CCO[C@H](c2coc3ccccc3c2=O)O1 482565 ADXCKCOKWMDXRE-XPTSAGLGSA-N 246.262 2.617 0 40 BFAB Cc1cc(C)cc(C(=O)NCC(C)C)c1 496667 ZZXHRMRERDWFLL-UHFFFAOYSA-N 205.301 2.689 0 40 BFAB CC1=Nn2c(nnc2-c2cccc(C)c2)SC1 524996 SPVTWAVCCVEFGN-UHFFFAOYSA-N 244.323 2.583 0 40 BFAB CC(C)C(=O)N1CCc2[nH]c3ccccc3c2C1 525897 YAVXCXOFYMZNSV-UHFFFAOYSA-N 242.322 2.709 0 40 BFAB biogenic O=C(Nc1ccc(Cl)cc1)c1ccc(=O)oc1 3186287 MJYYMJQGJSTSAY-UHFFFAOYSA-N 249.653 2.546 0 40 BFAB N=C(Cc1ccccc1)NCc1ccccc1 3628621 XRPNFHZMXJLYKS-UHFFFAOYSA-N 224.307 2.996 0 40 BFAB CC[C@H](C)NCC(=O)Nc1cccc(C)c1C 3887677 PGBFKDCLSYFTAW-NSHDSACASA-N 234.343 2.630 0 40 BFAB CC1(C)[C@H]2CC[C@]1(C)[C@](O)(c1ccccc1)C2=O 5119126 MGALRPPNRRTYLF-RCBQFDQVSA-N 244.334 2.899 0 40 BFAB O=C(Nc1ccccc1O)c1cc(F)ccc1F 9255575 QWKXFJWLUZICKU-UHFFFAOYSA-N 249.216 2.923 0 40 BFAB CC(C)(C)c1ccc([C@H]2CC(C(=O)O)=NO2)cc1 12398337 LLUPASSRPCMCLM-GFCCVEGCSA-N 247.294 2.886 0 40 BFAB O=C(Nc1ccncc1)c1cccc2cccnc12 12537659 DVXTVQPHFFWHSM-UHFFFAOYSA-N 249.273 2.882 0 40 BFAB O=C(c1csc2ccccc12)N1CCC1 12927472 IZSFZYDTAQIQRY-UHFFFAOYSA-N 217.293 2.747 0 40 BFAB Cc1n[nH]c(=S)c2cc3sccc3n12 13999073 RCDPSAMNSDWYFM-UHFFFAOYSA-N 221.310 2.915 0 40 BFAB C[C@H]1CCCC[C@H]1NCc1cccnc1 19945067 CMYZEKMXZWUVJA-WCQYABFASA-N 204.317 2.750 0 40 BFAB O=C(NC1(c2ccccc2)CCC1)C1CCC1 32843448 UNGXZDSJCWLOEB-UHFFFAOYSA-N 229.323 2.982 0 40 BFAB CC(C)c1nn(Cc2ccccc2)cc1C(=O)O 36894499 AMTMGEUTYTWBJC-UHFFFAOYSA-N 244.294 2.753 0 40 BFAB Cc1ccc2cc(Br)cnc2n1 39123987 RTTRTADHCPFEGO-UHFFFAOYSA-N 223.073 2.701 0 40 BFAB CCCC(=O)CC(=O)c1ccccc1C 42413612 PXHSIMBBCSENCC-UHFFFAOYSA-N 204.269 2.937 0 40 BFAB C[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1 46869516 FWHGDWXSBJWCQZ-CYBMUJFWSA-N 247.338 2.714 0 40 BFAB CNC[C@H]1C[C@@H]1c1ccc(OC(F)F)cc1 54588641 KDJYSCGVNIVTDG-MWLCHTKSSA-N 227.254 2.611 0 40 BFAB CNC[C@H]1C[C@@H]1c1c(F)cccc1Cl 54588709 HODOHRYFWUWNJY-SFYZADRCSA-N 213.683 2.802 0 40 BFAB FC(F)(F)Oc1ccc([C@H]2NCCS2)cc1 60095385 HHPRGKSEVFESNQ-VIFPVBQESA-N 249.257 2.920 0 40 BFAB CNc1ccc(NC(=O)c2ccco2)cc1 62796619 QSBKFJGWWCQYPP-UHFFFAOYSA-N 216.240 2.574 0 40 BFAB CC(=O)NC1(c2cccc(C)c2)CCCC1 66511712 RIDMNGKLHHRYMH-UHFFFAOYSA-N 217.312 2.900 0 40 BFAB Cc1ccc(SCc2nnnn2C2CC2)cc1 69415013 WGOUAFMVTXQTII-UHFFFAOYSA-N 246.339 2.609 0 40 BFAB Cc1nc(N2CCCCCC2)ccc1[C@@H](C)N 72224577 KRDZDGBIRLMSAU-LLVKDONJSA-N 233.359 2.790 0 40 BFAB O=C1CC(c2ccccc2Br)C1 72266320 BZFDEJVKRZVLKW-UHFFFAOYSA-N 225.085 2.896 0 40 BFAB Cc1ncccc1NC(=O)c1ccc(Cl)cn1 73347993 KWLAHZWNZBULOB-UHFFFAOYSA-N 247.685 2.691 0 40 BFAB CCCNCc1cc(C)ccc1OCC 82426866 CEWXUHQJNUAGIJ-UHFFFAOYSA-N 207.317 2.893 0 40 BFAB Cc1cc(OCC(C)C)ccc1CCO 83224054 PWLCZKMWGRVXHE-UHFFFAOYSA-N 208.301 2.565 0 40 BFAB Cc1cc(N)nc(NCc2ccccc2Cl)n1 95117405 IXSMDCJKCVSRAV-UHFFFAOYSA-N 248.717 2.633 0 40 BFAB O=C1CC2(CCCC2)C(=O)N1c1ccccc1 95215912 RWTGTSYAWVDYBT-UHFFFAOYSA-N 229.279 2.510 0 40 BFAB COc1ccc(OCc2ccccc2)cn1 95829904 VEMMJPSVCODKGD-UHFFFAOYSA-N 215.252 2.669 0 40 BFAB c1ccc2c(c1)ncn1nc(C3CCCC3)nc21 97105516 OZAGQGGUIVAYCY-UHFFFAOYSA-N 238.294 2.935 0 40 BFAB Cc1ccc(Br)c(C)c1C=O 108328540 GTAIJORGXRXVOP-UHFFFAOYSA-N 213.074 2.878 0 40 BFAB C[C@@H]1CCc2c(nn(C3CCCCC3)c2O)N1 110757657 ASNXPFHVNKFGLH-SECBINFHSA-N 235.331 2.841 0 40 BFAB O=C(O)c1cccc(Cc2cccc(F)c2)n1 205318328 OWDFWYDMMVAMJV-UHFFFAOYSA-N 231.226 2.510 0 40 BFAB COC(=O)[C@H]1C[C@H]1C(=O)c1ccc(C(C)C)cc1 217817961 YBRJPDJVOUJTEN-OLZOCXBDSA-N 246.306 2.802 0 40 BFAB CCCO[C@@H](Cc1ccccc1Cl)C(=O)O 225057543 OAURDKYNHIYGTD-NSHDSACASA-N 242.702 2.762 0 40 BFAB CCCc1cc(Cl)c2cnn(C)c2n1 225814539 NWEFGOBLXPGWMJ-UHFFFAOYSA-N 209.680 2.574 0 40 BFAB CCN(CC)C(=O)c1conc1-c1ccccc1 225871803 XUKDPQBZWRTHHA-UHFFFAOYSA-N 244.294 2.824 0 40 BFAB CC(=O)C1(C(=O)c2ccccc2Cl)CC1 257197659 FXLOEHBFWFBUHI-UHFFFAOYSA-N 222.671 2.892 0 40 BFAB CCOc1cnc2c(C)cccc2c1C(=O)O 685936859 COYQXYZFMAQLGB-UHFFFAOYSA-N 231.251 2.640 0 40 BFAB O=Cc1cc2c(C(F)(F)F)cccc2nc1O 685938523 MUXYYGAKOHAYRB-UHFFFAOYSA-N 241.168 2.772 0 40 BFAB CN(C)C[C@]1(C)Cc2cc(Cl)sc2C1=O 1615689 IIILQVNRZWMLHM-NSHDSACASA-N 243.759 2.708 0 40 BFAB O=P(O)(O)Cc1c(Cl)cccc1Cl 2178963 CPPHQOFUDIOVLN-UHFFFAOYSA-N 241.010 2.671 0 40 BFAB Fc1ccc(-c2nnc3n2CCCCC3)cc1 3197258 TZCCGLAAJCPMNQ-UHFFFAOYSA-N 231.274 2.811 0 40 BFAB Clc1nc2cc3c(cc2s1)OCCO3 3866259 BUTRPUXKRPRXLK-UHFFFAOYSA-N 227.672 2.721 0 40 BFAB O=C(O)C[C@H](c1ccccc1F)n1cccc1 5766013 GHJWQKVBZZAKEQ-GFCCVEGCSA-N 233.242 2.691 0 40 BFAB Cc1ccoc1C(=O)NCc1ccc(F)cc1 8772006 OIQITZHJZPDGSG-UHFFFAOYSA-N 233.242 2.657 0 40 BFAB CC1CCN(C(=O)NCc2ccccc2)CC1 12851029 ACFQCOHGQYWPEA-UHFFFAOYSA-N 232.327 2.628 0 40 BFAB Clc1cccc(COC[C@H]2CCCNC2)c1 14631107 DGJOBUUOVVZXNO-LBPRGKRZSA-N 239.746 2.856 0 40 BFAB in-vitro Cc1cccc(C(=O)Nc2cccnc2)c1C 15436247 XHUXTNAWTWESLM-UHFFFAOYSA-N 226.279 2.951 0 40 BFAB Cc1c(N)cccc1NC(=O)c1ccccc1 19736261 UPBIVMVNDOALIE-UHFFFAOYSA-N 226.279 2.830 0 40 BFAB in-vitro Nc1ccc(Sc2cccs2)cn1 20078056 OUNHLGUTZLVSSK-UHFFFAOYSA-N 208.311 2.877 0 40 BFAB C1CCCC(NCCN2CCCC2)CCC1 20126749 VEEYILYZLVLAOT-UHFFFAOYSA-N 224.392 2.785 0 40 BFAB Fc1ccccc1CNc1ccncc1 21512110 HZLYXKJKSBQVKF-UHFFFAOYSA-N 202.232 2.833 0 40 BFAB in-vitro C[C@H](NC(=O)c1ccncc1)c1cccs1 21905693 BNGMQYQKCBFVDX-VIFPVBQESA-N 232.308 2.634 0 40 BFAB CN(C)CCN1CCC(Cc2ccccc2)CC1 22463308 NVZYWFPWKZIVMO-UHFFFAOYSA-N 246.398 2.503 0 40 BFAB in-man CC(C)N(CC(=O)O)Cc1ccc(Cl)cc1 32099985 OWDPXZYSNVUJOA-UHFFFAOYSA-N 241.718 2.635 0 40 BFAB O=c1[nH]c(-c2cccc(Cl)c2)cs1 34669822 JSSIKAYQGBLIBU-UHFFFAOYSA-N 211.673 2.757 0 40 BFAB in-vitro CN(Cc1ccco1)c1ccccc1C(=O)O 35716197 HHTKAJYLLQQPNA-UHFFFAOYSA-N 231.251 2.614 0 40 BFAB in-vitro CCCOc1c(OCC)cccc1C(=O)O 36672399 YOCRACUEGTUCFD-UHFFFAOYSA-N 224.256 2.572 0 40 BFAB CC(C)Cn1ccc2c(C(=O)O)cccc21 37244858 GLMPHWJHKVSQNE-UHFFFAOYSA-N 217.268 2.996 0 40 BFAB in-vitro OC1CC(c2cccc(Br)c2)C1 37461719 XCVHFKDHMYRYPE-UHFFFAOYSA-N 227.101 2.687 0 40 BFAB OCc1ccc(-c2c(F)cccc2F)o1 37715695 HDTFZCJHGNHNMY-UHFFFAOYSA-N 210.179 2.717 0 40 BFAB CCOc1ccc([C@@H]2N=C(O)CS2)cc1 39299086 WXYBSYQAMHXTCK-LLVKDONJSA-N 223.297 2.787 0 40 BFAB Cc1cccc(NC(=O)C[C@@H]2C=CCC2)n1 40472890 ATWQFAYYZICDIK-LLVKDONJSA-N 216.284 2.685 0 40 BFAB CCC(=O)N1C[C@@H](c2ccccc2)OCC1(C)C 41174396 LWILGNIHNFUVRJ-ZDUSSCGKSA-N 247.338 2.775 0 40 BFAB CCOC(=O)[C@H](C)SC1CCCC1 41391367 NNKIDVVNZRMIHF-QMMMGPOBSA-N 202.319 2.614 0 40 BFAB Cc1cccc(C(=O)NCCCOC(C)C)c1 42236339 FJDMKLOIGLIUNQ-UHFFFAOYSA-N 235.327 2.540 0 40 BFAB CC[C@H](C)CNCCOc1ccccc1 42895158 XSBCKVRZUMCPEN-LBPRGKRZSA-N 207.317 2.701 0 40 BFAB COCCS[C@H](CN)c1ccc(Cl)cc1 42950937 ZZDDHKPNZNHQLZ-LLVKDONJSA-N 245.775 2.719 0 40 BFAB CC[C@H]1CCCCN1C(=O)Nc1ccccn1 48347387 NFNHRRUOEZVEIC-NSHDSACASA-N 233.315 2.878 0 40 BFAB C[C@@H](O)[C@@H]1C[C@@H]1c1ccccc1Br 62713975 MRTRCQFYDZXKHK-FKTZTGRPSA-N 241.128 2.933 0 40 BFAB COc1ccccc1-c1nnc2n1CCCCC2 75322046 FFZVLCUDYKMULK-UHFFFAOYSA-N 243.310 2.680 0 40 BFAB CC(C)(C)Oc1ccc([C@H]2CCNC2)cc1 82597905 JHMGAVWKBSWYMM-LBPRGKRZSA-N 219.328 2.941 0 40 BFAB in-vitro COc1ccccc1[C@H](O)c1ccc(C)o1 82675845 OZVQBCQBGGUCBP-ZDUSSCGKSA-N 218.252 2.678 0 40 BFAB CCC(=O)c1cnn(Cc2ccc(OC)cc2)c1 83428590 SZQSVMYOECVAEX-UHFFFAOYSA-N 244.294 2.533 0 40 BFAB Cc1csc(N(C(=O)[C@@H]2C[C@H]2C)C2CC2)n1 89705682 PYSKWZIICCLNKU-GMSGAONNSA-N 236.340 2.603 0 40 BFAB CCOC(=O)c1coc(-c2ccccc2OC)n1 90470921 JTRQRTBFGRRCJS-UHFFFAOYSA-N 247.250 2.527 0 40 BFAB COC(=O)C[C@H](C)CC(=O)c1ccc(F)cc1 95728739 JULGJUBDLVCIHG-SECBINFHSA-N 238.258 2.598 0 40 BFAB CCn1c(O)c(C(C)=O)c2cc(C)ccc21 96026249 WEDIAAXCCASNPB-UHFFFAOYSA-N 217.268 2.878 0 40 BFAB Cc1ccccc1CCNCc1c(C)n[nH]c1C 97159250 SMCYKJNJLLUDEY-UHFFFAOYSA-N 243.354 2.667 0 40 BFAB Cc1cccc(C(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)c1 100404107 NLCGWYVJECREQR-BZPMIXESSA-N 229.323 2.913 0 40 BFAB CC(C)CCO[C@@H](C)C(=O)N1CCC[C@@H](C)C1 121856291 QRGJPVQBQIJIBQ-OLZOCXBDSA-N 241.375 2.696 0 40 BFAB Cc1oncc1CSc1ccncc1 126298623 BGEQNOXAMMMMTI-UHFFFAOYSA-N 206.270 2.670 0 40 BFAB O=C(OCCCC(F)(F)F)c1cscn1 157540415 JJWKFNVOVHMRDO-UHFFFAOYSA-N 239.218 2.642 0 40 BFAB CC(C)(O)C[C@](O)(c1ccccc1)C(F)(F)F 199402086 VONDDSLZFPWLBC-NSHDSACASA-N 248.244 2.598 0 40 BFAB O=Cc1nc(-c2ccccc2)c2ccccn12 225745042 AACIUVIXUXCQEO-UHFFFAOYSA-N 222.247 2.814 0 40 BFAB Cc1nc([C@H]2CCCCN2)c2sccn12 257308462 TWUPKKGQBFKBBN-SECBINFHSA-N 221.329 2.519 0 40 BFAB CCC(CC)CN[C@@H]1CSC1(C)C 308247578 XUUHBRNXOYUXMI-SNVBAGLBSA-N 201.379 2.906 0 40 BFAB Cc1c(-c2cccc(N)c2)nc2ccccn12 409428859 PHPBQAAZAISRAL-UHFFFAOYSA-N 223.279 2.892 0 40 BFAB CC(C)c1ccc(N[C@H]2CC[C@H]2O)cc1 585299012 ZHMMKSMECCOPJH-QWHCGFSZSA-N 205.301 2.745 0 40 BFAB Cc1cccnc1O[C@@H](C)c1cccnc1 585654156 DQGIGDJLCOKNSG-NSHDSACASA-N 214.268 2.925 0 40 BFAB CC(C)Oc1nc2ccc(F)cc2cc1N 685937757 ZSFKCNMGDYCRCV-UHFFFAOYSA-N 220.247 2.743 0 40 BFAB Cc1n(-c2ccccc2)c2ccccc2[n+]1[O-] 1556744 AXFQKEWZNVDKNO-UHFFFAOYSA-N 224.263 2.572 0 40 BFAB Cc1c2c([n+](C)c3ccccc13)CCCC2 1842149 BYIHROTXFLDONA-UHFFFAOYSA-N 212.316 2.852 0 40 BFAB CC1=C(C(=O)Nc2ccccc2)OCCS1 2513914 OOIDFJFYUCFPCH-UHFFFAOYSA-N 235.308 2.620 0 40 BFAB c1ccc(C2=NCCN2c2ccccc2)cc1 3065277 GDEDNTAWALZMGR-UHFFFAOYSA-N 222.291 2.953 0 40 BFAB CC1(C)[C@H]2CC[C@@](C)(O)[C@H]3CC[C@](C)(O)[C@H]3[C@H]21 4104694 DWNPMJOWAWGIMM-XISXQVBMSA-N 238.371 2.581 0 40 BFAB biogenic,in-vitro Cc1cc(C)c(C)c(S[C@@H](C)C(N)=O)c1C 9377552 CBZZZKKEFFKJRY-NSHDSACASA-N 237.368 2.886 0 40 BFAB CN1CCCC[C@H]1C[C@@H](O)c1ccccc1 14695373 GOWRYACIDZSIHI-UONOGXRCSA-N 219.328 2.594 0 40 BFAB biogenic,in-vitro O=C(Nc1ccccc1CO)C1CCCCC1 16449802 KXTWMOJVFMDLCS-UHFFFAOYSA-N 233.311 2.698 0 40 BFAB N[C@@H](c1ccc(Cl)cc1)[C@H]1CCCO1 19414965 WHFDDFWZZVVGCH-MNOVXSKESA-N 211.692 2.519 0 40 BFAB Fc1cccc(F)c1CNC1CCCC1 19883328 CMZLQSQTPIUGND-UHFFFAOYSA-N 211.255 2.997 0 40 BFAB in-vitro CCc1ccc(N(CC)CCC(=O)O)cc1 20133806 BXPHFZWIYMPZGI-UHFFFAOYSA-N 221.300 2.550 0 40 BFAB CC(C)(C)[C@H]1CCCC[C@H]1NCCCO 20187813 DLNQVQMDNGVXLU-NWDGAFQWSA-N 213.365 2.563 0 40 BFAB CCOc1ccccc1OCC[C@H]1CCCCN1 20221526 GBLPXLUSRPKNJR-CYBMUJFWSA-N 249.354 2.996 0 40 BFAB CC(C)Oc1ccc(-c2[nH]ncc2C(=O)O)cc1 20439673 BHMNGEMHPSWKIN-UHFFFAOYSA-N 246.266 2.562 0 40 BFAB c1cc(-c2nn3c(C4CC4)nnc3s2)cs1 20733555 SPOUIWZMTVPCRF-UHFFFAOYSA-N 248.336 2.792 0 40 BFAB COc1cc([C@H](C)N)ccc1OC(C)C 22173918 NRBXQSDGZCXNRK-VIFPVBQESA-N 209.289 2.502 0 40 BFAB CC1CCN(c2ncccc2Cl)CC1 32853405 BFUYUPFVRJUJLB-UHFFFAOYSA-N 210.708 2.971 0 40 BFAB Cc1ccc(C(=O)Nc2ccc(F)cc2)cn1 32895350 UJCATKQYYWSMJP-UHFFFAOYSA-N 230.242 2.781 0 40 BFAB Cc1cc2c(c(C)c1Cl)C(=O)CCO2 34076845 WFQICTIKWLRLCH-UHFFFAOYSA-N 210.660 2.922 0 40 BFAB in-vitro Cc1cc(C)nc(NCc2cccs2)n1 35206300 PTZVMYCFEBHERO-UHFFFAOYSA-N 219.313 2.767 0 40 BFAB Fc1ccc(Cc2nccc(Cl)n2)cc1 36882195 NTFIMPRHGOVUPP-UHFFFAOYSA-N 222.650 2.860 0 40 BFAB Cc1cc(Cl)nc(NC(=O)c2ccccc2)n1 38478051 QVIQLGYOBORBQR-UHFFFAOYSA-N 247.685 2.691 0 40 BFAB O=C(O)CCc1cc(F)cc(C(F)(F)F)c1 38529613 YMWFPANNQODRFT-UHFFFAOYSA-N 236.164 2.862 0 40 BFAB COc1ccc(-c2cnc(C(=O)O)s2)cc1 45206031 WXYYEZUGJRCOPY-UHFFFAOYSA-N 235.264 2.517 0 40 BFAB c1cc2c3c(ccc(-n4cnnc4)c3c1)CC2 45958406 XFSLKKOUAQBYQS-UHFFFAOYSA-N 221.263 2.519 0 40 BFAB Cc1ccccc1Oc1ccnc(CN)c1 51547999 HUUGTQYBMZXOAG-UHFFFAOYSA-N 214.268 2.641 0 40 BFAB O=C(CC1CCOCC1)c1ccccc1 53765116 NRPWUDNMAYNCCH-UHFFFAOYSA-N 204.269 2.686 0 40 BFAB in-vitro COc1ccc(Cn2c(C)cc(=O)cc2C)cc1 59488019 LFNIHLVYFUVUEH-UHFFFAOYSA-N 243.306 2.522 0 40 BFAB OCc1ccc(-c2cc(Cl)ccn2)cc1 71792142 FCCMSOIMHPTLAZ-UHFFFAOYSA-N 219.671 2.894 0 40 BFAB CCN1CCC[C@H]1c1cnc(NC)cc1C 72219032 LVICLNFOHBLGRX-LBPRGKRZSA-N 219.332 2.589 0 40 BFAB Cc1cc(C=O)cnc1N1CCc2ccccc21 72222888 ADTTUANFGVDIHQ-UHFFFAOYSA-N 238.290 2.897 0 40 BFAB CCOCC(F)(F)[C@@H](F)C(F)(F)F 78095177 KSLKXGGKQGTHDI-SCSAIBSYSA-N 210.117 2.559 0 40 BFAB Cc1noc(CCCNc2ccccc2C)n1 84244264 QDSUPZNIHNEEID-UHFFFAOYSA-N 231.299 2.731 0 40 BFAB COC(=O)CC(C)(C)c1ccc(OC)cc1 85398500 SHAIAIAOCNHGGQ-UHFFFAOYSA-N 222.284 2.536 0 40 BFAB O=C(O)CCN1CCCC[C@@H]1Cc1ccccc1 95397879 CUQUKODVZFIOCW-CQSZACIVSA-N 247.338 2.558 0 40 BFAB Fc1ccc(CN[C@@H]2CCCc3c[nH]nc32)cc1 95967399 KFXRDPOQZPMULW-CYBMUJFWSA-N 245.301 2.716 0 40 BFAB CC1CCC(CNC[C@@H](C)C[C@H](C)O)CC1 95978509 ULFXDZSTINBTEH-QPPOZKHWSA-N 227.392 2.809 0 40 BFAB Brc1cccc2c1C1(CC1)CN2 96028806 YSJAOQKFRFLJOO-UHFFFAOYSA-N 224.101 2.906 0 40 BFAB CO/C=C(\F)C(=O)Nc1ccccc1Cl 96171755 UIQMFFMTWFZEEM-VURMDHGXSA-N 229.638 2.736 0 40 BFAB CC(C)[C@H]1CCCCN1CCCCCO 96409698 CYWSQEXBJCMLJV-CYBMUJFWSA-N 213.365 2.660 0 40 BFAB CCCCOc1csc(C(=O)OC)c1 96511064 FQABSKTWPVNTFZ-UHFFFAOYSA-N 214.286 2.714 0 40 BFAB COCC(=O)N[C@@H](CC1CCC1)c1ccccc1 97047105 QLYOAUMGPWRKJG-AWEZNQCLSA-N 247.338 2.681 0 40 BFAB Cc1nnc(CN[C@H](C)[C@H](C)c2ccccc2)o1 97048996 CEHTXKRRXZRRJE-WDEREUQCSA-N 245.326 2.660 0 40 BFAB CC1(C)[C@H]2CC[C@@]1(C)C(=O)[C@@H]2C(=O)C(F)(F)F 100041415 ISLOIHOAZDSEAJ-CVJICSNFSA-N 248.244 2.759 0 40 BFAB FC1(F)[C@H]2[C@@H]3[C@@H]4C[C@@H]5[C@@H]3[C@H]2C(F)(F)[C@H]5[C@@H]41 100884495 GYFYKIHJGPVWNB-VJBRACPUSA-N 218.193 2.645 0 40 BFAB CCC(=O)Nc1ccc(C2(C(=O)O)CCC2)cc1 169676770 JWQWGPZERWVXLN-UHFFFAOYSA-N 247.294 2.541 0 40 BFAB Cc1cc(F)ccc1N[C@H]1CCCC[C@@H]1N 218865137 KHKNZEWZURDMPX-AAEUAGOBSA-N 222.307 2.816 0 40 BFAB C[C@@H](Oc1ccccc1Br)[C@H]1CO1 256050634 FXHLWDFKHHKYTJ-GMSGAONNSA-N 243.100 2.615 0 40 BFAB CCn1cc(C)c(NCc2cccc(O)c2)n1 256053954 UIFAHAYVRKMTCI-UHFFFAOYSA-N 231.299 2.529 0 40 BFAB Cc1c[nH]nc1C1CCN(C2CCCC2)CC1 257233105 GNVMODGMXDKHTD-UHFFFAOYSA-N 233.359 2.840 0 40 BFAB CCCCn1ccc(COCC(C)C)n1 408715398 MEHGYGRBWZKJNB-UHFFFAOYSA-N 210.321 2.856 0 40 BFAB C[C@H]1CCc2nnc(OCC(F)(F)F)cc2C1 585654664 KHNUGQHPBPOXLR-ZETCQYMHSA-N 246.232 2.543 0 40 BFAB CCC(=O)c1nc2ccccc2nc1CC 604941586 MZHPEBFRSGLPAV-UHFFFAOYSA-N 214.268 2.785 0 40 BFAB O=C1Oc2ccccc2Cc2ccccc21 347874 GGIOIQZXJHGLEB-UHFFFAOYSA-N 210.232 2.810 0 40 BFAB c1ccc(-c2cnnc3c4ccccc4nn23)cc1 1582784 XEGALTMZLRIKRY-UHFFFAOYSA-N 246.273 2.945 0 40 BFAB Oc1ccc(NCc2nc3ccccc3[nH]2)cc1 1689961 DSVPLVKBCWPGCD-UHFFFAOYSA-N 239.278 2.881 0 40 BFAB Cc1ccc(OCCc2csc(N)n2)cc1 2455982 ZTHKWCQRDBYRIB-UHFFFAOYSA-N 234.324 2.655 0 40 BFAB Cc1cccc(NC(=S)NC2CC2)c1C 2780957 JZWXJTNUKWCBLC-UHFFFAOYSA-N 220.341 2.752 0 40 BFAB COc1cc2nc(Cl)sc2cc1OC 3866481 VQLUSLHALUKRLE-UHFFFAOYSA-N 229.688 2.967 0 40 BFAB in-vitro Cc1cc(C)c(Nc2nc(C)cc(=O)[nH]2)c(C)c1 5625871 VCBJLNMIYVXJQV-UHFFFAOYSA-N 243.310 2.747 0 40 BFAB C[C@@H](NC(=O)c1ccco1)c1ccc(F)cc1 7304185 XULPCVZNQOJWGU-SECBINFHSA-N 233.242 2.910 0 40 BFAB C[C@H]1CCCCN1CCOc1ccccc1N 8703277 NPIXPYYYLUQCJL-LBPRGKRZSA-N 234.343 2.522 0 40 BFAB CCCc1c(C)[nH]c2ccc(OC)cc2c1=O 8740061 JSWGUNXDOYQJQZ-UHFFFAOYSA-N 231.295 2.798 0 40 BFAB biogenic C[C@@H]1CN(c2ccc(Cl)cc2N)C[C@@H](C)O1 20284877 VGTBDTRAZIEEKB-RKDXNWHRSA-N 240.734 2.536 0 40 BFAB Cc1ccc(C(=O)N2CCc3ccccc32)n1C 21278609 MUYGBXOOVOOZCJ-UHFFFAOYSA-N 240.306 2.536 0 40 BFAB COC(=O)c1csc(-c2ccccc2)n1 21988742 VGWOUTBYGICCLO-UHFFFAOYSA-N 219.265 2.597 0 40 BFAB Fc1ccc(-c2cc(Cl)ncn2)cc1 26420718 KYBYBOZNMFRRSF-UHFFFAOYSA-N 208.623 2.936 0 40 BFAB CC(C)C(=O)Nc1ccc2ccccc2n1 32731941 RATZHKHFXTZJNB-UHFFFAOYSA-N 214.268 2.829 0 40 BFAB CCOc1cccc(C(=O)O)c1OC(C)C 36986124 XEJWOVJZECKWBM-UHFFFAOYSA-N 224.256 2.571 0 40 BFAB O=C(O)CCc1sccc1Br 44471014 BKUHZTRYWRRUTA-UHFFFAOYSA-N 235.102 2.528 0 40 BFAB Cc1cc(NC(=O)CCCc2ccccc2)[nH]n1 48602754 LUYKEMFLFXHKEV-UHFFFAOYSA-N 243.310 2.680 0 40 BFAB c1c2c(cc3c1CCCNC3)CCCC2 57937805 AGNIBTUFUFQUGQ-UHFFFAOYSA-N 201.313 2.601 0 40 BFAB CC(C)Oc1ccc2c(c1)C(C)(C)C(=O)N2 59440971 PQNISEJDWVDVNK-UHFFFAOYSA-N 219.284 2.704 0 40 BFAB O=Cc1cc(-c2cccc(O)c2)cs1 65339964 BHFLQRPECXTCOD-UHFFFAOYSA-N 204.250 2.933 0 40 BFAB O[C@@H](c1ccoc1)c1cc(F)c(F)c(F)c1 68979238 SSUSAAPFOSUPHI-NSHDSACASA-N 228.169 2.779 0 40 BFAB CC(C)CNC(=O)c1ccc2c(c1)CCCC2 70243773 OJYAGOVVBFYPIE-UHFFFAOYSA-N 231.339 2.951 0 40 BFAB CCCNc1ncccc1[C@H]1CCCCN1C=O 72213167 SNEMOIBZYZCJBG-CYBMUJFWSA-N 247.342 2.587 0 40 BFAB CC[C@H](C)Nc1ccc(C2=NCCC2)cn1 72213468 LZHOCPNCBRFPIV-JTQLQIEISA-N 217.316 2.875 0 40 BFAB CC(=O)N1CCC[C@@H]1c1cnc(Cl)c(C)c1 72217774 LOAIWJJLQWTVRK-LLVKDONJSA-N 238.718 2.727 0 40 BFAB C[C@@H](N)c1ccc(N2CCc3ccccc32)nc1 72225813 GZLMVIBYJXKHRJ-LLVKDONJSA-N 239.322 2.796 0 40 BFAB Cc1cc2nc(N)oc2c(Br)c1C 73638085 SZIAPRDQBVCYHJ-UHFFFAOYSA-N 241.088 2.789 0 40 BFAB CC(C)Oc1ccc(-c2cn[nH]c2)cc1 85391825 ZAIXMJMXTHOENK-UHFFFAOYSA-N 202.257 2.864 0 40 BFAB O=C(C1CCCC1)N1CCC[C@H]2CCC[C@@H]21 89818008 CPAXREDCEZYJJO-YPMHNXCESA-N 221.344 2.968 0 40 BFAB CC(=O)NCCc1cc(Cl)cc(Cl)c1 89962705 KTPQYNMRYPNEAO-UHFFFAOYSA-N 232.110 2.672 0 40 BFAB CN(Cc1ccc(Cl)cc1)[C@@H]1CCCNC1 95067825 DEZKBLHWBOYCNS-CYBMUJFWSA-N 238.762 2.524 0 40 BFAB CCOC(=O)/C(C)=C/c1ccc(OC)c(F)c1 95348277 JYOHRVHGCJTWSS-VQHVLOKHSA-N 238.258 2.801 0 40 BFAB in-vitro Cc1cccc2c(SCCN(C)C)ncnc12 95426325 JTKHNSHWFZDRDK-UHFFFAOYSA-N 247.367 2.592 0 40 BFAB CCC[C@](C)(O)c1cc(F)c(F)c(OC)c1 95739082 BULJFZCRKVQGRP-LBPRGKRZSA-N 230.254 2.981 0 40 BFAB CCC(O)(CC)c1cccc(N(C)C)c1 95739397 KAKOQJZVUWEHJI-UHFFFAOYSA-N 207.317 2.760 0 40 BFAB CCO[C@@H](C)c1nccn1CC1CCC1 95977990 NYPHCSVLEROFNP-JTQLQIEISA-N 208.305 2.781 0 40 BFAB CC1CCC(CNC[C@H](C)C[C@@H](C)O)CC1 95978508 ULFXDZSTINBTEH-CEUNDQEZSA-N 227.392 2.809 0 40 BFAB C[C@@H](Cc1ccc(F)cc1)Nc1ccnn1C 97037938 IIQLRQAGAYCHRC-JTQLQIEISA-N 233.290 2.602 0 40 BFAB Cc1ccc(Cc2sc(N(C)C)nc2N)cc1 103700424 DCRQAFYSUWTANS-UHFFFAOYSA-N 247.367 2.691 0 40 BFAB O=C1CCNc2c1ccc(F)c2Br 169805264 RUUDUXIOQMEYRV-UHFFFAOYSA-N 244.063 2.587 0 40 BFAB CCC(=O)c1c(OC)ccc(F)c1F 199538477 WQDCMAWSBCQPDK-UHFFFAOYSA-N 200.184 2.566 0 40 BFAB CC1=CC(C)(C)N(CC(=O)O)c2ccc(F)cc21 223185719 UNTTXRYTUOLIQU-UHFFFAOYSA-N 249.285 2.912 0 40 BFAB Brc1ccncc1N1CCCCC1 237965719 XDFXKHMRQRHFOP-UHFFFAOYSA-N 241.132 2.834 0 40 BFAB O=C1COc2cc(Br)c(Cl)cc21 238553056 BYZJDTIAZCUZGN-UHFFFAOYSA-N 247.475 2.678 0 40 BFAB CC(C)(C)c1nc(C(F)(F)F)ccc1CN 242548091 LCIMZBPGMDPSQC-UHFFFAOYSA-N 232.249 2.857 0 40 BFAB COC(=O)C1(c2ccc(OC)c(Cl)c2)CC1 257821504 DZMDXNOQJQWIAR-UHFFFAOYSA-N 240.686 2.553 0 40 BFAB CCCN(c1ccccc1)[C@H](CC)C(=O)O 260679415 MCAOLEIRXFDFEK-GFCCVEGCSA-N 221.300 2.766 0 40 BFAB FC(F)(F)c1cccnc1N1CCSCC1 298735388 UWHWYTPVIUMSRY-UHFFFAOYSA-N 248.273 2.654 0 40 BFAB FC(F)(F)CCn1ccc(Br)n1 306157837 FEERQYPNZVUORJ-UHFFFAOYSA-N 243.026 2.598 0 40 BFAB Cc1cc(OC(F)(F)F)ccc1C1CNC1 1857794092 LJTDJUQJQUFCGI-UHFFFAOYSA-N 231.217 2.580 0 40 BFAB Fc1ccc(C2=N[C@@H](c3ccccc3)CO2)nc1 1988188115 UUMDPJIUTBJOSQ-CYBMUJFWSA-N 242.253 2.739 0 40 BFAB Cc1cccc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)n1 311241 BFYXIFPDPBGSPZ-QJPTWQEYSA-N 230.311 2.765 0 40 BFAB FC(F)(F)c1ccc(COn2ccnc2)cc1 1387028 DTDMMGGCKMTANE-UHFFFAOYSA-N 242.200 2.531 0 40 BFAB Cc1ccc([C@@H]2N[C@@H]2c2ccccn2)cc1 1611064 JMKOGXJOGSKACY-UONOGXRCSA-N 210.280 2.776 0 40 BFAB Cc1cc(C)cc(-n2cccc2C(=O)O)c1 1753193 LRHRTPSYCSWNCG-UHFFFAOYSA-N 215.252 2.792 0 40 BFAB OCCc1ccccc1OCc1ccccc1 2513708 KAMXYCVETYXNSB-UHFFFAOYSA-N 228.291 2.800 0 40 BFAB in-vitro Cc1ccc(/C=C/C(=O)O[C@@H]2CCCCC2=O)o1 3361883 UFEPNFIFLMIIJK-MMQHEFTJSA-N 248.278 2.656 0 40 BFAB c1ccn(C2=N[C@@H]3CCCC[C@@H]3S2)c1 5778526 MDJDOMNMMJBWML-ZJUUUORDSA-N 206.314 2.750 0 40 BFAB O=C(O)[C@H](Nc1ccccc1)c1ccsc1 6733599 QAQPTYAVZUUPPL-LLVKDONJSA-N 233.292 2.986 0 40 BFAB CC(C)c1ccc(N[C@@H](C)C(=O)O)cc1 8702702 HWIZPQFWZZETDV-VIFPVBQESA-N 207.273 2.695 0 40 BFAB C[C@H]1CNC[C@H](C)N1c1ccccc1Cl 11632658 IFUNTWXOFLJIFM-UWVGGRQHSA-N 224.735 2.527 0 40 BFAB O=c1[nH]c(C2CCCCC2)nc2ccccc12 13118628 MEWDLKFIQDINLZ-UHFFFAOYSA-N 228.295 2.971 0 40 BFAB Nc1cccc(CC(=O)Nc2ccc(F)cc2)c1 20186084 ASMNTIIIOJXQAZ-UHFFFAOYSA-N 244.269 2.589 0 40 BFAB Cc1cccc(-n2c(C)c(C)c(C=O)c2C)n1 22122416 YBJFQRAXVZAZCK-UHFFFAOYSA-N 228.295 2.918 0 40 BFAB CCCNC(=O)[C@H](C)Sc1ccccc1 31866498 VXHLUSGKOOWBTG-JTQLQIEISA-N 223.341 2.693 0 40 BFAB CCCCc1nc2ccc(C(=O)OC)cc2[nH]1 34351225 NTAJPXKGAMPIHG-UHFFFAOYSA-N 232.283 2.692 0 40 BFAB CN(c1ccccc1)c1ccc(CO)cc1 34956771 FUQQLHVHXBNHPQ-UHFFFAOYSA-N 213.280 2.947 0 40 BFAB COC(=O)C[C@H](C)n1cnc2cc(C)c(C)cc21 35741159 YJDPLHGKCPLDPB-NSHDSACASA-N 246.310 2.777 0 40 BFAB C[C@@H](NC(=O)c1ccncc1)c1ccccc1F 36624218 IWRAJZGNAGPOOU-SNVBAGLBSA-N 244.269 2.712 0 40 BFAB C=CC(=O)N[C@@H](c1cccs1)C(C)C 37007941 WDXZPTUTTABFFP-LLVKDONJSA-N 209.314 2.747 0 40 BFAB CCC(=O)Cc1cccc(Br)c1 37464216 CNGCZUWLRVVJFR-UHFFFAOYSA-N 227.101 2.971 0 40 BFAB CC(C)CC(=O)Nc1cccc2cn[nH]c12 39551562 PCSCRHMITYLPGL-UHFFFAOYSA-N 217.272 2.548 0 40 BFAB COC(=O)c1occc1CSc1ccccn1 40024276 ITUIINLTUPQZSA-UHFFFAOYSA-N 249.291 2.754 0 40 BFAB Cc1cccc2c(=O)c3c([nH]c12)CCCC3 42404018 BVXFTEWGRDIUJD-UHFFFAOYSA-N 213.280 2.715 0 40 BFAB Cc1cccc(C(=O)c2cccc(C)n2)c1 45028464 QRIPFRMGPXNYAS-UHFFFAOYSA-N 211.264 2.929 0 40 BFAB CNC(=O)CCc1cccc(Cl)c1Cl 58228034 QNZLJEGWFDTMBA-UHFFFAOYSA-N 232.110 2.672 0 40 BFAB Cc1cc(-c2nc(C3CCCC3)no2)no1 69517383 NNDUABRENNIBNJ-UHFFFAOYSA-N 219.244 2.691 0 40 BFAB CCCN(CCC)c1ccc(C=O)cn1 72225271 XFTLXXUIVRZKGO-UHFFFAOYSA-N 206.289 2.521 0 40 BFAB CCCCNC(=O)c1cn[nH]c1-c1cccs1 72329440 ZSSNRSPESUCVGI-UHFFFAOYSA-N 249.339 2.668 0 40 BFAB CCN(C)Cc1cc(=O)oc2cc(C)ccc12 77242000 BETNJQYZWARQSO-UHFFFAOYSA-N 231.295 2.553 0 40 BFAB C/C=C/C=C/C(=O)N1CCC[C@H]1c1cccn1C 79355390 SCIQQHYMHQQSET-PVLGIUPUSA-N 244.338 2.821 0 40 BFAB COc1cc2ncnc(Cl)c2cc1Cl 85221104 PHWAMXVPMNPOIU-UHFFFAOYSA-N 229.066 2.945 0 40 BFAB Cn1ccc(-c2nc3c(F)cccc3[nH]2)c1 95448462 IFVRKHSALFFGOG-UHFFFAOYSA-N 215.231 2.708 0 40 BFAB CC(C)[C@](C)(O)c1cccc(N(C)C)c1 95739266 HPDCOQXZUMICMJ-ZDUSSCGKSA-N 207.317 2.616 0 40 BFAB Nc1c(-c2cccc(F)c2)ncn1C1CC1 100761233 RGTYZSHWDWMVJY-UHFFFAOYSA-N 217.247 2.606 0 40 BFAB Cc1ccc([S@](=O)CCCOC(C)C)cc1 195579555 NCNTUCBKPCDAER-MRXNPFEDSA-N 240.368 2.918 0 40 BFAB C[C@@H]1CCc2[nH]c3ccc(C(=O)O)cc3c2C1 914878 WKBUQRILUMGUTL-MRVPVSSYSA-N 229.279 2.991 0 40 BFAB in-vitro CNC(=O)N(Cl)c1ccc(Cl)cc1 1568382 JVANFWKEAJXRNE-UHFFFAOYSA-N 219.071 2.640 0 40 BFAB COc1ccccc1NC1=NC[C@@H](C)S1 3076279 OJTALSOHXZUQRZ-MRVPVSSYSA-N 222.313 2.598 0 40 BFAB in-vitro Cc1cccc([C@H]2NC(=O)c3ccccc3O2)c1 5001181 MVWHUWWTGTXJDZ-HNNXBMFYSA-N 239.274 2.816 0 40 BFAB CCC[C@@H](C)C(=O)Nc1cc(N)ccc1OC 8703554 XVZPMEMMBVOKCY-SECBINFHSA-N 236.315 2.652 0 40 BFAB Cc1ccc(CNC(=O)[C@H]2CC=CCC2)cc1 9836383 OIUAFWZGZLTRKD-AWEZNQCLSA-N 229.323 2.968 0 40 BFAB CCOc1ccccc1C[C@@H](CC)C(=O)O 11976837 VUFIIYGQNRTRMD-SNVBAGLBSA-N 222.284 2.739 0 40 BFAB O=C(Nc1ccccn1)c1cccc2cccnc12 12539829 MYECAVHMPOXSRI-UHFFFAOYSA-N 249.273 2.882 0 40 BFAB C[C@H](NC(=O)[C@H]1C[C@@H]1C)c1ccc(F)cc1 12913562 UGNNRFZFLLHTDD-AUTRQRHGSA-N 221.275 2.659 0 40 BFAB Cc1cc(C)cc(C(=O)C[C@@H](C)CC(=O)O)c1 15441736 ZIAFOVWJWRSOIR-LLVKDONJSA-N 234.295 2.987 0 40 BFAB COC(=O)c1ccc2nc(C)cc(Cl)c2c1 19702754 UZJZTFRGBNHXSF-UHFFFAOYSA-N 235.670 2.983 0 40 BFAB CCCc1c(C(=O)O)cnn1-c1cccc(C)c1 20082321 WMVLUGLNIKMNTD-UHFFFAOYSA-N 244.294 2.831 0 40 BFAB in-vitro CC[C@@H](N)c1ccccc1OC(F)F 22219990 NORQOYHWPYKECS-MRVPVSSYSA-N 201.216 2.698 0 40 BFAB in-vitro OCCCSc1nc2ccccc2s1 35100109 MMPLLHZDPMTEIG-UHFFFAOYSA-N 225.338 2.771 0 40 BFAB CC[C@H](C)NC(=O)Cc1c[nH]c2ccccc12 35128106 RJIJGVXTOUCJNA-JTQLQIEISA-N 230.311 2.625 0 40 BFAB O=C(N[C@H]1CCOc2ccccc21)c1ccoc1 36394050 WPUHDWDFVPVULQ-LBPRGKRZSA-N 243.262 2.533 0 40 BFAB CCc1ccc(-c2n[nH]c(N)c2CC)cc1 36916167 QJGPGKOSLWKVBA-UHFFFAOYSA-N 215.300 2.784 0 40 BFAB CCCCCCNC(=O)N[C@H](C)CC 39971586 XZJYTTHBEZBVGM-SNVBAGLBSA-N 200.326 2.664 0 40 BFAB O=C(c1cccc(Cl)c1)N1CCSCC1 40542014 GIDVOSZOPDDWCP-UHFFFAOYSA-N 241.743 2.529 0 40 BFAB CCN(C(=O)CC(F)(F)F)c1ccccc1 43073308 SMQMAUBNRVLYJG-UHFFFAOYSA-N 231.217 2.992 0 40 BFAB C[C@@H]([C@H](O)c1ccccc1)N1CCCCC1 44119508 CYPOTTRENVPAPL-JSGCOSHPSA-N 219.328 2.594 0 40 BFAB COc1ccc(NC(=O)C2CCC2)cc1F 48505974 AEFZFKZTXDRQIX-UHFFFAOYSA-N 223.247 2.573 0 40 BFAB Cc1cc(O)cc([C@@H]2CCCN2C(C)C)n1 72348462 ZUPSZNYRCMPOFG-ZDUSSCGKSA-N 220.316 2.641 0 40 BFAB Cc1ccc(Cl)c(NCc2ncc[nH]2)c1 83351652 DDJDTMIARYIKRF-UHFFFAOYSA-N 221.691 2.984 0 40 BFAB CCC[C@@H](CCCNCC1CCC1)OC 85396134 RTJMXFQDWZBNMR-ZDUSSCGKSA-N 213.365 2.971 0 40 BFAB C[C@@H]1CNCc2cc(Br)ccc21 91368574 DZKBKESMSHBZNB-SSDOTTSWSA-N 226.117 2.656 0 40 BFAB in-vitro Cc1nnc(CN[C@@H](C)c2ccccc2)s1 95984161 DFGGYTZHCIYHQZ-VIFPVBQESA-N 233.340 2.697 0 40 BFAB CCn1c(-c2ccnn2C)nc2ccc(F)cc21 96499990 ZLKNRVYUSZIRMR-UHFFFAOYSA-N 244.273 2.596 0 40 BFAB CO/C=C(/F)C(=O)Nc1cccc(Cl)c1 98175036 KUMRUMGDVNVROM-RMKNXTFCSA-N 229.638 2.736 0 40 BFAB Oc1cc2ccc(Br)cc2[nH]1 100346273 GZVHCDKINOVRDM-UHFFFAOYSA-N 212.046 2.636 0 40 BFAB CC(C)(C)OC(=O)N[C@@H]1COc2ccccc2C1 108644768 GGNZVUXIPRGAHG-NSHDSACASA-N 249.310 2.515 0 40 BFAB O=C(c1ccc2c(c1)CCO2)C(F)(F)Cl 122979581 MXOUINZLSDVHBA-UHFFFAOYSA-N 232.613 2.636 0 40 BFAB CCCNC(=O)N[C@H](CC)c1ccccc1 136069150 VUQCBRFJXZZEFI-GFCCVEGCSA-N 220.316 2.847 0 40 BFAB C[C@H]1C[C@@H](N[C@@H]2CCCn3ncnc32)CC[C@H]1C 195566066 LZYKDYVVWWDHAA-MROQNXINSA-N 248.374 2.527 0 40 BFAB Cc1nc(C(=O)O)c2ccccc2c1C 225747465 DZLFZFTUVMOGLU-UHFFFAOYSA-N 201.225 2.550 0 40 BFAB O=C(c1ccc2c(n1)CCCC2)C1CCC1 252481331 CJBGJFYIDALYPN-UHFFFAOYSA-N 215.296 2.943 0 40 BFAB CCc1ccc(/C=C2\SC(=O)N(C)C2=O)cc1 409339198 SRVLGHFDTHHENK-FLIBITNWSA-N 247.319 2.915 0 40 BFAB CCOC(=O)c1[nH]c2ccc(F)cc2c1F 527392810 IXDZKRHCUZBOQF-UHFFFAOYSA-N 225.194 2.623 0 40 BFAB O=Cc1c(Br)cnn1C1CCCC1 685936708 SAXSBTVTTNCIOR-UHFFFAOYSA-N 243.104 2.573 0 40 BFAB Nc1cc2cccc(F)c2nc1OCC1CC1 685937355 NSWBWOZPCRNENV-UHFFFAOYSA-N 232.258 2.745 0 40 BFAB CCCN(CCC)C(=O)c1cccc(OC)c1 30025 NQULRHVOEWCHMP-UHFFFAOYSA-N 235.327 2.957 0 40 BFAB COc1ccc(NC(=O)Nc2ccncc2)cc1 67722 IFKGCTGEAFOLOL-UHFFFAOYSA-N 243.266 2.734 0 40 BFAB CC1CCC2(CC1)NC(=O)c1ccccc1O2 284257 FEQZSOCESXHVCK-UHFFFAOYSA-N 231.295 2.715 0 40 BFAB O=C(O)c1cccc(NC(=O)C2CCCCC2)c1 874521 UKYBHQDUVKBFFX-UHFFFAOYSA-N 247.294 2.904 0 40 BFAB CC1CCC(S[C@H]2CC(=O)CCC2=O)CC1 1579158 BFVAXXONUGUDCU-OCTTZUBCSA-N 240.368 2.989 0 40 BFAB CCOC(CN(C(C)C)C(C)C)OCC 1689833 KQSXCKWLUITYIK-UHFFFAOYSA-N 217.353 2.504 0 40 BFAB in-vitro Nc1scc(-c2ccccc2)c1C(=O)O 2538956 YMQZWOBNPVVPPJ-UHFFFAOYSA-N 219.265 2.696 0 40 BFAB S=C(NC1CC1)N[C@H]1CCCc2ccccc21 2643133 AESGCLUMDXCWSQ-ZDUSSCGKSA-N 246.379 2.691 0 40 BFAB CN(Cc1ccco1)c1ncnc2sccc12 3405738 JCVZUNDFFVZHJY-UHFFFAOYSA-N 245.307 2.921 0 40 BFAB COc1ccc(OC)c(CN2CCCCC2)c1 4689844 BMMKWHYOWIKQLW-UHFFFAOYSA-N 235.327 2.690 0 40 BFAB COC[C@]1(C)C[C@H]2CCCC[C@@H]2C[C@@]1(C)O 5464628 LSNIDYPUZZOYIG-YIYPIFLZSA-N 226.360 2.990 0 40 BFAB CCC(CC)C(=O)Nc1ccc(N)cc1C 8703469 YPWZFRQRCKQWEI-UHFFFAOYSA-N 220.316 2.952 0 40 BFAB COc1c2ccoc2c(O)c2oc(C)cc(=O)c12 8879272 NCVZWWIIWBIDQJ-UHFFFAOYSA-N 246.218 2.562 0 40 BFAB biogenic O=C(O)c1ccc(SC(F)F)cc1 8983758 ZZJSQHYCIPFNKN-UHFFFAOYSA-N 204.197 2.700 0 40 BFAB in-vitro COc1cc(Cl)c(OC)c2sc(N)nc12 17164120 ZLHNOONVBJQEDA-UHFFFAOYSA-N 244.703 2.549 0 40 BFAB Nc1cccc(COCc2ccccc2)c1 19393449 YNGZKYBHLZBSRH-UHFFFAOYSA-N 213.280 2.986 0 40 BFAB Cc1ccc2oc(C(=O)NC3CC3)c(C)c2c1 28575530 OXSMEIQONPFECX-UHFFFAOYSA-N 229.279 2.942 0 40 BFAB Cn1cc(NCc2cccc(Cl)c2)cn1 35737631 NZVXYPIKDMGIAP-UHFFFAOYSA-N 221.691 2.686 0 40 BFAB CCC[C@H](N)CN1CC[C@@H]2CCCC[C@@H]2C1 36873721 UAQKEJZZPGARJA-MJBXVCDLSA-N 224.392 2.626 0 40 BFAB COCc1c(C(=O)O)sc2ccccc12 36924213 SXDVBKGOIYFFMU-UHFFFAOYSA-N 222.265 2.746 0 40 BFAB in-vitro CCC[C@H](c1ccccc1)N1CCC[C@H](N)C1 41027511 VVINIKCMJAXEEK-LSDHHAIUSA-N 232.371 2.951 0 40 BFAB CN(CCCNC(=O)C(C)(C)C)c1ccccc1 41946175 SZURJMWTAJRAEG-UHFFFAOYSA-N 248.370 2.675 0 40 BFAB Fc1ccc(COCC[C@H]2CCCNC2)cc1 42771952 BDWYDHHGWAIRGB-GFCCVEGCSA-N 237.318 2.732 0 40 BFAB Clc1cccc(OC[C@@H]2CCNC2)c1Cl 42772240 QYSJLKBNWUELFI-MRVPVSSYSA-N 246.137 2.982 0 40 BFAB FC(F)(F)c1ccccc1O[C@@H]1CCCNC1 42776182 BKZFRAWJTDDJRV-SECBINFHSA-N 245.244 2.836 0 40 BFAB O=C(c1cc(F)cc(F)c1)c1ccccn1 43210493 OBWKIDDQSCZLQT-UHFFFAOYSA-N 219.190 2.591 0 40 BFAB O[C@H](c1cccc(Cl)c1)C(F)(F)F 43367872 IFUMGCOCVZUIRR-SSDOTTSWSA-N 210.582 2.936 0 40 BFAB in-vitro CC(C)c1nnc(CN2CCCCCCC2)o1 58431153 XOGSKFVXNUNFPS-UHFFFAOYSA-N 237.347 2.959 0 40 BFAB CC(=O)O/C(=C\C(F)(F)F)C(F)(F)F 64370234 AKLLQGZSSPIBMP-RQOWECAXSA-N 222.084 2.558 0 40 BFAB C[C@H](c1ccccc1)n1c(C(=O)O)c[nH]c1=S 75785420 KCWRAMZXSYCRAC-MRVPVSSYSA-N 248.307 2.853 0 40 BFAB CSc1ccc(CNC(=O)C2CC=CC2)cc1 77738975 PRBQPACPVZCNOG-UHFFFAOYSA-N 247.363 2.991 0 40 BFAB C[C@H]1Cc2ccccc2N1C(=O)[C@H]1CCCS1 82337158 PMOZJGGKZVTQIS-GXFFZTMASA-N 247.363 2.860 0 40 BFAB Fc1cccc(Sc2ncccn2)c1 84489435 FHQAAYNJFRXKLS-UHFFFAOYSA-N 206.245 2.767 0 40 BFAB F[C@H]1Oc2cc(Cl)ccc2OC1(F)F 91252135 WHQOTEIXXRDIOO-ZETCQYMHSA-N 224.565 3.000 0 40 BFAB CCc1c(C)nc2cc(C(C)(C)C)nn2c1O 100494113 YCCWOZNJWDUSTH-UHFFFAOYSA-N 233.315 2.603 0 40 BFAB CC(C)c1cc(O)n2c(n1)nc1ccccc12 101771943 NUOAKWFAJSEHBR-UHFFFAOYSA-N 227.267 2.712 0 40 BFAB CC1=N[C@](C)(c2ccccc2)N([O])C1(C)C 104478542 YCTWSQHOOYOWQK-ZDUSSCGKSA-N 217.292 2.760 0 40 BFAB COC(=O)c1c[nH]nc1-c1cccc(Cl)c1 124894894 BRLSTYWVTXGRJP-UHFFFAOYSA-N 236.658 2.517 0 40 BFAB CC[C@H](O)c1ccc(C(F)(F)F)nc1 144461055 LQDNZBCTHSULMT-ZETCQYMHSA-N 205.179 2.544 0 40 BFAB NN[C@@H](c1ccccc1)c1cc(F)cc(F)c1 161802124 SHJUEASEKXEUCT-ZDUSSCGKSA-N 234.249 2.518 0 40 BFAB CCc1ncnc(N[C@@H](C)c2ccncc2)c1F 194963567 RUUDLWOBQNXOHH-VIFPVBQESA-N 246.289 2.746 0 40 BFAB CN1CCC[C@@H]1c1cccc(Br)n1 205706548 PHJQTOONVCTRCS-SECBINFHSA-N 241.132 2.611 0 40 BFAB NC[C@H]1Nc2ccccc2C12CCCCC2 218699180 SUNGALYYQFUPCB-CYBMUJFWSA-N 216.328 2.641 0 40 BFAB CCn1c(CO)ccc1Cc1ccc(C)cc1 226029238 YGRCTWWLIDRINN-UHFFFAOYSA-N 229.323 2.900 0 40 BFAB CCCCCNCc1ccnn1C(F)F 256051600 JUNWYBPWYIIFIZ-UHFFFAOYSA-N 217.263 2.558 0 40 BFAB O=C(c1cc(F)cc(Cl)c1)N1CCCC1 268356199 SGRGHAWFHGLVRV-UHFFFAOYSA-N 227.666 2.715 0 40 BFAB O=C(c1cccs1)C(F)(F)Br 306518220 GSKMJKCNWVRBPS-UHFFFAOYSA-N 241.056 2.919 0 40 BFAB CCOC(CNc1ccc(C)cc1)OCC 163349 UUWJVLGSKSIUKN-UHFFFAOYSA-N 223.316 2.806 0 40 BFAB CCCC(=O)N[C@@H](C)c1nc2ccccc2n1C 200693 LPBOGNDRJBAMMV-JTQLQIEISA-N 245.326 2.551 0 40 BFAB CCCn1cnc2c(=O)oc3ccccc3c21 272772 MAIPMUKCRMAMJS-UHFFFAOYSA-N 228.251 2.553 0 40 BFAB Cc1ccc(C(=O)N2CCCCCC2)o1 475784 VAFJSYDGIZQRPA-UHFFFAOYSA-N 207.273 2.604 0 40 BFAB Cc1cc[n+](CCc2ccccc2)cc1C 1051139 ATQMMNJOTLBBJC-UHFFFAOYSA-N 212.316 2.834 0 40 BFAB O=C1Nc2ccccc2CCC1(Cl)Cl 4658984 LBLVWRMGTPVFLY-UHFFFAOYSA-N 230.094 2.745 0 40 BFAB CC(C)(C)OC(=O)CCNCc1ccccc1 5066412 GUQYIGJNMMWKCS-UHFFFAOYSA-N 235.327 2.508 0 40 BFAB CCCCCC(=O)Nc1ccc2c(c1)OCO2 5459923 HKBZUVVWBBOUQT-UHFFFAOYSA-N 235.283 2.934 0 40 BFAB Cc1nnc(SCc2cccnc2)s1 6276398 MVCZQTJCHMGULR-UHFFFAOYSA-N 223.326 2.534 0 40 BFAB CCCNCc1ccc(Br)cc1 6430920 LLWHQBWJJQFTPF-UHFFFAOYSA-N 228.133 2.949 0 40 BFAB in-vitro CCC(CC)NC(=O)c1ccc[nH]c1=S 6508647 HHZUENZGPCNEQY-UHFFFAOYSA-N 224.329 2.663 0 40 BFAB Cc1ccc(NC(=O)NN2CCCCC2)cc1 10409037 OQRQORKUIHALPY-UHFFFAOYSA-N 233.315 2.517 0 40 BFAB COc1ccc(CN)cc1OCc1ccccc1 11993243 MPXVGWDIYAEOLD-UHFFFAOYSA-N 243.306 2.733 0 40 BFAB Cc1ccc(OCC[C@@H]2CCCCN2)cc1 14632337 QCRBVIOHXDYQFW-ZDUSSCGKSA-N 219.328 2.906 0 40 BFAB O=C(O)/C=C/c1nc2cccc3cccc([nH]1)c32 16916426 WLWIBKOIAMNPMO-BQYQJAHWSA-N 238.246 2.814 0 40 BFAB Nc1c(Cl)cc(C=O)cc1C(F)(F)F 19721723 IASKDXYOOLBEFF-UHFFFAOYSA-N 223.581 2.754 0 40 BFAB CC(C)(O)Cc1ccc2c(c1)CCCC2 19780397 ZXJUUTYDFXPVDT-UHFFFAOYSA-N 204.313 2.879 0 40 BFAB Cc1cc(C(=O)N2C[C@H](C)C[C@@H](C)C2)ccc1N 22171534 PPIWNGPPLOBRNT-GHMZBOCLSA-N 246.354 2.695 0 40 BFAB Cc1[nH]c2ccccc2c1C(=O)NCC1CC1 27467068 NCHGFVWQSXRENR-UHFFFAOYSA-N 228.295 2.616 0 40 BFAB CC[C@@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)OCO2 28305258 AKIDXHDKTYAVEU-ZJUUUORDSA-N 249.310 2.639 0 40 BFAB O[C@@H](c1cccc(Cl)c1)c1ccccn1 30952732 FBGQCTZCPITIQD-LBPRGKRZSA-N 219.671 2.817 0 40 BFAB Cn1ccnc1CSc1ncccc1Cl 34067038 QPXPCBWWQCQSCI-UHFFFAOYSA-N 239.731 2.761 0 40 BFAB O=C(O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 37380726 IYYOCNQIQCLRHF-DTWKUNHWSA-N 246.184 2.773 0 40 BFAB COc1ccc(C2=C(C)N(O)C(C)(C)[N+]2=O)cc1 38344744 WRZAJXSVGIYPAB-UHFFFAOYSA-N 249.290 2.604 0 40 BFAB CC[C@H](Nc1cc(C)ccc1C)C(=O)OC 40019929 AFJGEBDFIXVYNW-NSHDSACASA-N 221.300 2.667 0 40 BFAB COc1ccc(OCCN2CCC[C@@H](C)C2)cc1 40161805 VGNMSCCVHRJXQH-CYBMUJFWSA-N 249.354 2.806 0 40 BFAB CC(C)Sc1nc(Br)ns1 49582301 OGWQEFUXUMZTJI-UHFFFAOYSA-N 239.163 2.801 0 40 BFAB COC1CCN(Cc2ccccc2C)CC1 53906796 CQJIVMHAVCCHNQ-UHFFFAOYSA-N 219.328 2.606 0 40 BFAB CN(C)[C@H](CO)c1ccc(Cl)cc1Cl 70452966 TUXXNGRIPJYLPR-SNVBAGLBSA-N 234.126 2.588 0 40 BFAB Cc1nn(-c2ccc(C=O)cc2)cc1Cl 70689650 HMFRSRGDOFZHQA-UHFFFAOYSA-N 220.659 2.647 0 40 BFAB Cc1cc(CNc2ccccc2C)no1 70922400 TWHXARVGZAVPCU-UHFFFAOYSA-N 202.257 2.904 0 40 BFAB CC(C)CN1CCC[C@@H]1c1ccccn1 72210978 ZKUIEQVTHXGDEL-CYBMUJFWSA-N 204.317 2.875 0 40 BFAB Cc1nc(N(C)C)ccc1C(=O)c1ccccc1 72224145 OOSWFHAEUIVYIJ-UHFFFAOYSA-N 240.306 2.687 0 40 BFAB CC(C)N(C[C@@H]1C[C@H]1C)C(=O)Nc1cccnc1 72304748 XTCZSNUMKVPPMI-NEPJUHHUSA-N 247.342 2.980 0 40 BFAB Cc1cccc([C@@H]2NCCc3sccc32)n1 75172896 MYMCYOHOGNNYBB-CYBMUJFWSA-N 230.336 2.687 0 40 BFAB Cc1c(Cl)cccc1NC(=O)c1cncn1C 82324739 GATFDJAHDDNWNG-UHFFFAOYSA-N 249.701 2.634 0 40 BFAB CCOC(=O)/C=C/c1cc(C)ccc1F 83291634 KEWRZVAYJLEMSN-FNORWQNLSA-N 208.232 2.710 0 40 BFAB COC(=O)c1ccc(C(=O)c2ccc(C)cc2)o1 85394294 YIWCERMEGOHSDE-UHFFFAOYSA-N 244.246 2.606 0 40 BFAB Cc1cnc2cc(C(F)(F)F)ccc2n1 90399635 RZUGNZABFZHEKL-UHFFFAOYSA-N 212.174 2.957 0 40 BFAB CC(=O)c1ccc(NC(=O)OC(C)(C)C)nc1 95757548 VXJHAANTFMDWBJ-UHFFFAOYSA-N 236.271 2.631 0 40 BFAB Cc1cccc(F)c1NC(=O)c1cscn1 95988972 ZQRHEVQRCFTQMJ-UHFFFAOYSA-N 236.271 2.843 0 40 BFAB COCc1noc(-c2ccc(Cl)c(F)c2)n1 96487418 LWNPQEFCQDYGHW-UHFFFAOYSA-N 242.637 2.676 0 40 BFAB CCCC(=O)N1C[C@]2(C)C[C@@H]1C(C)(C)C2 100165286 APEQZUHJVORQHD-ZWNOBZJWSA-N 209.333 2.824 0 40 BFAB Cc1nc(-c2cccc(F)c2)c(N)n1C1CC1 100761307 SEBORFAJAJVEEF-UHFFFAOYSA-N 231.274 2.915 0 40 BFAB COc1ccc2c(c1)C1[C@H]3C4C5[C@@H]3C2[C@@H]5[C@H]14 101037049 ACYLUOJGJPYKPD-UAXYONPLSA-N 210.276 2.628 0 40 BFAB CN(C)C(=O)CCCSc1cccc(F)c1 188069236 APQHDUASUOAMRZ-UHFFFAOYSA-N 241.331 2.786 0 40 BFAB Cc1c2ccc(=S)ccc2c(C)n1CCO 218891832 WONRQOCCGSPMOY-UHFFFAOYSA-N 233.336 2.980 0 40 BFAB Cc1c(C(F)F)[nH]c2ccc(F)cc2c1=O 685938242 MSYLPEJOOIFQBO-UHFFFAOYSA-N 227.185 2.913 0 40 BFAB Oc1ccccc1NCC(F)(F)C(F)F 1083811073 SUONTIYYEWOWNP-UHFFFAOYSA-N 223.169 2.705 0 40 BFAB Cn1cc(-c2ccc([C@H]3CCCCN3)cc2)cn1 1857782886 YGKZVBVTHIAHLX-OAHLLOKOSA-N 241.338 2.902 0 40 BFAB Cc1ncnc(N2CCc3ccccc32)c1F 1888857108 NOBRZCSOZQSFFU-UHFFFAOYSA-N 229.258 2.618 0 40 BFAB COc1ccc(C(=O)N2CCC[C@H](C)C2)cc1 29243 KNMLGRITKHIXLO-NSHDSACASA-N 233.311 2.567 0 40 BFAB COC(=O)[C@H](C)Oc1cc(C)cc(C)c1C 1459108 KWEIDPGSIAMSON-NSHDSACASA-N 222.284 2.552 0 40 BFAB COc1ccc(Cl)c2ccc(C=O)nc12 1526683 QYKOEQJFOCITHD-UHFFFAOYSA-N 221.643 2.709 0 40 BFAB in-vitro CCCCCCOC(=O)c1ccccn1 1587737 XNQFSCZLUXHABZ-UHFFFAOYSA-N 207.273 2.819 0 40 BFAB O=C(O)c1ccc(-c2ccccc2)cc1C(=O)O 1602105 YYEWRNLQOAIQDL-UHFFFAOYSA-N 242.230 2.750 0 40 BFAB CN[C@H](c1ccccc1)[C@H](O)c1ccccc1 1718671 BLDFSDCBQJUWFG-HUUCEWRRSA-N 227.307 2.681 0 40 BFAB COc1ccc(CN[C@@H](C)C2CC2)cc1 4218516 DWNVHCGNTDKNBG-JTQLQIEISA-N 205.301 2.583 0 40 BFAB in-vitro COc1ccc(Cl)cc1C(=O)NC(C)(C)C 5383655 TZXXWDNICCMSHH-UHFFFAOYSA-N 241.718 2.877 0 40 BFAB COC[C@@]1(C)C[C@@H]2CCCC[C@@H]2C[C@@]1(C)O 5464622 LSNIDYPUZZOYIG-REWJHTLYSA-N 226.360 2.990 0 40 BFAB C[C@H](NC(=O)c1ccncc1)c1cccc(F)c1 12984522 HGTYLQAFFRTFCS-JTQLQIEISA-N 244.269 2.712 0 40 BFAB CC(=O)CC[C@@H]1C(C)=CC(=O)CC1(C)C 14587629 GSTVTHMQXVKNQF-GFCCVEGCSA-N 208.301 2.917 0 40 BFAB biogenic,in-vitro CCNC(=O)OCc1ccc(Cl)cc1 16681723 REZFVTIUPRNSFJ-UHFFFAOYSA-N 213.664 2.586 0 40 BFAB Fc1ccccc1NCc1ccccn1 19944784 CZDAONHPWFSRBT-UHFFFAOYSA-N 202.232 2.833 0 40 BFAB CN(Cc1ccccc1)CC1(N)CCCCC1 20072561 HYNOTTVGLDVPQJ-UHFFFAOYSA-N 232.371 2.780 0 40 BFAB CCC(CC)C(=O)Nc1ccc(N)cc1F 20157259 RNXPXGOUCJDCTG-UHFFFAOYSA-N 224.279 2.783 0 40 BFAB Cc1cccc(N[C@@H](C)C(=O)NC(C)(C)C)c1 20312477 NHVIHVYKHUXNSX-NSHDSACASA-N 234.343 2.710 0 40 BFAB Cc1cccnc1NC(=O)c1cc(F)cc(F)c1 21893431 OWXOWHVABKSCQQ-UHFFFAOYSA-N 248.232 2.921 0 40 BFAB O=C1C[C@@H](c2ccccc2)c2cccc(O)c2O1 22114734 ZCMLWBCOCDSUKG-LBPRGKRZSA-N 240.258 2.833 0 40 BFAB Cc1ccc(C(=O)NCc2ccc(C)n2C)s1 25467129 FPIBMOWPRBKSTC-UHFFFAOYSA-N 248.351 2.633 0 40 BFAB C[C@H]1C[C@@H]1C(=O)Nc1nc(C2CC2)cs1 25560556 QAFGZNIKOOFRDJ-XPUUQOCRSA-N 222.313 2.615 0 40 BFAB CC(C)(C)c1ccc(-c2nnc(NN)s2)cc1 28047686 WRZQCCXHRWPODT-UHFFFAOYSA-N 248.355 2.788 0 40 BFAB Fc1cccc(COCC[C@@H]2CCCCN2)c1 28522159 XKOQKFWOBXAHPI-AWEZNQCLSA-N 237.318 2.875 0 40 BFAB COc1nccc(C)c1NC(=O)OC(C)(C)C 34182342 HQOJKIBFDPUKDD-UHFFFAOYSA-N 238.287 2.746 0 40 BFAB COc1ccc2ccccc2c1[C@@H]1C[C@@H]1N 37381722 BXUWFDCOLNLBMW-NEPJUHHUSA-N 213.280 2.663 0 40 BFAB CCOC(=O)C(=O)c1c(C)c(C)cc(C)c1C 41262675 MRJZGHITZJHRKD-UHFFFAOYSA-N 234.295 2.666 0 40 BFAB CCCCCNC[C@@H](C)C(=O)OC(C)(C)C 47219064 QIBFKKZOICXVKM-LLVKDONJSA-N 229.364 2.744 0 40 BFAB CC(=O)Oc1c(C(=O)O)cc(Cl)c(C)c1C 57339601 RMRZYCGXRUKHOZ-UHFFFAOYSA-N 242.658 2.580 0 40 BFAB Cc1nc(CSCc2ccccc2)no1 57686032 DULDJLYUUJTUJJ-UHFFFAOYSA-N 220.297 2.811 0 40 BFAB Cc1ccnc(NC2CCCCCC2)n1 61858934 AJYAURYTODXXBY-UHFFFAOYSA-N 205.305 2.920 0 40 BFAB CC(C)CSCc1nc2ccccc2c(=O)[nH]1 71077258 BQOAAMDIJBSRQI-UHFFFAOYSA-N 248.351 2.812 0 40 BFAB CCN1CCC[C@H]1c1ccc(N2CCCC2)nc1 72215914 IFEKFTISBAILNF-AWEZNQCLSA-N 245.370 2.839 0 40 BFAB c1cc(N2CCCCCC2)ncc1[C@@H]1CCCN1 72216624 LNJZEMJKRKGQSZ-AWEZNQCLSA-N 245.370 2.887 0 40 BFAB Fc1ccc(-c2cc(C3CCNCC3)n[nH]2)cc1 72417410 PDVBMCJTMRMBAH-UHFFFAOYSA-N 245.301 2.683 0 40 BFAB C/C=C/CS[C@@H](C)C(=O)NC1CCCC1 75607196 SVASQDZITJCGJW-FSIBCCDJSA-N 227.373 2.743 0 40 BFAB Oc1cc2cccnc2cc1Br 82291379 FJWCPOBQDFEVJT-UHFFFAOYSA-N 224.057 2.703 0 40 BFAB C[C@H]1CCC(=O)[C@@H](Cc2ccccn2)C1 86355134 XDHBCLWRQHBOKK-WDEREUQCSA-N 203.285 2.629 0 40 BFAB O=C1CN(c2ccccc2)c2ccccc2N1 92511363 FHIBUSCZUPOSEK-UHFFFAOYSA-N 224.263 2.777 0 40 BFAB C[C@H](NCc1cncs1)c1cncc(F)c1 96005656 CZTKZCRIMSYGEB-QMMMGPOBSA-N 237.303 2.528 0 40 BFAB Cc1cc(O)c(Br)c2cc[nH]c12 96321438 ZYCVCRCZHWCTTD-UHFFFAOYSA-N 226.073 2.944 0 40 BFAB c1cnc(N2CCC3(CCCC3)CC2)cn1 96413764 PWOFNIDZMFAQAP-UHFFFAOYSA-N 217.316 2.637 0 40 BFAB CCOC(=O)CCCc1cccc(C)c1 114543216 VYEGSGOXUUBRNN-UHFFFAOYSA-N 206.285 2.881 0 40 BFAB COc1cc(F)c(Br)cc1C(C)=O 161514871 LSBSLKIICSYITA-UHFFFAOYSA-N 247.063 2.799 0 40 BFAB CCc1ccc(N[C@@H]2CCCC[C@H]2N)cc1 218863167 KCDCPEUDJGVRJN-ZIAGYGMSSA-N 218.344 2.931 0 40 BFAB Cc1ccnc(NC(=S)NCC(C)(C)C)c1 225227373 SUOKZQMGUSOZNE-UHFFFAOYSA-N 237.372 2.723 0 40 BFAB CCCc1ccc(C(=O)O)n1CC(C)C 226025773 MTHWONSEUQHVJX-UHFFFAOYSA-N 209.289 2.795 0 40 BFAB Cc1ncc(CN(C)C2CCC(C)CC2)cn1 335311638 KUUZYJQCLHWUIK-UHFFFAOYSA-N 233.359 2.796 0 40 BFAB CSc1c(Cl)ccc(CO)c1F 725325996 OTQNHCSBLAZBMJ-UHFFFAOYSA-N 206.669 2.693 0 40 BFAB Cc1ncnc(Nc2cc(F)ccc2F)c1F 1888866331 BFIVJQZGSQCNJS-UHFFFAOYSA-N 239.200 2.946 0 40 BFAB Cc1ncn(-c2ccc(Cl)cc2Cl)n1 2362803602 OMPHXCNXJGDEGA-UHFFFAOYSA-N 228.082 2.883 0 40 BFAB CC(C)CC(=O)Nc1nnc(CC(C)C)s1 74106 GFYWEGWVHUWPKP-UHFFFAOYSA-N 241.360 2.721 0 40 BFAB c1ccc2c(c1)-c1ccccc1-n1cnnc1-2 1279894 WQRXBXVBBCNIFJ-UHFFFAOYSA-N 219.247 2.915 0 40 BFAB OC[C@H](c1ccc(Cl)cc1)N1CCCCC1 3636301 IGVHAXNDDSSBHC-CYBMUJFWSA-N 239.746 2.859 0 40 BFAB CC[C@H](C)C(=O)N[C@H](C)c1ccccc1 5665306 VOZIYZAFDNZVQF-WDEREUQCSA-N 205.301 2.910 0 40 BFAB O=C(NC1CCCCC1)OCC(F)(F)F 7717062 RBZWLYFELFNTOQ-UHFFFAOYSA-N 225.210 2.608 0 40 BFAB in-vitro CSc1ccc(NC(=O)C2CC2)cc1 8049013 PVFILUFMLHMLHN-UHFFFAOYSA-N 207.298 2.757 0 40 BFAB CN(Cc1ccccc1)C(=O)Nc1cccnc1 9322788 KCJLVQPLFOMSFN-UHFFFAOYSA-N 241.294 2.746 0 40 BFAB O=NNc1ccc(Oc2ccccc2)cn1 13213301 OQBKAYGNUPWMKF-UHFFFAOYSA-N 215.212 2.967 0 40 BFAB Clc1cc(Cl)c2c(c1)CCNC2 27558776 HRGNUIZWSIKGMT-UHFFFAOYSA-N 202.084 2.639 0 40 BFAB CCCN[C@H](C)Cc1ccc(OC)cc1 34563171 JWELTLIBENGORQ-LLVKDONJSA-N 207.317 2.626 0 40 BFAB CCOc1ccccc1OCCC1CCNCC1 34972605 OIENVKPYIFBQAD-UHFFFAOYSA-N 249.354 2.854 0 40 BFAB Cc1ccccc1[C@@](C)(C(=O)O)N1CCCCC1 37361850 MSSOCMLMXZHNHC-HNNXBMFYSA-N 247.338 2.781 0 40 BFAB Nc1nccn1Cc1ccc(C(F)(F)F)cc1 37635554 VVEJDWQOFCPALC-UHFFFAOYSA-N 241.216 2.532 0 40 BFAB CCC[C@H](C)Nc1ccc(C(=O)O)cc1N 37930254 PCXUMGCVVFTHIX-QMMMGPOBSA-N 222.288 2.568 0 40 BFAB Cc1ccnc(C(=O)c2ccc(F)cc2)c1 45028599 JJHNUJGRXLLNLL-UHFFFAOYSA-N 215.227 2.760 0 40 BFAB O=C(Cc1ccc(F)cc1F)c1cccnc1 50885653 HOTTZHUFRMDHMA-UHFFFAOYSA-N 233.217 2.785 0 40 BFAB in-vitro Cc1cc(N)cc(Cl)c1N1CCCC1 57326442 LTBQCASASLLIAC-UHFFFAOYSA-N 210.708 2.831 0 40 BFAB Nc1ccccc1C[C@H](C(=O)O)c1ccccc1 58001429 PWKKZTSDHKGNOR-ZDUSSCGKSA-N 241.290 2.680 0 40 BFAB Cc1ccc(C)c(NCC(=O)N2CCCCC2)c1 58374134 SBHIAEHRJABUSL-UHFFFAOYSA-N 246.354 2.728 0 40 BFAB Cc1ccc(C)n1NC(=O)c1cccc(F)c1 59549612 MGPCIMXFJBZABX-UHFFFAOYSA-N 232.258 2.628 0 40 BFAB CCCCNC(=O)CCCc1ccc(OC)cc1 61109192 CXGBSHBKISFOFT-UHFFFAOYSA-N 249.354 2.934 0 40 BFAB O=c1ccccn1C/C=C/c1ccccc1 69440134 AQYKGSFQMIIZGF-RMKNXTFCSA-N 211.264 2.562 0 40 BFAB CCN(C)c1ccc([C@H]2CCCCN2C)cn1 72212731 VYFXNGMAZYRLCR-CYBMUJFWSA-N 233.359 2.695 0 40 BFAB CCN1CCCC[C@@H]1c1ccc(NC)nc1C 72219116 AGHWNGQYRIOJLZ-CYBMUJFWSA-N 233.359 2.979 0 40 BFAB CCC(C)(CC)NC(=O)Nc1ccncc1 75138262 DCCUFQOZLUHUAI-UHFFFAOYSA-N 221.304 2.782 0 40 BFAB CCn1c(Br)nc2ccccc21 75842563 UIZPBRIMUWNIMT-UHFFFAOYSA-N 225.089 2.819 0 40 BFAB Nc1ccc2c(cnn2Cc2ccccc2F)c1 75944882 HNAXFSKDGWBXFI-UHFFFAOYSA-N 241.269 2.806 0 40 BFAB CC(=O)c1c(O)cc(C)c(Br)c1C 82307725 LTUGFRGGXSVAPI-UHFFFAOYSA-N 243.100 2.974 0 40 BFAB O=C(O)[C@H]1CCC[C@@H]1Cc1ccccc1 84325023 HMZNQCDCGOOMDO-NEPJUHHUSA-N 204.269 2.730 0 40 BFAB in-vitro O=C(O)Cc1csc2c(F)cccc12 87968486 JPVXGLRDFFOQFT-UHFFFAOYSA-N 210.229 2.668 0 40 BFAB CC(C)(C)c1nnc(N2CCCCC2)s1 89761557 HJSBTXTXOJVOTO-UHFFFAOYSA-N 225.361 2.826 0 40 BFAB CC(C)c1nsc(N2C[C@@H]3CCC[C@H]3C2)n1 89893695 HXLPXGKROWDMMH-UWVGGRQHSA-N 237.372 2.898 0 40 BFAB CCC(C)(C)NC(=O)[C@H](SC)C(C)C 95425871 QZDHTJIHQZRFHM-SECBINFHSA-N 217.378 2.679 0 40 BFAB Clc1nc2c(nc1Cl)CCCC2 95829166 CRLMOTHZSCQMCW-UHFFFAOYSA-N 203.072 2.662 0 40 BFAB in-vitro C[C@@H]1OCCN(C(=O)C2CCCCCC2)[C@@H]1C 95967979 LDQFGXJJMPERDS-NEPJUHHUSA-N 239.359 2.593 0 40 BFAB CC[C@H](S[C@H](C)C(N)=O)c1ccccc1 96433446 SPKWWCUKZDHUEG-KOLCDFICSA-N 223.341 2.745 0 40 BFAB CCS[C@@H]1CCCC[C@@H]1NCc1cc[nH]n1 96455605 RHNKSHAOZFVJKU-NWDGAFQWSA-N 239.388 2.564 0 40 BFAB CCCC1=NN(c2ccccc2F)C(=O)C1 100407015 ZLTOSABETHGNPE-UHFFFAOYSA-N 220.247 2.719 0 40 BFAB O=C(NCc1ccccc1)[C@@H]1C[C@H]2C=C[C@H]1C2 102265825 BITZGJODSWYPIT-MELADBBJSA-N 227.307 2.515 0 40 BFAB CC(C)(O)[C@@H]1CC[C@@]2(C)CCC[C@H](O)[C@@H]2C1 104278675 PYDYAPFBFDTVMM-OWTLIXCDSA-N 226.360 2.725 0 40 BFAB CCNC(=O)CSCc1cc(C)cc(C)c1 131225050 PYYRPEFFSLWGND-UHFFFAOYSA-N 237.368 2.673 0 40 BFAB CCOC(=O)Cc1c[nH]c2c(C)cccc12 157922149 UMMBTZNNCROMJN-UHFFFAOYSA-N 217.268 2.582 0 40 BFAB CC[C@@H](NN)c1cccc(C(F)(F)F)c1 161779438 AGFOKWSBQBGWSO-SECBINFHSA-N 218.222 2.620 0 40 BFAB CC(C)Oc1cc(CNc2ccccn2)ccn1 195575582 DQKSYCUYACJBIQ-UHFFFAOYSA-N 243.310 2.876 0 40 BFAB CSc1c(Cl)ccc(C(=O)O)c1F 201454323 NVAZYGPSECIYRP-UHFFFAOYSA-N 220.652 2.899 0 40 BFAB Cc1cccc(Oc2cncc(C)n2)c1 225862919 YXZOAZBAVQNZDT-UHFFFAOYSA-N 200.241 2.886 0 40 BFAB CC(C)(C)CC1=NN[C@@H]2CC(C)(C)CC(=O)[C@@H]12 228932462 LBHKEAOKZBYROH-PWSUYJOCSA-N 236.359 2.756 0 40 BFAB O=C(O)c1cnc(Cl)c2sccc12 238692681 MBWSARCZHWTRBU-UHFFFAOYSA-N 213.645 2.648 0 40 BFAB CC(C)c1nc(C(F)(F)F)ccc1CN 252510292 ZGGZGPFZLBSYBA-UHFFFAOYSA-N 218.222 2.683 0 40 BFAB C[C@H]1CC[C@H](F)CN1C(=O)OC(C)(C)C 710673646 ZEQJYYLAFDMFAN-IUCAKERBSA-N 217.284 2.744 0 40 BFAB O=C(CSC1=NCCS1)c1ccccc1 297434 MMPPSOUDWOOQCE-UHFFFAOYSA-N 237.349 2.705 0 40 BFAB O=C1OCCN1Cc1ccc(Cl)c(Cl)c1 1672051 UIGSLYIJZZERHE-UHFFFAOYSA-N 246.093 2.946 0 40 BFAB COC(=O)Nc1ccccc1Br 3195197 NQAASRWRCHYEBM-UHFFFAOYSA-N 230.061 2.627 0 40 BFAB O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)c1ccccc1 4514235 OMKJOVVKLPKENU-UHTWSYAYSA-N 215.296 2.605 0 40 BFAB Cc1nc(S[C@H](C)C(=O)O)c2ccccc2n1 4536983 DYXBKEBSWWCVBF-SSDOTTSWSA-N 248.307 2.503 0 40 BFAB C[C@H]1C[C@@H](C[C@@H]2CC[C@H](N)[C@H](C)C2)CC[C@@H]1N 4538057 IGSBHTZEJMPDSZ-DEPYFDJDSA-N 238.419 2.904 0 40 BFAB CC(C)(CO)NCc1ccc(Cl)cc1Cl 4657411 SSWKCBYOIZEJNA-UHFFFAOYSA-N 248.153 2.854 0 40 BFAB O=C(NCCc1cccc(F)c1)c1ccsc1 7125571 PMSSHGDYAKWXOM-UHFFFAOYSA-N 249.310 2.860 0 40 BFAB C[C@H]1C[C@H](C)CN(CCOc2ccccc2N)C1 8703264 VFGPXJNBIQKAMT-STQMWFEESA-N 248.370 2.626 0 40 BFAB Cc1ccc(-n2cc[nH]c(=S)c2=O)cc1C 9941207 IMMCVCXHZZGVFG-UHFFFAOYSA-N 232.308 2.512 0 40 BFAB CCC(=O)N[C@@H]1CCSc2ccccc21 13011754 NTYTVAAOVNPFEG-SNVBAGLBSA-N 221.325 2.750 0 40 BFAB Oc1ccc(-c2ccc(Cl)nn2)cc1 15021746 JSUYLPCPJZSZSI-UHFFFAOYSA-N 206.632 2.503 0 40 BFAB S=c1nc(-c2ccc3c(c2)CCO3)cc[nH]1 15919733 ILABTJJCSBGTKL-UHFFFAOYSA-N 230.292 2.741 0 40 BFAB Cc1ccc(C(=O)N2[C@@H](C)CCC[C@H]2C)o1 18152864 CEJRJPOCDXJGHC-AOOOYVTPSA-N 221.300 2.991 0 40 BFAB COCCN[C@H](C)c1ccc(Cl)cc1 19881307 MRTVOCLFJWZBHA-SECBINFHSA-N 213.708 2.637 0 40 BFAB O=C(O)Cc1scnc1-c1ccc(F)cc1 20439171 XRJNUEKWBXWZKH-UHFFFAOYSA-N 237.255 2.576 0 40 BFAB COC(=O)c1cc(Cl)c2cc(C)ccc2n1 21986845 PMPBIJRKYOYYSZ-UHFFFAOYSA-N 235.670 2.983 0 40 BFAB Cc1noc(C)c1CN(C)Cc1ccccc1 24547812 UUOBRQSBOTXZPU-UHFFFAOYSA-N 230.311 2.923 0 40 BFAB Clc1ccc(COCC2CCNCC2)cc1 28522004 LBEIQIHZWIFQDR-UHFFFAOYSA-N 239.746 2.856 0 40 BFAB CN(Cc1cccc(N)c1)C(=O)OC(C)(C)C 32627231 WKSUFZUBKZRSME-UHFFFAOYSA-N 236.315 2.636 0 40 BFAB CC[C@@H](C)C(=O)Nc1cccc(NC(C)=O)c1C 32753731 NSPMDWSEAOFECW-SECBINFHSA-N 248.326 2.938 0 40 BFAB CC(C)=CC(=O)N[C@@H](C)c1cccc(F)c1 33028247 AHDPCMLOXSTVOZ-JTQLQIEISA-N 221.275 2.969 0 40 BFAB NC(=O)Cc1ccc(Oc2ccccc2)cc1 34768912 GJNSONABRYVHBR-UHFFFAOYSA-N 227.263 2.507 0 40 BFAB N=C(N)Nc1ccc(OCc2ccccc2)cc1 34936090 QDBVHKSIRVWEEF-UHFFFAOYSA-N 241.294 2.571 0 40 BFAB Cc1ccccc1CN[C@H](C)CN1CCCCC1 35258864 BXRPUXRLIZFDTP-OAHLLOKOSA-N 246.398 2.959 0 40 BFAB CCc1ccc(C(=O)N[C@@H](C)C(C)C)o1 36395989 XXJORUJHLMBLSX-VIFPVBQESA-N 209.289 2.616 0 40 BFAB O=Cc1ccccc1-c1ccnc(Cl)n1 38580112 JXGUITKTLWAVEC-UHFFFAOYSA-N 218.643 2.610 0 40 BFAB CCOC(=O)[C@H]1C[C@@H]1c1ccccc1C 39321473 DSCOQCBAVINWIM-NEPJUHHUSA-N 204.269 2.662 0 40 BFAB O=C(C1CC1)N1CCC[C@@H]1c1ccsc1 46912565 VNWQGEQOMZKDMR-LLVKDONJSA-N 221.325 2.822 0 40 BFAB O=C(Nc1ccc2nccnc2c1)C1CCCC1 47179029 KFBWDUKTTFDFIG-UHFFFAOYSA-N 241.294 2.759 0 40 BFAB CCNC(=O)N1CCC[C@@H]1c1cccc(C)c1 48650990 SSAHTJLWFCAMKJ-CYBMUJFWSA-N 232.327 2.861 0 40 BFAB CNC(=O)CCc1ccc2ccccc2c1 48693626 GRHYBFVRZHUOCW-UHFFFAOYSA-N 213.280 2.518 0 40 BFAB CCOC(=O)CCCSc1nc(C)cs1 58930091 PKPTVGFOSUHZTA-UHFFFAOYSA-N 245.369 2.887 0 40 BFAB CNC(=O)c1cccc(O[C@H]2C=CCCC2)c1 69629172 VCHABDIAPAOQDV-LBPRGKRZSA-N 231.295 2.534 0 40 BFAB CNC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl 71895987 QSSKDZHXZOHFBL-SFYZADRCSA-N 244.121 2.843 0 40 BFAB CO[C@@H](C)c1ccc([C@H](C)C(=O)O)cc1 72220137 VMUCNJMJEDTACK-IUCAKERBSA-N 208.257 2.582 0 40 BFAB CSc1ccc([C@H](N)c2ccccc2)cn1 72225093 SBWFGOSLVRHKDT-CYBMUJFWSA-N 230.336 2.852 0 40 BFAB CSc1nc(Cl)cc(-c2cccnc2)n1 78400856 AHDFNMBOEAUCLQ-UHFFFAOYSA-N 237.715 2.914 0 40 BFAB CC[C@@H](C)C(=O)N[C@H](C)c1csc(C)n1 78562716 DZXJOMHXXHNVRA-HTQZYQBOSA-N 226.345 2.675 0 40 BFAB CC[C@@H](C)CN(C)C(=O)NCc1ccsc1 78924934 YWGSWTZIPSWCIN-SNVBAGLBSA-N 240.372 2.936 0 40 BFAB O=C(O)c1c(Cl)ncc2c1CCCCC2 83048828 OKOUWNBPIGUDGX-UHFFFAOYSA-N 225.675 2.702 0 40 BFAB COc1cc(C)c(Br)cc1C(C)=O 83825897 PCERGRDDOSAVTM-UHFFFAOYSA-N 243.100 2.969 0 40 BFAB C[C@H]1CCC(=O)[C@H](Cc2ccccn2)C1 86355131 XDHBCLWRQHBOKK-QWRGUYRKSA-N 203.285 2.629 0 40 BFAB CCOC(=O)c1cc(-c2ccccc2)c[nH]1 95642129 LZIPFRQBFFKOTK-UHFFFAOYSA-N 215.252 2.858 0 40 BFAB in-vitro Cc1ccc(C(=O)c2ccccn2)cc1F 95728229 VAGAPTQRVOXRAU-UHFFFAOYSA-N 215.227 2.760 0 40 BFAB Clc1nc(Cl)c2[nH]cc(Cl)c2n1 95930356 YKSHOCBYNLDZIM-UHFFFAOYSA-N 222.462 2.918 0 40 BFAB Cc1nc(Cl)c2[nH]cc(Br)c2n1 95930359 BWUWBHPAFDXGMT-UHFFFAOYSA-N 246.495 2.682 0 40 BFAB O=C(O)c1sc(Cl)cc1OC(F)F 96510910 GSPAPGMVKDDJKB-UHFFFAOYSA-N 228.603 2.701 0 40 BFAB CCC(=O)CC(=O)c1ccc(Cl)s1 101869723 QIGBVCLJDCQEQI-UHFFFAOYSA-N 216.689 2.953 0 40 BFAB CO[P@@]1(=O)C[C@@H]2C(Cl)(Cl)[C@@]2(C)C1 102916815 QRKRKVKQGRLRPQ-WPOIXZHQSA-N 229.043 2.735 0 40 BFAB Cc1c(Br)ccc(CO)c1C 215753483 CHLLFZGKCZTPIY-UHFFFAOYSA-N 215.090 2.558 0 40 BFAB COc1ccc2nc(Cl)c(O)cc2c1 218693374 PAVRMJGYOKCEDJ-UHFFFAOYSA-N 209.632 2.602 0 40 BFAB CCC(=O)Nc1ccc(N2CCCCC2)c(N)c1 226262728 DBTCCBMUAHPAAG-UHFFFAOYSA-N 247.342 2.608 0 40 BFAB CCC(=O)NCc1ccc(-c2ccoc2)o1 575611388 UZCSUUAWQZQPFZ-UHFFFAOYSA-N 219.240 2.566 0 40 BFAB Cc1c(Cl)cccc1N[C@@H]1CC[C@@H]1O 585298783 HCWNHESFOLHZHO-MNOVXSKESA-N 211.692 2.584 0 40 BFAB Cc1coc(C(=O)N[C@H](C)c2cscn2)c1 718537779 ITEDSGMNGQAMJM-MRVPVSSYSA-N 236.296 2.536 0 40 BFAB O=C1Nc2ccc(C(F)(F)F)cc2CO1 953104662 NJTZGYQUEMADLV-UHFFFAOYSA-N 217.146 2.768 0 40 BFAB C/C=C\C(=O)OCC(C)(C)C(F)(F)F 1083809120 IYLMXZGCQZFVEK-PLNGDYQASA-N 210.195 2.694 0 40 BFAB C[C@H]1CN=C(Nc2ccc(F)cc2F)S1 86387 RKBGXRCEDPWMPG-LURJTMIESA-N 228.267 2.868 0 40 BFAB C[C@H](CNCc1ccccc1)C(=O)OC(C)(C)C 1613184 RFKHZTRHESXVAX-GFCCVEGCSA-N 249.354 2.754 0 40 BFAB CCCN[C@H](C)C(=O)Nc1cccc(Cl)c1 3296813 SOCWAALQOSBVIF-SECBINFHSA-N 240.734 2.667 0 40 BFAB in-vitro CCCOc1c(C=O)cccc1OCC 3887665 NGLILBQTESXZCG-UHFFFAOYSA-N 208.257 2.687 0 40 BFAB in-vitro COC(=O)Nc1cc2c3c(c1)CCCN3CCC2 5160444 VIGWHXBGCBEOBU-UHFFFAOYSA-N 246.310 2.564 0 40 BFAB O=C1CCCC/C(=C/c2ccccc2)N1 5888076 ZYPJMOWTDLAPDX-BENRWUELSA-N 201.269 2.718 0 40 BFAB Cc1ccc(/C=C2/SC(=O)N(C)C2=O)s1 6478438 XOPKGQCGDPALEV-VMPITWQZSA-N 239.321 2.723 0 40 BFAB N[C@@H](Cc1ccccc1O)c1ccccc1 6582118 GULLNMADOBXKMH-ZDUSSCGKSA-N 213.280 2.635 0 40 BFAB N[C@H](c1ccc(Cl)cc1)c1ccccn1 11737312 VUJAPENWAJMJON-GFCCVEGCSA-N 218.687 2.783 0 40 BFAB Cc1nc(Cl)c(N)c(NC2CCCCC2)n1 12741219 APWQYNLYQDPBEA-UHFFFAOYSA-N 240.738 2.765 0 40 BFAB Cc1ccc(SCC(=O)N2CCC2)c(C)c1 12913961 BZNAHBHNPNQQJC-UHFFFAOYSA-N 235.352 2.628 0 40 BFAB Cc1ccc(NC(=O)[C@H]2CC=CCC2)c(O)c1 13023068 UHELKILJHVKBMF-NSHDSACASA-N 231.295 2.995 0 40 BFAB Cc1coc2c(C)c3o/c(=N/N)cc(C)c3cc12 13656311 WNPNRTVKWUOLBT-FOWTUZBSSA-N 242.278 2.879 0 40 BFAB CCc1ccccc1OCC1CCNCC1 14631434 SIWFDPQWVCNYFU-UHFFFAOYSA-N 219.328 2.627 0 40 BFAB Nc1ccccc1N1CCc2sccc2C1 21963288 TUIAVZZPRHDEMY-UHFFFAOYSA-N 230.336 2.893 0 40 BFAB in-vitro C[C@H](Oc1ccc2ccccc2c1C=O)C(=O)O 26506138 ANPLFFDSGDNJIK-VIFPVBQESA-N 244.246 2.504 0 40 BFAB C[C@@H]1SCCN1C(=O)Nc1ccccc1 28232214 KWXIMEFYCLPUIQ-VIFPVBQESA-N 222.313 2.613 0 40 BFAB O=C(C[C@@H]1C=CCC1)NCCc1ccccc1 39978428 UILYKNRQLDDCAP-CQSZACIVSA-N 229.323 2.702 0 40 BFAB C[C@H](Cc1ccco1)NC(=O)C1CCCC1 40050125 ZUTFXBSEUOIYDS-SNVBAGLBSA-N 221.300 2.517 0 40 BFAB Cc1occc1C(=O)N(Cc1ccco1)C1CC1 40060357 XQFIEHZTJATFES-UHFFFAOYSA-N 245.278 2.986 0 40 BFAB CCC(=O)N1CCO[C@H](c2ccc(CC)cc2)C1 41380453 ZQPHTOHYSCGCLY-AWEZNQCLSA-N 247.338 2.559 0 40 BFAB Clc1cccc(NCc2cccnc2)n1 42784037 HVZXGXWRRVBSFA-UHFFFAOYSA-N 219.675 2.742 0 40 BFAB in-vitro COc1ccc(SC[C@@H]2CCCNC2)cc1 43471600 UAXBHFRTLOVVCR-LLVKDONJSA-N 237.368 2.787 0 40 BFAB Cc1cc(C(=O)c2ccc(F)c(F)c2)ccn1 45038588 CMSRNGHQVCPTRK-UHFFFAOYSA-N 233.217 2.899 0 40 BFAB CCCNC(=O)NCc1nc2ccccc2s1 48234476 ZBGADSQDMIGSGU-UHFFFAOYSA-N 249.339 2.506 0 40 BFAB OCCCN1CCC[C@H]1c1ccccc1Cl 52211192 DVPLQDGEOIRHTQ-ZDUSSCGKSA-N 239.746 2.859 0 40 BFAB CCC[C@@H](C)Nc1ccc(N)cc1C(=O)O 58013966 LFSMKJZFWNQAOI-MRVPVSSYSA-N 222.288 2.568 0 40 BFAB CCn1cc(NC(=O)c2cc(C)sc2C)cn1 58401483 JRSFZPWLPCVPBE-UHFFFAOYSA-N 249.339 2.834 0 40 BFAB CCc1ccc(OC)c(C(=O)NC2CCCC2)c1 72206518 PISBWDUBADZFSD-UHFFFAOYSA-N 247.338 2.930 0 40 BFAB Cc1cc(C)c2[nH]c(C(F)(F)F)nc2n1 72220879 HYRPJQGOHKGEDB-UHFFFAOYSA-N 215.178 2.594 0 40 BFAB CCc1ccc2nc(C(=O)O)cc(OC)c2c1 72221267 HGLIPEJCHCJBKT-UHFFFAOYSA-N 231.251 2.504 0 40 BFAB OCCCCCCN1CCc2ccccc2C1 75105534 JVKCMIBKSSNORG-UHFFFAOYSA-N 233.355 2.597 0 40 BFAB CCN(C)C(=O)Nc1cccc2cccnc12 75126731 USPSKTFSCFECKX-UHFFFAOYSA-N 229.283 2.718 0 40 BFAB C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCS1 82337157 PMOZJGGKZVTQIS-ZWNOBZJWSA-N 247.363 2.860 0 40 BFAB C[C@H]1CCc2nc(Cl)nc(Cl)c2C1 84123203 UIZDLYYZZKWFNH-YFKPBYRVSA-N 217.099 2.908 0 40 BFAB Cc1ccoc1[C@@H](C)NC[C@@H](O)CC(C)C 90061977 FOFQWNZGXXGCLW-NEPJUHHUSA-N 225.332 2.646 0 40 BFAB C[C@@H]1CCC[C@@H]1N(CCO)Cc1ccsc1 95457076 HVQWDAHZWDCHGU-YPMHNXCESA-N 239.384 2.731 0 40 BFAB CCOc1c(C(=O)O)oc2ccc(C)cc12 96510826 XDMGVDJYVOPASA-UHFFFAOYSA-N 220.224 2.838 0 40 BFAB COc1ccc([C@@](C)(O)C2CC2)cc1C 96543332 FJCUWGOTDHTANF-ZDUSSCGKSA-N 206.285 2.621 0 40 BFAB CCn1cc(NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)cn1 106056527 MZQZDYOEBFMIPH-SDDRHHMPSA-N 247.342 2.668 0 40 BFAB CC[C@H](O)CN[C@@H](C)[C@H](C)c1ccccc1 108469535 PXEKSGOZQYXUGP-OBJOEFQTSA-N 221.344 2.539 0 40 BFAB OC[C@@H]1CCC[C@]12CCN(Cc1ccccc1)C2 110915412 RGBDVMIZXARMHK-JKSUJKDBSA-N 245.366 2.671 0 40 BFAB Cc1ccc([C@H](C)NCc2noc(C(C)C)n2)o1 182573329 VKCRFHXZTNJVMQ-JTQLQIEISA-N 249.314 2.945 0 40 BFAB CC[C@H](C)[C@@H](C)Nc1ccc(C)c(C(N)=O)c1 183118556 VILPLOQHVAMABN-GXSJLCMTSA-N 234.343 2.940 0 40 BFAB COP(=N[Si](C)(C)C)(OC)OC 195464497 IRIBUBGNSAFORU-UHFFFAOYSA-N 211.274 2.707 0 40 BFAB Cc1ccc(CN2CCN[C@H]3CCCC[C@H]32)cc1 218829727 VHXZCDVILTXYHM-JKSUJKDBSA-N 244.382 2.711 0 40 BFAB CCCN(c1c(C)cccc1C)[C@H](C)C(=O)O 260677461 FWSDISIEUNGSKS-GFCCVEGCSA-N 235.327 2.993 0 40 BFAB CC(C)Cn1ccc(COCC(F)(F)F)n1 408716606 OTLOVKYDDWQSCZ-UHFFFAOYSA-N 236.237 2.618 0 40 BFAB O=C1NC(=S)/C(=C/Nc2ccccc2)S1 618254965 LGPFOZQMCHENLF-VURMDHGXSA-N 236.321 2.724 0 40 BFAB O=C(O)c1ccc(Oc2ccccc2)o1 152762 QQKXTFLRAZKJJO-UHFFFAOYSA-N 204.181 2.770 0 40 BFAB in-vitro Cc1cc(C(=O)Nc2ccc3[nH]ccc3c2)no1 155226 VJGHVVSAQTZVLK-UHFFFAOYSA-N 241.250 2.717 0 40 BFAB Cc1ccc(Nc2cc(=S)[nH]c(N)n2)cc1 1681561 LMMCQIJFADFCAM-UHFFFAOYSA-N 232.312 2.773 0 40 BFAB CC(C)OC(=O)Nc1cc(F)ccc1F 1682757 INXPZQXLEDUJKN-UHFFFAOYSA-N 215.199 2.922 0 40 BFAB O=C(O)CCCCC(=O)c1cc(F)ccc1F 2378725 RYRPNTINJIILJU-UHFFFAOYSA-N 242.221 2.793 0 40 BFAB NNc1cc(F)c(C(F)(F)F)c(F)c1Cl 2540179 QGFFAYVDQOAIKI-UHFFFAOYSA-N 246.566 2.923 0 40 BFAB Cc1ccccc1S(=O)(=O)Nc1ccccc1 3159797 KLWUWNHLZITTHU-UHFFFAOYSA-N 247.319 2.796 0 40 BFAB O=C(Nc1ccc2c(c1)CCC2)c1ccccn1 3314302 UTXITRJDYLLABO-UHFFFAOYSA-N 238.290 2.823 0 40 BFAB CC[C@H](O)[C@H](C[C@@H](C)N(C)C)c1ccccc1 4692418 KSDALSCOLZNRQY-YUELXQCFSA-N 235.371 2.881 0 40 BFAB Cc1cc(O)c2c3c(c(=O)oc2c1)CC[C@@H](C)C3 6521482 WPWQMODURBITKV-MRVPVSSYSA-N 244.290 2.932 0 40 BFAB Sc1ncc(-c2nc3ccccc3o2)cn1 6536722 OYZRHZIMFNNZFP-UHFFFAOYSA-N 229.264 2.574 0 40 BFAB Cc1ccc(-c2nc(CO)c3ccccn23)cc1 12249760 PPPPONIEANECIE-UHFFFAOYSA-N 238.290 2.802 0 40 BFAB Cc1ccc(C(=O)Nc2ccccc2)cn1 13015437 DKFVBHUIGYTGPJ-UHFFFAOYSA-N 212.252 2.642 0 40 BFAB NCc1cccc(COC2CCCCC2)c1 19256266 ZWAWMABHDFAJPK-UHFFFAOYSA-N 219.328 2.995 0 40 BFAB in-vitro CCN(Cc1ccccc1)C[C@@H]1CCCNC1 20270220 XVMDVZQLPOVYQP-OAHLLOKOSA-N 232.371 2.508 0 40 BFAB COc1ccc2c(C3CCNCC3)c[nH]c2c1 26894284 LFUUNULPDOHJJW-UHFFFAOYSA-N 230.311 2.644 0 40 BFAB CC(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 36941054 IRIOEMMJIXANPY-UHFFFAOYSA-N 219.284 2.874 0 40 BFAB CC[C@@H](O)Cc1ccc(Br)cc1 37464608 BFQNYWQZYFKMRC-SNVBAGLBSA-N 229.117 2.763 0 40 BFAB CCc1cc(C)c(Br)cn1 39100625 XNCDFLWWWSYVGR-UHFFFAOYSA-N 200.079 2.715 0 40 BFAB Fc1ccc(-c2nc([C@@H]3CCCCN3)no2)cc1 40443338 VLYIBRPEPMWVIG-NSHDSACASA-N 247.273 2.690 0 40 BFAB CC(C)(C)c1cnc(CN2CCCC2)o1 41362236 VNPVNJQNYVUNFM-UHFFFAOYSA-N 208.305 2.568 0 40 BFAB C[C@@H]1CCCN([C@](C)(C(=O)O)c2ccccc2)C1 41843358 YKRHXZCFHDLDLJ-DOMZBBRYSA-N 247.338 2.718 0 40 BFAB CCC(C)(C)NC(=O)Cc1ccccc1F 41864313 KMMXHZIHPMPJGY-UHFFFAOYSA-N 223.291 2.673 0 40 BFAB CC(C)[C@@](C)(O)c1ccc(F)c(F)c1 55236784 AXHARHIOEYQEOU-LLVKDONJSA-N 200.228 2.828 0 40 BFAB CCC(C)(C)C(=O)NCc1ccc(F)cc1 71415907 WLBGIZTWUYMRDT-UHFFFAOYSA-N 223.291 2.878 0 40 BFAB Brc1ccn(C2CCCC2)n1 72339561 UXCZGGAGFUPOOZ-UHFFFAOYSA-N 215.094 2.761 0 40 BFAB Cc1cccc([C@H]2CCCN2c2ncccn2)n1 72357266 IGDVOFZTVJVUHJ-CYBMUJFWSA-N 240.310 2.522 0 40 BFAB CCc1nc(Cl)c(CC)c(Cl)n1 82473954 CZYKKFVBOLHIHQ-UHFFFAOYSA-N 205.088 2.908 0 40 BFAB Cc1ccc(C2(NC(=O)OC(C)(C)C)CC2)nc1 83351167 QEWGRFUIZZAYLP-UHFFFAOYSA-N 248.326 2.904 0 40 BFAB CNCc1ccc(Br)c(Cl)c1 83361659 GCDKDEHTKSTGIM-UHFFFAOYSA-N 234.524 2.822 0 40 BFAB CCOC(=O)c1c(Cl)cc(N)cc1Cl 88190258 QLGVCEQICRBYKK-UHFFFAOYSA-N 234.082 2.752 0 40 BFAB O=C(NC1CC1)N[C@@H](c1ccc(F)cc1)C1CC1 89782806 GNTHUFORHKLHLX-CYBMUJFWSA-N 248.301 2.738 0 40 BFAB COC(=O)c1cc2cc(F)cc(F)c2s1 91696099 HNNKYRXXKVKBDG-UHFFFAOYSA-N 228.219 2.966 0 40 BFAB CN(CCSc1cnccn1)c1ccccc1 95414711 UHXNCLRCDMTHFQ-UHFFFAOYSA-N 245.351 2.705 0 40 BFAB CCc1ccccc1C(=O)CCCC(=O)O 95634282 NHCKPVDVKZLDMV-UHFFFAOYSA-N 220.268 2.687 0 40 BFAB Cc1ccc2nc(Br)[nH]c2c1 95836369 JKSVPXYIGJVCNA-UHFFFAOYSA-N 211.062 2.634 0 40 BFAB COC(=O)c1ccc2c(C)c(OC)ccc2c1 96527999 PFHAXXHOTWOUHS-UHFFFAOYSA-N 230.263 2.943 0 40 BFAB O=C(CC[C@H]1CCCO1)OC[C@H]1CC=CCC1 97213156 AWIUNVJQQPDLIL-QWHCGFSZSA-N 238.327 2.845 0 40 BFAB CCOC1(OCC)C[C@H]2[C@@H]1[C@@H]1CC[C@@H]2C1 101045011 CXXNIJGNUVQONK-KKOKHZNYSA-N 210.317 2.822 0 40 BFAB C[C@H](OC(=O)C1CC1)c1nc2ccccc2[nH]1 102131109 XZWBBVGVTQIZLM-QMMMGPOBSA-N 230.267 2.577 0 40 BFAB C[C@@H](O)CN[C@@H]1C[C@H](c2ccccc2)C1(C)C 123674945 OKHGITDXBGVGTH-MRVWCRGKSA-N 233.355 2.539 0 40 BFAB CC1(C)CCc2cc(C(=O)O)c(Cl)nc2C1 1535543631 KWDHHKLQLVJFJT-UHFFFAOYSA-N 239.702 2.948 0 40 BFAB O=C(O)C=Cc1cccc(OC(F)(F)F)c1 1857776759 CLKZZEYGXRWYNI-UHFFFAOYSA-N 232.157 2.683 0 40 BFAB C[C@@H]1CC(C)(C)N(C=O)c2ccccc21 270698 VYMRKPSUCXMRGB-SNVBAGLBSA-N 203.285 2.935 0 40 BFAB biogenic CCC(=O)NC(=S)Nc1c(C)cccc1C 341960 WYQYLOOFIRNJBM-UHFFFAOYSA-N 236.340 2.526 0 40 BFAB OCc1ccc(-c2ccccc2F)cc1 1257307 WABWIEVUZWQZLC-UHFFFAOYSA-N 202.228 2.985 0 40 BFAB COC(=O)c1ccc(-c2ccco2)cc1 2525673 HKQMVHPPFPRKLC-UHFFFAOYSA-N 202.209 2.733 0 40 BFAB COC(=O)c1ccc(-c2ccc(N)cc2C)o1 4245234 HVPDXTDPEFQPKB-UHFFFAOYSA-N 231.251 2.624 0 40 BFAB CSc1cccc(C(=O)Nc2cc(C)on2)c1 4517535 HQPKXBLACSZBFS-UHFFFAOYSA-N 248.307 2.957 0 40 BFAB O=C(CCc1ccsc1)Nc1nccs1 7210275 GRVUGMZPXLFBJV-UHFFFAOYSA-N 238.337 2.776 0 40 BFAB Cc1ccccc1-c1ncc(/C=C/C(=O)O)cn1 8730968 KRGNPOFLHCWGFH-VOTSOKGWSA-N 240.262 2.550 0 40 BFAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)O 12437242 CILPHQCEVYJUDN-MXWKQRLJSA-N 214.305 2.548 0 40 BFAB Cc1cccc(C(=O)NCc2cccnc2)c1C 12538180 UPCXMIUZJYRHKT-UHFFFAOYSA-N 240.306 2.628 0 40 BFAB O=C(NCc1ccccc1)c1ccsc1 16740025 XOKGTSIZQGDDIQ-UHFFFAOYSA-N 217.293 2.678 0 40 BFAB COc1ccccc1O[C@H](C)CNC(C)(C)C 19737843 HHDLYSFZKOAIEK-LLVKDONJSA-N 237.343 2.851 0 40 BFAB C[C@@H](Sc1ccc(F)c(F)c1)C(=O)O 21957025 PNNMSUWYKMPZJP-RXMQYKEDSA-N 218.224 2.530 0 40 BFAB Cc1cc2c(cc1C)[C@H](NC1CC1)CCO2 35653499 FTXIDCPLHNXGCH-CYBMUJFWSA-N 217.312 2.879 0 40 BFAB in-vitro C=CC(=O)Nc1ccc(C(F)(F)F)cc1 36334217 ZPVTVYQBEBQWPK-UHFFFAOYSA-N 215.174 2.830 0 40 BFAB CNC(=O)[C@@H](C)Sc1ccc(C)c(C)c1 40464744 ZCRGTTQGQVXPJJ-SNVBAGLBSA-N 223.341 2.530 0 40 BFAB Cc1ccccc1NC(=O)CC[C@H]1CCCO1 40505835 RKDFEQOROIDRAW-GFCCVEGCSA-N 233.311 2.893 0 40 BFAB CCOC(=O)CCC(=O)c1cccc(F)c1C 43214446 IBVSHZSWVGWPND-UHFFFAOYSA-N 238.258 2.660 0 40 BFAB NC[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 54561852 YOWILGGJTLQJCW-WCBMZHEXSA-N 215.218 2.768 0 40 BFAB CNC[C@@H]1C[C@@]1(C)c1ccccc1Cl 54590105 CAFGHEVVMLHRPY-JOYOIKCWSA-N 209.720 2.837 0 40 BFAB Cc1ccc(C(=O)N[C@@H](C)C(C)C)cc1 57159813 MWPFRJUBLWMJQP-NSHDSACASA-N 205.301 2.769 0 40 BFAB c1ccc(CNCc2ccc3cn[nH]c3c2)cc1 61669970 WMUXIXDYCLNADR-UHFFFAOYSA-N 237.306 2.853 0 40 BFAB Nc1[nH]nc(-c2cccc(C(F)(F)F)c2)c1F 63110820 DXUUYLPXUMGOGX-UHFFFAOYSA-N 245.179 2.817 0 40 BFAB Cc1cccc([C@H]2CCCN(C(=O)C(C)C)C2)n1 72361233 IBLQGKYLEOHFKC-ZDUSSCGKSA-N 246.354 2.752 0 40 BFAB CC[C@@H](C)S(=O)(=O)Nc1cc(C)ccc1C 75106587 PXLBOEVVRKJRND-LLVKDONJSA-N 241.356 2.844 0 40 BFAB CCOC(OCC)c1cc(-c2ccncc2)[nH]n1 78210641 FBACWEBHVJNAHM-UHFFFAOYSA-N 247.298 2.543 0 40 BFAB in-vitro Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N(C)C)c1 78984773 KBGQTXIGILVWCI-GFCCVEGCSA-N 249.354 2.974 0 40 BFAB Cc1ccc(CNc2cnccc2CO)c(C)c1 89613901 HKMRWUYUNVPRGH-UHFFFAOYSA-N 242.322 2.803 0 40 BFAB CC[C@@H]1COC2(CCN(CC3CC3)CC2)C1 96072961 ZMFHFIMSARTLDO-LBPRGKRZSA-N 223.360 2.678 0 40 BFAB Cn1ccc2c([C@@H]3CCCN3)cccc21 96509767 QFTLZTNNJWGNQB-LBPRGKRZSA-N 200.285 2.603 0 40 BFAB CO[C@@H](C)c1nc(N)cc(C2CCCCC2)n1 96529218 WNBAEHXKCHIIBF-VIFPVBQESA-N 235.331 2.814 0 40 BFAB CCOC(=O)/C=C(\C)Nc1ccc(F)cc1 100041165 BUDOLSNUNUYBLF-CMDGGOBGSA-N 223.247 2.705 0 40 BFAB O=C(NCc1ccccc1F)[C@H]1C[C@H]2C=C[C@H]1C2 102261012 LPJKSBAHOMPAIK-GVXVVHGQSA-N 245.297 2.654 0 40 BFAB C[S@](=N)(=O)c1ccc2ccccc2c1 118547190 XVBDOFCDVNRSGR-AWEZNQCLSA-N 205.282 2.875 0 40 BFAB COc1cccc2c1CCC[C@]2(O)C(F)(F)F 222005076 XGBSBGZZAIWNOB-LLVKDONJSA-N 246.228 2.781 0 40 BFAB CCCO[C@H](Cc1ccccc1Cl)C(=O)O 225057580 OAURDKYNHIYGTD-LLVKDONJSA-N 242.702 2.762 0 40 BFAB CC1=CCC[C@H](C)[C@@H]1CN1CC[C@@H]([C@@H](C)O)C1 249085829 MPDKATDRFAEOKI-GBJTYRQASA-N 237.387 2.682 0 40 BFAB Cc1ccc(CNc2cncc(F)c2)nc1 300803048 BBEQGKYRCKVIJQ-UHFFFAOYSA-N 217.247 2.536 0 40 BFAB Cn1c(C(N)=O)cc2ccc(C(C)(C)C)cc21 408712504 YCQWJHLVDIENCQ-UHFFFAOYSA-N 230.311 2.575 0 40 BFAB CCOC(=O)/C=C/c1c[nH]c2ccccc12 156668 OQJSITNIWIYWPU-BQYQJAHWSA-N 215.252 2.744 0 40 BFAB CCOc1ccc(C(=O)Nc2ccccn2)cc1 482849 NVKWJNMYTIXOHP-UHFFFAOYSA-N 242.278 2.733 0 40 BFAB CCOC(=O)OC/C=C/c1ccccc1 1656075 WYLLQLJZPWNHMA-RMKNXTFCSA-N 206.241 2.873 0 40 BFAB O=C(O)c1cc(C(F)(F)F)c(F)c(F)c1F 2540465 NNKFOZUNROTKBO-UHFFFAOYSA-N 244.090 2.821 0 40 BFAB CCNC(=S)Nc1c(C)cc(C)cc1C 6205790 LASXURNQCZLTLK-UHFFFAOYSA-N 222.357 2.918 0 40 BFAB O=C(Nc1cccnc1)Nc1ccccc1F 13199520 UOACMFNQMPEHLE-UHFFFAOYSA-N 231.230 2.865 0 40 BFAB Cn1c(-c2ccc(F)cc2)cnc1S 13564051 SDKOKJZNKZANNR-UHFFFAOYSA-N 208.261 2.515 0 40 BFAB Nc1cc(Cl)ccc1OC[C@H]1CCCCO1 14629351 DWXJHRYYUSBBHE-SNVBAGLBSA-N 241.718 2.870 0 40 BFAB CCOc1cc(Cl)c(CO)cc1OCC 15416399 FLZABLROQKNURA-UHFFFAOYSA-N 230.691 2.630 0 40 BFAB C[C@@H]1CCCC[C@H]1NC(=O)c1cccc(N)c1 19259907 FMYFNURJMSQINX-ZWNOBZJWSA-N 232.327 2.577 0 40 BFAB CCCCOc1ccc(CNCCOC)cc1 20085569 VBXSYOBHZDYTLX-UHFFFAOYSA-N 237.343 2.602 0 40 BFAB CCOc1cc(C(=O)O)ccc1O[C@@H](C)CC 20217387 OHLVEOUAGHXTCY-VIFPVBQESA-N 238.283 2.961 0 40 BFAB c1cncc(-c2ccn3c(n2)nc2ccccc23)c1 20733116 GUZBPXVJQCPJLK-UHFFFAOYSA-N 246.273 2.945 0 40 BFAB COc1cc([C@H](C)N)ccc1OCC(F)(F)F 22213763 GVWGBJKHORUQNN-ZETCQYMHSA-N 249.232 2.656 0 40 BFAB O[C@H](c1ccccn1)c1ccc2ccccc2n1 27986658 FQHPPAIIRMKDHB-OAHLLOKOSA-N 236.274 2.712 0 40 BFAB CC(C)CNC(=O)[C@H](C)Sc1ccccc1 31866500 VWCDABHXYKNIEX-NSHDSACASA-N 237.368 2.939 0 40 BFAB O=C1c2ccccc2NC2(CCCC2)N1C1CC1 32666150 HODJUZXBEBUBJW-UHFFFAOYSA-N 242.322 2.987 0 40 BFAB CNC(=O)c1cc(C(C)C)nc2ccccc12 32841513 UPXTZBYTAAZBRC-UHFFFAOYSA-N 228.295 2.718 0 40 BFAB Cc1cccc(C(=O)c2ccccc2N)c1 34376560 OMQSFYCLALWVOF-UHFFFAOYSA-N 211.264 2.808 0 40 BFAB Cc1[nH]c([C@H]2CCCN2)nc1-c1ccccc1 36874119 ZWIRDXUIHBOVPW-GFCCVEGCSA-N 227.311 2.810 0 40 BFAB in-vitro O=C1c2cc(Cl)sc2CN2CCCC[C@H]12 40556302 AYWOVIJZTVYYCT-MRVPVSSYSA-N 241.743 2.952 0 40 BFAB CCC[C@H](N)CN(CC(C)C)CC(C)C 42034650 QCVLNHULVOHKBQ-ZDUSSCGKSA-N 214.397 2.728 0 40 BFAB Cc1ccc(C(=O)[C@H]2CC[C@@H](C(=O)O)C2)cc1C 43878991 BYAPPOMPFRZHTN-QWHCGFSZSA-N 246.306 2.987 0 40 BFAB O=C(CC[C@@H]1CCCO1)NC1CCCCCC1 46121942 MRGGHSVKHJJAJX-ZDUSSCGKSA-N 239.359 2.785 0 40 BFAB CCCNC(=O)Nc1cccc(OCC)c1 48118417 FSNMTJPGRIKKNO-UHFFFAOYSA-N 222.288 2.617 0 40 BFAB CNC[C@H]1C[C@@H]1c1ccccc1Br 54588794 ASUJGSATSLOOJP-SCZZXKLOSA-N 240.144 2.772 0 40 BFAB Cc1cc(NC(=S)NC(C)C)ccc1F 60512655 YCKPOQXEKJDUPD-UHFFFAOYSA-N 226.320 2.829 0 40 BFAB Cc1nc(N(C)C)ccc1[C@@H]1CCCCN1C 72218754 GJNNQIXERKLWCK-ZDUSSCGKSA-N 233.359 2.613 0 40 BFAB Cc1cc([C@H](C)N)cnc1NC(C)(C)C 72222933 PUQUQYIMWPTOPB-VIFPVBQESA-N 207.321 2.620 0 40 BFAB Cc1ccc(Nc2cc(=O)[nH]c(=S)[nH]2)cc1C 72226409 CAJOMNSDNHEHNK-UHFFFAOYSA-N 247.323 2.793 0 40 BFAB CCNC(=O)N[C@](C)(CC)c1ccccc1 72271560 CSUHBLJJJOVLPJ-CYBMUJFWSA-N 220.316 2.631 0 40 BFAB OCCc1ccccc1-c1ccc(O)cc1 75856871 WWVBTMRBXDXSKF-UHFFFAOYSA-N 214.264 2.594 0 40 BFAB Oc1cc2c(Br)cccc2cn1 82048392 PEPBAJBUKPWIEN-UHFFFAOYSA-N 224.057 2.703 0 40 BFAB in-vitro O=C1CCc2ccc(Cl)c(Cl)c2N1 82163898 SVKCLUNCNNDCLZ-UHFFFAOYSA-N 216.067 2.878 0 40 BFAB in-vitro CNCc1c(C)n(C)c2ccc(OC(C)C)cc12 82611423 NMQJXFBCKYFJDL-UHFFFAOYSA-N 246.354 2.993 0 40 BFAB C[C@@]1(Cc2cc(F)ccc2F)CCCN1 85698241 HGPDPJOAHAOONS-LBPRGKRZSA-N 211.255 2.649 0 40 BFAB CC(C)c1nsc(N(C)C2CCC2)n1 89893691 QZANITLCBIUVQA-UHFFFAOYSA-N 211.334 2.650 0 40 BFAB CCC(CC)CNC[C@@](C)(O)c1ccco1 95434052 CPAZZUHNPBPAQY-CYBMUJFWSA-N 225.332 2.513 0 40 BFAB COC(=O)C[C@@H](C)CC(=O)c1ccc(F)cc1 95728736 JULGJUBDLVCIHG-VIFPVBQESA-N 238.258 2.598 0 40 BFAB CCOC(=O)[C@H]1CCC[C@H]1Nc1ccccc1 95919674 QGPNXJMZTWTKJY-QWHCGFSZSA-N 233.311 2.830 0 40 BFAB CN(CCC(F)(F)F)C(=O)C[C@@H]1C=CCC1 97680621 RAGMOFVYOSXZFT-SECBINFHSA-N 235.249 2.754 0 40 BFAB CC[C@H](N[C@H](C)c1ccco1)[C@@H]1CCCO1 108328785 AFCLUCZSZRNADU-MDZLAQPJSA-N 223.316 2.888 0 40 BFAB COCOc1cccc(F)c1Br 148421457 TXVXDHNBRRWKMW-UHFFFAOYSA-N 235.052 2.571 0 40 BFAB COCOc1cccc(Cl)c1[Si](C)(C)C 196307248 VJBGEKKQXKDDHL-UHFFFAOYSA-N 244.794 2.868 0 40 BFAB O=C(Nc1ncc(F)cc1F)c1ccccc1 199570613 VGEQKYDFPYLCKC-UHFFFAOYSA-N 234.205 2.612 0 40 BFAB CCC1(NC(=O)OC(C)(C)C)CCC(=O)CC1 217636597 UEXPVZNEVUQHDF-UHFFFAOYSA-N 241.331 2.803 0 40 BFAB CC[C@H]1Cc2[nH]ccc2[C@@H](C(C)C)N1C 223714722 FJMCVKFCWPJSRX-GXFFZTMASA-N 206.333 2.978 0 40 BFAB CC(C)(C)CC1=NN[C@@H]2CC(C)(C)CC(=O)[C@H]12 228932488 LBHKEAOKZBYROH-ZYHUDNBSSA-N 236.359 2.756 0 40 BFAB CC[C@@H](C)n1nccc1CNc1cc(C)n(C)n1 256051956 LGRCVGUVFLBOKJ-SNVBAGLBSA-N 247.346 2.508 0 40 BFAB CCc1c(O)nc2cccc(Cl)c2c1O 685936968 FMPVKWXUXVHSND-UHFFFAOYSA-N 223.659 2.862 0 40 BFAB FC(F)(F)c1cccc(-c2cnon2)c1 953061992 PMESICMKRYQQLO-UHFFFAOYSA-N 214.146 2.755 0 40 BFAB Cc1cc(C(=O)Nc2cscc2Cl)on1 1537295856 ZQVBZWSQWVHDLK-UHFFFAOYSA-N 242.687 2.950 0 40 BFAB O=C(Oc1ccccc1)c1cccs1 140759 BUCUTHKQTIKRHI-UHFFFAOYSA-N 204.250 2.967 0 40 BFAB Cc1ccc(C(=O)CSc2nccn2C)cc1 1506452 GNNBSOAZCBHUEU-UHFFFAOYSA-N 246.335 2.704 0 40 BFAB Clc1ncnc2c1ncn2[C@@H]1CCCS1 2044465 JLBJEKUNNJYHNS-LURJTMIESA-N 240.719 2.505 0 40 BFAB Oc1ccccc1-c1cc(C(F)F)[nH]n1 4625538 VUDKIKARMCJYFB-UHFFFAOYSA-N 210.183 2.720 0 40 BFAB O=C(O)CCCc1ccc2c(c1)CCCC2 4783570 OMWKQAVCNOUAFO-UHFFFAOYSA-N 218.296 2.973 0 40 BFAB CO/C(C)=C/c1sc2ccccc2[n+]1C 5002848 FFSMXCZWMYRICA-CMDGGOBGSA-N 220.317 2.733 0 40 BFAB CN1c2ccccc2C(C)(C)[C@@]12CC=NO2 5500185 SELZFPWJTBQJEE-ZDUSSCGKSA-N 216.284 2.516 0 40 BFAB Cc1ccc(C(=O)NCCCOC(C)C)cc1 8372156 MGZNCYIWTSQBKM-UHFFFAOYSA-N 235.327 2.540 0 40 BFAB CC[C@H](Nc1cccc(Cl)c1)C(=O)O 8730612 RHRQAWVBTNSLOY-VIFPVBQESA-N 213.664 2.615 0 40 BFAB C[C@H]1CCC[C@@H](C)N1NC(=O)Cc1ccccc1 12489160 VSXLRHWWXXDYSN-BETUJISGSA-N 246.354 2.523 0 40 BFAB Cc1cccc(CNC(=O)c2ccc(C)nc2)c1 12900149 KAKKHVBBHNNOTH-UHFFFAOYSA-N 240.306 2.628 0 40 BFAB Cc1sc2ncnc(N3CCC3)c2c1C 12916847 VCGHIWCJAMRTRW-UHFFFAOYSA-N 219.313 2.518 0 40 BFAB COc1ccccc1NC(=S)NC(C)(C)C 13820512 JQEDCHIAIXQAPJ-UHFFFAOYSA-N 238.356 2.780 0 40 BFAB c1ccc2c(OC[C@@H]3CCNC3)cccc2c1 14632431 SKBRHWSRRITDPJ-GFCCVEGCSA-N 227.307 2.828 0 40 BFAB Nc1ccc2nc(-c3ccccc3F)[nH]c2c1 19483409 XMYQNLBFIRSYLL-UHFFFAOYSA-N 227.242 2.951 0 40 BFAB CC[C@@H](C)Nc1cc(OC)ccc1OC 19772379 MGAKTKYWGYHKDA-SECBINFHSA-N 209.289 2.914 0 40 BFAB CCN(C[C@H]1CCCCN1)C1CCCCC1 19808868 YNCHCKQOQFLUGF-CYBMUJFWSA-N 224.392 2.783 0 40 BFAB COc1ccc(Oc2ccc(C=O)o2)cc1 20274357 FGCQINOTAOOCDT-UHFFFAOYSA-N 218.208 2.893 0 40 BFAB CC(C)c1noc(-c2ccc(Cl)nc2)n1 22120397 VQYHFVVYQAFQOF-UHFFFAOYSA-N 223.663 2.908 0 40 BFAB COC(=O)/C=C\c1ccc(Br)s1 32098672 UQYOUWDULIDGLV-HYXAFXHYSA-N 247.113 2.697 0 40 BFAB CC(=O)OCC(=O)c1ccc(C(C)C)cc1 35086951 LGIPGWXOCLGMPW-UHFFFAOYSA-N 220.268 2.556 0 40 BFAB O=C1COc2c(Br)cc(Cl)cc21 35652509 SSONNUKQVUJKHI-UHFFFAOYSA-N 247.475 2.678 0 40 BFAB in-vitro Nc1cc(C(F)(F)F)nn1C1CCCC1 35655645 PHJSEBIKUCZZIZ-UHFFFAOYSA-N 219.210 2.599 0 40 BFAB COc1ccc(Br)cc1[C@H](C)O 36162369 WNRYFLFXINLLKQ-LURJTMIESA-N 231.089 2.511 0 40 BFAB O=C(Nc1cccc2cccnc12)NC1CC1 36179116 UVEPZMSYORCHAA-UHFFFAOYSA-N 227.267 2.519 0 40 BFAB CC(C)N(CCC(=O)O)Cc1ccccc1F 37596020 MYFAEOALIQLSPW-UHFFFAOYSA-N 239.290 2.511 0 40 BFAB CC(C)CC(=O)N1CCc2sccc2C1 40485580 AAGSFOHNAMBZTM-UHFFFAOYSA-N 223.341 2.679 0 40 BFAB O=C(CC[C@@H]1CCCO1)Nc1ccccc1F 40505936 AXNFBVXINRMXDW-JTQLQIEISA-N 237.274 2.723 0 40 BFAB O=Cc1cnc(-c2c(F)cccc2F)s1 40996396 DALGECSTWYGKIY-UHFFFAOYSA-N 225.219 2.901 0 40 BFAB C[C@@H]1C[C@@H](C)CN(C(=O)Nc2nccs2)C1 42652124 TYGHVSXSDWGKSL-RKDXNWHRSA-N 239.344 2.653 0 40 BFAB Cc1ccc(C(=O)C[C@H](C)CC(=O)O)cc1C 43214304 PHIVZYIHGJWKOG-VIFPVBQESA-N 234.295 2.987 0 40 BFAB COCc1ccccc1NC(=O)CC(F)(F)F 46933416 JVOXMHSMWZWEFL-UHFFFAOYSA-N 247.216 2.724 0 40 BFAB CC(C)CCNC(=O)Cc1ccccc1F 47650760 AFRIXIZJSDUYNM-UHFFFAOYSA-N 223.291 2.531 0 40 BFAB O=C(CCc1cccc(Cl)c1)Nc1cc[nH]n1 49449887 BXHZGGRSKWVTHF-UHFFFAOYSA-N 249.701 2.634 0 40 BFAB O=C(O)c1ccc(Oc2cccc(F)c2)o1 50907460 DVNAKJNLKIQPCZ-UHFFFAOYSA-N 222.171 2.909 0 40 BFAB Cc1ccccc1CN[C@H](C)[C@H](C)n1cccn1 69372255 VTZHRMQIAUFTNW-KGLIPLIRSA-N 243.354 2.931 0 40 BFAB CN(CCC1CCCCC1)C(=O)c1ccon1 72072743 CNCLBGOKUXFRLX-UHFFFAOYSA-N 236.315 2.717 0 40 BFAB CCOc1ncc([C@H](O)c2ccccc2)cc1C 72222095 OBWAAGSISLEPMD-CQSZACIVSA-N 243.306 2.870 0 40 BFAB COc1cc(C(=O)O)cc2ccccc12 75602280 ZXDDPENMDIVYGR-UHFFFAOYSA-N 202.209 2.547 0 40 BFAB C[C@@H]1CCC[C@H](OCC(=O)N2CCCCC2)C1 89927334 AMKNCCICPVHDHK-OLZOCXBDSA-N 239.359 2.594 0 40 BFAB CCNCc1cccn1Cc1ccc(C)cc1 90996047 YBCNPRGDAXIDBP-UHFFFAOYSA-N 228.339 2.954 0 40 BFAB Cc1cnn(-c2cccc(N3CCCCC3)n2)c1 95418158 WIUJOQLFAIBPOV-UHFFFAOYSA-N 242.326 2.566 0 40 BFAB O[C@H]1CCc2ccc(C(F)(F)F)cc21 95835665 JAICRPHZHDNVQL-VIFPVBQESA-N 202.175 2.685 0 40 BFAB in-vitro CC(C)CCn1ccc(N[C@H]2CCSC2)n1 96494914 CADKJTJCPGGBEI-NSHDSACASA-N 239.388 2.847 0 40 BFAB CC(C)CN1c2ccccc2CC[C@H]1C(=O)O 96510395 TWOYZFMMQGIAIY-ZDUSSCGKSA-N 233.311 2.548 0 40 BFAB CC[C@@H](O)Cc1ccc(F)c(Cl)c1 96543487 GQZMPFYBESSOJA-MRVPVSSYSA-N 202.656 2.793 0 40 BFAB c1ccc(CN2[C@@H]3CC[C@@H]2c2cn[nH]c2C3)cc1 100225929 IOCBRZYCDNTMQH-IUODEOHRSA-N 239.322 2.672 0 40 BFAB Cc1n[nH]c2ccc(Br)c(F)c12 167540030 DESNPJVSMWSJOX-UHFFFAOYSA-N 229.052 2.773 0 40 BFAB Nc1cc(-c2ccc(F)c3ccccc23)[nH]n1 199792850 ZGTGIAROHYXWEF-UHFFFAOYSA-N 227.242 2.951 0 40 BFAB CC(C)O[C@H](Cc1cccc(Cl)c1)C(=O)O 220801362 YMKACBRRHFRNMS-LLVKDONJSA-N 242.702 2.761 0 40 BFAB CCCN(c1ccccc1F)[C@@H](C)C(=O)O 224986805 YVDIEHUWHWQVLB-VIFPVBQESA-N 225.263 2.515 0 40 BFAB CCn1nc(C)cc1NCc1ccccc1OC 256055004 YSWFWELXFZVOEX-UHFFFAOYSA-N 245.326 2.832 0 40 BFAB CCC(=O)c1cc(F)cc(F)c1OC 307194017 OMXWJJXBACHCND-UHFFFAOYSA-N 200.184 2.566 0 40 BFAB Cc1cnc(N2CC(c3ccccc3F)C2)nc1 336186562 VBXSNNGBLHOBJB-UHFFFAOYSA-N 243.285 2.528 0 40 BFAB O=C(O)CC12CC(COCc3ccccc3)(C1)C2 953109408 NGROIGFDABDTIW-UHFFFAOYSA-N 246.306 2.848 0 40 BFAB Cn1c(Cc2ccccc2)nc2cc(N)ccc21 804275 WWUCNEAKEYSVBH-UHFFFAOYSA-N 237.306 2.746 0 40 BFAB O=C(O)[C@H](c1ccccc1)c1ccc(O)cc1 2048183 QKVDVFKHAJTZOJ-CYBMUJFWSA-N 228.247 2.609 0 40 BFAB O=C(O)CCCc1cccc2c1CCCC2 4696693 PYNJPEQMFVQYMU-UHFFFAOYSA-N 218.296 2.973 0 40 BFAB CN(C)c1cc2c(nn1)Nc1ccccc1S2 5390067 DUYNEAJPGBBVBX-UHFFFAOYSA-N 244.323 2.751 0 40 BFAB CC[C@H](C)NC(=O)COc1ccc(Cl)cc1 5468524 YRCHDGZHGAARGY-VIFPVBQESA-N 241.718 2.634 0 40 BFAB Cc1cc(C)cc(-n2cc[nH]c(=S)c2=O)c1 6817233 JTGNZTCPWKMNDD-UHFFFAOYSA-N 232.308 2.512 0 40 BFAB CCOc1cccc(CN[C@H](C)CC)c1 8326014 SZWHMRBUNNCIBJ-LLVKDONJSA-N 207.317 2.973 0 40 BFAB O=C(O)c1cc(Cl)ccc1-n1cccc1 9237105 UXORLGHDHUTZCI-UHFFFAOYSA-N 221.643 2.829 0 40 BFAB NC1(c2ccc(F)cc2)Cc2ccccc2C1 11885834 JVXFZPHXJICFOX-UHFFFAOYSA-N 227.282 2.779 0 40 BFAB CC(C)(C)C(=O)Nc1ccc2c(c1)OCCCO2 12932924 SZHGAMIFNIVOKR-UHFFFAOYSA-N 249.310 2.833 0 40 BFAB CCn1ccc(NC(=O)Nc2cccc(F)c2)n1 27929875 BJNWAVUMNBGQMU-UHFFFAOYSA-N 248.261 2.686 0 40 BFAB CC(C)(C)SCC(=O)NC(C1CC1)C1CC1 32904233 WOLNSODMPBTFQX-UHFFFAOYSA-N 241.400 2.823 0 40 BFAB Brc1cc(CNC2CC2)cs1 35251080 ILDCOKXRMHVHBS-UHFFFAOYSA-N 232.146 2.763 0 40 BFAB in-vitro O=C(O)c1ccccc1Oc1cccnc1 36904275 CVDCJGITZQGDJF-UHFFFAOYSA-N 215.208 2.572 0 40 BFAB in-vitro O[C@@H]1CCC[C@H](NCc2ccccc2Cl)C1 37164227 QLTZLTBCJSVGIG-NWDGAFQWSA-N 239.746 2.733 0 40 BFAB O=C(O)c1cccnc1NCC1CCCCC1 37247691 KQMJVFTWPOWMJG-UHFFFAOYSA-N 234.299 2.772 0 40 BFAB O=C(O)[C@H]1C[C@@H]1c1ccc(Cl)s1 37381102 FJXYZGVJJOLGLQ-WHFBIAKZSA-N 202.662 2.590 0 40 BFAB Cc1ccc(C)c(C(=O)[C@@H]2CCC[C@H]2C(=O)O)c1 43879202 FLJWIBAXNGPNHL-VXGBXAGGSA-N 246.306 2.987 0 40 BFAB CCN(CC)[C@@H](C)C(=O)Nc1ccc(C)cc1C 78574218 HKAHNTJKZOQKPW-ZDUSSCGKSA-N 248.370 2.972 0 40 BFAB COc1ccc2[nH]c(C(=O)O)cc2c1Cl 82360346 AXMULSMCSSBVRM-UHFFFAOYSA-N 225.631 2.528 0 40 BFAB Cc1nc2ccccc2n1CC1(O)CCCC1 87463991 LAWVJFRBAHRJDS-UHFFFAOYSA-N 230.311 2.650 0 40 BFAB CNC(=O)c1ccc(C)c(Oc2ccncc2)c1 89651125 MBVJSTNSOXALRL-UHFFFAOYSA-N 242.278 2.542 0 40 BFAB Cc1ccccc1-c1nc(CN2CCCC2)no1 89696896 KOSIOUMRWCRHJM-UHFFFAOYSA-N 243.310 2.641 0 40 BFAB COc1cc(C(=O)Nc2cccc(C)c2C)on1 90609981 WEDNCRMHQOAZKN-UHFFFAOYSA-N 246.266 2.552 0 40 BFAB COCC[C@H](N[C@H](C)c1ccco1)C(C)C 96479348 FYNFGUQRUFBRRC-NEPJUHHUSA-N 225.332 2.991 0 40 BFAB CC[C@@H](SC[C@@H](C)c1ccccc1)C(N)=O 96496214 XHXWFWMXSCAPCI-ZYHUDNBSSA-N 237.368 2.787 0 40 BFAB COc1cc(Cl)c(F)cc1C(C)=O 107370809 ASHBFAIPOWCSPZ-UHFFFAOYSA-N 202.612 2.690 0 40 BFAB CP(C)(=O)c1ccc(Br)cc1 148693230 VVPOOPJRWPTMGB-UHFFFAOYSA-N 233.045 2.697 0 40 BFAB NCCCCCN1CC[C@H]2CCCC[C@H]2C1 250883401 VXEUCYLCEJAUIV-KGLIPLIRSA-N 224.392 2.628 0 40 BFAB c1coc(CNCc2cnn(C3CCCC3)c2)c1 256050253 DIHGLFHVUQOGKU-UHFFFAOYSA-N 245.326 2.881 0 40 BFAB CC(C)CCNCc1ccn(CC(C)C)n1 256050969 HFKCXSKZPIDJOV-UHFFFAOYSA-N 223.364 2.675 0 40 BFAB CCN(CC)C(=O)[C@@H](C)Oc1ccc(C)c(C)c1 311203182 LIQTZIDFARMNGE-CYBMUJFWSA-N 249.354 2.939 0 40 BFAB O=C(/C=C/c1ccco1)N1[C@H]2CC[C@H]1CC(F)C2 1775967205 ISPFPRPAVNWAGP-WTIVYXKASA-N 249.285 2.784 0 40 BFAB COc1cccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c1 284699 AKECETWCFXSJHA-VXGBXAGGSA-N 247.338 2.813 0 40 BFAB CCOC(=O)[C@@H]1OC12CCC(C(C)(C)C)CC2 1734103 ZUBUPLFQSZUSEN-CVZZAPKMSA-N 240.343 2.923 0 40 BFAB CCCCCCC(=O)OC[C@H]1CCCO1 1848546 OPVZUZXHVJJCKC-LLVKDONJSA-N 214.305 2.679 0 40 BFAB O=C(O)c1ccccc1C(=O)c1cccc(F)c1 2580210 QEJCZBRESAWPCT-UHFFFAOYSA-N 244.221 2.755 0 40 BFAB CCC[C@@H](C)NC(=O)[C@@H](C)Oc1ccccc1 2856638 XKBSFTRUJWQJAH-VXGBXAGGSA-N 235.327 2.759 0 40 BFAB Cc1ccccc1NC(=O)NC(C)(C)C 3958909 ZGYVGZHSMYBSDV-UHFFFAOYSA-N 206.289 2.915 0 40 BFAB O=C1O[C@H]2CCCC[C@H]2[C@H]1c1ccccc1 4720839 NHZLOUXGQVISND-FRRDWIJNSA-N 216.280 2.886 0 40 BFAB CC[C@@H](C)C(=O)Nc1ccc(F)cc1F 5593246 SSIOGBOBGCTNPI-SSDOTTSWSA-N 213.227 2.949 0 40 BFAB CCOc1ccc(F)cc1-c1csc(N)n1 13223603 PBRICKOPIFMAFS-UHFFFAOYSA-N 238.287 2.930 0 40 BFAB Cc1ccc(C(=O)NN2[C@@H](C)CCC[C@H]2C)cc1 18120066 INQHRNVCOKBROP-BETUJISGSA-N 246.354 2.903 0 40 BFAB C[C@H]1Cc2ccccc2N1C(=O)c1ccccn1 20836774 OXKJXUQNSHUJBF-NSHDSACASA-N 238.290 2.673 0 40 BFAB CCOCCN(CC)c1ccc(C=O)c(C)c1 21999892 NGWFOLQXKZCGCJ-UHFFFAOYSA-N 235.327 2.670 0 40 BFAB Cc1ccc(C(=O)N2[C@@H](C)CCC[C@H]2C)cc1N 22215548 RIHQBTAHEKTURT-TXEJJXNPSA-N 246.354 2.980 0 40 BFAB Cn1ccc(-c2cccc(-c3cnccn3)c2)n1 23337641 YMWCXBQJJBJZDF-UHFFFAOYSA-N 236.278 2.544 0 40 BFAB CC(C)CC(=O)Nc1ccc2cn[nH]c2c1 29371072 LKHBXMMJSLCIDR-UHFFFAOYSA-N 217.272 2.548 0 40 BFAB COc1ccc2c(c1)CCCN2C(=O)C(C)C 32848569 IPZRHULEKLICAB-UHFFFAOYSA-N 233.311 2.630 0 40 BFAB Cc1cccc(NC(=O)c2ccc(C)nc2)c1 32895343 PBELECUAGKXCNP-UHFFFAOYSA-N 226.279 2.951 0 40 BFAB Cc1cc(C(=O)NCC2CC2)sc1C 32909788 VMRCHJLXPJSRGP-UHFFFAOYSA-N 209.314 2.505 0 40 BFAB NCc1nc(-c2cc(Cl)ccc2Cl)no1 34797628 TXLZZRCPLJBBHY-UHFFFAOYSA-N 244.081 2.502 0 40 BFAB CC[C@@H]1CCCCN1Cc1nnsc1Cl 35164769 BVWMCFDLUIYQDU-MRVPVSSYSA-N 245.779 2.956 0 40 BFAB O=C(CSc1nncs1)c1ccccc1 35184828 VEDNMGMGJUKCJF-UHFFFAOYSA-N 236.321 2.513 0 40 BFAB N[C@@H]1CCOc2c1ccc(Cl)c2Cl 36928587 WUGRPYNFTPEPAC-SSDOTTSWSA-N 218.083 2.776 0 40 BFAB CN[C@@H]1CCCN(Cc2ccccc2Cl)C1 53201408 GZFWJSTZGYGNLD-GFCCVEGCSA-N 238.762 2.524 0 40 BFAB Cc1ccc(CCC(=O)Nc2cc(C)n[nH]2)cc1 59025766 VMKOPMKHOMACIG-UHFFFAOYSA-N 243.310 2.598 0 40 BFAB CCN1CCC[C@H]1c1cnc(S)cc1C 72218312 NRHSZPMBMGYJGW-NSHDSACASA-N 222.357 2.836 0 40 BFAB Cc1cc(N2CCCCCC2)ncc1[C@@H](C)O 72223524 PVIMZFKUNIGMMT-GFCCVEGCSA-N 234.343 2.824 0 40 BFAB Cc1ccc(-n2nc3ccc(N)c(C)c3n2)cc1 73740104 DJFWXLVSFMIDAA-UHFFFAOYSA-N 238.294 2.620 0 40 BFAB CNCc1cc(Br)c(C)s1 85393227 RXDOKZIVEXUXRP-UHFFFAOYSA-N 220.135 2.538 0 40 BFAB O=C1c2ccccc2Cc2nc3ccccc3n21 95346828 CLRRADVYJALFRS-UHFFFAOYSA-N 234.258 2.629 0 40 BFAB Cc1ccc2c(c1)nc(CCCCCO)n2C 95532031 VUYBLQUVGGARJK-UHFFFAOYSA-N 232.327 2.587 0 40 BFAB OCCc1cn(C2CCCC2)nc1C(F)(F)F 95939568 UJWAIXFZDIDBHV-UHFFFAOYSA-N 248.248 2.552 0 40 BFAB CC(C)[C@@H](N)CCN1CC[C@@H]2CCCC[C@@H]2C1 96523817 MLVPZLPJAZYUCD-ZNMIVQPWSA-N 238.419 2.872 0 40 BFAB CC(=O)O[C@@H]1C[C@H]2CC[C@]13CC=CC[C@H]23 104290383 LOXGHFUDKKRKPV-LPWJVIDDSA-N 206.285 2.684 0 40 BFAB O=C(c1cc(F)ccc1F)C(F)(F)Cl 158685965 FVYNELARJFWKSB-UHFFFAOYSA-N 226.556 2.979 0 40 BFAB Cc1ccc(C[C@H](OC(C)C)C(=O)O)cc1C 225035510 VRKGEFYXEWYANG-ZDUSSCGKSA-N 236.311 2.724 0 40 BFAB CC(C)[C@H]1CCc2cnn(C(C)C)c2N1 225813243 XMVLHZHIGBXTKZ-LLVKDONJSA-N 207.321 2.847 0 40 BFAB CCCCNC(=O)c1conc1-c1ccccc1 225870423 RZMUOGXNZSGQGX-UHFFFAOYSA-N 244.294 2.872 0 40 BFAB Cc1cnn(C)c1NCc1cccc(F)c1F 256053617 SCZNCWKKBPYLAS-UHFFFAOYSA-N 237.253 2.619 0 40 BFAB C[C@H]1CN2Cc3ccccc3-n3cccc3[C@H]2O1 260746639 BCXYGBQBCMDSLZ-XHDPSFHLSA-N 240.306 2.710 0 40 BFAB CC[C@@H](C)C(=O)Nc1ccc(NC(C)=O)cc1 365296 IYKKYOYUJUQWGX-SECBINFHSA-N 234.299 2.630 0 40 BFAB Cc1c(N)c(C)c(Br)c(C)c1N 1670357 XOAKGNZDZWREPG-UHFFFAOYSA-N 229.121 2.539 0 40 BFAB CCCCCNC(=O)c1cccc(OC)c1 2807151 KXCGZDVBFYNVSM-UHFFFAOYSA-N 221.300 2.615 0 40 BFAB CCOCCCNCc1cccc(Cl)c1 2923955 IKBXRWZGIAUKQI-UHFFFAOYSA-N 227.735 2.856 0 40 BFAB CCOC(=O)c1sc(N[C@H](C)CC)nc1C 4294214 HDOCOQMXSUHAGL-SSDOTTSWSA-N 242.344 2.839 0 40 BFAB Cc1c(N)cccc1NC(=O)C(C)(C)C 8703433 DZHGAIOKFWUKRV-UHFFFAOYSA-N 206.289 2.562 0 40 BFAB O=C(Nc1cccnc1)c1ccc2c(c1)CCC2 8707315 YWDVSCRAOAITHH-UHFFFAOYSA-N 238.290 2.823 0 40 BFAB Cc1c/c(=N/c2ccccc2)n2ccsc2n1 8804394 BBPBQRNTVWLARS-QINSGFPZSA-N 241.319 2.937 0 40 BFAB O=C(O)[C@@H](c1ccccc1)N1CCCCCC1 11886677 XEMZQCVESCWACG-CYBMUJFWSA-N 233.311 2.688 0 40 BFAB CCCCCNC(=O)c1cc(Cl)c[nH]1 12935938 XLZWYHLYUFMLTP-UHFFFAOYSA-N 214.696 2.588 0 40 BFAB CSCc1ccc(C(=O)N2CCCC2)cc1 12988006 MVXAAXFCFOVYBO-UHFFFAOYSA-N 235.352 2.786 0 40 BFAB CCCc1cc(OC)c(C[C@@H](C)N)cc1OC 13450445 UEEAUFJYLUJWQJ-SNVBAGLBSA-N 237.343 2.546 0 40 BFAB NCCOc1ccc(Cc2ccccc2)cc1 13805319 MJTXDDKAEQAMNA-UHFFFAOYSA-N 227.307 2.615 0 40 BFAB in-vivo CC(C)c1ccccc1O[C@@H]1CCNC1 14632126 YAUZIQZVHKXXOK-LLVKDONJSA-N 205.301 2.551 0 40 BFAB in-vitro c1ccc(CNCc2cccc3[nH]ccc23)nc1 15423544 MJIVZALYFYTLBP-UHFFFAOYSA-N 237.306 2.853 0 40 BFAB Cc1ccc([C@H](C(=O)O)N2CCCCC2)cc1 16739304 KZUQOSMEHNREBC-CYBMUJFWSA-N 233.311 2.607 0 40 BFAB N[C@H](c1ccccc1)c1cccc(F)c1 19415745 CGZRUHXQDYRPLG-CYBMUJFWSA-N 201.244 2.874 0 40 BFAB Cc1ccc2[nH]cc(/C=C/C(=O)O)c2c1 20269229 LUCFLNQDTDJVEG-HWKANZROSA-N 201.225 2.574 0 40 BFAB CON(C)C(=O)Cc1ccc(Cl)c(Cl)c1 34515728 QREMLPRPTUNAQM-UHFFFAOYSA-N 248.109 2.556 0 40 BFAB Nc1cccc(C[S@@](=O)C2CCCCC2)c1 40971506 WPODKEILCJOICG-INIZCTEOSA-N 237.368 2.850 0 40 BFAB in-vitro CC(=O)c1ccccc1OCC[C@@H]1CCCNC1 42771428 LCHHZXFWJMHUGH-ZDUSSCGKSA-N 247.338 2.658 0 40 BFAB Cc1ccc(C)c(C(=O)[C@H]2CC[C@@H](C(=O)O)C2)c1 43878985 IXRYEWWKVYLYLA-NWDGAFQWSA-N 246.306 2.987 0 40 BFAB Cc1cc(N)ccc1N1CCCC[C@H]1C 57363453 NCEKDJRRVDUCNI-LLVKDONJSA-N 204.317 2.956 0 40 BFAB CC(C)(C)c1ccc(-c2nc[nH]n2)cc1 62718978 YILVYLCQFMTYTG-UHFFFAOYSA-N 201.273 2.769 0 40 BFAB Clc1cccnc1SC[C@H]1CCOCO1 69738084 PMVBHOBDHOMZRV-MRVPVSSYSA-N 245.731 2.590 0 40 BFAB CCOC(=O)CCCOc1ccc(F)cc1F 75881208 VNACIAPXRFMZTP-UHFFFAOYSA-N 244.237 2.687 0 40 BFAB O=C(O)[C@H]1CCn2c(cnc2C2CCCCC2)C1 84079835 JIBWGTQTPFSTFR-NSHDSACASA-N 248.326 2.578 0 40 BFAB in-vitro CC(C)COC[C@@H](C)NC(=O)c1cccs1 84544418 DPXKVNVANLJLTI-SNVBAGLBSA-N 241.356 2.539 0 40 BFAB Cc1cccc(C(=O)N2C[C@H]3CCCC[C@@H]3C2)n1 89688905 BSURRNXSKZQMQS-CHWSQXEVSA-N 244.338 2.652 0 40 BFAB NNc1cc(Cl)ccc1C(F)(F)F 91244409 ZTUJPDAKWRWBMX-UHFFFAOYSA-N 210.586 2.644 0 40 BFAB CC(C)CN1CC[C@@H]2[C@@H]1CCN2Cc1ccoc1 96055771 QQASJEQFGIOZFE-LSDHHAIUSA-N 248.370 2.584 0 40 BFAB CCc1noc(C)c1C(=O)OCC1CCC1 96442564 CURQJUJNJOOTKB-UHFFFAOYSA-N 223.272 2.502 0 40 BFAB O=C(CC(=O)C(F)(F)F)c1ccccc1F 100631000 ZMJUOMSUMXJFPQ-UHFFFAOYSA-N 234.148 2.530 0 40 BFAB in-vitro O=C(NC[C@@H]1C[C@@H]2CC[C@@H]1C2)c1cccc(F)c1 100977669 AJPYURYLMKTZRR-WZRBSPASSA-N 247.313 2.992 0 40 BFAB COCC(=O)NCCCc1ccc(C(C)C)cc1 116657729 ZLUUZMDTONZJHN-UHFFFAOYSA-N 249.354 2.505 0 40 BFAB CC(C)OC(=O)OCC(F)(F)C(F)(F)F 169795749 BRHDNZRRLYKJOF-UHFFFAOYSA-N 236.136 2.746 0 40 BFAB CC(C)CCC1CCN([C@H](C)C(=O)O)CC1 225455596 PYTXFCKOCWNVEQ-LLVKDONJSA-N 227.348 2.608 0 40 BFAB CCc1nc2cc(Cl)c(C(=O)OC)cc2[nH]1 225728744 RARMZOCVWVSSKO-UHFFFAOYSA-N 238.674 2.565 0 40 BFAB CCCCCNc1cnn(CCF)c1C 256053394 RGNBITWGOZSOIA-UHFFFAOYSA-N 213.300 2.763 0 40 BFAB COC(=O)c1ccc2[nH]cc(C(F)F)c2c1 260543334 XCISYVNETBOACT-UHFFFAOYSA-N 225.194 2.892 0 40 BFAB OC[C@]12CCCC[C@H]1CN(Cc1ccccc1)C2 1772715864 CKEIPBZJHXSCTL-JKSUJKDBSA-N 245.366 2.671 0 40 BFAB CC[C@@H](C)C(=O)Nc1ccc(OC)cc1OC 373106 IXWNTEKSRFATRX-SECBINFHSA-N 237.299 2.688 0 40 BFAB O=C(CC[C@@H]1CCCC1=O)c1ccccc1O 519253 MAZMUXBBTPTKSB-JTQLQIEISA-N 232.279 2.724 0 40 BFAB biogenic COC(=O)Cc1csc(Nc2ccccc2)n1 1455101 QAWYCUCGFLVWHQ-UHFFFAOYSA-N 248.307 2.602 0 40 BFAB CC1(C)C/C(=C/c2ccccc2)C(=O)O1 1751766 YJYNXXMKUKZVQI-FLIBITNWSA-N 202.253 2.796 0 40 BFAB O=C(O)CC[C@@]1(c2ccccc2)CCCC1=O 1755863 FBUOKAZGLNYOTA-CQSZACIVSA-N 232.279 2.542 0 40 BFAB Clc1cccc(Cl)c1CC1OCCO1 2529056 NVJNYQVIHYPKNC-UHFFFAOYSA-N 233.094 2.909 0 40 BFAB O=C(Oc1ccccc1)c1cccc(O)c1 2558112 VGVWUMGIUNURRJ-UHFFFAOYSA-N 214.220 2.611 0 40 BFAB in-vitro O[C@]12CCCC[C@H]1[C@@H](Cc1ccccc1)NCC2 4698066 ZNBXUIHEGUGLBC-XHSDSOJGSA-N 245.366 2.512 0 40 BFAB biogenic,in-vitro NCc1ccc(-c2ccccc2F)cc1 5766926 DDOGRBKIRHYZHY-UHFFFAOYSA-N 201.244 2.951 0 40 BFAB COc1ccc([C@@H](N)c2ccccc2)c(OC)c1 6018039 IMEJKJODGOOFNC-HNNXBMFYSA-N 243.306 2.752 0 40 BFAB O=C1C2=[N+](CCCC2)Cc2sc(Cl)cc21 8861893 IHPVTERNOFVGAQ-UHFFFAOYSA-N 240.735 2.735 0 40 BFAB CC[C@@H](C)Sc1nc2nc(C)cc(C)n2n1 15107908 MHRJTIFANJMEBQ-SECBINFHSA-N 236.344 2.632 0 40 BFAB Cc1ccc(-c2ccc(OCC(N)=O)cc2)cc1 23656503 YKRIGVFHOUREPJ-UHFFFAOYSA-N 241.290 2.526 0 40 BFAB COc1ccc(OC)c(C(=O)CC(C)C)c1 32014207 FSNKLWFXJDRSSM-UHFFFAOYSA-N 222.284 2.933 0 40 BFAB CSc1ccc(-c2ccnc3nncn23)cc1 32094053 HDMHMMDCHWQKIR-UHFFFAOYSA-N 242.307 2.513 0 40 BFAB CCOc1ccc2nccc(Cl)c2n1 32221533 DBTQROPNZVNFMR-UHFFFAOYSA-N 208.648 2.682 0 40 BFAB CC[C@H]1CCCCN1Cc1nnsc1Cl 35164771 BVWMCFDLUIYQDU-QMMMGPOBSA-N 245.779 2.956 0 40 BFAB O=C(Nc1cc[nH]n1)c1cc2ccccc2s1 42414354 QRACHGMOOQPAHB-UHFFFAOYSA-N 243.291 2.877 0 40 BFAB CC[C@@H]1CCCCN1c1cc(Cl)ncn1 42783518 ZCNVCNQVGGQFDZ-SECBINFHSA-N 225.723 2.899 0 40 BFAB CCOC(=O)c1ccc(-c2cccc(OC)n2)o1 45028406 HYKPCAFURSMDHB-UHFFFAOYSA-N 247.250 2.527 0 40 BFAB CC(C)CCC(=O)N1CCO[C@@H]2CCCC[C@@H]21 46488805 WHQLYCLIFYTQKW-QWHCGFSZSA-N 239.359 2.593 0 40 BFAB Clc1cnn(Cc2cc(-c3ccco3)on2)c1 49065976 TYRGUCZORNIPCY-UHFFFAOYSA-N 249.657 2.833 0 40 BFAB CNC[C@@H](OC(C)C)c1ccccc1F 50483654 SGLBDOGKIPYBGB-GFCCVEGCSA-N 211.280 2.511 0 40 BFAB CSc1nc2ccc(C(C)C)cc2c(=O)[nH]1 57771822 VHLYGZDDYMBGHQ-UHFFFAOYSA-N 234.324 2.768 0 40 BFAB COc1ccc(CCCC(=O)NC(C)C)cc1 61341492 RPRHFWQMXPWHBK-UHFFFAOYSA-N 235.327 2.543 0 40 BFAB CCO[C@H](CN)c1cccc2ccccc12 62711932 CNYQMLCILVJSOT-CQSZACIVSA-N 215.296 2.876 0 40 BFAB Cc1cc(CNc2ccccc2C)on1 64556200 PAXHLKVQGGULMN-UHFFFAOYSA-N 202.257 2.904 0 40 BFAB CC(C)CC(=O)N1CCC[C@H](C(F)(F)F)C1 65517343 LAZLACONHHVWMF-VIFPVBQESA-N 237.265 2.833 0 40 BFAB c1cc(NC2CCCC2)ncc1[C@H]1CCCN1 72213941 QKGZPCBRCDBUGK-CYBMUJFWSA-N 231.343 2.861 0 40 BFAB CN1CCCC[C@H]1c1cccnc1N1CCCC1 72215997 XLMQBMGCEIANSQ-AWEZNQCLSA-N 245.370 2.839 0 40 BFAB Cc1ccc2[nH]c(C3CCN(C)CC3)nc2c1 72367682 AZUYKXGEZJBKSF-UHFFFAOYSA-N 229.327 2.681 0 40 BFAB Fc1ccc2c(c1)CC[C@H]2NCC1CCOCC1 75104045 FOGBTPPLIBGAJK-OAHLLOKOSA-N 249.329 2.829 0 40 BFAB CCc1nc([C@@H](C)NC(=O)C(C)C)cs1 83830244 XJMKLRHPPSSFAS-MRVPVSSYSA-N 226.345 2.539 0 40 BFAB COc1ccccc1-c1ccc(CCO)cc1 95727286 YXWNMPJMQJWRHX-UHFFFAOYSA-N 228.291 2.897 0 40 BFAB OCc1ccc(CCNCc2ccsc2)cc1 96493855 IDSYHGZPDSOZHG-UHFFFAOYSA-N 247.363 2.573 0 40 BFAB C[C@H]1CC[C@@H]1COc1ccc(C(=O)O)cc1 96526478 QTIOOMNJFALMMR-GXSJLCMTSA-N 220.268 2.810 0 40 BFAB Cc1cc(Cl)n(-c2ccc(O)cc2)n1 96529728 JGJNQTGEFRYCBN-UHFFFAOYSA-N 208.648 2.540 0 40 BFAB C[C@@H](O[C@H]1CCNC1)c1cccc(Cl)c1 96529836 STXHYNPLEGBNMT-SKDRFNHKSA-N 225.719 2.780 0 40 BFAB Cn1cnnc1SCC1CCCCCC1 97376221 XUVVMNDRHUVQBI-UHFFFAOYSA-N 225.361 2.878 0 40 BFAB CCCCCCNCCCCCCN 107767463 UCNXZIZMYUXGJN-UHFFFAOYSA-N 200.370 2.675 0 40 BFAB Nc1cccc(OC(F)F)c1Br 126424383 DGYJNKGZPPDNQU-UHFFFAOYSA-N 238.031 2.633 0 40 BFAB CCCNC(=O)c1cc2cccc(C)c2o1 139478742 MRAPXQKZHQHSOE-UHFFFAOYSA-N 217.268 2.881 0 40 BFAB CCCC(CCC)[S@](=O)C[C@@H]1CCCO1 194541253 PQAMABRRCXTOEJ-XHDPSFHLSA-N 232.389 2.883 0 40 BFAB N[C@H]1CCCC[C@@H]1Nc1c(F)cccc1F 218865987 NUCOKQVNEJGCAX-QWRGUYRKSA-N 226.270 2.647 0 40 BFAB Cc1ccc2c(c1)CC[C@]2(O)C(F)(F)F 221664804 CVYDXNCDXYPLNL-SNVBAGLBSA-N 216.202 2.691 0 40 BFAB COC(=O)CCc1ccc(Cl)cc1C 228905481 WVYVUJHHWAGZCQ-UHFFFAOYSA-N 212.676 2.754 0 40 BFAB O=P(O)(O)C1c2ccccc2-c2ccccc21 1682479 IZTWMJRGKYHMCJ-UHFFFAOYSA-N 246.202 2.934 0 40 BFAB CCCC[C@@](CC)(CO)[C@@H](O)c1ccco1 1697037 NQVJBEBKSHDOLT-STQMWFEESA-N 226.316 2.892 0 40 BFAB NC(=O)Nc1cc(C(F)(F)F)ccc1Cl 1722503 FUHIWAVIDSNBSQ-UHFFFAOYSA-N 238.596 2.849 0 40 BFAB CCc1cccc(CC)c1N(C(C)=O)C(C)=O 1737443 ZWCCMEOAZIIZNL-UHFFFAOYSA-N 233.311 2.711 0 40 BFAB CCC(=O)O[C@@H]1C[C@@H]2C[C@H]1[C@H]1CC=C[C@@H]21 2131206 BLBJUGKATXCWET-UHFZAUJKSA-N 206.285 2.540 0 40 BFAB biogenic CCn1cc(CNc2ccc(F)c(F)c2)cn1 2536239 MPDCKGCOABKBLR-UHFFFAOYSA-N 237.253 2.793 0 40 BFAB CCCCCC[C@@H](C)O[C@@H]1CCS(=O)(=O)C1 3098902 DIJAYZRTHWOLAU-VXGBXAGGSA-N 248.388 2.549 0 40 BFAB C[C@@H]1CCCC[C@@H]1NC1=NCCCS1 3259320 KHBQUQCRMLRFHV-ZJUUUORDSA-N 212.362 2.648 0 40 BFAB Cc1ccc(NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)nc1 5363987 PDDLHYIRLMYPHK-TUAOUCFPSA-N 230.311 2.765 0 40 BFAB CC(C)(C)NC(=O)CSCc1ccccc1 6692914 GMCFBDCNQJJYFV-UHFFFAOYSA-N 237.368 2.835 0 40 BFAB Cc1ccc(NC(=O)C2CCC2)c(F)c1 9726526 GVJORLNXWYVSQA-UHFFFAOYSA-N 207.248 2.873 0 40 BFAB COC(=O)c1ccc(C)c(NC(=O)CC(C)C)c1 9749231 MLDQFNBVTCZULO-UHFFFAOYSA-N 249.310 2.766 0 40 BFAB CC[C@@H](C)C(=O)N[C@@H]1CCc2ccccc21 12983960 VZVVFOHUCRWRDO-ZWNOBZJWSA-N 217.312 2.836 0 40 BFAB C[C@@H]1CC[C@@H](O)C2=CC(=O)[C@@H]3[C@@H](C3(C)C)[C@]21C 14443028 KDPNSOLPHGZUAY-DZKUHWLFSA-N 234.339 2.565 0 40 BFAB biogenic CC(C)c1cc2cccnc2n1CCCN 19453081 YWUMNSLYFKWVCP-UHFFFAOYSA-N 217.316 2.509 0 40 BFAB N[C@H](CN1CCCCCC1)c1ccccc1 19821184 JHRUWBKUZLCAEJ-CQSZACIVSA-N 218.344 2.562 0 40 BFAB O=C(O)c1ccccc1-c1nccs1 20440119 FQRCVHZNITWETI-UHFFFAOYSA-N 205.238 2.508 0 40 BFAB Nc1cc(NC(=O)c2ccccn2)ccc1Cl 22150800 DETAQCXCWJHSJL-UHFFFAOYSA-N 247.685 2.570 0 40 BFAB Nc1ccc(-c2n[nH]c3c2CCCC3)cc1 32628097 XNHBWYMEMZIJMV-UHFFFAOYSA-N 213.284 2.538 0 40 BFAB in-vitro O=[N+]([O-])c1ccc(N/N=C2/C[C@@H]3C=CC[C@H]23)cc1 33805561 DWBVNUYMYUVDPD-BTCRKOMKSA-N 243.266 2.959 0 40 BFAB C[C@@H](Cn1ccnc1)NC[C@@H](C)c1ccccc1 35275266 ISVMDQHHEFJSMN-KGLIPLIRSA-N 243.354 2.665 0 40 BFAB C[C@H](O)c1ccc(NC(=O)C(C)(C)C)cc1 35646055 CBFXMOQYOITZFJ-VIFPVBQESA-N 221.300 2.725 0 40 BFAB CC1=C2[C@@H]3OC(=O)[C@H](C)[C@H]3CC[C@]2(C)C(=O)CC1 37237804 RSDQBPGKMDFRHH-HMYIPDOQSA-N 248.322 2.644 0 40 BFAB Cc1ccc(SC[C@@H]2CCCN2)cc1 43497073 XKXZKDSWIIRZQS-NSHDSACASA-N 207.342 2.839 0 40 BFAB CO[C@@H](CNC(=O)CC(C)C)c1ccccc1 43518373 WGLUBDQLFLRMRZ-ZDUSSCGKSA-N 235.327 2.536 0 40 BFAB Clc1nccnc1NCc1ccccc1 43537572 NUNGHFKSQLAHTC-UHFFFAOYSA-N 219.675 2.742 0 40 BFAB NC(=O)/C=C\c1ccc(-c2ccc(F)cc2)o1 45016353 YVKJOUXSKXGOAY-VURMDHGXSA-N 231.226 2.584 0 40 BFAB CCOC(=O)c1ccc(Cl)c(Cl)n1 47202781 ZNKCKBUCUHCEGP-UHFFFAOYSA-N 220.055 2.565 0 40 BFAB Cc1ccc(-n2ncc(C=O)c2C)c(C)c1 48218297 BVRKSZOQTOWNGE-UHFFFAOYSA-N 214.268 2.610 0 40 BFAB CC(C)CSc1nnc(-c2ccncc2)o1 54363690 LIWXOVSCUAZAOZ-UHFFFAOYSA-N 235.312 2.880 0 40 BFAB Cc1cc(C)c(/C=C2\SC(=O)NC2=O)c(C)c1 59514427 OLGGDEFTPZZDMW-WDZFZDKYSA-N 247.319 2.936 0 40 BFAB O=CCc1cc(Cl)cc(Br)c1 66325611 GAZNJDUPKSYIEZ-UHFFFAOYSA-N 233.492 2.844 0 40 BFAB CC[C@@H](N)COCc1ccccc1Cl 74496218 HMBCPNJOSTUFOK-SNVBAGLBSA-N 213.708 2.594 0 40 BFAB c1ccc(CN2CCc3ncsc3C2)cc1 82046789 HQSUSJJXHQQHAV-UHFFFAOYSA-N 230.336 2.701 0 40 BFAB in-vitro O=C(c1c[nH]c2ccc(F)cc12)N1CCCC1 82272951 GSTIVOICECZFLM-UHFFFAOYSA-N 232.258 2.543 0 40 BFAB Cc1nsc(NCc2cccc(F)c2)n1 83647953 IEHYFYHTFNSBJI-UHFFFAOYSA-N 223.276 2.598 0 40 BFAB CCC(=O)NCc1ccc(F)cc1CSC 87435460 IPAKNFHLKPOMMB-UHFFFAOYSA-N 241.331 2.715 0 40 BFAB O=Cc1cccc(F)c1N1CCCC(F)(F)C1 95081222 OIYRRTXAGSYRSX-UHFFFAOYSA-N 243.228 2.874 0 40 BFAB CCc1nc(C)c([C@@H](C)N(C)C(C)=O)s1 95401203 HTCGSTZMVQWPOP-MRVPVSSYSA-N 226.345 2.553 0 40 BFAB CC(C)(C)c1noc([C@@H]2CCCS2)n1 95404047 JLNLKFQMPSOMTI-ZETCQYMHSA-N 212.318 2.935 0 40 BFAB Cc1nc(SCCCn2ccnc2)oc1C 97114226 WZKYCDJEOSJGLH-UHFFFAOYSA-N 237.328 2.670 0 40 BFAB Cc1ccc([C@H](NN)c2ccccc2)cc1C 161805743 VMCXHSRSLUQMQL-OAHLLOKOSA-N 226.323 2.856 0 40 BFAB C[C@@H]1c2ccccc2N[C@@H]2CCOC[C@H]12 252481404 CKNOUHZRZPFKDC-IRUJWGPZSA-N 203.285 2.621 0 40 BFAB CCn1ncc(NCc2cccc(F)c2)c1C 256050338 DQUULFXEKSTLCJ-UHFFFAOYSA-N 233.290 2.963 0 40 BFAB CCC[C@H](CF)NC(=O)OC(C)(C)C 575447614 JITOTISNDOCDOH-MRVPVSSYSA-N 205.273 2.649 0 40 BFAB CC[C@H](C)C(=O)Nc1cccnc1Cl 365461 JBDGVJOEMJVTPU-ZETCQYMHSA-N 212.680 2.720 0 40 BFAB Fc1ccc(-c2cnc3n2CCC3)cc1 543444 TWOQGVJEOKQKQZ-UHFFFAOYSA-N 202.232 2.635 0 40 BFAB O=S1(=O)C(Cl)=C(Cl)c2ccccc21 1615458 BMWLALPJBZFJIO-UHFFFAOYSA-N 235.091 2.578 0 40 BFAB CCCC(=O)Oc1ccc(CCC(C)=O)cc1 1671377 HFHMAFJEDGPVNB-UHFFFAOYSA-N 234.295 2.914 0 40 BFAB Cc1c(-[n+]2ccccc2)[nH]c2ccccc12 1705340 HPTFJVHPZGUJSR-UHFFFAOYSA-N 209.272 2.753 0 40 BFAB Cc1cccc(C(=O)N2CCCCC2)c1 5343265 RZQSYVFYSMVASQ-UHFFFAOYSA-N 203.285 2.621 0 40 BFAB CC(=O)Nc1ccc(-c2ccccc2)cn1 6158817 FXUKKQSINSXDFT-UHFFFAOYSA-N 212.252 2.707 0 40 BFAB in-vitro CCc1ccc2c(c1)c(C=O)c(C)n2C 6677777 YMQAYMRURWJBCO-UHFFFAOYSA-N 201.269 2.862 0 40 BFAB CC(C)c1csc([C@H]2CCCNC2)n1 11632024 KOJUTHALZHVPGR-VIFPVBQESA-N 210.346 2.734 0 40 BFAB in-vitro CCn1c(C)c2ccc(=O)ccc2c1C 12249912 PLZWQBRMISIHCK-UHFFFAOYSA-N 201.269 2.638 0 40 BFAB Cc1ccccc1NC(=O)[C@@H](C)N1CCCCC1 12911280 KYIZHCDCGUGWEZ-CYBMUJFWSA-N 246.354 2.808 0 40 BFAB COc1ccc([C@@H](C)NC(=O)[C@@H]2C[C@@H]2C)cc1 16971595 COSNGNOZECLPTG-OPQQBVKSSA-N 233.311 2.528 0 40 BFAB CC(C)C[C@H](N)CN1CCCCCCC1 20266231 XBYQWLOMNCKGFY-ZDUSSCGKSA-N 212.381 2.626 0 40 BFAB Clc1nccc(OC2CCCCC2)n1 20358085 MMBINALOMGPYDR-UHFFFAOYSA-N 212.680 2.842 0 40 BFAB Cc1ccsc1C(=O)NC(C1CC1)C1CC1 23012820 LQXFUVVILCWGKN-UHFFFAOYSA-N 235.352 2.975 0 40 BFAB Cc1cc2c(c(=O)o1)C=C1CCCC[C@@H]1O2 26897563 OOEUMXVXNXRROJ-NSHDSACASA-N 218.252 2.667 0 40 BFAB Cc1[nH]c2c(C(=O)NC(C)C)cccc2c1C 32777770 RUBWBCZSGIODOR-UHFFFAOYSA-N 230.311 2.923 0 40 BFAB CNCCc1ccc(Cl)c(Cl)c1 34454361 HFVRPDJQMMPXJJ-UHFFFAOYSA-N 204.100 2.755 0 40 BFAB C[C@@H](NC(=O)Cc1cccs1)c1ccco1 37114791 JPTKXLATEVYWSK-SECBINFHSA-N 235.308 2.761 0 40 BFAB N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 37381637 BLWIIBGLWOGEQG-IONNQARKSA-N 201.191 2.520 0 40 BFAB CC[C@H](N)c1ccc(OCC(F)F)cc1 37755425 LNDUSMFWGGYTHX-JTQLQIEISA-N 215.243 2.740 0 40 BFAB C[C@@H](O)/C=C/c1ccc(Br)cc1 38841438 QVAMPRCBAQIQBI-UFUPEUMYSA-N 227.101 2.843 0 40 BFAB CCc1[nH]nc(N)c1-c1cccc(C)c1 41210792 SULLFECXSLWRFI-UHFFFAOYSA-N 201.273 2.530 0 40 BFAB Cc1c(F)cccc1-c1ccc(CN)o1 43321733 YDXQPYQYJRMUCZ-UHFFFAOYSA-N 205.232 2.853 0 40 BFAB COC(=O)c1c(Cl)cnc(Cl)c1Cl 43827501 CRSDEIIJMVDXIW-UHFFFAOYSA-N 240.473 2.828 0 40 BFAB CCCCCCNC(=O)c1ccc2c(c1)CCO2 45143246 LHLSPSCFAFBKCV-UHFFFAOYSA-N 247.338 2.932 0 40 BFAB CCOC(=O)c1csc(-c2ccc(O)cc2)n1 58291960 ZKQDDUPBNHWQGO-UHFFFAOYSA-N 249.291 2.692 0 40 BFAB in-vitro C[C@H]1Cc2ccccc2[C@H]1NC(=O)c1ccco1 71894487 WMIVYMCADBSEON-HZMBPMFUSA-N 241.290 2.943 0 40 BFAB CCC(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C 72208687 ULEXMXPJOTZHNL-SNVBAGLBSA-N 241.331 2.755 0 40 BFAB in-vitro CC[C@H](O)c1cnc(Br)cc1C 72222954 VKEYWSJWZKNTKD-QMMMGPOBSA-N 230.105 2.596 0 40 BFAB COc1ccc(CSc2ncc[nH]2)cc1F 78931968 ITEZSJSEEYWCKZ-UHFFFAOYSA-N 238.287 2.850 0 40 BFAB Cc1ccc2c(c1)C1(CCNCC1)C[C@H]2N(C)C 84789578 FIJPIUOZZLFAIY-OAHLLOKOSA-N 244.382 2.623 0 40 BFAB C[C@@H]1C[C@H](N[C@@H]2C=C[C@H](CO)C2)CC(C)(C)C1 89920166 ZULKVVQKRQNOIE-RQJABVFESA-N 237.387 2.728 0 40 BFAB Brc1cccc2c1NCC21CC1 96028801 CKYIPMDJSNLMKH-UHFFFAOYSA-N 224.101 2.906 0 40 BFAB Cc1ccc(-c2ccccc2-c2nnn[nH]2)s1 96190351 YILLZLMRPVAYCE-UHFFFAOYSA-N 242.307 2.904 0 40 BFAB Cc1nc(-c2cccnc2)sc1-c1cc[nH]n1 101038379 GSJXMCPUNXZEJK-UHFFFAOYSA-N 242.307 2.904 0 40 BFAB CCOc1ccc(C(=O)O)cc1COC(C)C 224712349 QRPWAOURJVZBPI-UHFFFAOYSA-N 238.283 2.709 0 40 BFAB Cc1ncccc1/C=C/C(=O)OC(C)(C)C 953095081 QHMSUAQCFGYXHQ-BQYQJAHWSA-N 219.284 2.745 0 40 BFAB O=C1CSCN1c1ccc(C(F)(F)F)cc1 74324 KEKWCAINDSWEGE-UHFFFAOYSA-N 247.241 2.743 0 40 BFAB CC(=O)Nc1cc2ccccc2cc1NC(C)=O 345462 LSHZJVPFDGODCQ-UHFFFAOYSA-N 242.278 2.757 0 40 BFAB C[C@@H]1CCCc2sc3ncn4ncnc4c3c21 507119 LXWVEQIRZPPWES-SSDOTTSWSA-N 244.323 2.779 0 40 BFAB O=C(Nc1ccccc1)OC[C@H]1CCCCO1 1600623 RJRVQXYDLDHNDL-GFCCVEGCSA-N 235.283 2.804 0 40 BFAB Cc1cc(C)nc(NC(=O)OC(C)C)c1 1666696 IOYKLBQMHBTHGF-UHFFFAOYSA-N 208.261 2.655 0 40 BFAB C[C@@H]1CSc2sc(=O)sc2S1 3174444 QVNLBDIQCOVMAW-GSVOUGTGSA-N 222.381 2.756 0 40 BFAB Cc1ccc(C(=O)COC(=O)C2CCC2)cc1 3295829 DRAQNTIRXVPZHD-UHFFFAOYSA-N 232.279 2.521 0 40 BFAB COc1cccc(C[C@@H]2CCCCCN2)c1 3734970 OJEGIPFGVWEOGH-ZDUSSCGKSA-N 219.328 2.770 0 40 BFAB Oc1cccc(-c2nc3ccccc3[nH]2)c1 3881190 UDVFXRGKRCNQBH-UHFFFAOYSA-N 210.236 2.936 0 40 BFAB biogenic CCCCN1C(=O)[C@@H]2CC[C@](C)(C1=O)C2(C)C 3901741 IKHHMGVOWQSRKL-IINYFYTJSA-N 237.343 2.598 0 40 BFAB COc1ccc(-c2cccc(CO)c2)cc1OC 4204241 NQLAJJBLWJZCFR-UHFFFAOYSA-N 244.290 2.863 0 40 BFAB C[C@H](NC(=O)Nc1cccnc1)c1ccccc1 9322786 BXBCZJPQWYKLQS-NSHDSACASA-N 241.294 2.964 0 40 BFAB O=C1N[C@H](c2cccc(F)c2)Nc2ccccc21 9378735 XSKYLOSGIZCDLK-CYBMUJFWSA-N 242.253 2.680 0 40 BFAB CCOC(=O)c1cccc(-c2nccs2)c1 12370215 LHYDRQQHIJUWDE-UHFFFAOYSA-N 233.292 2.987 0 40 BFAB CCOc1ccccc1C(=O)Nc1ccncc1 12538971 IKXUGBZZPLMZHT-UHFFFAOYSA-N 242.278 2.733 0 40 BFAB C[C@H](NC(=O)[C@H]1C[C@H]1C)c1ccc(F)cc1 12913559 UGNNRFZFLLHTDD-PTRXPTGYSA-N 221.275 2.659 0 40 BFAB O=C(Nc1ccc(O)cc1)c1ccc(F)cc1F 20211251 ALMWAOQTCVCOMG-UHFFFAOYSA-N 249.216 2.923 0 40 BFAB CCCC[C@@H](CC)C(=O)Nc1ccn(C)n1 28228062 GJZFIWSIFJRRQG-SNVBAGLBSA-N 223.320 2.575 0 40 BFAB CCc1ccc([C@H](C)NCc2cnn(C)c2)cc1 35009854 VWZXCWCYTSPNES-LBPRGKRZSA-N 243.354 2.833 0 40 BFAB O=C(O)c1cccc(Nc2nccs2)c1 36276437 HBIGPTCLOQMDDG-UHFFFAOYSA-N 220.253 2.585 0 40 BFAB in-vitro Cc1cc(/C=C/C(=O)O)cc(OC(F)(F)F)c1 38529743 DJPZRCOZMDWHRL-NSCUHMNNSA-N 246.184 2.991 0 40 BFAB Cc1ccccc1CN(C)C(=O)NC(C)C 40016078 ZGSOTUIGNCLDJI-UHFFFAOYSA-N 220.316 2.545 0 40 BFAB C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)O 40377474 UVYGEBYOPXXJMX-SSDOTTSWSA-N 232.201 2.969 0 40 BFAB Cc1cccc(C(=O)NCCCOC(C)C)c1C 40460022 LJOBIDVNPUFRAN-UHFFFAOYSA-N 249.354 2.848 0 40 BFAB Cc1ccsc1C(=O)C[C@H](C)CC(=O)O 43214280 OCVGXLVMDYDEAF-ZETCQYMHSA-N 226.297 2.740 0 40 BFAB COc1cccc(C(=O)c2cc(F)cc(F)c2)n1 45028758 VAFXSUWNUBOAIC-UHFFFAOYSA-N 249.216 2.599 0 40 BFAB CN(CC(=O)O)c1cccc(Cl)c1Cl 49826109 BHLGUKVLFQNAIY-UHFFFAOYSA-N 234.082 2.514 0 40 BFAB CCn1c(C=O)nc2ccc(Cl)cc21 53944141 MIHAGDZYANLGOX-UHFFFAOYSA-N 208.648 2.522 0 40 BFAB O=C(C1CC1)N1CCC[C@H]1Cc1ccc(F)cc1 55998611 IVAAWFARCDDWMX-AWEZNQCLSA-N 247.313 2.769 0 40 BFAB CCOC(=O)CCc1ccc(Cl)nc1Cl 59860174 HXIDSMNGZBUYDK-UHFFFAOYSA-N 248.109 2.884 0 40 BFAB CC[C@@H](C)Oc1ccccc1CNCCOC 62729550 ULAICRBFEYYWHG-GFCCVEGCSA-N 237.343 2.600 0 40 BFAB Cc1cc(C=O)cnc1Oc1ccccc1 72222107 KWHOSRLGPGUNCM-UHFFFAOYSA-N 213.236 2.995 0 40 BFAB c1ccc(-c2cnc([C@@H]3CCCNC3)cn2)cc1 72384526 GNQWGPSIVKZFQC-CYBMUJFWSA-N 239.322 2.611 0 40 BFAB CC(C)N(Cc1ccccc1)C1CCNCC1 76855553 ZFQIZMFAWQDHMM-UHFFFAOYSA-N 232.371 2.649 0 40 BFAB Fc1ccc(-c2ncc[nH]2)cc1Br 82549932 CVKOOSBSYNRMNV-UHFFFAOYSA-N 241.063 2.978 0 40 BFAB FC(F)(F)[C@H]1CCC[C@H](NC2CC2)C1 82862725 VQLHTKKDZLUWDC-CBAPKCEASA-N 207.239 2.860 0 40 BFAB CCOC(=O)c1ccnc(C(C)(C)C)c1 85392280 RWWVIBRGMHHWND-UHFFFAOYSA-N 207.273 2.556 0 40 BFAB O=C(c1ccc(Cl)cc1)c1ncco1 85651116 ARNJPEUSZIHOQW-UHFFFAOYSA-N 207.616 2.559 0 40 BFAB CNCc1cccc(C(F)(F)F)c1F 87100322 QAMQJZBGYWNMDX-UHFFFAOYSA-N 207.170 2.564 0 40 BFAB CCOC(=O)[C@](C)(F)C1CCCCC1 95611807 UZOSGUJZXWTBGO-LLVKDONJSA-N 202.269 2.858 0 40 BFAB CCOC(=O)c1ccccc1C(F)F 95634610 SZYVKXPMNXCESC-UHFFFAOYSA-N 200.184 2.801 0 40 BFAB CC[C@H](C)[C@@H](CO)Nc1ccc(Cl)cn1 95963228 TYBNVUAADAAULD-WCBMZHEXSA-N 228.723 2.554 0 40 BFAB Cc1nc(COC(=O)C2CCC2)sc1C 96442738 ACBCWTZWZMTPIX-UHFFFAOYSA-N 225.313 2.603 0 40 BFAB COC(=O)c1ccc2c(C)c(O)ccc2c1 96527997 OUYDTKYCLPZUEI-UHFFFAOYSA-N 216.236 2.640 0 40 BFAB O=C(CC(=O)C(F)(F)F)Sc1ccccc1 100645773 OWBJYCIPSQVOHQ-UHFFFAOYSA-N 248.225 2.827 0 40 BFAB c1cc(CN2C[C@H]3C[C@@H](OCC4CC4)[C@H]2C3)co1 101142840 KCPQYCPPECBAPA-RBSFLKMASA-N 247.338 2.669 0 40 BFAB COc1ccc(C2=C[C@H]3CC[C@H](C2)N3C)cc1 104227730 RWGWKXAJPMBTBL-ZIAGYGMSSA-N 229.323 2.945 0 40 BFAB Cc1ccc(N[C@H]2CCC[C@H]2N)cc1Cl 218878611 ORUBVAOPQFCNBT-NEPJUHHUSA-N 224.735 2.940 0 40 BFAB C/C=C/C(=O)c1cccc(C(=O)OCC)c1 390491034 AECPXXSPPSRKSZ-ZZXKWVIFSA-N 218.252 2.622 0 40 BFAB COc1ccc(CCCC(=O)NC2CC2)c(C)c1 408907281 AKTXEGRKYUTBMX-UHFFFAOYSA-N 247.338 2.605 0 40 BFAB CC[C@H](C)[C@@H](CF)NC(=O)OC(C)(C)C 575447620 PJZAEJJWPIQRFW-DTWKUNHWSA-N 219.300 2.895 0 40 BFAB COc1ccccc1NC(=O)N1C2CCC1CC2 637430918 SCQQEBDRMLUMQR-UHFFFAOYSA-N 246.310 2.854 0 40 BFAB COC(=O)[C@@H]1C[C@@H](C(F)(F)F)CC(F)(F)C1 953033707 JLHMDPWEZZKXCT-PHDIDXHHSA-N 246.175 2.773 0 40 BFAB Cc1nc(Br)c(N)c(C)c1Cl 1772715719 ZLJLTQPTZPXPOJ-UHFFFAOYSA-N 235.512 2.697 0 40 BFAB CCN(C(=O)c1ccncc1)c1ccccc1 329733 BQIDVMJHAKTWSV-UHFFFAOYSA-N 226.279 2.748 0 40 BFAB CCOc1ccc(-c2cnc3n2CCC3)cc1 494421 BNHBFAPJZHNXTE-UHFFFAOYSA-N 228.295 2.895 0 40 BFAB Cc1cccnc1NC(=O)C1CCCCC1 1000139 TYOSUPIHIDSAMA-UHFFFAOYSA-N 218.300 2.909 0 40 BFAB Cc1ccc(Nc2ncnc3[nH]cnc23)cc1C 1470179 IOPVEFNFEJPUQH-UHFFFAOYSA-N 239.282 2.713 0 40 BFAB C[C@H]1CCCCN1C(=O)c1ccccc1 1710856 VHDKHXDKOZGPPK-NSHDSACASA-N 203.285 2.701 0 40 BFAB CN[C@@H](c1ccccc1)[C@H](O)c1ccccc1 1718670 BLDFSDCBQJUWFG-LSDHHAIUSA-N 227.307 2.681 0 40 BFAB in-vitro CCCCn1cnc2c(=O)oc3ccccc3c21 2017833 YFHMCKJEYNMAGY-UHFFFAOYSA-N 242.278 2.943 0 40 BFAB O=C(O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1c1ccccc1 4769257 PWQBPEKAJJSVFH-XQHKEYJVSA-N 214.264 2.677 0 40 BFAB CC1=CC[C@@H](C(N)=O)[C@H](c2ccc(F)cc2)C1 4784970 CRWYRQUYJZNOMC-OLZOCXBDSA-N 233.286 2.751 0 40 BFAB Cc1ccc([S@@](=O)NNc2ccccc2)cc1 4991514 APABCXVDTDHLCA-KRWDZBQOSA-N 246.335 2.634 0 40 BFAB Cc1nc2c(oc3ccc(Cl)cc32)c(=O)o1 4994176 HFJOJFSHBUITSY-UHFFFAOYSA-N 235.626 2.896 0 40 BFAB C[C@H](C(=O)c1c[nH]c2ccccc12)N1CCCC1 7340180 DNCFMMGYZYSHCY-LLVKDONJSA-N 242.322 2.835 0 40 BFAB O=C(OCc1cccc(F)c1)c1cccnc1 10041840 WSFQYAUHCYVMTF-UHFFFAOYSA-N 231.226 2.578 0 40 BFAB COc1ccc([C@H](CC(=O)O)C2CC2)cc1C 11628831 REQZEHJNXWOINF-GFCCVEGCSA-N 234.295 2.972 0 40 BFAB O=C(O)[C@H](Oc1ccccc1)c1ccccc1 11955619 ABUKMOCUMIPDHV-CYBMUJFWSA-N 228.247 2.891 0 40 BFAB in-vitro O=C(Cc1ccsc1)NC1CCCCC1 12975384 ANNRIYPGCWDFTD-UHFFFAOYSA-N 223.341 2.740 0 40 BFAB COc1cccc(CNCCC(C)C)c1 13718042 DLLFBNZJMRONAL-UHFFFAOYSA-N 207.317 2.831 0 40 BFAB NCc1ccc(OC2CCCCC2)cc1 19865523 TZGIKTKRPOBYLW-UHFFFAOYSA-N 205.301 2.857 0 40 BFAB O=C1N=C(c2ccc(Cl)cc2)NC12CCCC2 22113751 ZXDSRULQZPFUDN-UHFFFAOYSA-N 248.713 2.529 0 40 BFAB O=C(O)c1cccnc1SC1CCCC1 22209394 BGJPFAXRLQDXEI-UHFFFAOYSA-N 223.297 2.815 0 40 BFAB in-vitro O=C1O[C@@H](NCc2ccccc2)c2ccccc21 27662396 SXRNXWZOQUSCJD-CQSZACIVSA-N 239.274 2.645 0 40 BFAB C/C=C/CCc1cc(O)c2c(c1)O[C@@H](C)[C@@H]2CO 31167713 ZBSDHRYEWAUMGA-BMPPAVAUSA-N 248.322 2.758 0 40 BFAB biogenic,in-vitro CSCCC(=O)N1CCC[C@@H]2CCCC[C@H]21 32819607 KDTVQBRNAXGWIK-NWDGAFQWSA-N 241.400 2.921 0 40 BFAB c1ccc2[nH]c(CSc3ccncn3)nc2c1 35655313 ZIAQDAPTMBPBCC-UHFFFAOYSA-N 242.307 2.645 0 40 BFAB CCCc1noc(-c2ccc(N)c(C)c2)n1 36915771 NMQNERRGLYKTGD-UHFFFAOYSA-N 217.272 2.580 0 40 BFAB Fc1c(Cl)nc(C(F)(F)F)nc1Cl 39632787 OLRZQFAZUSRNRR-UHFFFAOYSA-N 234.967 2.941 0 40 BFAB Cc1cccc(CC(=O)Nc2cc(C)ns2)c1 44454017 XXBAXLSEIMLQEV-UHFFFAOYSA-N 246.335 2.941 0 40 BFAB CCOC(=O)c1ccc(-c2ccccn2)o1 45028401 BMWULFGVLQAVEM-UHFFFAOYSA-N 217.224 2.518 0 40 BFAB CCOc1ccc([C@H](O)c2cccc(N)c2)cc1 53993797 YPGPKXTXPNORMP-HNNXBMFYSA-N 243.306 2.749 0 40 BFAB Cc1ccc(N[C@H](C)C(=O)N2CCCC2)c(C)c1 57324381 NYHXQJYHWAWYHI-CYBMUJFWSA-N 246.354 2.726 0 40 BFAB Cc1cnn([C@@H](C)[C@H](C)NCc2ccsc2)c1 69491601 AZPUCFRNCFLPBT-RYUDHWBXSA-N 249.383 2.992 0 40 BFAB Cc1cc(Cn2ccnc2)c2ccccc2n1 71914539 ZQIWBJUSIOCLIE-UHFFFAOYSA-N 223.279 2.788 0 40 BFAB Oc1cc(-c2ccccc2Br)no1 71976567 GPWRZVYQTJPUOQ-UHFFFAOYSA-N 240.056 2.810 0 40 BFAB Brc1cnc(C2CCC2)nc1 72191811 GGRDQVNIRHJZCI-UHFFFAOYSA-N 213.078 2.507 0 40 BFAB CCN(CC)c1ccc(C2=NCCC2)cn1 72212817 ALRIYNAOGKZLIE-UHFFFAOYSA-N 217.316 2.511 0 40 BFAB CCN(CC(=O)O)c1ccc(Cl)c(Cl)c1 76633285 BONSUCPHGTVCBG-UHFFFAOYSA-N 248.109 2.904 0 40 BFAB Cc1ccc(Br)c(CO)c1Cl 90413878 YKIANKSUJNYEMG-UHFFFAOYSA-N 235.508 2.903 0 40 BFAB CO[C@@H](C)CCOC(=O)c1ccc(SC)o1 96442887 ZKXMVKFSGOGSDB-QMMMGPOBSA-N 244.312 2.583 0 40 BFAB Cc1nccc(N[C@H]2CCOC3(CCCC3)C2)n1 97228576 DBYJKXFCFNKKRB-LBPRGKRZSA-N 247.342 2.689 0 40 BFAB O=C(C1=NO[C@H]2[C@H]1[C@@H]1CC[C@@H]2C1)c1ccccc1 103107595 CEAYTPVKXPIMKF-MCYUEQNJSA-N 241.290 2.670 0 40 BFAB CC(C)(O)c1ccc(F)c(Br)c1 166486588 DIKPEMSBHKZROG-UHFFFAOYSA-N 233.080 2.816 0 40 BFAB Cc1ccccc1[S@@](=O)Cc1ccccn1 191182235 MOPCBDMVHJPKFR-INIZCTEOSA-N 231.320 2.698 0 40 BFAB CC(C)O[C@H](Cc1ccccc1Cl)C(=O)O 220801656 IEGOXYLTUKWOED-LLVKDONJSA-N 242.702 2.761 0 40 BFAB Cc1ccc(Cl)cc1N(C)CCCC(=O)O 224992318 PQTQJQDZMFSDJN-UHFFFAOYSA-N 241.718 2.949 0 40 BFAB Cc1cn2c(CNC(C)C)c(Cl)nc2s1 256054442 WGRRVHWPHZJKII-UHFFFAOYSA-N 243.763 2.856 0 40 BFAB c1ccc(C2CC3(C2)CN([C@H]2CCOC2)C3)cc1 1889090341 HDQYHINICJBHSW-HNNXBMFYSA-N 243.350 2.655 0 40 BFAB Cc1nc2cccc(C(=O)NCC(C)C)c2o1 108496 ROSJFIWACPORSD-UHFFFAOYSA-N 232.283 2.522 0 40 BFAB CC(C)CC(=O)Nc1cccnc1Cl 363819 PAJCTJGKPCRVLM-UHFFFAOYSA-N 212.680 2.720 0 40 BFAB COCCOC(=O)c1ccc(C(C)C)cc1 1570903 GOHBABBKCGVQJJ-UHFFFAOYSA-N 222.284 2.613 0 40 BFAB COc1ccccc1[C@@H](O)c1ccccc1 1598536 FYFYNXNAKOEXDV-AWEZNQCLSA-N 214.264 2.777 0 40 BFAB N=C(NC1CCCCC1)NC1CCCCC1 1648380 MPUAUPQFSLHOHQ-UHFFFAOYSA-N 223.364 2.766 0 40 BFAB NCCCn1c2ccccc2c2cnccc21 1697600 YYOVUENFJVUHID-UHFFFAOYSA-N 225.295 2.538 0 40 BFAB COc1c(N)cc2c(c1C)OC(C)(C)C=C2 1726668 ONSQLUSUXFVLRC-UHFFFAOYSA-N 219.284 2.770 0 40 BFAB CCCCc1ccc([C@H](N)CC(=O)O)cc1 2582512 OADWRZPIUCUUOK-GFCCVEGCSA-N 221.300 2.504 0 40 BFAB O=C(c1cc(-c2ccco2)on1)N1CCCCC1 2602343 LHINIDNWDADGCR-UHFFFAOYSA-N 246.266 2.561 0 40 BFAB CCc1c(C(=O)O)[nH]c2ccc(C)cc12 4553619 PQEZZABTFGEOOL-UHFFFAOYSA-N 203.241 2.737 0 40 BFAB CCCNC(=O)c1ccccc1SCC 6398308 ZFBPPDYIJQQLQJ-UHFFFAOYSA-N 223.341 2.938 0 40 BFAB CC(C)(C)NC1=NN=C(c2ccccc2)CS1 7850092 NGMAVHOYUCQQIF-UHFFFAOYSA-N 247.367 2.882 0 40 BFAB COc1ccccc1NC(=O)[C@@H]1CC=CCC1 9217774 WXORALCNIQURQH-LLVKDONJSA-N 231.295 2.990 0 40 BFAB O=C(Nc1ccccn1)OCc1ccccc1 13281595 YCHDIQIXOALAIJ-UHFFFAOYSA-N 228.251 2.830 0 40 BFAB C[C@@H]1CC(=O)c2cnn(-c3ccccc3F)c2C1 16972899 FZQQQKNMZDPHRM-VIFPVBQESA-N 244.269 2.776 0 40 BFAB CCN(CC)[C@@H](CN)c1ccccc1Cl 19361929 HBCFIRRZLOLLOX-LBPRGKRZSA-N 226.751 2.682 0 40 BFAB in-vitro Nc1cccc(-c2nc(-c3ccco3)no2)c1 19771948 LWMPMMZQDAEVPE-UHFFFAOYSA-N 227.223 2.579 0 40 BFAB CCn1cc(NCc2cc(F)ccc2F)cn1 20354248 HYCLBUZAHQAUIS-UHFFFAOYSA-N 237.253 2.793 0 40 BFAB Cc1cc(C)cc(C2(C(=O)O)CCC2)c1 21951212 AWAARCULHRDHCK-UHFFFAOYSA-N 204.269 2.810 0 40 BFAB Cc1ccc(CN2CCN3CCC[C@H]3[C@@H]2C)cc1 22078255 OKJOQUQEQQRRTE-HOCLYGCPSA-N 244.382 2.664 0 40 BFAB C[C@H](c1ccccc1)N(C)C(=O)c1ccccn1 32721749 PYNLCISMNFZWOO-GFCCVEGCSA-N 240.306 2.915 0 40 BFAB CCc1ncc(C(=O)O)c(-c2cccc(C)c2)n1 32918584 KSYZFMLQMVCNJV-UHFFFAOYSA-N 242.278 2.713 0 40 BFAB Cc1ccc(Cc2csc(N)n2)cc1 36644024 JZCXUMJHQFLGJV-UHFFFAOYSA-N 204.298 2.625 0 40 BFAB COc1ccc([C@@H](O)c2ccccc2F)cc1 40244104 AVOGIJRVHPNHGD-CQSZACIVSA-N 232.254 2.916 0 40 BFAB O=C(O)C1(Oc2ccc(F)cc2)CCCCC1 41945484 HITRZZZFVXSGMW-UHFFFAOYSA-N 238.258 2.992 0 40 BFAB C[C@@H]1C[C@@H]1C(=O)N(C)[C@@H]1CCc2ccccc21 42622895 KNCUBBURLBIXPJ-DDTOSNHZSA-N 229.323 2.788 0 40 BFAB Cc1ccc(OC2CNC2)c(C(C)(C)C)c1 42769686 WBGRBQYDVFCPIB-UHFFFAOYSA-N 219.328 2.643 0 40 BFAB Cc1cccc(C(=O)CC(C)(C)C(=O)O)c1 43214217 KXRBKHQWDGARPV-UHFFFAOYSA-N 220.268 2.679 0 40 BFAB C/C=C/C=C/C(=O)N[C@H](C)CCc1ccco1 58264023 HFTDWUGTWBUTMO-CZEJMOPWSA-N 233.311 2.849 0 40 BFAB Cc1cccn(Cc2ccc(Cl)cc2)c1=O 69893518 SCTPNYXAOYHKLH-UHFFFAOYSA-N 233.698 2.858 0 40 BFAB Cc1nnc([C@H](C)Oc2ccccc2F)o1 71849901 YDYOLBCZUHTOQZ-ZETCQYMHSA-N 222.219 2.657 0 40 BFAB CC(C)c1nc(CNC(=O)[C@@H]2C[C@@H]2C)cs1 71879568 IOURNVBNHGRUDO-WCBMZHEXSA-N 238.356 2.539 0 40 BFAB O=C1c2ccccc2CC[C@H]1C(F)(F)F 72194632 CBDOEEPTRHUPCK-SECBINFHSA-N 214.186 2.994 0 40 BFAB Cc1cc(Cl)ncc1[C@H]1CCCCN1C=O 72217873 KANUYILBHXDLKB-LLVKDONJSA-N 238.718 2.727 0 40 BFAB C[C@@H](O)c1ccc(NCc2ccccc2)nc1 72225346 QZVUEXMDMWKZRU-LLVKDONJSA-N 228.295 2.747 0 40 BFAB Cc1cc(CN2C[C@@H]3CCCN3C[C@@H]2C)oc1C 72324596 FLHGHJKACAGEMC-JSGCOSHPSA-N 248.370 2.565 0 40 BFAB O=C(O)c1c(Cl)ncc2ccccc12 72338639 XVWHFYBDMXNETM-UHFFFAOYSA-N 207.616 2.586 0 40 BFAB Cc1ccc(Cl)cc1C(=O)CCC(=O)O 74418861 AKAOHCARXNZCHF-UHFFFAOYSA-N 226.659 2.696 0 40 BFAB Cc1ccc(N)c(NCc2ccccn2)c1 87149507 FOXCAUHMRGFVKZ-UHFFFAOYSA-N 213.284 2.584 0 40 BFAB c1ccc(Cn2ccc(-c3ccccn3)n2)cc1 90751646 SYILINNBKCIDGB-UHFFFAOYSA-N 235.290 2.993 0 40 BFAB Cc1ccsc1[C@@H](O)CCC1OCCCO1 95728561 CKORBKWQUVSRBJ-JTQLQIEISA-N 242.340 2.633 0 40 BFAB CC(C)CCOc1cc(C(=O)O)ccc1F 95732460 BFMAWXYGYODPPX-UHFFFAOYSA-N 226.247 2.949 0 40 BFAB c1ccc2c(c1)nc(C1CC1)n2C[C@H]1CCCN1 96510512 ZMAKZWCMLYBMKH-GFCCVEGCSA-N 241.338 2.666 0 40 BFAB CCCC1=NN(c2ccc(F)cc2)C(=O)C1 100407023 CMFVCYMYVGRETF-UHFFFAOYSA-N 220.247 2.719 0 40 BFAB C[C@@H]1C[P@](=O)(c2ccccc2)[C@H](C)CC1=O 254404292 QEYLIZRHTPFMRZ-GLKRBJQHSA-N 236.251 2.672 0 40 BFAB O=C1OCc2c(Br)cc(Cl)cc21 575435714 QGWRTXRLNXORHY-UHFFFAOYSA-N 247.475 2.773 0 40 BFAB CC(=O)c1c(NC2CCCCC2)oc(C)cc1=O 33662 IIGCOZDHFIABJW-UHFFFAOYSA-N 249.310 2.895 0 40 BFAB CC[C@@H]1C(=O)O[C@@H](c2ccccc2)C(C)(C)C1=O 128457 BQISGOZGIFFRIQ-AAEUAGOBSA-N 246.306 2.906 0 40 BFAB C/C=C/C(=O)Nc1nc2ccc(OC)cc2s1 341560 QDUSYJKTTWXGCU-ONEGZZNKSA-N 248.307 2.820 0 40 BFAB CCC[C@@H](C)NCCOC(=O)c1ccccc1 1710438 CRHOFFWXPPFOCV-GFCCVEGCSA-N 235.327 2.622 0 40 BFAB CC(=O)Nc1cccc2nc(C)sc12 3218653 YHWBPXRJKKUMJL-UHFFFAOYSA-N 206.270 2.563 0 40 BFAB CCC(=O)Nc1nc2c(F)cccc2s1 4331580 KPRADOMRJLCTQD-UHFFFAOYSA-N 224.260 2.784 0 40 BFAB CCNC(=S)Nc1ccc(C)cc1Cl 5560710 CBBWEONLSCYIQD-UHFFFAOYSA-N 228.748 2.955 0 40 BFAB CCOC(=O)c1cn[nH]c1-c1ccccc1C 8700033 HQRMFFHPSAYFGQ-UHFFFAOYSA-N 230.267 2.562 0 40 BFAB CC[C@H](Nc1cccc(C(F)(F)F)c1)C(=O)O 8702734 OUEWKQVGKGTLLQ-VIFPVBQESA-N 247.216 2.981 0 40 BFAB CC[C@@H](C)C(=O)Nc1ccc(N)cc1C 8703466 PIPFUQPZIODIGO-MRVPVSSYSA-N 206.289 2.562 0 40 BFAB Cc1cccc2cc(CNC(C)C)c(O)nc12 9210044 OLXFNUSQDNBKSQ-UHFFFAOYSA-N 230.311 2.747 0 40 BFAB COc1cc2ccccc2cc1C(=O)N1CCC1 12973377 UZOPPCDMXLZWAS-UHFFFAOYSA-N 241.290 2.694 0 40 BFAB C[C@H](O)c1ccccc1OC(F)(F)F 15442975 LWOXLMRGAQEYMM-LURJTMIESA-N 206.163 2.639 0 40 BFAB C[C@H](NC1CC1)c1ccc(-n2ccnc2)cc1 20083162 MGIUZRLNAFYOIY-NSHDSACASA-N 227.311 2.685 0 40 BFAB CC[C@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)OCO2 28305262 AKIDXHDKTYAVEU-UWVGGRQHSA-N 249.310 2.639 0 40 BFAB C[C@H]1CCCCN1C(=O)c1ccsc1 32731262 PQQLYHSVKNOYDP-VIFPVBQESA-N 209.314 2.763 0 40 BFAB Cc1cccc(Nc2nc(C(=O)O)cs2)c1 33507872 FVHFQAHOEOAARQ-UHFFFAOYSA-N 234.280 2.893 0 40 BFAB COC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 38339288 RWNCYTADJXIKOL-VHSXEESVSA-N 210.660 2.617 0 40 BFAB Cc1cc2ncn(CC3CCNCC3)c2cc1C 38478269 KBZSAYKIAPFTFV-UHFFFAOYSA-N 243.354 2.653 0 40 BFAB CCOc1ccccc1[C@@H](CN)N1CCCCC1 38827640 LOXXZSDJVWKOOL-CQSZACIVSA-N 248.370 2.571 0 40 BFAB CCOC(=O)c1sc2cccc(C)c2c1N 39020193 KGRKGSZJGFPMFK-UHFFFAOYSA-N 235.308 2.969 0 40 BFAB CC1=NN=C2C[C@](C)(O)C[C@H](c3ccccc3)[C@H]12 39699199 JWURESHMKSCKFL-VHDGCEQUSA-N 242.322 2.762 0 40 BFAB O=C(O)c1csc(Cc2cccc(F)c2)n1 40677465 OBSHPOPFNXHHLX-UHFFFAOYSA-N 237.255 2.571 0 40 BFAB in-vitro Cc1nc2c(Nc3cccc(F)c3)ncnc2[nH]1 41121329 DIYIFMLQUVCWFU-UHFFFAOYSA-N 243.245 2.544 0 40 BFAB C[C@H]1CCCCN1C(=O)CCc1ccco1 41952072 TXZRJKWFXTYLPD-NSHDSACASA-N 221.300 2.613 0 40 BFAB Clc1nccnc1Oc1ccccc1 43536806 CDVBHMRLWICENV-UHFFFAOYSA-N 206.632 2.922 0 40 BFAB Nc1cc(Nc2ccc(F)cc2)nc(C2CC2)n1 49467594 STWISPYLGLQCKS-UHFFFAOYSA-N 244.273 2.819 0 40 BFAB C[C@H]1CCc2cc(C(=O)O)c(Cl)nc2C1 49820283 WKHBTWMIMRFJJF-LURJTMIESA-N 225.675 2.558 0 40 BFAB O=c1c2ccccc2on1-c1ccccc1 61704710 YJQBDAUNMLGTOM-UHFFFAOYSA-N 211.220 2.584 0 40 BFAB Cc1noc([C@H](C)Oc2cccc(F)c2)n1 69658915 OEMDODYJULRGLI-ZETCQYMHSA-N 222.219 2.657 0 40 BFAB Fc1ccc(OCCNCC2CCC2)cc1 72226481 XMLYPNPWAQSEJK-UHFFFAOYSA-N 223.291 2.594 0 40 BFAB O=c1cc(O)c2cccc(C(F)(F)F)c2o1 75883112 BNHQMTCBDBDLTG-UHFFFAOYSA-N 230.141 2.517 0 40 BFAB Cn1nccc1-c1ccccc1Br 83128186 QFRIOQZXFIGGLH-UHFFFAOYSA-N 237.100 2.850 0 40 BFAB COC(=O)C[C@H]1CCn2c1cc1ccc(F)cc12 91302009 KBMSHNJWPLQZRR-SNVBAGLBSA-N 247.269 2.831 0 40 BFAB COc1ccc([C@](C)(O)C(C)C)cc1C 95739296 XWBOUQSKOGZYMZ-CYBMUJFWSA-N 208.301 2.867 0 40 BFAB O=C(c1cccc(OC(F)F)c1)C1CC1 168627287 ICKIJOGAHUBWMA-UHFFFAOYSA-N 212.195 2.881 0 40 BFAB CC(=O)N1CCS[C@@H](c2cccs2)CC1 219470548 JEXITJIYJDLKGV-LLVKDONJSA-N 241.381 2.775 0 40 BFAB CC(C)(C)CC1=NN[C@H]2CC(C)(C)CC(=O)[C@H]12 228932502 LBHKEAOKZBYROH-CMPLNLGQSA-N 236.359 2.756 0 40 BFAB CCn1ncc(C)c1CNc1ccnn1C(C)C 256051803 KNXBIIBJESILCI-UHFFFAOYSA-N 247.346 2.601 0 40 BFAB CO/C=C1/CCN(C(=O)OC(C)(C)C)C[C@@H]1C 307268152 LQWFYZGIHWQGMN-RGAIUGGKSA-N 241.331 2.794 0 40 BFAB CC(C)NC(=S)Nc1ccc2conc2c1 409201959 RPIFCWUUATYMOB-UHFFFAOYSA-N 235.312 2.523 0 40 BFAB Clc1cccc2c1C1(CCOCC1)CN2 521396069 QPCMFURWEFLEDN-UHFFFAOYSA-N 223.703 2.814 0 40 BFAB CN[C@H]1c2ccccc2CN(C)c2ccccc21 1570006109 CVJCGGMRZVSVGO-INIZCTEOSA-N 238.334 2.945 0 40 BFAB Cc1ccnc(NC(=O)c2ccc(F)cc2)c1 343011 ZMARVBQVOZBFAO-UHFFFAOYSA-N 230.242 2.781 0 40 BFAB CCCCCC[C@@H]1C/C(=C/N(C)C)C(=O)O1 1752905 RGMUXVLMWFRSEK-NLYDNYMLSA-N 225.332 2.718 0 40 BFAB Cc1ccc2c(C3CCNCC3)c[nH]c2c1 2527193 GQEXUCXUFCKMJH-UHFFFAOYSA-N 214.312 2.943 0 40 BFAB in-vitro C[C@H]1C[C@H]2CC(=O)[C@H]3CCCN4CCC[C@H]2[C@]34C1 4166548 BCZFSDNVXODRAJ-ZHMBSYLPSA-N 247.382 2.866 0 40 BFAB biogenic,in-vitro Cc1ccc(C(=O)NCCc2ccco2)cc1 4783869 FUYJSSAZQGOUHB-UHFFFAOYSA-N 229.279 2.561 0 40 BFAB O=C(O)/C=C\c1ccc(F)c(Br)c1 4977469 ZNIGVADAKXOMQH-RQOWECAXSA-N 245.047 2.686 0 40 BFAB O=C1OCC[C@@H]1Sc1ccc2ccccc2n1 5627335 AIFDNMGBVJDLNZ-NSHDSACASA-N 245.303 2.642 0 40 BFAB C[C@@H](O)COc1ccc(Cl)cc1Cl 6036715 FCXMBTHLXLLDFS-ZCFIWIBFSA-N 221.083 2.753 0 40 BFAB O[C@@]12CCCC[C@@H]1[C@H](c1ccc(F)cc1)NCC2 8553089 DQJVTBCKCFMOEZ-QLFBSQMISA-N 249.329 2.781 0 40 BFAB CCCC(=O)Nc1onc2c1C[C@H](C)CC2 11915730 WQKDBNVOZOZROE-MRVPVSSYSA-N 222.288 2.538 0 40 BFAB Cc1ccccc1/C=C/c1n[nH]c(=S)[nH]1 14253600 XTADNOLSCBYCTP-VOTSOKGWSA-N 217.297 2.946 0 40 BFAB COc1ccccc1NC(=O)C[C@@H]1C=CCC1 14633130 NBSKZRMBROWDNS-LLVKDONJSA-N 231.295 2.990 0 40 BFAB CC(=O)c1ccccc1OCC(F)(F)F 19515034 HUIGQXCXQQNEGR-UHFFFAOYSA-N 218.174 2.830 0 40 BFAB Cc1ccc2nc(NCCN(C)C)sc2c1 26423973 NAUHKFSOYMOUOS-UHFFFAOYSA-N 235.356 2.578 0 40 BFAB Cc1cc2ccc(C(=O)O)nc2cc1C 26474896 ZMFLGLCNNRXFBE-UHFFFAOYSA-N 201.225 2.550 0 40 BFAB Cc1cnc(Sc2cn3c(C)cccc3n2)[nH]1 27755398 JSLAPOVZBBSPNJ-UHFFFAOYSA-N 244.323 2.825 0 40 BFAB Cc1cccc([C@@H](O)CNCc2ccccc2)c1 32090495 CZGHSTOKSHJRHA-INIZCTEOSA-N 241.334 2.818 0 40 BFAB Nc1cnn(-c2ccc(Cl)c(Cl)c2)c1 35728307 MZUAEJGGVURGOG-UHFFFAOYSA-N 228.082 2.761 0 40 BFAB CCOC(=O)c1cccc2c1CCCC2 36438715 AAPWSWIVIMYZSD-UHFFFAOYSA-N 204.269 2.742 0 40 BFAB CCC[C@H](C)Nc1cnc2c(c1)c(C)nn2C 37084779 QFQZLJNVDMKLNT-VIFPVBQESA-N 232.331 2.877 0 40 BFAB CCN(CC)C(=O)c1ccc(Cl)s1 40459422 RSFWSPAGALNDPM-UHFFFAOYSA-N 217.721 2.884 0 40 BFAB C[C@H](CC(=O)Nc1ccn(C)n1)c1ccccc1 44871985 DQZRZAWBEOFOMQ-LLVKDONJSA-N 243.310 2.552 0 40 BFAB CC[C@H](C)N(C)C(=O)Nc1ccccc1OC 47275261 HWSLXJNIRWEXTO-JTQLQIEISA-N 236.315 2.957 0 40 BFAB CC(C)CNC(=O)Cc1ccccc1Cl 48090073 TYSXIFWKOBIEIU-UHFFFAOYSA-N 225.719 2.655 0 40 BFAB CCNC(=O)c1cc2ccccc2s1 57547435 QPZQWDSVSMCFSF-UHFFFAOYSA-N 205.282 2.651 0 40 BFAB CCc1ccc(CNC(=O)N2CCCC2)s1 59320938 ACBRLYNTTXJGAU-UHFFFAOYSA-N 238.356 2.616 0 40 BFAB CC(C)CN1CCO[C@H](c2cccc(F)c2)C1 66847770 JTTGKSYHAHTTFS-AWEZNQCLSA-N 237.318 2.855 0 40 BFAB CC[C@H](NC)[C@H](NC(=O)OC(C)(C)C)C(C)C 72207628 RHJTUWWWRIQKAM-WDEREUQCSA-N 244.379 2.534 0 40 BFAB O=C(O)[C@H]1CCC[C@H](CC(F)(F)F)C1 75135426 QIDHTBAGCKXPJI-BQBZGAKWSA-N 210.195 2.830 0 40 BFAB Clc1ccc(Br)c2c1CCNC2 85221646 FKUPERICYLCFLB-UHFFFAOYSA-N 246.535 2.748 0 40 BFAB CC(C)C[C@H](CN)CC(=O)O[C@H](C)C(C)C 87467971 OKIQEWFOZNPTBL-NEPJUHHUSA-N 229.364 2.585 0 40 BFAB COc1ccc2[nH]c(C)c(CNC(C)C)c2c1 87819132 UPMRHLUOIVPRDV-UHFFFAOYSA-N 232.327 2.983 0 40 BFAB C[C@H](CO)N[C@@H]1CCCSc2ccccc21 89497013 RNWTVBDYMWCGRO-ZYHUDNBSSA-N 237.368 2.584 0 40 BFAB C[C@@H]1C[C@@H]1C(=O)N(C1CCCC1)C1CC1 89920372 PLVBODNSYBCJJQ-SKDRFNHKSA-N 207.317 2.576 0 40 BFAB CCn1cnnc1CN[C@H](C)CCC=C(C)C 95420376 KLRGJSRCWKQNMV-GFCCVEGCSA-N 236.363 2.523 0 40 BFAB c1cnc(N2CCC3(CCCCC3)C2)cn1 96429734 WIZQJJNTLZHXMY-UHFFFAOYSA-N 217.316 2.637 0 40 BFAB Clc1cccc(CO[C@H]2CCNC2)c1Cl 96529818 PRIBZLCQSNMGLG-VIFPVBQESA-N 246.137 2.872 0 40 BFAB CC[C@H](NC[C@@H]1CC=CCC1)c1cnn(C)c1 97228316 JPPDOLXTYOMHSS-OCCSQVGLSA-N 233.359 2.817 0 40 BFAB CCOC(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 102064285 KPSNZBHCVXBRQF-RCWTZXSCSA-N 211.305 2.557 0 40 BFAB COc1ccc(NC(=O)C2(C)CCCCC2)cn1 122155679 NFEKIOIUHIRMRQ-UHFFFAOYSA-N 248.326 2.999 0 40 BFAB C[C@@H](Cc1ccc(F)cc1)Nc1cnn(C)c1 132485485 GNEWFXZUJMDKTP-JTQLQIEISA-N 233.290 2.602 0 40 BFAB O=Cc1cc(OCc2ccccc2)ns1 136712068 YREZLGBDUDWDEB-UHFFFAOYSA-N 219.265 2.535 0 40 BFAB CC(C)CSCCCOc1cnn(C)c1 193523529 WVRGUCUORKUBNH-UHFFFAOYSA-N 228.361 2.578 0 40 BFAB CC(C)c1cc(C(F)(F)F)ncc1N 199563039 NVYZQTGVQSYBHY-UHFFFAOYSA-N 204.195 2.806 0 40 BFAB Fc1ccc(CNCc2ccco2)cc1 268543 VAXZXWGDPANWJJ-UHFFFAOYSA-N 205.232 2.709 0 40 BFAB in-vitro Oc1cccc(C(=S)N2CCCCC2)c1 306143 OCLDLRSSRNPRIZ-UHFFFAOYSA-N 221.325 2.554 0 40 BFAB O=C(O)c1ccn2cc(-c3ccccc3)nc2c1 1606770 LVBKJPNJRHJALB-UHFFFAOYSA-N 238.246 2.700 0 40 BFAB COC(=O)[C@@H]1[C@H](c2ccccc2)C1(Cl)Cl 1715144 BRJBXJNEVALXNT-IUCAKERBSA-N 245.105 2.747 0 40 BFAB c1ccc(OCCNCc2cccs2)cc1 2526422 LHGWPOOGYIVRJK-UHFFFAOYSA-N 233.336 2.917 0 40 BFAB in-vitro Cc1c(CCC(=O)O)c(O)nc2c(C)cccc12 8740050 NPTBNCSEINFQCT-UHFFFAOYSA-N 245.278 2.574 0 40 BFAB biogenic Cc1cccc(C(=O)Nc2ncccc2C)c1 11535897 UFXHFDMZPQHXMP-UHFFFAOYSA-N 226.279 2.951 0 40 BFAB CCCCN(C)C(=O)c1cccc(NC(C)=O)c1 12784998 IVFFDGDTWVUSOW-UHFFFAOYSA-N 248.326 2.517 0 40 BFAB CCCCNC(=S)N1[C@@H](C)CCC[C@H]1C 18175882 FFTZBIUTZLWFDB-PHIMTYICSA-N 228.405 2.924 0 40 BFAB Cc1cn2cc(-c3ccc(N)cc3)nc2s1 19767259 QNBXWJLRHIDISD-UHFFFAOYSA-N 229.308 2.953 0 40 BFAB Nc1ccc(Cl)c(C(=O)NC2CCCC2)c1 20193969 ZBXHYTUJCQUKKI-UHFFFAOYSA-N 238.718 2.595 0 40 BFAB C/C(=C\C(=O)O)c1cccc(Br)c1 20259921 PFEJJKHATQGTGW-FNORWQNLSA-N 241.084 2.937 0 40 BFAB CCOc1ccc([C@H]2CCCN2C(C)=O)cc1 32820991 PWHYTTMZZVJLRW-CQSZACIVSA-N 233.311 2.769 0 40 BFAB C[C@@H]1C[C@@H]1C(=O)N1CCSc2ccccc21 32997909 ADUTZESNAHBXLO-ZJUUUORDSA-N 233.336 2.781 0 40 BFAB CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)Nc2ccccc21 34651206 RMFKCPZVZSAUNM-GMXVVIOVSA-N 246.354 2.889 0 40 BFAB in-vitro Cc1cc(C(=O)N2CCC[C@H]3CCCC[C@@H]32)on1 36398249 MPWXEORNXXWOME-NEPJUHHUSA-N 248.326 2.778 0 40 BFAB C=CC(=O)N1CC[C@H](C)[C@H]2CCCC[C@@H]21 37831126 IWHQRAYKFVECER-TUAOUCFPSA-N 207.317 2.600 0 40 BFAB CN[C@@H]1CCc2[nH]c3c(F)cc(F)cc3c2C1 39214043 CAZYUGCBYNFXRX-MRVPVSSYSA-N 236.265 2.523 0 40 BFAB COC(=O)Nc1sc(N)nc1-c1ccccc1 41098060 YKQDZMJHVFTTST-UHFFFAOYSA-N 249.295 2.571 0 40 BFAB C[C@H](NCCn1cccn1)c1ccccc1Cl 42538705 BERQWDUXGSPCQT-NSHDSACASA-N 249.745 2.887 0 40 BFAB CC(C)c1ccc(Br)cn1 44121412 RJXNVJKFIQGNGY-UHFFFAOYSA-N 200.079 2.968 0 40 BFAB N[C@H](Cc1nccn1C(F)F)c1ccccc1 57218574 KXVWBHWBHHBOFJ-SNVBAGLBSA-N 237.253 2.521 0 40 BFAB in-vitro N[C@@H](c1ccccc1Cl)C(F)(F)F 72194728 DLIXGNJUPCBBER-ZETCQYMHSA-N 209.598 2.902 0 40 BFAB in-vitro COc1ccc([C@@H]2CCCN2C(C)C)cn1 72211665 QCYODRFILJSDMQ-LBPRGKRZSA-N 220.316 2.636 0 40 BFAB CCCNc1ncccc1[C@H]1CCCCN1 72213147 SEIUJSPQTYSDNJ-GFCCVEGCSA-N 219.332 2.718 0 40 BFAB C[C@@H](N(C)C(=O)c1ccoc1)C1(C)CC1 75108223 NGAPSGJRYUXURP-SECBINFHSA-N 207.273 2.540 0 40 BFAB CCc1cc(Br)cc(C(C)=O)c1O 82307723 BHRKRLBGVYFTNG-UHFFFAOYSA-N 243.100 2.920 0 40 BFAB CCSc1ccc(Cl)cc1CO 83224188 LHBHIGFQYDGOQE-UHFFFAOYSA-N 202.706 2.944 0 40 BFAB Cc1ccc2cc(CCC(=O)O)cnc2c1 83990090 UNVAFVXMDBMUHW-UHFFFAOYSA-N 215.252 2.560 0 40 BFAB CNCc1cccn1Cc1ccc(Cl)cc1 85582947 HHGYGVRKVLCHSU-UHFFFAOYSA-N 234.730 2.909 0 40 BFAB O=Cc1cccc(S)c1Br 88247245 MIKKMDPYZKEEMX-UHFFFAOYSA-N 217.087 2.550 0 40 BFAB O=C(O)c1cccc(C(=O)Nc2ccsc2)c1 90868375 RJWCICZNNJXRLM-UHFFFAOYSA-N 247.275 2.699 0 40 BFAB O=[N+]([O-])/C=C/c1cccc(Br)c1F 94992644 XBNQDRANKXIHSP-SNAWJCMRSA-N 246.035 2.836 0 40 BFAB Cn1c(C=O)cc2cc(Br)ccc21 95221214 NHZWGLLVVJGZMJ-UHFFFAOYSA-N 238.084 2.753 0 40 BFAB Cc1ccc([C@@H](O)c2cccn2C)c(C)c1 95727757 HDNBLWYNRUWSFS-CQSZACIVSA-N 215.296 2.724 0 40 BFAB CCc1cc(Br)ccc1OC(C)=O 96345752 CVYGJOWQSXNUFW-UHFFFAOYSA-N 243.100 2.937 0 40 BFAB Cc1nccc(NC(=O)N[C@H]2C[C@@H]2C)c1Cl 97096185 JLSZEEULSNZDHA-RCOVLWMOSA-N 239.706 2.573 0 40 BFAB C[C@@]12CC3CC(OCCN)(C1)C[C@@](C)(C3)C2 100002480 WQXMVAGRSICDSC-QPPOZKHWSA-N 223.360 2.711 0 40 BFAB Cc1ccc(C2(O)C3[C@H]4C5CC6[C@H]4C2[C@H]6[C@H]53)cc1 103946658 WHYBBQKFUVQAIC-XKEJMUBDSA-N 238.330 2.570 0 40 BFAB Cc1c(N[C@H](C)[C@@H]2CCOC2)cccc1N(C)C 195115998 MMXMMIKEZBLJSO-CHWSQXEVSA-N 248.370 2.898 0 40 BFAB Fc1ccccc1N1CCN[C@H]2CCCC[C@H]21 218833844 RYHIDRPAONDWLG-GXTWGEPZSA-N 234.318 2.547 0 40 BFAB Cc1ccc(N[C@@H]2CCC[C@@H]2N)cc1C 218876421 VPIWXOZLZXIZAG-QWHCGFSZSA-N 204.317 2.595 0 40 BFAB CC[C@@H](NC(=O)C1CC1)c1ccccc1C 225386158 CZCUIIUDNXPHFK-CYBMUJFWSA-N 217.312 2.972 0 40 BFAB CCCNC(=O)c1ccc2nc(Cl)oc2c1 225973567 RIXABAYOVDQINM-UHFFFAOYSA-N 238.674 2.621 0 40 BFAB CCOC(=O)c1[nH]ccc1-c1cccs1 259877245 WKFIOZJFIYKZRR-UHFFFAOYSA-N 221.281 2.920 0 40 BFAB FC1(F)CCC[C@H](N[C@H]2CCSC2)C1 307194476 PQXNTDQVAHHIPZ-IUCAKERBSA-N 221.316 2.659 0 40 BFAB CCOC(=O)c1c(C=O)c2ccccc2n1CC 429892 NZLSLNOZESEFMD-UHFFFAOYSA-N 245.278 2.650 0 40 BFAB C=CC(=O)N[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C 500291 YBIUHEWITUKHPU-OPQQBVKSSA-N 207.317 2.503 0 40 BFAB Cc1ccc([C@@H](C)NC(=O)[C@H]2C[C@@H]2C)cc1 1002807 MNFOEAXSHGSEIY-LOWVWBTDSA-N 217.312 2.828 0 40 BFAB Cc1cc2cc(CNC(=O)C(C)C)ccc2n1C 4061454 PIMOQIDWTOHMJO-UHFFFAOYSA-N 244.338 2.759 0 40 BFAB CC(C)[C@@H]1C[C@@H](C)CC[C@H]1O[C@H]1C=CC(=O)O1 4114339 CLAZQKKQQKBAAC-CIQGVGRVSA-N 238.327 2.903 0 40 BFAB CCCCNC(=O)[C@@H](C)Oc1ccc(C)cc1C 8478026 LUONYKQJXDGSHQ-CYBMUJFWSA-N 249.354 2.987 0 40 BFAB CCCN(C(=O)COCC)c1cccc(C)c1 9095485 MTJMRVAYRKFIJL-UHFFFAOYSA-N 235.327 2.775 0 40 BFAB Nc1cc(F)ccc1N1CCc2ccccc2C1 19868522 JMVNOELZHRWWNT-UHFFFAOYSA-N 242.297 2.971 0 40 BFAB CC[C@H](C)NCCc1ccc(OC)cc1 19907469 YUFKOMHDGAQBLN-NSHDSACASA-N 207.317 2.626 0 40 BFAB O=c1ccccn1Cc1ccccc1Cl 32741455 HYLHAHVYNGEQHP-UHFFFAOYSA-N 219.671 2.550 0 40 BFAB CCCCCNc1ccccc1S(C)(=O)=O 35098369 NQLNRAKZAUQIAP-UHFFFAOYSA-N 241.356 2.692 0 40 BFAB O=c1[nH]c2ccccc2n1C1=CCCCC1 36378467 YNUIAKDUHMTHBL-UHFFFAOYSA-N 214.268 2.745 0 40 BFAB in-vitro CCCCOc1cc(N)c(Cl)cc1C(=O)O 36449731 MZFHKFQMXUYXRE-UHFFFAOYSA-N 243.690 2.799 0 40 BFAB CNc1cc(F)c(Br)cc1F 36533367 OQGZTTGDWJYFOM-UHFFFAOYSA-N 222.032 2.769 0 40 BFAB Nc1nc(-c2ccccc2C(F)(F)F)ns1 36753335 RHTNXMWAXRDMFC-UHFFFAOYSA-N 245.229 2.806 0 40 BFAB in-vitro C[C@@H](Cc1ccco1)NC(=O)C[C@@H]1C=CCC1 40074699 PSQFORNGHDVYMZ-NWDGAFQWSA-N 233.311 2.683 0 40 BFAB CCC[C@H](C)N(C)C(=O)Nc1nccs1 43160043 JVBQLIIMSQKLDF-QMMMGPOBSA-N 227.333 2.795 0 40 BFAB O=C(/C=C/c1ccco1)NCCc1ccsc1 43771299 AUPWFRZFMDNWMD-ONEGZZNKSA-N 247.319 2.713 0 40 BFAB OCC1CCN(Cc2ccc(Cl)cc2)CC1 46091226 BVWGCWJRQUTGJP-UHFFFAOYSA-N 239.746 2.544 0 40 BFAB CCn1cc(NC(=O)Nc2ccccc2C)cn1 48954246 SQKSJFWPGWIVNK-UHFFFAOYSA-N 244.298 2.855 0 40 BFAB C/C(=C\C(=O)N1CCO[C@@H]2CCCC[C@@H]21)C1CC1 55422456 WWXCVJMHLPVYGK-NXFSIWHZSA-N 249.354 2.513 0 40 BFAB C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N(C)C2CC2)o1 65516644 JSBSTHQIWUGXDZ-MFKMUULPSA-N 247.338 2.956 0 40 BFAB C[C@@H](c1ccccn1)N(C)C(=O)NCC1CCC1 68397781 RDVDUQUECBEBHQ-NSHDSACASA-N 247.342 2.584 0 40 BFAB CCCNC(=O)c1ccc2c(c1)CCCC2 70192877 YYBBGACHLAGODF-UHFFFAOYSA-N 217.312 2.705 0 40 BFAB Fc1cccc(-n2cc(Br)cn2)c1 72193387 YMGIRVWFCXBSCN-UHFFFAOYSA-N 241.063 2.774 0 40 BFAB CNc1ncc([C@H](O)c2ccccc2)cc1C 72222021 VBWZCBXFDQTDRU-CYBMUJFWSA-N 228.295 2.513 0 40 BFAB Cc1cc(C(=O)NCc2ccccc2)c(C)n1C 74701823 CZXSCGWZXCDYHW-UHFFFAOYSA-N 242.322 2.572 0 40 BFAB Cc1ncc(NC(=O)OC(C)(C)C)s1 82164223 LTEBHMFRYPZULH-UHFFFAOYSA-N 214.290 2.799 0 40 BFAB COc1ccc2nc(CC(C)C)[nH]c2c1 83187433 AGZYBDHGZGKRGR-UHFFFAOYSA-N 204.273 2.770 0 40 BFAB CCSCC[C@H](C)NC(=O)N1CC[C@H](C)C1 84812072 KTNAGOSFCMDXCH-QWRGUYRKSA-N 244.404 2.570 0 40 BFAB COc1c(Cl)ccnc1C(F)(F)F 85344962 KNILYBSADHVGPZ-UHFFFAOYSA-N 211.570 2.762 0 40 BFAB CN(CCc1ccccn1)c1ccc(Cl)cn1 89346488 UDODXQGMKUWXBW-UHFFFAOYSA-N 247.729 2.809 0 40 BFAB CC(C)=C[C@@H]1[C@@H](C(=O)NCc2ccno2)C1(C)C 95992921 WFKGXPUXZKGCBX-NEPJUHHUSA-N 248.326 2.529 0 40 BFAB Cc1c(C(=O)O)ccc(C(F)(F)F)c1F 96034438 JECYHAUUPAXQEF-UHFFFAOYSA-N 222.137 2.851 0 40 BFAB in-vitro CN(C(=O)NC[C@@H]1C[C@H]1c1ccccc1)C1CC1 96406271 JVOYSBMXQWTRLV-JSGCOSHPSA-N 244.338 2.594 0 40 BFAB CCCCCCc1nc(CCN)cs1 96526304 TWWFTKBGSKTRSJ-UHFFFAOYSA-N 212.362 2.767 0 40 BFAB CSC[C@H](C)NC(=O)N1CCC[C@@H](C)[C@H]1C 97010490 SFFGAUOYWMKFIS-OUAUKWLOSA-N 244.404 2.568 0 40 BFAB CC(C)[C@H]1C[C@H](O)c2cc(F)ccc2O1 130998625 UTDGIWTYNPLBGD-CMPLNLGQSA-N 210.248 2.666 0 40 BFAB O=c1ccc(C(F)(F)F)nn1[C@@H]1C=CCCC1 178878229 LMIPHYKKKHJZFL-MRVPVSSYSA-N 244.216 2.543 0 40 BFAB CC[C@H](C(=O)O)N(C)c1cccc(C)c1C 224981827 BPRLTCLLDITKKK-LLVKDONJSA-N 221.300 2.603 0 40 BFAB CCCO[C@H](Cc1ccc(Cl)cc1)C(=O)O 225062179 SQHANAJYTOFTLB-LLVKDONJSA-N 242.702 2.762 0 40 BFAB CCCCC[C@H]1CC[C@H](C(CO)CO)CC1 247648478 LLWMASNUGKCKMQ-JOCQHMNTSA-N 228.376 2.974 0 40 BFAB COC(=O)C1(c2cccc(C)c2C)CC1 257869958 QIKMKRDBGXPLCJ-UHFFFAOYSA-N 204.269 2.508 0 40 BFAB CC(C)OCc1ccnn1CCC(F)(F)F 408715354 AZRWZIOLVGXBRW-UHFFFAOYSA-N 236.237 2.761 0 40 BFAB CCC(=O)NCc1ccc(-c2ccco2)o1 575604915 HUOXVGLQXLSYAV-UHFFFAOYSA-N 219.240 2.566 0 40 BFAB COc1ccc(CNCc2ccc(C)o2)cc1 793401 AHRZZSIGHKSYCD-UHFFFAOYSA-N 231.295 2.886 0 40 BFAB O=C(Nc1ccc(Cl)cc1)c1ccccn1 3549445 YYKKCKLOYJLFAW-UHFFFAOYSA-N 232.670 2.987 0 40 BFAB C[C@@H]1O[C@H](c2ccccc2O)[C@H](C)[C@@H](C)O1 4023712 OSYQUVFLQIPNCW-DNJQJEMRSA-N 222.284 2.851 0 40 BFAB CCCCSN1C(=O)c2ccccc2C1=O 4401866 GVURDWLNXBZCCM-UHFFFAOYSA-N 235.308 2.731 0 40 BFAB Cc1ccccc1C(=O)N(C)Cc1ccco1 12976598 MTMFGYHXNYWIGW-UHFFFAOYSA-N 229.279 2.860 0 40 BFAB Clc1cccc(COC2CCNCC2)c1 14631882 KMNQDLVEBGIYBS-UHFFFAOYSA-N 225.719 2.609 0 40 BFAB Cc1ccc(C)c([C@H](NN)c2ccccc2)c1 19388551 HOUMPVPREWRNPH-OAHLLOKOSA-N 226.323 2.856 0 40 BFAB C[C@@H](N)[C@@H]1C[C@@H]1c1c(F)cccc1Cl 20594442 CZKQSLLXAYNKFM-CSMHCCOUSA-N 213.683 2.930 0 40 BFAB Cc1cc(C)c2nc(NCCN(C)C)sc2c1 26424043 IMOUOAMPLMZTHC-UHFFFAOYSA-N 249.383 2.887 0 40 BFAB COc1ccc2[nH]cc(CNCC(C)C)c2c1 30714458 OQFQCYUVJYOFLS-UHFFFAOYSA-N 232.327 2.922 0 40 BFAB biogenic CC(C)(C)c1cccc2c1OCCC2=O 36928563 RYISAMGVJMRICQ-UHFFFAOYSA-N 204.269 2.949 0 40 BFAB COCc1ccc(Br)s1 39374808 QSQQAKKFHNTDAV-UHFFFAOYSA-N 207.092 2.657 0 40 BFAB in-vitro CC[C@@H](O)c1ccccc1Br 39648203 SMYHFDLFOKKDOO-SECBINFHSA-N 215.090 2.893 0 40 BFAB Cc1noc(CSc2ncccc2Cl)n1 40489676 ZTYYHHDUYHUXPB-UHFFFAOYSA-N 241.703 2.719 0 40 BFAB COc1ccc(/C=C/C(=O)O)c(C(F)(F)F)c1 44214330 KIZGTKORCAWIMH-HWKANZROSA-N 246.184 2.812 0 40 BFAB Cc1nc(C(=O)N2CCc3ccccc32)cs1 49307105 KLYZSSWRIICFMR-UHFFFAOYSA-N 244.319 2.654 0 40 BFAB CCC(=O)N1CCC[C@@H]1Cc1ccccc1 55529818 AWLUPQBTHTZBBP-CYBMUJFWSA-N 217.312 2.630 0 40 BFAB Cc1cnn(-c2ccc(C(=O)O)c(Cl)c2)c1 61848424 FCKFGWISGPADSM-UHFFFAOYSA-N 236.658 2.532 0 40 BFAB O=C(C1CCCCC1)N1CCOc2ccccc21 71499499 SNNIDROTQCPJKU-UHFFFAOYSA-N 245.322 2.992 0 40 BFAB CCCN(CCC)c1ccc(C(=O)O)c(C)n1 72224324 JGRLUNFPFNPHGZ-UHFFFAOYSA-N 236.315 2.715 0 40 BFAB CN(Cc1ccc(F)c(F)c1)Cc1ccccn1 78887316 BMSCEPFPBRBYQD-UHFFFAOYSA-N 248.276 2.992 0 40 BFAB CC[C@@H](c1ccccc1)N(CC(=O)O)C(C)C 79421336 IGMQATMCWIJLGP-ZDUSSCGKSA-N 235.327 2.933 0 40 BFAB c1ccc(SCCSc2cn[nH]n2)cc1 95463598 VBYOVMDGXVZLKL-UHFFFAOYSA-N 237.353 2.689 0 40 BFAB O=[S@]1OC2(CCCCC2)c2ccccc21 96194091 AIRNGUPTGBTTFR-OAHLLOKOSA-N 222.309 2.899 0 40 BFAB CCN(C[C@H](N)CCSC)C1CCCCC1 96523868 UEMCHYRWCXPGHN-GFCCVEGCSA-N 244.448 2.721 0 40 BFAB Cc1nc(C2CC2)[nH]c(=O)c1Cc1ccccc1 96530934 CVPJIMHPPJHLRR-UHFFFAOYSA-N 240.306 2.547 0 40 BFAB CCOC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F 116471210 FJOCZSQTGFWPNX-YUMQZZPRSA-N 226.222 2.631 0 40 BFAB CC(=O)[C@@H]1CN(Cc2ccccc2)CC1(C)C 150270742 DUADLVYNRRWWEQ-AWEZNQCLSA-N 231.339 2.734 0 40 BFAB Cc1ccc(N2CCN[C@H]3CCCC[C@H]32)cc1 218832510 JKKFKYFPQRLDGM-LSDHHAIUSA-N 230.355 2.716 0 40 BFAB Cc1noc(NC(=O)[C@@H]2CCCCS2)c1C 273082712 MORDHWIMYIMPPT-VIFPVBQESA-N 240.328 2.516 0 40 BFAB Cc1cncc(O[C@H]2CCc3ccccc32)n1 585651139 KWEWFQGYZDDGNC-ZDUSSCGKSA-N 226.279 2.851 0 40 BFAB Cc1ccc(Cl)c(=O)n1-c1ccccc1 642882642 YFPHOGJXDFJMMZ-UHFFFAOYSA-N 219.671 2.799 0 40 BFAB CC(C)(C)OC(=O)N1CC[C@]12CCCC(=O)C2 953102191 SFPUOYBPDKGTIK-ZDUSSCGKSA-N 239.315 2.509 0 40 BFAB COc1ccccc1-c1cnc(NC2CC2)nc1 1888853654 GOKNGMAYUGUNLY-UHFFFAOYSA-N 241.294 2.727 0 40 BFAB O=C(Nc1ccncc1)[C@@H]1C[C@@H]1c1ccccc1 461487 NOMFGVQIYPJHNJ-ZIAGYGMSSA-N 238.290 2.824 0 40 BFAB CCN(CC)C(=O)/C=C/c1ccc(F)cc1 586208 VFORABASALCVBX-JXMROGBWSA-N 221.275 2.707 0 40 BFAB Cc1cc(NC(=O)c2cccc(Cl)c2)[nH]n1 5401775 IRFUAGRGWAHBMN-UHFFFAOYSA-N 235.674 2.624 0 40 BFAB CCc1cc2c(s1)CCCCC(=O)N2 5719356 DCNBRBDFZVGERF-UHFFFAOYSA-N 209.314 2.975 0 40 BFAB Cc1ccc(C(=O)NOCc2ccccc2)cc1 6922796 NRUUDJWNAZHGPT-UHFFFAOYSA-N 241.290 2.857 0 40 BFAB CC(C)c1n[nH]c(N)c1-c1ccc(F)cc1 8701438 XMAUIAYBBOOFGZ-UHFFFAOYSA-N 219.263 2.921 0 40 BFAB COc1cccc(NCc2ccc(C(=O)O)o2)c1 8702206 OFHGQNXDXZHDJL-UHFFFAOYSA-N 247.250 2.599 0 40 BFAB Cc1cccc(COC(=O)c2cccnc2)c1 10040630 AAKDLHYQEPOYOT-UHFFFAOYSA-N 227.263 2.747 0 40 BFAB CSCCC(=O)Nc1cc(F)ccc1C 12852888 UVJDLLGIPPNXOQ-UHFFFAOYSA-N 227.304 2.826 0 40 BFAB O=C(Cc1cccc(F)c1)NC1CCCCC1 12928240 PDPKFRNZSBPZBD-UHFFFAOYSA-N 235.302 2.817 0 40 BFAB O=Cc1cccc(OCC(=O)c2ccccc2)c1 19737374 UOFLOJIBGLCVNN-UHFFFAOYSA-N 240.258 2.761 0 40 BFAB CC1CCC(NCC(=O)Nc2ccccc2)CC1 20050170 VLCHXPNJMWOEKB-UHFFFAOYSA-N 246.354 2.793 0 40 BFAB CCOc1ccc([C@H](C)CC(=O)O)cc1 20260009 SLOQGILGNKXAEI-SECBINFHSA-N 208.257 2.664 0 40 BFAB Cc1ccccc1-c1noc(C2CCNCC2)n1 20268743 KVQKQPYIMYBTQY-UHFFFAOYSA-N 243.310 2.512 0 40 BFAB Cc1ccc(C(=O)N2CCCC[C@H]2C)cc1N 21957393 ISQZYZHJHROFNQ-LLVKDONJSA-N 232.327 2.592 0 40 BFAB COc1ccccc1-c1c[nH]c([C@@H]2CCCN2)n1 36874122 BWTANHSHLWNNJB-NSHDSACASA-N 243.310 2.510 0 40 BFAB in-vitro Fc1cccc(-c2c[nH]c([C@H]3CCCN3)n2)c1 36874179 BQNGYXFMXLXMPO-LLVKDONJSA-N 231.274 2.640 0 40 BFAB in-vitro CCN(Cc1ccncc1)CC1(N)CCCCC1 42516910 QEYWUBSYMUYGOJ-UHFFFAOYSA-N 247.386 2.565 0 40 BFAB COc1ccc(C(=O)c2cc(C)ccn2)cc1 45028590 ZASQAIOQGSWNTP-UHFFFAOYSA-N 227.263 2.630 0 40 BFAB c1coc(CNc2cnnc3ccccc23)c1 46087260 COEORHYMPRJVTB-UHFFFAOYSA-N 225.251 2.835 0 40 BFAB O=C([C@H]1C[C@H]1c1cccc(F)c1)N1CCCC1 67125191 HLVOTBBKRZFXBS-STQMWFEESA-N 233.286 2.552 0 40 BFAB CCN1CCCC[C@@H]1c1cnc(OC)cc1C 72218032 BMBUMDDQFHTIAW-CYBMUJFWSA-N 234.343 2.946 0 40 BFAB CCCCn1cc(CNc2ncccc2C)cn1 72226471 RUUAHZPEMYWQFJ-UHFFFAOYSA-N 244.342 2.999 0 40 BFAB CO[C@@]1(C)C[C@H](NC2CCSCC2)C1(C)C 72926277 ZXNCXGJZFUZVMV-AAEUAGOBSA-N 243.416 2.675 0 40 BFAB Fc1cc2ncc(N3CCCC3)nc2cc1F 74278363 MTJJQGYNNMMLLX-UHFFFAOYSA-N 235.237 2.508 0 40 BFAB CN(c1ccccc1)c1ccccc1C(N)=O 78873053 VFDXCJPNOYIVGC-UHFFFAOYSA-N 226.279 2.553 0 40 BFAB CCS[C@H]1CCC[C@@H](NC(=O)N(C)CC)C1 84760733 OCSXWZBMOSQJNP-MNOVXSKESA-N 244.404 2.712 0 40 BFAB CC[C@H](N)COCc1ccc(C(F)(F)F)cc1 89262688 OSOFDRMQBRDDEP-NSHDSACASA-N 247.260 2.959 0 40 BFAB Cc1ccoc1[C@H](C)NC[C@@H](O)CC(C)C 90061978 FOFQWNZGXXGCLW-RYUDHWBXSA-N 225.332 2.646 0 40 BFAB CCN(CC)[C@@H](C)C(=O)Nc1ccc(C)cc1 95902727 AFTVATCFZSMIFA-LBPRGKRZSA-N 234.343 2.664 0 40 BFAB C[C@@H](O)[C@@H](O)C(c1ccccc1)c1ccccc1 96319150 UBXVULCUJFPOFQ-MLGOLLRUSA-N 242.318 2.560 0 40 BFAB O=C(Nc1ncccc1Cl)[C@@H]1C[C@@H]1C1CC1 97046949 CJKHKRZLNASZQB-RKDXNWHRSA-N 236.702 2.720 0 40 BFAB C[C@H]1NCc2ccc(Br)cc21 220170390 IBIGOVJFWZFPET-ZCFIWIBFSA-N 212.090 2.613 0 40 BFAB CCO[C@H](Cc1cc(Cl)ccc1C)C(=O)O 225078566 ZHPBXHXEMWSYTG-LLVKDONJSA-N 242.702 2.681 0 40 BFAB CCOC(=N)c1cc(Br)ccc1O 228918206 QCJDSTQWPAVKDW-UHFFFAOYSA-N 244.088 2.517 0 40 BFAB Cc1ccc(NC(=O)/C=C/c2ccco2)cc1N 256050761 GJRMLGMWMMNGOD-VOTSOKGWSA-N 242.278 2.822 0 40 BFAB C[C@H](C(=O)Nc1ccccn1)c1ccccc1 142446 LHPOUVZZNFLHER-NSHDSACASA-N 226.279 2.824 0 40 BFAB CCN(CC)c1ccc([C@H]2OC[C@H](C)O2)cc1 1687963 LPYDWCRHMGHNFL-FZMZJTMJSA-N 235.327 2.967 0 40 BFAB c1ccc(C2(c3ccccc3)CNC2)cc1 2029450 IWLFFEFWBYZAAI-UHFFFAOYSA-N 209.292 2.576 0 40 BFAB CCn1ncc(NC(=O)c2ccc(F)cc2)c1C 2796395 IMENWQNKWUKCBK-UHFFFAOYSA-N 247.273 2.603 0 40 BFAB Cc1nc2ccc(C(=O)N3CCCC3)cc2s1 4739773 GFEYANQYHDTMGT-UHFFFAOYSA-N 246.335 2.841 0 40 BFAB C[S@](=O)c1ccc2c(c1)-c1ccccc1C2=O 4975127 FJGXKUAYBBNDCI-QGZVFWFLSA-N 242.299 2.635 0 40 BFAB O=C(Nc1ccc(F)cc1)[C@H]1CC1(Cl)Cl 6340590 YODOOKWMHGXGAC-MRVPVSSYSA-N 248.084 2.958 0 40 BFAB CC1=CC(C)=Nc2c(ccc3nonc23)N1 6493263 XGIJURXPUUVVQP-UHFFFAOYSA-N 214.228 2.645 0 40 BFAB CC[C@@H](C(=O)O)n1c(C)cc2ccccc21 8702176 HIZNQKVIJSAJSL-NSHDSACASA-N 217.268 2.985 0 40 BFAB C[C@H]1C[C@H]1C(=O)N(C)Cc1cccc(Cl)c1 12976584 ZWSWWFLJLVFDRG-JOYOIKCWSA-N 237.730 2.954 0 40 BFAB COc1ccc2nc(-c3cccc(N)c3)[nH]c2c1 13113776 XKDJQTPRYYOATP-UHFFFAOYSA-N 239.278 2.821 0 40 BFAB Cc1cc(N)ccc1OCc1ccco1 14630466 VMRDQUKOPKSXCC-UHFFFAOYSA-N 203.241 2.749 0 40 BFAB Cc1cccc(O[C@@H]2CCCC[C@@H]2N)c1 19384724 DFOCZGSNKRHCGJ-QWHCGFSZSA-N 205.301 2.644 0 40 BFAB in-vitro COc1ccc(SCCCC(=O)O)cc1 19394770 OMEZZCIYLLHOEH-UHFFFAOYSA-N 226.297 2.652 0 40 BFAB in-vitro N[C@@H](c1cccc(C(F)(F)F)c1)C(F)F 20475337 WMEKOGNKRBECFX-ZETCQYMHSA-N 225.160 2.970 0 40 BFAB in-vitro C[C@@H](c1cccs1)N(C)C(=O)C1CC1 32841969 MUFOTCOIISPALD-QMMMGPOBSA-N 209.314 2.678 0 40 BFAB Cc1ccccc1[C@H](C)NC(=O)C1CCC1 32978728 OJPLPJQEPNCOAA-NSHDSACASA-N 217.312 2.972 0 40 BFAB CCOC(=O)[C@@H]1CCC[C@H]1Nc1ccccc1 34062827 QGPNXJMZTWTKJY-CHWSQXEVSA-N 233.311 2.830 0 40 BFAB C[C@@H]1CCCN(C(=O)c2cc(Cl)ccn2)C1 36804043 UNSWOZHXRYDQLP-SECBINFHSA-N 238.718 2.607 0 40 BFAB CCN(CC)c1ccc2cccc(O)c2n1 41669623 JILVFKYFXCDAJS-UHFFFAOYSA-N 216.284 2.787 0 40 BFAB C[C@H]1CCCCN1Cc1nnc(C(C)(C)C)o1 46837892 LLWIOIXXFXGGNC-JTQLQIEISA-N 237.347 2.742 0 40 BFAB CCC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 55274560 FISZKMZDSPXLAU-SFYZADRCSA-N 223.238 2.634 0 40 BFAB Cc1cccc(C(=O)N[C@@H](C)C(C)C)c1 57159998 YACSGCBVGZVBRZ-NSHDSACASA-N 205.301 2.769 0 40 BFAB CCN(CC)C(=N)Nc1ccc(F)cc1 59497700 XYBFDLWJBQKYEL-UHFFFAOYSA-N 209.268 2.514 0 40 BFAB FC(F)(Cl)C(F)(F)Br 63146293 SXIPFAJOOHZHIQ-UHFFFAOYSA-N 215.371 2.806 0 40 BFAB in-vitro CCOC(=O)c1coc(-c2ccc(F)cc2)n1 71603500 UAXZGKAXBLXDTI-UHFFFAOYSA-N 235.214 2.657 0 40 BFAB C[C@H](NC(=O)c1ccc2c(c1)OCO2)C(C)(C)C 71900033 OEZPGJQCHBJWNB-VIFPVBQESA-N 249.310 2.580 0 40 BFAB O[C@@H](C[C@@H]1CCCCCN1)c1cccs1 72314400 QWXLNLHPFKERAM-QWRGUYRKSA-N 225.357 2.704 0 40 BFAB in-vitro c1ccc(-c2cc([C@H]3CCCNC3)n[nH]2)cc1 74941731 QBZXVBLHBBDFGS-LBPRGKRZSA-N 227.311 2.544 0 40 BFAB CCN(CC(=O)O)c1ccc(Cl)cc1Cl 76633287 ARQRYHXLGPIECR-UHFFFAOYSA-N 248.109 2.904 0 40 BFAB COC(=O)CCc1c[nH]c2c(C)cccc12 76858253 NRKPACGMNKMEQQ-UHFFFAOYSA-N 217.268 2.582 0 40 BFAB COc1ccc(Cl)c(/C=C/C(=O)O)c1F 83293613 YMKDHWZGHDTKNM-GORDUTHDSA-N 230.622 2.586 0 40 BFAB Cc1ccc2c(c1)OCCN2C(=O)C1CCC1 89657427 NCBNDCQWLFWOGQ-UHFFFAOYSA-N 231.295 2.521 0 40 BFAB COc1ccc(CN2CCCCC2)s1 92107507 TZMWEWUXKFRDEP-UHFFFAOYSA-N 211.330 2.743 0 40 BFAB Fc1ccc2nc(CC3CCNCC3)oc2c1 93679704 WYOYGSYQNWZOBR-UHFFFAOYSA-N 234.274 2.509 0 40 BFAB Fc1cc(Cl)nc(Br)c1 95768779 JKKDCCWYJMBJCO-UHFFFAOYSA-N 210.433 2.637 0 40 BFAB O=C(OCc1c(F)cccc1F)c1ccncc1 97049138 HFORUKSWLKMFOX-UHFFFAOYSA-N 249.216 2.717 0 40 BFAB Cc1ccc(-n2nc(C)c(C)c2O)cc1 100070129 VLCSKTBCWYQAQV-UHFFFAOYSA-N 202.257 2.503 0 40 BFAB Cc1cc(Br)cc(C2OCCO2)c1 118195608 WOBAOYLJBQWYAC-UHFFFAOYSA-N 243.100 2.803 0 40 BFAB CCCN(CCO)CC1=CC[C@H]2C[C@@H]1C2(C)C 526580 MPKIIGPFHJAQPX-KBPBESRZSA-N 237.387 2.683 0 40 BFAB biogenic COc1ccc(CC[C@@]2(C)OC[C@H](C)O2)cc1 1666195 UOUFTMUYBCIYBY-FZMZJTMJSA-N 236.311 2.779 0 40 BFAB CCCC[C@@H](CC)[C@H](O)CC(=O)OCCC 1696897 JRKICFRGZMKSPH-VXGBXAGGSA-N 230.348 2.907 0 40 BFAB O=C(c1cccc(CN2CC=CC2)c1)C1CC1 2515424 DYAZHYCQEZJSPG-UHFFFAOYSA-N 227.307 2.651 0 40 BFAB O=[S@@](C[C@H](O)c1ccccc1)c1ccccc1 5104734 HDGGJVKMRKWGGQ-WMLDXEAASA-N 246.331 2.528 0 40 BFAB CCOC(=O)c1cnoc1-c1cccc(OC)c1 8700088 AFCHYUIXRDFXMP-UHFFFAOYSA-N 247.250 2.527 0 40 BFAB CC(C)CNC(=S)c1ccc(N(C)C)cc1 9927966 ZFMXDMTZFBOOKO-UHFFFAOYSA-N 236.384 2.674 0 40 BFAB Cc1ccc([C@@H](CC(=O)O)C2CC2)cc1 11628806 FLZVLJWUNKKFGA-GFCCVEGCSA-N 204.269 2.963 0 40 BFAB Cc1cccc(C(=O)NCc2csc(C)n2)c1 15832144 ADAKHIJZTABLQJ-UHFFFAOYSA-N 246.335 2.690 0 40 BFAB C[C@@H]1CCC[C@@H](C)N1C[C@@H](O)c1ccccc1 17002473 GIRIKTUDEYKNBW-UMVBOHGHSA-N 233.355 2.983 0 40 BFAB Nc1nc(Cl)nc2c(C(F)(F)F)cccc12 26899430 DAUOCNLXXKUALB-UHFFFAOYSA-N 247.607 2.884 0 40 BFAB C[C@H]1CCCN(C(=O)c2cc(Cl)c[nH]2)C1 29509737 KLOHOOOKGXEDIH-QMMMGPOBSA-N 226.707 2.540 0 40 BFAB O=C(O)c1cccc2cc(F)c(F)cc12 34535164 NVPLEEUOFXVSAY-UHFFFAOYSA-N 208.163 2.816 0 40 BFAB Cc1ccccc1C(=O)N1C[C@H](C)OCC1(C)C 36075958 MLBGDSCCGGWOAC-LBPRGKRZSA-N 247.338 2.635 0 40 BFAB N[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 37425110 GJBXYYOESOABGQ-DTWKUNHWSA-N 202.084 2.808 0 40 BFAB Cc1cc(C(C)(C)C)c(O)c(C)c1CC(=O)O 38518582 SZKABAZTVCKJNT-UHFFFAOYSA-N 236.311 2.934 0 40 BFAB in-vitro COc1ccc([C@@H](O)c2ccco2)c(C)c1 40246255 XAOJXTWBUQPYCG-CYBMUJFWSA-N 218.252 2.678 0 40 BFAB Cc1ccc(NC(=O)c2ccc(F)c(F)c2)nc1 41818873 ZOURKBVCQDQACF-UHFFFAOYSA-N 248.232 2.921 0 40 BFAB Nc1cc(Nc2ccccc2)nc(C2CC2)n1 49467571 CVJITXFUUKRDJW-UHFFFAOYSA-N 226.283 2.680 0 40 BFAB CC[C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21 57547482 VRZFSVSRERGWKE-ZYHUDNBSSA-N 233.311 2.673 0 40 BFAB CCCCNC(=O)CCc1ccc(F)cc1 62062289 WOHXPYIMTKRSLP-UHFFFAOYSA-N 223.291 2.675 0 40 BFAB CCN(CC)c1ccc([C@@H]2C[C@H]2CNC)cc1 62494909 DABXNEZNMIQRFL-ZFWWWQNUSA-N 232.371 2.856 0 40 BFAB Cc1nc2ccccc2nc1SCC(C)(C)O 71914712 PGXSAMCMLKZLOY-UHFFFAOYSA-N 248.351 2.801 0 40 BFAB CCCO[C@@H](C)c1ccc(CCO)cc1 72220197 BGAFUZJTVIVCRA-NSHDSACASA-N 208.301 2.709 0 40 BFAB Cc1ccc([C@H](C)N)c(Br)c1 84479939 UOEHGGOUIGMJPK-ZETCQYMHSA-N 214.106 2.777 0 40 BFAB C[C@@H](NCCSC(C)(C)C)C1CCOCC1 89516268 KAGJBACSOOFKLX-LLVKDONJSA-N 245.432 2.923 0 40 BFAB Cc1nc(COC(=O)c2cccnc2)c(C)s1 91755959 QUHPPORIQMHNCP-UHFFFAOYSA-N 248.307 2.512 0 40 BFAB Cc1cn2c(n1)[C@H](CNC1CCCCC1)CCC2 95402069 LXTGMMPOLOEHJH-ZDUSSCGKSA-N 247.386 2.991 0 40 BFAB Cc1ncccc1CNc1ccc2[nH]ncc2c1 95440143 UITQPOSXROVECE-UHFFFAOYSA-N 238.294 2.878 0 40 BFAB COC(=O)c1cccc2nc(Cl)sc12 95642482 XXBIXQZTZMYQLP-UHFFFAOYSA-N 227.672 2.736 0 40 BFAB Cc1ccc(/C(=C\C(=O)O)C2CC2)cc1 96319314 YXTBYLXKPMDEAR-XYOKQWHBSA-N 202.253 2.873 0 40 BFAB c1cc2c(cc1-c1nc(C3CC3)no1)CCO2 98009566 FYAPEDFSDPRDEG-UHFFFAOYSA-N 228.251 2.549 0 40 BFAB CS[C@H]1CCCC[C@H]1NC(=O)NC1CCC1 98012735 BFVWTHJVGQKKFP-MNOVXSKESA-N 242.388 2.512 0 40 BFAB Cc1ccc(C[C@@]2(O)C[C@H](C)N(C)C[C@H]2C)cc1 100704121 PPFGJYUAWQBXHF-YCPHGPKFSA-N 247.382 2.629 0 40 BFAB Cc1cccc(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)n1 101126698 BFYXIFPDPBGSPZ-SDDRHHMPSA-N 230.311 2.765 0 40 BFAB CCOC(=O)C/C=C/c1ccc(F)cc1 138870731 BMJINJLLYIJNBZ-ONEGZZNKSA-N 208.232 2.792 0 40 BFAB C[C@@H](NN)c1c(Cl)cccc1Cl 161784918 NUGVRIWTZLKNST-RXMQYKEDSA-N 205.088 2.518 0 40 BFAB C[C@H](Cc1ccoc1)NC(=O)c1ccccc1F 206661166 YAWXYCSMSHUIGJ-SNVBAGLBSA-N 247.269 2.780 0 40 BFAB Cc1cccc(-c2cnc([C@@H]3CCCN3)cn2)c1 616580667 ZQPGZDHMQQILRF-ZDUSSCGKSA-N 239.322 2.877 0 40 BFAB COc1nc2cccc(Cl)c2cc1C(=O)O 685936860 CRDVPZXPKHVPEF-UHFFFAOYSA-N 237.642 2.595 0 40 BFAB Cc1cccc(C(=O)O[C@H](C)CN2CCCC2)c1 210631 XWNMZXQEEFPOCT-CYBMUJFWSA-N 247.338 2.636 0 40 BFAB CSc1ccc2nc(NC(C)=O)sc2c1 5299077 TUKFUPRPMSMENK-UHFFFAOYSA-N 238.337 2.977 0 40 BFAB Cc1oc(C(=O)O)cc1-c1ccccc1 5536699 JQUQRAVKCSSXQW-UHFFFAOYSA-N 202.209 2.953 0 40 BFAB COc1cccc(C)c1[C@H]1C[C@H]2CCCN2O1 5641132 SHGNNDWQMPJFTO-DGCLKSJQSA-N 233.311 2.844 0 40 BFAB CCCCc1ccc2[nH]c(=O)c(C=O)cc2c1 6024392 KVZAGGXTSLGJRW-UHFFFAOYSA-N 229.279 2.683 0 40 BFAB CCCOc1ccccc1C(=N)OCC 6757483 JUTSDGNBZVSBAM-UHFFFAOYSA-N 207.273 2.837 0 40 BFAB in-vitro COc1ccc(/C=C/c2noc(C)c2N)cc1 9646674 SPZBRFKVWZLTKE-VMPITWQZSA-N 230.267 2.744 0 40 BFAB in-vitro O=C1Cc2ccccc2N1Cc1ccccc1 12376448 QHXKZUNCOGOKRX-UHFFFAOYSA-N 223.275 2.776 0 40 BFAB biogenic CC(C)=CCOc1cc(=O)n(C)c2ccccc12 15267320 MADRTKVOWFLSFO-UHFFFAOYSA-N 243.306 2.884 0 40 BFAB biogenic Cc1[nH]n(-c2ccccc2)c(=O)c1C(C)C 18180305 JEROJODGMFWEAA-UHFFFAOYSA-N 216.284 2.597 0 40 BFAB CCCCNC(=O)Nc1cccc2c1NCCC2 20256964 GKVWUBRPGGYGBL-UHFFFAOYSA-N 247.342 2.966 0 40 BFAB in-vitro CC(=O)N[C@@H](C)c1cc2ccccc2o1 23927561 WSYPVWZYSIODQX-QMMMGPOBSA-N 203.241 2.630 0 40 BFAB O[C@@H](CNCc1ccccc1)c1ccccc1F 32102084 NNQZIZLUNQZBSG-HNNXBMFYSA-N 245.297 2.649 0 40 BFAB Cc1ccc([C@@H](C)NC(=O)C2CCCC2)o1 32721743 BHLUDVSDPKHETM-SNVBAGLBSA-N 221.300 2.955 0 40 BFAB Cc1ccc(C(=O)N[C@@H](C)c2ccccc2)cn1 32895410 LGNLSGRHVQITAO-LBPRGKRZSA-N 240.306 2.881 0 40 BFAB c1ccc2c(c1)CCC[C@H]2Nc1cn[nH]c1 35763706 JSRBXUQRLZWRKC-CYBMUJFWSA-N 213.284 2.899 0 40 BFAB Fc1ccc(NCc2cc[nH]n2)cc1Cl 36900280 XJWGUPHIJOHFFH-UHFFFAOYSA-N 225.654 2.814 0 40 BFAB COc1ccc([C@@H](O)C(F)(F)F)c(C)c1 41043132 YYSHRVGUPRWIID-SECBINFHSA-N 220.190 2.599 0 40 BFAB C[C@H](SCc1ccccc1)C(=O)N1CCCC1 46804270 DATUQKZZDYMWPY-LBPRGKRZSA-N 249.379 2.931 0 40 BFAB CC(=O)Cc1ccc(F)cc1Br 53765726 NOUVOMJCKOALKS-UHFFFAOYSA-N 231.064 2.720 0 40 BFAB in-vitro CCOc1ccc(C(=O)CC)cc1OC 71455506 FRZIEMDEZPIKQY-UHFFFAOYSA-N 208.257 2.687 0 40 BFAB c1cc(-c2cc(-c3ccncc3)[nH]n2)ccn1 85397145 VXDOXUTXOVPJLW-UHFFFAOYSA-N 222.251 2.534 0 40 BFAB Cc1[nH]ncc1[C@H](C)NCc1ccc(F)cc1 95427007 SHUVXZZBSOTAME-VIFPVBQESA-N 233.290 2.708 0 40 BFAB CCCCOc1cc(C)c(CO)c(C)c1 95739721 XGPHKUXRLNTIDY-UHFFFAOYSA-N 208.301 2.975 0 40 BFAB CSCCCC(=O)Nc1cc(F)ccc1O 96452120 NKIZFGKGQADBJX-UHFFFAOYSA-N 243.303 2.613 0 40 BFAB O=C(O)CCS[C@@H]1C=Nc2ccccc21 100567092 AAPMSBLKKFTBMF-SNVBAGLBSA-N 221.281 2.652 0 40 BFAB COc1cc(F)c(F)cc1C(=O)C(F)(F)F 101106414 BVEDNPHTVVFQEB-UHFFFAOYSA-N 240.127 2.718 0 40 BFAB Cc1ccc(C(=O)C(C)(C)CC(=O)O)cc1 221424466 DKFBAKMGMRITOJ-UHFFFAOYSA-N 220.268 2.679 0 40 BFAB CC(C)Nc1ccc(N)cc1C(=O)OC(C)C 225452368 LYUNASNPUQDLHS-UHFFFAOYSA-N 236.315 2.654 0 40 BFAB Brc1cncc2c1ncn2C1CC1 225742179 ZVBAOCAMMGMRHG-UHFFFAOYSA-N 238.088 2.529 0 40 BFAB CCCCCNCc1cc(C(F)(F)F)nn1C 256053790 SWHKYAMESXZNKQ-UHFFFAOYSA-N 249.280 2.719 0 40 BFAB CO[C@@H]1CCN(CCCCCF)[C@@H](C)C1 330033078 WGOIPPKGQAUJQI-NWDGAFQWSA-N 217.328 2.626 0 40 BFAB C[S@@](=N)(=O)Cc1cccc(Cl)c1 1565504761 CNSHURBLJRQJIW-GFCCVEGCSA-N 203.694 2.517 0 40 BFAB NC(=O)C1c2ccccc2C=Cc2ccccc21 1162 HXQAPLNYYFQSFU-UHFFFAOYSA-N 235.286 2.788 0 40 BFAB in-man COC(=O)c1cccc(NC(=O)C2CCCC2)c1 3559186 ILTMMZVOMVGTMK-UHFFFAOYSA-N 247.294 2.602 0 40 BFAB O=C(NCCc1ccccc1)[C@@H]1C[C@H]2CC[C@@H]1C2 4155684 YIFVFWQJUWDRFL-RRFJBIMHSA-N 243.350 2.782 0 40 BFAB CCCCCc1ccc(C(=O)NC)cc1 6203595 YHZIEBNBMCBXAS-UHFFFAOYSA-N 205.301 2.779 0 40 BFAB N[C@H](c1cccs1)c1ccccc1F 19842108 ARPNIAYLTPIXDA-NSHDSACASA-N 207.273 2.935 0 40 BFAB Cc1cc(N)c(NC(=O)C(C)(C)C)cc1C 20157519 FTJMOVLBMSFXOJ-UHFFFAOYSA-N 220.316 2.870 0 40 BFAB CCc1cc(C(=O)Nc2cc(C)ccc2O)no1 20191960 JVUKICJXYKJTQD-UHFFFAOYSA-N 246.266 2.503 0 40 BFAB Cc1cc(NC[C@@H](C)c2ccccc2)nn1C 20351662 TYKCTZXRYXXRAG-LLVKDONJSA-N 229.327 2.944 0 40 BFAB Brc1[nH]ncc1-c1ccccc1 22126625 ZFJXWTGRCQGNMS-UHFFFAOYSA-N 223.073 2.839 0 40 BFAB C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(N)cc1 22172762 ZMYAMKAVLJRVIV-GWCFXTLKSA-N 232.327 2.577 0 40 BFAB CC(C)OC(=O)[C@H](C)n1cnc2ccccc21 26474474 OHJAWECPZJCNPJ-JTQLQIEISA-N 232.283 2.549 0 40 BFAB CCCNC(=O)c1cc(-c2ccc(C)cc2)no1 31207936 VODQDAPGWZYDBX-UHFFFAOYSA-N 244.294 2.790 0 40 BFAB N#Cc1ccc(C#Cc2ccc(C#N)cc2)cc1 32255304 RODZDHZWUDEBGU-UHFFFAOYSA-N 228.254 2.830 0 40 BFAB COC(=O)c1ccc(SC)c(Cl)c1 33953160 RKEOCHLSEHNYMF-UHFFFAOYSA-N 216.689 2.849 0 40 BFAB CCOC(=O)c1cc(-c2ccncc2)sc1N 34439167 LKBUBSZCCSFVKF-UHFFFAOYSA-N 248.307 2.569 0 40 BFAB Fc1ccc(OCCC2CCNCC2)c(F)c1 34972602 OJLKXPUYWDICOG-UHFFFAOYSA-N 241.281 2.733 0 40 BFAB C#CCN(Cc1ccccc1)C(=O)/C=C/C=C/C 39277342 PZZQPHVWFWFXGG-PPRDQHCASA-N 239.318 2.781 0 40 BFAB COC1=N[C@H]2C=Cc3ccccc3[C@@H]1C=C2 45027682 CAXDTYIMWMMSFE-AAEUAGOBSA-N 211.264 2.780 0 40 BFAB C[C@@H]1CCCC[C@H]1NCCC(=O)OC(C)(C)C 47219000 FEWBONHQPJCKJQ-VXGBXAGGSA-N 241.375 2.887 0 40 BFAB Cc1ccc2c(c1)nc(-c1ccncc1)n2C 48526522 ZEWNNEBEXGPANT-UHFFFAOYSA-N 223.279 2.944 0 40 BFAB O=C(C1CC1)N1CCC[C@@H]1Cc1ccc(F)cc1 55998613 IVAAWFARCDDWMX-CQSZACIVSA-N 247.313 2.769 0 40 BFAB COc1ccc2oc(C(=O)N3CCC3)c(C)c2c1 60633264 QUEXYGXVPINMKE-UHFFFAOYSA-N 245.278 2.596 0 40 BFAB CCn1ccnc1[C@@H](O)CCc1ccccc1 69496723 VONKBAVUYUMSHF-ZDUSSCGKSA-N 230.311 2.569 0 40 BFAB in-vitro Cc1cc(COc2ccccc2C)no1 70243426 NBKRXKODKZLHEL-UHFFFAOYSA-N 203.241 2.870 0 40 BFAB O=C(O)c1nc2ccc(Cl)cc2cc1F 71255614 LYGCRCOMABQCRP-UHFFFAOYSA-N 225.606 2.726 0 40 BFAB CSC(=S)N(C#N)c1cccs1 71792301 HZLBQYIHICVLBM-UHFFFAOYSA-N 214.340 2.683 0 40 BFAB Cc1cc([C@@H]2CCCCN2C)cnc1S 72218274 APSMQBIOZXCFOG-NSHDSACASA-N 222.357 2.836 0 40 BFAB Cc1nc(Oc2ccccc2)ccc1CO 72224190 AFXGZHDIKPECSQ-UHFFFAOYSA-N 215.252 2.675 0 40 BFAB CCCNc1ccc([C@@H](N)c2ccccc2)cn1 72225228 JIALQHNOQOJFCU-HNNXBMFYSA-N 241.338 2.952 0 40 BFAB N[C@@H](CNc1ncc(Cl)cc1Cl)C1CC1 82593873 MKEPOHCFKQVKAM-VIFPVBQESA-N 246.141 2.538 0 40 BFAB COc1cc2c(C)c(C=O)[nH]c2cc1Cl 82600102 DBTHXXOHEQFIJK-UHFFFAOYSA-N 223.659 2.951 0 40 BFAB in-vitro COc1ccccc1/C=C/CNc1ccn(C)n1 89756685 BFKCORZPVGXBMQ-FNORWQNLSA-N 243.310 2.554 0 40 BFAB Cc1cc(F)ccc1[C@@H](O)c1cccn1C 95727810 JRWQLOVXQUBKNH-CYBMUJFWSA-N 219.259 2.554 0 40 BFAB COC(=O)c1ccc2onc(C(F)(F)F)c2c1 95917904 RFTZZSGGSZHFKE-UHFFFAOYSA-N 245.156 2.633 0 40 BFAB C[C@H](CCCN(C)C)N[C@@H]1CCc2ccccc21 96009141 ZNRLYUZRFPMSPK-CZUORRHYSA-N 246.398 2.994 0 40 BFAB O=C(Nc1ncccc1Cl)[C@@H]1C[C@H]1C1CC1 97046951 CJKHKRZLNASZQB-DTWKUNHWSA-N 236.702 2.720 0 40 BFAB O=C(O)c1cccc(OC(F)(F)F)c1Cl 141392731 WOMXORLJLQSCTD-UHFFFAOYSA-N 240.564 2.937 0 40 BFAB CC[C@H](C)NC(=O)CCc1ccc(OC)c(C)c1 225163299 JSYAZHMRWIMDIN-LBPRGKRZSA-N 249.354 2.851 0 40 BFAB O=c1cc(-c2cc(Cl)cc(Cl)c2)nc[nH]1 236065561 AOHJWGYECUGKSD-UHFFFAOYSA-N 241.077 2.744 0 40 BFAB O=Cc1c(C(F)(F)F)cc(F)c(F)c1F 1504206541 UVWRLIFRSOYKRQ-UHFFFAOYSA-N 228.091 2.935 0 40 BFAB Oc1c(C(F)(F)F)ccc2cnccc12 1857790676 XOTKZSHKKRNAFY-UHFFFAOYSA-N 213.158 2.959 0 40 BFAB Cc1ccc(OC(=O)COc2ccccc2)cc1 363401 IBLQVARQXQONFX-UHFFFAOYSA-N 242.274 2.979 0 40 BFAB Cc1nn2c(-c3ccccn3)ccnc2c1Cl 1403934 JQXPOGBPBFFCDV-UHFFFAOYSA-N 244.685 2.753 0 40 BFAB c1ccc(C2=NO[C@H](c3ccsc3)N2)cc1 3255814 SQWSKQMRENKWSF-GFCCVEGCSA-N 230.292 2.728 0 40 BFAB Cc1[nH]c2ccccc2c1C1=CCNCC1 3959350 JLVLNPGKFHWCCQ-UHFFFAOYSA-N 212.296 2.853 0 40 BFAB in-vitro CC1(C)CSC(NC2CCCCC2)=N1 4698105 VCWVWBSXLQJCKD-UHFFFAOYSA-N 212.362 2.790 0 40 BFAB C[C@@H]1CCC[C@@H](C)N1NC(=O)c1ccccc1 6851588 VZVLPRGJSSZVAB-VXGBXAGGSA-N 232.327 2.594 0 40 BFAB O=C(C[C@@H]1C=CCC1)Nc1ccccc1O 15518894 XLDCFSFHPOQNEY-SNVBAGLBSA-N 217.268 2.687 0 40 BFAB Nc1ccccc1C(=O)Nc1cccc(F)c1 19675292 UUNGQEZMZQDIKE-UHFFFAOYSA-N 230.242 2.660 0 40 BFAB Nc1ccc2c(c1)N(Cc1ccccc1)CC2 19779380 IWJSFAHMBNVJIU-UHFFFAOYSA-N 224.307 2.832 0 40 BFAB in-vitro COc1cccc(O[C@@H]2CCCCC[C@@H]2N)c1 23070122 FUSNBRSJYDOIHR-UONOGXRCSA-N 235.327 2.734 0 40 BFAB Cc1cc2c(c(=O)o1)C=C1CCCC[C@H]1O2 26897561 OOEUMXVXNXRROJ-LLVKDONJSA-N 218.252 2.667 0 40 BFAB Cc1ccc(C(=O)N(C)Cc2ccccc2)cn1 32901350 DBOQFZWMPIMDIF-UHFFFAOYSA-N 240.306 2.662 0 40 BFAB O=C(O)c1coc(/C=C/c2ccccc2)n1 34119809 NMVNTFMOEXEYIC-VOTSOKGWSA-N 215.208 2.543 0 40 BFAB COc1ccc(CC(=O)O)cc1-c1ccccc1 34929344 JHXCUSZPZNECKH-UHFFFAOYSA-N 242.274 2.989 0 40 BFAB in-vitro C[C@@H](N[C@H]1CCSC1)c1cccc(O)c1 37150997 YYQKETQUIXZXRK-KOLCDFICSA-N 223.341 2.548 0 40 BFAB COC(=O)C[C@@H](C)CC(=O)c1cccs1 39019683 GHWSYMGCDYXSQA-QMMMGPOBSA-N 226.297 2.520 0 40 BFAB Cc1ncsc1C(=O)N1CCc2ccccc21 40529081 KGJHZJVMUXLZPR-UHFFFAOYSA-N 244.319 2.654 0 40 BFAB CC(=O)Cc1c(Cl)ccc(C)c1F 43502054 VAZWUVLJMGTFCQ-UHFFFAOYSA-N 200.640 2.919 0 40 BFAB O=C(CCCn1cccc1)NCc1cccs1 49030970 IJVFUVWSJZIKII-UHFFFAOYSA-N 248.351 2.646 0 40 BFAB CCC(C)(C)NCc1nnc(-c2ccco2)o1 58029369 YIGITDGDSRAXFT-UHFFFAOYSA-N 235.287 2.608 0 40 BFAB CCOC(=O)c1ccccc1OC(C)C 62170306 SFXZXBLZLJGFKJ-UHFFFAOYSA-N 208.257 2.651 0 40 BFAB Cc1cccn(Cc2ccccc2Cl)c1=O 69814405 YJYUMTOLYYEDCL-UHFFFAOYSA-N 233.698 2.858 0 40 BFAB C[C@H](N)c1cc(Br)ccc1F 71451548 DNTVTHQJTIIMMB-YFKPBYRVSA-N 218.069 2.608 0 40 BFAB N[C@@H]1CCCc2cccc(Br)c21 71614684 ZSWFVACTSWMVQG-SECBINFHSA-N 226.117 2.785 0 40 BFAB CC(C)(C)c1ncc(/C=C/C(=O)O)s1 71790789 IPKFRAJDXFKWQW-SNAWJCMRSA-N 211.286 2.538 0 40 BFAB in-vitro O=C(NCc1ccoc1)C1(c2ccccc2)CC1 71820887 GVPHCOIRARTQNX-UHFFFAOYSA-N 241.290 2.628 0 40 BFAB COC(=O)Cc1ccc([C@H](C)OC(C)C)cc1 72220189 HVSZXINNJUXEGH-NSHDSACASA-N 236.311 2.888 0 40 BFAB CSc1ccc(OCCN2CCCC2)cc1 76423028 PSHQIIOAUVYNHJ-UHFFFAOYSA-N 237.368 2.883 0 40 BFAB CCCc1csc(-c2cccc(C(N)=O)c2)n1 78868876 KJOVPAFBTZYANI-UHFFFAOYSA-N 246.335 2.862 0 40 BFAB CN[C@H]1c2cccc(Br)c2C[C@H]1C 86719410 CKGXHRVZKLFNSZ-RDDDGLTNSA-N 240.144 2.902 0 40 BFAB CC1(C)OC(=O)c2cc(Br)ccc21 88190219 OIAQBIFAALGMAC-UHFFFAOYSA-N 241.084 2.855 0 40 BFAB CCN(C(=O)NC(C)C)c1ccc(OC)cc1 95409250 QMVYWHBJLCDTBK-UHFFFAOYSA-N 236.315 2.640 0 40 BFAB CC(C)n1ccc(Cn2ccc(C3CC3)n2)n1 95438637 SEGGUJAZFBAURS-UHFFFAOYSA-N 230.315 2.586 0 40 BFAB CCCCCOc1ccc(N(C)C(N)=O)cc1 95980750 MBRJQIFYAJREMO-UHFFFAOYSA-N 236.315 2.771 0 40 BFAB CC[C@@H](NC(=O)COC)C(C)(C)c1ccccc1 96422442 JERHATMKGNXFPP-CYBMUJFWSA-N 249.354 2.505 0 40 BFAB CSC[C@H](C)N[C@@H](C)c1ccc(C)o1 96477984 LAHYIEMXUJHGJZ-WPRPVWTQSA-N 213.346 2.990 0 40 BFAB CCOC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F 116471212 FJOCZSQTGFWPNX-HTQZYQBOSA-N 226.222 2.631 0 40 BFAB CCCOc1ccccc1[C@@H](C)NCCOC 225160506 HWSPQYMUQZUXST-GFCCVEGCSA-N 237.343 2.772 0 40 BFAB Fc1ccc(N2N=C[C@H]3C=CCC[C@H]32)cc1 242522442 ISXYTOHIZSYXKU-ZWNOBZJWSA-N 216.259 2.966 0 40 BFAB CC(C)c1ncc(C=O)c2c1CCCC2 242677102 SYSIGBREQURSDO-UHFFFAOYSA-N 203.285 2.896 0 40 BFAB CCn1[nH]c(=N)cc1COc1cc(C)ccc1C 408715729 CYCHTKOIJUTVHO-UHFFFAOYSA-N 245.326 2.511 0 40 BFAB CCCCn1nccc1COCC(C)C 408716890 SGOZXMSMWSIDIU-UHFFFAOYSA-N 210.321 2.856 0 40 BFAB CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)C2F 710681184 FVSSPBLWVXILNP-ULKQDVFKSA-N 229.295 2.601 0 40 BFAB CC1(C)CN=C(Nc2ccccc2)S1 135011 YIPRTJZUHWOBBD-UHFFFAOYSA-N 206.314 2.980 0 40 BFAB CCc1ccc(C(=O)Nc2nnc(C)s2)cc1 188383 CPFSTWMGYQYOSS-UHFFFAOYSA-N 247.323 2.661 0 40 BFAB CC1=CC[C@H]2CO[C@H](CN3CCCCC3)[C@@H]1C2 518649 JFVBLVUPDVJWIA-RBSFLKMASA-N 235.371 2.844 0 40 BFAB biogenic c1ccc(C2(c3ccccc3)CCNC2)cc1 1654115 LBUQNQBKDPMBFO-UHFFFAOYSA-N 223.319 2.966 0 40 BFAB C/C=C(/C)C(=O)OCCc1ccccc1 2002632 KVMWYGAYARXPOL-JYOAFUTRSA-N 204.269 2.739 0 40 BFAB endogenous,in-man O=C(O)c1[nH]nc2ccc(-c3ccco3)cc12 2547950 HMHKDEYWHPQDOC-UHFFFAOYSA-N 228.207 2.521 0 40 BFAB CCCCNC(=O)NCc1ccc(Cl)cc1 2640204 LCXDPQWZKSIOLX-UHFFFAOYSA-N 240.734 2.939 0 40 BFAB CC(C)(O)C[C@@](C)(O)c1ccc(Cl)cc1 3830834 SNJDSTGQYRTZJT-GFCCVEGCSA-N 228.719 2.709 0 40 BFAB in-man CC1(C)[C@@H]2CCC(=O)[C@@]3(C)CC[C@](C)(O)[C@H]3[C@@H]21 4104716 GMEVHQNPFFEYHN-DJOIZQNCSA-N 236.355 2.789 0 40 BFAB biogenic,in-vitro CCC[C@H](C)C(=O)Nc1ccccc1N 8703396 PDTIUNJKTJJDPS-VIFPVBQESA-N 206.289 2.644 0 40 BFAB COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H]1C 9647621 SINRAOCJXRTBQW-APPZFPTMSA-N 239.702 2.943 0 40 BFAB CC(C)n1c(C(=O)O)cc2sccc21 13564048 BZSICTMDRRDSSX-UHFFFAOYSA-N 209.270 2.982 0 40 BFAB Cc1cccc(C(=O)Nc2ccncc2)c1C 17584829 FRXWSPBWQXAZHM-UHFFFAOYSA-N 226.279 2.951 0 40 BFAB CC[C@@H](C)N1CCN(C2CCCCC2)CC1 19900134 WNFAXYCQJBSZMK-CYBMUJFWSA-N 224.392 2.735 0 40 BFAB CCC(C)(C)NC(=O)c1ccc(N)cc1Cl 21956820 OKZWALVNLSMRLX-UHFFFAOYSA-N 240.734 2.841 0 40 BFAB in-vitro Cc1nc2ccccc2c(C)c1C(=O)N(C)C 22461317 ZCWOTOJOQITGJI-UHFFFAOYSA-N 228.295 2.553 0 40 BFAB O[C@H](c1cccc(Cl)c1)c1ccccn1 30952734 FBGQCTZCPITIQD-GFCCVEGCSA-N 219.671 2.817 0 40 BFAB O=C(CCCc1ccccc1)N1CCSCC1 34373133 FOSPYMVDWVSNEQ-UHFFFAOYSA-N 249.379 2.585 0 40 BFAB C[C@@H]1CC[C@H]([S@](=O)c2ccccc2)C(=O)C1 38272527 IOEXQTWDEVPGTC-HICWGWBUSA-N 236.336 2.552 0 40 BFAB in-vitro Cc1cc(=O)c2cccc(Cl)c2n1C 40164076 REKCOLVHXHRVMX-UHFFFAOYSA-N 207.660 2.500 0 40 BFAB COC(=O)c1cc(N)ccc1Nc1ccccc1 41079719 HGSJXVBBABMPRM-UHFFFAOYSA-N 242.278 2.799 0 40 BFAB O=C(Nc1cccc(F)c1F)N1CCCC1 49415050 ZFQDYDBWQSDYMS-UHFFFAOYSA-N 226.226 2.593 0 40 BFAB Clc1ccc(COC[C@H]2CCCN2)cc1 51816386 DPPOITNBBMMGKN-GFCCVEGCSA-N 225.719 2.609 0 40 BFAB CN(C)C(=O)CCc1ccc2ccccc2c1 54146699 GRLIEFQKACFUSY-UHFFFAOYSA-N 227.307 2.861 0 40 BFAB Cc1ccc(F)cc1[C@H](O)C(F)(F)F 61893764 LWHAEKRZDHGPRO-QMMMGPOBSA-N 208.154 2.730 0 40 BFAB CC(C)C[C@@H](CN)N[C@H](C)c1ccccc1 62151982 KKVIPCWNLAUNJZ-OCCSQVGLSA-N 220.360 2.711 0 40 BFAB in-vitro Cc1cc(F)cc2c(O[C@@H](C)C(=O)O)ccnc12 64874789 SMHZMLZOWNOJAS-QMMMGPOBSA-N 249.241 2.534 0 40 BFAB CNC(=O)C1(c2cccc(C)c2)CCCC1 69534173 FYDAZPXRXSZHNA-UHFFFAOYSA-N 217.312 2.553 0 40 BFAB CCCCN(C)c1nc(C)nc2[nH]ccc12 72307754 KIRKNZNXFSCZON-UHFFFAOYSA-N 218.304 2.503 0 40 BFAB Cc1cc(-c2csc(CO)n2)c(C)s1 75093216 MURNFHHIOIYCCJ-UHFFFAOYSA-N 225.338 2.981 0 40 BFAB CC(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1 78152230 QFLGJBVPCJJYCM-KGLIPLIRSA-N 217.312 2.534 0 40 BFAB COc1cccc(-n2ccc(C=O)c2C)c1 78582629 PDLRSDXMTSOWGR-UHFFFAOYSA-N 215.252 2.607 0 40 BFAB CC1(C)[C@@H](O)[C@@]2(Br)CC[C@]1(C)C2 85398886 NDKVCUVWTLQJQW-SZEHBUNVSA-N 233.149 2.711 0 40 BFAB CC[C@@H](C)C(=O)c1cc(OC)cc(OC)c1 87124019 GOFWMKZHSWKKPS-SECBINFHSA-N 222.284 2.933 0 40 BFAB Cc1noc(-c2ccsc2Br)n1 95215821 YSEGDMVBZMNWOR-UHFFFAOYSA-N 245.101 2.869 0 40 BFAB N=C(N)Cc1ccc(Cl)c(C(F)(F)F)c1 228950764 MYVVYUBOTKAMFI-UHFFFAOYSA-N 236.624 2.837 0 40 BFAB CCCNCCO[C@H]1CC[C@]12CCC21CC1 242463789 DLJOSLRSVABURD-JSGCOSHPSA-N 223.360 2.725 0 40 BFAB C[C@@H](Oc1cccc(Br)c1)[C@@H]1CO1 256053372 RDXVBICGWDNSOB-XCBNKYQSSA-N 243.100 2.615 0 40 BFAB COC(=O)CCCC(=O)c1ccccc1Cl 259801857 UYOBDHRKCFVBJM-UHFFFAOYSA-N 240.686 2.866 0 40 BFAB Cc1c(Cl)cccc1N(C)[C@H](C)C(=O)O 260679555 RQENEYRKXJPHIV-MRVPVSSYSA-N 227.691 2.558 0 40 BFAB CCCC(=O)c1cccc(OC(C)=O)c1 308836577 WQQFKMMCQTUESB-UHFFFAOYSA-N 206.241 2.595 0 40 BFAB CCOC(=O)C[C@H]1C(=O)CCCc2ccccc21 124685 ZWVINYLQUPOCTD-CYBMUJFWSA-N 246.306 2.629 0 40 BFAB O=C(O)/C(S)=C\C=C\c1ccccc1 579112 JOPSFFUFGFILRK-DAAQNPAKSA-N 206.266 2.598 0 40 BFAB O=C(c1ccccc1)C(F)(Cl)Cl 1675544 BUFWRQDRYOXTTP-UHFFFAOYSA-N 207.031 2.970 0 40 BFAB CC(C)(C)C(=O)CCCCCC(=O)O 2378788 AOVHCOMMGZKIIE-UHFFFAOYSA-N 200.278 2.637 0 40 BFAB CSc1nnc(C2CC2)n1-c1ccccc1 2524024 ROSOGEPUGMRYOY-UHFFFAOYSA-N 231.324 2.867 0 40 BFAB Cc1ccc(C2=NC(C)(C)N=C2S)cc1 4891239 DSJGQDOITKPJGO-UHFFFAOYSA-N 218.325 2.862 0 40 BFAB c1ccc(CN[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 4900821 DOMDOUHZPYAOCT-BFHYXJOUSA-N 201.313 2.965 0 40 BFAB CCN(CC)C(=O)c1ccc(C)c(C)c1 5452888 UUWSTOHUWMZQCT-UHFFFAOYSA-N 205.301 2.785 0 40 BFAB CC(=O)Nc1cc(Cl)cc2cccnc12 5856539 SMBCHABNGHJANY-UHFFFAOYSA-N 220.659 2.847 0 40 BFAB CNC(=S)Nc1cccc(Cl)c1Cl 6332892 AYTKNAXMMPYYEQ-UHFFFAOYSA-N 235.139 2.910 0 40 BFAB C[C@@H](Oc1ccccc1F)c1nnc(S)o1 6651989 LINKAHPMWFUZGI-ZCFIWIBFSA-N 240.259 2.637 0 40 BFAB S=C(S)c1ccc(C(=S)S)cc1 6863207 YRBZDTZNXBKGGQ-UHFFFAOYSA-N 230.404 2.897 0 40 BFAB Nc1ccccc1-c1ccc(/C=C/C(=O)O)o1 8701972 ACPQHZWAYDYZMG-SOFGYWHQSA-N 229.235 2.627 0 40 BFAB CONC(=O)c1ccc(-c2ccccc2)cc1 10224539 RUSYUBYSGWCDAN-UHFFFAOYSA-N 227.263 2.645 0 40 BFAB c1cc2c(cc1OCC[C@H]1CCCNC1)CCC2 14632375 OTZRTVIJIISUQG-CYBMUJFWSA-N 245.366 2.944 0 40 BFAB Cc1ccccc1O[C@@H](C)CNC[C@@H]1CCCO1 19737893 QQMGUCADIKMKLI-KBPBESRZSA-N 249.354 2.531 0 40 BFAB Cc1ccc(C)c2sc(NC(N)=S)nc12 20160079 XDNQXAVIMWHFAE-UHFFFAOYSA-N 237.353 2.569 0 40 BFAB COc1ccccc1-c1cnc(Cl)cn1 22115898 LETILTMEMFYESA-UHFFFAOYSA-N 220.659 2.806 0 40 BFAB O=c1ccc2cccc(C(F)(F)F)c2[nH]1 26474687 SLXMBAQEDCJVIJ-UHFFFAOYSA-N 213.158 2.547 0 40 BFAB in-vitro O=C(O)c1cc(C(F)(F)F)c2cccnc2c1 32264236 ZFNMNVQKXVILFW-UHFFFAOYSA-N 241.168 2.952 0 40 BFAB Cc1c[nH]c2ccc(Br)cc2c1=O 32501172 MXFVISHUVAMWKW-UHFFFAOYSA-N 238.084 2.599 0 40 BFAB CCN(CC)C(=O)c1cc(-c2cccs2)[nH]n1 32610898 HTZUWKZEJGQZMU-UHFFFAOYSA-N 249.339 2.620 0 40 BFAB O=C(C[C@H]1C=CCC1)N1CCCCCC1 32747664 JEWPZPOYDLMPEP-LBPRGKRZSA-N 207.317 2.745 0 40 BFAB Cc1n[nH]cc1CNC[C@@H](C)c1ccccc1 35273994 RMLFKIMQKPAOGB-LLVKDONJSA-N 229.327 2.611 0 40 BFAB CCN(CCC1CCNCC1)Cc1ccccc1 36156151 MQBLGWJPBBFNDP-UHFFFAOYSA-N 246.398 2.898 0 40 BFAB CC(C)Cc1noc(CN2CCCCCC2)n1 42665377 IIDRPHRSKXIYMW-UHFFFAOYSA-N 237.347 2.644 0 40 BFAB Cc1ccc(C(=O)C[C@H](C)CC(=O)O)c(C)c1 43214296 SXQPNPJMDDUDEB-JTQLQIEISA-N 234.295 2.987 0 40 BFAB O=C(Cc1ccccc1F)N1CCCCCC1 70237118 KNNXHIICAQMFNV-UHFFFAOYSA-N 235.302 2.771 0 40 BFAB COC(=O)c1ncccc1-c1cccc(F)c1 72209372 IMJDXXYYRUVOHY-UHFFFAOYSA-N 231.226 2.674 0 40 BFAB CCN(C)c1ccc([C@@H]2CCCCN2C)cn1 72212730 VYFXNGMAZYRLCR-ZDUSSCGKSA-N 233.359 2.695 0 40 BFAB CC(C)C(=O)N1CCC[C@@H](Cc2ccccn2)C1 72361261 UTESONTUNJJISY-ZDUSSCGKSA-N 246.354 2.519 0 40 BFAB CC(C)C[C@H](N)c1nc2cccnc2n1C1CC1 88872131 BTYGSVFJZFGJQD-NSHDSACASA-N 244.342 2.812 0 40 BFAB N[C@@H](CSC(F)(F)F)Cc1ccccc1 91252829 XCEYQFRSOMOEFE-SECBINFHSA-N 235.274 2.809 0 40 BFAB Cn1cccc1[C@@H](O)c1cc(F)cc(Cl)c1 95727652 VPYUJHRDKFNTLW-LBPRGKRZSA-N 239.677 2.899 0 40 BFAB CCN(CC(F)(F)F)C(=O)C[C@@H]1C=CCC1 97263599 QNEACNONZSNSBX-SECBINFHSA-N 235.249 2.754 0 40 BFAB Cn1cc(-c2csc(-c3ccncc3)n2)cn1 98013120 DXAWJLUUWVFVEL-UHFFFAOYSA-N 242.307 2.606 0 40 BFAB Oc1c(C(F)(F)F)ccnc1Br 98209945 WCJIWARBOXDWMW-UHFFFAOYSA-N 241.994 2.569 0 40 BFAB in-vitro CC1(C)COC(C23CC(Br)(C2)C3)=N1 166497697 UBDACKOKCRKNNI-UHFFFAOYSA-N 244.132 2.511 0 40 BFAB CCn1ncc2c1C[C@@H](C(F)(F)F)CC2 575424361 KKBKIIJXSMDDGS-QMMMGPOBSA-N 218.222 2.570 0 40 BFAB CC(=O)c1cc(Cl)nc(Cl)c1C 725328474 NRFYYUZPMBITSA-UHFFFAOYSA-N 204.056 2.899 0 40 BFAB O=C1CCC(Cc2ccccc2)=NN1C1CCC1 871943056 WYEAATFCNUFXIM-UHFFFAOYSA-N 242.322 2.760 0 40 BFAB CN(c1ccccc1)S(=O)(=O)c1ccccc1 245250 KRXAPUFKQQWAGK-UHFFFAOYSA-N 247.319 2.512 0 40 BFAB C[n+]1ccc(-c2nc3ccccc3s2)cc1 405541 QAKINMXJEBLOPG-UHFFFAOYSA-N 227.312 2.788 0 40 BFAB CCCN(CCC)c1nc(C)c2c(n1)CCC2 1394120 WZBPUSNHVLZQIU-UHFFFAOYSA-N 233.359 2.900 0 40 BFAB COc1ccc(CNc2cccnc2)cc1 5586789 MNPKYSMEPHFZNC-UHFFFAOYSA-N 214.268 2.702 0 40 BFAB CN(Cc1ccco1)C(=O)Nc1ccccc1 12923706 ISNDKQXLVSIMJT-UHFFFAOYSA-N 230.267 2.944 0 40 BFAB CC(C)CSc1nnc(S)s1 15923753 LZWJKDGGWUOHSF-UHFFFAOYSA-N 206.361 2.575 0 40 BFAB CCN[C@H](C)c1ccc2c(c1)OCCCO2 19802117 QFJAEXOJFZSESN-SNVBAGLBSA-N 221.300 2.518 0 40 BFAB in-vitro CN1CCc2[nH]c3ccc(Cl)cc3c2C1 19929688 KFCWIHUDWIRLEE-UHFFFAOYSA-N 220.703 2.809 0 40 BFAB biogenic,in-vitro CCNc1cccc(Br)c1 19941900 KBCJPWUCWTXJEW-UHFFFAOYSA-N 200.079 2.881 0 40 BFAB in-vitro CC[C@@H](NCCCOC)c1ccccc1 20142295 HBAMCTHYBBJPPU-CYBMUJFWSA-N 207.317 2.764 0 40 BFAB NCc1ccc(NC(=O)c2ccc(F)cc2)cc1 20224327 WQHSLXCCHINLNQ-UHFFFAOYSA-N 244.269 2.537 0 40 BFAB CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)O)cc1 20392223 NOGUBTGKXFAAGO-RYUDHWBXSA-N 204.269 2.998 0 40 BFAB in-vitro CC[C@@H](Oc1cccc(C)c1C)C(=O)N(C)C 20490006 CVRWAQFHUCNFHP-GFCCVEGCSA-N 235.327 2.549 0 40 BFAB CC[C@@H](C)NC(=O)c1cccc2ncccc12 27339088 SAJXLQGMDCLCCU-SNVBAGLBSA-N 228.295 2.763 0 40 BFAB CNC(=O)C1(c2cccc(Cl)c2)CCC1 32906765 ZTZXRSHMVUZHHA-UHFFFAOYSA-N 223.703 2.508 0 40 BFAB CC(=O)c1ccc2c(c1)OC1(CCCC1)O2 34213490 PJFVDZLZOFYOPA-UHFFFAOYSA-N 218.252 2.931 0 40 BFAB O=C1CCCOc2c(Br)cccc21 36926603 QRVUNSFWSWJJHJ-UHFFFAOYSA-N 241.084 2.804 0 40 BFAB in-vitro CCc1ccc([C@@H](CN)N(CC)CC)cc1 38860314 ZQVOMQCKKHRCLC-CQSZACIVSA-N 220.360 2.591 0 40 BFAB in-vitro COc1ccc(SC[C@@H]2CCCN2)cc1 43497126 XYHOWPFALCDPKQ-JTQLQIEISA-N 223.341 2.539 0 40 BFAB COc1ccc(OC)c2c1[C@@H]1CC[C@H]2[C@H](O)[C@H]1C 44143856 PBLXHRFSCYJJPB-SQAHSGDDSA-N 248.322 2.675 0 40 BFAB O=C(O)C1(c2cc(F)cc(F)c2)CCCC1 49351242 LYNZEVPXFDEQTD-UHFFFAOYSA-N 226.222 2.861 0 40 BFAB CC(C)NCc1cc(-c2cccc(F)c2)n[nH]1 50479169 JTZONJHHYQCDSZ-UHFFFAOYSA-N 233.290 2.714 0 40 BFAB Cc1noc(CN(CC2CC2)C2CCCCC2)n1 57631148 NRJWZGQPSWCPIZ-UHFFFAOYSA-N 249.358 2.923 0 40 BFAB CCOC(=O)c1c(NC)sc2c1CCCC2 59224460 JKQOLRJKCWVKDN-UHFFFAOYSA-N 239.340 2.845 0 40 BFAB CCO[C@H](CN)c1ccccc1C(F)(F)F 62711968 IHGPBJXCXSQJOJ-SNVBAGLBSA-N 233.233 2.742 0 40 BFAB CCOc1ccc([C@H]2CCCCN2C)cn1 72211794 DILRQRDWQOAXJO-GFCCVEGCSA-N 220.316 2.637 0 40 BFAB CC[C@@H](C)Nc1ccc([C@@H]2CCCN2C=O)cn1 72213479 ITKSNQDZRJLYPI-YPMHNXCESA-N 247.342 2.585 0 40 BFAB c1cnc(N2CCCCC2)c([C@@H]2CCCCN2)c1 72216114 JOIQCSNQEQOZHM-AWEZNQCLSA-N 245.370 2.887 0 40 BFAB Cc1cc([C@@H](C)O)cnc1N1CCCCCC1 72222484 YKVIFGFYCIGPTO-GFCCVEGCSA-N 234.343 2.824 0 40 BFAB Cc1ccc(CC2(C(=O)O)CCC2)cc1 83570107 RLVRUPHCEQHRIT-UHFFFAOYSA-N 204.269 2.792 0 40 BFAB CCCC(CCC)C(=O)CC1OCCO1 85652317 PEANQBXDHLQMLW-UHFFFAOYSA-N 214.305 2.535 0 40 BFAB CCCN(CC1CCC(CN)CC1)CC1CC1 93426245 GDKMBXOGZHUMRS-UHFFFAOYSA-N 238.419 2.874 0 40 BFAB Cc1ccc(/C=C/c2nc([C@H]3CCOC3)no2)o1 96462771 GSBMOVKEWLMDIG-YEZKRMTDSA-N 246.266 2.645 0 40 BFAB O=C(O)c1cc2cc[nH]c2cc1C(F)(F)F 380138206 PYLJSRYDIKDCSP-UHFFFAOYSA-N 229.157 2.885 0 40 BFAB Oc1ccc2c(c1)CC[N+]1=C2CC[C@H]2CCC[C@@H]21 685 AFZUMYMXNCDSQR-ABAIWWIYSA-O 242.342 2.712 0 40 BFAB in-man CCN1CCC(N[C@H](C)c2ccccc2)CC1 802057 FCHIXBOAKWKZHI-CYBMUJFWSA-N 232.371 2.822 0 40 BFAB O=C(O)c1ccc(-n2cnc3ccccc32)cc1 3888400 LVTAQCOHWAZNAV-UHFFFAOYSA-N 238.246 2.724 0 40 BFAB in-vitro C[C@@]1(n2nnc3ccccc32)CC1(Cl)Cl 4776228 CUOGNTJJQMOZST-SECBINFHSA-N 242.109 2.724 0 40 BFAB O=C(O)/C=C\c1cc(Br)ccc1F 4977473 ROTBALNVXDGIQY-RJRFIUFISA-N 245.047 2.686 0 40 BFAB CC[C@]1(C)C=C(S)N(c2ccccc2)N1 5875641 JWFOERFUNZUVEP-GFCCVEGCSA-N 220.341 2.951 0 40 BFAB O=C(O)/C=C\c1ccc(OC(F)(F)F)cc1 6191817 RNYVTJANWYBGPW-UTCJRWHESA-N 232.157 2.683 0 40 BFAB O=C(O)c1cc(O)ccc1C=C(Cl)Cl 12428543 SOLRYNIHQWBJLH-UHFFFAOYSA-N 233.050 2.866 0 40 BFAB CC[C@H](C)C(=O)N[C@H]1CCCc2occc21 12913640 GJDNNABSILAWNY-ONGXEEELSA-N 221.300 2.819 0 40 BFAB O=C(NCc1cccs1)c1ccsc1 13019586 FUOGZVKWJZEVSX-UHFFFAOYSA-N 223.322 2.740 0 40 BFAB CCC(CC)C(=O)NCCCCCCC(=O)O 19507719 LMXSEQQLUTZGIN-UHFFFAOYSA-N 243.347 2.574 0 40 BFAB Cc1ccccc1OCC[C@@H]1CCCCN1 20221481 GASKQDUUIXJMOK-ZDUSSCGKSA-N 219.328 2.906 0 40 BFAB Cc1ccc(NC(=O)c2ccc(F)cc2)c(N)c1 20343234 PNOLOKZKFUXWTQ-UHFFFAOYSA-N 244.269 2.969 0 40 BFAB Cc1nc(N)sc1Cc1c(F)cccc1F 35250891 OZIXSCGUSYBIEX-UHFFFAOYSA-N 240.278 2.903 0 40 BFAB C/C=C/C=C/C(=O)Nc1ncc(C)s1 36391250 PEHBUWDHVGXXIC-VNKDHWASSA-N 208.286 2.522 0 40 BFAB CC(C)CC(=O)N1CCC[C@H]1c1ccncc1 36397750 VCYFPBFWKFLFPZ-ZDUSSCGKSA-N 232.327 2.791 0 40 BFAB CC(C)CCNc1ccc(Cl)c(C(N)=O)c1 37045878 UPIYCMWYTYJJOD-UHFFFAOYSA-N 240.734 2.897 0 40 BFAB CC[C@H]1CCCCN1C(=O)CC[C@@H]1CCCO1 40505759 KFNWMMBKCVDUQE-STQMWFEESA-N 239.359 2.737 0 40 BFAB CCCC(=O)CC(=O)c1ccc(F)cc1 42413559 OXPJKLPYUMFOTG-UHFFFAOYSA-N 208.232 2.768 0 40 BFAB CC(C)c1ccc(OC2CNC2)c(Cl)c1 42769612 WZAJTHLSZBICMZ-UHFFFAOYSA-N 225.719 2.814 0 40 BFAB Fc1ccccc1-c1nc2c(s1)CNCC2 53335594 XZWBVOXGFWVENX-UHFFFAOYSA-N 234.299 2.595 0 40 BFAB CC[C@@H](C)C(=O)N1CCC[C@H](C(F)(F)F)C1 65491043 HAEVUMVRGZSTNO-BDAKNGLRSA-N 237.265 2.833 0 40 BFAB c1c[nH]c([C@H]2CCCN2CCc2ccncc2)c1 69774696 SUIDIQRANAXQEZ-OAHLLOKOSA-N 241.338 2.789 0 40 BFAB COc1cc(C(=O)O)c2ccccc2c1 71256859 KDCWMJAKDVZCAO-UHFFFAOYSA-N 202.209 2.547 0 40 BFAB CCOC(=O)c1cc(-c2ccc(C)cc2C)[nH]n1 71978733 DYPITNKGJVXECV-UHFFFAOYSA-N 244.294 2.870 0 40 BFAB CCc1ccc(NC(=O)CCN2CCCC2)cc1 72298441 MTBMRXJRMQPENX-UHFFFAOYSA-N 246.354 2.673 0 40 BFAB COc1ccc2nc(-c3ccc(O)cc3)[nH]c2c1 86576305 DADMNEOAKBEOHJ-UHFFFAOYSA-N 240.262 2.944 0 40 BFAB NC1(c2ccc(OC(F)(F)F)cc2)CCC1 95094235 JEJLXNLECOMLBX-UHFFFAOYSA-N 231.217 2.923 0 40 BFAB FC(F)(F)C(F)(F)SC[C@@H]1CCCN1 95918416 AHLWNWSMOWSOBU-YFKPBYRVSA-N 235.221 2.627 0 40 BFAB CCC[C@H](NC(C)=O)c1nc2ccccc2[nH]1 96319363 RWTBUDNOSHXENO-LBPRGKRZSA-N 231.299 2.540 0 40 BFAB CNC(=O)c1ccc(C(F)(F)F)cc1Cl 96491021 BQZMWFVDCLPNFX-UHFFFAOYSA-N 237.608 2.718 0 40 BFAB O=Cc1ccccc1OC[C@@H]1CC1(F)F 96515595 KVMIMJDTVGRNSA-VIFPVBQESA-N 212.195 2.533 0 40 BFAB CCC(=O)NCc1ccc(Cl)c(C)c1 97112034 LKROJIUIEPQNKV-UHFFFAOYSA-N 211.692 2.675 0 40 BFAB O[C@H]1CC[C@H](NCc2ccc(Cl)cc2)CC1 242495132 FVWZZFNLICGLMQ-JOCQHMNTSA-N 239.746 2.733 0 40 BFAB CC1CC(Cn2cc(Br)cn2)C1 242543273 JUWHVEZJNWZSFV-UHFFFAOYSA-N 229.121 2.692 0 40 BFAB FC(F)Sc1ccc2nc[nH]c2c1 604221596 LGDHGILMBVCDFP-UHFFFAOYSA-N 200.213 2.878 0 40 BFAB CCOC(=O)N[C@H](C)CCc1ccccc1 3047768 PUPHKXUBQHWHLD-LLVKDONJSA-N 221.300 2.754 0 40 BFAB COc1ccccc1NC(=O)c1ccc(N)cc1 3184701 DCVSWMVFHSQIJJ-UHFFFAOYSA-N 242.278 2.530 0 40 BFAB COc1ccc(C=O)cc1CNC1CCCCC1 4764287 ZLKPKEBMDDWIDJ-UHFFFAOYSA-N 247.338 2.930 0 40 BFAB O=C1CCCC[C@@H]1CNCc1ccccc1 5004847 QTNPYGCHZJXIBI-CYBMUJFWSA-N 217.312 2.536 0 40 BFAB CC(=O)Nc1ccccc1OCc1cc(C)on1 5111891 JBLYFDMSFFZKPB-UHFFFAOYSA-N 246.266 2.520 0 40 BFAB O=C(C1CCCCC1)N1CCCCCC1 5382522 UATTZKYRVHOFRE-UHFFFAOYSA-N 209.333 2.969 0 40 BFAB Cc1cccc(NC(=O)c2noc(C)c2C)c1 13641110 HKROIDGOFZTVRC-UHFFFAOYSA-N 230.267 2.852 0 40 BFAB Fc1cc(Cl)ccc1OC[C@H]1CCCNC1 14631371 BPTMSWAKKHHNQI-VIFPVBQESA-N 243.709 2.858 0 40 BFAB O=C(O)c1cc(C2CC2)nc2cc(F)ccc12 20284992 TVXRYZZREWPGFK-UHFFFAOYSA-N 231.226 2.950 0 40 BFAB Cc1ccc(NC(=O)Nc2cnn(C)c2C)cc1 28579911 JWYXDMWUMSUHQB-UHFFFAOYSA-N 244.298 2.681 0 40 BFAB Cc1ccccc1C(=O)N[C@@H](C)c1ccccn1 32973746 ZINHXDWFJYDCRI-LBPRGKRZSA-N 240.306 2.881 0 40 BFAB COCc1ccc(C(=O)C(F)(F)F)cc1 34308183 GXVXGSYZAHKUHX-UHFFFAOYSA-N 218.174 2.578 0 40 BFAB CCOc1ccc(C(F)(F)F)cc1C=O 39100359 KACNINQVHUIZRH-UHFFFAOYSA-N 218.174 2.917 0 40 BFAB CCCN(C)Cc1cccc(OC)c1OC 40540117 TYWVAXGZTACNNX-UHFFFAOYSA-N 223.316 2.546 0 40 BFAB c1csc([C@@H]2NCc3ccccc3N2)c1 68708828 MCPBTXHPLCKQIC-GFCCVEGCSA-N 216.309 2.962 0 40 BFAB CCCN1CCC[C@@H]1c1ccc(C)nc1 72211240 NZDJCULDWGRARY-CYBMUJFWSA-N 204.317 2.937 0 40 BFAB CCCC(=O)N1CCC(c2ccccn2)CC1 72350746 NXFORQFKCANCNY-UHFFFAOYSA-N 232.327 2.588 0 40 BFAB CCCCN(C)C(=O)c1cccc2nccnc12 74732985 HESJUBLIXBLMPX-UHFFFAOYSA-N 243.310 2.502 0 40 BFAB O=C(/C=C/C1CC1)Nc1ccc(Cl)nc1 79436737 VFKCKAQARBVKDT-ZZXKWVIFSA-N 222.675 2.640 0 40 BFAB O=C(c1cnccc1Cl)N1CCCCCC1 88109184 AOMHSDYSKIQSGV-UHFFFAOYSA-N 238.718 2.751 0 40 BFAB CC(C)c1cc(NCCCO)nc(C(C)C)n1 90065263 JBUNEGFVKCNGSL-UHFFFAOYSA-N 237.347 2.518 0 40 BFAB C[C@H](O)C1(c2cc(F)c(F)c(F)c2)CC1 95739112 NKKFCGCJMPBKAM-LURJTMIESA-N 216.202 2.516 0 40 BFAB CSC[C@@H](C)N(C)c1cccc(C)n1 97163316 OIQGCYLDKLNZEO-SNVBAGLBSA-N 210.346 2.578 0 40 BFAB COc1cc(F)c(F)cc1C(=O)C(C)C 107394281 KBZIPDDRQJCWNN-UHFFFAOYSA-N 214.211 2.812 0 40 BFAB CC(C)(C)OC(=O)Oc1ccccc1C=O 108640662 SENGEZPJIUIXTR-UHFFFAOYSA-N 222.240 2.813 0 40 BFAB CC1=CCC[C@@H](C)[C@H]1CNCc1ccnn1C 133985642 ZEEUMZFHRGXAFA-OCCSQVGLSA-N 233.359 2.502 0 40 BFAB C[C@@H](CCc1ccc(O)cc1)Nc1ccnn1C 136497355 IBGIZLSIKJAXAD-NSHDSACASA-N 245.326 2.559 0 40 BFAB COc1cccc(C(=O)NCC2=CCCCC2)c1 223381313 UKRZAUDOMHYFND-UHFFFAOYSA-N 245.322 2.925 0 40 BFAB Cc1c(CNC(C)C)c2cc(O)ccc2n1C 223768212 FVHJGOKPJQBHBM-UHFFFAOYSA-N 232.327 2.690 0 40 BFAB CCc1ccc(C[C@H](OC(C)C)C(=O)O)cc1 225044504 BSOIPHRZZVLVEK-ZDUSSCGKSA-N 236.311 2.670 0 40 BFAB CC(C)n1cc(CNCc2ccc(F)cc2)cn1 226237403 JEHSCCCNGBMOEW-UHFFFAOYSA-N 247.317 2.893 0 40 BFAB CNc1ccc(N2CCCC2)c(Cl)c1 226276132 SDSOOFPQFHOQCT-UHFFFAOYSA-N 210.708 2.982 0 40 BFAB CCCOCc1ccn(CCC(F)(F)F)n1 408715646 YPTXDRXXBXIASG-UHFFFAOYSA-N 236.237 2.762 0 40 BFAB O=C(O)[C@H]1C[C@H]1c1ccccc1OCC(F)F 408716093 ITSZTAGLDKTSAB-IUCAKERBSA-N 242.221 2.519 0 40 BFAB Nc1cc2ccc(F)cc2nc1OCC1CC1 685937327 NMCYSZLXODKZRV-UHFFFAOYSA-N 232.258 2.745 0 40 BFAB C[C@@H](CC(=O)N1CCC1(C)C)c1ccco1 859509029 OXHNGPLDRVVKNH-JTQLQIEISA-N 221.300 2.784 0 40 BFAB Cc1cccc(NC(=O)c2cccs2)n1 50231 GGIZNOYFCDEJFV-UHFFFAOYSA-N 218.281 2.704 0 40 BFAB Cc1csc2[nH]c(-c3ccccc3)c[n+]12 343134 DCMZKFFVBKTHRE-UHFFFAOYSA-O 215.301 2.790 0 40 BFAB O=C(Nc1ccccc1)OCc1cncs1 1403732 IURAMCUZZUHHPO-UHFFFAOYSA-N 234.280 2.892 0 40 BFAB Cc1cc[n+](C)c(Cc2ccccc2)c1C 1577766 FOACKANWPUCZDL-UHFFFAOYSA-N 212.316 2.719 0 40 BFAB CC[C@H](N)C(O)(c1ccccc1)c1ccccc1 1665759 JRNWOPXJUQQWDO-HNNXBMFYSA-N 241.334 2.660 0 40 BFAB Cc1cccc(NC(=O)c2cncc(Cl)n2)c1 3851954 LRVXOAJTCRFDRK-UHFFFAOYSA-N 247.685 2.691 0 40 BFAB biogenic CCc1cc2c(NC)nc(C)nc2s1 5017339 IYLWQRGTQSFDGO-UHFFFAOYSA-N 207.302 2.604 0 40 BFAB Cc1cc(C(=O)Nc2cc(F)ccc2C)on1 6789176 XAPISBIVPLWQMM-UHFFFAOYSA-N 234.230 2.683 0 40 BFAB Nc1ccc(N2CCCc3ccccc32)nc1 11568720 QPGPWDYYRQUBJT-UHFFFAOYSA-N 225.295 2.748 0 40 BFAB CCOC(=O)c1[nH]c2ccccc2c1C(C)=O 11803990 OBKLUIREWBKOKC-UHFFFAOYSA-N 231.251 2.547 0 40 BFAB CC[C@@]1(C)Cc2ccccc2-c2nc[nH]c(=O)c21 17057368 UTJRGNCYPLAFDJ-HNNXBMFYSA-N 240.306 2.661 0 40 BFAB c1ccc(-c2noc([C@H]3CCCCN3)n2)cc1 19230856 DELWBQUNMJKVQW-LLVKDONJSA-N 229.283 2.551 0 40 BFAB C[C@H](NN)c1ccc(Cl)cc1Cl 19271318 FKSIGVWCIYERMC-YFKPBYRVSA-N 205.088 2.518 0 40 BFAB Nc1nnc(-c2cc(Cl)cc(Cl)c2)o1 19404206 KPFHBSFTGVELLO-UHFFFAOYSA-N 230.054 2.626 0 40 BFAB in-vitro CCn1c(CCCCCN)nc2ccccc21 19734671 DZANHEJXGROVJC-UHFFFAOYSA-N 231.343 2.728 0 40 BFAB Cc1ccc(C(=O)Nc2cc(N)ccc2F)cc1 19736570 BHHKZAPANYCVLP-UHFFFAOYSA-N 244.269 2.969 0 40 BFAB CCCCNC(=O)[C@@H](C)Oc1ccccc1CC 30869997 WNSJENZIBHDJFL-GFCCVEGCSA-N 249.354 2.933 0 40 BFAB CSC[C@@H]1CCCN1C(=O)OC(C)(C)C 34182059 UXFUPNXBSGBAGM-VIFPVBQESA-N 231.361 2.749 0 40 BFAB COC(=O)c1ccc(-c2ccccc2)cc1N 35570322 VFGHBOADZPXLKY-UHFFFAOYSA-N 227.263 2.722 0 40 BFAB in-vitro O=c1[nH]ccc2c(Cl)cc(Cl)cc12 38435498 WGETXVFLGKZKCE-UHFFFAOYSA-N 214.051 2.835 0 40 BFAB COc1cc(-c2cccnc2)ccc1F 47212850 PTRNBBZVAODLDB-UHFFFAOYSA-N 203.216 2.896 0 40 BFAB COc1ccc(NC(=O)c2ccco2)cc1F 48324589 XOEXSNXJKFZNOR-UHFFFAOYSA-N 235.214 2.680 0 40 BFAB N[C@H](CC1CCOCC1)c1ccccc1 53817986 YVOLKFVPQYVOOC-CYBMUJFWSA-N 205.301 2.503 0 40 BFAB in-vitro N[C@@H](CC1CCOCC1)c1ccccc1 53817987 YVOLKFVPQYVOOC-ZDUSSCGKSA-N 205.301 2.503 0 40 BFAB in-vitro CC(C)[C@](C)(O)c1cc(F)cc(F)c1 55192002 RZZZGYZHRWQGTG-NSHDSACASA-N 200.228 2.828 0 40 BFAB CCOC(=O)C[C@](C)(CC)N1CCCCC1 70824312 GEXXYPUGDFNPMT-ZDUSSCGKSA-N 227.348 2.594 0 40 BFAB CCCCNc1ncccc1[C@@H]1CCCN1C=O 72213585 STTSVFBYLBOHNR-ZDUSSCGKSA-N 247.342 2.587 0 40 BFAB CC[C@@H](N)c1ccc(N(CC)CC)nc1C 72224311 ZERBQBOSJNWKDD-GFCCVEGCSA-N 221.348 2.646 0 40 BFAB Cc1cccnc1NCc1cnn(CC(C)C)c1 72226469 PPWWSVHBPVNUPC-UHFFFAOYSA-N 244.342 2.855 0 40 BFAB CCOC(=O)CCCCSc1ccccn1 78868959 JKBLOWODDIGDBN-UHFFFAOYSA-N 239.340 2.907 0 40 BFAB COC(=O)CC(=O)c1cc(Cl)ccc1Cl 84193707 MALONIFXTCFWPR-UHFFFAOYSA-N 247.077 2.739 0 40 BFAB Oc1c[nH]c2cc(Br)ccc12 85210578 QWWXZNUEYOUPMC-UHFFFAOYSA-N 212.046 2.636 0 40 BFAB CC(C)c1ccc(C(=O)CC2OCCO2)cc1 85652202 AZQQHXQUCKJQSF-UHFFFAOYSA-N 234.295 2.756 0 40 BFAB CCCCOc1c(F)cc(F)cc1CCO 95732031 NNPAMPKJRIFVSE-UHFFFAOYSA-N 230.254 2.679 0 40 BFAB OCCN[C@@H](c1cccc(F)c1)C1CCCC1 95985774 NRTCAFTUJSKWKW-CQSZACIVSA-N 237.318 2.639 0 40 BFAB CN(C)c1cccc(C(=O)C2CCC2)c1 162226630 HOXBGAAGYWBAIW-UHFFFAOYSA-N 203.285 2.735 0 40 BFAB COC(=O)CCCCCc1ccc(OC)cc1 171227855 FGNVMKWMHFFVBG-UHFFFAOYSA-N 236.311 2.971 0 40 BFAB C[C@@H](OCc1ccc(Cl)cc1)[C@@H]1CO1 256051752 KKNGNXVQLIIYOV-KCJUWKMLSA-N 212.676 2.644 0 40 BFAB C=C(C)C(=O)c1ccc(Cl)cc1C(=O)OC 390465960 ALJWSCKEOPISEQ-UHFFFAOYSA-N 238.670 2.885 0 40 BFAB CC(C)[C@@H](C)C(=O)Nc1nccc2cc[nH]c12 628644331 JCGDGHPSAPSLEL-SECBINFHSA-N 231.299 2.794 0 40 BFAB CCOc1nc2ccc(Cl)cc2cc1N 685936928 FTWGUQGFUZBKMJ-UHFFFAOYSA-N 222.675 2.869 0 40 BFAB c1cc(OC[C@@H]2CCCN(CC3CC3)C2)ccn1 1776000523 NGBYIENBDOUHEJ-CQSZACIVSA-N 246.354 2.582 0 40 BFAB COc1ccc([C@@](C)(O)c2ccccc2)cc1 159167 RYESRDXJZHXPKV-HNNXBMFYSA-N 228.291 2.951 0 40 BFAB CC1=NN(C(=O)c2ccccc2)C(C)(C)C1 328143 VNANOPQDFPYYLB-UHFFFAOYSA-N 216.284 2.687 0 40 BFAB CCCC(=O)Nc1cc(Cl)ccc1O 365170 UQWPGIRHURPOBO-UHFFFAOYSA-N 213.664 2.784 0 40 BFAB Cc1ccnc(NC(=O)NC2CCCCC2)c1 401700 AGBUVXLVSIRNSW-UHFFFAOYSA-N 233.315 2.844 0 40 BFAB CNC(=O)OC(C)(C)[C@H]1CC=C(C)CC1 1665081 SVCWPSWTLKIBPU-JTQLQIEISA-N 211.305 2.867 0 40 BFAB CC(=O)Nc1cccc(-c2ccco2)c1 2525629 GPJULCMHHCSDDM-UHFFFAOYSA-N 201.225 2.905 0 40 BFAB COc1ccc(CNc2ccncc2)cc1 8699361 VSFHPHBWZGFZAS-UHFFFAOYSA-N 214.268 2.702 0 40 BFAB in-vitro Cc1cc(C)cc(OCc2nnc(S)o2)c1 9286952 CBKNEZFXVCTZCM-UHFFFAOYSA-N 236.296 2.554 0 40 BFAB Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1 14629349 DWXJHRYYUSBBHE-JTQLQIEISA-N 241.718 2.870 0 40 BFAB CCC(CC)C(=O)N1C[C@@H](C)C[C@@H](C)C1 18210194 UYYYTCYXIRSCDM-PHIMTYICSA-N 211.349 2.927 0 40 BFAB Cc1cc(F)ccc1NC(=O)c1ccoc1 18229290 XCCDMKKJKGTVTE-UHFFFAOYSA-N 219.215 2.979 0 40 BFAB CC(C)(C)OC(=O)N1CCCC[C@H]1CCCN 26896349 DEVQNGIGYDAQMD-NSHDSACASA-N 242.363 2.515 0 40 BFAB in-vitro CN(Cc1cccc(Cl)c1)C(=O)c1ccc[nH]1 32744528 LHHFMQWWJFWLHI-UHFFFAOYSA-N 248.713 2.940 0 40 BFAB COc1ccccc1NC(=O)c1ccc(C)nc1 32895344 QTHPBTRSVKEGBP-UHFFFAOYSA-N 242.278 2.651 0 40 BFAB CCOC(=O)Cc1c[nH]c2ccc(Cl)cc12 35086854 PIMXDLLTGLPARU-UHFFFAOYSA-N 237.686 2.927 0 40 BFAB COc1cc2ccc(C=O)cc2c(OC)c1OC 39238079 MUEBXOUWLXPUQN-UHFFFAOYSA-N 246.262 2.678 0 40 BFAB CCC[C@@H](C)Nc1ccc(N)cc1C(=O)OC 41080148 CGVPKGHYWSNTKI-SECBINFHSA-N 236.315 2.656 0 40 BFAB CCCCN(CCC(=O)O)Cc1ccccc1 58840303 QIBRHKAEVRMYJY-UHFFFAOYSA-N 235.327 2.763 0 40 BFAB Cc1ccc(-c2ccc(C(=O)O)cc2)cn1 62948291 RRNRNPJEPGZACT-UHFFFAOYSA-N 213.236 2.755 0 40 BFAB N=C(N)NCC1(Sc2ccccc2)CCCC1 69656105 NTEZTDDRQJNLKJ-UHFFFAOYSA-N 249.383 2.575 0 40 BFAB COc1ccc(-c2cccc(F)n2)cc1 71250516 PXCMVPSKPQPVMN-UHFFFAOYSA-N 203.216 2.896 0 40 BFAB COc1ccc2c(c1)C(=O)Cc1sc(C)nc1-2 72210226 ZENRCVMUABMPTP-UHFFFAOYSA-N 245.303 2.866 0 40 BFAB CNc1cc([C@H]2CCN2C2CCCC2)nc(C)n1 72387444 VKENRTIGPVBAEE-CYBMUJFWSA-N 246.358 2.516 0 40 BFAB CS/C=C/C(=O)N(C)[C@@H](C)c1ccco1 75107579 WZYQEFOBYBZVEP-ORZBULNSSA-N 225.313 2.676 0 40 BFAB Nc1noc(-c2ccc(Cl)cc2Cl)n1 82539091 XRQNIGDVIYNOIR-UHFFFAOYSA-N 230.054 2.626 0 40 BFAB Cc1[nH]ccc1C(=O)N1CC[C@H]2CCCC[C@@H]21 89536748 BZXOJSJAJABOGG-YPMHNXCESA-N 232.327 2.728 0 40 BFAB CC(C)(C)OC(=O)n1ncc2c(F)cccc21 90413134 GOJFERPCGZDBQJ-UHFFFAOYSA-N 236.246 2.959 0 40 BFAB in-vitro Clc1ncc2cnn(C3CCCCC3)c2n1 95097368 FJVMBXSJJQTXBC-UHFFFAOYSA-N 236.706 2.985 0 40 BFAB FC(F)(F)CCCCNc1ncccn1 95973084 QHWGNTZCJTYKQK-UHFFFAOYSA-N 219.210 2.621 0 40 BFAB Cc1cc(-c2ccccc2-c2nnn[nH]2)cs1 96190380 WCMZHXBQWBZVMK-UHFFFAOYSA-N 242.307 2.904 0 40 BFAB CC(=O)N[C@@]1(C)[C@H]2C[C@H]([C@@H]1C)C(C)(C)[C@@H]2C 100669538 NUMKLBYYJZQOGT-HOVHJQPKSA-N 223.360 2.829 0 40 BFAB O=C([C@H]1CC=CCC1)N1Cc2ccccc2C1 105979999 BNSDUOSMWFGGDR-LBPRGKRZSA-N 227.307 2.885 0 40 BFAB Cc1ccnc(O[C@@H](C)c2ccncc2)c1 585655230 XNTNBQWGVWDIIF-NSHDSACASA-N 214.268 2.925 0 40 BFAB c1ccc([C]2NCCc3ccccc32)cc1 1560406261 UEKPVZGFMJVYCT-UHFFFAOYSA-N 208.284 2.761 0 40 BFAB Cn1nc2c(c1CSc1ccncc1)CCC2 1565520184 HWRHQRXHQZUHGX-UHFFFAOYSA-N 245.351 2.596 0 40 BFAB Cn1cnc(-c2cc(Cl)ccc2Cl)n1 2362801752 RBJGUJNSRNPHSB-UHFFFAOYSA-N 228.082 2.789 0 40 BFAB O=C(Cc1csc2ccccc12)NCC1CC1 101167 ZNCXHZCMJXTWFP-UHFFFAOYSA-N 245.347 2.970 0 40 BFAB Cc1ccc2ncnc(NC(C)C)c2c1 946492 JBPRDCRLMVDMKY-UHFFFAOYSA-N 201.273 2.759 0 40 BFAB C[C@@H](NC(=O)C(F)(F)Cl)c1ccccc1 1396221 UQWXCWQOHMGTKS-SSDOTTSWSA-N 233.645 2.695 0 40 BFAB CCOC(=O)c1ccccc1C(=O)C1CCC1 2514309 QCTFLWVWPZRPSP-UHFFFAOYSA-N 232.279 2.846 0 40 BFAB O=C(Nc1ccccc1)[C@@H]1CC=CCC1 3111394 IXBVBLXFAJUYKZ-LLVKDONJSA-N 201.269 2.981 0 40 BFAB Cc1nn2c(nc(Cl)c3ccccc32)c1C=O 3163860 ZTCPLVYSQIYSFR-UHFFFAOYSA-N 245.669 2.657 0 40 BFAB O=C(O)[C@@H]1[C@@H](c2ccccc2)[C@@H]2C=C[C@H]1C2 4769258 PWQBPEKAJJSVFH-VOAKCMCISA-N 214.264 2.677 0 40 BFAB Sc1nnc(-c2cccs2)s1 6192269 OPZYRKWLFVOZTN-UHFFFAOYSA-N 200.313 2.555 0 40 BFAB Cc1cc(NC(=O)N[C@@H]2CCCC[C@H]2C)no1 9366091 FRXVSEQDCJXPHV-PSASIEDQSA-N 237.303 2.683 0 40 BFAB NCCc1nc(-c2ccccc2)n2ccccc12 11569830 PWTYSHQJKMAVEV-UHFFFAOYSA-N 237.306 2.503 0 40 BFAB COc1cccc(NC(=O)N2CCC[C@@H](C)C2)c1 13048366 GJHWBPNYAUULQF-LLVKDONJSA-N 248.326 2.959 0 40 BFAB CCOc1ccc([C@H](C)NC(=O)OC)cc1 13329286 MWBUXXDVDRQLRY-VIFPVBQESA-N 223.272 2.502 0 40 BFAB CN(C)C(=S)Nc1cccc(C(F)(F)F)c1 13658990 MBWGGLMRWAGXPV-UHFFFAOYSA-N 248.273 2.964 0 40 BFAB Nc1ccc2c(c1)N(C(=O)C1CCCCC1)CC2 19874690 YDNKSIADJJMUHO-UHFFFAOYSA-N 244.338 2.738 0 40 BFAB CC[C@H](N[C@@H](C)COC)c1ccccc1 19904525 IIBMQZZXJOXUJV-AAEUAGOBSA-N 207.317 2.762 0 40 BFAB C[C@](N)(c1ccccc1)[C@H](O)c1ccccc1 26893703 ZGULRCHLTOMBNJ-CABCVRRESA-N 227.307 2.594 0 40 BFAB Cc1ccc(-n2nc(C)c(C(=O)O)c2C)c(C)c1 32101684 QWXBTGNGFGKEJQ-UHFFFAOYSA-N 244.294 2.804 0 40 BFAB O=Cc1ccc(N2CCCCC2=O)cc1Cl 35529351 KWXDZBQMJUJQDS-UHFFFAOYSA-N 237.686 2.669 0 40 BFAB CCOC(=O)c1ccc(C(=O)C(C)C)cc1 39117770 INDGPHVFDYOYGC-UHFFFAOYSA-N 220.268 2.702 0 40 BFAB CCc1noc(CN2CCC[C@H]3CCCC[C@@H]32)n1 40489628 XOCYQZCCOAOUEI-NEPJUHHUSA-N 249.358 2.787 0 40 BFAB FC(F)(F)c1ccc(OC[C@@H]2CCCN2)cc1 43496638 PRQPILYRTPXEJS-JTQLQIEISA-N 245.244 2.836 0 40 BFAB CC(C)[C@@H](C)NC[C@H](C)C(=O)OC(C)(C)C 47219070 ZBHRSFGZNLNGSP-WDEREUQCSA-N 229.364 2.598 0 40 BFAB CC(C)=CC(=O)N[C@@H](C)CCc1ccco1 47741225 XTYITKNPQLCKLR-NSHDSACASA-N 221.300 2.683 0 40 BFAB C[C@H]1CCCCN1C(=O)NCc1cccs1 48644216 BFUWQXNMZDFXCU-JTQLQIEISA-N 238.356 2.832 0 40 BFAB CC[C@H](C)C(=O)Nc1ccc(N2CCCC2)cn1 58264740 PKKREJRESFEXFB-NSHDSACASA-N 247.342 2.666 0 40 BFAB CCS[C@H]1CCN(c2ccccc2)C1=O 68953467 HNMUEQPVBKCXNW-NSHDSACASA-N 221.325 2.545 0 40 BFAB Cc1ccncc1NC(=O)c1cccc(F)c1F 71414139 GTDZALNHFAIESD-UHFFFAOYSA-N 248.232 2.921 0 40 BFAB CC(C)(C)C(=O)CNC(=O)OCc1ccccc1 72206832 PZKCMUDJVDQLTR-UHFFFAOYSA-N 249.310 2.528 0 40 BFAB CCCN1CCCC[C@H]1c1cccnc1O 72212325 VMBGCYSVPLZYPF-LBPRGKRZSA-N 220.316 2.724 0 40 BFAB COc1cc(C)c([C@H]2CCCN2C(C)C)cn1 72218016 SEOXTVWXHIWEIS-CYBMUJFWSA-N 234.343 2.944 0 40 BFAB CCCNC(=O)Nc1ccc2oc(C)nc2c1 74904125 SAVYKBWTUWWMRG-UHFFFAOYSA-N 233.271 2.668 0 40 BFAB CSc1ccc(O)c2nc(C)ccc12 75606407 VHLRUMKNIPTBHG-UHFFFAOYSA-N 205.282 2.971 0 40 BFAB CC1(C)Oc2ccc(C(F)(F)F)cc2NC1=O 75883238 KVGQIRCTCZFWNN-UHFFFAOYSA-N 245.200 2.815 0 40 BFAB Fc1c(Cl)cccc1CNC[C@H]1CCCO1 83372124 NHYFKQLBRBAHSQ-SNVBAGLBSA-N 243.709 2.748 0 40 BFAB CCC[C@H](CCOC)CNCC1CCC1 85396114 UVVAWLIUXMHYRI-GFCCVEGCSA-N 213.365 2.829 0 40 BFAB N[C@H]1CCCO[C@@H]1c1ccc(Cl)cc1 86250360 MBOGMXCWDYSYPI-WDEREUQCSA-N 211.692 2.519 0 40 BFAB CCCCn1ncnc1-c1n[nH]c2ccccc12 91908435 OOTVZEMGUDXJPL-UHFFFAOYSA-N 241.298 2.622 0 40 BFAB C[C@@H]1CCC[C@@H](CSc2nncn2C)C1 92199098 JVCPIIVYJIBDRV-NXEZZACHSA-N 225.361 2.734 0 40 BFAB Clc1cnc(N2C[C@H]3CCCC[C@H]3C2)nc1 95408684 SQPOLSYZJNUSOR-AOOOYVTPSA-N 237.734 2.756 0 40 BFAB Cc1ccc(-c2nc3ncc(Cl)cc3[nH]2)nc1 95442588 TYOBRQYYXXNMEC-UHFFFAOYSA-N 244.685 2.982 0 40 BFAB C[C@@H](O)c1cc(F)cc(C(F)(F)F)c1 95740128 XODJGUXJHGDPTL-RXMQYKEDSA-N 208.154 2.898 0 40 BFAB CCC(=O)[C@@H](C)Sc1nnc(SC)s1 95952990 JRGRZZYWIFMBHC-RXMQYKEDSA-N 248.398 2.720 0 40 BFAB Cc1ccsc1[C@@H](C)N[C@H]1CCC[C@@H]1CO 96478434 BKJOMYKQWQREKQ-UTUOFQBUSA-N 239.384 2.868 0 40 BFAB COC[C@@H](NC[C@@H]1CCCCO1)c1ccccc1 96491349 VVAMPJACESOZFF-LSDHHAIUSA-N 249.354 2.533 0 40 BFAB c1ccc(Cc2ncc3ccccn23)cc1 98177399 GVWJGAXMSKFSOJ-UHFFFAOYSA-N 208.264 2.925 0 40 BFAB CC(=O)OC[C@]12CC=C(C)[C@@H]([C@@H](C)OC1)[C@H]2C 100770042 KSCMOJQRHWGLDT-OXHZDVMGSA-N 238.327 2.557 0 40 BFAB O=C(Cc1ccccc1F)N[C@@H]1C[C@H]2CC[C@H]1C2 101457129 LNVLCHAPFHZPGA-VHRBIJSZSA-N 247.313 2.673 0 40 BFAB C[C@H](C[C@H]1CCCO1)NCc1ccccc1 102430398 MTVXFLVYHHKCFY-TZMCWYRMSA-N 219.328 2.734 0 40 BFAB C[C@H]1CCCN([C@H](C)C(=O)Nc2ccccc2)C1 104893321 XIYWYNJFUOXPPR-QWHCGFSZSA-N 246.354 2.746 0 40 BFAB CC1CCC(NC(=O)C2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)CC1 107362190 GUDFDFJNQHENKZ-BDFDDGLTSA-N 247.382 2.973 0 40 BFAB c1cc([C@@H]2CCCCN2Cc2nccs2)[nH]n1 205688367 MAUYNLKXVXBPSM-NSHDSACASA-N 248.355 2.593 0 40 BFAB Cc1cccc(CSCCNC(=O)C2CC2)c1 225382686 NVFPOEBNBDTQOC-UHFFFAOYSA-N 249.379 2.754 0 40 BFAB C[C@@H](c1ccccc1)N1CCN[C@@H]2CCCC[C@@H]21 225714931 IGOISJROXVLNGR-IMJJTQAJSA-N 244.382 2.964 0 40 BFAB CCN(Cc1ccccc1)C(=O)C(C)C 29789 JUBWTXYAZJPYRN-UHFFFAOYSA-N 205.301 2.691 0 40 BFAB Fc1ccc(C(=S)N2CCCCC2)cc1 51574 BDBDQJZSRYVROK-UHFFFAOYSA-N 223.316 2.987 0 40 BFAB biogenic CCN(CC)c1ccc(C(=O)NC(C)C)cc1 60754 DKLYLHWZSYVLLD-UHFFFAOYSA-N 234.343 2.671 0 40 BFAB CCCCCOc1ccc(CC2=NCCN2)cc1 1672763 QCTCAVXGGAPGLP-UHFFFAOYSA-N 246.354 2.800 0 40 BFAB O=C(O)CCCCC(=O)c1c(F)cccc1F 2378731 HZGJFBCBTSBARL-UHFFFAOYSA-N 242.221 2.793 0 40 BFAB c1ccc2oc([C@@H]3CCCCN3)nc2c1 4205334 CWSFHGFMFIJLDQ-JTQLQIEISA-N 202.257 2.642 0 40 BFAB CC(C)(N)Cc1ccc(C(F)(F)F)cc1 5357180 LTPXSOIGSHRNFH-UHFFFAOYSA-N 217.234 2.985 0 40 BFAB in-vitro O[C@H](c1ccc2c(c1)CCC2)c1ccccn1 5940761 CSMIOOMIRPGDKD-OAHLLOKOSA-N 225.291 2.652 0 40 BFAB C[C@H](CC(=O)c1ccccc1)N1CCCC1 6491586 GELYRENCUZZKHM-GFCCVEGCSA-N 217.312 2.744 0 40 BFAB CCOc1ccc(OCC(C)(C)C(=O)O)cc1 8730691 MWMHLIGTTVKVBW-UHFFFAOYSA-N 238.283 2.575 0 40 BFAB NCc1ccc(COc2ccccc2)cc1 11945494 UFXUNJSPYPLGOF-UHFFFAOYSA-N 213.280 2.724 0 40 BFAB in-vitro O=C(O)/C=C\c1ccc(Cl)cc1F 12358820 FVLPOWWRHAOKMT-RQOWECAXSA-N 200.596 2.577 0 40 BFAB Brc1ccc(-c2cccnc2)nc1 12359507 ILJRIAPZWHYPMK-UHFFFAOYSA-N 235.084 2.906 0 40 BFAB Cc1ccc(C(=O)N[C@@H](C)C2CC2)s1 12903916 REUXOIYENRMTCD-QMMMGPOBSA-N 209.314 2.585 0 40 BFAB C1CCN(CCN2C[C@@H]3CCCC[C@H]3C2)CC1 19366234 ZKWFBCHWGRBOMO-GJZGRUSLSA-N 236.403 2.594 0 40 BFAB Cc1ccc(CNC(=O)c2ccccc2F)o1 20149750 PRQJGHBHFXYBNS-UHFFFAOYSA-N 233.242 2.657 0 40 BFAB CCC(C)(C)C(=O)Nc1ccc(F)cc1N 20157336 AZJAOIOBOIRXLH-UHFFFAOYSA-N 224.279 2.783 0 40 BFAB CCOc1ccccc1OCC[C@@H]1CCCCN1 20221525 GBLPXLUSRPKNJR-ZDUSSCGKSA-N 249.354 2.996 0 40 BFAB CCCOc1ccccc1CNC[C@@H]1CCCO1 20924397 VUJURFLEWVEXGR-AWEZNQCLSA-N 249.354 2.744 0 40 BFAB Cc1ccc(C(=O)Nc2ccc(Cl)cn2)cn1 26089522 VPCTVLCIEFDBEG-UHFFFAOYSA-N 247.685 2.691 0 40 BFAB COc1ccc2ncc(Cl)nc2c1Cl 34416542 MAYRPLDCTXPBCL-UHFFFAOYSA-N 229.066 2.945 0 40 BFAB CC(C)COc1ccc(Br)cn1 42389267 PEGNKNXWZBYWOA-UHFFFAOYSA-N 230.105 2.879 0 40 BFAB Cc1ccc(COCC[C@H]2CCCNC2)cc1 42772034 VYZCTXGKIQAAHQ-CQSZACIVSA-N 233.355 2.901 0 40 BFAB O=C(NCCCC1CCCC1)C1CCC1 44632990 XJXIROJNHSKYKO-UHFFFAOYSA-N 209.333 2.873 0 40 BFAB CCC[C@H](O)Cc1ccc(F)cc1F 50885791 LHGPYKNRECKARO-JTQLQIEISA-N 200.228 2.668 0 40 BFAB C[C@H](NC(=O)CC(C)(C)C)c1cccnc1 54458909 CKGQJAWBNHSLOR-JTQLQIEISA-N 220.316 2.695 0 40 BFAB CC(C)C[C@@]1(C)NC(=O)c2ccccc2O1 59488078 YYQRSQDXUKFGNS-ZDUSSCGKSA-N 219.284 2.571 0 40 BFAB O=C(NC1CCCCC1)N[C@@H]1C[C@H]2CC[C@@H]1C2 59895104 PABXXVLWHCCHBX-DMDPSCGWSA-N 236.359 2.807 0 40 BFAB CNC[C@H](OC)c1ccc(Cl)cc1Cl 62711509 TVENVRBOTAPVHA-JTQLQIEISA-N 234.126 2.900 0 40 BFAB Cc1noc([C@@H](C)N(C)Cc2ccccc2F)n1 65575540 SHPLCCVWEODASN-SECBINFHSA-N 249.289 2.710 0 40 BFAB COC(=O)c1cc2c(F)c(Cl)ccc2[nH]1 66054669 ZDXBWSKTLNCEQM-UHFFFAOYSA-N 227.622 2.747 0 40 BFAB COC[C@](O)(c1ccccc1)c1ccc(C)cc1 68728498 FMJQSHVBMYEJNP-INIZCTEOSA-N 242.318 2.877 0 40 BFAB Cc1cnn([C@H](C)[C@H](C)NCc2ccsc2)c1 69491603 AZPUCFRNCFLPBT-NWDGAFQWSA-N 249.383 2.992 0 40 BFAB CC(C)N1CCC[C@@H]1c1cccnc1N(C)C 72212655 FPVHFPRYXJCOLR-CYBMUJFWSA-N 233.359 2.693 0 40 BFAB CC(=O)N1CCCC[C@H]1c1ccc(F)cc1 72221863 HGEFIHGYXSPZKW-ZDUSSCGKSA-N 221.275 2.899 0 40 BFAB Fc1ccc(-n2nnc3ccccc32)cc1 73740187 PUJHKSMDUBQYQM-UHFFFAOYSA-N 213.215 2.560 0 40 BFAB CCC(=O)N[C@H](Cc1ccccc1)C1CC1 78826202 GJABGNOSZRTKOM-CYBMUJFWSA-N 217.312 2.534 0 40 BFAB CC[C@@H](c1ccccc1)N(CCN)C(C)C 79421238 OGQBHXGLPYWSKR-AWEZNQCLSA-N 220.360 2.807 0 40 BFAB Cc1nccn1-c1ccc(Br)cc1 82548664 IZBSZUFXXFORGG-UHFFFAOYSA-N 237.100 2.943 0 40 BFAB Cc1cc(Br)c(CO)cc1C 83223875 BBOZOFOSGSSLQJ-UHFFFAOYSA-N 215.090 2.558 0 40 BFAB COc1ccc(CNc2cc(C)on2)cc1F 83363063 XAYZHVBFJXIINS-UHFFFAOYSA-N 236.246 2.743 0 40 BFAB Cc1nc(CN(C)[C@H](C)c2ccccn2)oc1C 89558247 HLFKDPAJHWACDL-LLVKDONJSA-N 245.326 2.879 0 40 BFAB Cc1cccc(C(=O)N2C[C@@H]3CCCC[C@H]3C2)n1 89688906 BSURRNXSKZQMQS-STQMWFEESA-N 244.338 2.652 0 40 BFAB CC1(C)CCC[C@@H]1N[C@@H]1CCN2CCC[C@@H]2C1 89919260 QTMLNUMBLBWNSJ-MCIONIFRSA-N 236.403 2.782 0 40 BFAB CC(C)CN(CC1CCNCC1)C1CCCC1 94848918 UUBDTURVHGEWPD-UHFFFAOYSA-N 238.419 2.887 0 40 BFAB COc1c(C)cc([C@H](O)c2ccccn2)cc1C 95727385 NWYDWIWZENCCIV-AWEZNQCLSA-N 243.306 2.789 0 40 BFAB Fc1cc(Cl)ccc1OCCC1OCCO1 95734171 YMGWYEPFAWZNQW-UHFFFAOYSA-N 246.665 2.621 0 40 BFAB N=C1N=C/C(=N/Nc2cccc(Cl)c2)S1 107821028 MUFBBFCPKFLOBP-QTWGFOEFSA-N 238.703 2.818 0 40 BFAB C[C@H](Cc1ccc(F)cc1)Nc1cnn(C)c1 132485706 GNEWFXZUJMDKTP-SNVBAGLBSA-N 233.290 2.602 0 40 BFAB CCN1C(=O)/C(=C/c2ccc[nH]2)c2ccccc21 199288143 RRGSXQAVZTZJJE-JLHYYAGUSA-N 238.290 2.922 0 40 BFAB Cc1cc(C)cc(-n2cccc2CN)c1 223682490 FSRZCPYVFJROQL-UHFFFAOYSA-N 200.285 2.553 0 40 BFAB Cc1conc1CN(C)C1(C)CCCC1 878526690 NKXQLUPXWMZFAX-UHFFFAOYSA-N 208.305 2.748 0 40 BFAB CN1c2ccccc2S(=O)c2ccccc21 1555303 LUXDKIVXVUWRQB-UHFFFAOYSA-N 229.304 2.935 0 40 BFAB O=C(CO)c1ccc(-c2ccccc2)cc1 1594295 DZBOGXUSEQLVPU-UHFFFAOYSA-N 212.248 2.529 0 40 BFAB in-vitro C[C@]12CCCC[C@@H]1C(=O)C2(Cl)Cl 1618149 STZDLDHQOXCLNP-SVRRBLITSA-N 207.100 2.940 0 40 BFAB CC(C)Cn1c(=O)oc2ccc(Cl)cc21 5031908 QOXCKEIADDDMBO-UHFFFAOYSA-N 225.675 2.904 0 40 BFAB Cc1cccnc1NC(=O)C1CCCC1 5394639 JAJBIMAMMZANDV-UHFFFAOYSA-N 204.273 2.519 0 40 BFAB C[C@H]1CCCC[C@H]1Nc1nnc(S)s1 6383295 VPEXGPZGXPUORY-NKWVEPMBSA-N 229.374 2.817 0 40 BFAB in-vitro O=Cc1ccc(OCCN2CCCCCC2)cc1 6413975 COFCTUNXRHGCRK-UHFFFAOYSA-N 247.338 2.754 0 40 BFAB Cc1nnc(COc2ccc(F)c(Cl)c2)o1 8314472 FDJMRQFRRZOONE-UHFFFAOYSA-N 242.637 2.750 0 40 BFAB CC(C)c1cccc(NC(=O)c2cnccn2)c1 11868781 VGVBHAQXAOBGFC-UHFFFAOYSA-N 241.294 2.852 0 40 BFAB NCc1ccc(COc2ccc(F)cc2)cc1 11945467 DNLWPKROJFQYGZ-UHFFFAOYSA-N 231.270 2.863 0 40 BFAB CC[C@]1(C)C[C@]2(C=C[C@H](O)CC2)CCO1 12656528 MEELPUOSODYWIN-XQQFMLRXSA-N 210.317 2.663 0 40 BFAB biogenic CN(CCC(=O)O)c1cccc(C(F)(F)F)c1 14001736 DOAHZPMETIUDRF-UHFFFAOYSA-N 247.216 2.616 0 40 BFAB in-vitro c1ccc(-c2cc(-c3cc[nH]n3)on2)cc1 16052596 SRSSTOPJERVMRZ-UHFFFAOYSA-N 211.224 2.732 0 40 BFAB in-vivo C[C@H]1CCCCN1CCCNC1CCCC1 19912907 RIISKPJSWRWGHM-ZDUSSCGKSA-N 224.392 2.783 0 40 BFAB Cc1cccc(NC(=O)NCC[C@H]2CCCO2)c1 25236535 ATGGTQPGWQQKEM-CYBMUJFWSA-N 248.326 2.686 0 40 BFAB Nc1c(-c2cccs2)nc2ccccn12 26420589 LUZIWUCNVIOBGG-UHFFFAOYSA-N 215.281 2.645 0 40 BFAB CC(C)(C)CCNC(=O)c1n[nH]c2ccccc12 31759224 KRWICUPXIHGFFT-UHFFFAOYSA-N 245.326 2.729 0 40 BFAB CCC[C@@H](NC(=O)c1cc[nH]n1)c1ccccc1 36393866 XSPZOTRUNZFIQK-GFCCVEGCSA-N 243.310 2.681 0 40 BFAB Cc1ccccc1CSCC(=O)N1CCCC1 41365021 GDTJPMKBHKCAKP-UHFFFAOYSA-N 249.379 2.851 0 40 BFAB CC(C)Oc1c(O)cccc1Br 42750080 OSULYEKTMXRPSA-UHFFFAOYSA-N 231.089 2.942 0 40 BFAB C[C@H](Nc1ccc(Cl)cc1Cl)C(=O)O 43626095 JNLZQDCKJDMRPL-YFKPBYRVSA-N 234.082 2.878 0 40 BFAB O=C(N[C@H]1CCc2ccccc21)c1ccco1 44891852 WQEPWIROHARGRB-LBPRGKRZSA-N 227.263 2.697 0 40 BFAB c1ccc(CN2CCC[C@H](CNC3CC3)C2)cc1 53656314 OONHGXTVFVGLND-OAHLLOKOSA-N 244.382 2.651 0 40 BFAB CC(C)C(=O)CC(=O)c1cccc(F)c1 70953003 NFUGBGMMRBXNGR-UHFFFAOYSA-N 208.232 2.624 0 40 BFAB CN1CCC[C@H]1c1ccnc(-c2ccccc2)n1 72376465 UGRBIULZBMCBGW-AWEZNQCLSA-N 239.322 2.910 0 40 BFAB CC(=O)c1nc2cc(Br)ccc2o1 82328052 HNAFFGDPZXFVCL-UHFFFAOYSA-N 240.056 2.793 0 40 BFAB Cc1c(C(=O)O)[nH]c2ccc(OC(C)C)cc12 82604827 VOEMWUBWBAHLSU-UHFFFAOYSA-N 233.267 2.962 0 40 BFAB CCO[C@H]1C[C@H](N(C)Cc2ccccn2)C1(C)C 84800737 RLNORTZEIPICSK-KBPBESRZSA-N 248.370 2.717 0 40 BFAB CC(C)Oc1ccc(C(=O)c2ncco2)cc1 85651143 MUHDJKULAXYJHS-UHFFFAOYSA-N 231.251 2.693 0 40 BFAB CCOC(=O)CCOc1cc(F)ccc1Cl 95734001 NDDKWCFMAIBKJS-UHFFFAOYSA-N 246.665 2.811 0 40 BFAB CCc1ccc(CN2CC[C@@H]3O[C@@H](C)C[C@H]3C2)o1 96070509 XYAYDGUGLRBZAW-HUBLWGQQSA-N 249.354 2.841 0 40 BFAB CCc1[nH]nc(N[C@@H](C)C2CCOCC2)c1C 97037940 TXFOLKQIBFTATH-JTQLQIEISA-N 237.347 2.508 0 40 BFAB C[C@@H](SCC1CCCCCC1)C(N)=O 97115490 ZRWCSNJRWGGCKB-SECBINFHSA-N 215.362 2.564 0 40 BFAB CNC(=O)C12CC3C[C@](C)(C1)C[C@](C)(C3)C2 101453135 JUFKSRDPLLSVQS-IFFXXYNGSA-N 221.344 2.729 0 40 BFAB C[C@@H](NN)c1cccc(Cl)c1Cl 161775958 QZMMZXHYRGUEHK-RXMQYKEDSA-N 205.088 2.518 0 40 BFAB O=C1C[C@@H](c2ccncc2)Nc2ccccc21 169974674 MFUZEVGFXWXTGL-ZDUSSCGKSA-N 224.263 2.821 0 40 BFAB CCCC(=O)c1cc(F)cc(F)c1OC 308838745 XQLWNVPLHSBJGU-UHFFFAOYSA-N 214.211 2.956 0 40 BFAB C[C@H](CCC(C)(C)C)NC1CSC1 379409493 DCJCNIGLNCJPKM-SECBINFHSA-N 201.379 2.906 0 40 BFAB CC(C)(C)NC(=O)NCc1cncc(C2CC2)c1 575606953 WLORQDKVEYWELL-UHFFFAOYSA-N 247.342 2.557 0 40 BFAB c1nc(CN2[C@H]3CC[C@H]2CC(=C2CC2)C3)co1 1776009531 SAGNGTFGOBMKJJ-KBPBESRZSA-N 230.311 2.892 0 40 BFAB Cc1ncn(-c2cccc(Cl)c2C)n1 2362803549 JXSCJKBWIPANFK-UHFFFAOYSA-N 207.664 2.538 0 40 BFAB CCSc1nnc2c3ccccc3n(C)c2n1 105404 KUWMNBMXUZKIDV-UHFFFAOYSA-N 244.323 2.629 0 40 BFAB COc1cc(-c2nc3ccccc3[nH]2)ccc1O 307302 PBMXKABUKBNTBB-UHFFFAOYSA-N 240.262 2.944 0 40 BFAB CC[C@H](C)N(C)c1ccc(NC(C)=O)cc1 345664 YJQYPYSZLNCGIC-JTQLQIEISA-N 220.316 2.880 0 40 BFAB COc1ccc(C2O[C@@H](C)[C@H](C)O2)cc1OC 1677005 XIQKORYUHHGFBK-IUCAKERBSA-N 238.283 2.526 0 40 BFAB Nc1ccc(Cl)cc1C(=O)c1ccccn1 1683116 LMDJMTDZULLTGY-UHFFFAOYSA-N 232.670 2.548 0 40 BFAB Cc1ccc(CNC(=O)NC(C)(C)C)cc1 1739060 LBNGHMUDUDHQJC-UHFFFAOYSA-N 220.316 2.593 0 40 BFAB CN1[C@H]2CC[C@@H]1C=C(c1cccc(Cl)n1)C2 2529340 ZTPVMGZWOVVRRQ-MNOVXSKESA-N 234.730 2.985 0 40 BFAB Cc1cc2ccccn2c1C(=O)c1ccncc1 3193702 HMXWEKRGUTUENY-UHFFFAOYSA-N 236.274 2.874 0 40 BFAB c1ccc([C@@H]2NCCc3sccc32)cc1 4218667 BKXOJOFWZSFANH-ZDUSSCGKSA-N 215.321 2.983 0 40 BFAB Cc1ccc(NC(=O)Cc2ccccc2)c(O)c1 4666454 QNYXUFBZVOHAPM-UHFFFAOYSA-N 241.290 2.882 0 40 BFAB CC(=O)N1N=CC[C@H]1[C@@H]1[C@@H](C)CC(C)=C[C@H]1C 4844073 HUMGQYPYCXKRLK-XWUBHJNHSA-N 234.343 2.831 0 40 BFAB CCOC(=O)c1snc(-c2ccccc2)c1N 5333368 MLEQHRMXDILIKJ-UHFFFAOYSA-N 248.307 2.569 0 40 BFAB CCOc1ccccc1C(=O)N1CCC[C@@H](C)C1 5475990 OWWPOXILFVPGBZ-GFCCVEGCSA-N 247.338 2.957 0 40 BFAB CC(=O)c1ccccc1NC(=O)c1ccco1 6159133 KIUCLFGBUSUTAG-UHFFFAOYSA-N 229.235 2.735 0 40 BFAB O=C(NC1CC1)c1ccc(Cl)c(Cl)c1 6329217 QXFRUJRRWOBNPQ-UHFFFAOYSA-N 230.094 2.886 0 40 BFAB Cc1ccc2c(c1)NC(=O)c1cccnc1O2 6751330 GFQMJGYCFJXMDO-UHFFFAOYSA-N 226.235 2.748 0 40 BFAB Cc1ccc(N)c(Oc2cccnc2)c1 14629809 UNEQWNGQBQNGHZ-UHFFFAOYSA-N 200.241 2.765 0 40 BFAB Cc1ccc([C@H](N)CC(F)(F)F)cc1 19414375 DROWMZLEMBXNJP-SECBINFHSA-N 203.207 2.947 0 40 BFAB O=c1[nH]cnc2c(-c3cccc(F)c3)csc12 21730793 RRVJCKUNXBWFJI-UHFFFAOYSA-N 246.266 2.791 0 40 BFAB CC(C)(C)c1ccc(CNCCC(=O)O)cc1 21953140 WCTULNFYSPXGTF-UHFFFAOYSA-N 235.327 2.548 0 40 BFAB in-vitro C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(N)cc1 22172765 ZMYAMKAVLJRVIV-ZWNOBZJWSA-N 232.327 2.577 0 40 BFAB C/C=C/C=C/C(=O)Nc1cccnc1OCC 27587079 ZTRDWRRJKPFPAU-USXIXMCRSA-N 232.283 2.551 0 40 BFAB O=C(c1cccnc1)N1CCC[C@@H]2CCCC[C@@H]21 32819485 CGAJISHBFSDDEQ-JSGCOSHPSA-N 244.338 2.876 0 40 BFAB Cc1cc(-c2csc(CCN)n2)ccc1F 33465725 CXGUIWYDCJUMEL-UHFFFAOYSA-N 236.315 2.759 0 40 BFAB CCOCCN[C@@H](C)c1ccc(C)s1 36228932 XHLWNBJUVXSQKW-JTQLQIEISA-N 213.346 2.744 0 40 BFAB FC(F)(F)c1cc(C2CC2)nc2ccnn12 36610899 DNSBGIPEEOQJCJ-UHFFFAOYSA-N 227.189 2.626 0 40 BFAB O=C(O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 37380876 IBXCFDILOTYDLI-BDAKNGLRSA-N 230.185 2.894 0 40 BFAB CCc1ccc(C(=O)NCC(F)(F)F)cc1 42236872 MISDJYUMDGHSLC-UHFFFAOYSA-N 231.217 2.541 0 40 BFAB COc1ccc(OC)c2c1[C@H]1C[C@H]3[C@@H]2[C@@H]13 44143916 VTSCFAUQUCVNCR-GTTQHAOASA-N 202.253 2.534 0 40 BFAB Cc1nc(C)c(C(=O)Nc2ncccc2C)s1 48782443 LUWNBHJOXZVUEO-UHFFFAOYSA-N 247.323 2.716 0 40 BFAB CC(C)N1CCN(CC2CCCCC2)CC1 65588303 QABCZKSVWXCKIK-UHFFFAOYSA-N 224.392 2.593 0 40 BFAB Cc1cc([C@H]2CCCCN2CC(C)C)c[nH]c1=O 72217980 LKOXHIUQZSRIIT-CQSZACIVSA-N 248.370 2.866 0 40 BFAB CNC(=O)Nc1ccc(SC)c(Cl)c1 83881873 VXRCKEVVBYGGKZ-UHFFFAOYSA-N 230.720 2.813 0 40 BFAB Cc1c(Br)cccc1C[C@@H](C)N 84500995 SPGBNUJYVGYKCB-SSDOTTSWSA-N 228.133 2.647 0 40 BFAB O=C(O)c1ccc2c(c1)C1(CCCC1)CN2 91304998 WZHMXASENBULNW-UHFFFAOYSA-N 217.268 2.622 0 40 BFAB Cc1nc(N)sc1-c1ccnc([C@@H]2C[C@@H]2C)n1 95629763 ZHTPRFXALUPNCR-POYBYMJQSA-N 246.339 2.614 0 40 BFAB CCCCN(C)Cc1cccc(C=O)c1 95739696 SFLGOSQBRKYHNZ-UHFFFAOYSA-N 205.301 2.731 0 40 BFAB Cc1nc(CN[C@H](C)c2ccc(C)c(F)c2)no1 96492256 OAMLDNGBROMOBY-SECBINFHSA-N 249.289 2.676 0 40 BFAB Cc1ncc(Br)c(C(F)(F)F)n1 96918180 QBQQCGIZPGZWPB-UHFFFAOYSA-N 241.010 2.566 0 40 BFAB O=C(NCc1ccccc1)[C@H]1C[C@H]2C=C[C@H]1C2 102265829 BITZGJODSWYPIT-IHRRRGAJSA-N 227.307 2.515 0 40 BFAB C/C=C/C=C/C(=O)N[C@@H]1CCC[C@H]1SCC 104206840 ZOZDWJYAVDBLRD-ZAKFJMKLSA-N 239.384 2.909 0 40 BFAB C[C@H](CCn1cccn1)NC[C@H]1CC=CCC1 158716748 XDPMWDROVGNJFV-KGLIPLIRSA-N 233.359 2.608 0 40 BFAB Fc1ccc(CN2CCN[C@H]3CCCC[C@H]32)cc1 218831029 YOEMQQJWCGJVPD-LSDHHAIUSA-N 248.345 2.542 0 40 BFAB CC(C)CNCc1ccc(CC(C)C)n1C 226020103 RUSMHOZYFOWLLL-UHFFFAOYSA-N 222.376 2.969 0 40 BFAB CCn1cc(-c2nc(-c3ccc(C)o3)no2)cn1 350793818 IQHNZIWIMQCXAZ-UHFFFAOYSA-N 244.254 2.521 0 40 BFAB CCN(CC)C(=S)Nc1ccc2conc2c1 409198678 JONJCIUONIYFIW-UHFFFAOYSA-N 249.339 2.866 0 40 BFAB CC(C)CS(=O)(=O)Nc1cccc(Cl)c1 994037 QCSAMMUYUPSCKJ-UHFFFAOYSA-N 247.747 2.738 0 40 BFAB CCN(CC)C(=O)/C=C(\C)c1ccccc1 1586614 MVNJWFZUVMLUEN-VAWYXSNFSA-N 217.312 2.958 0 40 BFAB CC(=O)Oc1ccc2ccccc2c1OC(C)=O 1671626 YLAVAANBVJPQIB-UHFFFAOYSA-N 244.246 2.690 0 40 BFAB CC(C)Oc1ccc(CSCCN)cc1 3093115 MNKXHZFRZVVSQL-UHFFFAOYSA-N 225.357 2.666 0 40 BFAB c1ccc(OCc2nnc3n2CCCCC3)cc1 4518196 XECMHUREYFJTSC-UHFFFAOYSA-N 243.310 2.584 0 40 BFAB CC[C@@H](C)C(=O)Nc1nnc(C(C)C)s1 4558863 KHMSEFDOKHSBAO-SSDOTTSWSA-N 227.333 2.646 0 40 BFAB C/C=C/c1nnc2ccc3ccccc3n12 5260676 WSDULWVQFQINFD-GORDUTHDSA-N 209.252 2.916 0 40 BFAB O=C1CCCC[C@H]1Sc1ccccn1 8619440 VECQZXLTQCPVLJ-SNVBAGLBSA-N 207.298 2.685 0 40 BFAB CC(=O)c1nnn(-c2ccc(C(C)C)cc2)c1C 11888189 BSXYWZHKZJAAQN-UHFFFAOYSA-N 243.310 2.902 0 40 BFAB Cc1ccc(NC2=NC(=O)SC2)cc1 16754430 ZIQDYXWSHIAQEP-UHFFFAOYSA-N 206.270 2.672 0 40 BFAB CCCOc1ccc(CO)cc1Br 19094019 VZQSVBPBYWZHCP-UHFFFAOYSA-N 245.116 2.730 0 40 BFAB Cc1ccc(COc2cccc(C(=N)N)c2)cc1 19488641 UDBCDEPBCHXQMB-UHFFFAOYSA-N 240.306 2.858 0 40 BFAB CCCCCC1=C(N2CCOCC2)CC=C1O 19881174 UIABOVWMFFTBJB-UHFFFAOYSA-N 237.343 2.999 0 40 BFAB CC(=O)c1c(F)cccc1N1CCSCC1 20257390 FFIHCOINANIKFA-UHFFFAOYSA-N 239.315 2.582 0 40 BFAB Cc1nc2cc(NC(=O)c3ccco3)ccc2o1 24045317 VJJKBUWIMWFZSX-UHFFFAOYSA-N 242.234 2.982 0 40 BFAB Cc1cc(C(=O)N[C@@H](C)C2CC2)c(C)s1 32748168 MDGJKILQSKUKMZ-QMMMGPOBSA-N 223.341 2.893 0 40 BFAB Cc1cccc(NC(=O)C(C)(C)C)c1C(=O)O 34751559 JZRLLLULSVYCSF-UHFFFAOYSA-N 235.283 2.678 0 40 BFAB Nc1ccc(-c2noc(C3CCC3)n2)cc1 35696805 MHHGDRZZYSTOOV-UHFFFAOYSA-N 215.256 2.586 0 40 BFAB O[C@@H](COc1ccc(F)cc1)c1ccccc1 37492214 LFOQQKXJGOTEGC-AWEZNQCLSA-N 232.254 2.938 0 40 BFAB CCOC(=O)CCCCCCCC(C)=O 39240197 REBDPBAKWSPEIL-UHFFFAOYSA-N 214.305 2.869 0 40 BFAB CC[C@H](C)[C@H](N)CN(CC(C)C)CC(C)C 42034580 VNSBHYAEYKTNTB-UONOGXRCSA-N 228.424 2.974 0 40 BFAB CC(=O)CSc1cnnc2ccc(C)cc12 46087731 NEGLVBSTSYHKDK-UHFFFAOYSA-N 232.308 2.619 0 40 BFAB COc1ccc(C(=O)C(C)(C)C)c(OC)c1 55232692 OGXRBPJCWQCNQX-UHFFFAOYSA-N 222.284 2.933 0 40 BFAB CCn1cc(NC(=O)c2ccc(C)c(F)c2)cn1 58327644 MDFPYSFSVMVJDH-UHFFFAOYSA-N 247.273 2.603 0 40 BFAB CCN(Cc1ccc(C(=O)N(C)C)cc1)C(C)C 58407307 LSOHVJMAMPOBNT-UHFFFAOYSA-N 248.370 2.619 0 40 BFAB c1ccc2oc(C[C@@H]3CCCN3)cc2c1 59777515 PTLKBOHWKLVUMP-NSHDSACASA-N 201.269 2.727 0 40 BFAB CC(C)CC[C@H](C)NC(=O)Cc1ccccc1O 69598637 AZNNOOBDLOANFC-LBPRGKRZSA-N 249.354 2.876 0 40 BFAB Cc1cc(N2CCCC2)ncc1[C@@H]1CCCCN1 72218872 NWAGEHPWJPVOLB-AWEZNQCLSA-N 245.370 2.805 0 40 BFAB CCOc1ccc(CNc2cc(C)nn2C)cc1 78737275 FMHNXQUAXQQNCG-UHFFFAOYSA-N 245.326 2.739 0 40 BFAB C[C@H](N)COCc1cc(Cl)ccc1Cl 89262653 LSWAEMDDMJCQSH-ZETCQYMHSA-N 234.126 2.857 0 40 BFAB CCc1ccc([C@@H](CN)N2CCCCC2)cc1 95098738 XIQKJYFHHNPIPQ-OAHLLOKOSA-N 232.371 2.735 0 40 BFAB Cc1ccc(F)cc1C(=O)Nc1ccncc1F 95975725 LVPYAUPVNHCHBF-UHFFFAOYSA-N 248.232 2.921 0 40 BFAB C[C@@H]1CNCc2ccc(Br)cc21 96526132 NGKXMSWDWPWIML-SSDOTTSWSA-N 226.117 2.656 0 40 BFAB O=Cc1ncc(Br)c2ccccc12 146721788 AQIXTJORXNGTSR-UHFFFAOYSA-N 236.068 2.810 0 40 BFAB CCCc1nc(Cl)ccc1C(=O)OCC 225738480 ASJLLXGXXVPXLL-UHFFFAOYSA-N 227.691 2.864 0 40 BFAB CS[C@@H]1CC[C@@H](N(C)C[C@H]2CCCCO2)C1 245289812 FGZKQWBWHRJSSX-JHJVBQTASA-N 243.416 2.771 0 40 BFAB CC(C)Oc1nc2cc(F)ccc2cc1C(=O)O 685937608 TZWBAYULMYNODK-UHFFFAOYSA-N 249.241 2.859 0 40 BFAB COc1ccc(C2(C(F)(F)F)N=N2)cc1C=O 1504244695 BKJNGFVKBNJCOO-UHFFFAOYSA-N 244.172 2.689 0 40 BFAB O[C@H](c1ccccn1)c1c[nH]c2ccccc12 119562 XTNHYMXOUCGEHA-AWEZNQCLSA-N 224.263 2.645 0 40 BFAB CCC[C@H](C)NC(=O)c1cccc(C)c1 383587 MGMMFUGQJMNMKH-NSHDSACASA-N 205.301 2.913 0 40 BFAB CC(C)C(=O)NC(C)(C)c1nc2ccccc2[nH]1 544606 WHLGYCRBCVGOGA-UHFFFAOYSA-N 245.326 2.570 0 40 BFAB O=C(CCC1OCCCO1)c1cccc(F)c1 2581210 SJDWASFVSWYNDN-UHFFFAOYSA-N 238.258 2.552 0 40 BFAB CCCCC[C@@H]1[C@@H](O)CC[C@H]1CC(=O)OC 4025423 DZWZEZICFCEJOT-SRVKXCTJSA-N 228.332 2.517 0 40 BFAB biogenic CC[C@H](C)NC(=O)/C=C/c1ccc(C)o1 6120823 VTSVKSZNPVSKLN-FLOXNTQESA-N 207.273 2.516 0 40 BFAB O=C(c1ccco1)N(Cc1ccco1)C1CC1 6670737 ITBYFVACCYMGQJ-UHFFFAOYSA-N 231.251 2.677 0 40 BFAB CCOc1cccc(CNCC(C)C)c1 8325197 XUUNORYAFHIZDJ-UHFFFAOYSA-N 207.317 2.831 0 40 BFAB COc1ccc(-c2ccc(F)c(CN)c2)cc1 14629085 TYAFOLIQMWDDMC-UHFFFAOYSA-N 231.270 2.960 0 40 BFAB CCCOCCOc1ccc(N)cc1Cl 14630031 OKVUPXBWTGIMBC-UHFFFAOYSA-N 229.707 2.728 0 40 BFAB CN(CCc1ccccn1)c1ccccc1 17301981 KBMJIALIOLLWDY-UHFFFAOYSA-N 212.296 2.761 0 40 BFAB C[C@@H]1CCC[C@H](NC(=O)Cc2cccc(N)c2)C1 20155077 JANYZCITEHGONU-RISCZKNCSA-N 246.354 2.506 0 40 BFAB Nc1cccnc1Nc1cccc(F)c1 20317560 IFCYNXBTLSLFJW-UHFFFAOYSA-N 203.220 2.547 0 40 BFAB Cc1cnc(Nc2cccc(F)c2)c(N)c1 36242844 DZFXNUOOYUQTJE-UHFFFAOYSA-N 217.247 2.855 0 40 BFAB O=C(O)c1cccc(-c2ccns2)c1 38529154 FOMBLNHQUFNKKY-UHFFFAOYSA-N 205.238 2.508 0 40 BFAB CN(C)C(=O)c1csc(-c2ccsc2)n1 40467554 DXMJSAMEQBQABG-UHFFFAOYSA-N 238.337 2.573 0 40 BFAB CC(C)[C@H](NC(=O)c1cc[nH]n1)c1cccs1 40513597 IIRDVOUWECWMNN-NSHDSACASA-N 249.339 2.598 0 40 BFAB O=C(OCc1ccccc1)N1CCCCCO1 42750810 HZCJNPHSOYWZKT-UHFFFAOYSA-N 235.283 2.741 0 40 BFAB c1cnc(NCc2nc3ccccc3s2)nc1 44866669 PCBGJEIKDHGXSK-UHFFFAOYSA-N 242.307 2.698 0 40 BFAB CCCC(=O)N(C)CCCc1ccccc1 46896908 OVOCDOHRQZVLJQ-UHFFFAOYSA-N 219.328 2.878 0 40 BFAB COc1ccccc1CNc1cncc(Cl)n1 50107417 ZMZUACHUWNPEOO-UHFFFAOYSA-N 249.701 2.751 0 40 BFAB CCCC[C@@H](CC)C[C@@H](S)C(=O)O 59584408 MQKUWGMWXVSSDB-RKDXNWHRSA-N 204.335 2.976 0 40 BFAB CC(C)(C)c1nc(CCNc2ccccc2)n[nH]1 62719424 RGSVXBSCPKJSPW-UHFFFAOYSA-N 244.342 2.757 0 40 BFAB Cc1nn(C)c(C)c1[C@@H](C)NCc1ccsc1 63152573 SHDYRCCXWHGVRI-SECBINFHSA-N 249.383 2.949 0 40 BFAB CC[C@H](C)C(=O)OCc1cccc2cn[nH]c12 71922008 PENYXJUKHXHMQM-VIFPVBQESA-N 232.283 2.652 0 40 BFAB CCN1CCCC[C@H]1c1ccc(N(C)C)nc1 72212613 YYJCBNXCGCXOKX-ZDUSSCGKSA-N 233.359 2.695 0 40 BFAB CCOc1ccc([C@H](N)c2ccccc2)c(C)n1 72224181 RHOYCOJQJNGKBW-OAHLLOKOSA-N 242.322 2.837 0 40 BFAB c1ccc(C2CCN(c3cccnc3)CC2)nc1 72356918 GEIXYPYXCRUXLD-UHFFFAOYSA-N 239.322 2.861 0 40 BFAB CCS[C@@H]1CCCC[C@H]1NCc1ncc[nH]1 96455619 MPBOTMUOOJYSAU-GHMZBOCLSA-N 239.388 2.564 0 40 BFAB COc1ccc(OC)c2c1[C@H]1C[C@@H]3[C@@H]2[C@@H]13 104289286 VTSCFAUQUCVNCR-PRWGIXLZSA-N 202.253 2.534 0 40 BFAB CCCC[C@@H]1C[C@@H](O)CN1CCC(C)C 217880902 NFJLULSBDNGYRL-CHWSQXEVSA-N 213.365 2.658 0 40 BFAB CC[C@H](C)n1c(C)nc2ccc(N)cc21 223767720 VUFGIRQNYSQGME-QMMMGPOBSA-N 203.289 2.898 0 40 BFAB C[C@@H]1C[C@@H](C(=O)O)c2c1[nH]c1ccccc21 238417913 FDOUSMDGPRTRSE-VXNVDRBHSA-N 215.252 2.843 0 40 BFAB COc1cc(F)c(F)cc1C(=O)CCSC 382691591 ISSXTRLHRVXJFJ-UHFFFAOYSA-N 246.278 2.909 0 40 BFAB Cn1ncc2ccc(-c3ccccn3)cc21 1250511422 MCSOBBHQLPDRIY-UHFFFAOYSA-N 209.252 2.635 0 40 BFAB O=Cc1c(F)c(F)cc(C(F)F)c1F 1772716699 OVBVDFADVKNXCK-UHFFFAOYSA-N 210.101 2.854 0 40 BFAB S=C(NCCc1ccccn1)c1ccccc1 97455 KHUUNZRVNJULHR-UHFFFAOYSA-N 242.347 2.589 0 40 BFAB Cc1ccc(C(=O)O[C@H](C)CN2CCCC2)cc1 210646 QPYGUEXPHAAOCM-CYBMUJFWSA-N 247.338 2.636 0 40 BFAB CSc1ccc(C)cc1/C=C/C(=O)O 1701382 FSWNKLJXNQZVTK-GQCTYLIASA-N 208.282 2.815 0 40 BFAB COC(=O)[C@@H]1[C@@H](c2ccccc2)C1(Cl)Cl 1715142 BRJBXJNEVALXNT-BDAKNGLRSA-N 245.105 2.747 0 40 BFAB CCn1ncc(CNCCc2ccccc2)c1C 2536457 ZIBCWSRSAWYCPV-UHFFFAOYSA-N 243.354 2.544 0 40 BFAB c1cc2c(cc1[C@@H]1NCCCCCCO1)OCO2 4015390 KQMXLNYUWGXZHC-CQSZACIVSA-N 249.310 2.594 0 40 BFAB O=C(Nc1ccc(O)cc1)c1ccc(F)cc1 5513353 BIEXWTLSOKJVPK-UHFFFAOYSA-N 231.226 2.784 0 40 BFAB in-vitro S=C1N=C2c3ccccc3[C@@H]2C(=S)S1 5573591 YGOPPQFZAXLXBR-ZETCQYMHSA-N 235.358 2.932 0 40 BFAB CC(C)COC(=O)CCCC(=O)OCC(C)C 5759318 UFWRCRCDRAUAAO-UHFFFAOYSA-N 244.331 2.555 0 40 BFAB O=Cc1cn(Cc2ccccn2)c2ccccc12 8702310 BOLQEJKZRQXWKR-UHFFFAOYSA-N 236.274 2.897 0 40 BFAB C[C@@H]1C[C@@H]1C(=O)Nc1ccnn1C1CCCCC1 12890337 WXFANLOVBLDDNV-PWSUYJOCSA-N 247.342 2.983 0 40 BFAB CCCCNC(=O)COc1cc(C)cc(C)c1 14396205 MUPIBLPHMPZZGQ-UHFFFAOYSA-N 235.327 2.599 0 40 BFAB CC(C)c1ccccc1O[C@@H]1CCCNC1 14806954 DFJMRKMGDKDNAX-GFCCVEGCSA-N 219.328 2.941 0 40 BFAB in-vitro O=C(Nc1cccnc1)c1cc2ccccc2[nH]1 15096892 NLOUPEPYUGRKHG-UHFFFAOYSA-N 237.262 2.815 0 40 BFAB CCC[C@H](C(=O)O)c1ccccc1OC 16778409 LEROTGCSYGBESL-JTQLQIEISA-N 208.257 2.664 0 40 BFAB CCn1cc(NCc2ccccc2OC)c(C)n1 20350505 SBUKDAYENXGFSR-UHFFFAOYSA-N 245.326 2.832 0 40 BFAB O=C(O)c1c[nH]nc1-c1cc2ccccc2o1 20439719 MJARSEFLZBNZKP-UHFFFAOYSA-N 228.207 2.521 0 40 BFAB in-vitro CCCc1c(-c2ccccc2)noc1N 26512435 WWSWFNDTYNNQQI-UHFFFAOYSA-N 202.257 2.876 0 40 BFAB COc1ccc(C(=O)C2CC2)c(Cl)c1 36767419 NTKBLJOYBZEJFW-UHFFFAOYSA-N 210.660 2.941 0 40 BFAB CCc1cccc(CC)c1NC(=O)CNC1CC1 37386684 VYZDCHYIRVNLCI-UHFFFAOYSA-N 246.354 2.502 0 40 BFAB Brc1cnn(Cc2cccs2)c1 38074725 FVJIFODOMGSNNL-UHFFFAOYSA-N 243.129 2.755 0 40 BFAB Fc1ccc(-c2nc(-c3ccncc3)n[nH]2)cc1 40175825 DGMXVRBKJBKYQT-UHFFFAOYSA-N 240.241 2.673 0 40 BFAB O=C(Nc1cc(F)ccc1F)N1CCCC1 43237012 NAMUOPKJAVCZPX-UHFFFAOYSA-N 226.226 2.593 0 40 BFAB CCCn1c(SCC)nnc1-c1ccncc1 58872337 JTZQOTXTDVUZLG-UHFFFAOYSA-N 248.355 2.862 0 40 BFAB c1csc(CN[C@@H]2CCCSC2)c1 61571949 HKWZDLWKKIASJU-SECBINFHSA-N 213.371 2.733 0 40 BFAB O=C(O)C1(c2ccc3occc3c2)CC1 66349232 RRWKJVZZARHFPB-UHFFFAOYSA-N 202.209 2.549 0 40 BFAB O[C@@H](c1ccccc1)c1ccc(NC2CC2)nc1 72225700 MPWDWPXMOVDZPM-HNNXBMFYSA-N 240.306 2.738 0 40 BFAB O=Cc1ccc(N2CCCc3ccccc32)nc1 72225779 LKOGUEURGIJHIE-UHFFFAOYSA-N 238.290 2.978 0 40 BFAB O[C@H](C[C@@H]1CCCCCN1)c1cccs1 72314399 QWXLNLHPFKERAM-WDEREUQCSA-N 225.357 2.704 0 40 BFAB in-vitro CC[C@@H]1C[C@@H](C)CN1CCN1CCCCC1 80660069 OEYPFPDYDWDACF-ZIAGYGMSSA-N 224.392 2.593 0 40 BFAB Cn1ccc2ccc([C@@H]3CCCN3)cc21 82912634 PABOSKOCYLHRQQ-LBPRGKRZSA-N 200.285 2.603 0 40 BFAB COc1cccc2c1CCCN[C@@H]2C(C)C 84401288 AVASWMJPVUYJBE-CQSZACIVSA-N 219.328 2.928 0 40 BFAB COC(=O)c1cc(-c2csc(C)n2)ccc1O 85397481 LTAWTJGHLONDPG-UHFFFAOYSA-N 249.291 2.611 0 40 BFAB O=Cc1cc(Br)cc2c1OCCC2 95348175 DPBZAXYEYVZIKC-UHFFFAOYSA-N 241.084 2.587 0 40 BFAB Cc1ccoc1[C@H](C)NCC[C@H]1CCCO1 95978104 PMMVDUHQBOMIKS-NWDGAFQWSA-N 223.316 2.808 0 40 BFAB FC(F)(F)c1ccccc1N1CC=NC1=S 100722038 SEXSTTUHXJBVGM-UHFFFAOYSA-N 244.241 2.881 0 40 BFAB CC(C)(C)SCC(=O)N1C[C@H]2[C@H](C1)C2(C)C 102360811 RCPQPOJTVXHDLW-UWVGGRQHSA-N 241.400 2.633 0 40 BFAB CC(=O)N1N=CC[C@H]1[C@@H]1[C@@H](C)C=C(C)C[C@H]1C 102674616 HUMGQYPYCXKRLK-UZGDPCLZSA-N 234.343 2.831 0 40 BFAB Cc1cc(C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)no1 108481643 GCJYBHPTKXASRM-FBIMIBRVSA-N 236.315 2.538 0 40 BFAB Nc1ccc2c(C(F)(F)F)ccnc2c1 113972596 ADCNJVKBDKOPIY-UHFFFAOYSA-N 212.174 2.836 0 40 BFAB O=C1CCNc2c(Br)ccc(F)c21 169805262 ZGEJSTIVNPGOJR-UHFFFAOYSA-N 244.063 2.587 0 40 BFAB c1ncc([C@@H]2CCCN2)nc1NC1CCCCC1 205698048 ZKSFEJAYJOTMMD-LBPRGKRZSA-N 246.358 2.646 0 40 BFAB COC(=O)c1cccn1C1CCCCC1 223720809 SPOMOSVQBBIOEZ-UHFFFAOYSA-N 207.273 2.780 0 40 BFAB CC(C)N1NC2(CCCCCCC2)NC1=S 225348231 CJOGRBHCAAZDNX-UHFFFAOYSA-N 241.404 2.530 0 40 BFAB Cc1ccc2c(c1)c(C(F)F)cc(=O)n2C 225758460 GTIHTUAKGQNGHA-UHFFFAOYSA-N 223.222 2.785 0 40 BFAB COC(=O)C1c2ccccc2-c2ccccc21 227412 LQSPZSGFDFRDBS-UHFFFAOYSA-N 224.259 2.972 0 40 BFAB biogenic C[C@H](NC=O)c1ccc(Cl)c(Cl)c1 295699 OSRXSVSFUBKRNV-LURJTMIESA-N 218.083 2.800 0 40 BFAB O=C(O)CSCc1ccccc1Cl 1605508 WRXHOHCNQNSYIN-UHFFFAOYSA-N 216.689 2.658 0 40 BFAB in-vitro O=C(O)CCCCC(=O)c1ccc(F)c(F)c1 2378676 HWZQUDHAYOJXEV-UHFFFAOYSA-N 242.221 2.793 0 40 BFAB Cc1cc(Cl)c2[nH]c(C)cc(=O)c2c1 2564353 YIWGDBDLPVIKSN-UHFFFAOYSA-N 207.660 2.798 0 40 BFAB Fc1ccc(CNc2nnc(S)s2)cc1 4218705 NLVPLBFNQFSENM-UHFFFAOYSA-N 241.316 2.578 0 40 BFAB COC[C@@]1(C)C[C@H]2CCCC[C@@H]2C[C@@]1(C)O 5464625 LSNIDYPUZZOYIG-AAVRWANBSA-N 226.360 2.990 0 40 BFAB Cc1ccc(F)cc1C(=O)Nc1nccs1 9953199 UNIBFPYHOKFLLT-UHFFFAOYSA-N 236.271 2.843 0 40 BFAB CNC(=O)c1oc2c(Cl)cccc2c1C 14862069 WNDNSRCITIFTAL-UHFFFAOYSA-N 223.659 2.754 0 40 BFAB Cc1csc2nc(-c3ccccn3)cn12 15230590 QVQLRIDRLKDYCF-UHFFFAOYSA-N 215.281 2.766 0 40 BFAB CCOc1ccccc1[C@@H](C)NC[C@H]1CCCO1 19963772 ULLNWEZOXSSGKJ-CHWSQXEVSA-N 249.354 2.915 0 40 BFAB CN(CC[C@@H]1CCCCN1)Cc1ccccc1 20180446 BPRVCAZGIWLXRM-HNNXBMFYSA-N 232.371 2.651 0 40 BFAB Cc1c(-c2ccc(Cl)cc2)nn(C)c1N 26511918 JUTRYFZMQPNQMA-UHFFFAOYSA-N 221.691 2.631 0 40 BFAB O=Cc1ccc(C#Cc2ccc(C=O)cc2)cc1 34925676 IZJKYSQCRNPJHX-UHFFFAOYSA-N 234.254 2.711 0 40 BFAB C=CC(=O)Nc1ccc(-c2coc(C)n2)cc1 37006128 XYCHPRRQJNIKFX-UHFFFAOYSA-N 228.251 2.775 0 40 BFAB CC(=O)OCC(=O)c1ccc(Cl)cc1Cl 39151571 TVLYHTHOJUURLL-UHFFFAOYSA-N 247.077 2.739 0 40 BFAB COc1ccc([C@H](O)c2ccoc2)c(C)c1 40246252 VSBOPAJZEMGVRB-CYBMUJFWSA-N 218.252 2.678 0 40 BFAB Cc1ncsc1C(=O)N1C[C@@H](C)C[C@H](C)C1 40529533 HGTIFLSSBNVNEZ-IUCAKERBSA-N 238.356 2.570 0 40 BFAB Fc1cccc(NCc2ccccc2)n1 40711883 DYIOCCJMCWFULQ-UHFFFAOYSA-N 202.232 2.833 0 40 BFAB CC(C)(C)c1cccc(OC[C@H]2CCNC2)c1 42772811 AMAXXXMPMZUGKM-LBPRGKRZSA-N 233.355 2.972 0 40 BFAB Cc1ccc(C(=O)[C@@H]2CCC[C@H]2C(=O)O)c(C)c1 43879199 CRUKTNRPTRXQRA-CHWSQXEVSA-N 246.306 2.987 0 40 BFAB O=C(O)/C=C/c1csc(-c2ccccc2)n1 44214525 LBARJSCLNQZVTM-VOTSOKGWSA-N 231.276 2.908 0 40 BFAB CC[C@@H]1CCCN(C(=O)CC[C@@H]2CCCO2)C1 48199730 TXHYQOIEZWGOTE-OLZOCXBDSA-N 239.359 2.594 0 40 BFAB CC[C@@H](C)NC(=O)Nc1ccc(OC)c(F)c1 48450845 FWQJBPQQXZXGEX-MRVPVSSYSA-N 240.278 2.754 0 40 BFAB CC(C)N1CC[C@@H](Nc2nc3ccccc3o2)C1 49281851 HOZKGAFYRGACPE-LLVKDONJSA-N 245.326 2.722 0 40 BFAB CC(C)c1ccn(-c2ccc(C=O)cc2)n1 52884551 KNNGMTYDZDERFE-UHFFFAOYSA-N 214.268 2.808 0 40 BFAB COc1ccccc1[C@@H](O)COc1ccccc1 55352150 QWKSVVKZTGHKIY-AWEZNQCLSA-N 244.290 2.808 0 40 BFAB COC(=O)CCc1cccc2ccccc12 62170252 AZYKDLCVKJULJI-UHFFFAOYSA-N 214.264 2.945 0 40 BFAB CNC[C@@H](OC(C)C)c1cc(F)ccc1F 62711687 HXPHFRVIZBKGHS-GFCCVEGCSA-N 229.270 2.650 0 40 BFAB Cc1ncn(Cc2ncc(C(C)(C)C)o2)c1C 69420049 TXMKVERINAVEST-UHFFFAOYSA-N 233.315 2.834 0 40 BFAB CCN(C)c1ncccc1[C@H]1CCCCN1C 72212791 DLXGNZADGKYYIG-CYBMUJFWSA-N 233.359 2.695 0 40 BFAB CCOc1ccc2[nH]c(C)c(C=O)c2c1 82592504 SGZDCZLUWSFBKJ-UHFFFAOYSA-N 203.241 2.688 0 40 BFAB CCC[C@H](C)C(=O)N1CCCO[C@H]2CCC[C@@H]21 89949449 YYUZZXMHNICMID-AVGNSLFASA-N 239.359 2.593 0 40 BFAB COc1cc(C=O)c(-c2ccccc2)cn1 90411403 JFHYGKVPXSFHQL-UHFFFAOYSA-N 213.236 2.570 0 40 BFAB CCOCC1CCN(Cc2cccc(O)c2)CC1 93394348 QTDISICPHCXEGP-UHFFFAOYSA-N 249.354 2.641 0 40 BFAB CC[C@H](NC[C@@H]1CC=CCC1)c1noc(C)n1 95434077 TWFHNFKRMPQBHT-NEPJUHHUSA-N 235.331 2.775 0 40 BFAB CC(=O)OCCc1cc(F)cc(Cl)c1 95729986 AWGJEDPXHHXSMO-UHFFFAOYSA-N 216.639 2.585 0 40 BFAB O=c1[nH]c2cc(Cl)c(Cl)cc2s1 95950018 SEZYSUKQTKJYMC-UHFFFAOYSA-N 220.080 2.896 0 40 BFAB O=C1CCNc2c(F)cc(Br)cc21 169805254 NTVBZABSATYIEZ-UHFFFAOYSA-N 244.063 2.587 0 40 BFAB CC(C)NCc1ccc(Cc2ccco2)n1C 226021293 IXCOYBWXCCOWHW-UHFFFAOYSA-N 232.327 2.707 0 40 BFAB CC1(C)CNC[C@H]1c1cc(F)ccc1F 409429565 CTYDQAZTCIMDRR-JTQLQIEISA-N 211.255 2.678 0 40 BFAB COc1cc(OC)c(C(F)F)cc1OC 1857793682 JITCWLLRTUGISX-UHFFFAOYSA-N 218.199 2.650 0 40 BFAB Cc1cc(Sc2ccccc2)n2ncnc2n1 1004656 RMBQQWDBZRAECU-UHFFFAOYSA-N 242.307 2.584 0 40 BFAB COc1ccc(CCc2ccncc2)cc1 1592032 WUOBRCVSGPKAMH-UHFFFAOYSA-N 213.280 2.875 0 40 BFAB CCCOC(=O)/C=C/c1ccc(OC)cc1 1600507 WZXKPNYMUZGZIA-RMKNXTFCSA-N 220.268 2.662 0 40 BFAB CCn1nc(-c2cc(C)ccc2C)ccc1=O 5409917 WRDZNSIYBCQTNL-UHFFFAOYSA-N 228.295 2.547 0 40 BFAB c1ccc2c(c1)[nH]c1c(N3CCCC3)ncnc12 6499218 BQKNVBNXIKOWPY-UHFFFAOYSA-N 238.294 2.711 0 40 BFAB Clc1ccc(OCC2CCNCC2)cc1 6677967 KWLNQJLKIFFYNF-UHFFFAOYSA-N 225.719 2.718 0 40 BFAB O=Cc1cnc(Nc2ccccc2Cl)nc1 8730952 LKOMKDOCQWWAFO-UHFFFAOYSA-N 233.658 2.686 0 40 BFAB CCCOCCCOc1ccc(C=O)cc1 8731433 JUDNFLPYPVRPTD-UHFFFAOYSA-N 222.284 2.695 0 40 BFAB O=C(NCc1ccccn1)N1CCCCCCC1 9368443 LELNUYSPLPVADV-UHFFFAOYSA-N 247.342 2.557 0 40 BFAB CCn1nccc1C(=O)Nc1ccc(Cl)cc1 11696013 SPGFUIBNUKDZCN-UHFFFAOYSA-N 249.701 2.809 0 40 BFAB O=C(CCc1ccc(F)cc1)Nc1ccccn1 12537616 MYBJPBGRYGPLEG-UHFFFAOYSA-N 244.269 2.792 0 40 BFAB CCCOc1ccc(CNC[C@@H]2CCCO2)cc1 20092402 ATWHSTHTECUFBL-HNNXBMFYSA-N 249.354 2.744 0 40 BFAB CCN(CC)C[C@H](C)NCc1ccccc1 22073586 DELYVWUJKFYIQX-ZDUSSCGKSA-N 220.360 2.507 0 40 BFAB Cc1noc(C)c1CC(=O)Nc1ccccc1F 22392723 BTUFILJDWALCBL-UHFFFAOYSA-N 248.257 2.612 0 40 BFAB Cc1csc(NC(=O)CCc2ccco2)n1 25053767 USJOVZZVCWABJN-UHFFFAOYSA-N 236.296 2.616 0 40 BFAB COCC(=O)c1cc(Cl)ccc1Cl 36179838 DBINDJUFMCVYCG-UHFFFAOYSA-N 219.067 2.823 0 40 BFAB O[C@@H]1CCCC[C@H]1Oc1ccc(F)cc1F 37696134 MYJIDMDCPYJRAE-ZYHUDNBSSA-N 228.238 2.647 0 40 BFAB CCCNC(=O)c1cc(C)c(CC)s1 39975932 JUWCAAAZWIKCAZ-UHFFFAOYSA-N 211.330 2.759 0 40 BFAB CC(C)[C@@H](C)NC(=O)CCc1ccccc1F 40016047 UZIHCJUATATYNH-LLVKDONJSA-N 237.318 2.919 0 40 BFAB FC(F)(F)c1cccc(C[C@@H]2CCCN2)c1 41251035 OUAAXGWXYJOVSN-NSHDSACASA-N 229.245 3.000 0 40 BFAB in-vitro Cc1cccc(COCC[C@@H]2CCCNC2)c1 42771927 JLWRLBSRYUMYKH-AWEZNQCLSA-N 233.355 2.901 0 40 BFAB c1ccc(CCc2noc([C@H]3CCCO3)n2)cc1 65395155 CVAFHVXPCFJTEY-GFCCVEGCSA-N 244.294 2.706 0 40 BFAB CC[C@H](N)[C@@H]1CCCCN1C(=O)OC(C)(C)C 72208705 CGUGIQIRIKPHDO-QWRGUYRKSA-N 242.363 2.513 0 40 BFAB CC(C)C(=O)c1ccc(OCCF)cc1 72226513 MZZNONVDIPEBEE-UHFFFAOYSA-N 210.248 2.874 0 40 BFAB CCC(=O)N[C@@H](Cc1ccccc1)C1CC1 78826193 GJABGNOSZRTKOM-ZDUSSCGKSA-N 217.312 2.534 0 40 BFAB CCOC(=O)[C@@H](C)C(=O)c1ccc(Cl)cc1 85396813 XOKSTGHVNBKSSE-QMMMGPOBSA-N 240.686 2.722 0 40 BFAB C[C@@H](c1ccccn1)N1CCCSCC1 89980125 RYXPKUSEMRRTMR-NSHDSACASA-N 222.357 2.582 0 40 BFAB Brc1ccc2c(c1)SCCN2 90399879 QWWYGAWGUCQKDL-UHFFFAOYSA-N 230.130 2.967 0 40 BFAB CCC[C@H]1SCCN1C(=O)C1CC=CC1 95400189 UPKYSJHYKBDBAQ-LLVKDONJSA-N 225.357 2.654 0 40 BFAB Brc1cc(-c2ccccc2)n[nH]1 95704716 UHFVURICDHUWHP-UHFFFAOYSA-N 223.073 2.839 0 40 BFAB Fc1cc(S)ccc1COC[C@@H]1CCCO1 95738846 HPAKFRWSTVRQHX-JTQLQIEISA-N 242.315 2.810 0 40 BFAB C[C@H](c1cccc(F)c1)N1CCn2ccnc2C1 97201311 VMYCNBFGFFEUTF-LLVKDONJSA-N 245.301 2.599 0 40 BFAB CC(C)CCNCc1cc(C(C)C)nn1C 256054966 YNSCZWOKGHARQT-UHFFFAOYSA-N 223.364 2.679 0 40 BFAB O=C(O)c1c(OC(F)(F)F)ccc(F)c1F 1083811068 SHNXNNZMDPXDHQ-UHFFFAOYSA-N 242.099 2.562 0 40 BFAB CCc1cc(NC(=O)OC(C)(C)C)on1 1857780947 LTQZLJARRYIGAN-UHFFFAOYSA-N 212.249 2.584 0 40 BFAB CCc1cccc(NC(=O)c2ccncc2)c1 994741 DLMHLNUPERUYIZ-UHFFFAOYSA-N 226.279 2.896 0 40 BFAB COc1ccccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1C2 1115040 VNLRAFUIJPCGHP-DMDPSCGWSA-N 245.322 2.614 0 40 BFAB Clc1snnc1CSc1ccccn1 1391539 QPIVOXRXGWFUEK-UHFFFAOYSA-N 243.744 2.879 0 40 BFAB CCCCCC[C@@H]1N=C(C)O[C@@H]1C(=O)OCC 2077679 YTAGBHAZHZJPHG-RYUDHWBXSA-N 241.331 2.706 0 40 BFAB CC(C)(C)OC(=O)[C@@H]1CC1(Cl)Cl 2145209 LJLQISYXQQRLDM-YFKPBYRVSA-N 211.088 2.522 0 40 BFAB CCCCC[C@@H]1C[C@H](O)C=C(C)[C@@H]1C(=O)OC 3995538 WQGFGVARUZYEFH-UPJWGTAASA-N 240.343 2.683 0 40 BFAB biogenic O=C(O)c1ccccc1SC[C@H]1CCCO1 4207222 JSIXPZCPPOPSCY-SECBINFHSA-N 238.308 2.656 0 40 BFAB COc1ccnc(Nc2ccc(C)cc2)n1 4247450 VRPKGXPMZPVYQR-UHFFFAOYSA-N 215.256 2.537 0 40 BFAB COc1cc2c(cc1NC(C)=O)C(=O)CCCC2 5369152 QREYIWLHWILVQR-UHFFFAOYSA-N 247.294 2.563 0 40 BFAB CCOc1ccc(CNC2CC2)cc1OCC 8324848 XUWCMWCBINEKNA-UHFFFAOYSA-N 235.327 2.736 0 40 BFAB C[C@@H]1CCc2[nH]c3c(C(=O)O)cccc3c2C1 11757476 YDECTAHOPWOBON-MRVPVSSYSA-N 229.279 2.991 0 40 BFAB in-vitro Cc1cc(C)n(-c2ccc(N)cc2Cl)n1 12395373 KGQHBHZKVGKFPS-UHFFFAOYSA-N 221.691 2.725 0 40 BFAB O=C(O)c1ccc(Oc2nccs2)cc1 16678728 KITFLUYWYOYCSF-UHFFFAOYSA-N 221.237 2.634 0 40 BFAB O=C(O)[C@@H](c1cccc(Cl)c1)N1CCCC1 16755266 DWMRMDBMHZTHLT-LLVKDONJSA-N 239.702 2.562 0 40 BFAB CN(C)[C@@H](CN)c1ccc(Cl)cc1Cl 19255032 XGPRWFUASSGHKS-JTQLQIEISA-N 233.142 2.555 0 40 BFAB O=C(Nc1ccc(F)cn1)c1cccs1 28636074 VTZNBWPAAXJPTQ-UHFFFAOYSA-N 222.244 2.535 0 40 BFAB CC1(C)CCC[C@]2(C)C=C(C(=O)O)[C@H](O)C[C@@H]12 31169650 LQZXAHKUYJVAAR-UHIISALHSA-N 238.327 2.595 0 40 BFAB biogenic,in-vitro C[C@@H]1CC[C@@H]([S@](=O)c2ccccc2)C(=O)C1 38272528 IOEXQTWDEVPGTC-ZXIHIIQKSA-N 236.336 2.552 0 40 BFAB in-vitro CC(C)CCNC(=O)[C@@]1(C)CC1(Cl)Cl 40459564 KCUJGBVBJYSYTB-SECBINFHSA-N 238.158 2.733 0 40 BFAB CCOC(=O)[C@@H](C)Nc1ccc2ccccc2n1 49374334 YIDFBEIKIGRKBU-SNVBAGLBSA-N 244.294 2.598 0 40 BFAB Cc1cc(C)cc([C@@H](O)c2ccoc2)c1 68890726 GUEIHERBDQNVRF-ZDUSSCGKSA-N 202.253 2.978 0 40 BFAB Fc1ccc(-c2cncc(Cl)n2)cc1 71373520 QPCFEOIGFLYWAH-UHFFFAOYSA-N 208.623 2.936 0 40 BFAB in-vitro CCN1CCC[C@@H]1c1cnc(N(C)C)c(C)c1 72218611 MVZMHDAFOGHOFT-CYBMUJFWSA-N 233.359 2.613 0 40 BFAB COc1cccc(CNC(=O)/C=C/C(C)(C)C)c1 72275268 VAFHZVDQURQGQB-CMDGGOBGSA-N 247.338 2.914 0 40 BFAB Cc1ccc([C@H](NC(=O)NC2CC2)C2CC2)cc1 74016548 YTGSUQUQMCPKDG-AWEZNQCLSA-N 244.338 2.908 0 40 BFAB Nc1cc2cccc(Br)c2[nH]1 82952765 JRRWRCCFMXGVDT-UHFFFAOYSA-N 211.062 2.513 0 40 BFAB CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 89958991 LRANLCNIIWRQAJ-UHFFFAOYSA-N 247.747 2.516 0 40 BFAB Cc1ccc(CN2CCC[C@@](C)(CO)C2)s1 93340663 XCKKKDSFWVVZPF-CYBMUJFWSA-N 239.384 2.651 0 40 BFAB CO[C@H](C)CCOC(=O)C1(c2ccccc2)CC1 96442914 FFKAFPRLSINJRF-GFCCVEGCSA-N 248.322 2.686 0 40 BFAB Cn1cnc2nc(C3CCCC3)nc(Cl)c21 96529500 SJDLSRMAFANQJR-UHFFFAOYSA-N 236.706 2.674 0 40 BFAB C[C@H](CN[C@@H]1CC[C@@H](C)[C@@H](C)C1)C[C@@H](C)O 97379753 IQXHOTIPBGZYRD-MEBFFEOJSA-N 227.392 2.808 0 40 BFAB Cc1cccc(-n2nc3c(c2O)CCCC3)c1 100070232 IASTVFYYYLBDGK-UHFFFAOYSA-N 228.295 2.765 0 40 BFAB c1cc(N2C[C@H]3CCC[C@H]3C2)nc(C2CC2)n1 129055380 OPMKEZQJHCQWAW-TXEJJXNPSA-N 229.327 2.590 0 40 BFAB CCC(=O)c1c(F)c(F)c(F)c(F)c1F 147873810 FCWITTYOAQFQCE-UHFFFAOYSA-N 224.128 2.975 0 40 BFAB CCN(c1cc(Cl)ccc1C)[C@@H](C)C(=O)O 224992474 WCNXWZPJMSMCKO-VIFPVBQESA-N 241.718 2.948 0 40 BFAB C[C@H](OCc1cccc(Cl)c1)[C@H]1CO1 256052915 PEHMOSCALGMHIE-GZMMTYOYSA-N 212.676 2.644 0 40 BFAB CCOC(=O)c1cccc([C@@H]2CCCCN2)c1 616615590 QLZXNFLQSKFWQL-ZDUSSCGKSA-N 233.311 2.678 0 40 BFAB CSc1nc(C)cc(N2C[C@H]3CCC[C@@H]3C2)n1 1889073845 AQWKBWWOYAKBSX-GHMZBOCLSA-N 249.383 2.743 0 40 BFAB Nc1c(C(=O)C2CC2)oc2ccccc12 50025 AVXFPCCGHRUJFG-UHFFFAOYSA-N 201.225 2.608 0 40 BFAB CCCCCC[C@H](O)C(=O)OCCC(C)C 1687960 FMOZUKSKENNHCC-LBPRGKRZSA-N 230.348 2.907 0 40 BFAB COP(=O)(OC)C(=O)c1ccc(Cl)cc1 2569995 TUKCAVDKGXMEKW-UHFFFAOYSA-N 248.602 2.966 0 40 BFAB CC(C)C[C@@H](N)c1nc2ccccc2o1 4207323 YOZFIGMCBNHOJT-SECBINFHSA-N 204.273 2.874 0 40 BFAB Cc1nc(-c2ccc(O)cc2)sc1C(=O)O 4294446 PSKFNCWXDMYKEQ-UHFFFAOYSA-N 235.264 2.522 0 40 BFAB CCCNC(=O)/C(C)=C/c1ccccc1 4696223 RUCSNGQMDLYMNJ-ZHACJKMWSA-N 203.285 2.616 0 40 BFAB CSc1ccc(C(=O)Nc2cc(C)on2)cc1 5222874 LNWNYHILJMQALP-UHFFFAOYSA-N 248.307 2.957 0 40 BFAB CC(C)CNC(=O)c1ccc2ccccc2n1 5613880 PNHPULFWCYSEIT-UHFFFAOYSA-N 228.295 2.621 0 40 BFAB N[C@H](Cc1ccc2c(c1)OCO2)c1ccccc1 6581838 UYTHWQMJKBSROW-CYBMUJFWSA-N 241.290 2.658 0 40 BFAB CCOC(=O)Nc1nc2c(s1)C[C@H](C)CC2 12505131 FKKYTDRDMJFUKR-SSDOTTSWSA-N 240.328 2.836 0 40 BFAB CC[C@@H](C)NC(=O)c1cc2ccccc2[nH]1 12978853 DVKREIJNRGKYFQ-SECBINFHSA-N 216.284 2.696 0 40 BFAB S=C1[C@H]2CCC[C@H]2N=C2c3ccccc3CN12 16756651 NDRSTSINJROXCG-NWDGAFQWSA-N 242.347 2.759 0 40 BFAB CC[C@H](C)NC(=O)/C=C\c1ccccc1 17160873 HOKNEZLZDQSGDN-JUDLJHIGSA-N 203.285 2.615 0 40 BFAB O=C1CCCc2nccc(-c3ccc(O)cc3)c21 20153906 HRBFCXXQHPNZFH-UHFFFAOYSA-N 239.274 2.973 0 40 BFAB CCC(=O)c1ccccc1OC(F)F 20283176 GJDKFXPSSMGLKD-UHFFFAOYSA-N 200.184 2.881 0 40 BFAB in-vitro c1ccc(NCn2cnc3ccccc32)nc1 20528630 HDGVRIBCWBLVOB-UHFFFAOYSA-N 224.267 2.501 0 40 BFAB NC(=S)Nc1nc2ccc(Cl)cc2s1 22125000 CHUSWCBLKKTUKP-UHFFFAOYSA-N 243.744 2.605 0 40 BFAB Cc1ccc(-c2nnc(S)o2)c(C)c1 34074908 WNKQDBOCGWQUQA-UHFFFAOYSA-N 206.270 2.642 0 40 BFAB CN(C)CC[C@@H](O)c1ccc2ccccc2c1 35327607 MOCSVQOLWDFOND-OAHLLOKOSA-N 229.323 2.825 0 40 BFAB Fc1ccccc1-c1c[nH]c([C@H]2CCCN2)n1 36874064 JLIXAWCCHPMDBC-LLVKDONJSA-N 231.274 2.640 0 40 BFAB in-vitro CCc1cccc2c(=O)c(C)c(C)[nH]c12 37947561 ADNYPAVXBKAGIU-UHFFFAOYSA-N 201.269 2.707 0 40 BFAB Nc1ccc(OCC(F)F)c(C(F)(F)F)c1 42411069 ANFGHXIJUMZYLO-UHFFFAOYSA-N 241.159 2.932 0 40 BFAB COc1ccc2cc(CCCO)ccc2c1 44396270 XJCGHSRRUIJTPM-UHFFFAOYSA-N 216.280 2.773 0 40 BFAB O=C(O)c1cc(CCc2ccccc2)ccc1O 47843947 FDPUNEHVECXKLV-UHFFFAOYSA-N 242.274 2.876 0 40 BFAB O=C(NCCC1=CCCCC1)c1ccccn1 48325818 RAAZASTZFWUZNJ-UHFFFAOYSA-N 230.311 2.702 0 40 BFAB Cc1cnccc1NC(=O)c1ccccc1F 69532077 IEUDCKZMNOWRQZ-UHFFFAOYSA-N 230.242 2.781 0 40 BFAB CCN1CCC[C@H]1c1cnc(N(C)C)c(C)c1 72218612 MVZMHDAFOGHOFT-ZDUSSCGKSA-N 233.359 2.613 0 40 BFAB CCc1[nH]nc(NC(=O)c2cscc2C)c1C 79094858 SMNZWTYXJVFWGA-UHFFFAOYSA-N 249.339 2.903 0 40 BFAB COC1CCC(NCc2ccccc2)CC1 79436770 RTXXIIHHXLVDSV-UHFFFAOYSA-N 219.328 2.734 0 40 BFAB CCOC(=O)Cc1cc(C)c(Cl)cc1OC 82724849 LLWKCGSSEXXYGJ-UHFFFAOYSA-N 242.702 2.763 0 40 BFAB Cc1ccc(C2(CC(=O)O)CCC2)cc1 84367587 AEJHHDMDYMWNHG-UHFFFAOYSA-N 204.269 2.891 0 40 BFAB CCCn1cc(N[C@@H](C)CC(C)(C)OC)cn1 95991553 NFJVURWEJFLRRY-NSHDSACASA-N 239.363 2.909 0 40 BFAB NCCCCN(Cc1ccco1)C1CCCC1 96523763 CLZGZYPIDBDFDH-UHFFFAOYSA-N 236.359 2.763 0 40 BFAB CC(=O)c1ccc(C(=O)OC2CCC2)cc1 97084270 NHNJVERCNBDBHU-UHFFFAOYSA-N 218.252 2.599 0 40 BFAB c1c2c(nn1C1CCCCC1)C[C@@H]1CC[C@@H]2N1 110751105 CBVOHBYKQNAULQ-GWCFXTLKSA-N 231.343 2.738 0 40 BFAB O=Cc1ccnc(C(F)(F)C(F)(F)F)c1 169802196 MVIOMQMXCXKGIE-UHFFFAOYSA-N 225.116 2.548 0 40 BFAB Cc1cccc(N2CCN(C3CCC3)CC2)c1C 178979458 SLGFSXGXNLUGAB-UHFFFAOYSA-N 244.382 2.978 0 40 BFAB Cc1ccc([C@H](CN)N2CCC[C@@H](C)C2)cc1 216076716 VZNUIVSRDUUPPL-HIFRSBDPSA-N 232.371 2.727 0 40 BFAB CCn1nc(C)cc1NCc1cccc(O)c1 256052672 OGKOCAUPEKHYPY-UHFFFAOYSA-N 231.299 2.529 0 40 BFAB c1coc(-c2ccnc(-c3ccncc3)n2)c1 1399350 HFFWPHNCOQVRCH-UHFFFAOYSA-N 223.235 2.799 0 40 BFAB Oc1ccc([C@@H]2C[C@H](O)c3ccccc3O2)cc1 1594159 VIWWLMUBPMSXTF-ZFWWWQNUSA-N 242.274 2.949 0 40 BFAB CC(C)CCOC(=O)c1ccccc1C=O 1689280 HMNQUVGICBGSRM-UHFFFAOYSA-N 220.268 2.702 0 40 BFAB CCCC[C@H](CC)C(=O)NCc1cccnc1 2057667 PEWOGBZGIWGIBQ-ZDUSSCGKSA-N 234.343 2.914 0 40 BFAB CCc1nccc2cc(OC)c(O)cc12 3847240 MXDVRBJRSWZKLV-UHFFFAOYSA-N 203.241 2.511 0 40 BFAB biogenic O[C@@H]1Cc2ccccc2O[C@H]1c1ccccc1 4649471 OEIJRRGCTVHYTH-HIFRSBDPSA-N 226.275 2.724 0 40 BFAB biogenic,in-vitro Cn1c2c(c3cc(N)ccc31)CCCC2 5420394 ILLSWUPMFRIENE-UHFFFAOYSA-N 200.285 2.639 0 40 BFAB CC(C)C(=O)Nc1nc(-c2cccnc2)cs1 6306610 ZNRXBFJMDLPMSM-UHFFFAOYSA-N 247.323 2.800 0 40 BFAB NCCCOc1cccc(Cl)c1Cl 11569624 VGZZCKKBFPCUDN-UHFFFAOYSA-N 220.099 2.721 0 40 BFAB CC1(C)CO[C@@H](c2ccccc2Cl)CN1 11803231 DFWMZTVATFWCIA-LLVKDONJSA-N 225.719 2.780 0 40 BFAB in-vitro CC(C)[C@@H](Sc1ccccc1)C(=O)O 11954773 QAKDHYMWCUNISK-SNVBAGLBSA-N 210.298 2.888 0 40 BFAB in-vitro CN(Cc1ccccc1F)C(=O)C(C)(C)C 12984601 GEJMDJTWUBCHFH-UHFFFAOYSA-N 223.291 2.830 0 40 BFAB CC(C)(C)CC(=O)Nc1ccccc1O 12998444 BECOEELWDXAZBL-UHFFFAOYSA-N 207.273 2.767 0 40 BFAB CC(C)(C)c1ccc(O[C@@H]2CCNC2)cc1 14632239 QPBPBBLEQWUGSS-CYBMUJFWSA-N 219.328 2.725 0 40 BFAB CCOc1ccc(NC(=O)c2ccoc2)cc1 18184433 UXNAJGDAMQBDSL-UHFFFAOYSA-N 231.251 2.931 0 40 BFAB Cc1nc2ccccc2n1[C@@H](C(=O)O)C(C)C 19410822 LBSTVAAYZYPZIB-GFCCVEGCSA-N 232.283 2.626 0 40 BFAB in-vitro CC[C@H](Oc1cc(C)ccc1C)C(=O)NC1CC1 20108915 NMLUVKIIZHARLP-ZDUSSCGKSA-N 247.338 2.739 0 40 BFAB CCC1CCC(NCCN2CCCC2)CC1 20126751 ODBFPTYFWVTJES-UHFFFAOYSA-N 224.392 2.641 0 40 BFAB O=C(O)c1cccc(Oc2ccncc2)c1 21987345 HZLZWEINMPPFFX-UHFFFAOYSA-N 215.208 2.572 0 40 BFAB CC(C)(C)[C@@H](N)COc1ccccc1F 23071030 RAMFXVIHUDTMSI-NSHDSACASA-N 211.280 2.578 0 40 BFAB in-vitro Cc1ccc(CNC(=O)NC2CCCC2)cc1 30986916 PMBWOPPXCXKNKA-UHFFFAOYSA-N 232.327 2.737 0 40 BFAB C[C@@H]1C[C@@H](C)CN(C(=O)C[C@H]2C=CCC2)C1 32747731 XBRHKOKFAOVBSD-UPJWGTAASA-N 221.344 2.847 0 40 BFAB CC(C)=CC(=O)N[C@H](C)c1cccc(F)c1 33028246 AHDPCMLOXSTVOZ-SNVBAGLBSA-N 221.275 2.969 0 40 BFAB COc1ccc2[nH]cc(C(=O)C3CC3)c2c1 36945985 FUUZLHOTXYSVQK-UHFFFAOYSA-N 215.252 2.769 0 40 BFAB CC(C)(C)SCC(=O)Nc1ccccn1 40047650 IKVAKUODEDQRQV-UHFFFAOYSA-N 224.329 2.552 0 40 BFAB O[C@]1(C(F)(F)C(F)(F)F)C=CCCC1 43464539 IDTUHZNRUVESEG-ZCFIWIBFSA-N 216.149 2.655 0 40 BFAB Oc1cc(-c2ccccc2)nc(C(F)(F)F)n1 43464965 INWUUIYEZGHEMJ-UHFFFAOYSA-N 240.184 2.868 0 40 BFAB CCN(CC)C(=O)c1oc2c(c1C)C(=O)CCC2 58776939 UAZPQIBZQAYDBE-UHFFFAOYSA-N 249.310 2.589 0 40 BFAB Brc1ncsc1Br 72192363 SGTNRWMHEYAMAO-UHFFFAOYSA-N 242.923 2.668 0 40 BFAB CC(C)COc1cc(O)c(C=O)cc1Cl 72219732 ONKXRYFVKOQEQZ-UHFFFAOYSA-N 228.675 2.893 0 40 BFAB CCOC(COc1ccc(F)cc1)OCC 75881317 HISQDLGUCGVTTQ-UHFFFAOYSA-N 228.263 2.604 0 40 BFAB Cc1ccc([C@@H](O)CCC2OCCCO2)s1 95728567 OSDRDNDCHLOAEQ-JTQLQIEISA-N 242.340 2.633 0 40 BFAB Cc1csc(=N)n1-c1ccc(Cl)cc1 100840923 HOMJCFQTVDTGNT-UHFFFAOYSA-N 224.716 2.980 0 40 BFAB CN(C)CCCN1C[C@H]2CC[C@](C)(C1)C2(C)C 104391595 XOLYOIFACSAJQL-UKRRQHHQSA-N 238.419 2.696 0 40 BFAB CC(C)CCC[S@@](=O)Cc1ccccn1 191200171 IYVJFUYAMICTPU-OAHLLOKOSA-N 225.357 2.767 0 40 BFAB Oc1ccccc1SCCOCC(F)F 225440648 DSKSNZUUTRKXEL-UHFFFAOYSA-N 234.267 2.766 0 40 BFAB CCC(CC)NC(=S)Nc1ccc(C)cn1 225801864 ZAMDKRPYIVYVSY-UHFFFAOYSA-N 237.372 2.865 0 40 BFAB O=C(O)c1ccc(Cc2ccccc2F)nc1 257197672 GCRUVDXKFATQBW-UHFFFAOYSA-N 231.226 2.510 0 40 BFAB OCc1cscc1-c1cnc(C2CC2)o1 530251511 SHXVBIZBFQCGJY-UHFFFAOYSA-N 221.281 2.773 0 40 BFAB Cc1nccnc1OC1CCC(F)(F)CC1 585652126 WKGYELDYNIHQIB-UHFFFAOYSA-N 228.242 2.742 0 40 BFAB O=C(O)C[C@H]1COc2cc(C(F)(F)F)ccc21 585656373 NOZCBIITMRRHCC-LURJTMIESA-N 246.184 2.656 0 40 BFAB C1CCN(CCCCN2CCCCC2)CC1 1700503 ZOQCCTVNJZKRHO-UHFFFAOYSA-N 224.392 2.738 0 40 BFAB CC(=O)N1CCc2cc(C(C)C)ccc21 1859104 KPAJBPKNECJLKD-UHFFFAOYSA-N 203.285 2.719 0 40 BFAB CCCCO[C@H](C)CC(C)(C)OC(C)=O 2250630 ZUPWEEIULYBCPZ-SNVBAGLBSA-N 216.321 2.923 0 40 BFAB CCCC(=O)NCc1ccc2c(c1)cc(C)n2C 4057379 DJEXVOVJJGMKCM-UHFFFAOYSA-N 244.338 2.903 0 40 BFAB CCCCNC(=O)/C=C/c1ccc(OC)cc1 5419673 JZGANIAIXNHTIF-JXMROGBWSA-N 233.311 2.625 0 40 BFAB Cc1ccccc1[C@H]1CCCN1CCC(=O)O 12398735 HORNFGWOGGJQJS-CYBMUJFWSA-N 233.311 2.607 0 40 BFAB Cc1cc(N)ccc1N1[C@@H](C)CC[C@H]1C 17957886 DYDIERCDZVCGKM-PHIMTYICSA-N 204.317 2.954 0 40 BFAB O=c1c(Cl)c[nH]c2c(Cl)cccc12 19721903 QXJZICVCCGLVGL-UHFFFAOYSA-N 214.051 2.835 0 40 BFAB Cc1ccc([C@H](N)CN2CCCCCC2)cc1 19821212 JYNHGBAAFUVMLW-OAHLLOKOSA-N 232.371 2.871 0 40 BFAB O=C(Nc1cccc(O)c1)c1ccsc1 20211797 IPQPRLVBBAGTRS-UHFFFAOYSA-N 219.265 2.706 0 40 BFAB in-vitro CC[C@H](NC1CC1)c1ccc(OC)cc1 22144103 IZAJEAWMAVXAHU-ZDUSSCGKSA-N 205.301 2.898 0 40 BFAB CSCCC(=O)Nc1cnc2ccccc2c1 30931304 ZPCYWQVQMFIBDI-UHFFFAOYSA-N 246.335 2.926 0 40 BFAB CCN(Cc1ccccc1)c1ncccc1CN 34958031 WZTSTMNHSSARSL-UHFFFAOYSA-N 241.338 2.567 0 40 BFAB N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 37483365 SYKHNMBLUOWWIZ-QMMMGPOBSA-N 231.126 2.531 0 40 BFAB in-vitro COc1cc2c(cc1Cl)CCCC2=O 38812572 WEAXBHNVZJSHOY-UHFFFAOYSA-N 210.660 2.868 0 40 BFAB CCOc1cc(O)ccc1Br 39100305 NDCKONYYLNDXHQ-UHFFFAOYSA-N 217.062 2.553 0 40 BFAB O=C(O)CCc1csc2ccccc12 39206633 GTCFFWIYYOTHRS-UHFFFAOYSA-N 206.266 2.919 0 40 BFAB in-vitro CCc1ccc(C(=O)N[C@H](C)Cc2ccco2)o1 40082283 ZKBCCDBTKJAYLZ-SNVBAGLBSA-N 247.294 2.796 0 40 BFAB Cc1cc(NC(=O)c2cccnc2)ncc1Cl 40384039 XPCHDLYBTXUBRD-UHFFFAOYSA-N 247.685 2.691 0 40 BFAB CC(C)n1cc(C=O)c(-c2ccccc2)n1 40926245 SAJPGULNDDWHTL-UHFFFAOYSA-N 214.268 2.944 0 40 BFAB CCc1cc(Cl)ccc1OC[C@@H]1CCNC1 42770969 YPXLXWOUSWBHHT-SNVBAGLBSA-N 239.746 2.891 0 40 BFAB CC(=O)Nc1cccc(OC(F)(F)F)c1 43506325 BBLYNDRZXOWCNV-UHFFFAOYSA-N 219.162 2.544 0 40 BFAB O=C(Nc1cn[nH]c1)N1CCC[C@H]1C1CCCC1 48961184 XFWUVYPDNWANME-LBPRGKRZSA-N 248.330 2.596 0 40 BFAB O[C@H](CNCc1ccccc1)c1ccsc1 55063114 WMFNZCVQCSNEQQ-CYBMUJFWSA-N 233.336 2.571 0 40 BFAB in-vitro NCc1cc(Cl)ccc1OC(F)(F)F 66325571 JDHHWYYMKYZFOI-UHFFFAOYSA-N 225.597 2.697 0 40 BFAB CCc1noc(COc2cccc(Cl)c2)n1 69519011 KZEAYIAVSQGRNJ-UHFFFAOYSA-N 238.674 2.864 0 40 BFAB CCN1CCCC[C@@H]1c1ccc(N)nc1C 72218576 JWFCXPDYZNTVNG-GFCCVEGCSA-N 219.332 2.519 0 40 BFAB Cc1cnccc1[C@H]1CCCN1C(C)C 72219514 QUHPHKYHNIPZAP-CYBMUJFWSA-N 204.317 2.935 0 40 BFAB Cc1cc(NCc2ccccc2)ncc1C=O 72223357 FJBGZGJWIGJHNK-UHFFFAOYSA-N 226.279 2.815 0 40 BFAB O=c1cc(O)c2cc(C(F)(F)F)ccc2o1 75883123 VSYKGBWDDOBUSA-UHFFFAOYSA-N 230.141 2.517 0 40 BFAB COC(=O)CCc1ccc2nc(C)cc(C)c2c1 82781019 BFQVMEZJUYSUKI-UHFFFAOYSA-N 243.306 2.957 0 40 BFAB COc1ccc(/C=C/[N+](=O)[O-])cc1Cl 83188590 XAEBQJANFSJNOD-SNAWJCMRSA-N 213.620 2.596 0 40 BFAB OCCCSCc1ccc2ncccc2c1 85163657 ZGCQSAGZIJCJNM-UHFFFAOYSA-N 233.336 2.850 0 40 BFAB CO[C@H]1CCCC[C@@H]1CCNCC(C)C 85396095 GYEVVIUNKGVKDY-OLZOCXBDSA-N 213.365 2.827 0 40 BFAB Cn1cc(NCc2cc(Cl)cs2)cn1 86332348 HCRLCTSVOSTABV-UHFFFAOYSA-N 227.720 2.747 0 40 BFAB CC(C)(C)c1ccc2occ(C=O)c(=O)c2c1 90669484 LSZZADBHAIDFDM-UHFFFAOYSA-N 230.263 2.903 0 40 BFAB NCc1c(Cl)cccc1C(F)(F)F 95067839 FBTFFHJOEQDOLB-UHFFFAOYSA-N 209.598 2.818 0 40 BFAB CCOC(=O)c1cc(C)c(OCC)c(C)c1 95095321 WKZVJHCCEKZHCZ-UHFFFAOYSA-N 222.284 2.879 0 40 BFAB CCCn1cc(CNc2ncc(C)s2)cn1 95939350 ZQFAPXKDWYWPRJ-UHFFFAOYSA-N 236.344 2.670 0 40 BFAB Cc1ccccc1-c1nc(C)c(C(N)=O)s1 96024196 LRSMZCHUYBSXQD-UHFFFAOYSA-N 232.308 2.526 0 40 BFAB OCC1(Oc2cccc3ccccc23)CC1 96511792 ATALGWMXBQEPNI-UHFFFAOYSA-N 214.264 2.744 0 40 BFAB CCC(C)(C)OC(=O)c1cccc(C)n1 97049074 ZMKBABOJNTWUOO-UHFFFAOYSA-N 207.273 2.735 0 40 BFAB CC(=O)OC[C@]12CC=C(C)[C@@H]([C@H](C)OC1)[C@H]2C 100770040 KSCMOJQRHWGLDT-WVWOOGAGSA-N 238.327 2.557 0 40 BFAB Cc1cc(C(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)no1 101494777 XZTDGTZGCCWLJK-KKOKHZNYSA-N 248.326 2.538 0 40 BFAB O=C(c1cccs1)N1Cc2ccccc2C1 105981497 BBTHBNZUJBWKRA-UHFFFAOYSA-N 229.304 2.904 0 40 BFAB CCOc1cc(Br)cnc1C 114218457 BRHJJZJWSDPQBJ-UHFFFAOYSA-N 216.078 2.551 0 40 BFAB Cc1cc(C)c2nc(C)cc(NCCCN)c2c1 222685099 QPUZJCZFRHCFJQ-UHFFFAOYSA-N 243.354 2.921 0 40 BFAB Cc1cc(CN2CCCC[C@@H]2C(F)(F)F)on1 575606292 GTGHIBKVKICGGR-SNVBAGLBSA-N 248.248 2.900 0 40 BFAB CC(C)Oc1cnc2c(N)cccc2c1 685937636 MQOOMPSKSIDZTA-UHFFFAOYSA-N 202.257 2.604 0 40 BFAB COCOc1ccc(Cl)c(Cl)c1C=O 1083800062 ZLNVLPMSKGAUQR-UHFFFAOYSA-N 235.066 2.789 0 40 BFAB COc1ccc(-c2csc(NC(C)=O)n2)cc1 102013 XAFPANDNJFYZGN-UHFFFAOYSA-N 248.307 2.777 0 40 BFAB CCN(CC)C(=O)Cc1c(F)cccc1Cl 367310 OBOSOTLWGAHWFR-UHFFFAOYSA-N 243.709 2.890 0 40 BFAB Cc1cc(O)c(C)c2c1CC[C@H]1[C@H](C)C(=O)O[C@@H]21 1672586 ZLKGXNSQDUJSAU-YLGCSUCGSA-N 246.306 2.805 0 40 BFAB biogenic,in-vitro CCCCCC(=O)Nc1ccc(OC)nc1 2582423 XBBBOMFOECKEPI-UHFFFAOYSA-N 222.288 2.609 0 40 BFAB CC[C@@H]1CCCCN1C(=O)c1ccco1 2750609 LADITAMZKFVMBQ-SNVBAGLBSA-N 207.273 2.684 0 40 BFAB Cc1ccc(NC(=O)[C@@H]2CC2(C)C)cc1 3162382 DHKDXOPXQOLGJT-NSHDSACASA-N 203.285 2.980 0 40 BFAB CC1(C)CSC(NCCc2ccccc2)=N1 3246004 OOLZKKKTNMCSAF-UHFFFAOYSA-N 234.368 2.700 0 40 BFAB CCc1nc(CC)c(-c2ccccc2)c(=O)[nH]1 4565519 PUTPPNVCMNYRFY-UHFFFAOYSA-N 228.295 2.562 0 40 BFAB CCCN(CCC)C(=O)c1cccc(C(=O)O)c1 5832813 BEOWTCBXKHFAAK-UHFFFAOYSA-N 249.310 2.647 0 40 BFAB in-vitro CCC[C@@H](Oc1ccccc1Cl)C(=O)O 8730635 DVOPFFJHKYKLLM-SNVBAGLBSA-N 228.675 2.972 0 40 BFAB CCC(=O)Nc1nonc1-c1ccc(C)c(C)c1 15670756 FXKYAFAMSWHYHE-UHFFFAOYSA-N 245.282 2.702 0 40 BFAB NCc1cccc(COCc2ccccc2)c1 19261613 YSCFZTBGWPBNLY-UHFFFAOYSA-N 227.307 2.862 0 40 BFAB in-vitro CC(=O)c1ccc(OCc2cc(C)no2)cc1 20253783 KJUNDWDKDQDDNR-UHFFFAOYSA-N 231.251 2.765 0 40 BFAB Cc1ccc(NC(=O)c2cc(C)on2)c(F)c1 22918291 KSZJVMHICYSTGM-UHFFFAOYSA-N 234.230 2.683 0 40 BFAB CCCCCCNC(=O)c1cc(Cl)c[nH]1 25343178 AQMKIVRRWTYEQQ-UHFFFAOYSA-N 228.723 2.978 0 40 BFAB Fc1cccc(Cl)c1C[C@H]1CCCN1 26514119 ZRNARRDQRDXRDY-MRVPVSSYSA-N 213.683 2.774 0 40 BFAB in-vitro C[C@@H](N(C)Cc1ccc(C(N)=O)cc1)C(C)(C)C 27136008 KSBIBSUUNZJFHL-LLVKDONJSA-N 248.370 2.652 0 40 BFAB O=C(NC1CC1)c1cc(F)ccc1-n1cccc1 32087533 OCRVLUBMLVYCFD-UHFFFAOYSA-N 244.269 2.509 0 40 BFAB O=[S@@](O)c1cc(Cl)cc(Cl)c1 34288527 OGWMITSZMVMRSD-UHFFFAOYSA-N 211.069 2.574 0 40 BFAB Cn1ccc(=O)c2ccc(C(F)(F)F)cc21 40164071 RUGYUXALEULWJE-UHFFFAOYSA-N 227.185 2.557 0 40 BFAB Cc1ccccc1C(=O)CC(C)(C)C(=O)O 43214214 BCFWITROSMBDIT-UHFFFAOYSA-N 220.268 2.679 0 40 BFAB CCOC(OCC)c1ccccc1C(C)=O 43501996 PMOVOMIMFMJGNM-UHFFFAOYSA-N 222.284 2.961 0 40 BFAB Cc1cc(C(=O)N[C@@H](C)c2cccs2)no1 43544757 WNWAWOBUZHFYTR-QMMMGPOBSA-N 236.296 2.536 0 40 BFAB CC/C=C(\C)C(=O)NCc1cccs1 46042149 XOHWFURTEBTKII-WEVVVXLNSA-N 209.314 2.721 0 40 BFAB CCC[C@@H](C(=O)N[C@@H](C)COC)c1ccccc1 65621869 PEXNPUNIMLLHFL-GXTWGEPZSA-N 249.354 2.721 0 40 BFAB CC[C@@H](COC)N[C@@H](C)c1ccccc1 70623609 NUAMNNLHBPJIGZ-AAEUAGOBSA-N 207.317 2.762 0 40 BFAB CC[C@@H](COC)N[C@H](C)C1CCCCC1 70656772 BOIHZOOPSADPLT-YPMHNXCESA-N 213.365 2.970 0 40 BFAB COc1cccc(C[C@@H](C)NCC(C)C)c1 71444444 MWKNKKGVMCKTAJ-GFCCVEGCSA-N 221.344 2.872 0 40 BFAB CO[C@H](c1ccc(CC(=O)O)cc1)C(C)C 72220141 OYNBQIUNYAXYNO-ZDUSSCGKSA-N 222.284 2.657 0 40 BFAB CCCN(CCC)c1ccc([C@@H](C)N)cn1 72225283 VZRWYCZZUMHMPU-LLVKDONJSA-N 221.348 2.728 0 40 BFAB CC(C)N(CCO)[C@@H](C)c1ccc(F)cc1 79421185 SXDVVOOBFIYEPC-NSHDSACASA-N 225.307 2.589 0 40 BFAB Cc1nccc(C(=O)OC[C@H]2CC=CC[C@@H]2C)n1 79790603 BURHNMUPWULKKC-CMPLNLGQSA-N 246.310 2.544 0 40 BFAB COC(=O)c1c(C)cc2cccccc1-2 85223651 XUKZGJCCXHLQBP-UHFFFAOYSA-N 200.237 2.886 0 40 BFAB CCOc1c(Cl)ccc(C(=O)O)c1F 91252030 AMAJHTMBCOHVIL-UHFFFAOYSA-N 218.611 2.576 0 40 BFAB C[C@H](NC(=O)[C@@]1(C)CCCS1)C(C)(C)C 95449661 HFYLYIMLPCZGMG-JOYOIKCWSA-N 229.389 2.823 0 40 BFAB Cc1ccc(CN2CC[C@@]3(CCCCN3C)C2)o1 96203125 LSNAEDYFZVSSKK-HNNXBMFYSA-N 248.370 2.648 0 40 BFAB O=C(OCc1ccccc1)C1CCCC1 96972856 DNBHXBWIWOADBL-UHFFFAOYSA-N 204.269 2.920 0 40 BFAB CCCC(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 102583159 ZXTNXYYKULGWJB-RHYQMDGZSA-N 209.333 2.727 0 40 BFAB OCc1cccn1-c1ccc(Cl)cc1F 223731946 FRDGZXQALMILSM-UHFFFAOYSA-N 225.650 2.762 0 40 BFAB Oc1cc(O)c2scc(Cl)c2c1 228935067 RAAROZOFVOKIAS-UHFFFAOYSA-N 200.646 2.966 0 40 BFAB COC(=O)CCC(=O)c1c(C)cccc1Cl 393753828 VHMUXSMYYGOLMK-UHFFFAOYSA-N 240.686 2.784 0 40 BFAB COC(=O)CC[C@@]12C[C@H]3CC[C@]1(C)[C@@]3(C)CO2 583929834 UGVSIKFUZZMPNA-YXCITZCRSA-N 238.327 2.535 0 40 BFAB CCOC(=O)[C@H]1C[C@@H]1c1cc(C)cc(C)c1 1857793804 YRGPNLQAZXNRIN-OLZOCXBDSA-N 218.296 2.970 0 40 BFAB O=Cc1ccc(-n2nncc2-c2ccccc2)cc1 84026 LAVFRXHFQGXXRF-UHFFFAOYSA-N 249.273 2.747 0 40 BFAB CSc1ncc2c(n1)[nH]c1ccccc12 341601 MYQCYTHYRLABHQ-UHFFFAOYSA-N 215.281 2.833 0 40 BFAB Cc1ccn(C(=O)c2cccc(Cl)c2)n1 504469 AHEDQBKHOPNEQB-UHFFFAOYSA-N 220.659 2.533 0 40 BFAB CC(C)C(=O)Nc1ccc(N2CCCC2)cc1 1393206 OXLUOLIRIUFVTL-UHFFFAOYSA-N 232.327 2.881 0 40 BFAB O=C(OC[C@H]1CCCO1)c1ccccc1Cl 1586553 VYUQVDKGRUVUGE-SECBINFHSA-N 240.686 2.676 0 40 BFAB CCC[C@@](C)(O)CC[C@](C)(O)CCC 1596816 VGRYQTVSPZCCQK-VXGBXAGGSA-N 202.338 2.869 0 40 BFAB CCCC(=O)NCc1ccc(Cl)cc1 3095034 AOLOVPRVWXNVRZ-UHFFFAOYSA-N 211.692 2.756 0 40 BFAB CC[C@@H](C)[C@H](O)[C@H](C(=O)O)C1CCCCC1 4683093 RAYWBDQWWXCHQV-JLLWLGSASA-N 228.332 2.675 0 40 BFAB CC(C)(C)c1ccc(-c2noc(CCN)n2)cc1 8729133 SLNGJEDFVKHVLG-UHFFFAOYSA-N 245.326 2.535 0 40 BFAB CC(C)c1cc2cccnc2n1CCC(=O)O 19453077 SCKPYMFJJQUFMA-UHFFFAOYSA-N 232.283 2.634 0 40 BFAB Fc1ccc(CNC2CCCC2)cc1F 19883330 IVGSZQGTYLHYOG-UHFFFAOYSA-N 211.255 2.997 0 40 BFAB CCc1ccccc1O[C@H](C)C(=O)N(CC)CC 20484004 RGLLDDUVCZOFSO-GFCCVEGCSA-N 249.354 2.885 0 40 BFAB FC(F)(F)c1cccc([C@@]23CNC[C@@H]2C3)c1 27552938 QNUMSACSERBQDH-WDEREUQCSA-N 227.229 2.566 0 40 BFAB Cc1nc2c(s1)[C@@H](c1cccs1)NCC2 28428658 FNUGCJCOGKZMNL-SNVBAGLBSA-N 236.365 2.748 0 40 BFAB CCOc1cc(OC)ccc1C(=O)CC 30769098 PHHMFONPYUMKRT-UHFFFAOYSA-N 208.257 2.687 0 40 BFAB C[C@H]1C[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3 32721499 KEROWRDSVUVMLJ-VMBLYGAWSA-N 233.355 2.583 0 40 BFAB NCCc1nc2ccccc2n1-c1ccccc1 35411620 PETWCZQLBMCMLO-UHFFFAOYSA-N 237.306 2.527 0 40 BFAB CCOc1c(F)c(F)c(F)c(F)c1F 39261141 FLGNTIVCWQYTGI-UHFFFAOYSA-N 212.117 2.781 0 40 BFAB Cc1ccc(C)c(-n2cnc(Cl)c2C=O)c1 40150494 UYOALTNAHZJNGD-UHFFFAOYSA-N 234.686 2.955 0 40 BFAB CC[C@](C)(N)c1nc(C(F)(F)F)cs1 41059560 OBTBURAQQBMMFH-ZETCQYMHSA-N 224.251 2.746 0 40 BFAB O=C(c1cccc(C2OCCO2)c1)C1CCC1 43212602 AOLDONLFTMXSJM-UHFFFAOYSA-N 232.279 2.715 0 40 BFAB Cc1c2c(nc3c(O)ccc(Cl)c13)OCC2 44790231 IQOBHHQNXXKSSJ-UHFFFAOYSA-N 235.670 2.837 0 40 BFAB Brc1cccc(C[C@H]2CCNC2)c1 57955536 IFVYQVBUSIPOTN-SNVBAGLBSA-N 240.144 2.601 0 40 BFAB Cc1cc(F)ccc1[C@@H](O)c1ccoc1 68890724 DVFAXSSGLSGXPQ-LBPRGKRZSA-N 206.216 2.809 0 40 BFAB CN1CC[C@@H](Nc2ccc(C(C)(C)C)cc2)C1=O 71183400 LKRWIZUGKMASIK-CYBMUJFWSA-N 246.354 2.627 0 40 BFAB CCCN(CCC)c1ncc(CNC)cc1C 72222261 HJRRQHUYNOSVBM-UHFFFAOYSA-N 235.375 2.736 0 40 BFAB Cc1cc(SC(C)(C)C)ncc1CCO 72223877 NFHZCXKDRPQTOZ-UHFFFAOYSA-N 225.357 2.815 0 40 BFAB CCN(CC)C(=O)c1c[nH]c2ccc(F)cc12 82272953 UEFJPRQFCMKELO-UHFFFAOYSA-N 234.274 2.789 0 40 BFAB CCOC(=O)c1cc(Cl)c(OC)cc1OC 82724354 VRXNFXWJYIXSNC-UHFFFAOYSA-N 244.674 2.534 0 40 BFAB COc1cccc(C(C)=O)c1Br 84506931 HULDTYWPYADGGL-UHFFFAOYSA-N 229.073 2.660 0 40 BFAB NCC1CCN(CCC2CCCCC2)CC1 87473676 HIFBJDFQYPFRCA-UHFFFAOYSA-N 224.392 2.628 0 40 BFAB CC[C@@H](C)[C@H](N)CN(C)CCc1ccccc1 88243045 CKSJPVOOZAFKCS-UKRRQHHQSA-N 234.387 2.534 0 40 BFAB CC[C@@H](C)NC(=O)[C@H](C)c1ccccc1 96319168 FVOVRIBKKZMJNZ-GHMZBOCLSA-N 205.301 2.705 0 40 BFAB Cc1csc(CNc2nnc(C(C)C)o2)n1 97045371 APZPXPJKILIOJM-UHFFFAOYSA-N 238.316 2.570 0 40 BFAB CCC(CC)NC(=S)Nc1cccc(C)n1 225801899 QRDAMHQTMNYWCH-UHFFFAOYSA-N 237.372 2.865 0 40 BFAB CC(C)n1cc(CNc2cnn(C(C)C)c2)cn1 227663554 LCVQDKLUQGQPGQ-UHFFFAOYSA-N 247.346 2.854 0 40 BFAB COCOc1cc(Cl)cc(Cl)c1 306156619 MHIMFNTXRVACIG-UHFFFAOYSA-N 207.056 2.976 0 40 BFAB CCc1c(C)[nH]c2cc(C)ccc2c1=O 685938537 NGOZGAAKDRWOFF-UHFFFAOYSA-N 201.269 2.707 0 40 BFAB O=Cc1c(OC(F)(F)F)ccc(F)c1F 1083811112 XWNWPQWODQFLBG-UHFFFAOYSA-N 226.100 2.676 0 40 BFAB Nc1cc2c(Br)c(F)ccc2cn1 1503915578 XACYGKVWEMFPOT-UHFFFAOYSA-N 241.063 2.719 0 40 BFAB Cc1cc2c(Cl)nc(Cl)nc2cn1 1857793326 SAERHFVXJJUQOQ-UHFFFAOYSA-N 214.055 2.640 0 40 BFAB C[C@@]1(O)c2ccccc2-c2ccccc2[C@@]1(C)O 42736 PVSIBGSXKKPZNX-HZPDHXFCSA-N 240.302 2.782 0 40 BFAB Cc1cccc(NC(=O)c2ccc(N)cc2)c1 225980 QLOYXVNYOLDJJS-UHFFFAOYSA-N 226.279 2.830 0 40 BFAB CC[n+]1c(C)sc2cc(OC)ccc21 272319 HKQROWSBHJWGRE-UHFFFAOYSA-N 208.306 2.526 0 40 BFAB CCC[C@@]1(CC)NC(=S)N(c2ccccc2)N1 1245543 SUEZLMVGAMLNQK-ZDUSSCGKSA-N 249.383 2.792 0 40 BFAB COC(=O)c1ccc(OCC(C)C)cc1 1476176 RCRQMSBRYCDOSX-UHFFFAOYSA-N 208.257 2.508 0 40 BFAB Cc1cc(S)c2cc3c(cc2n1)OCO3 1575239 HZRZFQMPJGRYNC-UHFFFAOYSA-N 219.265 2.561 0 40 BFAB O=C(Nc1ccccc1O)/C(Cl)=C/Cl 1587495 XNCHLRKAWOAMGL-WAYWQWQTSA-N 232.066 2.650 0 40 BFAB C1=CO[C@H](C2Nc3ccccc3N2)CC1 2044916 XXHFEOWVGSHUNF-NSHDSACASA-N 202.257 2.543 0 40 BFAB CCc1ccc(/C=C\c2ccc[nH]2)[n+](C)c1 4995550 KWLLSHDHOYAJQY-UHFFFAOYSA-O 213.304 2.572 0 40 BFAB CC1=C(C)[C@H](c2ccccc2)NC(S)=N1 8686604 LVLSWQUSHVNHNB-LLVKDONJSA-N 218.325 2.911 0 40 BFAB Nc1cccc(COc2cccc(F)c2)c1 19273480 WXEKQNRKZZUIOG-UHFFFAOYSA-N 217.243 2.987 0 40 BFAB in-vitro Cc1ccccc1O[C@H](C)CNC[C@H]1CCCO1 19737896 QQMGUCADIKMKLI-ZIAGYGMSSA-N 249.354 2.531 0 40 BFAB CCCOc1ccc(CNCCCOC)cc1 20142853 JWRKFYUARWETHE-UHFFFAOYSA-N 237.343 2.602 0 40 BFAB Nc1cccc(CC(=O)OC2CCCCC2)c1 20155000 OWSTXOVIICBZDP-UHFFFAOYSA-N 233.311 2.687 0 40 BFAB C[C@@H]1CC(=O)c2c(-c3ccccc3)nn(C)c2C1 20572547 VJSNLIZFFQMDIF-JTQLQIEISA-N 240.306 2.852 0 40 BFAB Cc1ccsc1CNC(=O)c1ccoc1 25719204 WGJWAOFGZYJXQD-UHFFFAOYSA-N 221.281 2.580 0 40 BFAB Clc1ccc(COC[C@H]2CCCNC2)cc1 28521962 VBQRVKGHLKMXDU-LBPRGKRZSA-N 239.746 2.856 0 40 BFAB COc1ccc(NC(C)=O)cc1OC1CCCC1 31225136 HCGTZVRLESBMCI-UHFFFAOYSA-N 249.310 2.975 0 40 BFAB CCOc1ccc(OC)cc1CNC(C)C 34656056 ISVMDVAGXLYZEP-UHFFFAOYSA-N 223.316 2.592 0 40 BFAB C[C@H](Nc1ncnc2ccccc12)C1CC1 37488377 FLFRUQIZVOZXBE-VIFPVBQESA-N 213.284 2.840 0 40 BFAB CSc1nccc(CC(=O)c2ccccc2)n1 39365380 RERFOTMKOSGPFE-UHFFFAOYSA-N 244.319 2.624 0 40 BFAB Cc1cc(=O)c2cccc(C(F)(F)F)c2n1C 40164081 COOFJPNYKNQLND-UHFFFAOYSA-N 241.212 2.866 0 40 BFAB c1ccc(SCC[C@H]2CCCCN2)nc1 43499469 HNXQSOOCEHVHEA-LLVKDONJSA-N 222.357 2.706 0 40 BFAB CNC[C@@H](OC(C)C)c1ccc(C)cc1 50483480 YKOIVKYDWNIMOX-CYBMUJFWSA-N 207.317 2.681 0 40 BFAB C[C@H](C1CC1)N(C)C(=O)[C@H]1CC=CCC1 58313136 HVHNZKUDCBNHIA-PWSUYJOCSA-N 207.317 2.600 0 40 BFAB COc1ccc(C2=NC(C)(C)N=C2S)cc1 67240495 WGEVPCTUPFXCOC-UHFFFAOYSA-N 234.324 2.562 0 40 BFAB CCN1CCCC[C@H]1c1cccnc1N(C)C 72212673 QDXDJBTXLRJNTF-ZDUSSCGKSA-N 233.359 2.695 0 40 BFAB CCCNc1ccc([C@H]2CCCCN2)cn1 72213207 SXPPNGJXCJVXRA-GFCCVEGCSA-N 219.332 2.718 0 40 BFAB Cc1nc(N)ccc1[C@@H]1CCCN1CC(C)C 72218563 ZOTBGCYHHKCALE-ZDUSSCGKSA-N 233.359 2.765 0 40 BFAB N[C@@H](c1ccccc1)c1ccc(Cl)nc1 72225852 XGGPEQYCNLZHEO-LBPRGKRZSA-N 218.687 2.783 0 40 BFAB Cc1ccc(Cn2cnc(C)c2C)cc1 72282491 MFWCZFYFZDBKDC-UHFFFAOYSA-N 200.285 2.857 0 40 BFAB c1ccc(CN(C[C@@H]2CCCCN2)C2CC2)cc1 79438008 XKZOLVAAKWLWKB-HNNXBMFYSA-N 244.382 2.793 0 40 BFAB CC(C)[C@@H](CC(=O)O)c1cccc(O)c1 82944096 GQJPJYDMMNUILI-LLVKDONJSA-N 208.257 2.607 0 40 BFAB C[C@@H](N)CCc1ccccc1OC(F)F 84349469 QMOCFZITESZEES-MRVPVSSYSA-N 215.243 2.568 0 40 BFAB CNc1cc(C)nc(Nc2ccc(OC)cc2)n1 84555470 WHAYSWIEJNWERQ-UHFFFAOYSA-N 244.298 2.579 0 40 BFAB CC(C)C(=O)c1cncc(Br)c1 87265724 DFFCMXJWKJYFIN-UHFFFAOYSA-N 228.089 2.683 0 40 BFAB C[C@H]1CCCC[C@H]1OCC(=O)N1CCCCC1 89927781 OLZBBEOFDPPCHI-QWHCGFSZSA-N 239.359 2.594 0 40 BFAB NCc1ccc(Cl)cc1OC(F)(F)F 91252317 FCHFGYFFPMJWQT-UHFFFAOYSA-N 225.597 2.697 0 40 BFAB CCCOc1ccc(Cn2nc(C)nc2C)cc1 95453254 PNKDAQSXTHXFHL-UHFFFAOYSA-N 245.326 2.732 0 40 BFAB CCNC(=O)c1cccc(Oc2ccccn2)c1 96122660 MPWVXYBZZBJOAF-UHFFFAOYSA-N 242.278 2.624 0 40 BFAB CCS[C@@H]1CCC[C@@H]1Nc1nnc(C)s1 96482473 OCNXCLLVGFPVPR-DTWKUNHWSA-N 243.401 2.933 0 40 BFAB CC(C)NC(=O)[C@H](C)SCC1CCCC1 97138558 KIVMQYSFIZBIEJ-JTQLQIEISA-N 229.389 2.823 0 40 BFAB CC(C)N1CC[C@H](Sc2cccs2)C1=O 98016319 CBCKWHAAPCKBPH-VIFPVBQESA-N 241.381 2.850 0 40 BFAB Cc1cc(-c2ccc(C=O)o2)ccc1C(=O)O 98063951 QMIDVBBBWIJYKC-UHFFFAOYSA-N 230.219 2.766 0 40 BFAB C[C@H]1CN(CCCc2ccccc2)[C@@H](C)CO1 106860099 MNZNLVJHYGLODP-KBPBESRZSA-N 233.355 2.728 0 40 BFAB C[Si](C)(C)NCCCCN[Si](C)(C)C 170160583 RGJRTSKMSWYFCI-UHFFFAOYSA-N 232.520 2.616 0 40 BFAB FC(F)(F)c1c(Cl)ncnc1Cl 218276060 GMIGBMWWLRNILS-UHFFFAOYSA-N 216.977 2.802 0 40 BFAB N[C@H]1CCCC[C@@H]1Nc1ccc(F)c(F)c1 218867266 RFOVCRVTQMVCNT-RYUDHWBXSA-N 226.270 2.647 0 40 BFAB NC1C2(CCCCC2)OC12CCCCC2 225751350 OAQXNIZQQDGKBF-UHFFFAOYSA-N 209.333 2.750 0 40 BFAB CC(C)n1ncc2c1N[C@@H]1CCC[C@H]1C2 225813534 IXRCEJNAXWHWRH-GXSJLCMTSA-N 205.305 2.601 0 40 BFAB COC(=O)c1cc(C)n(Cc2ccc(C)o2)c1C 226033601 VPWVLQWJDDWCNK-UHFFFAOYSA-N 247.294 2.841 0 40 BFAB CCn1cc(NCc2ccc(F)s2)cn1 256053411 RIPIWZYRVAIXIG-UHFFFAOYSA-N 225.292 2.716 0 40 BFAB C[C@H](Oc1cc(C2CC2)ncn1)C(F)(F)F 585651128 AMOVNSPOBKRURZ-LURJTMIESA-N 232.205 2.684 0 40 BFAB O=C(CCN1CC2CCC(CC2)C1)c1ccco1 1615798 OLLQHBORBMBJSA-UHFFFAOYSA-N 247.338 2.974 0 40 BFAB CCCCC(CC)(COC(C)=O)COC(C)=O 1694355 IMLLXJLPENSGTR-UHFFFAOYSA-N 244.331 2.699 0 40 BFAB CCCCC(=O)CCCCC(=O)OCC 2379050 ABYZTYKKLSUMLT-UHFFFAOYSA-N 214.305 2.869 0 40 BFAB CC(C)Sc1ccccc1C(=O)N(C)C 8041693 OQMIJXFGORUPSS-UHFFFAOYSA-N 223.341 2.889 0 40 BFAB CC(=O)c1c(C)[nH]c(C(=O)OCC(C)C)c1C 8341575 SKLLVZBODLFAJS-UHFFFAOYSA-N 237.299 2.647 0 40 BFAB COc1cc2c(cc1OC)[C@@H](CC(C)C)NCC2 11598980 SETZAJBDVLCYRS-CYBMUJFWSA-N 249.354 2.937 0 40 BFAB O=C(O)c1cc(Cl)cn1Cc1ccccc1 12803960 NXMRANJXAMUFID-UHFFFAOYSA-N 235.670 2.888 0 40 BFAB CC(C)Cn1c(CCCN)nc2ccccc21 19734039 VKHYXZGHCNCEMJ-UHFFFAOYSA-N 231.343 2.584 0 40 BFAB N[C@@](C(=O)O)(c1ccccc1)C1CCCCC1 20230488 BRBQDZBKZKUUMW-AWEZNQCLSA-N 233.311 2.506 0 40 BFAB O=C(O)CCC1CCN(Cc2ccccc2)CC1 33487603 KMSCTVASFWGIKP-UHFFFAOYSA-N 247.338 2.763 0 40 BFAB O=C(c1ccccc1)c1cc(F)cc(F)c1O 39120865 LAWYDCMBDMJCNO-UHFFFAOYSA-N 234.201 2.901 0 40 BFAB NCCc1cc(C(F)(F)F)cc(Cl)c1F 44248905 DRVLENHSITVKAM-UHFFFAOYSA-N 241.615 2.999 0 40 BFAB CCC(=O)N(Cc1cccs1)C1CC1 45257722 OWGBTPJYXRYWFX-UHFFFAOYSA-N 209.314 2.649 0 40 BFAB CC(C)N(CCO)Cc1c(F)cccc1Cl 49824734 FCVXAYNMBNECPS-UHFFFAOYSA-N 245.725 2.682 0 40 BFAB CCCc1nc(Cl)c2c(n1)c(C)nn2CC 57354547 RLEJYSDXPGTZOG-UHFFFAOYSA-N 238.722 2.761 0 40 BFAB CC[C@@H]1CCCCN1C(=O)c1scnc1C 58295575 QOWHPLALTSJWGY-SNVBAGLBSA-N 238.356 2.856 0 40 BFAB C[C@H](N)c1cccc(OC(F)(F)F)c1 61703535 XRRKIDIISISOKH-LURJTMIESA-N 205.179 2.605 0 40 BFAB in-vitro Cc1cnn(CCN[C@@H](C)c2ccccc2F)c1 70037152 ZWYXECYCNUEOSE-LBPRGKRZSA-N 247.317 2.681 0 40 BFAB c1ccc(N2CC[C@H](NCc3ccco3)C2)cc1 71882469 XGGKMXYGRYOXGM-ZDUSSCGKSA-N 242.322 2.648 0 40 BFAB CC[C@@H](NC)[C@@H](NC(=O)OC(C)(C)C)C(C)C 72207631 RHJTUWWWRIQKAM-MNOVXSKESA-N 244.379 2.534 0 40 BFAB COc1ccc2onc(NC(C)C)c2c1 72208989 IXXRNLLFXZADDV-UHFFFAOYSA-N 206.245 2.657 0 40 BFAB Cc1noc([C@H]2CCN(CC3CCCCC3)C2)n1 72357186 OCLQPTSYJOHDSO-ZDUSSCGKSA-N 249.358 2.748 0 40 BFAB CC(C)[C@H]1CN(C(=O)c2ccccc2)CCS1 76067623 IAPZYGUSVVKTBP-CYBMUJFWSA-N 249.379 2.900 0 40 BFAB Cc1ccc(-c2n[nH]c(=S)n2C)c(C)c1 77328792 ZJKTVJKFWBOCDM-UHFFFAOYSA-N 219.313 2.762 0 40 BFAB COc1cc(Cl)c([S@@](=O)O)cc1Cl 82549933 CTJXQYSPITYXOS-UHFFFAOYSA-N 241.095 2.583 0 40 BFAB Cc1ccc(NC(=O)OC(C)(C)C)cc1CN 84250619 WAGFDSCFRHRODC-UHFFFAOYSA-N 236.315 2.801 0 40 BFAB CS[C@H](C)CNC(=O)Nc1cccc(F)c1 89901160 VWZNOGUQNXCLPV-MRVPVSSYSA-N 242.319 2.699 0 40 BFAB Oc1cccc2c1CC[C@H]2Nc1ccccn1 91485170 RBLMMPLFJYILGE-GFCCVEGCSA-N 226.279 2.887 0 40 BFAB Clc1cnc(Oc2ccc3cn[nH]c3c2)nc1 95411562 JPDYDIZOUJTZKI-UHFFFAOYSA-N 246.657 2.799 0 40 BFAB Cc1c[nH]c2cnc(Br)cc12 95644171 WPBITVZGBSUWRD-UHFFFAOYSA-N 211.062 2.634 0 40 BFAB CC(C)N[C@H](c1ccc(F)cc1)c1ccn(C)n1 97034837 JTBRTQZDYBURAS-CQSZACIVSA-N 247.317 2.647 0 40 BFAB OC[C@@]12c3ccccc3[C@H]3c4ccccc4[C@H]1[C@@H]32 100971928 HUSHTEIJWWUKCO-YYIAUSFCSA-N 234.298 2.789 0 40 BFAB c1ccc(OCCN2C[C@@H]3CCC[C@H]3C2)cc1 153303574 SUVDYCAUPCDFJO-KBPBESRZSA-N 231.339 2.797 0 40 BFAB CC(C)c1cc(C(F)(F)F)ncc1O 199563024 WEOSEZHZFFEILI-UHFFFAOYSA-N 205.179 2.929 0 40 BFAB Cn1c(-c2cc3ccccc3cn2)n[nH]c1=S 228975753 SAHHPGGEYISNKB-UHFFFAOYSA-N 242.307 2.693 0 40 BFAB C[C@H](O)CC[C@H]1CCCN1C(=O)OC(C)(C)C 252495657 OVDNBDMLFKXZLE-WDEREUQCSA-N 243.347 2.547 0 40 BFAB CC(C)(c1ncccc1N)C(F)(F)F 256054222 VMRXPDZTXPSPCH-UHFFFAOYSA-N 204.195 2.504 0 40 BFAB COC(=O)c1cccc(C(=O)C2CCCC2)c1 257981201 KEVWTUYRGGDXHT-UHFFFAOYSA-N 232.279 2.846 0 40 BFAB COC(=O)c1cc(-c2cccc(C)c2C)on1 260192644 PWRTWIVECLFWCA-UHFFFAOYSA-N 231.251 2.745 0 40 BFAB Cc1cnc(Nc2cccc(F)c2C)nc1O 408979979 PBUOLPXXUIDYJE-UHFFFAOYSA-N 233.246 2.682 0 40 BFAB O=C(C1CCC1)N1CC[C@@H](c2ccsc2)C1 675008223 JJIYZTKAWZENHA-LLVKDONJSA-N 235.352 2.864 0 40 BFAB CC(=O)N(C1=NCCCS1)c1ccc(C)cc1 1327877 IYOICYSPQUNULK-UHFFFAOYSA-N 248.351 2.841 0 40 BFAB CC(C)CC(=O)C[C@@H](O)C(Cl)(Cl)Cl 1730539 LXHWHFYGBOTFKX-SSDOTTSWSA-N 247.549 2.723 0 40 BFAB in-vitro Cn1c(Cl)c(C(=O)O)c2ccccc21 1761278 AQPMLAXHNBHLTF-UHFFFAOYSA-N 209.632 2.530 0 40 BFAB biogenic Cc1cccc(NC(=S)NN2CCCCC2)c1 3359525 DXPYMVQZYVRBDZ-UHFFFAOYSA-N 249.383 2.682 0 40 BFAB C=Cn1c(C(=O)O)ccc1-c1ccccc1 4892368 PVDKQFBRJFNBLM-UHFFFAOYSA-N 213.236 2.954 0 40 BFAB COc1cccc([C@@H]2CC(=O)c3cccn32)c1 5834804 PXNKOVHOTUECSV-ZDUSSCGKSA-N 227.263 2.673 0 40 BFAB C=COCCc1c(C)nn(-c2ccccc2)c1O 10157317 OXRUZCVFNRIMAG-UHFFFAOYSA-N 244.294 2.589 0 40 BFAB CCC(=O)Nc1ccc(N2CCCC2)cc1 10429496 FTWLMULPFJATSX-UHFFFAOYSA-N 218.300 2.635 0 40 BFAB CC(C)c1ccc(N(C)CCC(=O)O)cc1 20133748 AQJVQNZXPMOOBT-UHFFFAOYSA-N 221.300 2.721 0 40 BFAB Cc1cc(Cl)nc(N2CCC(C)CC2)n1 22073606 USAUFEQJVCOODJ-UHFFFAOYSA-N 225.723 2.675 0 40 BFAB C[C@H](NC(=O)[C@H]1CC=CCC1)c1ccccn1 28780634 FCBQPQAKQOKQMW-RYUDHWBXSA-N 230.311 2.615 0 40 BFAB O=C(C[C@@H]1C=CCC1)N1CCCCCC1 32747665 JEWPZPOYDLMPEP-GFCCVEGCSA-N 207.317 2.745 0 40 BFAB CCOC(=O)c1nc(-c2ccccc2F)[nH]c1C 35320716 NUOBPLSDQAHZOR-UHFFFAOYSA-N 248.257 2.701 0 40 BFAB CC(C)CCNC(=O)c1cccc2c1ccn2C 36369988 RNQKJMSZLYIHDQ-UHFFFAOYSA-N 244.338 2.954 0 40 BFAB biogenic CCc1c(-c2ccccc2C)n[nH]c1N 36916180 WKBUUIRKHQXNLF-UHFFFAOYSA-N 201.273 2.530 0 40 BFAB CCCn1c(CN)nc2cc(Cl)ccc21 37440500 IMBBYJUTGIEPGF-UHFFFAOYSA-N 223.707 2.558 0 40 BFAB CCc1c(-c2ccc(C)cc2)noc1N 37507715 SFJIPDCMBRSBIY-UHFFFAOYSA-N 202.257 2.795 0 40 BFAB N[C@H]1CCCc2cc(OC(F)F)ccc21 39947654 FGDTVOVCPPLKHK-JTQLQIEISA-N 213.227 2.624 0 40 BFAB in-vitro CCCCC[C@H](C)N[C@@H]1CCCC[C@@H]1O 42237329 DBCDDGLDBZLTNI-XQQFMLRXSA-N 213.365 2.848 0 40 BFAB NC(=O)c1cccc(OCc2cccc(F)c2)c1 42645466 ZNGXNWPGIHCEIN-UHFFFAOYSA-N 245.253 2.504 0 40 BFAB CCOC(=O)c1ccc(Cl)cc1OC 43503387 ZMNMGBKXKTVUNV-UHFFFAOYSA-N 214.648 2.525 0 40 BFAB Cc1cc(C(=O)N[C@H](C)c2cccs2)no1 43544758 WNWAWOBUZHFYTR-MRVPVSSYSA-N 236.296 2.536 0 40 BFAB COc1ccc(-c2ccncc2)c(C=O)c1 47216589 UKMJHLLIPUEAMW-UHFFFAOYSA-N 213.236 2.570 0 40 BFAB COc1cc2nc(C)c(Cl)nc2cc1OC 52144883 JGUDHAPOBBIRON-UHFFFAOYSA-N 238.674 2.609 0 40 BFAB in-vitro FC(F)(F)c1cccc(N2CCCC2)n1 63507737 VXMBJBIQNQPWPT-UHFFFAOYSA-N 216.206 2.701 0 40 BFAB CNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl 71895988 QSSKDZHXZOHFBL-JGVFFNPUSA-N 244.121 2.843 0 40 BFAB CCC(=O)c1ccc(NC(C)(C)C)nc1 72225827 UTYABRYOLJMKPC-UHFFFAOYSA-N 206.289 2.885 0 40 BFAB CN(C(=O)C1C(C)(C)C1(C)C)c1ccccn1 74806082 XRLKZQAXCYEJQF-UHFFFAOYSA-N 232.327 2.727 0 40 BFAB O=C(NCCc1ccoc1)c1ccccc1Cl 90607375 UAZSTNHQMGGMBO-UHFFFAOYSA-N 249.697 2.906 0 40 BFAB CCSCC[C@@H](C)NC(=O)[C@@H]1CC=CCC1 96433116 QIJKUKCYBMTISV-VXGBXAGGSA-N 241.400 2.991 0 40 BFAB COc1ccc(C)nc1NC(=O)C[C@H]1C=CCC1 96445660 XRSWDBNAODVZQX-NSHDSACASA-N 246.310 2.693 0 40 BFAB COc1cccc(Cn2ccc(C3CC3)n2)c1 97046868 LTDITIPXHGDITO-UHFFFAOYSA-N 228.295 2.817 0 40 BFAB COC(=O)c1cc(C)c(Cl)cc1F 148599602 VNNRBWPLOPSDRM-UHFFFAOYSA-N 202.612 2.574 0 40 BFAB in-vitro CCn1nc(C)c(CNc2ncccc2C)c1C 195562781 MVJVKAHFAMCCPQ-UHFFFAOYSA-N 244.342 2.835 0 40 BFAB NCCO[C@H](c1ccccc1)C1CCC1 217690380 GXKLAOMUSWNUEP-CYBMUJFWSA-N 205.301 2.503 0 40 BFAB CO[C@H](Cc1cccc(Cl)c1Cl)C(=O)O 225084086 MUDJOGSNCLWTTQ-MRVPVSSYSA-N 249.093 2.636 0 40 BFAB CCCNC(=O)c1ccc2oc(Cl)nc2c1 225973543 ILCDUEWJVYOSOP-UHFFFAOYSA-N 238.674 2.621 0 40 BFAB O=C(c1cc(Cl)cnc1Cl)C1CC1 242547861 KWUJMWBSVPSWKF-UHFFFAOYSA-N 216.067 2.981 0 40 BFAB O=C(O)c1ccc(Cc2cccc(F)c2)nc1 257198082 SCCCGLFFJPULHD-UHFFFAOYSA-N 231.226 2.510 0 40 BFAB Cn1c2cc(F)ccc2c2ncnc(Cl)c21 408712438 DGRMTHUFQJYZKT-UHFFFAOYSA-N 235.649 2.914 0 40 BFAB O=C(NCc1ccc(-c2ccco2)o1)C1CC1 575604623 AVMJDASXBVCNHT-UHFFFAOYSA-N 231.251 2.566 0 40 BFAB CCC(=O)Nc1cccc(N(CC)CC)c1 3199644 WEAJAFRCXNDNBY-UHFFFAOYSA-N 220.316 2.881 0 40 BFAB O=C(CN1CCCC1)c1ccccc1Cl 3306958 BDGKBEOKGJRBPL-UHFFFAOYSA-N 223.703 2.619 0 40 BFAB O=C1OC(c2ccccc2)=N/C1=C\c1ccco1 4709175 QJBMVCDGBSYRJD-XFXZXTDPSA-N 239.230 2.624 0 40 BFAB Cc1ccc(OC[C@@H]2CCCNC2)c(C)c1 14631179 YPSATXYLWWLTOL-CYBMUJFWSA-N 219.328 2.682 0 40 BFAB COc1ccc(CN[C@H](C)C(C)C)cc1 19909129 JXGDBUMXOHULJP-LLVKDONJSA-N 207.317 2.829 0 40 BFAB NCCn1c(-c2ccccc2)nc2ccccc21 20223156 MCJQNLNFBQEOOU-UHFFFAOYSA-N 237.306 2.662 0 40 BFAB COc1cc([C@@H](C)N)ccc1OC(C)C 22173916 NRBXQSDGZCXNRK-SECBINFHSA-N 209.289 2.502 0 40 BFAB CC(C)CN(C(=O)Nc1cccnc1)C1CC1 32779609 PZUYFWJFAHWEQR-UHFFFAOYSA-N 233.315 2.734 0 40 BFAB CCCCNC(=S)N(C)C1CCCCC1 35585885 UCTLSDKULNFPJA-UHFFFAOYSA-N 228.405 2.926 0 40 BFAB c1cc2sccc2c(NC[C@H]2CCCO2)n1 35687742 PRHOVMHSHJBGHT-SECBINFHSA-N 234.324 2.887 0 40 BFAB Nc1cnc(Br)c2ccccc12 39119826 AHFWGWAQOVJQLZ-UHFFFAOYSA-N 223.073 2.580 0 40 BFAB in-vitro Nc1ccc([C@@H]2OCCc3ccccc32)cc1 39345812 MULCWBNXWABNJA-HNNXBMFYSA-N 225.291 2.931 0 40 BFAB in-vitro Cc1cc(Br)cnc1NC(C)C 42783855 UBTGFSNUUQKKAY-UHFFFAOYSA-N 229.121 2.973 0 40 BFAB Cc1c(C)c(C)c(CC(=O)O)c(C)c1C 43502624 QTLUOJYCCCQCKY-UHFFFAOYSA-N 206.285 2.856 0 40 BFAB COC(=O)[C@@H]1CCCCN1Cc1ccccc1C 48251546 BAEPSUXSKFEFRB-AWEZNQCLSA-N 247.338 2.523 0 40 BFAB CC[C@H](N)c1ccc2c(c1)CC(C)(C)O2 51754793 AUGIXWNILBBZFR-NSHDSACASA-N 205.301 2.810 0 40 BFAB in-vitro O[C@@H](c1cnc2ccccc2c1)C(F)(F)F 61893932 JOIVPPLBXREBDQ-JTQLQIEISA-N 227.185 2.831 0 40 BFAB CCCOCC(=O)N(C)c1ccc(C)cc1C 65556255 IFBJIGLQVVEAID-UHFFFAOYSA-N 235.327 2.693 0 40 BFAB CN1CCC[C@@H]1c1ccc(NC2CCC2)nc1 72213823 XXEPXCHQTSGIIJ-CYBMUJFWSA-N 231.343 2.813 0 40 BFAB CCC(=O)Nc1ccc(-c2nnc(CC)o2)cc1 72304686 BSSOKPMLTRNVBE-UHFFFAOYSA-N 245.282 2.648 0 40 BFAB c1cc(Nc2nccs2)nc([C@@H]2CCCN2)c1 72376488 FPVBOQXCTGMMPF-VIFPVBQESA-N 246.339 2.706 0 40 BFAB NCC1(c2cccc(F)c2F)CCCC1 75932653 OHHYGCQTASTKJA-UHFFFAOYSA-N 211.255 2.735 0 40 BFAB COCSc1nc2cc(F)c(F)cc2[nH]1 79001660 LNZXUHKGVZHCCB-UHFFFAOYSA-N 230.239 2.537 0 40 BFAB CC[C@@H](c1ccccc1)N(CCO)C1CC1 79421155 GGSPMMIVUKYXFJ-AWEZNQCLSA-N 219.328 2.594 0 40 BFAB CCOCC1CCN(Cc2ccsc2)CC1 93394472 KKXCPRJNTDFFOR-UHFFFAOYSA-N 239.384 2.997 0 40 BFAB CC(C)N1CCC(C2CCOCC2)CC1 95434326 CDXBMSRFXJHVPP-UHFFFAOYSA-N 211.349 2.533 0 40 BFAB C[C@](O)(CNC/C=C/c1ccco1)C1CCCC1 96485902 DBLSRLYBQVYYAJ-LWUPOJRFSA-N 249.354 2.824 0 40 BFAB Nc1ccc(-c2cccnc2)nc1C(F)F 96529382 XXCFJYLPDWWFQS-UHFFFAOYSA-N 221.210 2.663 0 40 BFAB CC(C)(C)Oc1c(F)cc(NC(N)=O)cc1F 97083155 PLASANCSICQYLB-UHFFFAOYSA-N 244.241 2.633 0 40 BFAB CCOC(=N)CC(=O)Nc1ccccc1CC 102968328 VCOMXDRSGCKXES-UHFFFAOYSA-N 234.299 2.591 0 40 BFAB O=C(OCc1ccccc1)[C@H]1C[C@H]2C=C[C@H]1C2 103419954 OYGJCQBQTZZCQO-IHRRRGAJSA-N 228.291 2.942 0 40 BFAB CC(=O)N[C@@]1(C)[C@@H]2CC[C@]3(C)N=C(C)[C@@H]1C[C@H]3C2 104124060 QAZDHIAODBUACH-MRLBHPIUSA-N 248.370 2.551 0 40 BFAB CCOC(=O)C/C=C/c1ccccc1C 216606659 UQBWBBNLJAJPJZ-RMKNXTFCSA-N 204.269 2.961 0 40 BFAB CCOc1ccccc1CCCNC(=O)C1CC1 225383182 NTSYWMQZWPZHNB-UHFFFAOYSA-N 247.338 2.544 0 40 BFAB CC[C@@H]1CN(CC(=O)O)CC[C@@H]1c1ccccc1 225453905 HQJYPIKIQDVROW-OCCSQVGLSA-N 247.338 2.587 0 40 BFAB Cc1cc(NCc2cc(F)ccc2F)n(C)n1 237752044 CRFANPWCTPMBKN-UHFFFAOYSA-N 237.253 2.619 0 40 BFAB O=C(c1ccncc1F)N1CCC(=C2CC2)CC1 238915155 SLYMVDZVIIEVOP-UHFFFAOYSA-N 246.285 2.547 0 40 BFAB CC(C)[C@H](N)c1cnc2c(c1)CCCC2 252492397 MKYZRURUYAQEEQ-ZDUSSCGKSA-N 204.317 2.616 0 40 BFAB Cc1cccnc1OCC1CC(F)(F)C1 585654669 KKLMDMHABVDCKU-UHFFFAOYSA-N 213.227 2.814 0 40 BFAB Cc1ccc(NC(=O)Cc2cccs2)cc1O 365430 ZZQIANSJNXDTRZ-UHFFFAOYSA-N 247.319 2.943 0 40 BFAB CCOCCOc1ccc2ccccc2n1 4002228 PEULSYWBXYNLPO-UHFFFAOYSA-N 217.268 2.650 0 40 BFAB N[C@@H](COC(=O)c1ccccc1)c1ccccc1 5604340 JBNGFPIHGVZGFZ-AWEZNQCLSA-N 241.290 2.543 0 40 BFAB COc1c(C(=O)O)sc2ccccc12 5732334 AFQQPJAVPVTBMW-UHFFFAOYSA-N 208.238 2.608 0 40 BFAB CC[C@H](N[C@@H]1C(C)=Cc2ccccc21)C(=O)O 8730602 TZYIAZFUWMZFBD-QWHCGFSZSA-N 231.295 2.597 0 40 BFAB COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@@H]1C 9647622 SINRAOCJXRTBQW-CBAPKCEASA-N 239.702 2.943 0 40 BFAB C[C@@H]1CCC[C@@H](NC(=O)c2cccnc2)[C@@H]1C 9969958 UYTYXXIMPJCQLO-NQBHXWOUSA-N 232.327 2.636 0 40 BFAB O=C(CCc1ccccc1O)NC1CCCCC1 12881266 YVCIDNUCYKZNRY-UHFFFAOYSA-N 247.338 2.774 0 40 BFAB c1cnc(N[C@@H]2CCc3ccccc32)nc1 12981291 KVTNCSWPXHVLLC-GFCCVEGCSA-N 211.268 2.576 0 40 BFAB Nc1cc(C(F)(F)F)ccc1OCC(F)F 20352073 GZKJIJGPUYSLBO-UHFFFAOYSA-N 241.159 2.932 0 40 BFAB COc1cccc([C@@H]2CC(O)=Nc3n[nH]cc32)c1 20731091 GBGKEWVMWRRXFB-JTQLQIEISA-N 243.266 2.542 0 40 BFAB Cc1ccc(C)c(NC(=O)[C@@H](C)n2cccn2)c1 24751542 NMRHPFXSQFXZOD-GFCCVEGCSA-N 243.310 2.700 0 40 BFAB Cc1ccc(Sc2cc(C)nc(N)n2)cc1 24971182 BHJWFZHQWLVKRH-UHFFFAOYSA-N 231.324 2.827 0 40 BFAB CS[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1 31674100 CYAMREBAUKRYEM-VIFPVBQESA-N 237.324 2.579 0 40 BFAB Cc1ccc(-n2nc(C)c(C(=O)O)c2C)cc1C 32101687 MEBWTFWJIFVGIW-UHFFFAOYSA-N 244.294 2.804 0 40 BFAB C=CC(=O)OC1C2CC3CC(C2)CC1C3 34455481 NCJGJDNWSHATQH-UHFFFAOYSA-N 206.285 2.540 0 40 BFAB Cc1nc(-c2ccc(Br)cc2)n[nH]1 34978989 OWYRSIQJIFJFIV-UHFFFAOYSA-N 238.088 2.543 0 40 BFAB CCOC(=O)c1nc(-c2ccc(F)cc2)[nH]c1C 35320760 JRYVVDDXLQJBRF-UHFFFAOYSA-N 248.257 2.701 0 40 BFAB C[C@H](Nc1ncnc2ccccc12)[C@@H]1CCCO1 37493047 QORNVGIUSDIGEH-GWCFXTLKSA-N 243.310 2.609 0 40 BFAB O=C(NCCc1cccs1)NC1CCCC1 40024086 VIILXCBIAKKQBG-UHFFFAOYSA-N 238.356 2.532 0 40 BFAB COc1cccc(COCCC2CCNCC2)c1 42773979 XMFDMJHJFXONMX-UHFFFAOYSA-N 249.354 2.602 0 40 BFAB CC[C@H](C)C(=O)NCCc1ccc(F)cc1 44895786 JWDRXPHFNXBGCV-JTQLQIEISA-N 223.291 2.531 0 40 BFAB Cc1cc(CN(C)[C@@H](C)CC(C)C)no1 45769947 PQNOORAAYDKZDO-JTQLQIEISA-N 210.321 2.849 0 40 BFAB Oc1ccc(-c2cccnc2)c(C(F)(F)F)n1 47213827 OHBKPEJGJVBILN-UHFFFAOYSA-N 240.184 2.868 0 40 BFAB CC[C@H]1CCCN(Cc2nc(C(C)C)no2)C1 48058756 YIPLJSUKJYBWOC-NSHDSACASA-N 237.347 2.815 0 40 BFAB CSc1nc(N)cc(Nc2cccc(C)c2)n1 49467347 UKJZFQNCFANXFP-UHFFFAOYSA-N 246.339 2.833 0 40 BFAB COc1c(N)cc(-c2ccccc2)cc1C(=O)O 57339870 KHHLAJYWNVPMEB-UHFFFAOYSA-N 243.262 2.643 0 40 BFAB CC[C@H](C)N(C)CC(=O)Nc1c(C)cccc1C 60575171 YUCPYQMGEMACHM-ZDUSSCGKSA-N 248.370 2.972 0 40 BFAB CCN(CC)c1ccc([C@@H]2C[C@@H]2C(=O)O)cc1 62494903 NJIHMBLXLQEENL-STQMWFEESA-N 233.311 2.721 0 40 BFAB C[C@@H](O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl 62713893 VQOQDOFTPMLQDE-CSMHCCOUSA-N 214.667 2.963 0 40 BFAB C[C@@H]1C[C@H]1c1ccc(CCC(=O)N(C)C2CC2)o1 65516648 JSBSTHQIWUGXDZ-ZWNOBZJWSA-N 247.338 2.956 0 40 BFAB COC(=O)c1cccc2nc(Cl)ccc12 68590144 KDYIUQAXLBVZEE-UHFFFAOYSA-N 221.643 2.675 0 40 BFAB in-vitro CCSc1ccc([C@@H]2CCCN2)cn1 72217103 RZKZJIGGMRSPPX-JTQLQIEISA-N 208.330 2.618 0 40 BFAB CNc1ncc([C@H]2CCCN2C(C)C)cc1C 72218980 MWBAQYPQKMEVOM-CYBMUJFWSA-N 233.359 2.977 0 40 BFAB CCN(CC)C(=O)c1cc(OC)c2ccoc2c1 72240060 GECZEVPGZBTWOL-UHFFFAOYSA-N 247.294 2.923 0 40 BFAB O=C(O)[C@@H]1CCCc2nc(-c3ccccc3)cn21 75923252 YCXDBCQHYQKZAD-LBPRGKRZSA-N 242.278 2.512 0 40 BFAB CC(C)Cc1nnc(-c2cccc(N)c2)o1 83349044 DODHOYFYPDGKNZ-UHFFFAOYSA-N 217.272 2.517 0 40 BFAB C[C@@H](N)COCc1c(Cl)cccc1Cl 89262671 ITDMYLZXZAMSME-SSDOTTSWSA-N 234.126 2.857 0 40 BFAB CCO[C@H](C)c1noc([C@@H]2CC=CCC2)n1 89984967 QAWWRYOGDJCVOJ-NXEZZACHSA-N 222.288 2.991 0 40 BFAB COC(=O)c1nc(Nc2ccccc2)sc1C 95471970 FCDAMKDGXRRXMU-UHFFFAOYSA-N 248.307 2.982 0 40 BFAB C1CCN[C@H](c2noc(C3CCC3)n2)CC1 96001577 UURNWOATZRSETM-JTQLQIEISA-N 221.304 2.542 0 40 BFAB Cc1ccc(CC(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)cc1 101697540 FTSLGXCELCPDCE-KFWWJZLASA-N 243.350 2.842 0 40 BFAB COc1ccc(OC)c2c1[C@H]1[C@@H]3C=C[C@@H]3[C@@H]3[C@@H]2[C@@H]13 104286223 HAIGLKKQMUZVAS-ODXZYQMESA-N 240.302 2.946 0 40 BFAB COC(=O)[C@@H]1C[C@H]1C(=O)c1ccc(C(C)C)cc1 217817882 YBRJPDJVOUJTEN-CHWSQXEVSA-N 246.306 2.802 0 40 BFAB COC(=O)c1[nH]c2cc(C(C)(C)C)ccc2c1N 408712493 UXYPCPZADWSKEX-UHFFFAOYSA-N 246.310 2.834 0 40 BFAB CC[C@H](C)OCc1ccn(CC(C)C)n1 408715152 CDOUZNWHUCONCE-NSHDSACASA-N 210.321 2.854 0 40 BFAB CC(C)[C@@H](C)[C@H](C(=O)O)C1(O)CCCCC1 1593061 XVDPCTZQBOQBKK-GHMZBOCLSA-N 228.332 2.675 0 40 BFAB CCO[C@H](C)Oc1ccc(CCC(C)=O)cc1 1672366 WOHZHDVKCSGTFE-LBPRGKRZSA-N 236.311 2.970 0 40 BFAB COc1ccccc1-c1csc([C@H](C)N)n1 3708670 QRHIXLMWXPHWMA-QMMMGPOBSA-N 234.324 2.838 0 40 BFAB CC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 4656418 ZAVMWAWMPKJBLG-SNVBAGLBSA-N 217.312 2.763 0 40 BFAB Cc1cc(C)cc(Cc2cnc(N)s2)c1 7278078 XBNPLUCUOKGEDX-UHFFFAOYSA-N 218.325 2.933 0 40 BFAB CC(=O)c1ccc(C(=O)Nc2ccncc2)s1 12642735 WBPCKWQXRDWOBC-UHFFFAOYSA-N 246.291 2.598 0 40 BFAB Cc1cccc(OCc2ccc(C(N)=O)cc2)c1 12982006 YIDQTELFGRYSEX-UHFFFAOYSA-N 241.290 2.673 0 40 BFAB CCN(CC)C(=O)[C@@H](C)Oc1cc(C)ccc1C 13710131 BSYWVPVSAUKTRX-CYBMUJFWSA-N 249.354 2.939 0 40 BFAB O=S(=O)(Nc1cccc(F)c1)C1CCCC1 19075046 SOFNIIBEKKIUCF-UHFFFAOYSA-N 243.303 2.510 0 40 BFAB C[C@@H](N)Cc1c(Cl)cccc1Cl 19403430 FAYVXOYNOTWBLV-ZCFIWIBFSA-N 204.100 2.883 0 40 BFAB in-vitro CN(C)[C@@H](CN)c1cccc(Cl)c1Cl 19472883 OIRCTAUSZLSIFJ-VIFPVBQESA-N 233.142 2.555 0 40 BFAB COc1cccc(CNc2cccnc2)c1 19884125 SJDBBULMSFSKQX-UHFFFAOYSA-N 214.268 2.702 0 40 BFAB NCCCc1c[nH]c2cccc(Cl)c12 20269189 LQQUTZIGRPOALG-UHFFFAOYSA-N 208.692 2.713 0 40 BFAB N[C@H](c1cccnc1)c1cc2ccccc2o1 20592715 BIQHNLUUSFOCKK-CQSZACIVSA-N 224.263 2.876 0 40 BFAB C[C@@H](NC(=O)c1ccncc1)c1cccs1 21905690 BNGMQYQKCBFVDX-SECBINFHSA-N 232.308 2.634 0 40 BFAB NCc1ccc(COc2cccc(F)c2)cc1 22168095 NHXGDAGWWZTMFR-UHFFFAOYSA-N 231.270 2.863 0 40 BFAB CCC(=O)N1CCO[C@@H](c2ccc(CC)cc2)C1 41380457 ZQPHTOHYSCGCLY-CQSZACIVSA-N 247.338 2.559 0 40 BFAB Fc1ccccc1COCCC1CCNCC1 42771782 KOQPKBPHMVEDMJ-UHFFFAOYSA-N 237.318 2.732 0 40 BFAB in-vitro CC(C)c1ccc(CO[C@@H]2CCNC2)cc1 42776024 MCQPJJKRAGLBGO-CQSZACIVSA-N 219.328 2.689 0 40 BFAB CC(C)CNC(=O)Cc1csc(C(C)C)n1 42814338 XJOWAKSRXVBNPT-UHFFFAOYSA-N 240.372 2.581 0 40 BFAB Cc1cc(NCc2ccccc2Cl)nc(N)n1 43532075 MGJJOAQCQIPYNT-UHFFFAOYSA-N 248.717 2.633 0 40 BFAB CNC(=O)N[C@@H](c1cccs1)C1CCCC1 47717776 VTHUDOSTVQTQSF-LLVKDONJSA-N 238.356 2.908 0 40 BFAB CCNC(=O)C[C@H](C)CCc1ccccc1 63575547 RONHWNZQWPSGKY-GFCCVEGCSA-N 219.328 2.782 0 40 BFAB Cc1cc(C(=O)CN2CCCCC2)cc(C)c1O 71289244 ZPLAVZIYVWQJAQ-UHFFFAOYSA-N 247.338 2.678 0 40 BFAB COc1cccc(C[C@H](C)NCC(C)C)c1 71444443 MWKNKKGVMCKTAJ-LBPRGKRZSA-N 221.344 2.872 0 40 BFAB CCC(=O)Nc1ncc(Br)cc1C 71498967 IGXPJZJSCHEJFG-UHFFFAOYSA-N 243.104 2.501 0 40 BFAB C[C@@H](NC(=O)c1ccc2c(c1)OCO2)C(C)(C)C 71900034 OEZPGJQCHBJWNB-SECBINFHSA-N 249.310 2.580 0 40 BFAB C1=C[C@@H](Sc2ncnc3nc[nH]c23)CCC1 71910984 DPABBAXHFFWIPI-MRVPVSSYSA-N 232.312 2.554 0 40 BFAB CC(=O)N1CCC[C@@H]1c1c[nH]c(=S)c(C)c1 72218254 QZPJCKOZRWZZMC-LLVKDONJSA-N 236.340 2.736 0 40 BFAB Cc1cc(C2=NCCC2)cnc1N1CCCCC1 72219141 VAOZRZVNVMRPLW-UHFFFAOYSA-N 243.354 2.963 0 40 BFAB CC(C)NCc1cc(-c2cccs2)nn1C 72226267 QNFJYRHPZOPNTA-UHFFFAOYSA-N 235.356 2.647 0 40 BFAB c1cc(C[C@H]2CCCNC2)c2cccnc2c1 72367582 BREMYRXNVIZJKS-GFCCVEGCSA-N 226.323 2.777 0 40 BFAB Nc1ccncc1Nc1ccc(F)cc1 75603164 MYHWWRRQMWGHJI-UHFFFAOYSA-N 203.220 2.547 0 40 BFAB O=C(c1ccoc1)N1CCC(C(F)(F)F)CC1 81312894 PBMWXDLKSUWKJV-UHFFFAOYSA-N 247.216 2.694 0 40 BFAB Fc1ccc(S)c(CN2CCCC2)c1 95738964 FMUYBNMCPJGENT-UHFFFAOYSA-N 211.305 2.710 0 40 BFAB C[C@@H](c1cccc(O)c1)N(C)Cc1ccccn1 96424208 BNYSEXLPMOGUIL-LBPRGKRZSA-N 242.322 2.980 0 40 BFAB Cc1cc(C)n(-c2cccc(C(F)(F)F)n2)n1 113594347 IGEWDULPSQBJGY-UHFFFAOYSA-N 241.216 2.903 0 40 BFAB COc1cc(N)ccc1N1C[C@@H](C)C[C@@H](C)C1 216767623 DISYUOVJHSNSOW-PHIMTYICSA-N 234.343 2.760 0 40 BFAB Cc1cc(C)c(C(=O)NCC(C)C)cc1C 225637837 MWWJTTFZPUPWIB-UHFFFAOYSA-N 219.328 2.998 0 40 BFAB CN(C)c1ccccc1C(=O)C(F)(F)Cl 379809254 YXKSPOBPWSSONH-UHFFFAOYSA-N 233.645 2.767 0 40 BFAB CCC(=O)NC(=S)Nc1cc(C)ccc1C 341959 IAUIIUFYVFJQAL-UHFFFAOYSA-N 236.340 2.526 0 40 BFAB COc1ccc(CNCCCSC)cc1 1576401 JQUANMAUEHVVHG-UHFFFAOYSA-N 225.357 2.538 0 40 BFAB Cc1ccc[n+](Cc2ccccc2Cl)c1 1585443 MHBMCYPNOQAKKL-UHFFFAOYSA-N 218.707 2.984 0 40 BFAB CCOCCOC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C 1719041 DQVVDRPUOJAUTM-NWDGAFQWSA-N 240.343 2.805 0 40 BFAB COc1ccc([C@@H]2NCCc3ccccc32)cc1 2391832 FSFZUYODRIULLG-INIZCTEOSA-N 239.318 2.930 0 40 BFAB CC(=O)Nc1ccc2c(c1)C(C)(C)[C@@H](C)N2C 3165000 BVRISEIGABVOQV-SECBINFHSA-N 232.327 2.761 0 40 BFAB Cc1cc(=O)cc(C)n1-c1ccc(F)cc1F 3180208 UVEOQBGKTXDWLL-UHFFFAOYSA-N 235.233 2.733 0 40 BFAB COc1cc(O)c2c(c1)CCC21CCC(O)CC1 3647987 ZFFYHYZOCYEEPL-UHFFFAOYSA-N 248.322 2.520 0 40 BFAB biogenic C/C=C/C=C1\N=C(c2cccs2)OC1=O 13930821 RYMWFUCBLUBIRM-FBRVOWQISA-N 219.265 2.512 0 40 BFAB CC[C@](C)(O)CCCCC[C@H]1C=CC(=O)O1 14490830 SYVFGLXUEAXFAP-AAEUAGOBSA-N 226.316 2.580 0 40 BFAB biogenic,in-vitro COc1cccc2c1CCN[C@@H]2c1ccccc1 19625477 OGUQFAQOSUIREV-MRXNPFEDSA-N 239.318 2.930 0 40 BFAB COCCN[C@@H](C)c1ccc(C)cc1C 19881587 NOQFRBFZBNLQFQ-LBPRGKRZSA-N 207.317 2.600 0 40 BFAB CCC(CC)NCc1ccc(OC)cc1 19909075 YLGLXKVGGVWVGB-UHFFFAOYSA-N 207.317 2.973 0 40 BFAB Cc1cc(NCc2cc(F)cc(F)c2)nn1C 20350335 PPYWYSUTZBRVGS-UHFFFAOYSA-N 237.253 2.619 0 40 BFAB COc1cccc(OC)c1-c1cncc(C=O)c1 20443331 VTAFCYAGJSSJOC-UHFFFAOYSA-N 243.262 2.578 0 40 BFAB COc1ccccc1-n1cc[nH]c1=S 26422921 MCLBGTWTHLDXJM-UHFFFAOYSA-N 206.270 2.543 0 40 BFAB c1cnc2c(NC3CCCCCC3)ncnc2n1 27817877 XVOOPCABWRVEJD-UHFFFAOYSA-N 243.314 2.555 0 40 BFAB COc1ccc(-c2nc3ncccc3o2)cc1 28814893 CCKOIWFYUDOXCK-UHFFFAOYSA-N 226.235 2.898 0 40 BFAB CCn1nc(C)cc1NC(=O)CC(C)(C)C 32648592 KIGKZVWSQBSATR-UHFFFAOYSA-N 223.320 2.586 0 40 BFAB C[C@@H]1C[C@@H](C)CN(C(=O)CCc2ccco2)C1 32873684 ACKOZZGUJBSBOI-VXGBXAGGSA-N 235.327 2.717 0 40 BFAB CSc1ccc(Cn2ccnc2)cc1 40477626 GIHFZRQNKIIQJG-UHFFFAOYSA-N 204.298 2.653 0 40 BFAB NCCCc1csc(-c2cccs2)n1 41244835 DOKVBZRGZYXUDC-UHFFFAOYSA-N 224.354 2.763 0 40 BFAB COCC(=O)Cc1ccc(C(C)(C)C)cc1 43504709 YQXXCTILZOCKEH-UHFFFAOYSA-N 220.312 2.742 0 40 BFAB Fc1cc(CNC2CC2)ccc1Br 43576931 SKSSPPSSUUKHQI-UHFFFAOYSA-N 244.107 2.840 0 40 BFAB c1ccc(CNc2cnnc3ccccc23)nc1 46087270 LTOQHDPWQVHEHY-UHFFFAOYSA-N 236.278 2.637 0 40 BFAB O[C@H](c1ccccc1)c1ccc(Cl)nc1 59189755 XODIEOAQUIXWST-GFCCVEGCSA-N 219.671 2.817 0 40 BFAB CC(C)CN1CCCC[C@H]1c1cccnc1N 72212439 CNIKTXWPCQHJFY-ZDUSSCGKSA-N 233.359 2.847 0 40 BFAB O[C@@H](c1ccsc1)c1ccc2c(c1)OCO2 83447961 FFUSCGIXDVLJRI-GFCCVEGCSA-N 234.276 2.559 0 40 BFAB CC(C)Oc1cccc([C@H](O)C(F)F)c1 87686858 MJTUECLYWUNXSN-JTQLQIEISA-N 216.227 2.772 0 40 BFAB in-vitro N[C@H](CSC(F)(F)F)Cc1ccccc1 91252828 XCEYQFRSOMOEFE-VIFPVBQESA-N 235.274 2.809 0 40 BFAB CCCOc1cc(C(C)=O)cc(F)c1F 95732348 KWBJQFYRNHIPFD-UHFFFAOYSA-N 214.211 2.956 0 40 BFAB CCO/C=C/C(=S)Nc1ccccc1 96171627 LOCBTHYSTJKLBE-CMDGGOBGSA-N 207.298 2.976 0 40 BFAB C[C@H](CCn1cccn1)NC1CCCCC1 97234077 GLATZSWIPWBSEJ-GFCCVEGCSA-N 221.348 2.584 0 40 BFAB O=C(NCc1ccco1)C1CCC(F)(F)CC1 121326490 FDRGZSFTNNXDQR-UHFFFAOYSA-N 243.253 2.721 0 40 BFAB CC[C@H](C)[C@H](C)Nc1ccc(C)c(C(N)=O)c1 183118589 VILPLOQHVAMABN-ONGXEEELSA-N 234.343 2.940 0 40 BFAB CCCN(c1ccc(C)cc1C)[C@@H](C)C(=O)O 224982547 FOKPDBBZRUOGCC-LBPRGKRZSA-N 235.327 2.993 0 40 BFAB CCn1c(C)ccc1CNC1CCCC1 226019189 YGFQXONMMKFHOM-UHFFFAOYSA-N 206.333 2.849 0 40 BFAB Cc1nc(-c2ccco2)ccc1C(=O)NC(C)C 257173568 QXWWWYNFIZMGOU-UHFFFAOYSA-N 244.294 2.788 0 40 BFAB O=C(c1ccc2cnccc2c1)C(F)(F)F 328265318 VXHLIMMQUADOHV-UHFFFAOYSA-N 225.169 2.980 0 40 BFAB CC[C@H](Cl)C(=O)c1cccc(F)c1C#N 389412135 QIULLOAXBYRANE-VIFPVBQESA-N 225.650 2.897 0 40 BFAB CCOC(=O)c1ccc(C(=O)[C@@H](C)CC)o1 390243197 IIARTPRGZBYMBO-QMMMGPOBSA-N 224.256 2.685 0 40 BFAB Oc1ccc2c(c1)O[C@@H](C(F)(F)F)CC2 1888843086 DUGDTMVYPICSHN-SECBINFHSA-N 218.174 2.648 0 40 BFAB Fc1ccc(CN[C@H]2CCC[C@@H]2F)c(F)c1 1888849993 HGQNTYXSZPBTPL-JQWIXIFHSA-N 229.245 2.945 0 40 BFAB C[C@H]1CC(C)(C)N(C=O)c2ccccc21 270696 VYMRKPSUCXMRGB-JTQLQIEISA-N 203.285 2.935 0 40 BFAB biogenic CNC(=O)OC(C)(C)[C@@H]1CC=C(C)CC1 2048404 SVCWPSWTLKIBPU-SNVBAGLBSA-N 211.305 2.867 0 40 BFAB O=C(Cc1ccccc1)c1cc(F)ccc1O 2243273 UJPHDMQSTCOYTM-UHFFFAOYSA-N 230.238 2.957 0 40 BFAB Clc1ccc(CC2OCCO2)c(Cl)c1 2529054 MQYHTKTVUAVEHE-UHFFFAOYSA-N 233.094 2.909 0 40 BFAB COc1ccccc1[C@H](O)c1ccccc1 4072010 FYFYNXNAKOEXDV-CQSZACIVSA-N 214.264 2.777 0 40 BFAB CC1(C)CC(=O)c2c([nH]c3ccccc3c2=O)C1 5190965 FHKFWVXEAITYEN-UHFFFAOYSA-N 241.290 2.683 0 40 BFAB COc1ccccc1C(=O)N1CCC(C)CC1 5427598 JJGVGKONRYWSEW-UHFFFAOYSA-N 233.311 2.567 0 40 BFAB CCc1ccc2c(c1)[C@@H](O)c1ccccc1[C@H]2O 5471556 BCOIBXZDUNKNNS-CVEARBPZSA-N 240.302 2.726 0 40 BFAB CC(C)N1CC[C@@H](OC(=O)Nc2ccccc2)C1 5640981 WNCJMZVHWSLECL-CYBMUJFWSA-N 248.326 2.718 0 40 BFAB Cc1n[n+]2c(O)c(-c3ccccc3)sc2s1 12249839 JMJZYWDLJHETHE-UHFFFAOYSA-O 249.340 2.624 0 40 BFAB C[C@@H](NC(=O)c1cccnc1)c1cccc(F)c1 12932850 BFBXPBLEYCPJIT-SNVBAGLBSA-N 244.269 2.712 0 40 BFAB CCCNC(=O)c1csc(-c2ccccc2)n1 16639808 WCLWCBOILFJLAX-UHFFFAOYSA-N 246.335 2.950 0 40 BFAB Cc1ccc([C@H](O)c2ccc(N)cc2)cc1 19780064 SFRPWYDPVNVNRN-AWEZNQCLSA-N 213.280 2.659 0 40 BFAB CO[C@H](C(=O)N1CCCCCC1)c1ccccc1 20238581 VEIPJCIJWOXLHE-AWEZNQCLSA-N 247.338 2.777 0 40 BFAB O=C(O)/C=C/c1c[nH]c2ccc(Cl)cc12 20269237 ZLICOCANALRYJY-DAFODLJHSA-N 221.643 2.919 0 40 BFAB NCC1(c2c(F)cccc2Cl)CCC1 20429493 XQJMKSODDXXWAT-UHFFFAOYSA-N 213.683 2.860 0 40 BFAB Cc1cc(C(=O)N(C)C2CCCCC2)ccc1N 22211453 RONGKPANIRODFY-UHFFFAOYSA-N 246.354 2.982 0 40 BFAB CC(C)NC(=O)NCCc1cccc(Cl)c1 32862593 ALWSHCBEJJOELF-UHFFFAOYSA-N 240.734 2.590 0 40 BFAB CCCOc1ccc([C@H](C)O)cc1OC 35626616 VNYPUHFTLHYXSR-VIFPVBQESA-N 210.273 2.537 0 40 BFAB Cc1cc(C)cc(C(=O)c2ccccn2)c1 37745989 MINQHLNZZSZGRP-UHFFFAOYSA-N 211.264 2.929 0 40 BFAB C[C@H]1CCCN(Cc2cccc(O)c2)C1 39619532 QVDQDDRCNWEBIU-NSHDSACASA-N 205.301 2.624 0 40 BFAB CCn1ccc(=O)c2cc(Cl)cc(C)c21 40164118 XKVHONDAUWTTQK-UHFFFAOYSA-N 221.687 2.983 0 40 BFAB CC(C)=CC(=O)N(Cc1cccnc1)C1CC1 42604524 KNMHKMFXYJOVSG-UHFFFAOYSA-N 230.311 2.539 0 40 BFAB Cc1onc(-c2c(F)cccc2Cl)c1CN 44248525 FCNQCCIUMUPWQD-UHFFFAOYSA-N 240.665 2.901 0 40 BFAB CN(C[C@@H](O)c1ccc(F)cc1)C1CCCC1 58304650 QPBFAKQOOQDZJO-CQSZACIVSA-N 237.318 2.734 0 40 BFAB Cc1cc(C)n(-c2nc3ccccc3o2)n1 70164760 IMHOKWBUWCIODA-UHFFFAOYSA-N 213.240 2.630 0 40 BFAB Cc1[nH]c(=S)ccc1[C@@H]1CCCCN1C=O 72218412 MEHUXAPSRYGPKF-NSHDSACASA-N 236.340 2.736 0 40 BFAB Cc1ccnc(-c2cc(Cl)ccc2N)n1 82537565 LBUXLMLPIOTNEU-UHFFFAOYSA-N 219.675 2.688 0 40 BFAB CC[C@H]1CC[C@H](C)N1C(=O)NCc1ccco1 95458657 DAVSFYDXHIPHPF-QWRGUYRKSA-N 236.315 2.752 0 40 BFAB CC(=O)Cc1cc(F)c(F)cc1Cl 95913023 WJYDIGOCEHTZQJ-UHFFFAOYSA-N 204.603 2.750 0 40 BFAB CS[C@H]1CCN(C(=O)/C=C/c2ccccc2)C1 96119998 RKQXRSUTVQLTHW-GWJCSSMESA-N 247.363 2.664 0 40 BFAB CSCC[C@@H](C)N(C)c1ncccc1F 96483052 DEAAAQRWAPLADP-SECBINFHSA-N 228.336 2.799 0 40 BFAB COCCN[C@@H](C)c1c(F)cccc1Cl 96492338 JHNSPAFLRWJYHV-QMMMGPOBSA-N 231.698 2.776 0 40 BFAB C[C@H](c1ccccn1)N(C)Cc1ccc(O)cc1 97104731 SRUYJBOJYFGVJP-GFCCVEGCSA-N 242.322 2.980 0 40 BFAB CCCc1nnc(NCc2ccc(CC)o2)o1 97231682 KKRVJGUARDBIEQ-UHFFFAOYSA-N 235.287 2.790 0 40 BFAB Cc1cccc2c1Oc1c(N)cccc1NC2=O 98086472 IKOHHHBLLJNDMU-UHFFFAOYSA-N 240.262 2.935 0 40 BFAB COC(=O)c1cc(Cl)cc(OC)c1Cl 140704661 LXFFJZLHTMOKFP-UHFFFAOYSA-N 235.066 2.789 0 40 BFAB COCc1ccc(CNc2cccc(CO)c2)o1 225601707 WZEWDTRKBMHUSL-UHFFFAOYSA-N 247.294 2.530 0 40 BFAB CCc1ccc(C(=O)OC)n1Cc1ccccc1 226022423 IFBMVDWOMYRGPW-UHFFFAOYSA-N 243.306 2.885 0 40 BFAB CCCCc1ccc(C(=O)OC)n1CC 226026463 LVDVZEXWMRVNOP-UHFFFAOYSA-N 209.289 2.637 0 40 BFAB CCn1ncc(NCc2ccccc2OC)c1C 256050254 DIILRMCIYBRHGJ-UHFFFAOYSA-N 245.326 2.832 0 40 BFAB Cn1cccc1CNCc1ccc(F)s1 256050369 DUCFWTPXOFNMBE-UHFFFAOYSA-N 224.304 2.516 0 40 BFAB Cc1cc(-c2cc([C@@H]3CCCN3C)ccn2)[nH]n1 257269465 MQBCWYOSHAQBEM-AWEZNQCLSA-N 242.326 2.547 0 40 BFAB Fc1ccc(N2CCC(C(F)(F)F)CC2)nc1 288486031 RGWKTWVYUCSKFQ-UHFFFAOYSA-N 248.223 2.999 0 40 BFAB Nc1cc2cc(F)c(Br)cc2cn1 1503915570 GMWNAOAKMROVLA-UHFFFAOYSA-N 241.063 2.719 0 40 BFAB Cc1cnc2ncc(Br)cc2c1 1772717843 VTARNQUPKXGIRV-UHFFFAOYSA-N 223.073 2.701 0 40 BFAB NC(=S)Nc1ccc2c3c(cccc13)CC2 386603 VRJVJRSTJQUELO-UHFFFAOYSA-N 228.320 2.594 0 40 BFAB Cc1cc(Cl)cc2c1O[C@@H](C)OC2=O 1696839 AMXDQGFJOYWGCT-ZCFIWIBFSA-N 212.632 2.544 0 40 BFAB Cc1cc2ccccn2c1C(=O)C(F)(F)F 3193719 BQBFZNVCQSRADE-UHFFFAOYSA-N 227.185 2.993 0 40 BFAB in-vitro c1ccc(CSc2nc3ncccc3[nH]2)nc1 4171454 IRPRSMDDPUGQSC-UHFFFAOYSA-N 242.307 2.645 0 40 BFAB CC(C)(CO)NCc1cccc2ccccc12 4695041 NGRIFPBDNFPRQI-UHFFFAOYSA-N 229.323 2.700 0 40 BFAB O=C1Nc2ccccc2/C1=C\c1ccccn1 4773125 YKQONSWBHGBDSB-FMIVXFBMSA-N 222.247 2.574 0 40 BFAB CCOc1ccc(-c2cc(N)n[nH]2)cc1Cl 5525815 WQGJTORBWZHUSP-UHFFFAOYSA-N 237.690 2.711 0 40 BFAB N=C(N)c1ccc(COCc2ccccc2)cc1 19423498 DMFCCIRTUMFWBF-UHFFFAOYSA-N 240.306 2.687 0 40 BFAB in-vitro Cc1ccc(C(=O)Nc2cccc(CN)c2)cc1 21964273 YKZCQDGPRHPUFN-UHFFFAOYSA-N 240.306 2.706 0 40 BFAB C[C@@H](NC(=O)c1cccnc1)c1ccc(F)cc1 23488975 AHBOZHZHKHFKPU-SNVBAGLBSA-N 244.269 2.712 0 40 BFAB COC(=O)c1c[nH]cc1-c1ccc(Cl)nc1 34521973 XCWCKMISWZGDLW-UHFFFAOYSA-N 236.658 2.517 0 40 BFAB Cc1cc(N)c2oc(-c3ccncc3)nc2c1 41568902 WKSRDYQVHVHHAL-UHFFFAOYSA-N 225.251 2.780 0 40 BFAB Cc1ccc(C(=O)CC(C)(C)C(=O)O)c(C)c1 43214294 UHACVLYTWQGFTE-UHFFFAOYSA-N 234.295 2.987 0 40 BFAB COCC(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 45235308 RLRHMWZXNLKQET-NSHDSACASA-N 249.354 2.808 0 40 BFAB CCc1csc(NC(=O)CC(F)(F)F)n1 69918104 HMGUXPNSTZZFCJ-UHFFFAOYSA-N 238.234 2.596 0 40 BFAB Cc1nc(N2CCc3ccccc32)ccc1C=O 72224974 VJRBUKJKLGAXPI-UHFFFAOYSA-N 238.290 2.897 0 40 BFAB Fc1ccccc1-c1cnc([C@@H]2CCCN2)cn1 72386786 VAUWNETYBIPRTF-LBPRGKRZSA-N 243.285 2.707 0 40 BFAB CC(C)(O)CN1C(=O)c2cccc3cccc1c23 77221206 SFALAUPIMQIZNL-UHFFFAOYSA-N 241.290 2.571 0 40 BFAB CCNC(=O)N(C)[C@@H](CC)Cc1ccccc1 80580279 FIIKGDPDZMGWGQ-ZDUSSCGKSA-N 234.343 2.669 0 40 BFAB O=C(NCc1cc2ccccc2[nH]1)C1CCCC1 82278131 YJSFQOVFLMIWEB-UHFFFAOYSA-N 242.322 2.974 0 40 BFAB Cc1ccc(-c2noc(C(C)C)n2)cc1N 82536060 FBUOJESWLANZHI-UHFFFAOYSA-N 217.272 2.751 0 40 BFAB Fc1cc(F)c(CNc2ncccn2)cc1F 83366668 GNOCPERJTQUVFL-UHFFFAOYSA-N 239.200 2.506 0 40 BFAB CC[C@H](C)[C@@H](C)NC(=O)c1cc(C2CC2)on1 84721582 LRXYMLGLSWNQKI-DTWKUNHWSA-N 236.315 2.716 0 40 BFAB NCC1(Cc2cccc(C(F)(F)F)c2)CC1 85033799 KDASLUCJBUGNNU-UHFFFAOYSA-N 229.245 2.987 0 40 BFAB Cc1cc(Br)nc(C(F)(F)F)n1 85386284 XRFWRYDISGVORD-UHFFFAOYSA-N 241.010 2.566 0 40 BFAB CCC[C@H](O)c1cc(F)c(F)c(OC)c1 95729216 AAZMMICSPMEHEU-VIFPVBQESA-N 216.227 2.807 0 40 BFAB CC[C@@](C)(CCO)NC(=O)c1cccc(C)c1C 97047572 HZVJCKKZTLNBNI-HNNXBMFYSA-N 249.354 2.584 0 40 BFAB CC12C[C@@H]3C[C@@H](C1)CC(O[N+](=O)[O-])(C3)C2 100018205 CWLRKOZVJDLYMK-SAAXCQNUSA-N 211.261 2.554 0 40 BFAB C[C@H](CNC[C@@H]1C[C@H]2C=C[C@H]1C2)c1ccncc1 101544117 YHVCTOFQMNKGNZ-VRKREXBASA-N 242.366 2.987 0 40 BFAB S=C(Nc1ccccn1)N[C@H]1C[C@H]2CC[C@H]1C2 102367779 ZQELMTABSPGLNX-DCAQKATOSA-N 247.367 2.557 0 40 BFAB O=Cc1cccc(C(F)(F)C(F)(F)F)n1 169802194 YTMCVOVJOOAYLZ-UHFFFAOYSA-N 225.116 2.548 0 40 BFAB CC(C)C[C@H](N)CN1CC[C@@H]2CCCC[C@H]2C1 242425533 BNTIPNUKXBIXGB-KKUMJFAQSA-N 238.419 2.872 0 40 BFAB CCc1cc(Br)c(F)c(CO)c1 258182404 MJKJWCXNYLSCHX-UHFFFAOYSA-N 233.080 2.643 0 40 BFAB COC(=O)c1[nH]ccc1-c1cccs1 259843062 SRRMAWVZAOVPQT-UHFFFAOYSA-N 207.254 2.530 0 40 BFAB COc1ccccc1C(=O)Nc1cnccc1C 336140925 OBSGMDCCMGEECD-UHFFFAOYSA-N 242.278 2.651 0 40 BFAB CCCO[C@@H](CN(C)C)C(Cl)(Cl)Cl 1557942 WIDGBWIDXRAVLR-ZETCQYMHSA-N 248.581 2.713 0 40 BFAB CCCC[C@H](C)NC(=O)c1ccccc1 1867072 HGUYINNJYBDCRZ-NSHDSACASA-N 205.301 2.995 0 40 BFAB CC1(C)CN2C(=O)c3ccccc3[C@@H]2S1 4072814 WEMLWLXBMJJMNS-NSHDSACASA-N 219.309 2.666 0 40 BFAB CCC(=O)N1CCN=C1SCc1ccccc1 4119789 NRFVKWMXTVMTKQ-UHFFFAOYSA-N 248.351 2.528 0 40 BFAB CCCCNC(=S)N(C)Cc1ccccc1 5503793 JIJPQIDCDQGBDA-UHFFFAOYSA-N 236.384 2.793 0 40 BFAB CCOC(=O)[C@@H]1Sc2ccccc2N=C1C 5833420 VHZZXIZQFBTJEA-LLVKDONJSA-N 235.308 2.816 0 40 BFAB CCN(CC)C(=O)NCc1ccc(Cl)cc1 6462682 NOZWXYLFGOGEMD-UHFFFAOYSA-N 240.734 2.891 0 40 BFAB NC(=O)c1ccccc1NCc1cccc(F)c1 10939434 ZDTGDAAAWJXXKW-UHFFFAOYSA-N 244.269 2.537 0 40 BFAB O=C(NC1CCCCCC1)c1ccccc1O 11639223 YNMPZOVUKPRDBY-UHFFFAOYSA-N 233.311 2.845 0 40 BFAB CC(C)CC(=O)N(C)c1nc2ccccc2o1 12985600 ZKYFLXZPCAYOQO-UHFFFAOYSA-N 232.283 2.837 0 40 BFAB O=c1cc(N2CCCC2)c2ccccc2s1 16525364 VHPDNPLUZCBDQQ-UHFFFAOYSA-N 231.320 2.862 0 40 BFAB COc1ccc([C@H](C)NC[C@@H]2CCCO2)cc1 19963605 NICCLSBWWUDBHY-FZMZJTMJSA-N 235.327 2.525 0 40 BFAB Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1 20373284 RMMIOVXHHBXTOU-UHFFFAOYSA-N 247.685 2.570 0 40 BFAB in-vitro O=C(O)c1cnc(-c2cccs2)s1 20439959 CODFJGNBJOPGQV-UHFFFAOYSA-N 211.267 2.570 0 40 BFAB in-vitro C[C@@H](NC(=O)c1cccnc1)c1cccs1 23079537 WOGNOWISQCBQIW-SECBINFHSA-N 232.308 2.634 0 40 BFAB Cc1cc(CNC(=O)C2CCC2)ccc1F 32865084 BMAMXJVZEWAFQJ-UHFFFAOYSA-N 221.275 2.550 0 40 BFAB CCOc1ccc(C(=O)C(F)(F)F)cc1F 34308182 TUPUSABJIZPDKF-UHFFFAOYSA-N 236.164 2.969 0 40 BFAB CC1CCN(Cc2cc(F)ccc2N)CC1 35308358 WTKFDEMSAGEEOZ-UHFFFAOYSA-N 222.307 2.640 0 40 BFAB Cc1cc(C(=O)N[C@@H](C)c2cccs2)on1 36397529 QNOCOAVVMQVZGU-QMMMGPOBSA-N 236.296 2.536 0 40 BFAB CC1(C)CC(=O)C2=N[C@@H](c3ccccc3)N=C2C1 36584484 VPTVQTIEGSAYTA-AWEZNQCLSA-N 240.306 2.970 0 40 BFAB CCCC[C@@H](C)NCCCOC[C@@H]1CCCO1 37233850 DIGDHFOBCVSJTQ-KGLIPLIRSA-N 243.391 2.740 0 40 BFAB COc1ccc(F)cc1[C@@H](O)c1ccc(C)o1 40258467 IFALXRCYQDZCTF-CYBMUJFWSA-N 236.242 2.817 0 40 BFAB O=C(CC[C@@H]1CCCO1)Nc1cccc(F)c1 40505858 FVORHNUFVULIAF-LBPRGKRZSA-N 237.274 2.723 0 40 BFAB O=C(/C=C/c1cccnc1)NC1CCCCC1 42648900 KNIRIOLNTXHLDH-CMDGGOBGSA-N 230.311 2.544 0 40 BFAB COc1ccc(NC(=O)c2ccc(C)nc2)cc1 48304178 DZBMNGUUZKDKME-UHFFFAOYSA-N 242.278 2.651 0 40 BFAB O=C(Nc1ccc(Cl)c(F)c1)[C@@H]1CCCO1 49232519 BUKPYUPEXOOYCN-JTQLQIEISA-N 243.665 2.597 0 40 BFAB CCOc1ccc([C@@H](O)c2cccc(N)c2)cc1 53993798 YPGPKXTXPNORMP-OAHLLOKOSA-N 243.306 2.749 0 40 BFAB CNC(=O)N(Cc1ccccc1)[C@H](C)C1CC1 58441296 CSCWYUXCXRPSDF-LLVKDONJSA-N 232.327 2.627 0 40 BFAB CC1(C)CCN(c2ccccc2CO)CC1 61820614 MSNONZUVMIUBSF-UHFFFAOYSA-N 219.328 2.805 0 40 BFAB Cc1nc2onc(C)c2c(C(=O)O)c1C(C)C 72220520 HLQYRQCKXQQGEG-UHFFFAOYSA-N 234.255 2.661 0 40 BFAB CC[C@H](N)c1cnc(NC(C)C)c(C)c1 72221972 IFGOPPMBNCLIPL-NSHDSACASA-N 207.321 2.620 0 40 BFAB Cc1cc(CN2C[C@@H]3CCCN3C[C@H]2C)oc1C 72324745 FLHGHJKACAGEMC-OCCSQVGLSA-N 248.370 2.565 0 40 BFAB Cc1c[nH]nc1[C@@H]1CCN(C2CCCCC2)C1 72381185 ZAGPQDQNUXCXGA-GFCCVEGCSA-N 233.359 2.840 0 40 BFAB CC(C)C[C@@H]1CC(=O)N1C(=O)OC(C)(C)C 72481919 CIDQRDIGTWFLKG-SECBINFHSA-N 227.304 2.569 0 40 BFAB C[C@@](O)(C(=O)OC1CCCCC1)c1ccccc1 87493322 CBZGVBIGERLUJG-HNNXBMFYSA-N 248.322 2.770 0 40 BFAB FCCOc1ccc(Oc2cn[nH]c2)cc1 95095571 JFPNUUYFQWDJCU-UHFFFAOYSA-N 222.219 2.550 0 40 BFAB CC(C)(C)c1noc([C@H]2CCCS2)n1 95404048 JLNLKFQMPSOMTI-SSDOTTSWSA-N 212.318 2.935 0 40 BFAB CCS[C@H]1CCC[C@@H]1NC(=O)C1CCCC1 96450671 IOKQYDOGBPGVPN-RYUDHWBXSA-N 241.400 2.967 0 40 BFAB O=C(Nc1nccs1)[C@@H]1C[C@H]2CC[C@H]1C2 101154270 PHKMYNOCRCZCOU-XHNCKOQMSA-N 222.313 2.518 0 40 BFAB CCOc1ccc2[nH]c(CC)c(C)c(=O)c2c1 104161531 BAENFACHSKQZME-UHFFFAOYSA-N 231.295 2.798 0 40 BFAB CC(C)(C)c1cc2[nH]c(C(C)(C)C)cc(=N)n2n1 105887987 QDLOHFWERGXWDA-UHFFFAOYSA-N 246.358 2.737 0 40 BFAB Cc1cc(C)c2nccc(NCCCN)c2c1 222676749 CPQGUSRUJSFDKE-UHFFFAOYSA-N 229.327 2.612 0 40 BFAB NCCCNc1ccnc2c(Cl)cccc12 222678568 PFNOXODHIRAVNM-UHFFFAOYSA-N 235.718 2.649 0 40 BFAB CSc1cccc(NC(=O)c2cnco2)c1 224060391 QRTCIXTYVRHUDS-UHFFFAOYSA-N 234.280 2.649 0 40 BFAB Cc1ccc(OC[C@@H](C)NC(=O)C2CC2)cc1C 225386335 MTJWPTFTCWFCKE-GFCCVEGCSA-N 247.338 2.597 0 40 BFAB COc1cccc(OC[C@@H](O)c2ccccc2)c1 1604192 JXCUEKBOURBMPA-OAHLLOKOSA-N 244.290 2.808 0 40 BFAB CCOC(=O)/C(F)=C/c1ccc(OC)cc1 1625462 HAVOABSXFULZTO-FLIBITNWSA-N 224.231 2.569 0 40 BFAB CCC(=O)N1CCC(Cc2ccccc2)CC1 5427893 KJVSZXGBRRXABM-UHFFFAOYSA-N 231.339 2.878 0 40 BFAB C[C@H]1CCC[C@@H]([C@@H]2CCCCCC[C@@H]2O)N1 5463291 GATSTKOBZRQEDQ-XUXIUFHCSA-N 225.376 2.848 0 40 BFAB O[C@@H](/C=C/c1ccccc1)C(F)(F)F 15203114 TWENPNDYVIPCRK-UCUJLANTSA-N 202.175 2.623 0 40 BFAB CCNC(=O)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 19075271 RIUOKZLPBODRHT-GWCFXTLKSA-N 224.348 2.617 0 40 BFAB Cc1ccc(O[C@@H]2CCCC[C@@H]2N)cc1 19267051 HMFVQISHPUDYEG-QWHCGFSZSA-N 205.301 2.644 0 40 BFAB C[C@H](NC(=O)[C@@H]1C[C@H]1C)c1ccccc1F 32983398 XNYJBCQPDXPRNK-WCABBAIRSA-N 221.275 2.659 0 40 BFAB Oc1cccc(-c2noc(C3CCC3)n2)c1 34956175 WLYVPVHRPPUAIM-UHFFFAOYSA-N 216.240 2.710 0 40 BFAB CC(C)(C)c1ccc2c(c1)C(=O)CCO2 36928554 WIHDZXWBSWGOEX-UHFFFAOYSA-N 204.269 2.949 0 40 BFAB CS[C@H](C)C(=O)N[C@@H](C)c1cccs1 40523433 IBDASKUUINCBKB-JGVFFNPUSA-N 229.370 2.677 0 40 BFAB Cc1cc(C(=O)N[C@@H](C)c2cccc(F)c2)no1 42672366 LJIPJGRPHIWGAZ-VIFPVBQESA-N 248.257 2.613 0 40 BFAB Cc1ccc(C(=O)CC(C)(C)C(=O)O)cc1C 43214302 FSPTXYPFFOVVPY-UHFFFAOYSA-N 234.295 2.987 0 40 BFAB Cc1c(F)cccc1Cc1cnc(N)s1 43321766 BQHZXDJAKXYCPN-UHFFFAOYSA-N 222.288 2.764 0 40 BFAB CCCCCNC(=O)COc1c(C)cccc1C 46464126 KMWXXBFDDGWWLG-UHFFFAOYSA-N 249.354 2.989 0 40 BFAB NCCCCCN1CC[C@@H]2CCCC[C@@H]2C1 49580735 VXEUCYLCEJAUIV-UONOGXRCSA-N 224.392 2.628 0 40 BFAB CNCCCNCc1cccc(Cl)c1Cl 57362400 BILOLZGHIWGKKH-UHFFFAOYSA-N 247.169 2.693 0 40 BFAB Cc1ccc2cn[nH]c2c1Br 71789962 YQYJCEGYOVYERM-UHFFFAOYSA-N 211.062 2.634 0 40 BFAB in-vitro CCCCCNC(=O)Cc1ccc(OC)c(C)c1 74959663 SSTZVEKUCYGCFJ-UHFFFAOYSA-N 249.354 2.853 0 40 BFAB CO[C@H]1CCCC[C@@H]1CCNCC1CCC1 85395936 ZHGKGBHCJDLRPG-KGLIPLIRSA-N 225.376 2.971 0 40 BFAB Cc1nc(CN[C@H]2CCCC[C@H]2C(C)C)no1 97163500 ZNJPFFKEJCLXRX-RYUDHWBXSA-N 237.347 2.682 0 40 BFAB COc1ccc(N/C(=C/[N+](=O)[O-])SC)cc1 100539428 KTGOPTAYWAHLCN-YFHOEESVSA-N 240.284 2.546 0 40 BFAB CC[C@H](NN)c1ccc(C(F)(F)F)cc1 161779055 VGAXHPZOILZPNF-VIFPVBQESA-N 218.222 2.620 0 40 BFAB C[C@H]1CN(c2ccnc3ccccc23)C[C@@H](C)O1 182976346 UTDQYQMZFVUDMG-TXEJJXNPSA-N 242.322 2.848 0 40 BFAB CC(C)OC(C(F)(F)F)C(F)(F)F 200741141 NGFIRFOYFZFFPC-UHFFFAOYSA-N 210.117 2.905 0 40 BFAB O=C(NCc1cccs1)N1[C@H]2C=CC[C@H]1CC2 208027451 KZTLJQOREHCGID-QWRGUYRKSA-N 248.351 2.751 0 40 BFAB CCc1[nH]c2ccc(C)cc2c(=O)c1CC 685938542 NOLWRUOJCQDBAG-UHFFFAOYSA-N 215.296 2.961 0 40 BFAB O=C1C[C@@H](c2ccccc2)N(c2ccccc2)N1 1514964 CBDMBBKKGFKNCA-AWEZNQCLSA-N 238.290 2.669 0 40 BFAB biogenic CC(C)(C)NC(=O)c1cc(Cl)ccc1O 1689021 GBYGXICIRDRNPE-UHFFFAOYSA-N 227.691 2.574 0 40 BFAB CCCCCCOC(=O)[C@H](O)c1ccccc1 1729707 WTWKQARYVVXCNG-CYBMUJFWSA-N 236.311 2.844 0 40 BFAB CC[C@]1(C)Oc2ccc(NC(=O)C3CC3)cc2O1 2492603 XAWHQGWMYDKCIO-CQSZACIVSA-N 247.294 2.933 0 40 BFAB S=c1[nH]nc(Cc2cccs2)n1C1CC1 4206588 YFLJIWADRKDDKS-UHFFFAOYSA-N 237.353 2.928 0 40 BFAB C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2C)CC(C)(C)C1 5696399 HCNCEEAFXADKPJ-WRWGMCAJSA-N 223.360 2.973 0 40 BFAB CC(C)N[C@H]1CCC[C@H]2c3ccccc3[C@]12O 5962986 BBVGKEUPIYFHFC-SOUVJXGZSA-N 231.339 2.522 0 40 BFAB C[C@H](SCc1ccc(F)cc1)C(=O)O 6182877 JNYRAMJQLUPMSH-ZETCQYMHSA-N 214.261 2.532 0 40 BFAB CCc1ccc(C(=S)NC[C@H]2CCCO2)cc1 9188263 MDXDJDKQUNXNHG-CYBMUJFWSA-N 249.379 2.693 0 40 BFAB Clc1ccc(O[C@@H]2CCNC2)cc1Cl 14632175 ZRYMANOGJMYQPM-MRVPVSSYSA-N 232.110 2.734 0 40 BFAB in-vitro N[C@H](CN1CCCCCCC1)c1ccccc1 20265768 FITLIWPVQYVWFL-OAHLLOKOSA-N 232.371 2.953 0 40 BFAB O=C(O)c1ccc(-n2ncc3ccccc32)cc1 21988179 STFHKUYXOIKARG-UHFFFAOYSA-N 238.246 2.724 0 40 BFAB CCONC(=O)CCCc1c[nH]c2ccccc12 22874522 KETDPTZMTIGLDK-UHFFFAOYSA-N 246.310 2.558 0 40 BFAB O=C(NC(C1CC1)C1CC1)c1ccccc1 29383209 ZFDVHDWMZZOIAG-UHFFFAOYSA-N 215.296 2.605 0 40 BFAB CN(Cc1ccccc1Cl)C(=O)C1CC1 32962330 ANFQIEVJGZXDMF-UHFFFAOYSA-N 223.703 2.708 0 40 BFAB CCOc1ccc(NC(=O)c2cccn2C)cc1 32975903 MQZRFHQFDAXZPM-UHFFFAOYSA-N 244.294 2.676 0 40 BFAB c1ccc2c(c1)CCCN2CCC1CCNCC1 34972501 CFJANGGCALOVAW-UHFFFAOYSA-N 244.382 2.829 0 40 BFAB CCCn1c(CCN)nc2cc(Cl)ccc21 37440502 MWJYZHLGXSYGJW-UHFFFAOYSA-N 237.734 2.601 0 40 BFAB CCOC(=O)[C@H](C)Nc1ccc(Cl)cc1 37962661 OMYQCODIMZACEZ-QMMMGPOBSA-N 227.691 2.704 0 40 BFAB Cc1cc(C)c(OCC2CC2)c(C=O)c1 42784112 OCEJJOYUOHKFPX-UHFFFAOYSA-N 204.269 2.905 0 40 BFAB CCc1ccc(C(=O)CC(C)(C)C(=O)O)cc1 43214247 JZPAMADRFYJDLN-UHFFFAOYSA-N 234.295 2.933 0 40 BFAB CC(C)(C)c1cc(N)nc(C(C)(C)C)n1 44262991 BOVPBWMWRQMJNO-UHFFFAOYSA-N 207.321 2.654 0 40 BFAB in-vitro Cc1cc(CNc2nc3ccccc3o2)no1 44416294 LWAWUEANBNKVNO-UHFFFAOYSA-N 229.239 2.736 0 40 BFAB COc1ccc(C(=O)c2ccc(C)nc2)cc1 45029053 SFAVOWYDIYDRGU-UHFFFAOYSA-N 227.263 2.630 0 40 BFAB CC(C)N(Cc1ccccc1)C[C@@H]1CCNC1 51889895 FWAOJFGDTNTJHN-OAHLLOKOSA-N 232.371 2.507 0 40 BFAB NCc1ccc(Cl)cc1OCC(F)(F)F 62787102 LXUXNYPWGMQDKL-UHFFFAOYSA-N 239.624 2.740 0 40 BFAB Cc1cc(C(C)(C)C)cc(C)c1[C@H](O)CO 71524566 IUOHVZBHYFTNSD-GFCCVEGCSA-N 222.328 2.627 0 40 BFAB CC(=O)N1CCC[C@H]1c1ccc2[nH]ccc2c1 72221726 WMGNHIHLQUDESZ-AWEZNQCLSA-N 228.295 2.851 0 40 BFAB c1nc2ccc(OCC3CCC3)cc2[nH]1 85391544 KHTBNNZYKRXUCI-UHFFFAOYSA-N 202.257 2.742 0 40 BFAB Cc1cc(F)cc(NCc2csnn2)c1 85730036 HWCVIXPIQVSTBK-UHFFFAOYSA-N 223.276 2.598 0 40 BFAB C[C@@H]1CCC(=O)[C@@H](Cc2cccnc2)C1 86355075 XHGVXYJZMBMEPR-ZYHUDNBSSA-N 203.285 2.629 0 40 BFAB CCc1nsc(N2C[C@H]3CC=CC[C@@H]3C2)n1 89295491 LCFVFULALCUVCU-NXEZZACHSA-N 235.356 2.503 0 40 BFAB Cc1nc(-c2cccc(C(=O)N(C)C)c2)cs1 89712618 DZNWRPPLBNXEDV-UHFFFAOYSA-N 246.335 2.820 0 40 BFAB CSc1ccc(C(=O)OCc2ccoc2)o1 95395844 AFUFXXQJNUMTRZ-UHFFFAOYSA-N 238.264 2.952 0 40 BFAB CC(C)(C)N1CCC(NC2CC=CC2)CC1 95423761 JCTCSJSEICFWKP-UHFFFAOYSA-N 222.376 2.558 0 40 BFAB Cc1ccc2c(-c3ccccc3)nc(=O)[nH]c2c1 95618962 RCACNNDULKIVOI-UHFFFAOYSA-N 236.274 2.899 0 40 BFAB COC(=O)n1ccc2c(Cl)cc(Cl)nc21 95933236 ATYBAVIVPHNQMM-UHFFFAOYSA-N 245.065 2.958 0 40 BFAB in-vitro C[C@@H](CCCN(C)C)N[C@@H]1CCc2ccccc21 96009140 ZNRLYUZRFPMSPK-XJKSGUPXSA-N 246.398 2.994 0 40 BFAB COc1ccccc1Cn1c(C)ccc1C(=O)O 96113688 YFVJJXXEINWZJG-UHFFFAOYSA-N 245.278 2.552 0 40 BFAB Cc1csc(C[S@@](=O)CC2CCCC2)n1 97033790 QNDQFCBNVZRNOR-OAHLLOKOSA-N 243.397 2.890 0 40 BFAB COc1ccc(F)cc1C(=O)CCSC 161727927 ZEPDFEXAFYFJGM-UHFFFAOYSA-N 228.288 2.770 0 40 BFAB CCNCc1cccn1-c1cccc(C)c1 223679793 BZHQEVYEMLWNIU-UHFFFAOYSA-N 214.312 2.895 0 40 BFAB O=Cc1cccc(C2(CO)CCCCC2)c1 256047860 PDEYPPLHXKSWLD-UHFFFAOYSA-N 218.296 2.693 0 40 BFAB CC(C)(C)OC(=O)N1CC[C@@H](c2ccccn2)C1 307739129 JZXLGHYDEQKJEQ-LLVKDONJSA-N 248.326 2.806 0 40 BFAB O=C(c1ccccc1OC(F)F)C(F)F 379809801 ZIJLSUAZZDHLNK-UHFFFAOYSA-N 222.137 2.736 0 40 BFAB Cc1nc(C)c(C(=O)N(C)c2ccccc2C)[nH]1 912830076 GXKFDBSSVDEORE-UHFFFAOYSA-N 243.310 2.612 0 40 BFAB COc1ccc(OC(=O)c2cccs2)cc1 477393 CIJQJYGRBZJGTF-UHFFFAOYSA-N 234.276 2.976 0 40 BFAB Cn1cc([C@@H]2CCCN2)c2ccccc21 1999166 MHUGNQWXLUJVNZ-LBPRGKRZSA-N 200.285 2.603 0 40 BFAB CCCCN1C(=O)[C@H]2CC[C@@](C)(C1=O)C2(C)C 3901739 IKHHMGVOWQSRKL-YGRLFVJLSA-N 237.343 2.598 0 40 BFAB O=C(Cn1cnc2ccccc21)c1ccccc1 4412352 PALXXAQBOPMQNB-UHFFFAOYSA-N 236.274 2.919 0 40 BFAB Cc1cccc(CC[C@H](O)CNCC(C)C)c1 6523075 SBYMTCHUBFZZDB-HNNXBMFYSA-N 235.371 2.534 0 40 BFAB CN(C(=O)/C=C\c1ccco1)c1ccccc1 12495336 ZJVHYXGLZFZWMM-KTKRTIGZSA-N 227.263 2.956 0 40 BFAB c1ccc2cc(OC[C@@H]3CCNC3)ccc2c1 14632433 FXQBHPKGRGPIKE-GFCCVEGCSA-N 227.307 2.828 0 40 BFAB in-vivo [O-][N+]1=N[C@H]2CCCC[C@H]2N1OCc1ccccc1 16034532 NCRUWSXQSHNFIR-QWHCGFSZSA-N 247.298 2.623 0 40 BFAB O=C(c1ccccc1)C(F)(F)Br 22004353 QRVPSDIABPAOTN-UHFFFAOYSA-N 235.027 2.857 0 40 BFAB CC(C)(C)C(=O)N1CCO[C@H](c2ccccc2)C1 24012936 SYEKUVWIBUDQBX-ZDUSSCGKSA-N 247.338 2.633 0 40 BFAB Cc1cccc(C2(C(=O)NC3CC3)CCC2)c1 24592766 VVXVKVREBGPFAO-UHFFFAOYSA-N 229.323 2.695 0 40 BFAB O=C(O)[C@@H]1C[C@H]1c1c(F)cccc1Cl 32012991 NVHNBFOVILMVRL-PHDIDXHHSA-N 214.623 2.667 0 40 BFAB CC(C)(C)NC(=O)c1cc(Cl)nc(Cl)c1 34938332 GJXCDPPDYMHIFV-UHFFFAOYSA-N 247.125 2.917 0 40 BFAB CC(C)c1nn(-c2ccccc2)cc1C(=O)O 36894471 AVKAZVYDPUIIAC-UHFFFAOYSA-N 230.267 2.694 0 40 BFAB in-vitro Cc1csc2nnc(-c3ccccc3)n12 39233371 ZDEOXXNYANNCHL-UHFFFAOYSA-N 215.281 2.766 0 40 BFAB C[C@@H](C(=O)O)c1ccccc1C(F)(F)F 40740227 JPPNPOBHKNSXQZ-ZCFIWIBFSA-N 218.174 2.894 0 40 BFAB in-vitro CC(C)C(=O)N1C[C@H](C)O[C@H](c2ccccc2)C1 41421371 NWYKBEGZNZJPER-JSGCOSHPSA-N 247.338 2.631 0 40 BFAB CC(C)[C@H](O)c1ccc2ccccc2n1 63075743 UTOMIKALKKLEJE-ZDUSSCGKSA-N 201.269 2.924 0 40 BFAB Cc1cc(C=O)c(OC(F)F)cc1C 71790370 UYYJPPAFXGXYQD-UHFFFAOYSA-N 200.184 2.717 0 40 BFAB in-vitro CNCc1cnc(NCc2ccccc2)c(C)c1 72222342 KQNZLUJIYSRAHR-UHFFFAOYSA-N 241.338 2.722 0 40 BFAB c1cc([C@@H]2CCCN(C3CCCC3)C2)ncn1 72348413 JDMGWFPRCYJUBI-GFCCVEGCSA-N 231.343 2.599 0 40 BFAB OCc1ccc2oc(-c3ccccc3)nc2c1 75411361 IXUAXNNELOJMNB-UHFFFAOYSA-N 225.247 2.987 0 40 BFAB CC1(C)CC(C(=O)O)(c2ccccc2)C1 77297858 CLSRUFAQOVMBBX-UHFFFAOYSA-N 204.269 2.829 0 40 BFAB CCOCCC1(C(=O)NC2CCCC2)CCC1 84801221 ZJUULYFUDHMIMK-UHFFFAOYSA-N 239.359 2.642 0 40 BFAB CCCCNC[C@@H](CC)CCOCC 85396246 GQYUVNXKWTXICO-LBPRGKRZSA-N 201.354 2.829 0 40 BFAB C[C@]1(C(=O)Nc2ccccc2O)CCCS1 95442656 HGRXRRRDOHEJIR-GFCCVEGCSA-N 237.324 2.616 0 40 BFAB Oc1cccc(NCc2nc3c(s2)CCC3)c1 97104738 NJMBSMDOLWZPTF-UHFFFAOYSA-N 246.335 2.950 0 40 BFAB CCc1noc([C@H](C)N[C@@H](C)c2ccc(C)o2)n1 97374009 JAAUNIKRWSKLFV-UWVGGRQHSA-N 249.314 2.945 0 40 BFAB CC(C)=C[C@H](C)OC(=O)c1cccnc1 195577076 ZYSSQYWVAVMPCB-JTQLQIEISA-N 205.257 2.593 0 40 BFAB Clc1nccc(=Nc2cccc3cc[nH]c23)[nH]1 1857795153 PPVLYGJTVDXNSH-UHFFFAOYSA-N 244.685 2.777 0 40 BFAB Oc1cc2c3c(c1)COc1cc(O)cc(c1-3)CC2 899129 QMOLHJKSZMURCV-UHFFFAOYSA-N 240.258 2.756 0 40 BFAB biogenic,in-vitro C[C@H]([C@@H](O)c1cccc2ccccc12)N(C)C 1706284 LMLDSGFONOLDDP-IAQYHMDHSA-N 229.323 2.823 0 40 BFAB O[C@H]1CCCC[C@@H]1O[C@H]1CCc2ccccc2C1 4804201 URWHCJCJJUVQBA-JYJNAYRXSA-N 246.350 2.864 0 40 BFAB CC(C)CC(=O)Nc1ccc(F)c(F)c1 5497578 CUPIWPHTTQUUHT-UHFFFAOYSA-N 213.227 2.949 0 40 BFAB CCCCO[C@@H]1NC(=O)Oc2ccccc21 5664464 LMPVXVPUMLEYJL-NSHDSACASA-N 221.256 2.604 0 40 BFAB CC1CCN(Cc2ccc(C(=O)O)cc2)CC1 9237175 DOQZFLXNYNDVGT-UHFFFAOYSA-N 233.311 2.617 0 40 BFAB CC(C)(C)SCC(=O)Nc1nccs1 9609502 IOXFDQHALBMXPA-UHFFFAOYSA-N 230.358 2.613 0 40 BFAB CC[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1 13010575 LQPUNXJSKPAXLM-SECBINFHSA-N 219.284 2.874 0 40 BFAB CC(C)OP(=O)(OC(C)C)c1ccncc1 13207892 FKMZXWZCEXHILQ-UHFFFAOYSA-N 243.243 2.750 0 40 BFAB CCOC(=O)c1ccc2ccccc2c1O 14492383 NYOUMBFXFQZOLM-UHFFFAOYSA-N 216.236 2.722 0 40 BFAB Clc1cccc(OC[C@H]2CCCNC2)c1 14631199 VQCKBCXQGGVKPY-JTQLQIEISA-N 225.719 2.718 0 40 BFAB in-vitro C[C@@H]1CCCN(C(=O)/C=C\c2ccccc2)C1 17023924 NTENAXUBMPWURD-ASCRHOAZSA-N 229.323 2.958 0 40 BFAB O=Cc1c(Cl)cccc1N1CCCC1 20078906 AFHHLLAGAHZCKB-UHFFFAOYSA-N 209.676 2.753 0 40 BFAB in-vitro CCC(=O)Nc1cccc(-c2ccc(CO)o2)c1 20136471 YRYCTNKMPWBBDL-UHFFFAOYSA-N 245.278 2.787 0 40 BFAB CCOc1ccc([C@H]2C[C@@H]2[C@@H](C)O)cc1 20392452 ADGXOVIRURHYPI-OASPWFOLSA-N 206.285 2.570 0 40 BFAB O=C(/C=C/c1ccncc1)Nc1cccc(F)c1 29107655 IHTSHSKXHWNHBP-SNAWJCMRSA-N 242.253 2.873 0 40 BFAB O=C(O)C[C@H]1CCC[C@H](C(F)(F)F)C1 34293462 BUJBAYNWPMAINK-BQBZGAKWSA-N 210.195 2.830 0 40 BFAB in-vitro CC1(C)C[C@@H](N)c2ccc(Cl)cc2O1 36720538 JGGLVHFQDFNMNK-SECBINFHSA-N 211.692 2.901 0 40 BFAB O[C@H]1CCC[C@@H]1Nc1ccccc1Cl 37689903 YXXTYANVBPPGJY-QWRGUYRKSA-N 211.692 2.665 0 40 BFAB CCOC(=N)c1ccccc1OC(F)(F)F 37928154 GOKFGHLQXWGBBI-UHFFFAOYSA-N 233.189 2.947 0 40 BFAB O[C@@H](CCNCc1ccccc1)c1ccccc1 39077208 LNUDPASEMGLGKQ-INIZCTEOSA-N 241.334 2.900 0 40 BFAB O=C(O)CCCCN1CCC[C@@H]1C1CCCC1 45083917 KAFZQFKXTXDLIS-CYBMUJFWSA-N 239.359 2.896 0 40 BFAB C[C@@H]1Cc2ccccc2N(C(=O)NC2CC2)C1 62093418 MASIJMLBGZNBJP-SNVBAGLBSA-N 230.311 2.557 0 40 BFAB c1csc([C@H]2NCc3ccccc3N2)c1 68708826 MCPBTXHPLCKQIC-LBPRGKRZSA-N 216.309 2.962 0 40 BFAB c1cncc(CN2CCc3ccccc3CC2)c1 71909400 WQFHBEJMRNZOJG-UHFFFAOYSA-N 238.334 2.682 0 40 BFAB OCC1(c2cc(-c3cccs3)on2)CCC1 72220654 RLWSYPSBFNAUGA-UHFFFAOYSA-N 235.308 2.817 0 40 BFAB c1csc(-c2noc([C@H]3CCCOC3)n2)c1 84445025 KOFZMCNDWKWBFB-QMMMGPOBSA-N 236.296 2.692 0 40 BFAB CN(C(=O)OC(C)(C)C)c1ncccc1F 90411608 LMSFQJGSZQWWFL-UHFFFAOYSA-N 226.251 2.592 0 40 BFAB FC(F)(F)COc1cc(Cl)ccn1 91366019 UQUDIOBRPUWRHV-UHFFFAOYSA-N 211.570 2.676 0 40 BFAB CNC(=O)N1C[C@H]2CCCC[C@]21c1ccccc1 92760126 RKLNBHPNGJEPTR-HIFRSBDPSA-N 244.338 2.727 0 40 BFAB CC[C@@H](O)Cc1ccc(Cl)c(F)c1 95740266 WEBKNROGAVSTLO-MRVPVSSYSA-N 202.656 2.793 0 40 BFAB CC(C)(C)c1ccc(OC2(CO)CC2)cc1 96511798 GJPQLYDNEMJIFQ-UHFFFAOYSA-N 220.312 2.888 0 40 BFAB CC1=CCC[C@H](C)[C@H]1CNCCc1ccnn1C 97098982 GAOILOQZFVCFBT-ZFWWWQNUSA-N 247.386 2.545 0 40 BFAB CC(=O)c1ccc2c(c1)OCC(C)(C)CO2 142541445 YZOQNUVAFYTAHG-UHFFFAOYSA-N 220.268 2.687 0 40 BFAB Cc1ncc(-c2nc(-c3cccs3)no2)cn1 216623164 RJYZMZNMWBHDED-UHFFFAOYSA-N 244.279 2.564 0 40 BFAB COc1ccc(CCC(=O)N2CCCC2)cc1C 223706039 HXJXZKDEMHJSQT-UHFFFAOYSA-N 247.338 2.559 0 40 BFAB CCc1ccc(CNCc2ccco2)n1CC 226019734 ZKYPLSAEIUNQJA-UHFFFAOYSA-N 232.327 2.953 0 40 BFAB COc1cccc([C@H](O)Cc2ccccc2)c1 344492 BCOIOUFGMAXMQK-OAHLLOKOSA-N 228.291 2.971 0 40 BFAB O=C(NCc1cc2ccccc2o1)c1ccco1 375562 IHGJXBTXZIYPHT-UHFFFAOYSA-N 241.246 2.956 0 40 BFAB Cc1ccc2nc(-c3ccccc3)nn2c1 1702509 NZAPEEVXUQFNQS-UHFFFAOYSA-N 209.252 2.705 0 40 BFAB CCCCn1c(=S)[nH]c2ccsc2c1=O 2909274 KFULURXNVNLJOV-UHFFFAOYSA-N 240.353 2.921 0 40 BFAB CCNC(=S)Nc1cccc2cnccc12 3310310 QSBKSUTZKXKCED-UHFFFAOYSA-N 231.324 2.541 0 40 BFAB CCOC(=O)[C@H](CC)C1CCC(OC)CC1 3845065 RIPFGPWXXCASAS-HTAVTVPLSA-N 228.332 2.781 0 40 BFAB biogenic CCOC(=O)CCCCC[C@@H]1CCCC1=O 3860549 LJZYHOVSZOHASC-LLVKDONJSA-N 226.316 2.869 0 40 BFAB CC1(C)C[C@@H](O)[C@@]23CC[C@@H](O)[C@@](C)(CC[C@H]12)C3 4942612 BWXJQHJHGMZLBT-MYYUVRNCSA-N 238.371 2.725 0 40 BFAB C[n+]1cc(-c2ccccc2)n2c1CCCCC2 5574543 VETXZXVRMVCCNU-UHFFFAOYSA-N 227.331 2.706 0 40 BFAB COc1ccc(C[C@H](N)c2ccccc2)cc1 6484332 IETVCJMCHZSPAE-HNNXBMFYSA-N 227.307 2.938 0 40 BFAB Cc1coc(C)c1C(=O)NC1CCCC1 9764031 PVYTYZAVIBGQIS-UHFFFAOYSA-N 207.273 2.569 0 40 BFAB O=C(O)CCOc1cccc(Cl)c1Cl 11889330 CRNLCJQJWPINRV-UHFFFAOYSA-N 235.066 2.847 0 40 BFAB Cc1ccc(C(=O)N[C@H](C)C2CC2)s1 12903912 REUXOIYENRMTCD-MRVPVSSYSA-N 209.314 2.585 0 40 BFAB Cc1cc(NC(=O)Cc2ccc(C)c(C)c2)on1 13597007 CBHXPKBJTNRHHY-UHFFFAOYSA-N 244.294 2.781 0 40 BFAB CCN(CC)CCOc1ccc(Cl)cc1N 14629322 MJBOZOOPSUPKEE-UHFFFAOYSA-N 242.750 2.643 0 40 BFAB Nc1nc2c(Br)ccc(F)c2s1 15442790 IZJDJKFFDWPQON-UHFFFAOYSA-N 247.092 2.780 0 40 BFAB Cc1nc(N)sc1Cc1ccccc1F 20380927 ZECCDWBVTVXBLH-UHFFFAOYSA-N 222.288 2.764 0 40 BFAB in-vitro CCN(CC)[C@H](C)CNCc1ccccc1 22073552 GHYOQHQWUGEZDX-CYBMUJFWSA-N 220.360 2.507 0 40 BFAB NCCN(c1ccccc1)c1ccccc1 26441428 PADPKJACPLYMPK-UHFFFAOYSA-N 212.296 2.783 0 40 BFAB CCCCN(C)C(=O)c1cc(-c2ccco2)[nH]n1 28993061 HDWOZZMIEXTVTQ-UHFFFAOYSA-N 247.298 2.542 0 40 BFAB N[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 37425107 GJBXYYOESOABGQ-IUCAKERBSA-N 202.084 2.808 0 40 BFAB Clc1cccc(OCC2OCCO2)c1Cl 41302618 VQZNHEIFFJZUJO-UHFFFAOYSA-N 249.093 2.745 0 40 BFAB Cc1nc(CN2CCC[C@H]2c2ccccc2)no1 45914569 VBTUDTSCQFLMLO-ZDUSSCGKSA-N 243.310 2.715 0 40 BFAB O=C(NCc1cccc(F)c1)c1ccccc1 46730313 RKPOVXFJMYIDGM-UHFFFAOYSA-N 229.254 2.756 0 40 BFAB C[C@@H](O)Cc1cc(F)ccc1Br 53784406 IYHLRAUXPBWMSR-ZCFIWIBFSA-N 233.080 2.512 0 40 BFAB in-vitro CCc1nnc(CN(C)C2CCCCCC2)o1 54118010 VNSWZLWCPBZUNM-UHFFFAOYSA-N 237.347 2.787 0 40 BFAB CCCCCC[C@@H](C)N1CCNC[C@@H]1C 67802988 DWUSIMXKIRNGMX-OLZOCXBDSA-N 212.381 2.639 0 40 BFAB COc1ccccc1CN[C@H]1CCC[C@@H](OC)C1 70325371 YUYUDZNEQHPLKH-UONOGXRCSA-N 249.354 2.742 0 40 BFAB CC(C)CC(=O)CNC(=O)OCc1ccccc1 72206814 HGMDAKQQGYEZHV-UHFFFAOYSA-N 249.310 2.528 0 40 BFAB CCOC(=O)C[C@@](C)(CC)NCc1ccccc1 72210249 VPRQGCXKVVVNAX-OAHLLOKOSA-N 249.354 2.898 0 40 BFAB Cc1ccccc1OCCNCC1CCC1 72226485 RDUWTCDTAUMGAL-UHFFFAOYSA-N 219.328 2.764 0 40 BFAB CC(C)(C)OC(=O)N1CCCC12CCC2 77010432 FFHCAKPTFKJGPF-UHFFFAOYSA-N 211.305 2.940 0 40 BFAB Cc1ccc(Cl)cc1NC(=O)c1cnco1 82324785 ZTENCIGOHOCRKK-UHFFFAOYSA-N 236.658 2.889 0 40 BFAB N[C@H](CNc1ncc(Cl)cc1Cl)C1CC1 82593875 MKEPOHCFKQVKAM-SECBINFHSA-N 246.141 2.538 0 40 BFAB O=Cc1ccc(CSc2ccccn2)o1 85394999 TWWWSCBGYZJEIP-UHFFFAOYSA-N 219.265 2.779 0 40 BFAB CC(=O)N1CCCN(C)c2ccc(Cl)cc21 89930553 QHWJKAAXUYRENJ-UHFFFAOYSA-N 238.718 2.533 0 40 BFAB CC(C)(C)OC(=O)Nc1ccc2c(c1)NC(=O)C2 91294590 ZZMDNEIXGBMMFK-UHFFFAOYSA-N 248.282 2.528 0 40 BFAB Fc1ccc2ncnc(Oc3cccnc3)c2c1 92583461 NEZAKHNHGKSTGF-UHFFFAOYSA-N 241.225 2.956 0 40 BFAB N=C(NC(=O)c1ccc(F)cc1)c1ccsc1 95452483 DSJROARSSNJZIT-UHFFFAOYSA-N 248.282 2.643 0 40 BFAB O=C(C1CCCCC1)N1CCc2cnccc21 95960329 CMZUTRCTMGHXDA-UHFFFAOYSA-N 230.311 2.551 0 40 BFAB CCCN(C(=O)Nc1ccc(C)cn1)C1CC1 96502462 BTPFYQWVYFFTIA-UHFFFAOYSA-N 233.315 2.796 0 40 BFAB COc1cc(N)c(Cl)c(C(F)(F)F)c1 98211550 MZJKLZLTMWEULN-UHFFFAOYSA-N 225.597 2.950 0 40 BFAB C[C@H](Nc1cnn(C)c1)c1nc2ccccc2o1 186167008 CXLWREJOULHYOI-VIFPVBQESA-N 242.282 2.734 0 40 BFAB CCc1noc([C@@H](C)Nc2cnn(C(C)C)c2)n1 195563516 YPWVYRHRWAXYRR-SECBINFHSA-N 249.318 2.583 0 40 BFAB CCc1nc2c(s1)[C@H](C(C)C)NCC2 218331507 JUHQHJJUTQUBBE-JTQLQIEISA-N 210.346 2.548 0 40 BFAB Cc1cnc(NC(=S)NC(C)C)c(Cl)c1 223873592 VIRKYZHKKKFIDN-UHFFFAOYSA-N 243.763 2.738 0 40 BFAB Cc1nc2c(cnn2C)c(Cl)c1Cl 225814691 KMFXUPVBQLJTHC-UHFFFAOYSA-N 216.071 2.584 0 40 BFAB Cc1cccnc1O[C@H](C)c1cccnc1 585654155 DQGIGDJLCOKNSG-LLVKDONJSA-N 214.268 2.925 0 40 BFAB Cc1cccc(OC2CCC(N(C)C)CC2)n1 585654782 LVFOLBBXGHGLGI-UHFFFAOYSA-N 234.343 2.642 0 40 BFAB COC(=O)/C(=C/c1ccco1)c1ccccc1 334287 JJJQIAJTTBHMEW-JLHYYAGUSA-N 228.247 2.993 0 40 BFAB Cc1cc(OCCC(=O)O)ccc1Cl 334861 FFOVYPZWPLFBCO-UHFFFAOYSA-N 214.648 2.502 0 40 BFAB O=C(O)c1ccc(C2CCCCC2)cn1 501111 LUNILJUTNGKCJL-UHFFFAOYSA-N 205.257 2.828 0 40 BFAB CCOC(=O)NC[C@H](CC)c1ccccc1 1704262 MPTTYKDZVIRBPG-NSHDSACASA-N 221.300 2.926 0 40 BFAB CCCSCC(=O)Nc1ccccc1 1775268 NQZDSQJEAURWSF-UHFFFAOYSA-N 209.314 2.768 0 40 BFAB CCOCN1C(=O)c2cccc3cccc1c23 1811354 NDCSYAWFNJMLRY-UHFFFAOYSA-N 227.263 2.794 0 40 BFAB COc1ccccc1CC(=O)Nc1ccccc1 3480918 GOWSCBGTYCETJN-UHFFFAOYSA-N 241.290 2.876 0 40 BFAB CCCNC(=O)c1cc2cc(C)ccc2n1C 4711986 GDIXIGDYMPIALX-UHFFFAOYSA-N 230.311 2.627 0 40 BFAB CCSc1ccccc1C(=O)N(C)C 7068837 RXZVWZKFNLCITB-UHFFFAOYSA-N 209.314 2.500 0 40 BFAB Cc1cccc(OC(=O)c2snnc2C)c1C 8673520 DAOHQZWVWYBSGL-UHFFFAOYSA-N 248.307 2.683 0 40 BFAB Clc1nc(Cl)n(CCc2ccccc2)n1 9142819 UJGCVAUILIPKOP-UHFFFAOYSA-N 242.109 2.828 0 40 BFAB CC[C@@H](C)NC(=O)Nc1ccc(F)cc1F 9256321 FNUAIGNNXOOZJC-SSDOTTSWSA-N 228.242 2.885 0 40 BFAB Nc1cccc(-n2cnc3ccccc32)c1 13782567 WRFBYSCAYDYAEV-UHFFFAOYSA-N 209.252 2.608 0 40 BFAB Cc1cc(NN)c2cccc(C(C)C)c2n1 14807673 CXTWLUWUBXIOAZ-UHFFFAOYSA-N 215.300 2.952 0 40 BFAB in-vitro Cc1ccc(Cl)c(-n2cnnc2S)c1 16970959 CDOGLVLXNJIDCX-UHFFFAOYSA-N 225.704 2.518 0 40 BFAB Cc1ccc([C@H](C)NC(=S)NC2CC2)c(C)c1 16973597 VIBCSQPCAVUSMQ-NSHDSACASA-N 248.395 2.991 0 40 BFAB CCC[C@](C)(O)CC[C@](C)(O)CCC 17146803 VGRYQTVSPZCCQK-TXEJJXNPSA-N 202.338 2.869 0 40 BFAB CCOc1ccc(CNCC2CC2)cc1 19884619 FKIQJCVSMCRUMT-UHFFFAOYSA-N 205.301 2.585 0 40 BFAB CC(C)[C@H]1OCCN1[C@@H](C)CCCC(C)(C)O 19947196 RDSYFMCJZMLINT-QWHCGFSZSA-N 243.391 2.630 0 40 BFAB Cc1n[nH]c(C)c1C1SCCCS1 22058053 SWWVQVQGHLQUJJ-UHFFFAOYSA-N 214.359 2.895 0 40 BFAB in-vitro CS(=O)(=O)c1ccc(Oc2ccccc2)cc1 22115756 XVEKOLSQMFRDKJ-UHFFFAOYSA-N 248.303 2.882 0 40 BFAB C[C@@H]1CC[C@H](N(C)C[C@@H](O)c2ccccc2)C1 23280810 FEKLTCGMTHGFNP-VHDGCEQUSA-N 233.355 2.840 0 40 BFAB Cc1ccc(NC(=O)c2cccc(C)n2)cc1 24253861 ZCIXKHBQWSBTGP-UHFFFAOYSA-N 226.279 2.951 0 40 BFAB O=C(NC1CCCC1)c1ccn(C2CCCC2)n1 28223000 SUSWXLGWJYVEHC-UHFFFAOYSA-N 247.342 2.671 0 40 BFAB COC(OC)c1cc(Br)ccc1F 28278278 QIFYKNWELKBCPS-UHFFFAOYSA-N 249.079 2.880 0 40 BFAB CCN(CC)C(=O)c1cccc2cccnc12 32716572 GDBKOQPHVBZMDL-UHFFFAOYSA-N 228.295 2.717 0 40 BFAB CCC(C)(C)NC(=O)c1ccc(C(C)=O)s1 32903243 XSMQGVWAMKLUMJ-UHFFFAOYSA-N 239.340 2.869 0 40 BFAB COC(=O)c1ccc(-c2ccccc2)nc1C 34604809 HHVSDTJQFIOFEY-UHFFFAOYSA-N 227.263 2.844 0 40 BFAB C=CC(=O)N1c2ccccc2CC[C@@H]1C 36334162 FQDROPXHIRKSLC-JTQLQIEISA-N 201.269 2.540 0 40 BFAB O=[N+]([O-])c1ccc(N/N=C2/C[C@H]3C=CC[C@@H]23)cc1 38316229 DWBVNUYMYUVDPD-PCZPHVEJSA-N 243.266 2.959 0 40 BFAB CCC(=O)N1CCC[C@@H]1c1cccc(OC)c1 40487652 GOHKPSCRGCKJMF-CYBMUJFWSA-N 233.311 2.769 0 40 BFAB Cc1ccc(NC(=O)c2cscn2)cc1 41506700 PGXAHXNAGGALMV-UHFFFAOYSA-N 218.281 2.704 0 40 BFAB Cc1cc(C(=O)N(C)C2CCCCCC2)[nH]n1 48688141 ZMUJVMXHEJWZMG-UHFFFAOYSA-N 235.331 2.513 0 40 BFAB N[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1 70501263 GJWFOQIKVTZEPM-VHSXEESVSA-N 215.300 2.548 0 40 BFAB COc1ccccc1[C@@H]1CC[C@@H](C)CN1 70632594 ZUBBWBJBJRJFEF-PWSUYJOCSA-N 205.301 2.756 0 40 BFAB in-vitro Cc1ccc([C@@H](O)C(F)(F)F)cc1F 82503829 FVYSVHJFPHBIBP-MRVPVSSYSA-N 208.154 2.730 0 40 BFAB C[C@@H]1CC(=O)c2c(ccc3ncccc23)O1 85399847 AWIQGJOZINCUAE-MRVPVSSYSA-N 213.236 2.589 0 40 BFAB C[C@@H](N)c1csc(NC(=O)OC(C)(C)C)n1 85873120 SFRFBHQWFMYNBL-ZCFIWIBFSA-N 243.332 2.510 0 40 BFAB CC[C@@H]1CCCCCN1C(=O)[C@@H]1CCCOC1 89948269 JAZYCAXUYWLUOE-CHWSQXEVSA-N 239.359 2.594 0 40 BFAB CSc1ncc(C(F)(F)F)c(Cl)n1 90557040 GUSJNAFRAQDVEV-UHFFFAOYSA-N 228.626 2.871 0 40 BFAB COc1c(C)cc([C@@H](O)c2ccoc2)cc1C 95727519 SEHSAKKLDUFVNF-ZDUSSCGKSA-N 232.279 2.987 0 40 BFAB c1sc(CC2CC2)nc1C1CCOCC1 96009358 KCOMAQPABTYZSI-UHFFFAOYSA-N 223.341 2.990 0 40 BFAB C[C@@H](O[C@@H]1CCNC1)c1ccccc1Cl 96529840 UETHPUBDRLDRHJ-NXEZZACHSA-N 225.719 2.780 0 40 BFAB c1ccc(CN[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 100046895 DOMDOUHZPYAOCT-MGPQQGTHSA-N 201.313 2.965 0 40 BFAB Clc1cc(Cl)c2c(c1)[C@@H]1O[C@H]1C2 100235019 SBSVJEMBNBKHOX-IUCAKERBSA-N 201.052 2.989 0 40 BFAB COC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 102412980 RJENIKZEKAIMQS-WWAQEKKBSA-N 228.719 2.737 0 40 BFAB Cc1ccc([C@H](NN)c2cccc(C)c2)cc1 161804658 DYXKAPYWSJKTAD-HNNXBMFYSA-N 226.323 2.856 0 40 BFAB CCCC[C@H]1C[C@H](OCCC(C)C)CN1 217859934 UJINNRHMHFIPSU-STQMWFEESA-N 213.365 2.970 0 40 BFAB COc1ccc([C@H](C)N[C@@H]2CCCC[C@@H]2N)cc1 218868700 VQTRNMZJWYDLFO-TUKIKUTGSA-N 248.370 2.616 0 40 BFAB CCc1ccc(C=O)n1-c1cccc(C)n1 225302388 FNPYYMVJCHFCGN-UHFFFAOYSA-N 214.268 2.556 0 40 BFAB COc1ccccc1CNc1ncnc(C)c1F 226314095 WHFCUHXHHKGGDX-UHFFFAOYSA-N 247.273 2.545 0 40 BFAB CCOC(=O)c1cc(Cl)cnc1OC(C)C 642814498 JRLVAGNVFMBSRM-UHFFFAOYSA-N 243.690 2.699 0 40 BFAB CN(C)c1nc2c(Cl)cccc2cc1C=O 685936814 AQOSULXQSHUGLR-UHFFFAOYSA-N 234.686 2.767 0 40 BFAB CC(C)(C)OC(=O)OCCOCC(F)(F)F 1083809146 MRCQVXYWHVAXQS-UHFFFAOYSA-N 244.209 2.517 0 40 BFAB CCOc1cccc(=O)c2c(C)n(C)c(C)c12 141877 XXPKVYVZDYHEMD-UHFFFAOYSA-N 231.295 2.554 0 40 BFAB S=c1nc(N2CCCCC2)ss1 1616964 NLBWZAQXNUOUOW-UHFFFAOYSA-N 218.372 2.924 0 40 BFAB C[C@H]1CC=C[C@@H](N2C(=O)c3ccccc3C2=O)C1 1700415 UHPLRASGLXFKSY-WDEREUQCSA-N 241.290 2.637 0 40 BFAB Oc1ccc2c(c1)oc1cc(O)ccc12 4009107 CITXJRIERIBQDR-UHFFFAOYSA-N 200.193 2.997 0 40 BFAB biogenic CC[C@H](C)NC(=O)Nc1ccccc1OC 5468558 PEHHDRFSEAJZTO-VIFPVBQESA-N 222.288 2.615 0 40 BFAB C[C@@H]1CCc2sc(C(=O)NC3CC3)cc2C1 8077196 PWVDVPGEMCFCOQ-MRVPVSSYSA-N 235.352 2.765 0 40 BFAB CCOC(=O)c1cnoc1-c1ccccc1 8700080 FZUVKCRBONBOJD-UHFFFAOYSA-N 217.224 2.518 0 40 BFAB CC[C@H](Nc1ccccc1Cl)C(=O)O 8730610 ZJEIYEZMOLJSPL-QMMMGPOBSA-N 213.664 2.615 0 40 BFAB COc1cccc(-n2nc(C(C)(C)C)cc2N)c1 11919422 TZYUZDSVTMPVIW-UHFFFAOYSA-N 245.326 2.761 0 40 BFAB O=C(Nc1cccnc1)c1cc(F)cc(F)c1 12485555 DLRLLFLHKVWOFJ-UHFFFAOYSA-N 234.205 2.612 0 40 BFAB CCN(CCC(=O)O)c1ccc(Cl)cc1 20133829 UXARLZBPISLLKG-UHFFFAOYSA-N 227.691 2.641 0 40 BFAB CC[C@@H]1CCCCN1CC[C@@H]1CCCCN1 20180478 JPRFWBGCRQMGHE-UONOGXRCSA-N 224.392 2.783 0 40 BFAB Cc1ccc(C)c2nc(C(=O)O)ccc12 26474863 DFGDXKUTIPXHNM-UHFFFAOYSA-N 201.225 2.550 0 40 BFAB CONC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 29860555 QSRBTFRFJHGHFN-UHFFFAOYSA-N 246.310 2.757 0 40 BFAB S=c1[nH]c(=S)n(-c2ccccc2)[nH]1 30836216 OHTWYWBEOQAXEQ-UHFFFAOYSA-N 209.299 2.592 0 40 BFAB COc1cccc(NC(=O)CC[C@H]2CCCO2)c1 31872423 ZXJQEACQKIIIMX-GFCCVEGCSA-N 249.310 2.593 0 40 BFAB Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1 31990552 AGZGTCUSGGVSFV-UHFFFAOYSA-N 227.242 2.951 0 40 BFAB in-vitro C[C@H]1C[C@H]1C(=O)NC1(c2ccccc2)CCC1 32841209 NWKRUTIFHKDZNJ-WCQYABFASA-N 229.323 2.838 0 40 BFAB NCCOc1cccc(OCc2ccccc2)c1 38327834 LIOIJJQQKDMYBJ-UHFFFAOYSA-N 243.306 2.603 0 40 BFAB CNC(=O)[C@H](C)Sc1ccccc1Cl 39982340 GQOYWHNFLQNMSV-ZETCQYMHSA-N 229.732 2.567 0 40 BFAB Cc1nnc(SCc2c(C)noc2C)s1 40456985 JZNXVVDVEDMPID-UHFFFAOYSA-N 241.341 2.744 0 40 BFAB CC(=O)NC1(c2cccc3ccccc23)CC1 41531649 VFFLWKCFKRSULL-UHFFFAOYSA-N 225.291 2.965 0 40 BFAB COCC(=O)c1ccc2ccccc2c1 43504935 RRAZLMXXGAJIJL-UHFFFAOYSA-N 200.237 2.669 0 40 BFAB Nc1c(C(F)(F)F)cnc(Cl)c1Cl 43828033 RKSOZYZBQVGYIE-UHFFFAOYSA-N 231.004 2.989 0 40 BFAB O[C@H](c1cncc(F)c1)C1CCCCC1 49577111 MVIKMCVCOLTJTA-LBPRGKRZSA-N 209.264 2.834 0 40 BFAB in-vitro COC(=O)CCC(=O)c1ccc(Cl)s1 49822642 YPYBIPWJLZMOOS-UHFFFAOYSA-N 232.688 2.537 0 40 BFAB Cc1cccc(N[C@@H](C)C(=O)N2CCCC2)c1C 57324365 YJWUBECXPTZYFM-ZDUSSCGKSA-N 246.354 2.726 0 40 BFAB NC/C=C/c1ccc(C(F)(F)F)cc1 69050280 CTIYUOYEVPWKCY-OWOJBTEDSA-N 201.191 2.677 0 40 BFAB Cc1cc([C@H](C)C(=O)O)ccc1Br 84551539 CAYOKTLIKNTVPA-ZETCQYMHSA-N 243.100 2.946 0 40 BFAB Cc1cc(OC(=O)NC(C)C)ccc1F 91690258 XNGBVPRUOMLOLY-UHFFFAOYSA-N 211.236 2.631 0 40 BFAB Cn1cc(-c2csc(CC(F)(F)F)n2)cn1 95963479 OQFVJYMRFMMURW-UHFFFAOYSA-N 247.245 2.648 0 40 BFAB CCSCC[C@H](C)NC(=O)C[C@@H]1C=CCC1 96433057 FLDPAJHHNSCHFE-NWDGAFQWSA-N 241.400 2.991 0 40 BFAB CC(=O)c1ccc(F)cc1NC(=O)C1CC=CC1 97107026 AKKDZSUTGDCWFT-UHFFFAOYSA-N 247.269 2.933 0 40 BFAB C=Cc1cccc(I)c1 98210429 UENCBLICVDCSAB-UHFFFAOYSA-N 230.048 2.934 0 40 BFAB in-vitro C[C@@H]1CCCC[C@@H]1CNC[C@@H](O)c1ccncc1 195559905 UYVVXTRABFLPBP-BPLDGKMQSA-N 248.370 2.531 0 40 BFAB Nc1ccccc1SCc1cn2c(n1)CCC2 218892620 OBJXYADEMLVIKD-UHFFFAOYSA-N 245.351 2.704 0 40 BFAB FC(F)n1cc(OCc2ccccc2)cn1 1889131801 HWXBJOCUFMPLPE-UHFFFAOYSA-N 224.210 2.857 0 40 BFAB O=C(NC1CCCCCCC1)c1ccncc1 43194 PJXXQAULJDUGLG-UHFFFAOYSA-N 232.327 2.924 0 40 BFAB c1ccc([C@@H]2CC(c3cccnc3)=NO2)cc1 64733 SYCIBYJUPBHOCG-AWEZNQCLSA-N 224.263 2.947 0 40 BFAB Cc1ccc(C(C)(C)O)c(CN(C)C)c1C 1662357 FBUNMLVLZNWHAQ-UHFFFAOYSA-N 221.344 2.592 0 40 BFAB CC(C)CC(CC(C)C)OP(=O)(O)O 1676569 ZTZKGWZFTOOGKT-UHFFFAOYSA-N 224.237 2.557 0 40 BFAB Cc1ccc(C(=O)[C@@H]2CCC[C@H]2C(=O)O)cc1 2574455 VWUABZLEGQFYQH-VXGBXAGGSA-N 232.279 2.679 0 40 BFAB Cc1ccc(C(=O)N(C)c2ccc(O)cc2)cc1 4206552 ZAXDQTZNODCHKM-UHFFFAOYSA-N 241.290 2.977 0 40 BFAB in-vitro O=C(O)CCCNc1nc2ccccc2s1 4218207 WSZSGKXXFYVFAU-UHFFFAOYSA-N 236.296 2.573 0 40 BFAB in-vitro Cc1nnc(COc2ccc(Cl)cc2)o1 4512879 HHPJMBNJGNAJAN-UHFFFAOYSA-N 224.647 2.610 0 40 BFAB O=C(O)[C@H](c1ccccc1)[C@@H](O)[C@H]1CC=CCC1 4683100 UUEPQVJAAMNTBT-MJBXVCDLSA-N 246.306 2.572 0 40 BFAB CCCC(=O)O[C@H]1CCc2ccccc2C1 5523355 SKWRQMBTIMSKGJ-ZDUSSCGKSA-N 218.296 2.887 0 40 BFAB O=C(NCc1ccccc1Cl)c1cccnc1 6222386 CMVTYGCKZFMKMN-UHFFFAOYSA-N 246.697 2.665 0 40 BFAB O=P1(NCc2ccccc2)CCCC1 12175739 ACLMIPVTNYCGKF-UHFFFAOYSA-N 209.229 2.848 0 40 BFAB O=C(CCc1ccco1)N1CCc2ccccc21 12884384 MPHAJWLHMDRTKR-UHFFFAOYSA-N 241.290 2.802 0 40 BFAB Clc1cccc(CO[C@H]2CCCNC2)c1 14631591 WTCCWMVCGZBJMQ-LBPRGKRZSA-N 225.719 2.609 0 40 BFAB in-vitro COC(=O)[C@H](C)Oc1cccc(Cl)c1Cl 16973627 SFNXXHCNMGZERC-LURJTMIESA-N 249.093 2.934 0 40 BFAB C[C@@H]1CN2CCC[C@@H]2CN1C[C@H]1CC=CCC1 19575044 PPTRKUGASCANCS-QLFBSQMISA-N 234.387 2.511 0 40 BFAB CCC(=O)CC(=O)c1ccc(C)cc1C 20375876 NUQLBLXUKNFKGL-UHFFFAOYSA-N 204.269 2.855 0 40 BFAB OC1=Nc2n[nH]cc2[C@@H](c2ccccc2)SC1 20729312 PITKWDAXRHLEFB-LLVKDONJSA-N 245.307 2.834 0 40 BFAB CCN1CCn2c(nc3cccc(Cl)c32)C1 21799892 XWSNHARAFDBUQK-UHFFFAOYSA-N 235.718 2.525 0 40 BFAB Cc1ccsc1C(=O)Nc1ccccn1 21893784 BFPRWLBOPRSWCL-UHFFFAOYSA-N 218.281 2.704 0 40 BFAB Cc1ccc(SCc2nnc(S)o2)cc1 26469348 YOCZBNMLOUYPSD-UHFFFAOYSA-N 238.337 2.959 0 40 BFAB NC(=O)c1ccc(-c2nccc3occc23)cc1 32534934 IHMNZYAYRXLTJR-UHFFFAOYSA-N 238.246 2.594 0 40 BFAB CC(=O)Nc1cccc(NC(=O)CC(C)C)c1C 32753695 KLBVJPNULGANOO-UHFFFAOYSA-N 248.326 2.938 0 40 BFAB C[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccccn1 32787675 YDVCNRVXMIOIGS-DGCLKSJQSA-N 232.327 2.732 0 40 BFAB C[C@H]1CCCC[C@H]1N(C)C(=O)c1cccnc1 32787714 WRSZZFVMWLTOCR-WCQYABFASA-N 232.327 2.732 0 40 BFAB CCOc1cc(CNC)ccc1O[C@H](C)CC 34815693 XPEJPNNLURLDDU-LLVKDONJSA-N 237.343 2.982 0 40 BFAB Cc1ccc(CN[C@@H](C)CN2CCCCC2)cc1 35258861 WIGVBXALBHXWNO-HNNXBMFYSA-N 246.398 2.959 0 40 BFAB O[C@H]1CCCOc2cc(Br)ccc21 37180244 AKQLFBDVHAOWOY-VIFPVBQESA-N 243.100 2.655 0 40 BFAB in-vitro O=C(c1ccoc1)C(Cl)(Cl)Cl 39055599 HPYDKUQEBLZYCA-UHFFFAOYSA-N 213.447 2.833 0 40 BFAB O=C(O)CC1(c2cccc(Cl)c2)CC1 41225171 YKLALWINLKLZHZ-UHFFFAOYSA-N 210.660 2.846 0 40 BFAB C[C@@H]1CCCC[C@@H]1NCCC(=O)OC(C)(C)C 47218998 FEWBONHQPJCKJQ-NEPJUHHUSA-N 241.375 2.887 0 40 BFAB Cc1nc2cc(C(=O)N3CCCCC3)ccc2o1 49676920 FCQGBQYPXMVDOJ-UHFFFAOYSA-N 244.294 2.762 0 40 BFAB CCCn1c(C=O)nc2ccc(Cl)cc21 53944123 BRTKPANORLRFAW-UHFFFAOYSA-N 222.675 2.912 0 40 BFAB CCCn1c2ccccc2n2c(=S)[nH]nc12 57326658 MYSMILIWXXJXSQ-UHFFFAOYSA-N 232.312 2.757 0 40 BFAB O=C(O)[C@H](Cc1cccc(O)c1)c1ccccc1 58001475 FBLXBLMCMACDSZ-CQSZACIVSA-N 242.274 2.803 0 40 BFAB COCC(=O)N[C@H](CC(C)C)c1ccccc1 70242940 BBRXKTRBEUVACE-CYBMUJFWSA-N 235.327 2.536 0 40 BFAB Cc1cc(NC(=O)C(C)(C)c2ccccc2)no1 74642672 SZXXLIFHWVVYCY-UHFFFAOYSA-N 244.294 2.899 0 40 BFAB Cc1cccc(C)c1NC(=O)[C@@H]1CCCN(C)C1 82322992 VVOFTRMPKOOCAH-CYBMUJFWSA-N 246.354 2.584 0 40 BFAB Cc1cc([C@@H](C)C(=O)O)ccc1Br 84551538 CAYOKTLIKNTVPA-SSDOTTSWSA-N 243.100 2.946 0 40 BFAB COc1ccccc1[C@@H](C)Nc1nccc(C)n1 95398895 GBXJETXKRFMMNG-LLVKDONJSA-N 243.310 2.967 0 40 BFAB CC(=O)c1cc(C(=O)OCCC2CCC2)n(C)c1 96501698 SBJSFJJMNWULCS-UHFFFAOYSA-N 249.310 2.575 0 40 BFAB Clc1ccccc1-c1nccn1C[C@@H]1CO1 96511328 SAYSMGIDENRNFC-SECBINFHSA-N 234.686 2.602 0 40 BFAB Cc1nc(C)n(CCc2ccccc2Cl)n1 98019001 LOTPDFOXCRLSJT-UHFFFAOYSA-N 235.718 2.791 0 40 BFAB O=c1[nH]c2cccc(C(F)(F)F)c2cc1F 98175043 FYLCPBXMURPJSB-UHFFFAOYSA-N 231.148 2.686 0 40 BFAB Cn1ncc2cc(Cl)cc(Br)c21 213190817 MELWJDBXYFTDAY-UHFFFAOYSA-N 245.507 2.989 0 40 BFAB Cn1nc(OCC2CCCC2)c2cc(N)ccc21 225771182 CRQASTRVWPTZAX-UHFFFAOYSA-N 245.326 2.725 0 40 BFAB COC(=O)CCC(=O)c1cc(C)ccc1Cl 309518330 WRUVTITVSRCHMW-UHFFFAOYSA-N 240.686 2.784 0 40 BFAB CC(=O)Nc1c(C(C)=O)oc2ccccc12 54786 KNEXUVWFSJOVDU-UHFFFAOYSA-N 217.224 2.594 0 40 BFAB CCCNC(=O)c1ccc2[nH]c(C)c(C)c2c1 1907226 ORGSSUKWQGWDNB-UHFFFAOYSA-N 230.311 2.925 0 40 BFAB Cc1cccc(N[C@H]2OC(=O)c3ccccc32)n1 4384846 QZXQEXUGCBDFKK-ZDUSSCGKSA-N 240.262 2.671 0 40 BFAB COC(=O)c1c2c(nc3ccccc13)CCC2 4917604 LWOHMJBVZWMYON-UHFFFAOYSA-N 227.263 2.510 0 40 BFAB CCc1nc(N)c2oc3ccccc3c2n1 5477538 VIAWMAISBXFQDT-UHFFFAOYSA-N 213.240 2.521 0 40 BFAB Cc1cccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 13549269 PSKSWJCLXCHTTR-CHWSQXEVSA-N 243.306 2.675 0 40 BFAB COC(=O)c1cccc(NC(=O)CC(C)(C)C)c1 14076822 NSVKKYRNKADULA-UHFFFAOYSA-N 249.310 2.848 0 40 BFAB CC[C@H](C)CNCc1ccc(OC)cc1 20088431 TZLCESIQXIFOIK-NSHDSACASA-N 207.317 2.831 0 40 BFAB CC(C)CC(=O)Nc1ccc(N2CCCC2)nc1 20371709 GFDGAQMUZDDIDW-UHFFFAOYSA-N 247.342 2.666 0 40 BFAB CC(C)SCc1ccc(C(=O)O)o1 20395186 AOTYMOMYSDXIQT-UHFFFAOYSA-N 200.259 2.619 0 40 BFAB O=C(C[C@H]1C=CCC1)Nc1nnc(C2CC2)s1 22738561 ICXQXGYIUSTEOG-QMMMGPOBSA-N 249.339 2.710 0 40 BFAB Cc1n[nH]c2nc(-c3ccccc3)nc(C)c12 28444101 XQPCOAAVYHMMPJ-UHFFFAOYSA-N 224.267 2.637 0 40 BFAB in-vitro O[C@H](CNCc1ccccc1)c1cccs1 32089713 NBWPQIFSGTYSCZ-GFCCVEGCSA-N 233.336 2.571 0 40 BFAB Clc1cccc(Cl)c1CO[C@H]1CCNC1 36142142 BJHZHQLWJUFPIN-QMMMGPOBSA-N 246.137 2.872 0 40 BFAB CC(C)n1c(C(=O)O)cc2ccccc21 38996894 NBOUNDSWCDROJG-UHFFFAOYSA-N 203.241 2.920 0 40 BFAB O=Cc1ccc(OCC(F)F)c(Cl)c1 43488656 HRNMUQCAGGUNSY-UHFFFAOYSA-N 220.602 2.796 0 40 BFAB CC[C@@H]1CCCN(Cc2c(C)noc2C)C1 48058084 WDEKSPDYYDQYEJ-GFCCVEGCSA-N 222.332 2.913 0 40 BFAB CC(C)CN(CC[C@H]1CCCNC1)CC(C)C 51919109 BGOPRNHENXAZHQ-OAHLLOKOSA-N 240.435 2.990 0 40 BFAB O=c1[nH]c(Cc2cccs2)nc2ccsc12 53847602 RTGDGMQQXYUHCN-UHFFFAOYSA-N 248.332 2.637 0 40 BFAB Cc1ccc(F)cc1NCc1ncccn1 54458998 VDCSVUVPUWSVJQ-UHFFFAOYSA-N 217.247 2.536 0 40 BFAB O=C(Oc1ccccc1Cl)C1=COCCC1 71886224 PYGIHGQFPBRZBO-UHFFFAOYSA-N 238.670 2.940 0 40 BFAB FC(F)(F)c1nc(Br)cs1 72193261 JWIFAKPFCFVBQD-UHFFFAOYSA-N 232.024 2.924 0 40 BFAB in-vitro CC(C)[C@H]1CN(C(=O)C(C)(C)C)CCS1 76067377 GQBWFTNWBIJZIH-SNVBAGLBSA-N 229.389 2.633 0 40 BFAB CON[C@@H](C)c1cccc(C(F)(F)F)c1 82128548 CNDPWHDDYPVLAU-ZETCQYMHSA-N 219.206 2.917 0 40 BFAB NC1(Cc2cccnc2)CCC(F)(F)CC1 83351161 OCWMYCJLMXGXIX-UHFFFAOYSA-N 226.270 2.531 0 40 BFAB CC(C)COC[C@@H](C)NC(=O)C1(C)CCCC1 84544396 ULQBNBLVAZBVJR-GFCCVEGCSA-N 241.375 2.744 0 40 BFAB CCC[C@H]1CC(=O)CCN1C(=O)OC(C)(C)C 91361822 BWQSLEABTTWFLD-JTQLQIEISA-N 241.331 2.755 0 40 BFAB in-vitro COc1cc(C(=O)O)cc(OC)c1C(C)C 95347853 XMENJIQNZZREBQ-UHFFFAOYSA-N 224.256 2.525 0 40 BFAB in-vitro COc1cc(OC2CCCC2)c(C(=O)O)s1 96510883 CLQDGIIYFPMZJO-UHFFFAOYSA-N 242.296 2.776 0 40 BFAB CCOC(=O)/C=C(\C)Nc1ccc(OC)cc1 100255499 VCDKJCZDQCVIMW-MDZDMXLPSA-N 235.283 2.574 0 40 BFAB Cc1ccc(-c2cc3n(n2)CCCN3)cc1 107393530 QFJNKGSVIUYYQT-UHFFFAOYSA-N 213.284 2.674 0 40 BFAB C[C@H]1C[C@H](NC[C@H](C)C[C@@H](C)O)CC[C@H]1C 195565646 IQXHOTIPBGZYRD-RKQHYHRCSA-N 227.392 2.808 0 40 BFAB CC(C)N(C)C(=O)N(C)C[C@H]1CC=CCC1 195577645 KAIWYPANPHSZBB-LBPRGKRZSA-N 224.348 2.735 0 40 BFAB C[Si](C)(C)c1cc(Cl)nc(Cl)c1 196034372 FXVPTQSPJTWVOL-UHFFFAOYSA-N 220.175 2.934 0 40 BFAB COc1cc(Cl)cc(C(=O)O)c1Cl 197128125 ANGUIHXRWIGPNN-UHFFFAOYSA-N 221.039 2.700 0 40 BFAB Fc1ccc(N2CCN[C@@H]3CCCC[C@H]32)cc1 218832800 BRBMKSIZGUKRRE-ZIAGYGMSSA-N 234.318 2.547 0 40 BFAB O=C(O)c1cncc(Cc2cccc(F)c2)c1 257198132 UGLKXFLOLGWOME-UHFFFAOYSA-N 231.226 2.510 0 40 BFAB CC(=O)NCCCc1cc2ccccc2o1 390831097 POVRPBFLLYPSMN-UHFFFAOYSA-N 217.268 2.502 0 40 BFAB C[C@H]1C(=O)C(C)(C)C(=O)O[C@H]1c1ccccc1 247229 ALAYLHOMFJAZKV-MWLCHTKSSA-N 232.279 2.516 0 40 BFAB CC(C)(CCC(=O)O)C(=O)Nc1ccccc1 345906 BXIHJIUNVGBGPD-UHFFFAOYSA-N 235.283 2.516 0 40 BFAB C[C@H](Cc1cccc2ccccc12)C(N)=O 1646349 TWOIEDIZNVBPEY-SNVBAGLBSA-N 213.280 2.504 0 40 BFAB CCCCNC(=O)Nc1cccc(C(C)=O)c1 2585721 WDKIFLWAYFIUQU-UHFFFAOYSA-N 234.299 2.811 0 40 BFAB O=C(Nc1ccccc1)n1cc(Cl)cn1 4616800 LOLBOBNEWUKRIT-UHFFFAOYSA-N 221.647 2.617 0 40 BFAB CC(C)(C)NCc1cc2ccccc2nc1O 8579935 HQMLHUIIWDZWGJ-UHFFFAOYSA-N 230.311 2.829 0 40 BFAB COCCCCOc1c(N)cccc1Cl 8730302 ZNYXCIJPGPJLRG-UHFFFAOYSA-N 229.707 2.728 0 40 BFAB Cc1ccc2sc(N3CCOCC3)nc2c1C 12230070 WDDBRAIOQOCWMM-UHFFFAOYSA-N 248.351 2.750 0 40 BFAB Cc1ccc(/N=c2\ssnc2Cl)nc1 12462468 LBEWEPZNDKOVBC-FLIBITNWSA-N 243.744 2.794 0 40 BFAB Cc1n[nH]c(S[C@@H](C)c2ccccc2)n1 12944799 HOFPCLKZCUQAQM-QMMMGPOBSA-N 219.313 2.966 0 40 BFAB O=C(O)c1cccnc1NCc1ccc(F)cc1 13090632 QDHRLKYXEBWCSE-UHFFFAOYSA-N 246.241 2.531 0 40 BFAB CCCCNC(=S)N1CCCC[C@H]1CC 13829373 JGGWKVCWFHKNCV-LLVKDONJSA-N 228.405 2.926 0 40 BFAB CC[C@@H](C)NC(=O)CCCOc1ccccc1 14399897 ASPQNHKOEKHVLH-GFCCVEGCSA-N 235.327 2.760 0 40 BFAB Nc1cccc(CC(=O)Nc2cccc(F)c2)c1 20186180 GQMPCTMYRLPCPT-UHFFFAOYSA-N 244.269 2.589 0 40 BFAB CC(C)(C)[C@@H]1CCCC[C@@H]1NCCCO 20187807 DLNQVQMDNGVXLU-NEPJUHHUSA-N 213.365 2.563 0 40 BFAB COc1cccc(-c2ncc(C(=O)O)s2)c1 20439997 MRCKYXUAIXVAJL-UHFFFAOYSA-N 235.264 2.517 0 40 BFAB COc1ccc(-c2ccc(C=O)s2)cn1 22200962 UJYNHRIZVBDNSC-UHFFFAOYSA-N 219.265 2.631 0 40 BFAB O=C(O)c1ccc2ccc(Cl)nc2c1 26507221 JMYHAUFFRDHDQS-UHFFFAOYSA-N 207.616 2.586 0 40 BFAB O=C(O)CCCc1ncc(-c2ccccc2)o1 32627609 LGYLNERWPKVLBR-UHFFFAOYSA-N 231.251 2.749 0 40 BFAB in-vitro CCOC(=O)CCCCCC(=O)C(C)C 34291207 MDUYTVHVDUOISU-UHFFFAOYSA-N 214.305 2.725 0 40 BFAB CN(CCCCCCO)Cc1ccccc1 34476398 QQSRMMLFVTUJEG-UHFFFAOYSA-N 221.344 2.671 0 40 BFAB Cc1ccc(CC[C@H](N)C(F)(F)F)cc1 36456576 UAPPNNNMEOPBPN-JTQLQIEISA-N 217.234 2.817 0 40 BFAB Oc1cccc(-c2nccc(Cl)n2)c1 36882209 GVTMJBXTLFDTDB-UHFFFAOYSA-N 206.632 2.503 0 40 BFAB in-vitro C[C@@H](Cc1cccs1)NC(=O)c1ccccn1 38565722 POJGQEABNBTKRD-JTQLQIEISA-N 246.335 2.504 0 40 BFAB CC(C)NC(=O)N1CC[C@@H](c2ccccc2)C1 38567316 SENRZAURNKMSJK-CYBMUJFWSA-N 232.327 2.594 0 40 BFAB Cc1cc(Cl)ccc1OC[C@H]1CCNC1 38580788 PWALMSYPZVPBBT-JTQLQIEISA-N 225.719 2.637 0 40 BFAB c1ccc2sc(N3CCCC3)nc2c1 39149306 IJFFUAQBZZXGLE-UHFFFAOYSA-N 204.298 2.897 0 40 BFAB in-vitro N[C@@H](Cc1cccc(O)c1)c1ccccc1 39233823 OJFWQWXBRSFWSM-AWEZNQCLSA-N 213.280 2.635 0 40 BFAB in-vitro CCOC(=O)CCC(=O)c1ccc(F)c(C)c1 43214323 JLCSMNIIZRHFAM-UHFFFAOYSA-N 238.258 2.660 0 40 BFAB CCc1ccc(C(=O)[C@H]2CC[C@@H](C(=O)O)C2)cc1 43878967 XSRSDDKMGNGPAJ-QWHCGFSZSA-N 246.306 2.933 0 40 BFAB CC(C)(C)NC(=O)c1cnc(C(C)(C)C)s1 49032768 DJUSYGYQGXWLFC-UHFFFAOYSA-N 240.372 2.969 0 40 BFAB O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCC1 65520496 WLWKTSRHSNINOD-UHFFFAOYSA-N 245.253 2.932 0 40 BFAB CCCCN[C@@H](C)[C@@H](C)n1cc(C)cn1 69845102 YYMIBHHLIXYWTA-NWDGAFQWSA-N 209.337 2.531 0 40 BFAB CC[C@H](NC)[C@@H](NC(=O)OC(C)(C)C)C(C)C 72207630 RHJTUWWWRIQKAM-QWRGUYRKSA-N 244.379 2.534 0 40 BFAB c1cc(Nc2nccs2)nc([C@H]2CCCN2)c1 72376489 FPVBOQXCTGMMPF-SECBINFHSA-N 246.339 2.706 0 40 BFAB O=C(Cc1ccccc1)Nc1ccnc(Cl)c1 75283153 BWMQWBAZXGLCAW-UHFFFAOYSA-N 246.697 2.916 0 40 BFAB FC(F)(F)c1ccnc(N2CCSCC2)c1 80772830 AOVLUAPRGYVARG-UHFFFAOYSA-N 248.273 2.654 0 40 BFAB CCCOc1c(Cl)cc(C(N)=O)cc1Cl 82725857 HAGHIGJFROVAEQ-UHFFFAOYSA-N 248.109 2.881 0 40 BFAB Cc1cc2c(o1)C[C@@H](C(F)(F)F)C[C@@H]2O 85399179 HIAANWKGTVOURW-XPUUQOCRSA-N 220.190 2.746 0 40 BFAB O=C(C[C@H]1CCc2ccccc21)N1CCCC1 89858075 XBAPVZTXDSUQAJ-CYBMUJFWSA-N 229.323 2.729 0 40 BFAB COc1ccnc(NC(=O)c2cscc2C)c1 89985190 XUYPALKKYSUDEO-UHFFFAOYSA-N 248.307 2.712 0 40 BFAB Cc1cc(Cl)cc(Cl)c1NC(N)=S 95725633 VNDOLXOJGVRXCZ-UHFFFAOYSA-N 235.139 2.957 0 40 BFAB C[C@H]1CCCN(Cc2cccc(C=O)c2)C1 95738628 GPHCWOBTESBVSS-LBPRGKRZSA-N 217.312 2.731 0 40 BFAB CC1(C)C(=O)Nc2cc(C(F)(F)F)ccc21 96028822 OZMLWDMCCWTVPT-UHFFFAOYSA-N 229.201 2.935 0 40 BFAB C[C@H](NC(=O)c1ccnc(F)c1F)C(C)(C)C 97867035 PBBATDZEGATSFY-ZETCQYMHSA-N 242.269 2.524 0 40 BFAB CC1(C)COC(CC(=O)c2ccccc2F)=N1 101134523 FFJAYMJPIXZMNT-UHFFFAOYSA-N 235.258 2.606 0 40 BFAB Cc1nc(CCN[C@H]2C[C@H]3CC[C@H]2C3)cs1 108158482 UMNRAPCEEAKOSX-GVXVVHGQSA-N 236.384 2.772 0 40 BFAB C[C@H]1CCc2c(nn(C3CCCCC3)c2O)N1 110757661 ASNXPFHVNKFGLH-VIFPVBQESA-N 235.331 2.841 0 40 BFAB CC(C)c1cnn(-c2cccc(F)c2)c1N 221325694 CNPCHTHUVOQYDJ-UHFFFAOYSA-N 219.263 2.717 0 40 BFAB O=C(Cc1ccc(F)cc1)N1C2CCC1CC2 515357771 TWWABIOBURHBEQ-UHFFFAOYSA-N 233.286 2.522 0 40 BFAB FC(F)(F)c1ccnc(OC[C@@H]2CCCO2)c1 585654033 BKCIKXNUVZQWOL-VIFPVBQESA-N 247.216 2.658 0 40 BFAB CCOC(=O)[C@@H]1[C@H]2c3cccc4c3C(=C[C@H]12)CC4 393389 LWENPOAPZKOYQS-QEJZJMRPSA-N 240.302 2.923 0 40 BFAB CC[C@@]1(O)c2ccccc2-c2ncccc21 499672 ZGZXMNRYVIGLJN-CQSZACIVSA-N 211.264 2.708 0 40 BFAB CSC(=S)N(C=O)c1ccc(C)cc1 1447153 FTTSTPFMOHURTK-UHFFFAOYSA-N 225.338 2.606 0 40 BFAB CCN[C@@H]1C[C@@H](C(C)(C)NCC)CC=C1C 1635145 KGDIPINWNMVFFO-QWHCGFSZSA-N 224.392 2.709 0 40 BFAB FC(F)(F)c1cccc(NC2=NCCO2)c1 1673730 OAKWWNDPPUKABR-UHFFFAOYSA-N 230.189 2.504 0 40 BFAB O=CNc1ccc(Cl)c(C(F)(F)F)c1 1684603 JCGSMHPPPSDAKF-UHFFFAOYSA-N 223.581 2.927 0 40 BFAB in-vitro COC(=O)c1ccc(C)c(-c2ccc(C=O)o2)c1 5754139 YTSKOTVACPOLMQ-UHFFFAOYSA-N 244.246 2.854 0 40 BFAB c1ccc(C2=N[C@@H]3CCCC[C@H]3O2)cc1 6574936 IIERPKDURDRYMZ-VXGBXAGGSA-N 201.269 2.775 0 40 BFAB CC[C@H]1CCc2c(c3ccccc3[nH]c2=O)O1 8665927 AYHZSOKNJRWFHZ-VIFPVBQESA-N 229.279 2.632 0 40 BFAB O=Cc1cnc(Nc2ccc(Cl)cc2)nc1 8730958 WUDWPZUJYJLWMZ-UHFFFAOYSA-N 233.658 2.686 0 40 BFAB Cc1cnc(C(=O)Nc2ccc(Cl)cc2)cn1 14429364 OHZYOLZPKOUVLZ-UHFFFAOYSA-N 247.685 2.691 0 40 BFAB CC(C)c1nnc(COc2cccc(C=O)c2)o1 15418560 ZYAIVHJNWFZGHZ-UHFFFAOYSA-N 246.266 2.585 0 40 BFAB CCOc1cc(CN)ccc1O[C@@H](C)CC 20470840 OQSQRQLQFMDIKW-JTQLQIEISA-N 223.316 2.721 0 40 BFAB CCc1nnc(-c2cc3ccccc3[nH]2)o1 26421446 SQIKEZYXONLFHL-UHFFFAOYSA-N 213.240 2.780 0 40 BFAB C[C@H]1CCCN(C(=O)C[C@@H]2C=CCC2)C1 32747702 PDQUUMDIZMXOOE-NWDGAFQWSA-N 207.317 2.601 0 40 BFAB COc1ccc2c(c1)CCCN2C(=O)[C@H]1C[C@H]1C 32848578 MTOJIVWCQPDXOE-MFKMUULPSA-N 245.322 2.630 0 40 BFAB CCNc1ccc(NC(=O)C(C)C)cc1 35036583 BVFXGAIVOJATPB-UHFFFAOYSA-N 206.289 2.713 0 40 BFAB Cc1cc(C(=O)O)ccc1OCC(C)C 36194061 PMPBUNFRMWMKBU-UHFFFAOYSA-N 208.257 2.728 0 40 BFAB c1ccc(-c2nc([C@H]3CCCCN3)no2)cc1 41065909 WBJUCZZNHYPVMB-LLVKDONJSA-N 229.283 2.551 0 40 BFAB CN(Cc1nc(C2CC2)no1)CC1CCCCC1 44715342 XODOPVGSPAURFB-UHFFFAOYSA-N 249.358 2.959 0 40 BFAB Cc1cc(N)nc(SCCc2ccccc2)n1 48314658 RSXQGHLOVQVRQC-UHFFFAOYSA-N 245.351 2.702 0 40 BFAB O=C(Nc1cccnc1)c1nccc2ccccc12 63500356 BJUDXVFSOUDVKQ-UHFFFAOYSA-N 249.273 2.882 0 40 BFAB Nc1ncc(Cl)c(Br)c1Cl 71255972 JYWOHGWQLRVPNS-UHFFFAOYSA-N 241.903 2.733 0 40 BFAB c1ccc(N2CCCC[C@@H](N3CCCC3)C2)nc1 71886580 CRPWDQUQKKQFOW-CQSZACIVSA-N 245.370 2.536 0 40 BFAB COc1ccc2[nH]c3c(c2c1)[C@@H](N)CCC3 74113292 HEYWTQWSTLLUAF-JTQLQIEISA-N 216.284 2.513 0 40 BFAB in-vitro Cc1ccc(Br)c(C(=O)O)c1F 75852037 QNGVPYFPKLUQDX-UHFFFAOYSA-N 233.036 2.595 0 40 BFAB in-vitro CCc1nc(C)c([C@@H](C)N(C)CCOC)s1 76040334 RUDJXWYCDLNTSP-SNVBAGLBSA-N 242.388 2.653 0 40 BFAB O=C(c1ccccc1)N1CCC[C@@H]1C1CC1 82355265 HSMBKZOJUISAEJ-CYBMUJFWSA-N 215.296 2.701 0 40 BFAB CC(C)SCC(=O)NCCc1cccs1 84622356 ZWEXMLCZWXPAQB-UHFFFAOYSA-N 243.397 2.548 0 40 BFAB COc1cccc([C@H](C)Sc2cn[nH]n2)c1 89905284 JDBLUALIVJKCSC-QMMMGPOBSA-N 235.312 2.667 0 40 BFAB O=C(Cc1cc(F)c(F)cc1F)C(F)(F)F 95634666 NCIPODZZDUKDEI-UHFFFAOYSA-N 242.118 2.778 0 40 BFAB COc1cc(Cl)cc(Br)n1 95642466 LZKBAUIQDZPBGF-UHFFFAOYSA-N 222.469 2.506 0 40 BFAB Cn1cc(N)c(Oc2ccc3ccccc3c2)n1 95836659 DFVQKVPQEDUOPG-UHFFFAOYSA-N 239.278 2.948 0 40 BFAB CC(C)(C)OC(=O)[C@@]1(C)CCN(c2nc(-c3cccnc3)nc3c2CCC3)C1 97370871 CXJFPFRBPGAMIX-NEPJUHHUSA-N 380.492 3.585 0 40 BFAB Nc1nc2onc(-c3ccccc3)c2s1 196813402 HSWIASDVUWZSKQ-UHFFFAOYSA-N 217.253 2.534 0 40 BFAB O=C(CF)Nc1ccc(Cl)c(Cl)c1 216014489 DGKSQWQXAKPIBW-UHFFFAOYSA-N 222.046 2.901 0 40 BFAB CCC[C@@H](C)NC(=S)Nc1cc(C)ccn1 225202266 YRABPFCKVXGCRH-SNVBAGLBSA-N 237.372 2.865 0 40 BFAB COC(=O)c1ccc2c(c1)nc1n2[C@@H](C)CCC1 226251842 VSWBAKXGVIFVJI-VIFPVBQESA-N 244.294 2.720 0 40 BFAB COC(=O)CCCCC(=O)c1cccs1 382709117 WJQSDSAMWUFNHW-UHFFFAOYSA-N 226.297 2.664 0 40 BFAB Cc1ncn(-c2ccc(F)c(C(F)(F)F)c2)n1 2362803673 VWUFAYXFQKETHN-UHFFFAOYSA-N 245.179 2.734 0 40 BFAB CCc1nnc2cc(C)c3ccc(OC)cc3n12 127917 USUCVCYKXJVXOI-UHFFFAOYSA-N 241.294 2.762 0 40 BFAB in-vitro CC(C)CC(=O)Nc1ncccc1Cl 484232 VYJPRYBWHMQNDL-UHFFFAOYSA-N 212.680 2.720 0 40 BFAB COc1cc([C@@H](N)Cc2ccccc2)ccc1O 1593418 KWISEIFXKVXFMZ-ZDUSSCGKSA-N 243.306 2.643 0 40 BFAB OCCN[C@H](Cc1ccccc1)[C@@H]1CC=CCC1 1666267 FXGFUMWSVRDRPN-HZPDHXFCSA-N 245.366 2.536 0 40 BFAB CCCCO[C@H](CN)C(Cl)(Cl)Cl 1733191 HQXRUYRXQCYBEV-ZCFIWIBFSA-N 234.554 2.501 0 40 BFAB Cc1ccc(OCCCC(=O)NC(C)C)cc1 1773866 HZEDUDRRVBJHGS-UHFFFAOYSA-N 235.327 2.679 0 40 BFAB NCCc1nc(C2CCCCC2)cs1 3708401 VLTVNZHBVJHVKS-UHFFFAOYSA-N 210.346 2.692 0 40 BFAB in-vitro CC1=CC[C@@H](C(N)=O)[C@@H](c2ccc(F)cc2)C1 4784973 CRWYRQUYJZNOMC-CHWSQXEVSA-N 233.286 2.751 0 40 BFAB Cc1cccc2c(=O)n(C3CC3)c(=S)[nH]c12 7044618 XUXWLMDDWJITJR-UHFFFAOYSA-N 232.308 2.702 0 40 BFAB CC(C)NC(=S)Nc1ccc(F)c(F)c1 7571430 CKCBLLCQUBMSCQ-UHFFFAOYSA-N 230.283 2.660 0 40 BFAB COC(=O)Cc1csc(-c2ccccc2)n1 9049754 UHGHQMPJPZDYGD-UHFFFAOYSA-N 233.292 2.526 0 40 BFAB Cc1ccc(F)c(NC(=O)C2CCC2)c1 9217249 VXGJPRLFSXXJMV-UHFFFAOYSA-N 207.248 2.873 0 40 BFAB CCOc1ccc(C(=O)OC)cc1Cl 9280666 QIVCZXIJTAKZMU-UHFFFAOYSA-N 214.648 2.525 0 40 BFAB Cc1ccc(C)c(O[C@H](C)C(=O)N2CCCC2)c1 13710139 KQMSWECPVXHWLG-CYBMUJFWSA-N 247.338 2.693 0 40 BFAB c1ccc2c(-c3n[nH]c4c3CNCC4)cccc2c1 19200219 AFXCHTBZDCGMLS-UHFFFAOYSA-N 249.317 2.876 0 40 BFAB Cc1c(N)cccc1NC(=O)Cc1ccccc1 19266729 AFOSEVRXIVRKNP-UHFFFAOYSA-N 240.306 2.758 0 40 BFAB CCCCN(C)C(=O)c1cccnc1Cl 19269066 ZPYNRNVGGRDWDO-UHFFFAOYSA-N 226.707 2.607 0 40 BFAB CCc1c([C@H](C)NN)oc2ccccc12 19386960 YTBQUMILRMKOTL-QMMMGPOBSA-N 204.273 2.520 0 40 BFAB Cc1ccc(-c2noc(C)c2C(=O)O)cc1C 19682378 CBADGAUKTQLKJS-UHFFFAOYSA-N 231.251 2.965 0 40 BFAB COc1ccc([C@H](C)NC(C)C)cc1F 19881069 NHQNBICBEVJQNO-VIFPVBQESA-N 211.280 2.893 0 40 BFAB c1ccc(CNCCCN2CCCCC2)cc1 20128843 KXENVEDQXIFHNM-UHFFFAOYSA-N 232.371 2.652 0 40 BFAB COC(=O)CCc1ccc2cc(OC)ccc2c1 21983508 NKQBXBCUVHDTNK-UHFFFAOYSA-N 244.290 2.954 0 40 BFAB Cc1ccc(C(=O)N[C@H](C)c2ccncc2)s1 27405055 IBYRECJFVAEECL-SNVBAGLBSA-N 246.335 2.943 0 40 BFAB CCOC(=O)c1nc(Cl)sc1Cl 31772041 RVQIIQNBWNEWKU-UHFFFAOYSA-N 226.084 2.627 0 40 BFAB CC[C@H](C)NC(=O)c1cccc2cccnc12 32518231 MNHXVFUIWVPGDB-JTQLQIEISA-N 228.295 2.763 0 40 BFAB CC(C)(C)SCC(=O)N1CCCCCC1 33018910 QXJWIZRMBJLOLQ-UHFFFAOYSA-N 229.389 2.921 0 40 BFAB CCc1ccc(CNC(=O)c2ccncc2)s1 36397222 HTNAOUKBNCNKRP-UHFFFAOYSA-N 246.335 2.636 0 40 BFAB CCN(Cc1ccco1)C(=O)Nc1ccncc1 48954864 ZYPXAUIXJNDCMU-UHFFFAOYSA-N 245.282 2.729 0 40 BFAB Cc1ccn(Cc2ccc(Cl)s2)c(=O)c1 69629601 OAWDUHFEDWUMPE-UHFFFAOYSA-N 239.727 2.920 0 40 BFAB O=C(CO)c1ccc(Oc2ccccc2)cc1 71533616 IOSCPIQFGPNXOA-UHFFFAOYSA-N 228.247 2.654 0 40 BFAB O=C(Nc1cccc2[nH]ccc12)c1ccccn1 72400446 BTEZBPYLAJQWSC-UHFFFAOYSA-N 237.262 2.815 0 40 BFAB N[C@@H](c1ccccc1)[C@@H](CO)Cc1ccccc1 90866216 ICQKDZDZTLESGV-CVEARBPZSA-N 241.334 2.538 0 40 BFAB CC[C@@H](C)OCc1cc(F)ccc1C=O 95738715 IOTKTVXMHHWRIF-SECBINFHSA-N 210.248 2.953 0 40 BFAB Cc1csc(CNc2ccc(CCO)cc2)n1 96461401 FPXWIJZSHZPLQA-UHFFFAOYSA-N 248.351 2.598 0 40 BFAB CCN(CCNC(=O)N(C)CCCOc1ccc(S(C)(=O)=O)cc1)c1cccc(C)c1 97374436 KTLBOFZFAJQXPQ-VIFPVBQESA-N 447.601 3.335 0 40 BFAB COCCCn1ccc(N[C@@H]2C[C@H]3CC[C@H]2C3)n1 110707301 FIAPMQAOAHHSTA-RWMBFGLXSA-N 249.358 2.520 0 40 BFAB O=C(O[C@H]1CCc2cccnc21)c1ccoc1 189319096 LTOJPZNRRWFSKW-NSHDSACASA-N 229.235 2.519 0 40 BFAB Cc1cnc([C@H]2CCCN(C3CCCC3)C2)[nH]1 205689350 LZJCEDGRJONAJR-LBPRGKRZSA-N 233.359 2.840 0 40 BFAB CCc1c(Br)cc(C=O)n1CC 225304469 FGQSXLWTMXMWGI-UHFFFAOYSA-N 230.105 2.645 0 40 BFAB CCCc1ccc(C(=O)OC)n1CC(C)C 226025781 FTHCBMFLQHGMHV-UHFFFAOYSA-N 223.316 2.883 0 40 BFAB Oc1cc(O)c2c(Cl)csc2c1 228941203 IAJWNEALQFJTIQ-UHFFFAOYSA-N 200.646 2.966 0 40 BFAB CN=c1scc(-c2ccc(Cl)cc2)n1C 252676253 WNBWWSGKEXWPLK-UHFFFAOYSA-N 238.743 2.938 0 40 BFAB CN(c1ccc2ccccc2n1)[C@H]1CCC[C@H]1O 585298209 RJELDFTWYWKROR-UONOGXRCSA-N 242.322 2.584 0 40 BFAB O=C(O)c1c(F)ccc(OC(F)(F)F)c1F 1083811075 TUTLVSWEAOPTPH-UHFFFAOYSA-N 242.099 2.562 0 40 BFAB O=C(Nc1ccccc1C(=O)O)c1cccs1 199943 OGUBBDMPILZTQG-UHFFFAOYSA-N 247.275 2.699 0 40 BFAB O=C(N[C@H]1C[C@@H]2CC[C@H]1C2)c1ccccc1 1172583 OMKJOVVKLPKENU-WXHSDQCUSA-N 215.296 2.605 0 40 BFAB CCC(=O)NCc1cc(C)nc2ccccc12 1423669 IMYIFFLAKHMPJU-UHFFFAOYSA-N 228.295 2.569 0 40 BFAB COc1ccccc1NC(=O)CC(C)C 1556644 JLJSIQHZZPJZJX-UHFFFAOYSA-N 207.273 2.680 0 40 BFAB CC[C@@H](C)C(=O)c1ccc(OC)c(OC)c1 1997639 UFWKGXSNLSLTRI-SECBINFHSA-N 222.284 2.933 0 40 BFAB Fc1ccc2c(c1)C(F)(F)OC2(F)F 2540395 HQCGOYCYRPJCOT-UHFFFAOYSA-N 210.101 2.955 0 40 BFAB Cc1cc(NN)c2cc(Cl)cc(C)c2n1 2564409 RQLZNLOIQVAYHA-UHFFFAOYSA-N 221.691 2.791 0 40 BFAB CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1 3184503 CDHBAZHPEVDWMO-UHFFFAOYSA-N 232.205 2.799 0 40 BFAB in-vitro CC(=O)NCCSc1ccc(Cl)cc1 5378215 RSJRMRRNTXMGPY-UHFFFAOYSA-N 229.732 2.568 0 40 BFAB CCc1ccc(/C=C/C(=O)Nc2nccs2)o1 11689815 KOCZBXFNZQWWHG-AATRIKPKSA-N 248.307 2.950 0 40 BFAB CC(C)c1ccc(CSCC(N)=O)cc1 12593727 WXJNKBDSLNQMDG-UHFFFAOYSA-N 223.341 2.529 0 40 BFAB OC/C(Br)=C/C1CCCCC1 15809709 KDUQCNNBLUIICP-TWGQIWQCSA-N 219.122 2.838 0 40 BFAB OCc1cccc(-c2nc3ccccc3o2)c1 16545331 ISXYEFBBGCZMAE-UHFFFAOYSA-N 225.247 2.987 0 40 BFAB COc1ccc(-c2ncsc2C(=O)O)cc1 20444167 LUBPPGPLKIRSTL-UHFFFAOYSA-N 235.264 2.517 0 40 BFAB O=C(Cc1ccc(Cl)cc1)Nc1ccon1 20457661 XUJOQDCCBULEHL-UHFFFAOYSA-N 236.658 2.509 0 40 BFAB O=C(Nc1ccccn1)c1ccc(Cl)o1 21383681 YTJRWKJKOFQEMK-UHFFFAOYSA-N 222.631 2.580 0 40 BFAB Cc1cc(C(=O)NC[C@@H](C)c2ccccc2)on1 23445063 YKTYIMHXMPLFSY-SNVBAGLBSA-N 244.294 2.517 0 40 BFAB Nc1cccc(-c2nc(-c3ccccc3)n[nH]2)c1 26508125 KANPBCGVSTVENC-UHFFFAOYSA-N 236.278 2.721 0 40 BFAB in-vitro COc1cccc(C2(C(=O)O)CCCC2)c1 33487196 BDUMKMDZDPHFJH-UHFFFAOYSA-N 220.268 2.592 0 40 BFAB in-vitro CC(C)N1CCCc2c(C(=O)O)cccc21 37474292 DAMDITZLXXHMDP-UHFFFAOYSA-N 219.284 2.546 0 40 BFAB in-vitro C[C@@H](Nc1ncnc2ccccc12)[C@@H]1CCCO1 37493048 QORNVGIUSDIGEH-MFKMUULPSA-N 243.310 2.609 0 40 BFAB CC(=O)c1ccc(O)c(Cl)c1Cl 39207772 FDHMYZRFXAXLFF-UHFFFAOYSA-N 205.040 2.902 0 40 BFAB CC1CCC(NC(=O)CC(F)(F)F)CC1 40490338 VQMQFDSTKVWPDF-UHFFFAOYSA-N 223.238 2.634 0 40 BFAB CCOC(=O)c1cc(N)ccc1N[C@H](C)CC 41079792 REBIFERGHXYTPD-SECBINFHSA-N 236.315 2.656 0 40 BFAB C[C@H]1CCCC[C@@H]1NCCC(=O)OC(C)(C)C 47218999 FEWBONHQPJCKJQ-RYUDHWBXSA-N 241.375 2.887 0 40 BFAB CN(C)C(=O)C(C)(C)c1ccc(Cl)cc1 56488634 DODPXSBOELHNDM-UHFFFAOYSA-N 225.719 2.706 0 40 BFAB Nc1cc(-n2cccc2)ccc1N1CCCC1 59549668 GDFPSAWAEQDNKV-UHFFFAOYSA-N 227.311 2.660 0 40 BFAB FC(F)(F)Oc1cccc(C2=CCNCC2)c1 61703150 SBIJWZNUQZYVQE-UHFFFAOYSA-N 243.228 2.962 0 40 BFAB in-vitro Fc1ccccc1OCCNCC1CCC1 72226483 VDXRIQSNFBFMGD-UHFFFAOYSA-N 223.291 2.594 0 40 BFAB C[C@H]1CC[C@@H](C)CN1CCc1ccccn1 76150549 ZUZIVYUHJKOJJC-OLZOCXBDSA-N 218.344 2.745 0 40 BFAB C1C[C@H](NC2CCOCC2)C[C@H](C2CC2)C1 81629427 NEFZSSHIVPHJGK-OCCSQVGLSA-N 223.360 2.724 0 40 BFAB CC(C)(C)OC(=O)/C=C/CC(F)(F)F 83263382 LWSAWZSWHVBHQG-SNAWJCMRSA-N 210.195 2.837 0 40 BFAB CC(C)CCC[C@@H](C)NC(=O)NC1CC1 84510292 YNASAVKMPJSPLE-SNVBAGLBSA-N 212.337 2.663 0 40 BFAB Cc1nonc1C(=O)Nc1cccc(C(C)C)c1 89556412 ZRDNMVXMYYBHNL-UHFFFAOYSA-N 245.282 2.754 0 40 BFAB CC(=O)N1CCSC[C@H]1c1ccc(C)cc1 89632152 YELSLUSXTNWNIB-ZDUSSCGKSA-N 235.352 2.631 0 40 BFAB CC(C)(C)OC(=O)NCCCc1ccncc1 90636374 SCIXPCFSIXIGTE-UHFFFAOYSA-N 236.315 2.539 0 40 BFAB CCCCOc1cc(F)c(CO)c(F)c1 91251975 JFQDJUWNPGRGJU-UHFFFAOYSA-N 216.227 2.636 0 40 BFAB Cc1cc(CN)cc(C(F)(F)F)c1F 91252183 URDNLWAWYZBLQA-UHFFFAOYSA-N 207.170 2.612 0 40 BFAB CC(C)c1nnc(CSC2CCOCC2)o1 95439490 BJVLTMNDLLWEDE-UHFFFAOYSA-N 242.344 2.605 0 40 BFAB c1cc(-c2nc([C@@H]3CCCCCN3)no2)co1 96001558 CHNOJUDWMFDQRC-JTQLQIEISA-N 233.271 2.534 0 40 BFAB Cc1ccc(NC(=O)OCC(F)(F)F)cn1 96300632 QQBOHOPPIIQUSY-UHFFFAOYSA-N 234.177 2.501 0 40 BFAB CC[C@@H](S[C@H](C)C(N)=O)c1ccccc1 96433447 SPKWWCUKZDHUEG-MWLCHTKSSA-N 223.341 2.745 0 40 BFAB C[C@H](CO)Nc1cc2ccccc2c(Cl)n1 96452674 ZONBORXAZKRKDW-MRVPVSSYSA-N 236.702 2.681 0 40 BFAB C[C@@H]1CC[C@@H]1COc1ccccc1C(=O)O 96526460 NKGAUIKTEZYEOS-NXEZZACHSA-N 220.268 2.810 0 40 BFAB CN(N)c1cc(C(F)(F)F)c2ccccc2n1 199543817 MFIZFNUXGCOLQG-UHFFFAOYSA-N 241.216 2.564 0 40 BFAB CCOCc1cccc(N)c1Br 233768272 DEHAKFZWKQXSFS-UHFFFAOYSA-N 230.105 2.568 0 40 BFAB CCc1c(C2CC2)[nH]c2cc(O)ccc2c1=O 685938323 HMSJIXNXZJTXDQ-UHFFFAOYSA-N 229.279 2.674 0 40 BFAB Fc1ccc2c(c1)c1c3n2CCN[C@H]3CCC1 365762 IMKFWNAJMPWGDQ-LBPRGKRZSA-N 230.286 2.761 0 40 BFAB biogenic O=Cc1ccc(N2CCCCCC2)cc1 3389681 MIMHJRMSIZFETH-UHFFFAOYSA-N 203.285 2.880 0 40 BFAB in-vitro COc1ccc(CCN2CCC(C)CC2)cc1 4935958 DNBKQHWVJJFPSY-UHFFFAOYSA-N 233.355 2.970 0 40 BFAB O=C(O)/C=C/c1ccc2c(c1)CCCC2 5742867 YUQNQGDQNKUERN-SOFGYWHQSA-N 202.253 2.663 0 40 BFAB CCCCCNCc1ccc(OC)c(OC)c1 6427707 ILIYCNMCKPOTTA-UHFFFAOYSA-N 237.343 2.984 0 40 BFAB Cc1cc(C)cc(O[C@@H](C)C(=O)N2CCCC2)c1 8498347 ZXCRLMXPMNIHHL-ZDUSSCGKSA-N 247.338 2.693 0 40 BFAB C[C@@H]1C[C@H]1C(=O)Nc1ccccc1OC(F)F 9726551 FBVJRBSAWHBLCJ-HTQZYQBOSA-N 241.237 2.883 0 40 BFAB COC[C@@H](C)NC(=O)c1ccc2ccccc2c1 10109372 IQBJVTBGQILHDJ-LLVKDONJSA-N 243.306 2.605 0 40 BFAB CCCCN(CC)C(=O)c1ccccc1 16957959 RRVMBNCYXJSBMP-UHFFFAOYSA-N 205.301 2.949 0 40 BFAB C[C@H](NN)c1ccc2c(c1)Cc1ccccc1-2 19402858 AGOBFZQLGJBPFS-JTQLQIEISA-N 224.307 2.782 0 40 BFAB C[C@@H](N)c1ccc(OCC(F)(F)F)c(F)c1 19873102 XMYLIMVFYINLJN-ZCFIWIBFSA-N 237.196 2.787 0 40 BFAB O=C(O)C1(c2c(F)cccc2Cl)CC1 20429429 BTMDJKGGDGZLIK-UHFFFAOYSA-N 214.623 2.595 0 40 BFAB CC[C@@H](N)c1ccc(OC(F)F)cc1 22174833 MIFMZIPFCNEFBM-SECBINFHSA-N 201.216 2.698 0 40 BFAB in-vitro COc1ccc(C(=O)CC(C)C)cc1O 35088240 OSIWAIIBXIPDIB-UHFFFAOYSA-N 208.257 2.630 0 40 BFAB CN(C(=O)c1cccc(F)c1)C1CCCC1 36393547 WTNDMEWTIYCUMZ-UHFFFAOYSA-N 221.275 2.840 0 40 BFAB O=C(O)c1cnc(C2CCCCC2)s1 36930131 PDCLFZFVXDPVLJ-UHFFFAOYSA-N 211.286 2.889 0 40 BFAB Cc1ccc(CNC(=O)c2scnc2C)cc1 40529050 FEVSNGNZRJPJQV-UHFFFAOYSA-N 246.335 2.690 0 40 BFAB CCc1ccccc1C(=O)[C@@H]1CCC[C@H]1C(=O)O 43879177 MYSXYDPFDGUBOD-CHWSQXEVSA-N 246.306 2.933 0 40 BFAB Cc1nc(C)c([C@@H](C)NC(=O)C2CCC2)s1 48749373 AJFCKSVWIWNHQO-MRVPVSSYSA-N 238.356 2.737 0 40 BFAB CC(C)Nc1ccc([C@H](N)c2ccccc2)cn1 72225073 TWCOBOAFLHKBMT-OAHLLOKOSA-N 241.338 2.950 0 40 BFAB CC(C)Oc1ccc2ncc(CO)cc2c1 72226652 MSSXLKZSABDDRN-UHFFFAOYSA-N 217.268 2.514 0 40 BFAB COc1ccc2nc(-c3cscn3)[nH]c2c1 77301040 AQQVJVFNODBBKA-UHFFFAOYSA-N 231.280 2.695 0 40 BFAB in-vitro COCOc1ccc(Br)cc1F 82237594 GDVPFBUPOUTQPZ-UHFFFAOYSA-N 235.052 2.571 0 40 BFAB in-vitro CCC(CC)(CC)NC(=O)Nc1ccn(C)n1 96434406 RHURWMSVHQUCTJ-UHFFFAOYSA-N 238.335 2.510 0 40 BFAB CC(C)c1nccn1Cc1nc2ccccc2[nH]1 97236131 ZWKFATZUCXZGFI-UHFFFAOYSA-N 240.310 2.931 0 40 BFAB Cc1ccc2c(c1)[C@H]1CCCC(=O)[C@@H]1N2 100769722 KQAOLVJMYZHVBN-NOZJJQNGSA-N 201.269 2.626 0 40 BFAB biogenic Cc1ccccc1N1C(=O)[C@H]2CCCC[C@H]2C1=O 101209824 BKCOXCQCSDGIOZ-TXEJJXNPSA-N 243.306 2.675 0 40 BFAB CC(C)(C)Oc1ccc2cnc(N)cc2c1 199564982 FKVYNZOKEMQWIL-UHFFFAOYSA-N 216.284 2.994 0 40 BFAB COc1ccccc1CNCc1ccccc1 293429 XIRPWRHFPWEBHP-UHFFFAOYSA-N 227.307 2.985 0 40 BFAB CCC(CC)C(=O)Nc1ccccc1C(=O)OC 363696 SNXFGVIWKFCBIB-UHFFFAOYSA-N 249.310 2.848 0 40 BFAB COc1ccc(OP2OC[C@@H](C)O2)cc1 1560439 HMPSKQGKHXJJNK-ARAKYBCZSA-N 228.184 2.736 0 40 BFAB COc1ccccc1Oc1ccccn1 1718713 YSBYEQVJUQJNFS-UHFFFAOYSA-N 201.225 2.883 0 40 BFAB COc1cccc(CCC(=O)C2CC2)c1 2516538 JSHFTYDJDYORSC-UHFFFAOYSA-N 204.269 2.607 0 40 BFAB Cc1cc(C)c2c(=O)n3c(cc2c1)CCCC3 3847857 GFTBNFUYWJYRPR-UHFFFAOYSA-N 227.307 2.955 0 40 BFAB biogenic Cc1ccccc1-n1nc(C)c(C=O)c1C 4384330 MXWICIXTAYJZCH-UHFFFAOYSA-N 214.268 2.610 0 40 BFAB in-vitro CC(C)C(=O)Nc1ccc(NC(=O)C(C)C)cc1 5293747 WNKWJTCZWLCWBO-UHFFFAOYSA-N 248.326 2.876 0 40 BFAB C(=C\c1ccc2c(c1)OCO2)\c1ccncc1 5486494 YOBLRHFAUWAOPW-UPHRSURJSA-N 225.247 2.981 0 40 BFAB CC[C@H](C)NC(=O)[C@H](CC)Oc1ccccc1 6120924 CYVVEDPDZVYQFA-AAEUAGOBSA-N 235.327 2.759 0 40 BFAB Cc1c([C@H](C)C(=O)O)c2ccccc2n1C 17420258 HJMMPTYUZJVSMF-QMMMGPOBSA-N 217.268 2.675 0 40 BFAB c1ccc2c(c1)CCCN2C[C@H]1CCCCN1 19506592 HXGLVMGISUPSEM-CQSZACIVSA-N 230.355 2.581 0 40 BFAB Nc1nc2ccccc2n1-c1ccccc1F 20586152 PDQPGKBWLNFWPE-UHFFFAOYSA-N 227.242 2.747 0 40 BFAB in-vitro CC(C)c1cccc(NC(=O)Cn2cccn2)c1 32491311 HTQGSURDYSHPAD-UHFFFAOYSA-N 243.310 2.645 0 40 BFAB Clc1nnc(-c2ccccc2)n1C1CC1 32627395 GDXCJGLPQJTZMQ-UHFFFAOYSA-N 219.675 2.933 0 40 BFAB in-vitro Cc1ccsc1C(=O)N1CCC[C@@H](C)C1 33023538 UCLHEUDAUGDWQJ-SECBINFHSA-N 223.341 2.929 0 40 BFAB CCCOc1ccc(OC)cc1CNCC 34655913 XBQWQKRVBCXOBI-UHFFFAOYSA-N 223.316 2.594 0 40 BFAB CCOc1ccc(CNc2cnn(CC)c2)cc1 35781016 XOYMSUGMPJPNOS-UHFFFAOYSA-N 245.326 2.914 0 40 BFAB COc1cc(C)c(Cl)c(C)c1C(=O)O 36199558 JRGLPGALNRGVOI-UHFFFAOYSA-N 214.648 2.664 0 40 BFAB COc1ccc2ccccc2c1[C@@H]1C[C@H]1N 37381727 BXUWFDCOLNLBMW-VXGBXAGGSA-N 213.280 2.663 0 40 BFAB COc1cc(C=O)c(O)c(C(C)(C)C)c1 38435292 BSOBIHUVDDETHG-UHFFFAOYSA-N 208.257 2.511 0 40 BFAB CCc1ccc(-c2nc(CN)cs2)cc1 40419387 UHYPUMJGLKYKPK-UHFFFAOYSA-N 218.325 2.831 0 40 BFAB O=C(O)c1cnc2oc(-c3cccs3)nc2c1 40449307 ZCJJYBSSPZRWNV-UHFFFAOYSA-N 246.247 2.650 0 40 BFAB Cc1nn(C(C)C)c(C)c1Br 41367408 CXKZTTNVIBHWAQ-UHFFFAOYSA-N 217.110 2.843 0 40 BFAB CNc1cc(C)nc2ccc(OC)cc12 41474715 FTNPPUPPUXQJOG-UHFFFAOYSA-N 202.257 2.594 0 40 BFAB O=C(O)Cc1ccc(Oc2ccncc2)cc1 42415518 DIHMHEGBWXOEAO-UHFFFAOYSA-N 229.235 2.501 0 40 BFAB Cc1ccc(Cl)c(OC[C@@H]2CCNC2)c1 42772380 XVEKDIOOOZJGHU-SNVBAGLBSA-N 225.719 2.637 0 40 BFAB CCc1cc(Cl)ccc1O[C@H]1CCNC1 42775243 FGJNXFWKXNYRGM-NSHDSACASA-N 225.719 2.643 0 40 BFAB CSc1ccc(/C=C/C(=O)O)s1 44201134 UBYDPHUHZSKWNO-DUXPYHPUSA-N 200.284 2.568 0 40 BFAB C[C@H]1C[C@H]1C(=O)NCCc1ccccc1Cl 67084378 UEKGVEDTFXERPX-GXSJLCMTSA-N 237.730 2.655 0 40 BFAB CCNC(=O)NCc1cccc(C(F)(F)F)c1 67472548 VFZPATPVUMXEDK-UHFFFAOYSA-N 246.232 2.525 0 40 BFAB Oc1cccc(-n2ccc(C(F)(F)F)n2)c1 70675465 WRDGJEBUKAOQFH-UHFFFAOYSA-N 228.173 2.597 0 40 BFAB CC[C@@H](C)Nc1ccc(C2=NCCC2)cn1 72213467 LZHOCPNCBRFPIV-SNVBAGLBSA-N 217.316 2.875 0 40 BFAB COc1ccc(C2(C(=O)O)CCCC2)cc1F 75073555 OYYKTJOMSKEMMC-UHFFFAOYSA-N 238.258 2.731 0 40 BFAB NCC1(c2ccc(F)cc2F)CCCC1 82595107 AEBFILQYZMBVFH-UHFFFAOYSA-N 211.255 2.735 0 40 BFAB in-vitro CCCCOc1cc([C@H](C)O)ccc1OC 90213397 GQZUFXPFICWUDX-JTQLQIEISA-N 224.300 2.927 0 40 BFAB CCOC(=O)[C@H](C)Cc1ccc(C)cc1 95347620 UPJAGKHUQZSQSK-LLVKDONJSA-N 206.285 2.737 0 40 BFAB in-vitro CCc1cnccc1C(=O)OC1CCCC1 95467989 AGCFFQJHLINWCT-UHFFFAOYSA-N 219.284 2.743 0 40 BFAB Nc1cc(C(F)(F)F)cn2cc(C3CC3)nc12 96510232 SNJMBGVHIKLYBZ-UHFFFAOYSA-N 241.216 2.813 0 40 BFAB Clc1cccc(-c2nccn2C[C@H]2CO2)c1 96511331 NRSOWNRXWKIMJN-NSHDSACASA-N 234.686 2.602 0 40 BFAB CC(C)=CC[C@@H](O)[C@@]1(C)[C@H]2CC[C@@H](C2)[C@@]1(C)O 100393349 VORYVMSYLVEJBA-VQJWOFKYSA-N 238.371 2.891 0 40 BFAB biogenic,in-vitro CC(C)(C)OC(=O)N1CCSC[C@H]1C1CC1 112951849 NNNMGVGMZFCKLW-JTQLQIEISA-N 243.372 2.749 0 40 BFAB Nc1ccccc1N1CCC(F)(F)CC1 141671318 VYZOZCSHUDPHNR-UHFFFAOYSA-N 212.243 2.504 0 40 BFAB CN1CCC[C@@H]1c1cccc(NCC(F)F)n1 205697942 SXTPPMITMCYLNV-SNVBAGLBSA-N 241.285 2.525 0 40 BFAB CC[C@@]1(C)CCCN(Cc2snnc2C)C1 569367761 NQAZWABXMLJAIS-LBPRGKRZSA-N 239.388 2.859 0 40 BFAB CN1CCC(Oc2nsc3ccccc23)CC1 585654948 OCBPVKJDIXDTEU-UHFFFAOYSA-N 248.351 2.769 0 40 BFAB CCc1[nH]c2ccc(O)cc2c(=O)c1C(C)C 685938697 RRKATWAFLVVUBD-UHFFFAOYSA-N 231.295 2.920 0 40 BFAB Cc1ncnc(Nc2ccc(F)c(F)c2)c1F 1888866309 XARXUMQQIJMTPW-UHFFFAOYSA-N 239.200 2.946 0 40 BFAB Cc1cc(Br)c(O)c2c1CCC2 157687 JVSJLQABHNFCLL-UHFFFAOYSA-N 227.101 2.952 0 40 BFAB COc1ccc(-c2noc([C@H]3CCCO3)n2)cc1 2328148 WKCUHFNOGKVDJP-LLVKDONJSA-N 246.266 2.597 0 40 BFAB CC(=O)c1cccc(NC(=O)NC2CCCC2)c1 3070600 MAZGJUHYAIBNTN-UHFFFAOYSA-N 246.310 2.953 0 40 BFAB CC(=O)c1ccc(N2C[C@H]2c2ccncc2)cc1 4013630 NPKWZPWCVIAXLF-MYJWUSKBSA-N 238.290 2.846 0 40 BFAB O=C(Nc1nccs1)[C@@H]1C[C@H]2CC[C@@H]1C2 4018446 PHKMYNOCRCZCOU-DJLDLDEBSA-N 222.313 2.518 0 40 BFAB CCO[C@@H]1OCCC[C@H]1[C@H](OCC)C(C)C 4428913 KZNCHPMMDTVWNG-YNEHKIRRSA-N 230.348 2.837 0 40 BFAB Cc1cc(NC(=O)NC2CCCCC2)nc(C)n1 6501173 KRJVMMTTYTUAND-UHFFFAOYSA-N 248.330 2.548 0 40 BFAB Cc1cccc([C@@H]2CC(=O)c3cn[nH]c3C2)c1 10156786 MRJBQIGMLBYZGV-NSHDSACASA-N 226.279 2.631 0 40 BFAB O=C(NCc1cccnc1)NC1CCCCCC1 12546004 BTQHVUFHFAQJAL-UHFFFAOYSA-N 247.342 2.604 0 40 BFAB CCCCCn1c(CCO)nc2ccccc21 15922106 UULKIMYUZDOTAZ-UHFFFAOYSA-N 232.327 2.761 0 40 BFAB Nc1c(C(=O)O)cccc1-c1ccccc1 20475950 YMRNZNHFJGQDCB-UHFFFAOYSA-N 213.236 2.634 0 40 BFAB CCOC(CC(=O)c1ccccc1)OCC 22114834 DTLKIEUIPAYFLA-UHFFFAOYSA-N 222.284 2.659 0 40 BFAB CC(C)OC(=O)c1c[nH]c2ccccc12 23077067 CWKLKSRIXHQJFG-UHFFFAOYSA-N 203.241 2.733 0 40 BFAB O=C(Nc1cc(F)ccc1F)c1ccoc1 26856015 ZDECPJPUUMOUAW-UHFFFAOYSA-N 223.178 2.810 0 40 BFAB CCOc1ncccc1NC(=O)C1CCCCC1 27587521 BXLMLJNIVLAYIB-UHFFFAOYSA-N 248.326 2.999 0 40 BFAB N[C@H]1CC1(c1ccccc1)c1ccccc1 29046425 WVRNJJILWVMIRA-AWEZNQCLSA-N 209.292 2.704 0 40 BFAB Cc1c(N)nc(Br)c2ccccc12 31719495 YCVJUPIKBPADHA-UHFFFAOYSA-N 237.100 2.888 0 40 BFAB CN1C(=O)S/C(=C/C=C/c2ccccc2)C1=O 32189093 IGXHINBGLNQNOR-OSODFHRSSA-N 245.303 2.909 0 40 BFAB CC(C)CCC(=O)NCc1cccs1 32994410 YPCQVSMDRKTNFR-UHFFFAOYSA-N 211.330 2.801 0 40 BFAB Cc1ccc([C@@H](O)CNC2CCCCC2)cc1 33464949 VHKYWCQGVQVPAJ-HNNXBMFYSA-N 233.355 2.951 0 40 BFAB c1ccc(-c2ccccc2Nc2nnn[nH]2)cc1 33618610 PLVDIDMQNROEDF-UHFFFAOYSA-N 237.266 2.610 0 40 BFAB CCOC(=O)c1cc2c(OCC)cccc2[nH]1 35364681 ROLJJLSMNHGENH-UHFFFAOYSA-N 233.267 2.743 0 40 BFAB O=C1c2ccccc2CCN1c1ccccc1 38221515 NQUKHFQYUSVVBI-UHFFFAOYSA-N 223.275 2.890 0 40 BFAB OC/C=C/c1ccc(C(F)(F)F)cc1 38974182 INQSGMFXAGSIPB-OWOJBTEDSA-N 202.175 2.711 0 40 BFAB COc1ccc(-c2nnc(O)cc2Cl)cc1 39297458 ASLHPMQGAZACNG-UHFFFAOYSA-N 236.658 2.511 0 40 BFAB O=C(CC[C@@H]1CCCO1)NCC1CCCCC1 40505992 MEFYONSHTKZIPZ-ZDUSSCGKSA-N 239.359 2.642 0 40 BFAB CC(C)O[C@H](CN)c1ccc(Cl)cc1 42948845 KYAGYAANZPCFLJ-LLVKDONJSA-N 213.708 2.765 0 40 BFAB CN(Cc1ccccc1Cl)[C@H]1CCCNC1 43501460 CPJLDFAIJYYFKE-LBPRGKRZSA-N 238.762 2.524 0 40 BFAB Fc1ccc2c([C@H]3CCCNC3)c[nH]c2c1 44135659 RUAUOTLPMYTLKR-VIFPVBQESA-N 218.275 2.774 0 40 BFAB Cc1ccncc1C(=O)c1ccc(F)c(F)c1 45029028 PCTIVAXALICAIG-UHFFFAOYSA-N 233.217 2.899 0 40 BFAB CCCCC1=NN(c2ccc(OC)cc2)C(=O)C1 71976518 ACMSNYVJLSHBEO-UHFFFAOYSA-N 246.310 2.978 0 40 BFAB CCN(CC)c1ccc(C2=NCCCC2)cn1 72212847 SZLDLEGBYGUNAP-UHFFFAOYSA-N 231.343 2.901 0 40 BFAB CCCN1CCC[C@H]1c1ccc(N)nc1C 72218562 CWLWQZFHGWPTTP-LBPRGKRZSA-N 219.332 2.519 0 40 BFAB CC[C@H](O)c1cnc(N(CC)CC)c(C)c1 72222224 SEEKYTXUNHVKLY-LBPRGKRZSA-N 222.332 2.680 0 40 BFAB Cc1cc(S)ncc1C(=O)c1ccccc1 72223782 LBUBAWCAIZYCDT-UHFFFAOYSA-N 229.304 2.910 0 40 BFAB O=C(C1CCCC1)N1CCCC[C@H]1c1cc[nH]n1 72357212 HSOFGGCRPNALDO-ZDUSSCGKSA-N 247.342 2.654 0 40 BFAB CCC[C@H](CCOC)CN[C@@H](C)CC 85396253 IKUWOAXCYWNJKF-NWDGAFQWSA-N 201.354 2.827 0 40 BFAB CCCC(=O)c1ccc(O)c(F)c1F 88120944 VOIPTBWDLJXJOA-UHFFFAOYSA-N 200.184 2.653 0 40 BFAB CCCOc1cc(Cl)c(CO)cc1OC 95095050 GYMHXQVZGWQIDL-UHFFFAOYSA-N 230.691 2.630 0 40 BFAB Clc1nccn2nc(C3CCC3)cc12 95883518 ROTCCMMTFHILAD-UHFFFAOYSA-N 207.664 2.650 0 40 BFAB in-vitro C[C@@]12C[C@@]3(Br)C(=O)[C@]1(C)CC[C@@H]32 101041791 MZUHKKJTABCVFS-CUJWVEQBSA-N 229.117 2.529 0 40 BFAB O=S1(=O)[C@H]2CC=C[C@H]1CC[C@H]2c1ccccc1 104285125 CITXMVBBXASIOV-IHRRRGAJSA-N 248.347 2.676 0 40 BFAB c1ccc([C@@H]2CCOC3(CCNCC3)C2)cc1 205673491 IANNZVNSFSYCDN-CQSZACIVSA-N 231.339 2.703 0 40 BFAB C[C@@H]1C[C@@H](OC(=O)c2ccccc2)CCC1=O 1704110 MFLPVUSCYWWBBD-PWSUYJOCSA-N 232.279 2.601 0 40 BFAB CCCCOC(=O)CCc1nc2ccccc2[nH]1 1775534 HOBLWAPVUZEAME-UHFFFAOYSA-N 246.310 2.839 0 40 BFAB CCOCCn1c(CC)nc2ccccc21 2342277 VOKKQIYRYQKOQX-UHFFFAOYSA-N 218.300 2.635 0 40 BFAB OCCCCCOc1ccc(Cl)cc1 2512571 RPTVYVVKNVSHMI-UHFFFAOYSA-N 214.692 2.881 0 40 BFAB in-vitro NN(C(=S)Nc1ccccc1)c1ccccc1 2572232 AIONMUKAPQSLHW-UHFFFAOYSA-N 243.335 2.764 0 40 BFAB CC(C)(C)c1ccc(-n2c(=O)[nH][nH]c2=S)cc1 4289392 WXCSEBGXQSTJAK-UHFFFAOYSA-N 249.339 2.521 0 40 BFAB FC(F)(F)CCOCCC(F)(F)F 5113640 IWDSRIHZWYDMFC-UHFFFAOYSA-N 210.117 2.908 0 40 BFAB CSc1cc(SC)c(N)c(C)c1N 5419361 TXDBDYPHJXUHEO-UHFFFAOYSA-N 214.359 2.603 0 40 BFAB C[C@@H]1CCCCN1C(=O)[C@H]1CC=CCC1 6030846 KRHYGGFLEBNTHQ-NEPJUHHUSA-N 207.317 2.744 0 40 BFAB O=c1[nH]c(-c2ccsc2)nc2ccccc12 9791105 WQPHUKPKGIBCBO-UHFFFAOYSA-N 228.276 2.652 0 40 BFAB in-vitro CC1(C)C[C@H](N)c2cc(Cl)ccc2O1 11848961 YCHLOTPQPGERAD-VIFPVBQESA-N 211.692 2.901 0 40 BFAB NCc1csc(Cc2ccc(Cl)cc2)n1 11850514 YYVKOGQLZIBLIK-UHFFFAOYSA-N 238.743 2.846 0 40 BFAB Cc1ccc2c(c1)S[C@@H](C(=O)NC(C)C)C2 12875571 HVIPHORZVMRVED-GFCCVEGCSA-N 235.352 2.536 0 40 BFAB Cc1csc2nc(-c3ccncc3)cn12 13216693 KBZPNUKMVHLHQJ-UHFFFAOYSA-N 215.281 2.766 0 40 BFAB CC1(C)CCC[C@]2(C)[C@H]1CC=C(CO)[C@@H]2CO 15147902 KUTDAKOPPDXZDV-YDHLFZDLSA-N 238.371 2.750 0 40 BFAB biogenic,in-vitro CCc1nc(C)cn1C(=O)Nc1ccccc1 16162526 LNQMYRGGSUFIFL-UHFFFAOYSA-N 229.283 2.834 0 40 BFAB COCCn1c(C(F)(F)F)nc2ccccc21 16684872 XAOLVBAPGMJGMT-UHFFFAOYSA-N 244.216 2.702 0 40 BFAB COc1ccc(/C=C\[n+]2ccccc2)cc1OC 17299754 DWAIZJWSZUGFST-FLIBITNWSA-N 242.298 2.619 0 40 BFAB COc1cccc([C@@H](C)NC[C@H]2CCCO2)c1 19963618 ZVGASTUZMKBKCJ-BXUZGUMPSA-N 235.327 2.525 0 40 BFAB FC(F)(F)CNCCCc1ccccc1 20070259 XBKIFVWVOLMCJL-UHFFFAOYSA-N 217.234 2.771 0 40 BFAB OCc1csc(-c2ccccc2Cl)n1 32015112 UTFHLPKQSTYCNI-UHFFFAOYSA-N 225.700 2.956 0 40 BFAB in-vitro c1cnc2[nH]cc(CN3CCCCC3)c2c1 33844890 MGPOWJRFLZBWAU-UHFFFAOYSA-N 215.300 2.549 0 40 BFAB in-vitro COCCN[C@@H]1C[C@H](C)CC[C@H]1C(C)C 35439072 BIWZRCPLGYEICT-FRRDWIJNSA-N 213.365 2.683 0 40 BFAB Cc1ccc(C(F)(F)F)cc1CC(=O)O 38529685 JUHQANJHRWBIKL-UHFFFAOYSA-N 218.174 2.641 0 40 BFAB CCC(=O)N1C[C@H](C)O[C@H](c2ccc(C)cc2)C1 41422262 SHUIKUPBACIPJJ-JSGCOSHPSA-N 247.338 2.693 0 40 BFAB Cc1ccc(C(=O)NCc2ccc(C)s2)o1 48354940 RLVCMJADKDAEFW-UHFFFAOYSA-N 235.308 2.888 0 40 BFAB COc1c(Cl)cc(C(C)(C)C)cc1C(N)=O 57339191 QJSQCNDQKCUWFZ-UHFFFAOYSA-N 241.718 2.745 0 40 BFAB O=C(O)C/C=C/c1ccc(Br)cc1 62710571 QAKAGCGTEVRMQA-OWOJBTEDSA-N 241.084 2.937 0 40 BFAB CC(C)N1CCCC[C@@H]1c1cccnc1O 72212326 SVAMJETUUGGTPV-GFCCVEGCSA-N 220.316 2.723 0 40 BFAB COc1ncc([C@H]2CCCCN2C)cc1C 72217736 RBWDZKNOHAAYOK-GFCCVEGCSA-N 220.316 2.555 0 40 BFAB COc1ccc(COC(=O)c2cccs2)cn1 76091007 BMSRWVKCRJEHCP-UHFFFAOYSA-N 249.291 2.509 0 40 BFAB O=C(c1ccco1)N1CCC(C(F)(F)F)CC1 88439180 OVQRZYLAQOUAGU-UHFFFAOYSA-N 247.216 2.694 0 40 BFAB Cc1cccc([C@H](O)CN[C@@H](C)c2ccco2)c1 90520859 IDBIVWJNBLPDNG-GXTWGEPZSA-N 245.322 2.972 0 40 BFAB CC(=O)NCC(C)(C)c1c(F)cccc1Cl 95403641 DCRKZTNAJHKQJR-UHFFFAOYSA-N 243.709 2.893 0 40 BFAB Cc1cc(NC(=O)CSC(C)(C)C)sn1 96449155 BEECXZIWNFIDOX-UHFFFAOYSA-N 244.385 2.922 0 40 BFAB CC(C)=CCC[C@@H](C)NC[C@]1(O)CCSC1 96478997 DTEJCKNIFINPIY-CHWSQXEVSA-N 243.416 2.579 0 40 BFAB CCS[C@H]1CCC[C@@H]1Nc1nnc(C)s1 96482474 OCNXCLLVGFPVPR-IUCAKERBSA-N 243.401 2.933 0 40 BFAB Cc1nccn1CCCSCC1CC1 96493604 MEUCGANZHNXBMD-UHFFFAOYSA-N 210.346 2.725 0 40 BFAB Cc1cccc(OCCCCCO)c1F 97053676 QGMMFHKOUXETEG-UHFFFAOYSA-N 212.264 2.676 0 40 BFAB CCCC(=O)[C@@H](CC)C(=O)C(F)(F)F 100280691 BHQIXRJKTWWITR-ZCFIWIBFSA-N 210.195 2.513 0 40 BFAB O=C(CF)c1ccc(F)c(Br)c1 113383194 NPZGQRZPVVABKF-UHFFFAOYSA-N 235.027 2.740 0 40 BFAB CCCCNCc1cc(C)n(CCOC)c1C 223660324 LQQJJUYYIKAXQU-UHFFFAOYSA-N 238.375 2.641 0 40 BFAB C[C@]12CCN(Cc3ccccc3Cl)C[C@H]1O2 242463919 DQMUCOLXAAYBQX-OLZOCXBDSA-N 237.730 2.703 0 40 BFAB CCCCCCNCc1ccn(CC)n1 256050065 CMOLZBUZGPPYFG-UHFFFAOYSA-N 209.337 2.573 0 40 BFAB Cc1cc(-c2cccc([C@H]3CCCN3C)n2)[nH]n1 257301184 RXILUVADEOGYKW-CQSZACIVSA-N 242.326 2.547 0 40 BFAB CCN(c1cc(Cl)ccc1C)[C@H](C)C(=O)O 260680869 WCNXWZPJMSMCKO-SECBINFHSA-N 241.718 2.948 0 40 BFAB CCCN(c1ccccc1F)[C@H](C)C(=O)O 260680944 YVDIEHUWHWQVLB-SECBINFHSA-N 225.263 2.515 0 40 BFAB CC[C@@H](Cl)C(=O)c1cc(OC)cc(OC)c1 394782813 MNGLKOXKEFAEFC-LLVKDONJSA-N 242.702 2.904 0 40 BFAB C[C@H](Nc1ccc2c3c(cccc13)CC2)C(=O)O 575424238 XLSNOHJMENYGSY-VIFPVBQESA-N 241.290 2.823 0 40 BFAB Cn1cc(-c2cccc3c2CCC3)ccc1=O 904804830 FNUYJKCSOWPUIX-UHFFFAOYSA-N 225.291 2.541 0 40 BFAB c1cnc(N2[C@H]3CC[C@H]2CC(=C2CC2)C3)nc1 1775975653 DUVBXKXCLGFXMZ-STQMWFEESA-N 227.311 2.698 0 40 BFAB Cn1c(=O)c2c(c3ccccc31)OC(C)(C)CC2 345793 QKYGYGWDLFBXPC-UHFFFAOYSA-N 243.306 2.642 0 40 BFAB biogenic O=C(NCc1ccccc1)c1ccc(Cl)nc1 413099 JSNLXSVLOIAAEQ-UHFFFAOYSA-N 246.697 2.665 0 40 BFAB CNC(=S)Nc1cc(C)c(Cl)cc1OC 3251632 GFTQSFKZBVQMFF-UHFFFAOYSA-N 244.747 2.573 0 40 BFAB O=C(CSC1CCCCC1)N1CCCC1 3287080 GUHBHAACNCYWDH-UHFFFAOYSA-N 227.373 2.675 0 40 BFAB CC(C)Sc1nnc(Cc2ccccc2)n1C 6346096 BQUOYLXPDBKPCD-UHFFFAOYSA-N 247.367 2.906 0 40 BFAB Cc1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1C 7751089 SWODGBCPTQQURE-GMSGAONNSA-N 207.248 2.729 0 40 BFAB CCCNC(=O)[C@@H](CC)Oc1ccc(C)cc1 8041520 SRXDQHJLSHVHTH-CYBMUJFWSA-N 235.327 2.679 0 40 BFAB O=C(Cc1nc2ccccc2[nH]1)c1ccccc1 11535713 DROIEDFLBXSKRS-UHFFFAOYSA-N 236.274 2.988 0 40 BFAB Fc1ccc(OCC[C@H]2CCCNC2)cc1 14632368 KIRUVZYDYPXBHS-LLVKDONJSA-N 223.291 2.594 0 40 BFAB O=C(NC1CC1)c1cc2ccccc2s1 17122555 LCSLWUWFQLIHHJ-UHFFFAOYSA-N 217.293 2.794 0 40 BFAB Cc1ccc(-c2nc3ccsc3c(=O)[nH]2)cc1 18085427 WMMVFPDZGPLXSU-UHFFFAOYSA-N 242.303 2.960 0 40 BFAB O=C1CCN(Cc2cccc(Cl)c2)CC1 19430345 MXMSLXHSQYHTJL-UHFFFAOYSA-N 223.703 2.505 0 40 BFAB N=C(N)c1ccc(COc2ccccc2F)cc1 19517880 ABBDHDWRKBFZBY-UHFFFAOYSA-N 244.269 2.689 0 40 BFAB in-vitro COC(=O)c1ccc([C@@H](O)c2ccccc2)cc1 21996490 ZNBIZPXNJOMSFQ-AWEZNQCLSA-N 242.274 2.555 0 40 BFAB O=C(O)c1cc(-c2ccccn2)cs1 26459369 QZWKKBJKDHNPED-UHFFFAOYSA-N 205.238 2.508 0 40 BFAB N[C@@]1(C(=O)O)CCCCC[C@@H]1c1ccccc1 26894876 HOMJXBBZJQKYIN-OCCSQVGLSA-N 233.311 2.516 0 40 BFAB Cc1cc(C)c2ncc(C(=O)O)cc2c1 32099545 BWNQJFIJKMZWGM-UHFFFAOYSA-N 201.225 2.550 0 40 BFAB C[C@@H]1CCCCN1C(=O)C[C@H]1C=CCC1 32747822 DFGIGHKLPCHAPB-NEPJUHHUSA-N 207.317 2.744 0 40 BFAB Cc1ccc(C(=O)N(C)[C@H](C)C2CC2)s1 32907030 PWPXOHKFSBNJNB-SECBINFHSA-N 223.341 2.927 0 40 BFAB Cc1ccc(F)c(/C=C\C(=O)O)c1Cl 33373885 XURAOUQFLKLYBV-HYXAFXHYSA-N 214.623 2.885 0 40 BFAB C[C@@H](NC(=O)OC(C)(C)C)c1ccc(N)cc1 33465774 COSXQRGJLFEFGJ-SECBINFHSA-N 236.315 2.855 0 40 BFAB CC(=O)N[C@@H](C)c1ccc(C(F)(F)F)cc1 38272355 TZTFQNVEGWEGCC-ZETCQYMHSA-N 231.217 2.903 0 40 BFAB CC(C)CSc1nnc(C(F)(F)F)n1C 40159260 NDYQIIBAEHPUOT-UHFFFAOYSA-N 239.266 2.582 0 40 BFAB CC(C)=CC(=O)N(C)Cc1sccc1C 40461207 NGALHGLMPDKDNE-UHFFFAOYSA-N 223.341 2.981 0 40 BFAB Cc1cccc(-c2noc(CN3CCCC3)n2)c1 42121762 AISPTLKJHSUJBU-UHFFFAOYSA-N 243.310 2.641 0 40 BFAB CCOC(=O)c1ccc(OC(C)C)cc1 44200335 OKWWGIURLYRQCW-UHFFFAOYSA-N 208.257 2.651 0 40 BFAB Cc1ccc(NC(=O)c2ccnn2C)cc1Cl 48374116 RBYDABLLKCGQGW-UHFFFAOYSA-N 249.701 2.634 0 40 BFAB Cc1cccc(S[C@H]2CCCCNC2=O)c1 49372988 UYTJZKKDGRVAII-LBPRGKRZSA-N 235.352 2.756 0 40 BFAB OC[C@@H]1C[C@H]1c1cccc(Br)c1 62720177 HNPYNZPAPFEJFT-WPRPVWTQSA-N 227.101 2.545 0 40 BFAB FC1(F)C=C[C@@](F)(C(F)(F)Cl)O1 68591060 SZOWRDXUHNCPBE-VKHMYHEASA-N 208.513 2.663 0 40 BFAB CCc1ccc(C(=O)c2ccc(N)cc2)o1 70671406 BPAFWMNPPPZERW-UHFFFAOYSA-N 215.252 2.655 0 40 BFAB CCCCCCN1CCN(CC2CC2)CC1 71920921 GEUZXDOQLICEDU-UHFFFAOYSA-N 224.392 2.594 0 40 BFAB CCCN1CCC[C@@H]1c1cnc(N)cc1C 72218501 ROMBMHRQDYFZGI-GFCCVEGCSA-N 219.332 2.519 0 40 BFAB Cc1ccc(CC(=O)N2CCCCC2)c(C)c1 74960064 UUALDVYEYYLSFL-UHFFFAOYSA-N 231.339 2.858 0 40 BFAB Fc1cccc(SCC2CCNCC2)c1 79440520 FDVRLBLURYSGGI-UHFFFAOYSA-N 225.332 2.917 0 40 BFAB Cc1cc(C)cc(-c2cc(C)nc(N)n2)c1 87202976 JBBGUQLGBDMRHB-UHFFFAOYSA-N 213.284 2.651 0 40 BFAB CC(C)CCn1ccc(N[C@H]2CCO[C@H]2C)n1 95991637 UAOVYWCJAKFTIN-RYUDHWBXSA-N 237.347 2.519 0 40 BFAB CC[C@@H](SC)C(=O)Nc1ncccc1Cl 97046947 OYESOMVIJFQQST-MRVPVSSYSA-N 244.747 2.815 0 40 BFAB Cc1csc2nc(C3CCCC3)[nH]c(=O)c12 98008852 ZYQFOOHLWJAGNF-UHFFFAOYSA-N 234.324 2.951 0 40 BFAB Cc1ccc(-n2nc(C(F)(F)F)cc2O)cc1 100070167 AJDUWHWJLAGRBC-UHFFFAOYSA-N 242.200 2.905 0 40 BFAB O=C(NCc1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2 102130135 XDJPRXQVKVZIMU-MELADBBJSA-N 229.323 2.739 0 40 BFAB CCCN(c1ccccc1CC)[C@@H](C)C(=O)O 204374931 HRVUAAFWYMIYFE-NSHDSACASA-N 235.327 2.939 0 40 BFAB Cc1cc2c(o1)C[C@@H](C(F)F)CC2=O 217647108 PWRAWWOYCVQJTL-LURJTMIESA-N 200.184 2.598 0 40 BFAB CC(C)c1nc(C2(c3ccc(N)cc3)CC2)no1 225321102 RDEGLCJHSVYXGZ-UHFFFAOYSA-N 243.310 2.855 0 40 BFAB Fc1ccc(CN2CCN[C@H]3CCCC[C@@H]32)cc1 225712483 YOEMQQJWCGJVPD-GJZGRUSLSA-N 248.345 2.542 0 40 BFAB C[C@@H]1CC[C@H](O)[C@@]2(C)CC[C@H](C(C)(C)O)C=C12 230141172 YNBRPGOINKTYTG-MPXAEWJHSA-N 238.371 2.891 0 40 BFAB biogenic,in-vitro O=C(c1cncc(F)c1)N1CCC(=C2CC2)CC1 238810842 AGMAXRQVSPQTJV-UHFFFAOYSA-N 246.285 2.547 0 40 BFAB CC1=CC[C@H]2[C@](C)(CCC[C@@]2(C)CO)[C@H]1CO 248341256 WAROSQLUUOOPIA-LJISPDSOSA-N 238.371 2.750 0 40 BFAB biogenic,in-vitro CN1[C@H]2CC[C@H](Cc3cccc(N)c3)[C@H]1CC2 252497361 QEUXYKJJZOYLDP-VHDGCEQUSA-N 230.355 2.684 0 40 BFAB FC(F)Oc1ccc2[nH]c(Cl)nc2c1 258831147 JNZJAUIKFAIPLU-UHFFFAOYSA-N 218.590 2.818 0 40 BFAB COc1ccc(Nc2cc(C3CC3)ncn2)cn1 670370363 XJVSZJAGJLNHKF-UHFFFAOYSA-N 242.282 2.501 0 40 BFAB CC1(C)COc2cccc(Br)c2O1 675082870 WMNWOMXIMMPDCC-UHFFFAOYSA-N 243.100 2.999 0 40 BFAB COc1ccc2cc([C@@H](C)CO)ccc2c1 1784 LTRANDSQVZFZDG-JTQLQIEISA-N 216.280 2.944 0 40 BFAB biogenic O=C(c1ccccc1)c1ccc2c(c1)OCCO2 249659 MPTQHSCJAADSCG-UHFFFAOYSA-N 240.258 2.689 0 40 BFAB COC(=O)c1ccc(-c2nc(O)c(C)s2)cc1 1385768 PIMOKRKXBVBGIP-UHFFFAOYSA-N 249.291 2.611 0 40 BFAB CCOC(=O)c1cnc2ccccc2c1OCC 1722729 HXIUQCPRCKSUGB-UHFFFAOYSA-N 245.278 2.810 0 40 BFAB CCC(CC)(CO)[C@@H](O)c1ccccc1 2045218 PGIQMCOLYCTABQ-LBPRGKRZSA-N 208.301 2.519 0 40 BFAB Cc1ccc(-n2nc3c(c2N)CSC3)cc1C 2455064 SIWLPGBBIXPRDV-UHFFFAOYSA-N 245.351 2.818 0 40 BFAB COc1ccc(CC2CCNCC2)cc1C 2555453 KZEYUIMALIEZOJ-UHFFFAOYSA-N 219.328 2.546 0 40 BFAB c1ccc(Nc2nc3ccccc3[nH]2)nc1 4005321 REINGBIPBAXWTB-UHFFFAOYSA-N 210.240 2.702 0 40 BFAB aggregator CCCCC(=O)Nc1ccc(C)cc1O 4666477 CBZVFNABLSAHTG-UHFFFAOYSA-N 207.273 2.829 0 40 BFAB CC(=O)OC[C@]12CO[C@@H](C)[C@H](C1)C(C)=C[C@@H]2C 5533124 FLTREWUZEUGCGE-CDGCEXEKSA-N 238.327 2.557 0 40 BFAB biogenic CCCCNC(=O)/C=C/c1ccc(C)cc1 6042636 GJXMWAPMEINKFL-MDZDMXLPSA-N 217.312 2.925 0 40 BFAB COCCn1c(-c2cccc(C)c2)n[nH]c1=S 6412718 CIXNCXDSJYUDNE-UHFFFAOYSA-N 249.339 2.563 0 40 BFAB CC[C@@H](C)NC(=O)[C@H](C)Oc1ccc(C)c(C)c1 8049650 DANDDLRGJRTVAQ-OLZOCXBDSA-N 249.354 2.985 0 40 BFAB CCCCC(=O)Nc1cc(N)ccc1C 8703450 JFTLURJNDSBKLJ-UHFFFAOYSA-N 206.289 2.706 0 40 BFAB CC[C@H](C)NC(=O)c1ccc(OC(F)F)cc1 13007728 MLXKURBUTDWZOF-QMMMGPOBSA-N 243.253 2.816 0 40 BFAB COC[C@H](C)N[C@@H](C)c1ccc(C)s1 19905104 QHCWTYGFOKIWFM-WPRPVWTQSA-N 213.346 2.742 0 40 BFAB CCOc1ccccc1[C@H](C)NCCCOC 20142609 VNSXHFFRFCERMI-LBPRGKRZSA-N 237.343 2.772 0 40 BFAB CN(C)[C@@H](c1ccccc1)[C@@H](N)c1ccccc1 20260354 OEDXASUOCKHCRL-HOTGVXAUSA-N 240.350 2.989 0 40 BFAB CCOc1ccc([C@H](C)NC2CC2)cc1 22142826 HWCXZXVGWYDWOV-JTQLQIEISA-N 205.301 2.898 0 40 BFAB Cc1ccccc1[C@H](C)NC(=O)c1cccnc1 23525044 VCYHUGDKTSFVNO-LBPRGKRZSA-N 240.306 2.881 0 40 BFAB COc1ccc(Cc2noc(C3(C)CC3)n2)cc1 32540705 XJFQQXASBHPXBA-UHFFFAOYSA-N 244.294 2.721 0 40 BFAB Cc1cc(Cl)c2ccc(C(=O)O)cc2n1 32914901 OYEQPWTUUHEXCQ-UHFFFAOYSA-N 221.643 2.895 0 40 BFAB in-vitro CN(Cc1ccccc1)c1nsnc1Cl 35232106 HQGSGZSUAILHDU-UHFFFAOYSA-N 239.731 2.828 0 40 BFAB CC(C)C[C@H](N)CN1CC[C@@H]2CCCC[C@@H]2C1 36810205 BNTIPNUKXBIXGB-ZNMIVQPWSA-N 238.419 2.872 0 40 BFAB CCC(=O)c1c[nH]c2ccc(OC)cc12 36925231 AJDJHTVVZPZFHV-UHFFFAOYSA-N 203.241 2.769 0 40 BFAB CC(C)(C(=O)O)c1ccc(F)cc1Cl 40447889 YGKGQRMGKUXHTG-UHFFFAOYSA-N 216.639 2.841 0 40 BFAB CC1CCC(NC(=O)CCc2ccco2)CC1 40473732 QXMRTHWVYHFLGS-UHFFFAOYSA-N 235.327 2.907 0 40 BFAB C[C@H](NC(=O)CC(F)(F)F)c1ccccc1 40490308 PDANYEFQMMOECR-QMMMGPOBSA-N 231.217 2.816 0 40 BFAB Cc1ccccc1OCC(=O)N[C@@H](C)C(C)C 49535312 VJRRHRWPTGFNER-LBPRGKRZSA-N 235.327 2.535 0 40 BFAB Cc1cccc(N[C@H](C)C(=O)N2CCCC2)c1C 57324368 YJWUBECXPTZYFM-CYBMUJFWSA-N 246.354 2.726 0 40 BFAB Cc1cnn([C@@H](C)[C@@H](C)NC2CCCC2)c1 69459568 WOMVUBFQIYZZAD-NEPJUHHUSA-N 221.348 2.673 0 40 BFAB COCc1cccc(OC(=O)c2ccoc2)c1 71903255 IHNIJFJCUBLRKT-UHFFFAOYSA-N 232.235 2.645 0 40 BFAB CC(C)CCN1CCN([C@@H]2C=CCCC2)CC1 71904849 IDSWMWGVWNYRSR-OAHLLOKOSA-N 236.403 2.759 0 40 BFAB COc1cc(F)ccc1N(C)Cc1ccccn1 71915941 DYLVIACYEMLLGW-UHFFFAOYSA-N 246.285 2.866 0 40 BFAB CCSc1ncccc1[C@@H]1CCCN1 72217163 VRTYOGJPNZEULD-JTQLQIEISA-N 208.330 2.618 0 40 BFAB COc1ccccc1C1(CC(=O)O)CCC1 84401955 BLLMIRJLCUEJGP-UHFFFAOYSA-N 220.268 2.592 0 40 BFAB CC[C@H](N)COCc1ccc(C)c(C)c1 89262647 QZTHWCITLAXGAK-ZDUSSCGKSA-N 207.317 2.557 0 40 BFAB CO[C@@H](C)C(=O)N(C)c1ccc(C(C)C)cc1 89893407 IMOIJRNFKWLOJD-NSHDSACASA-N 235.327 2.808 0 40 BFAB CC[C@H](N[C@@H](C)c1ccco1)[C@@H]1CCCO1 90859133 AFCLUCZSZRNADU-GVXVVHGQSA-N 223.316 2.888 0 40 BFAB CCc1ccc([C@@H](O)c2cccn2C)cc1 95727780 ZDYNVWYISPWWMU-CQSZACIVSA-N 215.296 2.669 0 40 BFAB CCCOc1c(F)cc([C@H](C)O)cc1F 95739587 GIDPOFBJISZVIP-ZETCQYMHSA-N 216.227 2.807 0 40 BFAB O=C(NCCc1cccs1)[C@H]1C[C@H]2CC[C@H]1C2 104734652 AQCQFAWBMCLMAZ-GVXVVHGQSA-N 249.379 2.843 0 40 BFAB CCCCCNCc1cnn(CCC)c1 116912074 FPLRSJMJRHCTFD-UHFFFAOYSA-N 209.337 2.573 0 40 BFAB CCCCC[S@@](=O)c1ccc(OC)cc1 191177912 CODJJWTUGPDBDZ-OAHLLOKOSA-N 226.341 2.993 0 40 BFAB CC1=CCC[C@H](C)[C@@H]1CNC[C@H](C)C[C@H](C)O 252587630 ZNGVJEXTUVATIK-UQOMUDLDSA-N 239.403 2.975 0 40 BFAB CC[C@@H](C)n1ncc(Br)c1COC 408716408 MRAODQRKCVQTNS-SSDOTTSWSA-N 247.136 2.763 0 40 BFAB CN(c1ccc2ccccc2n1)[C@@H]1CCC[C@@H]1O 585298208 RJELDFTWYWKROR-KGLIPLIRSA-N 242.322 2.584 0 40 BFAB Oc1ccc(Oc2ccccc2O)cc1 162388 FPIMVFPKSQDJJM-UHFFFAOYSA-N 202.209 2.890 0 40 BFAB c1ccc2c(c1)c1c3n2CCN[C@@H]3CCC1 170647 FPJQYYCGLQSBMU-GFCCVEGCSA-N 212.296 2.622 0 40 BFAB COc1ccc(NC(=O)c2cccs2)cc1O 822785 NTTYRHXFPFTUBX-UHFFFAOYSA-N 249.291 2.715 0 40 BFAB NC(=O)c1ccccc1Oc1ccccc1 2774449 CJCOBMTYEDBBSY-UHFFFAOYSA-N 213.236 2.578 0 40 BFAB CCOC(=O)c1c(N)sc2c1CCCS2 3335205 LABKGAIXIOECKO-UHFFFAOYSA-N 243.353 2.545 0 40 BFAB Cc1noc(C)c1COC(=O)/C=C/c1ccco1 3344120 WYWVAMFDPGBNMR-AATRIKPKSA-N 247.250 2.641 0 40 BFAB CC1(C)[C@H]2CC[C@@H](O)[C@@]3(C)CC[C@](C)(O)[C@H]3[C@H]21 4104721 NRGJKTHILQTODV-XUGXRQAHSA-N 238.371 2.581 0 40 BFAB biogenic,in-vitro CCSc1nnc(C)n1-c1ccccc1C 4358684 DFMLJLUADJBOFB-UHFFFAOYSA-N 233.340 2.996 0 40 BFAB CC1=C[C@@H](C)[C@@]2(CO)CO[C@H](C(C)C)[C@@H]1[C@H]2C 5527931 BNAPJYMSXNSYQF-UXXRCYHCSA-N 238.371 2.868 0 40 BFAB O=C(O)c1ccc(CNc2ccc(F)cc2)o1 8729667 CMOQGPBGFRFCBH-UHFFFAOYSA-N 235.214 2.729 0 40 BFAB CC(=O)c1cccc(OCC(F)(F)F)c1 19510888 FHWHKULAMSCZGB-UHFFFAOYSA-N 218.174 2.830 0 40 BFAB CC(C)c1noc(COc2cccc(C=O)c2)n1 22120801 WCZDYHUIZFTSBU-UHFFFAOYSA-N 246.266 2.585 0 40 BFAB Cc1cccc(C(=O)N[C@H](C)c2cccs2)n1 24909439 CZVPWSXNWGXSMQ-SNVBAGLBSA-N 246.335 2.943 0 40 BFAB C[C@H](C1CC1)N(C)C(=O)Nc1ccccc1 25511702 QQCKYPRPBJMSMT-SNVBAGLBSA-N 218.300 2.949 0 40 BFAB COC(=O)c1cc2cc(Cl)ccc2o1 26461603 IBWFLLGVHGBDGX-UHFFFAOYSA-N 210.616 2.873 0 40 BFAB in-vitro Cc1ccc2c(C(=O)O)ccnc2c1C 26475350 FROOOGKOFBRASO-UHFFFAOYSA-N 201.225 2.550 0 40 BFAB CC1=C(C)[C@@H]2C(NCC(C)C)=NC=N[C@H]2S1 28616872 RAARFHHCJIEQNK-PWSUYJOCSA-N 237.372 2.655 0 40 BFAB C/C=C/C=C/C(=O)Nc1ccccc1N(C)C 33121951 HWVCWKSKDBFLMJ-LJIKRCSCSA-N 230.311 2.823 0 40 BFAB ClC(Cl)(Cl)OCCc1ccncc1 33414703 DBXPAJNMYMYLQU-UHFFFAOYSA-N 240.517 2.968 0 40 BFAB CC(C)Oc1ccc(C(=O)C2CCNCC2)cc1 34956735 YBMNIPKGHLSLOM-UHFFFAOYSA-N 247.338 2.656 0 40 BFAB CCc1cc(C(=O)O)c2c(C(C)C)noc2n1 37288878 PTBZCNKPNPBBSM-UHFFFAOYSA-N 234.255 2.607 0 40 BFAB in-vitro COc1c(C=O)cc(F)c2ccccc12 39118085 LGVVDIVKCOECIV-UHFFFAOYSA-N 204.200 2.800 0 40 BFAB O=C(CCc1ccccc1F)N1CCCCC1 40461171 MVVLLCYDQVROCX-UHFFFAOYSA-N 235.302 2.771 0 40 BFAB Cc1ccc(NC(=O)N2CCCC2)cc1F 40498715 JUJDDHDHNPELMY-UHFFFAOYSA-N 222.263 2.762 0 40 BFAB Cc1ccc(C(=O)O)cc1Oc1ccncc1 42415649 WASXRDGYZMWQGG-UHFFFAOYSA-N 229.235 2.881 0 40 BFAB COc1ccc(C(=O)c2cccc(C)n2)cc1 45028462 LMQWNNHDYABVGM-UHFFFAOYSA-N 227.263 2.630 0 40 BFAB CCN(CC)C(=O)Cc1ccccc1Cl 46870045 FSFHUYZGMPZNIU-UHFFFAOYSA-N 225.719 2.751 0 40 BFAB COc1ccc(NC(=O)C2CC2)c2cccnc12 48948017 SGISCAFGIMAZKC-UHFFFAOYSA-N 242.278 2.592 0 40 BFAB Fc1cccc2c1CC[C@H]2Nc1ncccn1 49322124 JFOIDCIHDQCEDO-GFCCVEGCSA-N 229.258 2.715 0 40 BFAB CCc1ccc(CN(C)[C@H](CC)C(=O)O)cc1 49962206 MVWHRRCZZIVXJK-CYBMUJFWSA-N 235.327 2.544 0 40 BFAB CNCC1(c2ccc(Br)cc2)CC1 53738253 AVXVNIGSWYFIES-UHFFFAOYSA-N 240.144 2.700 0 40 BFAB in-vitro NC[C@@H]1C[C@H]1c1ccc(Br)s1 54561696 APXHCHCKIOXMBP-NTSWFWBYSA-N 232.146 2.573 0 40 BFAB NC[C@@H]1C[C@@H]1c1ccc(OC(F)(F)F)cc1 54561826 CHTTXSUANLALNH-WCBMZHEXSA-N 231.217 2.647 0 40 BFAB Cc1cc(N)ccc1N1CCC[C@H](C)C1 57381055 UUYHLWFKKQINAX-JTQLQIEISA-N 204.317 2.814 0 40 BFAB in-vitro CC(C)n1cc(NCc2cccc(O)c2)cn1 61682699 ZUGCSKVNJNMQMM-UHFFFAOYSA-N 231.299 2.782 0 40 BFAB Cc1cc(CCO)cnc1Nc1ccccc1 72222290 ZXSRIXUQURPKES-UHFFFAOYSA-N 228.295 2.668 0 40 BFAB CCc1cnc(CN2C[C@@H]3CC=CC[C@H]3C2)o1 75768011 AHCDERNGUXJEHD-RYUDHWBXSA-N 232.327 2.635 0 40 BFAB C[C@@H](CN)c1ccccc1Br 82371265 CRNLZUICRPVNBC-ZETCQYMHSA-N 214.106 2.511 0 40 BFAB Cc1c(Cl)nc(-c2ncccn2)nc1Cl 82473914 VBDCLQXMHQXGGZ-UHFFFAOYSA-N 241.081 2.549 0 40 BFAB CCc1sc(CN)cc1Br 85392803 RCZSXNZHPNUASX-UHFFFAOYSA-N 220.135 2.532 0 40 BFAB CCCC(=O)N1CCC(C(F)(F)F)CC1 88439173 IXWIFGHHGGKJRA-UHFFFAOYSA-N 223.238 2.587 0 40 BFAB Cc1ncccc1NCc1ccc2c(c1)OCO2 91495820 QIZWAHZCOCQEHG-UHFFFAOYSA-N 242.278 2.731 0 40 BFAB C[C@@H](NC(=O)[C@H]1C[C@H]2C=C[C@H]1C2)C(C)(C)C 102758817 QAQHFAXTYBYZJM-RHYQMDGZSA-N 221.344 2.749 0 40 BFAB Cc1ccccc1O[C@H](C)C(=O)N[C@@H](C)C(C)C 225215926 GFRUDCUOOLTPKB-QWHCGFSZSA-N 249.354 2.923 0 40 BFAB Cc1nccc([C@H]2CCCN(CC3CCC3)C2)n1 257304625 SMKFSZWROWLMCD-AWEZNQCLSA-N 245.370 2.765 0 40 BFAB S=C(NCc1ccco1)c1ccccc1 408574828 MXMRYSATEVKZAS-UHFFFAOYSA-N 217.293 2.745 0 40 BFAB CCCc1ccc(OCc2nnc(N)s2)cc1 184299 WLQRDKXFGYHBBU-UHFFFAOYSA-N 249.339 2.652 0 40 BFAB C[C@@H](O)c1cccc(NC(=O)c2ccccc2)c1 383817 INEZYUZGFVKXPD-LLVKDONJSA-N 241.290 2.992 0 40 BFAB O=C(NCc1ccccc1Cl)c1ccc[nH]1 1404027 MMJXRHGQHYDTRP-UHFFFAOYSA-N 234.686 2.598 0 40 BFAB Nc1ncncc1-c1ccc2ccccc2c1 1561462 KXKBOAGQXWRCEG-UHFFFAOYSA-N 221.263 2.879 0 40 BFAB O=C(Cc1ccccc1C(=O)O)c1ccccc1 1594156 MLCPCDOOBNXTFB-UHFFFAOYSA-N 240.258 2.810 0 40 BFAB CC1=C(c2ccco2)[C@@H](c2ccco2)OC1=O 1608247 NGZIRXFYGLFTII-GFCCVEGCSA-N 230.219 2.944 0 40 BFAB CCC[C@H](C(=O)OCC)[C@H](C)OC(=O)OCC 1684887 TWARFOBPXLKSSL-UWVGGRQHSA-N 246.303 2.527 0 40 BFAB CCCOC(=O)c1ccc(NC(=O)CC)cc1 1807991 ITNRCWVFPMGWPX-UHFFFAOYSA-N 235.283 2.602 0 40 BFAB CCOC(=O)CCC(=O)c1cc(C)ccc1C 2378835 XFDVVUZNDMIQOX-UHFFFAOYSA-N 234.295 2.829 0 40 BFAB Nc1cc(F)ccc1OCc1ccco1 2538777 CYDYROXKLBOSNI-UHFFFAOYSA-N 207.204 2.580 0 40 BFAB Cc1oc2ncnc(NCC(C)C)c2c1C 5350631 MHTASSNRLXCMPH-UHFFFAOYSA-N 219.288 2.908 0 40 BFAB CCC(=O)Nc1ccc(Cl)cc1F 5916353 ZRMJPFLSUNFFIH-UHFFFAOYSA-N 201.628 2.828 0 40 BFAB O=Cc1cccc(-c2cccc(C=O)c2)c1 6221011 KRCLRHSEMGXKMY-UHFFFAOYSA-N 210.232 2.979 0 40 BFAB in-vitro CCOc1ccc2nc(NN=O)sc2c1 6411344 YNJGUZRJUPXCGL-UHFFFAOYSA-N 223.257 2.788 0 40 BFAB C[C@H]1CC(=O)c2cnn(-c3ccccc3)c2C1 8559620 FWAFCOQCRNJQPS-SNVBAGLBSA-N 226.279 2.637 0 40 BFAB CCNC(=O)CNc1cc(Cl)ccc1Cl 10024203 NQPKZTWCQUAQKZ-UHFFFAOYSA-N 247.125 2.541 0 40 BFAB COc1cccc(C[C@H](N)c2ccccc2)c1 11603355 XOYULUHRZSJAEF-HNNXBMFYSA-N 227.307 2.938 0 40 BFAB in-vitro Cc1cc(Cl)ccc1NC(=O)c1cnn(C)c1 15513864 MTCBCNPCWMOWAH-UHFFFAOYSA-N 249.701 2.634 0 40 BFAB O=C(O)c1ccc(CN2CCCCCC2)s1 16943921 FLDMGMFCFPJMHW-UHFFFAOYSA-N 239.340 2.822 0 40 BFAB O=C(NCCc1cccs1)c1ccc(F)cc1 17909501 DEBGYNWUVZNQTN-UHFFFAOYSA-N 249.310 2.860 0 40 BFAB CCCCNC[C@H]1CCCCN1C(C)C 22073528 FEGOLHOTBCMJKN-CYBMUJFWSA-N 212.381 2.639 0 40 BFAB C[C@@H]1CCCN(C(=O)c2cc(Cl)c[nH]2)C1 29509736 KLOHOOOKGXEDIH-MRVPVSSYSA-N 226.707 2.540 0 40 BFAB COCCNCc1ccc(OC2CCCC2)cc1 32104776 FKMQKYWLIANNIG-UHFFFAOYSA-N 249.354 2.744 0 40 BFAB Cc1cc(C)c(OCC(=O)N(C)C2CC2)c(C)c1 32814903 VMBLKUSEAMXIOZ-UHFFFAOYSA-N 247.338 2.611 0 40 BFAB CCOc1ccc([C@@H]2CCCN2C(C)=O)cc1 32820989 PWHYTTMZZVJLRW-AWEZNQCLSA-N 233.311 2.769 0 40 BFAB O=C(O)c1ccc(NCC2CCCCC2)nc1 37260089 RMFBINNCYCZBAY-UHFFFAOYSA-N 234.299 2.772 0 40 BFAB CCn1c([C@H](C)O)nc2cc(Cl)ccc21 40417186 DCPSMZWUTMAWQN-ZETCQYMHSA-N 224.691 2.763 0 40 BFAB CN1CCCC[C@H]1CCSc1nncs1 40456989 HTEHRKNSQVWKSU-VIFPVBQESA-N 243.401 2.505 0 40 BFAB CC[C@H](C)NC(=O)Nc1cccc(C(C)=O)c1 40525804 WQHRTLUNMHJSOG-VIFPVBQESA-N 234.299 2.809 0 40 BFAB Cn1c(C(=O)N2CCCC2)cc2ccc(F)cc21 40789149 FQNIXPBOAZESOV-UHFFFAOYSA-N 246.285 2.553 0 40 BFAB Cc1nc2cc(NC(=O)N(C)C)ccc2s1 41566143 CHNDKXLNFOINLN-UHFFFAOYSA-N 235.312 2.698 0 40 BFAB CNC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C 47831808 DPUBABNNMVWDAM-NSHDSACASA-N 235.327 2.632 0 40 BFAB CNC[C@H]1C[C@@H]1c1cccc(Br)c1 54588627 ROLXHRUBVTTXBY-MWLCHTKSSA-N 240.144 2.772 0 40 BFAB Cc1ccccc1C(=O)N[C@H](C)C(C)C 57159826 PASVCRCUGSNQGK-LLVKDONJSA-N 205.301 2.769 0 40 BFAB COC(=O)c1cc(-c2ccc(F)cc2)c[nH]1 66322531 FQSJPQVTTBZAEU-UHFFFAOYSA-N 219.215 2.607 0 40 BFAB CCCN(C)C(=O)N[C@@H]1C[C@@H]1c1ccccc1 69104122 RWBDAHYHTPULSN-CHWSQXEVSA-N 232.327 2.594 0 40 BFAB Cc1cc(C)c2nccc(/C=C/C(=O)O)c2c1 72206431 VSDDXRXZXCIDIC-ONEGZZNKSA-N 227.263 2.949 0 40 BFAB C[C@H](N)c1ccc(Oc2ccccc2)nc1 72225183 MAYSCOIXXXQZQL-JTQLQIEISA-N 214.268 2.894 0 40 BFAB CC(C)(C)c1cnn(-c2ccccc2O)c1 75626703 UCXJWSZQNMIGIJ-UHFFFAOYSA-N 216.284 2.875 0 40 BFAB CN(C)c1ccccc1C(=O)C(C)(C)C 75854819 WEOGKUCKZPAYIR-UHFFFAOYSA-N 205.301 2.981 0 40 BFAB CCN(CC)c1cc(Cl)nc(Cl)n1 91363906 YFSJURSHUSIMQY-UHFFFAOYSA-N 220.103 2.630 0 40 BFAB CCc1nc(CNc2ccc(F)c(F)c2)no1 95412862 LZXOUBWMWYWYKE-UHFFFAOYSA-N 239.225 2.522 0 40 BFAB CC1=CCC[C@H](C)[C@@H]1CNC[C@@H]1CCCO1 95986277 GRUXOBZAZYLTME-MELADBBJSA-N 223.360 2.747 0 40 BFAB CCC(=O)N(C)c1ccc(F)c(Cl)c1 95989017 WVBOYZHHBYWCIU-UHFFFAOYSA-N 215.655 2.852 0 40 BFAB Cc1ccccc1C(=O)NC(C)(C)C(C)(C)CO 96006403 HSWLLNQUOQDGTD-UHFFFAOYSA-N 249.354 2.522 0 40 BFAB Cc1cccc(NC(=O)[C@H]2C[C@@H]3CC[C@@H]2C3)n1 100538829 BFYXIFPDPBGSPZ-UTUOFQBUSA-N 230.311 2.765 0 40 BFAB CCN(CC)/C(=C/Cl)Nc1ccccn1 104290433 RCPWQPLWCDSPOO-PKNBQFBNSA-N 225.723 2.873 0 40 BFAB COc1ccc(-n2cccc2CO)cc1Cl 223736324 GAGBPMCAXRTYFQ-UHFFFAOYSA-N 237.686 2.632 0 40 BFAB CC(C)OCc1ccnn1C1CCCC1 408716679 PQNCBLUOLPZSSZ-UHFFFAOYSA-N 208.305 2.923 0 40 BFAB O=C(c1cccc2[nH]ccc12)N1CC[C@@H](CF)C1 711491566 RRGMEZBEGOAIDS-JTQLQIEISA-N 246.285 2.600 0 40 BFAB CC1(C)C(C(=O)Nc2ccccn2)C1(C)C 390407 VPSOXTGELRMRGM-UHFFFAOYSA-N 218.300 2.702 0 40 BFAB CCNC(=O)Oc1ccccc1-n1cccc1 1397901 QGEKOQRKUWHMDG-UHFFFAOYSA-N 230.267 2.586 0 40 BFAB CCOC(=O)CC[C@@]1(C)OCC(C)(C)[C@@H](C)O1 1667403 BXJLGLKPKQSHGT-MFKMUULPSA-N 244.331 2.507 0 40 BFAB CCCCCC[C@@H]1N=C(C)O[C@H]1C(=O)OCC 2077681 YTAGBHAZHZJPHG-NWDGAFQWSA-N 241.331 2.706 0 40 BFAB CC1(C)CCC[C@@]2(C)[C@@H](CO)[C@](C)(O)CC[C@H]12 4854757 MLWFPIRGSGERCY-QHSBEEBCSA-N 240.387 2.972 0 40 BFAB biogenic OCCSCc1cccc(Cl)c1 5713981 ZDQUKLMFVWJWBE-UHFFFAOYSA-N 202.706 2.566 0 40 BFAB CCOc1ccccc1CN[C@H](C)CC 5907301 KMGHXUSBVKMPAY-LLVKDONJSA-N 207.317 2.973 0 40 BFAB CSc1nnc(COc2ccc(C)cc2)o1 10475581 YRIUEDICAKPKSS-UHFFFAOYSA-N 236.296 2.679 0 40 BFAB NCc1ccccc1NCc1ccccc1 11757299 AZRBAHRGYUSOJN-UHFFFAOYSA-N 212.296 2.757 0 40 BFAB Cc1cc2cc(C)c(NCCN)nc2cc1C 13998667 FAKSJXGHUONEFH-UHFFFAOYSA-N 229.327 2.531 0 40 BFAB Cc1cccc(O[C@H](C)C(=O)NC(C)(C)C)c1 14399403 VORRIFCRPWXNSK-LLVKDONJSA-N 235.327 2.677 0 40 BFAB C[C@H]1C[C@@H]1C(=O)Nc1ccc(F)c(F)c1F 15002892 KGRUTMGZAZREQL-WDSKDSINSA-N 229.201 2.698 0 40 BFAB Cc1cccc(CNC(=S)NC(C)(C)C)c1 16349207 PXRODCXHDBIAEH-UHFFFAOYSA-N 236.384 2.758 0 40 BFAB COc1ccc([C@H](N)c2ccccc2OC)cc1 19421313 YFEPNAXCRDJMES-HNNXBMFYSA-N 243.306 2.752 0 40 BFAB in-vitro CCCCCNC(=O)c1ccc(O)c(Cl)c1 19837993 QMSCLRDCIGKIOA-UHFFFAOYSA-N 241.718 2.966 0 40 BFAB CC(C)=C[C@H]1[C@H](C(=O)N2CCCC2)C1(C)C 32843261 OILFIJKSVULUJO-NWDGAFQWSA-N 221.344 2.847 0 40 BFAB O=c1cc(O)[nH]c2cc(Cl)c(Cl)cc12 34240258 IRLSMEWCRFYXHM-UHFFFAOYSA-N 230.050 2.541 0 40 BFAB c1ccc(-c2c[nH]c(C3CCNCC3)n2)cc1 34929379 QJRQTWKTKQULMZ-UHFFFAOYSA-N 227.311 2.544 0 40 BFAB CCN[C@H](c1ccc(F)cc1)c1cccnc1 35539838 JEZNSAGYSXVBAE-CQSZACIVSA-N 230.286 2.920 0 40 BFAB in-vitro Cc1cc(C(=O)N[C@H](C)c2cccs2)on1 36397530 QNOCOAVVMQVZGU-MRVPVSSYSA-N 236.296 2.536 0 40 BFAB CCOC(=N)c1ccc(Br)cc1 37928020 SKFQJMAGPTUFEW-UHFFFAOYSA-N 228.089 2.811 0 40 BFAB CSCC(=O)c1cccc(Br)c1 38064063 VLZKPMDERIPPPR-UHFFFAOYSA-N 245.141 2.995 0 40 BFAB Cc1ccc(OCC(=O)N[C@@H](C)C(C)C)cc1C 41104079 GZSXAZAMZFCULR-ZDUSSCGKSA-N 249.354 2.843 0 40 BFAB Cc1cc(NC(=O)C2CCCC2)ccc1C(=O)O 44749778 PQZDKJGCDVTWMD-UHFFFAOYSA-N 247.294 2.822 0 40 BFAB NC(=S)Cc1cccc(Cl)c1Cl 44960004 CQISWWFJLHJASS-UHFFFAOYSA-N 220.124 2.822 0 40 BFAB Cc1ccc(C(=O)N2C[C@H](C)OC[C@H]2C)c(C)c1 45523787 AZHVGEDVGQOFLE-OLZOCXBDSA-N 247.338 2.553 0 40 BFAB Cc1nc(C(=O)O)ccc1-c1ccccc1 71256498 SUTSUPHFURYRDL-UHFFFAOYSA-N 213.236 2.755 0 40 BFAB CSc1ccc([C@@H](O)c2ccccc2)cn1 72225088 DAVOYGWXBPRBNS-ZDUSSCGKSA-N 231.320 2.885 0 40 BFAB Clc1cc(COCc2ccccc2)ncn1 72267215 NUKBJRZXHSFACD-UHFFFAOYSA-N 234.686 2.847 0 40 BFAB in-vitro Nc1cc(Cl)c(-n2cccn2)c(Cl)c1 76068808 VPATXEHBFSDTAS-UHFFFAOYSA-N 228.082 2.761 0 40 BFAB CC[C@H](C(=O)Nc1cccc(Cl)c1)N(C)C 84718770 RSJVBMNRAOVYCJ-LLVKDONJSA-N 240.734 2.619 0 40 BFAB Cc1c(Cl)cccc1C(=O)CCC(=O)O 95634079 ANBVEZBUVGQORU-UHFFFAOYSA-N 226.659 2.696 0 40 BFAB CC(C)CSc1cccc(CCO)c1 95731620 DLLAGDTVNPDLIS-UHFFFAOYSA-N 210.342 2.970 0 40 BFAB COc1cc(Br)c(F)cc1C 98210758 HNLZKEVRYNYHOT-UHFFFAOYSA-N 219.053 2.905 0 40 BFAB CC(=O)NC12CC3C[C@H]4C5CC(C[C@@H]41)C[C@H]2[C@@H]5C3 100014022 XADNPTMHMQGTJZ-XYPGPRFFSA-N 245.366 2.583 0 40 BFAB Cc1nc(-c2ccccc2)c(N)n1C1CC1 100761209 LOTSSVSRLUCMGW-UHFFFAOYSA-N 213.284 2.776 0 40 BFAB NN[C@@H](c1ccccc1)C1CCCCC1 161792975 JOGQVYQKXSCYKK-ZDUSSCGKSA-N 204.317 2.771 0 40 BFAB Cc1nnc(SC[C@@H]2CCC(C)(C)O2)s1 187336530 GSNZBUUWCOZHBL-QMMMGPOBSA-N 244.385 2.896 0 40 BFAB COc1cc(N)c(Br)c(Cl)c1 216843249 NUFMHMDZVPZSKE-UHFFFAOYSA-N 236.496 2.693 0 40 BFAB COC(=O)[C@@H]1CC[C@@H]1Sc1ccccc1 217792078 QWRZVWSQDKEBDJ-MNOVXSKESA-N 222.309 2.730 0 40 BFAB Cc1ccc(N2CCN[C@@H]3CCCC[C@H]32)cc1 218832415 JKKFKYFPQRLDGM-HUUCEWRRSA-N 230.355 2.716 0 40 BFAB CC[C@@H](Cl)C(=O)c1ccc(N(C)C)cc1 382676268 RZHNOEHZKBHTED-LLVKDONJSA-N 225.719 2.953 0 40 BFAB N[C@H]1CC(=O)c2c(Cl)sc(Cl)c21 1638247 BAGAALISAFYOGI-REOHCLBHSA-N 222.096 2.641 0 40 BFAB Cc1cc(Nc2ccccc2Cl)nc(N)n1 1676605 SFBNWGSZNMAJTK-UHFFFAOYSA-N 234.690 2.764 0 40 BFAB COc1ccc(C(=O)N2CCCC[C@H]2C)cc1 5515809 SGLSSNVBXPORFL-LLVKDONJSA-N 233.311 2.710 0 40 BFAB CCC[C@@H](C)C(=O)Nc1ccc(N)c(C)c1 8703489 MQYMIRFHCDOPTP-SECBINFHSA-N 220.316 2.952 0 40 BFAB CCCOCCCOc1ccccc1C=O 8731434 DOUORNZFKVSQGY-UHFFFAOYSA-N 222.284 2.695 0 40 BFAB Cc1nc2ccccc2nc1-c1ncc(N)s1 16265652 JMGLQGYCWMGCHD-UHFFFAOYSA-N 242.307 2.644 0 40 BFAB Cc1cccc(Nc2cc(C(=O)O)ccn2)c1 19845300 UIRQINHEJOFUDN-UHFFFAOYSA-N 228.251 2.832 0 40 BFAB Nc1cccc(NC(=O)N2CCCCCC2)c1 21010784 QDSNBYNPBMEGQW-UHFFFAOYSA-N 233.315 2.677 0 40 BFAB in-vitro Cc1ccsc1CNC(=O)c1ccccc1O 25678411 CSIXHZICKFJUFL-UHFFFAOYSA-N 247.319 2.692 0 40 BFAB O=Cc1ccc(N2CCc3ccccc3C2)o1 31973670 QSXMYUPDAMETIP-UHFFFAOYSA-N 227.263 2.655 0 40 BFAB CCCCC(=O)N1CCO[C@@H](c2ccccc2)C1 36076017 JHLCESZOWJGWSH-CQSZACIVSA-N 247.338 2.777 0 40 BFAB C=CC(=O)Nc1ccccc1C(F)(F)F 36334192 NHFXQZUVAMCIIX-UHFFFAOYSA-N 215.174 2.830 0 40 BFAB Nc1ccccc1-c1nc(C2CCCC2)n[nH]1 41161616 OIKZORXRRNBYJT-UHFFFAOYSA-N 228.299 2.712 0 40 BFAB c1ccc(CNc2cnc3ccccc3n2)nc1 41872406 IXYZGVZMTAICMU-UHFFFAOYSA-N 236.278 2.637 0 40 BFAB O=C(O)CCC(=O)c1ccccc1C(F)(F)F 43214137 XBHFJUYTHQXMEA-UHFFFAOYSA-N 246.184 2.753 0 40 BFAB Cc1ccnc(C(=O)c2ccccc2F)c1 45028597 MUPVSDVXKZDWTB-UHFFFAOYSA-N 215.227 2.760 0 40 BFAB CCN(Cc1nc(C)no1)C1CCCCC1 45770574 TXHIZFODCVAQJV-UHFFFAOYSA-N 223.320 2.533 0 40 BFAB CC(C)c1cc(NC(=O)C2CCCC2)[nH]n1 49044506 OJHXEPCQZUPXDT-UHFFFAOYSA-N 221.304 2.662 0 40 BFAB CCNc1ncc(CNC2CCCCCC2)cn1 62717551 MGRSKTPDILYQGU-UHFFFAOYSA-N 248.374 2.721 0 40 BFAB CCC(C)(C)NCc1cnc(NC(C)C)nc1 62717648 BSLVXNCQLIWRMQ-UHFFFAOYSA-N 236.363 2.575 0 40 BFAB CC(=O)c1nc2cc(C(F)(F)F)ccc2n1C 64874482 RFOMHEPQLKQTPK-UHFFFAOYSA-N 242.200 2.795 0 40 BFAB in-vitro COC[C@@](O)(c1ccccc1)c1ccc(C)cc1 68728497 FMJQSHVBMYEJNP-MRXNPFEDSA-N 242.318 2.877 0 40 BFAB O=C(O)[C@@H]1CCC[C@H](CC(F)(F)F)C1 75135424 QIDHTBAGCKXPJI-NKWVEPMBSA-N 210.195 2.830 0 40 BFAB CC(C)Cn1cc(NC2CCSCC2)cn1 90200116 GUZDTXSJVVIBJK-UHFFFAOYSA-N 239.388 2.847 0 40 BFAB COc1cccc(CNC[C@@H]2CCO[C@H](C)C2)c1 95457719 LVPSHDBNVJBBSE-TZMCWYRMSA-N 249.354 2.600 0 40 BFAB CC[C@H](N)c1ccc(OC(F)(F)F)cc1 95672806 ALSSGLWYMLSONR-VIFPVBQESA-N 219.206 2.995 0 40 BFAB CC(C)[C@H]1OCC[C@@H]1CNc1ccccn1 96453808 XVCYMPDDGVYKPL-DGCLKSJQSA-N 220.316 2.555 0 40 BFAB COCC[C@@H](C)Nc1cccc(N(C)C)c1C 97095493 OWVKMSFWMRURKN-LLVKDONJSA-N 236.359 2.898 0 40 BFAB O=C(O)c1cc(C2CC2)c(Cl)s1 98180991 GLJZZDMCKDFNNF-UHFFFAOYSA-N 202.662 2.977 0 40 BFAB Cc1c(Cl)c(C)c(CO)c(O)c1Cl 145734447 JMCPKPHETMKJDQ-UHFFFAOYSA-N 221.083 2.808 0 40 BFAB Cc1ccn(-c2ccccc2Br)n1 149532227 FKMHSCGECJTYHM-UHFFFAOYSA-N 237.100 2.943 0 40 BFAB CCCCNC(=O)CCc1ccc(OC)c(C)c1 223279869 GHGAYDIIORANNM-UHFFFAOYSA-N 249.354 2.853 0 40 BFAB CCO[C@H](Cc1cccc2ccccc12)C(=O)O 225049690 SWBXDPUDUSCWFE-CQSZACIVSA-N 244.290 2.872 0 40 BFAB CC[C@@H](C)Nc1ccc(N)cc1C(=O)NC(C)C 225454170 ZQROHOHDDMEERA-SNVBAGLBSA-N 249.358 2.617 0 40 BFAB CCc1ccc(C(=O)OC)n1[C@@H](C)CC 226022100 VVLABAWADUNSSE-VIFPVBQESA-N 209.289 2.808 0 40 BFAB CC(=O)Nc1cc(N)ccc1N1CCCC[C@H]1C 226253399 KAIIXAZDGFQJBJ-SNVBAGLBSA-N 247.342 2.606 0 40 BFAB CC[C@H](C)n1ccc(NCc2cc(C)nn2C)n1 256053577 RZSZXXXBSKNRNR-NSHDSACASA-N 247.346 2.508 0 40 BFAB c1ccc2c(N3C[C@H]4CCC[C@@H]4C3)ncnc2c1 268285447 XILCPVAECAUKSM-VXGBXAGGSA-N 239.322 2.866 0 40 BFAB Oc1ccc(Cl)c(CN2CC[C@H]2C(F)F)c1 931429296 XEKGMBIZYVBARH-JTQLQIEISA-N 247.672 2.885 0 40 BFAB Sc1nnc(NCc2cccs2)s1 99802 MPSGCOIDZLKDBU-UHFFFAOYSA-N 229.355 2.500 0 40 BFAB CC1(C)c2ccccc2N2CCC(O)=N[C@@]21C 518804 ASXASADEFMUYPU-AWEZNQCLSA-N 230.311 2.861 0 40 BFAB biogenic Cn1c(-c2ccccc2)nc2cc(N)ccc21 804274 GIKCUSHEAWLHRH-UHFFFAOYSA-N 223.279 2.823 0 40 BFAB CC(=O)Nc1ccc2c(c1)Cc1cccc(O)c1-2 1700223 LAMHNIXDQRUHBE-UHFFFAOYSA-N 239.274 2.922 0 40 BFAB biogenic,in-vitro CC(C)[C@@H]1C[C@H](C)CC[C@@H]1O[C@H]1C=CC(=O)O1 4114336 CLAZQKKQQKBAAC-OWTLIXCDSA-N 238.327 2.903 0 40 BFAB C[C@]12CC[C@H](C(=O)C1)[C@@]1(C)CCCC(=O)[C@H]21 5029052 UEPGLNMUFRMDAW-WBMYTEFPSA-N 220.312 2.751 0 40 BFAB Cc1ccc(-n2cccc2CO)cc1Cl 8701685 BQTZVSGDFCSKSE-UHFFFAOYSA-N 221.687 2.931 0 40 BFAB C[C@@H](NC(=O)Nc1cccnc1)c1ccccc1 9322787 BXBCZJPQWYKLQS-LLVKDONJSA-N 241.294 2.964 0 40 BFAB CC[C@@H](Cc1ccc(Cl)cc1)C(=O)O 11976814 IWBJRTQHZPJDMQ-VIFPVBQESA-N 212.676 2.993 0 40 BFAB O=C(C1CC1)N1CCc2cc3ccccc3nc21 15841730 PSVJNHHMQCNFFH-UHFFFAOYSA-N 238.290 2.534 0 40 BFAB CCN(CC)C(=O)c1cc(Cl)ccc1O 19837018 UXYVAZTWLJBBRL-UHFFFAOYSA-N 227.691 2.528 0 40 BFAB CC[C@@H](C)[C@H](N)CN1CCCCCCC1 20266206 YNWDMNUQHPRGFR-CHWSQXEVSA-N 212.381 2.626 0 40 BFAB C[C@H](Sc1ccccc1Cl)C(=O)N(C)C 32741546 TVMQTVFEEXGLGY-QMMMGPOBSA-N 243.759 2.909 0 40 BFAB COc1cc(Cl)c(C(=O)O)c(Cl)c1 34304778 TYMXOVAJNLGZQC-UHFFFAOYSA-N 221.039 2.700 0 40 BFAB Cn1nc(-c2cc(Cl)ccc2Cl)cc1N 36938264 FVFQZFHZPJFLCE-UHFFFAOYSA-N 242.109 2.976 0 40 BFAB Clc1ncccc1NCc1ccccn1 36982741 UWXXQCJULXLHTK-UHFFFAOYSA-N 219.675 2.742 0 40 BFAB O=C(O)Cc1c(Cl)ccc(Cl)c1F 38529771 MYZIXNBBBSGEIP-UHFFFAOYSA-N 223.030 2.760 0 40 BFAB C[C@H](NC(=O)C1CC1)c1ccc(Cl)s1 40074653 GRVINRCELRCURX-LURJTMIESA-N 229.732 2.989 0 40 BFAB CCCCOCCCNCc1ccc(C)o1 40731317 QXICXYAFLAIWRK-UHFFFAOYSA-N 225.332 2.884 0 40 BFAB OCCc1ccc(NCc2ccsc2)cc1 40737923 UGTDMDQFIWXUGQ-UHFFFAOYSA-N 233.336 2.895 0 40 BFAB Cc1cc(C)cc(C(=O)[C@H]2CC[C@@H](C(=O)O)C2)c1 43878994 ZJRUHBSZCZDRJH-NWDGAFQWSA-N 246.306 2.987 0 40 BFAB O=C(NCC1CC1)c1[nH]c2ccccc2c1Cl 48792772 MSWXCLFPFCWPDJ-UHFFFAOYSA-N 248.713 2.961 0 40 BFAB Cc1ccc(C(=O)Nc2cc(C(C)C)n[nH]2)o1 49044669 URVKSTUZRAMIQW-UHFFFAOYSA-N 233.271 2.687 0 40 BFAB Cc1cc(=S)[nH]cc1[C@@H]1CCCCN1C=O 72218352 JGHIHCDMDCMVTR-NSHDSACASA-N 236.340 2.736 0 40 BFAB C[C@@H](N)c1ccc(NCc2ccccc2)nc1 72225352 AHXOJMXWINYGPA-LLVKDONJSA-N 227.311 2.713 0 40 BFAB Fc1cccc(-c2nsnc2Cl)c1 72226412 CEGOEJDULUNEGX-UHFFFAOYSA-N 214.652 2.998 0 40 BFAB O=C(Nc1ncc(Cl)s1)c1cscn1 78993984 MKHJQCOOLFDBCV-UHFFFAOYSA-N 245.716 2.505 0 40 BFAB Cc1ccc(C(=O)Nc2ccc(F)c(F)c2)cn1 82339207 MYSSLYGRNKAMKP-UHFFFAOYSA-N 248.232 2.921 0 40 BFAB CSC[C@H](C)CNCc1cccc2cn[nH]c12 84024647 WXJMQLWLIJULFO-SNVBAGLBSA-N 249.383 2.652 0 40 BFAB COC(=O)c1cc(Cl)cnc1C(F)(F)F 85385176 RWULXAIOOWMXFR-UHFFFAOYSA-N 239.580 2.540 0 40 BFAB CNC(=O)[C@H]1C[C@H]1c1cccc2ccccc12 89385857 SMZXNEOIMHKSIC-KBPBESRZSA-N 225.291 2.689 0 40 BFAB COc1ccc2cc([C@@H](O)CC(C)=O)ccc2c1 90548361 HLOFWGGVFLUZMZ-HNNXBMFYSA-N 244.290 2.861 0 40 BFAB CCC(CC)CNCCc1c(C)noc1C 95433987 SGLTYJWSIBHMLP-UHFFFAOYSA-N 224.348 2.860 0 40 BFAB COc1cc([C@](C)(O)C(C)C)cc(F)c1F 95739283 OZUBLXWEIRDNMZ-GFCCVEGCSA-N 230.254 2.837 0 40 BFAB Fc1nc(F)c(Cl)c(Br)c1F 96102496 XRQBCXSMTBONCN-UHFFFAOYSA-N 246.413 2.915 0 40 BFAB Fc1cccc(CN[C@H]2CCCSC2)c1F 98018526 YOUVLCFJCVVLNP-JTQLQIEISA-N 243.322 2.950 0 40 BFAB CN(Cc1ccccc1)C(=O)[C@H]1C[C@H]2C=C[C@H]1C2 102265892 FWCLVNUNHDJRRS-KKUMJFAQSA-N 241.334 2.857 0 40 BFAB CCC(=O)NCCCc1ccccc1Cl 107188220 MCMHIVXEVXJLTH-UHFFFAOYSA-N 225.719 2.799 0 40 BFAB CCCn1c(C(=O)O)cc2ccsc21 118654710 AJVBRCANNFHCAC-UHFFFAOYSA-N 209.270 2.811 0 40 BFAB CC(C)OCCC[S@](=O)c1cccc(F)c1 195579611 LBLLTYGNWYNOEJ-INIZCTEOSA-N 244.331 2.748 0 40 BFAB CCc1cccc2c(NCCCN)cc(C)nc12 222685898 VIDADXCXDZCUNA-UHFFFAOYSA-N 243.354 2.866 0 40 BFAB CCOC(=O)CO[C@H]1CC(C)=Nc2ccccc21 227148497 QLZGXDWEQMNPGT-ZDUSSCGKSA-N 247.294 2.804 0 40 BFAB CCCN(c1ccc(F)cc1)[C@H](C)C(=O)O 260679596 SJJQBVZFVYFOHA-SECBINFHSA-N 225.263 2.515 0 40 BFAB O[C@@H]1CCc2cc(F)c(Br)cc21 585164283 NFEDJWNLFZRJDP-SECBINFHSA-N 231.064 2.568 0 40 BFAB CSc1nc(N2CCCC2)c2ccccc2n1 1394104 OAHTXDCXTGALRN-UHFFFAOYSA-N 245.351 2.952 0 40 BFAB N[C@H](Cc1ccccc1O)c1ccccc1 1668345 GULLNMADOBXKMH-CYBMUJFWSA-N 213.280 2.635 0 40 BFAB CCCC[C@@H](CC)[C@@H](O)CC(=O)OCCC 1696899 JRKICFRGZMKSPH-NEPJUHHUSA-N 230.348 2.907 0 40 BFAB CCC[C@@H](C)C(C)(C(=O)OCC)C(=O)OCC 1716765 WQZHVOLDWXWHOK-SNVBAGLBSA-N 244.331 2.555 0 40 BFAB C[n+]1ccc(Cl)c2ccc(Cl)cc21 1718227 UABDDBFZMXDXSE-UHFFFAOYSA-N 213.087 2.971 0 40 BFAB O=C1C(c2ccccc2)=[N+]([O-])c2ccccc21 1723988 WXFLHMJSSLDOPA-UHFFFAOYSA-N 223.231 2.514 0 40 BFAB CCCCC(CC)(C(=O)OCC)C(=O)OCC 1846018 OPFFBDXXUZAUAK-UHFFFAOYSA-N 244.331 2.699 0 40 BFAB in-vitro CCN[C@@H](CCCC1CCCCC1)C(=O)O 2042739 NXNYWXZKVCITLP-LBPRGKRZSA-N 227.348 2.800 0 40 BFAB O=C1O[C@@H](Nc2ccccc2)C(Cl)=C1Cl 5593472 SBWHAMQPYDVNIU-SECBINFHSA-N 244.077 2.671 0 40 BFAB Cc1c(C(=O)NC2CC2)oc2ccc(F)cc12 7952857 ITCGMAQVASNURE-UHFFFAOYSA-N 233.242 2.773 0 40 BFAB CCCc1n[nH]c(N)c1-c1ccc(OC)cc1 8701442 LPOUXINDOPHZGY-UHFFFAOYSA-N 231.299 2.620 0 40 BFAB CN(C(=O)COc1ccccc1)C1CCCCC1 10778413 NYCAEFGJTJCVAT-UHFFFAOYSA-N 247.338 2.857 0 40 BFAB S=c1[nH]ncc2c1[nH]c1ccccc12 12505810 CGHBJXQQZQJJTI-UHFFFAOYSA-N 201.254 2.774 0 40 BFAB O=C(C1CC1)N1CCC[C@H]2CCCC[C@@H]21 12953336 JEEWWSZOQQMYRG-PWSUYJOCSA-N 207.317 2.578 0 40 BFAB O=C(Cc1cccs1)NCc1ccsc1 13698101 MDAKYRKXSLLKOX-UHFFFAOYSA-N 237.349 2.669 0 40 BFAB CC(C)(C)c1nc2ccccc2n1CCC(=O)O 20223128 ZKYSBJGKIFUMMV-UHFFFAOYSA-N 246.310 2.809 0 40 BFAB in-vitro Cc1ccccc1CN(C)C(=O)[C@H]1C[C@@H]1C 33000269 OZIRTQZYWORYAY-AAEUAGOBSA-N 217.312 2.609 0 40 BFAB Cc1cc(Br)cc(S)c1N 34519241 ZXDVWOUYKJNWHD-UHFFFAOYSA-N 218.119 2.628 0 40 BFAB CC(=O)NCc1ccc(C(C)(C)C)cc1 34617258 DFENQURRLUFKQL-UHFFFAOYSA-N 205.301 2.620 0 40 BFAB CCO[C@H]1CCCN(C(=O)Nc2ccccc2)C1 36315793 BWIFVCROTHJOFM-ZDUSSCGKSA-N 248.326 2.719 0 40 BFAB C=CC(=O)N[C@@H](CCC)c1ccccc1 37007383 OEVWDPBMAQVSEX-LBPRGKRZSA-N 203.285 2.830 0 40 BFAB CC[C@@H]1CCCCN1c1ncccc1C(=O)O 37022193 ILXVQASGYIXMJJ-SNVBAGLBSA-N 234.299 2.549 0 40 BFAB CC[C@H](O)Cc1ccccc1Br 37465447 UFPXZMODXKUNDI-VIFPVBQESA-N 229.117 2.763 0 40 BFAB CNC(=O)[C@@H](C)Sc1ccc(C)cc1C 40464742 WFZXQARQBQCHKZ-SNVBAGLBSA-N 223.341 2.530 0 40 BFAB Cc1ccc(CNC(=O)C2CCCC2)s1 40541694 NHKINGFZAMKETP-UHFFFAOYSA-N 223.341 2.863 0 40 BFAB CCN1C(=O)c2ccccc2N[C@@H]1c1ccco1 42186113 SPZOCALBCXLSBX-ZDUSSCGKSA-N 242.278 2.866 0 40 BFAB CC(=O)Cc1c(F)ccc(Cl)c1F 43502033 SCJBGDYLKQCGIX-UHFFFAOYSA-N 204.603 2.750 0 40 BFAB Cc1ccsc1CNC(=O)CC(F)(F)F 44909752 GAGYLUNJJSRGKT-UHFFFAOYSA-N 237.246 2.625 0 40 BFAB CCN(Cc1ccc(Cl)s1)C(=O)NC 48644692 DCVABFHMNLDTKJ-UHFFFAOYSA-N 232.736 2.563 0 40 BFAB O=C(CCc1ccc(F)cc1)NC1CCCC1 60878979 JZRXTGUGMHRVPG-UHFFFAOYSA-N 235.302 2.817 0 40 BFAB CC(C)Oc1ccc([C@@H]2CCCCN2)cn1 72211911 UULIVSMUAQWGNX-LBPRGKRZSA-N 220.316 2.683 0 40 BFAB O=C1Cc2cc(Cl)cc(C(F)(F)F)c2N1 84193877 BKQLEGOEUNOOHB-UHFFFAOYSA-N 235.592 2.853 0 40 BFAB CCOC(=O)/C(Cl)=C/c1ccccc1F 85396904 GPPIKVUKNVFSRK-CLFYSBASSA-N 228.650 2.969 0 40 BFAB Cc1cnc(Nc2ccsc2)c(N)c1 85528522 BUKJSTFCLRZXNK-UHFFFAOYSA-N 205.286 2.777 0 40 BFAB CCCCCNC(=O)N1CC=C(C)CC1 89953450 YVKPRMXPYFIVJM-UHFFFAOYSA-N 210.321 2.538 0 40 BFAB O=c1ccc(-c2ccccn2)cn1-c1ccccc1 91293271 JHBMGQOABUXDND-UHFFFAOYSA-N 248.285 2.900 0 40 BFAB CO[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)O 147849375 PJMFSSBSAZXPTO-VIFPVBQESA-N 249.093 2.636 0 40 BFAB O[C@@H]1CCC[C@@H]1Nc1ccc2ccccc2n1 195575367 IQAYUXVPACNULT-QWHCGFSZSA-N 228.295 2.560 0 40 BFAB O=C(c1cccnc1)c1c[nH]c2ccc(F)cc12 199720968 BXYWABHPIMOKOT-UHFFFAOYSA-N 240.237 2.933 0 40 BFAB CCCn1cc(NCc2cccc(O)c2)c(C)n1 256050161 CYWHONQDLDPLCI-UHFFFAOYSA-N 245.326 2.919 0 40 BFAB N#Cc1c(F)cccc1C(=O)C1CCC1 389332137 MHJLOZHLBYEEFH-UHFFFAOYSA-N 203.216 2.680 0 40 BFAB O=C(Cc1ccsc1)N1CCC(F)(F)CC1 684521007 GXDRALHXXKZWFA-UHFFFAOYSA-N 245.294 2.548 0 40 BFAB O=C(O)[C@@H](CCc1ccccn1)c1ccccc1 1675486 SSRVHSJNWMCPCE-AWEZNQCLSA-N 241.290 2.883 0 40 BFAB in-vitro CCCOC(=O)C(CC)(CC)C(=O)OCCC 1707974 MTATYJIUUZBCLM-UHFFFAOYSA-N 244.331 2.699 0 40 BFAB Cc1ccc2c(c1)sc1nnc(Cl)n12 2024914 IWKUTESERKHQMS-UHFFFAOYSA-N 223.688 2.906 0 40 BFAB C=C(c1cccc2ccccc12)P(=O)(O)O 2323775 ZDNBHAWXBDXUSP-UHFFFAOYSA-N 234.191 2.988 0 40 BFAB O=C(O)c1cc(-c2cccc(F)c2)ccc1O 2525744 IGUSMAQARLWHHZ-UHFFFAOYSA-N 232.210 2.897 0 40 BFAB CCCCN(CC)C(=O)c1ccc2[nH]cnc2c1 12544453 RYVVJXRTDGCUAW-UHFFFAOYSA-N 245.326 2.825 0 40 BFAB CCCCC(=O)Nc1ccc(C(=O)O)cc1C 13391444 BHQXVGJOKFMFTE-UHFFFAOYSA-N 235.283 2.822 0 40 BFAB c1ccc([C@@H]2NCCN[C@H]2c2ccccc2)cc1 19366431 NXYCTQXWYWRZDE-HOTGVXAUSA-N 238.334 2.662 0 40 BFAB in-vitro O=C(O)Cc1coc(-c2ccc(Cl)cc2)n1 19723050 MCSIVMBXRSMJAI-UHFFFAOYSA-N 237.642 2.622 0 40 BFAB Cc1ccc(C(=O)c2ccncc2)c(C)c1 22121783 HEGPYTUHMAAVNI-UHFFFAOYSA-N 211.264 2.929 0 40 BFAB Cc1oc(C)c(C(=O)NCc2cccnc2)c1C 25706103 YWBGYOVPCIBFGM-UHFFFAOYSA-N 244.294 2.530 0 40 BFAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NC(C)C 38752796 GZAWYYCGEBUUDV-AWEZNQCLSA-N 249.354 2.985 0 40 BFAB CCCCNC(=O)Nc1ccccc1N(C)C 40526926 TVKJXINZRDBJOK-UHFFFAOYSA-N 235.331 2.674 0 40 BFAB O=C(c1ccc(F)cc1)[C@H]1CC[C@@H](C(=O)O)C1 43878976 HMFMKSSMIQQTAZ-VHSXEESVSA-N 236.242 2.509 0 40 BFAB O=C(O)c1cccc(NCC2CCCCC2)n1 47476135 TXXMEVVVCMGTER-UHFFFAOYSA-N 234.299 2.772 0 40 BFAB Brc1ccc([C@H]2CCCNC2)cc1 49830019 SZTZMTODFHPUHI-JTQLQIEISA-N 240.144 2.916 0 40 BFAB in-vitro O=C(Nc1ccccc1)NC(C1CC1)C1CC1 57517202 PESBBJFFVMTUSR-UHFFFAOYSA-N 230.311 2.997 0 40 BFAB CCCN(C)C(=O)N[C@@H]1C[C@H]1c1ccccc1 63789399 RWBDAHYHTPULSN-QWHCGFSZSA-N 232.327 2.594 0 40 BFAB Cc1cc(F)cc2c(O[C@H](C)C(=O)O)ccnc12 64874790 SMHZMLZOWNOJAS-MRVPVSSYSA-N 249.241 2.534 0 40 BFAB Cc1cnn([C@@H](C)[C@H](C)NCc2ccc(C)o2)c1 69458457 HODTVNSSNNEETQ-STQMWFEESA-N 247.342 2.832 0 40 BFAB Cc1cc(NC(=O)CCc2cccs2)on1 69484013 WSMGKWVPKBYCPD-UHFFFAOYSA-N 236.296 2.616 0 40 BFAB Cc1cc(C)c(NC(=O)C(C)(C)C)c(N)c1 70462805 XKVGBYAOWLJMDB-UHFFFAOYSA-N 220.316 2.870 0 40 BFAB CCOc1cnc(Br)c(OCC)c1 71404309 JKWPISSEPKRUER-UHFFFAOYSA-N 246.104 2.642 0 40 BFAB CCCCNC[C@@H]1CCCN2CCCC[C@H]12 72323939 UQHMEAZLQPVXPC-UONOGXRCSA-N 224.392 2.641 0 40 BFAB biogenic COC(=O)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 73194807 JOLVEJGFWHTTJU-ZJUUUORDSA-N 244.212 2.982 0 40 BFAB O=C(O)c1occc1-c1ccc(F)cc1 75386185 AAKFSKGDIRKILO-UHFFFAOYSA-N 206.172 2.784 0 40 BFAB in-vitro CCN(C)Cc1cc(=O)oc2cc(C)c(C)cc12 77242038 WJUMODZWBCLLDL-UHFFFAOYSA-N 245.322 2.862 0 40 BFAB Cc1csc(NC(=O)CCC(F)(F)F)n1 79632444 JFDWKXXAMXWABS-UHFFFAOYSA-N 238.234 2.733 0 40 BFAB COc1c(Br)cc(C)cc1C=O 83229802 CDYURHDIJQGOMM-UHFFFAOYSA-N 229.073 2.579 0 40 BFAB in-vitro NC1(Cc2ccncc2)CCC(F)(F)CC1 83351138 ZYXUEVUTZMAVLB-UHFFFAOYSA-N 226.270 2.531 0 40 BFAB Cc1ccccc1CN[C@H]1CCCOCC1 83425412 AKJJAOXRKGHHBV-AWEZNQCLSA-N 219.328 2.654 0 40 BFAB Fc1ccccc1CN[C@H]1CCCc2c[nH]nc21 95967406 DTIUGVKKTSVUKO-ZDUSSCGKSA-N 245.301 2.716 0 40 BFAB CSC[C@H](C)NC(=O)N1CCC[C@H](C)[C@H]1C 97010493 SFFGAUOYWMKFIS-GARJFASQSA-N 244.404 2.568 0 40 BFAB CCOC(=O)[C@H]1[C@@H]2C[C@@H]3C[C@H](C3(C)C)[C@@]21C 104051768 GYYMNRWFIHTKHO-AYDOGRCQSA-N 222.328 2.868 0 40 BFAB O=C(O)CC[C@@H]1CC[C@@H](c2ccccc2)O1 200077352 OZFJUORCJOEQJR-RYUDHWBXSA-N 220.268 2.772 0 40 BFAB Cc1ccc(-c2noc(-c3cnco3)n2)cc1 216617392 XCAIXHVENOVWSX-UHFFFAOYSA-N 227.223 2.700 0 40 BFAB O=C(NC1CCCCCCC1)c1cnco1 224062702 WALQZVVNAGMIJQ-UHFFFAOYSA-N 222.288 2.517 0 40 BFAB Nc1ccccc1CN1CCOc2ccccc21 242581748 OEINDPJBXZPELT-UHFFFAOYSA-N 240.306 2.668 0 40 BFAB COc1ccccc1NC(=O)CCC(F)(F)F 266213986 GSTBHIDRIBCDBS-UHFFFAOYSA-N 247.216 2.976 0 40 BFAB CCOC(=O)c1ncc(-c2cccs2)o1 390826781 BXGQNSVANNMRHS-UHFFFAOYSA-N 223.253 2.580 0 40 BFAB CCc1ccc(C(=O)C(C)(C)OC(C)=O)cc1 575357268 BCYGMRFTCIPAQG-UHFFFAOYSA-N 234.295 2.773 0 40 BFAB CC(C)c1ccccc1CN1CC[C@@]2(O)C[C@H]2C1 827293216 XDKVGWIRXKCUGI-GOEBONIOSA-N 245.366 2.767 0 40 BFAB CC(=O)Cc1ccccc1OC(=O)c1ccco1 364668 MYKTWAHVSFVJHV-UHFFFAOYSA-N 244.246 2.630 0 40 BFAB O=C1[C@H]2CCC[C@@H]1[C@H](N1CCCCC1)CC2 586437 RVZATTSXQJHIRB-YNEHKIRRSA-N 221.344 2.620 0 40 BFAB NC(=S)NNc1ccccc1-c1ccccc1 1392581 DCGWTYBCLPRZOE-UHFFFAOYSA-N 243.335 2.514 0 40 BFAB CC(C)(C)c1csc(N2CCSCC2)n1 1405950 PFDNTZDPZOFOPF-UHFFFAOYSA-N 242.413 2.994 0 40 BFAB CCCCN1C(=O)c2ccc(Cl)cc2C1=O 1679874 OVZMDALKVWTJIF-UHFFFAOYSA-N 237.686 2.736 0 40 BFAB CC1(C)C[C@](C)(O)P(c2ccccc2)O1 3201296 NCCPRLWZBKOENA-KEKZHRQWSA-N 224.240 2.616 0 40 BFAB O=C(Nc1ccc(-n2cccc2)cc1)C1CC1 4049827 IUTROBYDNUECPG-UHFFFAOYSA-N 226.279 2.826 0 40 BFAB CCOC(=O)NCc1ccc2c(c1)cc(C)n2C 4056884 DANDKXHCQIMLQD-UHFFFAOYSA-N 246.310 2.733 0 40 BFAB Cc1nc(-c2ccc(CCN)s2)cs1 4219173 JNFOQNCFXSGQAK-UHFFFAOYSA-N 224.354 2.681 0 40 BFAB in-vitro Cc1ccc(COC(=O)c2ccco2)cc1 4649427 AOTGZSPASOJGMH-UHFFFAOYSA-N 216.236 2.945 0 40 BFAB O=[S@](Nc1ccccc1)c1cccs1 6475632 MPDYGTPTVUMAGZ-CQSZACIVSA-N 223.322 2.883 0 40 BFAB Cn1ccnc1SCCOc1ccccc1 9146378 SZSHKOYMLVVNKI-UHFFFAOYSA-N 234.324 2.591 0 40 BFAB S=C(Nc1cccc(Cl)c1)NC1CC1 13786865 PKEQUFGWNMNVGB-UHFFFAOYSA-N 226.732 2.789 0 40 BFAB CC1=N[C@@H]2C(C)=NN(c3ccccc3)[C@@H]2N=C1C 16607948 MGCQYCXHUMKMKJ-KGLIPLIRSA-N 240.310 2.513 0 40 BFAB Nc1ccc(C(=O)c2ccccc2F)cc1 19779793 FRGXRXKVVAHXBO-UHFFFAOYSA-N 215.227 2.639 0 40 BFAB CC[C@H](CO)NCc1ccccc1C(F)(F)F 20194412 BYBKPQGTHLQYND-SNVBAGLBSA-N 247.260 2.566 0 40 BFAB COC(=O)c1cc(-c2ccccc2)nc(Cl)n1 32104149 FDXAJRMNGMLVLJ-UHFFFAOYSA-N 248.669 2.584 0 40 BFAB O=C(O)C1(c2ccc3c(c2)OCO3)CCCCC1 34940514 XWEGPKFJPHBDIF-UHFFFAOYSA-N 248.278 2.702 0 40 BFAB C=CC(=O)N[C@H](CCC)c1ccccc1 37007384 OEVWDPBMAQVSEX-GFCCVEGCSA-N 203.285 2.830 0 40 BFAB CCC[C@H](C)CNc1cccnc1OC 37070289 DGTYRGLLGZOVFM-JTQLQIEISA-N 208.305 2.938 0 40 BFAB CCCCOC(=O)[C@@H](C)Oc1ccc(O)cc1 39340815 MPNXVFDGEQKYAY-SNVBAGLBSA-N 238.283 2.503 0 40 BFAB C[C@H](C1CC1)N(C)C(=O)c1ccsc1 40490154 HQSNEWDSCPVXCA-MRVPVSSYSA-N 209.314 2.619 0 40 BFAB C[C@H](Cc1ccco1)NC(=O)Oc1ccccc1 44443808 IOMOYRADBPKFHG-LLVKDONJSA-N 245.278 2.999 0 40 BFAB Cc1ccc(CNC(=O)Nc2ccccn2)s1 45700015 PUYZSYRLBZGGEO-UHFFFAOYSA-N 247.323 2.773 0 40 BFAB Cc1cnc(-c2cccc(C(=O)O)c2)s1 54158988 ZVMVNRWWXZEPMS-UHFFFAOYSA-N 219.265 2.817 0 40 BFAB in-vitro CC(C)=CC(=O)N(Cc1ccccn1)C(C)C 55738753 BLGZRUAAFYWITI-UHFFFAOYSA-N 232.327 2.785 0 40 BFAB COc1ccc(OC/C=C/CN2CCCC2)cc1 58158992 GMHLYDYXJGJSIT-SNAWJCMRSA-N 247.338 2.726 0 40 BFAB Cc1ccc(C)n1NC(=O)Nc1ccccc1 59549625 XCDMARMFTJTPFG-UHFFFAOYSA-N 229.283 2.881 0 40 BFAB CC(=O)NCCOc1ccc(Cl)cc1Cl 60264540 NTACMCRGKJGDSQ-UHFFFAOYSA-N 248.109 2.508 0 40 BFAB CCn1c(SCCCO)nc2ccccc21 61308143 RYUKLEHTJHCHMT-UHFFFAOYSA-N 236.340 2.531 0 40 BFAB OC(=C\C1=NCCN1)/C=C/c1ccc(Cl)cc1 62716129 CUWOTSRPNOGIPY-MCONIOEYSA-N 248.713 2.797 0 40 BFAB COc1csc2c(OC)csc12 71186828 VXHZSUIGKCSMHX-UHFFFAOYSA-N 200.284 2.980 0 40 BFAB CCCN1CCC[C@@H]1c1cnc(OC)c(C)c1 72217722 DUHWBEWYIXQRNT-CYBMUJFWSA-N 234.343 2.946 0 40 BFAB CCCC(=O)N1CCCC[C@@H]1c1nccc(C)n1 72361195 GYICCCVICZBXNL-GFCCVEGCSA-N 247.342 2.639 0 40 BFAB c1csc(CNC[C@H]2CCCn3ccnc32)c1 84442232 UDZAAECNXZCCLD-LLVKDONJSA-N 247.367 2.612 0 40 BFAB Cc1c(COC(C)C)cccc1NCCCO 95412016 SBTWMAHKERYEOI-UHFFFAOYSA-N 237.343 2.714 0 40 BFAB C[C@H](C1CC1)N(C(=O)c1ccncc1F)C1CC1 96420474 JSHQMARPCQMMCQ-SECBINFHSA-N 248.301 2.624 0 40 BFAB Cc1nc(CN[C@H]2CCCC[C@@H]2C(C)C)no1 97163498 ZNJPFFKEJCLXRX-NEPJUHHUSA-N 237.347 2.682 0 40 BFAB CCCn1cc(NCc2ccccc2OC)cn1 153234560 CHANHAWBAZGQJK-UHFFFAOYSA-N 245.326 2.914 0 40 BFAB Cn1c(N2C[C@H]3CCC[C@@H]3C2)nc2ccccc21 179315393 ITAAVKYYZYPENP-VXGBXAGGSA-N 241.338 2.810 0 40 BFAB Nc1ccc2c(c1Br)CCC2 199786228 IXKXAFPEOCHSQH-UHFFFAOYSA-N 212.090 2.520 0 40 BFAB CCCc1ccc(CNC(C)C)n1CC 226020857 RITGHKHNWOJCTE-UHFFFAOYSA-N 208.349 2.959 0 40 BFAB CC(C)(C)OC(=O)N1CC[C@@H]2C=CC[C@@H]21 953091150 YBZNAAJETWOGIC-UWVGGRQHSA-N 209.289 2.572 0 40 BFAB N[C@H]1CCCC[C]1OCc1ccccc1 1560407579 DMJLNQLIPWOYRW-LBPRGKRZSA-N 204.293 2.636 0 40 BFAB c1nc(N2CCCC2)c2c3c(sc2n1)CCC3 127389 AUAXUHOFWCIIGI-UHFFFAOYSA-N 245.351 2.780 0 40 BFAB C[C@H]1CCO[C@](C)(Cc2ccccc2)O1 1566545 TXFAVUPKTNYIEY-AAEUAGOBSA-N 206.285 2.771 0 40 BFAB O=C(N[C@@H]1CCCCCC[C@@H]1O)c1ccccc1 1709151 DPAWCOZGSAXDJO-KGLIPLIRSA-N 247.338 2.500 0 40 BFAB Nc1ccccc1C(=O)c1ccccc1F 1995291 NRAJMXHXQHCBHO-UHFFFAOYSA-N 215.227 2.639 0 40 BFAB in-vitro CC(=O)CC(=O)CCc1ccccc1Cl 4880017 AQBNBRUCMDVKPI-UHFFFAOYSA-N 224.687 2.821 0 40 BFAB COc1cccc2[nH]c3c(Cl)ncnc3c12 5911507 AZGSGDAPZUDANU-UHFFFAOYSA-N 233.658 2.773 0 40 BFAB CCN(CC)C(=O)/C=C/c1ccccc1OC 6636617 KPZOLYMDGUOCOZ-ZHACJKMWSA-N 233.311 2.577 0 40 BFAB Cc1ccc2cc(CNC(C)C)c(O)nc2c1 8580094 QSDIWKWNRRZOBI-UHFFFAOYSA-N 230.311 2.747 0 40 BFAB Cc1n[nH]c(C)c1NC(=O)c1ccc(Cl)cc1 11565709 MHBYHGKGNSGUIY-UHFFFAOYSA-N 249.701 2.932 0 40 BFAB CC/C(=C\C(=O)O)c1ccc(OC)cc1 11628527 PNGLWXCBVRIOPB-CMDGGOBGSA-N 206.241 2.573 0 40 BFAB in-vitro CCNC(=S)NC1CCCCCCC1 13818586 XHAFKYMAKNYJLP-UHFFFAOYSA-N 214.378 2.583 0 40 BFAB Clc1cccc(OC[C@@H]2CCCNC2)c1 14631197 VQCKBCXQGGVKPY-SNVBAGLBSA-N 225.719 2.718 0 40 BFAB in-vitro CNC(=S)Nc1nc2ccc(C)cc2s1 16348722 VATLEAJNSCJXMH-UHFFFAOYSA-N 237.353 2.521 0 40 BFAB COc1ccc([C@H](C)NC(=O)[C@H]2C[C@@H]2C)cc1 16971615 COSNGNOZECLPTG-KWBADKCTSA-N 233.311 2.528 0 40 BFAB CCCn1c(CCCN)nc2cc(C)c(C)cc21 19750690 KHBXCMXCGUXIDP-UHFFFAOYSA-N 245.370 2.954 0 40 BFAB COCCN[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 19881207 BIWZRCPLGYEICT-YNEHKIRRSA-N 213.365 2.683 0 40 BFAB Cc1cc(N)c(NC(=O)CC(C)C)cc1C 20157525 MELMRNPRIRRBHN-UHFFFAOYSA-N 220.316 2.870 0 40 BFAB COc1ccc(-c2cccnc2)cc1C=O 20440254 HMZWDPWMRPUPLY-UHFFFAOYSA-N 213.236 2.570 0 40 BFAB NCc1c(-n2cccc2)sc2c1CCCC2 21950250 JXLIWKRDHKEVLF-UHFFFAOYSA-N 232.352 2.876 0 40 BFAB Cc1nc2c(O)nnc(-c3cccs3)c2s1 26421208 PAEYUXIRLLZFOW-UHFFFAOYSA-N 249.320 2.829 0 40 BFAB COc1ccc2oc(CSC(=N)N)cc2c1 26422724 MIAUYWVVPQGNGI-UHFFFAOYSA-N 236.296 2.568 0 40 BFAB O=C(c1cc(F)cc(F)c1)N1CCCCC1 28210526 CSOVYBNQUDZPBA-UHFFFAOYSA-N 225.238 2.591 0 40 BFAB C/C=C/CCc1cc(O)c2c(c1)O[C@H](C)[C@@H]2CO 31167705 ZBSDHRYEWAUMGA-YGEYTSGZSA-N 248.322 2.758 0 40 BFAB biogenic,in-vitro C[C@@H]1c2ccsc2CCN1C(=O)C1CC1 32781421 PFDOIQIRVHGUAZ-MRVPVSSYSA-N 221.325 2.604 0 40 BFAB Cc1[nH]c(-c2ccc(Cl)cc2)nc1C(=O)O 35320730 QQRYIMPKNCKCLP-UHFFFAOYSA-N 236.658 2.737 0 40 BFAB c1ccc2c(c1)CCC[C@@H]2Nc1cn[nH]c1 35763705 JSRBXUQRLZWRKC-ZDUSSCGKSA-N 213.284 2.899 0 40 BFAB O=C(N[C@@H]1CCOc2ccccc21)c1ccoc1 36394049 WPUHDWDFVPVULQ-GFCCVEGCSA-N 243.262 2.533 0 40 BFAB N[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 37381578 IJUBEDIWPVVNLP-IUCAKERBSA-N 201.191 2.520 0 40 BFAB COc1ccc([C@@H](O)C(=O)c2ccccc2)cc1 39238949 IAAJKEZGSMXKAL-OAHLLOKOSA-N 242.274 2.612 0 40 BFAB CCC(=O)N1CCc2ccc(N3CCCC3)cc21 41120918 QXTMPKRDBGRMSJ-UHFFFAOYSA-N 244.338 2.586 0 40 BFAB CS[C@@H](C)C(=O)N(C)Cc1cccc(F)c1 42823573 FMXCBIDTHKJQRL-VIFPVBQESA-N 241.331 2.536 0 40 BFAB Cc1cccc(-c2cnc(C=O)s2)c1 45206033 PTFGPJGCHPKSGN-UHFFFAOYSA-N 203.266 2.931 0 40 BFAB C[C@H](NC(=O)C1CC1)c1ccc2c(c1)CCC2 53387425 NILFEDXQOXZYBS-JTQLQIEISA-N 229.323 2.763 0 40 BFAB COC(=O)C[C@H](N)c1ccc(Cl)cc1Cl 57270756 GRGBTOZDPJFRCV-VIFPVBQESA-N 248.109 2.556 0 40 BFAB N[C@@H](CC1CCOCC1)c1ccccc1F 62774654 XQUMBDXRZFXLJD-ZDUSSCGKSA-N 223.291 2.642 0 40 BFAB CCN1CCC[C@@H]1c1cccc(OC)c1 65575460 NVKKYTLMNCEFSE-CYBMUJFWSA-N 205.301 2.852 0 40 BFAB CCNC(=O)[C@H](OC1CCCC1)c1ccccc1 69371846 ZZSBSWVJZZPPQC-CQSZACIVSA-N 247.338 2.823 0 40 BFAB CN(C)C(=O)[C@H](OC1CCCC1)c1ccccc1 69417381 HBPJDEQXMGOHPU-CQSZACIVSA-N 247.338 2.775 0 40 BFAB CC(C)N1CCC[C@H](c2nccnc2Cl)C1 72343849 ZWNWELPGKZGGCE-JTQLQIEISA-N 239.750 2.718 0 40 BFAB CCS[C@H]1CCC[C@@H]1Nc1ncccn1 78996783 VPRBOEVQQSNSGI-UWVGGRQHSA-N 223.345 2.563 0 40 BFAB C[C@@H]1CCCCC[C@H]1Nc1ncccn1 83949617 ULKLEJFHKDMDOU-GHMZBOCLSA-N 205.305 2.857 0 40 BFAB Cc1cc(C(=O)C[C@@H](C)CC(=O)O)ccc1F 85652156 JTZWWZFHWWKNII-MRVPVSSYSA-N 238.258 2.818 0 40 BFAB Clc1cnc(N2C[C@@H]3CCCC[C@H]3C2)nc1 95408686 SQPOLSYZJNUSOR-UWVGGRQHSA-N 237.734 2.756 0 40 BFAB Sc1ccccc1COC[C@@H]1CCCO1 95738793 RLVDLPOZQVXEGG-NSHDSACASA-N 224.325 2.671 0 40 BFAB CC(C)N(C(=O)[C@H]1C[C@@H]1c1cccnc1)C1CC1 95957234 GBCHQCSAPQYIKD-KGLIPLIRSA-N 244.338 2.585 0 40 BFAB CCCOCC1(c2ccc(N)cc2)CC1 96515630 SHNZPECIQZUDHA-UHFFFAOYSA-N 205.301 2.727 0 40 BFAB COC(=O)[C@H](C)SCCc1cccs1 97102257 JNEKPRZLMBKGIE-QMMMGPOBSA-N 230.354 2.585 0 40 BFAB CC(=O)c1c(F)ccc(C(F)(F)F)c1O 97439010 FIFBXXJYSNPPGU-UHFFFAOYSA-N 222.137 2.753 0 40 BFAB Cc1cc(NC(=O)Cc2ccccc2C)sn1 98016403 WWUSFLRBKWYFOA-UHFFFAOYSA-N 246.335 2.941 0 40 BFAB CC(=O)OCCC1=CC[C@@H]2C[C@@H]1C2(C)C 100794901 AWNOGHRWORTNEI-NEPJUHHUSA-N 208.301 2.932 0 40 BFAB CCCC(=O)N[C@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 102180527 ZXTNXYYKULGWJB-KKOKHZNYSA-N 209.333 2.727 0 40 BFAB O=C(O)C(F)(F)c1cc2ccccc2o1 131826543 KUZPURXGGUMXOY-UHFFFAOYSA-N 212.151 2.609 0 40 BFAB CCOC(=O)CO[C@@H]1CC(C)=Nc2ccccc21 227148489 QLZGXDWEQMNPGT-CYBMUJFWSA-N 247.294 2.804 0 40 BFAB Clc1ccccc1CNC[C@@H]1CCCO1 286311 GPISPWNZVORYKU-NSHDSACASA-N 225.719 2.609 0 40 BFAB in-vitro Cc1cc2[nH]ncc2cc1NC(=O)c1ccco1 1395180 HAZVTDKCCKAZFD-UHFFFAOYSA-N 241.250 2.717 0 40 BFAB On1c(-c2ccccc2Cl)nc2ncccc21 1400227 OYLVZQNOFLITIJ-UHFFFAOYSA-N 245.669 2.989 0 40 BFAB Cc1cc(C)n(C(=O)/C=C/c2cccs2)n1 4278837 YGSZJSHBDOIFSS-AATRIKPKSA-N 232.308 2.915 0 40 BFAB Cc1cc(-c2nc(NN)sc2C)ccc1F 4293978 ARTXXJHNWQSNMZ-UHFFFAOYSA-N 237.303 2.852 0 40 BFAB Cc1nnc(CSc2nc3ccccc3o2)o1 4512878 OMCVCIRSGAGTHC-UHFFFAOYSA-N 247.279 2.812 0 40 BFAB COc1cc(C)c(NC(=O)[C@@H]2C[C@@H]2C)cc1OC 5616886 CAUMHHMSEMESFJ-WCBMZHEXSA-N 249.310 2.607 0 40 BFAB O=C1[C@@H](c2ccccc2)CN1Cc1ccccc1 5699137 XXHDJPDSFUWTPZ-OAHLLOKOSA-N 237.302 2.813 0 40 BFAB C[C@@H](Nc1ccc(Cl)c(Cl)c1)C(=O)O 6032508 SUWRMAZHFSUJCB-RXMQYKEDSA-N 234.082 2.878 0 40 BFAB Cc1ccc(CNC(=O)c2ccoc2C)cc1 6275017 OEEJLOVOUIMEJV-UHFFFAOYSA-N 229.279 2.826 0 40 BFAB CCC[C@H](C)NC(=O)[C@H](OC)c1ccccc1 6946889 LFMCEOXMCOUKHF-WCQYABFASA-N 235.327 2.679 0 40 BFAB COCc1cccc(C(=O)Nc2nccs2)c1 7667067 FQJLANJNHGVVAK-UHFFFAOYSA-N 248.307 2.542 0 40 BFAB Cc1cc(F)ccc1NC(=O)[C@@H]1C[C@@H]1C 7751070 SWODGBCPTQQURE-OIBJUYFYSA-N 207.248 2.729 0 40 BFAB CC(C)CNC(=S)Nc1ccc(F)cc1F 13787443 ZWEMMUOEGJWHFD-UHFFFAOYSA-N 244.310 2.907 0 40 BFAB CC(C)c1cccc(O[C@@H]2CCCNC2)c1 14631699 BHBWHZTTYBNONX-CQSZACIVSA-N 219.328 2.941 0 40 BFAB COc1cccc(OCC[C@H]2CCCCN2)c1 14632328 SDIKBKRUKSBVHG-GFCCVEGCSA-N 235.327 2.606 0 40 BFAB Cc1ccccc1CNC[C@@H](O)c1ccccc1 16362691 YJRZKXAPWQZNKW-MRXNPFEDSA-N 241.334 2.818 0 40 BFAB CCCC1CCC(N[C@@H](CC)CO)CC1 20195943 QBHGHQSISBEZAF-CPCZMJQVSA-N 213.365 2.706 0 40 BFAB O=C(O)CCNc1cccc(Cl)c1Cl 20376771 JFZRGDROPFALNV-UHFFFAOYSA-N 234.082 2.880 0 40 BFAB CCn1ccc(NC(=O)c2sccc2C)n1 27929894 IIEVBYADOZCYCQ-UHFFFAOYSA-N 235.312 2.525 0 40 BFAB Cc1cccc(O[C@@H](C)C(=O)NCC(C)C)c1C 30854732 PGLPBORIVJDICI-ZDUSSCGKSA-N 249.354 2.843 0 40 BFAB CCCn1nc(C)cc1NC(=O)c1cccs1 32647626 ZKEMJTUULKYHRB-UHFFFAOYSA-N 249.339 2.915 0 40 BFAB C[C@@H](Cc1cccs1)NC(=O)c1ccoc1 33205463 MHMCVDBZPXFYLL-VIFPVBQESA-N 235.308 2.702 0 40 BFAB CC[C@@H](C)C(=O)NCc1nc2ccccc2s1 36656977 LNRWHXUBLJPBMC-SECBINFHSA-N 248.351 2.959 0 40 BFAB CC(C)Cc1n[nH]c(N)c1-c1ccccc1 36935460 AWHCIJRFCJFPOY-UHFFFAOYSA-N 215.300 2.857 0 40 BFAB O=C(O)C[C@H]1CCCCN1Cc1ccccc1 38027556 SHEKRTHWDKJFTP-CYBMUJFWSA-N 233.311 2.516 0 40 BFAB Cc1c(Cl)cccc1NC1CCNCC1 38040509 UQKOYTJUHSCLKT-UHFFFAOYSA-N 224.735 2.812 0 40 BFAB Clc1nc(-c2ccccn2)nc2c1CCC2 42400227 YLKHHGBJFMFKEQ-UHFFFAOYSA-N 231.686 2.681 0 40 BFAB in-vitro COC(=O)c1ccc(OC)c2ccccc12 44199479 KVYMSRWVZFWKLT-UHFFFAOYSA-N 216.236 2.635 0 40 BFAB in-vitro CC(=O)[C@@H]1C[C@@H](c2cccc(Cl)c2)OC1=O 57529502 FARKQLIPCMMMSL-QWRGUYRKSA-N 238.670 2.533 0 40 BFAB Cc1nc(CSc2ccc(F)cc2)no1 57691234 YMJGRPWFRJAYLZ-UHFFFAOYSA-N 224.260 2.809 0 40 BFAB CCSc1nc(Cc2ccccc2)n[nH]1 60296325 IIAYLCDXXYQWKF-UHFFFAOYSA-N 219.313 2.508 0 40 BFAB Fc1cccc(CSc2nncs2)c1 60385592 UNKJTZKMZFYKKL-UHFFFAOYSA-N 226.301 2.970 0 40 BFAB Cc1ccccc1N(C(=O)[C@H]1CCCO1)C(C)C 71858645 NJVRWPWFOIMKGT-CQSZACIVSA-N 247.338 2.915 0 40 BFAB CC[C@H](C)Nc1ccc([C@H]2CCCN2C=O)cn1 72213482 ITKSNQDZRJLYPI-WCQYABFASA-N 247.342 2.585 0 40 BFAB Cc1cc(C)nc([C@H]2CCCN(CC3CC3)C2)n1 72361368 JFJHLZUCMIEQFS-AWEZNQCLSA-N 245.370 2.683 0 40 BFAB N[C@H]1CCCc2c1[nH]c1ccc(F)cc21 74205424 JNAQAPNLBDHNMO-JTQLQIEISA-N 204.248 2.643 0 40 BFAB in-vitro O[C@@H]1CCc2cc(Cl)c(Cl)cc21 81991215 BVMSVJNZBKHOLJ-SECBINFHSA-N 203.068 2.973 0 40 BFAB O=C(Nc1ccc(Cl)cc1)c1cnco1 82324575 HZBYIZSMHNTTNG-UHFFFAOYSA-N 222.631 2.580 0 40 BFAB Cc1ccc(-c2csc3nc[nH]c(=O)c23)o1 84847156 PMVYUYYRYHAMLD-UHFFFAOYSA-N 232.264 2.553 0 40 BFAB in-vitro CC(C)C(=O)c1ccc(O)c(F)c1F 88120943 NGZLPKCHAGMNDP-UHFFFAOYSA-N 200.184 2.509 0 40 BFAB O=C(C1CCCC1)N1CCOc2cc(F)ccc21 89807218 AXOYRJYKQZIGBP-UHFFFAOYSA-N 249.285 2.741 0 40 BFAB CCOc1cc(C(C)=O)cc(F)c1F 95731847 WXMMABQELWVRAC-UHFFFAOYSA-N 200.184 2.566 0 40 BFAB CCN(C(=O)N(C)Cc1ccccc1N)C(C)C 97094602 LJPZWESOOXBMLS-UHFFFAOYSA-N 249.358 2.551 0 40 BFAB Cc1ccc(C)c(OCCNC(=O)C(C)(C)C)c1 224044998 JDXMHULTRLHJOR-UHFFFAOYSA-N 249.354 2.845 0 40 BFAB COC(=O)c1ccc(Cc2ccc(C)cc2)n1C 226029197 AKSDZQBLHCEDCC-UHFFFAOYSA-N 243.306 2.711 0 40 BFAB CCOC(=O)c1cc2c([nH]1)CC(C)(C)CC2 1857791502 QEGBWLJQLOCFHB-UHFFFAOYSA-N 221.300 2.706 0 40 BFAB CCOC(=O)[C@@H]1C[C@H]1c1cc(C)cc(C)c1 1857793805 YRGPNLQAZXNRIN-QWHCGFSZSA-N 218.296 2.970 0 40 BFAB Oc1ccc2c(c1)ncn2-c1ccccc1 17525 OQAPWZCMAFFBBL-UHFFFAOYSA-N 210.236 2.731 0 40 BFAB in-vivo CN(C)C/C=C(/Br)c1ccccc1 162291 LDJJCNFLMAYZKB-DHZHZOJOSA-N 240.144 2.984 0 40 BFAB c1ccc2c(c1)c1c3n2CCN[C@H]3CCC1 170645 FPJQYYCGLQSBMU-LBPRGKRZSA-N 212.296 2.622 0 40 BFAB Nc1nc(-c2ccco2)cc(-c2ccco2)n1 1635253 JBAJMLMKIIDEJX-UHFFFAOYSA-N 227.223 2.579 0 40 BFAB CCCCO[C@@H](C)CC(C)(C)OC(C)=O 2250629 ZUPWEEIULYBCPZ-JTQLQIEISA-N 216.321 2.923 0 40 BFAB Cc1cccc(C(=O)O[C@H]2CCCN(C)C2)c1C 3299255 WUNXIZUIFKPRNW-ZDUSSCGKSA-N 247.338 2.554 0 40 BFAB Nc1cc(-c2ccc(Cl)s2)no1 3715905 GEMHTXKUGCNPMG-UHFFFAOYSA-N 200.650 2.639 0 40 BFAB Cc1nc(COc2cccc(C(=O)O)c2)cs1 4219147 AKSSOQQGEAWRTP-UHFFFAOYSA-N 249.291 2.729 0 40 BFAB CCCCCSc1ncnc2nc[nH]c12 4658292 UDXMVJZRHSMPEJ-UHFFFAOYSA-N 222.317 2.635 0 40 BFAB in-vitro CCOc1ccc(-c2csnn2)cc1 5673658 GSYGZZYZODVGOJ-UHFFFAOYSA-N 206.270 2.604 0 40 BFAB Cc1nc2ccccc2nc1NC[C@@H]1CCCO1 5697239 CCQYSNYQEQYYKJ-NSHDSACASA-N 243.310 2.529 0 40 BFAB CCCCNC(=O)CCc1ccc(OC)cc1 6042648 UQRYLOIXSFGSPQ-UHFFFAOYSA-N 235.327 2.544 0 40 BFAB COc1cccc(C[C@@H](N)c2ccccc2)c1 11603353 XOYULUHRZSJAEF-OAHLLOKOSA-N 227.307 2.938 0 40 BFAB in-vitro NC[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 11888367 VTEAVAKPDJFANZ-GFCCVEGCSA-N 238.762 2.511 0 40 BFAB Cc1cc(=O)oc2cc(Br)ccc12 12062830 VRLDNEKULNVMFD-UHFFFAOYSA-N 239.068 2.864 0 40 BFAB NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 12736561 HLLGJXAKKIPKMP-RFZPGFLSSA-N 235.171 2.855 0 40 BFAB CCc1sc(C(=O)NC2CC2)cc1C 12976142 XUHFKWLHAWHXNQ-UHFFFAOYSA-N 209.314 2.511 0 40 BFAB O=C1CCN(Cc2c(F)cccc2Cl)CC1 19688258 ZXSQLODBMKKLKU-UHFFFAOYSA-N 241.693 2.644 0 40 BFAB in-vitro CN(C)CCNc1cccc(C(F)(F)F)c1 20042332 AICRIRMUNFSCED-UHFFFAOYSA-N 232.249 2.679 0 40 BFAB CC(=O)Nc1ccc(NC(=O)C=C(C)C)cc1 22926683 MJLMHSXTRGPPHC-UHFFFAOYSA-N 232.283 2.550 0 40 BFAB O=C(O)c1ccc(-c2ccc(O)cc2)s1 34226956 KUFHZPOQBMGGDB-UHFFFAOYSA-N 220.249 2.819 0 40 BFAB CC[C@H](C)c1cnc(Cc2ccccc2)c(=O)[nH]1 36375189 BCOZUEQERBFXTL-NSHDSACASA-N 242.322 2.874 0 40 BFAB biogenic,in-vitro Cc1n[nH]c(-c2ccc3ccccc3c2)n1 36960700 TWZNFMUOTKLUGZ-UHFFFAOYSA-N 209.252 2.933 0 40 BFAB in-vitro Cc1ccc(-c2nc(C(=O)N(C)C)cs2)cc1 40473701 MYMIIPANVTVUJW-UHFFFAOYSA-N 246.335 2.820 0 40 BFAB CC(C)[C@@H](C)NC(=O)CCc1cccc(F)c1 40476642 QRWJDZUFSHDSEY-LLVKDONJSA-N 237.318 2.919 0 40 BFAB CC(C)Cn1nccc1NC(=O)[C@H]1CC=CCC1 40489390 NBDVUBOZAQFIED-LBPRGKRZSA-N 247.342 2.834 0 40 BFAB CC[C@@H]1CCCCN1C(=O)CC[C@H]1CCCO1 40505762 KFNWMMBKCVDUQE-CHWSQXEVSA-N 239.359 2.737 0 40 BFAB CC(C)O[C@H](CN)c1cccc(Cl)c1 43017983 YKHPLFHOQQECRS-LLVKDONJSA-N 213.708 2.765 0 40 BFAB CCN(Cc1cccc(C)c1)Cc1nnc(C)o1 48044686 DRQREYKDIJHSFT-UHFFFAOYSA-N 245.326 2.709 0 40 BFAB Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccco2)nc1 49376563 UOVCFOVTDOHRQN-QWRGUYRKSA-N 242.278 2.725 0 40 BFAB CC(C)Cc1n[nH]c(N)c1-c1cccs1 52901318 NCDPCUXDMYWNKC-UHFFFAOYSA-N 221.329 2.919 0 40 BFAB CC(C)[C@@H](C)NC(=O)[C@@H](C)Oc1ccccc1 57159841 DJEUIBMGUBBVSY-VXGBXAGGSA-N 235.327 2.615 0 40 BFAB COc1ccc(CCC(=O)N[C@@H](C)C(C)C)cc1 57160044 XLLNMRBXOGQNMY-LBPRGKRZSA-N 249.354 2.789 0 40 BFAB CCn1c(C(C)=O)nc2cccc(Cl)c21 62365646 GUHOUIKOICPGKG-UHFFFAOYSA-N 222.675 2.912 0 40 BFAB CCCCNc1cc(-c2ccccc2)nc(N)n1 68754952 SPFCBZYRAAVAJV-UHFFFAOYSA-N 242.326 2.938 0 40 BFAB CNc1ncccc1[C@H]1CCCN1CC(C)C 72212539 KPBBHRXXNPUMMF-CYBMUJFWSA-N 233.359 2.916 0 40 BFAB Cc1ccnc2c1c(Br)cn2C 82360979 OSIIAFHNLOKSCL-UHFFFAOYSA-N 225.089 2.644 0 40 BFAB CC(C)n1ccc(CNCc2cccc(F)c2)n1 84225411 JWBYIHAXIJEBJB-UHFFFAOYSA-N 247.317 2.893 0 40 BFAB CC(C)(C)OC(=O)N1CCC(=O)C12CCCC2 84326983 HHRNOJABFMZQFA-UHFFFAOYSA-N 239.315 2.509 0 40 BFAB O=Cc1coc(-c2cccc(Cl)c2)n1 90669474 BBFSHCIZLJMBBV-UHFFFAOYSA-N 207.616 2.808 0 40 BFAB CC(C)(C)Cc1nnc(NCc2cccnc2)o1 97231406 HNNLPQNRKZPAMK-UHFFFAOYSA-N 246.314 2.665 0 40 BFAB Cc1occc1C(=O)CC(=O)C(C)(C)C 101787668 PNZBTETYLHFHLD-UHFFFAOYSA-N 208.257 2.776 0 40 BFAB CC(C)(C)c1cc(Br)no1 148541933 MBDCFUHDHADNLB-UHFFFAOYSA-N 204.067 2.735 0 40 BFAB CCC(C)(C)NC(=S)Nc1cccc(C)n1 225645687 GSJJNBYQTOLPGD-UHFFFAOYSA-N 237.372 2.865 0 40 BFAB C[C@H](N[C@@H]1CCCC[C@H]1N)c1ccccc1 252516239 QQTZYYSHFALROI-IACUBPJLSA-N 218.344 2.607 0 40 BFAB COC(=O)CCCCC(=O)c1cccc(C)c1 259960379 UNEJXWZGRRNSBZ-UHFFFAOYSA-N 234.295 2.911 0 40 BFAB O=C(NC1CCC1)c1ccc2ncsc2c1 264507265 JNSXIVRFKPELFK-UHFFFAOYSA-N 232.308 2.579 0 40 BFAB CCc1cc(CO)c2cc(Cl)ccc2n1 685937565 ROFDKAIXKWHGJK-UHFFFAOYSA-N 221.687 2.943 0 40 BFAB O=C(N[C@@H]1CCCCCC[C@H]1O)c1ccccc1 1709149 DPAWCOZGSAXDJO-ZIAGYGMSSA-N 247.338 2.500 0 40 BFAB N[C@H](CC(=O)O)c1ccc(-c2ccccc2)cc1 2504823 BJZGTTDEOZUSRH-CQSZACIVSA-N 241.290 2.828 0 40 BFAB CNc1nc(-c2ccc3c(c2)OCCO3)cs1 5156808 BZVXMXVFNTYPBH-UHFFFAOYSA-N 248.307 2.623 0 40 BFAB C[C@H](O)c1cc2ccccc2nc1Cl 11727503 BNZZXSYIUHVITJ-ZETCQYMHSA-N 207.660 2.942 0 40 BFAB Cc1cccc(COCC2CCNCC2)c1 14631396 HFVWJDYKFXSOAL-UHFFFAOYSA-N 219.328 2.511 0 40 BFAB CCn1cc(NCc2ccc(F)cc2)c(C)n1 20350503 ARRMSQIZVYSFKT-UHFFFAOYSA-N 233.290 2.963 0 40 BFAB CCC(=O)CC(=O)c1cc(F)ccc1F 20375509 XUGCABGQQVFIGI-UHFFFAOYSA-N 212.195 2.517 0 40 BFAB O=C(O)c1ccc2ccc(Cl)cc2n1 26474817 JCGLRGUFLQNLIE-UHFFFAOYSA-N 207.616 2.586 0 40 BFAB in-vitro CCn1cc(NCc2ccc(OC)cc2)cn1 35781035 UWWZTVOZJXSOQL-UHFFFAOYSA-N 231.299 2.524 0 40 BFAB C[C@H](Nc1ncnc2ccccc12)[C@H]1CCCO1 37493049 QORNVGIUSDIGEH-GXFFZTMASA-N 243.310 2.609 0 40 BFAB CSCC(=O)c1ccccc1Br 38064060 VNYIDIADJRGNLW-UHFFFAOYSA-N 245.141 2.995 0 40 BFAB CCc1ccc([C@H](CN)N(CC)CC)cc1 38860319 ZQVOMQCKKHRCLC-AWEZNQCLSA-N 220.360 2.591 0 40 BFAB in-vitro Cc1ccc(C(=O)C[C@@H](C)CC(=O)O)c(C)c1 43214295 SXQPNPJMDDUDEB-SNVBAGLBSA-N 234.295 2.987 0 40 BFAB CCc1ccc(CN2CCCC[C@H]2CN)cc1 44539941 VDYKZWPFPNFSQA-HNNXBMFYSA-N 232.371 2.562 0 40 BFAB CC[C@@H](Cc1ccc(C)c(C)c1)C(=O)O 49669096 JODIWSUQMIDEBX-LBPRGKRZSA-N 206.285 2.957 0 40 BFAB CC(C)NC[C@@H]1CCCN1Cc1ccccc1 53648916 DOYPTDAMDJEVFG-HNNXBMFYSA-N 232.371 2.649 0 40 BFAB O=C(C1CC1)N1CCC[C@H]1c1ccc(F)cc1 55531777 RTTHNYWLUQCFHT-ZDUSSCGKSA-N 233.286 2.899 0 40 BFAB CCOc1ccc(C(=O)N[C@@H](C)C(C)C)cc1 57159819 URCHZVYRLATGOQ-NSHDSACASA-N 235.327 2.860 0 40 BFAB O=C(O)c1cnc(-c2cccc(Cl)c2)o1 57516274 SOBIGFWYRDTPRJ-UHFFFAOYSA-N 223.615 2.693 0 40 BFAB Cc1cccc(NCC(=O)N2CCCCC2)c1C 58374131 GVQGJMLRNLNWIG-UHFFFAOYSA-N 246.354 2.728 0 40 BFAB Fc1cc(F)c(F)c([C@H]2CCCN2)c1 72201794 JPHZSASVRMNOMF-SECBINFHSA-N 201.191 2.528 0 40 BFAB C[C@H](N)c1ccc(N(C)c2ccccc2)nc1 72225328 FUMNBZMEXDYIER-NSHDSACASA-N 227.311 2.869 0 40 BFAB c1cc(NC2CCCC2)nc([C@@H]2CCCNC2)c1 72386445 FJCCUHXDNXVUPX-GFCCVEGCSA-N 245.370 2.903 0 40 BFAB CC(C)C[C@@H](C)N1Cc2ccccc2OCC1=O 75165439 YFNHQYNGCNUNGH-GFCCVEGCSA-N 247.338 2.842 0 40 BFAB Clc1ccc(Cl)c(Cn2cncn2)c1 83697198 NBLIKDPHDUIKJY-UHFFFAOYSA-N 228.082 2.633 0 40 BFAB CC[C@@H](C)[C@@H](C)Nc1nc(CC(=O)O)cs1 87665284 ZIIIKLCUTXJLGP-HTQZYQBOSA-N 242.344 2.617 0 40 BFAB COc1c(F)cc(C)cc1Br 90413628 RYLULHNQORYBDT-UHFFFAOYSA-N 219.053 2.905 0 40 BFAB NCc1cncc(-c2ccc(Cl)cc2)c1 91351629 KHKZPUDQLZYPFB-UHFFFAOYSA-N 218.687 2.861 0 40 BFAB Cc1cn(C2(CO)CCCCC2)c2ncccc12 95644198 VLQYLJOLDBPFOF-UHFFFAOYSA-N 244.338 2.996 0 40 BFAB CCCOc1c(F)cc([C@@H](C)O)cc1F 95739586 GIDPOFBJISZVIP-SSDOTTSWSA-N 216.227 2.807 0 40 BFAB CC(C)CCOc1c(F)cc(F)cc1CO 95739715 ZXHMVOXHORHXQS-UHFFFAOYSA-N 230.254 2.882 0 40 BFAB Cc1ccc(C)c(C(=O)OC2CCOCC2)c1 97230286 SRMUQABDABQGQR-UHFFFAOYSA-N 234.295 2.639 0 40 BFAB Cc1cccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1 100490987 PSKSWJCLXCHTTR-BETUJISGSA-N 243.306 2.675 0 40 BFAB COc1ccc2c(c1)[C@H]1[C@H]3[C@H]4C=C[C@@H]4[C@H]2[C@H]13 101003227 MSMIFVCPETXJCQ-BJSCFCGFSA-N 210.276 2.938 0 40 BFAB C[C@@H](NC(=O)c1ccncc1)[C@@H]1C[C@H]2CC[C@H]1C2 102840128 QWPBNHGILXSDPW-XWUBHJNHSA-N 244.338 2.636 0 40 BFAB COc1cccc(C2=CC[C@@H](C(=O)O)CC2)c1 108259727 ZPMNAAHQHAPIPR-LLVKDONJSA-N 232.279 2.963 0 40 BFAB COCCn1c(C)cs/c1=N/c1ccccc1 108671125 QQNPZRJMOAHNSA-BUHFOSPRSA-N 248.351 2.737 0 40 BFAB CCCCNc1ccc(N)cc1C(=O)NC(C)C 225453059 REDKBOPMXXKFNE-UHFFFAOYSA-N 249.358 2.619 0 40 BFAB c1cc(-c2cnc(N3C[C@H]4CC[C@H]3C4)nc2)co1 1888890621 PRWDEMFCQJKLTJ-GWCFXTLKSA-N 241.294 2.725 0 40 BFAB COc1ccc(NC(=O)[C@H]2CC23CCC3)cc1 34173 ARBZHNBCGNQINX-GFCCVEGCSA-N 231.295 2.824 0 40 BFAB Cc1c(Br)cnn1-c1ccccc1 158820 GRERYMFLSYSEAY-UHFFFAOYSA-N 237.100 2.943 0 40 BFAB Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 250141 VCDZSVIMPRTHGL-IACUBPJLSA-N 229.323 2.913 0 40 BFAB Cc1cc(C)n(C(=O)c2ccccc2Cl)n1 282963 IARJJCVPPPWSAK-UHFFFAOYSA-N 234.686 2.842 0 40 BFAB c1ccc2nc(-c3cnccn3)ccc2c1 1384435 KWPJJKVVKMSWRY-UHFFFAOYSA-N 207.236 2.692 0 40 BFAB Cc1ccn2cc(-c3cnoc3C)nc2c1 1403521 VFOLLJDHPQGEIX-UHFFFAOYSA-N 213.240 2.606 0 40 BFAB Nc1ccnn1Cc1ccc(C(F)(F)F)cc1 4218906 CQQNWCGDXGYYLR-UHFFFAOYSA-N 241.216 2.532 0 40 BFAB in-vitro CCOCCCNCc1ccccc1C 8253212 PMSPSZSWGBGIQM-UHFFFAOYSA-N 207.317 2.511 0 40 BFAB Cc1ccc(OC(=O)c2snnc2C)cc1C 8673499 ZLGWNFMHYGPHAI-UHFFFAOYSA-N 248.307 2.683 0 40 BFAB COc1ccc(NC(=O)c2occc2C)cc1 9387100 BRNGUQKZTFNDLZ-UHFFFAOYSA-N 231.251 2.849 0 40 BFAB CCOc1ccccc1NC(=O)c1ccoc1 12871407 OZBVDTJZXWOGPB-UHFFFAOYSA-N 231.251 2.931 0 40 BFAB Cc1cccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)c1C 12978825 NZXUFRCDGTXOOL-VXGBXAGGSA-N 247.338 2.553 0 40 BFAB C[C@@H]1C[C@H]1C(=O)N(C)Cc1ccc(Cl)cc1 12979427 AHXDZHQQWSTZBK-BXKDBHETSA-N 237.730 2.954 0 40 BFAB CCC(CC)NC(=O)c1ccc(F)cc1F 12983569 KXQCTUHKVWTUAD-UHFFFAOYSA-N 227.254 2.883 0 40 BFAB O=C(Cc1ccc(F)cc1)NCc1ccsc1 13698105 QXHJFXRCTKXEBR-UHFFFAOYSA-N 249.310 2.746 0 40 BFAB Brc1cccc(N2C=CC=CN2)c1 15021192 KARBMIWLGXWJGW-UHFFFAOYSA-N 237.100 2.801 0 40 BFAB O=C(C1CCC1)N1CCC(c2ccncc2)CC1 15825700 ZODHLESHUHCGHF-UHFFFAOYSA-N 244.338 2.588 0 40 BFAB CSC(=S)c1nc2ccccc2nc1C 16265138 DLVNIPQQIAUQES-UHFFFAOYSA-N 234.349 2.977 0 40 BFAB CC(C)CCO[C@H](C(=O)O)c1ccccc1 19504013 FGHDZIRKBRPXGB-LBPRGKRZSA-N 222.284 2.875 0 40 BFAB COCCN[C@@H](C)c1ccc(OC(C)C)cc1 19881636 JPEYNBQVZUPJBL-LBPRGKRZSA-N 237.343 2.771 0 40 BFAB c1ccc(CCNC2CCCCC2)nc1 19916918 YNNRJQTUBVOCJI-UHFFFAOYSA-N 204.317 2.546 0 40 BFAB Cc1nn(C)c(C)c1CNc1ccccc1 20085398 RLZISTFGIBZFLL-UHFFFAOYSA-N 215.300 2.649 0 40 BFAB CCOC(=O)c1cccc(NC(=O)C=C(C)C)c1 23912534 ZIRMJKBAVJUUOA-UHFFFAOYSA-N 247.294 2.768 0 40 BFAB N#CNc1nccc(-c2ccccc2Cl)n1 32105328 IGWDKOSRDZSYCW-UHFFFAOYSA-N 230.658 2.690 0 40 BFAB Cc1ccc(C(=O)Nc2cccc(F)c2)cn1 32895361 JLYFMVQGFUOZPS-UHFFFAOYSA-N 230.242 2.781 0 40 BFAB CC1CCN(C[C@H](O)c2ccc(F)cc2)CC1 33466106 BHJUBTPQVJFOSZ-AWEZNQCLSA-N 237.318 2.591 0 40 BFAB O=C(c1ccccc1)c1c[nH]c2ncccc12 34597705 SDTVSOYPNNRGOJ-UHFFFAOYSA-N 222.247 2.794 0 40 BFAB O=C(O)c1cnc(-c2ccccc2F)s1 34938251 XXKQUDUROIXGAP-UHFFFAOYSA-N 223.228 2.647 0 40 BFAB in-vitro Nc1nc(Cl)c2[nH]c(-c3ccccc3)cc2n1 39171279 QTQXQWXWYNHHTD-UHFFFAOYSA-N 244.685 2.861 0 40 BFAB CC(C)(C)N[C@H](CO)c1ccccc1Cl 39233499 GCUOCDSZJSGJJA-LLVKDONJSA-N 227.735 2.762 0 40 BFAB C[C@H](Cc1ccco1)NC(=O)c1cccs1 42381750 JOTZZRNPPVMUSY-SECBINFHSA-N 235.308 2.702 0 40 BFAB CC[C@H](C)NC(=O)CCOc1ccc(F)cc1 45262887 FCZHFWVQCRTHFE-JTQLQIEISA-N 239.290 2.509 0 40 BFAB CC[C@H](C(=O)NCC(F)(F)F)c1ccccc1 57160067 MVTZUZYGAOEKQG-JTQLQIEISA-N 245.244 2.859 0 40 BFAB O=C(O)C1CC(c2ccc(Cl)cc2)C1 59844071 CSCPLLVXRGZRBL-UHFFFAOYSA-N 210.660 2.918 0 40 BFAB CC[C@H](Oc1cc(C)c(Cl)c(C)c1)C(N)=O 61679869 GDQNPHGMFOUFKX-JTQLQIEISA-N 241.718 2.600 0 40 BFAB CCCCCCNCc1cnc(SC)nc1 62717218 DMPQJKNXNCTZAP-UHFFFAOYSA-N 239.388 2.868 0 40 BFAB C1=C(c2cncc3ccccc23)CCNC1 68949089 RTMAOTZUQASTNC-UHFFFAOYSA-N 210.280 2.612 0 40 BFAB OC1=N[C@H](c2ccsc2)N2CCCC[C@H]12 71967380 WAENQLOOEBXYDO-ZJUUUORDSA-N 222.313 2.571 0 40 BFAB C[C@H](CC(=O)Nc1ccccc1)[C@@H]1CCCNC1 72208247 MPUZAHBAHORFIS-CHWSQXEVSA-N 246.354 2.651 0 40 BFAB CCOc1ccccc1CNc1cc(C)on1 83358747 DLBWUJZLDGNWGF-UHFFFAOYSA-N 232.283 2.994 0 40 BFAB O=C(O)CC1(c2cccc(F)c2)CCC1 84386722 NOJBLQADCWXHAW-UHFFFAOYSA-N 208.232 2.722 0 40 BFAB CCOc1cccc([C@@](C)(O)C2CC2)c1 87334034 XBRLTESYVKYNFL-ZDUSSCGKSA-N 206.285 2.703 0 40 BFAB C[C@@H](CCn1cccn1)NC1CCCCC1 97234076 GLATZSWIPWBSEJ-LBPRGKRZSA-N 221.348 2.584 0 40 BFAB O=C(c1ccc(-n2ccnc2)cc1)C(F)(F)F 101106441 QDMPPPINOFMHJD-UHFFFAOYSA-N 240.184 2.617 0 40 BFAB Cc1csc(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)n1 102070343 TWKOKBQQEGAVOJ-OPRDCNLKSA-N 236.340 2.826 0 40 BFAB Cc1ccnc(NC(=O)[C@H]2C[C@@H]3CC[C@@H]2C3)c1 102077978 QJUPMGBJQLVNIJ-UTUOFQBUSA-N 230.311 2.765 0 40 BFAB CC(C)(C)CCn1ccnc1[C@H](O)c1ccco1 187237380 ZQMYWFMLZJFRME-GFCCVEGCSA-N 248.326 2.994 0 40 BFAB FC1(c2ccc(Br)cc2)COC1 202066115 SQVOYDWWROMJHE-UHFFFAOYSA-N 231.064 2.644 0 40 BFAB COc1c(C(=O)NC(C)C)oc2ccccc12 252480936 CGLIBAXULSGVKW-UHFFFAOYSA-N 233.267 2.580 0 40 BFAB CCOC(=O)CCc1c[nH]c2cccc(C)c12 1857793182 ZVKFJQUXSGNWOI-UHFFFAOYSA-N 231.295 2.972 0 40 BFAB CCN(CC)C(=O)Nc1ccc(NC(C)=O)cc1 152061 LAARJUVNGXTBDJ-UHFFFAOYSA-N 249.314 2.519 0 40 BFAB C[C@@H]1C[P@@](=O)(c2ccccc2)[C@H](C)CC1=O 361531 QEYLIZRHTPFMRZ-UVWXRNBGSA-N 236.251 2.672 0 40 BFAB COc1cccc(C(=O)Oc2cccc(O)c2)c1 365042 LEMLFUMEYPRRNF-UHFFFAOYSA-N 244.246 2.620 0 40 BFAB c1ccc2c3c([nH]c2c1)[C@@H]1CCCN1CC3 1630521 LXJWBHIVLXMHDZ-ZDUSSCGKSA-N 212.296 2.861 0 40 BFAB biogenic,in-vitro C[C@@H]1CO[C@H](c2cc3c(cc2Cl)OCO3)O1 1656202 UTIZIJGZPHPMHN-KBUNVGBDSA-N 242.658 2.503 0 40 BFAB NC(=O)c1ccccc1C(Cl)(Cl)Cl 1728108 IZWNPFDXQYVCNS-UHFFFAOYSA-N 238.501 2.612 0 40 BFAB CCOCCCNc1nc2cccnc2s1 7987783 UVRSYTRRMRDAEU-UHFFFAOYSA-N 237.328 2.530 0 40 BFAB Cc1nn2cc(-c3ccc(F)cc3)nc2s1 7994979 PEDVFFXVANGNSM-UHFFFAOYSA-N 233.271 2.905 0 40 BFAB c1ccc(C[C@H]2COCC3(CCCC3)N2)cc1 11950336 RIKPMSXGMQAXAH-AWEZNQCLSA-N 231.339 2.530 0 40 BFAB CCCC(=O)Nc1ccc2c(c1)OC(F)(F)O2 13007252 QCOQBWJHUWBKDL-UHFFFAOYSA-N 243.209 2.747 0 40 BFAB c1ccc(-c2noc([C@@H]3CCCCN3)n2)cc1 19230855 DELWBQUNMJKVQW-NSHDSACASA-N 229.283 2.551 0 40 BFAB CCC[C@H](C)C(=O)Nc1ccc(N)cc1F 20157264 WSDYULRQZPDFDD-QMMMGPOBSA-N 224.279 2.783 0 40 BFAB Cc1cc(-c2cc(C(=O)O)no2)c(C)s1 20444818 DLFBRUPWUSDKFR-UHFFFAOYSA-N 223.253 2.718 0 40 BFAB O[C@@H](c1ccc(C(F)(F)F)nc1)C(F)(F)F 25336472 HNYGGCHYEXEFKE-LURJTMIESA-N 245.122 2.696 0 40 BFAB in-vitro CC[C@H](C)NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1 32611021 MTQYSXCEBQNFJO-QWHCGFSZSA-N 249.354 2.985 0 40 BFAB CSCCC(=O)N1CCC[C@H]2CCCC[C@@H]21 32819606 KDTVQBRNAXGWIK-NEPJUHHUSA-N 241.400 2.921 0 40 BFAB O=C1CCN2CCc3c(oc4ccccc34)[C@@H]2C1 33979159 ZRDWYECCNDBGMN-ZDUSSCGKSA-N 241.290 2.695 0 40 BFAB CCOC(=O)c1cc2c(F)ccc(F)c2[nH]1 35364679 CKAROLHHGMJUDG-UHFFFAOYSA-N 225.194 2.623 0 40 BFAB O=C(C[C@H]1C=CCC1)NCCc1ccc(F)cc1 36392858 USBJETGFOXKBRY-ZDUSSCGKSA-N 247.313 2.841 0 40 BFAB CC(C)(C)SCC(=O)Nc1cccnc1 40459463 FWOIZZBIQHEPCI-UHFFFAOYSA-N 224.329 2.552 0 40 BFAB Cc1ccc(NC(=O)NC(C)C)cc1F 40512087 JWYYBPCJGVROOH-UHFFFAOYSA-N 210.252 2.664 0 40 BFAB Cc1ccc(C)c(OCC(=O)N[C@@H](C)C(C)C)c1 41104065 SEALVBHQLNTVKF-ZDUSSCGKSA-N 249.354 2.843 0 40 BFAB Nc1c(Br)cnc2ccc(F)cc12 41702223 RHGXUHXNUGSNLG-UHFFFAOYSA-N 241.063 2.719 0 40 BFAB COCCN(C)Cc1ccccc1C(F)(F)F 43644239 YECFWHUUWKZEPN-UHFFFAOYSA-N 247.260 2.784 0 40 BFAB CC(C)=CC(=O)N(C)Cc1ccsc1 61529158 GYWOOBBQAVEEHP-UHFFFAOYSA-N 209.314 2.673 0 40 BFAB O[C@@H](c1ccc(F)c(Cl)c1)C1CC1 70735945 ZYNWOFYKLLURGL-SNVBAGLBSA-N 200.640 2.923 0 40 BFAB CC(C)Nc1nc(N)c(-c2ccncc2)s1 71283839 JODDONMNWHRJGB-UHFFFAOYSA-N 234.328 2.608 0 40 BFAB CCCNc1ccc([C@H](N)CC)c(C)n1 72224258 RRFXVNZLBFJQEM-LLVKDONJSA-N 207.321 2.622 0 40 BFAB CCCCOc1cc(F)c(N)c(F)c1 91252314 QJBXYVXNGAAECC-UHFFFAOYSA-N 201.216 2.726 0 40 BFAB Cc1cc(CN(C)C[C@@H]2CC=CCC2)no1 92254127 OTEVGDCZIRRMGI-GFCCVEGCSA-N 220.316 2.771 0 40 BFAB Cc1noc(C)c1[C@H](C)CNCc1ccccn1 95434246 ONEQAOOKUWFPQZ-SNVBAGLBSA-N 245.326 2.580 0 40 BFAB CO[C@@H](C)c1nc(N)cc(-c2ccc(C)cc2)n1 96529229 DHMWXXOMJMCASB-JTQLQIEISA-N 243.310 2.742 0 40 BFAB CSc1cc(C(=O)OC2CCC2)ccn1 97049048 OYEYESYDMSMFPF-UHFFFAOYSA-N 223.297 2.513 0 40 BFAB Cc1cnc(Cl)nc1Nc1nccs1 98181673 KSRQBZFEBQQSCH-UHFFFAOYSA-N 226.692 2.639 0 40 BFAB CC(C)c1cnn2cc(Br)cnc12 98213895 WHCCMYROAZXCKA-UHFFFAOYSA-N 240.104 2.615 0 40 BFAB O=C1NCC/C1=C/c1ccc(C(F)(F)F)cc1 103469629 FHSYOTAYRALNBW-CLFYSBASSA-N 241.212 2.609 0 40 BFAB CC(=O)c1cc(C)n(-c2cccnc2)c1C 113689187 WIOLJHGZCLHHTM-UHFFFAOYSA-N 214.268 2.692 0 40 BFAB Cc1ccc([S@](=N)(=O)C(F)(F)F)cc1 145038085 CTZKLZFELWMINB-AWEZNQCLSA-N 223.219 2.920 0 40 BFAB CC(C)(C)OC(=O)NCCCc1ccccn1 178914259 OEPCLFYKVNWTFU-UHFFFAOYSA-N 236.315 2.539 0 40 BFAB CCCCCNc1ccn(C(F)F)n1 256050394 DVKZCMXCMRRZCS-UHFFFAOYSA-N 203.236 2.880 0 40 BFAB CCCOCc1nn(CCC)cc1Cl 408715609 XCAUEMHVMZOIGR-UHFFFAOYSA-N 216.712 2.873 0 40 BFAB Cc1ccc(O[C@@H]2CCc3ccccc32)nn1 585652023 UUUYCVOMXKBIFV-CYBMUJFWSA-N 226.279 2.851 0 40 BFAB CC1(C)C[C@@H](Nc2cncc(Cl)c2)CO1 691086909 FWDJVCRYFPAHIL-SNVBAGLBSA-N 226.707 2.714 0 40 BFAB c1cnc(N2[C@H]3CC[C@H]2CC(=C2CC2)C3)cn1 1776009008 FYDMYBNSCMOORK-STQMWFEESA-N 227.311 2.698 0 40 BFAB CCc1ccccc1NC(=O)c1cnoc1C 385572 NRHPCNAPVNUKNE-UHFFFAOYSA-N 230.267 2.798 0 40 BFAB Cc1cccnc1NC(=O)c1ccc(F)cc1 853317 HZZOIQUGYQWAPX-UHFFFAOYSA-N 230.242 2.781 0 40 BFAB S=C1SCCCN1c1ccccc1 2024897 PWYLOIOFINPECL-UHFFFAOYSA-N 209.339 2.915 0 40 BFAB O=Cc1ccc(-c2ccccc2CC(=O)O)cc1 2581022 BHPKMOXMGSWOOV-UHFFFAOYSA-N 240.258 2.793 0 40 BFAB CCCCNCc1cccc(OCC)c1 7261722 YDLTUCPVBSONEI-UHFFFAOYSA-N 207.317 2.975 0 40 BFAB C[C@@H]1CC(=O)c2cnn(-c3ccccc3)c2C1 8559621 FWAFCOQCRNJQPS-JTQLQIEISA-N 226.279 2.637 0 40 BFAB COc1ccc(N)cc1NC(=O)C1CCCCC1 8703561 RUANFLFAHDPNLN-UHFFFAOYSA-N 248.326 2.796 0 40 BFAB O=C(OCc1cc(-c2cccs2)on1)C1CC1 12236711 CUEMJXRFYJKOCJ-UHFFFAOYSA-N 249.291 2.856 0 40 BFAB CC(C)CCNC(=O)Cc1c[nH]c2ccccc12 12893439 XDBISSYTLBFZHP-UHFFFAOYSA-N 244.338 2.873 0 40 BFAB biogenic C[C@H](NC(=O)C1CCC1)c1ccccc1F 12915293 AALLHYHMGIWUSB-VIFPVBQESA-N 221.275 2.803 0 40 BFAB O=C(CCc1ccncc1)c1ccccc1 13284242 DZJBQKLCTJMZSJ-UHFFFAOYSA-N 211.264 2.897 0 40 BFAB OCc1ccncc1-c1nc2ccccc2s1 16739582 HRLCUOXEGQNBSH-UHFFFAOYSA-N 242.303 2.851 0 40 BFAB CCSc1nc(-c2ccccc2)cc(=O)[nH]1 18127932 JUSHOYXQHVQBDG-UHFFFAOYSA-N 232.308 2.549 0 40 BFAB CC[C@H](N)c1ccc(OC)c(Br)c1 20362686 UVRCKYRPBOUAQV-VIFPVBQESA-N 244.132 2.868 0 40 BFAB C[C@@H](NC(=O)C[C@H]1C=CCC1)c1ccncc1 27406069 IHNZUSOBQPPTOA-NEPJUHHUSA-N 230.311 2.615 0 40 BFAB N#Cc1c(Cl)nc(Cl)c2c1CCC2 32249489 ZCRYHTATGWYSMB-UHFFFAOYSA-N 213.067 2.749 0 40 BFAB O=C(O)c1ccccc1Oc1ccccn1 40541986 CLVADGGXOXDLIW-UHFFFAOYSA-N 215.208 2.572 0 40 BFAB in-vitro COc1ccc(CN2C[C@@H](C)OCC2(C)C)cc1 41194197 IMHMKHDOQBIJNG-GFCCVEGCSA-N 249.354 2.695 0 40 BFAB CC(C)c1ccc(C[C@H](C)[C@@H](N)CC(=O)O)cc1 44215210 MMGDWUDUVAVLSO-FZMZJTMJSA-N 249.354 2.791 0 40 BFAB CC(=O)N[C@H]1CC(C)(C)Cc2oc(C)cc21 44686233 YUVNCBVOTWCVFT-NSHDSACASA-N 221.300 2.738 0 40 BFAB Nc1ccc(-c2nc(-c3cccs3)n[nH]2)cc1 54700157 AMQSBQKYRHGNJZ-UHFFFAOYSA-N 242.307 2.782 0 40 BFAB O=C(NC(C1CC1)C1CC1)c1cccc(F)c1 57547440 NMKNEHFPZNWUTN-UHFFFAOYSA-N 233.286 2.744 0 40 BFAB CCc1noc(CN2c3ccccc3C[C@@H]2C)n1 58311853 WUESYMDBKGWEKW-JTQLQIEISA-N 243.310 2.583 0 40 BFAB CC1(C)NCC[C@@H]1c1cc(F)c(F)c(F)c1 62720793 XCVSQNDIERIBSB-MRVPVSSYSA-N 229.245 2.959 0 40 BFAB Cc1cc(Br)ccc1OC[C@@H]1CO1 63061885 LLGVTBVOLLSFLV-VIFPVBQESA-N 243.100 2.535 0 40 BFAB CCCCNC(=O)N[C@@H](C)c1cccc(O)c1 68556318 ASIXKLZWLWFCIB-JTQLQIEISA-N 236.315 2.553 0 40 BFAB C[C@H](NCc1ccsc1)[C@H](C)n1cccn1 69368696 ZDFDIQXPSLXFRU-QWRGUYRKSA-N 235.356 2.684 0 40 BFAB Cc1cc(N[C@@H](C)CCO)c2ccccc2n1 77226269 QZDJPFBXBFYFPG-JTQLQIEISA-N 230.311 2.726 0 40 BFAB O=C(O)C1(Oc2cccc3ccccc23)CC1 85392755 UACVELXCTMBJAL-UHFFFAOYSA-N 228.247 2.836 0 40 BFAB N[C@@H](c1ccccc1C(F)(F)F)C(F)F 87688202 PMRIHIDNHBRPGF-ZETCQYMHSA-N 225.160 2.970 0 40 BFAB CCCN[C@@H](C)CSC(F)(F)F 95918301 ZWDQQLAXRPMIOC-LURJTMIESA-N 201.257 2.628 0 40 BFAB Cc1ccc(C2(O)C3[C@@H]4C5CC6[C@H]4C2[C@H]6[C@@H]53)cc1 103946644 WHYBBQKFUVQAIC-FWYWCWPGSA-N 238.330 2.570 0 40 BFAB Nc1cccc(COCCC(F)(F)F)c1 131560340 SNEHYOKLTWIBDV-UHFFFAOYSA-N 219.206 2.738 0 40 BFAB CC[C@H](C(=O)O)N(C)c1ccc(Cl)cc1 224988662 UIWYRMLVKZYJIT-SNVBAGLBSA-N 227.691 2.639 0 40 BFAB Cc1cnn(CCF)c1NCCC(C)C 256049697 BALJLGWCWRYJMP-UHFFFAOYSA-N 213.300 2.619 0 40 BFAB FC(F)n1ccc(NCc2cccs2)n1 256051902 KZJNENRBXCSRCD-UHFFFAOYSA-N 229.255 2.952 0 40 BFAB FC(F)n1ccc(NCc2ccccc2)n1 256053524 RUDHWYJPEUPSSU-UHFFFAOYSA-N 223.226 2.890 0 40 BFAB Cc1c[nH]c([C@H]2CCCN2Cc2cscn2)n1 257267614 MIBJQUORFWWBRI-LLVKDONJSA-N 248.355 2.512 0 40 BFAB C[C@@H](F)CCN1CCCC2(CCOCC2)C1 334502851 CGJLWDAXNWXRAY-GFCCVEGCSA-N 229.339 2.627 0 40 BFAB CC(=O)CCOCC(C)(C)C(F)(F)F 1083807020 QYFUJBBYWHJBKO-UHFFFAOYSA-N 212.211 2.571 0 40 BFAB O=c1c2ccccc2ncn1-c1ccccc1F 32602 UQQDBFGCCOCPAG-UHFFFAOYSA-N 240.237 2.525 0 40 BFAB CC1(C)CCC[C@]2(C)[C@@H](CO)[C@](C)(O)CC[C@H]12 276391 MLWFPIRGSGERCY-RJZRQDKASA-N 240.387 2.972 0 40 BFAB C[C@@H](CCc1ccccc1)NC(=O)[C@H]1C[C@@H]1C 1457201 ODKGPKDUWUIWBK-OBJOEFQTSA-N 231.339 2.780 0 40 BFAB O=C1O[C@@H](c2ccccc2)C[C@@H]1N1CCCCC1 1842992 OTUIWPRWKLUVLB-UONOGXRCSA-N 245.322 2.529 0 40 BFAB Fc1nc(C(F)(F)F)c(Cl)s1 2540189 HRFXYUQADOUWIU-UHFFFAOYSA-N 205.563 2.954 0 40 BFAB O=C(NC1CCCC1)c1ccc2c(c1)CCC2 7889098 XSUGUUPZDYQTDK-UHFFFAOYSA-N 229.323 2.848 0 40 BFAB C[C@H]1CC[C@H](C)N1c1ccccc1C(=O)O 8703798 XMFPLVXRBHLBQZ-UWVGGRQHSA-N 219.284 2.762 0 40 BFAB C[C@H](NC(=O)Nc1ccccc1)c1ccncc1 18172011 PKWGRFWMJAFUEN-NSHDSACASA-N 241.294 2.964 0 40 BFAB C[C@H]1CN(c2ccc(N)cc2Cl)C[C@H](C)O1 19094117 AFDLMBVDIMFVHA-IUCAKERBSA-N 240.734 2.536 0 40 BFAB C[C@H](Oc1ccc(C(=O)O)cn1)c1ccccc1 19277618 GFKYDDFOEVZSRF-JTQLQIEISA-N 243.262 2.920 0 40 BFAB in-vitro CC12CN3CC(C)(CN(C1)C31CCCCC1)C2 19323029 UJVICOCWFKMUBX-UHFFFAOYSA-N 234.387 2.694 0 40 BFAB biogenic NC(=O)c1ccc(CNc2cccc(F)c2)cc1 20051146 ASLRHGHIKQLKDM-UHFFFAOYSA-N 244.269 2.537 0 40 BFAB in-vitro FC(F)(F)c1cccc(N2CCCNCC2)c1 26896763 VUANMGYRFIKLTK-UHFFFAOYSA-N 244.260 2.505 0 40 BFAB O=C(O)/C=C\c1cc(F)cc(C(F)(F)F)c1 33364688 BALLIUNVQMPIFI-UPHRSURJSA-N 234.148 2.942 0 40 BFAB Cc1ccc(CN(C)C(=O)c2ccsc2)o1 39976124 GIOZFWNGIONPFW-UHFFFAOYSA-N 235.308 2.922 0 40 BFAB CN(Cc1ccc(Cl)s1)C(=O)C1CC1 40460956 JKCQWRLVUQXNAJ-UHFFFAOYSA-N 229.732 2.770 0 40 BFAB NC[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 40955415 YOWILGGJTLQJCW-PSASIEDQSA-N 215.218 2.768 0 40 BFAB COc1ccccc1COCC[C@@H]1CCCCN1 42771851 YCUMLUIRBJFGGA-AWEZNQCLSA-N 249.354 2.744 0 40 BFAB Nc1cccc(NC(=O)Oc2ccccc2)c1 47843687 IXRLLLRWRZSZLT-UHFFFAOYSA-N 228.251 2.880 0 40 BFAB in-vitro CC(C)c1cc(NC(=O)c2cccs2)[nH]n1 49044456 IKYJCPVSQBIKPW-UHFFFAOYSA-N 235.312 2.847 0 40 BFAB CCC(=O)NCc1ccc(C(F)(F)F)cc1 53197289 RFBIIXCJFYHQCT-UHFFFAOYSA-N 231.217 2.732 0 40 BFAB O=C(O)c1sc2cc(O)ccc2c1Cl 57715374 ZSNZPSCANNHGIK-UHFFFAOYSA-N 228.656 2.959 0 40 BFAB O=C(O)C1(c2ccc(F)cc2Cl)CCC1 62606980 YFQUMKGMXGMINF-UHFFFAOYSA-N 228.650 2.985 0 40 BFAB COC(=O)c1ccc(Oc2ccc(C=O)o2)cc1 72228422 KTDDZCHWPGVADA-UHFFFAOYSA-N 246.218 2.671 0 40 BFAB Clc1ncnc2c(-c3ccccc3)n[nH]c12 89157508 LGFGYRLFLSIQBH-UHFFFAOYSA-N 230.658 2.673 0 40 BFAB CC(=O)Nc1ccc2nn(C(C)C)cc2c1 89894075 LKFDZWSVPRGXQR-UHFFFAOYSA-N 217.272 2.576 0 40 BFAB CC(C)Oc1cc(C(=O)O)sc1Cl 96510784 FGJKNERUVOLOBB-UHFFFAOYSA-N 220.677 2.887 0 40 BFAB C[C@H](N[C@H](C)C[C@@H]1CCCO1)c1ccco1 97016423 KNXQBDBJRRLPMW-WOPDTQHZSA-N 223.316 2.888 0 40 BFAB Cc1cc(C(=O)N[C@@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)no1 101494782 XZTDGTZGCCWLJK-IRCOFANPSA-N 248.326 2.538 0 40 BFAB CCCCCNCc1cnn(CC(C)C)c1 134777523 XINYQXKNMALUEV-UHFFFAOYSA-N 223.364 2.819 0 40 BFAB Cc1ccc(Br)c(C2OCCO2)c1 200122700 ROQONLCDTGWTBV-UHFFFAOYSA-N 243.100 2.803 0 40 BFAB COc1ccc(OC)c2c1[C@H]1CC[C@H]2[C@@H](O)[C@H]1C 253599272 PBLXHRFSCYJJPB-AMDHYVTDSA-N 248.322 2.675 0 40 BFAB Cc1nn(C(C)C)cc1NCc1ccco1 256052121 LZLSHGQAOINLIQ-UHFFFAOYSA-N 219.288 2.978 0 40 BFAB CC(=O)OC(C)(C)C(=O)c1cccc(C)c1 382675589 OZAFJWPISGUJBJ-UHFFFAOYSA-N 220.268 2.519 0 40 BFAB COC(=O)NCc1ccc(-c2ccsc2)o1 575610499 OPTAWUAHSHXEHX-UHFFFAOYSA-N 237.280 2.864 0 40 BFAB Cc1cccc2ncc(OC3CC3)c(C(=O)O)c12 685937713 XMOPPXATDLZZMP-UHFFFAOYSA-N 243.262 2.783 0 40 BFAB COc1ccc2c(=O)c(C)c(C(C)C)[nH]c2c1 685938534 NCMNVCRURROVQQ-UHFFFAOYSA-N 231.295 2.969 0 40 BFAB C[C@@H]1CN(C(=O)CCn2cccc2)C(C)(C)C1 746656332 FUTRMCPHMHHUDC-LBPRGKRZSA-N 234.343 2.525 0 40 BFAB O=C(Nc1cnc2c(F)cccc2c1)C1CC1 1527990245 MFJSDOAAZZBUIW-UHFFFAOYSA-N 230.242 2.722 0 40 BFAB COCn1c(CC(C)C)nc2ccccc21 1470596 XUJQLVGXZUWWQC-UHFFFAOYSA-N 218.300 2.839 0 40 BFAB CNC[C@H](OC)c1cccc(C(F)(F)F)c1 2018873 CXLOIJUDIPVKOU-JTQLQIEISA-N 233.233 2.612 0 40 BFAB in-man CC(C)CN(CCCCCN)CC(C)C 2563387 LLOCHSZLPLWNJG-UHFFFAOYSA-N 214.397 2.729 0 40 BFAB in-vitro Brc1ccc(C[C@@H]2CCCN2)cc1 3732347 PRNKZLSWJHKYQX-NSHDSACASA-N 240.144 2.744 0 40 BFAB in-vitro C[C@H](O)CCc1ccc2c(c1)N[C@H](C)CC2 3844785 VQCFFZSNUJTBPB-MNOVXSKESA-N 219.328 2.747 0 40 BFAB biogenic CCC(CC)NC(=O)c1ccc(N(C)C)cc1 4561499 GWWRYRIVACFZQS-UHFFFAOYSA-N 234.343 2.671 0 40 BFAB CCNC(=O)c1ccccc1SCC 4704409 DRNYXRUKJRFDNH-UHFFFAOYSA-N 209.314 2.548 0 40 BFAB O=C(NC[C@@H]1C[C@H]2CC[C@@H]1C2)c1cccs1 5677445 UMDFYPUNCLCKTA-AXFHLTTASA-N 235.352 2.914 0 40 BFAB COc1nc(-c2ccc(Cl)cc2)nnc1C 6921822 VPSFSJFGYPWTBZ-UHFFFAOYSA-N 235.674 2.509 0 40 BFAB CC[C@@H](C)C(=O)Nc1ccc(N)c(C)c1 8703485 PBXOCHALHVMXSX-MRVPVSSYSA-N 206.289 2.562 0 40 BFAB CCOc1ccc(C[C@@H](CC)C(=O)O)cc1 11976854 UHGKAUTZMGMTOO-LLVKDONJSA-N 222.284 2.739 0 40 BFAB Cc1ccc(C)c(C(=O)c2cccnc2)c1 22121740 WJWWJSUSISGRGG-UHFFFAOYSA-N 211.264 2.929 0 40 BFAB Cc1cc(C)nc(N2CCc3ccccc3C2)n1 24052500 FQQURZIZGHAVTI-UHFFFAOYSA-N 239.322 2.656 0 40 BFAB Cc1cc(C(=O)N2CCCC[C@H]2C)c(C)o1 28225660 PCDGUVAFWVFVPI-SECBINFHSA-N 221.300 2.911 0 40 BFAB O=C(NCc1cccs1)[C@@H]1CC=CCC1 32994413 ZYTJPIJNEORIDE-SNVBAGLBSA-N 221.325 2.721 0 40 BFAB O=C(O)c1csc(Cc2ccc(F)cc2)n1 36220693 LKDUMIREGXDTSP-UHFFFAOYSA-N 237.255 2.571 0 40 BFAB in-vitro NCc1ccc(-c2c(F)cccc2F)o1 36929589 VJYUXMGKZCVYBO-UHFFFAOYSA-N 209.195 2.684 0 40 BFAB CCCCOc1ccc(F)cc1C(=O)O 37235155 LXBUOGRMCJLTMH-UHFFFAOYSA-N 212.220 2.703 0 40 BFAB O=C(NCc1cccc(O)c1)Nc1ccccc1 38032331 ZFOAFLVTFFNZKZ-UHFFFAOYSA-N 242.278 2.714 0 40 BFAB OCCCN1CCC[C@@H]1c1ccccc1Cl 52211195 DVPLQDGEOIRHTQ-CYBMUJFWSA-N 239.746 2.859 0 40 BFAB Cc1nn(C)c(C)c1[C@H](C)NCc1ccsc1 63152574 SHDYRCCXWHGVRI-VIFPVBQESA-N 249.383 2.949 0 40 BFAB CNc1cc(C)c([C@@H]2CCCCN2C)cn1 72219054 LCDOBOOQBQQVBE-LBPRGKRZSA-N 219.332 2.589 0 40 BFAB CC[C@H]1CN(c2nc3ccccc3s2)CCO1 75667507 HJINJFKHVPDRMH-JTQLQIEISA-N 248.351 2.912 0 40 BFAB CCCCC(=O)N[C@H]1CCC[C@H]1SCC 79000999 HZLDLDHVDWJODZ-WDEREUQCSA-N 229.389 2.967 0 40 BFAB Cc1cc2c(o1)C[C@H](C(F)(F)F)C[C@H]2O 85399180 HIAANWKGTVOURW-HTRCEHHLSA-N 220.190 2.746 0 40 BFAB CC(C)c1nsc(N2C[C@H]3CCC[C@@H]3C2)n1 89893694 HXLPXGKROWDMMH-NXEZZACHSA-N 237.372 2.898 0 40 BFAB Cc1sc(NC(N)=O)nc1Cc1ccccc1 95404001 DNOOFUGUMXLERX-UHFFFAOYSA-N 247.323 2.533 0 40 BFAB COc1cc2ccncc2cc1OCCSC 97378076 RMVQRIHBYMZNRK-UHFFFAOYSA-N 249.335 2.985 0 40 BFAB Cc1cc(OCc2ccc(F)cc2)ncn1 98175273 OLUUOGBCALCHEQ-UHFFFAOYSA-N 218.231 2.503 0 40 BFAB N[C@@H]1C[C@H]1c1ccc(-c2cccc(O)c2)cc1 103229022 DSOJSZXQRJGBCW-LSDHHAIUSA-N 225.291 2.874 0 40 BFAB CCCC(=O)CC(=O)c1ccc(C)s1 104716599 FWRLBFPZMPFZHF-UHFFFAOYSA-N 210.298 2.999 0 40 BFAB CC(=O)c1cc(F)c(F)cc1OC(C)C 107394276 STROQZGXXQOREL-UHFFFAOYSA-N 214.211 2.955 0 40 BFAB O=C1c2ccc(Cl)cc2O[C@@H]1Br 135899900 JOZZDHJNQYYDRG-QMMMGPOBSA-N 247.475 2.636 0 40 BFAB CCOc1ncnc2c1oc1ccccc12 196103023 BXWDDKKBLHURKH-UHFFFAOYSA-N 214.224 2.775 0 40 BFAB Cc1cc(C)cc(N2CCN[C@H]3CCC[C@@H]32)c1 225717744 AUIDVXAAFPXFDS-GJZGRUSLSA-N 230.355 2.634 0 40 BFAB Cc1ccnc(Nc2ccc3c(c2)OCCO3)c1 228950895 SFPDEHJYXPUGBP-UHFFFAOYSA-N 242.278 2.905 0 40 BFAB c1ccc(CN2[C@H]3CC[C@H]2c2cn[nH]c2C3)cc1 253588574 IOCBRZYCDNTMQH-WFASDCNBSA-N 239.322 2.672 0 40 BFAB CCCCC(=O)c1cccc(OC(C)=O)c1 390613709 CEXBYWCNTCSIOO-UHFFFAOYSA-N 220.268 2.985 0 40 BFAB Nc1ccc(C=Cc2cccc(C(=O)O)n2)cc1 1911918234 QASPDWZDKLUOPO-UHFFFAOYSA-N 240.262 2.532 0 40 BFAB COc1cccc(-c2nnc3n2CCCCC3)c1 947050 UUQOVKHXRMYKDO-UHFFFAOYSA-N 243.310 2.680 0 40 BFAB CC1(C)[C@H]2CC[C@]1(C)c1n[nH]c(=S)nc12 1668798 UJACBIJGKMHVFB-UPONEAKYSA-N 221.329 2.709 0 40 BFAB OCCCOc1cccc2ccccc12 1719122 VYNCQICJXQWJRR-UHFFFAOYSA-N 202.253 2.601 0 40 BFAB in-vitro CC(C)(C)c1ccc(O)c(/C=C/C(=O)O)c1 2504903 FXGBXBCLQKDASS-QPJJXVBHSA-N 220.268 2.788 0 40 BFAB C[C@@H]1CCCCN1c1ccccc1CN 2538840 NADCYVQOPOFMSQ-LLVKDONJSA-N 204.317 2.524 0 40 BFAB c1ccc(Nc2n[nH]nc2-c2ccccn2)cc1 3844432 ULZOHRONNQWQLF-UHFFFAOYSA-N 237.266 2.610 0 40 BFAB O=S1(=O)[C@@H]2C=CC[C@H]1[C@H](c1ccccc1)CC2 5722025 CITXMVBBXASIOV-RDBSUJKOSA-N 248.347 2.676 0 40 BFAB Cc1cccc(C(=S)N2C[C@H](C)O[C@H](C)C2)c1 13547751 SCPFZKHAHMNNLP-TXEJJXNPSA-N 249.379 2.780 0 40 BFAB CC[C@H](C)NC(=O)Cc1ccc(C)c(C)c1 13682757 DYTWSRLNHQDHMH-LBPRGKRZSA-N 219.328 2.761 0 40 BFAB COc1c(C)cccc1C(=O)Nc1cccnc1 14257980 JKRVNVRYDNVCAE-UHFFFAOYSA-N 242.278 2.651 0 40 BFAB CC(=O)c1cnn(-c2ccccc2C)c1C 20216597 PKVKQAXHSYPTFR-UHFFFAOYSA-N 214.268 2.692 0 40 BFAB CCOC(=O)/C=C/c1ccc(S)cc1 22059032 VOHJDLLHNAYVJW-VMPITWQZSA-N 208.282 2.552 0 40 BFAB in-vitro Cc1cc(C(=O)NCCC2=CCCCC2)on1 25717041 OTCOXAANNDZMQP-UHFFFAOYSA-N 234.299 2.603 0 40 BFAB O=C1CC2CC(=O)CC(C1)c1ccccc12 32250130 CMEXKOBQJDRDQA-UHFFFAOYSA-N 214.264 2.580 0 40 BFAB C[C@@H](c1cccc(-c2cnccc2N)c1)N(C)C 32541612 XLTXNWLSYMXHHS-NSHDSACASA-N 241.338 2.953 0 40 BFAB COc1ccc(-c2csc(C)n2)cc1N 36238260 WRDDOQBOXCIFBZ-UHFFFAOYSA-N 220.297 2.709 0 40 BFAB CC(C)NC(=O)C1(c2ccc(F)cc2)CCC1 41510453 QMMKMOGZKQUHMM-UHFFFAOYSA-N 235.302 2.772 0 40 BFAB Clc1ccc(OC2CNC2)c2ccccc12 42770033 SLOCIMAFVSXUAC-UHFFFAOYSA-N 233.698 2.844 0 40 BFAB Cc1cc(OC2CNC2)c(Cl)c(C)c1Cl 42770078 RSHOQUOVTPRJNM-UHFFFAOYSA-N 246.137 2.961 0 40 BFAB CCOC(=O)c1ncoc1-c1ccc(F)cc1 43304263 PFTXDVDQXHOLAW-UHFFFAOYSA-N 235.214 2.657 0 40 BFAB Cc1csc(C(=O)c2ccc(F)cc2)n1 48252173 GGRLWHCLYNCIHQ-UHFFFAOYSA-N 221.256 2.822 0 40 BFAB CCOc1ccc(N[C@@H](C)c2nc(C)no2)cc1 69877985 BJULZTXXJGOPQO-VIFPVBQESA-N 247.298 2.950 0 40 BFAB CCO[C@H]1CCCN([C@H]2C=CCCC2)C1 71915708 UPJYFXCFJJMFNO-STQMWFEESA-N 209.333 2.596 0 40 BFAB O=C(O)[C@@]1(c2ccccc2)CCCCS1 72220161 BENVMOKTJVRBBQ-LBPRGKRZSA-N 222.309 2.884 0 40 BFAB Cc1cc([C@@H](N)c2ccccc2)cnc1N(C)C 72222075 IEQMXRQUIDMWQV-AWEZNQCLSA-N 241.338 2.504 0 40 BFAB CN[C@H]1CCc2[nH]c3c(Cl)cccc3c2C1 83723576 AORZXDMPSZAVQH-QMMMGPOBSA-N 234.730 2.898 0 40 BFAB COc1ccc2c(c1OC)CCCN[C@@H]2C(C)C 84576318 ROUQRBQOHFZDCR-CQSZACIVSA-N 249.354 2.937 0 40 BFAB C[C@@H]1CC[C@@H](C)N(C(=O)[C@@H]2CCCS2)C1 95404754 UJJYIJHLRJPAHB-MXWKQRLJSA-N 227.373 2.529 0 40 BFAB COc1ccc(C)cc1Cn1cc(C)cn1 98013749 GMWAISGQUCLQNN-UHFFFAOYSA-N 216.284 2.557 0 40 BFAB CCOc1cccc(C=O)c1Br 113863210 XBOOGQYEYQDAEI-UHFFFAOYSA-N 229.073 2.660 0 40 BFAB in-vitro Cc1cccnc1NCc1cccc2cn[nH]c12 195562779 XEARWBUXNJZNSC-UHFFFAOYSA-N 238.294 2.878 0 40 BFAB CC[C@@H](C)n1ccc(CNCCCOC)c1 223693326 CEAVWHOQTDUOCD-GFCCVEGCSA-N 224.348 2.585 0 40 BFAB CCCCn1c(C)c(CN)c2cc(O)ccc21 223755333 WXMGPDOKAJMFCN-UHFFFAOYSA-N 232.327 2.914 0 40 BFAB O=C1Nc2c(Br)cccc2[C@H]2C[C@H]12 225812425 VJSSNFSNCVUVLJ-RQJHMYQMSA-N 238.084 2.505 0 40 BFAB CC(=O)c1c(Cl)nc2sc(C)cn12 256050825 GQMGKNUNCMQYEK-UHFFFAOYSA-N 214.677 2.560 0 40 BFAB COC(=O)CCCC(=O)c1ccc(C)c(F)c1 575357520 PPIKGJRHUCKVTD-UHFFFAOYSA-N 238.258 2.660 0 40 BFAB c1ccc2c(c1)CCC[C@H]2Oc1cnccn1 585655269 ZQVRHDDSPFEFEV-CYBMUJFWSA-N 226.279 2.933 0 40 BFAB COC(=O)[C@H]1C[C@@H](C(F)(F)F)CC(F)(F)C1 953033706 JLHMDPWEZZKXCT-NTSWFWBYSA-N 246.175 2.773 0 40 BFAB c1ccc([C@@H]2CNc3cccnc3O2)cc1 2362803121 GQMBDQUSADWIFK-LBPRGKRZSA-N 212.252 2.627 0 40 BFAB Cc1ccc(CNCc2ccccc2)o1 378472 MQAGILLNJLJQDK-UHFFFAOYSA-N 201.269 2.878 0 40 BFAB CCSCCOC(C)OCCSCC 1671031 HOPFZFYGGKMLQR-UHFFFAOYSA-N 238.418 2.872 0 40 BFAB O=S1(=O)C(c2ccccc2)=C1c1ccccc1 1702036 FVDCQEMOBAKISG-UHFFFAOYSA-N 242.299 2.941 0 40 BFAB C[C@H](O)CSc1ccc(Cl)cc1 4253666 CHHYHUZLMAKWAS-ZETCQYMHSA-N 202.706 2.813 0 40 BFAB O=C(CCc1cccnc1)Nc1ccccc1F 8071661 USBNYJXWSQKYCF-UHFFFAOYSA-N 244.269 2.792 0 40 BFAB O=C(O)[C@H](c1ccc(O)cc1)C1CCCC1 11919369 NFQLQXJPZLMDAX-LBPRGKRZSA-N 220.268 2.751 0 40 BFAB CCOC(=O)Nc1nc2c(s1)C[C@@H](C)CC2 12505132 FKKYTDRDMJFUKR-ZETCQYMHSA-N 240.328 2.836 0 40 BFAB Cc1cccc2c3c([nH]c12)[C@H](N)CCC3 20217069 YNOFAAWFCCAYLW-LLVKDONJSA-N 200.285 2.812 0 40 BFAB Cc1occc1C(=O)NCCc1cccs1 21556930 IZRUIHXDRVVVKU-UHFFFAOYSA-N 235.308 2.622 0 40 BFAB CN[C@@H](CN1CCCC1)c1ccc(Cl)cc1 22465390 FKLLYUGYCHIPBQ-ZDUSSCGKSA-N 238.762 2.696 0 40 BFAB Cc1ccc2nc([C@H](O)c3ccccc3)[nH]c2c1 26462316 JFCGJONXAJJUDD-CQSZACIVSA-N 238.290 2.953 0 40 BFAB Cc1ccc(S[C@H]2CCCCNC2=O)cc1 28202984 HHTKBDYSUTYPCY-LBPRGKRZSA-N 235.352 2.756 0 40 BFAB CNc1ccc(C(=O)NCc2ccccc2)cc1 28227629 UCMGAIVPHPBBGH-UHFFFAOYSA-N 240.306 2.658 0 40 BFAB COC(=O)[C@H](N)c1ccc(-c2ccccc2)cc1 35629931 DXSRQHCLOHVMKH-CQSZACIVSA-N 241.290 2.526 0 40 BFAB CNCc1ccccc1NC(=O)c1ccccc1 36280487 OFVLUOLVZSRPET-UHFFFAOYSA-N 240.306 2.658 0 40 BFAB CSc1ccc(CN(C)C(=O)C2CC2)cc1 40457440 DYACZWVADSNVLB-UHFFFAOYSA-N 235.352 2.777 0 40 BFAB C[C@@H](c1cccc(Cl)c1)N1CCC(O)CC1 43220475 CMWYRYFCPOOSJX-JTQLQIEISA-N 239.746 2.858 0 40 BFAB C[C@@H]1CCc2nc(Cl)c(C(=O)O)cc2C1 49820285 QOZJTFOGYUSCCF-ZCFIWIBFSA-N 225.675 2.558 0 40 BFAB COc1ccc(C)cc1C[C@H](N)C(C)C 50706597 ILVOXRLJQOYWPZ-LBPRGKRZSA-N 207.317 2.529 0 40 BFAB in-vitro CC[C@@H](C)C(=O)NCCc1ccccc1C 55292679 NZEJTUYSEXHQHD-LLVKDONJSA-N 219.328 2.700 0 40 BFAB Oc1ccc(-n2cc(C(F)(F)F)cn2)cc1 70675427 FIOQNIALDFJUCU-UHFFFAOYSA-N 228.173 2.597 0 40 BFAB C[C@@H](N)c1cn(C)c2cc(Cl)ccc12 71492819 OMCQSAHXFGWBFY-SSDOTTSWSA-N 208.692 2.851 0 40 BFAB COC[C@@H](C)OC(=O)c1ccc(Cl)s1 71905102 UAZCYUNPEAAQAN-ZCFIWIBFSA-N 234.704 2.593 0 40 BFAB CCC(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C 72208686 ULEXMXPJOTZHNL-JTQLQIEISA-N 241.331 2.755 0 40 BFAB in-vitro Cc1cc([C@@H]2CCCCN2C(C)C)cnc1N 72218460 HXEGXQNCRROQMK-ZDUSSCGKSA-N 233.359 2.908 0 40 BFAB Cc1cccc(OCCNCC2CCC2)c1 72226484 VYENRCQTEWIHAT-UHFFFAOYSA-N 219.328 2.764 0 40 BFAB Cc1cccc(C)c1Nc1noc2c1CNCC2 72345710 FNEWZKWCGBAAKR-UHFFFAOYSA-N 243.310 2.681 0 40 BFAB CC(C)(C)OC(=O)N1C(=O)C[C@@H]1c1ccccc1 72481904 VIDZRGGALVURAK-LLVKDONJSA-N 247.294 2.895 0 40 BFAB CN(C)c1cccc(F)c1Br 75842493 VPXAOLPZTJIIFT-UHFFFAOYSA-N 218.069 2.654 0 40 BFAB O=C(O)[C@H]1CCC[C@H]1Cc1ccccc1 84325022 HMZNQCDCGOOMDO-RYUDHWBXSA-N 204.269 2.730 0 40 BFAB in-vitro CCN(C)[C@H]1CCCc2nc(C)sc21 89960842 UTPAMPCZUPJVAO-JTQLQIEISA-N 210.346 2.781 0 40 BFAB Fc1ccccc1[C@@H]1CCNCCS1 90397216 HIMXEVGMOSZOIH-NSHDSACASA-N 211.305 2.593 0 40 BFAB O[C@@H](c1cc(F)c(F)c(F)c1)c1ccccn1 95727441 UBZBADAHIOXCMA-LBPRGKRZSA-N 239.196 2.581 0 40 BFAB CCCOc1ccc(CCO)cc1Cl 95732114 KHBKWLVNNSNUAQ-UHFFFAOYSA-N 214.692 2.664 0 40 BFAB CC(C)OC1CCC(Nc2ncccn2)CC1 96483645 JUNGMRGOOPWLEZ-UHFFFAOYSA-N 235.331 2.625 0 40 BFAB N#C[C@@H](Cc1cccc(Cl)c1Cl)C(=O)O 205777806 VPJNFRXTNLNCMR-SSDOTTSWSA-N 244.077 2.760 0 40 BFAB CCCCCNc1ccc(C(=O)NCC)cc1N 213317150 VHUPWKGTXXAZFD-UHFFFAOYSA-N 249.358 2.621 0 40 BFAB C[Si](C)(C)c1cc(Cl)c(F)nc1F 217337136 NMXATZPZTJKGNI-UHFFFAOYSA-N 221.710 2.558 0 40 BFAB Cc1ccc2nc(C)cc(NCCCN)c2c1 222684564 RNQXNZNEDDUDOC-UHFFFAOYSA-N 229.327 2.612 0 40 BFAB CNCc1cccn1[C@H](C)c1ccccc1 223690830 LDZOPBZFPQQJGC-GFCCVEGCSA-N 214.312 2.817 0 40 BFAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](C)N21 260780946 RYDGTFKDYRMSGL-UMNHJUIQSA-N 247.367 2.708 0 40 BFAB Cc1cc(Br)cc(C=NO)c1 382637170 QGFDAQUYCKMJMV-UHFFFAOYSA-N 214.062 2.566 0 40 BFAB O=C(C1CC1)N1[C@H]2CC[C@H]1CC(=C1CC1)C2 618257671 ZUGROEPMSPALAF-STQMWFEESA-N 217.312 2.640 0 40 BFAB O=C(Nc1ccc(Cl)c(F)c1)c1ccno1 1888888192 QZDPATFTMKMOFD-UHFFFAOYSA-N 240.621 2.719 0 40 BFAB C[C@H](O)c1ccc2c(C(=O)O)cccc2c1 2298084945 CCHZDVKPICVJOS-QMMMGPOBSA-N 216.236 2.591 0 40 BFAB CC(=O)O[C@H]1CCCC[C@@H]1n1nc(C)cc1C 553890 OIBGRPDKPXNRMM-STQMWFEESA-N 236.315 2.547 0 40 BFAB CC(=O)Nc1ccc(C)c(OC(F)F)c1 3220761 YWOLWIUDOORQKH-UHFFFAOYSA-N 215.199 2.555 0 40 BFAB CC[C@H](C)C(=O)CN(C)c1ccccc1 5500004 HOTCWQCMZMXZGK-NSHDSACASA-N 205.301 2.738 0 40 BFAB N[C@H]1CCc2c1ccc(Cl)c2Cl 6091786 XERJYFHLXFCWRN-QMMMGPOBSA-N 202.084 2.939 0 40 BFAB in-vitro CCOCCCNC/C=C/c1ccccc1 6536750 AVQKOMUXDDQBMP-UXBLZVDNSA-N 219.328 2.716 0 40 BFAB CN(C)C(=O)c1cc2cc(F)ccc2s1 12904546 UMCGCIVYFVKRMN-UHFFFAOYSA-N 223.272 2.742 0 40 BFAB CN(C)C(=O)c1csc2ccccc12 12909668 ISDUZANRQFOSOL-UHFFFAOYSA-N 205.282 2.603 0 40 BFAB CCN(CC)C(=O)c1cc2ccc(C)cc2[nH]1 12929638 QFIGQSDQSPCCAH-UHFFFAOYSA-N 230.311 2.958 0 40 BFAB Cc1cc(F)ccc1NC(=O)c1noc(C)c1C 13641144 SKDNISIXWFRUBQ-UHFFFAOYSA-N 248.257 2.991 0 40 BFAB Brc1ccc(C2OCCO2)s1 14808163 XBQREIMFJKOHEL-UHFFFAOYSA-N 235.102 2.556 0 40 BFAB S=C(c1cccs1)N1CCCCC1 15782204 JEOFPHBXVCIDFG-UHFFFAOYSA-N 211.355 2.910 0 40 BFAB Cc1c([C@@H](C)N)cnn1-c1ccc(Cl)cc1 20216636 NWBPYHLNSBNFCA-MRVPVSSYSA-N 235.718 2.854 0 40 BFAB in-vitro Cc1nc(-c2cccc(CN)c2)cs1 20440189 FCEHIGQCHAHPFW-UHFFFAOYSA-N 204.298 2.577 0 40 BFAB CCOC(=O)c1ccc([C@@H]2CCC(=O)C2)cc1 22015666 MJHOVEAQNKQHHE-GFCCVEGCSA-N 232.279 2.700 0 40 BFAB COc1ccc2c(C)c(C(C)=O)oc2c1 26513623 ICSNQAOCHLZCKL-UHFFFAOYSA-N 204.225 2.952 0 40 BFAB C[C@@H](NC(=O)c1ccccc1)c1ccccn1 28781106 ORQVRJRSJJITNK-LLVKDONJSA-N 226.279 2.573 0 40 BFAB C[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccccn1 32787670 YDVCNRVXMIOIGS-AAEUAGOBSA-N 232.327 2.732 0 40 BFAB C[C@H](Cc1ccco1)NC(=O)C1CCCCC1 36395888 UBQYJURAICHVPI-LLVKDONJSA-N 235.327 2.907 0 40 BFAB Cc1cc2cccnc2c(Br)n1 40541305 TUCXNLSGLSANSX-UHFFFAOYSA-N 223.073 2.701 0 40 BFAB CN(C)c1ccnc2ccc(Cl)cc12 41479100 VEBMQJNPTBFASR-UHFFFAOYSA-N 206.676 2.954 0 40 BFAB COc1cccc(C(=O)c2cccc(F)c2F)n1 45028753 OFWIHLDRFFWROX-UHFFFAOYSA-N 249.216 2.599 0 40 BFAB C=CC(=O)NCc1ccc(C(C)(C)C)cc1 53313002 BGIXHMJKKCWZNK-UHFFFAOYSA-N 217.312 2.786 0 40 BFAB CC[C@@H]1c2ccsc2CCN1CCOC 53421702 LGTDEFCUQMPUJF-LLVKDONJSA-N 225.357 2.704 0 40 BFAB COc1ccc(C)cc1[C@](C)(O)C(C)C 55261523 CBTWCTJAPDQORT-CYBMUJFWSA-N 208.301 2.867 0 40 BFAB Cc1noc(C)c1CN1CCc2ccccc21 58875100 BRPIUCWCFVDFRS-UHFFFAOYSA-N 228.295 2.854 0 40 BFAB O=C([C@@H]1C[C@@H]1c1cccc(F)c1)N1CCCC1 67125194 HLVOTBBKRZFXBS-CHWSQXEVSA-N 233.286 2.552 0 40 BFAB Cc1cnn([C@@H](C)[C@@H](C)NCc2ccco2)c1 69565201 ZVCJLBKAMKUECD-NEPJUHHUSA-N 233.315 2.524 0 40 BFAB C[C@H]1C[C@H](c2ccc(Br)cc2)CN1 70586667 SHAVEQAQWNRALP-WPRPVWTQSA-N 240.144 2.915 0 40 BFAB CCOc1cccc2cccc(C(=O)O)c12 71256680 DXJSXIVXVHLZJA-UHFFFAOYSA-N 216.236 2.937 0 40 BFAB Cc1cc([C@H]2CCCCN2C(C)C)cnc1N 72218461 HXEGXQNCRROQMK-CYBMUJFWSA-N 233.359 2.908 0 40 BFAB O=C(O)c1ccc(-c2cc3ccccc3[nH]2)[nH]1 74002845 YLNUBLFQPNQWMS-UHFFFAOYSA-N 226.235 2.861 0 40 BFAB CC(C)COc1c(F)cc(C=O)cc1F 84193258 OWNGDQLLCIMUPZ-UHFFFAOYSA-N 214.211 2.812 0 40 BFAB c1csc(CNC[C@@H]2CCCn3ccnc32)c1 84442231 UDZAAECNXZCCLD-NSHDSACASA-N 247.367 2.612 0 40 BFAB Cc1ccc([C@@H]2CC(=O)c3cnoc3C2)s1 95117803 UHRQLWAGKOUROW-MRVPVSSYSA-N 233.292 2.957 0 40 BFAB Fc1cccc(OCCn2ccc(Cl)n2)c1 95941885 OMZRTBKKTKCVFP-UHFFFAOYSA-N 240.665 2.755 0 40 BFAB CC[C@H](NCC(F)(F)F)c1c(C)noc1C 97111152 DTMJHSHVVJGFKG-QMMMGPOBSA-N 236.237 2.894 0 40 BFAB FC(F)c1cc(C(F)(F)F)nc(S)n1 98210517 OEEPGUMJGMGYLL-UHFFFAOYSA-N 230.161 2.722 0 40 BFAB CC1(C)[C@@H]2CC[C@]1(C)C(=O)[C@@H]2C(=O)C(F)(F)F 100041410 ISLOIHOAZDSEAJ-OPVBNTEQSA-N 248.244 2.759 0 40 BFAB in-vitro CCCC1=NN(c2cccc(F)c2)C(=O)C1 100407020 BWKDDNBPNFTEQJ-UHFFFAOYSA-N 220.247 2.719 0 40 BFAB C[C@H](O)CN[C@@H]1C[C@@H](c2ccccc2)C1(C)C 123672089 OKHGITDXBGVGTH-FPMFFAJLSA-N 233.355 2.539 0 40 BFAB CCc1nnc(CN[C@H](C)c2cc(C)oc2C)o1 183775111 BFJRQYWQOFISMU-SECBINFHSA-N 249.314 2.693 0 40 BFAB CC(C)c1nnc(S)n1[C@H]1C[C@H]2C=C[C@@H]1C2 217927474 ZZHGUJIHNDIKSD-AEJSXWLSSA-N 235.356 2.827 0 40 BFAB C[C@H](c1cnn(C)c1)N(C)CCCCCF 225468227 CJABPBQKXVHIPH-LLVKDONJSA-N 227.327 2.553 0 40 BFAB CCC(C)(C)NC(=S)Nc1ccc(C)cn1 225645672 CVKUUOYMEIENIF-UHFFFAOYSA-N 237.372 2.865 0 40 BFAB OCCOc1ccc2c(Cl)csc2c1 228939514 WCURGGMSPHSSFU-UHFFFAOYSA-N 228.700 2.926 0 40 BFAB CCOC(=O)c1cc(Cl)cc(OC)c1 238256744 TXXTXWCWFOQEEF-UHFFFAOYSA-N 214.648 2.525 0 40 BFAB CNc1csc(Cc2ccccc2)n1 238321528 DDHFJVVFRQJUBV-UHFFFAOYSA-N 204.298 2.776 0 40 BFAB Cc1cc(C)cc(Nc2ncc(C)c(O)n2)c1 408976353 AMWPVVRGTBJUOV-UHFFFAOYSA-N 229.283 2.851 0 40 BFAB c1cc2cc(CN3CCCC3)ccc2[nH]1 575606966 QNFQGQILUYTVDR-UHFFFAOYSA-N 200.285 2.764 0 40 BFAB Cc1ncn(-c2ccccc2C(C)C)n1 2362803471 CLNIYNYKHBXWSS-UHFFFAOYSA-N 201.273 2.699 0 40 BFAB Cc1ccc2cccc(OC(=O)N(C)C)c2n1 107094 TZAGLORYJOOAGN-UHFFFAOYSA-N 230.267 2.604 0 40 BFAB CCCCCN(CCO)CCCCC 1632459 UUYOIIPPYGYPJC-UHFFFAOYSA-N 201.354 2.661 0 40 BFAB CCCCCCN1C(=O)C(=O)c2ccccc21 1781476 MPJSZKJLVPUZQF-UHFFFAOYSA-N 231.295 2.796 0 40 BFAB c1ccc2c(CC3CCNCC3)c[nH]c2c1 2026490 HKYWCJOLDLYIOL-UHFFFAOYSA-N 214.312 2.710 0 40 BFAB in-vitro N[C@H]1C[C@@H]1c1cc(Cl)ccc1Cl 3652587 HWVLFVDCULHPCP-APPZFPTMSA-N 202.084 2.808 0 40 BFAB O=C(O)c1ccc2c(c1)-c1ccccc1C2 4219067 WYRSPZVTTMUNBL-UHFFFAOYSA-N 210.232 2.956 0 40 BFAB CC(=O)N(C)C[C@H]1[C@H](C)C=C(C)C[C@H]1C 4718860 COCCDELCQAVHHZ-WZRBSPASSA-N 209.333 2.703 0 40 BFAB COc1ccc(C[C@H]2CC3CCN2CC3)cc1 5164263 DDJNBDMDELMOTG-AWEZNQCLSA-N 231.339 2.722 0 40 BFAB CC(C)CNC(=O)C12CC3CC(CC(C3)C1)C2 5613875 YSNOGJIHBNYKQS-UHFFFAOYSA-N 235.371 2.975 0 40 BFAB Cc1cc(C)c2cc(C(=O)N(C)C)[nH]c2c1C 12943670 FBLQGANWFBNPSZ-UHFFFAOYSA-N 230.311 2.795 0 40 BFAB C[C@@H](N)c1ccc(OCC2CC2)c(F)c1 19873041 CCNWTEVVKOBOCR-MRVPVSSYSA-N 209.264 2.634 0 40 BFAB in-vitro COC(=O)CCCCCCCC[C@@H](O)CF 36467880 BLRWNMAXNVOGQH-LLVKDONJSA-N 234.311 2.611 0 40 BFAB O=C(O)c1ccc(-c2ccc(F)cc2F)o1 36929531 JYALWXRVPHDFIX-UHFFFAOYSA-N 224.162 2.923 0 40 BFAB N[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl 37381623 UDMYMDZSOYJSPZ-APPZFPTMSA-N 202.084 2.808 0 40 BFAB CCCCC(=O)c1ccccc1OC(C)=O 39641991 HURFBFPPBPOMST-UHFFFAOYSA-N 220.268 2.985 0 40 BFAB CCN(C(=O)Nc1cccc(OC)c1)C1CC1 40498767 FDNDUYNIQMUDMH-UHFFFAOYSA-N 234.299 2.711 0 40 BFAB CCCCn1cc(C=O)c(-c2ccccn2)n1 40930401 ZGHCMMAUJAPIRC-UHFFFAOYSA-N 229.283 2.558 0 40 BFAB CCCCCNc1ccc(C(=O)OC)cc1N 41080710 DAFPFMJJRAFOKN-UHFFFAOYSA-N 236.315 2.658 0 40 BFAB Fc1cc(F)cc(C[C@H]2CCCNC2)c1 41225452 JGJRIZLTJLRMOO-SECBINFHSA-N 211.255 2.507 0 40 BFAB in-vitro Nc1ccnc(Oc2ccc(F)cc2F)c1 43569354 NDSYIIRNBCKRPQ-UHFFFAOYSA-N 222.194 2.734 0 40 BFAB in-vitro CCCNC(=O)NCCC1=CCCCC1 57580854 NKILUFRNQCYPED-UHFFFAOYSA-N 210.321 2.586 0 40 BFAB CCCC(=O)Nc1cnc(-c2ccccc2)nc1 70248209 PELNFSZSCWTHAH-UHFFFAOYSA-N 241.294 2.882 0 40 BFAB COc1ccc([C@@H]2OC(=O)c3ccccc32)cc1 70453592 NOAMEKHNBPDNLP-AWEZNQCLSA-N 240.258 2.955 0 40 BFAB C/C=C/CSCc1cccc(C(=O)NC)c1 72998664 NJWSVLLRTJVIJZ-ONEGZZNKSA-N 235.352 2.856 0 40 BFAB Cc1nc2ccc(NC(=O)N3CCCC3)cc2o1 78261702 WHIPGVWNFIBDPC-UHFFFAOYSA-N 245.282 2.764 0 40 BFAB c1cc(-c2cn[nH]c2)ccc1OC[C@H]1CCCO1 85393950 XMXIDMMDJVXZPM-CQSZACIVSA-N 244.294 2.635 0 40 BFAB CCOc1cc(N)cc(C(F)(F)F)c1 95095454 XFEACCJUEVBNMH-UHFFFAOYSA-N 205.179 2.686 0 40 BFAB in-vitro CCSCC[C@@H](C)NC(=O)C[C@@H]1C=CCC1 96433056 FLDPAJHHNSCHFE-VXGBXAGGSA-N 241.400 2.991 0 40 BFAB CC(=O)N1CC[C@H](c2cc(C)cc(C)c2)C1 97372168 VVAAUXMUQTYKCB-ZDUSSCGKSA-N 217.312 2.639 0 40 BFAB O=C([CH-]C(=O)c1ccccc1)c1ccccc1 100029635 NZXHRHATECOPAO-UHFFFAOYSA-N 223.251 2.956 0 40 BFAB CCc1ccc(C(=O)CC(=O)C(F)F)cc1 100497217 NZKGGXZCRXAKHD-UHFFFAOYSA-N 226.222 2.656 0 40 BFAB CCCCCNC(=S)Nc1ccncc1 225178600 CWBUKGCWBAZFIC-UHFFFAOYSA-N 223.345 2.558 0 40 BFAB COc1ccc(/C=C/C(=O)N[C@@H](C)C(C)C)cc1 225184538 TWOVPNZQDAXGTR-PMDBQALLSA-N 247.338 2.869 0 40 BFAB O=C1Nc2c(Br)cccc2[C@@H]2C[C@@H]12 225812364 VJSSNFSNCVUVLJ-NKWVEPMBSA-N 238.084 2.505 0 40 BFAB COc1ccc([C@H](O)c2ccc(C)c(N)c2)cc1 226292058 FXYFOZZGDIITLN-HNNXBMFYSA-N 243.306 2.668 0 40 BFAB NC1(c2ccc(F)cc2Br)CCC1 238565845 ZWYZKPQFWCHNLA-UHFFFAOYSA-N 244.107 2.926 0 40 BFAB FC1(F)CCN(c2nc3ccccc3o2)C1 335016144 FIRLVIPXSMNZCA-UHFFFAOYSA-N 224.210 2.673 0 40 BFAB CC(C)(C)c1ccc2c(CCN)c[nH]c2c1 408712442 DZXYJCQNRKVJPI-UHFFFAOYSA-N 216.328 2.967 0 40 BFAB Cc1nnc(OCC(F)F)c2ccccc12 585652902 YPZBZMZJNKAIIU-UHFFFAOYSA-N 224.210 2.582 0 40 BFAB Cc1cc(Sc2ccccn2)nc(C)n1 1565519512 QVCZOLQMRCXCQS-UHFFFAOYSA-N 217.297 2.640 0 40 BFAB Cn1c(-c2ccccc2)nc2ccccc2c1=O 1566383 FPQXJSZKSFDUFR-UHFFFAOYSA-N 236.274 2.601 0 40 BFAB O=C(O)[C@@H](C1=CCCCC1)C1(O)CCCCC1 1593079 NDYUWSMIBKIIDE-GFCCVEGCSA-N 238.327 2.883 0 40 BFAB CC(C)N1c2ccc(C=O)cc2C[C@@H]1C 4998657 NCDYVZCIBMESRD-JTQLQIEISA-N 203.285 2.659 0 40 BFAB Cc1cccc(C(=S)N2C[C@H](C)O[C@@H](C)C2)c1 9188985 SCPFZKHAHMNNLP-RYUDHWBXSA-N 249.379 2.780 0 40 BFAB Cc1cc(C)cc(NC(=O)[C@H](C)n2cccn2)c1 12875835 UBMQXCMXASKVQQ-LBPRGKRZSA-N 243.310 2.700 0 40 BFAB C[C@H]1C[C@H]1C(=O)Nc1nc2ccccc2s1 12921730 FHJQNQMNXFCJJM-JGVFFNPUSA-N 232.308 2.891 0 40 BFAB CC(C)c1nnc(NC(=O)c2ccco2)s1 18066474 HZLAEUNOAICPNN-UHFFFAOYSA-N 237.284 2.507 0 40 BFAB CN(c1ccc(C(=N)N)cc1)C1CCCCC1 19865857 PMDDDJVGEQPNIV-UHFFFAOYSA-N 231.343 2.740 0 40 BFAB in-vitro Cc1ccc(C)n1Cc1ccccc1C(=O)O 20447562 KMTXUMYZCRAXBL-UHFFFAOYSA-N 229.279 2.851 0 40 BFAB CC(C)(C)C(=O)Nc1ccc2[nH]ncc2c1 20495795 RUEJEXLBLIYXOT-UHFFFAOYSA-N 217.272 2.548 0 40 BFAB Nc1ccc(SCCO)c(Cl)c1Cl 22124701 NXGSXWOEIXERLJ-UHFFFAOYSA-N 238.139 2.660 0 40 BFAB O[C@H]1CCC[C@H]1N1CCC(c2ccccc2)CC1 28233319 ZCHXQEYBMVFQQT-CVEARBPZSA-N 245.366 2.779 0 40 BFAB C[C@@H](N(C)C(=O)c1ccncc1)C(C)(C)C 32788105 OTUMZZSIVCYZQD-SNVBAGLBSA-N 220.316 2.588 0 40 BFAB O=C(NCc1nc2ccccc2s1)C1CCC1 32986093 YTUJSIVPBCDRBS-UHFFFAOYSA-N 246.335 2.713 0 40 BFAB O=CNC1=CC[C@@H](c2ccccc2)CC1 34332249 PDCDNRRTCNPVES-GFCCVEGCSA-N 201.269 2.584 0 40 BFAB in-vitro C[n+]1cccc(-c2nc3cc(Cl)ccc3o2)c1 38987750 WYFJVMQFLQPVCK-UHFFFAOYSA-N 245.689 2.973 0 40 BFAB CCOC(=O)c1ccc(N[C@@H](C)CC)c(N)c1 41079796 XHOJTCQZBRUQRO-VIFPVBQESA-N 236.315 2.656 0 40 BFAB Cc1cnc(NC(=O)N2CCCCCC2)s1 43386088 JZKDORMLKCUVQJ-UHFFFAOYSA-N 239.344 2.859 0 40 BFAB Cc1ccc([C@@H](C)NC(=O)C2CC2)cc1 45174379 OALFUSUSGQENFL-SNVBAGLBSA-N 203.285 2.582 0 40 BFAB Cc1cc(COC(=O)c2ccc(C)c(F)c2)no1 58228408 FEAOZCPGXUYXDQ-UHFFFAOYSA-N 249.241 2.788 0 40 BFAB Cc1cc(CNc2cccc(F)c2F)no1 65207398 STKMJURLWHROLY-UHFFFAOYSA-N 224.210 2.873 0 40 BFAB CC(C)NC(=O)c1cc(-c2cccc(F)c2)no1 65402327 WHZOJSVECXZZCH-UHFFFAOYSA-N 248.257 2.619 0 40 BFAB Cc1cc(CN(C2CC2)[C@H](C)C(C)C)no1 69367765 HHKRTRJDUJFBEX-LLVKDONJSA-N 222.332 2.992 0 40 BFAB CC1(c2nnc(-c3ccccc3)o2)CCOCC1 71889756 CWDSKNUFSNFSJA-UHFFFAOYSA-N 244.294 2.805 0 40 BFAB CCCCCCOc1ccccc1[C@H](O)CN 72220133 QPVBIJJQVIXYQS-CYBMUJFWSA-N 237.343 2.638 0 40 BFAB COC(=O)Cc1ccc([C@@H](OC)C(C)C)cc1 72220181 YLERBEUBICEGGV-AWEZNQCLSA-N 236.311 2.746 0 40 BFAB CCCNc1cc(C)c([C@H](O)CC)cn1 72223209 DCSOBPLFTFJKCV-LLVKDONJSA-N 208.305 2.655 0 40 BFAB Cn1cccc1CNC(=O)CCC1CCCC1 75352191 UPBGLKPJCRJKIA-UHFFFAOYSA-N 234.343 2.612 0 40 BFAB OC[C@H]1CCCN(CC/C=C/c2ccccc2)C1 79438597 BMNZYNIRVJKFRN-UFNQUYMESA-N 245.366 2.794 0 40 BFAB O[C@@H]1CCOc2cc(Cl)cc(Cl)c21 84150742 UECZCGXIKKUAPT-SSDOTTSWSA-N 219.067 2.809 0 40 BFAB in-vitro CCCOc1cc([C@@H](C)O)ccc1OC 95739650 UYOCJHYRHGTPPN-SECBINFHSA-N 210.273 2.537 0 40 BFAB Cc1ccccc1Cn1ccc2occc2c1=O 98009434 SHBHORWOFXFITI-UHFFFAOYSA-N 239.274 2.951 0 40 BFAB C=COCC(F)(F)[C@@H](F)C(F)(F)F 98210628 BSJYZDIFFWAQGW-SCSAIBSYSA-N 208.101 2.682 0 40 BFAB CCCC1=NN(c2ccc(OC)cc2)C(=O)C1 100407026 NSNYQGDWABKNHN-UHFFFAOYSA-N 232.283 2.588 0 40 BFAB NNC(C1CCCCC1)C1CCCCC1 161782849 JAYRZDJWXLKBSQ-UHFFFAOYSA-N 210.365 2.979 0 40 BFAB COc1cc(C(=O)C(F)(F)Cl)ccc1F 308807304 PGGUEVCZXSPNSS-UHFFFAOYSA-N 238.592 2.849 0 40 BFAB COc1ccc(N(C#N)C[C@H]2CCCCO2)cc1 530315710 ROCHVLVCRXVFHG-CQSZACIVSA-N 246.310 2.552 0 40 BFAB C[C@@H]1CC(F)(F)CCN1c1ncncc1Cl 624637607 SFWHRMKSZGHJLB-SSDOTTSWSA-N 247.676 2.754 0 40 BFAB Oc1cncc2ccc(C(F)(F)F)cc12 1857790643 PQRFKSFHENYYCW-UHFFFAOYSA-N 213.158 2.959 0 40 BFAB Cc1c(C)n(CCC(=O)O)c2ccccc12 818928 SWEPFNICPJDRDL-UHFFFAOYSA-N 217.268 2.733 0 40 BFAB Clc1cccc(CSC2=NCCCN2)c1 988336 PYDIOBMPJAFWNA-UHFFFAOYSA-N 240.759 2.923 0 40 BFAB Cc1cc(Nc2cccc(Cl)c2)nc(N)n1 1679313 KHXGRDXFRACHSV-UHFFFAOYSA-N 234.690 2.764 0 40 BFAB O=C(NC=C(Cl)Cl)c1ccccc1 2674915 KPHFIGBUDFKPJW-UHFFFAOYSA-N 216.067 2.693 0 40 BFAB Cc1ccsc1C(=O)Nc1nccs1 3253587 HZAGOXGWDWIBJC-UHFFFAOYSA-N 224.310 2.765 0 40 BFAB Cc1ccc(O[C@H](C)C(=O)NCCC(C)C)cc1 8478581 YCNHPEAENVNIDA-CYBMUJFWSA-N 249.354 2.925 0 40 BFAB CCC[C@H](Nc1ccccc1OCC)C(=O)O 8702794 UTHLZUHYWQVVLR-NSHDSACASA-N 237.299 2.751 0 40 BFAB CCC(CC)NC(=O)c1cc(Cl)c[nH]1 12920390 FEKWKXSMSMVRAJ-UHFFFAOYSA-N 214.696 2.587 0 40 BFAB Cc1ccc(NC(=O)c2ccccc2F)cc1N 19486326 MEEWOIGZWGCMLF-UHFFFAOYSA-N 244.269 2.969 0 40 BFAB CCC[C@@H](N)c1ccc2c(c1)OCCCO2 19968036 WHDFOIPLVKGOCO-LLVKDONJSA-N 221.300 2.648 0 40 BFAB O=C(O)[C@H]1C[C@H]1c1c(F)cccc1Cl 32012992 NVHNBFOVILMVRL-RITPCOANSA-N 214.623 2.667 0 40 BFAB C[C@@H]1CNC[C@@H](c2cccc(C(F)(F)F)c2)O1 36986376 RJEZAXRIVUILRZ-KCJUWKMLSA-N 245.244 2.755 0 40 BFAB in-vitro O[C@H](c1ccc(F)c(F)c1)c1ccco1 40254696 DUFPOKCOSSVQDU-LLVKDONJSA-N 210.179 2.640 0 40 BFAB CCc1ccc([C@@H](O)c2ccoc2)cc1 40255003 SYPQFXGIFNXVGS-CYBMUJFWSA-N 202.253 2.924 0 40 BFAB Cc1ccnn1-c1cccc(Br)c1 44318329 SOKRUOCNOJWGDW-UHFFFAOYSA-N 237.100 2.943 0 40 BFAB in-vitro C[C@@H](NC(=O)OCC(F)(F)F)c1ccco1 44980549 IDUXJFCMFFQLPY-ZCFIWIBFSA-N 237.177 2.629 0 40 BFAB Cc1cc(NC(=O)/C=C/c2ccccc2F)no1 60860281 LVPDBQPUEUUDMX-VOTSOKGWSA-N 246.241 2.774 0 40 BFAB Nc1nc(-c2ccnc3ccccc23)cs1 72207333 SNGHQYLDQXJNTF-UHFFFAOYSA-N 227.292 2.941 0 40 BFAB Cc1cc(CO)cnc1N1CCc2ccccc21 72222892 YMDLSASDNPHUJE-UHFFFAOYSA-N 240.306 2.577 0 40 BFAB c1cc([C@H]2CCCN2C2CCCCC2)n[nH]1 72348435 ULNDKEKWOUVJLM-CYBMUJFWSA-N 219.332 2.879 0 40 BFAB Cc1cc(NC(=O)/C=C/c2ccco2)ccn1 75290327 JKLMVVBUGYLAPO-SNAWJCMRSA-N 228.251 2.635 0 40 BFAB Cc1ccc(O)c(C)c1NC1=NCCCS1 77301144 ZWZCKOLZFUXBBL-UHFFFAOYSA-N 236.340 2.914 0 40 BFAB in-vitro CCC(=O)NC1(c2nc(C)cs2)CCCC1 78673771 UJVWKNHWTVEQQX-UHFFFAOYSA-N 238.356 2.747 0 40 BFAB Cc1nc2ccccc2c(C(=O)NC2CC2)c1C 82264000 ZECVWESNBJZJNW-UHFFFAOYSA-N 240.306 2.744 0 40 BFAB CC(C)n1ccc(CNCc2cccs2)n1 82784184 JJIXMOUYEMDLPQ-UHFFFAOYSA-N 235.356 2.815 0 40 BFAB CSc1c(O)cccc1Br 95722352 QKYLLSYAYMERCZ-UHFFFAOYSA-N 219.103 2.877 0 40 BFAB CCC(O)(CC)c1ccccc1N(C)C 95739413 CZZSLWTWSZUKJQ-UHFFFAOYSA-N 207.317 2.760 0 40 BFAB NCC1CCN(CCCC2CCCC2)CC1 96523639 NNIBXJALSRQASC-UHFFFAOYSA-N 224.392 2.628 0 40 BFAB CCC(CC)C(=O)Nc1ncccc1F 97110804 SPBUVOSIXXOBKO-UHFFFAOYSA-N 210.252 2.595 0 40 BFAB CNC(=O)C12CC3C[C@@](C)(C1)C[C@@](C)(C3)C2 101453139 JUFKSRDPLLSVQS-ATDZDNBSSA-N 221.344 2.729 0 40 BFAB CCc1cnn(-c2ccc(Cl)cc2)c1N 221605220 SKMHTCJMXTYVGL-UHFFFAOYSA-N 221.691 2.670 0 40 BFAB CC[C@H](C(=O)O)N(C)c1ccc(C)c(Cl)c1 224992968 SOWDTSRNUHRISW-LLVKDONJSA-N 241.718 2.948 0 40 BFAB CC1(C)[C@H]2CC[C@]1(C)[C@@](O)(c1ccccc1)[C@@H]2O 225604804 LBJOLABNGPWNAP-LQKXBSAESA-N 246.350 2.691 0 40 BFAB CCCn1ccc(CNCc2ccccc2)n1 256051164 HZXAASHCHXEICO-UHFFFAOYSA-N 229.327 2.583 0 40 BFAB CCOP(=O)(OCC)C(F)(F)C(C)(C)O 306145862 TYDICDOGBPABOF-UHFFFAOYSA-N 246.190 2.616 0 40 BFAB Nc1cc(Cl)c(C=O)c(C(F)(F)F)c1 307534426 PPFDTIKKVNMGRI-UHFFFAOYSA-N 223.581 2.754 0 40 BFAB Cc1cc(-c2ccncc2)n([C@H]2CCSC2)n1 634627439 CNVQQEDXSNSKSZ-LBPRGKRZSA-N 245.351 2.932 0 40 BFAB CC[C@]1(C)Cc2ccccc2C2=[N+]1CCS2 88548 GKLSVZLNNNANJL-CQSZACIVSA-N 232.372 2.917 0 40 BFAB Oc1ccc(O)c(Cc2nc3ccccc3[nH]2)c1 453217 LGDLZQUSAVSGIM-UHFFFAOYSA-N 240.262 2.565 0 40 BFAB O=C(CC(=O)c1ccccn1)c1ccccc1 4430796 YUHLPAVLOLEXJK-UHFFFAOYSA-N 225.247 2.537 0 40 BFAB O=C(NCc1ccco1)c1coc2ccccc12 5051352 ZXNVMMTVEQCTGB-UHFFFAOYSA-N 241.246 2.956 0 40 BFAB CC(=O)[C@H](c1ccccc1)c1ccc(N)cc1 5833442 DCXRRBZGZJVLAV-OAHLLOKOSA-N 225.291 2.990 0 40 BFAB COc1cc(NC(=O)C2CCCC2)cc(OC)c1 6385932 LDWSWYFDKBDTMK-UHFFFAOYSA-N 249.310 2.833 0 40 BFAB Cc1c(C(=O)O)oc2ccc(CN(C)C)cc12 11568569 DYIXEJDDKMYUMI-UHFFFAOYSA-N 233.267 2.501 0 40 BFAB Cc1cc(N)n(-c2nc3ccc(F)cc3s2)n1 17012092 CDXBNEQKXSVVJQ-UHFFFAOYSA-N 248.286 2.512 0 40 BFAB Cc1c(N)cccc1C(=O)N[C@H]1CCCC[C@H]1C 22162989 FPQBTQGTUGVXQU-YGRLFVJLSA-N 246.354 2.886 0 40 BFAB O=C(NCc1cccs1)c1cc(Cl)c[nH]1 23239015 LZWZSPDCRKVCIC-UHFFFAOYSA-N 240.715 2.660 0 40 BFAB C[C@@H](NC(=O)[C@H]1CC=CCC1)c1ccccn1 28780630 FCBQPQAKQOKQMW-NEPJUHHUSA-N 230.311 2.615 0 40 BFAB CCOC(=O)[C@@H]1SCCc2ccccc21 39257007 DSDCRGJRJBOZLB-LLVKDONJSA-N 222.309 2.580 0 40 BFAB Cc1ccncc1C(=O)c1ccc(F)cc1F 45029025 VEXZQIOVEJKKEV-UHFFFAOYSA-N 233.217 2.899 0 40 BFAB NC[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 54586854 HMVDYILQOBDJFR-WCBMZHEXSA-N 215.218 2.768 0 40 BFAB CCC12C[C@@H]3C[C@H](C1)CC(OCCO)(C3)C2 65336749 UREAHLMKOYWUSL-VTXSZYRJSA-N 224.344 2.744 0 40 BFAB CC(C)Oc1ncccc1[C@H]1CCCCN1C=O 72211992 MFWJUSUMVCLWIE-CYBMUJFWSA-N 248.326 2.552 0 40 BFAB CC[C@@H](O)c1cnc(NC(C)C)c(C)c1 72221967 ZBCVSNYKULEWNI-LLVKDONJSA-N 208.305 2.654 0 40 BFAB CC1(C)NCc2cc(Br)ccc21 82360151 YHMRDBKUCIEZKV-UHFFFAOYSA-N 226.117 2.787 0 40 BFAB O=C(O)C1CC(Cc2cccc(Cl)c2)C1 84015873 FTXRBTBPAMLFOX-UHFFFAOYSA-N 224.687 2.993 0 40 BFAB c1ccc(COc2ccc3[nH]ncc3n2)cc1 89219658 RNSDDLWGPHWZHW-UHFFFAOYSA-N 225.251 2.537 0 40 BFAB in-vitro CC(C)CN(CC(C)(C)C)C(=O)c1cc[nH]n1 89840122 FSQBIJACRQOKBX-UHFFFAOYSA-N 237.347 2.554 0 40 BFAB CC(C)c1nc(CSC2CCOCC2)no1 95975020 VYLMYYGUNZWXKD-UHFFFAOYSA-N 242.344 2.605 0 40 BFAB CC[C@H](C)NC(=O)[C@H](C)c1ccccc1 96319169 FVOVRIBKKZMJNZ-WDEREUQCSA-N 205.301 2.705 0 40 BFAB CCCOc1ccccc1C(=O)NCC(C)C 96319245 OIUXBPSIVZFUSP-UHFFFAOYSA-N 235.327 2.861 0 40 BFAB CCOC(=O)c1c(C)oc2ccccc12 136426057 OUASYPVGWOFTIH-UHFFFAOYSA-N 204.225 2.918 0 40 BFAB Nc1ccc(N2Cc3ccccc3C2=O)c(F)c1 256050209 DELMRLNNBQBRJM-UHFFFAOYSA-N 242.253 2.568 0 40 BFAB CC[C@@H](Cl)C(=O)c1ccccc1N(C)C 382696120 KTAJEPPCUOJARH-SNVBAGLBSA-N 225.719 2.953 0 40 BFAB Cc1ncsc1-c1cccc(CN)c1 606277805 OROFSACCUKZUCB-UHFFFAOYSA-N 204.298 2.577 0 40 BFAB Cc1ccccc1-c1cnc([C@@H]2CCCN2)cn1 616575118 GCVRZKOAWZEIEM-ZDUSSCGKSA-N 239.322 2.877 0 40 BFAB FC1(F)CCc2nc3ncccc3cc2C1 2298031359 UITBWDZVKVXYJO-UHFFFAOYSA-N 220.222 2.754 0 40 BFAB C[C@@H](O)CCC(=O)c1nc2ccccc2s1 1609997 YMJPDOZTQBMKOK-MRVPVSSYSA-N 235.308 2.640 0 40 BFAB O=C1CCCSC(=O)N1Cc1ccccc1 1642568 COUXFXBRDLTIDT-UHFFFAOYSA-N 235.308 2.662 0 40 BFAB O=C1O[C@H](c2ccccc2)C[C@@H]1N1CCCCC1 1842994 OTUIWPRWKLUVLB-KBPBESRZSA-N 245.322 2.529 0 40 BFAB CCCCCC(=O)Nc1nnc(CC)s1 2176673 FVBMUEBNYGIITE-UHFFFAOYSA-N 227.333 2.619 0 40 BFAB O=C(O)/C=C(/Br)c1ccccc1 2567041 UPZBDEYHZXRSBQ-SOFGYWHQSA-N 227.057 2.507 0 40 BFAB O=C(O)c1csc(-c2ccsc2)n1 4218334 JZSRMMAFRQYIHP-UHFFFAOYSA-N 211.267 2.570 0 40 BFAB in-vitro Cc1ccc(COC(=O)c2ccccc2N)cc1 6966022 JDQCWFNDBBJYNK-UHFFFAOYSA-N 241.290 2.934 0 40 BFAB CCOc1cc(CNC)cc(Cl)c1OCC 8253862 ZOJZSVZEBLWDNB-UHFFFAOYSA-N 243.734 2.857 0 40 BFAB CC[C@H]1CN(C(=O)Nc2cccc(C)c2)CCO1 12877727 VUAPHXPXRLRITF-ZDUSSCGKSA-N 248.326 2.638 0 40 BFAB Cc1cccc(CCc2cccc(C)n2)n1 13283863 JXFJOEDORIBJTH-UHFFFAOYSA-N 212.296 2.879 0 40 BFAB Cc1ccc(-c2c(C(F)(F)F)n[nH]c2N)cc1 14001494 LTNZDOQBXPXXRV-UHFFFAOYSA-N 241.216 2.986 0 40 BFAB CC[C@H](C)[C@H](N)c1nc2ccccc2[nH]1 19266447 XZPXJYCEDOOLIW-KWQFWETISA-N 203.289 2.609 0 40 BFAB CC[C@@H](C)Nc1cc(OC)cc(OC)c1 19909730 YCLHCNPMUGUYOS-SECBINFHSA-N 209.289 2.914 0 40 BFAB Cc1cnc2c(Br)cccc2n1 32224119 WATGTLVSTVZFNY-UHFFFAOYSA-N 223.073 2.701 0 40 BFAB CO[C@@H](C)c1cccc(-c2cc(C)nc(N)n2)c1 32516085 CTMAXPALPRJMHU-JTQLQIEISA-N 243.310 2.742 0 40 BFAB O=C1COc2ccc(-c3ccccc3)cc2N1 35855350 YPWCRGUKUYPABP-UHFFFAOYSA-N 225.247 2.685 0 40 BFAB N[C@H]1CCCOc2c(Br)cccc21 36926612 BNPKOFKQHFBFJD-VIFPVBQESA-N 242.116 2.622 0 40 BFAB CCC[C@H](C)N[C@@H](C)c1nnc2ccccn12 36968973 HRNJBSYWRUZFSG-QWRGUYRKSA-N 232.331 2.569 0 40 BFAB Cc1cc(C)cc([C@@H](N)c2cccnc2)c1 37746125 GOLWCRATNOFAAK-AWEZNQCLSA-N 212.296 2.747 0 40 BFAB in-vitro CC1=NN=C2C[C@](C)(O)C[C@@H](c3ccccc3)[C@@H]12 39699198 JWURESHMKSCKFL-NWANDNLSSA-N 242.322 2.762 0 40 BFAB CC[C@@H](O)CN[C@@H](C)c1ccc(Cl)s1 42587811 LLDNCHGFLLSEBY-JGVFFNPUSA-N 233.764 2.823 0 40 BFAB C[C@@H]1CN(CCCc2ccccc2)[C@H](C)CO1 45785814 MNZNLVJHYGLODP-ZIAGYGMSSA-N 233.355 2.728 0 40 BFAB CCN(CC)Cc1ccc(/C=C/C(=O)O)cc1 49625870 CYXNSPIICGVVPJ-MDZDMXLPSA-N 233.311 2.626 0 40 BFAB c1ccc2c(CNC3CCCC3)n[nH]c2c1 51666671 CLEDKOKXUCQVDP-UHFFFAOYSA-N 215.300 2.595 0 40 BFAB CC(C)Oc1ccc2c(c1)[C@@H](N)CCC2 54742191 ASSHPXMZCDDEFN-ZDUSSCGKSA-N 205.301 2.810 0 40 BFAB in-vitro CC[C@@H](C)C(=O)N[C@H]1CCOc2ccccc21 57547486 VRZFSVSRERGWKE-PWSUYJOCSA-N 233.311 2.673 0 40 BFAB C[C@H](O)[C@H]1CCCCN1Cc1cccc(F)c1 69703302 LSZUGIDZUKEUDY-SMDDNHRTSA-N 237.318 2.561 0 40 BFAB CNc1cc(C)c([C@H]2CCCN2C(C)C)cn1 72219040 UCVWMICISYHAPJ-CYBMUJFWSA-N 233.359 2.977 0 40 BFAB CCOC(=O)c1coc2cc(F)ccc12 75882431 XJDUTEGNTRIWPL-UHFFFAOYSA-N 208.188 2.749 0 40 BFAB COc1cc2c(c3ccccc13)CCC2=O 77291814 VEKIANJOZLXQKZ-UHFFFAOYSA-N 212.248 2.977 0 40 BFAB in-vitro c1ccc2c(c1)C[C@@H](c1nc(C3CC3)no1)CO2 84579511 VNGRXGVLRVTPNR-LLVKDONJSA-N 242.278 2.666 0 40 BFAB Cc1ncccc1CNc1ccc(F)cn1 95990017 JXJYJIWWXQMWKM-UHFFFAOYSA-N 217.247 2.536 0 40 BFAB COC(=O)C12CC3C[C@H](C1)C(F)(F)[C@H](C3)C2 100079639 IRSQDTPPCWEWKW-VCZAYRLQSA-N 230.254 2.621 0 40 BFAB CCCC(=O)N1C[C@@]2(C)C[C@H]1C(C)(C)C2 100165291 APEQZUHJVORQHD-GWCFXTLKSA-N 209.333 2.824 0 40 BFAB CC(C)[C@H](CF)NC(=O)OC(C)(C)C 142219799 NYIZQMGKPXMKPN-QMMMGPOBSA-N 205.273 2.505 0 40 BFAB O=Cc1ccccc1OCCCCN1CCCC1 217795724 XUYIXNGQEWOKRI-UHFFFAOYSA-N 247.338 2.754 0 40 BFAB Cc1cc(C)cc(N[C@@H]2CCC[C@H]2N)c1 218884268 VZGRKBOUSFKNIP-CHWSQXEVSA-N 204.317 2.595 0 40 BFAB CCNC(=O)c1ccc2nc(Cl)sc2c1 225973413 XANNRHUKODPTLZ-UHFFFAOYSA-N 240.715 2.699 0 40 BFAB CCCc1ccc(CNC2CCCC2)[nH]1 226020576 FWMFWFOKVDDMKC-UHFFFAOYSA-N 206.333 2.999 0 40 BFAB C[C@@H](NN)c1ccc(SC(F)(F)F)cc1 228943820 GOFVBQXASKZVPZ-ZCFIWIBFSA-N 236.262 2.823 0 40 BFAB CCCc1nc(C(F)(F)F)ccc1CN 242473246 FDQNPVGGTCLXRX-UHFFFAOYSA-N 218.222 2.512 0 40 BFAB c1ccc2[nH]c(CN3C[C@H]4CC[C@H]3C4)nc2c1 245560690 MZTBFRACHXJSOD-QWRGUYRKSA-N 227.311 2.547 0 40 BFAB Cc1cn(C)nc1NCc1cccc(F)c1F 256050658 GAEXJIOYMOGKBD-UHFFFAOYSA-N 237.253 2.619 0 40 BFAB COc1cc(C)c(-c2ncc[nH]2)cc1C 649439309 RMFSVSDEOSHCFM-UHFFFAOYSA-N 202.257 2.702 0 40 BFAB CC(C)(C)c1ccc2[nH]cc(CCN)c2c1 17643 IUCZXQIDXFHTHA-UHFFFAOYSA-N 216.328 2.967 0 40 BFAB Cc1ccc(Nc2ncnc(Cl)c2N)cc1 2022012 FBDDGVBGBAHKJJ-UHFFFAOYSA-N 234.690 2.764 0 40 BFAB CCCCCNC(=O)NC1CCCCC1 3162974 ZFJPCBVJMCIWMC-UHFFFAOYSA-N 212.337 2.809 0 40 BFAB CCC(=O)Nc1cc(Cl)cc2nc(C)[nH]c12 5385110 HFFUHDSOWCNVFL-UHFFFAOYSA-N 237.690 2.873 0 40 BFAB CCCC[C@H](CC)C(=O)N1C[C@@H](C)O[C@H](C)C1 5591101 MVHPIEABOOAVTC-UPJWGTAASA-N 241.375 2.839 0 40 BFAB CC(C)c1nc(S)nn1-c1ccccc1 6649954 KISPEEHXDREFHE-UHFFFAOYSA-N 219.313 2.679 0 40 BFAB in-vitro Nc1ccc(NC(=O)c2ccccc2Cl)nc1 13998086 FYEBOABIXHQBPS-UHFFFAOYSA-N 247.685 2.570 0 40 BFAB C[C@H](O)c1cccc(OC(F)(F)F)c1 15442964 BWANKNAGTRWECQ-LURJTMIESA-N 206.163 2.639 0 40 BFAB Cc1cnn([C@H]2CCCc3ccccc32)c1N 20578572 PNJFMCIXVQWPBS-ZDUSSCGKSA-N 227.311 2.699 0 40 BFAB in-vitro Cc1ccc(C)c(C(=O)c2ccncc2)c1 22121779 YYYWICLAHBFGNI-UHFFFAOYSA-N 211.264 2.929 0 40 BFAB CCONC(=O)c1cc2ccccc2s1 24982554 VQXHHCONGVEQIE-UHFFFAOYSA-N 221.281 2.583 0 40 BFAB C[C@@H](NC(=O)c1cccs1)c1ccncc1 27405158 MNVBJUZCFHXFDD-SECBINFHSA-N 232.308 2.634 0 40 BFAB O=C(O)/C=C\c1ccc(F)cc1C(F)(F)F 33364689 OREHSCSLACWBTF-RQOWECAXSA-N 234.148 2.942 0 40 BFAB Cc1cc(N[C@@H](C)c2cccnc2)nc(C)n1 37498777 FYZWNHHJAMRWNJ-JTQLQIEISA-N 228.299 2.662 0 40 BFAB CCCNC(=O)c1sc(C(C)C)nc1C 40092989 NSGRGKCBRYMECM-UHFFFAOYSA-N 226.345 2.715 0 40 BFAB O[C@H]1CCc2c(Cl)cc(Cl)cc21 42405533 ZIMJJJUNFVBXJO-VIFPVBQESA-N 203.068 2.973 0 40 BFAB in-vitro COc1ccc(Nc2cncc(Cl)n2)cc1 42784053 LHLZNLVNPFGTJD-UHFFFAOYSA-N 235.674 2.882 0 40 BFAB c1ccc(OCCC[C@H]2CCCNC2)cc1 42784219 CQDUAPWOKYJVMS-CYBMUJFWSA-N 219.328 2.845 0 40 BFAB C[C@@H]1C[C@@H](C)CN(c2ccnc(=S)[nH]2)C1 45918648 KJJQFJCLZZULMT-RKDXNWHRSA-N 223.345 2.621 0 40 BFAB CCOC(=O)c1ccc(F)c(Cl)c1F 47202694 TXNFZPAHEDGQKT-UHFFFAOYSA-N 220.602 2.795 0 40 BFAB O=c1[nH]cc(Cl)cc1-c1ccccc1 47207324 ANKOMKSSHMCFGZ-UHFFFAOYSA-N 205.644 2.695 0 40 BFAB Cc1cccc(NC(=O)c2sc(C)nc2C)n1 48302375 BUHZUIXRCHAUGF-UHFFFAOYSA-N 247.323 2.716 0 40 BFAB Cc1ccc(-c2cncc(F)c2)cc1N 49576604 MBOUVANDJGBIOT-UHFFFAOYSA-N 202.232 2.778 0 40 BFAB in-vitro O[C@@H](Cc1ccc(Cl)cc1)C(F)(F)F 61893936 IYYUIIVBJNRBSG-QMMMGPOBSA-N 224.609 2.806 0 40 BFAB in-vitro N[C@H]1C[C@@H]1c1ccc(-c2cccc(F)c2)o1 70453027 ZTYMDIDOXDVESF-QWRGUYRKSA-N 217.243 2.900 0 40 BFAB OCCCCc1cccc(Br)c1 70769918 RUJHXULZDUAFOT-UHFFFAOYSA-N 229.117 2.764 0 40 BFAB in-vitro CC[C@@H](O)[C@@H]1CCCCN1C(=O)OC(C)(C)C 72208690 TZLDOZMPGLEGAW-WDEREUQCSA-N 243.347 2.547 0 40 BFAB CN1CCCC[C@H]1c1ccc(S)nc1 72217016 ZXENXLROHJDFGG-JTQLQIEISA-N 208.330 2.527 0 40 BFAB Nc1c(Br)cccc1NC1CC1 80441152 AZJIZIHZAQNOTI-UHFFFAOYSA-N 227.105 2.606 0 40 BFAB C[C@@H](N)COCc1ccc(C(C)(C)C)cc1 82538563 ZRBWHEIKLPBAOK-LLVKDONJSA-N 221.344 2.848 0 40 BFAB Cc1ccc2c(c1)C1(CCNCC1)CC2 84770269 WHBSQPNOLQTYLJ-UHFFFAOYSA-N 201.313 2.562 0 40 BFAB NC(=S)Nc1ccc(OC2CCCC2)cc1 85389808 LSBPXFFDWOYZIX-UHFFFAOYSA-N 236.340 2.664 0 40 BFAB C[C@@H]1CCO[C@H](/C=C\c2ccccc2)O1 90399307 LSEPTNAIKXLPFK-RHZMEEDWSA-N 204.269 2.851 0 40 BFAB COc1ccc(-c2ccccn2)cc1F 95728181 SYSGYHFLUREILI-UHFFFAOYSA-N 203.216 2.896 0 40 BFAB Fc1ccc(Cn2ccnc2)cc1Cl 95731879 LNUTTZQZIJVGCC-UHFFFAOYSA-N 210.639 2.724 0 40 BFAB COc1cc(OCC2CC2)cc(OC)c1OC 96009644 VTXMQIUNRDOIOD-UHFFFAOYSA-N 238.283 2.501 0 40 BFAB CC[C@H](SC)C(=O)Nc1ncccc1Cl 97046946 OYESOMVIJFQQST-QMMMGPOBSA-N 244.747 2.815 0 40 BFAB C[C@H]1C[C@@H](NCC(C)(C)CCO)CC[C@H]1C 97379733 PORANGSONGZKAI-AGIUHOORSA-N 227.392 2.809 0 40 BFAB Sc1nccc(-c2c[nH]c3ccccc23)n1 100434888 RCRHHXKZTRLHOX-UHFFFAOYSA-N 227.292 2.914 0 40 BFAB Cc1cccc(NC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)n1 102226602 SWEAFLFZKXMGRE-SDDRHHMPSA-N 228.295 2.541 0 40 BFAB CC(C)Oc1ccccc1-c1n[nH]cc1C=O 106679514 IHDCFJIFBQMHIH-UHFFFAOYSA-N 230.267 2.676 0 40 BFAB Fc1cccc(-c2n[nH]c3c2[C@H]2CC[C@H](C3)N2)c1 110751202 BRQQYIVRYHCCQP-GHMZBOCLSA-N 243.285 2.565 0 40 BFAB CS[C@H]1CCN(C(=O)CC2CCCC2)C1 225614417 QCPGMMJPECADLI-NSHDSACASA-N 227.373 2.531 0 40 BFAB Fc1ccc2[nH]cnc2c1OC(F)(F)F 258329687 BBSCHGWLYGNQPD-UHFFFAOYSA-N 220.125 2.601 0 40 BFAB Cc1ccc2ccnc(NCC3COC3)c2c1 528227589 WYNDSTDVCSGKEE-UHFFFAOYSA-N 228.295 2.602 0 40 BFAB CC(C)Oc1nc2cc(F)ccc2cc1N 685936887 DTRFCCJDRBCYRZ-UHFFFAOYSA-N 220.247 2.743 0 40 BFAB Clc1nc2c(c(C3CCOCC3)n1)CCC2 702607710 CHXOQTKYXCZROZ-UHFFFAOYSA-N 238.718 2.513 0 40 BFAB Cc1ncn(-c2c(Cl)cccc2Cl)n1 2362803690 XZGJAIGJLIXGRW-UHFFFAOYSA-N 228.082 2.883 0 40 BFAB Nc1cccc(-c2nnc(-c3ccco3)o2)c1 176915 YGVQXBVZASITCA-UHFFFAOYSA-N 227.223 2.579 0 40 BFAB COc1ccc2c(c1)C(=O)c1ccccc1C2 1593086 XNWWJPDGBVFOFX-UHFFFAOYSA-N 224.259 2.830 0 40 BFAB Cc1cccc(CC[C@@H](O)CNCC(C)C)c1 1672753 SBYMTCHUBFZZDB-OAHLLOKOSA-N 235.371 2.534 0 40 BFAB CSc1ncc(SC)c(Cl)n1 1685089 DYXWWUJFXWSIMY-UHFFFAOYSA-N 206.723 2.574 0 40 BFAB O=C(O)C1CCC(C(=O)c2ccccc2)CC1 2574534 IQSXTPDJHKVQAF-UHFFFAOYSA-N 232.279 2.760 0 40 BFAB Cc1ccc(CNC(=O)Cc2ccccc2)cc1 2655649 OGIAKMOTGFCFQY-UHFFFAOYSA-N 239.318 2.854 0 40 BFAB O=C(Nc1nnc(C2CC2)s1)C1CCCC1 3552774 AQIUPOIHGNUNFN-UHFFFAOYSA-N 237.328 2.544 0 40 BFAB Cn1c(S)nnc1-c1cc2ccccc2o1 5521268 ZQKYOQNEFBJNDZ-UHFFFAOYSA-N 231.280 2.517 0 40 BFAB CC(=O)c1ccccc1NC(=O)C(C)(C)C 6262510 YGRONORRHYNHJE-UHFFFAOYSA-N 219.284 2.874 0 40 BFAB O=C(N[C@@H]1CCOc2ccccc21)c1ccco1 7214630 UFHZMADLIUQJHE-LLVKDONJSA-N 243.262 2.533 0 40 BFAB Cc1occc1C(=O)Oc1ccc2c(c1)OCO2 7985416 KCJZVYAQACEQRO-UHFFFAOYSA-N 246.218 2.536 0 40 BFAB CC(C)COc1ccc(CCCN)cc1 8728872 SXSOFWKUKGLJPD-UHFFFAOYSA-N 207.317 2.613 0 40 BFAB Oc1cccc(C(=S)NCc2ccccc2)c1 9188090 NUVMLHNHRJVTEN-UHFFFAOYSA-N 243.331 2.858 0 40 BFAB COc1ccc([C@@H](C)CC(=O)O)cc1C 11628752 JWGZHKUHCOWHRW-QMMMGPOBSA-N 208.257 2.582 0 40 BFAB C[C@H](Sc1ccccc1Cl)C(=O)O 11863848 IEIAJSOBRQNLOX-LURJTMIESA-N 216.689 2.905 0 40 BFAB in-vitro O=C(Nc1ccccc1N1CCCC1)C1CC1 12528262 FYZPWJYKLXNYPJ-UHFFFAOYSA-N 230.311 2.635 0 40 BFAB CCOc1ccc([C@@H](C)NC(=O)[C@@H]2C[C@@H]2C)cc1 13329288 UPIVXKPPLYIXHK-MISXGVKJSA-N 247.338 2.919 0 40 BFAB Cc1ccc(C)c2nc3c(cc12)CNC[C@@H](C)O3 19134694 RQISLKDAVVEUGT-LLVKDONJSA-N 242.322 2.722 0 40 BFAB Cc1cccc(C(=O)Nc2ccc(CN)cc2)c1 20224323 UNJWRZSFWKORAL-UHFFFAOYSA-N 240.306 2.706 0 40 BFAB COC(=O)c1ccc(-c2ccc(OC)cc2)o1 21988906 WNXXGCIDLNMBLF-UHFFFAOYSA-N 232.235 2.742 0 40 BFAB O=C(NCC1CC1)c1ccc(Cl)s1 32909793 NQGWGCZKXHTYLJ-UHFFFAOYSA-N 215.705 2.541 0 40 BFAB CN(C)c1ccccc1NC(=O)C1CCCC1 33121910 KNHSKJKEFQIXFH-UHFFFAOYSA-N 232.327 2.881 0 40 BFAB COCC(=O)c1ccc(Cl)c(Cl)c1 36179879 FABCHFMJRKWQAG-UHFFFAOYSA-N 219.067 2.823 0 40 BFAB Cc1noc(CN2CCC[C@H]2c2cccs2)n1 42355921 BZMDKGHYLYJOHY-JTQLQIEISA-N 249.339 2.777 0 40 BFAB COCc1ccc2ccccc2c1C(=O)O 43502616 LEKZLFXSHYHJEM-UHFFFAOYSA-N 216.236 2.684 0 40 BFAB COc1ccc(NC(=O)NCC(C)C)cc1F 48451001 VRADNSGEYUEWHX-UHFFFAOYSA-N 240.278 2.612 0 40 BFAB CCOC(=O)c1sc(-c2ccoc2)nc1C 69811659 ZYTAAVLESQSUEQ-UHFFFAOYSA-N 237.280 2.888 0 40 BFAB CCOc1ccc(CC(=O)O)cc1C(F)(F)F 71867339 WRQKZAJHRRGAJO-UHFFFAOYSA-N 248.200 2.731 0 40 BFAB c1ccc([C@@H]2CCCN2Cc2ccncc2)nc1 72187764 QKAVUAYXHUEGIE-HNNXBMFYSA-N 239.322 2.814 0 40 BFAB Cc1nc(S)ccc1[C@H]1CCCCN1C 72218395 KFTFDPYVFMDQKE-LLVKDONJSA-N 222.357 2.836 0 40 BFAB Cc1cc([C@H](C)N)cnc1OCc1ccccc1 72222390 YNJDILVMHBDQLQ-LBPRGKRZSA-N 242.322 2.989 0 40 BFAB C=Cc1ccc(N2CCN(C(C)C)CC2)nc1C 72224762 DPNQDIWCSPOGET-UHFFFAOYSA-N 245.370 2.563 0 40 BFAB COc1ccc2cc(CO)ccc2c1Cl 72226993 BRVUIUSJAKEVOF-UHFFFAOYSA-N 222.671 2.994 0 40 BFAB CCCC(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 102583169 ZXTNXYYKULGWJB-FIQHERPVSA-N 209.333 2.727 0 40 BFAB N[C@@H]1CCCC[C@@H]1Nc1ccc(F)c(F)c1 218867194 RFOVCRVTQMVCNT-NEPJUHHUSA-N 226.270 2.647 0 40 BFAB CCCNC(=S)Nc1ccc(Cl)c(C)n1 223870042 CPCPKPROPWEXIM-UHFFFAOYSA-N 243.763 2.740 0 40 BFAB CC(C)n1nccc1CNCCc1ccccc1 256055211 ZTHBGDSQQRSFSP-UHFFFAOYSA-N 243.354 2.796 0 40 BFAB CC[C@H](Cl)C(=O)c1ccc(N(C)C)cc1 382676269 RZHNOEHZKBHTED-NSHDSACASA-N 225.719 2.953 0 40 BFAB O=C(c1ccoc1)N1CCC(C2CC2)CC1 646770868 HIRLDTGPLVSURG-UHFFFAOYSA-N 219.284 2.542 0 40 BFAB CCCCO[C@@H](C)OCCOCC(F)(F)F 1083809095 DBBNOYFDZRCVIL-SECBINFHSA-N 244.253 2.745 0 40 BFAB O=C1CCC[C@H](CCc2ccccc2)O1 2028485 AMEMWRWJHRMMAS-GFCCVEGCSA-N 204.269 2.715 0 40 BFAB CC(=O)n1nccc1[C@@H](C)Oc1ccccc1 3016399 WYZYDJRUMCONEN-SNVBAGLBSA-N 230.267 2.683 0 40 BFAB O=N[C@@H]1Nc2c(Cl)cc(Cl)cc2C1=O 4182256 HDJXIKRIECBEEO-QMMMGPOBSA-N 231.038 2.694 0 40 BFAB O=C(O)CCSc1ccc(F)c(F)c1 4207390 OVLZSACZPZEUGH-UHFFFAOYSA-N 218.224 2.532 0 40 BFAB in-vitro Cc1cc(=O)[nH]c(Nc2ccc(Cl)cc2C)n1 5625887 MQAUNNDYVXAKDZ-UHFFFAOYSA-N 249.701 2.784 0 40 BFAB Cc1ccc(NC(=S)NC(C)C)cc1C 6332605 VYZKWAWIGCMWKL-UHFFFAOYSA-N 222.357 2.998 0 40 BFAB O=C(Cc1ccccn1)c1ccc(F)cc1 6403046 HSXYDJFTGOBXIG-UHFFFAOYSA-N 215.227 2.646 0 40 BFAB CCCCC(=O)Nc1cccc(NC(C)=O)c1 6777986 HWHFBYGPJGCAQA-UHFFFAOYSA-N 234.299 2.774 0 40 BFAB CSc1nc(-c2ccccc2Cl)n[nH]1 9198336 WQSLQQQMDAEKGR-UHFFFAOYSA-N 225.704 2.847 0 40 BFAB CCC[C@@]12CCC(=O)N1c1ccccc1N2 9936952 MAWMCMZLVZCDQY-ZDUSSCGKSA-N 216.284 2.735 0 40 BFAB O[C@H](c1ccc(Cl)cc1)c1cccnc1 11535758 CQZLNPXEFGITEZ-GFCCVEGCSA-N 219.671 2.817 0 40 BFAB in-vitro COc1ccc([C@@H](CC(=O)O)C2CC2)cc1C 11628830 REQZEHJNXWOINF-LBPRGKRZSA-N 234.295 2.972 0 40 BFAB Cc1ccc(Cc2cnc(N)s2)cc1F 12480500 ZIQWUWHGNUWGBS-UHFFFAOYSA-N 222.288 2.764 0 40 BFAB in-vitro O=C(c1ccc[nH]1)c1cc2ccccc2o1 12781971 PMZUMUJDARMDRL-UHFFFAOYSA-N 211.220 2.992 0 40 BFAB O=C1Nc2ccccc2[C@@H](c2ccccc2)N1 16478542 GZEHIMQLKAOUAF-CYBMUJFWSA-N 224.263 2.911 0 40 BFAB O=C1Nc2ccccc2N[C@@H]1c1ccccc1 19046375 IURISRNFECQLRH-CYBMUJFWSA-N 224.263 2.792 0 40 BFAB Cc1ccc(C)c(Cc2cnc(N)s2)c1 20284175 TYVJYOCDMLGBLE-UHFFFAOYSA-N 218.325 2.933 0 40 BFAB O=C(O)c1cc(-c2ccncc2)cs1 26459383 CORFNNOZMVWDAI-UHFFFAOYSA-N 205.238 2.508 0 40 BFAB CC(C)(C)C(=O)Nc1cccc2cn[nH]c12 26918692 JCBGVGAHRWZAQC-UHFFFAOYSA-N 217.272 2.548 0 40 BFAB c1ccc(NCc2nc3n(n2)CCCCC3)cc1 28527219 ORVQUDDUNVVKBG-UHFFFAOYSA-N 242.326 2.617 0 40 BFAB CN(C)CSc1nc2ccccc2s1 31703632 SLOMIKLOVPVEAX-UHFFFAOYSA-N 224.354 2.908 0 40 BFAB CCC(CC)NC(=O)c1ccc(C(C)=O)s1 32780792 NTTYPUICGOTZAM-UHFFFAOYSA-N 239.340 2.869 0 40 BFAB Fc1nc(F)c(Cl)c(Cl)c1F 34236873 FFSXMGSDBLBXPC-UHFFFAOYSA-N 201.962 2.806 0 40 BFAB in-vitro CCNCc1ccc(O[C@H](C)CC)c(OC)c1 34816939 JMLDOXSFGWGLCY-LLVKDONJSA-N 237.343 2.982 0 40 BFAB COC(=O)[C@H]1Cc2ccccc2C(C)(C)C1 36449039 SGGXRLXCTLDTGT-NSHDSACASA-N 218.296 2.700 0 40 BFAB CC[C@H]1CCCCN1c1ncccc1C(=O)O 37022194 ILXVQASGYIXMJJ-JTQLQIEISA-N 234.299 2.549 0 40 BFAB CCc1ccc([C@H](O)c2ccoc2)cc1 40255001 SYPQFXGIFNXVGS-ZDUSSCGKSA-N 202.253 2.924 0 40 BFAB CCN(C(=O)c1ccc(C)c(F)c1)C1CC1 40496373 YBZSCDGMNZDNHU-UHFFFAOYSA-N 221.275 2.759 0 40 BFAB CCc1nc(NC(=O)c2ccoc2)sc1C 40539542 RYXOKENLHHCCGF-UHFFFAOYSA-N 236.296 2.859 0 40 BFAB Cc1ccc(-c2nc(C)c(CCO)s2)cc1 41261185 VLRUORCQUFKZCT-UHFFFAOYSA-N 233.336 2.962 0 40 BFAB Cc1cccc(CSCC(=O)N2CCCC2)c1 41365003 NNZAEOLJCSQUOV-UHFFFAOYSA-N 249.379 2.851 0 40 BFAB Brc1cnc(C2CC2)s1 42750193 KLPVDJZMNQSWQE-UHFFFAOYSA-N 204.092 2.783 0 40 BFAB in-vitro Fc1cccc(COCCC2CCNCC2)c1 42771885 TZMIPOAKUPZBIS-UHFFFAOYSA-N 237.318 2.732 0 40 BFAB CCNC(=O)c1[nH]c2ccc(C)cc2c1Cl 48031951 UVBGIIYJTGOWJY-UHFFFAOYSA-N 236.702 2.879 0 40 BFAB CC(C)CC(=O)N(Cc1ccncc1)C1CC1 50821939 IFEVNRDPMMEDEH-UHFFFAOYSA-N 232.327 2.619 0 40 BFAB Cc1cc(C)nc(NC(=O)C2C(C)(C)C2(C)C)n1 71415949 UKBUYDJHVQKXBC-UHFFFAOYSA-N 247.342 2.714 0 40 BFAB COC(=O)[C@H](c1ccccc1O)C1CCCC1 72482069 FAGDYKOFDODHHZ-ZDUSSCGKSA-N 234.295 2.839 0 40 BFAB CC1(C)[C@@H]2CC(CCN3CCOCC3)=C[C@H]1C2 73410638 XCCKSPXZRUJKEI-UONOGXRCSA-N 235.371 2.701 0 40 BFAB C[C@@H](c1ccccc1)n1c(C(=O)O)c[nH]c1=S 75785417 KCWRAMZXSYCRAC-QMMMGPOBSA-N 248.307 2.853 0 40 BFAB Cc1ccc(F)c2c(CC(=O)O)coc12 75882448 ZKWIWULURDVUMF-UHFFFAOYSA-N 208.188 2.507 0 40 BFAB CCNC(=O)N1CC[C@H]1c1ccc(Cl)cc1 80612153 IGPJCAAUSYOGIM-NSHDSACASA-N 238.718 2.816 0 40 BFAB Cn1ccc2c(NC(=O)C3CC3)cccc21 82275661 VUQJYOWUCMSWEX-UHFFFAOYSA-N 214.268 2.527 0 40 BFAB Cc1n[nH]c2cc(Br)cc(F)c12 89197417 GRCZRZKMGJKLAE-UHFFFAOYSA-N 229.052 2.773 0 40 BFAB in-vitro O=C1Nc2cccc(Br)c2[C@@H]2C[C@H]12 91692567 ICSDOBPACXLXLS-RITPCOANSA-N 238.084 2.505 0 40 BFAB C[C@@H](O)c1ccc(OC(F)(F)F)c(F)c1 95740130 DSYXSWQQAWPYHN-RXMQYKEDSA-N 224.153 2.778 0 40 BFAB c1cnc(N[C@@H]2CCOC3(CCCCC3)C2)cn1 95970858 SDJDMBHDEXNYNC-GFCCVEGCSA-N 247.342 2.770 0 40 BFAB C[C@H](CCCO)N[C@H](C)Cc1ccc(F)cc1 97017299 BDXUMXAGHFRTIA-VXGBXAGGSA-N 239.334 2.507 0 40 BFAB C[C@H](NC(=O)c1ccncc1)[C@@H]1C[C@H]2CC[C@H]1C2 102840125 QWPBNHGILXSDPW-IMIFBBOLSA-N 244.338 2.636 0 40 BFAB O=C1c2cccc(F)c2OC[C@@H]1c1cccnc1 103231174 VUOFDHXIEUNPPC-LLVKDONJSA-N 243.237 2.580 0 40 BFAB CCc1ccc(/N=c2/ccccn2C)cc1 104417708 PXCVYWRYGBRWMH-PFONDFGASA-N 212.296 2.820 0 40 BFAB OC1(Cc2cc(F)ccc2Cl)CCOCC1 165976220 AVIIZOYBHSMWNF-UHFFFAOYSA-N 244.693 2.563 0 40 BFAB CCn1cc(OCCSCC(C)C)cn1 193553105 CYZAUUAEUCXHED-UHFFFAOYSA-N 228.361 2.671 0 40 BFAB CCCCCC[C@H](NN)c1ccc(O)cc1 199537257 DHGHABTYWPKXDL-ZDUSSCGKSA-N 222.332 2.867 0 40 BFAB Cc1nc(NC(=S)NC(C)C)ccc1Cl 223873428 RNOKGHWKFYYZIK-UHFFFAOYSA-N 243.763 2.738 0 40 BFAB O=C(O)[C@@H]1C[C@H]1c1cccc(OC(F)(F)F)c1 223881121 IAJXPXIHBVDVAW-DTWKUNHWSA-N 246.184 2.773 0 40 BFAB c1ccc2c(OC[C@H]3CCCO3)ccnc2c1 585652440 ZXZCLCIMLNXVDD-LLVKDONJSA-N 229.279 2.793 0 40 BFAB Cc1ccnc(NC(=O)c2cccs2)c1 51966 XEOAOYBSEQTULG-UHFFFAOYSA-N 218.281 2.704 0 40 BFAB O=c1c2ccccc2cnn1-c1ccc(F)cc1 69787 MMWWEGAXUOCMJA-UHFFFAOYSA-N 240.237 2.525 0 40 BFAB O=c1cc(-c2cccnc2)oc2ccccc12 115155 ACMZJMPKGUUSOJ-UHFFFAOYSA-N 223.231 2.855 0 40 BFAB CC1=CC(C)(C)N(C(N)=S)c2ccccc21 360608 BCCWPLPFRPPUFG-UHFFFAOYSA-N 232.352 2.932 0 40 BFAB C[C@@H]1CC(=O)CC[C@H]1OCc1ccccc1 1616195 VSVQOQRPJLWUPY-BXUZGUMPSA-N 218.296 2.961 0 40 BFAB COc1cc(C)nn1-c1ccc(Cl)cc1 3186090 CPUIYWMFPWOIAQ-UHFFFAOYSA-N 222.675 2.843 0 40 BFAB CCN(CC)Cc1cccc(OC)c1OC 4681798 NEZXDVLMYWZMIG-UHFFFAOYSA-N 223.316 2.546 0 40 BFAB NCc1ccc(-c2cccc(F)c2)cc1 5763112 AKTHGMSYKKYNDW-UHFFFAOYSA-N 201.244 2.951 0 40 BFAB CCc1ccc(NC(=O)c2ccccn2)cc1 8080608 QMFKIUKJDAOHFC-UHFFFAOYSA-N 226.279 2.896 0 40 BFAB CSCCC(=O)Nc1cc(C)cc(C)c1 12852238 DDKDQKWFYAQQID-UHFFFAOYSA-N 223.341 2.995 0 40 BFAB CC[C@@H](C)C(=O)N[C@@H]1CCCc2occc21 12913628 GJDNNABSILAWNY-MWLCHTKSSA-N 221.300 2.819 0 40 BFAB c1ccc2cc(O[C@@H]3CCNC3)ccc2c1 14632265 NHCDFQLVPQHUKV-CQSZACIVSA-N 213.280 2.581 0 40 BFAB C[C@@H]1CC[C@H](O)[C@@]2(C)CC[C@@H](C(C)(C)O)C=C12 15208685 YNBRPGOINKTYTG-ZSEWYUTFSA-N 238.371 2.891 0 40 BFAB biogenic,in-vitro C[C@@H](C(=O)c1ccccc1)[C@H](O)c1ccccn1 15858177 BHXNDOUULLDMJT-NHYWBVRUSA-N 241.290 2.634 0 40 BFAB CC(C)c1ccc(SCC(=N)N)cc1 19848122 AKUVCKNNLMUVHO-UHFFFAOYSA-N 208.330 2.838 0 40 BFAB in-vitro COCCN[C@H](C)c1ccc(OC(C)C)cc1 19881637 JPEYNBQVZUPJBL-GFCCVEGCSA-N 237.343 2.771 0 40 BFAB CC(C)(C)c1ccc(-c2cc(CN)n[nH]2)cc1 20270438 DEIROMCSJBBRSH-UHFFFAOYSA-N 229.327 2.833 0 40 BFAB Cc1ccnc(NC(=O)c2cc(Cl)ccn2)c1 27993862 CMPJCMNAATZJDH-UHFFFAOYSA-N 247.685 2.691 0 40 BFAB C[C@@H]1c2cccn2CCN1C(=O)c1cccs1 29379134 HSINSZYROUQZPO-SNVBAGLBSA-N 246.335 2.767 0 40 BFAB CC(C)N1CC=C(c2ccc(O)cc2)CC1 32851121 QJVBIYYJUFFNML-UHFFFAOYSA-N 217.312 2.890 0 40 BFAB O=C(O)/C=C\c1ccc(F)cc1Br 33373879 KCEJGSKYYLDTNE-RQOWECAXSA-N 245.047 2.686 0 40 BFAB CCCCCCOC(=O)[C@H](N)Cc1ccccc1 33817833 BTJNEJYKDORDPM-CQSZACIVSA-N 249.354 2.680 0 40 BFAB COc1cccc(Nc2ccnc(Cl)n2)c1 40448065 LKXKUDIRTBOIPA-UHFFFAOYSA-N 235.674 2.882 0 40 BFAB CN(Cc1ccsc1)C(=O)CC(F)(F)F 43072905 UVQDPLJWSHQMCV-UHFFFAOYSA-N 237.246 2.659 0 40 BFAB Cc1cccc(C(=O)c2ccccc2F)n1 45028469 MWBGZFAHPHZNHA-UHFFFAOYSA-N 215.227 2.760 0 40 BFAB CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccn(C)n2)C1(C)C 58424048 AQTPEKSWUJLIOI-JQWIXIFHSA-N 247.342 2.597 0 40 BFAB C[C@@H]1CC(=O)Nc2ccc(Br)cc21 59219197 HRDONPIKXJKBQC-ZCFIWIBFSA-N 240.100 2.895 0 40 BFAB CC(C)CC(=O)N1CCC[C@@H](C(F)(F)F)C1 65517346 LAZLACONHHVWMF-SECBINFHSA-N 237.265 2.833 0 40 BFAB COc1ccccc1CN[C@@H]1CCC[C@H](OC)C1 70325365 YUYUDZNEQHPLKH-KGLIPLIRSA-N 249.354 2.742 0 40 BFAB CN(C)[C@@H](CO)c1cccc(Cl)c1Cl 70453282 DIUPWZABFHRIBE-VIFPVBQESA-N 234.126 2.588 0 40 BFAB OC[C@H]1C[C@H]1c1ccc(Br)cc1 70453303 AVYSEWDQKFGYMF-SCZZXKLOSA-N 227.101 2.545 0 40 BFAB c1ccc(Cc2nc3ccncc3[nH]2)cc1 70801606 HRQRBCRHCRDWMJ-UHFFFAOYSA-N 209.252 2.549 0 40 BFAB C[C@H]1CCC[C@H](CNC[C@@H](C)C[C@@H](C)O)C1 92566242 UFEFJKVUUPTTKU-FQUUOJAGSA-N 227.392 2.809 0 40 BFAB CC(=O)N1CCC[C@@H]1c1cc(C)cc(C)c1 95397209 YCNJMCMVEGJRJX-CQSZACIVSA-N 217.312 2.987 0 40 BFAB Cc1ccccc1[C@@H](O)CCC1OCCCO1 95728578 GNIBHKCLCWOUHI-ZDUSSCGKSA-N 236.311 2.572 0 40 BFAB CC[C@@](C)(O)c1cc(F)c(F)c(F)c1 95739041 WDCIYJNSOAKNIQ-SNVBAGLBSA-N 204.191 2.721 0 40 BFAB c1coc(CN(C[C@H]2CCCN2)C2CCCC2)c1 96523683 JRJXADMNCCBORM-CYBMUJFWSA-N 248.370 2.776 0 40 BFAB C[C@H](CSCC(=O)NC1CC1)c1ccccc1 97046912 KEFNPLRUNRCPRJ-LLVKDONJSA-N 249.379 2.802 0 40 BFAB Cc1cc(F)cc(Br)c1O 97437902 CRFKFEAHGVZUFU-UHFFFAOYSA-N 205.026 2.602 0 40 BFAB in-vitro COc1cc(F)ccc1NC(=O)NC(C)(C)C 97473143 RBIYCHGYRJHLFL-UHFFFAOYSA-N 240.278 2.754 0 40 BFAB NCCCc1csc(-c2ccsc2)n1 218330237 OXLCJNRXUCOBHA-UHFFFAOYSA-N 224.354 2.763 0 40 BFAB CCc1ccccc1-n1cccc1CO 223733124 FHPUEYJFCYPMGL-UHFFFAOYSA-N 201.269 2.532 0 40 BFAB CC[C@@H](C(=O)O)N(C)c1c(C)cccc1C 224983283 GMHZEBGHPFKHBO-NSHDSACASA-N 221.300 2.603 0 40 BFAB CC[C@H](C(=O)O)N(CC)c1ccc(F)cc1 224987134 OHLPQXXREIWPGI-LLVKDONJSA-N 225.263 2.515 0 40 BFAB CC[C@@H]1CN(Cc2ccccc2)C[C@]1(C)C(=O)O 307655276 OCPFMYCAURBSJX-HIFRSBDPSA-N 247.338 2.619 0 40 BFAB c1ccc(COc2nc3c(s2)CCCC3)nc1 585651794 HIYMNZINRSJVMY-UHFFFAOYSA-N 246.335 2.996 0 40 BFAB CSc1nc2ccccc2c(=O)n1CC1CC1 824954798 MTUQZSWKCLUFKT-UHFFFAOYSA-N 246.335 2.528 0 40 BFAB OCC1c2ccccc2Oc2ccccc21 133157 XODHGYGQZLHGJZ-UHFFFAOYSA-N 212.248 2.917 0 40 BFAB in-vitro COc1ccc(C(=O)c2ccc(N)cc2)cc1 360233 IZSRTZLNLWGKMS-UHFFFAOYSA-N 227.263 2.508 0 40 BFAB CC(C)(C)N1C(=O)CC(=O)C[C@@H]1c1ccccc1 1402366 VLLWCNTUXHROIS-CYBMUJFWSA-N 245.322 2.718 0 40 BFAB CCOC(=O)c1c(O)ccc2ccccc12 2569610 YVTYFBHVDAEWRC-UHFFFAOYSA-N 216.236 2.722 0 40 BFAB Cc1ccccc1CNCc1ccccn1 4244868 QFQTUZCRVMUDAM-UHFFFAOYSA-N 212.296 2.680 0 40 BFAB in-vitro C[C@H]1CN(C)C(C)(C)C[C@]1(O)c1ccccc1 4743705 SSRPOTWODWIGHO-SWLSCSKDSA-N 233.355 2.624 0 40 BFAB CC(C)Oc1ccc(/C=C\C(=O)O)cc1 8622523 COFJCCOVYSOPKE-YVMONPNESA-N 206.241 2.572 0 40 BFAB CN1c2ccccc2C(=O)N[C@H]1c1ccccc1 8744614 GGASRPKQQISEKD-CQSZACIVSA-N 238.290 2.565 0 40 BFAB COc1ccc(C(=O)c2cccs2)cc1OC 11631554 IDYJAVIOZWGEEJ-UHFFFAOYSA-N 248.303 2.996 0 40 BFAB CC(=O)Nc1ccc(/C=C\c2csnn2)cc1 12495806 MEGIBKVHFNSWOB-DAXSKMNVSA-N 245.307 2.667 0 40 BFAB COc1ccccc1NC(=O)c1cccc(C)n1 12942809 VWRUVHGLIZTFLO-UHFFFAOYSA-N 242.278 2.651 0 40 BFAB CCOP(=O)(Cc1ccccn1)OCC 13209107 LJIHMNONXSBZCU-UHFFFAOYSA-N 229.216 2.848 0 40 BFAB in-vitro Cc1csc(-c2cccc(C=O)c2)n1 20440128 FXLGEJZKQNINNW-UHFFFAOYSA-N 203.266 2.931 0 40 BFAB Nc1c[nH]c2ccc(Br)cc12 21982374 SONHFBNXEWKXMN-UHFFFAOYSA-N 211.062 2.513 0 40 BFAB C[C@@H](NC(=O)c1cccn1C)c1ccc(F)cc1 22968144 YBSXRSHNNBVWSA-SNVBAGLBSA-N 246.285 2.655 0 40 BFAB N=C(N)c1ccc2nc(C(F)(F)F)ccc2c1 26898106 QGKYYDTZILTGON-UHFFFAOYSA-N 239.200 2.538 0 40 BFAB CC(=O)n1c2ccccc2c2cnccc21 34452004 IXSVHKPETGCMQB-UHFFFAOYSA-N 210.236 2.850 0 40 BFAB O=C(Nc1ccn(-c2ccccc2)n1)C1CCC1 40490302 BAUDVOGWLCVNIF-UHFFFAOYSA-N 241.294 2.611 0 40 BFAB O=C(NCc1ccccc1)N1CCCCCC1 41334745 SQAINEUTCWQGBG-UHFFFAOYSA-N 232.327 2.772 0 40 BFAB Cc1ccccc1-c1cnc(C=O)s1 45206032 CQQUNBRXMGAGGJ-UHFFFAOYSA-N 203.266 2.931 0 40 BFAB CC(C)=CCN1CCN(c2ccccc2F)CC1 58044874 ZBBNOOBPJYSVPJ-UHFFFAOYSA-N 248.345 2.914 0 40 BFAB O=C(Nc1ccccc1)c1ccc2cn[nH]c2c1 60393071 IULLIOOHQQYSES-UHFFFAOYSA-N 237.262 2.815 0 40 BFAB CCOc1ccc(CN)cc1C(F)(F)F 70953296 GHCHXTNRZYWWPF-UHFFFAOYSA-N 219.206 2.563 0 40 BFAB Cc1cc(Cl)ncc1[C@@H]1CCCN1C 72217825 XMEROKHPRHKWAH-JTQLQIEISA-N 210.708 2.810 0 40 BFAB CCCNc1ccc([C@H](N)c2ccccc2)cn1 72225227 JIALQHNOQOJFCU-OAHLLOKOSA-N 241.338 2.952 0 40 BFAB O=C(O)c1c[nH]c(=S)n1C1CCCCC1 73999816 WSEGKALTUCSJKG-UHFFFAOYSA-N 226.301 2.749 0 40 BFAB COc1cccc2c(C(F)(F)F)cc(=O)[nH]c12 75895445 KDFGBTUNMHUFHW-UHFFFAOYSA-N 243.184 2.556 0 40 BFAB Cc1ccc(N)c(N2CCC(C)CC2)c1 87149392 GWNPUINMGZFHPW-UHFFFAOYSA-N 204.317 2.814 0 40 BFAB Cc1nc(C)c(C(=O)N2CC[C@H]3CCCC[C@@H]32)o1 89558052 KSPWRNXBSYLLEN-NEPJUHHUSA-N 248.326 2.696 0 40 BFAB O=C1CCCC[C@@H]2NC[C@H](c3ccccc3)[C@H]12 95951748 FBODYRRHMNRLID-IPYPFGDCSA-N 229.323 2.501 0 40 BFAB biogenic COc1c(F)cc(C(=O)C(F)(F)F)cc1F 100800006 PQJGWZNFCVNEAQ-UHFFFAOYSA-N 240.127 2.718 0 40 BFAB CCOC(=O)c1cnc2cc(F)c(F)cc2c1 165757034 MUORDYVVDGVDPO-UHFFFAOYSA-N 237.205 2.690 0 40 BFAB Cc1ccc(F)cc1CNCCC1=CCOCC1 195552888 JJSBSTORYMBKPX-UHFFFAOYSA-N 249.329 2.961 0 40 BFAB Cc1cccn1Cc1cccc(C(=O)O)c1 226032330 HSMPKCDBOVVEGP-UHFFFAOYSA-N 215.252 2.543 0 40 BFAB Brc1ccc2c(n1)[nH]c1ccncc12 584590551 FYFAESRRWBSTMD-UHFFFAOYSA-N 248.083 2.874 0 40 BFAB COc1cccc2c(=O)c(C)c(C3CC3)[nH]c12 685938138 DGYCNBJWJUTGNP-UHFFFAOYSA-N 229.279 2.723 0 40 BFAB CNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 282031 MWEKYCICKUBFGX-LURJTMIESA-N 248.109 2.507 0 40 BFAB C1=CC[C@H](CNCc2ccc3c(c2)OCO3)CC1 795102 NXTXEOBNACNUAG-LBPRGKRZSA-N 245.322 2.861 0 40 BFAB O=C(O)Cc1ccc2c3c([nH]c2c1)CCCC3 865016 LLIRTLPBJAHBHZ-UHFFFAOYSA-N 229.279 2.674 0 40 BFAB Cc1ccc2c(c1)sc1nc(C)cc(=O)n12 1558062 OOUWLEUZCYBWRD-UHFFFAOYSA-N 230.292 2.526 0 40 BFAB NC/C(=C\c1ccccc1O)c1ccccc1 1716698 OEXASDWUWFPIII-GXDHUFHOSA-N 225.291 2.892 0 40 BFAB COc1c(-c2ccccc2)sc2nccc[n+]12 3075777 WRRWFKODGSZKFX-UHFFFAOYSA-N 243.311 2.557 0 40 BFAB CC(=O)Nc1ccc2oc(C(C)C)nc2c1 6774984 OSWFARDZPUJDCE-UHFFFAOYSA-N 218.256 2.910 0 40 BFAB CC[C@H](C)NC(=O)[C@@H](C)Oc1ccc(C)c(C)c1 8049644 DANDDLRGJRTVAQ-QWHCGFSZSA-N 249.354 2.985 0 40 BFAB O[C@H](c1nc2ccccc2s1)C(F)(F)F 8132974 VIIWUYMGSVRMGH-SSDOTTSWSA-N 233.214 2.892 0 40 BFAB Cc1cc(-c2nc(-c3ccccc3C)no2)[nH]n1 8793591 IZEAOJPFGJAOJK-UHFFFAOYSA-N 240.266 2.744 0 40 BFAB Cc1cc2nc([C@H]3CCCNC3)[nH]c2cc1C 13998171 AYHHVJWESHJEPI-NSHDSACASA-N 229.327 2.647 0 40 BFAB CCOC(=O)c1ccc2cc(O)ccc2c1 15441989 WLJMCRWYIXLKQL-UHFFFAOYSA-N 216.236 2.722 0 40 BFAB CC1=NO[C@@H](c2ccccc2)N(C)C1(C)C 19461998 JGDFEAMXFMVVLE-LBPRGKRZSA-N 218.300 2.802 0 40 BFAB CC(C)N(Cc1ccccc1)C[C@H]1CCCN1 20072396 OKQWXJUBSFCXBO-OAHLLOKOSA-N 232.371 2.649 0 40 BFAB COC(=O)c1ccc([C@H](O)c2ccccc2)cc1 21996493 ZNBIZPXNJOMSFQ-CQSZACIVSA-N 242.274 2.555 0 40 BFAB CCCc1noc(-c2ccnc(Cl)c2)n1 22120465 IKFBBJSFDXLQAW-UHFFFAOYSA-N 223.663 2.738 0 40 BFAB N#Cc1nc(-c2ccccc2)oc1NC1CC1 32675043 BMEDZMQKTKDPHS-UHFFFAOYSA-N 225.251 2.788 0 40 BFAB CCOC(=O)c1cccnc1-c1ccccc1 34521421 RQHOSUIKZMCYGD-UHFFFAOYSA-N 227.263 2.925 0 40 BFAB in-vitro C[C@@H](c1ccco1)n1c(N)nc2ccccc21 35739612 BSACQGNGOKGVMJ-VIFPVBQESA-N 227.267 2.821 0 40 BFAB COc1cccc(NC(=S)SC)c1 36644054 XEVGICXUIAKFCX-UHFFFAOYSA-N 213.327 2.755 0 40 BFAB C1C2CC3CC1CC(CNC1CC1)(C2)C3 36923997 QSRYBEBDMAOHLF-UHFFFAOYSA-N 205.345 2.955 0 40 BFAB O=C(O)c1ccnc(NCC2CCCCC2)c1 37250520 QYPYRWIEOXAEHX-UHFFFAOYSA-N 234.299 2.772 0 40 BFAB CC(=O)c1cccc(O[C@H]2CCCCO2)c1 39378113 IOKYUUIONLXUFW-ZDUSSCGKSA-N 220.268 2.795 0 40 BFAB CN(CC(=O)O)c1ccc(Cl)c(Cl)c1 49826101 ACWKJOAUGLZBCQ-UHFFFAOYSA-N 234.082 2.514 0 40 BFAB CCC[n+]1c(N)sc2c(C)cc(C)cc21 61968241 PANNHUVXJNNUOZ-UHFFFAOYSA-O 221.349 2.798 0 40 BFAB CNC[C@@H](OC)c1cc(Cl)ccc1Cl 62711468 YHHBVGNOVDBSPE-SNVBAGLBSA-N 234.126 2.900 0 40 BFAB CC(=O)c1c(Br)ccc(F)c1F 75844352 LPFAUHPMXMEQSR-UHFFFAOYSA-N 235.027 2.930 0 40 BFAB O=Cc1ccc(COC2CCCC2)cc1 84250514 HQYPSRKAHZQSPR-UHFFFAOYSA-N 204.269 2.958 0 40 BFAB COC(=O)c1c[nH]c2cccc(Cl)c12 89203390 FCOPGKVFHCXUKH-UHFFFAOYSA-N 209.632 2.608 0 40 BFAB in-vitro CCS(=O)(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 96510162 MPILENOIGWDAOP-GHMZBOCLSA-N 244.743 2.631 0 40 BFAB Cc1nn(-c2ccc(Cl)cc2)c(O)c1C 100072186 UBYWOWIZWRMSTD-UHFFFAOYSA-N 222.675 2.848 0 40 BFAB O=C(O)/C(S)=C/c1c[nH]c2ccccc12 102075074 ZIBMLXTXNHDVIO-YHYXMXQVSA-N 219.265 2.523 0 40 BFAB CC1(C)[C@@H]2C=C(CCN3CCOCC3)C[C@@H]1C2 103009461 XCCKSPXZRUJKEI-ZIAGYGMSSA-N 235.371 2.701 0 40 BFAB CCNC(=O)[C@@H](CC)Oc1cc(C)ccc1C 113950470 SPSSYSHNNAHQMQ-GFCCVEGCSA-N 235.327 2.597 0 40 BFAB CCOC(=O)c1cc(C)cc(OCC)c1 118463256 UHHDWCFLTNRJHS-UHFFFAOYSA-N 208.257 2.570 0 40 BFAB Cc1cc(NCc2cc(F)cc(F)c2)n(C)n1 161800365 QQRDNCSYVVRXDB-UHFFFAOYSA-N 237.253 2.619 0 40 BFAB Cc1c(N[C@H](C)[C@H]2CCOC2)cccc1N(C)C 195116021 MMXMMIKEZBLJSO-OLZOCXBDSA-N 248.370 2.898 0 40 BFAB O[C@@H]1CCC[C@H]1Nc1ccc2ccccc2n1 195575371 IQAYUXVPACNULT-CHWSQXEVSA-N 228.295 2.560 0 40 BFAB C/C=C(\C)C(=O)Nc1ccc2c(c1)NCCC2 222123690 NKDHWUVYCBFYQA-XCVCLJGOSA-N 230.311 2.949 0 40 BFAB CCCc1ccc(C(=O)OC)n1C(C)C 226026022 SDAVXHRELJDXPU-UHFFFAOYSA-N 209.289 2.808 0 40 BFAB C[C@@H]1OCC[C@@H]1N[C@H]1c2ccccc2C[C@H]1C 245344108 XPFAXHFIVKNXQW-FDRIWYBQSA-N 231.339 2.687 0 40 BFAB COC(=O)CCC(=O)c1ccc(C)cc1Cl 309361245 LKWHNYMOUHBHSW-UHFFFAOYSA-N 240.686 2.784 0 40 BFAB Cc1ccc(C)c(Cn2cc(C3CC3)nn2)c1 585147799 XIOFUVFRAAAXPF-UHFFFAOYSA-N 227.311 2.821 0 40 BFAB OCc1cccc(-c2ccc(F)cc2)c1 1257588 JJAPITJSVHLHNH-UHFFFAOYSA-N 202.228 2.985 0 40 BFAB C[C@@H]1C[C@@H](C)OC(Cc2ccccc2)O1 1628409 ZUSPQJCMNWQMSN-GHMZBOCLSA-N 206.285 2.769 0 40 BFAB O=C1OC2(CCCC2)O[C@H]1c1ccccc1 1687931 ULZDPROZYUPRIV-NSHDSACASA-N 218.252 2.571 0 40 BFAB C[C@@H](CO[C@@H](C)c1ccccc1)OC[C@@H](C)O 4428648 JINFSJZGAKHWFX-AGIUHOORSA-N 238.327 2.550 0 40 BFAB Cc1cc(C)c(N(C)N=O)c(C)c1N(C)N=O 4748112 TWLGFWCWOMFZOJ-UHFFFAOYSA-N 236.275 2.847 0 40 BFAB CC(C)(C)C(=O)COC(=O)c1cccc(F)c1 6558504 ZCIIXTAKQJWFJQ-UHFFFAOYSA-N 238.258 2.598 0 40 BFAB C[C@@H]1CCC[C@@H](C)N1NC(=O)Nc1ccccc1 6851566 KVKGVVPJAWATOO-VXGBXAGGSA-N 247.342 2.986 0 40 BFAB CC[C@@H](C)NCc1ccc(OC)cc1OC 8326004 MTNRVSGVXMTQOC-SNVBAGLBSA-N 223.316 2.592 0 40 BFAB C[C@@H](Cc1c(F)cccc1Cl)C(=O)O 11976576 GSNYSUXEMOLMAP-LURJTMIESA-N 216.639 2.742 0 40 BFAB CNCc1ccc(-c2nccs2)cc1 12370253 YRTNMSLOSGSGPS-UHFFFAOYSA-N 204.298 2.530 0 40 BFAB Nc1ccc(Cl)cc1NC(=O)c1ccco1 12899571 JOEOFLMHVXVMRF-UHFFFAOYSA-N 236.658 2.768 0 40 BFAB Cc1cc(C)nc(NC(=S)NCC(C)C)c1 13837824 ZUAMEIUZGIBJHJ-UHFFFAOYSA-N 237.372 2.641 0 40 BFAB Cc1cc(N)ccc1Oc1cccnc1 14630585 UAQLILFDDXPFIB-UHFFFAOYSA-N 200.241 2.765 0 40 BFAB CCCOc1ccc(C(=O)O)cc1-n1cccc1 15015263 KLEVMZHRJPQGAP-UHFFFAOYSA-N 245.278 2.964 0 40 BFAB COc1cccc([C@H](N)c2cccs2)c1 19842119 PLBFYRQJEVRKKZ-LBPRGKRZSA-N 219.309 2.805 0 40 BFAB N[C@H](COc1ccccc1F)c1ccccc1 22565760 YQMXYMOZEVGKEC-CYBMUJFWSA-N 231.270 2.905 0 40 BFAB in-vitro CCONC(=O)c1cc2c(s1)CCCCC2 22874699 UODUCNMLOHXAGL-UHFFFAOYSA-N 239.340 2.698 0 40 BFAB NCc1ccc(-c2cccc(C(=O)O)c2)cc1 26543703 BTWQAVQYOVBTDD-UHFFFAOYSA-N 227.263 2.511 0 40 BFAB C[C@H]1CCCCN1C(=O)c1ccc(Cl)o1 32727123 AQAJGVYUVGISJX-QMMMGPOBSA-N 227.691 2.948 0 40 BFAB CC(=O)[C@@H](C)n1cnc2cc(C)c(C)cc21 35044964 LEFHSCYKGJALEU-SNVBAGLBSA-N 216.284 2.803 0 40 BFAB CC(C)=CC(=O)NCc1ccc(Cl)s1 36396996 WHYFVMJLOUAIIM-UHFFFAOYSA-N 229.732 2.984 0 40 BFAB Cc1oc2ccncc2c1Br 39075754 HCWFEHLSBIEMIZ-UHFFFAOYSA-N 212.046 2.899 0 40 BFAB CCC(CC)C(=O)N1CCO[C@@H]2CCCC[C@H]21 41194575 YOPFGUNYXPWGOF-CHWSQXEVSA-N 239.359 2.593 0 40 BFAB Cc1ccc(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 44884028 FTSLGXCELCPDCE-RRFJBIMHSA-N 243.350 2.842 0 40 BFAB OCC[C@H]1CCCCN1Cc1cccc(F)c1 49801414 YIWWOPCKECKCRV-CQSZACIVSA-N 237.318 2.563 0 40 BFAB C[C@@]1(c2ccccc2Cl)C[C@H]1C(=O)O 52126842 DTRQTBNNCPNXHA-KWQFWETISA-N 210.660 2.702 0 40 BFAB CC[C@H](CN)Cc1cccc(Br)c1 52947311 MBPLZUDQKMLNDK-VIFPVBQESA-N 242.160 2.977 0 40 BFAB in-vitro O=C(NCc1cc2ccccc2o1)c1ccoc1 57512145 HPXDENHKPXERML-UHFFFAOYSA-N 241.246 2.956 0 40 BFAB Oc1ccc2nc(-c3ccccn3)oc2c1 58007306 YIHDXBMLCDWANM-UHFFFAOYSA-N 212.208 2.595 0 40 BFAB CCc1ccc([C@H](C)NC(=O)C[C@@H](C)OC)cc1 58210423 ADCRDQNJSQIFSC-NEPJUHHUSA-N 249.354 2.851 0 40 BFAB CC1(C)CCc2sc(C(=O)O)cc2C1 70654434 YEOUUQQDPYRPGP-UHFFFAOYSA-N 210.298 2.961 0 40 BFAB in-vitro CCc1nc(C)c(C(=O)NCCC2CC2)s1 81019548 PXMUHOXCSICFCL-UHFFFAOYSA-N 238.356 2.544 0 40 BFAB Fc1cc(F)c(CNc2nncs2)cc1F 83373352 JYFDRWJAJARYRF-UHFFFAOYSA-N 245.229 2.568 0 40 BFAB c1cn2c(n1)[C@@H](CNCc1ccsc1)CCC2 84618516 PAZCNABEWJDGIS-GFCCVEGCSA-N 247.367 2.612 0 40 BFAB O=C(NCCc1ccc[nH]1)c1ccc(Cl)cc1 89767989 LCSRPIKCPGNICN-UHFFFAOYSA-N 248.713 2.641 0 40 BFAB COc1cccc(CNC[C@H]2CCO[C@@H](C)C2)c1 95457722 LVPSHDBNVJBBSE-JSGCOSHPSA-N 249.354 2.600 0 40 BFAB CC[C@H](N)c1ccc(Br)c(F)c1 95675040 LAYZBAKRHAVNAX-VIFPVBQESA-N 232.096 2.998 0 40 BFAB C[C@@H](N)c1ccc(C(F)(F)F)nc1Cl 95715708 VBOBDQRDNMGLBX-SCSAIBSYSA-N 224.613 2.774 0 40 BFAB in-vitro CCOC(=O)CCCOc1cc(F)cc(F)c1 95733838 IDTLXTSPCOPAKQ-UHFFFAOYSA-N 244.237 2.687 0 40 BFAB O=C(O)c1c(F)cc(C(F)(F)F)cc1F 96171645 RYWDDEGVJSAZLQ-UHFFFAOYSA-N 226.100 2.682 0 40 BFAB in-vitro CCS(=O)(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 96510153 OOJNVQMEZFFVKW-QWRGUYRKSA-N 244.743 2.631 0 40 BFAB O[C@@H]1CCC[C@H]1n1ccc2ccccc21 96526878 DYBWYTIGJGHYAD-CHWSQXEVSA-N 201.269 2.727 0 40 BFAB Cc1nccc(Sc2cccs2)n1 97212652 FGPYXCVNEARWJC-UHFFFAOYSA-N 208.311 2.998 0 40 BFAB O=C(O)c1ncc(Cl)c2ccccc12 114520272 DFQMBKQUFZESRL-UHFFFAOYSA-N 207.616 2.586 0 40 BFAB CCO[C@@H](C(=O)O)c1ccccc1Cl 159682744 NPDOXLWKFOPESV-SECBINFHSA-N 214.648 2.502 0 40 BFAB C[Si](C)(C)c1cccc2c1OC(F)(F)O2 195848425 CZTFWGBAYFFJOK-UHFFFAOYSA-N 230.286 2.553 0 40 BFAB CN(C)[Si](C)(C)CCc1ccccc1 198445875 CWXWPIUMYLZIME-UHFFFAOYSA-N 207.393 2.996 0 40 BFAB Cc1c(CN)c2cc(O)ccc2n1C(C)C 223755265 LYSRHOWHWAIPEN-UHFFFAOYSA-N 218.300 2.695 0 40 BFAB CCCCCn1cnc2ccc(N)cc21 223767088 IFCTWFHVNXFRQK-UHFFFAOYSA-N 203.289 2.809 0 40 BFAB Cc1cc2nc(C)n(C(C)C)c2cc1N 223769899 SYGQPQQWURDNGJ-UHFFFAOYSA-N 203.289 2.816 0 40 BFAB CC(C)(N)CCCCCCC(C)(C)N 225750809 BSAVHFDRSJRHJP-UHFFFAOYSA-N 200.370 2.802 0 40 BFAB CC(C)CC(=O)Nc1ccc2nc(N)sc2c1 226308586 DXWVQPPRZYDWNM-UHFFFAOYSA-N 249.339 2.863 0 40 BFAB CCc1cc(N(C)Cc2ccccc2)ncn1 592452909 TWMGWPMJDPRECV-UHFFFAOYSA-N 227.311 2.675 0 40 BFAB Cn1nc(-c2ccc(C=O)o2)cc1C(F)(F)F 1740818979 DJSSUXXLIUEYRT-UHFFFAOYSA-N 244.172 2.511 0 40 BFAB O=C(O)C12CC(c3nc4ccccc4s3)(C1)C2 1772820942 GFXIIYZQWBCXRR-UHFFFAOYSA-N 245.303 2.803 0 40 BFAB COc1cc2c(cc1OC)C(=O)C[C@@H](C)S2 384057 DEWXZFBKYPVHDF-SSDOTTSWSA-N 238.308 2.771 0 40 BFAB CCC(=O)N1[C@@H](Cc2ccccc2)COC1(C)C 386634 IRYHYHQTUGHKKG-ZDUSSCGKSA-N 247.338 2.603 0 40 BFAB C[C@H](SCc1ccccc1)C(=O)NC1CC1 566366 ILEAALLKZCMWCI-JTQLQIEISA-N 235.352 2.587 0 40 BFAB CC(C)(C)C(=O)Nc1cccc2[nH]ncc12 1396325 VUDQSPZHZOBREG-UHFFFAOYSA-N 217.272 2.548 0 40 BFAB CC(C)OCCCNCc1ccc(F)cc1 2598898 LUFDYKILGIUBBK-UHFFFAOYSA-N 225.307 2.730 0 40 BFAB CC(=O)Nc1ccc2c(c1)C(C)(C)[C@H](C)N2C 3164999 BVRISEIGABVOQV-VIFPVBQESA-N 232.327 2.761 0 40 BFAB Cc1ccc(O[C@H](C)C(=O)NCC(C)C)cc1C 8480279 KIGWQHMPIKNBRO-CYBMUJFWSA-N 249.354 2.843 0 40 BFAB CC(C)(C)C(=O)Nc1ccc(Cl)cc1N 8732408 NFBVFSKPCRRAAD-UHFFFAOYSA-N 226.707 2.907 0 40 BFAB CCC(=O)N[C@H](c1ccccc1)c1ccccn1 12527714 KEPLKIXOSIWNLT-OAHLLOKOSA-N 240.306 2.697 0 40 BFAB O=C(NC1CCCC1)c1cccc2ncccc12 14300975 JPRTUBXHPWUAIW-UHFFFAOYSA-N 240.306 2.907 0 40 BFAB Cc1noc(C)c1CNC(C1CC1)C1CC1 20253254 PZNMKPLXJCIVQS-UHFFFAOYSA-N 220.316 2.570 0 40 BFAB CCCCC(=O)[C@@H](CCC)C(=O)OCC 22065614 DUPHRBMRCNWSGR-SNVBAGLBSA-N 214.305 2.725 0 40 BFAB in-vitro COc1cc([C@@H](C)N)ccc1OCC(F)(F)F 22213761 GVWGBJKHORUQNN-SSDOTTSWSA-N 249.232 2.656 0 40 BFAB COc1ccc(Nc2ccnc(Cl)n2)cc1 26898642 SEAAMKRQIGYXRB-UHFFFAOYSA-N 235.674 2.882 0 40 BFAB C1CCC(N2CSCSC2)CC1 31669909 IMZQMVOVWFLUAW-UHFFFAOYSA-N 203.376 2.974 0 40 BFAB Cc1ccc(NC(=O)[C@@H]2C[C@@H]2C)c(F)c1 32960654 UVQQBXXBCAUDRX-DTWKUNHWSA-N 207.248 2.729 0 40 BFAB C[C@@H]1Cc2c(Br)cccc2N1 34415646 RQOFKQBDCQRSSY-ZCFIWIBFSA-N 212.090 2.806 0 40 BFAB CC[C@H](C(=O)Nc1cn[nH]c1)c1ccccc1 35237909 WGYQUVQERWJQEQ-LBPRGKRZSA-N 229.283 2.542 0 40 BFAB CC(C)c1nc2cc(CCC(=O)O)ccc2[nH]1 36197898 XCFGVEWWWGJKLE-UHFFFAOYSA-N 232.283 2.704 0 40 BFAB c1cc(CNc2ncnc3ccsc23)ccn1 37375050 OPYBHEVVOPIYNQ-UHFFFAOYSA-N 242.307 2.698 0 40 BFAB C[C@]1(C(=O)NC2CCCC2)CC1(Cl)Cl 40160893 BYZDQGFSCCPEPU-SECBINFHSA-N 236.142 2.629 0 40 BFAB Cc1cccc(-c2c[nH]c([C@@H]3CCCN3)n2)c1 41089433 VCOFOVDXEMFFKD-LBPRGKRZSA-N 227.311 2.810 0 40 BFAB CCC(C)(C)NC(=O)c1scnc1Cl 47246794 RZNZXQGFYVWICH-UHFFFAOYSA-N 232.736 2.715 0 40 BFAB CC1(C)CCN(c2ccccc2N)CC1 61819219 UFBNYSQNRWLDGA-UHFFFAOYSA-N 204.317 2.895 0 40 BFAB O=C([C@H]1CCCO1)N1CCC[C@]2(CC=CCC2)C1 71907712 NKBUXDBGEDFFBY-UKRRQHHQSA-N 249.354 2.514 0 40 BFAB O=C(c1ccc(-c2ccco2)o1)N1CCCC1 72243295 KSVAGLGBWXNSJH-UHFFFAOYSA-N 231.251 2.776 0 40 BFAB CC(=O)N1CCCCC[C@H]1c1ccco1 76510913 QOYGJLCZJYYQLA-NSHDSACASA-N 207.273 2.743 0 40 BFAB CC[C@@H](N)c1cc(F)cc(Br)c1 84191641 WFGZEDKDVSOQAS-SECBINFHSA-N 232.096 2.998 0 40 BFAB in-vitro Cc1noc2nc(C(C)(C)C)cc(C(=O)O)c12 95095761 ORXUVRDBOBXRHG-UHFFFAOYSA-N 234.255 2.527 0 40 BFAB in-vitro CC[C@@H](COC)N[C@H]1CCc2c(OC)cccc21 95968265 JVZMQVUOHVXRGZ-FZMZJTMJSA-N 249.354 2.697 0 40 BFAB COc1ccc([C@](C)(O)C2CC2)cc1C 96543331 FJCUWGOTDHTANF-CYBMUJFWSA-N 206.285 2.621 0 40 BFAB CN[C@H]1CC[C@H](N(C)Cc2ccccc2)CC1 100178673 NIKPZJGGRIYLMS-GASCZTMLSA-N 232.371 2.649 0 40 BFAB OC[C@]12c3ccccc3[C@H]3c4ccccc4[C@H]1[C@@H]32 100971924 HUSHTEIJWWUKCO-TWMKSMIVSA-N 234.298 2.789 0 40 BFAB CC[C@@H]1NCCc2nc(C(C)C)sc21 218331688 QTENRKKJCYOFSY-QMMMGPOBSA-N 210.346 2.863 0 40 BFAB CCn1ncc(NCc2ccccc2)c1C 256053512 RSPCGFWGKLXKNQ-UHFFFAOYSA-N 215.300 2.824 0 40 BFAB CCN[C@@H](C)Cc1cccc2occc12 299817218 MRILILMKQADCNG-JTQLQIEISA-N 203.285 2.973 0 40 BFAB in-vitro CC(C)(C)c1ccc2c(C=O)c(C(=O)O)[nH]c2c1 408712506 YNXXOEPZWVREBG-UHFFFAOYSA-N 245.278 2.976 0 40 BFAB Cc1cnc(NC2CCCCCC2)nc1O 408981701 WDTYBRKXESWALF-UHFFFAOYSA-N 221.304 2.625 0 40 BFAB CCOC(=O)C[C@@H]1C(=O)CCCc2ccccc21 124684 ZWVINYLQUPOCTD-ZDUSSCGKSA-N 246.306 2.629 0 40 BFAB O=C(Nc1nncs1)c1cc2ccccc2o1 245475 PRHGUEHGWPXDLS-UHFFFAOYSA-N 245.263 2.537 0 40 BFAB COC(=O)c1ccc(NC(C)=O)c2ccccc12 345647 ILMWIDDJOFZNEV-UHFFFAOYSA-N 243.262 2.585 0 40 BFAB CCc1ccc2nc(Cl)c(CO)cc2c1 421636 HDTGEZPGGLRXPY-UHFFFAOYSA-N 221.687 2.943 0 40 BFAB O=C(Nc1ccc(F)c(Cl)c1)C(F)(F)F 3100064 TYJQRSXGWGAIGC-UHFFFAOYSA-N 241.571 2.980 0 40 BFAB biogenic O=C(O)Cc1ccc2c(c1)[nH]c1ccccc12 3359337 XEDSZIKWEGZUTC-UHFFFAOYSA-N 225.247 2.948 0 40 BFAB CSc1ccc(C(F)(F)F)cc1NN 4289469 XNOOSCDTSGLEEG-UHFFFAOYSA-N 222.235 2.713 0 40 BFAB O=C1CSC(Nc2ccc(F)c(Cl)c2)=N1 5375584 SMXMGJDHQCLPRR-UHFFFAOYSA-N 244.678 2.520 0 40 BFAB CC(C)CC(=O)CC(=O)c1ccccc1 5424046 XVTWRQCEQFDSBK-UHFFFAOYSA-N 204.269 2.875 0 40 BFAB C[C@H]1CCC[C@H](NC(=O)c2ccco2)[C@@H]1C 6469098 RZGCUTGKLOKALL-AXFHLTTASA-N 221.300 2.834 0 40 BFAB Cc1ccc(C)c(/C=C2\SC(=O)NC2=O)c1 7154771 XASFGLPKPVHGOH-POHAHGRESA-N 233.292 2.627 0 40 BFAB O=C(O)CCN1CCC[C@@H]1C1CCCCC1 12398697 CTWXGRFRBITCLO-GFCCVEGCSA-N 225.332 2.506 0 40 BFAB Cc1cccc2c1OC(F)(F)C(F)(F)O2 15442382 CMFQGPFMRRJJKW-UHFFFAOYSA-N 222.137 2.952 0 40 BFAB CCC[C@@H](C(=O)O)c1ccc(OC)c(OC)c1 17043806 MLDJDVCULOKBLT-SNVBAGLBSA-N 238.283 2.672 0 40 BFAB CC(=O)Nc1onc(C)c1-c1ccccc1 20636195 KKUKRTJKTMEGQJ-UHFFFAOYSA-N 216.240 2.608 0 40 BFAB COCCSc1nc2cc(F)c(F)cc2[nH]1 24929463 TYMYDEJLVDXNCK-UHFFFAOYSA-N 244.266 2.580 0 40 BFAB Cc1oc(C)c(C(=O)Nc2nccs2)c1C 27474028 SDZKBEGHDOOWQF-UHFFFAOYSA-N 236.296 2.914 0 40 BFAB CCOc1cc(OC)c(Cl)cc1C(C)=O 30769070 CURBSQWAVVJSNI-UHFFFAOYSA-N 228.675 2.950 0 40 BFAB COC(=O)c1cc(C)n(Cc2ccccc2)c1C 33915106 RQFKUSOJIUOMCO-UHFFFAOYSA-N 243.306 2.940 0 40 BFAB O=C(NCCc1ccccc1)[C@@H]1CC=CCC1 36396055 DJKJKKRIRNIZNX-CQSZACIVSA-N 229.323 2.702 0 40 BFAB CCOC(=O)[C@@H](CCCCCCl)C(C)=O 36405788 OPAYJXBCTOCXPN-JTQLQIEISA-N 234.723 2.554 0 40 BFAB CCOC(=O)CSc1ccc(F)c(F)c1 36961416 LANZZGDVTAKMQL-UHFFFAOYSA-N 232.251 2.620 0 40 BFAB Cc1cccc(C(=O)N(C)Cc2ccsc2)n1 40493467 YHYYISSLUDKBSC-UHFFFAOYSA-N 246.335 2.724 0 40 BFAB Cc1cc(N)c(-c2ccc(CO)o2)cc1Cl 40541588 CJDWCPOMJSXPRJ-UHFFFAOYSA-N 237.686 2.983 0 40 BFAB COc1c(N)cc(Br)cc1Cl 66140783 MMZMNJPAMVKSQW-UHFFFAOYSA-N 236.496 2.693 0 40 BFAB CCCN(C)C(=O)N[C@H]1C[C@@H]1c1ccccc1 69104123 RWBDAHYHTPULSN-OLZOCXBDSA-N 232.327 2.594 0 40 BFAB COc1ccc(-c2nsc(N)c2C)cc1 71602683 VAIJKTHAHKDKKB-UHFFFAOYSA-N 220.297 2.709 0 40 BFAB CCCC(=O)N1CCC[C@H](c2cccc(C)n2)C1 72350754 YDTPRHKOVIIYPC-ZDUSSCGKSA-N 246.354 2.896 0 40 BFAB COC(=O)/C=C/c1ccc(C)c(Cl)c1 72739257 QMKJBUCGZTUFOP-AATRIKPKSA-N 210.660 2.835 0 40 BFAB CC(C)C(=O)n1cc(C(=O)O)c2ccccc21 82542716 CNTNJQAYZXKCCR-UHFFFAOYSA-N 231.251 2.636 0 40 BFAB CC[C@H]1CCCCCN1CCCCCO 96417915 ZIWXFLHLNRPVKI-ZDUSSCGKSA-N 213.365 2.804 0 40 BFAB CCN(C)C(=O)c1ccc(SC)cc1 97168710 QKXIHQXCGZBDJS-UHFFFAOYSA-N 209.314 2.500 0 40 BFAB Cc1ocnc1C(=O)O[C@@H]1CC[C@H](C)[C@H](C)C1 153188096 BAIDLEJPJNDPQY-IQJOONFLSA-N 237.299 2.965 0 40 BFAB Fc1cc(C(F)(F)F)c2ocnc2c1 169804948 GYSVRSLPKBCWSY-UHFFFAOYSA-N 205.110 2.986 0 40 BFAB C[C@H](NN)c1ccccc1OCc1ccccc1 199535489 UMPWCRFNOOMVFE-LBPRGKRZSA-N 242.322 2.790 0 40 BFAB CC(C)CO[C@@H](CO)Cc1ccc(Cl)cc1 204759479 YOSPRPJZEFVNFF-CYBMUJFWSA-N 242.746 2.916 0 40 BFAB Cc1ccc(N[C@H]2CCCC[C@H]2N)c(C)c1 218861693 LPIYJBLJVCPZGY-OCCSQVGLSA-N 218.344 2.985 0 40 BFAB CC(C)Cc1ccc(CNC(C)C)n1C 226020073 KLDRFZFOSGWJMG-UHFFFAOYSA-N 208.349 2.722 0 40 BFAB CC1=CCC[C@H](C)[C@@H]1CN[C@@H](C)[C@@H]1CCOC1 252570837 XJZQFBHGFODYRN-BYNSBNAKSA-N 237.387 2.993 0 40 BFAB CCn1ccc(CNc2cn(C(C)C)nc2C)n1 256051781 KLZZNWBIFAHBRH-UHFFFAOYSA-N 247.346 2.601 0 40 BFAB CN(c1nc(C2CC2)ns1)C1CCCC1 336194944 MMXVOLATDVJXFD-UHFFFAOYSA-N 223.345 2.794 0 40 BFAB COc1cc(F)c(F)cc1C(=O)C1CC1 382705848 SROPSEMZAMVQCL-UHFFFAOYSA-N 212.195 2.566 0 40 BFAB Cc1nccc(OCc2sccc2C)n1 585652472 NRKSKJROFXPQQU-UHFFFAOYSA-N 220.297 2.734 0 40 BFAB Cc1nccc(Oc2cccc(F)c2)n1 608014390 MXVQVERBMBFIHN-UHFFFAOYSA-N 204.204 2.716 0 40 BFAB COc1ccc2nc(O)c(CC3CC3)c(O)c2c1 685937195 MLXKIMRJGOLQGW-UHFFFAOYSA-N 245.278 2.607 0 40 BFAB Cn1cc2c(Cl)cc(Br)cc2n1 710681227 RXHVEKGAFDWMHZ-UHFFFAOYSA-N 245.507 2.989 0 40 BFAB CC(C)(C)[C@@H]1COC(c2ccc(Cl)cn2)=N1 1988188015 JFAYSLQIISQWOE-JTQLQIEISA-N 238.718 2.927 0 40 BFAB c1ccc(-c2cnc3ccccc3n2)nc1 40886 IYTQXXKVEMXZQT-UHFFFAOYSA-N 207.236 2.692 0 40 BFAB COc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 75780 YXADNHMHAQGLNJ-RYUDHWBXSA-N 247.338 2.813 0 40 BFAB CC(C)OC(=O)c1cc2ccccc2c(=O)s1 79327 ULRXFROSSPCGDJ-UHFFFAOYSA-N 248.303 2.827 0 40 BFAB Clc1cc(Cl)nc(N2CCCCC2)n1 1634299 VPXXDXQRYCWVSH-UHFFFAOYSA-N 232.114 2.774 0 40 BFAB O=C1CCn2c(nc3cccc4cccc2c43)N1 5581536 QRSYZKHUGDLCAB-UHFFFAOYSA-N 237.262 2.532 0 40 BFAB CCc1ccc2c(c1)[C@H](N)CC(C)(C)O2 11848952 BARMYPFKQXQJLP-LLVKDONJSA-N 205.301 2.810 0 40 BFAB COc1ccc2ncc(COC(C)=O)c(C)c2c1 13213217 BAWBHDJYWYPZQY-UHFFFAOYSA-N 245.278 2.615 0 40 BFAB CCCN[C@H](C)c1ccc(OC)c(F)c1 19428445 DEMVVVMFOFLBDV-SECBINFHSA-N 211.280 2.895 0 40 BFAB CCCOc1ccc(N)c2cccnc12 19772630 ILRXXRUMMFJXTH-UHFFFAOYSA-N 202.257 2.606 0 40 BFAB c1coc([C@@H](CNC2CCCC2)N2CCCC2)c1 20123043 BOHZWCLFBRDDIO-CQSZACIVSA-N 248.370 2.949 0 40 BFAB COc1ccccc1C1(C(=O)O)CCCCC1 20429457 KCMRNPRZCCSZOA-UHFFFAOYSA-N 234.295 2.982 0 40 BFAB CC(C)=C[C@@H]1[C@H](C(=O)N2CCCC2)C1(C)C 32843260 OILFIJKSVULUJO-VXGBXAGGSA-N 221.344 2.847 0 40 BFAB Cc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 36632825 FFFOUHRGBQPHGH-NSHDSACASA-N 202.257 2.723 0 40 BFAB Cc1cccc(CNC(=O)Cc2cccs2)c1 36729069 UIKZCGFGNHNEFT-UHFFFAOYSA-N 245.347 2.915 0 40 BFAB Cc1cccc(-c2c[nH]c(C(=O)O)c2)c1 38478326 LKKXISVRLIUFPT-UHFFFAOYSA-N 201.225 2.688 0 40 BFAB COc1ccc([C@H](O)c2cccs2)cc1F 40263091 QDOPVFAKPVIVAQ-LBPRGKRZSA-N 238.283 2.978 0 40 BFAB CC[C@H]1CCCCN1c1cc(=S)[nH]cn1 45918625 YRZYETZCYPNNOW-VIFPVBQESA-N 223.345 2.908 0 40 BFAB CC(C)NC(=O)Cc1c(F)cccc1Cl 46346350 AOTOPNVLQHEFCQ-UHFFFAOYSA-N 229.682 2.546 0 40 BFAB C[C@H]1C[C@@H](C)CN([C@@H](C)c2nc(C3CC3)no2)C1 51159021 SRDITENRFDOUDC-AXFHLTTASA-N 249.358 2.986 0 40 BFAB O=C(O)Cc1c(Cl)cccc1Br 71606006 KTPDPINDCZGYEC-UHFFFAOYSA-N 249.491 2.730 0 40 BFAB CC[C@H](C(=O)O[C@@H]1CCOC1)c1ccccc1 71883881 LPUSOKKFKZYVIZ-OLZOCXBDSA-N 234.295 2.512 0 40 BFAB Cc1ncsc1C(=O)N(CC(C)C)C1CC1 71972089 VWEMPVJRQIQTDI-UHFFFAOYSA-N 238.356 2.712 0 40 BFAB CCN1CCCC[C@H]1c1cnccc1C 72211412 OCBQVIINUVILRE-ZDUSSCGKSA-N 204.317 2.937 0 40 BFAB CCCCN1CCCC[C@@H]1c1cccnc1N 72212440 IMAPYTMCWLJGRT-CYBMUJFWSA-N 233.359 2.991 0 40 BFAB Cc1nc(S)ccc1C(=O)c1ccccc1 72224824 ABRSZTXDZZVWSC-UHFFFAOYSA-N 229.304 2.910 0 40 BFAB C[C@H](N)c1c(F)cc(Br)cc1F 75845015 RKEWVQWENMZJIB-BYPYZUCNSA-N 236.059 2.747 0 40 BFAB Clc1nc2c(cc1Br)CCC2 83100076 AYPSTXNKSOMZRS-UHFFFAOYSA-N 232.508 2.986 0 40 BFAB COc1cc(CNCC(C)C)ccc1F 83346634 DRAVCWSMKALDEU-UHFFFAOYSA-N 211.280 2.580 0 40 BFAB Cc1ccncc1-c1ccc(C(=O)O)cc1 85441857 ZYDMVWXEOCVVLB-UHFFFAOYSA-N 213.236 2.755 0 40 BFAB O=C(/C=C/c1ccsc1)NCCc1ccoc1 90607407 KXVVDEGLNONUJA-OWOJBTEDSA-N 247.319 2.713 0 40 BFAB Clc1cncc2c(Br)ccn12 91693039 UNFVIJDILRAKFO-UHFFFAOYSA-N 231.480 2.750 0 40 BFAB CCC1(COc2ccc(C(=O)O)cn2)CCC1 95093868 DBTRUSZOHFEHGX-UHFFFAOYSA-N 235.283 2.739 0 40 BFAB Fc1ccc(/C=C/c2ccnnc2)c(F)c1 95434383 BOEZEZHAUYIAGI-OWOJBTEDSA-N 218.206 2.925 0 40 BFAB CC[C@@H]1CC[C@@H](C)N1C(=O)NCc1ccco1 95458658 DAVSFYDXHIPHPF-GHMZBOCLSA-N 236.315 2.752 0 40 BFAB Fc1cc(Br)ccc1-c1ncc[nH]1 146531231 ZYWRRIPTOCHRSM-UHFFFAOYSA-N 241.063 2.978 0 40 BFAB CN(C)[Si]C(c1ccccc1)c1ccccc1 199692005 UNABZXTYLUMNPZ-UHFFFAOYSA-N 239.394 2.957 0 40 BFAB Fc1ccc([C@H]2NCCc3occc32)cc1 215504502 XZZPTZQMSVEWCF-CYBMUJFWSA-N 217.243 2.654 0 40 BFAB N[C@H]1CN(c2ccccc2)[C@@H]1c1ccccc1 224239525 VVQBLBPWBQUFOS-LSDHHAIUSA-N 224.307 2.575 0 40 BFAB CC[C@@H](C(=O)O)N(C)c1c(C)cc(C)cc1C 225005716 KWQAEQPIEAGHFQ-LBPRGKRZSA-N 235.327 2.911 0 40 BFAB CC[C@@H](C)n1nccc1CNc1nn(C)cc1C 256053055 PUONXALGKDGHEF-LLVKDONJSA-N 247.346 2.508 0 40 BFAB CC[C@H](C)n1nccc1CNCc1ccco1 256053326 QZVYIDARPFEOSO-NSHDSACASA-N 233.315 2.737 0 40 BFAB CCN(CC)c1cc(C)c2cccc(N)c2n1 258150174 XIZAAXXKCICICP-UHFFFAOYSA-N 229.327 2.972 0 40 BFAB Cc1ccc(-c2cncc([C@H]3CCCN3)n2)cc1 616575108 FLRAQMNJRWALBT-CYBMUJFWSA-N 239.322 2.877 0 40 BFAB Cn1c(Cl)cc2nc(Cl)ccc21 953056978 IHIDRTZGDFBFMG-UHFFFAOYSA-N 201.056 2.880 0 40 BFAB Nc1onc2cccc(OCc3ccccc3)c12 2362803891 ZRXFXYNPSOKXHW-UHFFFAOYSA-N 240.262 2.989 0 40 BFAB COc1cccc(OCCc2c(C)n[nH]c2C)c1 340890 SNFYJUATAWYARV-UHFFFAOYSA-N 246.310 2.657 0 40 BFAB COC(=O)CCCn1ccc2ccccc21 410168 IYQNSZJUPJZUHS-UHFFFAOYSA-N 217.268 2.595 0 40 BFAB CC(C)(C)C(=O)Nc1nnc(C(C)(C)C)s1 917528 ODMYCVLFGDYSQL-UHFFFAOYSA-N 241.360 2.820 0 40 BFAB N[C@H](COc1ccccc1)Cc1ccccc1 1561024 BOIUINRGZLZISQ-AWEZNQCLSA-N 227.307 2.635 0 40 BFAB CCCCCc1cccc(CC(=O)OCC)n1 1734558 LLNPWNJMZOIDGS-UHFFFAOYSA-N 235.327 2.920 0 40 BFAB CCN1CCC[C@H]1Cn1c(C)ccc1C 2661446 DGLGETREWQMTCM-ZDUSSCGKSA-N 206.333 2.589 0 40 BFAB in-vitro Cc1ccc(F)cc1NC(=O)[C@@H]1C[C@H]1C 5698977 FRGJTDTVLSBURU-PSASIEDQSA-N 207.248 2.729 0 40 BFAB CCN(CC)CCCOc1cccc(C=O)c1 9261526 INZFHSDYRFJOIK-UHFFFAOYSA-N 235.327 2.610 0 40 BFAB NCc1cccc(COc2ccccc2)c1 12370749 SFQYXARJWMIOQD-UHFFFAOYSA-N 213.280 2.724 0 40 BFAB in-vitro CC[n+]1c(-c2ccccc2)cn2ccccc21 12476213 MMDLVLRDCJBLEG-UHFFFAOYSA-N 223.299 2.914 0 40 BFAB Cc1ccc(C(=O)N[C@H](C)c2ccccn2)s1 12537370 HUYAWOPVUPVUNI-SNVBAGLBSA-N 246.335 2.943 0 40 BFAB CCCCCNC(=O)c1cc(-c2ccco2)[nH]n1 12544648 KZISZKAYUYMHFG-UHFFFAOYSA-N 247.298 2.590 0 40 BFAB C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCSc2ccccc21 12905490 UFXJEABLPVHYGD-ADEWGFFLSA-N 247.363 2.996 0 40 BFAB O=Cc1ccc(Sc2ccc(C=O)o2)o1 16887558 QOYKXSZOMMAGRQ-UHFFFAOYSA-N 222.221 2.649 0 40 BFAB Cc1ccc2cc3c(nc2c1C)O[C@H](C)CNC3 19234317 IBWVASWEVRMRRD-SNVBAGLBSA-N 242.322 2.722 0 40 BFAB Nc1ccccc1COCc1ccccc1 19272038 FEZQBNAKAKTQFJ-UHFFFAOYSA-N 213.280 2.986 0 40 BFAB in-vitro CCc1ccc(C(=O)NCC(C)C)cc1 19897688 VDVVFHCSHUDDPA-UHFFFAOYSA-N 205.301 2.635 0 40 BFAB CCc1nc(Cl)nn1-c1ccc(F)cc1 22125776 UKBIFGLIGZGTAH-UHFFFAOYSA-N 225.654 2.622 0 40 BFAB C[C@H]1CN(c2c(N)cccc2Cl)C[C@@H](C)O1 22141079 VEVCPFBEBOZXGK-DTORHVGOSA-N 240.734 2.536 0 40 BFAB COc1ccc(-c2cnc3n2CCC3)cc1 26443878 GICZHEPVSTWZEZ-UHFFFAOYSA-N 214.268 2.505 0 40 BFAB O=C(CCn1ccc2ccccc21)N1CCCC1 32747685 XDOGMWTZGSDQOF-UHFFFAOYSA-N 242.322 2.654 0 40 BFAB Cc1ccc(C(=O)N(C)[C@H](C)C(C)(C)C)cn1 32788227 CFCMDJONDZQAJP-LLVKDONJSA-N 234.343 2.897 0 40 BFAB Nc1ccnc(Oc2ccc(F)cc2)c1 33294783 WYHXLDSNCVUMJY-UHFFFAOYSA-N 204.204 2.595 0 40 BFAB Cc1[nH]c(-c2ccccc2Cl)nc1C(=O)O 35320752 RCYCMMDFMRIOIX-UHFFFAOYSA-N 236.658 2.737 0 40 BFAB CC(C)(C)OC(=O)Nc1ccc(C(=O)O)s1 35426414 SJDHQBPIYARAPS-UHFFFAOYSA-N 243.284 2.793 0 40 BFAB in-vitro CCc1cc(Cl)nc(-c2ccncc2)n1 36755680 BOXIBVHVFRRNDX-UHFFFAOYSA-N 219.675 2.754 0 40 BFAB in-vitro NCc1ccc(-c2ccc(F)c(F)c2)o1 36929580 DGBGDIWBIFKBER-UHFFFAOYSA-N 209.195 2.684 0 40 BFAB Nc1c(Cl)ncnc1Nc1ccccc1F 40571853 VQOXMNWUPLHPHI-UHFFFAOYSA-N 238.653 2.595 0 40 BFAB Fc1ccc(-c2cnc3ncccn23)cc1 42827192 CEOJHFISFKOFKV-UHFFFAOYSA-N 213.215 2.535 0 40 BFAB CCNCc1cccn1-c1ccccc1 45205866 UMSBGLRDJLSWGN-UHFFFAOYSA-N 200.285 2.587 0 40 BFAB OCC1CCN(Cc2ccccc2Cl)CC1 46090683 GZGOPQOSIQOVIG-UHFFFAOYSA-N 239.746 2.544 0 40 BFAB CCc1nc(C)c(C(=O)NC(C)(C)C)s1 50256410 AOQXVBOGULCAFX-UHFFFAOYSA-N 226.345 2.542 0 40 BFAB C[C@H]1CNCCN1Cc1ccc(C(C)(C)C)cc1 54371931 UHRRESGZMPRXMP-ZDUSSCGKSA-N 246.398 2.778 0 40 BFAB CCCCC(=O)N[C@H]1C[C@@H]1c1cccc(F)c1 67092250 MEKBJIIOPYRKCD-OLZOCXBDSA-N 235.302 2.988 0 40 BFAB CC(C)=CC(=O)N[C@H](C)Cc1cccs1 69531390 YHGKSEIUDRCBHX-SNVBAGLBSA-N 223.341 2.762 0 40 BFAB Cc1cc(CNC(=O)/C=C/c2ccco2)c(C)o1 70640334 ZZDHAWLLXHFOPS-AATRIKPKSA-N 245.278 2.819 0 40 BFAB CCO[C@@H](c1ccccc1)[C@H]1CCCNC1 72207905 NWNJMTGZDCTVCD-KBPBESRZSA-N 219.328 2.764 0 40 BFAB Cc1cc(Oc2ccccc2)ncc1C(=O)O 72223149 VMNSWDWBFBXERT-UHFFFAOYSA-N 229.235 2.881 0 40 BFAB NC(=S)Nc1cccc(C(F)(F)F)c1F 75903238 OICFABZILJCTPE-UHFFFAOYSA-N 238.209 2.500 0 40 BFAB c1ccc(N2N=N[C@@H]3CCCCC[C@@H]32)nc1 78503036 IROWVDFNJXGYFX-MNOVXSKESA-N 216.288 2.970 0 40 BFAB CC(C)(C)OC(=O)N[C@H]1CNc2ccccc21 84786108 XZLKLTBWOBSTJN-NSHDSACASA-N 234.299 2.678 0 40 BFAB in-vitro CCOc1cccc([C@@](C)(O)C(C)C)c1 86336395 QSABJXWATBNHFM-ZDUSSCGKSA-N 208.301 2.949 0 40 BFAB CC(C)[C@@H](N)c1nc2cnccc2n1C(C)C 88865768 ZYDCDYOBXDDARL-GFCCVEGCSA-N 232.331 2.668 0 40 BFAB Cc1cnn(CCCOCCc2ccccc2)c1 89702484 IQNNEFROFOMPLL-UHFFFAOYSA-N 244.338 2.841 0 40 BFAB Cc1c(F)cc(C(=O)O)cc1OC(C)C 95095505 FAAYQXPIBLAZKD-UHFFFAOYSA-N 212.220 2.620 0 40 BFAB COC(=O)c1cc(F)c(F)c(C(F)(F)F)c1 95215885 ODXPBGBSDXMEII-UHFFFAOYSA-N 240.127 2.770 0 40 BFAB CSc1cccc(CCOC(C)=O)c1 95730002 LRQZLNRAHFXTFO-UHFFFAOYSA-N 210.298 2.514 0 40 BFAB C/C(=C\C(=O)N(C)C)c1ccccc1Cl 96035648 JJGGEIVFCRIHHL-CMDGGOBGSA-N 223.703 2.832 0 40 BFAB c1ccc2c(c1)nc(C1CC1)n2C[C@@H]1CCCN1 96510511 ZMAKZWCMLYBMKH-LBPRGKRZSA-N 241.338 2.666 0 40 BFAB CC(C)CCC(=O)OC[C@@H]1CCCCO1 98070518 GKTQUKHQVATAJN-NSHDSACASA-N 214.305 2.535 0 40 BFAB CC(=O)CCC[C@@H](C)CO[C@@H]1CCCCO1 98091024 QATYWYWXGPNTNI-DGCLKSJQSA-N 228.332 2.925 0 40 BFAB O=C(O)C12C[C@@H]3C[C@H](CC(Cl)(C3)C1)C2 100003586 GMOBHRQSNDDZAD-GHQHZXSUSA-N 214.692 2.649 0 40 BFAB CCN(CC)C(=O)[C@@H](C)Sc1ccoc1C 131494438 FYQWZJJAISAQBN-SNVBAGLBSA-N 241.356 2.937 0 40 BFAB c1cnc(NCc2ccc3ncccc3c2)nc1 187917198 XQUAQIPMRPYBBE-UHFFFAOYSA-N 236.278 2.637 0 40 BFAB Cc1cc(N)c(Br)c(Cl)c1 199752203 XPBISUFUGLZDQA-UHFFFAOYSA-N 220.497 2.993 0 40 BFAB Cc1ccccc1-n1cc(CN)cc1C 223751502 DREDKYZRUYQFJC-UHFFFAOYSA-N 200.285 2.553 0 40 BFAB CNc1ccc(NC(=O)c2ccco2)c(C)c1 226285751 PLSFGWBSDPOYPG-UHFFFAOYSA-N 230.267 2.882 0 40 BFAB Cc1cc2c(Br)c[nH]c2cn1 238730489 UZGFJPJPIBJPCY-UHFFFAOYSA-N 211.062 2.634 0 40 BFAB in-vitro CCCCCCNCc1ccnn1C(F)F 256053204 QMSHQPTZBWJOGG-UHFFFAOYSA-N 231.290 2.948 0 40 BFAB Cc1cc(N2CCCC2)nc2c(N)cccc12 258004891 DOYVYSLGHBUGBV-UHFFFAOYSA-N 227.311 2.726 0 40 BFAB Cc1nc(C)c(CN2CCC(F)(F)C2)s1 335958764 ZHHPDKMLNCJHJN-UHFFFAOYSA-N 232.299 2.601 0 40 BFAB COC(=O)c1cc(F)ccc1OC(F)(F)F 396108691 CDBFAVNNEDSZGJ-UHFFFAOYSA-N 238.136 2.511 0 40 BFAB Cc1[nH]c2ccccc2c1[C@@H](O)c1cccnc1 71966 CTDQZAAWPMOVPZ-HNNXBMFYSA-N 238.290 2.953 0 40 BFAB Cc1ccc(-c2cn3nc(C)c(C)nc3n2)cc1 85444 JRKPBJLGZNRQTH-UHFFFAOYSA-N 238.294 2.717 0 40 BFAB Cc1ccc2nc(-c3cc(N)cc(N)c3)oc2c1 173138 NFWUJCSBGBVBPE-UHFFFAOYSA-N 239.278 2.968 0 40 BFAB aggregator Cc1cc(C)nc(S[C@H]2CCCCC2=O)n1 355795 MSIRLUVYEBJJQC-NSHDSACASA-N 236.340 2.697 0 40 BFAB O=C(O)[C@H](c1cccs1)C1(O)CCCCC1 1566890 FJVBULBCVFMRGD-JTQLQIEISA-N 240.324 2.612 0 40 BFAB O=C1/C(=C/c2ccccc2)N=C2CCCCCN12 3198465 WCOFYCYVMITNMB-QBFSEMIESA-N 240.306 2.842 0 40 BFAB CCn1cc(SC(=N)N)c2ccccc21 3866090 AYDDZPJOSPKOCJ-UHFFFAOYSA-N 219.313 2.647 0 40 BFAB Cc1cc(C)n(C(=S)Nc2ccccc2)n1 5336948 IKQWGPBKJJKYQL-UHFFFAOYSA-N 231.324 2.745 0 40 BFAB Cc1cccc([C@H]2CC(=O)c3cn[nH]c3C2)c1 10156785 MRJBQIGMLBYZGV-LLVKDONJSA-N 226.279 2.631 0 40 BFAB COc1cc2cc(OC)c(OC)cc2cc1OC 14628746 SHRMNWAPYJYUHG-UHFFFAOYSA-N 248.278 2.874 0 40 BFAB O=C(Nc1cccc(Cl)c1)Nc1ccon1 15934325 DICPEBIRKHIIBT-UHFFFAOYSA-N 237.646 2.972 0 40 BFAB CCCNc1cnc2c(cnn2C(C)C)c1 20148133 HBONMJWIMPWSJW-UHFFFAOYSA-N 218.304 2.834 0 40 BFAB FC(F)(F)[C@H]1NCCc2c1[nH]c1ccccc21 20223825 MTJHHRXTCMKWEC-NSHDSACASA-N 240.228 2.917 0 40 BFAB Cc1ccc(C(=O)Cc2ccccn2)cc1 20427203 GSDQHQGFZHVAPE-UHFFFAOYSA-N 211.264 2.815 0 40 BFAB in-vitro CN(C)Cc1ccccc1NC(=O)c1ccoc1 24811508 XBCOFSNQNXSALF-UHFFFAOYSA-N 244.294 2.594 0 40 BFAB CCOC(=O)c1ccc(C(=O)CC)s1 31893735 ZKQABJKXPXQBMI-UHFFFAOYSA-N 212.270 2.518 0 40 BFAB O=C(NCCc1cccc(F)c1)C1CCCC1 32745059 MPMRAEIBCCQJJQ-UHFFFAOYSA-N 235.302 2.675 0 40 BFAB NC1=NN(c2ccccc2)[C@H](c2ccccc2)C1 34592812 XOUOFYWYDVOBNR-AWEZNQCLSA-N 237.306 2.910 0 40 BFAB Nc1nc2c(s1)C[C@@H]1CCCC[C@@H]1C2 34617909 JHUMDYXYRRVVRQ-SFYZADRCSA-N 208.330 2.630 0 40 BFAB O=Cc1c[nH]nc1-c1cc2ccccc2o1 34956912 GUUKJWRMPVVNOL-UHFFFAOYSA-N 212.208 2.635 0 40 BFAB in-vitro CC[C@@H](C)NCc1cc(C)ccc1OC 35161695 JDWSQMNXBGRXTJ-LLVKDONJSA-N 207.317 2.892 0 40 BFAB C=CC(=O)NCc1cccc(C(F)(F)F)c1 36334209 GNPRFMAXHDFXQH-UHFFFAOYSA-N 229.201 2.508 0 40 BFAB in-vitro CCCN[C@H](C)Cc1ccccc1OC 37184373 TZESRJZYXHLWCX-LLVKDONJSA-N 207.317 2.626 0 40 BFAB Cc1c(CC(=O)O)cccc1C(F)(F)F 38529671 FQVYJURFBWJJPW-UHFFFAOYSA-N 218.174 2.641 0 40 BFAB Cc1n[nH]c(SCC2CCCCC2)n1 40487665 BBVLNVCTXUBSOE-UHFFFAOYSA-N 211.334 2.786 0 40 BFAB CCC(C)(C)NC(=O)Cc1noc2ccccc12 46539441 JVZLWIRMPDPPDG-UHFFFAOYSA-N 246.310 2.675 0 40 BFAB CNC(=O)N(Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 47969587 CJVZIXUSVMOZNF-JOYOIKCWSA-N 248.326 2.707 0 40 BFAB C[C@@H](NC(=O)C1CC1)c1cccc(Cl)c1 50042675 KTJRZYPZKBKMDE-MRVPVSSYSA-N 223.703 2.927 0 40 BFAB O=C(c1ccccc1)c1ccc2n1CCC2 67665129 DHUITNLXEMJSMU-UHFFFAOYSA-N 211.264 2.665 0 40 BFAB in-vitro CC(C)c1nc(CNC(=O)[C@@H]2C[C@H]2C)cs1 71879566 IOURNVBNHGRUDO-PSASIEDQSA-N 238.356 2.539 0 40 BFAB COCC(=O)N(c1ccccc1)C1CCCC1 71888876 KMRNIVPZTJOCSQ-UHFFFAOYSA-N 233.311 2.609 0 40 BFAB CCCN1CCC[C@@H]1c1cncc(C)c1 72211344 UZJRHLUQSJSSDM-CYBMUJFWSA-N 204.317 2.937 0 40 BFAB CCN1CCC[C@@H]1c1cccnc1NC1CC1 72213709 DYSWJCJBFNZTGU-CYBMUJFWSA-N 231.343 2.813 0 40 BFAB Fc1cc(Br)c2c(c1)CCCO2 75882913 CWHBRNOMRBEAOU-UHFFFAOYSA-N 231.064 2.913 0 40 BFAB Cc1nsc(NCc2ccccc2F)n1 83647921 VRPSJYWKYUEBGG-UHFFFAOYSA-N 223.276 2.598 0 40 BFAB Cc1cc2c(o1)C[C@H](C(F)(F)F)C[C@@H]2O 85399177 HIAANWKGTVOURW-SVRRBLITSA-N 220.190 2.746 0 40 BFAB CCC(CC)Oc1ccc(C(=O)O)cc1 87155854 IORPZOKHCNDOTA-UHFFFAOYSA-N 208.257 2.952 0 40 BFAB c1cc2c(cc1Oc1cn[nH]c1)CCC2 95095559 NNSHEZSTBVHMSW-UHFFFAOYSA-N 200.241 2.691 0 40 BFAB C[C@H](Nc1cnn(CC(F)F)c1)C(C)(C)C 95991585 LPWHHSPGBQJKKP-QMMMGPOBSA-N 231.290 2.995 0 40 BFAB Cn1cc(-c2cc(Cl)nc(C3CCC3)n2)cn1 96524154 PIZBRKRHVYFWHR-UHFFFAOYSA-N 248.717 2.798 0 40 BFAB C[C@H]1C[C@@H](NC[C@H](O)c2ccncc2)CC[C@H]1C 97146734 CXIOPHKHLHPKGW-DHMWGJHJSA-N 248.370 2.529 0 40 BFAB C[C@](F)(C(=O)O)c1ccc(Cl)cc1 98174865 YSNNQTPQDBQRIP-SECBINFHSA-N 202.612 2.609 0 40 BFAB COc1c(C)cc(C(=O)C2CC2)cc1C 106882759 HLVVDWWHDZNWSF-UHFFFAOYSA-N 204.269 2.905 0 40 BFAB CC[C@H](NN)c1cccc(C(F)(F)F)c1 161779318 AGFOKWSBQBGWSO-VIFPVBQESA-N 218.222 2.620 0 40 BFAB COC(=O)CCc1cnc2cc(C)ccc2c1 256052403 NDPVZIOXCCGFEC-UHFFFAOYSA-N 229.279 2.649 0 40 BFAB C[C@H]1CN(C(=O)CCn2cccc2)C(C)(C)C1 746656331 FUTRMCPHMHHUDC-GFCCVEGCSA-N 234.343 2.525 0 40 BFAB Cn1cc(Br)c2nc(Cl)ccc21 953057015 YVEGSBVTQYAKQB-UHFFFAOYSA-N 245.507 2.989 0 40 BFAB Cc1ccc(N2C[C@@H]3CCC[C@H]3C2)nc1 2298176287 CPAMGRQJCNFGRN-RYUDHWBXSA-N 202.301 2.626 0 40 BFAB CNC(=O)c1ccc(-c2ccc(OC)cc2)s1 1396899 CBCLIHJNAKLTOA-UHFFFAOYSA-N 247.319 2.783 0 40 BFAB aggregator Cn1c(-c2ccc(N)cc2)nc2ccccc21 1470684 UDWGXVIDMXDJOV-UHFFFAOYSA-N 223.279 2.823 0 40 BFAB CSc1nnc2c3ccccc3ccn12 1702915 WZRQFDCTRCMPNL-UHFFFAOYSA-N 215.281 2.604 0 40 BFAB CCOC(=O)N1CCc2[nH]c3ccccc3c2C1 2100963 AKPNWVKYAAVIIB-UHFFFAOYSA-N 244.294 2.683 0 40 BFAB biogenic CCCCOc1ccc(C(=O)OC)cc1 2149420 PUHCYTHGLBCWEA-UHFFFAOYSA-N 208.257 2.652 0 40 BFAB in-vitro O=C(NCc1ccccc1)c1c(F)cccc1F 5557812 LYKBBSBASKSGFI-UHFFFAOYSA-N 247.244 2.895 0 40 BFAB CCCCOC(=O)c1cc(Cl)ccc1N 5821417 VGPZVSACUNPIKT-UHFFFAOYSA-N 227.691 2.879 0 40 BFAB CC(C)Cn1c(-c2ccco2)n[nH]c1=S 6493093 CZOLJPVMCCCRAX-UHFFFAOYSA-N 223.301 2.857 0 40 BFAB in-vitro CCOC(=O)/C(F)=C\c1cccc(F)c1 8653340 RTEWJEUZJAVZEA-JXMROGBWSA-N 212.195 2.699 0 40 BFAB Cc1cc(-n2cccc2C=O)ccc1F 8701943 AKFCYIMXXZEGHL-UHFFFAOYSA-N 203.216 2.737 0 40 BFAB CCC(CC)C(=O)Nc1cc(N)ccc1C 8703456 PTGLOWUNUSNNAA-UHFFFAOYSA-N 220.316 2.952 0 40 BFAB CCc1ccc([C@@H](N)c2cccnc2)cc1 11737291 JYYMVHGJPWYOHW-CQSZACIVSA-N 212.296 2.692 0 40 BFAB CC(C)CNC(=S)Nc1cccc(F)c1 13786777 ZBOMVJLLRVLXQH-UHFFFAOYSA-N 226.320 2.768 0 40 BFAB O=C(c1ccsc1)[C@H](O)c1ccccc1 17423423 JIJZGGQFINQAPK-LLVKDONJSA-N 218.277 2.664 0 40 BFAB COc1ccc(OC)c(CNC(C)(C)C)c1 20282389 IANAEYZIBWBLPA-UHFFFAOYSA-N 223.316 2.592 0 40 BFAB in-vitro CC(C)(C)c1ccc(C2(CN)CC2)cc1 33487066 NPGRBWSFTNYOED-UHFFFAOYSA-N 203.329 2.974 0 40 BFAB C=CC(=O)OC1(C)C2CC3CC(C2)CC1C3 34409123 YRPLSAWATHBYFB-UHFFFAOYSA-N 220.312 2.930 0 40 BFAB O=C(O)c1csc(Cc2ccccc2F)n1 36220703 XKYJCBCYEQTENY-UHFFFAOYSA-N 237.255 2.571 0 40 BFAB in-vitro C[C@@H]1C[C@@H]1C(=O)N(C)CC1CCCCC1 43979900 DSAMOXVUXWYRKI-PWSUYJOCSA-N 209.333 2.681 0 40 BFAB C[C@H]1[C@]23CC=CC[C@]2(CCCC3)CS1(=O)=O 45027908 ZTXAGCGGJCSEOI-RWMBFGLXSA-N 240.368 2.700 0 40 BFAB NC[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 54586849 HMVDYILQOBDJFR-SCZZXKLOSA-N 215.218 2.768 0 40 BFAB CN(c1ccccc1)c1ncc(C(=O)O)s1 54909801 BEDMTDMWPMWXGN-UHFFFAOYSA-N 234.280 2.609 0 40 BFAB CCN(CC)C(=O)c1ccc(SC)cc1 70238392 NEPMAHNIEFMJQD-UHFFFAOYSA-N 223.341 2.891 0 40 BFAB CCCCNc1ccc([C@H]2CCCN2C=O)cn1 72213646 XSTUKYIUQNFELK-CYBMUJFWSA-N 247.342 2.587 0 40 BFAB CN1CCCC[C@H]1c1cccnc1S 72217076 RJEMTVBFPQLYSL-JTQLQIEISA-N 208.330 2.527 0 40 BFAB C[C@H]1c2cccn2CCN1C(=O)/C=C/C(C)(C)C 72275270 ZQWDAGWOSUKDGQ-GUOLPTJISA-N 246.354 2.994 0 40 BFAB Cc1ccccc1OCCn1cccc(C)c1=O 78488880 ICHRMRPEASDCPN-UHFFFAOYSA-N 243.306 2.544 0 40 BFAB Cc1occc1C(=O)N1C[C@H]2CCCC[C@H]2C1 89540583 MLXYPZDMXDEZDR-TXEJJXNPSA-N 233.311 2.850 0 40 BFAB O=C(O)[C@@]12C[C@H]3C[C@@H](C1)C(F)(F)[C@H](C3)C2 100312159 STPITGHNDOOTFQ-XYYXLIQBSA-N 216.227 2.533 0 40 BFAB CCOC(=O)[C@H]1C[C@H](OCc2ccccc2)C1 100453354 BOBSPEXKRNDFCE-BETUJISGSA-N 234.295 2.545 0 40 BFAB CCSc1ccc(Cl)cc1NC(N)=O 105048792 IOSMMNLQOSKKLU-UHFFFAOYSA-N 230.720 2.943 0 40 BFAB O=C(NC[C@@H]1C[C@H]2C=C[C@H]1C2)c1ccccc1 107798735 HTWMWYATROLWGN-UBHSHLNASA-N 227.307 2.629 0 40 BFAB Cc1cccc([S@@](=O)Cc2ccccn2)c1 191183254 MQRHOUINTOTZQN-INIZCTEOSA-N 231.320 2.698 0 40 BFAB CC1(C)C[C@H](CC(=O)O)CC(F)(F)C1 220000310 UOBDLSVHSWEKEC-ZETCQYMHSA-N 206.232 2.923 0 40 BFAB CCOC(=O)c1ccc2c(O)cccc2c1 238294510 LGFMLCVIFWZFTI-UHFFFAOYSA-N 216.236 2.722 0 40 BFAB COc1cccc2c(=O)c(C)c(C(C)C)[nH]c12 685938786 YAKKRQOQAVEDIZ-UHFFFAOYSA-N 231.295 2.969 0 40 BFAB CCOC(=O)c1cc(-c2ccc(F)cc2)no1 266304 MPABJNMHRUYNLO-UHFFFAOYSA-N 235.214 2.657 0 40 BFAB O=C(O)C1[C@H]2c3cccc4cccc(c34)[C@@H]12 1708890 QSNDUDCESDFEPC-FUNVUKJBSA-N 210.232 2.735 0 40 BFAB N[C@@H](Cc1ccc(O)cc1)c1ccccc1 3641932 IHKIKEDQADLMTP-AWEZNQCLSA-N 213.280 2.635 0 40 BFAB O=C(O)CCc1nc2cc(Cl)ccc2s1 4219237 UMBLVHSXXWQLDL-UHFFFAOYSA-N 241.699 2.967 0 40 BFAB in-vitro CNC(=S)Nc1ccc(Cl)cc1Cl 4670383 DTKJSIGFJFXNFE-UHFFFAOYSA-N 235.139 2.910 0 40 BFAB CSc1cccc(NC(=O)C2CC2)c1 6152570 DMVBCTXQPZARJX-UHFFFAOYSA-N 207.298 2.757 0 40 BFAB CCc1nnc(-c2cc3ccccc3n2C)o1 7451895 NFIYUQDESFDNBU-UHFFFAOYSA-N 227.267 2.791 0 40 BFAB Cc1ccc(C)c(OCC(C)(C)C(=O)O)c1 8730694 OQNVBORLRXZCSQ-UHFFFAOYSA-N 222.284 2.793 0 40 BFAB COC(=O)CCCc1ccc(Cl)cc1 9280757 PKDYQQMLWWXCHT-UHFFFAOYSA-N 212.676 2.836 0 40 BFAB in-vitro CN(C)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 12929596 SVJACNKKXAKJEG-UHFFFAOYSA-N 242.322 2.749 0 40 BFAB C[C@@H](NC(=O)c1cccc2cccnc12)C1CC1 15480540 OERHGFLAALXICW-SNVBAGLBSA-N 240.306 2.763 0 40 BFAB Nc1nnc(-c2ccc(Cl)c(Cl)c2)o1 17105156 YGDAKLFEIFZEOO-UHFFFAOYSA-N 230.054 2.626 0 40 BFAB CSc1ccccc1NC(=O)C1CC1 19935125 LZNXQEQZPPIYMR-UHFFFAOYSA-N 207.298 2.757 0 40 BFAB CCCNC(=O)c1ccc(C)c(-n2cccc2)c1 22241403 HUDZSPSFWKHMQR-UHFFFAOYSA-N 242.322 2.926 0 40 BFAB Cc1ccoc1C(=O)NCCc1cccs1 22505220 YXSBDAYTRNJEHR-UHFFFAOYSA-N 235.308 2.622 0 40 BFAB COCCN[C@@H](c1ccccc1)C(C)C 35224331 JKTXUEHKDSVFKJ-CYBMUJFWSA-N 207.317 2.620 0 40 BFAB Nc1ccc(Cl)c(F)c1C(=O)C(F)(F)F 39121641 HULNAKQVPZSBCK-UHFFFAOYSA-N 241.571 2.806 0 40 BFAB O=c1[nH]c(Cc2ccccc2)nc2ccsc12 39187655 YFEQBYXQACYKKN-UHFFFAOYSA-N 242.303 2.575 0 40 BFAB Cc1cc(=O)c2cc(C(F)(F)F)ccc2n1C 40164091 FTVPDDYGFUQMNG-UHFFFAOYSA-N 241.212 2.866 0 40 BFAB CCOC(=O)c1ccc(-c2cccnc2)o1 45028407 FHQNTOAXQGCTKH-UHFFFAOYSA-N 217.224 2.518 0 40 BFAB Cc1ccc(-c2nc(C(=O)O)co2)cc1C 48215284 FACZPLBDNSGSHD-UHFFFAOYSA-N 217.224 2.657 0 40 BFAB CCOC(=O)[C@H](C)Nc1ccc2ccccc2n1 49374336 YIDFBEIKIGRKBU-JTQLQIEISA-N 244.294 2.598 0 40 BFAB C[C@@H]1CCCCCN1C(=O)c1ccc(N)cc1 70407845 NQEMQZDJINTXTK-LLVKDONJSA-N 232.327 2.674 0 40 BFAB CC[C@H]1CN(Cc2ccccc2)[C@@H](CC)CN1 71372311 OGTGPQVLSNVPIB-GJZGRUSLSA-N 232.371 2.649 0 40 BFAB in-vitro COC[C@@H](OC)c1ccc(Br)cc1 72220312 LLKSCIWYCZLAJG-SNVBAGLBSA-N 245.116 2.783 0 40 BFAB C[C@H](O)c1ccc(Nc2ccccc2)nc1 72225300 WXPVDHGHISWXQC-JTQLQIEISA-N 214.268 2.879 0 40 BFAB O=C(OCc1ccc(F)cc1)[C@H]1CCCS1 72305099 YISXOLPNUQRNDJ-LLVKDONJSA-N 240.299 2.765 0 40 BFAB C[C@H](N)CCc1ccccc1OC(F)F 84349467 QMOCFZITESZEES-QMMMGPOBSA-N 215.243 2.568 0 40 BFAB O=C(O)c1scc(Cl)c1OC(F)F 96510958 IMPAWFHXDOWGIP-UHFFFAOYSA-N 228.603 2.701 0 40 BFAB CCS(=O)(=O)c1cc[nH]c1-c1cccc(C)c1 96532723 LAFJPOGCMLQXQM-UHFFFAOYSA-N 249.335 2.784 0 40 BFAB CCOC(=O)c1c(F)ccc(OC)c1Cl 199565548 JISAAXNTIUEJPA-UHFFFAOYSA-N 232.638 2.664 0 40 BFAB CCC(CC)NC(=S)Nc1cc(C)ccn1 225801928 IVKJZKHMUJMZBZ-UHFFFAOYSA-N 237.372 2.865 0 40 BFAB CSc1nc(Cl)cc(C2CCOCC2)n1 725344709 UJXVBFQZIXDAGB-UHFFFAOYSA-N 244.747 2.746 0 40 BFAB OC1(C(F)(F)F)CCc2ccccc2CC1 1772715266 KZZSZVBYZNCWIU-UHFFFAOYSA-N 230.229 2.859 0 40 BFAB Cc1ccc(C(=O)Nc2ccccn2)cc1C 29951 AQQVLXMXNOKDBH-UHFFFAOYSA-N 226.279 2.951 0 40 BFAB COC(=O)CSc1cc(C)nc2ccccc12 132741 QNJWFNICGDNCCT-UHFFFAOYSA-N 247.319 2.808 0 40 BFAB Cc1nc(CSc2nnc(C)s2)cs1 203055 RFKUZOGGDROWRA-UHFFFAOYSA-N 243.382 2.904 0 40 BFAB CC(C)CCCCC(C)(C)OC(=O)NC(N)=O 1716753 ABJPIKDVIJLZLV-UHFFFAOYSA-N 244.335 2.786 0 40 BFAB O=C(O)[C@@H](c1ccccc1)[C@H](O)C1CCCCC1 1733996 FELKSHAELBQVRN-UONOGXRCSA-N 248.322 2.796 0 40 BFAB CCOC(=O)[C@H](CN(CC)CC)c1ccccc1 1868533 QMEDZONMWKZZIW-CQSZACIVSA-N 249.354 2.675 0 40 BFAB O=Cc1ccc(-c2cc(F)cc(F)c2)nc1 2527583 FUTZKWZSLBADAF-UHFFFAOYSA-N 219.190 2.839 0 40 BFAB CC(=O)[C@H]1CC[C@H](c2ccccc2)CC1=O 3194815 JTWJDOHDQKMEDY-QWHCGFSZSA-N 216.280 2.728 0 40 BFAB O=C(Nc1ccc(F)c(F)c1)c1ccccn1 3451691 DAZIPVILAYQINA-UHFFFAOYSA-N 234.205 2.612 0 40 BFAB CC(=O)O[C@@H]1C[C@@H]2CC[C@]13CCCC[C@H]23 4538257 BSPSZYSOSCHMNE-LOWDOPEQSA-N 208.301 2.908 0 40 BFAB CCC(C)(C)C(=O)NCc1ccc(OC)cc1 4690680 TWZMOPPVEKJGIZ-UHFFFAOYSA-N 235.327 2.748 0 40 BFAB Cc1cccnc1NC(=S)NC1CCCC1 4741274 HOSNDKZUWHGYIM-UHFFFAOYSA-N 235.356 2.619 0 40 BFAB CCNC(=O)Nc1cn(CC)c2ccccc12 5265977 UAWGFQDEVRSRIA-UHFFFAOYSA-N 231.299 2.803 0 40 BFAB CC(C)NC(=O)Nc1nc2ccccc2s1 6364693 NCJRWSQYSLEKEI-UHFFFAOYSA-N 235.312 2.826 0 40 BFAB CCNC(=O)[C@H](CC)Oc1ccc(Cl)cc1 8558339 QIIMBJQQBCDUGY-NSHDSACASA-N 241.718 2.634 0 40 BFAB Cc1ccc(CNC(=O)[C@@H]2CC=CCC2)cc1 9836384 OIUAFWZGZLTRKD-CQSZACIVSA-N 229.323 2.968 0 40 BFAB Cc1c(CCCC(=O)O)c2ccccc2n1C 12372368 ZQKRHIPBVIFQQH-UHFFFAOYSA-N 231.295 2.894 0 40 BFAB O=C(C[C@H]1C=CCC1)Nc1ccccc1O 15518892 XLDCFSFHPOQNEY-JTQLQIEISA-N 217.268 2.687 0 40 BFAB Cc1cccc(N[C@H](C)C(=O)NC(C)(C)C)c1 20312472 NHVIHVYKHUXNSX-LLVKDONJSA-N 234.343 2.710 0 40 BFAB CC(C)Nc1ncccc1C(F)(F)F 20550992 NUGPXZYSXYTRBS-UHFFFAOYSA-N 204.195 2.921 0 40 BFAB N[C@H](C(=O)c1ccccc1)c1ccccc1 26506408 LKPGGRAYFGWREN-ZDUSSCGKSA-N 211.264 2.569 0 40 BFAB C[C@@H]1CCCN([C@@H]2OC(=O)c3ccccc32)C1 27662420 JYKDZGJVWHHXFP-ZWNOBZJWSA-N 231.295 2.588 0 40 BFAB CC(C)C(=O)N1CCc2sccc2[C@H]1C 32845624 PZISSVJDEKOXEE-SECBINFHSA-N 223.341 2.850 0 40 BFAB C[C@](O)(CN)c1ccc(-c2ccccc2)cc1 36155016 LITGHYMPJDZJFR-HNNXBMFYSA-N 227.307 2.520 0 40 BFAB C[C@H](Cc1ccccc1Br)C(=O)O 37462540 INYSKYAJTGOPPI-SSDOTTSWSA-N 243.100 2.712 0 40 BFAB COc1ccc(C(=O)C(F)(F)Cl)cc1 39054634 LMNLIHDEIICTBM-UHFFFAOYSA-N 220.602 2.710 0 40 BFAB O=C(CCCc1cccs1)NCc1ccco1 40459296 FNDJMGACPAJMFK-UHFFFAOYSA-N 249.335 2.980 0 40 BFAB Cc1cc(C(=O)N[C@@H](C)C2CC2)sc1C 40473052 VBMPMKDDPTZXQT-QMMMGPOBSA-N 223.341 2.893 0 40 BFAB CC[C@@H](C)c1ccc(OC2CNC2)cc1 42770002 ONVURXYSERTJTJ-SNVBAGLBSA-N 205.301 2.551 0 40 BFAB CS[C@@H](C)C(=O)N(C)Cc1sccc1C 42848127 AGUINXCCNBGPQM-VIFPVBQESA-N 243.397 2.766 0 40 BFAB Nc1cc(F)cc2cc(Br)cnc12 43463484 WJHVFHMFKGSUCV-UHFFFAOYSA-N 241.063 2.719 0 40 BFAB NCCc1ccc(Cl)cc1C(F)(F)F 44397980 QWHMUSWUKSFVDZ-UHFFFAOYSA-N 223.625 2.860 0 40 BFAB CC[C@H](C)C(=O)NCCc1cccc(F)c1 44895880 LVHGQQAYSAOIFN-JTQLQIEISA-N 223.291 2.531 0 40 BFAB Cc1ccc(C(=O)c2ccc(F)cc2F)cn1 45029092 UYDNQDHGDVXPPO-UHFFFAOYSA-N 233.217 2.899 0 40 BFAB CC[C@H]1CCCN(Cc2cc(C)no2)C1 48058054 QPMHTPNEOUDHKH-NSHDSACASA-N 208.305 2.605 0 40 BFAB CC(C)(C)c1cc(NC(=O)C2CCCC2)[nH]n1 48750497 LSKAFQKQQKARLN-UHFFFAOYSA-N 235.331 2.836 0 40 BFAB NC(=O)[C@]1(c2ccccc2)C[C@H]1c1ccccc1 51330282 BUIVWFXITQHJJQ-HOCLYGCPSA-N 237.302 2.597 0 40 BFAB C[C@@H](NCCc1cccs1)[C@@H](C)n1cccn1 69951284 WZNHZERPRUNSAT-VXGBXAGGSA-N 249.383 2.726 0 40 BFAB Cc1ccc(C)c(-c2nn3c(C)nnc3s2)c1 73638557 YKOZKBUEXGFAOL-UHFFFAOYSA-N 244.323 2.778 0 40 BFAB Nc1ccccc1-c1nc2cnccc2s1 83967682 IQKBOLYBDNOQEQ-UHFFFAOYSA-N 227.292 2.941 0 40 BFAB N[C@H]1CCc2ccc(C(F)(F)F)cc21 95831173 ZLXDFXSCHGSKFJ-VIFPVBQESA-N 201.191 2.651 0 40 BFAB in-vitro COc1ccc2c(c1)C1[C@@H]3[C@H]4C2[C@@H]2[C@H]([C@H]43)[C@@H]12 104291852 XLLZTEORNJNOQZ-LPPBENNPSA-N 210.276 2.628 0 40 BFAB CC1(C)C/C(=C/C(N)=O)c2ccccc2C1 109979040 DDRCJMRZOFQSKU-XFFZJAGNSA-N 215.296 2.528 0 40 BFAB CCc1ccc(C[C@@H](OC(C)C)C(=O)O)cc1 225044469 BSOIPHRZZVLVEK-CYBMUJFWSA-N 236.311 2.670 0 40 BFAB COC(=O)c1ccc(CC2CCCCC2)[nH]1 226024480 NDKQKMCWLIDLFN-UHFFFAOYSA-N 221.300 2.924 0 40 BFAB COc1cc(Cl)cc(C=O)c1Cl 258174530 QKKIQXFPVFTFJO-UHFFFAOYSA-N 205.040 2.815 0 40 BFAB CCNCc1cccc2ccnc(C)c12 1613667 PPCVGSORUZEQQQ-UHFFFAOYSA-N 200.285 2.653 0 40 BFAB O=P1(C(Cl)(Cl)Cl)OCCCO1 1713306 CEYVUFWUYHBCGT-UHFFFAOYSA-N 239.422 2.944 0 40 BFAB Cc1ccc(CC(=O)C(F)(F)F)cc1 2518007 HRNIGRXLWIIPRH-UHFFFAOYSA-N 202.175 2.669 0 40 BFAB c1coc(CSCc2cn3cccnc3n2)c1 3242448 IXSXGQYKFGAUOB-UHFFFAOYSA-N 245.307 2.756 0 40 BFAB CSc1ccc(Cl)c(C(=O)NC2CC2)c1 3408899 LURPLTWDYVKPCW-UHFFFAOYSA-N 241.743 2.954 0 40 BFAB CCOC(=O)/C(=C\c1ccccc1)N(CC)CC 5807516 OGXGGCUNOIPZKY-WYMLVPIESA-N 247.338 2.932 0 40 BFAB COc1ccc(N)cc1N1[C@H](C)CC[C@H]1C 8703843 JMLAXDLUMSEPQT-NXEZZACHSA-N 220.316 2.655 0 40 BFAB CCC[C@]12CCC(=O)N1Cc1ccccc1N2 9937092 BTVZSNQKHONKTQ-CQSZACIVSA-N 230.311 2.731 0 40 BFAB Cc1cccc(NC(=O)[C@H]2CC=CCC2)n1 12536827 XHPOORJQANBYMO-NSHDSACASA-N 216.284 2.685 0 40 BFAB Cc1ccc(OCCC2CCNCC2)cc1 14632395 OSSSTSRYUZCWRW-UHFFFAOYSA-N 219.328 2.764 0 40 BFAB CC(C)[C@H](N)c1nc2cccnc2n1C(C)C 15774325 DSXKPVFGUYCJMV-NSHDSACASA-N 232.331 2.668 0 40 BFAB CCOc1ccccc1[C@H](C)NC[C@H]1CCCO1 19963773 ULLNWEZOXSSGKJ-QWHCGFSZSA-N 249.354 2.915 0 40 BFAB CCCNC(=O)[C@@H](C)Nc1cccc(C)c1C 20312720 BBLKIIHEYSEMDG-GFCCVEGCSA-N 234.343 2.630 0 40 BFAB CC1(C)CCC[C@]2(C)[C@@H](CO)C(CO)=CC[C@H]12 27550897 KUTDAKOPPDXZDV-GZBFAFLISA-N 238.371 2.750 0 40 BFAB biogenic,in-vitro CCC(C)(C)NC(=O)c1cc(-c2ccco2)[nH]n1 29806895 ZVEAXGLZZCJHOW-UHFFFAOYSA-N 247.298 2.588 0 40 BFAB O=C(c1ccncc1)N1CCC[C@H]2CCCC[C@H]21 32819480 ZPNWDGQIKSHZCH-TZMCWYRMSA-N 244.338 2.876 0 40 BFAB O=C1CC2(CCCCC2)Oc2cc(O)cc(O)c21 34477942 RJIBQCUXRPWOCQ-UHFFFAOYSA-N 248.278 2.766 0 40 BFAB C[C@@H](CNC[C@H]1CCCN(C)C1)c1ccccc1 44534335 BYNMIHNXJRUOBA-LSDHHAIUSA-N 246.398 2.722 0 40 BFAB CC(C)(C)NC(=O)CCc1ccccc1F 47220395 GEMRVXRHBPPKTP-UHFFFAOYSA-N 223.291 2.673 0 40 BFAB CCN(CC)C(=O)[C@@H](C)Oc1ccccc1C 59369378 JRERIYLPCXITLO-GFCCVEGCSA-N 235.327 2.631 0 40 BFAB CNC[C@@H](OC)c1ccc(Cl)cc1Cl 62711513 TVENVRBOTAPVHA-SNVBAGLBSA-N 234.126 2.900 0 40 BFAB C[C@@H](NC1CCCCC1)C(=O)OC(C)(C)C 64219172 ATFTUHMGMWYQPO-SNVBAGLBSA-N 227.348 2.639 0 40 BFAB Cc1cccc2c1C(=O)N(C)[C@H](c1ccco1)N2 69349532 CJXLIGFCPGTOOI-CYBMUJFWSA-N 242.278 2.784 0 40 BFAB O[C@@H](c1ccoc1)c1cc(F)cc(F)c1 70533615 QZCWDUZIYZKZLI-NSHDSACASA-N 210.179 2.640 0 40 BFAB Nc1cc(F)ccc1OCCC(F)(F)F 70911628 NMICREOKDVLOKO-UHFFFAOYSA-N 223.169 2.739 0 40 BFAB FC(F)(F)c1cc(C(F)(F)F)nc(S)n1 71778918 PLBRVCYOZLTRFL-UHFFFAOYSA-N 248.151 2.803 0 40 BFAB Cc1cc(N)nc2ccc(Br)cc12 72206419 QLGFPNGJUSQEDW-UHFFFAOYSA-N 237.100 2.888 0 40 BFAB CNCc1cnc(N(C)c2ccccc2)cc1C 72223354 VJYOPOCKGQPRAS-UHFFFAOYSA-N 241.338 2.877 0 40 BFAB CNCc1ccc(SC(C)(C)C)nc1 72225755 DBYXOKNBYCZRNM-UHFFFAOYSA-N 210.346 2.692 0 40 BFAB c1cnc2ccc(CC3CCNCC3)cc2c1 72367586 PJUVMLMUAJILPL-UHFFFAOYSA-N 226.323 2.777 0 40 BFAB CC(C)CNC(=O)c1ccc2[nH]ccc2c1 74715561 JYZWGEKNMDXOPD-UHFFFAOYSA-N 216.284 2.554 0 40 BFAB COC(=O)c1cc(O)c2cccc(C)c2c1 82319709 JLEZODLMOCAUOI-UHFFFAOYSA-N 216.236 2.640 0 40 BFAB O=C(O)/C=C\c1csc(Br)c1 83327939 ABWWLOPATRVAAV-UPHRSURJSA-N 233.086 2.608 0 40 BFAB Cc1ccccc1CN[C@@H]1CCCOCC1 83425411 AKJJAOXRKGHHBV-CQSZACIVSA-N 219.328 2.654 0 40 BFAB O=C(O)C1(c2cc(F)cc(Cl)c2)CC1 84480764 AHFXJCMPUNURFP-UHFFFAOYSA-N 214.623 2.595 0 40 BFAB Cc1c(Br)cccc1CCC(=O)O 84551500 RRNSYMQKENSUCS-UHFFFAOYSA-N 243.100 2.775 0 40 BFAB Cc1cc(C)c(C(=O)N2C[C@H]3CCC[C@H]3C2)[nH]1 89568582 MDVSEXXHKZAOHL-TXEJJXNPSA-N 232.327 2.504 0 40 BFAB COc1ccccc1Nc1ncc(C)cc1N 90676500 INIAFCONQKCOPS-UHFFFAOYSA-N 229.283 2.724 0 40 BFAB CCc1ccc(CNc2ccc(N(C)C)cn2)o1 97019310 HZZKIQGRLSABGK-UHFFFAOYSA-N 245.326 2.915 0 40 BFAB CC(C)[C@H]1OC(=O)[C@@H]2CC[C@]1(C)OC2(C)C 100365158 VZOMVQNIIPKADB-CWSCBRNRSA-N 226.316 2.532 0 40 BFAB CCc1[nH]c2cc(F)ccc2c(=O)c1C 169109859 HNXQTCHATPVVCF-UHFFFAOYSA-N 205.232 2.538 0 40 BFAB Cc1nc(OCc2ccccc2)c(C(=O)O)s1 218268326 ZBNINEMCVNELGQ-UHFFFAOYSA-N 249.291 2.729 0 40 BFAB CCc1ccc(N[C@@H]2CCC[C@@H]2N)cc1 218879804 MBVRPHZLWBZIRL-QWHCGFSZSA-N 204.317 2.541 0 40 BFAB CCCOc1ccc2c(c1)c(CN)c(C)n2C 223756650 IRYWAWXDCSEKJP-UHFFFAOYSA-N 232.327 2.734 0 40 BFAB Cc1nn(C(C)C)c2c1CC[C@H](C1CC1)N2 225813592 SVYZNJCWUWTFLO-GFCCVEGCSA-N 219.332 2.909 0 40 BFAB Cc1cocc1C(=O)NC1CC2(CCC2)C1 628009763 YHAGIYUJPQQRNO-UHFFFAOYSA-N 219.284 2.651 0 40 BFAB Cc1nc2ccc3nc(N)sc3c2s1 243250 LINJMDWVMVEFLA-UHFFFAOYSA-N 221.310 2.797 0 40 BFAB COc1ccc2cc(C(=O)O)c(Cl)nc2c1 287836 BTVKBYHEJQZDQT-UHFFFAOYSA-N 237.642 2.595 0 40 BFAB CC(=O)OCCSc1ccc(Cl)cc1 1732413 HOIKWYAGEIOIGA-UHFFFAOYSA-N 230.716 2.995 0 40 BFAB CCOC(=O)c1c(C)c(C)c(C)[nH]c1=S 2692950 MSBBUBCWXLTXJM-UHFFFAOYSA-N 225.313 2.846 0 40 BFAB O=C(CCSCc1ccccc1)N1CCCC1 10616191 MXGGOTDQZATSNH-UHFFFAOYSA-N 249.379 2.932 0 40 BFAB Cc1ccc(C)c(OC[C@@H]2CCCNC2)c1 14631183 ZTHMZFJPWWTDJI-CYBMUJFWSA-N 219.328 2.682 0 40 BFAB Nc1cc(NC(=O)c2ccco2)ccc1Cl 19736453 GIEYDJPZTRKYKU-UHFFFAOYSA-N 236.658 2.768 0 40 BFAB CC[C@H](C)Nc1cc(OC)cc(OC)c1 19909733 YCLHCNPMUGUYOS-VIFPVBQESA-N 209.289 2.914 0 40 BFAB CCCc1noc(-c2ccc(Cl)nc2)n1 22120376 JOYIODGUAAZHNH-UHFFFAOYSA-N 223.663 2.738 0 40 BFAB CCc1ccc2nc(NC(N)=S)sc2c1 22124911 PLYSURHHAKFOOX-UHFFFAOYSA-N 237.353 2.514 0 40 BFAB COc1ccccc1[C@H](C)NC(=O)[C@H]1C[C@@H]1C 23530452 TXWFSBOJKQKTNF-NHCYSSNCSA-N 233.311 2.528 0 40 BFAB CN(C)c1ccc(-c2ccc(CN)cc2)cc1 31996971 KVSBNVSULYGSJO-UHFFFAOYSA-N 226.323 2.878 0 40 BFAB Cc1nc(-c2ccncc2)nc(Cl)c1C 34563759 SVJUNAJRFDNUHF-UHFFFAOYSA-N 219.675 2.809 0 40 BFAB in-vitro CN[C@H](c1cccnc1)c1ccc(F)c(F)c1 35494399 WGYMWGKOPIUFDN-ZDUSSCGKSA-N 234.249 2.669 0 40 BFAB in-vitro Clc1ccc(CO[C@@H]2CCNC2)cc1Cl 36142137 ZGVATXALPIYMBX-SECBINFHSA-N 246.137 2.872 0 40 BFAB CCOc1ccccc1CSc1nncn1C 36396120 HNCSHANICLWSET-UHFFFAOYSA-N 249.339 2.506 0 40 BFAB O=C(O)c1cc(Cl)ccc1OC(F)F 36894996 AYTCUQGQENXYEG-UHFFFAOYSA-N 222.574 2.640 0 40 BFAB in-vitro O=[S@@](O)c1c(Cl)cccc1Cl 39630627 PXFQJDOKMKEDQY-UHFFFAOYSA-N 211.069 2.574 0 40 BFAB COc1ccc([C@H](O)c2ccc(C)o2)cc1F 40263116 YWVPAIJRQXTBAM-ZDUSSCGKSA-N 236.242 2.817 0 40 BFAB c1coc(-c2n[nH]c(-c3cccs3)n2)c1 54700026 BLYKAOFPKOSVTA-UHFFFAOYSA-N 217.253 2.793 0 40 BFAB C[C@@H]1CCCCN1Cc1cccc(O)c1 62183927 KHMPYRXDRBTNHP-LLVKDONJSA-N 205.301 2.767 0 40 BFAB CN1COc2c(Cl)cc(Cl)cc2C1 72162135 WOBGQUOOABOYAX-UHFFFAOYSA-N 218.083 2.775 0 40 BFAB CCN1CCCC[C@@H]1c1cccnc1C 72211304 TZBRNZPVMYGCCA-CYBMUJFWSA-N 204.317 2.937 0 40 BFAB CC(C)N1CCCC[C@@H]1c1ccc(O)nc1 72212268 JVPVYEDCUBYHRU-GFCCVEGCSA-N 220.316 2.723 0 40 BFAB CC[C@H](N)c1ccc(Br)nc1C 72224004 ISZJMGRYDHDOSM-QMMMGPOBSA-N 229.121 2.562 0 40 BFAB COc1ccccc1-c1ccc(C(=O)O)c(C)n1 72417372 MSCVWXWEFRTSKN-UHFFFAOYSA-N 243.262 2.764 0 40 BFAB CCCCn1ccc([C@@H](C)NCCOC)c1 78406149 IBOCISOOAOIQCE-GFCCVEGCSA-N 224.348 2.585 0 40 BFAB CNC(=O)N1C[C@H](C)C[C@H]1c1cccc(F)c1 80597769 MPHUUXHBJIPKKJ-SKDRFNHKSA-N 236.290 2.548 0 40 BFAB CCN(CC(C)(C)O)C(=O)C1CCCCCC1 81746451 DEXNNQGHHLBJFM-UHFFFAOYSA-N 241.375 2.576 0 40 BFAB NC[C@H]1CCCCN1Cc1cccc(Cl)c1 85565233 VRXJFIYVRMSOSG-CYBMUJFWSA-N 238.762 2.653 0 40 BFAB in-vitro Cc1cccc([C@H](C)Sc2cn[nH]n2)c1 89669128 ZLEILELGHBPPOT-VIFPVBQESA-N 219.313 2.966 0 40 BFAB C[C@H]1CCCCN1Cc1ccc(C=O)cc1 95738619 HROYHAJNIGCHGG-LBPRGKRZSA-N 217.312 2.874 0 40 BFAB CCCC[C@H]1CC[C@H](C(CO)CO)CC1 100073957 QNSCHGZMOVVKCW-TXEJJXNPSA-N 214.349 2.584 0 40 BFAB COc1ccc([C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2N)cc1 100888726 BJNJVLZOLIJWSQ-VTPLQMEGSA-N 217.312 2.536 0 40 BFAB C[C@@]12CC[C@H](C(=O)C1)[C@@]1(C)CCCC(=O)[C@H]21 103051455 UEPGLNMUFRMDAW-ICGCDAGXSA-N 220.312 2.751 0 40 BFAB O=C(c1cc(Cl)c(Cl)cn1)C1CC1 252485750 HCVSVIVVNJJEOV-UHFFFAOYSA-N 216.067 2.981 0 40 BFAB CC(C)CN1CCCC[C@@H]1c1ccn[nH]1 257253636 JZRLVPUYMVIHSV-GFCCVEGCSA-N 207.321 2.593 0 40 BFAB Cc1c(CO)ccc(Br)c1Cl 306915154 VONVGGKPEUQYGQ-UHFFFAOYSA-N 235.508 2.903 0 40 BFAB O=C1CCC(=O)N1c1cc(Cl)cc(Cl)c1 101420 CFZLNRGUBAVQNO-UHFFFAOYSA-N 244.077 2.647 0 40 BFAB biogenic,in-vitro CC[C@@]1(C)C[C@]2(C=C[C@@H](O)CC2)CCO1 518757 MEELPUOSODYWIN-AGIUHOORSA-N 210.317 2.663 0 40 BFAB Cc1noc(C)c1C(=O)N(C)c1ccccc1 1403200 ZYIOGYMESNYJBL-UHFFFAOYSA-N 230.267 2.568 0 40 BFAB CCCc1nc(CCC)nc(CCC)n1 1724119 BBZCXXQQRGOUOW-UHFFFAOYSA-N 207.321 2.729 0 40 BFAB CSc1ncnc2c1cnn2-c1ccccc1 4341393 AQTIEZYJQMOLMG-UHFFFAOYSA-N 242.307 2.537 0 40 BFAB biogenic CC1=C[C@@H](C)[C@@H](C)[C@@H](C(=O)NCC(C)C)C1 4794962 ILWKDNXFTDQNAN-UPJWGTAASA-N 223.360 2.997 0 40 BFAB CC(C)(C)c1cc(O)cc(=O)n1-c1ccccc1 6493049 SNBQVFYHNUYCKI-UHFFFAOYSA-N 243.306 2.841 0 40 BFAB CC[C@@H](NC(=O)[C@@H]1C[C@@H]1C)c1ccccc1 6726774 YMQQSDJUYGKVDD-CYZMBNFOSA-N 217.312 2.910 0 40 BFAB Cc1ccccc1NC(=O)CN1CCC(C)CC1 7446990 AOLPTNUAZZQEMK-UHFFFAOYSA-N 246.354 2.665 0 40 BFAB CC(=O)Nc1ccc(OCc2cc(C)on2)cc1 7826892 ALOKTNVCLNXJEG-UHFFFAOYSA-N 246.266 2.520 0 40 BFAB CCOc1cc(CN[C@H](C)CC)ccc1OC 8325976 HHSKXBOXXDKGFB-LLVKDONJSA-N 237.343 2.982 0 40 BFAB CCC(C)(C)c1ccc(OCC(=O)O)cc1 8905531 YVDCGOWSUYVCSD-UHFFFAOYSA-N 222.284 2.838 0 40 BFAB in-vitro CCCn1cc(C[C@H](C)N)c2ccc(OC)cc21 8993608 GWPLSURXWIWLPI-NSHDSACASA-N 246.354 2.950 0 40 BFAB C[C@H]1[C@@H]2CCCC[C@]2(O)[C@@H]2CCC[C@H]1C2=O 12656831 HZMOLOUVPKADBE-YGEZULPYSA-N 222.328 2.543 0 40 BFAB biogenic Clc1ccc(OC[C@@H]2CCCNC2)cc1 14631236 CJVUFLCVHZSJIN-SNVBAGLBSA-N 225.719 2.718 0 40 BFAB O=C(O)c1c2c(nc3c(F)cccc13)CCCC2 20198658 ICEWNEGPZFLLSZ-UHFFFAOYSA-N 245.253 2.951 0 40 BFAB CC(C)c1cccc(NC(=O)N2CCOCC2)c1 27334925 MRBAKHZKKVKFQX-UHFFFAOYSA-N 248.326 2.674 0 40 BFAB C[C@@H](NC(=O)c1ccccc1F)c1ccccn1 28781099 GVSNKDGHOHRPFM-SNVBAGLBSA-N 244.269 2.712 0 40 BFAB O=C(O)[C@@H]1C[C@H]1c1cccc(Br)c1 31829289 WQKBKSZJAIBOED-DTWKUNHWSA-N 241.084 2.637 0 40 BFAB O=C(NCCc1ccccc1F)[C@@H]1CC=CCC1 32676244 KNNBRCSZICAAGB-CYBMUJFWSA-N 247.313 2.841 0 40 BFAB CN(Cc1ccc(Cl)cc1)C(=O)c1ccc[nH]1 32744549 HPVARFPPYQLTSM-UHFFFAOYSA-N 248.713 2.940 0 40 BFAB Cc1cc(C)c(CC2OCCO2)c(C)c1 43214481 IXJBBXJJGDQQHV-UHFFFAOYSA-N 206.285 2.527 0 40 BFAB Cc1c(F)cccc1-c1ccc(CO)o1 43321879 XGRBGWXITBLMHC-UHFFFAOYSA-N 206.216 2.886 0 40 BFAB Cc1ccc(-c2cnc(C(=O)O)s2)cc1 45206028 CFDXPRBSDLSTNG-UHFFFAOYSA-N 219.265 2.817 0 40 BFAB COCCCN1CCC[C@@H]1c1ccc(F)cc1 51375678 UYVOJSXEYLUUGU-CQSZACIVSA-N 237.318 2.999 0 40 BFAB Cc1ccc(O[C@@H](C)C(=O)N[C@@H](C)C(C)C)cc1 57160047 MMPBLLSLWDBPHS-STQMWFEESA-N 249.354 2.923 0 40 BFAB CCSc1nnc(-c2cccs2)n1C 58451777 ACIDIOSAMLSHEL-UHFFFAOYSA-N 225.342 2.656 0 40 BFAB Cc1cc(N2CCC[C@@H](C)C2)ccc1N 59233833 TUIRJNXXCYWNIU-SNVBAGLBSA-N 204.317 2.814 0 40 BFAB CCCNc1cc(Cl)ccc1C(=O)O 62787289 KFNCXYRVCUMNIQ-UHFFFAOYSA-N 213.664 2.860 0 40 BFAB NC1(c2ccc(C(F)(F)F)cc2)CCOCC1 63077081 IXJZJDSSYXVGEC-UHFFFAOYSA-N 245.244 2.670 0 40 BFAB Cc1c(Cl)nc(C2CC2)nc1Cl 71790336 AEKXEKPMZIZYLD-UHFFFAOYSA-N 203.072 2.969 0 40 BFAB in-vitro CN[C@H](C)CCc1c[nH]c2ccccc12 72210220 JSAGZFQIHHHUQJ-SNVBAGLBSA-N 202.301 2.708 0 40 BFAB CC[C@@H](OC)c1ccc([C@H](C)CN)cc1 72220216 HYEWOCWDJXWKFM-ZWNOBZJWSA-N 207.317 2.846 0 40 BFAB Cc1cc(C)c2[nH]cc(CCCO)c2c1 77596462 PTEOKNDIUVUZHU-UHFFFAOYSA-N 203.285 2.710 0 40 BFAB NC[C@H]1COc2c(Cl)cc(Cl)cc2C1 95743787 JNNBPNPIJUTADF-LURJTMIESA-N 232.110 2.503 0 40 BFAB Fc1nccc(Cl)c1Br 95763736 ZEJHJIKXWPRUSZ-UHFFFAOYSA-N 210.433 2.637 0 40 BFAB O=C1CCCc2ccccc2N1CC1CC1 96515823 MGVHAJHGLQKTHW-UHFFFAOYSA-N 215.296 2.766 0 40 BFAB CCN(CC(F)(F)F)C(=O)C[C@H]1C=CCC1 97263598 QNEACNONZSNSBX-VIFPVBQESA-N 235.249 2.754 0 40 BFAB O=C(NCCc1ccccc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102125670 YIFVFWQJUWDRFL-RBSFLKMASA-N 243.350 2.782 0 40 BFAB O=C(c1cc(Cl)ccc1O)C(F)(F)F 103555788 ZIEZOWUWNOVSDH-UHFFFAOYSA-N 224.565 2.791 0 40 BFAB in-vitro Cc1ccc(CO)n1-c1nc2ccccc2s1 223747701 SDGZKKHDBDNJON-UHFFFAOYSA-N 244.319 2.888 0 40 BFAB Cc1ccc(N2CCN[C@H]3CCCC[C@@H]32)cc1 225712834 JKKFKYFPQRLDGM-GJZGRUSLSA-N 230.355 2.716 0 40 BFAB O=C(CCC(F)(F)F)N1Cc2ccccc2C1 266308674 FPTDMCCLXCWPKZ-UHFFFAOYSA-N 243.228 2.871 0 40 BFAB Cc1csc(C(=O)Nc2ccc(F)cn2)c1 622315184 SQMPJPJLRXRKFC-UHFFFAOYSA-N 236.271 2.843 0 40 BFAB C[S@@](=N)(=O)Cc1ccc(Br)cc1 1565504816 NIQQYJJUPYEIKV-GFCCVEGCSA-N 248.145 2.626 0 40 BFAB COc1cc2ccc(C(C)=O)c(O)c2cc1OC 1563274 BFSKETWNUKZDFL-UHFFFAOYSA-N 246.262 2.765 0 40 BFAB O=C1Cc2ccccc2C2(CCCCC2)O1 1578042 NCDGAMRZINBRQX-UHFFFAOYSA-N 216.280 2.945 0 40 BFAB CN1[C@H]2CC[C@@H]1c1c([nH]c3ccccc13)C2 1612418 WYQXXIUOFPTASR-TVQRCGJNSA-N 212.296 2.859 0 40 BFAB CCOc1cc2c(cc1/C=C/C(=O)O)O[C@H](C)C2 4200349 IEVIGEWGDQZBOB-XNPJLODASA-N 248.278 2.507 0 40 BFAB CCc1ccc(Nc2ncnc(Cl)n2)s1 5477387 IFRZLFOVOSEQRR-UHFFFAOYSA-N 240.719 2.893 0 40 BFAB O=C1N=C2C=CC=CN2/C1=C/C=C/c1ccccc1 5584574 CWMKUDQJWPSZJE-UYQSWCAZSA-N 248.285 2.908 0 40 BFAB Cc1cnc(C(=O)Oc2cccc(Cl)c2)cn1 6212502 OKVFOHNFHPZHGQ-UHFFFAOYSA-N 248.669 2.658 0 40 BFAB Cc1n[nH]c(SCc2cccc(F)c2)n1 11658924 KOLQNXRSZYLMCC-UHFFFAOYSA-N 223.276 2.545 0 40 BFAB C[C@@H]1C[C@@H](C)CN([C@@H](C(=O)O)c2ccccc2)C1 11803275 MWFQTSRXJJVKFN-YRGRVCCFSA-N 247.338 2.790 0 40 BFAB Cc1ccnc(NC(=O)[C@H]2CC=CCC2)c1 12536808 PEFQYUDKMVVEEY-NSHDSACASA-N 216.284 2.685 0 40 BFAB CSc1nnc(-c2cccc(C)c2)n1C 12916930 ZBYUITRKVLSKQZ-UHFFFAOYSA-N 219.313 2.512 0 40 BFAB C[C@@H]1C[C@H]1C(=O)Nc1ccccc1Cl 14373335 JUIGCSWMUCBRRG-HTQZYQBOSA-N 209.676 2.935 0 40 BFAB O=C(c1ccoc1C(F)(F)F)N1CCCC1 16756812 XAXDPPPDAIQXHN-UHFFFAOYSA-N 233.189 2.534 0 40 BFAB COc1cc2c(cc1OC)C(=O)CCCC2 19726989 NTIRRHBDKLOJTR-UHFFFAOYSA-N 220.268 2.613 0 40 BFAB O=C(O)Cc1cc2cc(Cl)ccc2o1 20389655 NULLDEMRVPOVOV-UHFFFAOYSA-N 210.616 2.713 0 40 BFAB CCOc1ccccc1[C@H]1C[C@@H]1[C@@H](C)O 20392355 CBFYMQPYNYGCPF-YUSALJHKSA-N 206.285 2.570 0 40 BFAB C[C@@H](NCc1ccccc1)C(F)(F)F 34071249 BDFXCYINJQZXHU-MRVPVSSYSA-N 203.207 2.727 0 40 BFAB O=C(O)c1cccn1-c1ccc(F)cc1Cl 35431493 JZCGOTCLYNWMCG-UHFFFAOYSA-N 239.633 2.968 0 40 BFAB Cc1cc(C(=O)N2c3ccccc3C[C@H]2C)on1 36697999 LSVCYSNNHWCCBQ-SNVBAGLBSA-N 242.278 2.574 0 40 BFAB CCC[C@@H](C)CNc1cccnc1OC 37070288 DGTYRGLLGZOVFM-SNVBAGLBSA-N 208.305 2.938 0 40 BFAB C[C@H](OCc1ccccc1)C(=O)NC(C)(C)C 40516078 SYWMUMLXGCNUSM-NSHDSACASA-N 235.327 2.506 0 40 BFAB CC(C)CCN(C(=O)CC(F)(F)F)C1CC1 42768454 DLUGPOBVWNXPPJ-UHFFFAOYSA-N 237.265 2.976 0 40 BFAB Cc1csc(SC[C@@H]2CCCNC2)n1 43471671 TTXSRCDTILAIEW-SECBINFHSA-N 228.386 2.543 0 40 BFAB C[C@@H](C1CC1)N(C)C(=O)C1CCCCC1 58368137 KUDSCBAXWUZHCW-JTQLQIEISA-N 209.333 2.824 0 40 BFAB Cc1cc(Br)ccc1OC[C@H]1CO1 63061886 LLGVTBVOLLSFLV-SECBINFHSA-N 243.100 2.535 0 40 BFAB CC(C)c1cncc(Br)c1 72193473 CBHRRNLHWWFNCS-UHFFFAOYSA-N 200.079 2.968 0 40 BFAB in-vitro Cc1cc([C@@H]2CCCCN2)cnc1Cl 72217792 OFHPQKDEULZUGP-JTQLQIEISA-N 210.708 2.858 0 40 BFAB CCc1cnc(CN2C[C@H]3CC=CC[C@@H]3C2)o1 75768010 AHCDERNGUXJEHD-VXGBXAGGSA-N 232.327 2.635 0 40 BFAB CCCN(CC(=O)O)c1ccc(Cl)cc1C 76624187 WZFFCVZBBYNAGX-UHFFFAOYSA-N 241.718 2.949 0 40 BFAB CCCn1ccc([C@H](C)NCCCOC)c1 78406205 SGWJMONXSRVVNI-LBPRGKRZSA-N 224.348 2.585 0 40 BFAB CC1=CC2=C(C)N(C)[C@@]3(C)CC[C@@]2(C3)N1C 78582809 OPQPFEQHBYUFBM-KBPBESRZSA-N 218.344 2.736 0 40 BFAB biogenic C[C@@H](O)c1ccc(Br)cc1F 78803098 MASZUNQDCHMJEP-RXMQYKEDSA-N 219.053 2.642 0 40 BFAB in-vitro Cc1ccc2c(CC(=O)O)coc2c1F 85399645 PJZHWQVPCSOUQS-UHFFFAOYSA-N 208.188 2.507 0 40 BFAB CCOc1c(Cl)ccc(CC(=O)O)c1F 91252024 JLMJTUGWXPDCKF-UHFFFAOYSA-N 232.638 2.505 0 40 BFAB Fc1cc(OCc2ccccc2)ccn1 91301332 UHYQXPXLOCDLDN-UHFFFAOYSA-N 203.216 2.800 0 40 BFAB O=C(c1nccs1)c1ccc(F)cc1F 95739883 VMMVNQLBJGXXDC-UHFFFAOYSA-N 225.219 2.652 0 40 BFAB C[C@@H](C[S@](C)=O)N(C)CC1CCCCCC1 97161727 MHAFJMQSUSNTMC-BLLLJJGKSA-N 245.432 2.656 0 40 BFAB CC(C)(C)CCN[C@H]1CC[C@@H](CO)CC1 102318144 BMONBDLCSWRHDY-HAQNSBGRSA-N 213.365 2.563 0 40 BFAB Cc1cccc(C(=O)OCCCC(F)(F)F)n1 157567166 SZWRPCRATAYFRB-UHFFFAOYSA-N 247.216 2.889 0 40 BFAB CC[C@@H](NN)c1ccc(F)c(C(F)(F)F)c1 161800849 LHNDHWHYTKDYTL-SECBINFHSA-N 236.212 2.759 0 40 BFAB CO[C@@H](C)[C@H](C)NC[C@H](C)c1ccccc1 194841878 MXKYFMSRBKHODR-AVGNSLFASA-N 221.344 2.803 0 40 BFAB CC(C)OCCC[S@@](=O)c1cccc(F)c1 195579610 LBLLTYGNWYNOEJ-MRXNPFEDSA-N 244.331 2.748 0 40 BFAB CSC1C[C@@H]2CC[C@H](C1)N2C(=O)C1CCC1 217587777 HJPMMMLFFPHQKX-FOSCPWQOSA-N 239.384 2.672 0 40 BFAB CCOC(=O)N(Cc1ccccc1)C1CC1 56466 OGXBVBBMMWSZJO-UHFFFAOYSA-N 219.284 2.808 0 40 BFAB in-man O=c1sc2c(s1)SCCCS2 189638 PXNCTRSVBUZLSI-UHFFFAOYSA-N 222.381 2.758 0 40 BFAB CCc1ccc(OCC(=O)N2CCCCC2)cc1 486827 NWXWQKFUSIRDFR-UHFFFAOYSA-N 247.338 2.640 0 40 BFAB COC(=O)CC(=O)c1ccc(C(C)(C)C)cc1 4242273 SZYLQWHNAKARMD-UHFFFAOYSA-N 234.295 2.730 0 40 BFAB CCCSc1nsc(NC(=O)CCC)n1 4902399 VHSAIAORMGCWFP-UHFFFAOYSA-N 245.373 2.779 0 40 BFAB CCc1c(C)sc2[nH]c(=S)n(C)c(=O)c12 5695522 PSWVENDUIKCYAY-UHFFFAOYSA-N 240.353 2.528 0 40 BFAB O=c1oc2c(Cl)cc(O)c(Cl)c2s1 6646038 MEOZUDFNJHCVAF-UHFFFAOYSA-N 237.063 2.867 0 40 BFAB Cc1ccc(Cl)cc1NC(C)(C)C(=O)O 8730721 AOTVJMUTEAPHQH-UHFFFAOYSA-N 227.691 2.924 0 40 BFAB Cc1ccc2[nH]c(CCCCC(=O)O)nc2c1 11735083 JOWWRQJYXCTXTK-UHFFFAOYSA-N 232.283 2.669 0 40 BFAB Nc1cccc(C(=O)Nc2ccccc2F)c1 11737152 RVGBAASORPVMFP-UHFFFAOYSA-N 230.242 2.660 0 40 BFAB CCc1cc(=O)oc2c(C)c(O)c(C(C)=O)cc12 12899283 IZBIJJZGQXKOTC-UHFFFAOYSA-N 246.262 2.572 0 40 BFAB biogenic CC(C)CNC(=S)Nc1cccnc1Cl 13838488 ZUFHBLCPCKZTTP-UHFFFAOYSA-N 243.763 2.677 0 40 BFAB Cc1cccc(NC[C@H]2CCOC2)c1C 19964328 WWHZWRQNMDTZJH-GFCCVEGCSA-N 205.301 2.752 0 40 BFAB COc1ccc(C(=O)OC2CCCCC2)cc1N 20155878 XBZPTWFBDKQQOJ-UHFFFAOYSA-N 249.310 2.767 0 40 BFAB CCc1cc(Cl)nc(N2CCC(C)CC2)n1 22073614 HBEFHOJCPUSPSK-UHFFFAOYSA-N 239.750 2.929 0 40 BFAB Cc1ccsc1C(=O)Nc1ccncc1 22519701 GURJRSCFQPWPLR-UHFFFAOYSA-N 218.281 2.704 0 40 BFAB C[C@H]1c2cccn2CCN1C(=O)c1ccccc1 29378916 UJCHSUGGKHCFNB-LBPRGKRZSA-N 240.306 2.705 0 40 BFAB O=Cc1ccc(C2(C(F)(F)F)N=N2)cc1 34485055 MLXUIWNFGIROFY-UHFFFAOYSA-N 214.146 2.680 0 40 BFAB in-vitro CN(CC[C@H]1CCCCN1)C1CCCCC1 34972504 PTKLZJHYEPWSHC-CYBMUJFWSA-N 224.392 2.783 0 40 BFAB CCN[C@@H](Cc1ccccn1)c1ccccc1 37535403 SPBDLAUONJHXNB-HNNXBMFYSA-N 226.323 2.975 0 40 BFAB Cc1nc(C2CCCC2)sc1C(=O)O 37996355 WZSPRJATXFKXHP-UHFFFAOYSA-N 211.286 2.807 0 40 BFAB in-vitro CCCn1ccnc1SC[C@@H]1CCCCO1 40473919 HFUJSNJHRNVYJI-NSHDSACASA-N 240.372 2.954 0 40 BFAB CCOC(=O)c1cc2c(F)c(F)ccc2[nH]1 43220576 MKPIGDPELRNWBB-UHFFFAOYSA-N 225.194 2.623 0 40 BFAB in-vitro COc1ccc(/C=C/C(=O)O)cc1C(F)(F)F 44214332 IOINNBJLNHLSHD-HWKANZROSA-N 246.184 2.812 0 40 BFAB CCc1ccccc1O[C@@H](C)C(=O)NCC(C)C 44948992 VFDSWFHSLDJHGY-LBPRGKRZSA-N 249.354 2.789 0 40 BFAB COc1ccccc1C(=O)c1ncccc1C 45028653 OLVCZFSZYUCEQT-UHFFFAOYSA-N 227.263 2.630 0 40 BFAB CCC(=O)Nc1ccc(OC(F)(F)F)cc1 45480404 XZINLVGCSUYZLS-UHFFFAOYSA-N 233.189 2.934 0 40 BFAB CCc1ccc(NCC(=O)N2CCCCC2)cc1 58374123 OMBHEHSWKPNEBS-UHFFFAOYSA-N 246.354 2.673 0 40 BFAB CC(C)=CC(=O)N[C@@H](C)Cc1cccs1 69531386 YHGKSEIUDRCBHX-JTQLQIEISA-N 223.341 2.762 0 40 BFAB c1cnc2c(CC3CCNCC3)cccc2c1 72367585 GENROBJPEYAUGJ-UHFFFAOYSA-N 226.323 2.777 0 40 BFAB CCOC(=O)CCOc1ccc(Cl)cc1F 75881251 JWLIMZSNVGZJNR-UHFFFAOYSA-N 246.665 2.811 0 40 BFAB Cc1cc(C)c2c(C)c(C(=O)O)[nH]c2c1 82592544 AQQQJQXOHCZKFB-UHFFFAOYSA-N 203.241 2.791 0 40 BFAB Cc1ccc(Oc2cccc(CNN)c2)cc1 83326449 ULTPNMDRVVVLHA-UHFFFAOYSA-N 228.295 2.751 0 40 BFAB O=C(NCCc1ccc(F)cc1Cl)C1CC1 84344193 XSDBAHKQKTZIHZ-UHFFFAOYSA-N 241.693 2.548 0 40 BFAB NCc1cccc(Br)c1Cl 84493796 YHAIHXQAESJVGO-UHFFFAOYSA-N 220.497 2.561 0 40 BFAB in-vitro CCCCNCC[C@H]1CCCC[C@@H]1OC 85396088 SCTXUOYWBFRWKD-OLZOCXBDSA-N 213.365 2.971 0 40 BFAB FC(F)(F)c1ccnc(NN2CCCCC2)c1 95081586 VFDHEZTTYMHQMK-UHFFFAOYSA-N 245.248 2.913 0 40 BFAB c1ccc(N[C@@H]2CCOC3(CCCC3)C2)nc1 95425687 RTNRWYITFPQPCJ-GFCCVEGCSA-N 232.327 2.985 0 40 BFAB COc1cc(C(=O)C(C)C)cc(F)c1F 95739855 RBPXDRGSALGJBZ-UHFFFAOYSA-N 214.211 2.812 0 40 BFAB CC[C@@H](C)Nc1cccc(CN2CCOCC2)c1 95991587 UQHKNBPVSHORGG-CYBMUJFWSA-N 248.370 2.729 0 40 BFAB C=COCCOC(=O)c1ccc2ccccc2n1 97113107 LEMJCVHSZXEYHC-UHFFFAOYSA-N 243.262 2.552 0 40 BFAB Cc1nc2cc(Cl)cc([N+](=O)[O-])c2o1 149967312 QFXOUCXQMAEKFE-UHFFFAOYSA-N 212.592 2.698 0 40 BFAB CCc1cccc2c(NCCCNC)ccnc12 222677632 HGUIEJOISHCNOO-UHFFFAOYSA-N 243.354 2.819 0 40 BFAB CCn1ccs/c1=N\C(=O)c1ccc(C)cc1 408564079 XMRUVSDRZLEIDT-YPKPFQOOSA-N 246.335 2.619 0 40 BFAB CC(C)c1cnc(-c2cnc3ccnn3c2)s1 585124232 KRVRKLNPMCLAHI-UHFFFAOYSA-N 244.323 2.976 0 40 BFAB Fc1cnc(O[C@@H]2CCc3ccccc32)nc1 585651079 KALGQPGNPIOTAV-GFCCVEGCSA-N 230.242 2.682 0 40 BFAB CC(C)c1cnn(Cc2ccccc2)c1N 642882886 JOBPUJJLVFCRJR-UHFFFAOYSA-N 215.300 2.637 0 40 BFAB CC[C@H](C)OC(=O)OCCOCC(F)(F)F 1083809188 UVBUMZOWHFOWPI-ZETCQYMHSA-N 244.209 2.517 0 40 BFAB CCC(=O)Nc1nc2c(C)cccc2s1 190887 KXUFVSRXJGHXRE-UHFFFAOYSA-N 220.297 2.953 0 40 BFAB C[C@H]1CCC2(CCN(CCCN(C)C)CC2)C1 1621346 QGHXAGOEEIKNCZ-AWEZNQCLSA-N 238.419 2.840 0 40 BFAB CCNc1ncnc2c1cnn2C1CCCCC1 1679219 URMADHLLGFFHPT-UHFFFAOYSA-N 245.330 2.763 0 40 BFAB O=Cc1cccc(-c2ccccc2C(=O)O)c1 2525618 ZNULJIUYCWDSRX-UHFFFAOYSA-N 226.231 2.864 0 40 BFAB CCC(CC)NCc1ccc(OC)c(OC)c1 4703384 GJOYJWCWLJIUIA-UHFFFAOYSA-N 237.343 2.982 0 40 BFAB Cc1nc(COc2ccccc2)sc1C(=O)O 5175353 JPXSHGOKVQXIJD-UHFFFAOYSA-N 249.291 2.729 0 40 BFAB C[C@@H](CNCc1ccccc1)C(=O)OC(C)(C)C 6437191 RFKHZTRHESXVAX-LBPRGKRZSA-N 249.354 2.754 0 40 BFAB CC[C@@H]1CSC(Nc2ccccc2OC)=N1 6910764 YGJZHMZXLORZDM-SECBINFHSA-N 236.340 2.989 0 40 BFAB O=C(O)CCCOc1ccc(C(F)(F)F)cc1 13609353 SIIAHAGVOPYLBO-UHFFFAOYSA-N 248.200 2.949 0 40 BFAB C/C(=C/c1ccc(/C=C(\C)[N+](=O)[O-])cc1)[N+](=O)[O-] 31673095 YDRFYIMGSXCFJK-FKJILZIQSA-N 248.238 2.962 0 40 BFAB Oc1ccccc1Nc1ccccc1O 34077813 CEBHOSWXDMDTSJ-UHFFFAOYSA-N 201.225 2.841 0 40 BFAB CCOc1c(Cl)cc(N)cc1Cl 34515000 JCYWFHRQFXSCCN-UHFFFAOYSA-N 206.072 2.974 0 40 BFAB in-vitro Nc1ccc(SCC(F)(F)F)cc1 34597312 OQEQFNOQDBQLGX-UHFFFAOYSA-N 207.220 2.923 0 40 BFAB Cc1cccc(-c2ccc(S(=O)(=O)O)cc2)c1 36294287 ADAKMYBJTQFVMB-UHFFFAOYSA-N 248.303 2.909 0 40 BFAB COc1ccc(OCC(C)C)c(C=O)c1 37022106 KSLGKUGQJOCHMP-UHFFFAOYSA-N 208.257 2.543 0 40 BFAB CCc1nc(CN2CCC(C)CC2)cs1 40049527 ZXGUIAUZCPXOBS-UHFFFAOYSA-N 224.373 2.937 0 40 BFAB Cc1cc(Br)c2oc(O)nc2c1 41568914 YGMFEJPRDVEMNK-UHFFFAOYSA-N 228.045 2.604 0 40 BFAB COc1cccc(C(=O)c2cc(C)ccc2C)n1 45028773 NKQGMAOMIXBBOT-UHFFFAOYSA-N 241.290 2.938 0 40 BFAB CC(=O)N1CC[C@H](c2nc3ccccc3s2)C1 49168676 OOHXXBDIHBCQMJ-JTQLQIEISA-N 246.335 2.632 0 40 BFAB biogenic,in-vitro CC[C@@H](CN)Cc1cccc(Br)c1 52947312 MBPLZUDQKMLNDK-SECBINFHSA-N 242.160 2.977 0 40 BFAB in-vitro CCCN1CCCC[C@H]1c1ccc(N)nc1 72212379 ZALWXEXEMMPSQM-LBPRGKRZSA-N 219.332 2.601 0 40 BFAB COC(=O)[C@H](C)c1ccc(Br)s1 72266358 OHMOCGWWYBEKKW-RXMQYKEDSA-N 249.129 2.787 0 40 BFAB in-vitro CCN(C)C(=O)c1oc2c(F)cccc2c1C 78278567 JGXVPGJPKNUKQR-UHFFFAOYSA-N 235.258 2.972 0 40 BFAB CC[C@@H](C)CN(CC)Cc1cnc(C)cn1 79014200 KCHWGPQZIFBQPK-LLVKDONJSA-N 221.348 2.653 0 40 BFAB CC[C@@H](CCOC)CNCC1CCCC1 85396117 FJAUKCUZKHWDCC-LBPRGKRZSA-N 213.365 2.829 0 40 BFAB Nc1cccc([C@H]2C[C@@H]2C(F)(F)F)c1 95628910 RGMSYPHSYJUPSR-BDAKNGLRSA-N 201.191 2.935 0 40 BFAB CN(C)C12C[C@@H]3C[C@H](CC(Cl)(C3)C1)C2 100153352 PXWWJPYCWJIXCB-QYNFOATHSA-N 213.752 2.878 0 40 BFAB Cc1ccc(NC(=O)[C@H]2C[C@@H]3CC[C@@H]2C3)nc1 102092451 PDDLHYIRLMYPHK-UTUOFQBUSA-N 230.311 2.765 0 40 BFAB C[C@@H](Cc1ccco1)NC(=O)[C@H]1C[C@H]2CC[C@H]1C2 105642971 NWDHQGZLEDTXGH-MNXVOIDGSA-N 247.338 2.763 0 40 BFAB Nc1ccc2c(c1)Oc1cc(N)ccc1C2 114451287 WRCZSYNKKSWEFM-UHFFFAOYSA-N 212.252 2.548 0 40 BFAB CCN(CC)CCCCOc1ccc(C=O)cc1 217793283 BWEGZTZHJOTKTD-UHFFFAOYSA-N 249.354 3.000 0 40 BFAB Cc1cc2ncn(Cc3ccccc3)c2cc1N 223769432 FFQRBIKKCNWVRA-UHFFFAOYSA-N 237.306 2.975 0 40 BFAB CCCN(c1ccc(C)c(C)c1)[C@@H](C)C(=O)O 224984077 FZWGWFSZXCWQBQ-LBPRGKRZSA-N 235.327 2.993 0 40 BFAB CC(C)(c1ccc(N)cn1)C(F)(F)F 256049794 BLULQZXIXVOWJI-UHFFFAOYSA-N 204.195 2.504 0 40 BFAB COc1cc2c(cc1C)[C@H]1ON=C[C@@H]1CC2 408722125 FCYFANLEKNPWAY-GWCFXTLKSA-N 217.268 2.623 0 40 BFAB CC(C)(C)C(=O)NC1CCC(n2cccn2)CC1 675007728 LDXJDRRXWNVVSL-UHFFFAOYSA-N 249.358 2.529 0 40 BFAB Cc1cn(C)c2cc(Br)cnc12 952959248 WYZFFKZNMKAVLF-UHFFFAOYSA-N 225.089 2.644 0 40 BFAB C[n+]1cc(C(=O)c2ccccc2)c2ccccc2c1 1578094 QOEOADXIZGUFOR-UHFFFAOYSA-N 248.305 2.895 0 40 BFAB COc1ccc2[nH]cc(CCN3CCCC3)c2c1 1604328 KAASYKNZNPWPQG-UHFFFAOYSA-N 244.338 2.815 0 40 BFAB CC1(C)COC2(CC(C)(C)OC2(C)C)OC1 1677942 XTKOBCYSVPGDDO-UHFFFAOYSA-N 228.332 2.733 0 40 BFAB O=C(/C=C/c1cccs1)Nc1nccs1 2736276 HXJMWXZUPOLKIM-ONEGZZNKSA-N 236.321 2.857 0 40 BFAB CCNC(=N)COc1cc(Cl)ccc1Cl 3163871 FGTUOZGDHAXDKI-UHFFFAOYSA-N 247.125 2.959 0 40 BFAB Cc1nc(-c2ccccc2)sc1CC(=O)O 3608420 RWYONVYVVYSLDV-UHFFFAOYSA-N 233.292 2.746 0 40 BFAB O=C(Nc1cccnc1)N1CCc2ccccc21 9379131 ODXHNGJYIWHPAG-UHFFFAOYSA-N 239.278 2.676 0 40 BFAB in-vivo Cc1oc(C)c(C(=O)NCc2ccncc2)c1C 12537290 BBZAIIRNHSCTLK-UHFFFAOYSA-N 244.294 2.530 0 40 BFAB C1CCC(CCO[C@H]2CCCNC2)CC1 14631545 AHSCVVVXCNHNDZ-ZDUSSCGKSA-N 211.349 2.725 0 40 BFAB in-vitro CCOc1ccc([C@@H](C)NCCCOC)cc1 20142521 BQULLDDEZMWFSQ-GFCCVEGCSA-N 237.343 2.772 0 40 BFAB CSc1cccc(NC(=O)c2cccn2C)c1 32978800 CCVWTPXUJXUMPZ-UHFFFAOYSA-N 246.335 2.999 0 40 BFAB CCOC(=O)C[C@H]1CCOc2ccccc21 34247021 UKJHGKSYAFMJHL-SNVBAGLBSA-N 220.268 2.506 0 40 BFAB Cc1ccc(C(=O)Nc2ncc(C)o2)cc1 34469657 TWEPKJWGWYUYJG-UHFFFAOYSA-N 216.240 2.544 0 40 BFAB CCn1ncc2c(C(F)F)cc(C)nc21 36616730 KFFYTVGZYYINIL-UHFFFAOYSA-N 211.215 2.697 0 40 BFAB CC(C)(C)OC1(C(=O)O)CCCCC1 41955007 BQUZJOLHQSXMOP-UHFFFAOYSA-N 200.278 2.589 0 40 BFAB CC(C)=CC(=O)NC[C@@H](C)N(C)c1ccccc1 46951357 DUTCOXULIWQIDK-CYBMUJFWSA-N 246.354 2.594 0 40 BFAB Cc1nc(C)c([C@H](C)NC(=O)C(C)C)s1 48815541 ZECWVBZTKUPZEE-QMMMGPOBSA-N 226.345 2.593 0 40 BFAB CCO[C@@H](CNC)c1ccc(Cl)cc1 50481905 AJCXALHBXOCLHU-NSHDSACASA-N 213.708 2.637 0 40 BFAB COc1ccc(C(C)=O)cc1OC(C)C 59228804 PDTUUOTWDJKLSZ-UHFFFAOYSA-N 208.257 2.685 0 40 BFAB C[C@@H]1C(=O)[C@H](C)CN(Cc2ccccc2)[C@@H]1C 68592649 FUZDNZXGTGKHSR-FRRDWIJNSA-N 231.339 2.732 0 40 BFAB Cc1ccn(Cc2ccc(Cl)cc2)c(=O)c1 69981128 NNEFCGCXCPJESB-UHFFFAOYSA-N 233.698 2.858 0 40 BFAB c1ccc(C[C@@H]2COCC3(CCCC3)N2)cc1 71413810 RIKPMSXGMQAXAH-CQSZACIVSA-N 231.339 2.530 0 40 BFAB CNc1ncccc1[C@@H]1CCCN1C(C)C 72212536 LGOHFEFREHQSCM-LBPRGKRZSA-N 219.332 2.669 0 40 BFAB Cc1nc(N2CCCC2)ccc1[C@@H]1CCCN1C 72218905 DSKBNCOHDBSCOK-AWEZNQCLSA-N 245.370 2.757 0 40 BFAB CCCNc1cc(C)c(C(=O)CC)cn1 72223205 AJQDESDGOAYRCC-UHFFFAOYSA-N 206.289 2.805 0 40 BFAB COC(=O)Cc1ccc2nc(C)cc(C)c2c1 82777220 RYWQICTXOBKEAG-UHFFFAOYSA-N 229.279 2.567 0 40 BFAB CCC[C@@H]1CN(C(=O)OC(C)(C)C)CCC1=O 90423996 NKFIUBSEBGYGEF-SNVBAGLBSA-N 241.331 2.613 0 40 BFAB Cc1ccnc(NC(=O)N2C[C@H]3CCC[C@@H]3C2)c1 97372791 AANYGDVYYWPEBS-VXGBXAGGSA-N 245.326 2.654 0 40 BFAB COc1ccc(Cn2ccccc2=O)c(Cl)c1 98016504 BKHKIMKBXJTGRF-UHFFFAOYSA-N 249.697 2.559 0 40 BFAB Cc1ccc(F)cc1CN[C@@H]1C[C@H]2CC[C@@H]1O2 129093262 UONWEWRDJGPRJA-MCIONIFRSA-N 235.302 2.544 0 40 BFAB CCn1cc(Cc2cccc(Cl)c2)nc1N 199550143 QUNNSNBLJYACEU-UHFFFAOYSA-N 235.718 2.729 0 40 BFAB COc1ccc(CC(=O)N[C@@H](C)C(C)C)cc1C 225231815 IMHVXZHASACJBC-LBPRGKRZSA-N 249.354 2.707 0 40 BFAB CCCCCNCc1ccnn1C(C)C 256052618 OBCVNZSNQFUTTQ-UHFFFAOYSA-N 209.337 2.744 0 40 BFAB CC(=O)c1cnc(C(F)(F)F)cc1C 299803972 NXSDUAOGHRIINY-UHFFFAOYSA-N 203.163 2.611 0 40 BFAB C[C@@H](O)c1cnc([Si](C)(C)C(C)(C)C)s1 382728849 SNUGOCGKDHYODQ-MRVPVSSYSA-N 243.448 2.912 0 40 BFAB Cc1noc(C)c1-c1cscc1CO 665148155 JEQNVUQASXEMMA-UHFFFAOYSA-N 209.270 2.512 0 40 BFAB O=C(c1ccccc1Cl)n1cc(Cl)cn1 37161 JPCNAVHGWAJRRU-UHFFFAOYSA-N 241.077 2.878 0 40 BFAB CCC1=C(C)[C@H](c2ccccc2)NC(=S)N1 128239 SELDAKJWYJEBBF-GFCCVEGCSA-N 232.352 2.889 0 40 BFAB COC(=O)[C@H](OC)c1ccc2ccccc2c1 1732216 XWWLSMSDYNKMIM-CYBMUJFWSA-N 230.263 2.700 0 40 BFAB CN(C)CC(C)(C)C(=O)c1ccc(F)cc1 1735254 UJLROQUZWIPOLT-UHFFFAOYSA-N 223.291 2.596 0 40 BFAB Cc1ccc(NC(=O)CN2CCC(C)CC2)cc1 3583267 GPBNDMLLOQFXSL-UHFFFAOYSA-N 246.354 2.665 0 40 BFAB C[C@H]1CO[C@@H](C[C@@H](C)c2ccccc2)O1 4184275 JVVKHPVHCMSPGX-NTZNESFSSA-N 206.285 2.942 0 40 BFAB C1CC[C@@H]2S[C@@H]3CCCC[C@H]3N[C@H]2C1 5480404 MGTISLRHMWCSLR-BKUVIOGVSA-N 211.374 2.945 0 40 BFAB Cc1ccc(NC(=O)c2ccccn2)c(F)c1 8406673 ZEISXHFUTXGXAJ-UHFFFAOYSA-N 230.242 2.781 0 40 BFAB CCc1cc(=O)[nH]c(Nc2ccc(Cl)cc2)n1 11903424 YSUWZFFOGJSLKK-UHFFFAOYSA-N 249.701 2.729 0 40 BFAB O=C(NCCc1ccc(F)cc1)c1ccsc1 12875301 BEXGXHIVALUVNP-UHFFFAOYSA-N 249.310 2.860 0 40 BFAB CCOC(=O)c1cc2cc(F)c(F)cc2[nH]1 14984990 OVSOYWROLOCQIS-UHFFFAOYSA-N 225.194 2.623 0 40 BFAB in-vitro O=C(O)[C@@H](c1ccccc1Cl)N1CCCC1 16771215 ITXFRQRMGXQCHZ-LLVKDONJSA-N 239.702 2.562 0 40 BFAB CCC(CC)C(=O)Nc1ccc(F)cc1N 19388878 UIDHVPQAAYHFMU-UHFFFAOYSA-N 224.279 2.783 0 40 BFAB C[C@@H](N)COc1ccc(Cl)c(Cl)c1 20059059 SBLULJADVSEPQC-ZCFIWIBFSA-N 220.099 2.719 0 40 BFAB CC1CCN(CCCNC2CCCC2)CC1 20146231 HPRZYCRXHPQWJN-UHFFFAOYSA-N 224.392 2.641 0 40 BFAB CCC(=O)Nc1cccc(NC(=O)C(C)C)c1C 26031264 OAVQDDAJWQPJER-UHFFFAOYSA-N 248.326 2.938 0 40 BFAB Nc1cc(-c2ccsc2)nn1-c1ccccn1 26512306 UUOPPYWNELVOCE-UHFFFAOYSA-N 242.307 2.578 0 40 BFAB C[C@H](NC(=O)C1CCCCC1)c1ccccn1 28781146 WPEPSHQLSXSEMO-NSHDSACASA-N 232.327 2.839 0 40 BFAB O=C(O)C1(C(=O)O)CCC2(CCCCC2)CC1 31729329 KLTKZNIAIUVCON-UHFFFAOYSA-N 240.299 2.667 0 40 BFAB CCc1ccc([C@H](C)NC2CCN(C)CC2)cc1 37248808 YNZABZAEMIBGRX-ZDUSSCGKSA-N 246.398 2.994 0 40 BFAB O=C(NCC1CC1)Nc1ccc2c(c1)CCC2 40103352 ZCQILRJHEFFHMN-UHFFFAOYSA-N 230.311 2.707 0 40 BFAB CC(C)(C)OC(=O)N(CCO)C1CCCCC1 42510443 MCBLSVBAGWEOLW-UHFFFAOYSA-N 243.347 2.549 0 40 BFAB O=C1C[C@H]2C=C[C@@H]1c1c(F)c(F)c(F)c(F)c12 43465264 FUFUJGSFBQQDOY-UHNVWZDZSA-N 242.171 2.953 0 40 BFAB CCCC[C@@H]1CCC[C@@H]1NCc1ncc[nH]1 66593839 OKKWPXHQFUVSCT-NEPJUHHUSA-N 221.348 2.858 0 40 BFAB C[C@H](NCC1CCCC1)[C@H](C)n1cccn1 69967297 ITHGLNIQENGJDS-RYUDHWBXSA-N 221.348 2.612 0 40 BFAB COC(=O)c1cnc(Cc2ccccc2)s1 71873602 OUGMYGHEKUAAKG-UHFFFAOYSA-N 233.292 2.521 0 40 BFAB in-vitro CCCC(=O)Nc1cc(F)ccc1-n1cccn1 71882796 CIYLIPAXDHGYAV-UHFFFAOYSA-N 247.273 2.750 0 40 BFAB C[C@@H](c1ccccc1)c1scnc1C(=O)O 75992378 RQKNSKSWPLIPJU-QMMMGPOBSA-N 233.292 2.993 0 40 BFAB CON(C)C(=O)/C=C/[C@@H](C)CCC=C(C)C 95218142 NDIWFAPLPTUGNF-VMPCVLLUSA-N 225.332 2.945 0 40 BFAB C[C@@H]1C[C@H]1C(=O)Nc1ccc2ccccc2n1 95955599 CHEMJPMPBZQVFY-MWLCHTKSSA-N 226.279 2.829 0 40 BFAB Cc1c(N[C@@H](C)c2ccsc2)cnn1C 95991769 NLGZQSXYSCYNND-QMMMGPOBSA-N 221.329 2.963 0 40 BFAB C[C@H]1C[C@@H]2CCN(Cc3ccsc3)C[C@H]2O1 96062527 QUGNTGNTMVNZJK-WCFLWFBJSA-N 237.368 2.747 0 40 BFAB CC[C@@H]1CCCCCN1CCCCCO 96417914 ZIWXFLHLNRPVKI-CYBMUJFWSA-N 213.365 2.804 0 40 BFAB COc1ncc(C)cc1NC(=O)[C@H]1CC=CCC1 98016177 XOBSLQZQIFCLCO-NSHDSACASA-N 246.310 2.693 0 40 BFAB Cc1ccc(C(=O)[C@@H]2C(=O)[C@H]3CC[C@@H]2C3)cc1 104116959 WBQVVYIWQLXMTJ-FRRDWIJNSA-N 228.291 2.793 0 40 BFAB Cc1ccc(NC(=O)Cc2cccnc2)cc1F 334514311 QHBQQPADMZKEKM-UHFFFAOYSA-N 244.269 2.710 0 40 BFAB Cc1ccc([C@@H]2C[C@H]2c2cc(N)n(C)n2)cc1 575422601 ICQQLVIYIQXXPZ-NWDGAFQWSA-N 227.311 2.582 0 40 BFAB Cc1cccc(-c2cncc([C@@H]3CCCN3)n2)c1 616576163 SPUFKLYSOOMDRB-ZDUSSCGKSA-N 239.322 2.877 0 40 BFAB CCCOc1cnc2ccc(N)cc2c1 685937526 IXEDDHRQBCECRP-UHFFFAOYSA-N 202.257 2.606 0 40 BFAB COc1nc2cccc(C(F)(F)F)c2cc1N 685938598 PXVKGPKRRYJSMQ-UHFFFAOYSA-N 242.200 2.844 0 40 BFAB OC[C@]12CCCC[C@@H]1CN(Cc1ccccc1)C2 1772715863 CKEIPBZJHXSCTL-HZPDHXFCSA-N 245.366 2.671 0 40 BFAB CC(C)[C@@H]1CO[C@@]2(c3ccccc3)CCC(=O)N12 154906 USVVTHSUMLVZJC-DZGCQCFKSA-N 245.322 2.517 0 40 BFAB biogenic CCOc1ccccc1C(=O)N(CC)CC 1566656 LEBSHMYVTNMJNP-UHFFFAOYSA-N 221.300 2.567 0 40 BFAB CS[C@H]1C(=O)Nc2ccc(Cl)cc21 2041542 TWWINSCIZJKYJM-MRVPVSSYSA-N 213.689 2.696 0 40 BFAB O=C(c1nc2ccccc2s1)N1CCCCC1 4739771 SQYJKSRYMGYMSJ-UHFFFAOYSA-N 246.335 2.922 0 40 BFAB Clc1ccc2c(N3CCCC3)ncnc2c1 14245550 MIQOFYSXDJCOCW-UHFFFAOYSA-N 233.702 2.883 0 40 BFAB Cc1ccccc1N1C(=O)[C@@H]2CCCC[C@H]2C1=O 16666443 BKCOXCQCSDGIOZ-VXGBXAGGSA-N 243.306 2.675 0 40 BFAB Cc1ccc2nc([C@@H]3CCCNC3)[nH]c2c1C 19737157 FWXGQVNJZSMBEX-LLVKDONJSA-N 229.327 2.647 0 40 BFAB in-vitro COc1ccc([C@@H](C)NC(C)C)cc1F 19881066 NHQNBICBEVJQNO-SECBINFHSA-N 211.280 2.893 0 40 BFAB Fc1cccc(NCc2ccccn2)c1 19920988 NKNFHAJBGVXRTJ-UHFFFAOYSA-N 202.232 2.833 0 40 BFAB OCc1cccc(OCc2ccccc2F)c1 20031797 MAXPOMFALBKZMA-UHFFFAOYSA-N 232.254 2.897 0 40 BFAB Cc1ccc2nc([C@H](N)c3ccccc3)[nH]c2c1 22261824 RJYUWHVMBJHXHN-CQSZACIVSA-N 237.306 2.919 0 40 BFAB in-vitro CC1=C(C)[C@@H]2C(NCC(C)C)=NC=N[C@@H]2S1 28616870 RAARFHHCJIEQNK-ZYHUDNBSSA-N 237.372 2.655 0 40 BFAB O=C(NCCSc1ccccc1)C1CCC1 32741248 BATCUQQFYYGCKK-UHFFFAOYSA-N 235.352 2.695 0 40 BFAB O=C(O)/C=C/C12CC3CC(CC(C3)C1)C2 34364455 MAROXWFNHXFGIU-OWOJBTEDSA-N 206.285 2.844 0 40 BFAB COCC(=O)c1ccc(Cl)cc1Cl 36180004 XEECFZHBUYBTDP-UHFFFAOYSA-N 219.067 2.823 0 40 BFAB CCCC[C@H](N)Cc1cccc(OC)c1 38129439 GVKKWOOVTZRAOU-LBPRGKRZSA-N 207.317 2.755 0 40 BFAB OCc1ccc(OCc2ccccc2)c(Cl)n1 40564662 NFQCWYRJDVHJDP-UHFFFAOYSA-N 249.697 2.806 0 40 BFAB CC[C@H](NC(C)=O)c1ccc(Cl)cc1 42009386 VZZPTNWICPVWEE-NSHDSACASA-N 211.692 2.927 0 40 BFAB CC(C)Cc1noc(CN(C)C2CCCC2)n1 42683927 LJIGJWBNZPYQBV-UHFFFAOYSA-N 237.347 2.643 0 40 BFAB Cn1ccnc1CN(Cc1cccs1)C1CC1 58171839 GYAGOYBJPYHKHG-UHFFFAOYSA-N 247.367 2.646 0 40 BFAB O=C(O)C/C=C/c1ccc(Br)o1 62710568 UGBGCFLEWAXDSB-OWOJBTEDSA-N 231.045 2.530 0 40 BFAB CO[C@H](CN)c1cc(Cl)ccc1Cl 62711378 VPQNVHKFOVSKLV-SECBINFHSA-N 220.099 2.640 0 40 BFAB O[C@H](c1ccccc1Br)C1CC1 70735894 YLQPWFYRWGMDGZ-JTQLQIEISA-N 227.101 2.893 0 40 BFAB CCN(C)c1ccc(C(=O)c2ccccc2)cn1 72225236 WWIKGPMASOMLJM-UHFFFAOYSA-N 240.306 2.769 0 40 BFAB N[C@H]1CCCC[C@H]1NCc1ccccc1Cl 72411128 IBXAZXXRKXCENX-QWHCGFSZSA-N 238.762 2.700 0 40 BFAB CCCCCC/C=C\C[C@H](O)CC(=O)O 85845751 GZUALOWLHSCENG-TVRMLOFPSA-N 214.305 2.739 0 40 BFAB biogenic,in-vitro CCN1CCC[C@H]1CNCCCC1CCC1 96528629 LXGYRBZUQNTFFV-AWEZNQCLSA-N 224.392 2.641 0 40 BFAB C(=C\[C@H]1C[C@@H]2CCCN2O1)\c1ccccc1 104191365 POSFKVVXEVYCJA-GZLNQGQSSA-N 215.296 2.868 0 40 BFAB O=C(Cc1ccccc1)OC[C@H]1C[C@H]2C=C[C@H]1C2 104365162 MYZMQJUPBPHYEW-SOUVJXGZSA-N 242.318 2.985 0 40 BFAB CCCCc1nc([C@@H]2CCCCCN2)no1 159522629 QROFVICBVYCACP-JTQLQIEISA-N 223.320 2.617 0 40 BFAB COc1ccc([C@@H](CN)CC2CC2)cc1OC 225741566 LSCPMCMGEMPOSW-GFCCVEGCSA-N 235.327 2.546 0 40 BFAB CCN(CC)c1ccc(N)cc1NC(=O)C(C)C 226260464 VRQSAVRJMRAJQO-UHFFFAOYSA-N 249.358 2.710 0 40 BFAB CCC[C@H](N)CN1CC[C@@H]2CCCC[C@H]2C1 252470051 UAQKEJZZPGARJA-IHRRRGAJSA-N 224.392 2.626 0 40 BFAB Clc1cnc(N2CCC(=C3CC3)CC2)nc1 253409153 ZOHCMMKOLGAOOW-UHFFFAOYSA-N 235.718 2.821 0 40 BFAB CC[C@H](C)C(=O)N[C@@H]1CCCC(F)(F)C1 335336423 JDQTUJAOSGIAIM-DTWKUNHWSA-N 219.275 2.727 0 40 BFAB O=Cc1cn(C2CCCC2)nc1Br 408717847 XQTPCGOHBFPLAP-UHFFFAOYSA-N 243.104 2.573 0 40 BFAB Cc1c(C(C)C)[nH]c2cccc(O)c2c1=O 685938315 GWHKDNILGDMEHF-UHFFFAOYSA-N 217.268 2.666 0 40 BFAB CC(C)N1CC[C@H](c2cc3cccnc3[nH]2)C1 2037644221 NNDDFMPTMJAVIR-LBPRGKRZSA-N 229.327 2.761 0 40 BFAB CCOC(=O)c1ccc(-c2ccc(CO)o2)cc1 478560 DMKQQSCPXCUMKK-UHFFFAOYSA-N 246.262 2.616 0 40 BFAB CCN1CCC(N[C@@H](C)c2ccccc2)CC1 802056 FCHIXBOAKWKZHI-ZDUSSCGKSA-N 232.371 2.822 0 40 BFAB CCc1ccc(NC(=O)NC(C)C)cc1 1640150 ROVHUPFWXSXKJM-UHFFFAOYSA-N 206.289 2.779 0 40 BFAB CC[C@H](SC)C(=O)N(C)c1ccccc1 2041535 JVHSBXKRERUBJZ-NSHDSACASA-N 223.341 2.791 0 40 BFAB Nc1cc(-c2ccc(OC(F)(F)F)cc2)[nH]n1 2548772 ZRSOFPQITMWBJG-UHFFFAOYSA-N 243.188 2.558 0 40 BFAB N[C@@H](c1cccc(Br)c1)C1CC1 3739286 LWGOWJNHCOOGOG-SNVBAGLBSA-N 226.117 2.859 0 40 BFAB CC(C)NC(=S)Nc1ccc(F)c(F)c1F 6538599 ZUZGHAMGDWCVTP-UHFFFAOYSA-N 248.273 2.799 0 40 BFAB Cc1ccc(Cc2cnc(N)s2)cc1C 8412703 KISOHOLEJPVTJI-UHFFFAOYSA-N 218.325 2.933 0 40 BFAB in-vitro CC[C@H](Nc1cc(C)ccc1C)C(=O)O 8702764 CFQNYHYHUWFKFU-JTQLQIEISA-N 207.273 2.579 0 40 BFAB COc1ccc(Cl)cc1Cn1ccnc1 13283489 BRNDWIVGTMCQFM-UHFFFAOYSA-N 222.675 2.593 0 40 BFAB N[C@H](Cc1c[nH]c2ccccc12)C(F)(F)F 13515099 KDECNUFSXVWZKT-SNVBAGLBSA-N 228.217 2.600 0 40 BFAB c1ccc2cc(OC[C@H]3CCNC3)ccc2c1 14632434 FXQBHPKGRGPIKE-LBPRGKRZSA-N 227.307 2.828 0 40 BFAB in-vivo O=C1N=C(Nc2ccc(F)cc2)CS1 16754225 PRJHGXHOSWQEBV-UHFFFAOYSA-N 210.233 2.503 0 40 BFAB Cc1c(C=O)c(C)n(-c2cccnc2)c1C 22122412 HYNPUCOFSJZMQY-UHFFFAOYSA-N 214.268 2.610 0 40 BFAB CC(C)C[C@H]1CN(Cc2ccccc2)CCN1 23363463 HQMROSCVRBNRRZ-HNNXBMFYSA-N 232.371 2.507 0 40 BFAB COc1cccc2[nH]c(=O)cc(C(F)(F)F)c12 36471906 GAISFNCPLDRILG-UHFFFAOYSA-N 243.184 2.556 0 40 BFAB CC(=O)Nc1ccc(OC(C)=O)c2ccccc12 38276742 QCXQIJWQFTWLKC-UHFFFAOYSA-N 243.262 2.724 0 40 BFAB Cc1ccc(C)c(C(=O)C[C@@H](C)CC(=O)O)c1 43214297 OQTXPVGEWWEPOQ-SNVBAGLBSA-N 234.295 2.987 0 40 BFAB NCC1CCN([C@H]2CCCc3ccccc32)CC1 44512140 QOYIBOVQLPGCHK-INIZCTEOSA-N 244.382 2.735 0 40 BFAB C[C@H]1CN(C(=O)CCC2CCCC2)[C@H](C)CO1 45446162 NXIITIGPLXYQIE-NEPJUHHUSA-N 239.359 2.593 0 40 BFAB CCN(Cc1cccc(F)c1)C(=O)C1CCC1 58306262 KGNUTHAEHSWFMX-UHFFFAOYSA-N 235.302 2.974 0 40 BFAB CCN1CCO[C@H](c2ccccc2Cl)C1 65612941 XRQOCOOOUBGDQN-LBPRGKRZSA-N 225.719 2.733 0 40 BFAB Cc1ccccc1SCc1ccn(C)c(=O)c1 69511466 PSKKVJFWVHMOKB-UHFFFAOYSA-N 245.347 2.986 0 40 BFAB Fc1ccc(F)c(OCc2ccccn2)c1 79021264 VUPLIPJSXNVUDJ-UHFFFAOYSA-N 221.206 2.939 0 40 BFAB COC(=O)c1cc2cc(C)ccc2s1 91696096 JYCDOAPNZAJTJA-UHFFFAOYSA-N 206.266 2.996 0 40 BFAB COP(=O)(OC)C(=O)CCc1ccccc1 95628484 RCBRPJRYJDTVCW-UHFFFAOYSA-N 242.211 2.632 0 40 BFAB Cc1cc(CCO)ccc1OCC(C)C 95732054 OMCQXMJIHPNVNV-UHFFFAOYSA-N 208.301 2.565 0 40 BFAB O[C@H](/C=C\c1ccccc1)C(F)(F)F 96034879 TWENPNDYVIPCRK-ATJFRQLMSA-N 202.175 2.623 0 40 BFAB C[C@H](Sc1ncc[nH]1)c1nc(C2CC2)no1 96430215 HFXGGJYMRUZLBK-LURJTMIESA-N 236.300 2.523 0 40 BFAB CC(C)[C@@H]1OCC[C@@H]1CNc1ccccn1 96453809 XVCYMPDDGVYKPL-YPMHNXCESA-N 220.316 2.555 0 40 BFAB CC(C)=CCOC(=O)c1ccnn1C(C)C 195549693 KASIKELEXBUJGP-UHFFFAOYSA-N 222.288 2.587 0 40 BFAB O[C@@]1(C(F)(F)F)CCc2ccc(F)cc21 221693294 UNFTXHKTFINYJU-VIFPVBQESA-N 220.165 2.522 0 40 BFAB OCc1cccn1-c1nc2ccccc2s1 223744961 OVJFEYNNDUERMY-UHFFFAOYSA-N 230.292 2.579 0 40 BFAB CCn1c(C)ccc1CNCc1ccco1 226019158 VBZYPRDKABHWEJ-UHFFFAOYSA-N 218.300 2.699 0 40 BFAB Fc1cc(Cl)cnc1N1CCC(F)(F)C1 335462121 JEFXEUUJQYTOJQ-UHFFFAOYSA-N 236.624 2.720 0 40 BFAB CCOC(=O)c1c(Cl)cnn1[C@@H](C)CC 408717182 WPZWSZUGPLZCMA-ZETCQYMHSA-N 230.695 2.684 0 40 BFAB O=C(O)CCc1ccc(F)c2ccccc12 536952840 HMQMDWQIOFQHLB-UHFFFAOYSA-N 218.227 2.996 0 40 BFAB in-vitro O=C([C@H]1CC12CCC2)N1CCc2ccccc21 27602 HVVOCGTVQAUZNY-GFCCVEGCSA-N 227.307 2.766 0 40 BFAB CCCC(=O)c1ccc(OC)c(OC)c1 173942 VMDUYDPNEDZGBN-UHFFFAOYSA-N 208.257 2.687 0 40 BFAB in-vitro CC(=O)Cc1ccc(F)c(Br)c1 2529200 CWYDAURSLDSQMW-UHFFFAOYSA-N 231.064 2.720 0 40 BFAB CCOC(=O)CCC(=O)c1cc(F)ccc1C 2580551 XZFPUGAUCASSCG-UHFFFAOYSA-N 238.258 2.660 0 40 BFAB CSCC(=O)Nc1cccc(Cl)c1C 12979217 MGPDECVCSAGKIU-UHFFFAOYSA-N 229.732 2.950 0 40 BFAB Cc1ccc(CNc2ncccc2N)cc1 15775008 FJJJTJVWRAYFLL-UHFFFAOYSA-N 213.284 2.584 0 40 BFAB NCc1ccc(NC(=O)C2CCCCC2)cc1 20224316 MKYNCAAYDVZDQW-UHFFFAOYSA-N 232.327 2.664 0 40 BFAB Cc1ccc(-n2cc(Cl)ccc2=O)cc1 32919140 VZUQKEKAIVQGEW-UHFFFAOYSA-N 219.671 2.799 0 40 BFAB Oc1ccc(-c2noc(-c3cccnc3)n2)cc1 34956091 ITZRJPURXTWICR-UHFFFAOYSA-N 239.234 2.504 0 40 BFAB C[C@@H](CC(=O)Nc1cn[nH]c1)c1ccccc1 36394413 IBCOJHBJSLAVAD-JTQLQIEISA-N 229.283 2.542 0 40 BFAB Cc1ccc(NCc2ccccn2)c(N)c1 37401301 SPRXFQVVJZRBRD-UHFFFAOYSA-N 213.284 2.584 0 40 BFAB COc1ccc(C)cc1[C@H](O)c1ccc(C)o1 40264169 ROGPDWGJXKFXKP-AWEZNQCLSA-N 232.279 2.987 0 40 BFAB CCOC(=O)CCN[C@H](C)CCc1ccccc1 44288551 RJZVJMLYUMKPHF-CYBMUJFWSA-N 249.354 2.551 0 40 BFAB CC/C=C(\C)C(=O)N[C@H](C)c1ccncc1 46041946 OTOHBJPCRLPNHV-IGLBNKAOSA-N 218.300 2.615 0 40 BFAB c1cncc(CNc2cnnc3ccccc23)c1 46087272 JSSLKQGERKWCDI-UHFFFAOYSA-N 236.278 2.637 0 40 BFAB Cc1ccc(C(=O)[C@H](C)CN2CCCC2)cc1 49822169 FAENLMJGSDVGQL-CYBMUJFWSA-N 231.339 2.910 0 40 BFAB Cc1cccc(O[C@H](C)C(=O)N[C@H](C)C(C)C)c1 57160055 YKJQCVCETDKXFK-CHWSQXEVSA-N 249.354 2.923 0 40 BFAB Cc1ccc(-c2cc(NC(=O)C3CC3)[nH]n2)s1 60322285 RBQPMTIINJXMLY-UHFFFAOYSA-N 247.323 2.795 0 40 BFAB CNC[C@@H](OC)c1ccc(Cl)c(Cl)c1 62711502 LPTQKJOONNSYMP-SNVBAGLBSA-N 234.126 2.900 0 40 BFAB CSc1ncc(OCc2ccccc2)cn1 65734751 GKVYIODQKHPFHO-UHFFFAOYSA-N 232.308 2.778 0 40 BFAB in-vitro CC(C)(C)OC(=O)N1CC(Nc2ccccc2)C1 71335037 YJTLPHYGSXHPTE-UHFFFAOYSA-N 248.326 2.718 0 40 BFAB Cc1cccc(CS[C@@H](C)C(=O)NC2CC2)c1 71818612 HIIQOCPNXXWMAT-NSHDSACASA-N 249.379 2.895 0 40 BFAB CCN1CCCC[C@@H]1c1cnccc1C 72211411 OCBQVIINUVILRE-CYBMUJFWSA-N 204.317 2.937 0 40 BFAB CNCc1cnc(Oc2ccccc2)c(C)c1 72222131 HVJLOIDMVJSDAR-UHFFFAOYSA-N 228.295 2.902 0 40 BFAB Cc1cc(N)ccc1-c1ccc(C(=O)O)o1 73640286 ORTBTGUYQAHVEZ-UHFFFAOYSA-N 217.224 2.535 0 40 BFAB CCc1nc([C@@H]2CCCN2[C@H]2C=CCCC2)no1 75607300 OVGWYGKOWXOEJI-RYUDHWBXSA-N 247.342 2.878 0 40 BFAB Cc1nnc(-c2ccc(Cl)c(N)c2)s1 82540351 YHBFJGAWGRYCKC-UHFFFAOYSA-N 225.704 2.749 0 40 BFAB CCCCC[C@H]1CC[C@H](C(CO)CO)CC1 100074092 LLWMASNUGKCKMQ-BETUJISGSA-N 228.376 2.974 0 40 BFAB O=C1c2ccccc2CC[C@@H]1C(=O)C(F)(F)F 100404398 GGDMEHMCEGBLBB-VIFPVBQESA-N 242.196 2.563 0 40 BFAB Nc1cccc(NC(=O)/C=C/c2cccs2)c1 131270474 KQFQGHNOPPXRGS-VOTSOKGWSA-N 244.319 2.982 0 40 BFAB Cc1cccc([S@](=O)Cc2ccccn2)c1 191183264 MQRHOUINTOTZQN-MRXNPFEDSA-N 231.320 2.698 0 40 BFAB Cc1ccc2c(Br)nsc2n1 195973095 BYYMUORGHHUEGI-UHFFFAOYSA-N 229.102 2.762 0 40 BFAB Cc1ccccc1O[C@@H](C)C(=O)N[C@@H](C)C(C)C 225215893 GFRUDCUOOLTPKB-STQMWFEESA-N 249.354 2.923 0 40 BFAB CCc1c(N)nc(-c2ccccc2)nc1Cl 226100030 YKQJZZOVHBFRPC-UHFFFAOYSA-N 233.702 2.942 0 40 BFAB CC(C)(C)NC(=S)N1CCCCCC1 238101927 WMEPGMHAUFDPGD-UHFFFAOYSA-N 214.378 2.535 0 40 BFAB COC(=O)c1ccc(-c2cc(C)c(C)cc2N)o1 256050165 CZFXILYIPOSNQZ-UHFFFAOYSA-N 245.278 2.932 0 40 BFAB Cc1nccc([C@H]2CCN(CC(C)(C)C)C2)n1 257245241 IOQVEQJQHVJMKV-LBPRGKRZSA-N 233.359 2.620 0 40 BFAB Fc1cc(OC(F)(F)F)cc2[nH]cnc12 258830562 HNDIBXCQYYSTTM-UHFFFAOYSA-N 220.125 2.601 0 40 BFAB Cc1oc(-c2ccccc2Cl)nc1CO 409423087 OJXIYHKGVYQFDI-UHFFFAOYSA-N 223.659 2.796 0 40 BFAB OCc1cc(F)cc(C(F)(F)F)c1Cl 642814283 CGVJSRMHHZTMEA-UHFFFAOYSA-N 228.572 2.990 0 40 BFAB Cc1ccc(-c2ncn(C)n2)c2ccccc12 2362801742 PWEIPUIHNVQAAU-UHFFFAOYSA-N 223.279 2.944 0 40 BFAB CC[C@H]1C(=O)C(C)(C)C(=O)O[C@H]1c1ccccc1 226615 BXCYIBCBVGYMFT-NEPJUHHUSA-N 246.306 2.906 0 40 BFAB CCOc1cccc2ccc[n+](CC)c12 1630235 BUAJLYKVIDRLNS-UHFFFAOYSA-N 202.277 2.546 0 40 BFAB CCc1ccc(OCCCC(=O)NC(C)C)cc1 1773854 CHHWOOUTDPXZLU-UHFFFAOYSA-N 249.354 2.933 0 40 BFAB CCOC(=O)CCC(Cl)(Cl)Cl 1871637 JFIRSSNNKZUDHZ-UHFFFAOYSA-N 219.495 2.700 0 40 BFAB Nc1ccc(Sc2ccncc2)c(F)c1 3866600 HLMXEPKYQORYHX-UHFFFAOYSA-N 220.272 2.954 0 40 BFAB C[C@H]1CC[C@]23[C@@H]1C[C@H](C[C@H](O)[C@@]2(C)O)C3(C)C 5029115 FEZBVLJUJBICLN-YYQHBFALSA-N 238.371 2.581 0 40 BFAB c1ccn(C2=N[C@H]3CCCC[C@@H]3S2)c1 5778529 MDJDOMNMMJBWML-UWVGGRQHSA-N 206.314 2.750 0 40 BFAB CC(C)CC[C@H](C)NC(=O)c1ccncc1 12972726 OPWBEUKDHLLDNE-NSHDSACASA-N 220.316 2.636 0 40 BFAB O=C([C@H]1Cc2ccccc2S1)N1CCCCC1 12973154 BDTFEBBXAVJGIZ-CYBMUJFWSA-N 247.363 2.716 0 40 BFAB O=C(Nc1ccc(Cl)cc1)n1ccnc1 16428524 ALJULZGUXZZIRG-UHFFFAOYSA-N 221.647 2.617 0 40 BFAB Nc1nnc(-c2cccc(Cl)c2Cl)o1 19389135 DKEHNWRJMQVWKY-UHFFFAOYSA-N 230.054 2.626 0 40 BFAB Fc1ccccc1CCNC1CCCC1 19912613 KRZBHEWQBVWPBT-UHFFFAOYSA-N 207.292 2.900 0 40 BFAB in-vitro Cc1ccccc1CCNC(=O)c1ccoc1C 21556883 ZPKLSZMSXGMTQG-UHFFFAOYSA-N 243.306 2.869 0 40 BFAB O=C(O)CCCCC[C@H](O)c1ccccc1 21992935 GIPXRSLMPOWIDN-LBPRGKRZSA-N 222.284 2.755 0 40 BFAB CC[C@@H](C(=O)Nc1ccn(C)n1)c1ccccc1 22614141 DYYMBYTUIXGVME-GFCCVEGCSA-N 243.310 2.552 0 40 BFAB CCNC(=O)c1cc2cc(Cl)ccc2nc1C 23028531 HSDUSAOMJJWLQE-UHFFFAOYSA-N 248.713 2.946 0 40 BFAB Cc1cnc2cc(Br)ccc2n1 32254484 RGJZVJSYOCQGSB-UHFFFAOYSA-N 223.073 2.701 0 40 BFAB Cc1ccc(CN(C)C(=O)[C@@H]2C[C@@H]2C)c(C)c1 32748069 ARDGEESIKJTUTN-GXTWGEPZSA-N 231.339 2.918 0 40 BFAB O=C(NCC1CC1)[C@H]1CCCc2ccccc21 32760387 BVGGZLIIGHYEOM-AWEZNQCLSA-N 229.323 2.633 0 40 BFAB CN(CCC1CCNCC1)Cc1ccccc1 36156149 DOVDXQKHZUVAJE-UHFFFAOYSA-N 232.371 2.508 0 40 BFAB OCc1cc(-c2ccc3c(c2)CCCC3)on1 36162168 WMDCYIIMDFIYAJ-UHFFFAOYSA-N 229.279 2.713 0 40 BFAB CCCc1noc(-c2ccc(C)c(N)c2)n1 36915802 LDMMLHJWGAOKLL-UHFFFAOYSA-N 217.272 2.580 0 40 BFAB CN(C)[C@H](CN)c1cc(Cl)cc(Cl)c1 37424803 SZYDCMVJDVIPMS-SNVBAGLBSA-N 233.142 2.555 0 40 BFAB C[C@@H](Cc1cccc(Br)c1)C(=O)O 37462486 WAXFQFBSRDYONP-ZETCQYMHSA-N 243.100 2.712 0 40 BFAB in-vitro O=C(O)C1(n2cnc3ccccc32)CCCCC1 41895180 LCUBYZBZNOQJHQ-UHFFFAOYSA-N 244.294 2.780 0 40 BFAB OCc1ccc(OCC(F)(F)F)c(Cl)c1 43490294 AUSWEEXKBODTQB-UHFFFAOYSA-N 240.608 2.773 0 40 BFAB CCNC(=S)Nc1ccc(OC(C)C)cc1 44195000 BHWFGCFBLIZASV-UHFFFAOYSA-N 238.356 2.780 0 40 BFAB Cc1ccc([C@@H](NC(=O)C2CC2)C2CC2)cc1 44893054 XBIPSFCNUMPFQE-CQSZACIVSA-N 229.323 2.972 0 40 BFAB CCOc1ccc(NC(=O)NC2CC2)c(C)c1 48142208 KZFGLOLBHYPUPB-UHFFFAOYSA-N 234.299 2.678 0 40 BFAB O=C(NCc1ccoc1)c1ccc(Cl)s1 48252949 YROMEKGFVNKNON-UHFFFAOYSA-N 241.699 2.925 0 40 BFAB CC(C)N(CCO)Cc1ccc(Cl)cc1 49802012 MEUYTDVVEFAKJX-UHFFFAOYSA-N 227.735 2.543 0 40 BFAB O=c1ccc(-c2ccccc2Cl)c[nH]1 59455980 PIQAUAPSPKFFJK-UHFFFAOYSA-N 205.644 2.695 0 40 BFAB CCCN(CC(=O)O)c1c(C)cccc1C 76610621 UNTVHRULVHPSDE-UHFFFAOYSA-N 221.300 2.604 0 40 BFAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N(C)C)c1 78984766 KBGQTXIGILVWCI-LBPRGKRZSA-N 249.354 2.974 0 40 BFAB CC(C)CN(CC(C)C)C(=O)NCC1CC1 84511039 PMOPDBNRGVDZDS-UHFFFAOYSA-N 226.364 2.720 0 40 BFAB O=C(c1cccc(F)c1)c1ccc2c(c1)OCO2 84554481 IJQJHZWUDGMQGO-UHFFFAOYSA-N 244.221 2.785 0 40 BFAB CCC[C@H](NCC(C)C)C(=O)OC(C)(C)C 95943142 HRUOTMZULXSUMR-NSHDSACASA-N 229.364 2.742 0 40 BFAB CCSc1ccc(F)c(C(=O)O)c1 96529744 HCIVCHXDNURQJD-UHFFFAOYSA-N 200.234 2.636 0 40 BFAB C[C@H]1C[C@H](NCCC2(C)OCCO2)CC[C@H]1C 97146819 OSPWUGLXNLFSQX-FRRDWIJNSA-N 241.375 2.554 0 40 BFAB CCN(CC(F)(F)F)C(=O)[C@H]1CC=CCC1 97211556 MSBCMSNNVOKINK-VIFPVBQESA-N 235.249 2.754 0 40 BFAB Fc1cccc2c1CC1(CCOCC1)CN2 98214127 OVOBKUGOBJDCNU-UHFFFAOYSA-N 221.275 2.591 0 40 BFAB N=C1O[C@H](c2ccc3c(c2)CCC3)C(O)=C1O 104239713 KKDPDCDNEQPZTK-GFCCVEGCSA-N 231.251 2.551 0 40 BFAB Cc1ccc(N[C@@H]2CCCC[C@H]2N)cc1C 218860078 WTWZUOPSTOLTDY-ZIAGYGMSSA-N 218.344 2.985 0 40 BFAB Cc1cc2nc(-c3ccc[n+](C)c3)oc2cc1C 226774611 HAENNIJLJWNNSI-UHFFFAOYSA-N 239.298 2.936 0 40 BFAB CC[C@H](C)C(=O)c1cccc(C(=O)OC)c1 309196288 SXPIVGNRYIJCPA-VIFPVBQESA-N 220.268 2.702 0 40 BFAB CCN(CC)C[C@@H]1OCCc2ccccc21 207123 CUFMUOINXASFGE-AWEZNQCLSA-N 219.328 2.642 0 40 BFAB O=C1CC[C@@H]([C@@H]2CCc3cc(O)ccc3C2)C1 1708294 FHYIFXKLWBYONC-ZWNOBZJWSA-N 230.307 2.866 0 40 BFAB biogenic,in-vitro COC(=O)CC(=O)c1cc(Cl)cc(Cl)c1 2575895 BETPUTPVCQPHBG-UHFFFAOYSA-N 247.077 2.739 0 40 BFAB O=C(Nc1cccnc1Cl)c1ccco1 3163019 ZKLMQPVZHSPAGU-UHFFFAOYSA-N 222.631 2.580 0 40 BFAB COCc1cccc(C(=O)NC2CCCC2)c1 8076292 YSEKWMAQHJAMPD-UHFFFAOYSA-N 233.311 2.505 0 40 BFAB CCC[C@@H](Oc1ccc(C)cc1)C(=O)O 8730626 IRGKJZXRQSNSQF-LLVKDONJSA-N 208.257 2.627 0 40 BFAB CNC(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 10052702 LDWSHYSQMNWOKX-NXEZZACHSA-N 243.228 2.555 0 40 BFAB Cc1ccc(C(=O)NCCc2ccco2)cc1F 12908655 IQMWVEOZIJGWKK-UHFFFAOYSA-N 247.269 2.700 0 40 BFAB CC[C@@H](C)C(=O)Nc1ccc2c(c1)OCCCO2 12935408 QOLBXVOSHWEJAO-SNVBAGLBSA-N 249.310 2.833 0 40 BFAB C[C@@H](NC(=O)NCC1CC1)c1ccc(F)cc1 12986631 INFBLPLZFPJHBE-SECBINFHSA-N 236.290 2.596 0 40 BFAB Nc1cc(Cl)ccc1NC(=O)c1ccco1 20157177 FZFAEZWOQPBNFN-UHFFFAOYSA-N 236.658 2.768 0 40 BFAB C[C@H](NC(=O)[C@H]1CC=CCC1)c1ccco1 25260709 CJUPUXDQSVWOJO-QWRGUYRKSA-N 219.284 2.813 0 40 BFAB CN(C(=O)CC1CCCC1)C1CCCC1 32901606 NEMYDYBMIJLSNZ-UHFFFAOYSA-N 209.333 2.968 0 40 BFAB C[C@H]1C[C@H]1C(=O)N1CCSc2ccccc21 32997915 ADUTZESNAHBXLO-VHSXEESVSA-N 233.336 2.781 0 40 BFAB CN[C@H](c1ccc(F)cc1)c1cccnc1 35463663 DABUWFPZDWZBCH-CYBMUJFWSA-N 216.259 2.530 0 40 BFAB in-vitro C[C@@H](Cc1ccccc1F)C(=O)N1CCCC1 36172720 JXBAOMXOWZYGRZ-NSHDSACASA-N 235.302 2.627 0 40 BFAB N[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 37425109 GJBXYYOESOABGQ-BDAKNGLRSA-N 202.084 2.808 0 40 BFAB O=C(O)CCCc1nc2c(Cl)cccc2[nH]1 37443395 HQFIBSUFEREBPL-UHFFFAOYSA-N 238.674 2.624 0 40 BFAB COc1cc(C=O)c(OC)c2ccccc12 37627819 VPGWYDUJJIGJSM-UHFFFAOYSA-N 216.236 2.670 0 40 BFAB in-vitro CCSc1nnc(C)n1Cc1ccccc1 39763153 ACXZVFUAUWEQNI-UHFFFAOYSA-N 233.340 2.747 0 40 BFAB CN(C(=O)OC(C)(C)C)c1cccc(N)c1 41022077 QCTXBRCQBZFXDX-UHFFFAOYSA-N 222.288 2.640 0 40 BFAB CC(C)c1ccc(CO[C@H]2CCNC2)cc1 42776028 MCQPJJKRAGLBGO-AWEZNQCLSA-N 219.328 2.689 0 40 BFAB CNC(=O)Nc1c(C)cccc1C(C)C 48344572 ONRJTDWHTYMWOV-UHFFFAOYSA-N 206.289 2.870 0 40 BFAB COC(=O)[C@@H](C)Sc1ccc2c(c1)CCC2 55278982 LPKSKBDNUHVWDA-SECBINFHSA-N 236.336 2.829 0 40 BFAB CNCCCNCc1c(Cl)cccc1Cl 57362438 QLTDHHZIFWPPRO-UHFFFAOYSA-N 247.169 2.693 0 40 BFAB c1ccc(N2CC[C@@H](NCc3ccco3)C2)cc1 71882470 XGGKMXYGRYOXGM-CYBMUJFWSA-N 242.322 2.648 0 40 BFAB Cc1oc(-c2cccs2)nc1Cn1cccn1 71913913 UMDPPVRMRHEKIK-UHFFFAOYSA-N 245.307 2.956 0 40 BFAB Cc1ccc([C@H]2CCCN2C(C)C)cn1 72211239 ICDCUNJBFATMKI-CYBMUJFWSA-N 204.317 2.935 0 40 BFAB CC(C)Oc1ccc([C@@H]2CCCCN2C=O)cn1 72211931 PVAFGEJBPKQQMG-ZDUSSCGKSA-N 248.326 2.552 0 40 BFAB c1cnc(NC2CCC2)c([C@H]2CCCCN2)c1 72213911 ZLHYWIVOOHYQRX-CYBMUJFWSA-N 231.343 2.861 0 40 BFAB CCN1CCCC[C@@H]1c1ccc(OC)nc1C 72218092 JKVSSEBBQSEGFY-CYBMUJFWSA-N 234.343 2.946 0 40 BFAB CCCNc1ccc([C@@H](N)CC)c(C)n1 72224259 RRFXVNZLBFJQEM-NSHDSACASA-N 207.321 2.622 0 40 BFAB O=C(OC1(C2CC2)CC1)c1ccc(Cl)cn1 79052311 RHAGGCCEPFHYIG-UHFFFAOYSA-N 237.686 2.834 0 40 BFAB CNC(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F 89385870 MYUSZFSTDNYXDC-IUCAKERBSA-N 243.228 2.555 0 40 BFAB Cc1cc(C=O)c(F)cc1C(F)(F)F 91252079 GKMVOIBAXNLEOE-UHFFFAOYSA-N 206.138 2.965 0 40 BFAB Cc1ccc([C@@H](OCC(=O)O)C(F)(F)F)cc1 95096402 YOMDQDVFWTVOEX-SNVBAGLBSA-N 248.200 2.700 0 40 BFAB O=C(c1nccs1)c1ccc(F)c(F)c1F 95739891 NKNPQQIFIGZDJS-UHFFFAOYSA-N 243.209 2.791 0 40 BFAB O=C1CCCC[C@H]2N[C@H](c3ccccc3)C[C@H]12 95951745 KBAKULWQSFFMJC-MJBXVCDLSA-N 229.323 2.849 0 40 BFAB Cc1c(N[C@H]2CCSC2)cccc1N(C)C 97108503 DCJOHJBKCXYXNY-NSHDSACASA-N 236.384 2.978 0 40 BFAB Cc1cnc(CN[C@@H](C)c2ncc(C)s2)o1 97112413 LOMRLGCYVCBYGZ-VIFPVBQESA-N 237.328 2.599 0 40 BFAB CSc1nccn1Cc1ccc(Cl)cn1 195565905 SEFYRFCPOGNIIB-UHFFFAOYSA-N 239.731 2.702 0 40 BFAB FC(F)(F)Oc1ccccc1-c1cnon1 953061752 RHMCQQGMANTYAF-UHFFFAOYSA-N 230.145 2.635 0 40 BFAB O=C1N[C@H](c2cccs2)Oc2ccccc21 32380 AGFNJEKZJADNQP-LBPRGKRZSA-N 231.276 2.569 0 40 BFAB COc1ccc(NC(=O)c2c(C)noc2C)cc1 111875 DNWDEGCNKMOQMU-UHFFFAOYSA-N 246.266 2.552 0 40 BFAB O=C1OC2(CCCCC2)O[C@@H]1c1ccccc1 162756 UNCBRBCEGDMXEG-GFCCVEGCSA-N 232.279 2.962 0 40 BFAB biogenic CC(=O)N1CCO[C@@H]1C(C)(C)CC=C(C)C 518396 HJGQZOKFMCPBEJ-GFCCVEGCSA-N 225.332 2.574 0 40 BFAB biogenic O=C1COc2ccccc2CN1c1ccccc1 1075368 ONWSDCYMYYUSBX-UHFFFAOYSA-N 239.274 2.612 0 40 BFAB CC[C@H](C)OC(=O)C(Cl)(Cl)Cl 2042114 CJTKROHEGUUXOZ-BYPYZUCNSA-N 219.495 2.698 0 40 BFAB CCc1cc(Br)c(O)c(C=O)c1 4290795 XDAJAIJDFVGPAK-UHFFFAOYSA-N 229.073 2.530 0 40 BFAB Fc1cccc(CCC2CCNCC2)c1 4312792 APQQFQNRCOIZOT-UHFFFAOYSA-N 207.292 2.758 0 40 BFAB Cc1ccccc1C(=O)NCc1cccs1 5172393 SWGSGDGYLWPRBA-UHFFFAOYSA-N 231.320 2.987 0 40 BFAB CC(C)C(=O)NCCc1cccc(Cl)c1 5384010 SADPCOGQHJGZOW-UHFFFAOYSA-N 225.719 2.655 0 40 BFAB CCOCCCNC(=O)/C=C/c1ccc(C)cc1 14155119 UOXVEQALMNANJT-MDZDMXLPSA-N 247.338 2.551 0 40 BFAB c1ccc2c(O[C@@H]3CCCNC3)cccc2c1 14631782 ZKHVEMXTPDLCNY-CYBMUJFWSA-N 227.307 2.971 0 40 BFAB CCCNCc1ccc(OC(F)F)cc1 19428508 FOSBBRHTJGAQPD-UHFFFAOYSA-N 215.243 2.788 0 40 BFAB Clc1ccc2[nH]c([C@H]3CCCNC3)nc2c1 19737160 WPOKRRBNLJALRX-QMMMGPOBSA-N 235.718 2.683 0 40 BFAB COc1ccccc1-n1c(N)nc2ccccc21 20586131 MERCHBBBCBRXPP-UHFFFAOYSA-N 239.278 2.616 0 40 BFAB C[C@H](Sc1ccc(F)c(F)c1)C(=O)O 21957028 PNNMSUWYKMPZJP-YFKPBYRVSA-N 218.224 2.530 0 40 BFAB NCc1cccc(NC(=O)Nc2ccccc2)c1 21963179 LRKMXKQTJKKMOQ-UHFFFAOYSA-N 241.294 2.789 0 40 BFAB in-vitro NNc1nc(-c2ccccc2)nc2ccccc12 22143920 WBJUWGCULCOZSW-UHFFFAOYSA-N 236.278 2.582 0 40 BFAB CN(Cc1ccccc1)c1ccc(CO)cc1 26513122 DALUATGISVVSPA-UHFFFAOYSA-N 227.307 2.815 0 40 BFAB O=C(O)c1cc2occc2n1Cc1ccccc1 32500839 PJUQHQBKPMPLLO-UHFFFAOYSA-N 241.246 2.981 0 40 BFAB in-vitro CN(Cc1nnsc1Cl)c1ccccc1 32819277 NPTDZXSSVFEMPE-UHFFFAOYSA-N 239.731 2.828 0 40 BFAB O=C(O)c1ccc(-c2noc(C3CCC3)n2)cc1 41721989 HSZFMLAJYFXFPJ-UHFFFAOYSA-N 244.250 2.702 0 40 BFAB CCOC(=O)c1cc(C)cc(Cl)c1OC 57339278 GWOJPZKXKYZGRJ-UHFFFAOYSA-N 228.675 2.834 0 40 BFAB COc1ccccc1CCC(=O)C(F)(F)F 57520011 MHPZJYKZUWDMEU-UHFFFAOYSA-N 232.201 2.759 0 40 BFAB COc1ccc(Cl)cc1[C@@H](N)C(F)(F)F 71549700 GVZQHNJDFIICMS-MRVPVSSYSA-N 239.624 2.911 0 40 BFAB Clc1ccc(Cn2cc(C3CC3)nn2)cc1 72160571 XBQRNQGZUNIRFY-UHFFFAOYSA-N 233.702 2.857 0 40 BFAB CCN1CCCC[C@H]1c1cnc(O)cc1C 72218157 QADNEDNABLCVLB-LBPRGKRZSA-N 220.316 2.643 0 40 BFAB COc1ccc2c(Cl)c(C(=O)O)n(C)c2c1 72220920 JGFFSYVGFUMNMW-UHFFFAOYSA-N 239.658 2.539 0 40 BFAB CC(=O)c1ccc(F)c(F)c1Br 75927732 WDLYEXHPFCIQHE-UHFFFAOYSA-N 235.027 2.930 0 40 BFAB O=C(NC1CC1)N1CCC[C@@]2(CC=CCC2)C1 79349186 VCCJCRRYDROCDU-AWEZNQCLSA-N 234.343 2.681 0 40 BFAB COc1ccc([C@@](C)(O)C(C)C)c(C)c1 83696313 FVPHDKNHNYRCJS-ZDUSSCGKSA-N 208.301 2.867 0 40 BFAB Cc1ccc(C(=O)N[C@H]2CCCc3occc32)o1 84195080 AYRFWVCSEKGKIM-NSHDSACASA-N 245.278 2.988 0 40 BFAB O=C(c1cscn1)N1CCC[C@H]2CCC[C@H]21 87772036 HPPJLIVZOORYBH-MWLCHTKSSA-N 236.340 2.548 0 40 BFAB CC(C)=C(F)C(=O)O[C@H](C)c1cccnc1 95452016 SUQZQMQQYNSRRO-SECBINFHSA-N 223.247 2.949 0 40 BFAB Cc1ccc(NC(=O)c2cc[nH]c2C)c(C)c1O 95972494 SWFCQWXELKJCIX-UHFFFAOYSA-N 244.294 2.898 0 40 BFAB CC(C)CN(CC[C@H](N)C(C)C)CC(C)C 96523808 DNAOFHBHBSLTNN-AWEZNQCLSA-N 228.424 2.974 0 40 BFAB Cc1[nH]oc(=N)c1-c1cccc(Cl)c1 102754971 YYWRVOWFHIJXSZ-UHFFFAOYSA-N 208.648 2.716 0 40 BFAB COC(=O)N1C=N[C@@H]2[C@]3(C)C(C)=C(C)[C@@]3(C)[C@]21C 104152083 VKKNOGRYQAHSRF-CABNGKKXSA-N 248.326 2.600 0 40 BFAB O=C(O)c1noc(-c2ccccc2)c1C1CC1 166540928 PBPZWPFFWJVZKN-UHFFFAOYSA-N 229.235 2.917 0 40 BFAB CCOc1ccc(Br)nc1C 168099440 PZGZCEMQVQUPEM-UHFFFAOYSA-N 216.078 2.551 0 40 BFAB CC(C)[C@@H](NC[C@H](C)O)c1ccc(F)c(F)c1 181906420 HWMBPMPBBYBYGA-TVQRCGJNSA-N 243.297 2.632 0 40 BFAB C[C@@H](N)c1ccc(F)c(F)c1Br 216941462 HQZCRBKPCBMDBV-SCSAIBSYSA-N 236.059 2.747 0 40 BFAB Fc1ccc(N2CCN[C@H]3CCCC[C@H]32)cc1 218832878 BRBMKSIZGUKRRE-UONOGXRCSA-N 234.318 2.547 0 40 BFAB Cc1ccc(C)c(N[C@H]2CCCC[C@H]2N)c1 218862658 NZRYCRAMATYRQM-OLZOCXBDSA-N 218.344 2.985 0 40 BFAB CCn1c(CN)nc2cc(Cl)c(Cl)cc21 225294660 WEEJMMZAHBXPSZ-UHFFFAOYSA-N 244.125 2.822 0 40 BFAB COC(=O)c1cc(Cl)ccc1C(=O)C1CC1 309354788 HBOAKWPMGSZUBS-UHFFFAOYSA-N 238.670 2.719 0 40 BFAB CC(C)[C@@H](CC(F)(F)F)NC1CSC1 389285994 VPNMWOIWKRRBHC-MRVPVSSYSA-N 227.295 2.668 0 40 BFAB Oc1ccccc1-c1nc(Cl)ncc1F 953057874 NGDSFTVILDMMMU-UHFFFAOYSA-N 224.622 2.642 0 40 BFAB COC(=O)[C@H]1CC[C@H](OCc2ccccc2)CC1 1204638557 QORLPNCJJITLOL-HDJSIYSDSA-N 248.322 2.935 0 40 BFAB Oc1cc(Br)cc2cnccc12 1911531512 NYNKOQFLUAUEKH-UHFFFAOYSA-N 224.057 2.703 0 40 BFAB Cc1ncn(-c2ccc(Cl)c(Cl)c2)n1 2362803688 XVQWCVOIWVQGGV-UHFFFAOYSA-N 228.082 2.883 0 40 BFAB O=C(NCc1ccccn1)c1cccc(Cl)c1 29712 YVYDSKIWKFBNOT-UHFFFAOYSA-N 246.697 2.665 0 40 BFAB O=C1CCC2=NCc3c(ccc4ccccc34)N12 1556821 VAEXHCLPFMWNTF-UHFFFAOYSA-N 236.274 2.879 0 40 BFAB CC(=O)OCC(=O)[C@]1(C)CC[C@H](C)C1(C)C 3846170 ULLVLIKQBNKVSQ-ZANVPECISA-N 226.316 2.581 0 40 BFAB biogenic O=C(CCc1c[nH]c2ccccc12)N1CCCC1 5392397 GIKVDHLSSAUXLB-UHFFFAOYSA-N 242.322 2.723 0 40 BFAB C[C@H]1CC(=O)c2cnn(-c3ccc(F)cc3)c2C1 8570261 OTLRTEIRCPMYHR-SECBINFHSA-N 244.269 2.776 0 40 BFAB CN1C(=O)C[C@H]2c3ccccc3O[C@@]13CCC[C@@H]23 15023671 WCHBGJWZFJETEI-SLEUVZQESA-N 243.306 2.521 0 40 BFAB COC(=O)c1cc2c(OC)cccc2s1 15043020 BGXBEXAXVSOWJC-UHFFFAOYSA-N 222.265 2.697 0 40 BFAB in-vitro CCCCOC(=O)[C@]1(F)CC=CCC1 15443462 ILGWWQOHRCOPJP-NSHDSACASA-N 200.253 2.778 0 40 BFAB CCCCS(=O)(=O)Nc1ccc(C)c(F)c1 16973017 HAZHDDRUUFJOSB-UHFFFAOYSA-N 245.319 2.676 0 40 BFAB Cc1cc2ncn(CCCC(=O)O)c2cc1C 19389408 SDSUFHKARUNOQX-UHFFFAOYSA-N 232.283 2.518 0 40 BFAB O=C(O)c1ccnc(Oc2ccccc2F)c1 19812945 YIBFHACHZMITLP-UHFFFAOYSA-N 233.198 2.711 0 40 BFAB CCCNC(=O)[C@H](C)Nc1cccc(C)c1C 20312725 BBLKIIHEYSEMDG-LBPRGKRZSA-N 234.343 2.630 0 40 BFAB C1=C(CN2CCCCC2)Oc2ccccc2O1 31924119 AVJDYJIBFLCXGC-UHFFFAOYSA-N 231.295 2.785 0 40 BFAB C[C@@H](O)c1ccc(F)cc1Br 34027739 LPYZIWSUVOQESX-RXMQYKEDSA-N 219.053 2.642 0 40 BFAB COC(=O)c1cc(NC(C)C)ccc1Cl 36918992 BSRNRPYIJSBNEC-UHFFFAOYSA-N 227.691 2.947 0 40 BFAB CSc1nc(C)cc(C(F)(F)F)n1 38673132 ZHIOJNAKLYZWDI-UHFFFAOYSA-N 208.208 2.526 0 40 BFAB FC(F)(F)c1ccccc1OC[C@H]1CCNC1 42772440 GSIOSQZEYSGRMX-VIFPVBQESA-N 245.244 2.694 0 40 BFAB C[C@H](SCc1cccc2ccccc12)C(N)=O 48674961 ZEYSUOGPWAZIQP-JTQLQIEISA-N 245.347 2.947 0 40 BFAB CC(=O)Nc1ccc(Oc2ccncc2)cc1 50490391 SXGHYHSPEBRZFO-UHFFFAOYSA-N 228.251 2.832 0 40 BFAB CC(C)[C@H](N)CCN(C)C1CCCCC1 58058253 GYWLGCSROGMVQV-CYBMUJFWSA-N 212.381 2.624 0 40 BFAB CCc1nc2ccccc2n1C[C@H]1CCCCN1 62807721 ZLFNERUFAGXELK-GFCCVEGCSA-N 243.354 2.741 0 40 BFAB Cn1cc(C(=O)O)c2cccc(Cl)c21 71492551 AFXNENVQFFBDJU-UHFFFAOYSA-N 209.632 2.530 0 40 BFAB CCOCCC(=O)N[C@H](C)c1cccc(C)c1C 71908777 MYNHZNMNGXOOFZ-CYBMUJFWSA-N 249.354 2.907 0 40 BFAB CCCN1CCCC[C@@H]1c1cccnc1O 72212324 VMBGCYSVPLZYPF-GFCCVEGCSA-N 220.316 2.724 0 40 BFAB c1ccc([C@@H]2CCCN2c2ccncc2)nc1 72356930 KTCUKKXOWCASOR-AWEZNQCLSA-N 225.295 2.818 0 40 BFAB Cc1ccc(C)c(-c2noc(C)c2C(=O)O)c1 75515428 NWAFVYOAIDCKRG-UHFFFAOYSA-N 231.251 2.965 0 40 BFAB CC(C)N1CCC[C@H](c2noc(C3CC3)n2)C1 78890847 PTWIXHBLCJJFPQ-NSHDSACASA-N 235.331 2.535 0 40 BFAB CC(C)(C)OC(=O)NCCc1cccs1 82608982 POWHBKBADZKVHY-UHFFFAOYSA-N 227.329 2.815 0 40 BFAB COC(=O)c1ccc(OC)c(-c2cscn2)c1 85390080 VHWAGHPOOBQTKQ-UHFFFAOYSA-N 249.291 2.605 0 40 BFAB OCc1cc2cc(F)cc(F)c2s1 91701182 XTSSRKVRAGMBEJ-UHFFFAOYSA-N 200.209 2.672 0 40 BFAB Cc1ccc(NC(=N)c2ncccc2Cl)cn1 98175393 NTQKSYBXFAWJAP-UHFFFAOYSA-N 246.701 2.876 0 40 BFAB CN(C)C(=O)C12CCC3C[C@H](C[C@@H](C3)C1)C2 102583960 PRXBSYPABVQDAW-CBKZZEEASA-N 221.344 2.681 0 40 BFAB Cc1cc(C)cc(-c2cc(C(=O)O)no2)c1 116943242 DNVSTUWVJXXAJO-UHFFFAOYSA-N 217.224 2.657 0 40 BFAB O=C(OCCCC(F)(F)F)c1ccco1 157575633 ODBKNTDHUPHAKO-UHFFFAOYSA-N 222.162 2.779 0 40 BFAB C[C@@](O)(c1ccc(Cl)nc1)C(F)(F)F 256050498 FGJGOMWKDXZHOG-SSDOTTSWSA-N 225.597 2.505 0 40 BFAB CC(C)n1nccc1NCc1cccc(O)c1 256052107 LXZNSKIVCXGPBW-UHFFFAOYSA-N 231.299 2.782 0 40 BFAB OCc1cc(F)c(Cl)c(Br)c1 258316070 UBHPFSWVGPMZTB-UHFFFAOYSA-N 239.471 2.734 0 40 BFAB CCCOCc1ccn(C2CCCC2)n1 408715218 GMIQGUWRCLCVPG-UHFFFAOYSA-N 208.305 2.925 0 40 BFAB CCn1cc(Br)c(C(F)F)n1 408716040 IFZCIQZBGSLMGY-UHFFFAOYSA-N 225.036 2.603 0 40 BFAB O=C1Cc2ccc(O)cc2C=C2C=CC=C[C@@H]12 1569992328 YLXUQJAOSGAWTO-CQSZACIVSA-N 224.259 2.643 0 40 BFAB Cc1ccc([S@@](=O)C(F)(F)F)cc1 372179 WXCPRKMXCMQQCR-ZDUSSCGKSA-N 208.204 2.622 0 40 BFAB O[C@@H]1CCOc2ccc3ccccc3c21 827976 WWEGDCIWTPBLAU-LLVKDONJSA-N 200.237 2.656 0 40 BFAB C[C@@]1(O)c2ccccc2-c2nc3ccccc3nc21 1694671 ZJCSMEVAKGJBJA-MRXNPFEDSA-N 248.285 2.866 0 40 BFAB COc1ccc([C@@H](O)c2ccccc2)c(OC)c1 5358304 PFUFJTGCMMNQHL-HNNXBMFYSA-N 244.290 2.786 0 40 BFAB CCOC(=O)[C@@H]1c2[nH]c(C)c(C)c2S[C@@H]1C 5796547 KDAGWSDHTPDJCQ-BDAKNGLRSA-N 239.340 2.772 0 40 BFAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2)C1 6409774 ZIYABAITZZCZFQ-VXGBXAGGSA-N 217.312 2.805 0 40 BFAB CC(C)(C)C(=O)NCc1nc2ccccc2s1 12983623 ZCPPDZBIBHVAPV-UHFFFAOYSA-N 248.351 2.959 0 40 BFAB Nc1nc2c(F)ccc(Br)c2s1 15442792 LWIGNCTXUWWDDC-UHFFFAOYSA-N 247.092 2.780 0 40 BFAB C[C@@H](NN)c1ccc(-c2ccccc2)cc1 19167797 VKTGZFQIICIABI-LLVKDONJSA-N 212.296 2.878 0 40 BFAB CCCNc1ccc(C(F)(F)F)cn1 19230656 YADVIBMNOZVNEB-UHFFFAOYSA-N 204.195 2.922 0 40 BFAB CCOc1ccc([C@@H](C)NC[C@@H]2CCCO2)cc1 19963692 GWZHNODLZKJLGW-DOMZBBRYSA-N 249.354 2.915 0 40 BFAB C[C@H]1CCCCN1Cc1ccccc1CN 21952184 RNFKVHRDFQMOCR-LBPRGKRZSA-N 218.344 2.520 0 40 BFAB in-vitro CN(C)C(=O)CSc1ccccc1Cl 32838752 KTSZSIXFRHETNH-UHFFFAOYSA-N 229.732 2.520 0 40 BFAB CCOc1ccc([C@H](CN)N2CCCCC2)cc1 38638667 VFCNFXMZNXFOPY-HNNXBMFYSA-N 248.370 2.571 0 40 BFAB CC(C)CNC(=O)CCc1ccc(F)c(F)c1 40506022 KVGHGELAUISTNI-UHFFFAOYSA-N 241.281 2.670 0 40 BFAB COc1ncc(-c2ccc(C=O)s2)cc1C 40546512 LTJLHOOOWDUOQE-UHFFFAOYSA-N 233.292 2.940 0 40 BFAB C/C(=C\c1ccc(Br)o1)C(=O)O 44221916 ZGINPILGQVOXTL-SNAWJCMRSA-N 231.045 2.530 0 40 BFAB in-vitro Oc1cc(Br)c2ncccc2c1 60223543 KMPGTDGDSRRYHB-UHFFFAOYSA-N 224.057 2.703 0 40 BFAB in-vitro FC(F)(F)c1ccc(Cn2ccnc2)cc1 70163100 VGQSHPDOXRWNAO-UHFFFAOYSA-N 226.201 2.950 0 40 BFAB CC[C@@H](C)N(C)CC(=O)Nc1c(C)cccc1C 71856520 YUCPYQMGEMACHM-CYBMUJFWSA-N 248.370 2.972 0 40 BFAB COC[C@@H](C)SCc1cn2ccccc2n1 84495907 LCYUIECWXLAYFJ-SNVBAGLBSA-N 236.340 2.602 0 40 BFAB O=C(O)c1ccncc1Nc1cccc(F)c1 84514465 VMGWYRNBRMLPAD-UHFFFAOYSA-N 232.214 2.663 0 40 BFAB C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC[C@H](C2CC2)C1 89920472 QCLFIMYJAVLOSV-MGAJPHDKSA-N 221.344 2.727 0 40 BFAB CCCCc1ccc(NC(=O)CCCO)cc1 92155507 KDIYKPMCCCLOHL-UHFFFAOYSA-N 235.327 2.740 0 40 BFAB CC(C)COc1cc(CCO)cc(F)c1F 95732013 YPSCJZOAHCPUPR-UHFFFAOYSA-N 230.254 2.534 0 40 BFAB CCC[C@]12C=CC=CC1=NC=C2CCO 95932374 ZFDJODJOODCWCI-CYBMUJFWSA-N 203.285 2.620 0 40 BFAB Cc1[nH]c2ccccc2c1C(=O)OCC(F)F 95947892 OHAYVYHIPGJMJN-UHFFFAOYSA-N 239.221 2.898 0 40 BFAB NC[C@@H]1CCCCN1CCCC1CCCC1 96523609 XCTMDUXGPXQKCX-AWEZNQCLSA-N 224.392 2.770 0 40 BFAB CCC(=O)NCc1ccccc1N1CCCCC1 97047603 YHBXVXBPXPXBRR-UHFFFAOYSA-N 246.354 2.703 0 40 BFAB O=C(Nc1cc(F)ccc1O)[C@@H]1CC=CCC1 98018455 LASIGHBRVMIVPI-SECBINFHSA-N 235.258 2.826 0 40 BFAB COC(=O)c1ccc(Cl)c(F)c1C 165456804 RSXLQNGGCUMBAX-UHFFFAOYSA-N 202.612 2.574 0 40 BFAB CC(C)[C@@H](NC[C@@H](C)O)c1ccc(F)c(F)c1 181906378 HWMBPMPBBYBYGA-NOZJJQNGSA-N 243.297 2.632 0 40 BFAB Cc1ccc(Cc2ccc(C(=O)O)n2C)cc1 220536032 RILPLQUPVQGNIH-UHFFFAOYSA-N 229.279 2.623 0 40 BFAB O=Cc1cc(C(F)(F)F)ccc1S 238572443 NLTHKCJNKIPKKA-UHFFFAOYSA-N 206.188 2.807 0 40 BFAB CCn1cc(C)c(NCc2ccccc2)n1 256053213 QNOXGROLDSIQLC-UHFFFAOYSA-N 215.300 2.824 0 40 BFAB Cc1cn(C(C)C)nc1NCc1cccn1C 256054515 WPXXAAJUJVYENL-UHFFFAOYSA-N 232.331 2.723 0 40 BFAB CCOC(=O)[C@@H]1CCC[C@H](OC(F)(F)F)C1 953019105 LKFXVDNJNNKIKD-SFYZADRCSA-N 240.221 2.645 0 40 BFAB COc1cccc2c(=O)c3c(oc12)CC[C@H](C)C3 1721984 ZTZYWTNDURKHGR-VIFPVBQESA-N 244.290 2.926 0 40 BFAB CC[C@H](C)OC(=O)c1ccc(OC)cc1 2046258 DEYBTTQRVBVNIC-VIFPVBQESA-N 208.257 2.651 0 40 BFAB C/C=C/CNCCc1c[nH]c2ccccc12 2124092 JSFOUHFKYREHCB-NSCUHMNNSA-N 214.312 2.876 0 40 BFAB CCC(CC)C(=O)Nc1nnc(SC)s1 4086559 SFGCPNLWYUYWGY-UHFFFAOYSA-N 245.373 2.635 0 40 BFAB O=C(Cc1ccccc1)[C@H](O)c1ccccc1 6574958 SSCJKWMZFNHATQ-OAHLLOKOSA-N 226.275 2.532 0 40 BFAB CCC(=O)N[C@@H](C)c1cc(C)ccc1C 6741719 WTLMLAAXOBPLCL-NSHDSACASA-N 205.301 2.891 0 40 BFAB C[C@H]1C[C@@H]1C(=O)Nc1cccc2cccnc12 12972111 PIEGJDNAXPKJAG-ONGXEEELSA-N 226.279 2.829 0 40 BFAB N[C@H](COc1ccccc1)c1ccccc1 13529798 VPMNXCAPTJKWHO-CQSZACIVSA-N 213.280 2.765 0 40 BFAB in-vitro CCCSc1nc(-c2ccccc2N)n[nH]1 15524939 KGJBVZYNFYIZIL-UHFFFAOYSA-N 234.328 2.556 0 40 BFAB CC(C)C[C@@H](C)NC(=O)c1cccs1 19881377 YAUJEFWVBJVRAG-SECBINFHSA-N 211.330 2.913 0 40 BFAB c1cc2c(cc1NC1CCCC1)OCO2 19966181 QKDPTNZMYOWSLF-UHFFFAOYSA-N 205.257 2.770 0 40 BFAB O=C1c2ccccc2N=C(Cl)[C@@H]2CCCN12 22126710 OARRMOJJRGLOTO-JTQLQIEISA-N 234.686 2.574 0 40 BFAB Cc1ccc2[nH]c(CCCCCO)nc2c1 26462208 BQKCQJPPONXIDC-UHFFFAOYSA-N 218.300 2.576 0 40 BFAB NC(=O)CCSCc1cccc2ccccc12 27184036 QPZHQPKUDAEVLI-UHFFFAOYSA-N 245.347 2.948 0 40 BFAB O=C(NCc1cccs1)[C@H]1CC=CCC1 32994412 ZYTJPIJNEORIDE-JTQLQIEISA-N 221.325 2.721 0 40 BFAB CCCCc1ccc(NC(N)=S)cc1 33508050 RZJUXUZQNIADNR-UHFFFAOYSA-N 208.330 2.685 0 40 BFAB Cc1ccccc1-c1nsc(S)n1 34465416 KSRZZKBTNSCNME-UHFFFAOYSA-N 208.311 2.802 0 40 BFAB COc1ccc(NC(=O)NC2CCCCC2)cn1 36078075 CGLJVJHKZJJQOO-UHFFFAOYSA-N 249.314 2.544 0 40 BFAB O=C(c1cc2c(s1)CCCC2)N1CCCC1 36613092 MIZHLYHDXUVMTC-UHFFFAOYSA-N 235.352 2.863 0 40 BFAB c1coc(CNc2ncnc3ccsc23)c1 37375032 SLZJHIDLVBIJRE-UHFFFAOYSA-N 231.280 2.896 0 40 BFAB O[C@@H]1CCC[C@H]1Nc1ccccc1Cl 37689904 YXXTYANVBPPGJY-GHMZBOCLSA-N 211.692 2.665 0 40 BFAB CN(Cc1ccsc1)C(=O)c1ccco1 39981796 XMTCRRSVSSHMDL-UHFFFAOYSA-N 221.281 2.613 0 40 BFAB C[C@@H](OCC(F)(F)F)C(=O)Nc1ccccc1 40092842 WVHHCDAKNFEQEF-MRVPVSSYSA-N 247.216 2.593 0 40 BFAB COc1ccc([C@@H](O)c2ccco2)cc1F 40263112 QJPYAVDYYQMYJY-GFCCVEGCSA-N 222.215 2.509 0 40 BFAB O=C(O)CCCOc1ccc2c(c1)CCCC2 42417447 MRGURMJFPGFOHI-UHFFFAOYSA-N 234.295 2.809 0 40 BFAB in-vitro COC(=O)CCC(=O)c1ccc(Cl)c(F)c1 43389160 VXOHFUUXNCCYRZ-UHFFFAOYSA-N 244.649 2.615 0 40 BFAB CCC(=O)[C@@H]1C[C@H](C(C)(C)C)CCC1=O 43651711 UUOALHMQTJPKOY-ZJUUUORDSA-N 210.317 2.997 0 40 BFAB Cc1ccc(C(=O)c2cnccc2C)cc1 45028989 UUVOXOFZNXXEHX-UHFFFAOYSA-N 211.264 2.929 0 40 BFAB c1ccc(COc2cccn3cncc23)cc1 45673133 FZKNDLYOEWCOSX-UHFFFAOYSA-N 224.263 2.913 0 40 BFAB CCNCc1cc(-c2cccc(Cl)c2)[nH]n1 50479031 ZCNJCVAKLRVIIB-UHFFFAOYSA-N 235.718 2.840 0 40 BFAB CN1CCC[C@H]1c1cccnc1NC1CCC1 72213884 KKYLGXFWYHVLQD-ZDUSSCGKSA-N 231.343 2.813 0 40 BFAB CC(C)n1cc(-c2nccc(Cl)n2)cn1 72226225 ARRVVMVHHQHABJ-UHFFFAOYSA-N 222.679 2.574 0 40 BFAB O=C(O)c1cc(-c2ccc(F)c(Cl)c2)on1 82608230 XPLRIOWVXSIDCZ-UHFFFAOYSA-N 241.605 2.832 0 40 BFAB OCc1ccc(NCc2cccc(F)c2)cc1 83358022 PNZOVSHGJGIMTG-UHFFFAOYSA-N 231.270 2.930 0 40 BFAB NCc1ccc(OCc2ccccc2)cc1F 87542592 CLEDXWAHUCTSDN-UHFFFAOYSA-N 231.270 2.863 0 40 BFAB C1C[C@@H]2CN(c3nc(C4CC4)ns3)C[C@@H]2C1 89817887 BOWWEOJEOKNNMM-AOOOYVTPSA-N 235.356 2.652 0 40 BFAB CC(=O)N(C[C@@H]1CCCO1)C1CCC(C)CC1 89922630 UAUHMRPDCZAPLH-UBHUBRDASA-N 239.359 2.593 0 40 BFAB C[S@](=O)c1cccc(NCC(C)(C)C)c1 95428781 KFSGKZMGKWESHU-OAHLLOKOSA-N 225.357 2.882 0 40 BFAB Cc1cc(O)c(C(=O)c2ccccc2C)c(O)c1 96319156 YQMBGZHMGROJMA-UHFFFAOYSA-N 242.274 2.946 0 40 BFAB COCC[C@@H](N[C@H](C)c1ccco1)C(C)C 96479346 FYNFGUQRUFBRRC-VXGBXAGGSA-N 225.332 2.991 0 40 BFAB CCC1(NC(=O)c2ccc(N)c(C)c2)CCC1 97020215 NOXQTDMNPXEVKS-UHFFFAOYSA-N 232.327 2.640 0 40 BFAB CCc1cc([C@H]2CNC(=O)C2)ccc1Cl 199779392 FHZZSKQOOATRRY-SNVBAGLBSA-N 223.703 2.506 0 40 BFAB CC(C)Cn1cc([C@@H]2CCCCCN2)cn1 225775534 BHBKMVCPFKXHKT-ZDUSSCGKSA-N 221.348 2.744 0 40 BFAB CC(C)C[C@H](CO)N[C@@H]1CCC[C@@H](C)C1 226805085 ZPRLWIPTHYOSSQ-JHJVBQTASA-N 213.365 2.562 0 40 BFAB CCCCCCNCc1cnn(CC)c1F 256055108 ZFWZWNPFALSFFD-UHFFFAOYSA-N 227.327 2.712 0 40 BFAB CCCCOCc1ccnn1CCCC 408717387 ZHWDSXKRPDJOFK-UHFFFAOYSA-N 210.321 3.000 0 40 BFAB Cc1nnc(OCC2CC3(CCC3)C2)s1 585652935 ZDYKRQMZRUGPLC-UHFFFAOYSA-N 224.329 2.806 0 40 BFAB CC(C)c1ccc(C(=O)NC[C@@H]2CCCO2)cc1 1284117 LCEWNOJXBYPNKU-AWEZNQCLSA-N 247.338 2.719 0 40 BFAB CC(C)(C)c1ccc(COn2ccnc2)cc1 1406284 DXWYPOLRGKWBOK-UHFFFAOYSA-N 230.311 2.809 0 40 BFAB CCCC[C@](O)(CC(=O)O)c1ccccc1 1561868 MUETUGGWZBQYCH-ZDUSSCGKSA-N 222.284 2.539 0 40 BFAB NC(=O)C1(Nc2ccccc2Cl)CCCC1 1683937 DTHALSGIHBPYKS-UHFFFAOYSA-N 238.718 2.550 0 40 BFAB O=C(Nc1nccs1)c1cc(F)cc(F)c1 3324599 YYBZJZCHTFQXEB-UHFFFAOYSA-N 240.234 2.674 0 40 BFAB CC(=O)c1cccc(NC(=O)c2ccccn2)c1 3561809 IUWGCZRWZHLYMS-UHFFFAOYSA-N 240.262 2.537 0 40 BFAB CC(C)/N=c1\cccccc1NC(C)C 4828282 AELLFKPPLQHPRV-UHFFFAOYSA-N 204.317 2.816 0 40 BFAB C[C@]12CCCC[C@H]1C(=O)C2(Cl)Cl 5813301 STZDLDHQOXCLNP-XPUUQOCRSA-N 207.100 2.940 0 40 BFAB CCCCCNC(=O)[C@H](OC)c1ccccc1 6320385 NGTODQFLMRBKOK-CYBMUJFWSA-N 235.327 2.681 0 40 BFAB O=C(Nc1cccc2ccccc12)[C@@H]1CCCO1 6342544 FIZSHMVDQNLWQD-AWEZNQCLSA-N 241.290 2.957 0 40 BFAB CCC[C@H](C)NC(=O)[C@@H](OC)c1ccccc1 6946949 LFMCEOXMCOUKHF-AAEUAGOBSA-N 235.327 2.679 0 40 BFAB CCCCCNCc1cccc(OC)c1 7261333 RETXYKQOGVHOAK-UHFFFAOYSA-N 207.317 2.975 0 40 BFAB COc1ccc(NC(=O)[C@@H]2CC=CCC2)cc1 7652324 SPEBUFWPYUKDBU-LLVKDONJSA-N 231.295 2.990 0 40 BFAB CC[C@H](C)NCc1ccc(OC)cc1OC 8326755 MTNRVSGVXMTQOC-JTQLQIEISA-N 223.316 2.592 0 40 BFAB O=C1OCC[C@H]1SCc1ccc(Cl)cc1 12925555 QCHGMJAJGSQHRO-SNVBAGLBSA-N 242.727 2.889 0 40 BFAB CCOC(=O)/C=C1\CCCc2ccccc21 19721641 SORDZZGVEVKHSU-ZRDIBKRKSA-N 216.280 2.969 0 40 BFAB Cc1c(C=O)c(C)n(Cc2ccco2)c1C 22122457 GPEQHJSLTKAIIU-UHFFFAOYSA-N 217.268 2.867 0 40 BFAB CN(C(=O)C1CCC1)C1CCCCCC1 32857948 CZADHJJENXVGOF-UHFFFAOYSA-N 209.333 2.968 0 40 BFAB O=c1[nH]c2cc(F)ccc2n1Cc1ccccc1 34458251 AGKKIEUWUONHQS-UHFFFAOYSA-N 242.253 2.517 0 40 BFAB CCc1c(-c2ccc(C)cc2C)nn(C)c1N 36916235 DTSJRNOCRHDOBY-UHFFFAOYSA-N 229.327 2.849 0 40 BFAB CCOCCCN[C@H](C)C1CCCCC1 37214682 PJEIWGLAJLCGKS-GFCCVEGCSA-N 213.365 2.971 0 40 BFAB CCN[C@H](Cc1ccccn1)c1ccccc1 37535404 SPBDLAUONJHXNB-OAHLLOKOSA-N 226.323 2.975 0 40 BFAB CCC(O)(CC)c1ccc(Br)cn1 38247266 KXMCEUJUPPBSTO-UHFFFAOYSA-N 244.132 2.852 0 40 BFAB CC1CCC(CN)(N2CCCCCC2)CC1 39034764 ZUCZUKWXTNZAFK-UHFFFAOYSA-N 224.392 2.770 0 40 BFAB in-vitro CN1CCC(c2noc3ccccc23)CC1 39389883 OVRZIEZGJIVDFK-UHFFFAOYSA-N 216.284 2.637 0 40 BFAB in-vitro Cc1cc(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)on1 40473408 RNGUBFLCWHVTMN-VXGBXAGGSA-N 248.326 2.635 0 40 BFAB CCc1cc(Cl)c(OC)c(C(=O)O)c1 57339095 WLYXFXYHUHJLID-UHFFFAOYSA-N 214.648 2.609 0 40 BFAB C[C@@H]1C[C@H]1C(=O)NCCc1ccccc1Cl 67084377 UEKGVEDTFXERPX-MWLCHTKSSA-N 237.730 2.655 0 40 BFAB CC1CCC2(CC1)N=C(c1ccccc1)C(=O)N2 67172377 BEDOAEXLFNFZNW-UHFFFAOYSA-N 242.322 2.512 0 40 BFAB O=C(N[C@H]1CCCOc2ccccc21)C1CCC1 69515133 YHHABJQIFWCFDG-ZDUSSCGKSA-N 245.322 2.817 0 40 BFAB c1ccc2c(c1)Nc1nnccc1S2 71255455 LYRYVZJEYZQBGZ-UHFFFAOYSA-N 201.254 2.685 0 40 BFAB Nc1cccc(Oc2ccc(O)cc2)c1 82184340 OCIFZAYFRDCERT-UHFFFAOYSA-N 201.225 2.767 0 40 BFAB Cc1cccc(Oc2ccc(C(=O)O)nc2)c1 84019113 ZRQXMHPBSDUCER-UHFFFAOYSA-N 229.235 2.881 0 40 BFAB CCCCOc1cc(C(=O)O)ccc1F 95732457 JHOFIGXVHKITBR-UHFFFAOYSA-N 212.220 2.703 0 40 BFAB c1ccc2c(c1)C[C@@H](CN1CCCCCC1)N2 96524017 BQLJXLWAIQWMFI-AWEZNQCLSA-N 230.355 2.899 0 40 BFAB C[C@@H](c1ccccn1)N(C)Cc1ccc(O)cc1 97104730 SRUYJBOJYFGVJP-LBPRGKRZSA-N 242.322 2.980 0 40 BFAB C[C@H](C[C@@H]1CCCO1)NCc1ccccc1 102430394 MTVXFLVYHHKCFY-OCCSQVGLSA-N 219.328 2.734 0 40 BFAB Clc1ccc(Cl)c(Cn2ccnn2)c1 128057423 YZVHICMVSRIZHG-UHFFFAOYSA-N 228.082 2.633 0 40 BFAB c1csc(-c2ccc([C@@H]3CCCNC3)nc2)n1 205686388 SSIDHXNCIZQTAW-SNVBAGLBSA-N 245.351 2.672 0 40 BFAB CC[C@H](C(=O)O)N(CC)c1ccccc1C 224980739 SDFISTWPZRYKDF-LLVKDONJSA-N 221.300 2.685 0 40 BFAB Fc1ccc(CN2CCN[C@@H]3CCCC[C@@H]32)cc1 225712457 YOEMQQJWCGJVPD-CABCVRRESA-N 248.345 2.542 0 40 BFAB CCN(CC)C(=O)c1oc2ccccc2c1OC 252508729 XRXDWLJLSMEUQK-UHFFFAOYSA-N 247.294 2.923 0 40 BFAB COc1cccc(-c2ccc(C(C)=O)c(O)n2)c1 253536332 NFPHIBJUPLLPSH-UHFFFAOYSA-N 243.262 2.665 0 40 BFAB O=C(CC1CC1)Nc1cccc(F)c1F 334379693 YVKNBPJCZRKDIV-UHFFFAOYSA-N 211.211 2.703 0 40 BFAB CSCCC(=O)c1ccccc1OC(C)=O 393764618 GEFJNWRVRXRQLH-UHFFFAOYSA-N 238.308 2.548 0 40 BFAB CC(C)c1ccc(N[C@@H]2CC[C@@H]2O)cc1 585299011 ZHMMKSMECCOPJH-OLZOCXBDSA-N 205.301 2.745 0 40 BFAB CCC[C@@H](C(=O)c1ccccc1)n1cncn1 99053 GIASLOOCOYGRGM-LBPRGKRZSA-N 229.283 2.502 0 40 BFAB CCCCC(CC)(CC(=O)O)CC(=O)O 1666779 RJXLYYKVMAEUKZ-UHFFFAOYSA-N 216.277 2.522 0 40 BFAB CCOc1ccc([C@H]2OC[C@@H](C)O2)cc1OC 1677884 FLQVOGLTZVMLFX-RNCFNFMXSA-N 238.283 2.528 0 40 BFAB c1ccc(C2(c3ccccc3)OCCO2)cc1 1723193 HRTCGZZYZFEBHO-UHFFFAOYSA-N 226.275 2.935 0 40 BFAB CCCCN(C)Cc1ccc(OC)cc1OC 4680643 REJZOPOPKIQYCS-UHFFFAOYSA-N 237.343 2.936 0 40 BFAB Cc1cc(C)c2ccc(NC(=O)C3CC3)nc2n1 4931754 WKOMMRRZSVXIKM-UHFFFAOYSA-N 241.294 2.595 0 40 BFAB Cc1cc(O)c2c3c(c(=O)oc2c1)CC[C@H](C)C3 6521481 WPWQMODURBITKV-QMMMGPOBSA-N 244.290 2.932 0 40 BFAB Cc1ccc(NC(=O)c2ccc(Cl)nc2)nc1 12545802 WAXQVSUYSSBXJQ-UHFFFAOYSA-N 247.685 2.691 0 40 BFAB CC[C@H](N[C@H](C)COC)c1ccccc1 19904527 IIBMQZZXJOXUJV-YPMHNXCESA-N 207.317 2.762 0 40 BFAB CC(C)NC(=O)N[C@@H](C)c1ccc(F)cc1 20538293 IKTZCKINWDCUSW-VIFPVBQESA-N 224.279 2.594 0 40 BFAB Cc1cc(C(=O)N2[C@H](C)CCC[C@H]2C)ccc1N 22163440 DYUDATXXRCFYNT-VXGBXAGGSA-N 246.354 2.980 0 40 BFAB CC[n+]1c(C)csc1Nc1ccc(O)cc1 26570186 OBNDIZYXTVWEKW-UHFFFAOYSA-O 235.332 2.813 0 40 BFAB CCc1ccc2occ(CC(=O)N(C)C)c2c1 27587564 PHTCAPWQNTVREH-UHFFFAOYSA-N 231.295 2.626 0 40 BFAB CC(C)(C)C(=O)O[C@@H](N)/C=C\c1ccccc1 31872292 PDQVZGAHPRRODS-ZWLSGLHFSA-N 233.311 2.574 0 40 BFAB C[C@@H](C1CC1)N(C)c1ncnc2ccsc12 32906790 LSGZSUHZIDMBKU-QMMMGPOBSA-N 233.340 2.926 0 40 BFAB Cc1ccc(Cc2sc(N)nc2C)cc1 35250896 MFTOOONJCLCDST-UHFFFAOYSA-N 218.325 2.933 0 40 BFAB in-vitro Cc1cc(CCCO)cc(C(C)(C)C)c1O 38189461 BHVGRRDNGXMZNS-UHFFFAOYSA-N 222.328 2.923 0 40 BFAB C[C@@H](Cc1ccco1)NC(=O)CC(C)(C)C 40074725 PZOFYOKWBUCVJF-JTQLQIEISA-N 223.316 2.763 0 40 BFAB OCc1cnc(-c2ccc(C(F)(F)F)cc2)[nH]1 43179083 DVEQZFWQWROYLJ-UHFFFAOYSA-N 242.200 2.588 0 40 BFAB CC(C)CCC(=O)N1CCO[C@@H]2CCCC[C@H]21 46488811 WHQLYCLIFYTQKW-CHWSQXEVSA-N 239.359 2.593 0 40 BFAB CCCC(=O)NCc1ccc(OC(F)F)cc1 47531516 RGRWFAKZAIICKB-UHFFFAOYSA-N 243.253 2.704 0 40 BFAB C[C@@H]1CN(Cc2ccc(Cl)s2)CCO1 54172114 LHYSCNOKLCMHFS-MRVPVSSYSA-N 231.748 2.622 0 40 BFAB CC(C)CCCNC(=O)N1CCC(C)CC1 59308145 XHPKLJDSIPFVAV-UHFFFAOYSA-N 226.364 2.864 0 40 BFAB CNC/C=C/c1ccc(C(F)(F)F)cc1 70453065 HJLVXCRDKLOVCQ-NSCUHMNNSA-N 215.218 2.938 0 40 BFAB Nc1cc(-c2ccccc2)nn1C1CCC1 71792094 RMYNGKAGNQSNMG-UHFFFAOYSA-N 213.284 2.857 0 40 BFAB CN1CCC[C@@H]1c1ccc2[nH]ccc2c1 72221717 VGTWTHZUHFDFKP-CYBMUJFWSA-N 200.285 2.935 0 40 BFAB CC(C)(C(=O)O)c1ccc(Cl)cc1F 75934424 LCPPRRNODFGFNM-UHFFFAOYSA-N 216.639 2.841 0 40 BFAB in-vitro c1ccc(CN2CC[C@H](C3CCNCC3)C2)cc1 79065881 BGWCNBKHNSXEKS-INIZCTEOSA-N 244.382 2.508 0 40 BFAB O=C(O)c1ccc(Oc2ccc(F)cc2)cn1 84037320 CQXXSEZKPPQQHT-UHFFFAOYSA-N 233.198 2.711 0 40 BFAB C[C@@H]1C[C@H]1C(=O)N(C1CCCC1)C1CC1 89920374 PLVBODNSYBCJJQ-BXKDBHETSA-N 207.317 2.576 0 40 BFAB c1ccc(CN2CC[C@H]3CCCC[C@@H]32)nc1 95351188 XDENLTKWXPKCCT-OCCSQVGLSA-N 216.328 2.846 0 40 BFAB COc1cccc(OCCn2cnc(C)c2C)c1 95433782 BJPASJRTCZBTHV-UHFFFAOYSA-N 246.310 2.588 0 40 BFAB CN(C(=O)NC[C@@H]1C[C@@H]1c1ccccc1)C1CC1 96406269 JVOYSBMXQWTRLV-GXTWGEPZSA-N 244.338 2.594 0 40 BFAB CC[C@H](C)N(C(=O)[C@@H]1CCO[C@@H]1C)[C@H](C)CC 97148317 ZKNSKAIPTUAXLN-YVECIDJPSA-N 241.375 2.837 0 40 BFAB C[C@@H]1CN(Cc2csnn2)c2ccccc21 97236466 RRLDREGZPUUFBV-SECBINFHSA-N 231.324 2.662 0 40 BFAB O=N[C@H]1Nc2c(Cl)cc(Cl)cc2C1=O 101163308 HDJXIKRIECBEEO-MRVPVSSYSA-N 231.038 2.694 0 40 BFAB C[C@@H](NC(=O)c1ccco1)[C@H]1C[C@@H]2CC[C@@H]1C2 101716971 TWAOWPQGQVRSDB-DDHJBXDOSA-N 233.311 2.834 0 40 BFAB COc1ccc(-c2ccccc2)cc1C(=N)N 107839734 FIQUGXUDGMYSBA-UHFFFAOYSA-N 226.279 2.646 0 40 BFAB CCCC(=O)Nc1cc(N)ccc1N(CC)CC 226260486 CZXHULZULMAQMT-UHFFFAOYSA-N 249.358 2.854 0 40 BFAB CN1C[C@@H]2CCCO[C@H]2c2ccccc21 248083494 QZIRJZYDWHZQFQ-GXFFZTMASA-N 203.285 2.604 0 40 BFAB CC(C)=CC(=O)c1ccc(F)c(C#N)c1 379796427 IQHFIRPMKHJVGE-UHFFFAOYSA-N 203.216 2.846 0 40 BFAB O=C(c1ccoc1)N1CC[C@@H](c2ccsc2)C1 675008188 HJEACWQDLLOCAX-SNVBAGLBSA-N 247.319 2.971 0 40 BFAB CSc1nc(Cl)c2cc(Cl)[nH]c2n1 1580014 AYLKWJLSXAICBZ-UHFFFAOYSA-N 234.111 2.987 0 40 BFAB C[C@H](CN(C)C)C(=O)c1cn(C)c2ccccc12 2043342 RWFPJKFBNPDMCR-LLVKDONJSA-N 244.338 2.559 0 40 BFAB COc1ccc(/C=C/CO)cc1C(C)(C)C 2573106 FZACNYKMFXIZIZ-AATRIKPKSA-N 220.312 2.998 0 40 BFAB O=C(CSc1ncccn1)c1ccccc1F 3277483 VBQAMQXHIIPFKP-UHFFFAOYSA-N 248.282 2.591 0 40 BFAB COC(=O)Nc1nnc(-c2ccc(C)cc2)s1 4694968 BTTAEALEVRXXGR-UHFFFAOYSA-N 249.295 2.692 0 40 BFAB O=C1[C@H]2CC[C@@H]1c1c(F)c(F)c(F)c(F)c12 5631088 PRQHCVAXAMLDMF-ZXZARUISSA-N 230.160 2.787 0 40 BFAB O=Cc1cccc(OC(=O)Cc2ccccc2)c1 5772997 CIDIPODWGFARGS-UHFFFAOYSA-N 240.258 2.647 0 40 BFAB Cc1cc(C(=O)NCc2cccnc2)c(C)s1 8725748 PSCAZPJNDHZHDC-UHFFFAOYSA-N 246.335 2.690 0 40 BFAB Cc1ccc([C@@H](O)c2ccc(N)cc2)cc1C 19780081 ZKWBCYYFFMHRIV-HNNXBMFYSA-N 227.307 2.967 0 40 BFAB CC(C)(C)NC(=O)c1ccc(OC(F)F)cc1 32666434 NJBHHYGBLYXKTQ-UHFFFAOYSA-N 243.253 2.816 0 40 BFAB CN(CC1CCCCC1)C(=O)c1ccccn1 32753010 LSHJVWKGODWSPF-UHFFFAOYSA-N 232.327 2.734 0 40 BFAB N[C@H]1C[C@H]1c1cccc(Cl)c1Cl 37381219 QFCFGKISIRTOOJ-XPUUQOCRSA-N 202.084 2.808 0 40 BFAB C=CC(=O)N1CCC[C@H]1c1cccc(OC)c1 37829551 AZRYKLSURDMFOQ-ZDUSSCGKSA-N 231.295 2.545 0 40 BFAB CCCNC(=O)CCSc1ccccc1F 52736158 PCXQMOPGNBYAHV-UHFFFAOYSA-N 241.331 2.834 0 40 BFAB CCn1nc(C)c2nc(C)nc(NCC(C)C)c21 57312607 FKOZLVWOBCZQBS-UHFFFAOYSA-N 247.346 2.531 0 40 BFAB CN[C@@H](C)Cc1ccccc1C(F)(F)F 63034176 ZSRJJIFPPXTXSE-QMMMGPOBSA-N 217.234 2.856 0 40 BFAB in-vitro CC[C@H](C)Nc1ccc([C@H]2CCCN2)cn1 72213472 NLIZWKVVMGGVPG-CMPLNLGQSA-N 219.332 2.717 0 40 BFAB CCc1ccc([C@@H](CC)OCCN)cc1 72220038 XHFADAFUNDHRLK-CYBMUJFWSA-N 207.317 2.675 0 40 BFAB O[C@@H](C[C@@H]1CCCCCN1)c1ccccc1 72312134 VKSOBYQYHWOSEY-KBPBESRZSA-N 219.328 2.642 0 40 BFAB in-vitro NC(=O)[C@H]1C[C@@H]1c1c(Cl)cccc1Cl 72406714 CFLBFLXWOILGEH-WDSKDSINSA-N 230.094 2.582 0 40 BFAB O=C(OCc1ccsc1)c1ccco1 78948963 MYHFHZBIINYCOL-UHFFFAOYSA-N 208.238 2.698 0 40 BFAB O=C(O)C1(c2cc(F)ccc2F)CCCC1 83049135 ARSUDDLYOOYHRN-UHFFFAOYSA-N 226.222 2.861 0 40 BFAB FC(F)(F)c1ccc([C@H]2CCCCN2)cn1 95718866 CLYLIVWZDKBKNO-SECBINFHSA-N 230.233 2.915 0 40 BFAB CC(C)(O)c1ccc(Br)cc1F 96171921 CCWCTVRHFBDISJ-UHFFFAOYSA-N 233.080 2.816 0 40 BFAB C[C@@H]1CC[C@@H]1COc1cccc(C=O)c1 96526397 IKELRPQMBWGXQG-ZYHUDNBSSA-N 204.269 2.924 0 40 BFAB CC(C)(C)c1ccc([C@@H](NN)C2CC2)cc1 161796818 ZLIDJJDFEJKIHX-ZDUSSCGKSA-N 218.344 2.899 0 40 BFAB CC[C@@H](C(=O)O)N(CC)c1ccc(C)cc1C 224982447 SAFLABJUXMESMZ-LBPRGKRZSA-N 235.327 2.993 0 40 BFAB Oc1cnc2cc(C(F)(F)F)ccc2c1 238692569 QFPNRCYWLIESGH-UHFFFAOYSA-N 213.158 2.959 0 40 BFAB CC[C@H](C)[C@H](N)CN1CC[C@@H]2CCCC[C@H]2C1 252470011 KKIVHKXLMQQSPC-ZQDZILKHSA-N 238.419 2.872 0 40 BFAB CCOC(=O)c1ccc(C(=O)[C@H](C)CC)o1 390243196 IIARTPRGZBYMBO-MRVPVSSYSA-N 224.256 2.685 0 40 BFAB CCNC(=O)NCC1CCc2ccccc2CC1 527632619 QUPDXHRSIXUBDK-UHFFFAOYSA-N 246.354 2.501 0 40 BFAB NC(=O)c1ccccc1CC1=CCCCC1 1713743 FEPGMASKFFUWJZ-UHFFFAOYSA-N 215.296 2.828 0 40 BFAB N[C@@H](CCCCC1CCCCC1)C(=O)O 2042740 UHGPNAIDGYOJHF-NSHDSACASA-N 213.321 2.539 0 40 BFAB Cc1nc2ccc(NC(=O)c3ccco3)cc2[nH]1 4901426 SGPCYTHVYDJXOZ-UHFFFAOYSA-N 241.250 2.717 0 40 BFAB CON1C(=O)[C@H](c2ccccc2)c2ccccc21 5760861 DKMGIOVHLOPBBU-CQSZACIVSA-N 239.274 2.727 0 40 BFAB Cc1ccccc1OCC(=O)N1CCC[C@H](C)C1 6504776 ISFXIXIEMQPWBZ-LBPRGKRZSA-N 247.338 2.632 0 40 BFAB C[C@@H](NC(=O)C1CCC1)c1ccccc1F 12915289 AALLHYHMGIWUSB-SECBINFHSA-N 221.275 2.803 0 40 BFAB O=C(NCc1ccccc1)c1ccnc(Cl)c1 19813631 GPHOZXHUZVPYJC-UHFFFAOYSA-N 246.697 2.665 0 40 BFAB in-vitro CCOc1ccc([C@@H](C)CC(=O)O)cc1 20260008 SLOQGILGNKXAEI-VIFPVBQESA-N 208.257 2.664 0 40 BFAB CCn1cc(NCc2cccc(O)c2)c(C)n1 20352775 YEBANNWGSACWEM-UHFFFAOYSA-N 231.299 2.529 0 40 BFAB Nc1ccc(Cl)c(N2CCCCC2)c1 32012446 JAYJKNALYGJJIK-UHFFFAOYSA-N 210.708 2.913 0 40 BFAB C[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccncc1 32787691 AKYARILXZCLJMB-DGCLKSJQSA-N 232.327 2.732 0 40 BFAB CCC[C@@H]1Oc2ccc(Cl)cc2NC1=O 35372469 RAOBFSVCLVSPBQ-JTQLQIEISA-N 225.675 2.840 0 40 BFAB CC(C)Cn1cnc(-c2ccccc2)cc1=O 38518038 PLFAGQTVGJYVMK-UHFFFAOYSA-N 228.295 2.566 0 40 BFAB CC1(C)CC(=O)c2cnn(C(C)(C)C)c2C1 39281290 BTNVIVJOABVWKG-UHFFFAOYSA-N 220.316 2.793 0 40 BFAB CCCCCCNC(=O)Nc1cc(C)on1 40474240 MNAGGUZJGYRKST-UHFFFAOYSA-N 225.292 2.685 0 40 BFAB CC(C)c1noc(CN2C[C@@H](C)C[C@@H](C)C2)n1 40489568 QNDWTSIRDGQICF-PHIMTYICSA-N 237.347 2.671 0 40 BFAB O=C(Nc1cccc(OC(F)F)c1)NC1CC1 47908626 NZULLLFMGLQTOU-UHFFFAOYSA-N 242.225 2.572 0 40 BFAB CCC(=O)c1cc(Br)cc(F)c1O 52068476 XSUDZPZKGXGDJV-UHFFFAOYSA-N 247.063 2.887 0 40 BFAB C[C@H]1CCCN(C(=O)CCNc2ccccc2)C1 58264921 BFBNZVYCANYACQ-ZDUSSCGKSA-N 246.354 2.747 0 40 BFAB O=C(CCNc1ccccc1)N1CCCCCC1 58326179 PEJLTBUWUXKCNC-UHFFFAOYSA-N 246.354 2.891 0 40 BFAB Cc1ccc2ccc(C(=O)O)c(O)c2c1 64219841 MJCAOFBJBIOPCG-UHFFFAOYSA-N 202.209 2.552 0 40 BFAB CCN(CC)C(=O)/C=C/c1cccc(F)c1 65521468 KASHECISPCZYEU-CMDGGOBGSA-N 221.275 2.707 0 40 BFAB Cc1nc(C(=O)Oc2ccccc2C)cs1 69311963 KUMRWMVGMJPVPG-UHFFFAOYSA-N 233.292 2.979 0 40 BFAB CCCc1noc(COc2ccc(OC)cc2)n1 71851815 XBXWURRKCBIIMZ-UHFFFAOYSA-N 248.282 2.610 0 40 BFAB CC(C)CN(CC(C)C)C(=O)NC(C)C 71887817 SRNGVXMAMJAYAW-UHFFFAOYSA-N 214.353 2.718 0 40 BFAB O=C(O)C1(c2cc(-c3cccs3)on2)CCC1 72220597 ALVHDMATXKOSPD-UHFFFAOYSA-N 249.291 2.909 0 40 BFAB CC[C@H]1C[C@H](C)CN1CCN1CCCCC1 80660066 OEYPFPDYDWDACF-KBPBESRZSA-N 224.392 2.593 0 40 BFAB CCCc1ccc(C(=O)c2ncco2)cc1 85651149 ABLNLEMDZDCPIR-UHFFFAOYSA-N 215.252 2.858 0 40 BFAB C[C@@H](OC[C@@H]1CO1)c1ccccc1Cl 95096296 VXMLTYLWVSYVCV-RKDXNWHRSA-N 212.676 2.816 0 40 BFAB CCOC(=O)CCCCOc1ccccc1F 95733798 BUEZXVZRRUTKAL-UHFFFAOYSA-N 240.274 2.938 0 40 BFAB O=C1Nc2cccc(C(F)(F)F)c2C12CC2 96028810 QJJZLLATCFMVDN-UHFFFAOYSA-N 227.185 2.689 0 40 BFAB C[C@H](O)Cc1cc(Cl)cc(Cl)c1 96543438 DWEGNEQLANUCFS-LURJTMIESA-N 205.084 2.917 0 40 BFAB C[C@@H](NCC(F)(F)F)[C@H]1COc2ccccc21 97112629 WLMHYKNGEVSKHK-PSASIEDQSA-N 245.244 2.703 0 40 BFAB Cc1ccc([C@@]2(O)C[C@H](C)N(C)C[C@H]2C)cc1 100811722 CFZMSXAIXMGEAH-VNHYZAJKSA-N 233.355 2.543 0 40 BFAB CCCNC(=O)c1ccc2nc(C)sc2c1 108050669 ZZKJDMIGFDGZAD-UHFFFAOYSA-N 234.324 2.745 0 40 BFAB C[C@H](O)CN[C@H]1CCCC[C@H]1C(C)(C)C 131743804 JTAJUVKDCWLJQJ-TUAOUCFPSA-N 213.365 2.562 0 40 BFAB Cc1ncc(-c2nnc(-c3cccs3)o2)cn1 216613442 YCOZXORVPPAWDK-UHFFFAOYSA-N 244.279 2.564 0 40 BFAB c1cc(SCC2CCOCC2)ccn1 335913390 TXKZOLIELGINET-UHFFFAOYSA-N 209.314 2.600 0 40 BFAB Cc1ccc([C@@]2(C)OCC[C@H](C)O2)cc1 1678004 BYGJZFXGXMYVFD-AAEUAGOBSA-N 206.285 2.993 0 40 BFAB CCO[C@@H](C)Oc1ccc(CCC(C)=O)cc1 2048075 WOHZHDVKCSGTFE-GFCCVEGCSA-N 236.311 2.970 0 40 BFAB C1CCN(C2C3CC4CC(C3)CC2C4)C1 2345159 DJDZRELWTNTTBL-UHFFFAOYSA-N 205.345 2.907 0 40 BFAB O=C(CCC1OCCCO1)c1ccc(F)cc1 2581211 MUFKOXUVQXHNHJ-UHFFFAOYSA-N 238.258 2.552 0 40 BFAB CCCOc1ccc(CCCC(=O)O)cc1 5469418 VXCJEUYRZUADBW-UHFFFAOYSA-N 222.284 2.883 0 40 BFAB O=Cc1cnc(Nc2cccc(Cl)c2)nc1 8730957 FMLFDHQHEKYGIU-UHFFFAOYSA-N 233.658 2.686 0 40 BFAB CSc1nnc(COc2ccccc2C)o1 9198644 FKMSWXUQUOOVEU-UHFFFAOYSA-N 236.296 2.679 0 40 BFAB Cc1ccc(C=O)n1-c1ccc(F)cc1 9261671 SHUXXGZRIZMUCU-UHFFFAOYSA-N 203.216 2.737 0 40 BFAB O=C(NCc1ccc(F)cc1)[C@@H]1CC=CCC1 9335592 ZFVADNVABPQYOS-GFCCVEGCSA-N 233.286 2.798 0 40 BFAB Sc1nnc(NCCc2cccs2)s1 12504981 FTFAPWVWFHWHGG-UHFFFAOYSA-N 243.382 2.543 0 40 BFAB CCc1cccc(OC[C@H]2CCCNC2)c1 14631231 QZIVGXIGNUNBSW-ZDUSSCGKSA-N 219.328 2.627 0 40 BFAB Clc1ccc(O[C@H]2CCNC2)cc1Cl 14632176 ZRYMANOGJMYQPM-QMMMGPOBSA-N 232.110 2.734 0 40 BFAB in-vitro COC[C@@H](C)NCc1c(F)cccc1Cl 19905013 JOJDAVAEAGCVEF-MRVPVSSYSA-N 231.698 2.604 0 40 BFAB Cc1noc2ncnc(N[C@H]3CCCC[C@H]3C)c12 21531586 RIHMUTYAOUZJTM-SCZZXKLOSA-N 246.314 2.917 0 40 BFAB CC(=O)N[C@@]1(C)CC[C@H]2C[C@@H]1C(C)=NC2(C)C 31829900 AKRBICRIVVVNDO-SCRDCRAPSA-N 236.359 2.551 0 40 BFAB CC(C)CCn1nc(-c2ccco2)ccc1=O 38790732 VOXYXXZPIDJYQM-UHFFFAOYSA-N 232.283 2.549 0 40 BFAB CCNC(=O)CSCc1ccc(Cl)cc1 41103872 SZUSEFHWUDOXEH-UHFFFAOYSA-N 243.759 2.709 0 40 BFAB O=C(NCC(F)(F)F)c1cccc(Cl)c1 42236824 QMAJARGUVNEIPL-UHFFFAOYSA-N 237.608 2.632 0 40 BFAB CCOc1ccc([C@@H](O)C(F)(F)F)cc1 42268299 DXDZDJCNLJXFQC-SECBINFHSA-N 220.190 2.681 0 40 BFAB Cc1nc(Cl)cc(SC(C)C)n1 52837800 SFLRZKWDVIUXGS-UHFFFAOYSA-N 202.710 2.939 0 40 BFAB Cc1cc(C)cc(NCC(=O)N2CCCCC2)c1 58374125 XBOPNPQWEDSKDP-UHFFFAOYSA-N 246.354 2.728 0 40 BFAB CC[C@@H](C)Oc1ccc(CNCCOC)cc1 62729042 DCLVRCSYRLDRAS-GFCCVEGCSA-N 237.343 2.600 0 40 BFAB O=C(O)c1conc1-c1ccccc1Cl 71531425 AQWBKHMEWKOZNE-UHFFFAOYSA-N 223.615 2.693 0 40 BFAB CCOc1ccc(-c2cc(O)on2)cc1OCC 71976654 QDYUZDBALPIAHZ-UHFFFAOYSA-N 249.266 2.845 0 40 BFAB COc1cccc(OC)c1[C@@H]1CCCCN1C 72221433 DXYHXYJUDNJIHZ-NSHDSACASA-N 235.327 2.861 0 40 BFAB N[C@@H]1CCCC[C@@H]1NCc1ccccc1Cl 72411135 IBXAZXXRKXCENX-OLZOCXBDSA-N 238.762 2.700 0 40 BFAB CCCC(=O)NCc1cc(C(CC)CC)no1 76040943 JZMGUIOEVNJVQQ-UHFFFAOYSA-N 238.331 2.995 0 40 BFAB COC[C@H](NCc1ccc(C)o1)c1ccc(C)o1 78975468 PLXVAVXHVDNDLR-ZDUSSCGKSA-N 249.310 2.967 0 40 BFAB CC(C)C[C@H](C)N(C)c1cc(Cl)nc(N)n1 88300389 JREKWRWXTQVBGB-QMMMGPOBSA-N 242.754 2.583 0 40 BFAB Cc1cccc(C(=O)N2CCC[C@H]3CCC[C@H]32)n1 89688915 TWQCUDIFGZLDPJ-TZMCWYRMSA-N 244.338 2.795 0 40 BFAB CSc1nc(Cl)ncc1C(F)(F)F 90557011 BLIPNZWEKHPXMU-UHFFFAOYSA-N 228.626 2.871 0 40 BFAB CCCCOc1ccc2ncc(C(N)=O)cc2c1 96345688 ZLAQNQGVEQOXMA-UHFFFAOYSA-N 244.294 2.513 0 40 BFAB C[C@@H](N[C@H]1CCC[C@@H]1CO)c1ccccc1F 96478428 RGZVTHKOFJMHRZ-GYSYKLTISA-N 237.318 2.637 0 40 BFAB CCS(=O)(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 96510152 OOJNVQMEZFFVKW-WDEREUQCSA-N 244.743 2.631 0 40 BFAB O=C1NC[C@@H](c2ccccc2)Cc2ccccc21 96524361 MGBPQWZFLMTGHT-AWEZNQCLSA-N 237.302 2.756 0 40 BFAB Cc1ccccc1CSCCNC(=O)C1CC1 225382833 CDWSXRRMYVEZMT-UHFFFAOYSA-N 249.379 2.754 0 40 BFAB Cc1ccc(N2CCN[C@H]3CCC[C@@H]32)cc1C 225716668 TVCLCARITZTDNE-GJZGRUSLSA-N 230.355 2.634 0 40 BFAB Cc1cccc(COC(=O)c2csnc2C)n1 252511311 ZXTHDONEDXXVNL-UHFFFAOYSA-N 248.307 2.512 0 40 BFAB CCC(=O)c1cc(F)c(F)cc1OC 306464267 CKTVGNDJNPKZPJ-UHFFFAOYSA-N 200.184 2.566 0 40 BFAB CCC(C)(C)CN[C@@H]1CSC1(C)C 379371296 SOVKCCWMDOIFGD-SECBINFHSA-N 201.379 2.906 0 40 BFAB Oc1ncc(-c2csc(C(F)F)c2)cn1 575628826 BDIHFFWQWXYNJB-UHFFFAOYSA-N 228.223 2.848 0 40 BFAB O=C1N[C@H](c2ccccc2)Oc2ccccc21 267437 AMZRLVJMBHMIPA-AWEZNQCLSA-N 225.247 2.508 0 40 BFAB CC(=O)N(C)C[C@@H]1[C@@H](C)CC(C)=C[C@H]1C 312695 COCCDELCQAVHHZ-MDZLAQPJSA-N 209.333 2.703 0 40 BFAB C[C@@H]1CCCC[C@@H]1NC(=O)c1ccccc1 971904 BDVZXZBKLDUQNY-YPMHNXCESA-N 217.312 2.995 0 40 BFAB C[C@]1(O)C[C@@](O)(c2ccccc2)c2ccccc21 1708744 XVIODFWVBLLPJY-JKSUJKDBSA-N 240.302 2.534 0 40 BFAB COc1ccccc1OC(=O)c1ccccc1O 1726623 APMWEQQELZTXTL-UHFFFAOYSA-N 244.246 2.620 0 40 BFAB CCn1cc(CNCCc2ccccc2)c(C)n1 2536453 WTDNDMPCQSXGMC-UHFFFAOYSA-N 243.354 2.544 0 40 BFAB Cc1cc(C(=O)Nc2ccccc2)nc(Cl)n1 2557674 IYSNJNBDNRELDZ-UHFFFAOYSA-N 247.685 2.691 0 40 BFAB O=C(O)Cc1ccc(C(F)(F)F)c(F)c1F 2560164 FIEZAAANOPOSLH-UHFFFAOYSA-N 240.127 2.611 0 40 BFAB OCc1cccc(SC(F)(F)F)c1 2560230 WFTYAJMQWUPQRU-UHFFFAOYSA-N 208.204 2.791 0 40 BFAB S=c1[nH]c2ccccc2n1C[C@@H]1CCCO1 8436489 FWVORWZFLLCGQD-VIFPVBQESA-N 234.324 2.878 0 40 BFAB COC(=O)c1ccc(-c2ccccc2)nc1 8700055 DXHZSBAEWGPUKI-UHFFFAOYSA-N 213.236 2.535 0 40 BFAB CCCc1noc(-c2ccc(C)cc2)n1 15658691 SBKXHDAGINIVAN-UHFFFAOYSA-N 202.257 2.998 0 40 BFAB C[C@@H](N)COc1ccc(C(C)(C)C)cc1 23070050 PRTOGSFLXIJYDT-SNVBAGLBSA-N 207.317 2.710 0 40 BFAB in-vitro O=C(CCc1ccco1)NCc1cccs1 25080390 CLLWPKVAIRWKDG-UHFFFAOYSA-N 235.308 2.590 0 40 BFAB CCCC[C@@H]1CN(Cc2ccccc2)CCN1 26898248 XESDITBVSGTNKQ-OAHLLOKOSA-N 232.371 2.651 0 40 BFAB CCCOC(=O)c1ccc(OC(C)C)c(N)c1 30769569 PGMLEZXRVQUVEX-UHFFFAOYSA-N 237.299 2.623 0 40 BFAB O=C(C[C@@H]1C=CCC1)NCCc1cccs1 36392816 PLYSWNLICXCZBH-LLVKDONJSA-N 235.352 2.763 0 40 BFAB CCCNc1cc(C)c(Br)cn1 42783841 LOPMKAGABPPDGM-UHFFFAOYSA-N 229.121 2.974 0 40 BFAB Cc1nc(Cl)cc(-c2ccncc2)n1 44119151 FERCUFFRAPUCKR-UHFFFAOYSA-N 205.648 2.500 0 40 BFAB in-vitro CCC(CC)NCCOc1ccccc1 49773187 RLKXTWIUGRLIJC-UHFFFAOYSA-N 207.317 2.844 0 40 BFAB CNC[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 54588643 KDJYSCGVNIVTDG-ONGXEEELSA-N 227.254 2.611 0 40 BFAB Cc1ccc2oc(=O)c(Br)cc2c1 66054951 HUEWTOGOPPNBHR-UHFFFAOYSA-N 239.068 2.864 0 40 BFAB C[C@@H](CC(=O)Nc1ccccc1)C1CCNCC1 72208258 NXTGPRVGXOWRSD-LBPRGKRZSA-N 246.354 2.651 0 40 BFAB C[C@@H](O)C1(c2ccc(Cl)c(F)c2)CC1 84395537 RFLBEKUXNPFVGO-SSDOTTSWSA-N 214.667 2.892 0 40 BFAB COC(=O)c1cc2sc3c(c2[nH]1)CCC3 85347985 PXMVAYSAFKUALX-UHFFFAOYSA-N 221.281 2.505 0 40 BFAB Cc1cnc(COC(=O)c2ccc(C)s2)o1 95405199 FRBUUOZCYDFYGH-UHFFFAOYSA-N 237.280 2.710 0 40 BFAB CCN(CC)C(=O)c1cccnc1C(F)(F)F 97032074 NUJVHIYGCSDTOC-UHFFFAOYSA-N 246.232 2.582 0 40 BFAB Cc1cc(CN(C)CCc2ccncc2)c(C)o1 97113789 AXBSOFBNIKLWCW-UHFFFAOYSA-N 244.338 2.966 0 40 BFAB CC(C)NCc1ccc(Cc2ccco2)[nH]1 226021045 QGDIOAITBLGLQI-UHFFFAOYSA-N 218.300 2.697 0 40 BFAB CCCCCNCc1ccnn1CC(F)(F)F 256051506 JKMZHSFFALKGBI-UHFFFAOYSA-N 249.280 2.725 0 40 BFAB CC[C@@H](C)n1ccc(NCc2c(C)cnn2C)n1 256051777 KLQXAMLSUHGTDH-LLVKDONJSA-N 247.346 2.508 0 40 BFAB CC(=O)c1c(F)cccc1N1CC[C@](C)(F)C1 390834647 KQCHMNGNVZYJCX-ZDUSSCGKSA-N 239.265 2.967 0 40 BFAB Cc1cccc(O[C@H](C)c2nnc(N)s2)c1C 808219 NPAGTEVEAGUCNO-SECBINFHSA-N 249.339 2.877 0 40 BFAB O=C1Nc2ccccc2[C@H]2CCCC[C@H]12 1579169 IZYIINICADMQJQ-KOLCDFICSA-N 201.269 2.913 0 40 BFAB CCN(CC)CCCOC(=O)c1ccccc1 1758042 AFELPJWTIKEPQP-UHFFFAOYSA-N 235.327 2.575 0 40 BFAB COc1ccccc1C(=O)N1CCCC[C@@H]1C 6253365 UYTKRPSDYHXWAO-NSHDSACASA-N 233.311 2.710 0 40 BFAB CN1c2ccccc2C(=O)N[C@@H]1c1ccsc1 8744611 KDINDEGTUAULHF-LBPRGKRZSA-N 244.319 2.627 0 40 BFAB CCc1ccc(OC[C@@H]2CCCNC2)cc1 14631281 NZFUQLZOJKQCLM-CYBMUJFWSA-N 219.328 2.627 0 40 BFAB C[C@@H](CNCc1cccnc1)c1ccccc1 20137008 NGMWRVIKGUNULO-ZDUSSCGKSA-N 226.323 2.975 0 40 BFAB NCc1cc(-c2cc3ccccc3o2)on1 22699173 QUNOAWOVGFEHKB-UHFFFAOYSA-N 214.224 2.547 0 40 BFAB CCNc1nnc(-c2ccccc2C)s1 34925541 IAFHEOBZSVBCHA-UHFFFAOYSA-N 219.313 2.945 0 40 BFAB CCC1=NN(c2cccc(Cl)c2)C(=O)C1 34937027 WTRGVMLNMOZMIF-UHFFFAOYSA-N 222.675 2.843 0 40 BFAB in-vitro CCC[C@@H](C)N[C@@H](C)c1nnc2ccccn12 36968972 HRNJBSYWRUZFSG-MNOVXSKESA-N 232.331 2.569 0 40 BFAB Cc1cc(C)cc(CNC[C@H]2CCCOC2)c1 38076795 VTPPEJYXTCFIRF-CQSZACIVSA-N 233.355 2.820 0 40 BFAB CC[C@@H](C)n1c(CCCN)nc2ccccc21 40163861 LMMRRMGIFSJQDL-LLVKDONJSA-N 231.343 2.899 0 40 BFAB C[C@H]1CCCC[C@@H]1NC(=O)Nc1nccs1 42738132 NCQOCTSLTFRBEN-IUCAKERBSA-N 239.344 2.843 0 40 BFAB Fc1ccc(S[C@H]2CCCNC2)c(F)c1 43501672 JFLUUGBXSOSSKT-VIFPVBQESA-N 229.295 2.809 0 40 BFAB in-vitro CC[C@H](Oc1ccccc1Cl)C(=O)N(C)C 44901433 RXFKXTNIEFJTKW-JTQLQIEISA-N 241.718 2.586 0 40 BFAB COC1CCN(Cc2cccc(Cl)c2)CC1 53906813 KJNQJWMJWALMAC-UHFFFAOYSA-N 239.746 2.951 0 40 BFAB CNC[C@H]1C[C@@H]1c1ccc(OC(F)(F)F)cc1 54588451 UIVWDSBDSZGDDA-MWLCHTKSSA-N 245.244 2.908 0 40 BFAB O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)C1CC1 55274562 GTRRRNMDQVLUAB-RKDXNWHRSA-N 235.249 2.634 0 40 BFAB COc1ccccc1[C@H](O)COc1ccccc1 55352147 QWKSVVKZTGHKIY-CQSZACIVSA-N 244.290 2.808 0 40 BFAB CCO[C@@H](CNC)c1ccc(CC)cc1 62711627 UIGOXVARJGTYQW-ZDUSSCGKSA-N 207.317 2.546 0 40 BFAB O=C(Nc1ccc2c(c1)NCCC2)c1ccoc1 69052980 QSEQYHDODHMHSP-UHFFFAOYSA-N 242.278 2.890 0 40 BFAB CCCC(=O)NC(C)(C)Cc1ccccc1OC 71847661 GPWSUKVXQYWWJN-UHFFFAOYSA-N 249.354 2.933 0 40 BFAB COc1cc(C)c(C(=O)c2ccccc2)cn1 72222976 YWKKYIBFDANDPC-UHFFFAOYSA-N 227.263 2.630 0 40 BFAB CNc1cccc([C@H]2CCCN2C(C)C)n1 72356976 JXTJELHCFGEXMU-GFCCVEGCSA-N 219.332 2.669 0 40 BFAB CCC[C@@H]1CCN(C(=O)Nc2cccnc2)C1 72932288 OIHFORWJEAJTOZ-LLVKDONJSA-N 233.315 2.736 0 40 BFAB O=C(OCC1CCSCC1)c1ccco1 76094688 ZDUGOGQXTFLPIT-UHFFFAOYSA-N 226.297 2.580 0 40 BFAB CCCCNCC[C@@H]1CCCC[C@@H]1OC 85396085 SCTXUOYWBFRWKD-STQMWFEESA-N 213.365 2.971 0 40 BFAB CCOC(=O)C(=O)Sc1ccc(Cl)cc1 95731095 XQCZRRKBNSFNFO-UHFFFAOYSA-N 244.699 2.522 0 40 BFAB Clc1ccc2c(c1)CC[C@@]21CCNC1 95742312 ZSBPDAQOZOLDDN-LBPRGKRZSA-N 207.704 2.517 0 40 BFAB C[C@@H]1OCC[C@H]1N1CC[C@H](Cc2ccccc2)C1 97032808 NVJDAWQODCUXIW-NUEKZKHPSA-N 245.366 2.728 0 40 BFAB Cc1cnn(Cc2ccc(F)c(F)c2)c1 98013750 YZYYZYOJQPKXEV-UHFFFAOYSA-N 208.211 2.518 0 40 BFAB COC(=O)c1csc(-c2cccc(OC)c2)n1 137159625 LOYMLIKIYQGFAC-UHFFFAOYSA-N 249.291 2.605 0 40 BFAB Cn1nc(OCC2CCC2)c2ccc(C=O)cc21 225773719 SONKJRSDWXJXAH-UHFFFAOYSA-N 244.294 2.565 0 40 BFAB O=C(O)c1c(OC2CC2)cnc2ccc(F)cc12 685937639 VPPVOJOADJEMSG-UHFFFAOYSA-N 247.225 2.613 0 40 BFAB Cc1csc2c(Cl)ncc(C(=O)O)c12 953109801 VODSHGXDTARFOI-UHFFFAOYSA-N 227.672 2.956 0 40 BFAB O=C(O[C@H]1CCc2ccccc2C1)c1ccco1 1697138 WQRZRDQHFOUWDE-ZDUSSCGKSA-N 242.274 2.994 0 40 BFAB Cc1ccc2cccc(CC(=O)O)c2c1 1702423 QUDLOWBMTFLAQM-UHFFFAOYSA-N 200.237 2.775 0 40 BFAB O=C1OCC/C1=C\c1ccccc1Cl 1747666 VABUJXPEOAEPRM-VQHVLOKHSA-N 208.644 2.670 0 40 BFAB COCCNCc1cc2ccccc2s1 4298832 DLSVHICTLXDSJC-UHFFFAOYSA-N 221.325 2.637 0 40 BFAB O=C(O)[C@H](Nc1ccccc1)c1cccc(O)c1 6733601 WJHVYWXAJJKHRK-CYBMUJFWSA-N 243.262 2.630 0 40 BFAB S=c1[nH]c2ccccc2n1C[C@H]1CCCO1 8436490 FWVORWZFLLCGQD-SECBINFHSA-N 234.324 2.878 0 40 BFAB OC12CC3C[C@@H](C1)C(NC1CCCCC1)[C@H](C3)C2 12363220 ZOYWVRYFHBNIDA-KSOIGPSBSA-N 249.398 2.848 0 40 BFAB Cc1ccn2c(F)c(C(F)(F)F)nc2c1 15109474 LFYJDJJZAVEHGC-UHFFFAOYSA-N 218.153 2.801 0 40 BFAB CC1=N[C@@H]2[C@@H](N=C1C)C(C)=NN2c1ccccc1 16607952 MGCQYCXHUMKMKJ-KBPBESRZSA-N 240.310 2.513 0 40 BFAB COc1ccccc1NC(=O)c1ccc(C)n1C 21216714 PNNYPSUNFDUNHF-UHFFFAOYSA-N 244.294 2.594 0 40 BFAB CC[C@H]1COC(=O)N1c1ccc(C(C)=O)cc1 26895352 XMEIBNKYPYGDRA-NSHDSACASA-N 233.267 2.624 0 40 BFAB C/C=C/CCc1cc(O)c2c(c1)O[C@@H](C)[C@H]2CO 31167716 ZBSDHRYEWAUMGA-KJDJKKKBSA-N 248.322 2.758 0 40 BFAB biogenic,in-vitro Oc1cccc(CNCCc2cccc(F)c2)c1 35137872 WZELFEYPRFMHQE-UHFFFAOYSA-N 245.297 2.864 0 40 BFAB C[C@H](O)c1ccccc1N1CCCCC1 35650489 NRDNCDNXOHBIBS-NSHDSACASA-N 205.301 2.730 0 40 BFAB Nc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1 37439119 OHGFHBIPTNBMQE-UHFFFAOYSA-N 227.242 2.951 0 40 BFAB in-vitro C[C@H](Cc1cccs1)NC(=O)C1CCCC1 38565713 ROGAGEIDSAECAI-SNVBAGLBSA-N 237.368 2.986 0 40 BFAB CC[C@@H](O)Cc1c(F)cccc1Cl 49346891 ZIXDCFFMHSBRQS-SSDOTTSWSA-N 202.656 2.793 0 40 BFAB CCN(CCCC(=O)O)c1ccc(C)cc1 49987478 GLYTZLURZZXNHI-UHFFFAOYSA-N 221.300 2.686 0 40 BFAB Nc1ccnc(-c2ccc(C(F)(F)F)cc2)n1 50867260 WSBKQOFMPKHHDB-UHFFFAOYSA-N 239.200 2.745 0 40 BFAB CN(c1ccccc1)c1ccnc(Cl)n1 51849302 PUMAAXYNFYHIAT-UHFFFAOYSA-N 219.675 2.898 0 40 BFAB Cc1c(N)cc(-c2nc3ccccc3o2)cc1N 57351250 XLNOURWXSHYAHX-UHFFFAOYSA-N 239.278 2.968 0 40 BFAB COc1ccc(/C=C/CNCC(C)C)cc1 67799380 GRZQRLCGNAPVIX-SNAWJCMRSA-N 219.328 2.954 0 40 BFAB Cc1ccccc1CN[C@@H](C)[C@H](C)n1cccn1 69372250 VTZHRMQIAUFTNW-KBPBESRZSA-N 243.354 2.931 0 40 BFAB CN1CC=C(c2nc3ccccc3o2)CC1 72193770 ZGNFQHDIESIHSZ-UHFFFAOYSA-N 214.268 2.547 0 40 BFAB CC[C@H](N)[C@H]1CCCCN1C(=O)OC(C)(C)C 72208707 CGUGIQIRIKPHDO-WDEREUQCSA-N 242.363 2.513 0 40 BFAB CCN1CCCC[C@@H]1c1ccc(N(C)C)nc1 72212612 YYJCBNXCGCXOKX-CYBMUJFWSA-N 233.359 2.695 0 40 BFAB CCC(=O)c1ccc(Br)nc1C 72223994 QKDKKBUKVGUPMA-UHFFFAOYSA-N 228.089 2.745 0 40 BFAB Cc1cc(NC(=O)NCc2cccs2)ccn1 74754236 QEUOSLNVGCIVPK-UHFFFAOYSA-N 247.323 2.773 0 40 BFAB NC[C@@H](c1ccc(Cl)cc1)C(F)(F)F 82719072 UQOJNFYTIVUHRB-QMMMGPOBSA-N 223.625 2.945 0 40 BFAB CCOCOc1ccccc1Br 83756117 JLTNYNSUKBKUKH-UHFFFAOYSA-N 231.089 2.822 0 40 BFAB in-vitro COc1ccc(C2(CC(=O)O)CCC2)cc1 84401956 LXQIBSZWAFWJSY-UHFFFAOYSA-N 220.268 2.592 0 40 BFAB C=Cc1ccc(CCN2CCCC2)cc1 90735076 LMAFWBCYAPNOFK-UHFFFAOYSA-N 201.313 2.968 0 40 BFAB Cc1cc2c(cc1Cl)/C(=C/C(=O)O)CO2 94993331 JDJGEUBVLPPCOH-XVNBXDOJSA-N 224.643 2.509 0 40 BFAB c1ccc2c([C@@H]3COCCN3)csc2c1 95692958 AJYLQTJENHZIBP-NSHDSACASA-N 219.309 2.562 0 40 BFAB FC(F)(F)c1cnc(Cl)nc1NC1CC1 95934365 LNCAUPYVIKEPND-UHFFFAOYSA-N 237.612 2.723 0 40 BFAB CCSCc1ccnc(NC(=O)C(C)C)c1 95976918 AZWQEUCPJRBSLW-UHFFFAOYSA-N 238.356 2.929 0 40 BFAB CCCCc1cc(NC(=O)C2CC=CC2)on1 96449778 VNJPOJQYBSTQRO-UHFFFAOYSA-N 234.299 2.922 0 40 BFAB O=C1[C@H]2CC3C[C@H]1CC(Br)(C3)C2 100011615 TXEWIOREYPSNRR-VHSUDJNHSA-N 229.117 2.529 0 40 BFAB CC[C@H](C)NC(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 103479228 UIDQXVYENCEMOQ-PPCPHDFISA-N 238.375 2.909 0 40 BFAB CCOc1ccc(CNc2cn(C)nc2C)cc1 179141963 ITJBZQOKPAIIRR-UHFFFAOYSA-N 245.326 2.739 0 40 BFAB O=C(O)c1ccc2[nH]c(C(F)(F)F)cc2c1 211677999 VJTGCOFSNNRRCK-UHFFFAOYSA-N 229.157 2.885 0 40 BFAB c1cc2ccc3cc4c(nc3c2[nH]1)OCC4 256054873 YDCGFTFJHAPQMC-UHFFFAOYSA-N 210.236 2.651 0 40 BFAB CC(C)(C)C(=O)c1cccc(F)c1C#N 389363686 RPAUZFZZPCJHBE-UHFFFAOYSA-N 205.232 2.926 0 40 BFAB COc1ccccc1CNCc1oc(C)nc1C 394131350 BAKOLXNPJCWLPZ-UHFFFAOYSA-N 246.310 2.590 0 40 BFAB FC(F)c1cc(Cl)nc(C2CC2)n1 409428484 GISCZQOBHDTJEJ-UHFFFAOYSA-N 204.607 2.945 0 40 BFAB COC(=O)C[C@H]1COc2c1ccc1ccccc21 585656336 DHSNIEOMMPTXPO-NSHDSACASA-N 242.274 2.879 0 40 BFAB COc1ccc2cc(N)c(OCC3CC3)nc2c1 685938050 BBXBFPIOVBTPDT-UHFFFAOYSA-N 244.294 2.614 0 40 BFAB O=Cc1c(F)ccc(F)c1OC(F)(F)F 1083810943 ANLGJRRMGAVXQK-UHFFFAOYSA-N 226.100 2.676 0 40 BFAB Fc1cc(Cl)cn2c(C(F)(F)F)nnc12 1848350267 WMCVSHHFODHVAO-UHFFFAOYSA-N 239.559 2.541 0 40 BFAB COc1ccccc1Nc1nnc(S)s1 97343 YSTOHGZAZWZINJ-UHFFFAOYSA-N 239.325 2.579 0 40 BFAB Cc1cc(N)ccc1NC(=O)Cc1ccccc1 569998 NTBLDANBEAWSIR-UHFFFAOYSA-N 240.306 2.758 0 40 BFAB COC(=O)c1cc(C2CC2)nc2ccccc12 1481066 KROTZIHEEUZTRW-UHFFFAOYSA-N 227.263 2.899 0 40 BFAB COc1ccc(-c2cnc3n2CCCC3)cc1 1509205 XSFOQGPGAVPDFH-UHFFFAOYSA-N 228.295 2.895 0 40 BFAB C=CC(=O)OCCN(CCCC)CCCC 1698712 UOZJCRSVUOQDNJ-UHFFFAOYSA-N 227.348 2.618 0 40 BFAB COP(=O)(Cc1cccc(C)c1)OC 2524674 FLXIYHKZQFSPCV-UHFFFAOYSA-N 214.201 2.981 0 40 BFAB Nc1ccccc1C1=Nc2ccccc2C1=O 3844883 CLNZMDQVJMCMOZ-UHFFFAOYSA-N 222.247 2.586 0 40 BFAB biogenic C=CC(=O)N[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C 5024644 YBIUHEWITUKHPU-OUJBWJOFSA-N 207.317 2.503 0 40 BFAB Cc1cccc(C(=O)Nc2cc(C)nc(C)n2)c1 6504272 BXJIDWZPAZWRSG-UHFFFAOYSA-N 241.294 2.654 0 40 BFAB Cc1cc(Nc2ccccc2C(=O)O)nc(C)n1 8702957 BNTHSEZAXVQXIM-UHFFFAOYSA-N 243.266 2.535 0 40 BFAB CCCCCSc1ncc(C=O)cn1 8730886 LDJUIXPTCRUZSB-UHFFFAOYSA-N 210.302 2.571 0 40 BFAB O=C(O)CSc1cccc(Cl)c1 11863385 QMOKVFCLFRLSTN-UHFFFAOYSA-N 202.662 2.517 0 40 BFAB CCCCC(=O)Nc1onc2c1C[C@@H](C)CC2 11917221 GHCZJNGEBOQTSC-VIFPVBQESA-N 236.315 2.928 0 40 BFAB c1ccc(-c2nn3c(nc4ccccc43)[nH]2)cc1 15779197 LVEUZZQSNIHVBU-UHFFFAOYSA-N 234.262 2.878 0 40 BFAB Cc1ccc(-c2cnc(SCC(=O)O)[nH]2)cc1 26420256 VUUZGPHYLJUXNN-UHFFFAOYSA-N 248.307 2.562 0 40 BFAB Cc1cc(=O)c2cnn(C3CCCCC3)c2[nH]1 32714675 HJWXVNCCQZXMQR-UHFFFAOYSA-N 231.299 2.538 0 40 BFAB Cc1ccc2c(c1)NC(=O)c1cc(N)ccc1O2 34936228 CDUPKIWBASICCK-UHFFFAOYSA-N 240.262 2.935 0 40 BFAB CC[C@H](C)NCc1cc(C)ccc1OC 35161696 JDWSQMNXBGRXTJ-NSHDSACASA-N 207.317 2.892 0 40 BFAB O=Cc1cc(Cl)ccc1OCC1CC1 36765380 AYEUHQWRUISSCM-UHFFFAOYSA-N 210.660 2.941 0 40 BFAB in-vitro Nc1cc(Cl)ccc1OCC(F)F 37755388 ZLWVURZYSRYGJW-UHFFFAOYSA-N 207.607 2.566 0 40 BFAB CC(=O)N1CCC(Cc2cccs2)CC1 40621552 SHPFVIGCVIZMLO-UHFFFAOYSA-N 223.341 2.549 0 40 BFAB Cc1ccnc2[nH]cc(Br)c12 44712642 UMVLQFYLNHUDOA-UHFFFAOYSA-N 211.062 2.634 0 40 BFAB in-vitro O=C(O)C[C@H]1CC=C(c2noc(C3CC3)n2)CC1 45795877 UPKFPAPOABGCBD-QMMMGPOBSA-N 248.282 2.605 0 40 BFAB O=C(N[C@@H]1CCc2cc(F)ccc21)C1CCC1 48974587 OTLRTRYFGMDLOZ-CYBMUJFWSA-N 233.286 2.729 0 40 BFAB Cc1ccc(OCCC(=O)O)c(Cl)c1 54348376 MHEOBKMCTUBBIX-UHFFFAOYSA-N 214.648 2.502 0 40 BFAB COc1ccncc1NC(=O)CCC1CCCC1 69413806 MEZQUQHVGOHZOR-UHFFFAOYSA-N 248.326 2.999 0 40 BFAB CC(C)(C)c1cn(Cc2ccccc2F)nn1 72160474 UPJHIUNYWHPWIT-UHFFFAOYSA-N 233.290 2.763 0 40 BFAB Cc1nc2c(C(=O)O)cccc2n1C(C)C 83254273 YJXZANQAPHRPEC-UHFFFAOYSA-N 218.256 2.624 0 40 BFAB CN(C)C(=O)C[C@@H]1CCCc2ccccc21 89310402 NMNCCAMQKYCFCB-LBPRGKRZSA-N 217.312 2.585 0 40 BFAB Cc1cc(NCc2ncc[nH]2)c2ncccc2c1 92850036 HCIJGXJVRAKRPH-UHFFFAOYSA-N 238.294 2.878 0 40 BFAB c1cnc(NCc2csc(C3CCC3)n2)nc1 95093887 YAJQKNDZOZIPQB-UHFFFAOYSA-N 246.339 2.813 0 40 BFAB COCC[C@@H](NCc1cccc(C)n1)C(C)C 95420620 BKDRPLCVSULAOD-CQSZACIVSA-N 236.359 2.541 0 40 BFAB Cc1sc(Nc2ccccc2)nc1C(=O)O 95471971 ILQXPZQNFAEZRD-UHFFFAOYSA-N 234.280 2.893 0 40 BFAB CCS[C@H]1CCCC[C@H]1NCc1ncc[nH]1 96455620 MPBOTMUOOJYSAU-MNOVXSKESA-N 239.388 2.564 0 40 BFAB Cc1cccc(N2CCN[C@H]3CCC[C@@H]32)c1C 225717218 PXWYSOUCLNXSRV-ZFWWWQNUSA-N 230.355 2.634 0 40 BFAB CS[C@@H]1CC[C@H](N(C)C[C@H]2CCCCO2)C1 245289813 FGZKQWBWHRJSSX-YNEHKIRRSA-N 243.416 2.771 0 40 BFAB CC(C)COCCN(C(C)C)C1CCOCC1 252495724 OXUQXXLBISJFPO-UHFFFAOYSA-N 243.391 2.548 0 40 BFAB CC[C@@H](C)C(=O)c1cccc(C(=O)OC)c1 309196285 SXPIVGNRYIJCPA-SECBINFHSA-N 220.268 2.702 0 40 BFAB NC12CC(C(F)(F)c3ccccc3)(C1)C2 575624228 QBCIEKLYSQFLDE-UHFFFAOYSA-N 209.239 2.660 0 40 BFAB O=C(c1ccc2[nH]ccc2c1)N1CC[C@H](CF)C1 711488459 FDMRRPHLIYYFFW-SNVBAGLBSA-N 246.285 2.600 0 40 BFAB CCC(=O)c1cc2c(C)cc(=O)oc2c(C)c1O 36376 YPTSTYVADCNXPE-UHFFFAOYSA-N 246.262 2.708 0 40 BFAB Cc1ccc(C)c(OCC(=O)N2CCCCC2)c1 38568 MFPPLCWMIWBQJT-UHFFFAOYSA-N 247.338 2.695 0 40 BFAB CN(C(=O)c1ccc(N)cc1)c1ccccc1 225995 CRHKLAPXNLGNBS-UHFFFAOYSA-N 226.279 2.545 0 40 BFAB in-vitro CC(=O)N1N=CC[C@@H]1[C@H]1[C@@H](C)CC(C)=C[C@H]1C 501196 HUMGQYPYCXKRLK-ZMJPVWNMSA-N 234.343 2.831 0 40 BFAB c1ccc2c(c1)nc(-n1ccnc1)c1cccn12 1389492 CAVSQVLDSLQVGK-UHFFFAOYSA-N 234.262 2.673 0 40 BFAB O=C1c2ccccc2Cc2ccc(O)cc21 1562272 HNPBOVGHFXPKKU-UHFFFAOYSA-N 210.232 2.527 0 40 BFAB COc1ccc([C@H]2OCC[C@H](C)O2)cc1OC 1677009 MSPASFGBWTVGSN-ZANVPECISA-N 238.283 2.528 0 40 BFAB CC1=C2[C@@H]3OC(=O)[C@H](C)[C@@H]3CC[C@]2(C)C(=O)CC1 3615869 RSDQBPGKMDFRHH-YJKIEOBBSA-N 248.322 2.644 0 40 BFAB biogenic CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 4656417 ZAVMWAWMPKJBLG-JTQLQIEISA-N 217.312 2.763 0 40 BFAB CN(C)C(=O)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 5532873 OIDHBPAONDJGMN-GWCFXTLKSA-N 224.348 2.569 0 40 BFAB CCCCC(=O)Nc1ccc2oc(=O)ccc2c1 6308475 RCAKDOLNXHEZTM-UHFFFAOYSA-N 245.278 2.922 0 40 BFAB S=C(NC1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1C2 6333224 WXJSSYZPESMJNR-HOSYDEDBSA-N 238.400 2.582 0 40 BFAB CCc1ccccc1NC(=O)c1cnc(C)cn1 7724252 QQGYRNDTXPUBSI-UHFFFAOYSA-N 241.294 2.600 0 40 BFAB CC(C)NCc1c(F)cccc1Cl 10435861 SADAXVBAMOIPKG-UHFFFAOYSA-N 201.672 2.977 0 40 BFAB CCOc1ccc(NC(=O)C(C)C)cc1OC 13985520 KVJMIXOOVYWQOU-UHFFFAOYSA-N 237.299 2.688 0 40 BFAB COc1ccc(CNc2ccc(Cl)nn2)cc1 20565886 XTQZRFYMDFJRPT-UHFFFAOYSA-N 249.701 2.751 0 40 BFAB Nc1cccc(OC(F)(F)F)c1Cl 40435323 MQANUESVUANMOY-UHFFFAOYSA-N 211.570 2.821 0 40 BFAB Brc1cnc(C2CCOCC2)s1 44122125 KNDLOOLVPQEUEM-UHFFFAOYSA-N 248.145 2.800 0 40 BFAB C[C@H]1NCc2cc(Br)ccc21 44563640 KTUCROBKAQWWPX-ZCFIWIBFSA-N 212.090 2.613 0 40 BFAB in-vitro CCOc1cccc(NC(=S)NC(C)C)c1 54971800 YIILMDAJGUILPG-UHFFFAOYSA-N 238.356 2.780 0 40 BFAB COC(=O)CNc1cc(Cl)ccc1SC 64399101 XHPINCNVUALJRU-UHFFFAOYSA-N 245.731 2.647 0 40 BFAB CN1CCN(C(=O)C(C)(C)C)Cc2ccccc21 68860607 IMWBXUDHNSMATJ-UHFFFAOYSA-N 246.354 2.511 0 40 BFAB CC(C)c1ccc(C2=NO[C@](C)(C(=O)O)C2)cc1 71981045 JWIJDOGMNYECGT-AWEZNQCLSA-N 247.294 2.778 0 40 BFAB CC(=O)N1CCC[C@H]1c1ccc(OC(C)C)nc1 72211892 CBWNKQHNDVDGHY-ZDUSSCGKSA-N 248.326 2.552 0 40 BFAB CCn1nc(Br)c2ccccc21 72220004 AJPUWQYBIYJJOO-UHFFFAOYSA-N 225.089 2.819 0 40 BFAB Fc1cccc2c([C@H]3CCCNC3)c[nH]c12 82982443 UJJINLAYROBRPX-VIFPVBQESA-N 218.275 2.774 0 40 BFAB Cc1cc(NCc2ccc(F)cc2)no1 83344611 JVAPWGKNTFAMRE-UHFFFAOYSA-N 206.220 2.734 0 40 BFAB CCC1(CNCc2ccc(CO)o2)CCCC1 89948193 SXEPCTHVXUCLFE-UHFFFAOYSA-N 237.343 2.832 0 40 BFAB Cc1cc(Br)cc(OC(F)F)n1 91366005 FVUZISOUEIXVIP-UHFFFAOYSA-N 238.031 2.754 0 40 BFAB in-vitro CC1(C)CCN1C(=O)c1cccc2cc[nH]c12 98016245 HTDUUEHBAGCDJM-UHFFFAOYSA-N 228.295 2.792 0 40 BFAB Cc1cc(F)c(Br)cc1O 98210755 NOJDAPWTVVCMGC-UHFFFAOYSA-N 205.026 2.602 0 40 BFAB CC(C)C1=NN(c2ccccc2F)C(=O)C1 100407043 XIBIDSZZCWHGFC-UHFFFAOYSA-N 220.247 2.574 0 40 BFAB CS[C@@H]1CC[C@@H](N(C)Cc2cccnc2)C1 110641635 MUDLPZGTKQGBCX-CHWSQXEVSA-N 236.384 2.798 0 40 BFAB O=C(c1cc(F)ccc1Cl)C(F)F 164398530 VBKMXXUBKKWOQC-UHFFFAOYSA-N 208.566 2.927 0 40 BFAB CC(C)n1cc(CNCCc2ccccc2)cn1 171839757 DACKEZBXICMLGX-UHFFFAOYSA-N 243.354 2.796 0 40 BFAB Fc1ccccc1N1CCN[C@@H]2CCCC[C@@H]21 225713218 RYHIDRPAONDWLG-OCCSQVGLSA-N 234.318 2.547 0 40 BFAB CCc1cc(N2Cc3ccccc3C2)ncn1 603392629 SGZPAQYXSMEAGR-UHFFFAOYSA-N 225.295 2.559 0 40 BFAB NC1c2ccccc2CCc2ccccc21 1569429 KTADHXXSCNRJRT-UHFFFAOYSA-N 209.292 2.833 0 40 BFAB CC(C)C[C@H](O)C[C@](C)(O)CC(C)C 1697021 AXJSGBKOGGOYCG-NWDGAFQWSA-N 202.338 2.581 0 40 BFAB COc1ccc(NC(=O)OC(C)C)c(OC)c1 1867058 WPQCMRLRNCJNGH-UHFFFAOYSA-N 239.271 2.661 0 40 BFAB CCOC(=O)C(=O)c1ccc2ccccc2c1 2387805 BISFEMJTHWDHRB-UHFFFAOYSA-N 228.247 2.586 0 40 BFAB in-vitro Cc1ccc(NNC(=S)NC(C)C)c(C)c1 3360249 VDGZFJMTULJBEA-UHFFFAOYSA-N 237.372 2.503 0 40 BFAB Cc1c(C(=O)O)cccc1C(=O)c1ccccc1 5532557 YINTZOGUWXBHFA-UHFFFAOYSA-N 240.258 2.924 0 40 BFAB COc1ccc(-c2ccccc2CN)cc1 5703135 CSCQMEWOHGEUPB-UHFFFAOYSA-N 213.280 2.821 0 40 BFAB Cc1cc(NC(=O)Nc2ccccc2)nc(C)n1 6203171 RXDNNHYVDRDPFK-UHFFFAOYSA-N 242.282 2.737 0 40 BFAB c1ccc2c(CCN[C@H]3CCSC3)c[nH]c2c1 6650988 ASJRBSWOOOQRCE-LBPRGKRZSA-N 246.379 2.806 0 40 BFAB Nc1nc(-c2ccc3c(c2)CCCO3)cs1 6681895 MQHCIGCWEBUGQS-UHFFFAOYSA-N 232.308 2.717 0 40 BFAB CC(C)NC(=O)N(C)Cc1ccccc1Cl 12920563 CCEMYEQEWNJBCP-UHFFFAOYSA-N 240.734 2.890 0 40 BFAB COc1cc(C)cc(OC(F)(F)F)c1 16158957 LCNOEWBAXFSPOO-UHFFFAOYSA-N 206.163 2.902 0 40 BFAB CC1=CO[C@](C)([C@@H]2N[C@@H](C)CC(C)(C)N2)CC1 19325714 OCRUJCNPOFTYIS-SCRDCRAPSA-N 238.375 2.535 0 40 BFAB CCN(Cc1ccccc1)c1ccc(N)cn1 19621271 NIBQDAQZJYEFCE-UHFFFAOYSA-N 227.311 2.690 0 40 BFAB Fc1ccc(CNC2CCCC2)c(F)c1 19883323 HFHQBXCRNKOJOB-UHFFFAOYSA-N 211.255 2.997 0 40 BFAB in-vitro COC(=O)c1ccc(-c2ccccc2F)o1 21988877 WCKJUEPCTHGYLX-UHFFFAOYSA-N 220.199 2.872 0 40 BFAB O[C@H]1CCC[C@@H]1N1CCC(c2ccccc2)CC1 28233309 ZCHXQEYBMVFQQT-HOTGVXAUSA-N 245.366 2.779 0 40 BFAB C[C@H]1CCCCN1C(=O)C(C)(C)Br 41709580 LWFOJYYZDZRUEX-QMMMGPOBSA-N 248.164 2.561 0 40 BFAB CC[C@H](C)[C@@H](N)CN(CC(C)C)CC(C)C 42034584 VNSBHYAEYKTNTB-KBPBESRZSA-N 228.424 2.974 0 40 BFAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CCCN 48636426 IURCRBBHWSSJOX-FRRDWIJNSA-N 241.375 2.729 0 40 BFAB C[C@@H]1CCCN(Cc2cccc3c2OCCO3)C1 60100373 CQQAGIFPQYQBCJ-GFCCVEGCSA-N 247.338 2.690 0 40 BFAB C[C@H]1COc2ccc(C(F)(F)F)cc2N1 62526486 WABCIIFXOCZRCM-LURJTMIESA-N 217.190 2.898 0 40 BFAB CCOc1ccc([C@H](CNC)OC(C)C)cc1 62711657 FAKLBYIHDRUDHU-AWEZNQCLSA-N 237.343 2.771 0 40 BFAB Cc1ccc(-c2cc(C3(CN)CC3)no2)cc1 72220680 GNCSSZLZHZDBBM-UHFFFAOYSA-N 228.295 2.640 0 40 BFAB CN(CCSc1nccn1C)c1ccccc1 75110054 DXWWZACPYUDZPM-UHFFFAOYSA-N 247.367 2.649 0 40 BFAB CN1CCCC[C@H]1c1nc2ccccc2[nH]1 75907150 KEACLUWMRTYPNZ-LBPRGKRZSA-N 215.300 2.720 0 40 BFAB O=Cc1nc(-c2ccccc2C(F)(F)F)no1 89262088 QPZMODZSWODRNJ-UHFFFAOYSA-N 242.156 2.568 0 40 BFAB Clc1cc2c(cn1)cnn2[C@@H]1CCCCO1 91302228 OUIMHYFRCMWCEA-NSHDSACASA-N 237.690 2.784 0 40 BFAB CC[C@@H](C)OCc1ccc(C=O)cc1F 95738701 XRPQDILUPCZXRN-SECBINFHSA-N 210.248 2.953 0 40 BFAB CCn1cc(NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)cn1 106056525 MZQZDYOEBFMIPH-SRVKXCTJSA-N 247.342 2.668 0 40 BFAB Cc1nc(Oc2ccccc2F)nc(C)c1N 217513662 PRNDLDDUAHPGFT-UHFFFAOYSA-N 233.246 2.607 0 40 BFAB CC(C)c1nnc(S)n1[C@@H]1C[C@H]2C=C[C@@H]1C2 217927393 ZZHGUJIHNDIKSD-IVZWLZJFSA-N 235.356 2.827 0 40 BFAB CCCOc1ccc2[nH]c(C)c(CN)c2c1 223756568 HSECEEURJRFXES-UHFFFAOYSA-N 218.300 2.724 0 40 BFAB Cc1ccc(C[C@@H](OC(C)C)C(=O)O)c(C)c1 225027115 BSZDOXMJEGYYGF-CYBMUJFWSA-N 236.311 2.724 0 40 BFAB Cc1nc(C(C)C)ncc1C(=O)N1CCCCC1 225791114 UMSLDVLYPBQMEO-UHFFFAOYSA-N 247.342 2.535 0 40 BFAB COC(=O)c1ccnc2ccc(Cl)cc12 230095572 VPJPUYMVYHQTCO-UHFFFAOYSA-N 221.643 2.675 0 40 BFAB CC[C@H](C)n1ccc(NCc2cnn(CC)c2)n1 256052584 NXOXBOVADYOPSN-NSHDSACASA-N 247.346 2.683 0 40 BFAB c1ccc(SCC2CCOCC2)nc1 334178350 CSWIWNIAKFUBNR-UHFFFAOYSA-N 209.314 2.600 0 40 BFAB O=[n+]1c(-c2cccs2)cn(O)c2ccccc21 409415822 RLQDSFWQUYPHNK-UHFFFAOYSA-N 245.283 2.522 0 40 BFAB FC(F)(F)COc1cc(C2CCC2)ncn1 585652416 MVXTUFGGTNLXKL-UHFFFAOYSA-N 232.205 2.685 0 40 BFAB O=C(c1ccccc1)N1CCc2ccccc21 46197 NJZYEXUZNJGGPH-UHFFFAOYSA-N 223.275 2.890 0 40 BFAB C[C@H]1C(=O)O[C@H](c2ccccc2)C(C)(C)C1=O 194872 UMJRKBNYWMJTJT-BXKDBHETSA-N 232.279 2.516 0 40 BFAB c1ccc2c(c1)[nH]c1c3[n+](ccc12)CCCC3 392812 HCMJHHOOBKRWEN-UHFFFAOYSA-O 223.299 2.945 0 40 BFAB O=C(N[C@H]1CCCc2ccccc21)C1CCC1 3560055 QRSYQUNEXRKMQV-AWEZNQCLSA-N 229.323 2.980 0 40 BFAB CC[C@H](C)C(=O)Nc1ccc(C)c(N)c1 8703522 XKBPBJXCMFWOTR-QMMMGPOBSA-N 206.289 2.562 0 40 BFAB CNC(=O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 10052707 LDWSHYSQMNWOKX-UWVGGRQHSA-N 243.228 2.555 0 40 BFAB Cc1ccc([S@](=O)C(F)(F)F)cc1 12461887 WXCPRKMXCMQQCR-CYBMUJFWSA-N 208.204 2.622 0 40 BFAB CC(C)CCNC(=O)c1ccc(N)cc1Cl 19390791 DZLMKYFHFSXJLT-UHFFFAOYSA-N 240.734 2.698 0 40 BFAB Cc1ccc(NC(=O)Nc2ccn(C)n2)c(C)c1 27915614 JSVFNYBXEBVNRA-UHFFFAOYSA-N 244.298 2.681 0 40 BFAB Clc1ccc(COC2CCNCC2)cc1 31839920 WMBLOVPOGCKZTI-UHFFFAOYSA-N 225.719 2.609 0 40 BFAB C[C@H](NC(=O)OC(C)(C)C)C(=O)c1ccccc1 34584406 YXZISSQOFIZLNX-JTQLQIEISA-N 249.310 2.783 0 40 BFAB Cc1cc(C(N)=O)ccc1Oc1ccc(O)cc1 37732778 YYLDPOFSEVSSTB-UHFFFAOYSA-N 243.262 2.592 0 40 BFAB in-vitro COc1ccc(F)cc1[C@H](O)c1ccsc1 40258465 COWBNNDXIZTRSC-GFCCVEGCSA-N 238.283 2.978 0 40 BFAB CC(C)C[C@@H](NC/C=C/c1ccccc1)C(=O)O 41689558 NALTXKUJVSJCET-VIIAAUOXSA-N 247.338 2.789 0 40 BFAB biogenic C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NCC2CC2)o1 43752487 WKDRNSSPNDPGLC-MFKMUULPSA-N 247.338 2.862 0 40 BFAB CCc1ccc(C(=O)N2CCCC[C@H]2C)o1 44913732 ANDJUJOACJLXSD-SNVBAGLBSA-N 221.300 2.857 0 40 BFAB CCNc1cc(C)nc(-c2ccccc2)n1 50848732 NIMKMSDZNXNLCQ-UHFFFAOYSA-N 213.284 2.884 0 40 BFAB CCc1ccc([C@H](O)c2ccccn2)cc1 53296911 XEGUGDANKVDKBN-AWEZNQCLSA-N 213.280 2.726 0 40 BFAB CNC[C@@H]1C[C@@H]1c1cccc(Br)c1 54588625 ROLXHRUBVTTXBY-GXSJLCMTSA-N 240.144 2.772 0 40 BFAB CNC(=O)[C@@H](C)SCc1cccc(Cl)c1 59830828 MRBVHURACBWVOH-MRVPVSSYSA-N 243.759 2.708 0 40 BFAB Cc1cc(C)cc(-c2noc(C)c2C(=O)O)c1 70535701 OUKCUWYZHRKCRC-UHFFFAOYSA-N 231.251 2.965 0 40 BFAB O=C([C@H]1CCCO1)N1CCC[C@@]2(CC=CCC2)C1 71907710 NKBUXDBGEDFFBY-HIFRSBDPSA-N 249.354 2.514 0 40 BFAB Clc1nc(Cl)nc(C2CCCC2)n1 72193531 SYEJHEWCUCEWPC-UHFFFAOYSA-N 218.087 2.836 0 40 BFAB C[C@@H](O)Cc1cccc(F)c1Br 78210669 APWVEMXECIDNLR-ZCFIWIBFSA-N 233.080 2.512 0 40 BFAB in-vitro CC[C@H](c1ccccc1)N(CC(=O)O)C(C)C 79421339 IGMQATMCWIJLGP-CYBMUJFWSA-N 235.327 2.933 0 40 BFAB OC1(CNc2ccccn2)CCCCCC1 79618105 PSBAYTMPLKCDSN-UHFFFAOYSA-N 220.316 2.579 0 40 BFAB CCNC(=O)c1ccc2ccc(Cl)cc2n1 84074746 UOBCWMZDLLOKFJ-UHFFFAOYSA-N 234.686 2.638 0 40 BFAB CC[C@@H](C)[C@@H](C)NC(=O)c1cc(C2CC2)on1 84721579 LRXYMLGLSWNQKI-RKDXNWHRSA-N 236.315 2.716 0 40 BFAB Cc1ccc2c(c1)c1c3n2CCN(N)[C@H]3CCC1 86001048 KAEOXDBIFMYBBG-AWEZNQCLSA-N 241.338 2.516 0 40 BFAB Cc1ccc(Br)c(CN(C)C)c1 90413298 DXTLVYMWJMLDTM-UHFFFAOYSA-N 228.133 2.819 0 40 BFAB NC(=O)c1ccc(-c2ccsc2)cc1 90585487 RLJPHPTXSGNZTK-UHFFFAOYSA-N 203.266 2.514 0 40 BFAB Nc1cc2ccc(C(F)(F)F)cc2cn1 91692354 JNVIPWYNNHHWEQ-UHFFFAOYSA-N 212.174 2.836 0 40 BFAB CCCc1nnc(N2C[C@H]3CCC[C@@H]3C2)s1 95418478 IVBVSDGWEYAZEH-NXEZZACHSA-N 237.372 2.727 0 40 BFAB Cc1cc(CNC[C@H](C)CCO)ccc1Cl 96500135 QHVKRURNBHFKQL-SNVBAGLBSA-N 241.762 2.757 0 40 BFAB OCCCc1cccc(NCc2cncs2)c1 97081290 YWSMNZIANWHJJR-UHFFFAOYSA-N 248.351 2.680 0 40 BFAB OCc1ccc(CN2CCCc3ccccc32)o1 97236362 GWNBOJMFFMUJJE-UHFFFAOYSA-N 243.306 2.725 0 40 BFAB CCN(C(=O)CCCOC)c1ccccc1C 97366916 JLINLCSKEYJIMW-UHFFFAOYSA-N 235.327 2.775 0 40 BFAB CC(=O)c1c(C)cccc1Br 98177995 NVGLKPGDXZAVGJ-UHFFFAOYSA-N 213.074 2.960 0 40 BFAB O=C(O)[C@@H]1C[C@H]1c1ccc(Cl)cc1F 145965479 ZXURYKUVEGERFH-JGVFFNPUSA-N 214.623 2.667 0 40 BFAB C[C@@H](CN1CC[C@H](O)C1)c1cccc(Cl)c1 189681707 IXQQFBZPMSAQAL-GWCFXTLKSA-N 239.746 2.510 0 40 BFAB O=C(O)C1(Cc2ccc(Cl)nc2)CCC1 214615624 OPRZSOGRGWFIPK-UHFFFAOYSA-N 225.675 2.532 0 40 BFAB Cc1cc(N)ccc1NC(=O)/C=C/c1ccco1 227145016 YIMSVMJURZWBNP-FNORWQNLSA-N 242.278 2.822 0 40 BFAB OCCCc1c[nH]c2c(Cl)cc(F)cc12 252485661 HBGITCSDDFCFTJ-UHFFFAOYSA-N 227.666 2.885 0 40 BFAB CC(C)(c1cc(C(=O)O)ccn1)C(F)(F)F 256053956 UILFIWHCIGNIBQ-UHFFFAOYSA-N 233.189 2.620 0 40 BFAB C[C@H]1CCc2[nH]c3ccccc3c(=O)c2C1 128478 LNNMVJASWLOYHW-VIFPVBQESA-N 213.280 2.653 0 40 BFAB CCC(=O)O[C@@H](C)C(Cl)(Cl)Cl 164127 VXRBEUCXWCLGJH-BYPYZUCNSA-N 219.495 2.698 0 40 BFAB O=C(CCC1CCCC1)Nc1cccnc1 222375 FKDTUZRCFIZSDC-UHFFFAOYSA-N 218.300 2.991 0 40 BFAB CCc1ccc(NC(=O)c2snnc2C)cc1 385504 YLUAYOKLZLJQND-UHFFFAOYSA-N 247.323 2.661 0 40 BFAB O=C1NCC(c2ccccc2)(c2ccccc2)O1 1601977 LVWDOTMVYBUIMK-UHFFFAOYSA-N 239.274 2.670 0 40 BFAB CCC[C@H](CCc1ccccc1)C(N)=O 1734097 CXWKQNWPMYMCHL-GFCCVEGCSA-N 205.301 2.521 0 40 BFAB COc1cccc(CNC(=O)c2ccccc2)c1 6236585 GCBQXKXGASPGFY-UHFFFAOYSA-N 241.290 2.625 0 40 BFAB CSCC(=O)N[C@H]1CCCc2ccccc21 7264006 DPNOBFNGSOXGRA-LBPRGKRZSA-N 235.352 2.543 0 40 BFAB O=C1NC(=O)C(=C2CCCCCC2)S1 17028215 NOFNRBSDKVIKFE-UHFFFAOYSA-N 211.286 2.578 0 40 BFAB Nc1nnc(-c2cc3ccccc3o2)s1 19874355 DWSXZOOSYNFWAV-UHFFFAOYSA-N 217.253 2.534 0 40 BFAB in-vitro Fc1ccc(CCNC2CCCC2)cc1 19904020 MZUAKWRKWIAGSG-UHFFFAOYSA-N 207.292 2.900 0 40 BFAB in-vitro NCc1ccccc1N1CCc2ccccc21 20075649 FATZZJYNNQYICP-UHFFFAOYSA-N 224.307 2.840 0 40 BFAB CCC(=O)CC(=O)c1cc(C)ccc1C 20375542 FLRINUUTQVFRTR-UHFFFAOYSA-N 204.269 2.855 0 40 BFAB CCOc1cccc([C@H](C)NC(=O)NC2CC2)c1 20538102 NITZVQIXZPRZSC-JTQLQIEISA-N 248.326 2.608 0 40 BFAB CCCCCNc1ccc(C(=O)O)cc1N 21993996 ZPBUPOQVCZKLBN-UHFFFAOYSA-N 222.288 2.569 0 40 BFAB C[C@@H](NC(C)(C)C)C(=O)c1ccc(F)cc1 22059414 YTBHJXDTSQSFCF-SECBINFHSA-N 223.291 2.785 0 40 BFAB in-vitro Cc1cc(C(=O)N[C@H]2CCCC[C@@H]2C)ccc1N 22217185 KOTMPFBBTGPNJL-HZMBPMFUSA-N 246.354 2.886 0 40 BFAB N[C@@H](COc1ccccc1)c1ccc(F)cc1 23068856 SCHFXNFRXHJCIF-AWEZNQCLSA-N 231.270 2.905 0 40 BFAB CCN(CC)CC(=O)Nc1cc(C)ccc1C 29127479 ARSWLFMBYRUQCI-UHFFFAOYSA-N 234.343 2.584 0 40 BFAB in-vitro CCNC(=O)c1ccc(OC)c2ccccc12 32737984 JIQWVKQYCGQRBF-UHFFFAOYSA-N 229.279 2.598 0 40 BFAB COc1ccc(Cn2c(C)cc(CN)c2C)cc1 34936129 QRQSKQHKZKWLCM-UHFFFAOYSA-N 244.338 2.621 0 40 BFAB C1CCCC(NC2CCOCC2)CCC1 36303916 RSRITCOHVBUGEH-UHFFFAOYSA-N 211.349 2.868 0 40 BFAB Cc1cc(F)ccc1NCc1csnn1 36901954 SCLKQDYSTIQXFR-UHFFFAOYSA-N 223.276 2.598 0 40 BFAB CN[C@@](C)(C(=O)O)c1ccc(Cl)cc1Cl 37180409 UHLLYKHRNOCFFG-SNVBAGLBSA-N 248.109 2.513 0 40 BFAB N[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 37381482 WDWZYVCJRRSQDE-RKDXNWHRSA-N 201.191 2.520 0 40 BFAB COC(=O)c1ccc(CSC(C)C)o1 37625062 XAUIMKGDVBEHPF-UHFFFAOYSA-N 214.286 2.708 0 40 BFAB CCN(CC)C(=O)COc1cc(C)cc(C)c1 41104097 XFJBJPDPJNFTAC-UHFFFAOYSA-N 235.327 2.551 0 40 BFAB CC(C)C[C@H](N)CN(CC(C)C)CC(C)C 42034636 SQDDFBTYQGOZHR-AWEZNQCLSA-N 228.424 2.974 0 40 BFAB C[C@@H]1CCCC[C@@H]1NC(=O)CC(F)(F)F 43070920 WHJAJWGWXYOJFY-SFYZADRCSA-N 223.238 2.634 0 40 BFAB O=C(Nc1nc(C2CC2)cs1)N1CCCC1 43649674 VSPPDGLVKWKNCZ-UHFFFAOYSA-N 237.328 2.648 0 40 BFAB CCOC(=O)CCN[C@@H](C)CCc1ccccc1 44288547 RJZVJMLYUMKPHF-ZDUSSCGKSA-N 249.354 2.551 0 40 BFAB CN(C)C(=O)c1ccc(OC2CCCC2)cc1 47429699 FMYCQLCFNYBIEK-UHFFFAOYSA-N 233.311 2.710 0 40 BFAB Cc1ccc(CNC(=O)c2ccoc2C)s1 48345475 VKGKQPYFEZEWJS-UHFFFAOYSA-N 235.308 2.888 0 40 BFAB CCSc1nnc(-c2sc(C)nc2C)o1 58626943 NPQVHBKHTRCCLB-UHFFFAOYSA-N 241.341 2.922 0 40 BFAB CC1CC(COc2ccc(C(=O)O)cc2)C1 85391450 LHOGLHOTCIGPQN-UHFFFAOYSA-N 220.268 2.810 0 40 BFAB Cc1cc(C(F)(F)F)cc2c1CCNC2 91366445 NBDLNMJDDBMRSL-UHFFFAOYSA-N 215.218 2.660 0 40 BFAB CCCCOCc1cc(F)ccc1C=O 95738711 UPOUZBQIJAMYLU-UHFFFAOYSA-N 210.248 2.955 0 40 BFAB CCCCOc1cc(CO)cc(F)c1F 95739705 WHYCLTLCCIZMNO-UHFFFAOYSA-N 216.227 2.636 0 40 BFAB CC1(C)COC2(C[C@H]3C=CC[C@@H]3C2)OC1 95929135 MFPZHVAUQQEPCD-GHMZBOCLSA-N 208.301 2.742 0 40 BFAB CN(Cc1ccncc1)Cc1ccc(F)c(F)c1 96424611 ICFWQUDXOSYBQS-UHFFFAOYSA-N 248.276 2.992 0 40 BFAB CCO[C@H](C)c1nccn1Cc1ncccc1C 97378364 VOQUQDQMFBJECG-GFCCVEGCSA-N 245.326 2.732 0 40 BFAB N#Cc1cc(Br)c2[nH]ccc2c1 114977139 MLWDUKGEDYJISA-UHFFFAOYSA-N 221.057 2.802 0 40 BFAB CSc1cccc(Br)c1C=O 205877986 SSTYGNHMYAXFLW-UHFFFAOYSA-N 231.114 2.984 0 40 BFAB Nc1c(Br)cccc1C(F)F 215932432 RBJHMQJTIHQQFW-UHFFFAOYSA-N 222.032 2.969 0 40 BFAB CCC(=O)Nc1cc(N2CCCC2)c(C)cc1N 216865747 LHGQPODIZOSKSR-UHFFFAOYSA-N 247.342 2.526 0 40 BFAB CCCCc1ccc(C[C@H](OC)C(=O)O)cc1 225129673 SFIWIONIGAVHMG-ZDUSSCGKSA-N 236.311 2.671 0 40 BFAB COCCNc1ccc2c3c(cccc13)CC2 575423509 OHXKEHIBORGTRQ-UHFFFAOYSA-N 227.307 2.997 0 40 BFAB Cc1[nH]nc(C(F)(F)Br)c1Cl 1565504926 PJYQUKNLFDRMDA-UHFFFAOYSA-N 245.454 2.816 0 40 BFAB CC=C1C[C@@H]2CC[C@H](C1)N2c1nccc(OC)n1 1775995571 WDJCBKQLYHHCDM-TXEJJXNPSA-N 245.326 2.563 0 40 BFAB OCc1ccc(-c2ccc(F)cc2F)o1 142048 OBZFSEAVQIXYJG-UHFFFAOYSA-N 210.179 2.717 0 40 BFAB COc1ccc(/C=C(/Cl)[N+](=O)[O-])cc1 162821 RHJJQBOVUSXYQJ-TWGQIWQCSA-N 213.620 2.509 0 40 BFAB COc1cccc(CNCc2ccco2)c1OC 250785 QAJRSBYGWGCFMP-UHFFFAOYSA-N 247.294 2.587 0 40 BFAB Cc1ccc(-c2nnc3n2CCCS3)cc1 384834 DGQRNHQPXCIBJX-UHFFFAOYSA-N 231.324 2.749 0 40 BFAB CCCCCC[C@@H]1OC[C@H](COCC)O1 1675396 IOLQBDYJUGWJRL-NWDGAFQWSA-N 216.321 2.735 0 40 BFAB COC(=O)[C@H]1[C@H](c2ccccc2)C1(Cl)Cl 1715143 BRJBXJNEVALXNT-DTWKUNHWSA-N 245.105 2.747 0 40 BFAB COc1ccccc1O[C@@H]1CCCCC1=O 1721287 NLVNHTJOSPBAHC-LLVKDONJSA-N 220.268 2.586 0 40 BFAB C[C@@H](COC(=O)c1ccccc1)NC1CCCC1 1997715 YBKXYTIXSKLDBF-LBPRGKRZSA-N 247.338 2.764 0 40 BFAB O=C(O)CCSCc1ccccc1F 2944819 RIJPVJNBTBNSPA-UHFFFAOYSA-N 214.261 2.534 0 40 BFAB COc1cc(Cl)c(C(C)=O)cc1OC 4218217 RUCCUAPEVQWYOP-UHFFFAOYSA-N 214.648 2.560 0 40 BFAB in-vitro C[C@H]1C[P@@](=O)(c2ccccc2)[C@H](C)CC1=O 5003898 QEYLIZRHTPFMRZ-USBNGQNGSA-N 236.251 2.672 0 40 BFAB Cc1ccc(CSc2nsc(N)n2)cc1 8728845 OXEMMEVCUZGELF-UHFFFAOYSA-N 237.353 2.721 0 40 BFAB Cc1cc(O)ccc1NC(=O)C(C)(C)C 11639035 QOXXBMRDGHEEGS-UHFFFAOYSA-N 207.273 2.685 0 40 BFAB COC(=O)c1ccc(-n2c(C)ccc2C)s1 12981313 MOSNVAPCYVBPPH-UHFFFAOYSA-N 235.308 2.942 0 40 BFAB COc1cccc2c3c([nH]c12)[C@H](N)CCC3 20217027 ZBZPBOUQUHOUMF-SNVBAGLBSA-N 216.284 2.513 0 40 BFAB N=C(N)c1cccc(Oc2ccccc2)c1 26580066 CEHNDHNQFURQOE-UHFFFAOYSA-N 212.252 2.763 0 40 BFAB in-vitro CCOc1ccc(OC)cc1C(=O)CC 30769136 IRDYKYZAIAOFEX-UHFFFAOYSA-N 208.257 2.687 0 40 BFAB CCCCCNC(=O)c1cc(C)oc1C 32719798 YKKRJSVBQDHZJW-UHFFFAOYSA-N 209.289 2.816 0 40 BFAB C[C@@H](c1ccccc1Cl)N1CCOCC1 33868090 ZOLWZYIMYQTEKB-JTQLQIEISA-N 225.719 2.733 0 40 BFAB CCOc1ccc(C(=O)c2cccc(N)c2)cc1 34104133 IRPWFLRIVJLGEQ-UHFFFAOYSA-N 241.290 2.899 0 40 BFAB C/C=C/C=C/C(=O)Nc1ccccc1C(C)=O 36393786 OEIWVKNIXFBELY-COBAKMAKSA-N 229.279 2.960 0 40 BFAB O=C(c1ccccc1)N1C[C@H]1c1ccccc1 36405423 TZBCQZDVMUNWPG-LBAUFKAWSA-N 223.275 2.884 0 40 BFAB CC1CCN([C@H](CN)c2ccc(F)cc2)CC1 38827616 IOUBGTKBRCAZCQ-CQSZACIVSA-N 236.334 2.557 0 40 BFAB CCn1ccc(=O)c2cc(C)cc(C)c21 40164116 NBLORWUZUYQNQE-UHFFFAOYSA-N 201.269 2.638 0 40 BFAB O[C@@H]1CCc2ccc(OC(F)(F)F)cc21 42405571 BOTGRKVUUXJWSQ-SECBINFHSA-N 218.174 2.565 0 40 BFAB in-vitro C[C@H]1Oc2c(ccc(Cl)c2Cl)C1=O 43633057 OLJHNKHHGCVVDO-SCSAIBSYSA-N 217.051 2.957 0 40 BFAB in-vitro CCOC(=O)c1cccc(OC(F)(F)F)c1 44200327 GQDRBQIYYNXADN-UHFFFAOYSA-N 234.173 2.762 0 40 BFAB COCCn1c(SCC(C)C)nc(C)c1C 47560557 UAJYLWVPSHDKMN-UHFFFAOYSA-N 242.388 2.894 0 40 BFAB CCCC(=O)c1cc(CCOC)ccc1O 52068516 DMXLNQFOVUKRJQ-UHFFFAOYSA-N 222.284 2.564 0 40 BFAB CC(C)(C)C(=O)c1cc(F)cc(F)c1O 52068573 BZBGSBLIBCMWRG-UHFFFAOYSA-N 214.211 2.899 0 40 BFAB Cc1nc2cc(Br)cc(C)c2[nH]1 62152737 GXRBMCDGVSZJHK-UHFFFAOYSA-N 225.089 2.942 0 40 BFAB C[C@H](NCc1ccsc1)[C@@H](C)n1cccn1 69368689 ZDFDIQXPSLXFRU-WDEREUQCSA-N 235.356 2.684 0 40 BFAB CCCCNc1ncccc1[C@H]1CCCN1 72213581 ZFCUKWQJPRBPDA-GFCCVEGCSA-N 219.332 2.718 0 40 BFAB CNc1ccc([C@@H]2CCCCN2C)c(C)n1 72219114 SFOAVQNHPANUAU-LBPRGKRZSA-N 219.332 2.589 0 40 BFAB CO[C@@H]1CCCC[C@H]1CCNCC(C)C 85396098 GYEVVIUNKGVKDY-QWHCGFSZSA-N 213.365 2.827 0 40 BFAB CC(C)[C@H](N)c1nc2cnccc2n1C(C)C 88865766 ZYDCDYOBXDDARL-LBPRGKRZSA-N 232.331 2.668 0 40 BFAB Cc1[nH]ccc1C(=O)N1C[C@@H]2CCCC[C@H]2C1 89536737 PSQYANVRKGFDHX-RYUDHWBXSA-N 232.327 2.585 0 40 BFAB FC(F)(F)Cc1ccc(Br)cn1 91366355 XDBQGOYOGIWYFG-UHFFFAOYSA-N 240.022 2.949 0 40 BFAB in-vitro c1coc(CN2CCC[C@@H](N3CCCC3)CC2)c1 93563615 UVEUBSGOWNJLCX-CQSZACIVSA-N 248.370 2.730 0 40 BFAB O=c1cc(-c2cc(F)cc(F)c2)nc(C2CC2)[nH]1 96530954 WMHZQXCJBBVRMG-UHFFFAOYSA-N 248.232 2.593 0 40 BFAB Fc1cccc2c1NCC1(CCOCC1)C2 98214115 ILCFKJPNZXVMMA-UHFFFAOYSA-N 221.275 2.591 0 40 BFAB Cc1ccc(-n2nc3c(c2O)CCCC3)cc1 100070179 ZGTCQLDTMGZAAN-UHFFFAOYSA-N 228.295 2.765 0 40 BFAB NCc1ccc([C@H](F)C(F)(F)F)cc1 107281410 LUCAZDUOTZDHGC-QMMMGPOBSA-N 207.170 2.718 0 40 BFAB CC[C@H](NN)c1ccc2cc(OC)ccc2c1 199535816 JTXVHWOOZKGMGQ-AWEZNQCLSA-N 230.311 2.763 0 40 BFAB CCCCCc1ccc([C@@H](C)NN)cc1 199537409 NRSFEAGIMZWAHG-LLVKDONJSA-N 206.333 2.944 0 40 BFAB Cc1ccc(-n2cccc2CN(C)C)cc1 225308535 OUFLTISCJIPPSJ-UHFFFAOYSA-N 214.312 2.847 0 40 BFAB CCOc1ccc(NC(=O)C(F)(F)F)cc1C 225587518 SLRWRUWHYXWRKT-UHFFFAOYSA-N 247.216 2.895 0 40 BFAB C[C@H](N)[C@@H]1C[C@H]1c1c(F)cccc1Cl 242463370 CZKQSLLXAYNKFM-BIIVOSGPSA-N 213.683 2.930 0 40 BFAB Fc1ccc(-c2cncc([C@H]3CCCN3)n2)cc1 616576156 RWVWXSBZSHWLDB-GFCCVEGCSA-N 243.285 2.707 0 40 BFAB CCOc1ccc(-c2ccc(N(C)C)nn2)cc1 1239562071 ZSQZFQHXPMZNRT-UHFFFAOYSA-N 243.310 2.608 0 40 BFAB O=C(OC1CCCCC1)c1cccnc1 345152 DMOCRQCRHPKMRK-UHFFFAOYSA-N 205.257 2.571 0 40 BFAB CCC(=O)N1[C@H](Cc2ccccc2)COC1(C)C 386635 IRYHYHQTUGHKKG-CYBMUJFWSA-N 247.338 2.603 0 40 BFAB CCC(=O)Nc1nc2ccc(F)cc2s1 1263937 KDWHBFKZKIQUST-UHFFFAOYSA-N 224.260 2.784 0 40 BFAB CN(C)c1ccccc1[C@@H]1CCCC[C@H]1O 1715792 KGLBGZFYIVMFEG-GXTWGEPZSA-N 219.328 2.771 0 40 BFAB CCCC[C@@H](CC)C(=O)NCc1ccccn1 2064683 GRVLXKVQWBUDNK-GFCCVEGCSA-N 234.343 2.914 0 40 BFAB COc1ccc(NC(=O)[C@H]2CC=CCC2)cc1 7652321 SPEBUFWPYUKDBU-NSHDSACASA-N 231.295 2.990 0 40 BFAB CCC(CC)NC(=O)c1cccc(F)c1 8327738 IFDXDRZIKSYGDW-UHFFFAOYSA-N 209.264 2.744 0 40 BFAB CSc1cccc(NC(=O)c2cc(C)on2)c1 9452124 DMRGHNVHXWJKDT-UHFFFAOYSA-N 248.307 2.957 0 40 BFAB Cc1ccc(C(=O)N(C)Cc2ccccc2)n1C 32836442 JCDKDNBKDTUNMB-UHFFFAOYSA-N 242.322 2.606 0 40 BFAB Cc1cccc(Cn2cccc2/C=C/C(=O)O)c1 32918817 JFCGKODPHRSAMQ-BQYQJAHWSA-N 241.290 2.943 0 40 BFAB O=C(O)/C=C\c1cccc(Cl)c1F 33373882 OJNDJHBNODEMSG-PLNGDYQASA-N 200.596 2.577 0 40 BFAB CCCCCc1cc(O)c(C(=O)O)c(O)c1 33828752 KVTHCMJOLDRHCA-UHFFFAOYSA-N 224.256 2.529 0 40 BFAB in-vitro CC[C@H](C)Oc1ccc(N)c2cccnc12 37657908 VHHVCYGBEKSWQM-VIFPVBQESA-N 216.284 2.994 0 40 BFAB COc1cc(OC)c2ccccc2c1C=O 39250080 NNQTVZVNHYJOKQ-UHFFFAOYSA-N 216.236 2.670 0 40 BFAB O=C(Nc1cccc2cn[nH]c12)c1ccsc1 39551677 PTXMWJUAJFFIQB-UHFFFAOYSA-N 243.291 2.877 0 40 BFAB COc1ccc(NC(=O)C2CCCC2)cc1F 40542264 QIMWABQEXJNOKR-UHFFFAOYSA-N 237.274 2.963 0 40 BFAB Cc1cccc(Nc2ncnc3[nH]c(C)nc23)c1 41121314 LDEOXHKBGUWGID-UHFFFAOYSA-N 239.282 2.713 0 40 BFAB O=C(Nc1cccc(N2CCCC2)c1)C1CC1 41371611 HYGUTPLTLCMJIZ-UHFFFAOYSA-N 230.311 2.635 0 40 BFAB CNC[C@H]1C[C@H]1c1ccccc1Br 54588799 ASUJGSATSLOOJP-PSASIEDQSA-N 240.144 2.772 0 40 BFAB O=C(/C=C/c1cccc(F)c1)NCC(F)(F)F 58191144 PJDGRTPLEUYTNL-SNAWJCMRSA-N 247.191 2.517 0 40 BFAB CON(C)C(=O)c1cc(Cl)cc(Cl)c1 69536966 RDWTUJWXGUBIQW-UHFFFAOYSA-N 234.082 2.627 0 40 BFAB Cc1cnccc1NC(=O)c1ccc(F)cc1 69741569 UKYNYWPCJONEBV-UHFFFAOYSA-N 230.242 2.781 0 40 BFAB Fc1ccc(Cn2ccnc2)c(Cl)c1 70162500 ZWPSUOUASQUPMU-UHFFFAOYSA-N 210.639 2.724 0 40 BFAB CCC(=O)Nc1ccc(C)c(O[C@H]2CCOC2)c1 95408072 RUOZTUYLUSYWRW-LBPRGKRZSA-N 249.310 2.511 0 40 BFAB Cc1cn2cc(Br)cc(F)c2n1 95835704 UTGAEDZYNAJWRT-UHFFFAOYSA-N 229.052 2.544 0 40 BFAB FC(F)(F)COCCn1cnc2ccccc21 96501034 LGPVOQBJSISFPP-UHFFFAOYSA-N 244.216 2.615 0 40 BFAB Cc1ccc(S[C@@H]2CCN(C)C2=O)c(C)c1 98010241 ISEPUTDLZGEQQO-GFCCVEGCSA-N 235.352 2.626 0 40 BFAB COCCNCc1cccn1-c1ccc(C)cc1 113704000 BFKIIADAEHLAHU-UHFFFAOYSA-N 244.338 2.522 0 40 BFAB NN[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F 199536410 CEUSIXJSTJOGRI-SSDOTTSWSA-N 242.603 2.546 0 40 BFAB CCOC(=O)C(F)(F)SC1CCCC1 217572652 GZGWNXDTDAHYII-UHFFFAOYSA-N 224.272 2.818 0 40 BFAB CCCNCc1c(C)n(C)c2ccc(O)cc12 223765233 POIDYGWNCZGZHS-UHFFFAOYSA-N 232.327 2.692 0 40 BFAB O=C(c1conc1-c1ccccc1)N1CCCC1 225871867 SDXDLFNBXDJCNB-UHFFFAOYSA-N 242.278 2.578 0 40 BFAB Fc1ccc(OCC2CC(F)(F)C2)nc1 585654548 RWVNYGQWJSESQI-UHFFFAOYSA-N 217.190 2.645 0 40 BFAB CCc1[nH]c2ccc(F)cc2c(=O)c1CC 685938749 VXEUATSWTFIPLF-UHFFFAOYSA-N 219.259 2.792 0 40 BFAB CC(C)(C)OC(=O)[C@@H]1CCCC[C@H]1F 710673510 KRKYSFHPHGDPAB-RKDXNWHRSA-N 202.269 2.856 0 40 BFAB CC(C)c1cncc(NC2CSC2)c1 897707589 UGBOZCOHIBKJFT-UHFFFAOYSA-N 208.330 2.732 0 40 BFAB CC(=O)Nc1ccccc1C(=O)c1ccccc1 119351 MRXZRJQRQWTKIX-UHFFFAOYSA-N 239.274 2.876 0 40 BFAB biogenic CC(=O)Nc1nc2c(F)cc(F)cc2s1 1505099 DZBBKDKCSBNQFW-UHFFFAOYSA-N 228.223 2.533 0 40 BFAB O=c1c2c(sc3ccccc13)CCC2 1631116 YCIXDJLOGWIVSZ-UHFFFAOYSA-N 202.278 2.750 0 40 BFAB Cc1cccc(C(=O)O[C@@H]2CCCN(C)C2)c1C 3299257 WUNXIZUIFKPRNW-CYBMUJFWSA-N 247.338 2.554 0 40 BFAB Cc1nc2sc3ccccc3n2c1C=O 4384434 QIPHXUDTMCOVMO-UHFFFAOYSA-N 216.265 2.670 0 40 BFAB c1cncc([C@@H]2C[C@H](c3cccnc3)CCN2)c1 4654768 COWQBMIVVHLMNO-DOMZBBRYSA-N 239.322 2.685 0 40 BFAB biogenic,in-vitro NC/C(=C/c1ccccc1O)c1ccccc1 5082879 OEXASDWUWFPIII-UVTDQMKNSA-N 225.291 2.892 0 40 BFAB CCOc1cccc(-n2cccc2C=O)c1 8702372 AJPWVPQEEXQWQL-UHFFFAOYSA-N 215.252 2.689 0 40 BFAB CCC(C)(C)C(=O)Nc1ccccc1N 8703397 KOXSHHCBODQLGP-UHFFFAOYSA-N 206.289 2.644 0 40 BFAB Cc1ccc(N)cc1NC(=O)C(C)(C)C 8703451 LFTBLXHKJRTFKB-UHFFFAOYSA-N 206.289 2.562 0 40 BFAB in-vitro CC(C)C(=O)N1CCc2cc3ccccc3nc21 15841728 RAVRTLPUBNFQJZ-UHFFFAOYSA-N 240.306 2.780 0 40 BFAB CCCNCc1ccc(OCCC)cc1 20084219 NEQYVLTZQFWEOB-UHFFFAOYSA-N 207.317 2.975 0 40 BFAB CCC[C@H](C)Nc1nc(C)c(C(=O)O)s1 20156576 PIQZZCZSDXTTCP-LURJTMIESA-N 228.317 2.750 0 40 BFAB Fc1cc(Br)c2c(c1)CCCN2 20430680 AUNNMCPVCZNEKB-UHFFFAOYSA-N 230.080 2.946 0 40 BFAB C[C@H](NC(=O)c1ccco1)c1cccs1 21358975 MULFSDKNAAIJQY-QMMMGPOBSA-N 221.281 2.832 0 40 BFAB CC(=O)c1sc(-c2ccco2)nc1C 25204432 ZKMULVQCTKFVTO-UHFFFAOYSA-N 207.254 2.914 0 40 BFAB CCNC(=O)[C@@H](C)Sc1ccc(C)cc1 31866816 QWXJXICPNMFSAM-SNVBAGLBSA-N 223.341 2.612 0 40 BFAB c1ccc(CCCSc2ncn[nH]2)cc1 40456851 AAFRRTOXAJIXEA-UHFFFAOYSA-N 219.313 2.530 0 40 BFAB CCC(CC)n1nc(C)c(C(=O)O)c1C 40931566 YDQDPOMRUYGQAE-UHFFFAOYSA-N 210.277 2.559 0 40 BFAB COc1cc2c(C=O)c[nH]c2cc1Cl 44857504 SHXXLOIGTOKQAY-UHFFFAOYSA-N 209.632 2.642 0 40 BFAB Cc1cccc(S[C@@H]2CCCCNC2=O)c1 49372986 UYTJZKKDGRVAII-GFCCVEGCSA-N 235.352 2.756 0 40 BFAB C[C@@H](CN)Cc1cccc(Br)c1 52946727 JJWIJUAFXXAWJD-MRVPVSSYSA-N 228.133 2.586 0 40 BFAB COc1ccc(C(=O)CCSC)cc1OC 69984153 DNGQKEDGVQKJSM-UHFFFAOYSA-N 240.324 2.640 0 40 BFAB CC[C@@H](OC)c1ccc([C@@H](C)CN)cc1 72220214 HYEWOCWDJXWKFM-GXFFZTMASA-N 207.317 2.846 0 40 BFAB c1cnc2ccc(OC[C@H]3CCCNC3)cc2c1 72233442 RCUIXVOBUMKKPG-LBPRGKRZSA-N 242.322 2.613 0 40 BFAB Cn1c(N2CCCCC2)c(C=O)c2ccccc21 72423143 GSPSSUWEEGKHPD-UHFFFAOYSA-N 242.322 2.981 0 40 BFAB Cc1cccc([C@H]2NCCc3sccc32)n1 75172894 MYMCYOHOGNNYBB-ZDUSSCGKSA-N 230.336 2.687 0 40 BFAB O=C(CC1CCCC1)NCCc1ccoc1 90607371 FNSGDULZUCTYDM-UHFFFAOYSA-N 221.300 2.519 0 40 BFAB Fc1ccc(NCc2ccccc2F)cn1 95431155 BRKRNNQRCPIZEX-UHFFFAOYSA-N 220.222 2.972 0 40 BFAB C[C@H]1C[C@@H](OC(=O)c2cocn2)CC[C@H]1C 97163001 IIOSMUAHNLIVFT-UTLUCORTSA-N 223.272 2.656 0 40 BFAB CCC(=O)c1c(Cl)ccnc1Cl 199538680 MVMIWQXRZGNNTC-UHFFFAOYSA-N 204.056 2.981 0 40 BFAB O[C@H](c1nccc2ccccc12)C(F)(F)F 203527785 DOMBYTKFJYPWFG-SNVBAGLBSA-N 227.185 2.831 0 40 BFAB CC(C)N1CCC[C@H](c2cccc3nccn23)C1 205688680 MZNDYJJCASIEQY-ZDUSSCGKSA-N 243.354 2.922 0 40 BFAB Cc1cccc(-c2nnc(-c3cnco3)o2)c1 216602834 SHUMHRIQIXFXHN-UHFFFAOYSA-N 227.223 2.700 0 40 BFAB Cc1cc(Cl)cc(Cl)c1S(=O)(=O)O 226290898 IBFDWXCQWSTICO-UHFFFAOYSA-N 241.095 2.549 0 40 BFAB S=C(NCCCc1ccccc1)N1CCCC1 242834200 FSDPAORHFCZULT-UHFFFAOYSA-N 248.395 2.590 0 40 BFAB CC(C)c1cc(CNCc2cccs2)n(C)n1 256052549 NTWUHTJQFJYWBT-UHFFFAOYSA-N 249.383 2.895 0 40 BFAB CC(C)c1ccc(N(C)[C@H](C)C(=O)O)cc1 260236401 VYKFGRJUMULKMU-SNVBAGLBSA-N 221.300 2.719 0 40 BFAB CCC[C@H](NC)C(=O)c1ccc2c(c1)CCC2 299817367 ZCTUUSNQUQURDL-AWEZNQCLSA-N 231.339 2.746 0 40 BFAB in-vitro CCn1cc(Cl)c(COCC(F)(F)F)n1 408716447 NDXNQWUTWSOUFO-UHFFFAOYSA-N 242.628 2.635 0 40 BFAB Cc1cccc(COC(=O)c2ccccn2)c1 409201547 MIITWAGCTLUNAZ-UHFFFAOYSA-N 227.263 2.747 0 40 BFAB OCc1ccccc1CNc1ccc(F)cc1 54712 OXUUYYCYGDOZCD-UHFFFAOYSA-N 231.270 2.930 0 40 BFAB in-vitro COc1ccc2c3c(cccc13)C(=O)CC2 68718 GIMNHZUOPYYVRA-UHFFFAOYSA-N 212.248 2.977 0 40 BFAB in-vitro O=C(Nc1ccc(F)c(F)c1)C1CCC1 137415 XASPAHIFZGPPJW-UHFFFAOYSA-N 211.211 2.703 0 40 BFAB CN1CCCCc2c1nc1ccccc1c2N 198581 OQXXXDZZPGCHKC-UHFFFAOYSA-N 227.311 2.590 0 40 BFAB biogenic c1cc[n+](Cc2ccnc3ccccc23)cc1 246426 BNXXMWIULZBIOX-UHFFFAOYSA-N 221.283 2.571 0 40 BFAB C[C@@H](SCc1ccccc1)C(=O)NC1CC1 566367 ILEAALLKZCMWCI-SNVBAGLBSA-N 235.352 2.587 0 40 BFAB CNC(=O)c1ccc(-c2ccccc2Cl)o1 7038943 ACPOPTAXYAKJMG-UHFFFAOYSA-N 235.670 2.960 0 40 BFAB O=C(O)CCN1CCC[C@H]1C1CCCCC1 12398699 CTWXGRFRBITCLO-LBPRGKRZSA-N 225.332 2.506 0 40 BFAB CCC[C@@H](C)NC(=O)c1cc(-c2ccco2)[nH]n1 12544663 DFYLSGOXQQUCNT-SECBINFHSA-N 247.298 2.588 0 40 BFAB O=C(/C=C/c1ccncc1)Nc1ccccc1 12939390 NWTBOZPPBLPZSI-VOTSOKGWSA-N 224.263 2.734 0 40 BFAB CCC(=O)Nc1cccc(NC(=O)[C@@H]2C[C@@H]2C)c1 12986013 GKJVJRTYFDTSCO-JOYOIKCWSA-N 246.310 2.630 0 40 BFAB COC[C@@H](C)N[C@H](C)c1ccccc1C 19904862 WJBOLYLDTPHQPR-VXGBXAGGSA-N 207.317 2.681 0 40 BFAB Cc1cccc(NC(=O)Nc2cnn(C)c2C)c1 28579909 NBTIDYCUKBUCMI-UHFFFAOYSA-N 244.298 2.681 0 40 BFAB Clc1cccc(OCc2ccncc2)n1 33358733 JHUKOCPJCBPZCX-UHFFFAOYSA-N 220.659 2.709 0 40 BFAB C[C@H](c1ccccc1Cl)N1CCOCC1 33868091 ZOLWZYIMYQTEKB-SNVBAGLBSA-N 225.719 2.733 0 40 BFAB COc1ccc(C(=O)c2ccsc2)cc1 34333091 KRAFKJLSLUZFSZ-UHFFFAOYSA-N 218.277 2.988 0 40 BFAB FC(F)Oc1cccc(CNC2CC2)c1 34816783 QTNLZLNYXYPRPE-UHFFFAOYSA-N 213.227 2.540 0 40 BFAB COc1ccc(Cl)cc1C[C@@H]1CCCNC1 36164288 SQNGJXGOLIPIRC-JTQLQIEISA-N 239.746 2.891 0 40 BFAB in-vitro C=CC(=O)Nc1cccc(Br)c1 36883033 PAJMSUNTWHMLKC-UHFFFAOYSA-N 226.073 2.574 0 40 BFAB in-vitro CN(C(=O)c1cc(C2CC2)[nH]n1)c1ccccc1 40062823 FUCSXCPBUGLFQD-UHFFFAOYSA-N 241.294 2.564 0 40 BFAB Cc1c(F)cccc1C(=O)C[C@@H](C)CC(=O)O 43214316 OFHJPQDOXOQPBW-MRVPVSSYSA-N 238.258 2.818 0 40 BFAB COC(=O)c1ncc(Cl)cc1C(F)(F)F 47202299 KQMBHBZPMOJNKB-UHFFFAOYSA-N 239.580 2.540 0 40 BFAB O=C1C[C@@H]2CC[C@H](C1)N2C1CCCCCC1 54603208 KKULNNCJFMSIGA-BETUJISGSA-N 221.344 2.905 0 40 BFAB CC(=O)Sc1nc(C)c2cc(C)ccc2n1 59431807 MWOMLWYNUVCULB-UHFFFAOYSA-N 232.308 2.885 0 40 BFAB Cc1ccccc1CN1CCCN2CCC[C@@H]2C1 65585866 WSKPHIXHCONALU-MRXNPFEDSA-N 244.382 2.665 0 40 BFAB Cc1ccc(-c2cc(C(=O)O)sn2)cc1 70451408 QSLBTRHQNYHZKB-UHFFFAOYSA-N 219.265 2.817 0 40 BFAB C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1 70586668 SHAVEQAQWNRALP-PSASIEDQSA-N 240.144 2.915 0 40 BFAB Cc1cc(N)ncc1[C@@H]1CCCN1CC(C)C 72218503 PZENMRJAGLLPEQ-ZDUSSCGKSA-N 233.359 2.765 0 40 BFAB Cc1cc([C@H]2CCCN2C)cnc1N1CCCC1 72218786 KXRRPSPZBMAQFC-CQSZACIVSA-N 245.370 2.757 0 40 BFAB O=CN1CCCC[C@H]1c1cnc2ccccc2c1 72219597 UCCNYCNOBOZMEC-HNNXBMFYSA-N 240.306 2.918 0 40 BFAB Cc1cc(CCO)cnc1NCc1ccccc1 72222344 NGOZFNIURQACQN-UHFFFAOYSA-N 242.322 2.537 0 40 BFAB CC(=O)N[C@@H]1CCCC[C@@H]1Cc1ccccc1 77310018 HHFMDOBWCCQMOI-HUUCEWRRSA-N 231.339 2.924 0 40 BFAB CCN(CC)[C@H](C)C(=O)Nc1ccc(C)cc1C 78574220 HKAHNTJKZOQKPW-CYBMUJFWSA-N 248.370 2.972 0 40 BFAB CC1(C)Cc2cnc(N)nc2-c2ccccc21 82170974 WLEUKVYAHMITGK-UHFFFAOYSA-N 225.295 2.560 0 40 BFAB O=C(O)C1([C@H]2CCCS2)CCCCC1 85399329 QYWFDFCLBRLDCX-SECBINFHSA-N 214.330 2.917 0 40 BFAB CCC[C@@](C)(O)c1cc(OC)ccc1OC 86336440 CXCNEWXPEPUDCG-CYBMUJFWSA-N 224.300 2.711 0 40 BFAB CCOC(=O)CC(=O)c1ccccc1C(C)C 95728865 BNIRJAOCEXMVKY-UHFFFAOYSA-N 234.295 2.946 0 40 BFAB OCCN[C@@H](c1ccc(Cl)cc1)C1CCC1 95984956 QIIOEUHTHDPOGH-CYBMUJFWSA-N 239.746 2.763 0 40 BFAB CS[C@H]1CC[C@@H](N(C)Cc2cccnc2)C1 96441602 MUDLPZGTKQGBCX-OLZOCXBDSA-N 236.384 2.798 0 40 BFAB Cc1ccccc1C(=O)N[C@H](CCO)C(C)(C)C 96495899 JWQXLISFDZFCKX-CYBMUJFWSA-N 249.354 2.522 0 40 BFAB Cc1nnc([C@H](C)Oc2cccc(C)c2F)o1 97054530 LAQDIIVDUHJWOV-QMMMGPOBSA-N 236.246 2.966 0 40 BFAB Cc1cc(/C=C/C(=O)OC(C)(C)C)ccn1 98175437 XTEZWSPKTQOQKH-AATRIKPKSA-N 219.284 2.745 0 40 BFAB CCOC(=O)C1CCC2(CC1)CC2(F)F 215620184 UNXWRRRPQUEKEQ-UHFFFAOYSA-N 218.243 2.765 0 40 BFAB O=c1cc2c(c(C3CCCC3)[nH]1)CCCC2 225739277 HWULHAJFDOCCDF-UHFFFAOYSA-N 217.312 2.911 0 40 BFAB C[C@@H](Oc1ccnc(C2CC2)n1)C(F)(F)F 585652394 MLBPOMJHHCUFQJ-ZCFIWIBFSA-N 232.205 2.684 0 40 BFAB O=c1c2ccncc2ccn1C1CCCC1 883042465 YTSHIYBTTPZWQJ-UHFFFAOYSA-N 214.268 2.512 0 40 BFAB Fc1ccc(CN[C@@H]2CCC[C@H]2F)c(F)c1 1888849994 HGQNTYXSZPBTPL-ZYHUDNBSSA-N 229.245 2.945 0 40 BFAB CC(=O)c1ccc2c(c1)CCC(C)(C)O2 481565 KNRXTFUVMPVXBK-UHFFFAOYSA-N 204.269 2.993 0 40 BFAB C[C@H](O)c1c(-c2ccccc2)nn(C)c1Cl 1392057 SNLHRUDQRHIDBN-QMMMGPOBSA-N 236.702 2.794 0 40 BFAB Nc1cc(-c2cc(Cl)ccc2Cl)[nH]n1 5594797 ZMINMHLNNRABKE-UHFFFAOYSA-N 228.082 2.966 0 40 BFAB Cc1csc(COc2ccc(C(=O)O)cc2)n1 11851347 GMAXVPUNJLXEQY-UHFFFAOYSA-N 249.291 2.729 0 40 BFAB COc1ccc(C2O[C@@H](C)C[C@@H](C)O2)cc1 12403078 FGAWKPCAKYSBJV-HWYHXSKPSA-N 222.284 2.908 0 40 BFAB CC(C)CNC(=O)c1ccc2ncsc2c1 13011908 NQYQBEHOCJDYJT-UHFFFAOYSA-N 234.324 2.682 0 40 BFAB Cc1nc2cc(NC(=O)c3ccoc3)ccc2o1 16261475 ODLMHHCUDGAFPD-UHFFFAOYSA-N 242.234 2.982 0 40 BFAB CCCn1/c(=N/N=O)sc2ccccc21 16974135 JAFGQACPKHTHJJ-KHPPLWFESA-N 221.285 2.695 0 40 BFAB COc1ccc(NCC(C)C)c(OC)c1 19903356 AIRPCVIPEGVBPJ-UHFFFAOYSA-N 209.289 2.772 0 40 BFAB c1cc2c(cc1N1CCCC1)NCCC2 32010098 PPDHCSPPTALYBJ-UHFFFAOYSA-N 202.301 2.645 0 40 BFAB CC(=O)Nc1ccc(NC(=O)CC(C)C)cc1C 32753742 MPGXYVNSHWBWPW-UHFFFAOYSA-N 248.326 2.938 0 40 BFAB CCCCOc1c(OCC)cccc1C(=O)O 36672359 CMCVPWBLMHLEJU-UHFFFAOYSA-N 238.283 2.962 0 40 BFAB CCC(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C 40165604 NVPIZJXQORKXJD-ZDUSSCGKSA-N 245.326 2.786 0 40 BFAB CCCn1ccnc1SC[C@H]1CCCCO1 40473920 HFUJSNJHRNVYJI-LLVKDONJSA-N 240.372 2.954 0 40 BFAB Fc1ccc(SC[C@H]2CCCN2)cc1 43497123 KGWOVBHENOLJKN-SNVBAGLBSA-N 211.305 2.670 0 40 BFAB CC[C@H]1CCC(=O)[C@@H](C(=O)C(C)(C)C)C1 43651541 QVYXQKLUNDWERF-UWVGGRQHSA-N 210.317 2.997 0 40 BFAB Nc1cccc(Cl)c1NC(=O)c1cccnc1 50352332 ZCRXTAJMBGFXRY-UHFFFAOYSA-N 247.685 2.570 0 40 BFAB COc1ncccc1-c1ccc2[nH]ncc2c1 67872649 HZQLANRPROBKLJ-UHFFFAOYSA-N 225.251 2.634 0 40 BFAB c1ccc2c(c1)CCN(c1nccs1)C2 71711325 XREUGISQPSXCBS-UHFFFAOYSA-N 216.309 2.706 0 40 BFAB N=C(N)Cc1ccc(-c2ccccc2)cc1 78107955 XLQQCUYDKYMXTJ-UHFFFAOYSA-N 210.280 2.832 0 40 BFAB Cc1cccc(CC2CN(C(=O)[C@H]3C[C@@H]3C)C2)c1 85459277 GGBNKMZXCMEOPA-WFASDCNBSA-N 243.350 2.652 0 40 BFAB NC[C@@H]1CCCCN1Cc1cccc(Cl)c1 85565234 VRXJFIYVRMSOSG-ZDUSSCGKSA-N 238.762 2.653 0 40 BFAB in-vitro Cc1cc(OCCC(C)C)cc(C(=O)O)c1N 94696140 ZMDKLAWJWBOXER-UHFFFAOYSA-N 237.299 2.700 0 40 BFAB Nc1cccc(Nc2ccc3c(c2)NC(=O)C3)c1 95835645 IEFHMBNACJXCJG-UHFFFAOYSA-N 239.278 2.507 0 40 BFAB NC[C@@H]1CCCCN1C1CC(c2ccccc2)C1 97165800 XNDSJSRANVVEKB-PCKAHOCUSA-N 244.382 2.746 0 40 BFAB C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]2C=C[C@H]1C2 102250396 IBMOGUWIKOQARO-ZDEQEGDKSA-N 219.328 2.600 0 40 BFAB NCC(F)(F)Sc1ccc(Cl)cc1 131750754 XTUJDTXFGKASDP-UHFFFAOYSA-N 223.675 2.984 0 40 BFAB c1ccc(OCCN2C[C@H]3CCC[C@@H]3C2)cc1 153303468 SUVDYCAUPCDFJO-ZIAGYGMSSA-N 231.339 2.797 0 40 BFAB NN[C@@H](c1ccccc1)c1cccc(F)c1F 161801846 BOXUTFLMPATAMW-ZDUSSCGKSA-N 234.249 2.518 0 40 BFAB CCOC(=O)c1oc2ccc(Cl)cc2c1N 62342 VKKDUUXDTANQAJ-UHFFFAOYSA-N 239.658 2.845 0 40 BFAB CCOc1ccccc1C(=O)NCCC(C)C 477599 UNYRYJDVRXPJQX-UHFFFAOYSA-N 235.327 2.861 0 40 BFAB CCOCC(=O)Nc1cccc(Cl)c1C 2069468 DCBUZPYIOKKFHP-UHFFFAOYSA-N 227.691 2.623 0 40 BFAB CCOC(=O)[C@@]1(C)C(C)=Nc2ccccc21 3847663 XCOUQSGAQWXIRD-ZDUSSCGKSA-N 217.268 2.613 0 40 BFAB biogenic Cc1ccc([C@]2(O)C[C@H](C)N(C)C[C@@H]2C)cc1 4142810 CFZMSXAIXMGEAH-YDHLFZDLSA-N 233.355 2.543 0 40 BFAB O=C1CS[C@H](c2ccccc2F)N1C1CC1 4218393 MYVFNDBAEFQSQE-GFCCVEGCSA-N 237.299 2.562 0 40 BFAB CNC(=O)COc1ccc(Cl)c2ccccc12 6642948 LKTDDOZXTVJUBV-UHFFFAOYSA-N 249.697 2.618 0 40 BFAB C[C@@H](NC(=O)/C=C/c1cccc(F)c1)C1CC1 8704087 CMDPYFDXJATNOQ-VHODGJRUSA-N 233.286 2.754 0 40 BFAB O=C1C[C@H](c2ccc(O)cc2)c2sccc2N1 12429139 LOWSSRUEFZLENM-SNVBAGLBSA-N 245.303 2.928 0 40 BFAB CCC[C@H](C)NC(=O)COc1ccc(C)c(C)c1 14397595 HGBGYBOJWNPANV-ZDUSSCGKSA-N 249.354 2.987 0 40 BFAB Clc1ccc(Cl)c(O[C@H]2CCNC2)c1 14632107 OUXHUSFDHKWOIX-QMMMGPOBSA-N 232.110 2.734 0 40 BFAB CCc1ccc([C@H]2SCC(=O)N2C2CC2)cc1 19926917 INJGEAVVYAVAGO-CQSZACIVSA-N 247.363 2.985 0 40 BFAB Fc1ccccc1NCc1cccnc1 19944231 YJXGFPILFSFXBI-UHFFFAOYSA-N 202.232 2.833 0 40 BFAB CC[C@H](C)NC(=O)N[C@@H](C)c1ccccc1 20572994 IHVHLHIGUVSVPV-QWRGUYRKSA-N 220.316 2.845 0 40 BFAB C[C@H](NC(=O)[C@@H]1CC=CCC1)c1ccncc1 27404773 CYVWBWVMEAOWFF-WCQYABFASA-N 230.311 2.615 0 40 BFAB CN(Cc1ccsc1)C(=O)NC1CCCC1 30991390 ZKYOFRZJFQSTSK-UHFFFAOYSA-N 238.356 2.832 0 40 BFAB CCOC(OCC)c1ccc(C(C)=O)cc1 34301269 UHDFWGBBKSDYKJ-UHFFFAOYSA-N 222.284 2.961 0 40 BFAB Cc1ccc(C(=O)COCC(F)(F)F)cc1 36379870 XSLSBQDVDCMZKB-UHFFFAOYSA-N 232.201 2.757 0 40 BFAB in-vitro COCc1cccc(C(=O)N[C@H](C)C(C)C)c1 36391925 OIHDIPVQVUBMCP-LLVKDONJSA-N 235.327 2.607 0 40 BFAB CCOC(=O)/C(Cl)=C/c1ccc(OC)cc1 38861816 YPRUTORVAWZPJL-FLIBITNWSA-N 240.686 2.838 0 40 BFAB CCn1c(SCC(C)C)nnc1C1CC1 40464750 GBVKHPVIKDHBQI-UHFFFAOYSA-N 225.361 2.924 0 40 BFAB Nc1ccc(-c2cc(F)cc(F)c2)nc1 41214477 KQFUWKXEEDTCGJ-UHFFFAOYSA-N 206.195 2.609 0 40 BFAB COc1ccc2c(C(=O)O)cc(C3CC3)nc2c1 41655095 YIOXRGIHBWWUOP-UHFFFAOYSA-N 243.262 2.819 0 40 BFAB Cc1cc(Cl)ccc1C(=O)CCC(=O)O 43214211 NSDRHDOONJOREQ-UHFFFAOYSA-N 226.659 2.696 0 40 BFAB CC[C@H](C)C(=O)N[C@H]1CCOc2ccccc21 57547488 VRZFSVSRERGWKE-JQWIXIFHSA-N 233.311 2.673 0 40 BFAB CCCc1noc(CN(CC)[C@@H](C)C(C)C)n1 67661068 WAWGCFRSVXXZQW-NSHDSACASA-N 239.363 2.889 0 40 BFAB Nc1ccc2cc(Br)ccc2c1N 71973305 XTONHEFSOWWNHK-UHFFFAOYSA-N 237.100 2.767 0 40 BFAB Nc1noc(-c2cc(Cl)cc(Cl)c2)n1 82539223 GUFWSKDRPKCDQH-UHFFFAOYSA-N 230.054 2.626 0 40 BFAB c1ccc(N[C@H]2CCOC3(CCCC3)C2)nc1 95425688 RTNRWYITFPQPCJ-LBPRGKRZSA-N 232.327 2.985 0 40 BFAB C[C@H](O)c1cccc(OC(F)(F)C(F)F)c1 95637131 PKVQZZJIKKEBFO-LURJTMIESA-N 238.180 2.977 0 40 BFAB CCCCn1ncc(NCc2cccnc2)c1C 95984310 GLYRUIMDPMUXGR-UHFFFAOYSA-N 244.342 2.999 0 40 BFAB CCS(=O)(=O)c1cc[nH]c1-c1ccc(C)cc1 96532710 BVBWFIIYHWFYKG-UHFFFAOYSA-N 249.335 2.784 0 40 BFAB C[C@H]1C[C@H](C)CN(C(=O)c2cc(C3CC3)on2)C1 96997479 XHCUPMSIAIMJBC-UWVGGRQHSA-N 248.326 2.670 0 40 BFAB C(=C/c1nc([C@@H]2CCOC2)no1)\c1ccccc1 98019205 YJMHLHZCCOGPPI-NNNHXZLVSA-N 242.278 2.744 0 40 BFAB O=C1[C@@H]2CC[C@@H]1c1c(F)c(F)c(F)c(F)c12 101049861 PRQHCVAXAMLDMF-QWWZWVQMSA-N 230.160 2.787 0 40 BFAB CCC(C)(C)NC(=O)c1ccc(OC)c(F)c1 127013779 GZBQEWBCZVGWPM-UHFFFAOYSA-N 239.290 2.753 0 40 BFAB Cc1cnc([C@H]2CCCN2C2CCCC2)[nH]1 205687303 FRBSPAANGMERPJ-GFCCVEGCSA-N 219.332 2.798 0 40 BFAB Cc1ccc(N[C@H]2CCC[C@@H]2N)c(C)c1 218878127 CHNCPNWMSQSIDT-AAEUAGOBSA-N 204.317 2.595 0 40 BFAB CCOC(=O)c1cccc(NC(=O)C2CC2)c1C 225383249 XLAAOYYOWJDBQL-UHFFFAOYSA-N 247.294 2.520 0 40 BFAB Brc1cccc(CN2CCC2)c1 258032428 GJGMUQIRPSZSBW-UHFFFAOYSA-N 226.117 2.655 0 40 BFAB Cc1cc(C)n(Cc2sc(C)nc2C)n1 266206783 MTROYSCLCRACRW-UHFFFAOYSA-N 221.329 2.622 0 40 BFAB O=C(C1CCC1)N1CC[C@H](c2cccs2)C1 1565519923 UNQBQEYVNQZBDH-NSHDSACASA-N 235.352 2.864 0 40 BFAB Cc1ncn(-c2cc(Cl)ccc2Cl)n1 2362803560 KXTBXDKYISNOKL-UHFFFAOYSA-N 228.082 2.883 0 40 BFAB Cc1ccc(NC(=O)c2c(C)noc2C)cc1 251933 LTTXLODSULZMKH-UHFFFAOYSA-N 230.267 2.852 0 40 BFAB COc1ccc(NC(=S)c2ccccn2)cc1 405526 NXGCPYBRGINPQF-UHFFFAOYSA-N 244.319 2.878 0 40 BFAB CCc1cccc(NC(=O)c2ccccn2)c1 3455882 MUTTXTOUYVCDCX-UHFFFAOYSA-N 226.279 2.896 0 40 BFAB OCCSc1ccc(Br)cc1 3634440 UWGLQIQQBTXBCJ-UHFFFAOYSA-N 233.130 2.534 0 40 BFAB in-vitro COC(=O)/C(=C\c1ccco1)c1ccccc1 4471601 JJJQIAJTTBHMEW-RAXLEYEMSA-N 228.247 2.993 0 40 BFAB CC(C)n1c2ccccc2n2c(=S)[nH]nc12 6146400 SMKYQYCPJWLQHY-UHFFFAOYSA-N 232.312 2.927 0 40 BFAB C[C@@H](NC(=O)NC1CC1)c1ccccc1Cl 12894653 GINYPXYHLSXPBZ-MRVPVSSYSA-N 238.718 2.863 0 40 BFAB Cc1ccc(F)c(NC(=O)[C@@H]2C[C@H]2C)c1 13019551 RUOMZFDQAPMCHO-RKDXNWHRSA-N 207.248 2.729 0 40 BFAB CCCNC(=S)N1CCCc2ccccc21 13839250 PPICTWIFRAXMTL-UHFFFAOYSA-N 234.368 2.724 0 40 BFAB Cc1ccc([C@@H](C)NC(=S)NC2CC2)c(C)c1 16973589 VIBCSQPCAVUSMQ-LLVKDONJSA-N 248.395 2.991 0 40 BFAB CC[C@@H](C)C(=O)Nc1ccc(C(=O)OC)s1 26111481 SCIRCJLNTCZGDU-SSDOTTSWSA-N 241.312 2.519 0 40 BFAB c1ccc(CNC2Cc3ccccc3C2)cc1 31938298 CUBMNQRGAYKFKH-UHFFFAOYSA-N 223.319 2.944 0 40 BFAB C[C@H](C[C@H]1N[C@H](C(=O)O)CS1)CC(C)(C)C 35572328 VZWJVYMROVOSTA-UTLUCORTSA-N 245.388 2.565 0 40 BFAB CCOc1ccc(C(C)=O)c(F)c1F 38529914 YHGFVKNXGQWJMM-UHFFFAOYSA-N 200.184 2.566 0 40 BFAB CC(=O)N[C@@H]1CC(C)(C)Cc2oc(C)cc21 44686236 YUVNCBVOTWCVFT-LLVKDONJSA-N 221.300 2.738 0 40 BFAB CC/C=C(\C)C(=O)NCCc1ccccc1OC 46042035 JCPLYXGONITWCD-KPKJPENVSA-N 247.338 2.710 0 40 BFAB CCc1n[nH]c([C@@H](CC)c2ccccc2)n1 48630647 COVKBYKOIRUDHK-NSHDSACASA-N 215.300 2.909 0 40 BFAB CC(C)NC[C@H]1CCN(Cc2ccccc2)C1 53012112 ATVZOUGWKFEKFL-OAHLLOKOSA-N 232.371 2.507 0 40 BFAB CC1CCC(CNC(=O)[C@H]2C[C@H]2C)CC1 55488729 SBONKHRQYTZJEG-RSJDFQLWSA-N 209.333 2.585 0 40 BFAB CNCC1(C)CCN(Cc2ccccc2)CC1 57218723 PNRNYQOXAVOQHZ-UHFFFAOYSA-N 232.371 2.508 0 40 BFAB CNCCCNCc1cccc2ccccc12 57362431 UEMRMBZEACOTEH-UHFFFAOYSA-N 228.339 2.539 0 40 BFAB CC(C)=C[C@H]1[C@H](C(=O)Nc2ccn(C)n2)C1(C)C 58424045 AQTPEKSWUJLIOI-CMPLNLGQSA-N 247.342 2.597 0 40 BFAB C[C@H]1C[C@@H](Sc2ccccc2F)C(=O)O1 60891699 BXCWIZOFEGMQNH-OIBJUYFYSA-N 226.272 2.622 0 40 BFAB CC(C)(CN)c1ccc(F)cc1Cl 62152182 MTRMOEZWRFCIAD-UHFFFAOYSA-N 201.672 2.715 0 40 BFAB in-vitro N[C@@H]1C[C@H]1c1ccc(-c2cccc(F)c2)o1 70453028 ZTYMDIDOXDVESF-GHMZBOCLSA-N 217.243 2.900 0 40 BFAB CCOCCC(=O)N[C@@H](C)c1cccc(C)c1C 71908776 MYNHZNMNGXOOFZ-ZDUSSCGKSA-N 249.354 2.907 0 40 BFAB CC[C@@H](O)c1cnc(Br)c(C)c1 72221917 KNCCEOKMPCZTOS-MRVPVSSYSA-N 230.105 2.596 0 40 BFAB COc1cccc(Cc2ccc(C(=O)O)o2)c1 84035334 RRZDAWBMOHUYST-UHFFFAOYSA-N 232.235 2.577 0 40 BFAB Cc1cc2occ(CC(=O)O)c2cc1F 85399392 UQRLHLJIRDXHCC-UHFFFAOYSA-N 208.188 2.507 0 40 BFAB CCc1oc(C(=O)N2CCCCC2)cc1C 89280263 MTSJIEAATJMZNH-UHFFFAOYSA-N 221.300 2.777 0 40 BFAB C[C@H](NC(C)(C)C)[C@@H](C)NC(C)(C)C 95093143 KEPBYALUNVNGRN-AOOOYVTPSA-N 200.370 2.540 0 40 BFAB O=C(O)c1cc(Br)c2occc2c1 95221011 VRGGTOQHOVHAEU-UHFFFAOYSA-N 241.040 2.894 0 40 BFAB CCCCCOc1cc(F)ccc1CCO 95739540 JHYURMRMKGVMHG-UHFFFAOYSA-N 226.291 2.930 0 40 BFAB Cc1noc(NCc2c(F)cccc2Cl)n1 95990341 SDEYSLCOVRCRJH-UHFFFAOYSA-N 241.653 2.783 0 40 BFAB CC(C)Nc1cncc(Br)c1 96515751 WDFUQQIAZCINSW-UHFFFAOYSA-N 215.094 2.664 0 40 BFAB in-vitro CCO[C@@H](C)c1nccn1Cc1ncccc1C 97378363 VOQUQDQMFBJECG-LBPRGKRZSA-N 245.326 2.732 0 40 BFAB Fc1ccc2c(c1)NCC1(CCOCC1)C2 98214116 JGIJGSIAMCYZKP-UHFFFAOYSA-N 221.275 2.591 0 40 BFAB CC(C)[C@@H]1OC(=O)[C@@H]2CC[C@]1(C)OC2(C)C 100365161 VZOMVQNIIPKADB-KWBADKCTSA-N 226.316 2.532 0 40 BFAB CC(C)(O)[C@@H]1CC[C@]2(C)CCC[C@H](O)[C@@H]2C1 104278670 PYDYAPFBFDTVMM-UHXUPSOCSA-N 226.360 2.725 0 40 BFAB COc1cc(F)c(C(=O)C(F)(F)F)cc1F 106158505 BHLVEQDOIUESGI-UHFFFAOYSA-N 240.127 2.718 0 40 BFAB Cc1cc(C)cc(N[C@H]2CCC[C@H]2N)c1 218884354 VZGRKBOUSFKNIP-OLZOCXBDSA-N 204.317 2.595 0 40 BFAB CC[C@H](C(=O)O)N(CC)c1ccc(C)c(C)c1 224984013 OTTIHNHCQJUERB-CYBMUJFWSA-N 235.327 2.993 0 40 BFAB CCCCCNC(=S)Nc1ncccc1C 225379285 RWBBFFDTYCPFSB-UHFFFAOYSA-N 237.372 2.867 0 40 BFAB CCCNC(=O)c1ccc(N[C@@H](C)CC)c(N)c1 225407658 BSEIKJBKJVWUIV-JTQLQIEISA-N 249.358 2.619 0 40 BFAB C1CCC(N2CCN[C@@H]3CCCC[C@@H]32)CC1 225711419 KLNNTSMKRXXOKT-KGLIPLIRSA-N 222.376 2.536 0 40 BFAB CCOC(=O)N1CCc2cccc(C)c21 228957687 LDKFZNIDTOFYRM-UHFFFAOYSA-N 205.257 2.514 0 40 BFAB CC[C@@H](C)n1ccc(NCc2ccnn2CC)n1 256055131 ZIKDEJVRJXAWDV-LLVKDONJSA-N 247.346 2.683 0 40 BFAB CC(C)COCc1nn(CCF)cc1Cl 408715201 FNRBHIAWMODMRQ-UHFFFAOYSA-N 234.702 2.679 0 40 BFAB Cc1ccc(C2=NN(CC(C)(C)C)C(=O)C2)o1 634588308 PALMDHDGMUONSX-UHFFFAOYSA-N 234.299 2.571 0 40 BFAB COc1cc2c(cc1N)-c1ccccc1C2 398919 MJPMKRNPNNIFLZ-UHFFFAOYSA-N 211.264 2.849 0 40 BFAB C[C@H](c1ccccc1)n1c(=O)[nH]c2ccccc21 1424691 BRGWBLVOBBLKET-LLVKDONJSA-N 238.290 2.939 0 40 BFAB COc1ccc(C[C@@H](N)c2ccccc2)cc1 1593417 IETVCJMCHZSPAE-OAHLLOKOSA-N 227.307 2.938 0 40 BFAB Cc1cc(O)c(-c2cc(O)c(C)cc2O)cc1O 1641160 DSVRCBOSZSZMRX-UHFFFAOYSA-N 246.262 2.793 0 40 BFAB in-vitro CCCN(CCC)CCc1ccccn1 1675470 JBONJAVVJDROTQ-UHFFFAOYSA-N 206.333 2.746 0 40 BFAB CSc1ccc(Cl)cc1CC(=O)O 3750861 QJSJXRVOBQVXLX-UHFFFAOYSA-N 216.689 2.689 0 40 BFAB O=C1CCN(Cc2ccccc2)[C@H]2CCC[C@H]12 4343194 DNNHYPIBLFCZEZ-KBPBESRZSA-N 229.323 2.630 0 40 BFAB in-vitro CCOCC[C@@H](SC(=N)N)c1ccccc1 5474595 APOSEMJLSFBHLB-LLVKDONJSA-N 238.356 2.781 0 40 BFAB Cc1ccc(C(=S)N2CCCC2)cc1 6029791 FWPOWOJQUZMIOJ-UHFFFAOYSA-N 205.326 2.766 0 40 BFAB Cc1ccc(O[C@@H](C)C(=O)NCCC(C)C)cc1 8478579 YCNHPEAENVNIDA-ZDUSSCGKSA-N 249.354 2.925 0 40 BFAB S=C1SCCN1C1CCCCC1 8642427 VYNQCPAXIPGUTQ-UHFFFAOYSA-N 201.360 2.653 0 40 BFAB CSc1nc(-c2ccc(Cl)cc2)cn1N 8706577 AZFYTRCLFQHLRK-UHFFFAOYSA-N 239.731 2.639 0 40 BFAB CC(C)(C)c1ccc([C@H](O)CCC(=O)O)cc1 9280474 HRDCKZDIDSYJEJ-GFCCVEGCSA-N 236.311 2.882 0 40 BFAB COc1ccc(NC(=O)c2ccoc2)c(OC)c1 9497484 YFHDUIKXWPOAAO-UHFFFAOYSA-N 247.250 2.549 0 40 BFAB CCc1ccc(CNn2c(C)n[nH]c2=S)cc1 17744322 UIAGNDHDIWXRCH-UHFFFAOYSA-N 248.355 2.555 0 40 BFAB O=C(O)[C@@H](c1ccc(Cl)cc1)C1CC1 19726474 FCBCYACIDMQJTN-SNVBAGLBSA-N 210.660 2.918 0 40 BFAB in-vitro CC(C)Cn1c([C@H](C)N)nc2ccccc21 19734277 PBAFBSWGOGHJFY-JTQLQIEISA-N 217.316 2.712 0 40 BFAB CCCCCC(=O)Nc1ccc(N)cc1F 20157257 LQWNRXKDIBXTRY-UHFFFAOYSA-N 224.279 2.927 0 40 BFAB CC(C)CCNc1ccc2nnc(C(C)C)n2n1 20732711 DAUOQLUVSSFPLS-UHFFFAOYSA-N 247.346 2.706 0 40 BFAB C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCC2CC2)o1 27467275 GZZFZYWRWCYFPS-QYAHAEFKSA-N 245.322 2.942 0 40 BFAB O=C1O[C@H](NCc2ccccc2)c2ccccc21 27662397 SXRNXWZOQUSCJD-AWEZNQCLSA-N 239.274 2.645 0 40 BFAB c1ccc2c(-c3ccnc4nncn34)cccc2c1 32091849 CAZSVCOGDMIMFU-UHFFFAOYSA-N 246.273 2.945 0 40 BFAB Cc1ccc(Nc2nc(C(N)=O)cs2)c(C)c1 35596823 JRFLEWYVNCFFBR-UHFFFAOYSA-N 247.323 2.602 0 40 BFAB CCCCCOc1ccc(F)cc1CO 37235434 GUUPWBLJMUDRRL-UHFFFAOYSA-N 212.264 2.887 0 40 BFAB CN1CCC(NCc2ccc(Cl)s2)CC1 37249998 WWNOAZXVFRMOOP-UHFFFAOYSA-N 244.791 2.585 0 40 BFAB CCN[C@H](C(=O)O)c1cc(Cl)cc(Cl)c1 37425045 DLIDNAYYJTXVSF-VIFPVBQESA-N 248.109 2.729 0 40 BFAB in-vitro NCc1ccc(-c2ccc3c(c2)CCO3)cc1 38072937 DIOMVKKEMHKFPI-UHFFFAOYSA-N 225.291 2.747 0 40 BFAB in-vitro Oc1cccc(-c2ccnc(Cl)n2)c1 38580117 FBHTXOQEDBGING-UHFFFAOYSA-N 206.632 2.503 0 40 BFAB CC(C)CN1CCN(CCc2ccccc2)CC1 40466225 BHVOMZITOSUKKM-UHFFFAOYSA-N 246.398 2.503 0 40 BFAB CCOc1ccc([C@@H](C)O)cc1Cl 41210515 IHZGXHLTUNFICP-SSDOTTSWSA-N 200.665 2.792 0 40 BFAB CC[C@@H](C)c1ccccc1OC1CNC1 42769888 UHSBAZQKWZBWQS-SNVBAGLBSA-N 205.301 2.551 0 40 BFAB C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccccn1 43046645 RUGIGKJIFDGPIU-QWRGUYRKSA-N 233.315 2.782 0 40 BFAB Nc1nc(C(F)(F)F)ccc1-c1cccnc1 47212436 MEMLYBMXHXCSBI-UHFFFAOYSA-N 239.200 2.745 0 40 BFAB CCNC[C@H]1CCCCN1Cc1ccccc1 53650738 CQVVRSPUGIPISN-OAHLLOKOSA-N 232.371 2.651 0 40 BFAB CCCCC(=O)N[C@@H]1C[C@H]1c1cccc(F)c1 67092251 MEKBJIIOPYRKCD-QWHCGFSZSA-N 235.302 2.988 0 40 BFAB NC/C=C/c1ccc(OC(F)(F)F)cc1 69049648 XWEJORFDRRJFOJ-OWOJBTEDSA-N 217.190 2.557 0 40 BFAB Cc1cccn(Cc2cccc(Cl)c2)c1=O 69740625 MATGISZNXOKLFF-UHFFFAOYSA-N 233.698 2.858 0 40 BFAB Cc1ccc(C)c(CS[C@@H]2CCOC2=O)c1 69811820 WHBPWEDRHOTHOU-GFCCVEGCSA-N 236.336 2.852 0 40 BFAB CC(C)C(=O)Nc1cccc(OC(=O)C2CC2)c1 71904031 QMXKETJIDIGSRQ-UHFFFAOYSA-N 247.294 2.597 0 40 BFAB Cc1cccc([C@@H]2CCCN2C(=O)C2CCC2)n1 72357200 JGJIVIFHLPITIM-AWEZNQCLSA-N 244.338 2.854 0 40 BFAB C[C@H]1C[C@@H]1C(=O)N(C1CCCC1)C1CC1 89920373 PLVBODNSYBCJJQ-CABZTGNLSA-N 207.317 2.576 0 40 BFAB CC[C@@H](C)[C@H](C)NCc1nc(CC(C)C)no1 95986399 JNAZGLGHMJYPTK-MNOVXSKESA-N 239.363 2.792 0 40 BFAB FC(F)c1nc2c(Cl)ncnc2n1C1CC1 96511305 YSQOEVMPQSMIOT-UHFFFAOYSA-N 244.632 2.752 0 40 BFAB COCC1CCN(c2ccncc2Cl)CC1 98018573 GJINNMNQLUDLQL-UHFFFAOYSA-N 240.734 2.598 0 40 BFAB Nc1nsc2cc(Br)cc(F)c12 228965631 PWQALIIOGHVQFK-UHFFFAOYSA-N 247.092 2.780 0 40 BFAB CC(C)c1nc2cccnn2c1Br 685937847 WROQTCSZICQNMB-UHFFFAOYSA-N 240.104 2.615 0 40 BFAB O=C(c1cccs1)n1cnc(Cl)c1Cl 160931 CBTFYMPDXLGRHR-UHFFFAOYSA-N 247.106 2.940 0 40 BFAB Cc1ccnc(NC(=O)c2cccc(F)c2)c1 168489 XNNVQNJRPCTGNB-UHFFFAOYSA-N 230.242 2.781 0 40 BFAB Cc1ccc(C2=[N+]([O-])C(C)(C)CC2)cc1 1396699 XMULYVJHJIJZPZ-UHFFFAOYSA-N 203.285 2.867 0 40 BFAB CCOc1cccc(Nc2cc(C)nc(N)n2)c1 1675988 RCZHONKGSATPLQ-UHFFFAOYSA-N 244.298 2.510 0 40 BFAB COc1ccccc1C1OCC(C)(C)CO1 1677489 IZRAZLCXCNPIAJ-UHFFFAOYSA-N 222.284 2.767 0 40 BFAB O=C(O)c1c(C(F)(F)F)cc(F)c(F)c1F 2382081 OLTIALGKEMEUCV-UHFFFAOYSA-N 244.090 2.821 0 40 BFAB CC(=O)n1nc(C)c(Cc2ccccc2)c1C 3848385 TUYABGOCYIYRMC-UHFFFAOYSA-N 228.295 2.751 0 40 BFAB biogenic O=C(C[C@H](O)c1ccccc1)Oc1ccccc1 3852314 JBYRIOSEKUJPBN-AWEZNQCLSA-N 242.274 2.716 0 40 BFAB biogenic CCC(=O)Nc1nnc(-c2cc(C)ccc2C)o1 5169667 NXAMXFZJZDPSLC-UHFFFAOYSA-N 245.282 2.702 0 40 BFAB Cc1cccc(COc2ccccc2C(N)=O)c1 5189954 QAYYOVNTROMZDM-UHFFFAOYSA-N 241.290 2.673 0 40 BFAB CC(=N)Nc1ccc(Br)cc1 5479931 PUCLIECJJRKSEZ-UHFFFAOYSA-N 213.078 2.858 0 40 BFAB O=C(NC(=O)C1CCCCC1)c1ccccc1 6634504 BUQRMDKTZVKRIN-UHFFFAOYSA-N 231.295 2.523 0 40 BFAB O=C(NCc1cccc(Cl)c1)c1ccccn1 8034657 YCQKXHFQFGDCHJ-UHFFFAOYSA-N 246.697 2.665 0 40 BFAB C[C@@H]1CC[C@@H](C)N1c1ccc(C(=O)O)cc1 8703807 TYXOTKZZMKKKBH-NXEZZACHSA-N 219.284 2.762 0 40 BFAB CCN(CC)C(=O)/C=C\c1ccccc1 16890762 GUYVMSJRMMFSQO-KHPPLWFESA-N 203.285 2.568 0 40 BFAB CC1(C)[C@H]2CC[C@@](C)(O)[C@H]3CC[C@](C)(O)[C@H]3[C@@H]21 19800965 DWNPMJOWAWGIMM-NJGDNLJASA-N 238.371 2.581 0 40 BFAB biogenic,in-vitro CC(=O)c1ccccc1-n1nc(C)cc1C 19871217 HKPPYZWBFAQHSH-UHFFFAOYSA-N 214.268 2.692 0 40 BFAB OC1CCC(NCc2ccccc2Cl)CC1 19918446 GZQQYJGHLTXHSH-UHFFFAOYSA-N 239.746 2.733 0 40 BFAB CCCC(=O)Nc1cc(C)c(C)cc1N 20157505 ANCUOMZDLIRGEX-UHFFFAOYSA-N 206.289 2.624 0 40 BFAB Cc1c(N)cccc1-c1nc2cnccc2o1 20158659 OFKZAMHDVTVSHL-UHFFFAOYSA-N 225.251 2.780 0 40 BFAB CN(C(=O)OCC(F)(F)F)c1ccccc1 32628723 UOUSCJBWHWPHHQ-UHFFFAOYSA-N 233.189 2.822 0 40 BFAB CC[C@@H](C)NC(=O)Cc1cc(C)ccc1C 38753040 JVELOEGQSKMUCG-GFCCVEGCSA-N 219.328 2.761 0 40 BFAB CCC[C@H](C)C(=O)NCc1cccs1 40457623 MKJBJKLILCGBAC-VIFPVBQESA-N 211.330 2.801 0 40 BFAB C[C@@H](CO)Oc1cccc2ccccc12 41211041 JBVJVSQWTXVULV-JTQLQIEISA-N 202.253 2.599 0 40 BFAB CC(C)(C)c1n[nH]cc1CNCc1ccco1 48707791 GDFXVBIMXIPMLP-UHFFFAOYSA-N 233.315 2.590 0 40 BFAB CC(C)CC[C@H](C)N[C@@H]1CCCC[C@@H]1O 51769784 DKWSQAFXFIHXSZ-XQQFMLRXSA-N 213.365 2.704 0 40 BFAB C[C@H]1CN(Cc2ccc(Cl)s2)CCO1 54172115 LHYSCNOKLCMHFS-QMMMGPOBSA-N 231.748 2.622 0 40 BFAB CCOC(=O)C[C@H](NC)c1ccccc1Cl 72210272 UQWVEKCCDHWNFL-NSHDSACASA-N 241.718 2.554 0 40 BFAB CCNc1ccc([C@@H]2CCCCN2C)cn1 72213088 HHTOTOANMRVBDZ-LBPRGKRZSA-N 219.332 2.670 0 40 BFAB Cc1cnc(CN(C)OCc2ccccc2)o1 90588192 PNHPTOJQJUJAAQ-UHFFFAOYSA-N 232.283 2.547 0 40 BFAB FC(F)(F)Oc1cncc(Br)c1 91297640 LUHWDZUXNAITEB-UHFFFAOYSA-N 241.994 2.743 0 40 BFAB CC(C)CCn1ccc(N[C@@H]2CCO[C@H]2C)n1 95991635 UAOVYWCJAKFTIN-NWDGAFQWSA-N 237.347 2.519 0 40 BFAB O=Cc1cccc(OC[C@@H]2CC2(F)F)c1 96515597 JIMRLLFZVJMGNI-VIFPVBQESA-N 212.195 2.533 0 40 BFAB Nc1ccccc1-n1ccc2cccnc21 96526571 QTVQKAHDCMECCO-UHFFFAOYSA-N 209.252 2.608 0 40 BFAB O=C(Nc1ncccc1Cl)[C@H]1C[C@H]1C1CC1 97046952 CJKHKRZLNASZQB-IUCAKERBSA-N 236.702 2.720 0 40 BFAB CCOc1ccc([C@@H]2C[C@@H]2[C@H](C)N)cc1 108019043 VPECJODXZJEBMN-BIMULSAOSA-N 205.301 2.536 0 40 BFAB Cc1ccc(CN)n1-c1nc2ccccc2s1 223748108 CPNGELBKQYEGJB-UHFFFAOYSA-N 243.335 2.854 0 40 BFAB FC(F)COCCSCc1ccco1 252493472 NDAJOFWMGYRKIU-UHFFFAOYSA-N 222.256 2.795 0 40 BFAB COc1c(F)cc(F)cc1C(=O)[C@H](C)Cl 382674426 KHQPAUPTIMAQGM-YFKPBYRVSA-N 234.629 2.783 0 40 BFAB Cc1ccc(CC(=S)N2CCOCC2)c(C)c1 409391327 NCMKOMJOMQPRTQ-UHFFFAOYSA-N 249.379 2.506 0 40 BFAB Cc1ccsc1COc1ncc(F)cn1 585650813 FUZSQXNALNAAFH-UHFFFAOYSA-N 224.260 2.565 0 40 BFAB Oc1ccc2c(c1)O[C@H](C(F)(F)F)CC2 1888843088 DUGDTMVYPICSHN-VIFPVBQESA-N 218.174 2.648 0 40 BFAB Cc1cccc(C)c1OCC(=O)NC(C)(C)C 349841 AWMCQKVHESGDKM-UHFFFAOYSA-N 235.327 2.597 0 40 BFAB CCN(CC)C(=O)[C@@H]1C[C@H]1c1ccccc1 492804 FTDZCEDFSJFQCS-QWHCGFSZSA-N 217.312 2.659 0 40 BFAB CC(=O)O[C@@H]1CCCC[C@H]1n1nc(C)cc1C 553889 OIBGRPDKPXNRMM-CHWSQXEVSA-N 236.315 2.547 0 40 BFAB CCC[C@@]1(CC)NC(=S)N(CCC(C)C)N1 1241631 ALHLILIAWJAVHP-LBPRGKRZSA-N 243.420 2.634 0 40 BFAB C1CCC(NCSC2=NCCS2)CC1 1576865 NGGKUTIPMYXMQJ-UHFFFAOYSA-N 230.402 2.702 0 40 BFAB CN(C)CCCSc1nc2ccccc2[nH]1 1675932 REEFNQCXWFOXEL-UHFFFAOYSA-N 235.356 2.607 0 40 BFAB in-vitro Cc1ccc(SCc2nnc(N)s2)cc1 2217038 FKLBLCYIRCCGAK-UHFFFAOYSA-N 237.353 2.721 0 40 BFAB Fc1ccc(OCCNCc2ccco2)cc1 2296281 IRBLIIWXNZGQFV-UHFFFAOYSA-N 235.258 2.587 0 40 BFAB CCCCN1C[C@H](COc2ccccc2)OC1=O 2476477 CUUAATUGSCNRFP-CYBMUJFWSA-N 249.310 2.686 0 40 BFAB O=C(O)c1cc2c(C(F)(F)F)cccc2[nH]1 3748669 MOVKDRSEEJWXRI-UHFFFAOYSA-N 229.157 2.885 0 40 BFAB CCc1ccc(-c2nnc(S)o2)cc1 6006990 LBSHCIIJUBRAJK-UHFFFAOYSA-N 206.270 2.588 0 40 BFAB in-vitro CNC(=S)Nc1ccc(C(C)C)cc1 6239278 QTHKGYUOUGQBPZ-UHFFFAOYSA-N 208.330 2.726 0 40 BFAB CN(CC(=O)Nc1ccccc1)c1ccccc1 7589612 BDTMMJRMVOUTJM-UHFFFAOYSA-N 240.306 2.762 0 40 BFAB O=C(Nc1cccc2cccnc12)C1CC1 9683354 WBUQRRLYHKGCEX-UHFFFAOYSA-N 212.252 2.583 0 40 BFAB CC(C)c1ccc(SCC(=O)O)cc1 11863968 ZNIRMVHGXAGJJF-UHFFFAOYSA-N 210.298 2.987 0 40 BFAB in-vitro O=C(O)/C=C\c1cccc(Br)c1 12358783 YEMUSDCFQUBPAL-PLNGDYQASA-N 227.057 2.547 0 40 BFAB CSCC(=O)Nc1ccc(C)c2ncccc12 12916111 PNFZWMIRLOTXBR-UHFFFAOYSA-N 246.335 2.845 0 40 BFAB CC1CCN(CCCNCc2ccccc2)CC1 20146328 UIZFLYUMKVSKKC-UHFFFAOYSA-N 246.398 2.898 0 40 BFAB CN[C@H](CN1CCCC1)c1ccc(Cl)cc1 22029089 FKLLYUGYCHIPBQ-CYBMUJFWSA-N 238.762 2.696 0 40 BFAB CC1(C)CNC(=O)N[C@@H]1c1ccc(Cl)cc1 27061954 WICIBBDTLKQCBP-SNVBAGLBSA-N 238.718 2.720 0 40 BFAB CCC(CC)C(=O)Nc1nnc(C2CC2)s1 28284526 XELOUZBLBJGRMV-UHFFFAOYSA-N 239.344 2.790 0 40 BFAB CC(C)Oc1ccc(-c2cnc(N)nc2)cc1 32533052 QXBPTLXKQOMSPC-UHFFFAOYSA-N 229.283 2.513 0 40 BFAB CC1CCN(C[C@@H](O)c2ccc(F)cc2)CC1 33466105 BHJUBTPQVJFOSZ-CQSZACIVSA-N 237.318 2.591 0 40 BFAB CC[C@H]1CCCCN1c1ccccc1CN 37082688 MSARTHKMBLJENO-ZDUSSCGKSA-N 218.344 2.914 0 40 BFAB CC(C)NCc1ccccc1OCC(F)F 37755467 DIZDNGOGPRMYJF-UHFFFAOYSA-N 229.270 2.829 0 40 BFAB Fc1cccc(-c2nc(-c3ccccn3)n[nH]2)c1 40164160 KNQJONVYQWSBCX-UHFFFAOYSA-N 240.241 2.673 0 40 BFAB COc1ccc([C@H](O)c2ccc(C)o2)c(OC)c1 40248130 ZVJPNWQCZNPESD-AWEZNQCLSA-N 248.278 2.687 0 40 BFAB FC(F)(F)c1ccccc1OC[C@@H]1CCNC1 42772436 GSIOSQZEYSGRMX-SECBINFHSA-N 245.244 2.694 0 40 BFAB Cc1nc(COc2ccc3c(c2)OCO3)oc1C 48354528 NTYDAWDXJNSBRG-UHFFFAOYSA-N 247.250 2.599 0 40 BFAB O[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)s1 51993569 FYANXEZERPROBK-VHSXEESVSA-N 245.775 2.795 0 40 BFAB C[C@@](CN)(c1ccccc1Cl)N1CCCC1 70453418 DZWWJEXSDSIEBT-CYBMUJFWSA-N 238.762 2.610 0 40 BFAB CC[C@@H](COC)NCc1ccccc1C 70624149 YPSGONBQEQOYIU-ZDUSSCGKSA-N 207.317 2.510 0 40 BFAB CC(C)(C)c1ccc2c(c1)[C@@H](C(=O)O)CN2 71486608 NONJDKPWPSQQQA-JTQLQIEISA-N 219.284 2.578 0 40 BFAB c1cc([C@@H]2CCCN2C2CCCCC2)ncn1 72356841 MUTUTXUZLZVDDD-AWEZNQCLSA-N 231.343 2.946 0 40 BFAB Cc1ccc(-c2ccc(C(=O)O)o2)cc1N 73640291 OUNOJUGCPYMGBG-UHFFFAOYSA-N 217.224 2.535 0 40 BFAB Cc1ncsc1CCSc1ncc[nH]1 78997408 LHDOXPFTQAFUPD-UHFFFAOYSA-N 225.342 2.509 0 40 BFAB COC(=O)Cc1coc2cc(C)c(F)cc12 85399395 HWMIUFMPQNMZAI-UHFFFAOYSA-N 222.215 2.596 0 40 BFAB COc1ccc2cc([C@H]3CNCCO3)ccc2c1 87090031 NHBVJHRXZSPLGY-OAHLLOKOSA-N 243.306 2.509 0 40 BFAB CC1(C)CCCN(C(=O)C2CC=CC2)CC1 89919331 TWOVYFXYKAVREU-UHFFFAOYSA-N 221.344 2.991 0 40 BFAB C[C@H]1CC(=O)c2c(O)c(Cl)cc(F)c21 90225655 YHSCBHAZNLOAQY-BYPYZUCNSA-N 214.623 2.875 0 40 BFAB CCCc1nc2ccc(OCC)cc2[nH]1 95924192 SSCVLICTDCUAGL-UHFFFAOYSA-N 204.273 2.914 0 40 BFAB COCCCCCS[C@H]1CCCOC1 96001700 KROSJQSHADMLAM-NSHDSACASA-N 218.362 2.715 0 40 BFAB CC1(C)OC(C)(C)c2cc(C(=O)O)ccc21 96171764 MTZCKSAWDIYFLR-UHFFFAOYSA-N 220.268 2.885 0 40 BFAB Cc1ccc(CO)c(F)c1C(F)(F)F 98210793 SCNRAPHHGFGRME-UHFFFAOYSA-N 208.154 2.645 0 40 BFAB O=c1[nH]c2c(s1)C=C1[C@H]3CC[C@@H](C3)[C@H]1S2 101262346 QBGACPFAZOJJRC-ATVXKPNKSA-N 237.349 2.724 0 40 BFAB CCCN(C)C(=O)c1ccccc1CC 119498935 LPBPOSMTVNNQAA-UHFFFAOYSA-N 205.301 2.731 0 40 BFAB O=c1ccc(F)cn1CCCc1cccc(F)c1 190747220 AKNFGSKDKIUKAM-UHFFFAOYSA-N 249.260 2.759 0 40 BFAB Cc1sc(Br)c(CO)c1C 218676338 KYYAQJKCTQBTFK-UHFFFAOYSA-N 221.119 2.620 0 40 BFAB CCC(=O)Nc1nnc(SCC(C)C)s1 225509509 UMQLSWIVNCCHKY-UHFFFAOYSA-N 245.373 2.635 0 40 BFAB CC(C)n1cnc2c(Br)cncc21 225741973 UKRDFAZBEDJDPY-UHFFFAOYSA-N 240.104 2.775 0 40 BFAB CCO[C@H]1[C@H]2CC[C@H]1N(Cc1ccsc1)C2 248380533 QIXHTGGDPVNURU-XQQFMLRXSA-N 237.368 2.747 0 40 BFAB CC(C)(C)OC(=O)CC(=O)C1CCCCC1 255189320 PDMYKIIUCQGUMS-UHFFFAOYSA-N 226.316 2.868 0 40 BFAB CCCCOCc1nn(CCF)cc1Cl 408715441 OGVBHLJJLDJDKP-UHFFFAOYSA-N 234.702 2.823 0 40 BFAB Clc1ccc(OCc2ccncc2)nc1 585654733 LAIKQVHHHLWOQA-UHFFFAOYSA-N 220.659 2.709 0 40 BFAB Oc1nc2ccc(F)cc2c(O)c1CC1CC1 685936995 HIBAGAYDEGNMNF-UHFFFAOYSA-N 233.242 2.738 0 40 BFAB O=[N+]([O-])N(Cc1ccccc1)c1ccccc1 348032 PGKLZTCDODUESO-UHFFFAOYSA-N 228.251 2.885 0 40 BFAB COc1cccc(N(CCO)C2CCCCC2)c1 1569207 GDWSYTGTKHSPGA-UHFFFAOYSA-N 249.354 2.827 0 40 BFAB N[C@H](C[C@H](O)c1ccccc1)c1ccccc1 1723149 HQFWJAGMDNUMAK-CABCVRRESA-N 227.307 2.810 0 40 BFAB Cc1ccc(-n2cnc3c(Cl)ncnc32)cc1 1730404 LHJDQEDPBWFXPC-UHFFFAOYSA-N 244.685 2.777 0 40 BFAB CC(C)(C)SCCNC(=O)C(C)(C)C 3170826 DHFZHJQCLQJJAX-UHFFFAOYSA-N 217.378 2.680 0 40 BFAB O=C1O[C@H](c2ccccc2)O[C@@H]1c1ccccc1 3844108 ZETHIMXJYSHLHZ-UKRRQHHQSA-N 240.258 3.000 0 40 BFAB biogenic C1=C[C@H]2C[C@@H]1C[C@H]2CNCc1ccco1 4298676 HLSOEDHCUUNGPI-WOPDTQHZSA-N 203.285 2.581 0 40 BFAB Cc1cc(NC(=O)CC(C)(C)C)ccc1N 8703492 XGTMFXDVAZJHMF-UHFFFAOYSA-N 220.316 2.952 0 40 BFAB Cc1csc(NC(=O)[C@@H]2CC=CCC2)n1 10554425 ZVRMNQKQTAAMLF-SECBINFHSA-N 222.313 2.746 0 40 BFAB Cc1ccc(Cl)c(O[C@H]2CCCNC2)c1 12359895 GRLVAJJXUNOVRA-JTQLQIEISA-N 225.719 2.779 0 40 BFAB in-vitro CCOc1c(Cl)cc(Cl)cc1CO 16970430 KWWVKNLJHCDVGY-UHFFFAOYSA-N 221.083 2.884 0 40 BFAB Cc1nc([C@H]2CCCCN2)cc(C(F)(F)F)n1 19686148 RBOYERHVYMZCET-MRVPVSSYSA-N 245.248 2.618 0 40 BFAB Cc1ccccc1NC(=O)Cc1cccc(N)c1 20186037 OXBXLGMJVFJKPC-UHFFFAOYSA-N 240.306 2.758 0 40 BFAB C[C@@H]1C[C@@H](C)CN(Cc2ccccc2CN)C1 20284057 DFPKKVOOAFAELB-CHWSQXEVSA-N 232.371 2.623 0 40 BFAB CC(C)COc1ccccc1/C=C/C(=O)O 20329002 KKURTRYDLPTKFV-BQYQJAHWSA-N 220.268 2.819 0 40 BFAB O=C(O)c1cnn(Cc2ccccc2)c1C1CC1 21012147 KWKIJDQKAYINSY-UHFFFAOYSA-N 242.278 2.507 0 40 BFAB COC(=O)C(N)(CCC(C)C)CCC(C)C 22114023 QFIKJQVKQBCDGY-UHFFFAOYSA-N 229.364 2.729 0 40 BFAB Cc1[nH]c2c(C(=O)NCC3CC3)cccc2c1C 25675422 ICVZPCCMJRRIKI-UHFFFAOYSA-N 242.322 2.925 0 40 BFAB COCC(=O)c1c(C)ccc2ccccc12 36197224 HDRYXYVAFRBBAJ-UHFFFAOYSA-N 214.264 2.977 0 40 BFAB COc1ccc2cc(C[C@H](C)O)ccc2c1 38654803 NOJXSJQHHXNLHP-JTQLQIEISA-N 216.280 2.772 0 40 BFAB CCCn1nccc1NC(=O)Cc1cccs1 40090630 WKMDKRFVWYGMIU-UHFFFAOYSA-N 249.339 2.536 0 40 BFAB O=C(O)CCCCC(=O)c1cccc(F)c1 43212890 DMONRVQMEUDSSS-UHFFFAOYSA-N 224.231 2.653 0 40 BFAB O=C(Nc1cccc2ncccc12)NC1CC1 43431830 CDJSTCNFRBAWJK-UHFFFAOYSA-N 227.267 2.519 0 40 BFAB CC[C@@H](N)c1ccccc1Br 43560753 XXWZAEMBXBIREN-SECBINFHSA-N 214.106 2.859 0 40 BFAB COC(=O)CCCC(=O)c1ccc(C)cc1C 49826529 ZINMZAOOTMMVLW-UHFFFAOYSA-N 234.295 2.829 0 40 BFAB C[C@@H]1CC(C)(C)NC2=NC(C)(C)CC[C@@H]21 57990125 UIZGCTCJFKGHAI-NXEZZACHSA-N 208.349 2.982 0 40 BFAB C[C@@H]1C[C@H](SCc2ccccc2)C(=O)O1 65576085 OADPXXKPBOQIBJ-KOLCDFICSA-N 222.309 2.624 0 40 BFAB O=C(O)c1conc1-c1c(F)cccc1Cl 71550862 ATWALIOCSNRBDZ-UHFFFAOYSA-N 241.605 2.832 0 40 BFAB Cc1ccc(CCOC(=O)c2cscn2)cc1 71910316 LSEHJNNKHWZYOM-UHFFFAOYSA-N 247.319 2.851 0 40 BFAB CCOc1ccccc1[C@H](N)C(F)(F)F 72194809 YYGQYUJRSHAXPA-VIFPVBQESA-N 219.206 2.647 0 40 BFAB CCCN1CCCC[C@H]1c1cnc(N)c(C)c1 72218459 KMAUKBWMNNOMBJ-ZDUSSCGKSA-N 233.359 2.909 0 40 BFAB O=C1CCCN1Cc1ccc(C(F)(F)F)cc1 72329924 YPPIQSQVRLWFHP-UHFFFAOYSA-N 243.228 2.828 0 40 BFAB COC(=O)c1c(Cl)cc(F)cc1Cl 82046587 OZQKPZQUPFKGIF-UHFFFAOYSA-N 223.030 2.919 0 40 BFAB in-vitro COc1cc(OCc2ccccc2)ccn1 82046603 BMXORLFQIDWJCO-UHFFFAOYSA-N 215.252 2.669 0 40 BFAB COc1ccc(CNc2cc(C)on2)cc1OC 83378384 SAFOQHIMBYNEME-UHFFFAOYSA-N 248.282 2.612 0 40 BFAB CCOc1cccc2ncc(Cl)nc12 95097338 RCJLULMJZDHQCM-UHFFFAOYSA-N 208.648 2.682 0 40 BFAB CC(=O)OCCc1cccc(Cl)c1C 95730005 BCPSKUPWGWIRJO-UHFFFAOYSA-N 212.676 2.754 0 40 BFAB CCn1c(S)nnc1C1(c2ccccc2)CC1 135976535 JJYTYRHJQLKJEO-UHFFFAOYSA-N 245.351 2.667 0 40 BFAB O=C(O)/C=C/C=C/CCCCCCCC(=O)O 165388732 SGRLVTREURDUFS-ONNLMXTPSA-N 240.299 2.999 0 40 BFAB biogenic,in-vitro Cc1ccccc1[S@](=O)CCCOC(C)C 195579588 KHXIXLXWYMYXAC-MRXNPFEDSA-N 240.368 2.918 0 40 BFAB CCCCOc1ccc(C=O)cc1C#N 232992148 FEHYETHFUVARDB-UHFFFAOYSA-N 203.241 2.550 0 40 BFAB C[C@@H](O)CC[C@@H]1CCCN1C(=O)OC(C)(C)C 242592450 OVDNBDMLFKXZLE-MNOVXSKESA-N 243.347 2.547 0 40 BFAB O[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 253614510 AUAIIBAFJHEYOJ-FMCRUOTFSA-N 236.155 2.888 0 40 BFAB CC(C)(C)OC(=O)N=c1cc[nH]cc1C(F)F 575629467 YNLGZQVSSKTTDE-UHFFFAOYSA-N 244.241 2.788 0 40 BFAB CCc1c(C)nn(C[C@@H]2CCSC2)c1C 634629073 MCRKRZAHINOPCK-NSHDSACASA-N 224.373 2.815 0 40 BFAB CCCn1c(C)nc2cc(C)cc(N)c21 1582202 WITWSHJUZWLHNE-UHFFFAOYSA-N 203.289 2.645 0 40 BFAB CCCS[C@@H]1CCCC[C@@H]1C(=O)O 1707820 DABOLUKERAQTBU-DTWKUNHWSA-N 202.319 2.773 0 40 BFAB CCOC(=O)C(C)(C)c1ccc(OC)cc1 1760584 ZISVYKNZALCDGC-UHFFFAOYSA-N 222.284 2.536 0 40 BFAB in-vitro Cc1nc(-c2ccc3c(c2)OCO3)cs1 3428985 SRJDCZPWIQZNQO-UHFFFAOYSA-N 219.265 2.847 0 40 BFAB CCOC(=O)NC12CC3CC(CC(C3)C1)C2 3896876 UUZRKUNSLBUDSM-UHFFFAOYSA-N 223.316 2.701 0 40 BFAB C[C@@H]1CN(C)C(C)(C)C[C@]1(O)c1ccccc1 4743700 SSRPOTWODWIGHO-IUODEOHRSA-N 233.355 2.624 0 40 BFAB Cc1ccc2c(c1)Oc1ncccc1C(=O)N2 5747498 LIBUCSSGWQGTRG-UHFFFAOYSA-N 226.235 2.748 0 40 BFAB O=C(O)[C@@H](Nc1ccccc1)c1ccsc1 6733597 QAQPTYAVZUUPPL-NSHDSACASA-N 233.292 2.986 0 40 BFAB Cc1c(N)cccc1C(=O)N1CCCC[C@H]1C 8703643 HPHQXUHFCSWAIG-SNVBAGLBSA-N 232.327 2.592 0 40 BFAB Sc1nnc(-c2ccccc2)n1C1CC1 11692611 AZGAXEFNCACYSU-UHFFFAOYSA-N 217.297 2.569 0 40 BFAB CC(C)(C)C(=O)N[C@@H]1CCc2ccccc21 12886538 ZPEJOGQZFKOPDL-GFCCVEGCSA-N 217.312 2.836 0 40 BFAB CC[C@H](C)OC(=O)c1ccc(Cl)cc1N 20156087 PXQZHAMZJSLQKW-ZETCQYMHSA-N 227.691 2.878 0 40 BFAB CCOc1ccc(OCC[C@H]2CCCCN2)cc1 20221528 XNMFCQDVUXGKKI-CYBMUJFWSA-N 249.354 2.996 0 40 BFAB Cc1ccc(C(=O)NCc2sccc2C)cn1 25721243 MZZFQVSXNWXWEU-UHFFFAOYSA-N 246.335 2.690 0 40 BFAB O=Cc1ccc(-c2ccncc2)cc1F 26543877 AHNWVWNDUXUVIY-UHFFFAOYSA-N 201.200 2.700 0 40 BFAB in-vitro C[C@@H](c1ccccc1)N(C)C(=O)[C@@H]1C[C@H]1C 32721763 SAGUQTRUDGVERG-NTZNESFSSA-N 217.312 2.862 0 40 BFAB CC[C@H](C)N[C@H]1CCc2ccccc2C1 34994257 DWSRRLUXUCZMOR-FZMZJTMJSA-N 203.329 2.932 0 40 BFAB COCC(=O)c1c(OC)ccc2ccccc12 36183013 FOCXLLOZDBIVIC-UHFFFAOYSA-N 230.263 2.678 0 40 BFAB CC(C)CCNC(=O)c1ccc2ccn(C)c2c1 40288519 BDOQSHZXLBLSTQ-UHFFFAOYSA-N 244.338 2.954 0 40 BFAB COc1ccc(COCC[C@H]2CCCNC2)cc1 42774068 PPZUTNKVFOISMG-CYBMUJFWSA-N 249.354 2.602 0 40 BFAB Cc1ccc(C(=O)[C@@H]2CCC[C@H]2C(=O)O)cc1C 43879208 UPTWQRAGCGYSIG-CHWSQXEVSA-N 246.306 2.987 0 40 BFAB CCCCCNC(=O)Cc1ccc(F)cc1 46464270 SGCASAKJKUQAEQ-UHFFFAOYSA-N 223.291 2.675 0 40 BFAB Cc1cc(OC(F)F)ncc1Br 47203156 YCSJOPXOJJNAGG-UHFFFAOYSA-N 238.031 2.754 0 40 BFAB in-vitro C[C@@H](CC(=O)Nc1cc[nH]n1)c1ccc(F)cc1 49449497 LZVJUWYYNUZCQJ-VIFPVBQESA-N 247.273 2.681 0 40 BFAB CC(C)(CN)Cc1cccc(Br)c1 49830865 LZTVAZIKIZXWMS-UHFFFAOYSA-N 242.160 2.977 0 40 BFAB CCn1c(C=O)nc2cc(Cl)ccc21 53944100 CDFXNMQLOQGEIY-UHFFFAOYSA-N 208.648 2.522 0 40 BFAB Cc1ccc(C(=O)OC(C)(C)C)cc1C=O 59774155 IDVUWRPVEJRDME-UHFFFAOYSA-N 220.268 2.763 0 40 BFAB O=C(O)CSc1ccnc2cc(F)ccc12 64874561 DEIJIRZUQAFGPM-UHFFFAOYSA-N 237.255 2.551 0 40 BFAB C[C@H]1CCCCN1C[C@H](O)c1ccccc1F 65575229 NJDSGOINJOZNSB-FZMZJTMJSA-N 237.318 2.734 0 40 BFAB CC(C)(C)SCCNC(=O)C1CCCC1 66739175 PEALBKNCBCBMKF-UHFFFAOYSA-N 229.389 2.825 0 40 BFAB Cc1nn(-c2ccccc2O)c(C)c1C 70675438 IHVOUZNUAKSPLX-UHFFFAOYSA-N 202.257 2.503 0 40 BFAB Cc1ccncc1NCc1cccc(O)c1 70958144 WMLRFCOZFPULTQ-UHFFFAOYSA-N 214.268 2.708 0 40 BFAB Cc1ccc(-c2ccccc2)c(C(=O)O)n1 71256494 LDCYXKJSDHWUNF-UHFFFAOYSA-N 213.236 2.755 0 40 BFAB CC(C)c1ccc([C@@H](C)OCCN)cc1 71510647 AJTJBWJSMJWAMI-LLVKDONJSA-N 207.317 2.846 0 40 BFAB CC(C)CNc1ncccc1C1=NCCC1 72213235 HYAWUVJQCZXCDU-UHFFFAOYSA-N 217.316 2.732 0 40 BFAB Cc1nc(N(C)c2ccccc2)ccc1CN 72224379 LFECGKWYOJMJKQ-UHFFFAOYSA-N 227.311 2.617 0 40 BFAB O=C1Nc2c(O)cccc2Oc2ccccc21 77293649 BSJGQDLAWVOTOE-UHFFFAOYSA-N 227.219 2.750 0 40 BFAB in-vitro COc1ccccc1C(=O)Nc1c(C)noc1C 84025579 QGEMHOVOYAKJEN-UHFFFAOYSA-N 246.266 2.552 0 40 BFAB FC(F)(F)c1nc(Cl)c2ccncc2n1 95095856 YBBQHRJFOYRZIT-UHFFFAOYSA-N 233.580 2.697 0 40 BFAB CC[C@@H](c1ccccc1)[S@@](=O)CCCOC 95411031 LPUAGHXCLJHSTB-XJKSGUPXSA-N 240.368 2.923 0 40 BFAB Nc1ncc2cc(-c3ccccc3)ccc2n1 98181668 MRFLSOAOHLQOOB-UHFFFAOYSA-N 221.263 2.879 0 40 BFAB CCCCC1(O)CC(C)(C)N([O])C(C)(C)C1 100537346 VZBGPEJBQXEYDU-UHFFFAOYSA-N 228.356 2.906 0 40 BFAB CCOC1(OCC)C[C@@H]2[C@@H]1[C@@H]1CC[C@@H]2C1 101045007 CXXNIJGNUVQONK-WYUUTHIRSA-N 210.317 2.822 0 40 BFAB CCOC(=O)[C@H]1[C@@H]2C[C@@H]3[C@@H](C[C@@]21C)C3(C)C 104051750 CQYRNURWODAYGR-UKRLYRRISA-N 222.328 2.868 0 40 BFAB C[C@@H](CO)N[C@H]1C[C@H](c2ccccc2)C1(C)C 123358025 BUHSTDYMOSNGSY-YUTCNCBUSA-N 233.355 2.539 0 40 BFAB Cc1ccc([S@](=O)Cc2ccccn2)cc1 191171810 FLMKPKKHAAJSED-MRXNPFEDSA-N 231.320 2.698 0 40 BFAB Cn1ccc2cc(Br)nc(Cl)c21 226136398 ILVANCJBLNTCKW-UHFFFAOYSA-N 245.507 2.989 0 40 BFAB C[C@@H]1C(=O)N(C)c2ccc(Br)cc21 575440980 DESFHVMRAOGPIK-LURJTMIESA-N 240.100 2.529 0 40 BFAB Cc1[nH]c2ccccc2c1[C@H](O)c1cccnc1 71962 CTDQZAAWPMOVPZ-OAHLLOKOSA-N 238.290 2.953 0 40 BFAB CCCc1c(C)c2ccc(O)cc2oc1=O 308176 HKJUWQFMRNKNAF-UHFFFAOYSA-N 218.252 2.760 0 40 BFAB biogenic CC[C@H](C)C(=O)Nc1cc(OC)ccc1OC 363762 DQHVTOQZTUOPHD-VIFPVBQESA-N 237.299 2.688 0 40 BFAB O=c1cc(-c2cccs2)ss1 1731545 CCYIDDHTAZJCIY-UHFFFAOYSA-N 200.309 2.898 0 40 BFAB COc1ccc(CCCC(C)(C)O)cc1 1765904 KFORQIPRUCNTQO-UHFFFAOYSA-N 208.301 2.789 0 40 BFAB Cc1cc(C)nc(NNc2ccccc2)n1 3121586 DIWCNVPQEQKQLZ-UHFFFAOYSA-N 214.272 2.532 0 40 BFAB N=C1N=C2c3ccccc3CN2Cc2ccccc21 4023021 MEYHMKCZRKNZOH-UHFFFAOYSA-N 247.301 2.788 0 40 BFAB biogenic c1ccc2[nH]c(SC[C@@H]3CCCO3)nc2c1 6025747 BAHJWCYIGQOZLV-VIFPVBQESA-N 234.324 2.834 0 40 BFAB c1ccc(SCCNCc2ccccn2)cc1 6651263 IOWMUTQOOJMJCP-UHFFFAOYSA-N 244.363 2.964 0 40 BFAB C[C@@H]1CNC[C@@H](C)N1c1ccccc1Cl 11632655 IFUNTWXOFLJIFM-NXEZZACHSA-N 224.735 2.527 0 40 BFAB c1cncc([C@H]2Nc3ccccc3CO2)c1 14000537 OTXBKWRXFUQHSL-ZDUSSCGKSA-N 212.252 2.723 0 40 BFAB Nc1cc(Cl)ccc1C(=O)NC1CCCC1 20156166 SBHONYJJTUKVKO-UHFFFAOYSA-N 238.718 2.595 0 40 BFAB CC(C)Sc1cccc(-c2nnc(N)o2)c1 26423878 HLHLBOHEPODZQC-UHFFFAOYSA-N 235.312 2.819 0 40 BFAB in-vitro O=C(Nc1ccc2c(c1)CCO2)C1CCCC1 27133314 SWDXGNODXMEBLD-UHFFFAOYSA-N 231.295 2.750 0 40 BFAB CC(C)n1[nH]c(-c2ccc(F)cc2)cc1=O 39947528 GUSKZFQFXKDSRR-UHFFFAOYSA-N 220.247 2.563 0 40 BFAB in-vitro CCn1ccnc1SC[C@H]1CCCCO1 40485690 CQSBDQWUEKYQAI-SNVBAGLBSA-N 226.345 2.564 0 40 BFAB CCCc1n[nH]c(CC2CCCCC2)n1 41057334 WFOASDPXZHEVRW-UHFFFAOYSA-N 207.321 2.880 0 40 BFAB Nc1cccc(C[S@](=O)Cc2ccccc2)c1 42372874 CFPYJKPMBBHLKE-KRWDZBQOSA-N 245.347 2.718 0 40 BFAB in-vitro Cc1ccc(C)c(C(=O)c2ccccn2)c1 43210502 UCRAXCCFLOBKAZ-UHFFFAOYSA-N 211.264 2.929 0 40 BFAB CCC(C)(C)c1ccc([S@@](=O)O)cc1 59992491 UQUOPXUAOMBGDA-UHFFFAOYSA-N 212.314 2.955 0 40 BFAB CCOc1ccc(/C=C/[C@@H](C)NC)cc1 70453317 HOFPANJSJXCCBR-MVIFTORASA-N 205.301 2.706 0 40 BFAB COc1cc(C)c([C@H]2CCCCN2C)cn1 72218031 YSKDLSHHGZESFB-GFCCVEGCSA-N 220.316 2.555 0 40 BFAB COC(=O)c1cc(Cl)cc(Cl)c1F 75914924 XNZBOSWQYVTGLM-UHFFFAOYSA-N 223.030 2.919 0 40 BFAB in-vitro CC(=O)c1sc(-c2c(C)noc2C)nc1C 77587746 RXIFCDGSIQUIDQ-UHFFFAOYSA-N 236.296 2.926 0 40 BFAB Cc1cc2ccccn2c1-c1csc(NN)n1 85397351 ZDOHBJZLUCHKBI-UHFFFAOYSA-N 244.323 2.657 0 40 BFAB COC(OC)c1ccc2ccccc2n1 96300053 FZOWBXKPBQKCGG-UHFFFAOYSA-N 203.241 2.526 0 40 BFAB CO/C=C(\F)C(=O)Nc1cccc(Cl)c1 98175035 KUMRUMGDVNVROM-TWGQIWQCSA-N 229.638 2.736 0 40 BFAB CC(C)[C@H]1OCCN1[C@H](C)CCCC(C)(C)O 102679671 RDSYFMCJZMLINT-CHWSQXEVSA-N 243.391 2.630 0 40 BFAB CS[C@@H]1CCC[C@@H]1N(C)Cc1cccnc1 110642416 LALKKMRVWINDPE-QWHCGFSZSA-N 236.384 2.798 0 40 BFAB Nc1cnccc1C(=O)c1ccc(Cl)cc1 199712044 ALCXXUOAOZCFRQ-UHFFFAOYSA-N 232.670 2.548 0 40 BFAB Cc1cnn(CCF)c1NCCc1ccccc1 256054617 XAKWJWCUAFDTID-UHFFFAOYSA-N 247.317 2.816 0 40 BFAB CC(C)(C)OC(=O)N[C@@H]1CC(F)(F)C[C@@H]1F 710673636 WZBPQGVPNWCBHJ-NKWVEPMBSA-N 239.237 2.647 0 40 BFAB COc1cc(C)c(-c2ccc(=O)n(C)c2)c(C)c1 904873941 NHXKBBVNDKEHJP-UHFFFAOYSA-N 243.306 2.678 0 40 BFAB Oc1cccc(OCC(F)(F)C(F)(F)F)c1 1083811067 SHHUKWIJCPFFGL-UHFFFAOYSA-N 242.143 2.969 0 40 BFAB Oc1ccc(OC(F)(F)C(F)(F)F)cc1 160475 SSIHBJIMARRDHZ-UHFFFAOYSA-N 228.116 2.926 0 40 BFAB COc1ccc(C(=O)Cc2ccccc2O)cc1 1512178 FOIVXRFDKFQZPR-UHFFFAOYSA-N 242.274 2.826 0 40 BFAB C[C@@H]1CCCN(CCC(=O)c2ccccc2)C1 1685730 PWJRCBZVIFAULR-CYBMUJFWSA-N 231.339 2.991 0 40 BFAB c1ccc2c(c1)OCOc1ccccc1OCO2 1704064 POTKLDKTNSEKOI-UHFFFAOYSA-N 244.246 2.831 0 40 BFAB CCOC1=CC(=O)O[C@@H](c2ccccc2)C1 2046315 PROSGESLBNKEFD-GFCCVEGCSA-N 218.252 2.595 0 40 BFAB CC(C)OC[C@H](O)CNC(C)(C)CC(C)(C)C 2687832 QOXQTCJPMXZOMI-GFCCVEGCSA-N 245.407 2.577 0 40 BFAB CC(=O)OCC(=O)[C@]1(C)CC[C@@H](C)C1(C)C 3846169 ULLVLIKQBNKVSQ-RNCFNFMXSA-N 226.316 2.581 0 40 BFAB biogenic C[C@@]1(C(=O)O)CC[C@H]2C(Br)=C[C@@]21C 4084484 XVYWNXXKUFDIRD-JUWDTYFHSA-N 245.116 2.786 0 40 BFAB CCc1ccc2nc(SCCN(C)C)[nH]c2c1 5985263 QFFYPGLNDWBJJY-UHFFFAOYSA-N 249.383 2.779 0 40 BFAB COc1cccc(C(=O)NC2CCCCC2)c1 6174691 LNIIHPOXLIONRR-UHFFFAOYSA-N 233.311 2.758 0 40 BFAB Cc1cc(C)c(-c2cc(C(=O)O)n[nH]2)c(C)c1 6848925 XIFPDZCKKLKSRD-UHFFFAOYSA-N 230.267 2.700 0 40 BFAB CC1(C)CO[C@@H](c2cccc(Cl)c2)CN1 11803235 OFJQFAKNSFCCTE-LLVKDONJSA-N 225.719 2.780 0 40 BFAB O=C(O)c1cc2ccccc2nc1N1CCCC1 11986971 IPLRIFOYICTCRM-UHFFFAOYSA-N 242.278 2.533 0 40 BFAB in-vitro CC[C@H](NCCOC)c1ccc(C)cc1 19881625 JBNHQQWTPNFRIE-ZDUSSCGKSA-N 207.317 2.682 0 40 BFAB O=C(c1ccc(N2CCCC2)cc1)N1CCCC1 20019504 UFJFBOZACVHIQV-UHFFFAOYSA-N 244.338 2.523 0 40 BFAB CCCCCC(=O)Nc1ccc(F)c(N)c1 20157393 VIPZRMWHZKUFNS-UHFFFAOYSA-N 224.279 2.927 0 40 BFAB C[C@H]1CCCN([C@@H](CN)c2ccc(F)cc2)C1 22216388 DABCZYVSGXTBSE-FZMZJTMJSA-N 236.334 2.557 0 40 BFAB Cc1cccc(CNC(=O)c2ccoc2C)c1 26021493 SDRAUPAIEQTVHY-UHFFFAOYSA-N 229.279 2.826 0 40 BFAB CN(Cc1cccs1)C(=O)NC1CCCC1 31035960 NWQDZMAGSKYTAL-UHFFFAOYSA-N 238.356 2.832 0 40 BFAB NCc1ccc(-c2ccc(F)cc2F)o1 34975318 FPJVNGNOFGNKLE-UHFFFAOYSA-N 209.195 2.684 0 40 BFAB CCOc1ccc2[nH]c(C)c(C)c(=O)c2c1 37947548 VGZBFXFRGIJQLZ-UHFFFAOYSA-N 217.268 2.544 0 40 BFAB CCCn1c(CO)nc2cc(Cl)ccc21 40417507 QXFIBUHLFHYGOV-UHFFFAOYSA-N 224.691 2.592 0 40 BFAB Cc1ccccc1OCC[C@H]1CCCNC1 42772513 FJGQECORJKUJGH-CYBMUJFWSA-N 219.328 2.764 0 40 BFAB CC(C)=CC(=O)Nc1ccc(N(C)C)cc1C 44546075 VYNRGRNWFHHYQA-UHFFFAOYSA-N 232.327 2.966 0 40 BFAB O=C(O)c1cc(-c2ccccc2F)ccn1 47204934 ANEFLGDIAXNGAS-UHFFFAOYSA-N 217.199 2.586 0 40 BFAB Cc1ccc(CNC(=O)C2CCCCC2)cn1 48600167 SDTYDFPVVBDTCU-UHFFFAOYSA-N 232.327 2.587 0 40 BFAB Brc1cccc(Cn2cccn2)c1 49600513 RXAVSUHRVOXVKQ-UHFFFAOYSA-N 237.100 2.694 0 40 BFAB in-vitro CNCCCc1ccc(OC(F)(F)F)cc1 52948936 QFUGNYKGTQERIA-UHFFFAOYSA-N 233.233 2.737 0 40 BFAB Cc1nc(CNc2ccccc2C)c[nH]1 54798155 MJALDQGFMHJKCU-UHFFFAOYSA-N 201.273 2.639 0 40 BFAB c1ccc(N[C@H]2CCN(c3ccccn3)C2)cc1 71899574 CBRUBVMDRAGESN-AWEZNQCLSA-N 239.322 2.772 0 40 BFAB CC(=O)N1CCC[C@H]1c1cnc(Cl)c(C)c1 72217773 LOAIWJJLQWTVRK-NSHDSACASA-N 238.718 2.727 0 40 BFAB Cc1ccccc1CN1C[C@@H]2CCCN2C[C@@H]1C 72324426 SQOWSENQVLOOAZ-HOCLYGCPSA-N 244.382 2.664 0 40 BFAB Cc1ccc([C@@H](NC(=O)NC2CC2)C2CC2)cc1 74016550 YTGSUQUQMCPKDG-CQSZACIVSA-N 244.338 2.908 0 40 BFAB NCCc1cnc(C2CCCCC2)s1 84391301 CFDWFDSUVSDQDG-UHFFFAOYSA-N 210.346 2.692 0 40 BFAB CCOc1cc(-c2nc(C(C)C)n[nH]2)ccc1O 85384579 DHSSKGVJYSVAHF-UHFFFAOYSA-N 247.298 2.699 0 40 BFAB CC(C)c1ccc(N(C)C(=O)[C@@H]2CCOC2)cc1 89893408 TVUIYPYGVCUIHO-CYBMUJFWSA-N 247.338 2.809 0 40 BFAB C[C@@H](O)c1cc(Br)cnc1Cl 95836969 GTTWHKVMEWGTPC-SCSAIBSYSA-N 236.496 2.551 0 40 BFAB CC(NCCO)(c1ccccc1)c1ccccc1 96491546 BDYWZEYCFXUWPY-UHFFFAOYSA-N 241.334 2.532 0 40 BFAB CCOC(=O)CCc1ccc(F)c(Cl)c1 106489013 ALHRJFWGNABJHR-UHFFFAOYSA-N 230.666 2.975 0 40 BFAB CCOC(=O)[C@@H](Cc1ccc(C)cc1)OCC 165421042 RSJYKRXATHYOFS-CYBMUJFWSA-N 236.311 2.506 0 40 BFAB NN[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F 199536391 CEUSIXJSTJOGRI-ZETCQYMHSA-N 242.603 2.546 0 40 BFAB Cc1cc(C)c([C@@H](NN)C(F)(F)F)c(C)c1 199538283 SPQDQDAGNIQONW-SNVBAGLBSA-N 232.249 2.679 0 40 BFAB O=C(O)[C@@H]1C[C@H]1Cc1ccc(Cl)cc1 215944560 HALAZAZTPYNQQS-PSASIEDQSA-N 210.660 2.603 0 40 BFAB COc1cc(C(=O)CCSC)cc(F)c1F 382675041 MQSFXHHPBFVBAG-UHFFFAOYSA-N 246.278 2.909 0 40 BFAB Cc1cc(CO)c(Cl)cc1Br 575676672 DNOMFJWGDBBQNW-UHFFFAOYSA-N 235.508 2.903 0 40 BFAB Sc1ccc(CN2CCCCCC2)o1 685936144 HEZCZOHZJMFNCW-UHFFFAOYSA-N 211.330 2.944 0 40 BFAB CCN(CC)Cc1cc(C)cc2c1COC2 487956 FPEDLIGCSZAMKC-UHFFFAOYSA-N 219.328 2.867 0 40 BFAB biogenic Cc1cc(C)cc(C(=O)N2CCCCC2)c1 496642 AQHJKBSQINEAON-UHFFFAOYSA-N 217.312 2.930 0 40 BFAB C[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1 971902 BDVZXZBKLDUQNY-DGCLKSJQSA-N 217.312 2.995 0 40 BFAB Cc1ccc2nc(N(C)C)cc(N(C)C)c2c1 1573332 NSJMQHUSQKXDIO-UHFFFAOYSA-N 229.327 2.675 0 40 BFAB CCOCC(=O)Nc1cccc2ccccc12 2069569 AFNDAWBWFWAFMX-UHFFFAOYSA-N 229.279 2.815 0 40 BFAB Cc1cccc(-n2ncc3c(Cl)ncnc32)c1 2454952 DLHSWXBXKPTYSR-UHFFFAOYSA-N 244.685 2.777 0 40 BFAB C[C@@H]1CCCC[C@H]1NC1=NCCCS1 3259317 KHBQUQCRMLRFHV-NXEZZACHSA-N 212.362 2.648 0 40 BFAB Cc1cc(C)cc(-c2nnc(S)o2)c1 5960116 KJGDENXYYRACQD-UHFFFAOYSA-N 206.270 2.642 0 40 BFAB in-vitro O=C(c1ccncc1)N1CC[C@H]2CCCC[C@@H]2C1 8428387 OIVIFBSWWZLRPS-TZMCWYRMSA-N 244.338 2.734 0 40 BFAB O=Cc1cccc(OCCOc2ccccc2)c1 8726737 LXJJIJFQPTYTHB-UHFFFAOYSA-N 242.274 2.957 0 40 BFAB in-vitro CCCCN(CC)[C@H](C(=O)O)c1ccccc1 11962533 ODWXHGSVGATZRH-ZDUSSCGKSA-N 235.327 2.934 0 40 BFAB C[C@H]1C[C@@H]1C(=O)N(C)Cc1ccccc1Cl 12979434 MISYTIIRDFJOOG-ONGXEEELSA-N 237.730 2.954 0 40 BFAB CCc1ccccc1O[C@@H](C)C(=O)N[C@H](C)CC 20459096 LDSJFHDLKIJSMH-NEPJUHHUSA-N 249.354 2.931 0 40 BFAB Cc1cc(F)ccc1Nc1ncccc1N 20585680 SVNHSJSOFYSCFR-UHFFFAOYSA-N 217.247 2.855 0 40 BFAB Cc1cc2sc(NN)nc2cc1Cl 22124524 HTCISEVANOXRIO-UHFFFAOYSA-N 213.693 2.544 0 40 BFAB Cc1cc(C(=O)NCc2cccnc2)sc1C 28200388 UFLMYEALUILTME-UHFFFAOYSA-N 246.335 2.690 0 40 BFAB O=C(c1ccc2c(c1)CCC2)N1CCCCC1 32666213 ORRVDYQHEDJUSO-UHFFFAOYSA-N 229.323 2.801 0 40 BFAB CC(C)[C@H](CC(=O)O)Cc1ccccc1 41214798 YLDJHOTXCVFQHW-LBPRGKRZSA-N 206.285 2.976 0 40 BFAB CCCn1nc(C)c(Br)c1C 41367399 DFWDLCVJEAGMET-UHFFFAOYSA-N 217.110 2.672 0 40 BFAB in-vitro CCOC(=O)c1ncoc1-c1cccc(F)c1 43304287 PVKNYZFXHNFWRI-UHFFFAOYSA-N 235.214 2.657 0 40 BFAB Cc1cccc([C@@H]2CCCN(C(=O)C(C)C)C2)n1 72361232 IBLQGKYLEOHFKC-CYBMUJFWSA-N 246.354 2.752 0 40 BFAB NCC1(CSc2ccccc2)CCC1 85390410 SFYZQIBWIYYQHL-UHFFFAOYSA-N 207.342 2.908 0 40 BFAB Cc1coc2c1[C@H](O)C[C@H](C(F)(F)F)C2 85399162 QHPGXOSSNIGLBJ-NKWVEPMBSA-N 220.190 2.746 0 40 BFAB CC(C)Oc1ccc(NCc2cc[nH]n2)c(F)c1 95448765 MNOORGJHMMKYDI-UHFFFAOYSA-N 249.289 2.948 0 40 BFAB CC(C)CC[C@H]1CCCCN1C(=O)CCCN 97019193 YLTSUHAMWXOFHB-CYBMUJFWSA-N 240.391 2.543 0 40 BFAB Cc1occc1SCC[C@H]1CCOC1=O 131434147 CVDGRWDLVSGXQQ-SECBINFHSA-N 226.297 2.633 0 40 BFAB CC(=O)Nc1cc(F)c(C)c2c1CCCC2=O 138297504 OMNUGNSWHKWBST-UHFFFAOYSA-N 235.258 2.612 0 40 BFAB CC(C)CO[C@H]1CCN(C(=O)OC(C)(C)C)C1 151007099 DIKMZFFXJAPINZ-NSHDSACASA-N 243.347 2.668 0 40 BFAB CC(C)CCN1C[C@@H](O)C[C@@H]1CC(C)C 217886151 ULFUZDXSRZTKJJ-STQMWFEESA-N 213.365 2.514 0 40 BFAB Cc1cccc(C[C@H](OCC(C)C)C(=O)O)c1 220686830 UGWRJCBSIRDVQM-ZDUSSCGKSA-N 236.311 2.663 0 40 BFAB Clc1cccnc1O[C@@H]1CCSC1 585655161 VOEFEUDVWJPYGV-SSDOTTSWSA-N 215.705 2.619 0 40 BFAB Clc1cnc2nc3c(cc2c1)[C@H]1CC[C@@H](C3)N1 2087065686 DEAOFONSOSSKRD-GXSJLCMTSA-N 245.713 2.632 0 40 BFAB C[n+]1ccc(/C=C/c2cccs2)cc1 55356 YCKKQPOPNSCUEV-SNAWJCMRSA-N 202.302 2.743 0 40 BFAB Nc1cccc(NC(=O)c2ccc(F)cc2)c1 361676 PLZFORZODOSNBW-UHFFFAOYSA-N 230.242 2.660 0 40 BFAB On1c(-c2ccc(Cl)cc2)nc2ncccc21 1396585 UQLFWZBIRFILGQ-UHFFFAOYSA-N 245.669 2.989 0 40 BFAB CC(=O)Oc1ccc(O)c(C(C)(C)C)c1 1600231 DSIBRHDTGCDPAC-UHFFFAOYSA-N 208.257 2.615 0 40 BFAB O[C@H](c1ccccn1)c1ccccc1Cl 1666120 JJLLLHORCIVGMC-LBPRGKRZSA-N 219.671 2.817 0 40 BFAB CCC(CC)=C1OC(=O)C(=O)N1c1ccccc1 1752054 MPOHPGROEOYNRR-UHFFFAOYSA-N 245.278 2.608 0 40 BFAB Cc1sc(C=O)cc1Cn1cc(Cl)cn1 2554531 ZCYAHKKJXAUZPU-UHFFFAOYSA-N 240.715 2.767 0 40 BFAB O=C1OCC[C@H]1Sc1ccc2ccccc2n1 5627334 AIFDNMGBVJDLNZ-LLVKDONJSA-N 245.303 2.642 0 40 BFAB N[C@@H](c1ccc(Cl)cc1)c1ccccn1 11737311 VUJAPENWAJMJON-LBPRGKRZSA-N 218.687 2.783 0 40 BFAB C[C@H]1C[C@@H](C)OC(Cc2ccccc2)O1 12402953 ZUSPQJCMNWQMSN-QYJAPNMZSA-N 206.285 2.769 0 40 BFAB COc1cccc(NC(=O)C[C@H]2C=CCC2)c1 12876825 MPKQRJQCYOCUJN-NSHDSACASA-N 231.295 2.990 0 40 BFAB O=C(Nc1cc(F)cc(F)c1)c1ccccn1 18253837 MFWLXNBJXHTAPH-UHFFFAOYSA-N 234.205 2.612 0 40 BFAB COC[C@@H](C)N[C@@H](C)c1ccccc1C 19904859 WJBOLYLDTPHQPR-NEPJUHHUSA-N 207.317 2.681 0 40 BFAB Cc1c(NC(=O)CC(C)C)cccc1C(=O)O 20136820 NRKYSXVYEWTHGH-UHFFFAOYSA-N 235.283 2.678 0 40 BFAB CN(C)[C@H](c1ccccc1)[C@H](N)c1ccccc1 20260356 OEDXASUOCKHCRL-HZPDHXFCSA-N 240.350 2.989 0 40 BFAB O=C(O)c1c2c(nc3cc(F)ccc13)CCC2 20284385 CDMNTHSYBSXIRQ-UHFFFAOYSA-N 231.226 2.561 0 40 BFAB Nc1nc(-c2ccc3cc[nH]c3c2)cs1 32920088 MEURNFWCRSLNPE-UHFFFAOYSA-N 215.281 2.874 0 40 BFAB COc1ccc(C(=O)c2cccs2)c(OC)c1 36181212 JRKUXINHHCVLTA-UHFFFAOYSA-N 248.303 2.996 0 40 BFAB COc1cc(S)c(Cl)cc1OC 36926253 REIRDXYGRJGSNX-UHFFFAOYSA-N 204.678 2.646 0 40 BFAB in-vitro Nc1cc(Cl)c(Cl)c(Cl)c1O 38892891 FADPKOKICNFAMH-UHFFFAOYSA-N 212.463 2.935 0 40 BFAB in-vitro O[C@@H]1CCCC[C@@H]1Nc1cccc(F)c1F 40230486 ZUGHOLBBPUTODQ-GXSJLCMTSA-N 227.254 2.680 0 40 BFAB CCOC[C@@H](C)Nc1ncnc2ccsc12 44416401 TVUIKAZFDARSON-MRVPVSSYSA-N 237.328 2.528 0 40 BFAB Cc1ccc(C(=O)c2ccccc2C)nc1 45028528 TUWQEGKNSBUINQ-UHFFFAOYSA-N 211.264 2.929 0 40 BFAB CC[C@@H]1CCCN(C(=O)CC[C@H]2CCCO2)C1 48199733 TXHYQOIEZWGOTE-CHWSQXEVSA-N 239.359 2.594 0 40 BFAB CC(C)c1ccc(COC[C@H]2CCNC2)cc1 48895432 NFCNQLXKBSERSZ-AWEZNQCLSA-N 233.355 2.936 0 40 BFAB in-vitro CC(=O)Cc1cc(Br)ccc1F 53765717 GJECSOMQWPXCTA-UHFFFAOYSA-N 231.064 2.720 0 40 BFAB CCCCNC(=O)N(C)C(C1CC1)C1CC1 65282892 CMLJSYBGRDQXAV-UHFFFAOYSA-N 224.348 2.617 0 40 BFAB Cc1ccc(C)n1-c1sccc1C(=O)N(C)C 65475315 CSUQZDDLILDRIY-UHFFFAOYSA-N 248.351 2.857 0 40 BFAB C[C@H]1CC(=O)CCN1[C@H](C)c1ccccc1 66351867 XOGIRAQPVLKDBV-NWDGAFQWSA-N 217.312 2.801 0 40 BFAB CCOc1ccc(C)cc1CNC1CC1 70955085 NZWFSKFKGAVVFO-UHFFFAOYSA-N 205.301 2.646 0 40 BFAB CCC(C)(CC)NC(=O)Nc1cccnc1 72282421 XPXBSEJQQHNYQX-UHFFFAOYSA-N 221.304 2.782 0 40 BFAB CCOc1ccc(-c2ccc(C(=O)O)o2)cc1N 73640299 MIUCDFAEHSETLI-UHFFFAOYSA-N 247.250 2.626 0 40 BFAB CC(C)OC(=O)c1cc(Cl)nc(Cl)c1 82643217 CJXYWVNGWNRZMU-UHFFFAOYSA-N 234.082 2.954 0 40 BFAB CCC(CC)N(C)C(=O)N[C@H](C)C(C)C 84727515 CCQDSBWWPXUSOK-SNVBAGLBSA-N 214.353 2.861 0 40 BFAB O=C(NC(C1CC1)C1CC1)N1C[C@@H]2CCC[C@H]2C1 89817869 MZJGSQNNXSFSIX-STQMWFEESA-N 248.370 2.617 0 40 BFAB CC(C)c1nc(Cl)c2ccncc2n1 95095857 OOIPALNJRGYWBD-UHFFFAOYSA-N 207.664 2.802 0 40 BFAB c1nn(C2CCCCC2)cc1C1CCNCC1 95097685 UCFRGFHPLPOHPR-UHFFFAOYSA-N 233.359 2.855 0 40 BFAB CCN(CC(C)C)C(=O)c1ncoc1C(C)C 95394674 KVQWOJLWYXHLCI-UHFFFAOYSA-N 238.331 2.916 0 40 BFAB CCC[C@@](C)(O)c1ccc(N(C)C)cc1 95739332 DVRGWDXRSZIENZ-CYBMUJFWSA-N 207.317 2.760 0 40 BFAB O=C(CCSc1ccccc1)Nc1ncco1 95941703 WZSWQJWNAKEMSA-UHFFFAOYSA-N 248.307 2.796 0 40 BFAB O=C(O)c1cc(-c2c(F)cccc2Cl)on1 95949850 OQEMXKCDALJGDB-UHFFFAOYSA-N 241.605 2.832 0 40 BFAB c1sc([C@H]2CCOC2)nc1C1CCOCC1 96490187 GKICGKTYXMZRQK-JTQLQIEISA-N 239.340 2.541 0 40 BFAB CC(C)c1nc2ccccc2n1C[C@@H]1CCCN1 96510513 WLUMGZBYOSKJIO-LBPRGKRZSA-N 243.354 2.912 0 40 BFAB C[C@@H](N[C@@]1(C)CCOC1)c1ccccc1 97038587 APECCHLCVFWNHX-YPMHNXCESA-N 205.301 2.516 0 40 BFAB C1CCN(CCCN2CCC3(CCC3)C2)CC1 97103364 FGSDGVZIRNYRNL-UHFFFAOYSA-N 236.403 2.738 0 40 BFAB Cc1ccc(C(=O)[C@H]2C(=O)[C@H]3CC[C@@H]2C3)cc1 104116954 WBQVVYIWQLXMTJ-AGIUHOORSA-N 228.291 2.793 0 40 BFAB C=C/C=C\NC(=O)OCc1ccccc1 104272883 LSQDRSXFUSBRBP-OQFOIZHKSA-N 203.241 2.613 0 40 BFAB COCCC[S@](=O)Cc1ccccc1Cl 191206244 ROVOAUZELNTGMR-HNNXBMFYSA-N 246.759 2.625 0 40 BFAB CCc1ccc(N2CCN[C@H]3CCC[C@H]32)cc1 218846191 NPOGMVVUPHQGBC-LSDHHAIUSA-N 230.355 2.580 0 40 BFAB NNc1ccc(OC2CCCCC2)cc1 221286475 CGQOQKIKSIRUKR-UHFFFAOYSA-N 206.289 2.684 0 40 BFAB CC1CC(c2[nH]ncc2Br)C1 242548254 LFPDBZPUUZZZTH-UHFFFAOYSA-N 215.094 2.686 0 40 BFAB Cc1ccccc1CC[C@@H](N)C(F)(F)F 257198231 WVBNCEIMWHMBFP-SNVBAGLBSA-N 217.234 2.817 0 40 BFAB CC[C@@H]1Cc2[nH]ccc2[C@H](C(C)C)N1C 260825815 FJMCVKFCWPJSRX-MFKMUULPSA-N 206.333 2.978 0 40 BFAB CC(=O)OCC(=O)c1cccc(C(C)(C)C)c1 575357848 WLJKJSHANFLRHN-UHFFFAOYSA-N 234.295 2.730 0 40 BFAB CC(C)NC(=O)NCC(C)(C)c1ccsc1 1565520188 ILLDYOBWNXGVOE-UHFFFAOYSA-N 240.372 2.733 0 40 BFAB CC(=O)N(Cc1ccccc1)[C@H](C)C1CC1 158189 KKNCMPFBSNHOCN-LLVKDONJSA-N 217.312 2.834 0 40 BFAB CC(=O)Nc1nnc(C2CCCCC2)s1 208313 YYRJXZYGFGRTQT-UHFFFAOYSA-N 225.317 2.544 0 40 BFAB O=C(O)CCCCC(=O)c1ccc(F)cc1F 2378719 FQQOPNXAYXWRBX-UHFFFAOYSA-N 242.221 2.793 0 40 BFAB Fc1ccc(CC2CCNCC2)cc1F 2512986 GTIPRWLJTBFXAB-UHFFFAOYSA-N 211.255 2.507 0 40 BFAB COc1ccccc1NC(=O)c1ccccc1O 3210964 TXTYCRDSEDLUKI-UHFFFAOYSA-N 243.262 2.653 0 40 BFAB CC1(C)[C@@H]2[C@@H]3[C@@](C)(O)CC[C@]3(C)[C@H](O)CC[C@H]21 4104722 NRGJKTHILQTODV-JVHLPBCQSA-N 238.371 2.581 0 40 BFAB biogenic,in-vitro CCCCCNC(=O)c1cccc(N(C)C)c1 5261187 GGRACPNOCDAMEH-UHFFFAOYSA-N 234.343 2.673 0 40 BFAB CC/C=C1/N=C(c2ccc(Cl)cc2)OC1=O 5734044 KVCHIFCUABPSOQ-XCVCLJGOSA-N 235.670 2.937 0 40 BFAB Cn1cnnc1SCc1cccc(Cl)c1 5943471 LEXNZEKEAJKPPM-UHFFFAOYSA-N 239.731 2.761 0 40 BFAB O=C1C[C@H]2CCCC[C@@H]2C12SCCS2 5975897 WGGVKUSALOMDKF-BDAKNGLRSA-N 228.382 2.942 0 40 BFAB C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1N 6667021 AGRYXJXORFJLEB-SECBINFHSA-N 236.315 2.855 0 40 BFAB CC(=O)Nc1ccc(Sc2cnccn2)cc1 8076591 NMVRTRYABSAFGC-UHFFFAOYSA-N 245.307 2.586 0 40 BFAB Cc1occc1-c1nc2n(n1)Cc1ccccc1-2 12372532 VYEWTRBBMCFDEK-UHFFFAOYSA-N 237.262 2.875 0 40 BFAB CCN(CC)Cc1ccc(OC)c(OC)c1 13896863 QHHFJGWLGZEHFV-UHFFFAOYSA-N 223.316 2.546 0 40 BFAB Clc1cnc(Br)c2cc[nH]c12 14986212 QULWOGLBWMRZGR-UHFFFAOYSA-N 231.480 2.979 0 40 BFAB COc1cc(/C=C\c2cccs2)oc(=O)c1 17104434 AHMATMGVWJGJGP-PLNGDYQASA-N 234.276 2.880 0 40 BFAB O=C(c1ccc2[nH]cnc2c1)N1CCCCCC1 17321060 UGXJNRDJOSGFJD-UHFFFAOYSA-N 243.310 2.579 0 40 BFAB N[C@@H](c1cccs1)c1ccccc1F 19842105 ARPNIAYLTPIXDA-LLVKDONJSA-N 207.273 2.935 0 40 BFAB Cc1ccc(-n2nc(C)nc2Cl)cc1 22125208 OEPFFXAXWHKMAR-UHFFFAOYSA-N 207.664 2.538 0 40 BFAB C[C@@H](NC(=O)c1ccc(O)c(Cl)c1)C1CC1 25591927 GFILKRFCUQZYNY-SSDOTTSWSA-N 239.702 2.574 0 40 BFAB CN(Cc1cccc(Cl)c1)C(=O)NC1CC1 26518607 WBXWEVSIUCWNNE-UHFFFAOYSA-N 238.718 2.644 0 40 BFAB O=C(Nc1ccc2c(c1)CCO2)[C@H]1CC=CCC1 31343235 RFYGAKFAJWMNKE-NSHDSACASA-N 243.306 2.916 0 40 BFAB C[C@@H](N(C)C(=O)c1cccnc1)C(C)(C)C 32788121 AVEZMDSNLIBECJ-SNVBAGLBSA-N 220.316 2.588 0 40 BFAB CC[C@H](C)C(=O)c1ccc2c(c1)OCCO2 36940327 MWCQFKLJRPIKBV-VIFPVBQESA-N 220.268 2.687 0 40 BFAB Cc1ccc(NCc2ccncc2)c(N)c1 37401310 JIUXCDMPXFUIJX-UHFFFAOYSA-N 213.284 2.584 0 40 BFAB CC[C@H]1CCCN(C(=O)CC[C@H]2CCCO2)C1 48199735 TXHYQOIEZWGOTE-QWHCGFSZSA-N 239.359 2.594 0 40 BFAB COC(=O)C[C@@H](N)c1ccc(Cl)cc1Cl 57270757 GRGBTOZDPJFRCV-SECBINFHSA-N 248.109 2.556 0 40 BFAB O=C(Nc1c(F)cccc1F)c1cccnc1 66280546 JGBYRCUTFZOGAK-UHFFFAOYSA-N 234.205 2.612 0 40 BFAB Cc1cc(N2CCCC2)ncc1[C@@H]1CCCN1C 72218845 FSDDOLKUFFICJH-AWEZNQCLSA-N 245.370 2.757 0 40 BFAB Cc1cccc([C@@H]2CCCN2c2ncccn2)n1 72357265 IGDVOFZTVJVUHJ-ZDUSSCGKSA-N 240.310 2.522 0 40 BFAB CS[C@H]1CCCN(c2ccccc2)C1=O 79355832 VKCHVODLKKWPDO-NSHDSACASA-N 221.325 2.545 0 40 BFAB CC(C)(C)c1ccc(-n2nccc2N)cc1 82535040 GWRROYFGAMEOFY-UHFFFAOYSA-N 215.300 2.752 0 40 BFAB CCN(CC)c1nc(C)c(C(=O)O)cc1Cl 95097599 IBLABGYRAFTESD-UHFFFAOYSA-N 242.706 2.588 0 40 BFAB CCOC(=O)CCOc1cccc(Cl)c1F 95734096 OCXWDPDOVSPCRG-UHFFFAOYSA-N 246.665 2.811 0 40 BFAB c1csc(CNc2nnc(CC3CC3)o2)c1 95990089 DFOXDTYMPHKBKM-UHFFFAOYSA-N 235.312 2.696 0 40 BFAB O=C(O)c1cc2[nH]ccc2cc1Br 96321124 KZDAYIRBVQRKRT-UHFFFAOYSA-N 240.056 2.629 0 40 BFAB CCC(=O)NC[C@@H](CC)Oc1ccccc1F 96451720 GBHYDXIXSYFVML-SNVBAGLBSA-N 239.290 2.509 0 40 BFAB COC[C@@H](NCC(F)(F)F)c1ccccc1 96491361 YKCIYDIPAKRNEL-SNVBAGLBSA-N 233.233 2.526 0 40 BFAB C[C@H](N[C@]1(C)CCOC1)c1ccccc1 97038582 APECCHLCVFWNHX-WCQYABFASA-N 205.301 2.516 0 40 BFAB COc1cccc(CCC2C(=O)CCCC2=O)c1 100412640 PPNXCNKVYOOFQU-UHFFFAOYSA-N 246.306 2.566 0 40 BFAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NCc1ccccn1 104734636 VPZNRCARLBPTFC-AVGNSLFASA-N 244.338 2.524 0 40 BFAB CCc1cccc([N+](=O)[O-])c1Br 147535455 IPETVEOHJXQCIK-UHFFFAOYSA-N 230.061 2.920 0 40 BFAB CCOCC1CCN(c2cccc(C)n2)CC1 157554283 TXZJSXDYXWKNGK-UHFFFAOYSA-N 234.343 2.643 0 40 BFAB OCC1(N[C@H]2CC[C@@H](Cc3ccccc3)C2)CC1 188429361 CKOIGUFMENFNNK-GJZGRUSLSA-N 245.366 2.512 0 40 BFAB CCCc1nc(-c2ccc(N)cc2Cl)no1 225175129 TWDOFRUAJOVRHB-UHFFFAOYSA-N 237.690 2.925 0 40 BFAB CCCCNc1ccc(N)cc1C(=O)NCCC 225453008 SHQGNKSPXUZQSA-UHFFFAOYSA-N 249.358 2.621 0 40 BFAB COC(=O)c1nc(C)c(C)c2ccccc12 225747548 YASCYGRBWNGIGP-UHFFFAOYSA-N 215.252 2.638 0 40 BFAB O=C1CS[C@H](c2ccc(Cl)c(Cl)c2)N1 99920 BVOSQEUUTGDSKB-SECBINFHSA-N 248.134 2.855 0 40 BFAB CCOC(=O)CNc1cccc(C(F)(F)F)c1 328486 SXAIOMBBQSGXRC-UHFFFAOYSA-N 247.216 2.680 0 40 BFAB CSc1nc(N)c2c(C)c(C)sc2n1 985194 OWZCHEFDQNYUOA-UHFFFAOYSA-N 225.342 2.612 0 40 BFAB O=C(O)[C@]1(c2ccccc2)O[C@H]1c1ccccc1 1733979 VTCBMUQQGHEZCK-DZGCQCFKSA-N 240.258 2.738 0 40 BFAB Cc1ccc(OCC(=O)O)c(C(C)C)c1 2585646 HZXPHEPHXVISFD-UHFFFAOYSA-N 208.257 2.582 0 40 BFAB O=C(Nc1ccc(Cl)cc1)Nc1ccon1 2762917 RUKGRRFRKPUCSJ-UHFFFAOYSA-N 237.646 2.972 0 40 BFAB CC(C)[C@@H](C)NC(=O)c1ccccc1F 5381460 SMEHAKLIJZGPLD-SECBINFHSA-N 209.264 2.600 0 40 BFAB O=C1c2ccccc2Cc2cccc(O)c21 6117388 AXHRXVXCOMMNLG-UHFFFAOYSA-N 210.232 2.527 0 40 BFAB in-vivo CC(C)=CC(=O)N1CCc2ccccc21 6614206 JRYSGHYWXXHNRD-UHFFFAOYSA-N 201.269 2.542 0 40 BFAB CCNCc1c(OC)ccc2ccccc12 8227103 YMTZXZXMAUOUSU-UHFFFAOYSA-N 215.296 2.958 0 40 BFAB Cc1ccc2nccc(C(=O)N3CC=CC3)c2c1 20211840 XUJPQEAMCFEKOH-UHFFFAOYSA-N 238.290 2.555 0 40 BFAB c1cc(-c2cncnc2)cc(-c2cc[nH]n2)c1 23478638 SRMCCTXOPCVWNT-UHFFFAOYSA-N 222.251 2.534 0 40 BFAB C[C@@H](NC(=O)[C@@H]1CC=CCC1)c1ccccn1 28780638 FCBQPQAKQOKQMW-VXGBXAGGSA-N 230.311 2.615 0 40 BFAB c1csc(-c2n[nH]cc2CNCC2CC2)c1 30662370 CIZRAFOBRJREGF-UHFFFAOYSA-N 233.340 2.638 0 40 BFAB Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cn1 32903803 KHAILMGSZQWCER-QWRGUYRKSA-N 232.327 2.508 0 40 BFAB C=CC(=O)N1c2ccccc2CC[C@H]1C 36334161 FQDROPXHIRKSLC-SNVBAGLBSA-N 201.269 2.540 0 40 BFAB Cc1cc([C@@H](C)NCc2c[nH]nc2C)c(C)o1 38011293 QNBCTMCWBLNIDD-SNVBAGLBSA-N 233.315 2.779 0 40 BFAB CC[C@@H]1c2ccsc2CCN1C(=O)C1CC1 40467700 LWWGJDQTSHLWIN-LLVKDONJSA-N 235.352 2.994 0 40 BFAB COc1ccc(C(=O)O)c(OCCC(C)C)c1 42288287 FNPAGFSEEAPODB-UHFFFAOYSA-N 238.283 2.818 0 40 BFAB in-vitro CCCC(=O)CC(=O)c1cccc(F)c1 42413567 VBLSDUHYCSYBPL-UHFFFAOYSA-N 208.232 2.768 0 40 BFAB NC(=O)c1ccc2oc(-c3ccccc3)nc2c1 45920167 YVGVCSOTPIRIFW-UHFFFAOYSA-N 238.246 2.594 0 40 BFAB CN(CCCO)Cc1csc2ccccc12 51853498 NZNKFPLZLIBLIQ-UHFFFAOYSA-N 235.352 2.716 0 40 BFAB CC(C)[C@@H](C)NC(=O)Cc1ccccc1F 57160060 PWLUQKACKVMIDY-SNVBAGLBSA-N 223.291 2.529 0 40 BFAB CCC(=O)NCC1(c2ccc(F)cc2)CCC1 58277601 KFNUQNGQBIFLQZ-UHFFFAOYSA-N 235.302 2.774 0 40 BFAB CCC(=O)NCCOc1ccc(C(C)(C)C)cc1 60675956 OOTWKPALKKZGDZ-UHFFFAOYSA-N 249.354 2.889 0 40 BFAB O[C@@H]1CCCOc2c(Br)cccc21 62620983 KNGPVHHOPCBJRP-SECBINFHSA-N 243.100 2.655 0 40 BFAB C[C@H](O)[C@@H](C)c1nc2ccccc2s1 63039736 IPIQXWOAAIBYKG-SFYZADRCSA-N 207.298 2.781 0 40 BFAB in-vitro N=C(NCc1ccccc1)NCC1CCCCC1 66242405 ATZKTMAICFRUKO-UHFFFAOYSA-N 245.370 2.881 0 40 BFAB Cc1cnn([C@H](C)[C@@H](C)NCc2ccc(C)o2)c1 69458455 HODTVNSSNNEETQ-CHWSQXEVSA-N 247.342 2.832 0 40 BFAB CCCC[C@H]1CCC[C@H]1NC(=O)NCC 69721587 WGMJPGNUFBEONY-WDEREUQCSA-N 212.337 2.664 0 40 BFAB Cc1noc(C)c1CN1CCC[C@H](C)C1 69874596 FXLUKBYNBZOQKP-VIFPVBQESA-N 208.305 2.523 0 40 BFAB CCOCCC(=O)NC[C@@H](C)c1ccc(C)cc1 71915298 BSTWGBGXHHCEQQ-CYBMUJFWSA-N 249.354 2.641 0 40 BFAB CC[C@H](O)c1ccc(Br)nc1C 72223998 IVGVHHOYJVFNTQ-QMMMGPOBSA-N 230.105 2.596 0 40 BFAB Cc1ccc(-c2ccc(C(=O)O)o2)c(N)c1 73640292 SJFYRWAWGSGDDZ-UHFFFAOYSA-N 217.224 2.535 0 40 BFAB CN(CC(=O)O)Cc1cccc(Cl)c1Cl 77253460 KEEPHYKWHVPMMI-UHFFFAOYSA-N 248.109 2.510 0 40 BFAB Cc1ccsc1-c1nc(-c2cnn(C)c2)no1 78774338 VWJWGMLQWNOPJK-UHFFFAOYSA-N 246.295 2.507 0 40 BFAB OCc1cc2cccc(Br)c2o1 83819548 ADKOPYYFYXNNCS-UHFFFAOYSA-N 227.057 2.688 0 40 BFAB Fc1cccnc1N1CCOc2ccccc2C1 84484599 ZXBMFNVGEOSULK-UHFFFAOYSA-N 244.269 2.620 0 40 BFAB Cc1nc(Cl)cc(Nc2ccc(CO)cc2)n1 95446176 HJPYRDAVDUMMAR-UHFFFAOYSA-N 249.701 2.674 0 40 BFAB CCOC(=O)c1c(C(F)(F)F)coc1C 95627307 RQRLSFQHDQTZEF-UHFFFAOYSA-N 222.162 2.784 0 40 BFAB C[C@@](O)(c1cc(F)c(F)c(F)c1)C1CC1 96543336 HZOCMZXKTMSDRO-NSHDSACASA-N 216.202 2.721 0 40 BFAB C[C@@H](C[S@@](C)=O)N(C)CC1CCCCCC1 97161729 MHAFJMQSUSNTMC-LRDDRELGSA-N 245.432 2.656 0 40 BFAB CC(C)n1cnc2nc(Cl)nc(Cl)c21 169514594 BMKLSAIGMUTOQX-UHFFFAOYSA-N 231.086 2.714 0 40 BFAB O=C1C[C@H](c2ccncc2)Nc2ccccc21 169974676 MFUZEVGFXWXTGL-CYBMUJFWSA-N 224.263 2.821 0 40 BFAB Cc1ccc(CN2CCN[C@@H]3CCCC[C@@H]32)cc1 225712050 VHXZCDVILTXYHM-CVEARBPZSA-N 244.382 2.711 0 40 BFAB COC(=O)c1ccc2onc(C(C)(C)C)c2c1 228933903 RZPARYBGVAGVQC-UHFFFAOYSA-N 233.267 2.912 0 40 BFAB CC(F)(F)c1ccc(Br)cn1 238207604 ZYNXBMCRNNKASB-UHFFFAOYSA-N 222.032 2.956 0 40 BFAB C[C@H]1CCCCN1c1ncc(Cl)cn1 253472185 JZRACGGHJRLENM-QMMMGPOBSA-N 211.696 2.509 0 40 BFAB O=C(O)C[C@H]1COc2c1ccc1ccccc21 585656392 SKLDOUZOOMQVMI-JTQLQIEISA-N 228.247 2.791 0 40 BFAB Clc1ccc(CSC2=NCCCN2)cc1 144269 YBFRGUQODLQHAT-UHFFFAOYSA-N 240.759 2.923 0 40 BFAB Cc1ccc(C(C)C)cc1OCC(=O)O 265711 OWRFHSFWUCJFQE-UHFFFAOYSA-N 208.257 2.582 0 40 BFAB in-vitro CCOC(=O)CC[C@]1(C)OCC(C)(C)[C@@H](C)O1 1667404 BXJLGLKPKQSHGT-ZWNOBZJWSA-N 244.331 2.507 0 40 BFAB Cc1ccc(C(=O)c2ccc(N)cc2)cc1 1691165 RKCNDECTECXHCB-UHFFFAOYSA-N 211.264 2.808 0 40 BFAB N=C(N)c1cccc(OCc2ccccc2)c1 1749231 UXYDJDLVMMJKHF-UHFFFAOYSA-N 226.279 2.550 0 40 BFAB in-vitro CC[C@@H](C)NC(=O)/C=C/c1ccc(OC)cc1 3158853 ZQFKSKGWRUVUNX-PFEDMVJOSA-N 233.311 2.623 0 40 BFAB COCCn1c(-c2ccccc2C)n[nH]c1=S 4993931 HONQSCMTKRVLCS-UHFFFAOYSA-N 249.339 2.563 0 40 BFAB Cc1ccc(NC(=O)Nc2ncccc2O)cc1 6275999 RBKMIJYJWCHYNL-UHFFFAOYSA-N 243.266 2.740 0 40 BFAB O=Cc1cccn1-c1cc(Cl)ccc1O 8701941 NWHBWMCOJDJSPX-UHFFFAOYSA-N 221.643 2.649 0 40 BFAB Cc1ccc(NC(C)(C)C(=O)O)cc1C 8702864 IFVSSMIWKWZRBJ-UHFFFAOYSA-N 207.273 2.579 0 40 BFAB C[C@@H]1CCCCN1Cc1cccc(C(=O)O)c1 8730769 WXELLIXLFHYVQA-LLVKDONJSA-N 233.311 2.759 0 40 BFAB CC(C)NCc1cccc(Br)c1 10435904 DSUQYYCFSZHYJB-UHFFFAOYSA-N 228.133 2.947 0 40 BFAB in-vitro Cc1cc(C)nc(Oc2cccc(C(=O)O)c2)n1 11849358 ADWNZYOLLNWXOU-UHFFFAOYSA-N 244.250 2.584 0 40 BFAB CCOc1ccc(C(=O)N(CC)CC)cc1C 13582364 QJXJBEBGTSIRIR-UHFFFAOYSA-N 235.327 2.876 0 40 BFAB Cn1nc(N)c2c(Oc3ccccc3)cccc21 15020405 WRWPMLQRWYBBLY-UHFFFAOYSA-N 239.278 2.948 0 40 BFAB CCCc1nc(-c2ccc(OC)cc2)no1 19907303 PPWOUOASEHENLU-UHFFFAOYSA-N 218.256 2.698 0 40 BFAB Cc1cc(O[C@@H](C)C(=O)O)cc(C(C)C)c1 21952279 DLYAUKNSQGGWSV-JTQLQIEISA-N 222.284 2.970 0 40 BFAB COCCSc1nc(-c2ccc(C)cc2)n[nH]1 26197480 IXOSDLWLCHWIRN-UHFFFAOYSA-N 249.339 2.519 0 40 BFAB CCN(CC)C(=O)[C@@H]1Cc2ccccc2S1 32876671 CWZMRCWDTQDJCD-LBPRGKRZSA-N 235.352 2.572 0 40 BFAB Nc1nc(-c2ccco2)[nH]c1-c1ccccc1 33435920 GXCPXDUFQRRASX-UHFFFAOYSA-N 225.251 2.919 0 40 BFAB Nc1nn(Cc2ccccc2)c2ccccc12 39213668 NNBTZGUVZNEQQX-UHFFFAOYSA-N 223.279 2.667 0 40 BFAB CC(C)(C)c1cc(C(=O)O)cc(Cl)n1 40175391 KFSUWIKTBQSUJX-UHFFFAOYSA-N 213.664 2.731 0 40 BFAB in-vitro C[C@H]1CCCC[C@H]1NC(=O)Nc1nccs1 42738137 NCQOCTSLTFRBEN-DTWKUNHWSA-N 239.344 2.843 0 40 BFAB Cc1cccnc1C(=O)c1c(F)cccc1F 45028691 KNWDRGVQNOEQFV-UHFFFAOYSA-N 233.217 2.899 0 40 BFAB CNC[C@H]1C[C@H]1c1cccc(Br)c1 54588630 ROLXHRUBVTTXBY-KOLCDFICSA-N 240.144 2.772 0 40 BFAB COCC(=O)c1cccc(Cl)c1Cl 55199997 SXWPTKUUFMWIPZ-UHFFFAOYSA-N 219.067 2.823 0 40 BFAB CCC[C@H](OC)c1ccc(CC(=O)O)cc1 72220143 CUDWDKOIRYMNLM-LBPRGKRZSA-N 222.284 2.801 0 40 BFAB Cc1cc2nc(Cl)nc(Cl)c2[nH]1 73737830 WXFDPWLIEMUJRE-UHFFFAOYSA-N 202.044 2.573 0 40 BFAB in-vitro C[C@H]1CCCN(C(=O)c2cccc(N(C)C)c2)C1 74933100 HFMBNAUEMJPLTO-LBPRGKRZSA-N 246.354 2.625 0 40 BFAB CCCN(CC(=O)O)c1ccc(C)cc1C 76610614 HBUHIYFPXUXNHE-UHFFFAOYSA-N 221.300 2.604 0 40 BFAB c1ccc(N2CC[C@@H]3CCCC[C@@H]32)nc1 80972557 ZCFZTNRSWIDGOO-RYUDHWBXSA-N 202.301 2.851 0 40 BFAB CC(=O)c1ccc2c(c1O)CCC(C)(C)O2 82288500 KKHWUQCBMJLSMW-UHFFFAOYSA-N 220.268 2.698 0 40 BFAB C[C@H]1CC(NCc2ccncc2)C[C@H](C)C1 82829214 AYCLKBUTGXMYML-VXGBXAGGSA-N 218.344 2.996 0 40 BFAB CCCCCC[C@H](C)NC(=O)N1CCC1 84743065 WHUYWFTTXMXOFS-NSHDSACASA-N 212.337 2.761 0 40 BFAB Cn1c(N)c2c3c(cccc31)C(=O)c1ccccc1-2 85409596 SKQPEBWCUZXWRT-UHFFFAOYSA-N 248.285 2.972 0 40 BFAB CC(=O)N(Cc1ccoc1)C1CCCCC1 89930371 XVBGBDBIILMYBI-UHFFFAOYSA-N 221.300 2.961 0 40 BFAB CC(C)(C)CNc1cccc(N2CCOCC2)c1 95428572 RGFKMNIKYOKTMM-UHFFFAOYSA-N 248.370 2.981 0 40 BFAB CC(C)CCOc1cc(F)cc(CO)c1 95739740 SJIAQBWSFPJKHL-UHFFFAOYSA-N 212.264 2.743 0 40 BFAB CCc1cccnc1NCc1cccc(O)c1 95973201 BOSMNSVBWFGLNI-UHFFFAOYSA-N 228.295 2.962 0 40 BFAB CC1=CC[C@@H]2CO[C@@H](CN3CCCCC3)[C@@H]1C2 100291494 JFVBLVUPDVJWIA-ZNMIVQPWSA-N 235.371 2.844 0 40 BFAB c1c2c(nn1C1CCCCC1)C[C@H]1CC[C@H]2N1 110751100 CBVOHBYKQNAULQ-ZWNOBZJWSA-N 231.343 2.738 0 40 BFAB CCOc1cc(F)c(Br)cc1OC 142248413 XPAGJNILFJSAKM-UHFFFAOYSA-N 249.079 2.996 0 40 BFAB in-vitro CCCC(=O)Nc1cc(C)c2nc(N)sc2c1 226308617 IUPHICNQVRQAEC-UHFFFAOYSA-N 249.339 2.926 0 40 BFAB Cc1cncc(O[C@@H]2CCc3ccccc32)n1 585651138 KWEWFQGYZDDGNC-CYBMUJFWSA-N 226.279 2.851 0 40 BFAB CN(C)c1cccc(C(=O)N2C3CCC2CC3)c1 628842840 BCSGFWRDRRTASC-UHFFFAOYSA-N 244.338 2.520 0 40 BFAB CCc1c[nH]c2ccc(SC)cc2c1=O 685938021 GXXMQUKQLHQCHM-UHFFFAOYSA-N 219.309 2.812 0 40 BFAB CCc1nc2sc3c(c2c(=O)o1)CCCC3 186152 BCRHIPFAMYTUKC-UHFFFAOYSA-N 235.308 2.691 0 40 BFAB COc1ccccc1C(=O)N[C@H](C)CC(C)C 364085 YNURKCXEQAQIRE-LLVKDONJSA-N 235.327 2.860 0 40 BFAB CCOC(=O)C(=O)Nc1c(C)cccc1C(C)C 1618408 CZZWDUYKGAXRCO-UHFFFAOYSA-N 249.310 2.620 0 40 BFAB Cc1ccccc1C1=[N+]([O-])c2ccccc2C1=O 1618478 FVLUSWMJOXATHL-UHFFFAOYSA-N 237.258 2.822 0 40 BFAB CCCC(=O)OCCCOc1ccccc1 1696888 WYRZAORGSPFDGF-UHFFFAOYSA-N 222.284 2.799 0 40 BFAB CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](SCCO)C2 2126545 AGZBMLIJEPVRHP-SCVCMEIPSA-N 214.374 2.927 0 40 BFAB CC[C@@H](C)c1ccc(NC(N)=S)cc1 3322185 WTXSUXUHTUONPP-MRVPVSSYSA-N 208.330 2.856 0 40 BFAB in-vitro COc1ccc2nc(C3CC3)cc(C(=O)O)c2c1 3757687 NMVCLMGYUWYUDB-UHFFFAOYSA-N 243.262 2.819 0 40 BFAB CC(C)(C)C(=O)CSC(=S)N1CCCC1 6823388 WQBRLYPNUMQNMS-UHFFFAOYSA-N 245.413 2.716 0 40 BFAB C[C@@H](OC(=O)c1cccn1C)c1ccccc1 9057960 CTYLXWOOPDQEED-LLVKDONJSA-N 229.279 2.943 0 40 BFAB O=C1N[C@@H](c2cccc(F)c2)Nc2ccccc21 9378736 XSKYLOSGIZCDLK-ZDUSSCGKSA-N 242.253 2.680 0 40 BFAB COc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 12410473 YXADNHMHAQGLNJ-TXEJJXNPSA-N 247.338 2.813 0 40 BFAB Cc1cc(NC(=O)/C=C/c2ccccc2)on1 13596667 MYNRKJZMACJTPK-BQYQJAHWSA-N 228.251 2.635 0 40 BFAB C[C@@H]1CCCCN1Cc1ccccc1CN 21952182 RNFKVHRDFQMOCR-GFCCVEGCSA-N 218.344 2.520 0 40 BFAB in-vitro CCCOC(=O)c1cc2ccccc2[nH]1 32668029 MZWKEVABVGDUFJ-UHFFFAOYSA-N 203.241 2.735 0 40 BFAB OCCNCc1ccc(Oc2ccccc2)cc1 33434905 PEPGNLVWWRYZTK-UHFFFAOYSA-N 243.306 2.561 0 40 BFAB CN[C@@H](C)Cc1cccc(C(F)(F)F)c1 33826147 WAUORSZPKUHOSM-QMMMGPOBSA-N 217.234 2.856 0 40 BFAB CC1CCN([C@@H](CN)c2ccc(F)cc2)CC1 38827615 IOUBGTKBRCAZCQ-AWEZNQCLSA-N 236.334 2.557 0 40 BFAB COC(=O)c1ccc(Oc2ccccc2)c(N)c1 40449043 DLSFAHCVNTZNFC-UHFFFAOYSA-N 243.262 2.848 0 40 BFAB COc1ccccc1C[C@@H]1CCCC1=O 41212674 MLAXLJRAOMDRJC-JTQLQIEISA-N 204.269 2.607 0 40 BFAB in-vitro CC(C)CN(CC(C)C)C[C@H](N)C(C)C 42034640 OQOVPWBVFCWSIJ-ZDUSSCGKSA-N 214.397 2.584 0 40 BFAB CCCc1ccc(O[C@@H]2CCCNC2)cc1 42782877 GDQIWIGCLNZZLX-CQSZACIVSA-N 219.328 2.770 0 40 BFAB CCCc1nc(C)c(C(=O)NC(C)C)s1 42791408 MBLFNEHZFUHJFN-UHFFFAOYSA-N 226.345 2.542 0 40 BFAB CC(=O)Sc1nc(C)c2ccccc2n1 59431803 VJWUVXPEJJUKJB-UHFFFAOYSA-N 218.281 2.577 0 40 BFAB C[C@H]1C[C@@H]1c1ccc(CCC(=O)N(C)C2CC2)o1 65516647 JSBSTHQIWUGXDZ-GWCFXTLKSA-N 247.338 2.956 0 40 BFAB CC1(CNC(=O)NC2CCCC2)CCCC1 66595133 DYAPRODSFQDZBW-UHFFFAOYSA-N 224.348 2.809 0 40 BFAB C[C@@H](CC(C)(C)NC(=O)O)c1ccc(O)cc1 71621720 ANSMHXIZDOWIBA-VIFPVBQESA-N 237.299 2.932 0 40 BFAB CC(C)(C)OC(=O)NCc1ccc(=S)[nH]c1 72225670 FAMJEPHYYIZVGP-UHFFFAOYSA-N 240.328 2.769 0 40 BFAB Cc1cc(O)cc([C@H]2CCCN2C(C)C)n1 72348463 ZUPSZNYRCMPOFG-CYBMUJFWSA-N 220.316 2.641 0 40 BFAB CCOC(=O)CC(=O)c1ccc(Cl)c(C)c1 76818884 NLNIHMALRXPEQB-UHFFFAOYSA-N 240.686 2.784 0 40 BFAB CC(C)(C)n1cc(NCc2ccncc2)cn1 90198544 JOIMZSGPSSCZLY-UHFFFAOYSA-N 230.315 2.645 0 40 BFAB CC(C)(C)c1cc2c(cc1N)OC(=O)C2(C)C 91301856 UVSSESLOSCZNRP-UHFFFAOYSA-N 233.311 2.763 0 40 BFAB CCc1nccn1CCOc1cccc(OC)c1 95441075 CUJLGOKKRWRQQC-UHFFFAOYSA-N 246.310 2.533 0 40 BFAB Cc1ccc(NC2=CSC3=NCCN23)c(C)c1 104987673 SHTMAJQEOOXSHS-UHFFFAOYSA-N 245.351 2.933 0 40 BFAB COc1c(F)cc(F)cc1C(=O)C(C)C 107394283 PSKVIBYHOFGQAQ-UHFFFAOYSA-N 214.211 2.812 0 40 BFAB Cc1ccnc(NN2[C@@H](C)CCC[C@H]2C)c1 116937324 NRXATBCOCMMMEF-TXEJJXNPSA-N 219.332 2.980 0 40 BFAB CC(=O)c1sc2nc(C)c(C)cc2c1N 201935846 UDAKGKHORKBOEK-UHFFFAOYSA-N 220.297 2.698 0 40 BFAB CCn1c(CO)ccc1CCc1ccccc1 226028223 ZZAWPTVXCFYKQY-UHFFFAOYSA-N 229.323 2.786 0 40 BFAB COc1cc(Br)cc([C@H](C)O)c1 238454204 KYINFRISJBDQLQ-LURJTMIESA-N 231.089 2.511 0 40 BFAB Cc1cc(C)nc(N2C[C@@H]3CCCC[C@H]3C2)n1 301526587 GGFUKWPKMCZJDY-STQMWFEESA-N 231.343 2.720 0 40 BFAB Clc1cccnc1OC[C@H]1CCCOC1 585655016 QRYZCLHEJGGZIN-VIFPVBQESA-N 227.691 2.540 0 40 BFAB COc1cccc(Nc2ncnc(C)c2F)c1 1888859546 NQTODNJKIRUACO-UHFFFAOYSA-N 233.246 2.676 0 40 BFAB C[C@H]1Cn2c(nnc2-c2ccc(F)cc2)S1 109254 QWTNNXJLKHZHHG-ZETCQYMHSA-N 235.287 2.578 0 40 BFAB O=C(O)[C@@H](c1ccccc1)C1(O)CCCCC1 1734080 AOHSAQWYEVFRKD-GFCCVEGCSA-N 234.295 2.550 0 40 BFAB CCOP1(=O)OCC(C(C)(C)C)CO1 1735291 UBJXAHZWQODILY-UHFFFAOYSA-N 222.221 2.840 0 40 BFAB COc1ccc2[nH]c(C)c(CN(C)C)c2c1 2572402 PKGMHNFUSKQQBS-UHFFFAOYSA-N 218.300 2.547 0 40 BFAB Cc1ccc([C@]2(O)C[C@@H](C)N(C)C[C@@H]2C)c(C)c1 4142765 BNPBCKRXUQEEPS-LZWOXQAQSA-N 247.382 2.851 0 40 BFAB CC(=O)O[C@@H]1CCSc2ccccc21 4962799 DSAKISLNJIPFJH-SNVBAGLBSA-N 208.282 2.787 0 40 BFAB Fc1cc(F)n2cc(-c3ccccc3)nc2n1 5532260 SBJMXXMYDKADTH-UHFFFAOYSA-N 231.205 2.675 0 40 BFAB CC(C)Oc1ccc(CO)cc1Cl 8727806 MRVXSFWBBUOXAA-UHFFFAOYSA-N 200.665 2.620 0 40 BFAB in-vitro O=C(O)[C@@H](c1ccc(O)cc1)C1CCCC1 8764170 NFQLQXJPZLMDAX-GFCCVEGCSA-N 220.268 2.751 0 40 BFAB O=C(O)/C=C\c1ccc(Oc2ccccc2)nc1 12369109 TWPKEZACBDVQNY-CLFYSBASSA-N 241.246 2.972 0 40 BFAB C[C@H]1C[C@H](N)CC[C@H]1C[C@H]1CC[C@@H](N)C[C@H]1C 16608448 NTGJOYPFNABNES-ARSDKDGVSA-N 238.419 2.904 0 40 BFAB Cc1ccc([C@H]2NCC[C@H]2C(=O)OC(C)C)cc1 22204778 IMFBWCNIUNNYIF-ZIAGYGMSSA-N 247.338 2.597 0 40 BFAB CC(C)Oc1ccc(CC[C@H](C)N)cc1 22210114 KJAYQKCSZPBMRL-NSHDSACASA-N 207.317 2.754 0 40 BFAB in-vitro Oc1nc(Cl)nc2c(Cl)cccc12 26899492 KZOUNLZLYUDZPW-UHFFFAOYSA-N 215.039 2.642 0 40 BFAB in-vitro O=[N+]([O-])c1ccc(N/N=C2/C[C@H]3C=CC[C@H]23)cc1 33805560 DWBVNUYMYUVDPD-XZEJSEMASA-N 243.266 2.959 0 40 BFAB N[C@@H]1CCc2[nH]c3ccc(Cl)cc3c2C1 34032183 BODQGEOXSNZRGK-MRVPVSSYSA-N 220.703 2.637 0 40 BFAB in-vitro CNc1c(F)cc(F)cc1Br 36533365 MEGICNYNMGRCIB-UHFFFAOYSA-N 222.032 2.769 0 40 BFAB Nc1ncc(-c2ccncc2)cc1C(F)(F)F 47212442 GMZLZGUUGPIHAY-UHFFFAOYSA-N 239.200 2.745 0 40 BFAB CN(C(=O)Nc1ccccn1)C(C1CC1)C1CC1 51191427 QZGJHKIHNRHENB-UHFFFAOYSA-N 245.326 2.734 0 40 BFAB CCC(=O)NC[C@H](CC)c1ccccc1 60683788 PFOIGHSPUCPDKP-NSHDSACASA-N 205.301 2.706 0 40 BFAB CC(C)c1noc2nc3c(c(C(=O)O)c12)CCC3 62710606 SEDNBBCFPVXOPR-UHFFFAOYSA-N 246.266 2.533 0 40 BFAB CNC[C@@H](OC)c1ccccc1C(F)(F)F 62711523 OEZMRJUEZMFVHF-SNVBAGLBSA-N 233.233 2.612 0 40 BFAB O=C1CCNc2cc(Cl)cc(Cl)c21 66054698 QSOMOMRJCINQER-UHFFFAOYSA-N 216.067 2.992 0 40 BFAB N[C@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1 70501257 GJWFOQIKVTZEPM-UWVGGRQHSA-N 215.300 2.548 0 40 BFAB CC(C)N1CCCC[C@H]1c1cccnc1N 72212437 WNTJVHJPBNJFES-LBPRGKRZSA-N 219.332 2.599 0 40 BFAB O[C@H](c1ccccc1)c1ccc(=S)[nH]c1 72225678 YXSWXXKSOJKWIA-GFCCVEGCSA-N 217.293 2.826 0 40 BFAB CN[C@@H](C)c1ccn(Cc2ccccc2)c1 78405851 QJJXIDJGZBAGIC-LBPRGKRZSA-N 214.312 2.817 0 40 BFAB OCCc1ccc(SC(F)(F)F)cc1 82954996 ONQDUHXEMIAREE-UHFFFAOYSA-N 222.231 2.833 0 40 BFAB NC1(c2cc(F)cc(Br)c2)CC1 84198729 YHHPOPJRBQJZSF-UHFFFAOYSA-N 230.080 2.536 0 40 BFAB COc1cccc(OCc2ccc(C=O)o2)c1 85395360 MNQLFBSVNLATRZ-UHFFFAOYSA-N 232.235 2.680 0 40 BFAB CCOC(=O)/C(Cl)=C/c1ccc(F)cc1 85396909 UUOIWRCRWOTLBU-YFHOEESVSA-N 228.650 2.969 0 40 BFAB CS[C@@H]1CCCC[C@@H]1NC1CC=CC1 95423764 ZDGZZNRXKRGJDS-NWDGAFQWSA-N 211.374 2.969 0 40 BFAB O=C(O)[C@H]1CCNc2c1cccc2C(F)(F)F 96879666 OIMOVIQGZFCFLR-ZETCQYMHSA-N 245.200 2.689 0 40 BFAB CCOC1(OCC)C[C@@H]2[C@@H]3CC[C@H](C3)[C@H]21 101045017 CXXNIJGNUVQONK-DDHJBXDOSA-N 210.317 2.822 0 40 BFAB CCOC(=O)c1ccc2c(c1)C(=O)CC(C)(C)O2 199818578 IRQVLIITEKTWHK-UHFFFAOYSA-N 248.278 2.607 0 40 BFAB Brc1cccc2c1NC[C@@H]1C[C@H]21 225812313 PEEUHBCOALDYJS-XPUUQOCRSA-N 224.101 2.978 0 40 BFAB CCCn1c(Cc2ccco2)ccc1C(=O)OC 226031268 LXNKDKSGKGGOSI-UHFFFAOYSA-N 247.294 2.869 0 40 BFAB CNc1ccc(N2CCCCC2)c(C(=O)OC)c1 226277380 ITYGBNSPPBZPIO-UHFFFAOYSA-N 248.326 2.505 0 40 BFAB COC(=O)c1cnc(Cl)c2sccc12 238330778 OJGCANMGXRDQBG-UHFFFAOYSA-N 227.672 2.736 0 40 BFAB CC[C@H](C)c1ccccc1OC[C@@H](C)O 1640785 OGBFCLDMRJRDJH-WDEREUQCSA-N 208.301 2.960 0 40 BFAB CCCCC(=O)OCCCOC(=O)CCCC 1694354 MXBNLDIQSXLJQE-UHFFFAOYSA-N 244.331 2.843 0 40 BFAB O=C(O)N1CCc2c(sc3ccccc23)C1 1742381 WHVHPGCNJQEWJH-UHFFFAOYSA-N 233.292 2.937 0 40 BFAB Clc1ccc(OC[C@@H]2CO2)c(Cl)c1 2045249 NTMMJCXPHYKNSP-ZETCQYMHSA-N 219.067 2.771 0 40 BFAB Cc1cccc(C(=O)CCCCC(=O)O)c1 2378642 LQABYSMUDKVHCO-UHFFFAOYSA-N 220.268 2.823 0 40 BFAB CNC(=N)COc1ccc(Cl)c(Cl)c1 3163873 YXOHINNIMLRLTN-UHFFFAOYSA-N 233.098 2.569 0 40 BFAB CCn1cc(C(=O)C(F)(F)F)c2cccnc21 4049902 KOQZTNKQWSIZBX-UHFFFAOYSA-N 242.200 2.801 0 40 BFAB COc1ccc(-c2nc(NN)sc2C)cc1C 4293974 NFPHCURMSKEOTE-UHFFFAOYSA-N 249.339 2.721 0 40 BFAB CC[C@@H](C)COC(=O)c1ccccc1O 5922172 LCMNCRZMVCRJNZ-SECBINFHSA-N 208.257 2.595 0 40 BFAB O=C(Nc1nc(-c2ccncc2)cs1)C1CC1 6423482 SONONACZILICNN-UHFFFAOYSA-N 245.307 2.554 0 40 BFAB CC(C)NC(=S)N[C@@H](C)c1ccccc1 7557500 XYDVMDBYMJWSGK-JTQLQIEISA-N 222.357 2.620 0 40 BFAB C[C@H]1CN(c2nc3ccccc3s2)C[C@@H](C)O1 13002886 JSTYBIGJUUNOKH-AOOOYVTPSA-N 248.351 2.910 0 40 BFAB Cc1ccc(F)cc1NC(=O)[C@H](C)n1cccn1 13017140 KHEYQANPQVSFIN-JTQLQIEISA-N 247.273 2.530 0 40 BFAB Fc1cccc(OCC[C@H]2CCCCN2)c1 14632326 NMBDDHVNNABJSB-GFCCVEGCSA-N 223.291 2.737 0 40 BFAB in-vitro C[C@@H](C(=O)c1ccccc1)[C@@H](O)c1ccccn1 15858175 BHXNDOUULLDMJT-XHDPSFHLSA-N 241.290 2.634 0 40 BFAB CCCNC(=O)N[C@@H](C)c1ccc(F)cc1 20538231 JOZCEBMSWIHTFJ-VIFPVBQESA-N 224.279 2.596 0 40 BFAB Cc1noc2ncnc(N[C@H]3CCCC[C@@H]3C)c12 21531588 RIHMUTYAOUZJTM-WPRPVWTQSA-N 246.314 2.917 0 40 BFAB Cc1ccc([C@@H]2NCC[C@H]2C(=O)OC(C)C)cc1 22204780 IMFBWCNIUNNYIF-KGLIPLIRSA-N 247.338 2.597 0 40 BFAB Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1N 22217781 VHAPCOSHZCMPRJ-QWRGUYRKSA-N 246.354 2.695 0 40 BFAB N[C@@]1(C(=O)O)CCCCC[C@H]1c1ccccc1 26894883 HOMJXBBZJQKYIN-JSGCOSHPSA-N 233.311 2.516 0 40 BFAB CCCCCc1nc2ccccc2c(=O)[nH]1 32167140 ZFDMQFNZNRCSQN-UHFFFAOYSA-N 216.284 2.656 0 40 BFAB O=C(CCc1ccsc1)NC1CCCC1 32722019 NXINVXKIOPYUKB-UHFFFAOYSA-N 223.341 2.740 0 40 BFAB CSCC(=O)N1CCC[C@@H]1c1ccccc1 32904121 NBGYNUYTVICHBA-GFCCVEGCSA-N 235.352 2.713 0 40 BFAB Oc1ccccc1[C@H](O)Cc1ccccc1 34069196 OQOCSCWMMZVDHS-CQSZACIVSA-N 214.264 2.668 0 40 BFAB CCN[C@@H](CC)c1ccc(OC)cc1OC 35546005 DJFYWLOYHFPNJQ-LBPRGKRZSA-N 223.316 2.764 0 40 BFAB CCn1cc(NCCc2ccccc2)cn1 35780891 PMCJORDFFPULEN-UHFFFAOYSA-N 215.300 2.558 0 40 BFAB Cc1nc(C)c(C=O)c(C)c1Br 36452104 FONWKWOBUGLFBH-UHFFFAOYSA-N 228.089 2.582 0 40 BFAB CSc1nnc(-c2ccco2)n1CC(C)C 40456786 VBFIHXFJECTNHX-UHFFFAOYSA-N 237.328 2.916 0 40 BFAB Cc1ccccc1NC(=O)c1cscn1 41506692 XCADSNKPBHZWGC-UHFFFAOYSA-N 218.281 2.704 0 40 BFAB Cc1ccc(N)cc1-c1ccc(C(=O)O)o1 57351217 OFDZBOBLYHSYAY-UHFFFAOYSA-N 217.224 2.535 0 40 BFAB CC(C)NC(=O)Nc1cccc2c1ccn2C 69966890 FJIWDODZGDQDKI-UHFFFAOYSA-N 231.299 2.708 0 40 BFAB O=C(O)c1nc(-c2ccccc2Cl)ns1 82327349 PBRPWAJKSGBFOK-UHFFFAOYSA-N 240.671 2.557 0 40 BFAB O=C(O)C1(c2ccc(F)c(F)c2)CCCC1 83049132 SVABUNFHZZCKJR-UHFFFAOYSA-N 226.222 2.861 0 40 BFAB COc1ccc(OC)c(CNc2cc(C)on2)c1 83378382 QCQGTFIEJDCAMB-UHFFFAOYSA-N 248.282 2.612 0 40 BFAB C[C@H](Oc1ccccc1N)C(F)(F)F 85421140 IAJZFSCHMAQIEK-LURJTMIESA-N 205.179 2.598 0 40 BFAB in-vitro CNCc1cccn1Cc1ccccc1C 85582863 BIGITGUFJKWALN-UHFFFAOYSA-N 214.312 2.564 0 40 BFAB Cc1cnc(Cl)nc1SC(C)C 85788701 CHBGYWRMFYQDAI-UHFFFAOYSA-N 202.710 2.939 0 40 BFAB Cc1cscc1C(=O)N1C[C@H]2CCC[C@H]2C1 89708882 AYPOOWFLIWYPRZ-PHIMTYICSA-N 235.352 2.929 0 40 BFAB O=C(c1cc(F)cc(F)c1)C(F)(F)Cl 95916699 DXDGNXSYRJSUMJ-UHFFFAOYSA-N 226.556 2.979 0 40 BFAB CCc1noc([C@@H](C)N[C@H](C)c2ccc(C)o2)n1 97374011 JAAUNIKRWSKLFV-NXEZZACHSA-N 249.314 2.945 0 40 BFAB CCCn1c(=N)sc2cccc(F)c21 100968688 LAWGYZXPTJDWBQ-UHFFFAOYSA-N 210.277 2.731 0 40 BFAB C[C@H]1CCCN([C@H](CN)c2cccc(F)c2)C1 108018407 AQJWATPQMKGMEX-SMDDNHRTSA-N 236.334 2.557 0 40 BFAB Fc1cccc([C@@H]2CCCN2Cc2ncc[nH]2)c1 111204260 ZTSWYGRANZVTHL-ZDUSSCGKSA-N 245.301 2.886 0 40 BFAB C[C@@]12CC3(N)CC(CC(=O)O)(C1)C[C@](C)(C3)C2 113686541 QDLJANKMNQSDJS-VTXSZYRJSA-N 237.343 2.539 0 40 BFAB Cc1csc([C@H](C)OC(=O)c2cccnc2)n1 195572021 CTIZZKVBXMYOFC-VIFPVBQESA-N 248.307 2.765 0 40 BFAB Nc1cc2c(Br)ccc(F)c2cn1 199795619 FEXYTCYZUVXRNB-UHFFFAOYSA-N 241.063 2.719 0 40 BFAB CC(C)n1cc(NCc2ccnn2C(C)C)cn1 256054983 YQARELJQVWJWHY-UHFFFAOYSA-N 247.346 2.854 0 40 BFAB CC(C)(C)CC(C)(C)NC1CSC1 308166280 XTJNLTDLQHOUEU-UHFFFAOYSA-N 201.379 2.906 0 40 BFAB NNc1cccc(/C=C/c2ccccc2)cc1=O 1662626 SUNOPNYHLKRKHR-MDZDMXLPSA-N 238.290 2.503 0 40 BFAB CN(C=O)c1ccccc1OCc1ccccc1 1705715 GAWJDYPQPRCJMS-UHFFFAOYSA-N 241.290 2.858 0 40 BFAB CN(C)C[C@H](O)c1ccc2c3c(cccc13)CC2 1730924 RSCBPVHDUDQYCP-HNNXBMFYSA-N 241.334 2.533 0 40 BFAB CC(C)(C)CC(=O)Nc1nnc(C2CC2)s1 2726349 WNMNABPDSICVNR-UHFFFAOYSA-N 239.344 2.790 0 40 BFAB Cc1ccc(C(=O)NCc2cccs2)cc1 3557903 DQCDIMZDANGPIK-UHFFFAOYSA-N 231.320 2.987 0 40 BFAB CC1=CO[C@](C)([C@@H]2NC(C)(C)C[C@H](C)O2)CC1 4705824 VRXXEZCAJXPBHD-SCRDCRAPSA-N 239.359 2.962 0 40 BFAB CC(C)O[P@@](=O)(O)Oc1ccccc1 5760930 WRXFONORSZHETC-UHFFFAOYSA-N 216.173 2.591 0 40 BFAB in-vitro COC(=O)[C@@H](OC)c1ccc2ccccc2c1 6385519 XWWLSMSDYNKMIM-ZDUSSCGKSA-N 230.263 2.700 0 40 BFAB CCNCC(=O)Nc1c(Cl)cccc1Cl 8324310 PZPIDXMKFAAVIT-UHFFFAOYSA-N 247.125 2.541 0 40 BFAB CC[C@H](Nc1ccccc1SC)C(=O)O 8702755 HIIANAHOZZGKHI-QMMMGPOBSA-N 225.313 2.684 0 40 BFAB O=C(Cc1ccc(F)cc1)Nc1ccccc1O 9478198 ZHAZKYLQQQOSJZ-UHFFFAOYSA-N 245.253 2.713 0 40 BFAB COc1cc(C)c2c(OC)ccc(OC)c2n1 13283031 HDPXPRUSNDOEAU-UHFFFAOYSA-N 233.267 2.569 0 40 BFAB CCC[C@@H](C)NC(=O)COc1ccc(C)c(C)c1 14397594 HGBGYBOJWNPANV-CYBMUJFWSA-N 249.354 2.987 0 40 BFAB C[C@H]1CCC[C@@H](C)N1NC(=O)c1ccccc1 16608929 VZVLPRGJSSZVAB-TXEJJXNPSA-N 232.327 2.594 0 40 BFAB Cc1cc(=O)c2cccc(OC(F)(F)F)c2[nH]1 19722004 NDRCMDPNVZOOOD-UHFFFAOYSA-N 243.184 2.735 0 40 BFAB O=C(O)c1c(Cl)cccc1OCC1CC1 20080313 KWVJTEJRHBSDCH-UHFFFAOYSA-N 226.659 2.827 0 40 BFAB Nc1nc(Cl)ccc1-c1ccccc1 21299935 NOGZPCDWPPVALQ-UHFFFAOYSA-N 204.660 2.984 0 40 BFAB Cc1ccc(C(=O)NC(C2CC2)C2CC2)cc1 22534265 OWLZIFAZXVYYFR-UHFFFAOYSA-N 229.323 2.913 0 40 BFAB C[C@@H]1C[C@H]1C(=O)NC12CC3CC(CC(C3)C1)C2 23584071 KEDJQFLLRPRICD-QWRRMZHUSA-N 233.355 2.727 0 40 BFAB COc1cc(OC)c2snc(Cl)c2c1 33359425 CNPMNTAOWGNMLB-UHFFFAOYSA-N 229.688 2.967 0 40 BFAB COc1cc(OCc2ccccc2)ccc1N 34626505 BWRPCILRQOKISU-UHFFFAOYSA-N 229.279 2.856 0 40 BFAB CCCN(CCC)CC[C@H]1CCCCN1 34972533 OMOJDXHBJLPQIJ-CYBMUJFWSA-N 212.381 2.641 0 40 BFAB Cc1cc(C)cc(-n2cc(C=O)c(C)n2)c1 35778485 SLAUPNWDBVVKAO-UHFFFAOYSA-N 214.268 2.610 0 40 BFAB CCOC(=O)c1[nH]ccc1-c1ccccc1 36438966 CABKYOUETSTTNE-UHFFFAOYSA-N 215.252 2.858 0 40 BFAB O=C(O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 37380878 IBXCFDILOTYDLI-DTWKUNHWSA-N 230.185 2.894 0 40 BFAB C[C@@H](Cc1ccccc1Br)C(=O)O 37462538 INYSKYAJTGOPPI-ZETCQYMHSA-N 243.100 2.712 0 40 BFAB CCCN(CC(=O)O)c1ccc(Cl)cc1 37474534 XRHNNBAYEDHJFF-UHFFFAOYSA-N 227.691 2.641 0 40 BFAB C[C@H](C(=O)O)c1ccc(C(F)(F)F)cc1 38417314 RSLAPCSAZMQDSO-LURJTMIESA-N 218.174 2.894 0 40 BFAB in-vitro Cc1ccc(C(=O)OCc2ccccc2)cc1N 40418926 FIWXSEYAIIFGDR-UHFFFAOYSA-N 241.290 2.934 0 40 BFAB CC(C)C(=O)NC1(c2ccc(F)cc2)CC1 41534386 VAYUYRZMALVQEB-UHFFFAOYSA-N 221.275 2.587 0 40 BFAB COc1cc(N)cc(Cl)c1N1CCCC1 45886430 BNTPESVYOCSFPV-UHFFFAOYSA-N 226.707 2.531 0 40 BFAB CCCC(CCC)N[C@H]1CCCC[C@@H]1O 51992836 GHRWONMLMRHEQT-STQMWFEESA-N 213.365 2.848 0 40 BFAB CC[C@H](CN)Cc1ccc(Br)cc1 52947313 PNEMHRYMQMKKCA-VIFPVBQESA-N 242.160 2.977 0 40 BFAB CC(C)(CC(=O)O)c1c[nH]c2ccccc12 57348881 RTAFEYNWSLMKDA-UHFFFAOYSA-N 217.268 2.920 0 40 BFAB O=C(O)[C@H](Cc1ccccc1O)c1ccccc1 58001472 PCFIJEDQRIUOAT-CYBMUJFWSA-N 242.274 2.803 0 40 BFAB O=C(NC1CC1)N(Cc1ccco1)C1CCCC1 58160058 PCGYSMCZWXGRIJ-UHFFFAOYSA-N 248.326 2.896 0 40 BFAB CCCC(C)(C)NC(=O)c1cnc(C)s1 65403745 DFZFJULNZIFYFR-UHFFFAOYSA-N 226.345 2.760 0 40 BFAB ClC(Cl)(Cl)c1nc(C2CC2)no1 68589768 SYAXSFYIZNYGPJ-UHFFFAOYSA-N 227.478 2.774 0 40 BFAB in-vitro O=S(=O)(O)c1c(Cl)ccc2ccccc12 71256829 OUNFHIFSLHEIPK-UHFFFAOYSA-N 242.683 2.740 0 40 BFAB CCN1CCC[C@@H]1c1ccc(N2CCCC2)nc1 72215913 IFEKFTISBAILNF-CQSZACIVSA-N 245.370 2.839 0 40 BFAB Cc1cc(CN(C)OCc2ccccc2)no1 95435066 RXHJIWLTAQOTHU-UHFFFAOYSA-N 232.283 2.547 0 40 BFAB Cc1nc(N)sc1-c1ccnc(C2CC2)c1 95629712 RKFYTIMKELESJC-UHFFFAOYSA-N 231.324 2.973 0 40 BFAB Fc1ccc(CCN[C@H]2CCSC2)c(F)c1 95967922 RMMZPHSPGHDRAI-NSHDSACASA-N 243.322 2.602 0 40 BFAB O=C(Cc1ccccc1F)N[C@H]1C[C@@H]2CC[C@@H]1C2 103989663 LNVLCHAPFHZPGA-QKCSRTOESA-N 247.313 2.673 0 40 BFAB CC(=O)Oc1ccc(C(=O)C(C)(C)C)cc1 149933068 VBQQAMBPLSHDHN-UHFFFAOYSA-N 220.268 2.841 0 40 BFAB CC1=CCC[C@@H](C)[C@@H]1CN[C@@H](C)CCCO 152623109 IIYKRXGZKIPFKQ-HZSPNIEDSA-N 225.376 2.729 0 40 BFAB O=C(O)[C@H]1C[C@H]1c1ccc(Cl)cc1F 162776582 ZXURYKUVEGERFH-YUMQZZPRSA-N 214.623 2.667 0 40 BFAB CCc1ccc2nccc(NCCCN)c2c1 222677810 YWJYSPHPLPKXSJ-UHFFFAOYSA-N 229.327 2.558 0 40 BFAB Cn1cccc1[C@@H]1COCCN1[C@@H]1C=CCCC1 249087369 CGVCALGOFTZFEH-HIFRSBDPSA-N 246.354 2.507 0 40 BFAB CCCN(c1ccc(C)c(C)c1)[C@H](C)C(=O)O 260677465 FZWGWFSZXCWQBQ-GFCCVEGCSA-N 235.327 2.993 0 40 BFAB C/C=C(\F)C(=O)N[C@H]1CCCOc2ccccc21 585141022 NOCJOUWGVCSRJJ-RENATIMJSA-N 249.285 2.890 0 40 BFAB CCOC(=O)CCc1c[nH]c2cc(F)ccc12 1857793219 MVUBQVFZCYVPJA-UHFFFAOYSA-N 235.258 2.803 0 40 BFAB Cc1ccc(C(=O)Nc2ccc(C)cn2)cc1 361714 NBFFPKCKCRTTRE-UHFFFAOYSA-N 226.279 2.951 0 40 BFAB in-vitro Cn1cnc2sc(-c3ccccc3)cc2c1=O 548983 ZAPYEBHYIXCJPF-UHFFFAOYSA-N 242.303 2.662 0 40 BFAB O=C(O)c1cc(/C=C/c2ccccc2)on1 1694646 CEAMVSIYTWUNCQ-VOTSOKGWSA-N 215.208 2.543 0 40 BFAB Clc1nnc2c3ccccc3ccn12 1701620 RAODSHJLXPOCGT-UHFFFAOYSA-N 203.632 2.536 0 40 BFAB Oc1ccccc1OC[C@@H](O)c1ccccc1 3190063 GPCWYPVIFBLEET-CYBMUJFWSA-N 230.263 2.505 0 40 BFAB CN1C(=O)CCSc2ccc(Cl)cc21 4013699 VKUDNFNYYWAVQR-UHFFFAOYSA-N 227.716 2.799 0 40 BFAB O[C@@H](CN1CCCCC1)c1c[nH]c2ccccc12 5277952 IHMSRKHIYWTFAD-HNNXBMFYSA-N 244.338 2.687 0 40 BFAB O=C(NCCCn1ccc2ccccc21)C1CC1 8725926 VVPMTSMQRPUIDD-UHFFFAOYSA-N 242.322 2.558 0 40 BFAB C[C@@H]1C[C@H](O)[C@H]2C=C(Cl)C=C[C@@H]2S1 12857529 CDLMBTLYJNUUMV-PRQTWWFRSA-N 216.733 2.550 0 40 BFAB Fc1ccc(Cl)c(O[C@@H]2CCCNC2)c1 14631843 CIAJXYPDGJUUBY-SECBINFHSA-N 229.682 2.610 0 40 BFAB Cc1nn(C(C)C)c2nc3ccccc3nc12 16266406 XXUJBWQQRCEERS-UHFFFAOYSA-N 226.283 2.869 0 40 BFAB CCc1cccc(Cc2cnc(N)s2)c1 20283819 DMSQZYSBSLYCBT-UHFFFAOYSA-N 218.325 2.879 0 40 BFAB in-vitro Cc1ccccc1-c1nnc([C@@H]2CCCNC2)o1 32101182 NPWWXXUVCXICHK-LLVKDONJSA-N 243.310 2.512 0 40 BFAB CCOC(=O)c1ncoc1-c1ccc(C)cc1 32142359 DGLJLPRCZCJLMW-UHFFFAOYSA-N 231.251 2.827 0 40 BFAB Fc1cccc(CNC2CCCC2)c1F 35054709 ABRAYDIJZYWQCO-UHFFFAOYSA-N 211.255 2.997 0 40 BFAB COc1cc(C(C)=O)cc(C(F)(F)F)c1 38529820 CHTIJVBYTQACDL-UHFFFAOYSA-N 218.174 2.917 0 40 BFAB CCOC(=O)CCN(CC(C)C)CC(C)C 42034251 YDNSGRLUXFTPOZ-UHFFFAOYSA-N 229.364 2.554 0 40 BFAB C[C@H](Cn1cccn1)Nc1nc2ccccc2o1 42338094 MBBVOAXNKDJCSC-SNVBAGLBSA-N 242.282 2.525 0 40 BFAB COc1ccc(NCCCCCO)cc1Cl 49831582 SCCPWCLBKWEQTM-UHFFFAOYSA-N 243.734 2.923 0 40 BFAB COC(=O)CCCC(=O)c1ccc(Cl)s1 49834816 XCDTWDKIKLHGFN-UHFFFAOYSA-N 246.715 2.928 0 40 BFAB CC[C@H](CN)Cc1ccccc1Br 52947295 KTVJZTWDVCFFJW-VIFPVBQESA-N 242.160 2.977 0 40 BFAB CC(C)c1cccc2c(CCO)c[nH]c12 71487238 HCHUBIHXFFFRRA-UHFFFAOYSA-N 203.285 2.826 0 40 BFAB CCCn1nnc2cc(Br)ccc21 72206786 VKACUXHVFASHNB-UHFFFAOYSA-N 240.104 2.604 0 40 BFAB Nc1cc(F)cc(Oc2cccnc2)c1 75629604 GFKOHCLQLOWUQK-UHFFFAOYSA-N 204.204 2.595 0 40 BFAB Cc1ccc(-c2nc(-c3cnccn3)no2)s1 84508909 HJOOMTSBCLEHLD-UHFFFAOYSA-N 244.279 2.564 0 40 BFAB Cc1cc(Br)cc2c1C(=O)CC2 88190107 LUIGHUXDBSLWPG-UHFFFAOYSA-N 225.085 2.886 0 40 BFAB FC(F)(F)C(F)(F)c1ccc(Cl)nn1 91252224 XRRFQVMMNMMJJY-UHFFFAOYSA-N 232.539 2.784 0 40 BFAB c1ccc2oc(-c3ccnc4ncnn34)cc2c1 95476847 RGYBDFFLUMYBAU-UHFFFAOYSA-N 236.234 2.538 0 40 BFAB COC(=O)c1c(Cl)ncc2ccccc12 95830861 DCQIYLQWJRJJPP-UHFFFAOYSA-N 221.643 2.675 0 40 BFAB Cc1ccc(CN(C)[C@H](C)c2ccccn2)nc1 97113650 BMBUAKRTBWFPNI-CYBMUJFWSA-N 241.338 2.978 0 40 BFAB CCN(C(=O)[C@H](C)OCC1CC1)C1CCCC1 119615149 LJNDZDNEABVVLU-NSHDSACASA-N 239.359 2.593 0 40 BFAB CCC(O)(CC)c1ccc(Br)nc1 143813306 FQQWXDXQXXFOSY-UHFFFAOYSA-N 244.132 2.852 0 40 BFAB CC(=O)c1ccc(-c2ccc(F)cc2F)[nH]c1=O 225815543 NLUFLQZJQARWKB-UHFFFAOYSA-N 249.216 2.523 0 40 BFAB Cc1cc2cc[nH]c2nc1Br 238508897 OBOZADNPJGWBFL-UHFFFAOYSA-N 211.062 2.634 0 40 BFAB CCCN(c1ccc(F)cc1)[C@H](CC)C(=O)O 260679654 UXEANIGDOYHNPU-GFCCVEGCSA-N 239.290 2.905 0 40 BFAB CC(C)(C)C(=O)c1ccc(N2CCOCC2)cc1 575243140 SQGMSGYDAFEKQN-UHFFFAOYSA-N 247.338 2.752 0 40 BFAB Cc1c(Cl)cccc1N[C@H]1CC[C@H]1O 585298785 HCWNHESFOLHZHO-WDEREUQCSA-N 211.692 2.584 0 40 BFAB COc1cccc2cc(-c3cc[nH]n3)oc12 1390353 GNSVREAYZWSBTH-UHFFFAOYSA-N 214.224 2.832 0 40 BFAB Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3CN 3683688 UWFGYGQNWCLZDJ-JTQLQIEISA-N 214.312 2.855 0 40 BFAB biogenic CCCCn1nc(C)c2c(C(=O)O)cc(C)nc21 4294517 AODUWGPXTQJPHG-UHFFFAOYSA-N 247.298 2.546 0 40 BFAB CN1C(=O)c2ccccc2Oc2cc(N)ccc21 5851624 UAFXYIFPRBANDH-UHFFFAOYSA-N 240.262 2.651 0 40 BFAB CC(=O)CCSc1nc2ccccc2o1 6186097 CHFNXNLUXGFTOM-UHFFFAOYSA-N 221.281 2.899 0 40 BFAB O=C1C[C@@H](c2ccc(Cl)cc2)[n+]2ccccc21 6322744 CRDGNKPKFNKHOZ-ZDUSSCGKSA-N 244.701 2.803 0 40 BFAB O=C(NCC1CCCCC1)c1ccc(O)cc1 9450201 QNBLYWFXGBNTIE-UHFFFAOYSA-N 233.311 2.702 0 40 BFAB COC(=O)Cc1c(C)nc2ccccc2c1C 12538963 JCRVYQLBRQOBIW-UHFFFAOYSA-N 229.279 2.567 0 40 BFAB C[C@H]1C[C@@H]1C(=O)Nc1ccnn1C1CCCCC1 12890344 WXFANLOVBLDDNV-JQWIXIFHSA-N 247.342 2.983 0 40 BFAB COC(=O)CCSCc1ccc(F)cc1 16971085 WRNLVHVNZPOZMT-UHFFFAOYSA-N 228.288 2.622 0 40 BFAB CC(C)CNc1ccc2c(c1)OCCO2 19916065 CMLGOAUKNWLAEZ-UHFFFAOYSA-N 207.273 2.526 0 40 BFAB CCC[C@@H](C)C(=O)Nc1ccc(F)cc1N 20157330 IOHXWGODBTVIGH-MRVPVSSYSA-N 224.279 2.783 0 40 BFAB O=C1C[C@H](c2ccccc2)c2cccc(O)c2O1 22114729 ZCMLWBCOCDSUKG-GFCCVEGCSA-N 240.258 2.833 0 40 BFAB O=C(O)c1ccc(Oc2ccccc2F)nc1 22215850 OZZNBLMFROTCHT-UHFFFAOYSA-N 233.198 2.711 0 40 BFAB CC(=O)C(CCCOc1ccccc1)C(C)=O 23115359 MENZRBGPZFGASE-UHFFFAOYSA-N 234.295 2.640 0 40 BFAB Cc1csc(NC(=O)CSC(C)C)n1 24546034 PYBSWNYTJWPGCS-UHFFFAOYSA-N 230.358 2.532 0 40 BFAB O=C(NC1CCCC1)c1ccc2cc[nH]c2c1 32488333 AZPAYXSEXSHHPT-UHFFFAOYSA-N 228.295 2.840 0 40 BFAB CC[C@H](NC(=O)CCCC(=O)O)c1ccccc1 35670710 GWQOXIAEOSDOLI-LBPRGKRZSA-N 249.310 2.509 0 40 BFAB Nc1nc(-c2ccc(Cl)s2)ns1 36753345 WJSZDGLSJRZSGW-UHFFFAOYSA-N 217.706 2.502 0 40 BFAB N[C@H]1C[C@H]1c1ccc(Cl)cc1Cl 37381620 UDMYMDZSOYJSPZ-CBAPKCEASA-N 202.084 2.808 0 40 BFAB C[C@H](N)CCc1ccccc1Br 37408531 HEPIOEQTKIQTIV-QMMMGPOBSA-N 228.133 2.729 0 40 BFAB CC(C)C(=O)Nc1ccc(Cl)c(C(=O)O)c1 37500402 NXVWHIUQIANBRQ-UHFFFAOYSA-N 241.674 2.633 0 40 BFAB in-vitro Cc1cc(C)c2cc(C(=O)NCC3CC3)[nH]c2c1 40051577 DETKULAMSVWEMO-UHFFFAOYSA-N 242.322 2.925 0 40 BFAB COc1ccc([C@@H](O)c2ccsc2)cc1F 40263114 KPNUQIDBTYXZCG-GFCCVEGCSA-N 238.283 2.978 0 40 BFAB CN(Cc1ccco1)C(=O)c1cccs1 40459792 KACIRYGIPPFCDC-UHFFFAOYSA-N 221.281 2.613 0 40 BFAB CCN(Cc1cccc(F)c1)C(=O)[C@H]1C[C@@H]1C 40462413 IUBOXIMXFNQZKZ-GWCFXTLKSA-N 235.302 2.830 0 40 BFAB O=C(CC[C@@H]1CCCO1)Nc1ccc(F)cc1 40505842 PQJFOFGSCWSRKR-LBPRGKRZSA-N 237.274 2.723 0 40 BFAB COc1ccc(C[C@@H]2CCCC(=O)C2)cc1 43210778 HRUCIIVYHABPSG-LBPRGKRZSA-N 218.296 2.997 0 40 BFAB O=C(Nc1ccc(F)c(F)c1)N1CCCC1 45297161 QDSVKLJYZAPHAG-UHFFFAOYSA-N 226.226 2.593 0 40 BFAB Fc1cc(F)c(F)c(OC(F)F)c1F 47203392 SYLWJPITZPRIDB-UHFFFAOYSA-N 216.080 2.844 0 40 BFAB O=C(O)c1cc(-c2ccccc2)cnc1F 47211795 VWCVAVZUHKUAAF-UHFFFAOYSA-N 217.199 2.586 0 40 BFAB in-vitro Cc1csc(NC(=O)CCCn2cccc2)n1 49031010 SINZMNBMZSMEKI-UHFFFAOYSA-N 249.339 2.672 0 40 BFAB Cc1cccc(C)c1OCC(=O)NC1CCCC1 49890873 DKSUBGWNKLXPRW-UHFFFAOYSA-N 247.338 2.741 0 40 BFAB CCCC[C@H](O)c1ccccc1C(=O)O 59872992 IEZTYUMJKFZPEW-NSHDSACASA-N 208.257 2.608 0 40 BFAB O[C@H](Cc1ccc(Cl)cc1)C(F)(F)F 61893937 IYYUIIVBJNRBSG-MRVPVSSYSA-N 224.609 2.806 0 40 BFAB in-vitro CCOC(=O)c1csc(-c2ccc(N)cc2)n1 71621523 LZHUXAJBTASELP-UHFFFAOYSA-N 248.307 2.569 0 40 BFAB CC(C)(C)C(=O)NC/C=C/c1ccccc1 71902891 GNMFAZDQKHKUHQ-JXMROGBWSA-N 217.312 2.862 0 40 BFAB CC(C)(C)C(=O)N1CCC(c2ccccn2)CC1 72187770 LTHUWWWKGNSPMW-UHFFFAOYSA-N 246.354 2.834 0 40 BFAB CCCN(CCC)c1cc(C)c(CO)cn1 72223280 MODPVQXIDKHRGI-UHFFFAOYSA-N 222.332 2.509 0 40 BFAB CCCc1ccc(C(=O)CC2OCCO2)cc1 85652210 HDMMOLQXTOMNAQ-UHFFFAOYSA-N 234.295 2.585 0 40 BFAB O=C(O)[C@@H](CC(F)F)c1ccc(F)cc1 86365941 FFKYXZAYICMTQO-QMMMGPOBSA-N 218.174 2.649 0 40 BFAB CCOC(=O)c1c[nH]c2cccc(Cl)c12 89203386 YPSJYWHNSKLBBW-UHFFFAOYSA-N 223.659 2.998 0 40 BFAB CC(C)(C)OC(=O)Nc1ncc(F)cc1F 89228981 XSJQBPWDMZVEMH-UHFFFAOYSA-N 230.214 2.707 0 40 BFAB CCCN1CCC[C@@H]1C(=O)OCC(C)(C)CC 95455090 WMOUBSJQRCZRFD-GFCCVEGCSA-N 241.375 2.840 0 40 BFAB COc1c(C(=O)O)cnc2c(C)cc(C)cc12 95532196 IGNINTBMCSZEEU-UHFFFAOYSA-N 231.251 2.558 0 40 BFAB CCOC(=O)c1ccc(C(C)(F)F)cc1 95725623 XVTHJQHKAZPIDB-UHFFFAOYSA-N 214.211 2.975 0 40 BFAB CSCc1ccccc1NC(=O)C1CC1 95940174 UVQCBOVLWAVXKN-UHFFFAOYSA-N 221.325 2.898 0 40 BFAB CN(C(=O)NC[C@H]1C[C@@H]1c1ccccc1)C1CC1 96406270 JVOYSBMXQWTRLV-TZMCWYRMSA-N 244.338 2.594 0 40 BFAB Cc1cc(NC(=O)Nc2ccncc2)ccc1O 97104532 SKAUEXCXYADJBE-UHFFFAOYSA-N 243.266 2.740 0 40 BFAB CC[C@@H]1CCCC[C@@H]1OC(=O)CCCOC 97364033 FDPYPCWSEVDKEM-NEPJUHHUSA-N 228.332 2.925 0 40 BFAB CC1(C)C[C@H]2[C@@H]1CC[C@]1(C)C[C@]2(O)CC[C@@H]1O 104080780 SFJOMLIUSIKKRA-JQPXUNLUSA-N 238.371 2.725 0 40 BFAB OCC1(N[C@@H]2CC[C@H](Cc3ccccc3)C2)CC1 188429435 CKOIGUFMENFNNK-HUUCEWRRSA-N 245.366 2.512 0 40 BFAB CCn1nc(C)c([C@H]2CCCCCN2)c1C 217459291 GQARAZHJQHEFHB-GFCCVEGCSA-N 221.348 2.725 0 40 BFAB CC1(C)CC(=O)[C@@H]2C(C3CCCCC3)=NN[C@H]2C1 228926899 KOGWSNSKRMXIPR-WCQYABFASA-N 248.370 2.900 0 40 BFAB CC1(C)CC(=O)[C@H]2C(C3CCCC3)=NN[C@H]2C1 228927445 IUNMDJKZDAYWDP-JQWIXIFHSA-N 234.343 2.510 0 40 BFAB c1ccc2nc(OC3CCSCC3)cnc2c1 585652628 QJDZMSJCPRZASU-UHFFFAOYSA-N 246.335 2.904 0 40 BFAB COC(=O)C[C@@H]1COc2cc3ccccc3cc21 585656354 IUXIAXCJPBWLQC-GFCCVEGCSA-N 242.274 2.879 0 40 BFAB Cc1ccc2cc(-c3cc(N)on3)ccc2n1 1535837698 GTOUMVPPGYACBD-UHFFFAOYSA-N 225.251 2.780 0 40 BFAB Nc1ncc(Cc2ccc(Cl)cc2)s1 81539 KMPMCIAXAISHFL-UHFFFAOYSA-N 224.716 2.970 0 40 BFAB in-vitro COc1ccc(OC(=O)C2CCCC2)cc1 384166 ORMAVLLFHICVKM-UHFFFAOYSA-N 220.268 2.791 0 40 BFAB O=C(Nc1ccccc1F)C1CCCC1 476643 BILOBPFKHTWHOV-UHFFFAOYSA-N 207.248 2.954 0 40 BFAB COc1ccc(NCc2c(C)noc2C)cc1 1383218 FCPHKLHHODPQGQ-UHFFFAOYSA-N 232.283 2.912 0 40 BFAB C[C@@H]1CCO[C@](C)(Cc2ccccc2)O1 1566546 TXFAVUPKTNYIEY-YPMHNXCESA-N 206.285 2.771 0 40 BFAB CCC/C(OC(C)=O)=C(\CCC)OC(C)=O 2045240 LUFHNWUPKQIOBY-QXMHVHEDSA-N 228.288 2.924 0 40 BFAB CCCCCC[C@H](C)O[C@@H]1CCS(=O)(=O)C1 3098903 DIJAYZRTHWOLAU-NWDGAFQWSA-N 248.388 2.549 0 40 BFAB N[C@H]1C[C@H]2CCCC[C@@H]2C[C@@]1(O)c1ccccc1 5395544 QPSHWOZTWDCKIJ-LUYZLQTOSA-N 245.366 2.802 0 40 BFAB O=C(c1cc2cc(Cl)ccc2o1)N1CCC1 8328018 HUSYFBHSYRDIND-UHFFFAOYSA-N 235.670 2.932 0 40 BFAB CSc1nnc(-c2ccccc2C)o1 9198785 FQUYEIVOWACUPJ-UHFFFAOYSA-N 206.270 2.767 0 40 BFAB O=C(O)[C@H](Cc1ccccn1)c1ccc(F)cc1 11570637 GNTKFBQRFBTPAS-CYBMUJFWSA-N 245.253 2.632 0 40 BFAB CSCC(=O)Nc1ccc(C)cc1Cl 12913591 RKUKDWAHANWWRU-UHFFFAOYSA-N 229.732 2.950 0 40 BFAB CCN1CCCC[C@H]1CCOc1ccccc1N 13997086 WTVJYCXDYHBMOK-ZDUSSCGKSA-N 248.370 2.912 0 40 BFAB CCCNC(=O)c1cc2ccccc2cc1OC 14246673 HCUWAQCSPKFABV-UHFFFAOYSA-N 243.306 2.988 0 40 BFAB O=C(Nc1ccccc1O)c1ccc(F)cc1F 14704296 MKZZFGGBGQVIFR-UHFFFAOYSA-N 249.216 2.923 0 40 BFAB Cc1ccc(NC(=O)c2cccc(F)c2)c(N)c1 20343206 NDIVPMCOQIRWHO-UHFFFAOYSA-N 244.269 2.969 0 40 BFAB Cc1noc(CSc2nc3ccccc3[nH]2)n1 22610995 RSCSXQDHAVQUKH-UHFFFAOYSA-N 246.295 2.547 0 40 BFAB FC(F)(F)c1ccc([C@@]23CNC[C@@H]2C3)cc1 27551225 IWDGZABFNGRZPF-WDEREUQCSA-N 227.229 2.566 0 40 BFAB Cc1cc(C(=O)N[C@@H](C)c2cccnc2)c(C)o1 32819210 WMFOQUZJRAUITQ-JTQLQIEISA-N 244.294 2.782 0 40 BFAB COC(=O)COc1cccc(Cl)c1Cl 34723185 RHXWOFSSGKIUOH-UHFFFAOYSA-N 235.066 2.545 0 40 BFAB COc1cccc([C@@H](C)Nc2cnn(C)c2)c1 35737752 MAZGIAIJMSZOKN-SNVBAGLBSA-N 231.299 2.602 0 40 BFAB in-vitro Cc1ccc([C@H](O)c2ccc(F)c(F)c2)o1 40254703 DSHDTMHXOMDWKB-GFCCVEGCSA-N 224.206 2.948 0 40 BFAB O[C@@H](c1ccc(F)c(F)c1)C(F)(F)F 42268415 JORHCERXDHSICF-ZETCQYMHSA-N 212.117 2.561 0 40 BFAB c1cc(-c2cc(-c3ccncc3)ncn2)ccn1 47216009 LZYRMOSOYHZZSC-UHFFFAOYSA-N 234.262 2.601 0 40 BFAB C[C@]1(c2ccc(C(F)(F)F)cc2)CCNC1 51955317 JJMQOZZOHMTPEG-NSHDSACASA-N 229.245 2.956 0 40 BFAB in-vitro Cc1cc(N)nn1-c1cccc(C(F)(F)F)c1 54404725 ACRBKDLKEXHHLB-UHFFFAOYSA-N 241.216 2.782 0 40 BFAB Cc1ccc(C)c(N[C@H](C)C(=O)N2CCCC2)c1 57324308 VMXHCYGWZOGUEK-CYBMUJFWSA-N 246.354 2.726 0 40 BFAB OCCCc1cccc(Cl)c1Cl 62711160 MWCKCCVLVMKNCB-UHFFFAOYSA-N 205.084 2.918 0 40 BFAB C[C@H](O)[C@H]1C[C@@H]1c1c(F)cccc1Cl 62713896 VQOQDOFTPMLQDE-RNJXMRFFSA-N 214.667 2.963 0 40 BFAB CCOC(=O)CC1(N2CCCC2)CCCCC1 72210231 UIPGSXGLJXGSBH-UHFFFAOYSA-N 239.359 2.738 0 40 BFAB CCN1CCCC[C@@H]1c1cnc(NC)cc1C 72219056 KXWBPAZSKQBKOE-CYBMUJFWSA-N 233.359 2.979 0 40 BFAB Cc1cc(N2CCCCCC2)ncc1[C@@H](C)N 72223530 KSMPCOXRWNZOLC-GFCCVEGCSA-N 233.359 2.790 0 40 BFAB NCC1(c2ccc(Br)cc2F)CC1 75934196 HKEDCNRYIDRVFH-UHFFFAOYSA-N 244.107 2.579 0 40 BFAB c1ccc2nc(-c3nc(C4CC4)no3)cnc2c1 78774223 YBBSMEJJGNTDID-UHFFFAOYSA-N 238.250 2.557 0 40 BFAB C[C@@H](OC(=O)C1CC1)c1nc2ccccc2n1C 80801167 QOHJMXIHLKLYHU-SECBINFHSA-N 244.294 2.588 0 40 BFAB Cc1ccncc1NC(=O)NC1CCCCC1 89280667 JECPTQPQMPWHDS-UHFFFAOYSA-N 233.315 2.844 0 40 BFAB c1cncc(CN2CC[C@H]3CCCC[C@@H]32)c1 89794006 KCNXZXBGQRGTIM-KGLIPLIRSA-N 216.328 2.846 0 40 BFAB CC(=O)N1CCC[C@H]1CC1CCCCC1 89930518 GIHSEHCHZFGZRV-ZDUSSCGKSA-N 209.333 2.968 0 40 BFAB CCO[C@@H](C)c1noc([C@@H]2CC=CCC2)n1 89984966 QAWWRYOGDJCVOJ-VHSXEESVSA-N 222.288 2.991 0 40 BFAB Oc1cccc2c1CC[C@@H]2Nc1ccccn1 91485171 RBLMMPLFJYILGE-LBPRGKRZSA-N 226.279 2.887 0 40 BFAB Cc1cc(-c2ccccc2C=O)sn1 91696002 FUSVOGFHOYMVLN-UHFFFAOYSA-N 203.266 2.931 0 40 BFAB O=C(O)c1cc2ccc(OC(F)F)cc2o1 95883612 FQXCPJIUTVOGQM-UHFFFAOYSA-N 228.150 2.732 0 40 BFAB in-vitro CC(C)C(=O)N[C@@H]1CCCc2cn(C(C)C)nc21 96002852 ADSYNAXYCKVXLL-GFCCVEGCSA-N 249.358 2.614 0 40 BFAB CO[C@@H]1CCCC[C@H]1OC(=O)C1CCCC1 97404918 RMNIRHDUCYXNFX-VXGBXAGGSA-N 226.316 2.677 0 40 BFAB CC(C)O[C@H](Cc1ccc(Cl)cc1)C(=O)O 220801514 DQRKEZRZGVZFMK-LLVKDONJSA-N 242.702 2.761 0 40 BFAB O=C1Nc2ccc(Br)cc2[C@@H]2C[C@H]12 225812117 IZNQQPFXDKFDOD-XPUUQOCRSA-N 238.084 2.505 0 40 BFAB CC(=O)OC(C)(C)C(=O)c1cc(F)ccc1C 575357688 WIIOYYSVBBDDRA-UHFFFAOYSA-N 238.258 2.659 0 40 BFAB O=Cc1c[nH]c2nc(Cl)cc(Cl)c12 575441077 TZGONJGFSGKDCD-UHFFFAOYSA-N 215.039 2.682 0 40 BFAB O=C(O)[C@H](C1CCCCC1)C1(O)CCCC1 155057 ZSQDFGTXYQMEHT-NSHDSACASA-N 226.316 2.573 0 40 BFAB ClC(Cl)=Cn1nnnc1-c1ccccc1 787624 MSDAGDQQIDYXQG-UHFFFAOYSA-N 241.081 2.574 0 40 BFAB CC[C@@H](C)NC(=O)Nc1ccc(C)cc1 1719445 BNCXYBFZMPJUFJ-SNVBAGLBSA-N 206.289 2.915 0 40 BFAB CN1CCC2(C1)C1CC3CC(C1)CC2C3 1722645 XUYCDONIELSCFK-UHFFFAOYSA-N 205.345 2.764 0 40 BFAB C[C@H](NC(=O)c1ccccc1)c1ccc[nH]1 2042204 FAEQETDDYMFNBK-JTQLQIEISA-N 214.268 2.506 0 40 BFAB O=C(Nc1ccccc1)OC[C@@H]1CCCCO1 3633599 RJRVQXYDLDHNDL-LBPRGKRZSA-N 235.283 2.804 0 40 BFAB Cc1cccc(C(=O)NCc2ccccc2)c1O 5943064 JJZJBFFXFHKIBB-UHFFFAOYSA-N 241.290 2.631 0 40 BFAB Nc1ccc(OCc2ccncc2)c(Cl)c1 8764129 QSCHEVFABWWQEU-UHFFFAOYSA-N 234.686 2.896 0 40 BFAB CC(C)Oc1ccc(Br)cc1N 19845826 ZLBJGAIDWQCWTD-UHFFFAOYSA-N 230.105 2.819 0 40 BFAB in-vitro NC1(CN2CCCCCCC2)CCCCC1 21816457 PSZIFCOLQGOUGL-UHFFFAOYSA-N 224.392 2.914 0 40 BFAB C[C@@H]1Cc2cc(C(=O)C(F)(F)F)ccc2N1 31947646 WCGRTGORJHCWTQ-ZCFIWIBFSA-N 229.201 2.788 0 40 BFAB COC(=O)/C(=C\Nc1ccccc1)C(F)(F)F 34458466 AJQRVKVZRISZKL-VQHVLOKHSA-N 245.200 2.718 0 40 BFAB COP(=O)(OC)C1SC=CS1 34563363 ZQRMTDYBPMYORJ-UHFFFAOYSA-N 212.232 2.707 0 40 BFAB in-vitro C[C@@H]1CCCN([C@H]2OC(=O)c3ccccc32)C1 35092906 JYKDZGJVWHHXFP-MFKMUULPSA-N 231.295 2.588 0 40 BFAB CC(C)C[C@H](C)N(C)C(=O)Cc1cccc(O)c1 42592639 CPUQJGMJVZUTIH-LBPRGKRZSA-N 249.354 2.828 0 40 BFAB C[C@@H]1CCCCN1C(=O)Nc1nccs1 42736795 KGBMZCZPQPTCRR-MRVPVSSYSA-N 225.317 2.549 0 40 BFAB CCc1cc(N)cc(C)c1NC(=O)c1ccco1 45889179 NPWXKOPQUQIBNP-UHFFFAOYSA-N 244.294 2.985 0 40 BFAB CC[C@@H]1CCCCN1c1cc(=S)[nH]cn1 45918623 YRZYETZCYPNNOW-SECBINFHSA-N 223.345 2.908 0 40 BFAB CCNC(=O)COc1cc(C)ccc1C(C)C 47209546 CLOPNJIQDGILNH-UHFFFAOYSA-N 235.327 2.633 0 40 BFAB C[C@H]1Cc2ccccc2[C@@H]1NC(=O)c1ccco1 71894485 WMIVYMCADBSEON-IINYFYTJSA-N 241.290 2.943 0 40 BFAB C[C@H](NC(=O)OC(C)(C)C)C(=O)C(C)(C)C 72208931 TYCRETDNDCTIRZ-QMMMGPOBSA-N 229.320 2.515 0 40 BFAB CC(=O)N1CCC[C@@H]1c1ccc2ncccc2c1 72221780 MXAJHMBRAGFWSL-OAHLLOKOSA-N 240.306 2.918 0 40 BFAB C[C@H](NC(=O)C1CCC1)c1nc2ccccc2o1 72245223 DNYNQVPEMDKKMF-VIFPVBQESA-N 244.294 2.805 0 40 BFAB CCN(CCO)Cc1cc(Cl)ccc1Cl 79420126 IJULPWHJYKJHBI-UHFFFAOYSA-N 248.153 2.808 0 40 BFAB CC(=O)c1sc2ccccc2c1C(=O)O 82320659 HERIBGJXNKWRRX-UHFFFAOYSA-N 220.249 2.802 0 40 BFAB CN(CCc1ccccc1)CC[C@H]1CCCNC1 88195301 RPXTUQFHASRNAD-MRXNPFEDSA-N 246.398 2.551 0 40 BFAB Cn1nc(C(F)F)c(C(F)F)c1Cl 91252222 KEXBLJBYDVNNBQ-UHFFFAOYSA-N 216.565 2.949 0 40 BFAB COC[C@H](C)Nc1cccc(N(C)C)c1C 97162443 XOGNYAILWRMIME-JTQLQIEISA-N 222.332 2.508 0 40 BFAB CC[C@H](SC)C(=O)Nc1ccc(O)cc1F 97238716 SHZZXGIEVITACG-JTQLQIEISA-N 243.303 2.611 0 40 BFAB C1CCC(N2CCN([C@H]3C[C@@H]4CC[C@@H]3C4)CC2)C1 100610246 DNNZFCPRPFOCHG-FMKPAKJESA-N 248.414 2.735 0 40 BFAB CCc1nn(C)c(CC)c1CN[C@@H]1CC=CCC1 195546043 DHYPDEVXHZRMAF-GFCCVEGCSA-N 247.386 2.743 0 40 BFAB C[C@@H]1C[C@](C)(C(=O)O)CC12SCCS2 217893487 MNASLHKBLVRWNY-APPZFPTMSA-N 232.370 2.684 0 40 BFAB Cc1cccc(C)c1C[C@H](OC(C)C)C(=O)O 225032669 QEDXZXNRPILRJL-ZDUSSCGKSA-N 236.311 2.724 0 40 BFAB Oc1cccc2c(C(F)(F)F)noc12 228940485 WVAHXEFEVOOJGC-UHFFFAOYSA-N 203.119 2.552 0 40 BFAB CCOC(=O)c1c(F)ccc2ccoc12 261196952 UCYZLXGEGADIQQ-UHFFFAOYSA-N 208.188 2.749 0 40 BFAB C[C@H]1Cn2c(nnc2-c2cccc(F)c2)S1 110479 TZSOYPGBWUBLMI-ZETCQYMHSA-N 235.287 2.578 0 40 BFAB O[C@@H](c1ccco1)c1nc2ccccc2s1 1609987 RRLUEBUFZLWEBS-NSHDSACASA-N 231.276 2.971 0 40 BFAB COc1ccc(C(=O)[C@@H](O)c2ccccc2)cc1 1634057 PVSFIFPJPUEHPO-AWEZNQCLSA-N 242.274 2.612 0 40 BFAB biogenic,in-vitro COc1ccc(CCC2(C)OCCCO2)cc1 1671351 ZSZIWKWZBZEDCO-UHFFFAOYSA-N 236.311 2.781 0 40 BFAB O=Nc1nc2ncccn2c1-c1ccccc1 4877021 VMWPBGXWQQKKIX-UHFFFAOYSA-N 224.223 2.794 0 40 BFAB Cc1ccc([C@H](O)c2ccccc2N)cc1 5330871 HAUFICIUCBBZIK-AWEZNQCLSA-N 213.280 2.659 0 40 BFAB N[C@H]1C[C@H]2CCCC[C@H]2C[C@@]1(O)c1ccccc1 5395542 QPSHWOZTWDCKIJ-BFJAYTPKSA-N 245.366 2.802 0 40 BFAB CCSc1nc(-c2ccc(OC)cc2)n[nH]1 6141888 PAOYRSQBPUNNTM-UHFFFAOYSA-N 235.312 2.592 0 40 BFAB CC(C)NC(=S)N[C@H](C)c1ccccc1 7557501 XYDVMDBYMJWSGK-SNVBAGLBSA-N 222.357 2.620 0 40 BFAB Cc1cccc(-c2ccc(C=O)o2)c1C(=O)O 8727907 FAZVMJQBOAJLSZ-UHFFFAOYSA-N 230.219 2.766 0 40 BFAB C[C@H]1Cc2cc(Br)ccc2N1 8764172 NSBOZWGQLGHLQZ-LURJTMIESA-N 212.090 2.806 0 40 BFAB in-vitro CCC(=O)N(Cc1ccccc1)C(C)C 9720552 HOCOMNPGEXJGDQ-UHFFFAOYSA-N 205.301 2.834 0 40 BFAB CC(C)(C)c1csc(C2CCNCC2)n1 11632070 JQYOZZMLTAZELM-UHFFFAOYSA-N 224.373 2.908 0 40 BFAB in-vitro Fc1ccc(Cl)c(O[C@H]2CCCNC2)c1 14631845 CIAJXYPDGJUUBY-VIFPVBQESA-N 229.682 2.610 0 40 BFAB Cc1ccc(NC(=O)Cc2cccc(N)c2)cc1 20186041 NWQXPPIISVBQKF-UHFFFAOYSA-N 240.306 2.758 0 40 BFAB Cc1ccc(-n2nc(C)c(C=O)c2C)c(C)c1 26509833 DIPLHWFWQJMQFR-UHFFFAOYSA-N 228.295 2.918 0 40 BFAB CC(=O)CC(=O)c1ccc(C(F)(F)F)cc1 26513525 DLIOGFQTFUVFFB-UHFFFAOYSA-N 230.185 2.867 0 40 BFAB in-vitro C[C@@H]1C[C@H]1C(=O)N1CCSc2ccccc21 32997913 ADUTZESNAHBXLO-NXEZZACHSA-N 233.336 2.781 0 40 BFAB CC(C)CC(=O)c1ccc2c(c1)CCO2 34976698 VLEFKIVNIVFKBD-UHFFFAOYSA-N 204.269 2.850 0 40 BFAB CC[C@@H](N)Cc1ccccc1C(F)(F)F 36778945 KCDOUUPUKHRKAJ-SECBINFHSA-N 217.234 2.985 0 40 BFAB in-vitro Cc1ccccc1CCNC(=O)CC(F)(F)F 40490343 HXLHZCBYJVFORA-UHFFFAOYSA-N 245.244 2.606 0 40 BFAB Cc1cc(N)cnc1-c1cccc(F)c1 47203645 KCNVZAZRQKPOAB-UHFFFAOYSA-N 202.232 2.778 0 40 BFAB CC[C@@H]1CCCCN1C(=O)Nc1ccccn1 48347384 NFNHRRUOEZVEIC-LLVKDONJSA-N 233.315 2.878 0 40 BFAB Cc1ccc(CSCC(=O)NC(C)C)cc1 50077424 VTBOHZZZFMTTPR-UHFFFAOYSA-N 237.368 2.753 0 40 BFAB CNc1ccccc1C(=O)N1CC[C@@H](C)C[C@H]1C 51748397 NIVPQOZCTDXNMF-VXGBXAGGSA-N 246.354 2.989 0 40 BFAB CCCC[C@@H](O)c1ccccc1C(=O)O 59872994 IEZTYUMJKFZPEW-LLVKDONJSA-N 208.257 2.608 0 40 BFAB OC[C@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 62720163 KVNJHEDVNVVWOD-SCZZXKLOSA-N 232.201 2.681 0 40 BFAB CC[C@@H]1CN(Cc2ccccc2)[C@H](CC)CN1 71372308 OGTGPQVLSNVPIB-HUUCEWRRSA-N 232.371 2.649 0 40 BFAB in-vitro Cc1cc(Cl)ncc1[C@H]1CCCN1C 72217826 XMEROKHPRHKWAH-SNVBAGLBSA-N 210.708 2.810 0 40 BFAB CCN1CCCC[C@H]1c1ccncc1C 72219530 BDLXUJHDKXKZCM-ZDUSSCGKSA-N 204.317 2.937 0 40 BFAB N[C@H](c1ccccc1)c1ccc(Cl)nc1 72225853 XGGPEQYCNLZHEO-GFCCVEGCSA-N 218.687 2.783 0 40 BFAB COCC[C@@H](C)SCc1ccccn1 95991025 PKWUJFZERYIYED-SNVBAGLBSA-N 211.330 2.740 0 40 BFAB CC[C@H](O)Cc1cc(F)cc(Cl)c1 96543488 NGHXNXZTRYCBHG-JTQLQIEISA-N 202.656 2.793 0 40 BFAB c1ccc(CCCSc2cn[nH]n2)cc1 97012073 JWIVIRIZGFTXEM-UHFFFAOYSA-N 219.313 2.530 0 40 BFAB CCC(=O)[C@@H]1C(=O)[C@]2(C)CC[C@@H]1C2(C)C 100672463 DQYYHKHSFKGKOZ-PLMOITTCSA-N 208.301 2.607 0 40 BFAB Cc1ccc(C[C@H]2C[C@@H]2C(=O)O)cc1C 217823701 FTYLSIKEUCKWEW-RYUDHWBXSA-N 204.269 2.567 0 40 BFAB Cc1cc(NCCN)c2cccc(Cl)c2n1 222687158 YCXZTBDUBQUOLS-UHFFFAOYSA-N 235.718 2.567 0 40 BFAB CSc1nc(Cl)c(C(C)=O)c(Cl)n1 224966851 DUNQUDGJBRHJTE-UHFFFAOYSA-N 237.111 2.708 0 40 BFAB CCN(c1ccc(C)cc1C)[C@@H](C)C(=O)O 224982387 SGNCGIFMGCLSMW-NSHDSACASA-N 221.300 2.603 0 40 BFAB Cc1cc(-c2noc(-c3ccco3)n2)ccc1N 225173942 UAICLDMQTNLXEH-UHFFFAOYSA-N 241.250 2.887 0 40 BFAB CCOC(=O)CCc1c[nH]c2cccc(F)c12 225300211 ZTJSGJIXSXNOMO-UHFFFAOYSA-N 235.258 2.803 0 40 BFAB CCCCCCNCc1cn(CC)nc1C 256053902 UCDAPUGWFOXLBY-UHFFFAOYSA-N 223.364 2.881 0 40 BFAB COC(=O)[C@@H]1[C@H](C(F)=C(C)C)C1(C)C 261828095 AFACSBUBJCFCHH-SFYZADRCSA-N 200.253 2.695 0 40 BFAB Clc1ccnc2c1ncn2[C@H]1CCCCO1 2362804342 LIENSJPUSVDWBC-SECBINFHSA-N 237.690 2.784 0 40 BFAB Cc1ccc(OC(=O)c2ccco2)cc1 349117 QVMFBPKUWRBOGY-UHFFFAOYSA-N 202.209 2.807 0 40 BFAB CC[C@@H](C)Nc1nc(Cl)nc(NC(C)C)n1 395882 VNLAIRYDIYJHAZ-SSDOTTSWSA-N 243.742 2.556 0 40 BFAB CCC(=O)Nc1nnc(-c2cccc(C)c2)s1 795777 RRIQUFDNYQMYCJ-UHFFFAOYSA-N 247.323 2.862 0 40 BFAB CCCCn1c(COC)nc2ccccc21 1926901 GQPRBPDZQMIJMK-UHFFFAOYSA-N 218.300 2.983 0 40 BFAB N=C(N)c1cccc2c1Cc1ccccc1-2 2599218 RJGDLECROOVPJO-UHFFFAOYSA-N 208.264 2.542 0 40 BFAB Cc1noc(C)c1C(=O)Nc1ccc(F)cc1 3105225 XMFGYLAMMVOART-UHFFFAOYSA-N 234.230 2.683 0 40 BFAB Cc1cc(C)c(CN2CCC[C@H]2C(=O)O)c(C)c1 3748086 CGZSNWCOOIUJFK-AWEZNQCLSA-N 247.338 2.661 0 40 BFAB CC1=C(Sc2ccccn2)C(=O)NC(C)(C)C1 4082974 LYIOYMUIZFUFJR-UHFFFAOYSA-N 248.351 2.746 0 40 BFAB CC(=O)N[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1c1ccccc1 4769263 MNUMESDXWPVHHF-XGUBFFRZSA-N 229.323 2.705 0 40 BFAB C(=C/c1ccccc1)\CSc1ncn[nH]1 5946255 LTULOTXFKDUUOC-QPJJXVBHSA-N 217.297 2.610 0 40 BFAB CC(C)(C)C1CCC(NCCCO)CC1 6857312 VDHUVIMPRYRDHT-UHFFFAOYSA-N 213.365 2.563 0 40 BFAB Cc1ccc(NC(=O)c2cn(C)nc2C)cc1C 12015687 CCAIDCIZRSQMQJ-UHFFFAOYSA-N 243.310 2.598 0 40 BFAB CC(C)(C)c1ccc([C@@H]2CC(C(=O)O)=NO2)cc1 12398335 LLUPASSRPCMCLM-LBPRGKRZSA-N 247.294 2.886 0 40 BFAB Cc1ccnc(NC(=O)[C@@H]2CC=CCC2)c1 12536809 PEFQYUDKMVVEEY-LLVKDONJSA-N 216.284 2.685 0 40 BFAB C[C@@H]1C[C@H]1C(=O)Nc1ccnn1C1CCCCC1 12890354 WXFANLOVBLDDNV-ZYHUDNBSSA-N 247.342 2.983 0 40 BFAB Cc1oc(C)c(C(=O)Nc2cccnc2)c1C 15826913 GPORGCRTLHBVRF-UHFFFAOYSA-N 230.267 2.852 0 40 BFAB c1ccc2c(c1)NC1(S2)[C@H]2CCC[C@@H]1CNC2 19375711 PGFWNWLZPBMYFQ-BVUQATHDSA-N 246.379 2.920 0 40 BFAB C[C@@H](NCc1ccsc1)[C@@H](O)c1ccccc1 22076631 ATELECFPJVUZCB-BXUZGUMPSA-N 247.363 2.960 0 40 BFAB O=C(NCC1CC1)c1cc(-c2cccs2)on1 22972110 BKLYCLVSEIONCA-UHFFFAOYSA-N 248.307 2.543 0 40 BFAB Cc1cccn2c(N)c(-c3cccs3)nc12 26420599 LJJXYRMOQSFKNW-UHFFFAOYSA-N 229.308 2.953 0 40 BFAB Cc1ccccc1CNC(=O)[C@@H]1CC=CCC1 32678653 KCMVJPQXWTWPGW-CYBMUJFWSA-N 229.323 2.968 0 40 BFAB Cc1ccc(C(=O)N[C@H](C)c2cccnc2)cc1 32731623 ZXXIGCQOYSVQBE-GFCCVEGCSA-N 240.306 2.881 0 40 BFAB C[C@H](NC(=O)C1CCC1)c1cccc(F)c1 32983562 DZZNHPJJKZHHTF-VIFPVBQESA-N 221.275 2.803 0 40 BFAB O=C(O)CNCc1ccc(-c2ccccc2)cc1 34959551 OWZQKRNNHNPJFZ-UHFFFAOYSA-N 241.290 2.528 0 40 BFAB CCOCCN[C@H](C)c1ccccc1C 35151226 MGCZPGAJFUMHRE-GFCCVEGCSA-N 207.317 2.682 0 40 BFAB C=CC(=O)N1CCC(Cc2ccccc2)CC1 36334351 VQWUZYUJTVJZQO-UHFFFAOYSA-N 229.323 2.654 0 40 BFAB CCOC(=N)c1ccccc1Br 37928123 HBEQHHCVVHQVBM-UHFFFAOYSA-N 228.089 2.811 0 40 BFAB OCCN(Cc1ccccc1)c1ccccc1 39170335 VMIORCIXXWGAGI-UHFFFAOYSA-N 227.307 2.686 0 40 BFAB CC[C@H](C)C(=O)Nc1ccc(OC)c(F)c1 40542270 SEKSKQFAATYFTI-QMMMGPOBSA-N 225.263 2.819 0 40 BFAB CNCCCCOc1ccc(Cl)cc1 41582437 JJHDYSUCILRZSH-UHFFFAOYSA-N 213.708 2.718 0 40 BFAB Cc1cccc(C(=O)c2ccccn2)c1C 43210501 VESUPZFFYQRIGE-UHFFFAOYSA-N 211.264 2.929 0 40 BFAB Fc1cccc(Cl)c1COC[C@H]1CCCN1 51816628 ASRYLIKESCOCSC-SECBINFHSA-N 243.709 2.748 0 40 BFAB Cc1cccnc1CNC(=O)CCC1CCCC1 71847810 IHCMLLXLFFKWES-UHFFFAOYSA-N 246.354 2.977 0 40 BFAB COC(=O)c1ncccc1-c1ccc(OC)cc1 72209370 JPDWARIDTFQOOM-UHFFFAOYSA-N 243.262 2.544 0 40 BFAB CCCN1CCC[C@H]1c1cc(C)ccn1 72211188 DBCUMTRHIJCZHG-ZDUSSCGKSA-N 204.317 2.937 0 40 BFAB Cc1nc(N2CCCC2)ccc1[C@H]1CCCCN1 72218933 ANIGKIBNOUNQJU-CQSZACIVSA-N 245.370 2.805 0 40 BFAB NC(=O)Nc1ccc(COC2CCCC2)cc1 76019004 WYWNOYYVYRZYAR-UHFFFAOYSA-N 234.299 2.636 0 40 BFAB CC(=O)c1ccncc1NC(=O)OC(C)(C)C 79058186 GFXIZWAPDSDUNQ-UHFFFAOYSA-N 236.271 2.631 0 40 BFAB COC(=O)c1cc(-c2cccc(Cl)c2)on1 83161163 LMGZMFMLMVLGTL-UHFFFAOYSA-N 237.642 2.782 0 40 BFAB Cc1ccccc1C(=O)N[C@H](C)Cc1ccoc1 84827367 LZCMJBGHVLXVBH-GFCCVEGCSA-N 243.306 2.949 0 40 BFAB Clc1cc(Br)cc2c1OCCN2 87439548 RPUCEFZYJYIUCI-UHFFFAOYSA-N 248.507 2.907 0 40 BFAB Cc1ccc(CCO)cc1OCC(C)C 95732103 AGAHRVLZAJMBQR-UHFFFAOYSA-N 208.301 2.565 0 40 BFAB CC(C)n1cc(N)c(NCCc2ccccc2)n1 95836751 HZROFLPKEFPBJG-UHFFFAOYSA-N 244.342 2.701 0 40 BFAB C1=C(/C=C/c2ccncn2)COc2ccccc21 157255634 CZOAYVNXGHDXGK-AATRIKPKSA-N 236.274 2.966 0 40 BFAB CCc1ccc(OCCNC(=O)C(C)(C)C)cc1 225163221 VDTRWBWFZMDRNL-UHFFFAOYSA-N 249.354 2.790 0 40 BFAB CCOc1cc(Cl)cc(C=O)c1OC 225274203 SKNBJRNSVVCZTM-UHFFFAOYSA-N 214.648 2.560 0 40 BFAB CCn1cc(C)c(NCc2ccccc2OC)n1 256053199 QMGOPAGLPISKTA-UHFFFAOYSA-N 245.326 2.832 0 40 BFAB c1ccc(COc2ccc(C3CNC3)cc2)cc1 307740361 NWEJNNZEKHXTRX-UHFFFAOYSA-N 239.318 2.952 0 40 BFAB O=C(O)[C@@H]1C[C@@H]1c1ccccc1OCC(F)F 408716094 ITSZTAGLDKTSAB-RKDXNWHRSA-N 242.221 2.519 0 40 BFAB CC(C)(C)O[C@H]1C[C@H](CC(=O)O)C1(C)C 1535542740 WEBFZAVQBZMIDG-BDAKNGLRSA-N 214.305 2.691 0 40 BFAB C[S@@](=N)(=O)Cc1ccc(Cl)cc1 1565504868 XEPYDMMCAISQHX-GFCCVEGCSA-N 203.694 2.517 0 40 BFAB Clc1ccc(CNC[C@H]2CCCO2)cc1 286313 SDLUZQHCUUASSV-GFCCVEGCSA-N 225.719 2.609 0 40 BFAB in-vitro Cc1ccc(N2C[C@H]3C[C@]4(C)C=C[C@@]3(C2)O4)cc1 1611421 OUDKTIKIWAYMNA-KBMXLJTQSA-N 241.334 2.919 0 40 BFAB O=C(O)[C@@H]1CC=CC[C@H]1c1ccccc1 1702309 KVZGDUKDAJKXOF-NWDGAFQWSA-N 202.253 2.821 0 40 BFAB CCc1ccc(OC[C@H]2CCCO2)cc1 2045896 HHHITMBTSTVMQW-CYBMUJFWSA-N 206.285 2.807 0 40 BFAB O=C(O)c1ccc(OC(F)(F)Cl)cc1 2568736 MKEUDNOXARFUQW-UHFFFAOYSA-N 222.574 2.553 0 40 BFAB CC(=O)Sc1nc2ccccc2s1 3043096 QURYOQAUYILEOH-UHFFFAOYSA-N 209.295 2.935 0 40 BFAB COc1cc(CNC2CC2)ccc1OC(F)F 4218555 RXNPPMUNGJVORF-UHFFFAOYSA-N 243.253 2.549 0 40 BFAB CC(C)NCc1ccc2c(c1)C[C@@H](C)O2 4343240 ZYQHJTRXXJWSTN-SNVBAGLBSA-N 205.301 2.508 0 40 BFAB CC(=O)Nc1ccc(C)c(NC(=O)C(C)C)c1 4950081 JIORKPSFUPQHGW-UHFFFAOYSA-N 234.299 2.548 0 40 BFAB CNC(=O)c1ccccc1Oc1ccccc1 5660001 ICXYWUGPBQZWJP-UHFFFAOYSA-N 227.263 2.839 0 40 BFAB COc1ccc(C(=O)NC2CCCC2)c(F)c1 7134184 DQPKVWSVUGIYLM-UHFFFAOYSA-N 237.274 2.507 0 40 BFAB CC(C)C[C@@H](CO)Cc1nc2ccccc2[nH]1 13281750 CTFUDHLGUDTFPE-LLVKDONJSA-N 232.327 2.760 0 40 BFAB Oc1cccc(CCc2cc(O)cc(O)c2)c1 13340868 UMZJVKFVOMTAFO-UHFFFAOYSA-N 230.263 2.589 0 40 BFAB biogenic,in-vitro CNCCC1CCN(Cc2ccc(C)cc2)CC1 15424008 KMDFTOXHCUWQBV-UHFFFAOYSA-N 246.398 2.817 0 40 BFAB Cc1ccc(F)cc1NC(=O)c1ccoc1 16205939 CTNRIFPUXGLQFW-UHFFFAOYSA-N 219.215 2.979 0 40 BFAB Nc1ccc2nc(C3CCCC3)[nH]c2c1 19518103 JEHWBUFEYZJLHG-UHFFFAOYSA-N 201.273 2.803 0 40 BFAB Cc1ccc(N)c(-c2nc(C3CC3)no2)c1 20021487 WVLNUFJNPLSQLB-UHFFFAOYSA-N 215.256 2.505 0 40 BFAB in-vitro COC(=O)CCCSc1ccccc1 26480389 ZSEFMFKDQORXAB-UHFFFAOYSA-N 210.298 2.732 0 40 BFAB in-vitro CCC[C@@H](C)N[C@H](C)c1nnc2ccccn12 36968975 HRNJBSYWRUZFSG-GHMZBOCLSA-N 232.331 2.569 0 40 BFAB CN[C@H](c1cccc(F)c1)c1ccccn1 37467473 WGALOMWOZVCCEG-CYBMUJFWSA-N 216.259 2.530 0 40 BFAB in-vitro Cc1ccc(C)c(N[C@@H](C)C(=O)N2CCCC2)c1 57324306 VMXHCYGWZOGUEK-ZDUSSCGKSA-N 246.354 2.726 0 40 BFAB CCOc1cccc([C@@H](C)NC(=O)C2CC2)c1 68747569 RJYQEPMAQUGMMR-SNVBAGLBSA-N 233.311 2.673 0 40 BFAB Cc1ccn(Cc2cccc(Cl)c2)c(=O)c1 69951987 UDJYUZQXFVDTFL-UHFFFAOYSA-N 233.698 2.858 0 40 BFAB CCO[C@@H](c1ccccc1)C1CCNCC1 72207915 WGZAJWDHDXWVNE-AWEZNQCLSA-N 219.328 2.764 0 40 BFAB CCN1CC[C@@H](NCc2ccccc2)[C@H](C)C1 73653947 NJVYAWGVQIBTKH-UKRRQHHQSA-N 232.371 2.507 0 40 BFAB Cn1cc(-c2cccc3ccncc23)cn1 74451655 IDRLDOUILMMJHX-UHFFFAOYSA-N 209.252 2.635 0 40 BFAB CC[C@H](c1ccccc1)N(CCN)C1CC1 79421251 LSTZHIXDZVZVBR-CQSZACIVSA-N 218.344 2.561 0 40 BFAB CC(C)(C)OC(=O)NC1C(C)(C)C1(C)C 86241390 VDXMVJKOYUIKKX-UHFFFAOYSA-N 213.321 2.946 0 40 BFAB CCCOc1ccc(Cn2ccccc2=O)cc1 92283090 VQNNFOLWDSBZQI-UHFFFAOYSA-N 243.306 2.685 0 40 BFAB COC(C)(C)CNc1ccc(OC(F)F)cn1 94169246 LYBJKHJIUJNCEW-UHFFFAOYSA-N 246.257 2.520 0 40 BFAB CC(=O)Nc1cccc(COc2ccccc2)n1 96190920 XAMVEWAIAJKQBN-UHFFFAOYSA-N 242.278 2.619 0 40 BFAB CC(C)CNc1cncc(Br)c1 96515752 YKLUTSMDQRJSLB-UHFFFAOYSA-N 229.121 2.912 0 40 BFAB CC(=O)N1CC[C@@H](c2cc(C)cc(C)c2)C1 97372167 VVAAUXMUQTYKCB-CYBMUJFWSA-N 217.312 2.639 0 40 BFAB CC[C@H](C)[C@H](N)CN1CC[C@H]2CCCC[C@@H]2C1 108275795 KKIVHKXLMQQSPC-GBJTYRQASA-N 238.419 2.872 0 40 BFAB CSc1ccccc1C(=O)C(F)F 307713017 ZERMSNZHFOHPQK-UHFFFAOYSA-N 202.225 2.856 0 40 BFAB COc1c(F)cc(F)cc1C(=O)C1CCC1 382672805 COSNXDGQQCJZCG-UHFFFAOYSA-N 226.222 2.956 0 40 BFAB Nc1cc(F)ccc1-n1ccc(C(F)F)n1 685936496 BDVVPUNOQKVKMN-UHFFFAOYSA-N 227.189 2.531 0 40 BFAB COc1ccc2nc(O)c(CC(C)C)c(O)c2c1 685936958 DRFKPRUWMNVUSJ-UHFFFAOYSA-N 247.294 2.853 0 40 BFAB Cc1c(-c2ccc(F)cc2)nn(CC2CC2)c1N 1565504699 ZSNFZWWGSSZKEB-UHFFFAOYSA-N 245.301 2.990 0 40 BFAB CC=C1C[C@@H]2CC[C@H](C1)N2C(=O)NC(C)C 1775969178 ACIIZZNQWSCXTH-TXEJJXNPSA-N 222.332 2.678 0 40 BFAB CC[C@@]1(C)Oc2ccc(NC(=O)C3CC3)cc2O1 2492602 XAWHQGWMYDKCIO-AWEZNQCLSA-N 247.294 2.933 0 40 BFAB O=C(c1ccc(CN2CC=CC2)cc1)C1CC1 2514926 HXXCDAIUBDAOCH-UHFFFAOYSA-N 227.307 2.651 0 40 BFAB Cc1ccnc(NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)c1 4044704 QJUPMGBJQLVNIJ-TUAOUCFPSA-N 230.311 2.765 0 40 BFAB C[C@H](OC[C@@H](C)OC[C@@H](C)O)c1ccccc1 4428650 JINFSJZGAKHWFX-UPJWGTAASA-N 238.327 2.550 0 40 BFAB CCCCCC(=O)Nc1ccccc1N 8703393 XDHRYKJFDXWQQW-UHFFFAOYSA-N 206.289 2.788 0 40 BFAB CC[C@H](C)NC(=O)Nc1ccc(OC)cc1 12921798 ZYTJGOKHNZZSDI-VIFPVBQESA-N 222.288 2.615 0 40 BFAB CCC(C)(C)NCc1ccccc1OC 13717924 MQJUCYIDEPLZTN-UHFFFAOYSA-N 207.317 2.973 0 40 BFAB CCOc1ccccc1NC(=O)c1cc(C)no1 14196963 JWLWQASZWFMMPO-UHFFFAOYSA-N 246.266 2.634 0 40 BFAB Cc1cc(C)n(-c2ccc([C@H](C)N)cc2)n1 19872894 ZNGYUSHPBQKISP-NSHDSACASA-N 215.300 2.509 0 40 BFAB in-vitro CCOc1ccccc1[C@@H](C)NCCCOC 20142607 VNSXHFFRFCERMI-GFCCVEGCSA-N 237.343 2.772 0 40 BFAB CC(C)c1ccc([C@H]2C[C@H]2C(=O)O)cc1 31829273 NOGUBTGKXFAAGO-VXGBXAGGSA-N 204.269 2.998 0 40 BFAB in-vitro C[C@@H](c1ccccc1)N(C)C(=O)[C@H]1C[C@H]1C 32721761 SAGUQTRUDGVERG-MDZLAQPJSA-N 217.312 2.862 0 40 BFAB C[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccoc1 32787809 ZVAFQZJUJIITQD-ZYHUDNBSSA-N 221.300 2.930 0 40 BFAB CC(C)C(=O)c1cccnc1Br 38589110 UVBYSNKLUFUAGR-UHFFFAOYSA-N 228.089 2.683 0 40 BFAB COc1ccc2c(c1)CCC[C@@]2(O)C(F)(F)F 43367946 KQQKDNLMXYUGGE-NSHDSACASA-N 246.228 2.781 0 40 BFAB NC[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F 54561812 YYFVHSZMKLORPR-CBAPKCEASA-N 231.217 2.647 0 40 BFAB COC(=O)c1cnc(N2CCCCCC2)cc1C 72223516 UKBQSSNKQIGFIE-UHFFFAOYSA-N 248.326 2.557 0 40 BFAB CC(=O)Nc1ccc2cc(C)cc(O)c2c1 72414147 UNWUYXCEIZRHLK-UHFFFAOYSA-N 215.252 2.812 0 40 BFAB C[C@@H]1CCc2ccccc2N1C(=O)[C@H]1CCCO1 72495975 KUCSYKALFJGRFM-BXUZGUMPSA-N 245.322 2.533 0 40 BFAB Cc1ccc2c(C(F)(F)F)cc(=O)[nH]c2c1 75895408 QABDHFMMMRDZII-UHFFFAOYSA-N 227.185 2.855 0 40 BFAB CC[C@@H](C)C[C@@H](C)NC(=O)NCc1ccncc1 78933101 DOKIXVPNGNBLBC-VXGBXAGGSA-N 249.358 2.706 0 40 BFAB CC[C@@H](C(=O)Nc1ccc(Cl)cc1)N(C)C 84718759 QABZNFMGIOYDSK-NSHDSACASA-N 240.734 2.619 0 40 BFAB COc1cc(Br)cc(C)c1F 90413827 BNLXSNQTRFKATL-UHFFFAOYSA-N 219.053 2.905 0 40 BFAB in-vitro Cc1cc(CN)c(F)cc1C(F)(F)F 91252182 RVXWFCFVRIODHK-UHFFFAOYSA-N 207.170 2.612 0 40 BFAB Cc1cc(CN(C)c2ncccc2Cl)no1 91429255 CCSPVOOYHRQHSS-UHFFFAOYSA-N 237.690 2.668 0 40 BFAB Cc1nc(NC(=O)OC(C)(C)C)cs1 95930243 NNWHAYYMOHDJME-UHFFFAOYSA-N 214.290 2.799 0 40 BFAB C[C@H](NCC(F)(F)F)[C@H]1COc2ccccc21 97112627 WLMHYKNGEVSKHK-WCBMZHEXSA-N 245.244 2.703 0 40 BFAB C[C@H](NC(=O)c1ccncc1)[C@H]1C[C@@H]2CC[C@@H]1C2 100384390 QWPBNHGILXSDPW-OIMNJJJWSA-N 244.338 2.636 0 40 BFAB COC(=O)c1c(Cl)cc(C=O)cc1Cl 114761311 VZPOHDFTNVEFKE-UHFFFAOYSA-N 233.050 2.593 0 40 BFAB Oc1cc(Br)c2cnccc2c1 118875730 SVMOLLGJWZXMCX-UHFFFAOYSA-N 224.057 2.703 0 40 BFAB Cc1cccc(C)c1C[C@@H](OC(C)C)C(=O)O 225032631 QEDXZXNRPILRJL-CYBMUJFWSA-N 236.311 2.724 0 40 BFAB C=C[Si](C)(C)[Sn](C)(C)C 225752867 FUAJCOQVCUPPTL-UHFFFAOYSA-N 249.018 2.837 0 40 BFAB CCn1c(CNC2CC2)ccc1CC(C)C 226020421 DYXKPWPMEHYEJO-UHFFFAOYSA-N 220.360 2.959 0 40 BFAB c1ccc2c(c1)CN(c1nc(C3CC3)ns1)C2 336451428 CMPVNWGDVVLUJP-UHFFFAOYSA-N 243.335 2.936 0 40 BFAB Cc1csc(Nc2ccc(F)cn2)n1 1175847030 XCYSLPSYBRSEOF-UHFFFAOYSA-N 209.249 2.729 0 40 BFAB Cc1cc(C)nc(NCc2ccccc2)n1 324625 MDMLGWSMGIAAIX-UHFFFAOYSA-N 213.284 2.706 0 40 BFAB Cc1cccc(C(=O)Nn2c(C)ccc2C)c1 479751 RWIPKXSLVKVSRA-UHFFFAOYSA-N 228.295 2.797 0 40 BFAB CCOC1=CC(=O)O[C@H](c2ccccc2)C1 1577664 PROSGESLBNKEFD-LBPRGKRZSA-N 218.252 2.595 0 40 BFAB Nc1nc(-c2ccccc2)nc2ccccc12 2506578 AEEMTZOWFJHGNW-UHFFFAOYSA-N 221.263 2.879 0 40 BFAB CC(C)[C@H]1O[C@H]2OCCC[C@@H]2[C@@H](C(C)C)O1 4428905 UJXBOBIXMAERGY-FDYHWXHSSA-N 228.332 2.793 0 40 BFAB CCc1nnc2sc(/C=C/c3ccco3)nn12 4487536 ZPRZTALEHAAFID-AATRIKPKSA-N 246.295 2.512 0 40 BFAB COc1ccccc1C(=O)N1C[C@@H](C)C[C@H](C)C1 5529535 LZFKFZYZMJHVTQ-RYUDHWBXSA-N 247.338 2.813 0 40 BFAB Cc1ccc(Nc2nc(=N)ss2)cc1 5543339 HINZJQULXLYPKN-UHFFFAOYSA-N 223.326 2.736 0 40 BFAB Cc1cc(OC(N)=S)cc(C)c1Cl 6484484 XEXLTZJWQHAEMH-UHFFFAOYSA-N 215.705 2.579 0 40 BFAB CCn1c(C)c(C=O)c2cc(OC)ccc21 6677817 SGCYPGGANRMDOS-UHFFFAOYSA-N 217.268 2.791 0 40 BFAB CCOc1ccc2[nH]c3c(c2c1)CN(C)CC3 8325050 HOMIYTNSSIJCJC-UHFFFAOYSA-N 230.311 2.555 0 40 BFAB Cc1cc(C(=O)Nc2ccc(F)cc2C)on1 8752328 IAFMEZSQQURDPS-UHFFFAOYSA-N 234.230 2.683 0 40 BFAB Cc1cc(NC(=O)N(C)Cc2ccccc2)no1 12593020 IGWCTGKRVNVEGX-UHFFFAOYSA-N 245.282 2.647 0 40 BFAB C[C@@H]1CCCCN1C(=O)NCc1ccccc1 12891867 FVHGZQNBQYFYCZ-GFCCVEGCSA-N 232.327 2.771 0 40 BFAB C[C@@H](Oc1cccc2ccccc12)C(=O)N(C)C 13708817 FDFRQMRTRVUPJD-LLVKDONJSA-N 243.306 2.695 0 40 BFAB CCCC[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C 16125352 RZUVQBCRNRHRSJ-SNVBAGLBSA-N 241.331 2.755 0 40 BFAB CC(C)Cn1cc(C(=O)O)c2ccccc21 20074576 NIWSUEFMFADENR-UHFFFAOYSA-N 217.268 2.996 0 40 BFAB COCc1ccc(-c2ccc(N)cc2)o1 20154450 MVVRXWMGXSYAAP-UHFFFAOYSA-N 203.241 2.675 0 40 BFAB CCn1cc(CNCc2cccc(F)c2)c(C)n1 20349215 PRPKNZBSGIODOH-UHFFFAOYSA-N 247.317 2.640 0 40 BFAB CCN(c1ccc(CN)cn1)C1CCCCC1 22217669 YUCAARAFKJCVRQ-UHFFFAOYSA-N 233.359 2.699 0 40 BFAB O=C1C(O)=C2CCCC=C2N1c1ccccc1 25503521 WTXXWPIUCJHXES-UHFFFAOYSA-N 227.263 2.913 0 40 BFAB Cc1cc(C(=O)N[C@H](C)c2ccccn2)c(C)o1 28781919 VGHSNHARPQKHOR-SNVBAGLBSA-N 244.294 2.782 0 40 BFAB O=C(O)Cc1ccc(-c2ccc(O)cc2)cc1 32222424 SUSAZDLJYMQAEJ-UHFFFAOYSA-N 228.247 2.686 0 40 BFAB O=C(/C=C/c1cccnc1)Nc1cccc(F)c1 36397604 UMYWXISSWBGHDH-VOTSOKGWSA-N 242.253 2.873 0 40 BFAB CC1(C)C[C@H](N)c2ccc(Cl)cc2O1 36720536 JGGLVHFQDFNMNK-VIFPVBQESA-N 211.692 2.901 0 40 BFAB C=CC(=O)N1CCC[C@H]1c1ccsc1 37831697 VLWDVCRXKFMMKW-JTQLQIEISA-N 207.298 2.598 0 40 BFAB O=C(Cc1cccs1)c1ccc2c(c1)OCO2 38126052 MRWQNGUFJWNXFN-UHFFFAOYSA-N 246.287 2.902 0 40 BFAB O=C(NCCSCc1cccs1)C1CC1 40463055 WGWJRXNVJAUJTH-UHFFFAOYSA-N 241.381 2.508 0 40 BFAB O=C(NC1(c2ccccc2)CC1)c1cccnc1 41538388 ADSLEQWGXJNWAE-UHFFFAOYSA-N 238.290 2.501 0 40 BFAB COc1cc(C(=O)C(F)(F)F)ccc1F 43505018 YBSSXHNYQZDSAB-UHFFFAOYSA-N 222.137 2.579 0 40 BFAB CC(C)(C)c1nccc(Br)n1 44117118 XUJUVKJZXXPNFM-UHFFFAOYSA-N 215.094 2.537 0 40 BFAB in-vitro C[C@@H]1NCc2cc(Br)ccc21 44563642 KTUCROBKAQWWPX-LURJTMIESA-N 212.090 2.613 0 40 BFAB in-vitro CC(C)Sc1nnc(-c2cccnc2)o1 44865814 MXQGVCHFDAVGRV-UHFFFAOYSA-N 221.285 2.632 0 40 BFAB CC/C=C(\C)C(=O)NCc1cccc(OC)c1 46042121 LPVDDCAADGMNKR-IZZDOVSWSA-N 233.311 2.668 0 40 BFAB Cc1ccsc1CN(C)C(=O)c1ccccn1 47531779 OLGGZPMZDCWZDB-UHFFFAOYSA-N 246.335 2.724 0 40 BFAB CCc1noc([C@H](C)N(C)Cc2ccoc2C)n1 55082779 XJMJNKRMCCSBMN-VIFPVBQESA-N 249.314 2.726 0 40 BFAB O=C(/C=C/c1ccc(F)cc1)NCC(F)(F)F 58191289 FYRWVCBBRGXUGG-ZZXKWVIFSA-N 247.191 2.517 0 40 BFAB CCCC[C@@H]1CCC[C@H]1NC(=O)NCC 69721585 WGMJPGNUFBEONY-GHMZBOCLSA-N 212.337 2.664 0 40 BFAB Cc1ccn(Cc2ccccc2Cl)c(=O)c1 70040295 GJNBCNBZMGOQOW-UHFFFAOYSA-N 233.698 2.858 0 40 BFAB O=C(NCc1cccc2ccccc12)C1CC1 70250846 JSIGAHIDUQYDCW-UHFFFAOYSA-N 225.291 2.866 0 40 BFAB C[C@@H]1C[C@H]1C(=O)NCc1ccc(F)c(Cl)c1 71853718 LCSKOWQGWZJIGA-VXNVDRBHSA-N 241.693 2.751 0 40 BFAB NC(=O)[C@@H]1C[C@H]1c1c(Cl)cccc1Cl 72406715 CFLBFLXWOILGEH-PHDIDXHHSA-N 230.094 2.582 0 40 BFAB CSc1nsc(NCc2ccccc2)n1 75824812 UIEIKUDWPSVDNZ-UHFFFAOYSA-N 237.353 2.872 0 40 BFAB C[C@H](OC(=O)C=C1CCC1)c1ccccn1 79075451 PXQPOJYSXBVMGL-JTQLQIEISA-N 217.268 2.796 0 40 BFAB NCCc1cc(Cl)ccc1Br 82164086 RJCPZKOMNYTMSU-UHFFFAOYSA-N 234.524 2.604 0 40 BFAB Nc1nonc1-c1cc(Cl)ccc1Cl 89263558 WAGWZRSOJUAIPY-UHFFFAOYSA-N 230.054 2.626 0 40 BFAB Cc1[nH]ccc1C(=O)N1CC[C@@H]2CCCC[C@@H]21 89536749 BZXOJSJAJABOGG-AAEUAGOBSA-N 232.327 2.728 0 40 BFAB CC(=O)N1C[C@H](C)C[C@H]1c1cccc(F)c1 95401960 USMVQQYAXDYDFX-RNCFNFMXSA-N 221.275 2.755 0 40 BFAB CC[C@@H](NC[C@H]1CC=CCC1)c1noc(C)n1 95434076 TWFHNFKRMPQBHT-NWDGAFQWSA-N 235.331 2.775 0 40 BFAB CCc1ccccc1C(=O)C[C@@H](C)CC(=O)O 95634289 MQJYZGWTXAVKLE-SNVBAGLBSA-N 234.295 2.933 0 40 BFAB CCCCNc1ccc(F)c(C(=O)N(C)C)c1 95964630 TUFDIRGJEGYPOG-UHFFFAOYSA-N 238.306 2.740 0 40 BFAB C[C@H]1OCCN(C(=O)C2CCCCCC2)[C@@H]1C 95967981 LDQFGXJJMPERDS-VXGBXAGGSA-N 239.359 2.593 0 40 BFAB CCC(C)(C)C(=O)NCCNc1ccccc1 96436730 VXAWEQLMHHXLJO-UHFFFAOYSA-N 234.343 2.651 0 40 BFAB CCN[C@@H]1CCN(C)Cc2ccc(Cl)cc21 96510456 JPAXYNDVBWVCOP-CYBMUJFWSA-N 238.762 2.826 0 40 BFAB Cc1cccc(N[C@H](C)C[C@@H](O)c2ccco2)n1 97096519 FUMYGTDTCJEEJB-VXGBXAGGSA-N 246.310 2.907 0 40 BFAB O=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)C1CCCCC1 100106817 QLUAISSKUYNJKR-RTXFEEFZSA-N 221.344 2.872 0 40 BFAB CN1[C@@H]2CC[C@@H]1CC(NC1CCCCC1)C2 100142733 WGUYSKWWJNQJSC-ZIAGYGMSSA-N 222.376 2.534 0 40 BFAB Cc1ccnc(NC(=S)NCCC(C)C)c1 225202206 JDJONTDKNMTATB-UHFFFAOYSA-N 237.372 2.723 0 40 BFAB Cc1ccc(N2CCOCC2)c(-n2cccc2)c1 226245999 IOLUVIWYKVUXQB-UHFFFAOYSA-N 242.322 2.622 0 40 BFAB Cl[C@]12C[C@@H]3[C@@H]4C[C@](Cl)(O1)[C@H]1[C@H]4C[C@H]3[C@H]12 245285402 XACQLMSONRGALD-NRAQBCGJSA-N 231.122 2.809 0 40 BFAB CN(C)CC(F)(F)Sc1ccc(N)cc1 256052717 OJQZBXNMJIRNPI-UHFFFAOYSA-N 232.299 2.515 0 40 BFAB CC[C@@H](C)n1nccc1CNc1cc(C)nn1C 256054944 YLGOBMNGLFZDTA-LLVKDONJSA-N 247.346 2.508 0 40 BFAB O=C(O)c1cc2occc2n1-c1ccccc1 504702724 PSQIVMNNTFDBBG-UHFFFAOYSA-N 227.219 2.922 0 40 BFAB Cc1cn(-c2ccccc2N)nc1C(F)F 575441655 YKNCTZVQBXIQRD-UHFFFAOYSA-N 223.226 2.701 0 40 BFAB O=C(Nc1ccccn1)c1ccccc1Cl 242266 MCECBHOZVSWERU-UHFFFAOYSA-N 232.670 2.987 0 40 BFAB biogenic COc1cc2c(cc1O)C(C)=NC(C)(C)C2 2480317 LINKXHWJNLKOEW-UHFFFAOYSA-N 219.284 2.545 0 40 BFAB COc1ccccc1-c1csc(NC(C)=O)n1 4031466 FSYIESNIOKJLPE-UHFFFAOYSA-N 248.307 2.777 0 40 BFAB C[C@@H]1CN=C(N[C@H](C)c2ccccc2)S1 4207737 ZJIQMPFFCHYYLL-NXEZZACHSA-N 220.341 2.829 0 40 BFAB COc1nc2ccccc2cc1-c1noc(C)n1 4717363 RYWJXQIRZOYMBN-UHFFFAOYSA-N 241.250 2.602 0 40 BFAB CN(CC(=O)NC1CCCCC1)c1ccccc1 7589684 OXWMSUOETCPFPR-UHFFFAOYSA-N 246.354 2.572 0 40 BFAB CC[C@@H](C)C(=O)Nc1ccc(Cl)cc1N 8732410 BGSZFVVFAJDGLR-SSDOTTSWSA-N 226.707 2.907 0 40 BFAB C[C@H]1CCc2[nH]c3c(C(=O)O)cccc3c2C1 11757477 YDECTAHOPWOBON-QMMMGPOBSA-N 229.279 2.991 0 40 BFAB in-vitro O=C(O)/C=C\c1ccc(OC2CCCCC2)nc1 12359612 IJXDMGVEYUSJNI-CLFYSBASSA-N 247.294 2.891 0 40 BFAB O=C(NCCc1cccc(Cl)c1)c1ccoc1 12979154 JQIOSDNREABCLC-UHFFFAOYSA-N 249.697 2.906 0 40 BFAB Cc1ccc(F)c(NC(=O)c2ccccc2N)c1 16482567 WBPPHBHPLWOZBF-UHFFFAOYSA-N 244.269 2.969 0 40 BFAB CCn1ccc(NC(=O)/C=C/c2ccccc2)n1 27930053 MGKYGDWCPQJSNN-CMDGGOBGSA-N 241.294 2.555 0 40 BFAB C[C@@H](CNC(=O)c1ccoc1)c1ccccc1 32201630 CKRXGHKGNHDCQK-NSHDSACASA-N 229.279 2.813 0 40 BFAB Cc1ncc(CNC(=O)c2ccccc2C)s1 32611472 AFNQABWVSJHJMR-UHFFFAOYSA-N 246.335 2.690 0 40 BFAB Cc1ccc(NC(=O)OCC(F)(F)F)nc1 32628825 BLQZJTUASUHFDQ-UHFFFAOYSA-N 234.177 2.501 0 40 BFAB in-vitro C[C@H]1C[C@H](C)CN(C(=O)CCc2ccco2)C1 32873686 ACKOZZGUJBSBOI-RYUDHWBXSA-N 235.327 2.717 0 40 BFAB CC(C)CN[C@@H]1CCc2ccccc2C1 34994902 ITOKIOVREYXDHH-CQSZACIVSA-N 203.329 2.790 0 40 BFAB CCOCCN[C@H](C)c1ccccc1F 35151232 KYBSGUGYSPDDGB-SNVBAGLBSA-N 211.280 2.513 0 40 BFAB C[C@H](O)c1ccc(NC(=O)c2ccco2)cc1 35199467 TYLDBYJOSZGQEC-VIFPVBQESA-N 231.251 2.585 0 40 BFAB COCc1cccc(C(=O)N[C@@H](C)C(C)C)c1 36391926 OIHDIPVQVUBMCP-NSHDSACASA-N 235.327 2.607 0 40 BFAB O[C@H](Cn1cccn1)c1ccc2ccccc2c1 44182981 NVGIXJMZIKDAAU-OAHLLOKOSA-N 238.290 2.770 0 40 BFAB Cc1ccc(C(=O)N2C[C@H](C)OC[C@@H]2C)c(C)c1 45523783 AZHVGEDVGQOFLE-STQMWFEESA-N 247.338 2.553 0 40 BFAB Cc1cc(N)cc(C)c1NC(=O)c1ccco1 45889174 ULLHNKKOATWCRH-UHFFFAOYSA-N 230.267 2.731 0 40 BFAB C[C@](O)(COc1ccccc1)c1ccccc1 52097956 DBTYGVNCEVECQD-HNNXBMFYSA-N 228.291 2.973 0 40 BFAB Cc1cc(CNC2CCCC2)c(C)n1C 52789501 MMTVXUTXOKHKSX-UHFFFAOYSA-N 206.333 2.674 0 40 BFAB Cn1cc(C=O)c2c(Br)cccc21 58823865 SRHZOGUMQSGPFW-UHFFFAOYSA-N 238.084 2.753 0 40 BFAB Clc1cc(-n2cccc2)nc(Cl)n1 64033533 ADHYIGNRZORUBL-UHFFFAOYSA-N 214.055 2.574 0 40 BFAB c1ccc(CCN2CCC[C@@H]2c2ccc[nH]2)nc1 69697109 POZQDYMFQQBLNI-OAHLLOKOSA-N 241.338 2.789 0 40 BFAB Cc1ccc(F)cc1NC(=O)c1ccc(F)nc1 69704244 ATTMNVBNDMVARY-UHFFFAOYSA-N 248.232 2.921 0 40 BFAB CC[C@@H](CC1CC1)NC(=O)c1ccnc(F)c1 70103012 QLADUPFBGAHTKH-NSHDSACASA-N 236.290 2.529 0 40 BFAB c1ccc(CN2CCNCC23CCCCC3)cc1 71790343 JJZFRZJBNRNVCG-UHFFFAOYSA-N 244.382 2.795 0 40 BFAB in-vitro Cc1cc([C@H](O)c2ccccc2)cnc1N(C)C 72222068 TVIHNDDOJZQDTB-CQSZACIVSA-N 242.322 2.538 0 40 BFAB CCOc1ccc([C@H](O)c2ccccc2)c(C)n1 72224175 SRSXONGXGCZCBB-OAHLLOKOSA-N 243.306 2.870 0 40 BFAB C[C@@H](N)c1ccc(N(C)Cc2ccccc2)nc1 72225374 DTIYWMLQZYEJDB-GFCCVEGCSA-N 241.338 2.738 0 40 BFAB CC[C@H]1CCCCN1Cc1cccnc1 72260275 NFKYWAXODRBKCE-ZDUSSCGKSA-N 204.317 2.846 0 40 BFAB CCc1cccc2cc3c(nc12)O[C@@H](C)CNC3 72392277 HKTZEJCBDIVEIO-JTQLQIEISA-N 242.322 2.668 0 40 BFAB NCc1c(Br)ccc(Cl)c1F 75915311 SXVGXCQGKFGXJD-UHFFFAOYSA-N 238.487 2.700 0 40 BFAB CO[C@@H]1CCCC[C@@H]1CCNCC(C)C 85396100 GYEVVIUNKGVKDY-CHWSQXEVSA-N 213.365 2.827 0 40 BFAB Cc1cc(Cn2ccc3ccccc32)on1 90411653 FPZFIAHARAHNDG-UHFFFAOYSA-N 212.252 2.986 0 40 BFAB CSc1cccc(C2([C@H](C)O)CC2)c1 95739183 KMNOSNFZFKVRBA-VIFPVBQESA-N 208.326 2.821 0 40 BFAB Cc1cc(C)c(Br)c(C(=O)O)c1 95829341 VPNWKPSTJOTTHA-UHFFFAOYSA-N 229.073 2.764 0 40 BFAB in-vitro Fc1ccc(CCN[C@@H]2CCSC2)c(F)c1 95967921 RMMZPHSPGHDRAI-LLVKDONJSA-N 243.322 2.602 0 40 BFAB Cc1occc1SCC(=O)NC1CCCC1 96003396 GYLWZABCCQPKAC-UHFFFAOYSA-N 239.340 2.739 0 40 BFAB CC(C)Sc1ccccc1NC(N)=O 98020380 JMNHFNZOQMCQHZ-UHFFFAOYSA-N 210.302 2.678 0 40 BFAB CCCCc1nc2c(O)ccc(O)c2nc1C 104115707 UIVLZJJCTQVOJL-UHFFFAOYSA-N 232.283 2.692 0 40 BFAB OCc1cc(Cl)c(F)cc1Br 147273640 DGFUFECBSFOYID-UHFFFAOYSA-N 239.471 2.734 0 40 BFAB C[C@H](NN)c1cccc(Cl)c1Cl 161775824 QZMMZXHYRGUEHK-YFKPBYRVSA-N 205.088 2.518 0 40 BFAB CCN(c1cccc(Cl)c1C)[C@@H](C)C(=O)O 224991298 CLPKIVKBHKMPQQ-VIFPVBQESA-N 241.718 2.948 0 40 BFAB Brc1cccc2c1NC[C@@H]1C[C@@H]21 225812264 PEEUHBCOALDYJS-POYBYMJQSA-N 224.101 2.978 0 40 BFAB Fc1ccc(-c2cncc([C@@H]3CCCN3)n2)cc1 616576157 RWVWXSBZSHWLDB-LBPRGKRZSA-N 243.285 2.707 0 40 BFAB COc1ccc2nc(OC(C)C)c(N)cc2c1 685938808 ZAHAAELRWRBNAW-UHFFFAOYSA-N 232.283 2.613 0 40 BFAB FC(F)(F)C1(c2cccc3[nH]ncc23)N=N1 1504244825 JJJWKQLOFXTFMA-UHFFFAOYSA-N 226.161 2.744 0 40 BFAB Cc1ncnc(Nc2ccccc2)c1F 1888864138 XUDXDLDZSRNSQT-UHFFFAOYSA-N 203.220 2.668 0 40 BFAB O=C(CCc1ccccc1)Nc1nccs1 383449 ZKZXZGXDSQTZDR-UHFFFAOYSA-N 232.308 2.714 0 40 BFAB O=C(O)[C@@H]1CCCC[C@H]1C(=O)Nc1ccccc1 397877 CMLOGIAOLIBOQF-VXGBXAGGSA-N 247.294 2.516 0 40 BFAB COC(=O)c1cccc2c1Cc1cc(N)ccc1-2 1638398 NALHFDFMADYFOB-UHFFFAOYSA-N 239.274 2.627 0 40 BFAB CCCc1nc2c(OC)ccc(OC)c2nc1C 1734444 REMZGQALRAUAEP-UHFFFAOYSA-N 246.310 2.908 0 40 BFAB Nc1ncnc2sc(-c3ccccc3)cc12 1925535 FKGPFCMBLZTYRT-UHFFFAOYSA-N 227.292 2.941 0 40 BFAB COc1ccc2cc([C@H](C)CO)ccc2c1 2013137 LTRANDSQVZFZDG-SNVBAGLBSA-N 216.280 2.944 0 40 BFAB biogenic,in-man Brc1c[nH]cc1Br 2518962 REBMNRMQTSWMMI-UHFFFAOYSA-N 224.883 2.540 0 40 BFAB Cc1ccc(-c2csc(CCN)n2)cc1 4475550 HXFLMFIMGWTIIU-UHFFFAOYSA-N 218.325 2.620 0 40 BFAB Cc1nc2cc3[nH]c(C(F)(F)F)nc3cc2[nH]1 8684679 JAEVGTNIGRKNBP-UHFFFAOYSA-N 240.188 2.766 0 40 BFAB CCNCc1csc(-c2cccs2)n1 19737054 VOZMWLDXADPAHC-UHFFFAOYSA-N 224.354 2.981 0 40 BFAB Cc1nc(C(=O)Nc2cc(F)ccc2F)co1 22538573 SKZPDJJYYHERTL-UHFFFAOYSA-N 238.193 2.514 0 40 BFAB Cc1cc([C@H](C)NC(=O)C2CC2)c(C)s1 36393792 WYGURUUZGKJLNH-QMMMGPOBSA-N 223.341 2.952 0 40 BFAB C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1 36673386 UBPNZKDCPIULKA-KCJUWKMLSA-N 245.244 2.755 0 40 BFAB in-vitro C[C@@H](Nc1nc2ccccc2o1)[C@@H]1CCCO1 37998869 QBGNQXMVEOBHOP-KOLCDFICSA-N 232.283 2.807 0 40 BFAB CC(C)Cc1noc(CN2CCC(C)CC2)n1 42666293 NAORYWXLACBVQM-UHFFFAOYSA-N 237.347 2.500 0 40 BFAB Cc1ccc([C@@H](N)CC(=O)O)c2ccccc12 44216435 GYBKJAOPTAJRMT-ZDUSSCGKSA-N 229.279 2.623 0 40 BFAB Cc1cccc(C(=O)c2ccc(F)c(F)c2)n1 45028504 AXESYJCCSKRVDF-UHFFFAOYSA-N 233.217 2.899 0 40 BFAB COC(=O)c1cc(Cl)c2c(c1)C=CCO2 47844963 OYVDYEPXOJUVMX-UHFFFAOYSA-N 224.643 2.532 0 40 BFAB Brc1ccc(C[C@H]2CCNC2)cc1 57955544 SKTDQMROVIRPEQ-SNVBAGLBSA-N 240.144 2.601 0 40 BFAB in-vitro CCCC(=O)Nc1ccc2nc(N)sc2c1 59349858 FXRNVMFVPLXJMB-UHFFFAOYSA-N 235.312 2.617 0 40 BFAB O=C(N[C@@H]1CC[C@H](F)C1)OCc1ccccc1 66351529 NDVBOSIQTJVVNB-NWDGAFQWSA-N 237.274 2.803 0 40 BFAB N[C@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 70501255 GJWFOQIKVTZEPM-ZJUUUORDSA-N 215.300 2.548 0 40 BFAB O=C(CCC(F)(F)F)c1cccnc1 70915012 ANQVODXCSVSYRE-UHFFFAOYSA-N 203.163 2.607 0 40 BFAB CSC[C@@H](C)OC(=O)c1cccnc1Cl 79014809 LXLTYLVUGWVYNQ-SSDOTTSWSA-N 245.731 2.643 0 40 BFAB CC(=O)c1cc(F)c(F)cc1Br 82048746 QNZFTJBOPKZSKH-UHFFFAOYSA-N 235.027 2.930 0 40 BFAB C[C@@H]1CCC(=O)[C@@H](Cc2ccccn2)C1 86355132 XDHBCLWRQHBOKK-GHMZBOCLSA-N 203.285 2.629 0 40 BFAB Cc1cc(C)nc(-n2c(C)nc3ccccc32)n1 94166102 AOIKISIIHANNRH-UHFFFAOYSA-N 238.294 2.741 0 40 BFAB CC(=O)N[C@H](Cc1ccccc1)C(C)(C)C 95959981 DSJDTLINJDZEII-CYBMUJFWSA-N 219.328 2.780 0 40 BFAB Nc1cccc2[nH]cc(Br)c12 96529994 STDNUIUWWFQJLD-UHFFFAOYSA-N 211.062 2.513 0 40 BFAB COc1cccc([C@H](C)N[C@@]2(C)CCOC2)c1 97038562 WIADIDWOFLZPIB-FZMZJTMJSA-N 235.327 2.525 0 40 BFAB Cc1cc(O)n(-c2ccc(Cl)cc2)n1 100072424 OXVRRVVTDOIBSI-UHFFFAOYSA-N 208.648 2.540 0 40 BFAB COc1ccccc1-n1nc(C(C)(C)C)cc1O 102003822 COOVJKRUIQSYLF-UHFFFAOYSA-N 246.310 2.884 0 40 BFAB CC[C@@H](NN)c1cc(C(F)(F)F)ccc1F 161801153 FIWLBFQOJVLIFS-SECBINFHSA-N 236.212 2.759 0 40 BFAB CCOC(=O)c1cc(N)sc1C(F)(F)F 252484153 FQBNHRLDMOUEFU-UHFFFAOYSA-N 239.218 2.526 0 40 BFAB CCn1cc(Br)c(COC(C)C)n1 408716118 JCXOGVLZMIEMCH-UHFFFAOYSA-N 247.136 2.591 0 40 BFAB Cc1cn(-c2ccc(F)cc2N)nc1C(F)F 575441656 YMWGUZOVMZRTEE-UHFFFAOYSA-N 241.216 2.840 0 40 BFAB Cc1cnc([C@@H](C)N2Cc3ccccc3CO2)o1 640127911 VJBGTRFPZNBLIN-LLVKDONJSA-N 244.294 2.991 0 40 BFAB FC1(CNc2ccc3c(c2)CCOC3)CC1 657681103 PBNJQMOOWKLBOL-UHFFFAOYSA-N 221.275 2.673 0 40 BFAB Cc1ccc(C(=O)c2ccccc2N)cc1 394655 RMMJUQSANCPTMV-UHFFFAOYSA-N 211.264 2.808 0 40 BFAB in-vitro Cc1ccc(-c2csc(NC(N)=O)n2)cc1 1415161 BFZFMPZHOTUDCE-UHFFFAOYSA-N 233.296 2.609 0 40 BFAB Cc1cccc(NC(=O)c2ccccn2)c1C 3482123 WKSHRCZDRCYJIW-UHFFFAOYSA-N 226.279 2.951 0 40 BFAB CCOC[C@H]1C(=O)[C@]2(C)CC[C@H]1C2(C)C 3845474 SMFWSVXVEULEDG-BREBYQMCSA-N 210.317 2.664 0 40 BFAB CCCNC(=O)/C=C/c1ccc(C)cc1 5468505 GBKVECMCGHYNJS-CMDGGOBGSA-N 203.285 2.534 0 40 BFAB COc1ccc2c3c(c(C(=O)O)oc13)CCC2 5813045 AZAWXPBQFQOALS-UHFFFAOYSA-N 232.235 2.628 0 40 BFAB Cn1c(-c2c[nH]c3ccccc23)n[nH]c1=S 6083208 FYKQPEUHIODMES-UHFFFAOYSA-N 230.296 2.626 0 40 BFAB CCC(C)(C)C(=O)Nc1cccc(N)c1C 8703441 VGASKGUJQAVTEN-UHFFFAOYSA-N 220.316 2.952 0 40 BFAB CCC[C@@H](Oc1cc(C)ccc1C)C(=O)O 8730643 DQVHWOYGGWPKQE-LLVKDONJSA-N 222.284 2.936 0 40 BFAB CCN1C(=O)S/C(=C/Nc2ccccc2)C1=O 12341843 PVGWHHNCDLILBX-CSKARUKUSA-N 248.307 2.655 0 40 BFAB Nc1nccc(-c2ccc(C(F)(F)F)cc2)n1 12374717 OLQCITONQLPHLF-UHFFFAOYSA-N 239.200 2.745 0 40 BFAB CCCCC[C@@H]1[C@H](O)CC[C@@H]1CC(=O)OC 12491141 DZWZEZICFCEJOT-GRYCIOLGSA-N 228.332 2.517 0 40 BFAB biogenic CCc1cccc(OC[C@@H]2CCCNC2)c1 14631229 QZIVGXIGNUNBSW-CYBMUJFWSA-N 219.328 2.627 0 40 BFAB c1ccc(COCC[C@@H]2CCCNC2)cc1 14632354 QBESGRLEWGZRJQ-ZDUSSCGKSA-N 219.328 2.593 0 40 BFAB CC(=O)c1ccc2cccc3nc[nH]c1c23 18100276 QMVJZVGSCWOBAV-UHFFFAOYSA-N 210.236 2.919 0 40 BFAB O=C(O)[C@H](c1ccc(Cl)cc1)C1CC1 19726473 FCBCYACIDMQJTN-JTQLQIEISA-N 210.660 2.918 0 40 BFAB in-vitro CC[C@H]1CCCCN1CC[C@@H]1CCCCN1 20180480 JPRFWBGCRQMGHE-KBPBESRZSA-N 224.392 2.783 0 40 BFAB NC(=O)c1ccccc1OCc1cccc(F)c1 23641741 XIGQTCGRXAXIRF-UHFFFAOYSA-N 245.253 2.504 0 40 BFAB CC(C)(C)C(=O)Nc1ccc2c(c1)CCO2 30371222 YTFPCHNGEZXJNK-UHFFFAOYSA-N 219.284 2.606 0 40 BFAB CCCCC[C@H](O)CCCC(=O)OCC 34099367 JZHPHZPSKLWKPM-NSHDSACASA-N 216.321 2.661 0 40 BFAB Oc1nc(=S)[nH]c2cc(-c3ccccc3)[nH]c12 34434393 LZZXYDOPESJDGI-UHFFFAOYSA-N 243.291 2.993 0 40 BFAB CNCc1cc(-c2ccccc2Cl)on1 35655536 GPHHNFCJFGNVRY-UHFFFAOYSA-N 222.675 2.714 0 40 BFAB Fc1ccc(F)c(NC2CCOCC2)c1 36303899 YIJYHPWDAGQGRU-UHFFFAOYSA-N 213.227 2.556 0 40 BFAB O=C(NCCc1ccccc1F)C1CCCC1 36396975 YJXHZKXLYMSCMC-UHFFFAOYSA-N 235.302 2.675 0 40 BFAB CC(C)(C)c1cccc2c1OCC[C@@H]2N 36928677 FNOIBLQXMSCOST-NSHDSACASA-N 205.301 2.766 0 40 BFAB O=C(O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 37380874 IBXCFDILOTYDLI-IUCAKERBSA-N 230.185 2.894 0 40 BFAB CC(C)(C)OC(=O)Nc1ncccc1F 39093647 SHMPLWCLJNZJLA-UHFFFAOYSA-N 212.224 2.568 0 40 BFAB COc1ccc(F)cc1-c1cncc(C=O)c1 39927580 VCMFGHPVWJNECH-UHFFFAOYSA-N 231.226 2.709 0 40 BFAB CCOCCCn1c([C@H](C)O)nc2ccccc21 40163896 BERCSAVOVTUCOX-NSHDSACASA-N 248.326 2.516 0 40 BFAB Cc1ccc(C)c([C@H](O)c2ccco2)c1 40248432 LDHUGVABLIDAKU-ZDUSSCGKSA-N 202.253 2.978 0 40 BFAB O=C(CCc1cccc(F)c1)NCc1ccco1 40476633 NHPFEEGJEHZRDW-UHFFFAOYSA-N 247.269 2.668 0 40 BFAB O=C(CC(F)(F)F)NCCC1=CCCCC1 40490331 KJGPRWXPUJJKJC-UHFFFAOYSA-N 235.249 2.946 0 40 BFAB C[C@@H]1CCCCN1Cc1nnc(C(C)(C)C)o1 46837890 LLWIOIXXFXGGNC-SNVBAGLBSA-N 237.347 2.742 0 40 BFAB CC(C)=CCN(C)Cc1ccc2c(c1)OCO2 48374154 LLEFIKVCIJRKPQ-UHFFFAOYSA-N 233.311 2.813 0 40 BFAB COc1ccc(CN(C)CCOC(C)C)cc1 52927559 VXHKHBLUBIDWML-UHFFFAOYSA-N 237.343 2.552 0 40 BFAB CNC[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 54588452 UIVWDSBDSZGDDA-ONGXEEELSA-N 245.244 2.908 0 40 BFAB CC[C@H]1CCCCN1Cc1nnc(C(C)C)o1 60372797 CMXUFZBESPVELM-NSHDSACASA-N 237.347 2.958 0 40 BFAB CCCN1CCC[C@@H]1c1ccc(S)nc1 72217002 OWPXPLBKFVXWOZ-LLVKDONJSA-N 222.357 2.917 0 40 BFAB O=C(O)c1[nH]nc(C2CC2)c1C1CCCC1 72220438 GSBLRSRXNAUEEZ-UHFFFAOYSA-N 220.272 2.643 0 40 BFAB O=C(CCCc1ccccc1)Nc1cnoc1 75170825 HUHAULPWUDYURK-UHFFFAOYSA-N 230.267 2.636 0 40 BFAB COc1cccc(Nc2ncnc3[nH]ccc23)c1 77874472 QAFMZWOWUHHJTA-UHFFFAOYSA-N 240.266 2.710 0 40 BFAB CC(C)c1ccc(NC(=O)c2ncc[nH]2)cc1 82266870 PCDPIHCFTMPPGY-UHFFFAOYSA-N 229.283 2.785 0 40 BFAB CC1(C)C(=O)Nc2c(Br)cccc21 82608024 ZRYMHHQESIFOLE-UHFFFAOYSA-N 240.100 2.679 0 40 BFAB CC(=O)CCC[C@H](C)CO[C@H]1CCCCO1 83291740 QATYWYWXGPNTNI-AAEUAGOBSA-N 228.332 2.925 0 40 BFAB CC(C)S[C@@H](C)C(=O)NCc1cccs1 84622352 SUGVWXYPUSNHLV-VIFPVBQESA-N 243.397 2.894 0 40 BFAB Cc1ccc(N)c(N2CCCC[C@@H]2C)c1 87149394 HBSZEAQMHPLDIC-NSHDSACASA-N 204.317 2.956 0 40 BFAB C[S@](=N)(=O)c1cccc2ccccc12 88462990 NUNLJANZQLWRMF-AWEZNQCLSA-N 205.282 2.875 0 40 BFAB CO[C@@H](c1cccc(N)c1)C(F)(F)F 90514767 MDTSXKRJXZROCS-QMMMGPOBSA-N 205.179 2.519 0 40 BFAB Cc1ccccc1[C@H](O)CCC1OCCCO1 95728574 GNIBHKCLCWOUHI-CYBMUJFWSA-N 236.311 2.572 0 40 BFAB NC[C@@H]1COc2c(Cl)cc(Cl)cc2C1 95743786 JNNBPNPIJUTADF-ZCFIWIBFSA-N 232.110 2.503 0 40 BFAB O[C@H]1CCC[C@@H]1Nc1ccnc2ccccc12 97104639 VAGTXXWHWCUVPC-KBPBESRZSA-N 228.295 2.560 0 40 BFAB CCCc1csc(N2CCSCC2)n1 98012657 DFGIHSRXDFYAAA-UHFFFAOYSA-N 228.386 2.649 0 40 BFAB CC1(C)[C@@H]2CC[C@]1(CS(O)(O)O)C(=O)C2 101034996 AOHRENLQCLCQJO-XCBNKYQSSA-N 234.317 2.605 0 40 BFAB Cc1ccc(C)c([C@@H](O)c2ccc(N)cc2)c1 226292792 KQKKUVYVRGQYES-HNNXBMFYSA-N 227.307 2.967 0 40 BFAB CC(C)Nc1ncc(Br)cc1F 232711111 FVTKPXSXWYKDQX-UHFFFAOYSA-N 233.084 2.804 0 40 BFAB Cc1cc(C)nc(C(=O)C2CCCCC2)n1 239562648 IFGXEBFMVJVIGO-UHFFFAOYSA-N 218.300 2.856 0 40 BFAB CC(C)n1ccnc1[C@H]1CNCc2ccccc21 306125755 DBLIDZJXRLPCHV-AWEZNQCLSA-N 241.338 2.699 0 40 BFAB CCCCCc1ccc(C(=O)CO)cc1 953013616 YPANJOBYMXZNQK-UHFFFAOYSA-N 206.285 2.594 0 40 BFAB COc1cccc(C(=O)Nc2ccc(C)cn2)c1 362259 IFKGEIFGHDYCRJ-UHFFFAOYSA-N 242.278 2.651 0 40 BFAB Cc1cc(NC(=O)c2sccc2C)no1 1002472 KQMHEALTQJCGFD-UHFFFAOYSA-N 222.269 2.605 0 40 BFAB CCOC(=O)[C@H](CC1CCCCC1)C(C)=O 1621891 BHRDSMFTTKGJGW-GFCCVEGCSA-N 226.316 2.725 0 40 BFAB CC(C)C[C@H](C)NC(=O)COc1ccccc1 2065855 ZHMVUQYGYFVSON-LBPRGKRZSA-N 235.327 2.616 0 40 BFAB O=c1cc(O)[nH]c2c(Cl)ccc(Cl)c12 2551996 XFJWQXAGOXFCIL-UHFFFAOYSA-N 230.050 2.541 0 40 BFAB CCC(=O)OC(C)(C)C1CCC(C)(O)CC1 2558677 MTGDOFFFLRHWKO-UHFFFAOYSA-N 228.332 2.659 0 40 BFAB CCCN(CCC)C[C@H](O)c1ccccc1 3312223 PFMMVNKSAHHLEK-AWEZNQCLSA-N 221.344 2.842 0 40 BFAB FCCCSc1nnc(-c2ccncc2)o1 4050226 XSDUSRHKTLGTCP-UHFFFAOYSA-N 239.275 2.583 0 40 BFAB O=C(O)Cn1c2c(c3cc(F)ccc31)CCCC2 4973291 ZKLIJPUNXYUOET-UHFFFAOYSA-N 247.269 2.744 0 40 BFAB Cc1cc(C)c2c(c1)c(C=O)c(C)n2C 6677774 TXIBTXYJSUNNKP-UHFFFAOYSA-N 201.269 2.916 0 40 BFAB O=C(O)c1cnc(Nc2ccc(Cl)cc2)nc1 8730959 BEFILNAEPHDWPF-UHFFFAOYSA-N 249.657 2.572 0 40 BFAB C[C@H]1CCCN(CCOc2cccc(C=O)c2)C1 9261375 PXOZTEYWXOHVGT-ZDUSSCGKSA-N 247.338 2.610 0 40 BFAB C[C@@H]1C[C@H]1C(=O)Nc1cccc2cccnc12 12972113 PIEGJDNAXPKJAG-MWLCHTKSSA-N 226.279 2.829 0 40 BFAB CCCOc1ccc(/C=C/[N+](=O)[O-])cc1OC 16757483 QWOHBYDMJLFLNY-VOTSOKGWSA-N 237.255 2.731 0 40 BFAB Cc1cccc(C(=O)N(C)[C@H](C)C2CC2)c1 32907048 WXFPDCJDOKEJSD-LLVKDONJSA-N 217.312 2.866 0 40 BFAB CC[C@@H](NC(C)=O)c1ccc(Cl)cc1 34583608 VZZPTNWICPVWEE-LLVKDONJSA-N 211.692 2.927 0 40 BFAB OCc1cncc(-c2ccccc2Cl)c1 35630040 LIBXGSZDVDXNDT-UHFFFAOYSA-N 219.671 2.894 0 40 BFAB Cc1cc(NCc2cccs2)nc(C)n1 37498688 AYLFWTOBXVVFIB-UHFFFAOYSA-N 219.313 2.767 0 40 BFAB CC(=O)c1csc(NC(=O)OC(C)(C)C)n1 39123798 XLXRHVZJLDCZJE-UHFFFAOYSA-N 242.300 2.693 0 40 BFAB Cc1csc(SC[C@H]2CCCNC2)n1 43471672 TTXSRCDTILAIEW-VIFPVBQESA-N 228.386 2.543 0 40 BFAB NC1CC(c2ccc(F)c(Br)c2)C1 50225010 XRDMAGBKLUFYSN-UHFFFAOYSA-N 244.107 2.793 0 40 BFAB CSCCC(=O)c1ccc2c(c1)CCO2 69984187 OZVVTSZWSGAKSA-UHFFFAOYSA-N 222.309 2.557 0 40 BFAB CC(C)OC(=O)c1cc(Cl)ccc1O 70287132 IJPJMISTYXZGDS-UHFFFAOYSA-N 214.648 2.611 0 40 BFAB Nc1nc(-c2cccc3ncccc23)cs1 72207332 KLTSHYMIAPSLPK-UHFFFAOYSA-N 227.292 2.941 0 40 BFAB Nc1nccc([C@H]2CCCN2C2CCCCC2)n1 72356838 WWFIJWCOKDTZFK-CYBMUJFWSA-N 246.358 2.528 0 40 BFAB Cc1cc(C2CCN(C(C)C)CC2)ccn1 72356955 UGECPKVQULQRSZ-UHFFFAOYSA-N 218.344 2.978 0 40 BFAB N[C@@H]1CCCC[C@@H]1NCc1cccc(Cl)c1 72411152 JHYUHPXZSRIESE-OLZOCXBDSA-N 238.762 2.700 0 40 BFAB CN1CCC[C@H](CN)[C@H]1c1cccc(Cl)c1 82328950 QEZHRHPXKIVCHH-DGCLKSJQSA-N 238.762 2.682 0 40 BFAB in-vitro CCc1sc(C(=O)OC)cc1Br 85393193 GBZATYVKYTZPGH-UHFFFAOYSA-N 249.129 2.860 0 40 BFAB CNC1CC(c2ccc(Cl)s2)C1 87199644 GUAIXJCOMOTNNH-UHFFFAOYSA-N 201.722 2.867 0 40 BFAB CC(C)(C)OC(=O)c1cc2[nH]ccc2cn1 89220848 NBGALJPEMXDOKH-UHFFFAOYSA-N 218.256 2.518 0 40 BFAB CCC[C@H](O)[C@@H]1CCCN[C@@H]1c1ccccc1 95095233 QQUXYJDNGLNLKL-SOUVJXGZSA-N 233.355 2.888 0 40 BFAB Cc1c(NCCO)cccc1OC1CCCC1 96461164 LOMYXISPQAOKIN-UHFFFAOYSA-N 235.327 2.721 0 40 BFAB CCCCN(Cc1ccco1)C[C@@H]1CCCN1 96523686 FISRILISDWSLIO-ZDUSSCGKSA-N 236.359 2.634 0 40 BFAB CCOC(=O)c1ccc(C)nc1C(F)(F)F 149228700 YZXBWNUXCINSJB-UHFFFAOYSA-N 233.189 2.586 0 40 BFAB CCCCC[S@](=O)c1ccccc1OC 191181462 JSJBFZUCSXEQHF-HNNXBMFYSA-N 226.341 2.993 0 40 BFAB CNCCCNc1cc(C)nc2ccc(C)cc12 222684642 NTTSINQXXDLTMB-UHFFFAOYSA-N 243.354 2.873 0 40 BFAB CC(C)C[C@H](CO)N[C@H]1CCCC[C@H]1C 238854574 OKNJQBIBUICFJW-UPJWGTAASA-N 213.365 2.562 0 40 BFAB FC1(F)CC(COc2ncc(Cl)cn2)C1 585651190 LHQHIZBLMXSDLC-UHFFFAOYSA-N 234.633 2.554 0 40 BFAB O=C(Cc1ccccc1)OCC1CCC1 670431824 IRPFLZYCQCHQJO-UHFFFAOYSA-N 204.269 2.572 0 40 BFAB COc1cccc2nc(O)c(CC(C)C)c(O)c12 685937190 LYNHWGWNASCUTN-UHFFFAOYSA-N 247.294 2.853 0 40 BFAB Cc1ccc(N)c2c3c4n(c12)CCN[C@@H]4CCC3 287011 KAOVDZKFRPBLAI-GFCCVEGCSA-N 241.338 2.513 0 40 BFAB COc1ccccc1C(=O)Nc1ncc(C)s1 311652 YIRMDWIHDRPEPO-UHFFFAOYSA-N 248.307 2.712 0 40 BFAB CCCOCc1ccc(O)c2ncccc12 2269592 DQZHKQYVEGZFRE-UHFFFAOYSA-N 217.268 2.867 0 40 BFAB Cc1cc2ccccn2c1C(=O)c1cccnc1 3342659 SXYDYYKZXHIRKW-UHFFFAOYSA-N 236.274 2.874 0 40 BFAB O=C(c1sccc1-n1cccc1)N1CCCC1 3958810 VMAGHUFMZMLPJB-UHFFFAOYSA-N 246.335 2.775 0 40 BFAB O=C(CCc1cccs1)Nc1nccs1 4540145 QLXVTZMKVXBLCW-UHFFFAOYSA-N 238.337 2.776 0 40 BFAB CCc1nccn1C(=O)Nc1ccccc1 6160404 ZTFNOJOVUXMXNK-UHFFFAOYSA-N 215.256 2.526 0 40 BFAB C[C@H]1CC[C@H](C)N1c1ccc(C(=O)O)cc1 8703806 TYXOTKZZMKKKBH-UWVGGRQHSA-N 219.284 2.762 0 40 BFAB CC1CCN(Cc2cccc(N)c2)CC1 11850575 DXYGLOWTZPDQEK-UHFFFAOYSA-N 204.317 2.501 0 40 BFAB CCn1nc(C)cc1NC(=O)c1cccc(F)c1 13656430 SCVHSQFCCJMRMY-UHFFFAOYSA-N 247.273 2.603 0 40 BFAB Cc1nnc2sc(/C=C/c3cccs3)nn12 13735026 CMRYVSXXJPTMGS-SNAWJCMRSA-N 248.336 2.726 0 40 BFAB CCC[C@@H](Oc1cccc(Cl)c1)C(=O)O 15418140 GCABZLBHCQNGQF-SNVBAGLBSA-N 228.675 2.972 0 40 BFAB CCn1c(S)nnc1-c1sccc1C 16970925 VHNFABZJQKPVTF-UHFFFAOYSA-N 225.342 2.624 0 40 BFAB CCOc1cc(CN[C@H](C)CC)ccc1O 19881868 GLQBBKNOTXGDDQ-SNVBAGLBSA-N 223.316 2.679 0 40 BFAB CC[C@H](C)[C@@H](N)c1ccc2c(c1)OCCCO2 19968029 HUSRCLWUPIDYKW-IINYFYTJSA-N 235.327 2.894 0 40 BFAB CC(=O)CCc1c[nH]c2ccc(F)cc12 20269289 FGOQAXTVQABZFK-UHFFFAOYSA-N 205.232 2.829 0 40 BFAB CCN(Cc1ccncc1)C(=O)CC(C)(C)C 20495844 GLVUFRNJAJVSSA-UHFFFAOYSA-N 234.343 2.866 0 40 BFAB C[C@@H]1CCCCN1CCCNc1ccccn1 20563552 POPCONBJMDKGOL-CYBMUJFWSA-N 233.359 2.758 0 40 BFAB COc1ccc(Cn2c(C)cnc2Cl)cc1 22126269 BBPRTLGQWFNTEX-UHFFFAOYSA-N 236.702 2.902 0 40 BFAB CCn1nc(C)cc1NC(=O)c1cc(C)oc1C 28305674 WGFAZQGJCMGOBR-UHFFFAOYSA-N 247.298 2.674 0 40 BFAB Clc1ccccc1COC[C@@H]1CCCNC1 28521954 BDKHTHDZPCGIGI-LLVKDONJSA-N 239.746 2.856 0 40 BFAB C[C@@H](C(=O)N(C)C1CCCCCC1)n1cccn1 32769208 GPJCDDJNAISIML-LBPRGKRZSA-N 249.358 2.625 0 40 BFAB C[C@H]1C[C@@H](C)CN(C(=O)CCc2ccco2)C1 32873685 ACKOZZGUJBSBOI-TXEJJXNPSA-N 235.327 2.717 0 40 BFAB Nc1ccc(Cl)c(NC(=O)c2ccccn2)c1 36737707 CWBVZQWBOSDZOK-UHFFFAOYSA-N 247.685 2.570 0 40 BFAB CCOCCCNc1cccc(Cl)n1 42784012 QBKSAWLGRWGXOQ-UHFFFAOYSA-N 214.696 2.574 0 40 BFAB O=[S@](c1ccccc1Cl)C(F)(F)F 71777372 XKJYSAQYZJTLLB-ZDUSSCGKSA-N 228.622 2.967 0 40 BFAB CC(C)CN1CCC[C@H]1c1ccncc1 72211034 AZFOIOPEINNATJ-ZDUSSCGKSA-N 204.317 2.875 0 40 BFAB CCN1CCC[C@H]1c1ccc(NC)nc1C 72219092 BUDQDZGCLPKJLJ-LBPRGKRZSA-N 219.332 2.589 0 40 BFAB O=C(O)c1nnc(-c2ccccc2Cl)s1 83339411 MYEIJXFYPPSZJW-UHFFFAOYSA-N 240.671 2.557 0 40 BFAB C[C@H](CC(=O)N1CCCC1)c1cccc(F)c1 89894511 AZVBDKWJPVQAAQ-LLVKDONJSA-N 235.302 2.942 0 40 BFAB O[C@H]1CCC[C@@H]1c1cc(F)c(F)c(F)c1 95729017 CMEDCFNGNXXZJI-XCBNKYQSSA-N 216.202 2.732 0 40 BFAB CC(=O)c1cc(C(=O)OC2CCCCC2)n(C)c1 95972204 MDVQLCCGVAESKM-UHFFFAOYSA-N 249.310 2.717 0 40 BFAB CC1CCC(CNC[C@@H](C)C[C@@H](C)O)CC1 95978507 ULFXDZSTINBTEH-YIFLHPOLSA-N 227.392 2.809 0 40 BFAB CCN(CCCC(=O)O)c1ccc(C)cc1C 157761570 LLCYGRLCBWJMLV-UHFFFAOYSA-N 235.327 2.995 0 40 BFAB CC[C@H](C)NC(=O)c1conc1-c1ccccc1 225870475 WRQMCNSIKOUABC-JTQLQIEISA-N 244.294 2.870 0 40 BFAB CCn1cc(NCc2ccc(OC)cc2)c(C)n1 256051685 KDUWPZYCDXIUFZ-UHFFFAOYSA-N 245.326 2.832 0 40 BFAB CN(C)c1nc(Cl)c(C(F)F)s1 575629512 ZCXFKYQKCVTMAP-UHFFFAOYSA-N 212.652 2.800 0 40 BFAB Cc1ccccc1COc1ncc(F)cn1 585651477 NZXMAKNCPMVCMT-UHFFFAOYSA-N 218.231 2.503 0 40 BFAB O=C1Nc2c(cccc2OC(F)(F)F)CO1 953104670 YXWFYCNJHKYDIT-UHFFFAOYSA-N 233.145 2.647 0 40 BFAB CCN(CC)C[C@H]1OCCc2ccccc21 207125 CUFMUOINXASFGE-CQSZACIVSA-N 219.328 2.642 0 40 BFAB COc1ccccc1C(=O)N1CCCCCC1 1466451 JGEJLRLXBDVCEZ-UHFFFAOYSA-N 233.311 2.711 0 40 BFAB CN(C)c1ccc(Br)cc1F 2528583 XOYOXHVNYCDDLL-UHFFFAOYSA-N 218.069 2.654 0 40 BFAB CCc1ccc(NCc2cn(C)nc2C)cc1 2536161 ZYKVLNZGKLVZRB-UHFFFAOYSA-N 229.327 2.903 0 40 BFAB Cc1cc(/C=C/C(=O)O)c(C)n1-c1nccs1 4218454 XNZHWOUNXNIMSO-ONEGZZNKSA-N 248.307 2.648 0 40 BFAB Fc1cccc(-c2nc(-c3cccnc3)no2)c1 4513142 SQVWLKBGCYVLLN-UHFFFAOYSA-N 241.225 2.938 0 40 BFAB Fc1cc2nc3c(nc2cc1F)CCCC3 5749230 MSECKZNHHCTXHS-UHFFFAOYSA-N 220.222 2.787 0 40 BFAB CC(C)CN1C(=O)C(=O)c2cc(Cl)ccc21 6883506 IFFKSJMZCKKYDH-UHFFFAOYSA-N 237.686 2.525 0 40 BFAB C[C@@H]1C[C@@H]1C(=O)N(C)Cc1cccc(Cl)c1 12976580 ZWSWWFLJLVFDRG-SKDRFNHKSA-N 237.730 2.954 0 40 BFAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N(C)C 30873736 OKXDVQTWSBLWDV-LLVKDONJSA-N 241.718 2.586 0 40 BFAB CCNCc1cc(OC)ccc1OC(C)C 34655955 MSTKVCSFFIFHHI-UHFFFAOYSA-N 223.316 2.592 0 40 BFAB C[C@H](C1CC1)N(C)C(=O)c1ccnc(Cl)c1 35207624 QNTLCNFGOKQPPU-MRVPVSSYSA-N 238.718 2.606 0 40 BFAB Cc1nc(Cl)c2cnn(C(C)(C)C)c2n1 36928365 KDEXLYBQKVAZMI-UHFFFAOYSA-N 224.695 2.543 0 40 BFAB in-vitro CCn1c([C@@H](C)O)nc2ccc(Cl)cc21 40417187 OKJZDAQOFZWZNL-SSDOTTSWSA-N 224.691 2.763 0 40 BFAB C/C=C/CSc1nc(C(C)(C)C)n[nH]1 40497708 GDWUNGAPMJFHKG-AATRIKPKSA-N 211.334 2.770 0 40 BFAB CCCOc1ccc(OCC2CCNCC2)cc1 42782856 YVHWOKATJNMIRT-UHFFFAOYSA-N 249.354 2.854 0 40 BFAB CCC[C@@H](C)CN[C@@H](CC(C)C)C(=O)O 43432821 YWROCUZPDHDFNE-MNOVXSKESA-N 215.337 2.512 0 40 BFAB Cc1ccc(C(=O)c2cccc(F)c2F)cn1 45029091 AUIFQQFBRJKZKI-UHFFFAOYSA-N 233.217 2.899 0 40 BFAB CC(C)=CC(=O)NCc1ccc(C)s1 49071989 ICKKHZQZSDXDMQ-UHFFFAOYSA-N 209.314 2.639 0 40 BFAB O=C(O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 52249150 UAOVLUFVXKIGKW-MRVPVSSYSA-N 235.066 2.502 0 40 BFAB in-vitro Cc1cc(CN2CCCCCCC2)on1 53398628 QWFWUCVTNPQIOY-UHFFFAOYSA-N 208.305 2.749 0 40 BFAB CC[C@@H](C)Nc1ncccc1[C@@H]1CCCN1 72213357 VNYKYDZEJMZBPX-PWSUYJOCSA-N 219.332 2.717 0 40 BFAB C[C@H](c1ccccc1Cl)N1CCC[C@H](O)C1 72268464 OUTRRWUULVKNCQ-MNOVXSKESA-N 239.746 2.858 0 40 BFAB CC[C@H](CCOC)CNCC1CCCC1 85396120 FJAUKCUZKHWDCC-GFCCVEGCSA-N 213.365 2.829 0 40 BFAB Cc1cccc(C(=O)N2CCC[C@H]3CCC[C@@H]32)n1 89688913 TWQCUDIFGZLDPJ-OCCSQVGLSA-N 244.338 2.795 0 40 BFAB C[C@@H](C(=O)N(C)C)c1ccc(Cl)s1 89905015 VGSZTDOFMUUHFY-ZCFIWIBFSA-N 217.721 2.593 0 40 BFAB Cc1ccc(CN(C)[C@H](C)c2cccnc2)nc1 97113716 LWAQGPOLFQCEEX-CYBMUJFWSA-N 241.338 2.978 0 40 BFAB O[C@H]1CCc2c(Br)ccc(F)c21 145220050 NLVVNRITLSLCDP-QMMMGPOBSA-N 231.064 2.568 0 40 BFAB C[C@H](N[C@H]1CCCC[C@@H]1N)c1ccccc1 145838646 QQTZYYSHFALROI-UBHSHLNASA-N 218.344 2.607 0 40 BFAB CN(C)CC(F)(F)Sc1cccc(N)c1 256049893 BXBYNAGMQOYPIU-UHFFFAOYSA-N 232.299 2.515 0 40 BFAB FC1(F)CCN(CCc2ccccc2)CC1 259436315 UWCJYTOCVRFVDR-UHFFFAOYSA-N 225.282 2.960 0 40 BFAB CC(C)(C)OC(=O)N1CC[C@H]2C=CC[C@H]21 953091149 YBZNAAJETWOGIC-NXEZZACHSA-N 209.289 2.572 0 40 BFAB Cc1c(Cl)cccc1NC(=O)[C@H]1CCCO1 804571 BKWNJEPRFSSIFE-LLVKDONJSA-N 239.702 2.766 0 40 BFAB OC(CCc1ccco1)CCc1ccco1 1561470 SDWBGJNCWSSJIX-UHFFFAOYSA-N 220.268 2.799 0 40 BFAB CSc1ncnc2c1ncn2-c1ccccc1 1628319 NHAZCRWMDKBTFW-UHFFFAOYSA-N 242.307 2.537 0 40 BFAB O[C@H]1c2ccccc2CCC[C@H]1N1CCCCC1 1716413 YHKXIOBTHOUEOA-CVEARBPZSA-N 245.366 2.911 0 40 BFAB CCOc1cc(OCC)c2ccc(=O)oc2c1 2573884 WDSDYZVMKWWVIN-UHFFFAOYSA-N 234.251 2.590 0 40 BFAB CCCCC(=O)Nc1cc(C)ccc1O 4666478 DNKSNGQPTRCBSC-UHFFFAOYSA-N 207.273 2.829 0 40 BFAB CCOC(=O)C1=C(Nc2ccccc2)CSC1 4773541 MJYXDIBLBAEHFW-UHFFFAOYSA-N 249.335 2.663 0 40 BFAB O=C1N[C@H](c2cccc(F)c2)Oc2ccccc21 5001184 YLGWUAIQLDLSNP-AWEZNQCLSA-N 243.237 2.647 0 40 BFAB CCC(C)(C)C(=O)Nc1ccc(OC)cc1N 8703574 AYDCWYUFUCRRKH-UHFFFAOYSA-N 236.315 2.652 0 40 BFAB CC(C)(COc1cccc(Cl)c1)C(=O)O 8730689 XHWMOAVPNOQVIS-UHFFFAOYSA-N 228.675 2.830 0 40 BFAB COc1ccccc1-c1csc(C(=O)O)n1 12404903 FNGDFKSEPJEEOW-UHFFFAOYSA-N 235.264 2.517 0 40 BFAB Sc1nnc(CNc2ccc(Cl)cc2)o1 13483153 ZSHJONANWCWEQS-UHFFFAOYSA-N 241.703 2.624 0 40 BFAB CCc1ccc(NC(=O)C2(N)CCCCC2)cc1 19476861 PPDIPAARUVLYFJ-UHFFFAOYSA-N 246.354 2.849 0 40 BFAB c1ccc2[nH]c([C@H]3CCCNC3)cc2c1 20217121 XKJJOWGAKBYIQV-NSHDSACASA-N 200.285 2.635 0 40 BFAB in-vitro c1ccc2[nH]c([C@@H]3CCCNC3)cc2c1 20217122 XKJJOWGAKBYIQV-LLVKDONJSA-N 200.285 2.635 0 40 BFAB in-vitro Nc1ccc(NC(=O)c2cccnc2)c(Cl)c1 20344199 JJGSNAVCHJZUKT-UHFFFAOYSA-N 247.685 2.570 0 40 BFAB Cc1noc(Cc2c(C)[nH]c3c(F)cccc23)n1 20782971 YHOPFZRZMOWPOP-UHFFFAOYSA-N 245.257 2.898 0 40 BFAB Cc1cnc(NC(=O)c2ccc(Cl)o2)s1 21470596 XFCDTBMOVCFLTF-UHFFFAOYSA-N 242.687 2.950 0 40 BFAB COc1cc(CN)ccc1OCCC(C)C 22171577 IHSBWSHLJSGCAM-UHFFFAOYSA-N 223.316 2.579 0 40 BFAB in-vitro CCCNC(=O)c1cc(-c2ccc(C)s2)[nH]n1 32060200 YSKHITMFMRZFMU-UHFFFAOYSA-N 249.339 2.586 0 40 BFAB CCC(=O)N1CCC[C@H]1c1ccc(OC)cc1 32819497 WEJKDJNGWBEPQM-ZDUSSCGKSA-N 233.311 2.769 0 40 BFAB CC[C@H](C)Oc1ccc(CNC)cc1OC 34816857 HKGAQYLBXHSESL-JTQLQIEISA-N 223.316 2.592 0 40 BFAB CC(=O)Cn1ccc(=O)c2cc(Cl)cc(C)c21 40164150 VFLUKXWSIWNNQC-UHFFFAOYSA-N 249.697 2.552 0 40 BFAB COc1cccc(Cc2nsc(Cl)n2)c1 47218914 QJEPSSRHPXZRPX-UHFFFAOYSA-N 240.715 2.791 0 40 BFAB in-vitro CC(C)Oc1ccc([C@]2(C)CCNC2)cc1 51955181 PMEVYUNAAMXTOV-CQSZACIVSA-N 219.328 2.725 0 40 BFAB CCCNC(=O)NCc1ccccc1Cl 58619447 APAVMTFKCICXPR-UHFFFAOYSA-N 226.707 2.549 0 40 BFAB CC1CCN(C(=O)Cc2ccc(F)cc2)CC1 59014353 LMYZFGLULIGLJH-UHFFFAOYSA-N 235.302 2.627 0 40 BFAB Fc1cccc(OCc2ccncc2)c1 70256331 RNIOOOZUPGESAC-UHFFFAOYSA-N 203.216 2.800 0 40 BFAB COc1ccccc1CN[C@@H]1CCC[C@@H](OC)C1 70325368 YUYUDZNEQHPLKH-ZIAGYGMSSA-N 249.354 2.742 0 40 BFAB CCCc1ccc([C@H](C)OCCN)cc1 71510703 SVRATUFLWQTKMM-NSHDSACASA-N 207.317 2.675 0 40 BFAB NC(=S)C1(COc2ccccc2)CCC1 85390491 NRBXEACPLZEXLX-UHFFFAOYSA-N 221.325 2.522 0 40 BFAB COCOc1ccc(F)cc1Br 88318416 YOEAQIHULVVVDZ-UHFFFAOYSA-N 235.052 2.571 0 40 BFAB C[C@H]1OCC[C@H]1SCc1nccs1 95974125 XCYHAGCAVUPFRW-HTQZYQBOSA-N 215.343 2.554 0 40 BFAB O=C(Nc1ccc(Cl)cc1O)c1ccc[nH]1 95976262 ZVUJQCGJAHYCFE-UHFFFAOYSA-N 236.658 2.626 0 40 BFAB O=Cc1ccc(OCCCCN2CCCC2)cc1 96234416 BFUTVTPERGGRBB-UHFFFAOYSA-N 247.338 2.754 0 40 BFAB CC(=O)N[C@@]1(C)CC[C@@H]2C[C@@H]1C(C)=NC2(C)C 101468008 AKRBICRIVVVNDO-BZPMIXESSA-N 236.359 2.551 0 40 BFAB CC(=O)c1cc(F)c(N)cc1C(F)(F)F 199544584 AYYQYELZSDQENM-UHFFFAOYSA-N 221.153 2.629 0 40 BFAB N[C@H]1CCC[C@H]1Nc1ccc(Cl)cc1 218681913 JVZLGJXRHMGGEX-WDEREUQCSA-N 210.708 2.632 0 40 BFAB CNCCCNc1ccnc2c(C)ccc(C)c12 222677090 KWYSTAIWTLOJPW-UHFFFAOYSA-N 243.354 2.873 0 40 BFAB CCCCNc1ccc(C(=O)NCCC)cc1N 225406680 ZDBYDHOBNWUESR-UHFFFAOYSA-N 249.358 2.621 0 40 BFAB FC(F)n1ccc(CNCc2cccs2)n1 256053555 RXUKRFQKKOVJJR-UHFFFAOYSA-N 243.282 2.630 0 40 BFAB CC(C)c1nnc(N(C)C2CC(C)(C)C2)o1 336283236 PUWRXGULMSJDQN-UHFFFAOYSA-N 223.320 2.818 0 40 BFAB C=Cc1ccc2c(c1)C(=O)OC(C)(C)O2 2362803183 LGAOUGXXDLQHAI-UHFFFAOYSA-N 204.225 2.615 0 40 BFAB Clc1cncc(Oc2ccc(Cl)nn2)c1 153129 QVUIBPOMRSTXEE-UHFFFAOYSA-N 242.065 2.971 0 40 BFAB COC(=O)c1cc2c(s1)C(=O)c1ccccc1-2 1734690 CJTMSFGZFMQLIO-UHFFFAOYSA-N 244.271 2.746 0 40 BFAB Cn1cnc2ccc(C(F)(F)F)cc21 2386358 MTNAAYOIBPKZRO-UHFFFAOYSA-N 200.163 2.592 0 40 BFAB CC1=N[C@H](Cn2c(C)nc3ccccc32)CS1 5337946 YCOUKQPRNROLHV-LLVKDONJSA-N 245.351 2.879 0 40 BFAB O=C(CSCc1ccccc1)NC1CCCC1 6864244 AZPWXQIUMWQSMZ-UHFFFAOYSA-N 249.379 2.979 0 40 BFAB Cc1cc(N)ccc1N1[C@H](C)CC[C@H]1C 8701407 DYDIERCDZVCGKM-GHMZBOCLSA-N 204.317 2.954 0 40 BFAB Cc1cc(CO)c(C)n1Cc1ccccc1 8727926 JVYKBAREQJAORZ-UHFFFAOYSA-N 215.296 2.646 0 40 BFAB CCC[C@H](Oc1cccc(C)c1)C(=O)O 8730623 SFSBLOGMWQOSIH-NSHDSACASA-N 208.257 2.627 0 40 BFAB O=C(O)c1cccn1CC1CCCCC1 12506058 GTAHLJYDSVYCNI-UHFFFAOYSA-N 207.273 2.767 0 40 BFAB Cc1ccccc1-n1ncc(C(=O)O)c1C1CC1 12879697 CLTLGJDAUAROIU-UHFFFAOYSA-N 242.278 2.756 0 40 BFAB Cn1cnc2c(Nc3ccccc3)nccc21 13208148 ILWWCZAREWESNI-UHFFFAOYSA-N 224.267 2.712 0 40 BFAB CCN(CC)[C@H](C(=O)O)c1ccccc1Cl 16844141 JNWZCPLEUZUNFM-NSHDSACASA-N 241.718 2.808 0 40 BFAB CC(C)C(=O)Nc1cc(N)ccc1Cl 20342995 VRNJJWXCVZTKHX-UHFFFAOYSA-N 212.680 2.517 0 40 BFAB CCc1c(C=O)c(C)n(C[C@H]2CCCO2)c1C 22122283 XWQNFQYHCMXMOD-GFCCVEGCSA-N 235.327 2.659 0 40 BFAB Cc1cc(Br)cc(C)c1CN 32629216 VSSRYJUNVNDQTR-UHFFFAOYSA-N 214.106 2.525 0 40 BFAB in-vitro CC(C)(C)CC(=O)NCCc1ccc(F)cc1 40159519 SHWGGGPWNBBRKS-UHFFFAOYSA-N 237.318 2.921 0 40 BFAB Cc1cccc(C(=O)CC(C)(C)C(=O)O)c1C 43214291 DACBPOJILMGDBG-UHFFFAOYSA-N 234.295 2.987 0 40 BFAB Cc1csc(SC[C@@H]2CCCCN2)n1 43495203 BHRNNCDGFSSAOS-VIFPVBQESA-N 228.386 2.686 0 40 BFAB CC[C@H](CN)Oc1cccc(C(F)(F)F)c1 43541835 OQCKVOZOXALOGP-SECBINFHSA-N 233.233 2.822 0 40 BFAB in-vitro CC(C)c1noc([C@H](C)N2CCC[C@@H](C)C2)n1 44583679 HFWHMCDWWQQOCP-MNOVXSKESA-N 237.347 2.986 0 40 BFAB Cc1cccc(CCC(=O)Nc2cc(C)n[nH]2)c1 48602558 DZQSVTZSQFYRPX-UHFFFAOYSA-N 243.310 2.598 0 40 BFAB Cc1ccc(CNC(=O)c2sccc2C)cn1 48790730 FNWOAFNJQXDXBI-UHFFFAOYSA-N 246.335 2.690 0 40 BFAB COc1ccc(-c2cn3ccsc3n2)cc1N 61957806 STUOMPARAVXKPA-UHFFFAOYSA-N 245.307 2.654 0 40 BFAB CCN(CC)c1ccc([C@H]2C[C@@H]2[C@@H](C)N)cc1 62713804 PSLMPRXZPHIWIW-KCPJHIHWSA-N 232.371 2.984 0 40 BFAB CN(Cc1cccs1)C(=O)CC(F)(F)F 65554299 OCXJAZUJQYGASF-UHFFFAOYSA-N 237.246 2.659 0 40 BFAB Cc1cc(NC(C)(C)C)ncc1[C@H](C)N 72223977 FIUUVXNAXLWXLJ-VIFPVBQESA-N 207.321 2.620 0 40 BFAB Clc1cc2c(cc1Br)OCCN2 72266677 BAUAOJVZMYGURE-UHFFFAOYSA-N 248.507 2.907 0 40 BFAB in-vitro C[C@H](C(=O)O)c1ccc(F)c(Cl)c1 82592473 WQCTVPRDXUKRPI-YFKPBYRVSA-N 202.612 2.667 0 40 BFAB CCc1ccc(CN2CC[C@@H]3OCCC[C@@H]3C2)o1 93506053 NZIDGMQKDJBCQL-DOMZBBRYSA-N 249.354 2.843 0 40 BFAB CCc1c[nH]c(SCc2cc(C)on2)n1 95416419 OBIOKIIPMSBGAK-UHFFFAOYSA-N 223.301 2.561 0 40 BFAB CC[C@@H](Nc1cc(F)cc(Cl)c1)C(=O)O 95630777 FIYGVKPGJGNTCV-SECBINFHSA-N 231.654 2.754 0 40 BFAB O=C(c1ccc(F)cc1)[C@H]1CC=CC[C@H]1C(=O)O 95634413 UPKLGMBIFDIGBT-NWDGAFQWSA-N 248.253 2.675 0 40 BFAB FC1(F)CC[C@@H]2CN(Cc3ccncc3)C[C@@H]21 96054645 GTJGZYQUMUYSPA-NEPJUHHUSA-N 238.281 2.559 0 40 BFAB CC(C)(C)OC(=O)N1CCSC[C@@H]1C1CC1 112951846 NNNMGVGMZFCKLW-SNVBAGLBSA-N 243.372 2.749 0 40 BFAB CCNC(=O)[C@H](CC)Oc1cc(C)ccc1C 113950468 SPSSYSHNNAHQMQ-LBPRGKRZSA-N 235.327 2.597 0 40 BFAB O[C@H]1CCC[C@@H]1Nc1ccc2ccccc2n1 195575369 IQAYUXVPACNULT-STQMWFEESA-N 228.295 2.560 0 40 BFAB NC[C@@H]1Nc2ccccc2C12CCCCC2 218699105 SUNGALYYQFUPCB-ZDUSSCGKSA-N 216.328 2.641 0 40 BFAB CC1(C)CC(=O)[C@H]2C(C3CCCCC3)=NN[C@H]2C1 228926868 KOGWSNSKRMXIPR-AAEUAGOBSA-N 248.370 2.900 0 40 BFAB CCOC(=O)c1ccccc1C(=O)C(C)C 390278952 UQGHLEJFJSWSEW-UHFFFAOYSA-N 220.268 2.702 0 40 BFAB CC(C)OCc1nn(C(F)F)cc1Cl 408715469 QJOKPFGCBLOGKW-UHFFFAOYSA-N 224.638 2.857 0 40 BFAB COc1cc2c(cc1C)[C@H]1ON=C[C@H]1CC2 408722128 FCYFANLEKNPWAY-MFKMUULPSA-N 217.268 2.623 0 40 BFAB Clc1cnn(CCN2CCC23CCCC3)c1 649658463 LYTHJVCVDQUQLP-UHFFFAOYSA-N 239.750 2.555 0 40 BFAB CCc1ccc(C2=CSC3=NCCN23)cc1 509238 CRRGGHOSEGZRAM-UHFFFAOYSA-N 230.336 2.966 0 40 BFAB C(=C/[C@H]1C[C@@H]2CCCN2O1)\c1ccccc1 1559919 POSFKVVXEVYCJA-CFYKVZDHSA-N 215.296 2.868 0 40 BFAB S=C1SCCN1Cc1ccccc1 1712042 QTKZZHBBSBSSHF-UHFFFAOYSA-N 209.339 2.520 0 40 BFAB O=C(C1[C@H]2CCCC[C@H]12)N1CCCCCC1 3142524 HFMQZPHALJTOHC-RYUDHWBXSA-N 221.344 2.825 0 40 BFAB CC(=O)O[C@@H]1C[C@@H]2CC[C@]13CC=CC[C@H]23 4538240 LOXGHFUDKKRKPV-LOWDOPEQSA-N 206.285 2.684 0 40 BFAB Cc1cccc(CNc2cccc(C)n2)n1 5487124 GLKLXYMSKJJNMD-UHFFFAOYSA-N 213.284 2.706 0 40 BFAB CC1=C(C)C[S@](=O)N(c2ccccc2)C1 5757450 AEKOUOIDAINDAN-OAHLLOKOSA-N 221.325 2.507 0 40 BFAB CCC1=NO[C@@H](C(=O)OCc2ccccc2)[C@@H]1C 5781549 SUXYPBVJSUHVBJ-ZWNOBZJWSA-N 247.294 2.531 0 40 BFAB COc1ccc2c3c1C(=O)CCC[C@H]3CO2 5813003 NRRJRNLDKNSCFO-QMMMGPOBSA-N 218.252 2.538 0 40 BFAB CCc1cccc(NC(=O)c2cnc(C)cn2)c1 6304767 AKHIEBSXRQVQCD-UHFFFAOYSA-N 241.294 2.600 0 40 BFAB COc1ccccc1/C=C/C(=O)NCCC(C)C 6364430 YJVLKCRSWNEOMB-CMDGGOBGSA-N 247.338 2.871 0 40 BFAB CCCCCNCc1ccc(OC)cc1 7261304 LNZFZGMDBKFSNA-UHFFFAOYSA-N 207.317 2.975 0 40 BFAB CCCCCNCc1cccc(OC)c1OC 7261341 BFFMBZNHCNLOHZ-UHFFFAOYSA-N 237.343 2.984 0 40 BFAB CCNCc1cc(Cl)c(OCC)c(OC)c1 8227164 GJUDWSIRASHGRM-UHFFFAOYSA-N 243.734 2.857 0 40 BFAB O=C(O)c1ccc(CNc2ccccc2F)o1 8729665 ZJAAWCDKHBGRLD-UHFFFAOYSA-N 235.214 2.729 0 40 BFAB Cc1ccc([C@H](NC=O)c2cccs2)cc1 10493643 SYQBSSYVYAZTSX-ZDUSSCGKSA-N 231.320 2.892 0 40 BFAB O=C(O)CCc1nccc2c1[nH]c1ccccc12 13383325 CNUHEVWYPKFJHH-UHFFFAOYSA-N 240.262 2.733 0 40 BFAB biogenic,in-vitro Cc1ccc(C)c(OCC2CCNCC2)c1 14631432 AFIVFNIXNJQFRK-UHFFFAOYSA-N 219.328 2.682 0 40 BFAB in-vitro Clc1cccc(C2=N[C@H]3C=NN=C3S2)c1 17957918 PSEVBKPUWBEQTN-QMMMGPOBSA-N 235.699 2.600 0 40 BFAB Clc1cncc(OC2CCCCC2)n1 19415681 DUDGGTHYIYRRCI-UHFFFAOYSA-N 212.680 2.842 0 40 BFAB in-vitro Nc1ncc(Cc2ccc3c(c2)CCC3)s1 20284191 BTEHSOZOAWZLLW-UHFFFAOYSA-N 230.336 2.805 0 40 BFAB COc1ccc([C@@H](N)C(F)(F)F)cc1Cl 20521774 BFWRKORBLMNQLD-MRVPVSSYSA-N 239.624 2.911 0 40 BFAB NCCc1c[nH]c2ccc(C(F)(F)F)cc12 26894234 DVJKZOMKVLFUDW-UHFFFAOYSA-N 228.217 2.688 0 40 BFAB CCCCCCNC(=O)Nc1cccnc1 32841358 YFUZSCMWYXTVPS-UHFFFAOYSA-N 221.304 2.783 0 40 BFAB CC1CCN(C(=O)c2ccc(N(C)C)cc2)CC1 33028273 RFRFAGXMNVCVFI-UHFFFAOYSA-N 246.354 2.625 0 40 BFAB CCN[C@@H](CC)c1cc(OC)ccc1OC 35541415 YRQVQMORSRDOIT-LBPRGKRZSA-N 223.316 2.764 0 40 BFAB CCCN[C@H](C)c1ccc(OC)cc1F 37118383 YPANNIOROAUMMB-SECBINFHSA-N 211.280 2.895 0 40 BFAB N[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 37381581 IJUBEDIWPVVNLP-BDAKNGLRSA-N 201.191 2.520 0 40 BFAB COC(=O)c1sc2c(Cl)cccc2c1N 39121659 KNJZZJLVDYDEGL-UHFFFAOYSA-N 241.699 2.924 0 40 BFAB Oc1cccc(CN2CCCCCC2)c1 39619533 UVWCUQMHJZAVFL-UHFFFAOYSA-N 205.301 2.768 0 40 BFAB Oc1cccc(-c2nc(-c3ccncc3)no2)c1 40542122 ZFZZKGWHAGQVTD-UHFFFAOYSA-N 239.234 2.504 0 40 BFAB O=C(O)CC1(c2ccccc2)CCCC1 41212658 HQLHNHOWMVAWQK-UHFFFAOYSA-N 204.269 2.973 0 40 BFAB in-vitro CCCOc1ccc(OC[C@@H]2CCCNC2)cc1 42782854 HPSHSJSRPNOVHM-CYBMUJFWSA-N 249.354 2.854 0 40 BFAB C[C@@H](Nc1ccc(Cl)cc1Cl)C(=O)O 43626097 JNLZQDCKJDMRPL-RXMQYKEDSA-N 234.082 2.878 0 40 BFAB CC[C@@H]1CCC(=O)[C@@H](C(=O)C(C)(C)C)C1 43651539 QVYXQKLUNDWERF-ZJUUUORDSA-N 210.317 2.997 0 40 BFAB Cc1nnc(CSc2ncccc2Cl)o1 43895716 ZKUHJOUEKZPACU-UHFFFAOYSA-N 241.703 2.719 0 40 BFAB CCC(=O)N[C@@H]1CCCc2ccccc21 44443076 LGJZXTSRRXADSU-GFCCVEGCSA-N 203.285 2.590 0 40 BFAB C[C@@H](SCc1ccc(F)cc1Cl)C(N)=O 45089933 MPDVVKJFFONTSY-ZCFIWIBFSA-N 247.722 2.586 0 40 BFAB Clc1ccccc1-c1noc([C@@H]2CCCN2)n1 45893153 GLWWWROARWYMLW-JTQLQIEISA-N 249.701 2.815 0 40 BFAB Cc1ccccc1-c1cc(NC(=O)C2CC2)[nH]n1 51438929 GVIQRAWMFSEDNR-UHFFFAOYSA-N 241.294 2.734 0 40 BFAB OC[C@@H]1C[C@H]1c1ccc(Br)cc1 59858589 AVYSEWDQKFGYMF-WPRPVWTQSA-N 227.101 2.545 0 40 BFAB Cc1cnn([C@H](C)[C@H](C)NCc2cccs2)c1 69493158 OSLWIWBLUSZKHM-NWDGAFQWSA-N 249.383 2.992 0 40 BFAB CC(C)CN1c2ccccc2[C@H](C(N)=O)C[C@H]1C 71811783 VTGDSTLWPQUNJA-DGCLKSJQSA-N 246.354 2.510 0 40 BFAB CCN1CCCC[C@H]1c1ccc(OC)nc1C 72218093 JKVSSEBBQSEGFY-ZDUSSCGKSA-N 234.343 2.946 0 40 BFAB CNc1cc(C)c([C@H](O)c2ccccc2)cn1 72223060 SIABBDRKCLDSGS-CQSZACIVSA-N 228.295 2.513 0 40 BFAB CCCN(CCC)c1ccc(CO)c(C)n1 72224322 ZSPNDZZACAFCIY-UHFFFAOYSA-N 222.332 2.509 0 40 BFAB Cc1cc(C)c(NC(=O)c2cnco2)c(C)c1 82323733 DNMXYHWITRUZAY-UHFFFAOYSA-N 230.267 2.852 0 40 BFAB Cc1csc2nc(-c3ccoc3)[nH]c(=O)c12 89708865 FEAOCBIITGLXFJ-UHFFFAOYSA-N 232.264 2.553 0 40 BFAB Cc1cc([C@H](C)N[C@@H]2CCOC2)cc(C)c1F 95423368 LUBDCCGXARADHC-WCQYABFASA-N 237.318 2.882 0 40 BFAB O=C1Nc2ccc(OC(F)(F)F)cc2CO1 95486389 ZMXURIABUBXZIL-UHFFFAOYSA-N 233.145 2.647 0 40 BFAB Sc1ccc(CN2CCSCC2)cc1 95738730 JVTOCFVRQBBBIP-UHFFFAOYSA-N 225.382 2.524 0 40 BFAB O=C(/C=C/c1ccoc1)NCc1ccsc1 96120195 HZZIXTAAGHULNB-OWOJBTEDSA-N 233.292 2.671 0 40 BFAB COc1c(C(=O)O)oc2ccc(Cl)cc12 96379154 IVGCNVQIQYQYKK-UHFFFAOYSA-N 226.615 2.793 0 40 BFAB CC[C@H]1CCCC[C@@H]1OC(=O)CCCOC 97364035 FDPYPCWSEVDKEM-RYUDHWBXSA-N 228.332 2.925 0 40 BFAB c1ccc([C@@]23O[C@@H]4[C@H]5[C@H]6C[C@@H]([C@@H]52)[C@@H]2[C@H]6[C@@H]4[C@@H]23)cc1 100400680 DNZSZQJIFXZSPG-FUCJIUGVSA-N 236.314 2.668 0 40 BFAB C[C@@]12CC[C@H]3[C@@](Br)(C[C@]31C)C2=O 101041793 MZUHKKJTABCVFS-NEPJDUFXSA-N 229.117 2.529 0 40 BFAB CC(C)n1nccc1Nc1ccccc1C(=O)O 137354076 UAQSKPOVCDBFPL-UHFFFAOYSA-N 245.282 2.906 0 40 BFAB CCn1cc(Cc2ccccc2Cl)nc1N 199550059 JQSMHCMQMZTCTN-UHFFFAOYSA-N 235.718 2.729 0 40 BFAB CCn1c(C)c(CNC)c2cc(OC)ccc21 223758423 XDTPVRXMRYOLJQ-UHFFFAOYSA-N 232.327 2.698 0 40 BFAB CC[C@@H](C(=O)O)N(CC)c1cc(C)ccc1C 224982938 MNRRFPNBYBSWDY-LBPRGKRZSA-N 235.327 2.993 0 40 BFAB C[C@@H](C(=O)O)N(C)c1cccc(C(F)(F)F)c1 224996038 FLIKSOITQSIEIL-ZETCQYMHSA-N 247.216 2.615 0 40 BFAB CC(C)C[C@H](N)CN1CC[C@H]2CCCC[C@H]2C1 242425532 BNTIPNUKXBIXGB-ILXRZTDVSA-N 238.419 2.872 0 40 BFAB CCSc1nnc(Cc2ccccc2)n1C 409102906 URECPLRLUCXFON-UHFFFAOYSA-N 233.340 2.518 0 40 BFAB Cc1ccc(N2C[C@H]3CCC[C@@H]3C2)nc1 2298176289 CPAMGRQJCNFGRN-VXGBXAGGSA-N 202.301 2.626 0 40 BFAB CC(=O)Nc1nc(C=C(Cl)Cl)cs1 141077 WXVRSTBYPGEQHA-UHFFFAOYSA-N 237.111 2.878 0 40 BFAB CCO[C@H]1OCCC[C@@H]1[C@H](OCC)C(C)C 1653174 KZNCHPMMDTVWNG-UPJWGTAASA-N 230.348 2.837 0 40 BFAB C[C@@H](Cc1ccc(Cl)cc1Cl)NO 2044326 LXRJUJFAYRWQDI-LURJTMIESA-N 220.099 2.903 0 40 BFAB in-vitro Nc1nc(-c2cc(F)cc(F)c2)cs1 2574040 DJGBSHUJYGXFQN-UHFFFAOYSA-N 212.224 2.671 0 40 BFAB CCC[n+]1ccccc1[C@H](F)C(F)(F)F 3296927 HDVVKOLBOBBPME-VIFPVBQESA-N 222.205 2.957 0 40 BFAB CO[P@]1(=O)C[C@@H]2C(Cl)(Cl)[C@]2(C)C1 5812676 QRKRKVKQGRLRPQ-DFEJBLNRSA-N 229.043 2.735 0 40 BFAB O=C(CSc1ccccc1)c1ccc[nH]1 6252395 XVXKCRTZIJVEFX-UHFFFAOYSA-N 217.293 2.990 0 40 BFAB CCCCNC(=O)CSCc1ccccc1 6310585 NZDZVZSTKCEZDV-UHFFFAOYSA-N 237.368 2.836 0 40 BFAB CCc1ccccc1NC(=O)c1ccccn1 7724244 UGFKGJGKKVUTBY-UHFFFAOYSA-N 226.279 2.896 0 40 BFAB CCONC(=O)c1cccc2ccccc12 12782580 HTBLQKNTGTUPQG-UHFFFAOYSA-N 215.252 2.521 0 40 BFAB Cc1ccc(NC(=O)c2c(C)noc2C)c(F)c1 14014566 MLARXCCQFJJOSF-UHFFFAOYSA-N 248.257 2.991 0 40 BFAB CC(=O)c1cccc(OCc2cc(C)no2)c1 20253850 XDFCWJUTMYOKRR-UHFFFAOYSA-N 231.251 2.765 0 40 BFAB CNC(=O)c1cc(-c2ccncc2)ccc1Cl 20271346 OLBUHWODSUQLTE-UHFFFAOYSA-N 246.697 2.762 0 40 BFAB COc1cc(C)ccc1NC(=O)C(C)C 22636734 LDOUQKILTCTIBG-UHFFFAOYSA-N 207.273 2.598 0 40 BFAB C[C@H](NC(=O)c1cccs1)c1ccccn1 28781359 TXAISZHPLNMGPR-VIFPVBQESA-N 232.308 2.634 0 40 BFAB COc1ccccc1C(=O)c1cccs1 32298964 HBTWCIUCSZGWDX-UHFFFAOYSA-N 218.277 2.988 0 40 BFAB CCCC1CCC(NCCOCC)CC1 36228421 RIXBDZNGMXYTGI-UHFFFAOYSA-N 213.365 2.971 0 40 BFAB C=CC(=O)Nc1ccc(N2CCCC2)cc1C 37003704 XGHODERTTUAVGV-UHFFFAOYSA-N 230.311 2.720 0 40 BFAB Cc1ccc(CC(=O)c2ccncc2)cc1 37992325 LEUPUDZAOSJCNM-UHFFFAOYSA-N 211.264 2.815 0 40 BFAB CC(C)c1nc(CCNc2ccccc2)n[nH]1 41161383 DQLVWIOIINYVLQ-UHFFFAOYSA-N 230.315 2.583 0 40 BFAB Cc1nc2ccc(NC(=O)N(C)C)cc2s1 41566146 KRSCUJHTQIYJHG-UHFFFAOYSA-N 235.312 2.698 0 40 BFAB Cc1c(F)cccc1NCc1csnn1 43320075 OXHCYEXOQWZNRO-UHFFFAOYSA-N 223.276 2.598 0 40 BFAB Fc1cc(C(F)(F)F)nc(F)c1F 47218601 VSROAQVURXOMIA-UHFFFAOYSA-N 201.069 2.518 0 40 BFAB C[C@H](CCN(C)C)Nc1ccnc2ccccc12 49558532 BUDYSZHUUJFKQT-GFCCVEGCSA-N 243.354 2.987 0 40 BFAB Nc1nc(-c2ccccc2)nc2sccc12 50841214 VQUWVROZMNLFDC-UHFFFAOYSA-N 227.292 2.941 0 40 BFAB Cc1cc(C(=O)O)nc(-c2ccc(Cl)cc2)n1 54832864 CRDHWIYPFSAPNL-UHFFFAOYSA-N 248.669 2.804 0 40 BFAB in-vitro CCC(=O)Nc1ccc2c(ccn2CCOC)c1 58227921 ZRMYDJXNCQYNKF-UHFFFAOYSA-N 246.310 2.636 0 40 BFAB COc1ccc(C)cc1C(=O)N1CCCCC1 61468339 ACVBYUQSSBZDAC-UHFFFAOYSA-N 233.311 2.630 0 40 BFAB CCOc1ccc([C@@H](CNC)OC(C)C)cc1 62711654 FAKLBYIHDRUDHU-CQSZACIVSA-N 237.343 2.771 0 40 BFAB Cc1noc(C)c1CN(C)[C@H](C)c1ccncc1 65504317 FKNFOYKNEJBAEB-LLVKDONJSA-N 245.326 2.879 0 40 BFAB CCCOc1ccccc1-c1cnc(CN)o1 72220122 DHQCKVMGVCWYNB-UHFFFAOYSA-N 232.283 2.589 0 40 BFAB CC1(C)CC(C(=O)O)(c2ccc(F)cc2)C1 77333442 RDYQOTJLSUGFGF-UHFFFAOYSA-N 222.259 2.968 0 40 BFAB CCOc1cccc([C@](C)(O)C(C)C)c1 86336393 QSABJXWATBNHFM-CYBMUJFWSA-N 208.301 2.949 0 40 BFAB CCc1cccnc1NCc1ccccn1 95434272 BKOMBMVOYREANA-UHFFFAOYSA-N 213.284 2.651 0 40 BFAB Cc1cc(F)ccc1[C@H](O)c1cccn1C 95727806 JRWQLOVXQUBKNH-ZDUSSCGKSA-N 219.259 2.554 0 40 BFAB Cc1ccccc1[N+]1=NCC2=C1C1=[N+](C=CC1)C2 96305386 YFCSRYFEUHJHFW-UHFFFAOYSA-N 237.306 2.743 0 40 BFAB CN(C)C(=O)c1cc2cccc(Cl)c2o1 96460735 ZEERCLSIQKVQND-UHFFFAOYSA-N 223.659 2.788 0 40 BFAB CCSCCOc1cccc([C@H](C)O)c1 96496141 MDURUSCBDFSOFS-JTQLQIEISA-N 226.341 2.872 0 40 BFAB NN[C@@H](c1ccccc1)c1cc(F)ccc1F 161806880 HHGGUNOFOVWMOI-ZDUSSCGKSA-N 234.249 2.518 0 40 BFAB CCC(=O)N(Cc1ccccc1)C[C@](C)(O)CC 189518336 IBNXDIDYYIPIDM-OAHLLOKOSA-N 249.354 2.586 0 40 BFAB CCO[C@H](CNC(=O)[C@H]1C[C@@H]1C)c1ccccc1 194194501 TWCRWVUIKITSDZ-FPMFFAJLSA-N 247.338 2.536 0 40 BFAB Cc1ocnc1C(=O)O[C@@H]1CC[C@@H](C)[C@@H](C)C1 195566669 BAIDLEJPJNDPQY-WCABBAIRSA-N 237.299 2.965 0 40 BFAB Cc1csc([C@@H](C)OC(=O)c2cccnc2)n1 195572019 CTIZZKVBXMYOFC-SECBINFHSA-N 248.307 2.765 0 40 BFAB CN1CCC[C@@H]1CCCNCc1ccccc1 218326085 XAPPWPXIGZUGFP-HNNXBMFYSA-N 232.371 2.651 0 40 BFAB O=C(Cc1ccc(F)cc1)N[C@H]1C[C@H]2CC[C@@H]1C2 224522555 DIWWJNQKJPNLED-SCRDCRAPSA-N 247.313 2.673 0 40 BFAB Cc1cccc(C[C@H](OC(C)C)C(=O)O)c1C 225024419 PIDUADRUPABFAA-ZDUSSCGKSA-N 236.311 2.724 0 40 BFAB Cc1nn(C)c2c1CC[C@H](C(C)(C)C)N2 225815260 SYDWTBRFSXFXAS-SNVBAGLBSA-N 207.321 2.501 0 40 BFAB CC[C@@H](C)n1nccc1CNc1cnn(CC)c1 256049536 AJHUTSJLJBAJAG-LLVKDONJSA-N 247.346 2.683 0 40 BFAB Cc1cccn2cc(-c3ccccc3N)nc12 258159077 DPBLHPUFTCYWHT-UHFFFAOYSA-N 223.279 2.892 0 40 BFAB CCOC(=O)c1ccc(C(=O)C(C)C)s1 261182691 KBXATNJXUGFSCY-UHFFFAOYSA-N 226.297 2.764 0 40 BFAB Cc1ccc(C)c(Nc2ncc(C)c(O)n2)c1 408980178 PRPXCQGXKURSPM-UHFFFAOYSA-N 229.283 2.851 0 40 BFAB CC(C)C[C@@H](CF)NC(=O)OC(C)(C)C 575447637 WWGUKQNOFOYFEG-VIFPVBQESA-N 219.300 2.895 0 40 BFAB CC[C@H](C)Nc1nc(Cl)nc(NC(C)C)n1 395883 VNLAIRYDIYJHAZ-ZETCQYMHSA-N 243.742 2.556 0 40 BFAB Cc1ccc2c(c1)c(C)c1n2CCN[C@@H]1C 517889 UVXUELUMSMKCIT-LLVKDONJSA-N 214.312 2.922 0 40 BFAB biogenic CC(=O)CCSc1ccc(OC(C)=O)cc1 1679643 ULXYXIJMKATDAY-UHFFFAOYSA-N 238.308 2.683 0 40 BFAB CCOC(=O)[C@@H](C)Oc1ccc(CC)cc1 2549385 GBGSGZTXKJSJIY-SNVBAGLBSA-N 222.284 2.579 0 40 BFAB O=C(Cc1cc(F)ccc1F)C(F)(F)F 2579853 AFSMXTFDDQMNMO-UHFFFAOYSA-N 224.128 2.639 0 40 BFAB Brc1ccnn1-c1ccccc1 3852679 LCJWNJQIZASEDB-UHFFFAOYSA-N 223.073 2.635 0 40 BFAB biogenic CC/C=C\C[C@@H]1C(=O)CC[C@H]1CC(=O)OC 4975331 GEWDNTWNSAZUDX-XXJOZFEBSA-N 224.300 2.501 0 40 BFAB biogenic,in-vitro CC(C)(C)C(=O)Nc1nc2ccccc2[nH]1 5900822 GQPZEKSQGMRKGU-UHFFFAOYSA-N 217.272 2.548 0 40 BFAB O=C(NCCc1ccccc1)Nc1nccs1 6579498 UMRYTJAWZACPDH-UHFFFAOYSA-N 247.323 2.507 0 40 BFAB Cc1cc(NC(=O)c2cc(F)cc(F)c2)no1 8884628 DNVPLMPREZMFBG-UHFFFAOYSA-N 238.193 2.514 0 40 BFAB COc1cc(OC)cc(C(=O)c2ccccc2)c1 11631660 YBRQXMKUFFNKIE-UHFFFAOYSA-N 242.274 2.935 0 40 BFAB CC(=O)c1c(C)nc(N2CCC[C@@H](C)C2)nc1C 13640220 XBUVGZYWLWWTDW-SECBINFHSA-N 247.342 2.532 0 40 BFAB CNCCC1CCN(Cc2cccs2)CC1 15424037 QHYQSSXPIMNFRS-UHFFFAOYSA-N 238.400 2.570 0 40 BFAB CCCCC(=O)Nc1ccc2c(c1)OCCCO2 23039759 JHDJBLZQZSYAJG-UHFFFAOYSA-N 249.310 2.977 0 40 BFAB CC(C)N1CC[C@H](c2nc3ccc(F)cc3[nH]2)C1 35446619 AYQURDNTFZKETJ-JTQLQIEISA-N 247.317 2.900 0 40 BFAB biogenic,in-vitro N[C@H](CCC(=O)O)c1ccc(Cl)c(Cl)c1 37378002 XXABZGITVFYWRM-SECBINFHSA-N 248.109 2.858 0 40 BFAB in-vitro Cc1cc(C(=O)c2cccnc2)ccc1F 37761587 WNIOHNLBJIIKDP-UHFFFAOYSA-N 215.227 2.760 0 40 BFAB in-vitro Cc1cc(C)c(C)c(OC[C@H]2CCNC2)c1 42772544 COPYKBKTRQMEQQ-ZDUSSCGKSA-N 219.328 2.600 0 40 BFAB CC[C@@H](N)c1ccc2c(c1)CC(C)(C)O2 51754795 AUGIXWNILBBZFR-LLVKDONJSA-N 205.301 2.810 0 40 BFAB in-vitro CC(C)n1nc(C(F)F)c(C=O)c1Cl 61628969 IJCJPSHVQVCGOR-UHFFFAOYSA-N 222.622 2.868 0 40 BFAB CC(C)Oc1cccc(/C=C/CC(=O)O)c1 62710442 REXJDRNWWNXHAT-GQCTYLIASA-N 220.268 2.962 0 40 BFAB Cc1nc(C(=O)OC2CCCC2)cs1 65654665 FLONECMACZPDHT-UHFFFAOYSA-N 211.286 2.551 0 40 BFAB CCOc1cccc([C@H](N)C(F)(F)F)c1 72194813 KQZHMLYINUSNHD-VIFPVBQESA-N 219.206 2.647 0 40 BFAB Cc1cc(N(C)Cc2ccccc2)ncc1C=O 72223384 UWBRJQHZCUEUNF-UHFFFAOYSA-N 240.306 2.839 0 40 BFAB O=Cc1ccc(NCc2ccccc2)nc1 72225337 NEJVCOSWPOPAJR-UHFFFAOYSA-N 212.252 2.506 0 40 BFAB CCCCc1ccc(N(C)CC(=O)O)cc1 77332354 YNEXUJZONHNPPB-UHFFFAOYSA-N 221.300 2.550 0 40 BFAB CC(=O)c1ccc(C(F)(F)F)nc1Cl 95642119 MQKHOUONYFMNDF-UHFFFAOYSA-N 223.581 2.956 0 40 BFAB in-vitro CC[C@H](COC)N[C@H](c1nccs1)C1CC1 95968586 LHQINNQGYIBAFJ-MNOVXSKESA-N 240.372 2.609 0 40 BFAB Nc1cccc([C@@H]2C[C@H]2C(F)(F)F)c1 98091178 RGMSYPHSYJUPSR-DTWKUNHWSA-N 201.191 2.935 0 40 BFAB C=CC(=O)N[C@H]1C[C@@H]2CC[C@]1(C)C2(C)C 100959368 YBIUHEWITUKHPU-KWBADKCTSA-N 207.317 2.503 0 40 BFAB CCC(=O)Nc1cccc(C)c1C(C)=O 157654319 ZFXFDIXQGXAJJO-UHFFFAOYSA-N 205.257 2.546 0 40 BFAB Cc1cc2ncn(CC(C)C)c2cc1N 223768983 FGBXIGFQSBMIPB-UHFFFAOYSA-N 203.289 2.583 0 40 BFAB COc1ccc2c(c1)CCC[C@H]2NC(=O)C1CC1 225385406 GEILBIUCELNVLR-CQSZACIVSA-N 245.322 2.599 0 40 BFAB CCn1ncc(C)c1CNCCc1ccccc1 256051882 KWRTXGWWGNTRSN-UHFFFAOYSA-N 243.354 2.544 0 40 BFAB O=C(Cc1cncc(F)c1)c1ccccc1 309236947 JISHAIOPFKXPLS-UHFFFAOYSA-N 215.227 2.646 0 40 BFAB CC(C)CCn1c(C(=O)O)cc2occc21 409422167 CGNHRWRNQKQODN-UHFFFAOYSA-N 221.256 2.979 0 40 BFAB CCC[C@@H]1C(=O)c2cccc3c2N(CCC3)C1=O 957743265 OWOVNAPBNBHYLG-GFCCVEGCSA-N 243.306 2.578 0 40 BFAB Cc1sc(C)c(C=O)c1Br 334198 NPQKHLRFRRMFMK-UHFFFAOYSA-N 219.103 2.940 0 40 BFAB Cc1cc(CN(C)C)cc(C(C)C)c1O 1737437 KAHPTXTWPJADKO-UHFFFAOYSA-N 207.317 2.886 0 40 BFAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C=O 3208021 YVYLXEJFBVNCRQ-UHFFFAOYSA-N 238.649 2.786 0 40 BFAB CCCOc1ccc(C(=O)O)cc1OCCC 3327230 KVGLIDHZBWTUQL-UHFFFAOYSA-N 238.283 2.962 0 40 BFAB CCCN(CCC)C(=O)c1ccccc1OC 6043229 IIYYGCIDWZURHI-UHFFFAOYSA-N 235.327 2.957 0 40 BFAB Cc1ccc(Cl)cc1NC(=S)N(C)C 6488037 CKTDKLDOXMWLEA-UHFFFAOYSA-N 228.748 2.907 0 40 BFAB CSCCC(=O)N[C@@H]1CCCc2ccccc21 9219158 SROCLWBBXVRBAF-CYBMUJFWSA-N 249.379 2.933 0 40 BFAB CCC[C@H](C)NC(=O)c1ccc(F)cc1F 12552287 GHWKVAJIQVPPPD-QMMMGPOBSA-N 227.254 2.883 0 40 BFAB Cc1ccc(O)c(C(=O)NC2CCCCC2)c1 12912344 VJGVQGMZWWPGQY-UHFFFAOYSA-N 233.311 2.763 0 40 BFAB Cc1cc2ccccc2n2c(=S)[nH]nc12 13999119 QLLRNRNVIDUGEO-UHFFFAOYSA-N 215.281 2.854 0 40 BFAB Cc1cccc(CSc2nc(=O)[nH]cc2C)c1 15952220 PCHATRZYTQEWDT-UHFFFAOYSA-N 246.335 2.679 0 40 BFAB O=C(Nc1ccc(F)cc1F)N1CCCCC1 16385286 GGWHOHPEKJHPAV-UHFFFAOYSA-N 240.253 2.983 0 40 BFAB CO[C@@H]1c2ccccc2C(=O)N1CCC(C)C 20123855 VPTINPVSCPBKPX-CQSZACIVSA-N 233.311 2.834 0 40 BFAB CCOC(=O)C[C@@H]1CCc2cc(OC)ccc21 35259788 OBJUZSOKYJHLAB-NSHDSACASA-N 234.295 2.678 0 40 BFAB C[C@@H](Nc1ccn(C)n1)c1cc(F)ccc1F 37560939 HWZLKHJGJMXEGE-MRVPVSSYSA-N 237.253 2.871 0 40 BFAB CCOC(=O)Oc1ccc(F)cc1F 38293180 MBAMZRLDXCEBEA-UHFFFAOYSA-N 202.156 2.500 0 40 BFAB in-vitro CC(C)N(C(=O)CN1CCCC[C@@H]1C)C(C)C 40161818 QBRDUHSIULJVAS-ZDUSSCGKSA-N 240.391 2.506 0 40 BFAB O=C(CCCSc1ccccc1)NC1CC1 40459692 WMNRCVUTXWKITR-UHFFFAOYSA-N 235.352 2.838 0 40 BFAB O=C(C1CCC1)N1CCC[C@@H]1c1cccnc1 40489419 YYUOFTKEUDILDP-CYBMUJFWSA-N 230.311 2.545 0 40 BFAB COCC(=O)Oc1cc(C)c(Cl)c(C)c1 40889764 VDALUVIHSFTGFS-UHFFFAOYSA-N 228.675 2.509 0 40 BFAB CC(C)C(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1 41421368 NWYKBEGZNZJPER-GXTWGEPZSA-N 247.338 2.631 0 40 BFAB CN(c1cncc(Cl)n1)C1CCCCC1 42783559 NHNRDKZRQYYFHK-UHFFFAOYSA-N 225.723 2.899 0 40 BFAB O=C(c1cccnc1)c1cc(F)c(F)c(F)c1 43391865 VNPLYWRUAUXPFF-UHFFFAOYSA-N 237.180 2.730 0 40 BFAB Cc1nc(N)cc(Nc2ccccc2Cl)n1 49467339 ZOUWSFTUPDZHLR-UHFFFAOYSA-N 234.690 2.764 0 40 BFAB O=Cc1cnc(COc2ccccc2Cl)nc1 49468280 FHTIHFWAVALOOA-UHFFFAOYSA-N 248.669 2.522 0 40 BFAB O=C(OCc1ccccn1)c1ccc(Cl)o1 60741770 HZWYTWRHDBPCQL-UHFFFAOYSA-N 237.642 2.685 0 40 BFAB CSc1ccc(C(=O)O)cc1Cl 62796536 MHBICPOTGDXESM-UHFFFAOYSA-N 202.662 2.760 0 40 BFAB in-vitro O=C(c1ccc2cc(O)ccc2c1)N1CCCC1 67802538 QRDOGCBZKNAJNL-UHFFFAOYSA-N 241.290 2.781 0 40 BFAB COc1cc(CCC(=O)O)cc(C(F)(F)F)c1 71867272 UBWCGDNNLZBGHQ-UHFFFAOYSA-N 248.200 2.731 0 40 BFAB CCN(C)c1ccc([C@H]2CCCN2CC)cn1 72212707 GVBQEUDIBWOXLC-CYBMUJFWSA-N 233.359 2.695 0 40 BFAB CC(C)CNc1ncccc1[C@H]1CCCN1 72213237 WHNJYYCJLKHWJR-GFCCVEGCSA-N 219.332 2.574 0 40 BFAB CC(C)Oc1ccc(-c2cnc(C(=O)O)o2)cc1 72219854 VQFANRJUENRPRD-UHFFFAOYSA-N 247.250 2.827 0 40 BFAB CC(C)(C)C(=O)N1CCC[C@H]1c1cccnc1 81561050 PCKDUVFFSDAJTO-LBPRGKRZSA-N 232.327 2.791 0 40 BFAB in-vitro COc1cc(C)c(Br)cc1C=O 83825901 XPPKFEJWOOFGIK-UHFFFAOYSA-N 229.073 2.579 0 40 BFAB in-vitro O=C(O)C1CC(Cc2ccc(Cl)cc2)C1 84015875 YCUCANQIIAEHSM-UHFFFAOYSA-N 224.687 2.993 0 40 BFAB c1cnc2cc(C3CCNCC3)ccc2c1 84192880 ABBDVHNSPPFHGX-UHFFFAOYSA-N 212.296 2.702 0 40 BFAB C=CC(=O)OC12CC3CC(CC(C3)C1)C2 85210710 PHPRWKJDGHSJMI-UHFFFAOYSA-N 206.285 2.684 0 40 BFAB Cc1csc(N(C(=O)[C@H]2C[C@@H]2C)C2CC2)n1 89705680 PYSKWZIICCLNKU-XVKPBYJWSA-N 236.340 2.603 0 40 BFAB c1csc(-c2noc(C[C@H]3CCCO3)n2)c1 89800076 WTBQNBIEUWIYFF-MRVPVSSYSA-N 236.296 2.520 0 40 BFAB Cc1n[nH]c(C)c1-c1cc(N)ccc1Cl 95478031 UWMDWANGYPXDSS-UHFFFAOYSA-N 221.691 2.929 0 40 BFAB Fc1cc(Cn2ccnc2)ccc1Cl 95731887 OKWUOIJVCLIQOM-UHFFFAOYSA-N 210.639 2.724 0 40 BFAB CC(C)CN1CC[C@H](C(=O)O)c2ccccc21 96515735 UVWCFVIWXDTBFC-LBPRGKRZSA-N 233.311 2.721 0 40 BFAB Cc1ncccc1CN(C)[C@H](C)c1cccnc1 97375277 QMCWOFRSCFDGCE-CYBMUJFWSA-N 241.338 2.978 0 40 BFAB O=C1c2cccc(F)c2OC[C@H]1c1cccnc1 103231176 VUOFDHXIEUNPPC-NSHDSACASA-N 243.237 2.580 0 40 BFAB Cc1ccc2c(c1)CCN(C(=O)[C@@H]1C[C@@H]1C)C2 195579990 ORPIDZYVJJRZGX-SMDDNHRTSA-N 229.323 2.536 0 40 BFAB C[Si](C)(C)c1ccc(F)c(F)c1F 195896046 MUBMWUOZQHKRRK-UHFFFAOYSA-N 204.267 2.649 0 40 BFAB COc1cc(Br)cc(OC)c1C 216545082 BZRWBXDLFPQBIK-UHFFFAOYSA-N 231.089 2.775 0 40 BFAB Cc1nn(CCF)cc1NCCC(C)C 256051692 KEEMLWYLNDARGX-UHFFFAOYSA-N 213.300 2.619 0 40 BFAB CC(C)n1ccc(COCC(F)(F)F)n1 408717295 YAXYCZSWIBTDKW-UHFFFAOYSA-N 222.210 2.543 0 40 BFAB Cc1nc(-c2cnc(Cl)nc2Cl)ns1 585090225 OJZQZLGBDSFYRS-UHFFFAOYSA-N 247.110 2.610 0 40 BFAB CCc1[nH]c2ccc(OC)cc2c(=O)c1CC 685938735 VAFTVVYNQWLSIG-UHFFFAOYSA-N 231.295 2.662 0 40 BFAB O=C(/C=C/c1ccccc1)Oc1cccnc1 43539 RWSHZOMUJARMSN-CMDGGOBGSA-N 225.247 2.700 0 40 BFAB biogenic c1cncc(-c2cnc3ccccc3n2)c1 267140 DEZOPDJYXKJVGA-UHFFFAOYSA-N 207.236 2.692 0 40 BFAB CC(C)CC(=O)NCCc1ccc(F)cc1 1457083 QUGNQBROAYIBOF-UHFFFAOYSA-N 223.291 2.531 0 40 BFAB CCN(CC)CCC(=O)c1ccccc1 1508815 YZTCGYARZGKANI-UHFFFAOYSA-N 205.301 2.601 0 40 BFAB biogenic CCCCn1c(=O)oc2ccc(C)cc21 2489090 DGFMKJGNAYBXIG-UHFFFAOYSA-N 205.257 2.703 0 40 BFAB Cc1nn2c(-c3ccco3)ccnc2c1Cl 2788308 XYASDCFHLDSCME-UHFFFAOYSA-N 233.658 2.951 0 40 BFAB O=[N+]1c2ccccc2N(O)[C@H]2CCCC[C@@H]21 6576142 WEAXWSKLDPWFAV-RYUDHWBXSA-N 219.264 2.617 0 40 BFAB O=C(/C=C/Sc1ccccc1)NC1CC1 7952955 QPMVLVVINHJDKU-CMDGGOBGSA-N 219.309 2.571 0 40 BFAB Cc1cccc(OCC[C@@H]2CCCCN2)c1 14632329 SXHLAPAHITZCGJ-ZDUSSCGKSA-N 219.328 2.906 0 40 BFAB CC(C)CNC(=O)Nc1ccc(F)cc1 15202398 CYBUQGBJNVBSOM-UHFFFAOYSA-N 210.252 2.603 0 40 BFAB Nc1cccc(COCc2ccco2)c1 19272666 MVBPXKRSAKNDTQ-UHFFFAOYSA-N 203.241 2.579 0 40 BFAB in-vitro Cn1cccc1C(=O)c1oc2ccccc2c1N 32831290 QUMOFKBYFDYFHM-UHFFFAOYSA-N 240.262 2.585 0 40 BFAB Cc1cccc(-c2nnc3ccc(Cl)nn23)c1 33268221 CYXIEKHYQSGBEC-UHFFFAOYSA-N 244.685 2.753 0 40 BFAB CC(C)(C)NCc1ccc(-n2ccnc2)cc1 35053603 PKFUZMFVYXKQGM-UHFFFAOYSA-N 229.327 2.760 0 40 BFAB COc1ccc(C(=O)CC(C)C)c(OC)c1 36161084 GIQGVYZYHMFKNN-UHFFFAOYSA-N 222.284 2.933 0 40 BFAB CSCc1cccc(C(=O)NC(C)C)c1 36395983 LGQNWDXBDIMMGJ-UHFFFAOYSA-N 223.341 2.688 0 40 BFAB O=C(O)[C@@H]1C[C@H]1c1ccc(Br)s1 37380513 RZYSPHTVUJNTOY-RFZPGFLSSA-N 247.113 2.699 0 40 BFAB COCCCOc1cccc(Br)c1 37506377 GPOIMWAUHQDVLX-UHFFFAOYSA-N 245.116 2.864 0 40 BFAB Fc1ccc(-c2nc(Cn3ccnc3)co2)cc1 40493363 XYHGGWGZSQBPBL-UHFFFAOYSA-N 243.241 2.726 0 40 BFAB Cc1ccc(CNC(=O)Nc2cc(C)on2)cc1 41462130 SMPGJSSSUCDLHN-UHFFFAOYSA-N 245.282 2.613 0 40 BFAB O=C(NCc1ccccc1F)Nc1ccccn1 46071887 HFKHLXSRKSPGAF-UHFFFAOYSA-N 245.257 2.542 0 40 BFAB NC(=O)c1cccc(CSC2CCCC2)c1 47438572 JXOGYPSSGFIXGT-UHFFFAOYSA-N 235.352 2.961 0 40 BFAB N[C@H](CC1CCOCC1)c1ccc(F)cc1 53789393 OPCKTZHXDWQCRC-CYBMUJFWSA-N 223.291 2.642 0 40 BFAB CCOC(=O)c1coc(-c2ccc(OC)cc2)n1 71621914 FOTKZDNUFXHOQS-UHFFFAOYSA-N 247.250 2.527 0 40 BFAB Cc1cc(Cl)ccc1NS(=O)(=O)C1CC1 71793201 DTXBRPHYQOEQFP-UHFFFAOYSA-N 245.731 2.553 0 40 BFAB CCOc1cc(C(=O)NC(C)C)cc2occc12 72240122 JCPCSCXRJURWDD-UHFFFAOYSA-N 247.294 2.970 0 40 BFAB COCc1noc(-c2oc3ccccc3c2C)n1 78774866 OQSAEMIQOCBZKV-UHFFFAOYSA-N 244.250 2.938 0 40 BFAB c1cc(CN2CCC[C@H]2C2CCCC2)on1 79393819 TWLHPNADDGALNP-ZDUSSCGKSA-N 220.316 2.829 0 40 BFAB CCCOc1ccc(C=O)c2cccnc12 83224175 DXVLBLGWTASAJP-UHFFFAOYSA-N 215.252 2.836 0 40 BFAB O=C(O)C1(c2ccc(Cl)nc2)CCCC1 83323067 BLNYEXHNKMDGIM-UHFFFAOYSA-N 225.675 2.631 0 40 BFAB NCCc1ccc(Br)c(Cl)c1 84530243 PZUNBCNQSGQENT-UHFFFAOYSA-N 234.524 2.604 0 40 BFAB CCCn1cc(NC2CCSCC2)cn1 90191979 LJNSYXSPXJOQDP-UHFFFAOYSA-N 225.361 2.601 0 40 BFAB CS[C@H]1CCC[C@H]1N(C)Cc1cscn1 96441763 UFHSOHOHLBRHHK-MNOVXSKESA-N 242.413 2.859 0 40 BFAB CCCN(Cc1ccco1)C[C@@H](N)[C@@H](C)CC 96523962 JQQBLKOMBMKRRE-GXTWGEPZSA-N 238.375 2.865 0 40 BFAB O=C1CC(c2ccc(-c3ccccc3)cc2)=NN1 100028475 PGJQRTHXGLIPQM-UHFFFAOYSA-N 236.274 2.578 0 40 BFAB CCC[C@@H](NN)c1ccc(Br)cc1 161796271 NPWHWFRUUHAOFD-SNVBAGLBSA-N 243.148 2.754 0 40 BFAB CC(C(=N)N)(c1ccccc1)c1ccccc1 197538920 QKRRWGMVNWXTLL-UHFFFAOYSA-N 224.307 2.929 0 40 BFAB CCCc1nc(N)c2oc3ccccc3c2n1 217688166 GUGFXAFIKBGHCY-UHFFFAOYSA-N 227.267 2.911 0 40 BFAB Cc1cc(C)cc(NC(=O)c2cnc(C)nc2)c1 222587752 SJVFGALDVCBFDA-UHFFFAOYSA-N 241.294 2.654 0 40 BFAB CNCc1cccn1[C@@H](C)c1ccccc1 223690768 LDZOPBZFPQQJGC-LBPRGKRZSA-N 214.312 2.817 0 40 BFAB CC[C@H](C)n1ccc(CNCCCOC)c1 223693384 CEAVWHOQTDUOCD-LBPRGKRZSA-N 224.348 2.585 0 40 BFAB CC[C@@H](NC(=O)COC)c1ccc(C)cc1C 224467858 PONBBEPVHNYRTB-CYBMUJFWSA-N 235.327 2.517 0 40 BFAB FCCn1nccc1NCc1ccc(F)s1 256050496 FGAIYJFWMOFGJG-UHFFFAOYSA-N 243.282 2.665 0 40 BFAB Fc1cccc(CN[C@@H]2CCC[C@H]2F)c1 1776008690 MKONKKDHLDAOOP-VXGBXAGGSA-N 211.255 2.806 0 40 BFAB Cc1ccccc1C(=O)Nc1ccccn1 304662 MRKIJNKNOOCNBP-UHFFFAOYSA-N 212.252 2.642 0 40 BFAB CC1CCN(CC(=O)c2ccccc2)CC1 1683155 NXTPCGSVGBLUDI-UHFFFAOYSA-N 217.312 2.601 0 40 BFAB Cc1csc(-n2sc3ccccc3c2=O)n1 3207260 SIAIUZRYGLHACR-UHFFFAOYSA-N 248.332 2.817 0 40 BFAB CC(C)(C)C(=O)Nc1ccc(Cl)cn1 5726574 AURRUSCTIJAPQH-UHFFFAOYSA-N 212.680 2.720 0 40 BFAB in-vitro CCCC(=O)Nc1ccc(C(=O)OC(C)C)cc1 5950948 VCMQDXQCQGVXPJ-UHFFFAOYSA-N 249.310 2.990 0 40 BFAB O=C(O)Cc1csc(C2CCCCC2)n1 11761040 ORXQKYHMZPAPGT-UHFFFAOYSA-N 225.313 2.818 0 40 BFAB CC(C)c1cccc(O[C@@H](C)C(=O)O)c1 11956987 IGTSFDFHCYFQCS-VIFPVBQESA-N 208.257 2.662 0 40 BFAB in-vitro Clc1cccc(O[C@@H]2CCNC2)c1Cl 14632095 HWIJGDCELKUNLE-SSDOTTSWSA-N 232.110 2.734 0 40 BFAB CCCNC(=O)N1CCC[C@@H]1c1ccco1 15837781 VLTWFFAPLRIRPD-SNVBAGLBSA-N 222.288 2.536 0 40 BFAB Cc1ccccc1O[C@@H](C)CNC[C@H]1CCCO1 19737895 QQMGUCADIKMKLI-UONOGXRCSA-N 249.354 2.531 0 40 BFAB COc1ccc(OC)c(NCc2ccco2)c1 19910410 LFCZUIMMMUJCHZ-UHFFFAOYSA-N 233.267 2.909 0 40 BFAB Fc1ccc(NCc2ccccn2)c(F)c1 19952471 WNIFZTLYRMLXLG-UHFFFAOYSA-N 220.222 2.972 0 40 BFAB in-vitro NCC1(c2ccc(C(F)(F)F)cc2)CC1 20357678 CXJPNOOLBLPGAZ-UHFFFAOYSA-N 215.218 2.696 0 40 BFAB CCCn1c(=S)[nH]c2ccsc2c1=O 21949003 WUEZOMXQGGBHHI-UHFFFAOYSA-N 226.326 2.531 0 40 BFAB Cc1cc(NC2CCCCC2)nc(C)n1 24985395 JPTTUVMOYBRFJP-UHFFFAOYSA-N 205.305 2.838 0 40 BFAB CC1CCN([C@@H]2OC(=O)c3ccccc32)CC1 27662427 QNDAZYBZKBUSHE-CYBMUJFWSA-N 231.295 2.588 0 40 BFAB CCn1cc(NC(=O)CCc2ccsc2)cn1 27918549 HEJCLALJLRVSER-UHFFFAOYSA-N 249.339 2.536 0 40 BFAB CCOC(=O)c1coc(-c2ccc(C)cc2)n1 33835744 NQPSUHIEFYILTI-UHFFFAOYSA-N 231.251 2.827 0 40 BFAB FC1(F)OC(Cl)(Cl)C(Cl)(Cl)O1 34104089 IHFHXHCEXDIKMG-UHFFFAOYSA-N 247.839 2.846 0 40 BFAB O=C(O)[C@H](Cc1ccccc1)Nc1ccccc1 34544708 ONLXDDXNWDCHRV-AWEZNQCLSA-N 241.290 2.794 0 40 BFAB O=c1ccc(-c2ccc(Cl)cc2Cl)n[nH]1 36168306 VJBDJBZVJBHYBI-UHFFFAOYSA-N 241.077 2.744 0 40 BFAB CC(C)CCn1ncc2ccc(N)cc21 36867285 NOQMYAVCENHQNZ-UHFFFAOYSA-N 203.289 2.665 0 40 BFAB Fc1cc(Br)cc(CNC2CC2)c1 37034378 XSUZPZXNKWPQPE-UHFFFAOYSA-N 244.107 2.840 0 40 BFAB CC(C)(C)OC(=O)CC(=O)c1cccs1 38867919 FUKFQQXUTHCSIG-UHFFFAOYSA-N 226.297 2.663 0 40 BFAB O=C(O)C1(c2cccc3ccccc23)CC1 39199633 OUJODVKEBCXFEI-UHFFFAOYSA-N 212.248 2.956 0 40 BFAB O=C(OCc1ccccc1)N1CCC=CCC1 39940660 GNRFEHXMWFHVBQ-UHFFFAOYSA-N 231.295 2.975 0 40 BFAB C[C@@H](Cc1ccco1)NC(=O)[C@H]1CC=CCC1 40074709 NZQAQPUXSWLLRF-RYUDHWBXSA-N 233.311 2.683 0 40 BFAB COc1ccccc1NCc1cscn1 40420053 UTVJQDZFBFAWFD-UHFFFAOYSA-N 220.297 2.764 0 40 BFAB O=C(C1CC1)N1CCC[C@H]1c1ccsc1 46912563 VNWQGEQOMZKDMR-NSHDSACASA-N 221.325 2.822 0 40 BFAB Cc1ccc(CN[C@@H]2CCCC[C@@H]2O)c(C)c1 51989804 RCKNVDMYRRKLSE-CABCVRRESA-N 233.355 2.697 0 40 BFAB O=C(CCc1cccnc1)c1ccccc1 62165580 VUZLPVAXOHPRLL-UHFFFAOYSA-N 211.264 2.897 0 40 BFAB O=C(OC1CCCCC1)c1ccnc(F)c1 63450841 IASYDCCKZIEHAK-UHFFFAOYSA-N 223.247 2.710 0 40 BFAB in-vitro COc1ncc([C@@H]2CCCCN2C)cc1C 72217735 RBWDZKNOHAAYOK-LBPRGKRZSA-N 220.316 2.555 0 40 BFAB O=C(O)C1(c2cc(-c3ccccc3)on2)CCC1 72220598 PYPISWCTIJAMFT-UHFFFAOYSA-N 243.262 2.848 0 40 BFAB CC(=O)N1CCCC[C@@H]1c1ccsc1 72221708 XQMVRBLZFWYZEH-LLVKDONJSA-N 209.314 2.822 0 40 BFAB O=Cc1ccc(-c2ccc3c(c2)OCCO3)s1 77599794 AUZBGAWINVTAAW-UHFFFAOYSA-N 246.287 2.999 0 40 BFAB COC(=O)CCCCC(=O)c1ccc(C)cc1 79124937 YAPAOKIDKWNINF-UHFFFAOYSA-N 234.295 2.911 0 40 BFAB CSCCCN(C)Cc1csc(C)n1 84274709 NZPWVJIZURYUTE-UHFFFAOYSA-N 230.402 2.636 0 40 BFAB Cc1ncc2[nH]ccc2c1Br 89212948 QDIUFVXPYSYVAY-UHFFFAOYSA-N 211.062 2.634 0 40 BFAB O=C(C1CCCC1)N1C[C@H]2CC=CC[C@H]2C1 89817983 QZMUKQBDNHSLRM-BETUJISGSA-N 219.328 2.601 0 40 BFAB CC1(C)COC2(C[C@@H]3CC=C[C@@H]3C2)OC1 95929134 MFPZHVAUQQEPCD-MNOVXSKESA-N 208.301 2.742 0 40 BFAB C[C@@H](CCCN(C)C)N[C@H]1CCc2ccccc21 96009142 ZNRLYUZRFPMSPK-BBRMVZONSA-N 246.398 2.994 0 40 BFAB CS[C@H]1CCN(C(=O)c2ccccc2C)C1 96119989 VSVDVPUJWMJFJC-NSHDSACASA-N 235.352 2.573 0 40 BFAB Cc1c(O)cc2c(c1C)O[C@](C)(CO)C[C@@H]2C 98175225 VOPROHVTWCUDFE-RTHLEPHNSA-N 236.311 2.646 0 40 BFAB O=C([C@@H]1CCCO1)N1CCC=Cc2ccccc21 190114533 QIBKQSPEZYMKNU-AWEZNQCLSA-N 243.306 2.616 0 40 BFAB CCn1cc(-c2ccc(C)cc2O)cn1 218802003 UQXAXJHVGFBZKU-UHFFFAOYSA-N 202.257 2.584 0 40 BFAB C[C@H](OCc1ccc(Cl)cc1)[C@H]1CO1 256051751 KKNGNXVQLIIYOV-GZMMTYOYSA-N 212.676 2.644 0 40 BFAB CCOC(=O)C1(c2ccccc2OCC)CC1 258154539 XQHNIDHYMVNQEB-UHFFFAOYSA-N 234.295 2.680 0 40 BFAB CCSCCCN[C@@H]1CSC1(C)C 308490568 QYYKAKSPWLVDNP-SECBINFHSA-N 219.419 2.613 0 40 BFAB CC[C@H](C)C(=O)c1ccc(N2CCOCC2)cc1 575358699 OMBCFLJRCFZOMT-LBPRGKRZSA-N 247.338 2.752 0 40 BFAB CCc1[nH]c2c(C)cccc2c(=O)c1CC 685938802 YOLOWANVMCIDPV-UHFFFAOYSA-N 215.296 2.961 0 40 BFAB c1ccc2c(c1)ncn2CNc1nccs1 1090292 RXZGIWOTNIEKCS-UHFFFAOYSA-N 230.296 2.562 0 40 BFAB COC(=O)[C@@H](C)Oc1cc(C)cc(C)c1C 1459109 KWEIDPGSIAMSON-LLVKDONJSA-N 222.284 2.552 0 40 BFAB CCCCCC(=O)NCc1ccccc1 1566654 ODWJLEVLUVELOR-UHFFFAOYSA-N 205.301 2.883 0 40 BFAB O=c1cc(/C=C/c2ccccc2)cccc1O 1662624 BUJWOAXMIRDTKZ-MDZDMXLPSA-N 224.259 2.923 0 40 BFAB c1ccc2c(c1)CCc1c-2nc2n1CCC2 1781193 LWAVEKARRGSOHI-UHFFFAOYSA-N 210.280 2.595 0 40 BFAB OCc1c(C(F)(F)F)ccc(Cl)c1F 2574959 VDEDOZYRVFBTPC-UHFFFAOYSA-N 228.572 2.990 0 40 BFAB Cc1ccc(NC(=O)c2ccccn2)cc1 3548018 WORRRULUJWEBMH-UHFFFAOYSA-N 212.252 2.642 0 40 BFAB CNc1ccc([S@@](=O)Nc2ccccc2)cc1 5536756 BXURZDSVRMWIKM-KRWDZBQOSA-N 246.335 2.863 0 40 BFAB COCc1nn2cc(-c3ccccc3)nc2s1 6748248 FPRCELGICKRMFN-UHFFFAOYSA-N 245.307 2.604 0 40 BFAB CSc1nnc(NCc2ccccc2)s1 8192514 FNWGNFCBJICGSG-UHFFFAOYSA-N 237.353 2.872 0 40 BFAB CC1(C)[C@@H](O)C[C@@]23CCC[C@@](C)(C[C@@H](O)[C@H]12)C3 8665485 XUAASKRYNOBPBG-FMKNKJFCSA-N 238.371 2.725 0 40 BFAB O=C(O)CSc1ccc(-n2cccc2)cc1 8701948 PLUUSSWSQWIDMK-UHFFFAOYSA-N 233.292 2.654 0 40 BFAB CCC[C@@H](C)C(=O)Nc1ccccc1N 8703395 PDTIUNJKTJJDPS-SECBINFHSA-N 206.289 2.644 0 40 BFAB COc1cc(C)c(NC(=O)C(C)C)cc1OC 14712982 QANABDDGBMINRD-UHFFFAOYSA-N 237.299 2.607 0 40 BFAB COc1cccc(/C=C/C(=O)N2CCCCC2)c1 16891328 CLCXERMGGJMVMS-CMDGGOBGSA-N 245.322 2.721 0 40 BFAB CCOc1ccc(C(=O)OC2CCCC2)cc1N 20155567 VUKCWQACAZCEES-UHFFFAOYSA-N 249.310 2.767 0 40 BFAB CC[C@H](C)Oc1ccc(C(=O)O)cc1OC 20217272 KLHOKECCWSQVJS-QMMMGPOBSA-N 224.256 2.571 0 40 BFAB O=C(Nc1c[nH]c2ccccc12)c1ccncc1 20536607 MXNHHMDDESOMBD-UHFFFAOYSA-N 237.262 2.815 0 40 BFAB C[C@H](CN[C@H](C)Cn1ccnc1)c1ccccc1 35275272 ISVMDQHHEFJSMN-ZIAGYGMSSA-N 243.354 2.665 0 40 BFAB O=C(CCC1CCCC1)NCC(F)(F)F 42236855 BNFUBGLWLVREIZ-UHFFFAOYSA-N 223.238 2.635 0 40 BFAB CCCOc1ccc(OC[C@H]2CCCNC2)cc1 42782855 HPSHSJSRPNOVHM-ZDUSSCGKSA-N 249.354 2.854 0 40 BFAB C[C@H]1CCCC[C@H]1NC(=O)CC(F)(F)F 43070931 WHJAJWGWXYOJFY-JGVFFNPUSA-N 223.238 2.634 0 40 BFAB Cn1ncc2c1N=C(O)C[C@H]2c1cccs1 49545319 NMAZTUPCDNAHOC-SSDOTTSWSA-N 233.296 2.605 0 40 BFAB C[C@@H](O)Cc1ccc(Br)cc1F 53784412 OKZVKJZNCOMXHY-ZCFIWIBFSA-N 233.080 2.512 0 40 BFAB Cc1nnc(CN(C)C2CCCCCC2)o1 53907158 RTTPAEBCUAGBAV-UHFFFAOYSA-N 223.320 2.533 0 40 BFAB Nc1cc(-c2cn3ccsc3n2)ccc1F 61957804 SGDJWMZMHGYPKX-UHFFFAOYSA-N 233.271 2.784 0 40 BFAB O=C(OCc1cccs1)c1ccnc(F)c1 71790894 QBJNWWULHUVRPY-UHFFFAOYSA-N 237.255 2.639 0 40 BFAB in-vitro CCC(=O)N(Cc1cccnc1)Cc1ccco1 71837596 SNVUDGOUDVGQHS-UHFFFAOYSA-N 244.294 2.613 0 40 BFAB COCC(=O)N(C)[C@H](c1ccccc1C)C(C)C 71900073 BREMVUDAXSXARA-HNNXBMFYSA-N 249.354 2.797 0 40 BFAB CC(C)CNc1ncccc1[C@@H]1CCCN1C 72213239 NNHAVFOERAWROM-ZDUSSCGKSA-N 233.359 2.916 0 40 BFAB CCSc1ccc(C2=NCCC2)cn1 72217102 OKBMQUQGUWDCLI-UHFFFAOYSA-N 206.314 2.777 0 40 BFAB Cc1cc(C)c(-c2cc(CCN)[nH]n2)c(C)c1 72226122 WJCUAUAQSRDULE-UHFFFAOYSA-N 229.327 2.503 0 40 BFAB Cc1nc([C@H]2CCCN2Cc2ccccc2)no1 75573191 SJRPQICGKXUZJZ-CYBMUJFWSA-N 243.310 2.715 0 40 BFAB CC(C)[C@@H]1CN(C(=O)C(C)(C)C)CCS1 76067375 GQBWFTNWBIJZIH-JTQLQIEISA-N 229.389 2.633 0 40 BFAB Cc1cc(F)ccc1CNc1nncs1 83352548 OMRCAIHRNJKWCB-UHFFFAOYSA-N 223.276 2.598 0 40 BFAB CC(C)CC(C)(C)CNCc1nccn1C 83476152 AXZGBTGDUHHULY-UHFFFAOYSA-N 223.364 2.582 0 40 BFAB Cc1ccc(N)c(N2CCCC[C@H]2C)c1 87149396 HBSZEAQMHPLDIC-LLVKDONJSA-N 204.317 2.956 0 40 BFAB CC(C)(C)OC(=O)N1CCC[C@H]2[C@@H]1C2(F)F 95875799 HDWQLYOAWXSNNF-JGVFFNPUSA-N 233.258 2.651 0 40 BFAB C[C@H]1CC[C@@H]1COc1cccc(C(=O)O)c1 96526469 OEURKRGZXDFXHF-GXSJLCMTSA-N 220.268 2.810 0 40 BFAB COc1ccc([S@@](=O)CC2CCCC2)cc1 97033800 LWCAJVKTTNVMAR-MRXNPFEDSA-N 238.352 2.993 0 40 BFAB C1=C[C@@H]2CC[C@@H](C1)N2CCN1[C@H]2C=CC[C@H]1CC2 100564390 FCGKQXQBLOTDIG-RUPPMWDTSA-N 244.382 2.572 0 40 BFAB C[C@H](NC(=O)c1ccncc1)[C@H]1C[C@H]2CC[C@H]1C2 102840131 QWPBNHGILXSDPW-AUZPSNTRSA-N 244.338 2.636 0 40 BFAB O=C(O)c1cccn1-c1nc2ccccc2s1 111823842 SKQLWHLTVTWGSZ-UHFFFAOYSA-N 244.275 2.785 0 40 BFAB O=C(O)/C=C\c1cc(Cl)c(F)cc1F 167418811 AXQLBJZFLDRWAD-UPHRSURJSA-N 218.586 2.716 0 40 BFAB COC(=O)CCc1ccc2[nH]c(C(C)C)nc2c1 217767778 RWNCVNZCBQQERM-UHFFFAOYSA-N 246.310 2.792 0 40 BFAB COc1ccc2c(c1)nc1n2CC[C@@H](C)C1 226251441 CTCRJJMLNANMNQ-SECBINFHSA-N 216.284 2.627 0 40 BFAB CC[C@@H](C)C(=O)c1ccccc1C(=O)OC 309508225 NCFYSJNEIHAWKP-SECBINFHSA-N 220.268 2.702 0 40 BFAB CCCOCc1c(Br)cnn1CC 408716907 SOGGCQRPDAHSSN-UHFFFAOYSA-N 247.136 2.592 0 40 BFAB CC(C)(C)OC(=O)N[C@H]1CCC(=O)C(C)(C)C1 606303184 NFJUQNIPKVWOLD-VIFPVBQESA-N 241.331 2.659 0 40 BFAB CCCNCc1nc(-c2ccc(C)cc2)no1 2487502 PEIGMRABQPDUHB-UHFFFAOYSA-N 231.299 2.545 0 40 BFAB COc1cccc(CC(=O)Nc2ccccc2)c1 3481043 IMUCLRIJBGJUJB-UHFFFAOYSA-N 241.290 2.876 0 40 BFAB O=C(COc1cccc(F)c1)Nc1ccccc1 3607525 FAKTWRODHTVXSY-UHFFFAOYSA-N 245.253 2.843 0 40 BFAB O=C(O)c1cnc(Nc2ccccc2Cl)nc1 8730951 TVNUDBOISYZGCU-UHFFFAOYSA-N 249.657 2.572 0 40 BFAB O=C(Nc1ncccc1O)c1ccccc1Cl 9694248 CMUGBBAIPGFDRZ-UHFFFAOYSA-N 248.669 2.693 0 40 BFAB c1cc2c(c(O[C@H]3CCCNC3)c1)CCCC2 14631618 UCVXIUQDUQFZAS-ZDUSSCGKSA-N 231.339 2.696 0 40 BFAB in-vitro Cc1cc(F)c2c(Br)n[nH]c2c1 14983875 HZIDXVXOJNGYOE-UHFFFAOYSA-N 229.052 2.773 0 40 BFAB O=C(C1CCC1)N1CCC[C@@H]1c1ccccn1 19695504 HHVMHMXYTLMHCK-CYBMUJFWSA-N 230.311 2.545 0 40 BFAB CC(C)C(=O)Nc1nc(C2CC2)cs1 25559840 DHJDYIVEXLJIOL-UHFFFAOYSA-N 210.302 2.615 0 40 BFAB CN(C)CC[C@H](O)c1ccc2ccccc2c1 35327603 MOCSVQOLWDFOND-HNNXBMFYSA-N 229.323 2.825 0 40 BFAB CCOCCN[C@@H]1C[C@@H](C)CC(C)(C)C1 36228927 VNVWTBRJYBXOBM-VXGBXAGGSA-N 213.365 2.827 0 40 BFAB CC(C)[C@H](C)NC(=O)c1ccc(F)cc1 37486567 KUZFUBRSUSZSST-VIFPVBQESA-N 209.264 2.600 0 40 BFAB FC(F)(F)c1nc2nc(Cl)ccc2[nH]1 38540623 JIFFIOLNCXHOHH-UHFFFAOYSA-N 221.569 2.630 0 40 BFAB in-vitro Cc1cc(CNc2cnc3ccccc3n2)no1 49056055 BYBRXEBQPNECGC-UHFFFAOYSA-N 240.266 2.538 0 40 BFAB Sc1nc(-c2ccccc2Cl)no1 61881161 SSLTYECQEMXNAI-UHFFFAOYSA-N 212.661 2.679 0 40 BFAB in-vitro CCN(CC)c1ccc([C@H]2C[C@H]2CNC)cc1 62494910 DABXNEZNMIQRFL-DZGCQCFKSA-N 232.371 2.856 0 40 BFAB CCN(CC)c1cccc(OC[C@@H]2CCNC2)c1 66341691 YZBGNBIEIZISBY-CYBMUJFWSA-N 248.370 2.521 0 40 BFAB CCc1noc(CSc2cccs2)n1 69975537 DLRSZFZHRQGEKQ-UHFFFAOYSA-N 226.326 2.986 0 40 BFAB Nc1ccc(Cl)c(-c2ccc(C(=O)O)o2)c1 73640306 GYOMSTXWQKFUMR-UHFFFAOYSA-N 237.642 2.880 0 40 BFAB CCOc1ccc(Br)c(OCC)n1 90413161 HPFGKEJXFJIOQC-UHFFFAOYSA-N 246.104 2.642 0 40 BFAB CN(C)c1ccccc1N(C)Cc1nccs1 95977667 DQJMNOUGHXBBPQ-UHFFFAOYSA-N 247.367 2.846 0 40 BFAB CCSCC[C@@H](C)NC(=O)C[C@H]1C=CCC1 96433054 FLDPAJHHNSCHFE-NEPJUHHUSA-N 241.400 2.991 0 40 BFAB CCS[C@H]1CCCC[C@@H]1NCc1ncc[nH]1 96455618 MPBOTMUOOJYSAU-QWRGUYRKSA-N 239.388 2.564 0 40 BFAB CC(C)c1nc2ccccc2n1C[C@H]1CCCN1 96510514 WLUMGZBYOSKJIO-GFCCVEGCSA-N 243.354 2.912 0 40 BFAB CCOC(=O)CCc1ccc(OC)c(C)c1C 118892989 HMFPIIWOSFQLSJ-UHFFFAOYSA-N 236.311 2.808 0 40 BFAB Cc1cccc([C@H](O)CNc2cccc(C)n2)c1 158060811 MVUQISRXNHNEOI-CQSZACIVSA-N 242.322 2.844 0 40 BFAB NN[C@H](c1ccccc1)c1c(F)cccc1F 161806742 YMJSHSLHAQIDOY-CYBMUJFWSA-N 234.249 2.518 0 40 BFAB Cc1ccc(Cc2ccc(C(=O)O)[nH]2)cc1 216589381 JWJYJGVMGHXPDK-UHFFFAOYSA-N 215.252 2.612 0 40 BFAB CCCCc1cnoc1Br 219772693 BZJJTPWMTCSZCF-UHFFFAOYSA-N 204.067 2.780 0 40 BFAB COCCNCc1cccn1C1CCCCC1 223690469 TXURSUNJVLKYIM-UHFFFAOYSA-N 236.359 2.729 0 40 BFAB CC(C)CCNCc1ccn(CC(F)(F)F)n1 256052266 MQDCMEOXLGJQLA-UHFFFAOYSA-N 249.280 2.581 0 40 BFAB CC1(C)C[C@@H]1NC(=O)C[C@@H]1CCCC1(F)F 822643428 WXEGPHOIFHYDJU-IUCAKERBSA-N 231.286 2.727 0 40 BFAB CC(C)NC(=S)Nc1cc(Cl)ccc1N 953000217 BMBIKPLJXGWHEF-UHFFFAOYSA-N 243.763 2.617 0 40 BFAB C[C@]12CNC[C@](C)(CN(Cc3ccccc3)C1)C2 342439 RPDROMBVACPETO-IYBDPMFKSA-N 244.382 2.508 0 40 BFAB biogenic Cc1ccc2c(c1)NC(=O)c1cccnc1N2 382847 OIUJVUKXAYFBLI-UHFFFAOYSA-N 225.251 2.699 0 40 BFAB biogenic CCN1CCC[C@H](OC(=O)Nc2ccccc2)C1 497472 YCZFJKXCQJCNHN-ZDUSSCGKSA-N 248.326 2.719 0 40 BFAB CSc1ccc([C@@H](O)CNC(C)C)cc1C 1565070 RACXDCLXISSWSX-LBPRGKRZSA-N 239.384 2.748 0 40 BFAB CN(C)c1ccc2c(c1N)Cc1ccccc1-2 1687578 IFPCALRLICGSTM-UHFFFAOYSA-N 224.307 2.906 0 40 BFAB Oc1ccc(CCNC2CCCCC2)cc1 1710436 BHUQACDIQJWKAM-UHFFFAOYSA-N 219.328 2.857 0 40 BFAB C[C@H](O)CCCCCCCCCC(=O)O 6020554 KQGAHNAFXMVSGY-NSHDSACASA-N 216.321 2.963 0 40 BFAB biogenic,in-vitro c1ccc2c(SCc3ccno3)ncnc2c1 9254123 BQJSUFTZRNSENT-UHFFFAOYSA-N 243.291 2.910 0 40 BFAB O=C1C[C@H](c2cccc(Cl)c2)Cc2[nH]ncc21 10156787 VPYIKCALJPSVPO-SECBINFHSA-N 246.697 2.976 0 40 BFAB NCCCOc1ccc2ccccc2c1 11569614 GGPOZDBJXGCCPA-UHFFFAOYSA-N 201.269 2.567 0 40 BFAB in-vitro O=C(O)Cc1ccc(COc2ccccc2)cc1 11802098 QBURWARFRCEQQA-UHFFFAOYSA-N 242.274 2.893 0 40 BFAB Nc1ccccc1N1CCc2ccccc21 12540134 FTCUPLCIWYYZLT-UHFFFAOYSA-N 210.280 2.963 0 40 BFAB CC(C)(C)NC(=O)c1cc(-c2ccccc2)n[nH]1 13496738 NJVDWUWIDOYPJX-UHFFFAOYSA-N 243.310 2.605 0 40 BFAB CC(C)(C)CC(=O)Nc1ccc(CC(=O)O)cc1 19257168 MTDFRKQOCOBRRK-UHFFFAOYSA-N 249.310 2.688 0 40 BFAB CCN[C@@H](C)c1ccc2c(c1)OCCCO2 19802115 QFJAEXOJFZSESN-JTQLQIEISA-N 221.300 2.518 0 40 BFAB in-vitro NC1(CN2CCCCCC2)CCCCC1 20072027 NEUFJZQCNBXOCC-UHFFFAOYSA-N 210.365 2.524 0 40 BFAB O=C(O)c1ccccc1-c1ccc(CO)cc1 21984012 KAARHTQCNDPYDY-UHFFFAOYSA-N 228.247 2.544 0 40 BFAB in-vitro CC(=O)N[C@H](C)c1ccc(-n2cccc2)cc1 28304892 BNRYBFWRLREJCA-LLVKDONJSA-N 228.295 2.674 0 40 BFAB Nc1ccccc1CCCCCCC(=O)O 31165273 ZFXXVVRQQNCNDM-UHFFFAOYSA-N 221.300 2.846 0 40 BFAB biogenic,in-vitro NCC/C=C/c1ccc(Br)cc1 32015137 IKJXBKANAGGGPP-HNQUOIGGSA-N 226.117 2.811 0 40 BFAB O=C(Cc1cccc2ccccc12)NCC1CC1 32906063 FCPMSIIGQRDFSL-UHFFFAOYSA-N 239.318 2.909 0 40 BFAB C[C@@H](NC(=O)NCC1CC1)c1cccc(F)c1 32909453 QUWJUPZHNJCWLM-SECBINFHSA-N 236.290 2.596 0 40 BFAB C[C@H]1CCC[C@@H](NC(=O)/C=C/c2cccnc2)C1 33185053 XTTALFPNMRPTQE-IRORGTOCSA-N 244.338 2.790 0 40 BFAB C[C@H](Cc1ccccc1F)C(=O)N1CCCC1 36172721 JXBAOMXOWZYGRZ-LLVKDONJSA-N 235.302 2.627 0 40 BFAB NCc1ccc(-c2cc(F)cc(F)c2)o1 36929564 FMPXLHOKUUEXNP-UHFFFAOYSA-N 209.195 2.684 0 40 BFAB CCNc1ccc(C(=O)O)cc1Br 39951872 JEGXBFJIMRVBCH-UHFFFAOYSA-N 244.088 2.579 0 40 BFAB O=C(O)c1cccc(Oc2nccs2)c1 42415479 MLQUPWHFFILBPO-UHFFFAOYSA-N 221.237 2.634 0 40 BFAB in-vitro O=C(NC1CC1)N1CCC(c2ccccc2)CC1 49127176 NCHUOSMPVBQYSZ-UHFFFAOYSA-N 244.338 2.738 0 40 BFAB CC(=O)N1CCC(CCc2ccccc2)CC1 54131585 AMGMJRZSZBIPPQ-UHFFFAOYSA-N 231.339 2.878 0 40 BFAB Cc1nc(N2CCCCCC2)ccc1[C@H](C)N 72224578 KRDZDGBIRLMSAU-NSHDSACASA-N 233.359 2.790 0 40 BFAB CC(C)CNC(=O)c1cn[nH]c1-c1cccs1 72329435 FKIDNJCJPLAPKS-UHFFFAOYSA-N 249.339 2.524 0 40 BFAB CCC[C@H]1CCN(C(=O)Nc2cccnc2)C1 72932289 OIHFORWJEAJTOZ-NSHDSACASA-N 233.315 2.736 0 40 BFAB CC[C@@H]1C[C@H](C)CN1CCN1CCCCC1 80660063 OEYPFPDYDWDACF-UONOGXRCSA-N 224.392 2.593 0 40 BFAB CCOC(=O)CCc1c[nH]c2ccc(C)cc12 81200191 QFYOUEUDZJAIPA-UHFFFAOYSA-N 231.295 2.972 0 40 BFAB CC(C)[C@H](C)SCc1cc(=O)c(O)co1 95414716 ODJJMJYDMJBXPS-QMMMGPOBSA-N 228.313 2.623 0 40 BFAB Cn1cccc1[C@H](O)c1cc(F)c(F)c(F)c1 95727929 LXYYICMDEILBHN-GFCCVEGCSA-N 241.212 2.524 0 40 BFAB CCOCCCC(=O)NCc1ccccc1CC 96418794 WCXBVAKXEGYQNW-UHFFFAOYSA-N 249.354 2.682 0 40 BFAB CO[C@@H](CNc1ccccn1)c1ccccc1 96429144 SIQHQNNMRSAZPA-ZDUSSCGKSA-N 228.295 2.881 0 40 BFAB CC(C)CCS(=O)(=O)Cc1cccc(F)c1 97325326 AJEGRQWEKMYOSJ-UHFFFAOYSA-N 244.331 2.787 0 40 BFAB CC[C@H](NCC(F)(F)F)c1c(C)nn(C)c1C 97374412 CFVUZRBKFCJLDE-VIFPVBQESA-N 249.280 2.640 0 40 BFAB CCc1[nH]c2cc(O)ccc2c(=O)c1C(C)C 685938599 PYPLDTMNQQBXPI-UHFFFAOYSA-N 231.295 2.920 0 40 BFAB C[C@H]1C[C@@H](NC(=S)N(C)C)CC(C)(C)C1 97026 SKCBGLHGCCBEEY-VHSXEESVSA-N 228.405 2.637 0 40 BFAB CC(=O)c1[nH]c2ccccc2c1C(C)=O 339659 MQPPGWRGKLNLFG-UHFFFAOYSA-N 201.225 2.573 0 40 BFAB O=C1Oc2ccccc2O[C@@H]1c1ccccc1 2028493 OKBXUAPUMQMEOE-CYBMUJFWSA-N 226.231 2.726 0 40 BFAB CCS(=O)(=O)Oc1ccc2ccccc2c1 2057797 QFIFKTKVBCXRND-UHFFFAOYSA-N 236.292 2.568 0 40 BFAB CC(C)(CC(=O)O)CC(=O)Nc1ccccc1 3198707 WSFDYGFIDOFAPC-UHFFFAOYSA-N 235.283 2.516 0 40 BFAB c1ccc(OC[C@@H]2CCCN3CCCC[C@H]23)nc1 3999861 DHUKKIFFTZDUTP-UONOGXRCSA-N 246.354 2.725 0 40 BFAB biogenic CC1=NN(c2nc(-c3ccccc3)no2)[C@@H](C)C1 5533201 RGKMHJFJDUEWMJ-JTQLQIEISA-N 242.282 2.711 0 40 BFAB C[C@H]1CCCN(CCC(=O)c2ccc(O)cc2)C1 5734631 PMNQLQPUOSPHEN-LBPRGKRZSA-N 247.338 2.697 0 40 BFAB CC[C@@H](Oc1ccccc1)C(=O)NCC(C)C 6119771 ZXHOOQJKLWYUHK-CYBMUJFWSA-N 235.327 2.616 0 40 BFAB O=C(c1ccoc1)N(Cc1ccco1)C1CC1 6670616 RFPNEONOOLGAII-UHFFFAOYSA-N 231.251 2.677 0 40 BFAB C[C@H]1C[C@@H](N)CC[C@H]1C[C@H]1CC[C@H](N)C[C@@H]1C 6795786 NTGJOYPFNABNES-SOAFEQHCSA-N 238.419 2.904 0 40 BFAB COc1ccccc1Oc1ncccc1C(=O)O 8729649 TVIKYFHSDBUCMH-UHFFFAOYSA-N 245.234 2.581 0 40 BFAB NC(=S)c1ccccc1CN1CCCCCC1 19505334 LYDPDWOGARBLRR-UHFFFAOYSA-N 248.395 2.697 0 40 BFAB O=C(O)c1ccnc(Nc2ccc(F)cc2)c1 19845059 IRCLDFRYCGKPSL-UHFFFAOYSA-N 232.214 2.663 0 40 BFAB Nc1ncnc2sc3c(c12)CCCCCC3 24614176 MAAGKDJTYLGSCB-UHFFFAOYSA-N 233.340 2.933 0 40 BFAB C[C@H](N)COCc1c(Cl)cccc1Cl 28521574 ITDMYLZXZAMSME-ZETCQYMHSA-N 234.126 2.857 0 40 BFAB CSc1nc(C(=O)O)cc(-c2ccccc2)n1 32102440 FJEWCKMACVHCCH-UHFFFAOYSA-N 246.291 2.564 0 40 BFAB O=C(NC(C1CC1)C1CC1)C1CCCCC1 32904232 CAYOKHJYHUXNKE-UHFFFAOYSA-N 221.344 2.872 0 40 BFAB CCOCCN[C@@H](C)c1cccc(F)c1 35151239 HZCVMBUYWHXSIP-JTQLQIEISA-N 211.280 2.513 0 40 BFAB CCCOc1ccc(CN)c(OC(F)F)c1 35413932 JPAFZOAXNVPGMW-UHFFFAOYSA-N 231.242 2.536 0 40 BFAB in-vitro NC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 36720523 LJSGLEVVMDHAGH-UHFFFAOYSA-N 238.596 2.849 0 40 BFAB C[C@H]1Cc2cc(N)ccc2N1C(=O)OC(C)(C)C 36742479 YOELJPDARJMOOO-VIFPVBQESA-N 248.326 2.955 0 40 BFAB O=Cc1cc(Cl)c(Cl)nc1Cl 39192918 FYEABNUOUCLNEP-UHFFFAOYSA-N 210.447 2.854 0 40 BFAB CCOC(=O)c1[nH]c(Br)c(C)c1C 40546717 XDHPXBCAMKOXLD-UHFFFAOYSA-N 246.104 2.571 0 40 BFAB CN(C)C(=O)Nc1cccc(Cl)c1F 48367451 YVIKABVLANASJC-UHFFFAOYSA-N 216.643 2.573 0 40 BFAB O=C1Oc2ccccc2/C1=C/c1cccc(O)c1 61190149 UHYBDARJSVRFKM-LCYFTJDESA-N 238.242 2.852 0 40 BFAB O[C@@H](c1ccc2ncccc2c1)C(F)(F)F 69050999 GPWFGVJGFGBOTD-JTQLQIEISA-N 227.185 2.831 0 40 BFAB CC[C@H](COC)NCc1ccccc1Cl 70656167 GPMANUYYWIZJRX-LLVKDONJSA-N 227.735 2.855 0 40 BFAB C[C@@H]1CCCCN1C(=O)[C@H]1Cc2ccccc21 71916452 KQIIKRRNZJYVDH-RISCZKNCSA-N 229.323 2.727 0 40 BFAB O=C(OCc1ccco1)[C@@H]1C[C@H]2C=C[C@@H]1C2 72232649 NKLRWURIOVXVAB-HOSYDEDBSA-N 218.252 2.535 0 40 BFAB Cc1cccc(NC(=O)c2cnco2)c1C 82323046 DDRLEXVJUMWYHA-UHFFFAOYSA-N 216.240 2.544 0 40 BFAB CSc1ccc(NC(N)=O)cc1Cl 83992932 KRZBAJKMEOBTQE-UHFFFAOYSA-N 216.693 2.553 0 40 BFAB CCSC[C@H](C)N(C)Cc1ccco1 93739228 WZPKBWMUYLMRHA-JTQLQIEISA-N 213.346 2.853 0 40 BFAB CCOC(=O)[C@H](C(C)C)n1c(C)ccc1C 95951455 FMDVBVIGHJERCC-LBPRGKRZSA-N 223.316 2.865 0 40 BFAB CCSc1cncc(NC2CCCC2)n1 95957177 SWAYLCHEYMGQDE-UHFFFAOYSA-N 223.345 2.943 0 40 BFAB C[C@@H]1OCC[C@H]1SCc1nccs1 95974126 XCYHAGCAVUPFRW-JGVFFNPUSA-N 215.343 2.554 0 40 BFAB OCCC[C@@H]1CCCN1CCC1CCCC1 96424254 GOJDLAPYJWSXCO-AWEZNQCLSA-N 225.376 2.804 0 40 BFAB c1ccc2c(c1)C[C@H](CN1CCCCCC1)N2 96524016 BQLJXLWAIQWMFI-CQSZACIVSA-N 230.355 2.899 0 40 BFAB Clc1cc(OCc2cccnc2)ccn1 98175297 IGGLWUMZLSJQEV-UHFFFAOYSA-N 220.659 2.709 0 40 BFAB CC[C@@H](CC1CC1)NC(=O)N1C[C@H]2CC[C@H]1C2 110591679 SUSAVLCDRFIGGY-AVGNSLFASA-N 236.359 2.759 0 40 BFAB CCCCNC(=O)[C@@H](C)Oc1ccc(C)c(C)c1 113960071 VCCGNWUAVLLJEJ-CYBMUJFWSA-N 249.354 2.987 0 40 BFAB C[C@H](NN)c1cc(Cl)sc1Cl 199535339 QCCDXBLPWGQISK-VKHMYHEASA-N 211.117 2.579 0 40 BFAB COC(=O)c1c[nH]cc1-c1cccc(F)c1 199560354 QNCBMGPTNDTKHA-UHFFFAOYSA-N 219.215 2.607 0 40 BFAB COC(=O)Cc1coc(/C=C/c2ccccc2)n1 218701937 KVJYCIORLTZUIO-BQYQJAHWSA-N 243.262 2.561 0 40 BFAB CC[C@H](C)n1c(C)cc(C(=O)OC)c1C 223696880 YIYWRCBAFPPALR-QMMMGPOBSA-N 209.289 2.863 0 40 BFAB FC(F)(F)c1n[nH]c2nc(Cl)ccc12 238580319 PJYSQLKJDPKTKR-UHFFFAOYSA-N 221.569 2.630 0 40 BFAB O=C1CCC[C@@]12CCCN2Cc1ccccc1 1690170132 WIXKZOWBPOFNFE-OAHLLOKOSA-N 229.323 2.774 0 40 BFAB C[C@H](O)C1=C(Br)CCCC1 1857794171 GSGDEJZHKYTRNY-LURJTMIESA-N 205.095 2.590 0 40 BFAB c1ccc(-c2nc(-c3ccccn3)no2)cc1 238248 VMDCHMHYENMYCK-UHFFFAOYSA-N 223.235 2.799 0 40 BFAB O=c1cccccc1NCc1ccccc1 296554 CMJPPEXKEOZMHW-UHFFFAOYSA-N 211.264 2.659 0 40 BFAB biogenic O=C1OC(c2ccccc2)=NC1=C(Cl)Cl 349148 YFQCWRFRSGFFTC-UHFFFAOYSA-N 242.061 2.637 0 40 BFAB CC[C@@H](COC(=O)c1ccccc1)NC(C)C 1709134 NCISLVIYBANXGH-ZDUSSCGKSA-N 235.327 2.620 0 40 BFAB O=C(NCc1ccccn1)NC1CCCCCC1 9379414 FIXRGPDNGSZMIC-UHFFFAOYSA-N 247.342 2.604 0 40 BFAB c1cnc2scc(N3CCCC3)c2c1 10343828 FGQHTUVWYKIQTQ-UHFFFAOYSA-N 204.298 2.897 0 40 BFAB CCCC(=O)c1c(C)cc(C(=O)O)cc1OC 14684064 ZKCUSCDHGAMOSP-UHFFFAOYSA-N 236.267 2.685 0 40 BFAB biogenic,in-vitro O=Cc1coc(-c2ccc(Cl)cc2)n1 19723020 DAPDSKOSYPXVED-UHFFFAOYSA-N 207.616 2.808 0 40 BFAB in-vitro COCCCN[C@@H](C)c1ccc(C)cc1 20142291 HZMDGHYWGKGPAP-LBPRGKRZSA-N 207.317 2.682 0 40 BFAB CCCc1noc(-c2cccnc2Cl)n1 22120296 FKPOFIHIAQBTQM-UHFFFAOYSA-N 223.663 2.738 0 40 BFAB c1ccc(C2=NCCN3[C@H]2[C@@H]3c2ccccc2)cc1 23243458 QVPANXFAXRPUEK-PZEDNMLSSA-N 248.329 2.915 0 40 BFAB CCCOc1ccc([C@@H](C)O)cc1OC 35626615 VNYPUHFTLHYXSR-SECBINFHSA-N 210.273 2.537 0 40 BFAB COc1cc(Cl)c(Br)cc1C=O 39122274 LHLIHOCGSLJTAY-UHFFFAOYSA-N 249.491 2.924 0 40 BFAB Cc1ccc(CN(C)C(=O)c2cccs2)o1 40459507 UHHPUZMRKAJITN-UHFFFAOYSA-N 235.308 2.922 0 40 BFAB CCN(CC)C(=O)Cc1csc(C(C)C)n1 40523245 QDWUICBNXNSASF-UHFFFAOYSA-N 240.372 2.677 0 40 BFAB C[C@@H](NCCn1cccn1)c1cccc(Cl)c1 42538966 QZZJMGZCSKNXCO-LLVKDONJSA-N 249.745 2.887 0 40 BFAB CCc1noc([C@H](C)N2C[C@@H](C)C[C@@H](C)C2)n1 42651727 GSIOCPGGTNDGHV-AXFHLTTASA-N 237.347 2.671 0 40 BFAB C[C@@H](Cc1ccccc1C(F)(F)F)C(=O)O 62711233 GYQRELYOATWFIH-ZETCQYMHSA-N 232.201 2.969 0 40 BFAB Cc1cc(C)c2sc(NCCN(C)C)nc2c1 70631725 VRIMNOZCTABKCC-UHFFFAOYSA-N 249.383 2.887 0 40 BFAB C[C@H](O)c1ccc(NCc2ccccc2)nc1 72225345 QZVUEXMDMWKZRU-NSHDSACASA-N 228.295 2.747 0 40 BFAB Clc1cc([C@H]2CCCN2)cnc1Cl 84250071 JGWPQSQEOKMDPJ-MRVPVSSYSA-N 217.099 2.813 0 40 BFAB CC(C)[C@H](C)CC(=O)N[C@H]1CCC[C@@H]1C 84691757 NKVNHQJBZCFEHP-TUAOUCFPSA-N 211.349 2.973 0 40 BFAB Cc1cncc(C(=O)OCc2cccs2)c1 95426578 KGEGXHYCBZULMI-UHFFFAOYSA-N 233.292 2.809 0 40 BFAB CC(=O)Cc1ccc(F)cc1C(F)(F)F 95913011 BNTDWWSIBFUJRY-UHFFFAOYSA-N 220.165 2.976 0 40 BFAB CC(C)n1cnc2cncc(Br)c21 96311241 DBAFKHMGTMKXME-UHFFFAOYSA-N 240.104 2.775 0 40 BFAB CCC1(CNC(=O)C[C@H]2CCCO2)CCCC1 96473325 FOEDSYBCMXJCIS-GFCCVEGCSA-N 239.359 2.642 0 40 BFAB CC(=O)N[C@@]1(C)[C@H]2C[C@H]([C@@H]1C)C(C)(C)[C@H]2C 100669542 NUMKLBYYJZQOGT-DGBSFBLISA-N 223.360 2.829 0 40 BFAB Cc1ccc(NC(=O)Nc2ccc(O)cc2)cn1 195575687 OVAPGBDWKWIYIK-UHFFFAOYSA-N 243.266 2.740 0 40 BFAB COC(=O)c1cccc2c(F)cccc12 238405900 DODOKFYBUFRDNV-UHFFFAOYSA-N 204.200 2.766 0 40 BFAB O=C(c1nccc(Cl)c1Cl)C1CC1 242548819 LUTLUXKOXLTKIJ-UHFFFAOYSA-N 216.067 2.981 0 40 BFAB FC(F)(F)c1cccc(O[C@H]2CCSC2)n1 585654221 FIOVKFITDBTTPE-ZETCQYMHSA-N 249.257 2.985 0 40 BFAB CC1(C)C=Cc2c(ccc3ccc(=O)oc23)O1 265504 QUVCQYQEIOLHFZ-UHFFFAOYSA-N 228.247 2.977 0 40 BFAB endogenous,in-man Cc1cccc(C)c1N1C(=O)CSC1=O 1383200 RHCLHKZHXPIUPW-UHFFFAOYSA-N 221.281 2.503 0 40 BFAB Oc1ccccc1-c1nncn1-c1ccccc1 1443623 NJLNYQWIKPAGSC-UHFFFAOYSA-N 237.262 2.640 0 40 BFAB CC[C@](CCN(C)C)(OC(C)=O)c1ccccc1 1724375 FUIVJBYQQVARHT-OAHLLOKOSA-N 249.354 2.807 0 40 BFAB CCCCOC(=O)c1ccc(NC(=O)CC)cc1 2096110 OOAWDGTYJARUCU-UHFFFAOYSA-N 249.310 2.992 0 40 BFAB CC1(C)CN2C(=O)c3ccccc3[C@]2(C)S1 4060971 OBFUZHNNQTTYHS-ZDUSSCGKSA-N 233.336 2.841 0 40 BFAB COc1ccc([C@@H]2[C@@H](N)[C@H]3CC[C@@H]2C3)cc1 4682969 BJNJVLZOLIJWSQ-XWUBHJNHSA-N 217.312 2.536 0 40 BFAB C[C@H]1CCc2nc3ccccc3c(N)c2C1 4722755 NCTPLHBPILFKIF-VIFPVBQESA-N 212.296 2.942 0 40 BFAB CCC[C@@H](C)C(=O)N1C[C@@H](C)C[C@H](C)C1 4754439 SXNGFYCOKWTRKW-SDDRHHMPSA-N 211.349 2.927 0 40 BFAB COc1ccc2ccccc2c1C[C@@H](C)O 17314635 YXOMHDRPPKPIHG-SNVBAGLBSA-N 216.280 2.772 0 40 BFAB Cc1cccc(NC(=O)NCc2ccncc2)c1 18177187 WDAHZXSDIOIMNP-UHFFFAOYSA-N 241.294 2.712 0 40 BFAB CCNC(=O)c1csc(Nc2ccccc2)n1 23136820 MUKHZBBKVNCUFD-UHFFFAOYSA-N 247.323 2.636 0 40 BFAB NC[C@@H](c1ccccc1Cl)N1CCCCC1 38827590 JXPVNRYDOXUXGA-ZDUSSCGKSA-N 238.762 2.826 0 40 BFAB CC(C)Cc1ccc([C@@H](C)c2n[nH]c(N)n2)cc1 40162988 ZWUMAUZTKSMRBY-SNVBAGLBSA-N 244.342 2.737 0 40 BFAB COc1ccc([C@H](O)c2ccoc2)cc1F 40263109 GIEUTIWBKKEGIA-LBPRGKRZSA-N 222.215 2.509 0 40 BFAB CC(C)Cc1noc(CN2CCC[C@@H](C)C2)n1 42665633 ZGOVAMWMOVGFGE-LLVKDONJSA-N 237.347 2.500 0 40 BFAB CCOC(=O)C(=O)Cc1ccc(C(C)(C)C)cc1 43504359 DGMFTSCXFUQMSF-UHFFFAOYSA-N 248.322 2.659 0 40 BFAB Cc1ccc(C(=O)c2ccnc(C)c2)cc1 45038436 NUZKWMFJLDNOLU-UHFFFAOYSA-N 211.264 2.929 0 40 BFAB Clc1cc(-c2nc(C3CC3)no2)ccn1 45893957 SEEMEXLUAWPLPF-UHFFFAOYSA-N 221.647 2.662 0 40 BFAB O=C(O)c1cc(-c2cccc(F)c2)ccn1 47204935 AERDHBOHFVRFQN-UHFFFAOYSA-N 217.199 2.586 0 40 BFAB Cc1cccc(OCC(=O)N[C@H](C)C(C)C)c1 49535286 USCFOASJCWFNFR-GFCCVEGCSA-N 235.327 2.535 0 40 BFAB NC[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 54586888 JBDVVLCWMKDZLY-CBAPKCEASA-N 215.218 2.768 0 40 BFAB Cc1cccnc1NC(=O)Cc1cccc(F)c1 57529735 PQGPIFVQGAMHGM-UHFFFAOYSA-N 244.269 2.710 0 40 BFAB O=[S@@](c1ccccc1Cl)C(F)(F)F 71777373 XKJYSAQYZJTLLB-CYBMUJFWSA-N 228.622 2.967 0 40 BFAB Cc1nc(NC2CCCC2)cc([C@H]2CCCN2)n1 72386471 SHPKUZGNFCHHMI-GFCCVEGCSA-N 246.358 2.564 0 40 BFAB CC(C)=CCN1CCc2c(nc(C(C)C)n2C)C1 75133539 MLVVLDMLCQGDHU-UHFFFAOYSA-N 247.386 2.868 0 40 BFAB Cc1ccc(OC(=O)C2SCCS2)cc1 95445109 LFRIOTNEAKMZSG-UHFFFAOYSA-N 240.349 2.707 0 40 BFAB Cc1nc(CNc2nnc(C(C)C)o2)cs1 97045382 DGUZJKYDWQFCOB-UHFFFAOYSA-N 238.316 2.570 0 40 BFAB Cc1c(N)cccc1-c1noc(C2CC2)n1 140283399 XCFPZBPMWJXZRX-UHFFFAOYSA-N 215.256 2.505 0 40 BFAB CC(C)NC(=O)c1ccc(NC(C)(C)C)c(N)c1 225408377 USMHNGFHJUXOEY-UHFFFAOYSA-N 249.358 2.617 0 40 BFAB CC(C)(C)n1ncc2c1N[C@@H](C1CC1)CC2 225813273 FEEAOIFXVXUJEM-LLVKDONJSA-N 219.332 2.775 0 40 BFAB Cc1cc(Nc2cccc([C@H]3CCCN3)n2)no1 257226494 FKVJLGAOTCZICV-SNVBAGLBSA-N 244.298 2.546 0 40 BFAB C[C@@]12CC3(CN)CC(CCN)(C1)C[C@](C)(C3)C2 36445 QYAAPDQUHMGQBK-DGKWVBSXSA-N 236.403 2.661 0 40 BFAB Cc1ccc(CNC(=O)/C=C/c2ccco2)cc1 574590 ATMXJGYBMNPXNG-CMDGGOBGSA-N 241.290 2.918 0 40 BFAB c1ccc(C2=NOCc3ccccc32)cc1 1703257 MWLKKCRDRIEGLU-UHFFFAOYSA-N 209.248 2.969 0 40 BFAB NC(=O)Nc1ccc2c(c1)Cc1cc(F)ccc1-2 1704156 CRQWILPQXCEYNP-UHFFFAOYSA-N 242.253 2.888 0 40 BFAB CN(C)C(=N)COc1cc(Cl)ccc1Cl 3163872 IWOCXCNQALTWSB-UHFFFAOYSA-N 247.125 2.911 0 40 BFAB CC1(C)CN2C(=O)c3ccccc3[C@H]2S1 4072815 WEMLWLXBMJJMNS-LLVKDONJSA-N 219.309 2.666 0 40 BFAB Cc1ccccc1NC1(C(=O)O)CCCC1 4244962 VPSBZRLYBPTNEE-UHFFFAOYSA-N 219.284 2.804 0 40 BFAB CCOC(=O)c1sc(-c2ccco2)nc1C 4294190 VGNSNWHYLZGSMC-UHFFFAOYSA-N 237.280 2.888 0 40 BFAB C[C@@H]1CCCCN1Cc1nc2ccccc2[nH]1 7343735 PLENUUOJKIMLEM-LLVKDONJSA-N 229.327 2.937 0 40 BFAB CCC[C@H](Oc1ccc(C)cc1)C(=O)O 8730625 IRGKJZXRQSNSQF-NSHDSACASA-N 208.257 2.627 0 40 BFAB CCC(=O)Nc1nnc(C(CC)CC)s1 12130269 WXLVUWNELWHCLU-UHFFFAOYSA-N 227.333 2.790 0 40 BFAB O=C1Nc2ccccc2[C@H](c2ccccc2)N1 16478539 GZEHIMQLKAOUAF-ZDUSSCGKSA-N 224.263 2.911 0 40 BFAB CCC[C@@H](NCCOC)c1ccccc1 19881784 CWSXJXVSNBKFAV-CYBMUJFWSA-N 207.317 2.764 0 40 BFAB C[C@H]1CCC[C@@H](C)N1C(=O)Cc1cccc(N)c1 20155042 YNPJUXFEXLHREX-TXEJJXNPSA-N 246.354 2.601 0 40 BFAB Nc1ccccc1-c1nc(-c2ccco2)no1 20159544 PTGWAPKVYFEPGL-UHFFFAOYSA-N 227.223 2.579 0 40 BFAB C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccncc1 32787684 AKYARILXZCLJMB-YPMHNXCESA-N 232.327 2.732 0 40 BFAB CCn1c(C(=O)O)cc2sc(C)cc21 37263332 VBMCKEVCXVGATR-UHFFFAOYSA-N 209.270 2.729 0 40 BFAB Cc1cc(C(=O)N2CCSCC2)sc1C 40542238 GFJBZQFMQKXEFP-UHFFFAOYSA-N 241.381 2.554 0 40 BFAB COc1cccc2c1[C@@H]1[C@@H]3[C@H]4C=C[C@@H]4[C@H]2[C@H]13 44143919 YCSMNJDXPUOOSB-XJJIFVJLSA-N 210.276 2.938 0 40 BFAB CCOC(=O)c1c[nH]c2ccc(Cl)cc12 44200595 DWOHEEIRNZANTC-UHFFFAOYSA-N 223.659 2.998 0 40 BFAB CNC(=O)CCc1ccc(Cl)cc1Cl 44596846 JTDUNDIFSLTJTH-UHFFFAOYSA-N 232.110 2.672 0 40 BFAB Cc1ncsc1C(=O)N(C)[C@@H](C)CC(C)C 46787152 MXQSRONRJJQRTD-VIFPVBQESA-N 240.372 2.958 0 40 BFAB CCCNC(=O)CCc1ccc(Cl)cc1 53663677 VXJOTUVUDPGZPS-UHFFFAOYSA-N 225.719 2.799 0 40 BFAB CNC[C@@H]1C[C@@H]1c1ccccc1Br 54588793 ASUJGSATSLOOJP-WPRPVWTQSA-N 240.144 2.772 0 40 BFAB CCNC(=O)N[C@@H](C)CCCC(C)C 57580753 QTIVSPBTMSDGNE-JTQLQIEISA-N 200.326 2.520 0 40 BFAB COc1ccc(Cl)cc1CN1CCCC1 58049913 OWJNGGRSPKXPHB-UHFFFAOYSA-N 225.719 2.944 0 40 BFAB CCN(CC)c1ccc([C@H]2C[C@@H]2CNC)cc1 62494908 DABXNEZNMIQRFL-UKRRQHHQSA-N 232.371 2.856 0 40 BFAB O[C@H](c1cccc(Br)c1)C1CC1 70735864 MPLYZWJENOITMP-JTQLQIEISA-N 227.101 2.893 0 40 BFAB C[C@@H]1CCC(=O)[C@@H](Cc2ccncc2)C1 86354844 BRQVPXAOCUMTRR-ZYHUDNBSSA-N 203.285 2.629 0 40 BFAB Cc1cccc([C@@H](O)CN[C@@H](C)c2ccco2)c1 90520860 IDBIVWJNBLPDNG-JSGCOSHPSA-N 245.322 2.972 0 40 BFAB c1coc(CN2CCC[C@H](N3CCCC3)CC2)c1 93563614 UVEUBSGOWNJLCX-AWEZNQCLSA-N 248.370 2.730 0 40 BFAB Clc1nc(C2CC2)nc2cnccc12 95095849 WVSYEIGCIUUSEW-UHFFFAOYSA-N 205.648 2.556 0 40 BFAB N[C@H](c1cncc(C(F)(F)F)c1)C1CC1 95705871 RSPHGMLCPNCVET-VIFPVBQESA-N 216.206 2.510 0 40 BFAB Nc1ccnc2c1ccn2Cc1ccccc1 95936839 QLCPBSXSYOKADV-UHFFFAOYSA-N 223.279 2.667 0 40 BFAB in-vitro CCS[C@H]1CCC[C@H]1Nc1nnc(C)s1 96482476 OCNXCLLVGFPVPR-BDAKNGLRSA-N 243.401 2.933 0 40 BFAB Cc1ccc([C@@H](O)CNc2cccc(C)n2)cc1 97096659 UEQYLHLOVYHIHN-AWEZNQCLSA-N 242.322 2.844 0 40 BFAB C[C@H]1[C@@H]2CCC[C@H](C2=O)[C@@]2(O)CCCC[C@H]12 100742658 HZMOLOUVPKADBE-YCGPCKTQSA-N 222.328 2.543 0 40 BFAB CC(C)C(=O)N[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C 104382034 ZPPVUKKGSHDRRV-WDMOLILDSA-N 223.360 2.973 0 40 BFAB c1csc(CN2CCC[C@H]2Cn2ccnc2)c1 188412867 WDEWCJZVBFTFHC-LBPRGKRZSA-N 247.367 2.609 0 40 BFAB COC(=O)c1ccc(C)n1-c1ccccc1 197616085 QVRYEMRZPDYUHW-UHFFFAOYSA-N 215.252 2.572 0 40 BFAB C[C@H](Cc1ccoc1)NC(=O)/C=C/c1ccoc1 206718896 FVESPFABUYEYHE-KXMPLOMGSA-N 245.278 2.633 0 40 BFAB Nc1ccc2nc3c(nc2c1)[C@H]1CC[C@H]3C1 217622637 UPAPBXDVEQUVGD-YUMQZZPRSA-N 211.268 2.577 0 40 BFAB O=C(O)[C@@H]1Nc2ccccc2C12CCCCC2 218698730 KWWWLQFOANQJHV-LBPRGKRZSA-N 231.295 2.767 0 40 BFAB Cc1cc(NCc2ccncc2)c(C)cc1N 223780691 OSLKCGLZDMZXEM-UHFFFAOYSA-N 227.311 2.893 0 40 BFAB COc1ccc([C@@H]2CN[C@H]3CCC[C@H]32)cc1 248187088 IOHDMJKBWKLGRB-IHRRRGAJSA-N 217.312 2.551 0 40 BFAB Nc1ncc(Br)c2ccsc12 307642713 KKKBIIJYYHKQNC-UHFFFAOYSA-N 229.102 2.641 0 40 BFAB C[C@@H](NC(=O)c1cccnc1)c1ccccc1 241580 OMMUQWMOPGBNGO-LLVKDONJSA-N 226.279 2.573 0 40 BFAB CC[n+]1c(C)sc2[nH]c3ccccc3c21 321213 ZYWJSGBAIUVWRR-UHFFFAOYSA-N 217.317 2.998 0 40 BFAB CCC[C@]1(CC)NC(=S)N(CCC(C)C)N1 1241630 ALHLILIAWJAVHP-GFCCVEGCSA-N 243.420 2.634 0 40 BFAB NC[C@@H](Cc1ccccc1)c1ccccc1 1712855 RHRYWWVGUVEZRJ-OAHLLOKOSA-N 211.308 2.972 0 40 BFAB Cn1c2ccccc2c2cc(CC(=O)O)ccc21 2101188 OQNHRFJNXKBVMY-UHFFFAOYSA-N 239.274 2.959 0 40 BFAB biogenic Clc1ccc(Cl)c(CC2OCCO2)c1 2529055 XOHXLODPKNJRJD-UHFFFAOYSA-N 233.094 2.909 0 40 BFAB CCCCCC(=O)OCc1ccncc1 5261166 FEFNAVUIZKSBGH-UHFFFAOYSA-N 207.273 2.705 0 40 BFAB COc1ccc(-c2cccc(CN)c2)cc1 5703122 RYIMJAGUGYYPRR-UHFFFAOYSA-N 213.280 2.821 0 40 BFAB CN1c2ccccc2C(=O)N[C@H]1c1cccs1 8744618 HQJIQGAFQGREIW-GFCCVEGCSA-N 244.319 2.627 0 40 BFAB COc1c(Cl)cc(Cl)cc1[S@](=O)O 12402945 CTAXKOUKVDUJCS-UHFFFAOYSA-N 241.095 2.583 0 40 BFAB COC(=O)c1ccc(OC(C)C)c(Cl)c1 15014894 UXAJQOWYJGUDCQ-UHFFFAOYSA-N 228.675 2.914 0 40 BFAB CCC(C)(C)C(=O)NCc1cccs1 16958077 NZQNKWYRDWHWRV-UHFFFAOYSA-N 211.330 2.801 0 40 BFAB CCCCCN(Cc1cccnc1)N=O 22065324 UALWODOTRBXTPK-UHFFFAOYSA-N 207.277 2.755 0 40 BFAB in-vitro COc1ccc(-c2cnc(Cl)[nH]2)cc1OC 22126121 KBBNDQOCRSWYKD-UHFFFAOYSA-N 238.674 2.747 0 40 BFAB c1cc(-c2cnccn2)cc(-c2cc[nH]n2)c1 23192359 MZSVBZPMLPZBND-UHFFFAOYSA-N 222.251 2.534 0 40 BFAB O=C(O)CCc1ccc(Br)s1 26423799 HTNISMQPJVTCDJ-UHFFFAOYSA-N 235.102 2.528 0 40 BFAB CSCC(=O)N1CCC[C@H]2CCCC[C@@H]21 32819591 LNNPJHCRDUFQKP-MNOVXSKESA-N 227.373 2.531 0 40 BFAB CC(C)Oc1cc(C(=O)O)c2ccccc2n1 34062719 PAMQDAXSKBZTQX-UHFFFAOYSA-N 231.251 2.720 0 40 BFAB O=C(O)c1ncccc1Oc1ccccc1 34157130 IBQCJIMAXSKLKT-UHFFFAOYSA-N 215.208 2.572 0 40 BFAB in-vitro C=CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 37007799 ZGSWINWCGUWHEF-NSHDSACASA-N 229.323 2.929 0 40 BFAB CSc1ccc(CN2CCO[C@@H](C)C2)cc1 40479452 RTJKAOLSEVPOKR-NSHDSACASA-N 237.368 2.629 0 40 BFAB Cc1ccc(F)cc1NC(=O)NCC1CC1 40525982 WUJUYIUFPTWPFX-UHFFFAOYSA-N 222.263 2.666 0 40 BFAB CC[C@H](C)NC(=O)Nc1ccccc1N(C)C 40526930 UTROHYQTHORUKE-JTQLQIEISA-N 235.331 2.673 0 40 BFAB c1csc(-c2ccc(N3CCNCC3)cc2)c1 41291227 NAIMGPCQQWZVJY-UHFFFAOYSA-N 244.363 2.825 0 40 BFAB CC[C@H](C)C(=O)NC[C@@H](OC)c1ccccc1 42751158 PTKOUHHFMXRAAI-WCQYABFASA-N 235.327 2.536 0 40 BFAB O=C(C=C(C1CC1)C1CC1)Nc1cccnc1 48667163 MEIXRJLYWZORGV-UHFFFAOYSA-N 228.295 2.767 0 40 BFAB CC(C)CSc1nsc(Cl)n1 71980765 PYDNRWCQXLZTSZ-UHFFFAOYSA-N 208.739 2.940 0 40 BFAB CCOc1ccc(CN(C)CC)cc1OC 72951249 ZSTVGDGGYZKDPX-UHFFFAOYSA-N 223.316 2.546 0 40 BFAB N[C@@H]1C[C@H]1Cc1ccc(C(F)(F)F)cc1 75772393 ZBSMXVIYDHCTBX-PSASIEDQSA-N 215.218 2.595 0 40 BFAB in-vitro O=C1CCN(c2c(F)ccc3cccnc23)CC1 79006377 SLMZSZYMXCFGLI-UHFFFAOYSA-N 244.269 2.543 0 40 BFAB Cc1ccc(Cl)c(-c2[nH]ncc2C=O)c1 82168684 USOWGZKRDKYTLW-UHFFFAOYSA-N 220.659 2.851 0 40 BFAB CCOc1c(Br)cc(C)cc1C=O 83229989 NVFSURHXVOQRNU-UHFFFAOYSA-N 243.100 2.969 0 40 BFAB CCc1[nH]nc(N[C@H](C)c2cccnc2)c1C 96494883 YRABFCDFOZIVPI-SNVBAGLBSA-N 230.315 2.849 0 40 BFAB O=c1cc(-c2ccc(Cl)cc2)nc(C2CC2)[nH]1 96530946 PDSQQIHASLPDLF-UHFFFAOYSA-N 246.697 2.968 0 40 BFAB O=C(O)[C@H]1C[C@@H]2C[C@@H]1C1(C2)SCCCS1 103697496 NQHGJCNDFGOZFI-VGMNWLOBSA-N 244.381 2.684 0 40 BFAB CN(C)CCO[C@@H]1C(C)(C)[C@@H]2CC[C@]1(C)C2 104177078 SZZKEDPTVWMFNF-YRGRVCCFSA-N 225.376 2.779 0 40 BFAB O=C(O)c1nocc1C12CC3CC(CC(C3)C1)C2 217139386 BKZXKEOSRZUWOF-UHFFFAOYSA-N 247.294 2.841 0 40 BFAB Cc1cccc(C)c1N[C@@H]1CCC[C@@H]1N 218879434 HAWVOAFXHQMBBY-NWDGAFQWSA-N 204.317 2.595 0 40 BFAB CCn1ncc(NCc2cnn(C(C)C)c2)c1C 256055223 ZUQDQENASKAOKO-UHFFFAOYSA-N 247.346 2.601 0 40 BFAB Nc1cc(-c2ccc3occc3c2)no1 258154374 OYXCLKIBFPAEHZ-UHFFFAOYSA-N 200.197 2.670 0 40 BFAB CC[C@H](C)[C@H](C)N[C@H]1CSC1(C)C 308297964 KQVTXCFLHNCHLF-GUBZILKMSA-N 201.379 2.905 0 40 BFAB Nc1cc2c(F)cccc2nc1OCC1CC1 685937403 OSYVBKOZNXQPDT-UHFFFAOYSA-N 232.258 2.745 0 40 BFAB CCO/C([O])=C1/CC=CN1C(=O)OC(C)(C)C 1560411654 GOHVTHWLFACQNL-UHFFFAOYSA-N 240.279 2.777 0 40 BFAB Clc1cnc2nc3c(cc2c1)CCC3 2298032732 DGKBXEWNLGZDJR-UHFFFAOYSA-N 204.660 2.772 0 40 BFAB CCC(=O)Nc1ccc(Br)cc1F 1016994 XVEWTHMZUCMHLS-UHFFFAOYSA-N 246.079 2.937 0 40 BFAB CCCCOP(N)(=O)OCCCC 1690984 BDBZFUCZCKJSIY-UHFFFAOYSA-N 209.226 2.687 0 40 BFAB CN(C(=O)COc1ccccc1)c1ccccc1 1749896 YLNWLGACDSFZBG-UHFFFAOYSA-N 241.290 2.728 0 40 BFAB O=C(O)CCCC(=O)c1ccccc1Cl 2518018 LRWPDZKEHJFYFD-UHFFFAOYSA-N 226.659 2.778 0 40 BFAB C[C@H]1CCCC[C@H]1NC1=NCCCS1 3259316 KHBQUQCRMLRFHV-VHSXEESVSA-N 212.362 2.648 0 40 BFAB CC[C@@H](C(=O)Nc1nncs1)c1ccccc1 4680202 GVJODQHVMKKSFK-SNVBAGLBSA-N 247.323 2.670 0 40 BFAB Cc1cc(C)cc(OC(=S)N(C)C)c1 5064752 IMIWQPMDEBDQTF-UHFFFAOYSA-N 209.314 2.529 0 40 BFAB CC(C)(SCc1ccccc1)C(=O)O 5434486 JUJFTDYFKXDNHY-UHFFFAOYSA-N 210.298 2.783 0 40 BFAB Clc1cnc2[nH]c(-c3ccccn3)nc2c1 16545991 UKZWSMKVAQRWMS-UHFFFAOYSA-N 230.658 2.673 0 40 BFAB Cc1ccccc1Oc1ncccc1N 19257973 MWNPOCWTPDHSKS-UHFFFAOYSA-N 200.241 2.765 0 40 BFAB in-vitro C1CCC(NCCNC2CCCCC2)CC1 19367005 JMRWVHXGVONXEZ-UHFFFAOYSA-N 224.392 2.831 0 40 BFAB in-vitro COC[C@@H](C)N[C@H](C)c1ccc(C)s1 19905105 QHCWTYGFOKIWFM-PSASIEDQSA-N 213.346 2.742 0 40 BFAB CCc1cccc(C)c1NC(=O)c1cnn(C)c1 32768045 IGLKRHQYFZYZJE-UHFFFAOYSA-N 243.310 2.543 0 40 BFAB CC(=O)NCCc1ccc2ccccc2c1 41340446 NIUFMHLNOJUCCH-UHFFFAOYSA-N 213.280 2.518 0 40 BFAB Cc1ccc([C@H](C)NC(=O)Nc2ccccn2)o1 43723125 FVRAJQUOOFIDII-JTQLQIEISA-N 245.282 2.866 0 40 BFAB C[C@H]1CCCCN1C(=O)NOCc1ccccc1 49339581 CQINDYWRBYYANL-LBPRGKRZSA-N 248.326 2.702 0 40 BFAB CNC[C@@H]1C[C@]1(C)c1ccccc1Cl 54590103 CAFGHEVVMLHRPY-CABZTGNLSA-N 209.720 2.837 0 40 BFAB C[C@@H](N)c1ccccc1OC(F)(F)F 55222549 XDQINUYPIQISSS-ZCFIWIBFSA-N 205.179 2.605 0 40 BFAB CC1CCC(CNC(=O)[C@@H]2C[C@@H]2C)CC1 55488718 SBONKHRQYTZJEG-POSLAHMBSA-N 209.333 2.585 0 40 BFAB C[C@@H]1C[C@@H]1C(=O)NCCC1=CCCCC1 57287872 LEASRAUSZBWTPU-PWSUYJOCSA-N 207.317 2.649 0 40 BFAB OC[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 70453350 LQSFZWVYWMAVCT-IONNQARKSA-N 216.202 2.801 0 40 BFAB C[C@@H](CC(=O)Nc1ccccc1)[C@H]1CCCNC1 72208248 MPUZAHBAHORFIS-STQMWFEESA-N 246.354 2.651 0 40 BFAB CCOC(CCOc1ccccc1F)OCC 78209374 HGKPXCDJAOREKR-UHFFFAOYSA-N 242.290 2.994 0 40 BFAB in-vitro C/C=C/C(=O)N1c2ccccc2C[C@@H]1C 82237560 QMQSSMFAPMIAAW-YVGDHZEHSA-N 201.269 2.540 0 40 BFAB Cn1ccc2ccc([C@H]3CCCN3)cc21 82912635 PABOSKOCYLHRQQ-GFCCVEGCSA-N 200.285 2.603 0 40 BFAB O=C(c1ccc(Br)cc1)C(F)F 90557349 AULWQWKDUPKRJT-UHFFFAOYSA-N 235.027 2.897 0 40 BFAB Cc1cc(C)cc(-c2cc(C=O)on2)c1 90669514 ZQHKAZXLWXNANG-UHFFFAOYSA-N 201.225 2.771 0 40 BFAB CNC(=O)N1C[C@@H]2CCCC[C@]21c1ccccc1 92760128 RKLNBHPNGJEPTR-ZFWWWQNUSA-N 244.338 2.727 0 40 BFAB CN(Cc1ccc(Cl)cc1)[C@H]1CCCNC1 95067826 DEZKBLHWBOYCNS-ZDUSSCGKSA-N 238.762 2.524 0 40 BFAB CCC[C@@H](O)c1cc(F)c(F)c(OC)c1 95729218 AAZMMICSPMEHEU-SECBINFHSA-N 216.227 2.807 0 40 BFAB CCCC(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 102583165 ZXTNXYYKULGWJB-NOOOWODRSA-N 209.333 2.727 0 40 BFAB O[C@H]1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 103233187 DNAGSRDCXSVFLX-QDMKHBRRSA-N 231.339 2.564 0 40 BFAB Cc1ccc(-c2nocc2CCC(=O)O)cc1 169676690 KYLLUUSCNQRKDK-UHFFFAOYSA-N 231.251 2.667 0 40 BFAB CC[Sn](F)(CC)CC 195775789 DFUIOHBANYCFQQ-UHFFFAOYSA-M 224.895 2.961 0 40 BFAB CC(C)(C(=O)O)C1CCC(F)(F)CC1 223643951 KSZNWACBRHMZEF-UHFFFAOYSA-N 206.232 2.923 0 40 BFAB CCCNCc1cccn1-c1ccc(OC)cc1 223688787 KCIDLADMOGPZIE-UHFFFAOYSA-N 244.338 2.986 0 40 BFAB CC[C@H](C(=O)O)N(C)c1ccc(C)c(C)c1 224983807 ZHHRBLXMYBTJMU-GFCCVEGCSA-N 221.300 2.603 0 40 BFAB CC[C@H](C(=O)O)N(C)c1cc(Cl)ccc1C 224992418 IEEQCLSYHSTFPD-SNVBAGLBSA-N 241.718 2.948 0 40 BFAB C[C@@H](c1cnn(C)c1)N(C)CCCCCF 225468265 CJABPBQKXVHIPH-NSHDSACASA-N 227.327 2.553 0 40 BFAB CN1C[C@H]2CCCO[C@H]2c2ccccc21 248083499 QZIRJZYDWHZQFQ-ZWNOBZJWSA-N 203.285 2.604 0 40 BFAB O[C@H]1CCc2cc(F)c(Br)cc21 585164284 NFEDJWNLFZRJDP-VIFPVBQESA-N 231.064 2.568 0 40 BFAB Cc1c2c(F)cc(Br)cc2nn1C 616569247 PGOMQPNCIZNBSB-UHFFFAOYSA-N 243.079 2.783 0 40 BFAB CC1=NN(c2nccc3sccc23)C(=O)[C@H]1C 634596323 CENJCBRMAMLRKU-ZETCQYMHSA-N 245.307 2.655 0 40 BFAB CCCOCC(F)(F)[C@@H](F)C(F)(F)F 1083807950 HLUHCCBQPVVWTJ-RXMQYKEDSA-N 224.144 2.949 0 40 BFAB Cc1nc(-c2ccccc2)n(C(C)C)n1 1772715303 SHTKADRYSXKBDY-UHFFFAOYSA-N 201.273 2.834 0 40 BFAB Cc1nc2c(Cl)nc(Cl)nc2s1 1595616 ZXOQUXADNLREKJ-UHFFFAOYSA-N 220.084 2.702 0 40 BFAB CC(C)CCOC(=O)CC1(O)CCCCC1 1687951 YPZJKRRAQSWQCI-UHFFFAOYSA-N 228.332 2.661 0 40 BFAB O=C(O)[C@H]1CC=CC[C@@H]1c1ccccc1 1702310 KVZGDUKDAJKXOF-NEPJUHHUSA-N 202.253 2.821 0 40 BFAB Nc1ccccc1S[C@H]1CCCC[C@H]1O 1843172 LLKIGPGOZQEUOL-PWSUYJOCSA-N 223.341 2.664 0 40 BFAB CCCCCCOC(=O)[C@@H](C)OC(=O)OCC 2041775 XIDLATCSZWUBHP-SNVBAGLBSA-N 246.303 2.672 0 40 BFAB O=C(C1[C@@H]2CCCC[C@@H]12)N1CCCCCC1 3142527 HFMQZPHALJTOHC-VXGBXAGGSA-N 221.344 2.825 0 40 BFAB O=C(Nc1ccc2c(c1)CCC2)C1CCC1 3549008 AADFTMUAXKCRJC-UHFFFAOYSA-N 215.296 2.914 0 40 BFAB CC(C)[C@H](N)c1ccc2c(c1)OCCCO2 4207075 DTYBGRRLUKEBOY-ZDUSSCGKSA-N 221.300 2.504 0 40 BFAB Cc1cc2c(c(C)c1CCO)C(=O)C(C)(C)C2 6070275 YKQBHPHKXJKKAB-UHFFFAOYSA-N 232.323 2.603 0 40 BFAB biogenic,in-vitro CC[C@H]1SC2=Nc3ccccc3CN2C1=O 6555015 SGDKZNDZPKOSOE-SNVBAGLBSA-N 232.308 2.542 0 40 BFAB Cc1cc(C(=O)Nc2ccc(C)c(C)c2)on1 8325360 VMIPWFOZTSIZQS-UHFFFAOYSA-N 230.267 2.852 0 40 BFAB C[C@@](O)(Cc1ccccn1)c1ccccc1 8616459 RBTMHDWJTMPJCU-CQSZACIVSA-N 213.280 2.532 0 40 BFAB CCCCCC(=O)Nc1ccc(N)cc1OC 8703536 KKOODDHLNPVLKC-UHFFFAOYSA-N 236.315 2.796 0 40 BFAB CC(=O)c1ccc2c(c1)OCCCCCO2 15043143 OMOXUGXHLCKGKX-UHFFFAOYSA-N 220.268 2.831 0 40 BFAB O=c1[nH]c(S)nc2c(Cl)cc(Cl)cc12 16383368 QMWXDNBFFNJKDM-UHFFFAOYSA-N 247.106 2.519 0 40 BFAB CCN(CC)CCOC(=O)/C=C\c1ccccc1 17175260 IOCWNULEZRQWMS-KHPPLWFESA-N 247.338 2.585 0 40 BFAB Cc1cc(C(=O)O)c(C)n1C1CCCC1 19258872 HMWHCLWTTKWSOS-UHFFFAOYSA-N 207.273 2.918 0 40 BFAB CCN(CC)CCN[C@@H](C)CCc1ccccc1 19919286 MWDRWMNXZAVEPD-HNNXBMFYSA-N 248.414 2.939 0 40 BFAB CCC(=O)CC(=O)c1ccccc1Cl 20375908 RQGPZWPWZPHBNL-UHFFFAOYSA-N 210.660 2.892 0 40 BFAB COc1cc(F)c(Br)cc1C 32911326 JJYAQJFSDSHSJY-UHFFFAOYSA-N 219.053 2.905 0 40 BFAB COC(=O)c1cccn1-c1ccc(C)cc1 34146054 XOULWNCMFRJTOU-UHFFFAOYSA-N 215.252 2.572 0 40 BFAB CCc1ccc(C(=O)OC)cc1Br 34173620 WSYKXUBTLUYUSD-UHFFFAOYSA-N 243.100 2.798 0 40 BFAB Fc1ccc(-c2nnc3ccc(Cl)nn23)cc1 36903736 XUXPGXZBMMPANM-UHFFFAOYSA-N 248.648 2.584 0 40 BFAB CCN(Cc1ccc(C(=O)O)cc1)C(C)C 37082506 RJWDFEXHPVZCTG-UHFFFAOYSA-N 221.300 2.615 0 40 BFAB in-vitro Cc1ccccc1[C@@H](C)NCc1c[nH]nc1C 37878785 BIMLXZQAGWDUMP-GFCCVEGCSA-N 229.327 2.877 0 40 BFAB Cc1ccccc1[C@H](C)NCc1c[nH]nc1C 37878786 BIMLXZQAGWDUMP-LBPRGKRZSA-N 229.327 2.877 0 40 BFAB C[C@H](CCc1ccco1)NC(=O)C(C)(C)C 41975478 IEUPTQOUZDHELO-SNVBAGLBSA-N 223.316 2.763 0 40 BFAB CC(C)c1ccc(C[C@@H](C)[C@@H](N)CC(=O)O)cc1 44215207 MMGDWUDUVAVLSO-RISCZKNCSA-N 249.354 2.791 0 40 BFAB C[C@H](c1ccccn1)N(C(=O)C1CC1)C1CC1 47178089 XSUZOEVHUYTQMP-SNVBAGLBSA-N 230.311 2.544 0 40 BFAB CCCc1ccccc1NCc1ncc[nH]1 49715024 VWZMKAVBLBBIPN-UHFFFAOYSA-N 215.300 2.974 0 40 BFAB O=C(O)c1ccc(Nc2cccnc2)cc1 50912929 MUIFAEIHXHXFAH-UHFFFAOYSA-N 214.224 2.523 0 40 BFAB CCCn1c(C=O)nc2cc(Cl)ccc21 53944114 DGCWWQXZPKBYIY-UHFFFAOYSA-N 222.675 2.912 0 40 BFAB NCc1cc(Cl)cc(C(F)(F)F)c1 59613912 GCLAXYMPBCHQIK-UHFFFAOYSA-N 209.598 2.818 0 40 BFAB CC[C@@H](COC)NCc1ccc(C)cc1 70656224 ATCYYPHSYRNYGG-ZDUSSCGKSA-N 207.317 2.510 0 40 BFAB CC1(CN2CC[C@H](c3ccccc3)C2)COC1 71913999 WCRCIRHNHBSDPS-AWEZNQCLSA-N 231.339 2.512 0 40 BFAB CC(=O)N(Cc1ccco1)c1ccc(F)cc1 75632047 AAOPUALTMVKQHU-UHFFFAOYSA-N 233.242 2.972 0 40 BFAB Cc1ccc(OCc2nc(C)c(C)o2)nc1 77240487 UJFYZSWCAHNGHP-UHFFFAOYSA-N 218.256 2.574 0 40 BFAB CCc1cc2c(=O)[nH]c(-c3ccoc3)nc2s1 83820473 WESMFTUKYUALDR-UHFFFAOYSA-N 246.291 2.807 0 40 BFAB CC[C@@H](N)COCc1ccc(C(F)(F)F)cc1 89262693 OSOFDRMQBRDDEP-LLVKDONJSA-N 247.260 2.959 0 40 BFAB N[C@H](CSC(F)(F)F)c1ccccc1 91252557 NIDIJNJCPOLYDZ-MRVPVSSYSA-N 221.247 2.939 0 40 BFAB CC1(COc2ccc(N)cn2)CCCC1 95093864 OMOHOEGRVOTWAA-UHFFFAOYSA-N 206.289 2.623 0 40 BFAB CC(C)CCOc1cc(F)cc(CCO)c1 95732077 IYVBOERSVHXNHG-UHFFFAOYSA-N 226.291 2.785 0 40 BFAB Cc1ccc(-c2nc(CO)cs2)cc1C 95748767 JNFXAHGZXZFYHE-UHFFFAOYSA-N 219.309 2.919 0 40 BFAB c1ccc(CN2CC[C@@H](n3cccc3)C2)cc1 95919701 HWAUQYVMORFNEA-OAHLLOKOSA-N 226.323 2.935 0 40 BFAB OCCCc1nc(Cc2ccccc2)cs1 96501804 LLKVOACPUKSMEC-UHFFFAOYSA-N 233.336 2.659 0 40 BFAB Cc1occc1C(=O)OCCC[C@H]1CCCO1 97113172 YMDAVHRGDVDCPA-LLVKDONJSA-N 238.283 2.704 0 40 BFAB CCCc1cc(O)n(-c2ccccc2OC)n1 102003798 MZDLYCBDUDSJBA-UHFFFAOYSA-N 232.283 2.539 0 40 BFAB O=C(c1cc2ccccn2c1)N1C[C@H]2CC[C@H]1C2 114246188 CQQVGXNIGFPOKJ-FZMZJTMJSA-N 240.306 2.564 0 40 BFAB CCCOc1nn(C)c2cc(C(C)=O)ccc12 225773292 ZROFJRTYAQPBSS-UHFFFAOYSA-N 232.283 2.565 0 40 BFAB CCn1c(CCC(C)C)ccc1C(=O)OC 226024609 NVEICHZCLWUWRQ-UHFFFAOYSA-N 223.316 2.883 0 40 BFAB NC1(c2ccc(Br)c(F)c2)CCC1 238563003 WXCSGKKFDFNHEM-UHFFFAOYSA-N 244.107 2.926 0 40 BFAB c1cc([C@@H]2COCCN2C2CCCCCC2)[nH]n1 257271323 MXVNITMCMWPCGA-AWEZNQCLSA-N 249.358 2.506 0 40 BFAB COC(=O)C1(c2cc(C)ccc2C)CC1 257869939 QIEPHOBAGZLGDE-UHFFFAOYSA-N 204.269 2.508 0 40 BFAB CCc1sc(C)nc1-c1ccc(C(N)=O)cc1 408580197 MZNPVBKCZRKHSI-UHFFFAOYSA-N 246.335 2.780 0 40 BFAB COC(=O)NCc1cc(-c2ccco2)cs1 1775968458 NYZFEAPAJIVYSX-UHFFFAOYSA-N 237.280 2.864 0 40 BFAB CCOC(=O)c1ncoc1-c1ccccc1 165078 LFBYYERWTHYROG-UHFFFAOYSA-N 217.224 2.518 0 40 BFAB in-vitro CCC(=O)OC(C)(C)Cc1ccccc1 2559021 BLKIYRRGHOQSPP-UHFFFAOYSA-N 206.285 2.961 0 40 BFAB CCOc1ccc(O)c(C(=O)C(F)(F)F)c1 3284952 CMRFWWLTDQBDHT-UHFFFAOYSA-N 234.173 2.536 0 40 BFAB CC(C)[C@@H](CC(=O)O)[C@@H]1CCOC(C)(C)C1 4046691 BBWMQSIVQSDBJA-GHMZBOCLSA-N 228.332 2.939 0 40 BFAB biogenic Nc1ccc2nc(-c3ccncc3)sc2c1 4538149 KXYTYOFVZMOYHG-UHFFFAOYSA-N 227.292 2.941 0 40 BFAB CCC(=O)O[C@@H]1C[C@H]2C[C@@H]1[C@H]1C=CC[C@H]21 5768348 ZPFJBPIFMMENKC-RMPHRYRLSA-N 206.285 2.540 0 40 BFAB CC(C)N(CCNC1=NCCCCC1)C(C)C 5859800 CCIWFJVKNICXCK-UHFFFAOYSA-N 239.407 2.667 0 40 BFAB CN(C)c1sccc1-c1cccn1C 5888513 URQSAVLUZFDZNR-UHFFFAOYSA-N 206.314 2.820 0 40 BFAB O=C(Nc1cccc(CO)c1)C1CCCCC1 8166148 ZXKQPDPDQXSBRQ-UHFFFAOYSA-N 233.311 2.698 0 40 BFAB CCC1=NO[C@H](C(=O)OCc2ccccc2)[C@@H]1C 8652504 SUXYPBVJSUHVBJ-MFKMUULPSA-N 247.294 2.531 0 40 BFAB Cc1c(Cl)cccc1N1[C@@H](C)CNC[C@H]1C 11632669 KPIUJOCQDXHOQX-AOOOYVTPSA-N 238.762 2.835 0 40 BFAB CCN(CC)CCCCCCCCO 22057263 DABAKVQGWZXKFA-UHFFFAOYSA-N 201.354 2.661 0 40 BFAB in-vitro CC1(C)[C@H]2CC[C@]1(Br)C(=O)C2 26441575 MVJVPLZNNRCART-RCOVLWMOSA-N 217.106 2.529 0 40 BFAB O=C(O)c1c[nH]c2cc(C(F)(F)F)ccc12 26894698 MUFSVCLYKZROLW-UHFFFAOYSA-N 229.157 2.885 0 40 BFAB CCC[C@@H]1C=Cc2c(cc(C)oc2=O)O1 26897566 MAHHLJORZKAWRY-SECBINFHSA-N 206.241 2.523 0 40 BFAB Clc1ccccc1COC[C@H]1CCCNC1 28521958 BDKHTHDZPCGIGI-NSHDSACASA-N 239.746 2.856 0 40 BFAB O=C(/C=C/c1ccncc1)Nc1ccc(F)cc1 32152253 OVKHFKLQLOOUJY-LZCJLJQNSA-N 242.253 2.873 0 40 BFAB Nc1ccc(NCc2ccccc2)c(C(=O)O)c1 37930269 MDMDEDDKRUXNJE-UHFFFAOYSA-N 242.278 2.579 0 40 BFAB COc1ccccc1-c1ccc(=S)[nH]n1 41231200 VSKVLGMEJOOEEV-UHFFFAOYSA-N 218.281 2.815 0 40 BFAB O=C(CC(F)(F)F)Nc1cccc(F)c1 43069533 FTTVBSVAMCRFDH-UHFFFAOYSA-N 221.153 2.717 0 40 BFAB COc1cc(F)ccc1C(=O)C(F)(F)F 43505017 SEMUAZZFDABXHZ-UHFFFAOYSA-N 222.137 2.579 0 40 BFAB O=C(Nc1ccc(Cl)c(F)c1)[C@H]1CCCO1 49232522 BUKPYUPEXOOYCN-SNVBAGLBSA-N 243.665 2.597 0 40 BFAB CCN(CCO)Cc1cccc(C(F)(F)F)c1 49754292 NCYFIWMGXZBQJZ-UHFFFAOYSA-N 247.260 2.520 0 40 BFAB CC(C)CN(C(=O)NCc1cccnc1)C(C)C 58210322 WFRGIEVVTLMDOK-UHFFFAOYSA-N 249.358 2.658 0 40 BFAB Cc1ccnc(NC(=O)c2cccc(Cl)c2)n1 59239772 WEXSQZVNILCEFM-UHFFFAOYSA-N 247.685 2.691 0 40 BFAB Cc1onc(-c2cccc(F)c2F)c1C(=O)O 70535705 UHDAVODHAJFKFJ-UHFFFAOYSA-N 239.177 2.626 0 40 BFAB Cc1nc(N(C)C)ccc1[C@H](N)c1ccccc1 72224156 KTEFFASJWRBOTP-OAHLLOKOSA-N 241.338 2.504 0 40 BFAB C[C@H](O)c1ccc(N(C)Cc2ccccc2)nc1 72225367 OFVNQAMBALRXTR-LBPRGKRZSA-N 242.322 2.771 0 40 BFAB C[C@H](CO)SCc1ccc2ccccc2n1 79101708 OLRMHADPFNNGCW-SNVBAGLBSA-N 233.336 2.849 0 40 BFAB COC(=O)C1(Oc2cccc3ccccc23)CC1 85393160 OWSLGXSXOAHPAQ-UHFFFAOYSA-N 242.274 2.924 0 40 BFAB C[C@@H]1CCCN(Cc2ccc(C=O)cc2F)C1 95738671 WWCPNWXQDYXWIN-LLVKDONJSA-N 235.302 2.870 0 40 BFAB Cc1ccc(CN2CCC(NC(C)C)CC2)o1 97032721 VNOQKBOYOZFKHU-UHFFFAOYSA-N 236.359 2.550 0 40 BFAB O=C(c1ccc(O)cc1F)N1CCC2(CCC2)C1 97046612 BDMBGFBIVBXJLG-UHFFFAOYSA-N 249.285 2.548 0 40 BFAB CCCCOc1ccc(F)c(CO)c1F 98210644 YSWGILMYFQFJSR-UHFFFAOYSA-N 216.227 2.636 0 40 BFAB CN1[C@@H]2CC[C@@H]1c1c([nH]c3ccccc13)C2 100753614 WYQXXIUOFPTASR-NOZJJQNGSA-N 212.296 2.859 0 40 BFAB COc1ccc([C@H](O)O[C@@H]2C[C@H]3C=C[C@H]2C3)cc1 104189075 REYIVYQWCBKMPL-OBCWZRDOSA-N 246.306 2.667 0 40 BFAB Clc1cc2c(Cl)ncnc2s1 108646058 HJPKDOWKUUXTPX-UHFFFAOYSA-N 205.069 2.998 0 40 BFAB CCC[C@H](C(=O)c1ccccc1)N(C)C 167259089 WFXNELBKSSVCEJ-GFCCVEGCSA-N 205.301 2.600 0 40 BFAB in-vitro Cc1ccc(Cn2cnc(C)c(C)c2=O)cc1C 192141124 AIDDCKKCEBIGJI-UHFFFAOYSA-N 242.322 2.525 0 40 BFAB CCCCN1CCC[C@@H]1CCCNCC 218328985 QPSBICNYLVMZSJ-ZDUSSCGKSA-N 212.381 2.641 0 40 BFAB Nc1cc(N)cc(-c2nc3ccccc3o2)c1 244919 VEXMZKUPOWVZOA-UHFFFAOYSA-N 225.251 2.659 0 40 BFAB in-vitro CCSc1nnc(-c2ccccc2)o1 574202 TXZJGJDQANIVIV-UHFFFAOYSA-N 206.270 2.849 0 40 BFAB COC(=O)c1ccccc1-c1ccco1 2525672 WQAMGCYGCDNQDW-UHFFFAOYSA-N 202.209 2.733 0 40 BFAB c1ccc(Cc2nnc(-c3ccncc3)o2)cc1 5603739 CFHCZEOJPREZHC-UHFFFAOYSA-N 237.262 2.722 0 40 BFAB O=C(N[C@H]1CCOc2ccccc21)C1CCCC1 6542636 SOEAYADLXRXWBO-ZDUSSCGKSA-N 245.322 2.817 0 40 BFAB Cc1cc(C)cc(OCCSc2ncn[nH]2)c1 6849619 HKABUHPUGBILPS-UHFFFAOYSA-N 249.339 2.593 0 40 BFAB Cc1ccc(-c2nnc(S)o2)cc1C 7141470 ZKMQIPCAKYEHCX-UHFFFAOYSA-N 206.270 2.642 0 40 BFAB in-vitro Cc1ccccc1NC(=S)NC(C)C 7521807 NXXNOKCKHAPZRC-UHFFFAOYSA-N 208.330 2.690 0 40 BFAB Cc1ccc(NCC(C)(C)C(=O)O)cc1 8702831 UUKNTONWQODYEO-UHFFFAOYSA-N 207.273 2.518 0 40 BFAB CCC[C@@H](C)C(=O)Nc1cc(N)ccc1C 8703457 YYODLRWMFJLZOO-SNVBAGLBSA-N 220.316 2.952 0 40 BFAB CSc1cccc(C(=O)Nc2cc(C)no2)c1 13596878 PGFOQCRQQNCBOO-UHFFFAOYSA-N 248.307 2.957 0 40 BFAB COCCN[C@@H](C)c1ccc(F)c(Cl)c1 20078360 VQWVZPPZRQHLNS-QMMMGPOBSA-N 231.698 2.776 0 40 BFAB Brc1nc(C2CC2)n2ccccc12 20263927 YCRGLMSPLUGYES-UHFFFAOYSA-N 237.100 2.974 0 40 BFAB O=Cc1cccc(Cc2ccccc2)c1O 30714760 KPRWCZKBOOSXCP-UHFFFAOYSA-N 212.248 2.796 0 40 BFAB O=C(O)c1cc(C(F)(F)F)cc2ncccc12 32264231 VTOHLIUHSTYNCA-UHFFFAOYSA-N 241.168 2.952 0 40 BFAB C[C@H]1CCc2c(C(=O)N3CCC3)csc2C1 32721248 ICPFMKBREADMPN-VIFPVBQESA-N 235.352 2.719 0 40 BFAB C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)O)o1 37380685 IHYYDFPEYUTJFS-XAVMHZPKSA-N 206.241 2.591 0 40 BFAB in-vitro C[C@@H]1CCCc2cc(C(=O)O)c(Cl)nc21 49820278 ZCOSZAAOTWBIMR-ZCFIWIBFSA-N 225.675 2.873 0 40 BFAB c1ccc2c(c1)CCC[C@@H]2[C@@H]1CCCN1 54668482 FZCLJELINMIBEH-KBPBESRZSA-N 201.313 2.859 0 40 BFAB in-vitro CN1[C@@H](c2ccccc2)[C@@H]1C(=O)c1ccccc1 57218371 NNCVFQYJJLNXGD-BTPDTDQASA-N 237.302 2.925 0 40 BFAB C[C@H]1C[C@H]1NC(=O)c1ncoc1-c1cccs1 69702381 PVYXXYHNJTZART-JGVFFNPUSA-N 248.307 2.541 0 40 BFAB NCCc1ccc(-c2ccc(F)cc2F)o1 70452940 AXNDHMDEXHQQCD-UHFFFAOYSA-N 223.222 2.726 0 40 BFAB CCN1CC=C(c2nc3ccc(C)cc3[nH]2)CC1 73636234 CVGRNVLQGCCEHW-UHFFFAOYSA-N 241.338 2.980 0 40 BFAB O=C(c1cscn1)N1CC[C@@H]2CCCC[C@@H]21 78487928 XQTZCVLWVVKBRS-ONGXEEELSA-N 236.340 2.548 0 40 BFAB O=C(O)[C@@H]1CCc2c(Br)cccc21 82306229 XTPINFSCKGQEEQ-MRVPVSSYSA-N 241.084 2.564 0 40 BFAB Cc1cnn(CCN[C@@H](C)C2CCCCC2)c1 89702493 QXPHZSNTCVMPES-ZDUSSCGKSA-N 235.375 2.750 0 40 BFAB Brc1ccc2c(c1)CNCC21CC1 91368570 GNMLQBNEROBNLK-UHFFFAOYSA-N 238.128 2.584 0 40 BFAB in-vitro CCOC(=O)CC(=O)c1cccc(C(C)C)c1 95728864 FWSUFQHISQQOJK-UHFFFAOYSA-N 234.295 2.946 0 40 BFAB CCc1nnc(NCc2cccs2)s1 96485558 OKIXWDJZTIUGIK-UHFFFAOYSA-N 225.342 2.774 0 40 BFAB CC1(C)[C@H](O)[C@]2(Br)CC[C@]1(C)C2 103708559 NDKVCUVWTLQJQW-SFGNSQDASA-N 233.149 2.711 0 40 BFAB C[C@@H]1CCCN([C@@](C)(C(=O)O)c2ccccc2)C1 116846882 YKRHXZCFHDLDLJ-IUODEOHRSA-N 247.338 2.718 0 40 BFAB Nc1ccc2nc3c(nc2c1)[C@H]1CC[C@@H]3C1 217622555 UPAPBXDVEQUVGD-SFYZADRCSA-N 211.268 2.577 0 40 BFAB O=C(O)CC/C=C\C/C=C\CCCC(=O)O 220282502 PNGRUNJOXYILEZ-OVYZBVKCSA-N 226.272 2.609 0 40 BFAB biogenic,in-vitro CC[C@@H](C)n1cnc2cc(C)c(N)cc21 223768857 LDRSASRGTRJDLY-SECBINFHSA-N 203.289 2.898 0 40 BFAB Cc1ccc(C)n1-n1c(C2CC2)nnc1C1CC1 225150823 QYLGOEUMXPNDPJ-UHFFFAOYSA-N 242.326 2.763 0 40 BFAB Oc1cc2ncccc2cc1Br 238725270 NNPSBSCTEOYMFJ-UHFFFAOYSA-N 224.057 2.703 0 40 BFAB CCOC(=O)c1cc2c([nH]1)CCCC2(F)F 261301562 QUWSAGHBEVIQTJ-UHFFFAOYSA-N 229.226 2.620 0 40 BFAB Cc1cc(C)c(-n2cnc(C)n2)c(C)c1 2362803496 GDKHJEBVGSCZDC-UHFFFAOYSA-N 201.273 2.501 0 40 BFAB CCSc1nnc(NC(=O)CC(C)C)s1 4086564 RTWLZDCGGHYIND-UHFFFAOYSA-N 245.373 2.635 0 40 BFAB NC(=O)[C@@H](c1ccccc1)C1CCCCC1 4105283 AWZQYZNWDPTGOT-ZDUSSCGKSA-N 217.312 2.836 0 40 BFAB biogenic O[C@H]1CCCCC[C@H]1CNCc1ccccc1 4262560 MZZVUVBTOHLLKV-GJZGRUSLSA-N 233.355 2.717 0 40 BFAB Nc1cc(N)cc(Oc2ccccc2)c1 4343596 WTIXAYOFTICTHJ-UHFFFAOYSA-N 200.241 2.643 0 40 BFAB C[C@@H]1CN(C)[C@H](C)C[C@H]1OC(=O)c1ccccc1 4785792 CFHMFMSIDMLAND-YRGRVCCFSA-N 247.338 2.572 0 40 BFAB CN(C)CCCN1C[C@@H]2CC[C@](C)(C1)C2(C)C 5963962 XOLYOIFACSAJQL-DZGCQCFKSA-N 238.419 2.696 0 40 BFAB COc1ccc(C)cc1CCNCC(C)C 9613687 BQFGLWAIFZWHAA-UHFFFAOYSA-N 221.344 2.792 0 40 BFAB C[C@@H](NC(=O)NC1CC1)c1cc2ccccc2o1 10036055 RLJOQOJOSWBRKR-SECBINFHSA-N 244.294 2.955 0 40 BFAB c1ccc(OC[C@H]2CCCN3CCCC[C@@H]23)nc1 12320599 DHUKKIFFTZDUTP-KGLIPLIRSA-N 246.354 2.725 0 40 BFAB biogenic CSc1ccc(C)c(C(=O)NCC2CC2)c1 12894419 JROCGBLSCDORHO-UHFFFAOYSA-N 235.352 2.857 0 40 BFAB Cc1ccc(N)c(OC[C@H]2CCCCO2)c1 14629713 QRYOGNRUZOGJEX-LLVKDONJSA-N 221.300 2.525 0 40 BFAB C[C@@H]1C[C@@H](C)CN(C(=O)Nc2cccnc2)C1 15525019 YVFLTQINSDMSMM-GHMZBOCLSA-N 233.315 2.591 0 40 BFAB Clc1ccc(COC[C@@H]2CCCNC2)cc1 28521960 VBQRVKGHLKMXDU-GFCCVEGCSA-N 239.746 2.856 0 40 BFAB CCCC(=O)N1CCC[C@H]2CCCC[C@@H]21 32819482 BYTNUEPPTXRSTN-NEPJUHHUSA-N 209.333 2.968 0 40 BFAB CC(C)(N)c1ccccc1C(F)(F)F 33487306 VXBMASFVGKOUGQ-UHFFFAOYSA-N 203.207 2.899 0 40 BFAB in-vitro CC1(c2ccc(Cl)cc2)CCNCC1 34561358 WROWOTAYCAHVMR-UHFFFAOYSA-N 209.720 2.981 0 40 BFAB NC[C@@H]1C[C@H]1c1cccc(Br)c1 34893376 MRQUSUULKJTBOR-WPRPVWTQSA-N 226.117 2.511 0 40 BFAB COCOc1ccc(Br)c(C)c1 35803748 BSJSWKNICXZUDB-UHFFFAOYSA-N 231.089 2.740 0 40 BFAB O=C(O)CCC(=O)c1c(F)cccc1Cl 36179796 CGFTZYVAQXKGBY-UHFFFAOYSA-N 230.622 2.527 0 40 BFAB Cc1ccc(N[C@H]2CCCC[C@H]2O)cc1 37691299 JTCBCGKEWZZVIP-QWHCGFSZSA-N 205.301 2.710 0 40 BFAB O=C(O)CCc1ccc(F)cc1C(F)(F)F 38529788 CBBKCHZQMFELAE-UHFFFAOYSA-N 236.164 2.862 0 40 BFAB CC(C)(C)NC(=O)CCOc1ccc(F)cc1 40069962 VNPZJAOMTCZGSK-UHFFFAOYSA-N 239.290 2.509 0 40 BFAB CCOC(=O)Nc1ccc(NC(=O)C2CC2)cc1 40485736 ODDWURWPVDONJO-UHFFFAOYSA-N 248.282 2.604 0 40 BFAB C[C@H](c1nc(C(C)(C)C)no1)N1CCCC1 44069587 PIVXYVKWEWXHKL-SECBINFHSA-N 223.320 2.524 0 40 BFAB COC[C@H](C)CNc1nc2ccccc2o1 44477341 XDNUHARCKYAFOZ-SECBINFHSA-N 220.272 2.522 0 40 BFAB Cc1ccc(NC(=O)Nc2cc(C)nn2C)cc1 48870068 QMXULLMTRXEYFE-UHFFFAOYSA-N 244.298 2.681 0 40 BFAB CNC[C@@H]1C[C@@H]1c1c(F)cccc1Cl 54588707 HODOHRYFWUWNJY-YUMQZZPRSA-N 213.683 2.802 0 40 BFAB O=C(O)c1cnccc1-c1cc(F)ccc1F 65355755 UXJDCMRPQRYFJR-UHFFFAOYSA-N 235.189 2.725 0 40 BFAB Cc1ncsc1NC(=O)OC(C)(C)C 75772239 ZDLXOTJGULGSFG-UHFFFAOYSA-N 214.290 2.799 0 40 BFAB C[C@@H]1C[C@@H]2CCCC[C@@H]2N1CCCCCO 75837564 BPPIIGKSPBJQIU-RDBSUJKOSA-N 225.376 2.802 0 40 BFAB CC(C)Oc1ccc(C=O)c2cccnc12 83224165 DFGAXNOZZUTYRF-UHFFFAOYSA-N 215.252 2.835 0 40 BFAB CC(=O)c1ccccc1C(=O)N[C@H]1CCC[C@@H]1C 87313301 USVLYGPGZXKQSL-HZMBPMFUSA-N 245.322 2.808 0 40 BFAB Brc1cncnc1Cc1ccccc1 91365994 LWFVRZUAPYNMDU-UHFFFAOYSA-N 249.111 2.830 0 40 BFAB Cc1n[nH]c2cc(NC(=O)c3ccco3)ccc12 91837020 OCJPKTNCLXISRB-UHFFFAOYSA-N 241.250 2.717 0 40 BFAB Clc1ncc2cnn(C3CCCC3)c2n1 95097367 BZFWNKBVEUBYDG-UHFFFAOYSA-N 222.679 2.595 0 40 BFAB O[C@@H](c1ccc(F)c(Cl)c1)c1ccccn1 95727354 DLEKNYCFGSVKME-LBPRGKRZSA-N 237.661 2.956 0 40 BFAB CCC(CC)Nc1ccn(CC(F)F)n1 95991521 YUYXTWUXCVSYAN-UHFFFAOYSA-N 217.263 2.749 0 40 BFAB c1csc(-c2ccnc([C@@H]3CCCNC3)n2)c1 96895510 XFBYGNCIMPYRAA-SNVBAGLBSA-N 245.351 2.672 0 40 BFAB Cc1cc(N(C)C)cc(C(C)(C)C)c1N 106887097 UGIWCXPXZZLHGR-UHFFFAOYSA-N 206.333 2.941 0 40 BFAB COC(=O)c1ccccc1C(=O)C(C)(C)C 141564058 OKSNPPHLJDENEH-UHFFFAOYSA-N 220.268 2.702 0 40 BFAB CCOC(=O)[C@H]1CCC[Si](C)(C)C1 195760424 CULQAARYKPTMAB-VIFPVBQESA-N 200.354 2.668 0 40 BFAB CC(=O)n1cc(C=O)c2cc(Cl)ccc21 199735941 CUTNSGNSGGMTOD-UHFFFAOYSA-N 221.643 2.767 0 40 BFAB COC(=O)[C@@H]1C[C@@H]1C(=O)c1ccc(C(C)C)cc1 217817720 YBRJPDJVOUJTEN-QWHCGFSZSA-N 246.306 2.802 0 40 BFAB Cc1cccnc1C[C@@H]1CC2(CCOCC2)CO1 257206015 BBNCVYMFCHXMEJ-CYBMUJFWSA-N 247.338 2.518 0 40 BFAB CC(=O)N1CCS[C@@]1(C)Cc1ccccc1 925439909 OLDDMNNUYWNFBJ-ZDUSSCGKSA-N 235.352 2.541 0 40 BFAB COCCOCCCC(F)(F)C(F)(F)F 1083807011 OUKLFCVZCBFGKA-UHFFFAOYSA-N 236.180 2.627 0 40 BFAB BrC1=C(Br)CC1 2002105468 FYMLMHHFYOQKCM-UHFFFAOYSA-N 211.884 2.782 0 40 BFAB O[C@]1(c2ccccc2)CC(c2ccccc2)=NO1 41809 IDGHFXRMWBEXIC-OAHLLOKOSA-N 239.274 2.656 0 40 BFAB O[C@H]1c2ccccc2CCc2sccc21 174177 XOLDLQLMMZSXAR-ZDUSSCGKSA-N 216.305 2.928 0 40 BFAB Cc1cc(C)c(NC(=O)[C@@H]2CCCO2)c(C)c1 483738 GNANZGAOCXOCEI-LBPRGKRZSA-N 233.311 2.729 0 40 BFAB CC[C@]1(C)OC(=O)N(c2ccccc2)[C@]1(C)O 1055178 HZYGFMWHYMVDFI-QWHCGFSZSA-N 235.283 2.520 0 40 BFAB CC(=O)O[C@H](c1ccc2c(c1)OCO2)C(C)C 1566536 DSNCSMSFBFYOPB-ZDUSSCGKSA-N 236.267 2.676 0 40 BFAB in-vitro CCCC(=O)OCC(C)(C)COC(=O)CCC 1640900 XLEBGGMRMNRYRT-UHFFFAOYSA-N 244.331 2.699 0 40 BFAB CCCC[C@H](CC)COC(=O)CC(C)=O 2046102 QAUIAXORENGBSN-NSHDSACASA-N 214.305 2.725 0 40 BFAB CN1CCC(Sc2cccc(Cl)n2)CC1 2529363 HULQBIVEGFDWTB-UHFFFAOYSA-N 242.775 2.921 0 40 BFAB O=C1O[C@]2(Cc3ccccc31)Cc1ccccc12 3848030 IMXKGJAXVTVMBK-MRXNPFEDSA-N 236.270 2.851 0 40 BFAB biogenic NC(=O)[C@H](c1ccccc1)C1CCCCC1 4105284 AWZQYZNWDPTGOT-CYBMUJFWSA-N 217.312 2.836 0 40 BFAB biogenic CC(=O)N(C)C[C@H]1[C@@H](C)C=C(C)C[C@H]1C 4718857 COCCDELCQAVHHZ-LOWVWBTDSA-N 209.333 2.703 0 40 BFAB NC(=O)c1ccccc1OCc1ccc(F)cc1 5189872 ZTZKGIWBBDEPSU-UHFFFAOYSA-N 245.253 2.504 0 40 BFAB COc1ccc(C(=O)NC2CCCC2)cc1F 7134354 VKAGEUAWJPAILU-UHFFFAOYSA-N 237.274 2.507 0 40 BFAB O=Cc1cccn1-c1cccc(N2CCCC2)c1 8701938 LNTDNWKFVCPNFD-UHFFFAOYSA-N 240.306 2.890 0 40 BFAB Cc1ccc(CNC(=O)CCc2ccco2)cc1 12598985 OCQFNBYTTFZFPZ-UHFFFAOYSA-N 243.306 2.837 0 40 BFAB CSCC(=O)Nc1cccc2cccnc12 13019814 RFOWLDNGVCXPRA-UHFFFAOYSA-N 232.308 2.536 0 40 BFAB COc1ccccc1[C@@H](C)NC(=O)C1CCC1 13020925 ZGCLJAPPVUBLQS-SNVBAGLBSA-N 233.311 2.673 0 40 BFAB CC1(C)CCC[C@]2(C)[C@H](CO)C(CO)=CC[C@@H]12 15147908 KUTDAKOPPDXZDV-VNHYZAJKSA-N 238.371 2.750 0 40 BFAB biogenic,in-vitro O=C(Nc1cccnc1)c1ccc2ccccc2n1 15436161 SSVFFMMPPSJXLF-UHFFFAOYSA-N 249.273 2.882 0 40 BFAB Nc1cc(-c2cc3c(s2)CCCC3)n[nH]1 19689512 JMAXDJFWKLETQI-UHFFFAOYSA-N 219.313 2.599 0 40 BFAB C[C@H](CN)c1ccc(Br)cc1 19726064 HVTXSPFHZMRKMS-SSDOTTSWSA-N 214.106 2.511 0 40 BFAB COc1ccccc1NCc1ccccn1 19902118 UNUDZSSNEFXKEQ-UHFFFAOYSA-N 214.268 2.702 0 40 BFAB CCCCCNC(=O)Cc1cccc(F)c1 19934942 ZEVXQPITGMFDJJ-UHFFFAOYSA-N 223.291 2.675 0 40 BFAB FC(F)(F)c1cccnc1NC[C@@H]1CCCO1 21034155 WJJRPGSADQFLAJ-QMMMGPOBSA-N 246.232 2.691 0 40 BFAB O=C(O)C(=O)Cc1ccc(-c2ccccc2)cc1 22219569 YLSFJNHIOYAOHZ-UHFFFAOYSA-N 240.258 2.550 0 40 BFAB in-vitro Cc1coc(-c2ccccc2)c1C(=O)O 34548332 ORZRBEPYWGWRBV-UHFFFAOYSA-N 202.209 2.953 0 40 BFAB in-vitro CCc1ccc2c(N)c(OC)ccc2c1 35572127 BHFSKLXVWGDRHE-UHFFFAOYSA-N 201.269 2.993 0 40 BFAB C=CC(=O)OCCSc1ccccc1 37594150 RHOOUTWPJJQGSK-UHFFFAOYSA-N 208.282 2.508 0 40 BFAB Cc1cccc(C2(O)CCN(C(C)C)CC2)c1 37717036 WRJKVIIENKZTJN-UHFFFAOYSA-N 233.355 2.687 0 40 BFAB OC[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 39075909 NMCQHEXVLGPBQM-WPRPVWTQSA-N 216.202 2.801 0 40 BFAB CC(C)(C)OC(=O)N[C@@H]1CC=C(F)CC1 39093859 YFTMXYHCMSSHJJ-SECBINFHSA-N 215.268 2.917 0 40 BFAB Nc1ncc(-c2ccccc2)cc1Cl 47203512 YANYXYDKIAUURI-UHFFFAOYSA-N 204.660 2.984 0 40 BFAB C/C=C/C=C/C(=O)NCc1ccc(C)cc1 58177384 LSVGHGRLIMUQKT-VNKDHWASSA-N 215.296 2.744 0 40 BFAB CC(C)OCCN1CC[C@H](c2ccccc2)C1 69565880 GDUZZXKOSFZFDZ-HNNXBMFYSA-N 233.355 2.901 0 40 BFAB C[C@@H](N)c1cc(Br)cs1 70598987 AXVSYXUKBUXMHZ-SCSAIBSYSA-N 206.108 2.530 0 40 BFAB CCCCNc1ccc([C@H]2CCCN2)cn1 72213641 BAHKJVGGUMMYQR-GFCCVEGCSA-N 219.332 2.718 0 40 BFAB Cc1cc(Cl)ncc1[C@H]1CCCCN1 72217853 XZUFXNBGYBPEGF-SNVBAGLBSA-N 210.708 2.858 0 40 BFAB CCC(=O)c1cnc(N(CC)CC)c(C)c1 72222220 SEMKWFXASMDUAM-UHFFFAOYSA-N 220.316 2.829 0 40 BFAB Cc1nc(N2CCCCCC2)ccc1C=O 72224560 MVROLEUKDJIDHB-UHFFFAOYSA-N 218.300 2.583 0 40 BFAB Nc1ccc(C(=O)N2CCCC2)c2ccccc12 72227016 ZHMHKKFCRXLBBP-UHFFFAOYSA-N 240.306 2.658 0 40 BFAB CC[C@H](N)COCc1cc(C)ccc1C 74530289 BKUPMKZDFDQDQM-ZDUSSCGKSA-N 207.317 2.557 0 40 BFAB Cc1ccc(C)n1CCC(=O)Nc1ccccn1 74694542 BSLBNLORRLBTMY-UHFFFAOYSA-N 243.310 2.529 0 40 BFAB c1ccc(N2N=N[C@H]3CCCCC[C@H]32)nc1 78503022 IROWVDFNJXGYFX-WDEREUQCSA-N 216.288 2.970 0 40 BFAB Oc1cc(Br)c(F)c(F)c1F 79019708 KSUNOCRIVMNERL-UHFFFAOYSA-N 226.979 2.572 0 40 BFAB in-vitro O=C(CCC1CCCCC1)CC1OCCO1 85652299 AHEIMZRJTVNJCX-UHFFFAOYSA-N 226.316 2.679 0 40 BFAB C[C@@H]1CCCC[C@H]1OCC(=O)N1CCCCC1 89927779 OLZBBEOFDPPCHI-CHWSQXEVSA-N 239.359 2.594 0 40 BFAB COC(=O)c1ccc(-c2cccc(F)c2)nc1C 95098404 TUWQMSITYJRVPW-UHFFFAOYSA-N 245.253 2.983 0 40 BFAB CCn1cc(-c2ccccc2)c(C(N)=O)c1C 95951510 PQCXOSZODMTUCS-UHFFFAOYSA-N 228.295 2.582 0 40 BFAB O=[S@@]1OC2(CCCCC2)c2ccsc21 96194119 PVYBCRKFDFFINQ-AWEZNQCLSA-N 228.338 2.960 0 40 BFAB CCCCc1nnc(NCc2cccnc2)s1 96494331 FOECOCAZXOPXIH-UHFFFAOYSA-N 248.355 2.888 0 40 BFAB CCc1[nH]nc(N[C@@H](C)c2cccnc2)c1C 96494881 YRABFCDFOZIVPI-JTQLQIEISA-N 230.315 2.849 0 40 BFAB C[C@H](O[C@@H]1CCNC1)c1cccc(Cl)c1 96529830 STXHYNPLEGBNMT-JOYOIKCWSA-N 225.719 2.780 0 40 BFAB O=C(NCCC1=CCCC1)Nc1ccncc1F 97135885 QXHDMOJDWNOEIO-UHFFFAOYSA-N 249.289 2.843 0 40 BFAB Cc1cnc(C(F)(F)C(F)(F)F)c(N)c1 169798387 OPIQYFGYGCHQAJ-UHFFFAOYSA-N 226.148 2.626 0 40 BFAB CN(CCc1ccncc1)[C@H]1C=CCCC1 181475377 XVRYPNGOAMLLAW-AWEZNQCLSA-N 216.328 2.665 0 40 BFAB CCOc1nc2ccc(C)cc2cc1C=O 224967642 XKCPTIBBRSFPFL-UHFFFAOYSA-N 215.252 2.754 0 40 BFAB CC(C)=CC(=O)c1ccc(C#N)c(F)c1 385549573 MWQCRMGUNXFKDL-UHFFFAOYSA-N 203.216 2.846 0 40 BFAB CC(C)=CC(=O)c1ccccc1N(C)C 394770184 FLUOLAXGIHZNCJ-UHFFFAOYSA-N 203.285 2.902 0 40 BFAB O=C(Cc1ccccc1F)N1C2CCC1CC2 514348195 INBMTEXTYWXALL-UHFFFAOYSA-N 233.286 2.522 0 40 BFAB Nc1ccc(Cl)c([C@@H](O)C(F)(F)F)c1 675049148 WVUFRXBHXKLBLT-SSDOTTSWSA-N 225.597 2.518 0 40 BFAB c1ccc(-c2cnc(-c3ccncc3)nn2)cc1 128931 DQHRXHWHIFYWTP-UHFFFAOYSA-N 234.262 2.601 0 40 BFAB CC1=CC[C@@H](C(C)(C)OCCCO)CC1 2045194 MHGVRYXQCLBJRL-GFCCVEGCSA-N 212.333 2.910 0 40 BFAB Nc1ccc2nc(-c3ccc4[nH]cnc4c3)[nH]c2c1 4992701 YHHKGFJFZFCHMW-UHFFFAOYSA-N 249.277 2.688 0 40 BFAB CCCCCO[C@@H](CN)C(Cl)(Cl)Cl 5973253 IRHIRTGNMHHXKR-ZETCQYMHSA-N 248.581 2.891 0 40 BFAB CCCc1c(C(=O)O)cnn1-c1cccc(F)c1 6773775 UIMQTUVATDVSAP-UHFFFAOYSA-N 248.257 2.662 0 40 BFAB in-vitro Cc1cc(C)c(-c2cc(C(=O)O)n[nH]2)cc1C 6848961 MXSQCTXNKKEECE-UHFFFAOYSA-N 230.267 2.700 0 40 BFAB Cc1ccc(NC(=S)NC2CC2)cc1C 7528663 MVRKKSITFSCQIU-UHFFFAOYSA-N 220.341 2.752 0 40 BFAB N[C@H](c1cccnc1)c1ccccc1Cl 8699692 WBLBPHHLMGWQCM-GFCCVEGCSA-N 218.687 2.783 0 40 BFAB in-vitro Cc1ccc(C(=O)Nc2ccccn2)cc1F 12527293 VMCLOCAZUBCZSU-UHFFFAOYSA-N 230.242 2.781 0 40 BFAB COc1ccc2nc(C)c(COC(C)=O)cc2c1 13281638 LFKSZNDGASDXFB-UHFFFAOYSA-N 245.278 2.615 0 40 BFAB O=Cc1cn2cc(C(F)(F)F)cc(Cl)c2n1 19767916 MAAURLDZNVRTHO-UHFFFAOYSA-N 248.591 2.819 0 40 BFAB COc1cccc(NCc2ccncc2)c1 19964009 SRJADKSNENCLBZ-UHFFFAOYSA-N 214.268 2.702 0 40 BFAB Cc1cccc(C(=O)N[C@H]2CCCC[C@H]2C)n1 24449511 TXRSGYURZUTBES-PWSUYJOCSA-N 232.327 2.699 0 40 BFAB FC1(c2ccc(Cl)cc2)CCNCC1 34561357 FHCDMDPIURZZDD-UHFFFAOYSA-N 213.683 2.888 0 40 BFAB C=CC(=O)N[C@@H](C)c1ccc(CC)cc1 37003912 FYPKWIWUXFSQBD-JTQLQIEISA-N 203.285 2.612 0 40 BFAB O[C@@H]1CCCC[C@@H]1Oc1ccc(F)cc1F 37696136 MYJIDMDCPYJRAE-PWSUYJOCSA-N 228.238 2.647 0 40 BFAB CCN(Cc1cccc(F)c1)C(=O)[C@@H]1C[C@H]1C 40462416 IUBOXIMXFNQZKZ-ZWNOBZJWSA-N 235.302 2.830 0 40 BFAB CC(C)c1noc(CN2CCCC[C@@H]2C)n1 40489582 HYCYRNWGBSBBBZ-JTQLQIEISA-N 223.320 2.567 0 40 BFAB Nc1nc(-c2ccc3ncccc3c2)cs1 41656935 XWGJNOBJAUKTHC-UHFFFAOYSA-N 227.292 2.941 0 40 BFAB O=Cc1ccc(OCC2CC2)c(Cl)c1 42784089 OLQNGTYJJIQJRJ-UHFFFAOYSA-N 210.660 2.941 0 40 BFAB Cc1ccccc1C(=O)c1cnccc1C 45028987 KJXAHHMVZCTKLU-UHFFFAOYSA-N 211.264 2.929 0 40 BFAB CC(=O)c1cccc(OCC2CCOCC2)c1 52172857 ZVFKMLBMYKUKAA-UHFFFAOYSA-N 234.295 2.695 0 40 BFAB COC(=O)[C@H](C)c1cccc(C(F)(F)F)c1 53712888 ZGNWEBJIWYNENA-SSDOTTSWSA-N 232.201 2.982 0 40 BFAB CC(=O)OCC(=O)c1ccc(C(C)(C)C)cc1 59209105 QDPDQJHSYCETJD-UHFFFAOYSA-N 234.295 2.730 0 40 BFAB O=C(Cc1cccc(Cl)c1)N1CCCC1 67899700 RBYQSYIWICQROI-UHFFFAOYSA-N 223.703 2.505 0 40 BFAB C[C@@H](Nc1ccc(F)cc1)c1cnccn1 70024514 JJUQVFNDXVLXKG-SECBINFHSA-N 217.247 2.789 0 40 BFAB O[C@@H](c1ccc(Cl)cc1F)C1CC1 70735943 GOFWTQNPGNZQSH-SNVBAGLBSA-N 200.640 2.923 0 40 BFAB Cc1cc(C)cc(Nc2cc(=O)[nH]c(=S)[nH]2)c1 72226410 JDJUZIRAFYCRAY-UHFFFAOYSA-N 247.323 2.793 0 40 BFAB COc1cccc(Oc2ccc(C=O)o2)c1 72228404 PTNMLKBMIAJLGV-UHFFFAOYSA-N 218.208 2.893 0 40 BFAB C/C(=C/C(=O)O)c1ccccc1OC(F)F 76006920 NMUQGDKBFFHJPK-SREVYHEPSA-N 228.194 2.776 0 40 BFAB CS[C@@H]1CCC[C@H]1Nc1nc(C)ns1 78447911 GCYBXOKIKZGWIF-HTQZYQBOSA-N 229.374 2.543 0 40 BFAB COC(=O)CCc1ccc2nccc(C)c2c1 82781029 CJCCIYGXJOUXEH-UHFFFAOYSA-N 229.279 2.649 0 40 BFAB Cc1csc(CN2C[C@@H]3CCC[C@H]3C2)n1 89705589 NNXOBNWONMVWFT-QWRGUYRKSA-N 222.357 2.683 0 40 BFAB COc1ccccc1[C@H](C)Nc1nccc(C)n1 95398894 GBXJETXKRFMMNG-NSHDSACASA-N 243.310 2.967 0 40 BFAB CC(C)(O)Cc1ccccc1OC(F)(F)F 95739440 YUYYUCBLYWSFOT-UHFFFAOYSA-N 234.217 2.899 0 40 BFAB N=C1N=C/C(=N/Nc2ccc(Cl)cc2)S1 111910488 QRIZBMKYIUGDPI-QTWGFOEFSA-N 238.703 2.818 0 40 BFAB CCC(=O)COc1ccc(C(C)=O)cc1Cl 119538946 VNHGJRXRXGXFIU-UHFFFAOYSA-N 240.686 2.901 0 40 BFAB Cc1nnc(CSCCC(C)(C)C)n1C 195573116 AUJZTQBMXSRTLK-UHFFFAOYSA-N 227.377 2.793 0 40 BFAB CC(=O)N([Si](C)(C)C)[Si](C)(C)C 195765598 VTACLVUOTMPORB-UHFFFAOYSA-N 203.434 2.505 0 40 BFAB COc1ccc(-n2nnc3cc(C)ccc32)cc1 199734038 IKNISCHLURFRGO-UHFFFAOYSA-N 239.278 2.738 0 40 BFAB CCNCc1cccn1-c1ccccc1OC 223687890 IIRWTRCEEMATGG-UHFFFAOYSA-N 230.311 2.595 0 40 BFAB Clc1cccc(Cn2cc(C3CC3)nn2)c1 585362095 JXRCYWDJZQXYDC-UHFFFAOYSA-N 233.702 2.857 0 40 BFAB Cc1csc(O[C@H](C)c2cccnc2)n1 585651631 FZJFLUBSADAVOX-SECBINFHSA-N 220.297 2.987 0 40 BFAB O=Cc1cc(Cl)c(Cl)c(C=O)c1 495024 SKCOBKDMIOUPGW-UHFFFAOYSA-N 203.024 2.618 0 40 BFAB C[C@H](O)c1cccc(NC(=O)c2ccco2)c1 1017188 USPPJXDUGDMKSQ-VIFPVBQESA-N 231.251 2.585 0 40 BFAB CCNCC(=O)Nc1cc(Cl)ccc1Cl 3311549 CLINXMDEDIHDRX-UHFFFAOYSA-N 247.125 2.541 0 40 BFAB in-vitro Cc1cccc(NC(=O)CN2CCC[C@H](C)C2)c1 3564497 OSFQKMPJRHUIDQ-ZDUSSCGKSA-N 246.354 2.665 0 40 BFAB Fc1ccc(Nc2nnc(S)s2)cc1 4218702 WIIOPIYGNZKALU-UHFFFAOYSA-N 227.289 2.710 0 40 BFAB in-vitro CC(=O)N[C@]1(C)[C@@H](C)[C@H]2C[C@@H]1[C@H](C)C2(C)C 4529814 NUMKLBYYJZQOGT-CZORUXLZSA-N 223.360 2.829 0 40 BFAB N[C@@H]1CC2c3ccccc3C1c1ccccc12 4723035 URRYLKCWJQMOQX-HWOWSKLDSA-N 221.303 2.995 0 40 BFAB CC[C@H](C)C(=O)N1CCc2ccccc21 5664960 BFCOYJRKVRCWMC-JTQLQIEISA-N 203.285 2.622 0 40 BFAB Cc1cc(C(=O)Nc2cccc(O)c2)c(C)n1C 8051707 HTGWCLINQUQTGS-UHFFFAOYSA-N 244.294 2.600 0 40 BFAB Cc1ccc(NC(=O)[C@@H](C)n2cccn2)cc1C 12921483 KCCWDTXZJPAEBH-GFCCVEGCSA-N 243.310 2.700 0 40 BFAB Cc1ccc([C@H](C)NC(=O)[C@H]2C[C@H]2C)cc1 16970232 MNFOEAXSHGSEIY-MDZLAQPJSA-N 217.312 2.828 0 40 BFAB CCOCCC(=O)NC1CCCCCCC1 16971057 WGUIQPMZRZTOJE-UHFFFAOYSA-N 227.348 2.642 0 40 BFAB COc1ccccc1OCc1ccccc1N 19275542 QUITYLJZRSSRFR-UHFFFAOYSA-N 229.279 2.856 0 40 BFAB in-vitro CC[C@H](C)Nc1cc(OC)ccc1OC 19772380 MGAKTKYWGYHKDA-VIFPVBQESA-N 209.289 2.914 0 40 BFAB Clc1ccccc1CNc1ncccn1 21039795 BHLMHANVTWPPBT-UHFFFAOYSA-N 219.675 2.742 0 40 BFAB CCCNCc1nc2ccc(Cl)cc2[nH]1 22122064 GBHKCASUBLYUBA-UHFFFAOYSA-N 223.707 2.716 0 40 BFAB Cc1cc(C(=O)N2C[C@@H](C)C[C@H](C)C2)ccc1N 22171540 PPIWNGPPLOBRNT-QWRGUYRKSA-N 246.354 2.695 0 40 BFAB CCOC(=O)c1cn[nH]c1C1CCCCC1 31776833 ARWSJLWWLODKGW-UHFFFAOYSA-N 222.288 2.634 0 40 BFAB CC[C@@H](C)N[C@H]1CCc2ccccc2C1 34994256 DWSRRLUXUCZMOR-RISCZKNCSA-N 203.329 2.932 0 40 BFAB CC(C)(C)c1ccc(N2CCCNCC2)cc1 35298398 ZVOWFNFBZJSHJL-UHFFFAOYSA-N 232.371 2.784 0 40 BFAB CC(C)NC(=S)Nc1ccc(S)cc1 35586132 CSABREIWXJUDNR-UHFFFAOYSA-N 226.370 2.670 0 40 BFAB C[C@H](c1cccs1)n1cccc1C=O 35737303 RJGIQWXXUHLITQ-SECBINFHSA-N 205.282 2.971 0 40 BFAB CCC[C@@H](C)Nc1cnc2c(c1)c(C)nn2C 37084777 QFQZLJNVDMKLNT-SECBINFHSA-N 232.331 2.877 0 40 BFAB CC(C)NCc1ccc(OCC(F)F)cc1 37755462 KMNQOUUENKXSQJ-UHFFFAOYSA-N 229.270 2.829 0 40 BFAB O=C(CSC1CCCC1)c1ccc[nH]1 40460725 UHLPPBBJVNRQGV-UHFFFAOYSA-N 209.314 2.873 0 40 BFAB COCCN(Cc1ccccc1)C(=O)C=C(C)C 41953719 UREPECXEBRSXIE-UHFFFAOYSA-N 247.338 2.628 0 40 BFAB C[C@H](CN)Sc1ccc(Br)cc1 43514576 IKTFUMVWBVWWRJ-SSDOTTSWSA-N 246.173 2.888 0 40 BFAB in-vitro COc1ccc(-n2cc[nH]c2=S)c(C)c1 61568339 VJTCCWVNLFWRJK-UHFFFAOYSA-N 220.297 2.852 0 40 BFAB in-vitro Cc1cc(N2CCc3ccccc32)ncc1CN 72223939 IPLLTRZPUQSKKB-UHFFFAOYSA-N 239.322 2.543 0 40 BFAB Cc1cc(CN2C[C@H]3CCCN3C[C@H]2C)oc1C 72324747 FLHGHJKACAGEMC-TZMCWYRMSA-N 248.370 2.565 0 40 BFAB FC(F)(F)C1CCN(Cc2ccncc2)CC1 75997952 SQNTVLAPZSDAPC-UHFFFAOYSA-N 244.260 2.856 0 40 BFAB CCN(CC(=O)O)c1cc(Cl)cc(Cl)c1 76633292 GREBEWKFEXNLQV-UHFFFAOYSA-N 248.109 2.904 0 40 BFAB COc1ccccc1[C@@H](O)c1ccc(C)o1 82675842 OZVQBCQBGGUCBP-CYBMUJFWSA-N 218.252 2.678 0 40 BFAB CC1(C)CCN1C(=O)c1cccc2ncccc12 89919484 ZYVSEQADISXSEC-UHFFFAOYSA-N 240.306 2.859 0 40 BFAB Cc1cc(C[C@H](C)N[C@@H]2CCCC2(C)C)n[nH]1 90533964 BXYQTXYPFCLRCB-GXFFZTMASA-N 235.375 2.817 0 40 BFAB COc1ccc([C@@H](C)O)cc1OCC(C)C 95739648 LXRYDYGXJRXWTG-SNVBAGLBSA-N 224.300 2.783 0 40 BFAB CCC[C@H](C)CC(=O)N=c1[nH]c2ccccc2[nH]1 95957783 ADMWAMQEJYHWPJ-JTQLQIEISA-N 245.326 2.750 0 40 BFAB COc1cc2c(C)c(CO)[nH]c2cc1Cl 96029619 JJFSXLSEZRSOGC-UHFFFAOYSA-N 225.675 2.631 0 40 BFAB CCc1nccn1CCSCC(C)C 96489747 RGLKBEGRSOGRQN-UHFFFAOYSA-N 212.362 2.835 0 40 BFAB Cc1cc(Cl)n(-c2cccc(O)c2)n1 96529726 KSYFVJHEJRPSKZ-UHFFFAOYSA-N 208.648 2.540 0 40 BFAB CCCOc1ccc(N(C)C(=O)OC)cc1 97013594 LFEOGVQTQPUGCJ-UHFFFAOYSA-N 223.272 2.678 0 40 BFAB O=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)c1ccccc1F 100404169 WJSFUWIGJYCFAX-BREBYQMCSA-N 233.286 2.744 0 40 BFAB Cc1ccc([C@@H](C)NC(=O)C2CC2)cc1C 138817053 YELGRPKMBZGAJV-LLVKDONJSA-N 217.312 2.891 0 40 BFAB Cl[C@]12C[C@@H]3[C@H]4C[C@](Cl)(O1)[C@@H]1[C@H]4C[C@H]3[C@@H]12 195528769 XACQLMSONRGALD-BCNOEACBSA-N 231.122 2.809 0 40 BFAB O=C(Cc1ccsc1)N1CCC(C2CC2)CC1 646774372 CFWWIIKAQGKQCQ-UHFFFAOYSA-N 249.379 2.939 0 40 BFAB CCc1[nH]c2c(F)cccc2c(=O)c1CC 685938820 ZQHLKFXXEJZIQF-UHFFFAOYSA-N 219.259 2.792 0 40 BFAB C[C@@H](NC(=O)c1cccs1)c1ccc(O)cc1 1446001 ALLCYDKHXRPRBE-SECBINFHSA-N 247.319 2.945 0 40 BFAB O=C(CSCc1ccco1)NC1CCCC1 3258614 DINUMOCYIBYDSI-UHFFFAOYSA-N 239.340 2.572 0 40 BFAB Nc1nc(-c2ccc3c(c2)CCC3)cs1 3888629 UTLBANDCGLMTCE-UHFFFAOYSA-N 216.309 2.881 0 40 BFAB in-vitro COc1ccc(CNCCC(C)C)cc1 6085957 MFJBOWRJGOAPMB-UHFFFAOYSA-N 207.317 2.831 0 40 BFAB C[C@H](Sc1ccccc1)C(=O)N1CCCC1 6425556 JMSFUSPWTBSARP-NSHDSACASA-N 235.352 2.790 0 40 BFAB CSc1ccccc1NC(=O)c1cc(C)no1 6738045 VZCFEOJNESSKHY-UHFFFAOYSA-N 248.307 2.957 0 40 BFAB COc1ccc(N)cc1NC(=O)CC(C)(C)C 8703557 AANBICKJPLPNOB-UHFFFAOYSA-N 236.315 2.652 0 40 BFAB Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F 9338779 KBEJBXIBRLQHSK-UHFFFAOYSA-N 244.216 2.636 0 40 BFAB O=C(CCc1cccc(F)c1)Nc1cccnc1 10742137 BZTLCFZAWXGERO-UHFFFAOYSA-N 244.269 2.792 0 40 BFAB COc1ccc([C@H](C)CC(=O)O)cc1C 11628753 JWGZHKUHCOWHRW-MRVPVSSYSA-N 208.257 2.582 0 40 BFAB CN(CCOc1ccccc1N)c1ccccc1 14629126 QJWFJAJSOGJDJO-UHFFFAOYSA-N 242.322 2.784 0 40 BFAB Cc1ccc(OCC2CCNCC2)cc1C 19509683 KXZJNCSKUXXQHK-UHFFFAOYSA-N 219.328 2.682 0 40 BFAB CCN(CC)[C@H](CN)c1ccc(Cl)cc1 32497020 DTKJQBJNCCDZKO-GFCCVEGCSA-N 226.751 2.682 0 40 BFAB COc1ccc(C[C@@H]2CCCCC2=O)cc1 34182071 PTRJPEKVIOARSU-LBPRGKRZSA-N 218.296 2.997 0 40 BFAB Cc1cccc(-n2nc(C)c(C=O)c2Cl)c1 34963140 AAMDRNQYVNYYJA-UHFFFAOYSA-N 234.686 2.955 0 40 BFAB CN(Cc1ccccc1Cl)C1CCNCC1 36301382 HRELAQFKFMWHGO-UHFFFAOYSA-N 238.762 2.524 0 40 BFAB Cc1ccc(CCNCc2ccco2)cc1 37927579 XCOFEAMZTYGFGF-UHFFFAOYSA-N 215.296 2.920 0 40 BFAB in-vitro CCCN(CC1CC1)C[C@H](N)Cc1ccccc1 42491169 OIRDKWGVMWLVSP-MRXNPFEDSA-N 246.398 2.678 0 40 BFAB CNC(=O)c1ccc(Oc2ccccc2)cc1 45164061 NEHNXQATQXWGSW-UHFFFAOYSA-N 227.263 2.839 0 40 BFAB COCCN1CCC[C@H]1c1cccs1 53399332 SZVVOXUMPVBSTN-JTQLQIEISA-N 211.330 2.531 0 40 BFAB CCn1cc(NC(=O)c2ccc(C)s2)cn1 58377526 NCCZMQAXZFOEPY-UHFFFAOYSA-N 235.312 2.525 0 40 BFAB Cn1c(C2CCNCC2)cc2ccccc21 71477550 WNYFSQVZUYOLQK-UHFFFAOYSA-N 214.312 2.645 0 40 BFAB CC(C)N1CCCC[C@@H]1c1cccnc1N 72212436 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2.813 0 40 BFAB Cc1cc(SCc2ccccc2C)nc(=O)[nH]1 4314708 ZULRNFAMVBQATB-UHFFFAOYSA-N 246.335 2.679 0 40 BFAB CC(=O)C(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 5004904 NLPHDTMWKOYKFS-ZMLRMANQSA-N 226.316 2.579 0 40 BFAB c1ccc([C@@H]2NCCOc3ccccc32)cc1 11802734 ASXUBMZTLQFDSA-HNNXBMFYSA-N 225.291 2.758 0 40 BFAB Cc1cc(Cl)ccc1NC(=O)[C@H]1CCCO1 13019752 FWGQNVBLDOZHLS-LLVKDONJSA-N 239.702 2.766 0 40 BFAB Oc1ccc(-n2cnc3ccccc32)cc1 13782570 YPKCOJPZSAGCHD-UHFFFAOYSA-N 210.236 2.731 0 40 BFAB in-vitro CCc1ccc(OCC2CCNCC2)cc1 14631483 FDTYZKPMAMSPQV-UHFFFAOYSA-N 219.328 2.627 0 40 BFAB COc1ccc(OC)c(NCc2ccccn2)c1 19910778 BXUZPUCFODVUGO-UHFFFAOYSA-N 244.294 2.711 0 40 BFAB O=Cc1c[nH]c2ccc(C(F)(F)F)cc12 20493918 ABXIESRZLRQYLM-UHFFFAOYSA-N 213.158 2.999 0 40 BFAB O=C(c1ccccn1)N1CCC[C@H]2CCCC[C@H]21 32819474 XFQBZGGPDQQECT-TZMCWYRMSA-N 244.338 2.876 0 40 BFAB O=C(NCCSC1CCCC1)c1ccoc1 36392347 LBZUSFRYTUDHJB-UHFFFAOYSA-N 239.340 2.685 0 40 BFAB CCN(CC)Cc1ccc(C(=O)OC(C)C)o1 37625072 XCCUYPLIESHDOC-UHFFFAOYSA-N 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2.994 0 40 BFAB Cc1ccsc1[C@@H](C)N[C@@H]1CCC[C@@H]1CO 96478430 BKJOMYKQWQREKQ-IJLUTSLNSA-N 239.384 2.868 0 40 BFAB O=c1ccc(F)cn1CCSc1ccccc1 190753286 VPJYZZFPQFSKPS-UHFFFAOYSA-N 249.310 2.780 0 40 BFAB N=C(N)c1cn(Cc2ccccc2)c2ccccc12 199548410 HMEMSKCDRMKDHY-UHFFFAOYSA-N 249.317 2.974 0 40 BFAB O=C(c1c(F)cccc1F)N1[C@H]2C=CC[C@H]1CC2 208023698 QELHWORYJKLHSJ-UWVGGRQHSA-N 249.260 2.898 0 40 BFAB Cc1cc(C)cc(N2CCN[C@H]3CCC[C@H]32)c1 218848653 AUIDVXAAFPXFDS-LSDHHAIUSA-N 230.355 2.634 0 40 BFAB FC(F)(F)Oc1ccc2ocnc2c1 222800711 YXZOSSOQOQBGAE-UHFFFAOYSA-N 203.119 2.726 0 40 BFAB CCOC(=O)c1ccc(C)c(NC(=O)C2CC2)c1 225383298 YGKIHNNZGILRDU-UHFFFAOYSA-N 247.294 2.520 0 40 BFAB C[S@@](=O)/C(Cl)=C/c1cccs1 239563185 XDCGAOUMMVCFIZ-LLVKDONJSA-N 206.719 2.664 0 40 BFAB CCn1cc(C)c(NCc2cnn(C(C)C)c2)n1 256054071 UVLVKHQRGIXEGP-UHFFFAOYSA-N 247.346 2.601 0 40 BFAB Cc1ccccc1CC[C@H](N)C(F)(F)F 257198230 WVBNCEIMWHMBFP-JTQLQIEISA-N 217.234 2.817 0 40 BFAB Cc1nc(C)c(COc2cccnc2)s1 691173639 NYFAYFQJQYWVCB-UHFFFAOYSA-N 220.297 2.734 0 40 BFAB Oc1cc(-c2ccccc2OC(F)(F)F)no1 725328056 PWDRVIYQKKAPQO-UHFFFAOYSA-N 245.156 2.946 0 40 BFAB COc1ccccc1NC(=O)Nc1ccncc1 40951 KMVUSIMRULJODH-UHFFFAOYSA-N 243.266 2.734 0 40 BFAB CCCCCNc1ccc(C(=O)O)cc1 1723604 PEIGTVJQKKVZSK-UHFFFAOYSA-N 207.273 2.987 0 40 BFAB CC[C@@H](C)NC[C@@H](O)c1ccc2c(c1)CCCC2 4212253 GVNYSERWAKVROD-MLGOLLRUSA-N 247.382 2.987 0 40 BFAB investigational CCCCC(=O)Nc1ccc(OC)cc1OC 4666231 MCYDMPLTJNFJCF-UHFFFAOYSA-N 237.299 2.833 0 40 BFAB CC(C)(O)c1cc2c(ccc3ccc(=O)oc32)o1 5357577 KDJVHSVOXOZBDR-UHFFFAOYSA-N 244.246 2.767 0 40 BFAB biogenic,in-vitro Cc1ccc(COC(=O)c2ccccn2)cc1 8372948 SUIHPPBAAIRZIG-UHFFFAOYSA-N 227.263 2.747 0 40 BFAB Nc1ccc(Sc2ncccc2C(=O)O)cc1 8702163 FSRMYQORNJOVDO-UHFFFAOYSA-N 246.291 2.513 0 40 BFAB C[C@H]1C[C@@H](C)CN(CCOc2ccccc2N)C1 8703263 VFGPXJNBIQKAMT-BETUJISGSA-N 248.370 2.626 0 40 BFAB O=C1OCC/C1=C/c1ccccc1Cl 12403064 VABUJXPEOAEPRM-CLFYSBASSA-N 208.644 2.670 0 40 BFAB CC(C)CC(=O)N[C@H]1CCc2ccccc21 12945621 VXHZDYDSEJRQIR-ZDUSSCGKSA-N 217.312 2.836 0 40 BFAB CCN(CC)C(=O)[C@@H](C)Oc1cccc(C)c1C 20110342 BRRBWLNCYJAIPU-CYBMUJFWSA-N 249.354 2.939 0 40 BFAB C[C@H]1CCCCN1Cc1ccc(CN)cc1 21951553 ISQZMUGCUSTZKP-LBPRGKRZSA-N 218.344 2.520 0 40 BFAB in-vitro C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccoc1 32787800 ZVAFQZJUJIITQD-PWSUYJOCSA-N 221.300 2.930 0 40 BFAB c1ccc2oc(NCc3ccncc3)nc2c1 34315749 ZGXPCCNQKMTRON-UHFFFAOYSA-N 225.251 2.835 0 40 BFAB CCOC(=O)c1ccc2[nH]cc(C)c2c1 39256311 OYOSECHLHOABFT-UHFFFAOYSA-N 203.241 2.653 0 40 BFAB O=C(CC1(C(=O)O)CCCC1)c1ccccc1 40174741 IFUOVRORMCMUOP-UHFFFAOYSA-N 232.279 2.904 0 40 BFAB Nc1c(Cl)ncnc1Nc1cccc(F)c1 62362494 FUIUVTYVSZSRDB-UHFFFAOYSA-N 238.653 2.595 0 40 BFAB C[C@@H]1C[C@@H](SCc2ccccc2)C(=O)O1 65576089 OADPXXKPBOQIBJ-MWLCHTKSSA-N 222.309 2.624 0 40 BFAB CCCO[C@H](C)c1ccc(CCO)cc1 72220198 BGAFUZJTVIVCRA-LLVKDONJSA-N 208.301 2.709 0 40 BFAB Cc1ccc(N)c(N2CCC[C@@H](C)C2)c1 87149407 SFERVORLGBJEAX-LLVKDONJSA-N 204.317 2.814 0 40 BFAB Cc1ccc(N)c(NCc2ccncc2)c1 87149519 WCENXZSGPPXNRK-UHFFFAOYSA-N 213.284 2.584 0 40 BFAB COc1cccc([S@](=O)CC2CCCC2)c1 97033803 FUADSRWTTQBFSI-INIZCTEOSA-N 238.352 2.993 0 40 BFAB C[C@@H](O)CN[C@H]1C[C@@H](c2ccccc2)C1(C)C 123675627 OKHGITDXBGVGTH-XBFCOCLRSA-N 233.355 2.539 0 40 BFAB CCCn1cc(NCc2cccs2)cn1 124870967 CNRCVFNMRPKVLM-UHFFFAOYSA-N 221.329 2.967 0 40 BFAB c1csc(-c2nc(Cn3ccnn3)cs2)c1 128039155 CJTQSVZILJYUAJ-UHFFFAOYSA-N 248.336 2.511 0 40 BFAB CC(C)N(C)C(=O)N(C)C[C@@H]1CC=CCC1 195577642 KAIWYPANPHSZBB-GFCCVEGCSA-N 224.348 2.735 0 40 BFAB CC(=O)c1ccc2c(OCC(C)C)nn(C)c2c1 225773321 JCONNHJDXXSPSX-UHFFFAOYSA-N 246.310 2.811 0 40 BFAB CC=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccncc1 1775995534 DXMFMUDKPNIBCK-OKILXGFUSA-N 242.322 2.795 0 40 BFAB Fc1ccccc1Oc1nccn2nccc12 1888914304 PDXBZCUYACWNOR-UHFFFAOYSA-N 229.214 2.661 0 40 BFAB O=C(CNc1ccc(F)cc1)Nc1ccccc1 132499 RLMRJOQKCYWJOF-UHFFFAOYSA-N 244.269 2.876 0 40 BFAB Clc1ccccc1CNC[C@H]1CCCO1 286310 GPISPWNZVORYKU-LLVKDONJSA-N 225.719 2.609 0 40 BFAB in-vitro Cc1nn2c(-c3ccncc3)ccnc2c1Cl 1384294 MGFRVIJNOGZBRU-UHFFFAOYSA-N 244.685 2.753 0 40 BFAB COC(=O)[C@@H](C)Oc1cccc2ccccc12 1460002 QHQUWEFJPVQGQP-SNVBAGLBSA-N 230.263 2.780 0 40 BFAB C[C@@H](CNC1CCCC1)OC(=O)c1ccccc1 1716613 OWHMMRUWFOYJCA-LBPRGKRZSA-N 247.338 2.764 0 40 BFAB O=c1[nH]cnc2c(-c3ccccc3)csc12 2541398 KLHTXUMTNSNMNQ-UHFFFAOYSA-N 228.276 2.652 0 40 BFAB Nc1nnc(Nc2cccc(Cl)c2)s1 5183708 IKVXNHXIULRZMX-UHFFFAOYSA-N 226.692 2.517 0 40 BFAB CCCN(CCC)c1ccccc1CN 20075562 GDBFJUXFXKOKBL-UHFFFAOYSA-N 206.333 2.772 0 40 BFAB Cc1ccc(C)c(C(=O)[C@@H](N)CC(C)C)c1 32013481 HJLKVYIFHABXLU-ZDUSSCGKSA-N 219.328 2.860 0 40 BFAB Cc1nnc(Sc2ccc(N)c(C)c2)s1 37668779 UYUYJANOKTWTKB-UHFFFAOYSA-N 237.353 2.888 0 40 BFAB in-vitro OCCSc1nc(-c2ccccc2)cs1 40488712 BADRVJRYSNKWHA-UHFFFAOYSA-N 237.349 2.895 0 40 BFAB CCNc1ncc(Br)cc1C 42783837 KMKLOKUMLVZENM-UHFFFAOYSA-N 215.094 2.584 0 40 BFAB Cc1cccc(C(=O)c2cc(F)ccc2F)n1 45028502 AZRKEEFAJNDUOD-UHFFFAOYSA-N 233.217 2.899 0 40 BFAB Cc1cccc(-c2nc(CN3CCCC3)no2)c1 51559022 JGVBOHJXKOJEEW-UHFFFAOYSA-N 243.310 2.641 0 40 BFAB C[C@H](C1CC1)N(C)C(=O)CCOc1ccccc1 58415231 HIPPLUKNXVPHLX-GFCCVEGCSA-N 247.338 2.712 0 40 BFAB C[C@H](N[C@H]1CCCc2occc21)c1nccn1C 70443744 AEVWHCSRGYFHTI-JQWIXIFHSA-N 245.326 2.741 0 40 BFAB CCN(CC)c1ccc([C@@H]2CCCCN2)cn1 72212848 XCGRWOGHFFFMJR-ZDUSSCGKSA-N 233.359 2.742 0 40 BFAB O=C(Nc1cccc2[nH]ccc12)c1cccnc1 72324668 SWSKOSCQPSUODP-UHFFFAOYSA-N 237.262 2.815 0 40 BFAB biogenic O=C1Cc2c(C(F)(F)F)ccc(Cl)c2N1 84199215 QQQBAVQENASXSA-UHFFFAOYSA-N 235.592 2.853 0 40 BFAB CCOC(=O)c1cc2c(Cl)ncnc2s1 95080508 IKUNLTCFOLEPBG-UHFFFAOYSA-N 242.687 2.521 0 40 BFAB CCCCCOc1ccccc1CCO 95730566 FNEQWDRJLBVTFF-UHFFFAOYSA-N 208.301 2.790 0 40 BFAB CC1CCC(CNC[C@H](C)C[C@H](C)O)CC1 95978510 ULFXDZSTINBTEH-DKNRTOFZSA-N 227.392 2.809 0 40 BFAB COC[C@@]12CCC[C@@H]1CN(Cc1ccc(C)o1)C2 96109135 DBRRNNBBTLRAIL-HIFRSBDPSA-N 249.354 2.837 0 40 BFAB CCNC(=O)N(C)[C@H](C)Cc1ccc(C)cc1 96415186 RIQRPERRNXNRIU-GFCCVEGCSA-N 234.343 2.587 0 40 BFAB CNC(=O)[C@H]1C[C@@H]1c1ccc(C(C)C)cc1 98012983 RDLJUWVBENIGFL-OLZOCXBDSA-N 217.312 2.660 0 40 BFAB O=C1[C@H]2CCCC2=NN1c1cccc(Cl)c1 103752519 ZHJFENNMPNDNBM-JTQLQIEISA-N 234.686 2.843 0 40 BFAB O=C(Cc1ccccc1F)N[C@@H]1C[C@@H]2CC[C@@H]1C2 103989658 LNVLCHAPFHZPGA-MPKXVKKWSA-N 247.313 2.673 0 40 BFAB Cc1nn(C(C)C)c(=O)c2cc3ccsc3n12 105960454 OJOFIWVHNKPBAS-UHFFFAOYSA-N 247.323 2.600 0 40 BFAB CC[n+]1cccc(-c2nc3cc(C)ccc3[nH]2)c1 226774465 CZAWGQOLLJOMRI-UHFFFAOYSA-N 238.314 2.846 0 40 BFAB CC(=O)c1ccc(Cl)nc1C(F)F 242687683 UPOFMOHYDFADRD-UHFFFAOYSA-N 205.591 2.875 0 40 BFAB C[C@H]1C[C@@H](N[C@H]2CCCn3ncnc32)CC[C@H]1C 252585905 LZYKDYVVWWDHAA-VOAKCMCISA-N 248.374 2.527 0 40 BFAB CC(C)(C)OC(=O)NC12CCC(F)(C1)C2 710673618 TUJBCFCOFYZOAF-UHFFFAOYSA-N 215.268 2.546 0 40 BFAB COc1ccc2cccc(C3(C(=O)O)CC3)c2c1 1614663957 ZRTMLUILWFPQPX-UHFFFAOYSA-N 242.274 2.965 0 40 BFAB CCOc1c(Cl)cc(CO)cc1Cl 479296 ZLOSOAGZOREYTI-UHFFFAOYSA-N 221.083 2.884 0 40 BFAB COc1ccccc1C(=O)CCCCC(=O)O 2243632 JBMUVGPYRUXXDZ-UHFFFAOYSA-N 236.267 2.523 0 40 BFAB C[C@H]1COC(=O)CCCCCCCCC(=O)O1 4023811 JOZILNCSRASEMU-NSHDSACASA-N 242.315 2.596 0 40 BFAB biogenic O=C(Cn1ccc2ccccc21)N1CCCCC1 4676155 WIRSKIQNAMGUIW-UHFFFAOYSA-N 242.322 2.654 0 40 BFAB Cc1cccc(C)c1NC[C@H](C)N(C)C 5161203 LEUPJNFHCWHPOC-LBPRGKRZSA-N 206.333 2.665 0 40 BFAB NCCc1c(-c2ccncc2)[nH]c2ccccc12 6732096 WRCDQCVXWUWMTJ-UHFFFAOYSA-N 237.306 2.731 0 40 BFAB CCNCc1ccc(O[C@@H](C)CC)cc1 19738118 KUWRKECADXKQKG-NSHDSACASA-N 207.317 2.973 0 40 BFAB CCCC1CCC(N[C@@H](C)COC)CC1 20087491 ZEFWDJLNQGWROM-HIFPTAJRSA-N 213.365 2.970 0 40 BFAB O=C(O)c1cnc2ccccc2c1N1CCCC1 32500190 XVJYPDCHTMDFHX-UHFFFAOYSA-N 242.278 2.533 0 40 BFAB in-vitro O=C(O)Cc1ccc2ccc(Cl)nc2c1 32501194 GIRGNOQUYKPHIQ-UHFFFAOYSA-N 221.643 2.515 0 40 BFAB CCOc1cc(CNC)ccc1O[C@@H](C)CC 34815694 XPEJPNNLURLDDU-NSHDSACASA-N 237.343 2.982 0 40 BFAB C=CC(=O)Nc1cccc2c1CCCC2 36334205 GREDXJXBMHSUAI-UHFFFAOYSA-N 201.269 2.690 0 40 BFAB CC[C@H](C)n1cc(Br)cn1 38074777 QBGURVIJWFJGNZ-LURJTMIESA-N 203.083 2.617 0 40 BFAB in-vitro C[C@@H](Oc1cccnc1N)c1ccccc1 39279579 PPDXZQYCEONNNJ-SNVBAGLBSA-N 214.268 2.804 0 40 BFAB CC(C)[C@@H](CN)c1ccc2c(c1)OCCCO2 41266473 DPCWOERXYIEZJF-GFCCVEGCSA-N 235.327 2.546 0 40 BFAB CCCc1ccc(OC2CCNCC2)c(OC)c1 42782936 OMZMNMMELNRFHE-UHFFFAOYSA-N 249.354 2.779 0 40 BFAB CCOC(CCCN1CCCCC1)OCC 43503296 VLZFAXIVYZBUET-UHFFFAOYSA-N 229.364 2.652 0 40 BFAB Cc1cc(C)cc(C(=O)[C@@H]2CCC[C@H]2C(=O)O)c1 43879211 UULJYEIVQURUSE-CHWSQXEVSA-N 246.306 2.987 0 40 BFAB Fc1cnc(OC(F)F)c(C(F)(F)F)c1 47203386 JTLQHOOMVNFGOD-UHFFFAOYSA-N 231.095 2.841 0 40 BFAB CC(C)NCc1c[nH]nc1-c1ccc(F)cc1 48396585 WOHUMMKAMLOGFI-UHFFFAOYSA-N 233.290 2.714 0 40 BFAB Brc1ccc([C@@H]2CCCNC2)cc1 49830018 SZTZMTODFHPUHI-SNVBAGLBSA-N 240.144 2.916 0 40 BFAB in-vitro Cc1cnc(NC(=O)C2(C)CCCC2)s1 60626700 YBTBKOOHPBLPGB-UHFFFAOYSA-N 224.329 2.970 0 40 BFAB Cc1ccc(SCCN2CCOC2=O)cc1 69374692 AONOIZBILZNXCB-UHFFFAOYSA-N 237.324 2.539 0 40 BFAB Cc1cc(C)c(OC(C)C)c(C(=O)O)c1 71463654 GHCNZSOQPIGRMT-UHFFFAOYSA-N 208.257 2.789 0 40 BFAB O=C(Cc1cccs1)N[C@@H]1C[C@H]2CC[C@@H]1C2 72117526 ZBVDVQBTTJYKPL-HOSYDEDBSA-N 235.352 2.595 0 40 BFAB CCCCNCc1cc(-c2ccco2)n(C)n1 72226279 MGSQYEIFTYEHNT-UHFFFAOYSA-N 233.315 2.570 0 40 BFAB CCCCCC(=O)N(C)Cc1cccc(O)c1 80381634 PFZZYYLPWSFKEP-UHFFFAOYSA-N 235.327 2.931 0 40 BFAB O=C(CC1CCSCC1)N1CCCCC1 82301224 YNUMCZDKUOTDDV-UHFFFAOYSA-N 227.373 2.532 0 40 BFAB C[C@H]1C(=O)Nc2c(Br)cccc21 82600327 VVLQFCCRKKZWQR-RXMQYKEDSA-N 226.073 2.505 0 40 BFAB Cc1csc(CNc2cccc(C(=O)O)c2)n1 82711733 DUPJONWULODFDR-UHFFFAOYSA-N 248.307 2.762 0 40 BFAB Cc1ccc2nc(-c3c[nH]nc3C)[nH]c2c1C 90065896 UWEZDBVYZXJSCG-UHFFFAOYSA-N 226.283 2.878 0 40 BFAB CCN1CCO[C@H]1c1ccc(Cl)cc1 90459663 LTUVCWUGZHPODX-NSHDSACASA-N 211.692 2.691 0 40 BFAB Nc1cc(C(F)(F)F)c(C(F)(F)F)cn1 91252200 COFJMXYESGMWGW-UHFFFAOYSA-N 230.111 2.701 0 40 BFAB COc1ccc2scc(C(=O)O)c2c1 91294566 JMQUXSAXYAFAHM-UHFFFAOYSA-N 208.238 2.608 0 40 BFAB O=C(O)CCO[C@H](c1ccccc1)C(F)(F)F 95096463 FXDUWDBKJMRVDE-SNVBAGLBSA-N 248.200 2.781 0 40 BFAB CC1(NC(=O)Nc2nccs2)CCCCC1 95397924 WOJZSTGAZPFYLD-UHFFFAOYSA-N 239.344 2.987 0 40 BFAB O[C@@H](c1ccc(Cl)c(F)c1)c1ccccn1 95727366 JBJLGHBUFCBZST-LBPRGKRZSA-N 237.661 2.956 0 40 BFAB Cc1ccc(CC[C@H](C)NCC[C@@H](C)O)cc1 95968048 BHTIBFFNNFXOPJ-UONOGXRCSA-N 235.371 2.677 0 40 BFAB O=C1CC(c2ccccn2)=Nc2ccccc2N1 100853474 WVFYQNQXLAUVJT-UHFFFAOYSA-N 237.262 2.545 0 40 BFAB Cc1cc(NC[C@@H](N)C2CC2)c2ccccc2n1 104317003 BMCHEPUOLKGFNS-CYBMUJFWSA-N 241.338 2.692 0 40 BFAB COc1ccc(Br)c(Cl)c1C=O 169795956 OQWQBUCTFBESID-UHFFFAOYSA-N 249.491 2.924 0 40 BFAB O=C(O)CCc1ccc(F)c(Cl)c1F 216130145 KYQUVBSJWOBITE-UHFFFAOYSA-N 220.602 2.635 0 40 BFAB Cc1c(F)cccc1N[C@H]1CCCC[C@H]1N 218865572 VSOPLWUHYZTJDH-YPMHNXCESA-N 222.307 2.816 0 40 BFAB Cc1ccc(N[C@H]2CCC[C@@H]2N)cc1Cl 218878460 ORUBVAOPQFCNBT-RYUDHWBXSA-N 224.735 2.940 0 40 BFAB Cc1ccc(C)c(N2CCN[C@@H]3CCC[C@@H]32)c1 225717007 ZPJDLBYDCKSVLK-KGLIPLIRSA-N 230.355 2.634 0 40 BFAB Cc1nn(CCF)cc1NCCc1ccccc1 256054699 XKEXCVCLUUBOOB-UHFFFAOYSA-N 247.317 2.816 0 40 BFAB O=C(C1CC1)N1CC[C@H](c2ccc(F)cc2)C1 267954745 BNENENABMSRJTR-LBPRGKRZSA-N 233.286 2.552 0 40 BFAB CC(C)CCC[C@@H](C)NC1CSC1 308131760 BHXVGNAHJDTSRP-SNVBAGLBSA-N 201.379 2.906 0 40 BFAB C1=C(c2nc(Cc3cccnc3)no2)CCC1 328834851 LZOWUDOCEADOAY-UHFFFAOYSA-N 227.267 2.623 0 40 BFAB CC(C)(C)NC(=S)Nc1ccc2conc2c1 409202463 SOCVABWRQDEHNX-UHFFFAOYSA-N 249.339 2.913 0 40 BFAB Cc1cccc(O[C@H](C)c2cccnc2)n1 585654395 HPZHUGXYBMQDDE-LLVKDONJSA-N 214.268 2.925 0 40 BFAB CC(C)(C)Oc1ccnc2ccc(N)cc12 685937306 GQMUFGDIOJZQMO-UHFFFAOYSA-N 216.284 2.994 0 40 BFAB COc1ccc2c(c1)c(-c1cnco1)cn2C 1504308216 VZHLCBHFLQETTN-UHFFFAOYSA-N 228.251 2.842 0 40 BFAB Cn1cnc(-c2cc(F)cc(C(F)(F)F)c2)n1 2362801335 FSUYPMZHRBKKNR-UHFFFAOYSA-N 245.179 2.640 0 40 BFAB CN(C)C(=O)c1ccc(Cl)c(Cl)c1 29890 ZRFISAPSUXXVJI-UHFFFAOYSA-N 218.083 2.695 0 40 BFAB CCCCOc1ccc(CN2CCOC2=O)cc1 1672063 XPZWSDIQTCXJFV-UHFFFAOYSA-N 249.310 2.818 0 40 BFAB CC(=O)COc1ccc(Cl)c(Cl)c1 1749850 OJGOOCTVMHMAQB-UHFFFAOYSA-N 219.067 2.961 0 40 BFAB in-vitro COCCCNc1cc(-c2ccccc2)ncn1 2611561 ODXSLOPMKDJHDB-UHFFFAOYSA-N 243.310 2.592 0 40 BFAB COc1ccc(Oc2ncccc2C(=O)O)cc1 8729651 WOMZUMVELCAJLH-UHFFFAOYSA-N 245.234 2.581 0 40 BFAB COC(=O)CCSCc1ccccc1C 16970808 HYXZITPRKSJPJJ-UHFFFAOYSA-N 224.325 2.791 0 40 BFAB Cc1cc(NC(=S)Nc2ccccc2)[nH]n1 18190758 YZYLYOANWPNUNK-UHFFFAOYSA-N 232.312 2.527 0 40 BFAB CCCn1ccc(NCc2ccnn2CCC)n1 20351024 OHMUYTDYWQKAID-UHFFFAOYSA-N 247.346 2.512 0 40 BFAB CCOc1ccccc1[C@H]1C[C@@H]1C(C)=O 20392349 KONPPYQVYNWOOL-VXGBXAGGSA-N 204.269 2.778 0 40 BFAB CC(C)Oc1ccc(CC[C@@H](C)N)cc1 22210111 KJAYQKCSZPBMRL-LLVKDONJSA-N 207.317 2.754 0 40 BFAB in-vitro C[C@H](NC(=O)c1ccccc1)c1cccnc1 32731629 DFKUWBZCRWBFBD-NSHDSACASA-N 226.279 2.573 0 40 BFAB Fc1cc(Br)ncc1Cl 35569829 ILSSNAJRGIAISE-UHFFFAOYSA-N 210.433 2.637 0 40 BFAB Cc1ccccc1CC(=O)c1cccnc1 37992322 AJANTNORTXVVGG-UHFFFAOYSA-N 211.264 2.815 0 40 BFAB CC(C)(C)OC(=O)N1C(=O)CC12CCCCC2 39170971 ZJFMAHQODPBPGJ-UHFFFAOYSA-N 239.315 2.857 0 40 BFAB C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)O 40377473 UVYGEBYOPXXJMX-ZETCQYMHSA-N 232.201 2.969 0 40 BFAB Cc1ccccc1OCCC(=O)NC(C)(C)C 42137374 KHOJOEDSFSGZKT-UHFFFAOYSA-N 235.327 2.679 0 40 BFAB Cc1occc1C(=O)[C@H]1CCCCC1=O 43651241 CECICIAFJSPKNW-JTQLQIEISA-N 206.241 2.530 0 40 BFAB CC(=O)Nc1cccc(OCc2cccnc2)c1 44585771 RFNNZEANGIZSJO-UHFFFAOYSA-N 242.278 2.619 0 40 BFAB Cc1ccncc1C(=O)c1ccc(F)cc1 45028995 SJSSCJBHGYYUDT-UHFFFAOYSA-N 215.227 2.760 0 40 BFAB Cc1ccc(CNCCOc2ccccn2)cc1 45945418 QNUIEMGANXTZSP-UHFFFAOYSA-N 242.322 2.559 0 40 BFAB Cc1ccc(OCCNCC2CCC2)cc1 72226480 WNXNGXADPOHFMP-UHFFFAOYSA-N 219.328 2.764 0 40 BFAB CC[C@@H](C)S(=O)(=O)Nc1cccc(Cl)c1 75106590 LNRDLXIYUMZGGJ-MRVPVSSYSA-N 247.747 2.880 0 40 BFAB O=C(O)c1cscc1-c1cccnc1 82379733 VXXXDHZLAJYPHO-UHFFFAOYSA-N 205.238 2.508 0 40 BFAB CCCc1cc(C(F)(F)F)ncc1O 89229004 NMDIJVZYRRBWOG-UHFFFAOYSA-N 205.179 2.759 0 40 BFAB C[C@H](c1ccccn1)N1CCCSCC1 89980126 RYXPKUSEMRRTMR-LLVKDONJSA-N 222.357 2.582 0 40 BFAB OCc1cccc(CSc2ccncc2)c1 91297502 DHIDEDJMZMWOAM-UHFFFAOYSA-N 231.320 2.866 0 40 BFAB Cc1nc(N)sc1-c1ccnc(CC(C)C)n1 95629752 PEVCEANRYGJDGK-UHFFFAOYSA-N 248.355 2.689 0 40 BFAB O=Cc1cc2cc(Br)ccc2cn1 95935937 OMJQJAOQBQTRHF-UHFFFAOYSA-N 236.068 2.810 0 40 BFAB C[C@H](O)[C@H](O)C(c1ccccc1)c1ccccc1 96319147 UBXVULCUJFPOFQ-LRDDRELGSA-N 242.318 2.560 0 40 BFAB Cc1ccccc1C1(C(=O)N2CCCC2)CC1 97212260 RCBGPHBAIZJLHU-UHFFFAOYSA-N 229.323 2.649 0 40 BFAB C/C(Nc1ccc(Cl)cc1)=C1/CCOC1=O 100094995 LMTZKNFOUSGOPO-DHZHZOJOSA-N 237.686 2.973 0 40 BFAB C[C@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2C 100309252 YGSVZRIZCHZUHB-NZVBXONLSA-N 231.339 2.546 0 40 BFAB in-man Cc1ccc(NC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)nc1 102226591 JGSZGGGVLKPPLS-SRVKXCTJSA-N 228.295 2.541 0 40 BFAB Cc1cncc([C@@H]2CCCN(C3CCCC3)C2)n1 205678920 XVNAFKLJZKLNEJ-CYBMUJFWSA-N 245.370 2.907 0 40 BFAB COc1c(C(C)=O)ccc(Br)c1F 211326933 BTYMZTRSBNFENF-UHFFFAOYSA-N 247.063 2.799 0 40 BFAB CC(C)O[C@@H](Cc1ccc(Cl)cc1)C(=O)O 220801440 DQRKEZRZGVZFMK-NSHDSACASA-N 242.702 2.761 0 40 BFAB Cc1ccc2c(c1)NC[C@@H](CCCC(=O)O)C2 256054234 VNBOLEPMUNZGIC-NSHDSACASA-N 233.311 2.834 0 40 BFAB O=C(c1cccc(OC(F)F)c1)C(F)F 308823768 QPLZTNJHVUVALE-UHFFFAOYSA-N 222.137 2.736 0 40 BFAB CC[C@@H](C)C(=O)c1ccc(F)c(C#N)c1 379946760 JHNKBOSAPVIOBR-MRVPVSSYSA-N 205.232 2.926 0 40 BFAB COC(=O)c1ccc(C(=O)C2CCC2)c(C)c1 575362477 PHQZYTCDCWTLMD-UHFFFAOYSA-N 232.279 2.764 0 40 BFAB COc1cc2c(cc1OC)C(C(C)C)=NCC2 87634 IIAJULAFFLVAGQ-UHFFFAOYSA-N 233.311 2.705 0 40 BFAB CCCN(C)C(C)(C)C(=O)c1ccccc1 1622228 DBVRMXYKPXPKCW-UHFFFAOYSA-N 219.328 2.990 0 40 BFAB O=C(c1ccncc1)N1CCCc2ccccc21 3159736 OOZBCYPXVXQUCG-UHFFFAOYSA-N 238.290 2.675 0 40 BFAB C[C@@H](Oc1ccc(F)cc1)c1nnc(S)o1 4200347 XLJXMEMTIHCCGG-ZCFIWIBFSA-N 240.259 2.637 0 40 BFAB Cc1ccc(N2C[C@@H]3C[C@]4(C)C=C[C@@]3(C2)O4)cc1 5553182 OUDKTIKIWAYMNA-BPUTZDHNSA-N 241.334 2.919 0 40 BFAB CCCC[C@H](O)c1ccc2c(c1)OCO2 5553928 HVIYWLGVHHVGKB-JTQLQIEISA-N 208.257 2.639 0 40 BFAB CC(C)CC(=O)NCCCc1ccccc1 5907043 IYANTZBARFAZAN-UHFFFAOYSA-N 219.328 2.782 0 40 BFAB C[C@@H]1C[C@H](NC(=S)N(C)C)CC(C)(C)C1 6437942 SKCBGLHGCCBEEY-ZJUUUORDSA-N 228.405 2.637 0 40 BFAB CCCC[C@@]1(C)NC(=S)N(CCC(C)C)N1 9189217 LJTUAIDVMUMWPH-LBPRGKRZSA-N 243.420 2.634 0 40 BFAB COc1ccc(C(C)(C)C[C@@H](C)N)cc1 11631349 RJQAOYMXVHHSTK-SNVBAGLBSA-N 207.317 2.710 0 40 BFAB NCc1ccc(-n2ccnc2-c2ccccc2)cc1 12395421 KEUMKOMTMPIBOO-UHFFFAOYSA-N 249.317 2.998 0 40 BFAB in-vitro Cc1oc(C)c(C(=O)NC2CCCC2)c1C 13020900 YQYSNDXEDGZARW-UHFFFAOYSA-N 221.300 2.877 0 40 BFAB CCN(CC)CCOc1ccc(N)cc1Cl 14629992 MZFUVWWCJZSKHY-UHFFFAOYSA-N 242.750 2.643 0 40 BFAB in-vitro C[C@]1(C2(O)CCCCC2)NCCc2ccccc21 20494420 VMXYNNOLPQQSFF-HNNXBMFYSA-N 245.366 2.743 0 40 BFAB biogenic,in-vitro OC1=Nc2n[nH]cc2[C@H](c2ccccc2)SC1 20729308 PITKWDAXRHLEFB-NSHDSACASA-N 245.307 2.834 0 40 BFAB CCCCCN(Cc1ccccn1)N=O 22065321 SSGNCWJROPKVJX-UHFFFAOYSA-N 207.277 2.755 0 40 BFAB in-vitro NCc1cccc(NC(=O)c2cccc(F)c2)c1 22143688 MWIWZKMAVINMGM-UHFFFAOYSA-N 244.269 2.537 0 40 BFAB Cc1ccccc1[C@H](C)NC(=O)NC(C)C 25992399 VIQSYXZXSLMPBI-NSHDSACASA-N 220.316 2.764 0 40 BFAB Cc1cccc2c1[n+]1c(n2C)-c2ccccc2C1 27232661 LKCTVGVNOXJZJD-UHFFFAOYSA-N 235.310 2.803 0 40 BFAB CC1CCN(C(=O)c2cc(F)cc(F)c2)CC1 28210845 UHVWCBGKWYPCFD-UHFFFAOYSA-N 239.265 2.837 0 40 BFAB Cc1ccc(C(=O)N(C)c2ccccc2)n1C 32836436 WHLXMKGTCAIQSI-UHFFFAOYSA-N 228.295 2.610 0 40 BFAB CCOc1ccccc1-c1nc(C(=O)O)cs1 34711635 AAXQOAAWMHGLBN-UHFFFAOYSA-N 249.291 2.907 0 40 BFAB NC[C@H](CC(=O)O)c1ccc(Cl)c(Cl)c1 34741733 XISRLVACEZPSFU-ZETCQYMHSA-N 248.109 2.510 0 40 BFAB COc1ccc(C=O)cc1CN1CCCC[C@H]1C 34925020 JMECIOBNLQQWPB-GFCCVEGCSA-N 247.338 2.882 0 40 BFAB Cc1cc(NCc2ccncc2)ccc1N 35277827 WSYFEXCAPJVMFB-UHFFFAOYSA-N 213.284 2.584 0 40 BFAB CCC(=O)c1cc(Cl)c(OC)cc1OC 36181519 SGSDRURRFHUKKP-UHFFFAOYSA-N 228.675 2.950 0 40 BFAB CCOC(=O)[C@@H]1C[C@@H](C(C)(C)C)CCC1=O 39416298 JHTDFSYUZRZZBQ-VHSXEESVSA-N 226.316 2.581 0 40 BFAB in-vitro Cc1cccc([C@H](CO)N2CCCCC2)c1 41232817 DFLAJVIMSQZQSE-AWEZNQCLSA-N 219.328 2.514 0 40 BFAB CC(C)(C)NC(=O)CSC1CCCC1 41391447 UMJUPDRFNBGUNV-UHFFFAOYSA-N 215.362 2.577 0 40 BFAB Cc1ccc(OCC(=O)N[C@H](C)C(C)C)c(C)c1 45966071 XHYIAJMLZIWCRI-CYBMUJFWSA-N 249.354 2.843 0 40 BFAB COC(=O)[C@H](C)Sc1ccc2c(c1)CCC2 55278980 LPKSKBDNUHVWDA-VIFPVBQESA-N 236.336 2.829 0 40 BFAB CCCOc1ccc(/C=C/CC(=O)O)cc1 62710452 WJRVIQUNQKPYQA-ONEGZZNKSA-N 220.268 2.963 0 40 BFAB CNC[C@H](OC)c1ccc(Cl)c(Cl)c1 62711499 LPTQKJOONNSYMP-JTQLQIEISA-N 234.126 2.900 0 40 BFAB CCOC(=O)C[C@@](C)(CC)N1CCCCC1 70824316 GEXXYPUGDFNPMT-CYBMUJFWSA-N 227.348 2.594 0 40 BFAB O=S(=O)(O)c1ccc2ccc(Cl)cc2c1 71256827 DLFQBQBIFQCKSO-UHFFFAOYSA-N 242.683 2.740 0 40 BFAB Cc1cc(C)c2nccc(CCC(=O)O)c2c1 72206441 TZBILIZIJWZCRC-UHFFFAOYSA-N 229.279 2.869 0 40 BFAB CCN(CC(=O)O)c1cc(Cl)ccc1C 76612886 PEGKPBSESZFECN-UHFFFAOYSA-N 227.691 2.559 0 40 BFAB CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1C(F)F 82162993 LRNVUWPJESBIRD-RNFRBKRXSA-N 221.247 2.555 0 40 BFAB CCC[C@H](C)C(=O)N1CCCO[C@@H]2CCC[C@@H]21 89949451 YYUZZXMHNICMID-RWMBFGLXSA-N 239.359 2.593 0 40 BFAB COc1cc(F)ccc1[C@](C)(O)C(C)C 95739285 OFEWBRRYHRTCIQ-GFCCVEGCSA-N 212.264 2.698 0 40 BFAB COc1ccc(CN2CCCSCC2)cc1 97113629 UKXQYXBXGSJKCG-UHFFFAOYSA-N 237.368 2.634 0 40 BFAB C[C@H]1[C@@H](C)C(=O)[C@H](C)CN1Cc1ccccc1 169616705 FUZDNZXGTGKHSR-UPJWGTAASA-N 231.339 2.732 0 40 BFAB CC(C)(C)OC(=O)C[C@@H](N)C1CCCCC1 199628466 CDUXGXPTMVMPBI-LLVKDONJSA-N 227.348 2.626 0 40 BFAB CCc1cc(N)ccc1NC(=O)C(C)(C)C 226317174 MDJGNNMIOYIYKW-UHFFFAOYSA-N 220.316 2.816 0 40 BFAB Cc1c[nH]c([C@@H]2CCN(C3CCCCC3)C2)n1 257249976 JKMFZSIAPSHSCZ-GFCCVEGCSA-N 233.359 2.840 0 40 BFAB CCCN(c1ccccc1C)[C@H](C)C(=O)O 260677417 DBECPJAMSYFYBP-LLVKDONJSA-N 221.300 2.685 0 40 BFAB COC(=O)[C@@H]1[C@@H](C(F)=C(C)C)C1(C)C 261828097 AFACSBUBJCFCHH-YUMQZZPRSA-N 200.253 2.695 0 40 BFAB COc1ccc(CCCC(=O)NC(C)C)c(C)c1 408916853 ZWIFPAWIKZKPBS-UHFFFAOYSA-N 249.354 2.851 0 40 BFAB Clc1cccc(CNC[C@H]2CCCO2)c1 810255 PZXFADVCJLCSSO-GFCCVEGCSA-N 225.719 2.609 0 40 BFAB CCOCCCNCc1ccc(Cl)cc1 2923719 KKWRRKNIQSXWIT-UHFFFAOYSA-N 227.735 2.856 0 40 BFAB CCOC(=O)c1cc2cccc(OC)c2nc1C 3055765 GRXPDRVCLSHZBC-UHFFFAOYSA-N 245.278 2.729 0 40 BFAB C[C@@H](O)COc1ccc2ccccc2c1 4071888 MRFTYQFLBDSZHG-SNVBAGLBSA-N 202.253 2.599 0 40 BFAB C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21 5442959 QZVGYNJPPGFSHV-LERXQTSPSA-N 229.323 2.836 0 40 BFAB CNC(=O)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 10052704 LDWSHYSQMNWOKX-ZJUUUORDSA-N 243.228 2.555 0 40 BFAB COC(=O)c1cccc(Cc2ccccc2)c1O 14988426 YBLIRUCJONLCLF-UHFFFAOYSA-N 242.274 2.770 0 40 BFAB O=C1c2cc3ccccc3nc2[C@@H]2CCCCN12 19376292 PIEAKLLXZINQJF-ZDUSSCGKSA-N 238.290 2.916 0 40 BFAB C[C@H]1Cc2c([nH]c3ccccc23)[C@@H](C)N1 19972705 WPILWEFRBGMVDD-DTWKUNHWSA-N 200.285 2.763 0 40 BFAB CCCNCc1nc2ccccc2s1 20136279 FFOZUODFMDAVBQ-UHFFFAOYSA-N 206.314 2.796 0 40 BFAB CN(C)CCNc1cccc(Cl)c1Cl 20246383 WZQNYUVHPSKKLQ-UHFFFAOYSA-N 233.142 2.967 0 40 BFAB CCc1cccc(N[C@@H](C)C(=O)NC(C)(C)C)c1 20315677 PQHYKNMUGIDOOR-NSHDSACASA-N 248.370 2.964 0 40 BFAB CCCCCc1ccc(O)c(C(=O)O)c1 20593715 DXFITFRUUBCWFC-UHFFFAOYSA-N 208.257 2.823 0 40 BFAB CC(C)c1ccc(NC(=O)c2cccnn2)cc1 22073150 DPHVRWXYGGGIJU-UHFFFAOYSA-N 241.294 2.852 0 40 BFAB O=C(c1ccncc1)N1CCC[C@@H]2CCCC[C@@H]21 32819477 ZPNWDGQIKSHZCH-JSGCOSHPSA-N 244.338 2.876 0 40 BFAB CCc1c(-c2ccc(C)cc2C)n[nH]c1N 36916112 QCBYXNQHTRWSJW-UHFFFAOYSA-N 215.300 2.838 0 40 BFAB CSCc1ccc(C(=O)NC(C)(C)C)o1 40460779 ZHHSDZUXXPLNHM-UHFFFAOYSA-N 227.329 2.671 0 40 BFAB c1ccc(-c2nc([C@@H]3CCCCN3)no2)cc1 41065908 WBJUCZZNHYPVMB-NSHDSACASA-N 229.283 2.551 0 40 BFAB CCC(=O)Nc1ccnc(C(C)(C)C)c1 41532024 UGNSLYGHXIXOSO-UHFFFAOYSA-N 206.289 2.728 0 40 BFAB C[C@H](NCCn1cccn1)c1ccc(Cl)cc1 42538699 RCWBVHHMSGFFKC-NSHDSACASA-N 249.745 2.887 0 40 BFAB O=C(O)c1cccn1-c1ccc(Cl)cc1F 42593072 NBRPYXMIVVILGM-UHFFFAOYSA-N 239.633 2.968 0 40 BFAB C[C@]1(C(=O)O)CC[C@H]2C(Br)=C[C@]21C 43440246 XVYWNXXKUFDIRD-WQGWLQIFSA-N 245.116 2.786 0 40 BFAB biogenic CCOC(=O)Cc1cc(Cl)ccc1F 43503469 SQUQMQNNDIKLHS-UHFFFAOYSA-N 216.639 2.585 0 40 BFAB CCc1ccccc1C(=O)[C@H]1CC[C@@H](C(=O)O)C1 43878964 BHEDYVCNZCWUGU-NWDGAFQWSA-N 246.306 2.933 0 40 BFAB c1coc(-c2noc(CN3CCCCCC3)n2)c1 44069523 MEIIQMSHBPAIFM-UHFFFAOYSA-N 247.298 2.706 0 40 BFAB Cc1cc(O)cc(C)c1NC1=NCCCS1 44136428 FXWQWFCVDXMJNM-UHFFFAOYSA-N 236.340 2.914 0 40 BFAB in-vitro CN1CCN(c2ccc(Cl)cc2Cl)CC1 45885956 ZIUYCCYKVUGEIO-UHFFFAOYSA-N 245.153 2.745 0 40 BFAB Cc1ccc(OCC(=O)N[C@@H](C)C(C)C)c(C)c1 45966069 XHYIAJMLZIWCRI-ZDUSSCGKSA-N 249.354 2.843 0 40 BFAB CCc1ccc(OCC(=O)N[C@@H](C)C(C)C)cc1 47077036 QUSWBHRYSVIZRP-LBPRGKRZSA-N 249.354 2.789 0 40 BFAB CC(C)[C@H]1CCCN1C(=O)c1cc(C2CC2)[nH]n1 49095498 CQDHPBSHFRJTCQ-CYBMUJFWSA-N 247.342 2.548 0 40 BFAB COc1ccc(C)cc1[C@](C)(O)C1CC1 55261539 IQQDXRCVQMROPJ-CYBMUJFWSA-N 206.285 2.621 0 40 BFAB CC1CCC(CNC(=O)[C@H]2C[C@@H]2C)CC1 55488721 SBONKHRQYTZJEG-ADPBJBESSA-N 209.333 2.585 0 40 BFAB CCOc1c(Cl)cc(C(=O)OC)cc1OC 58171880 HASGYKZCIUOLHG-UHFFFAOYSA-N 244.674 2.534 0 40 BFAB O=C1NCCc2ccc(-c3ccccc3)cc21 71203196 YONOZPRRPDZFDW-UHFFFAOYSA-N 223.275 2.640 0 40 BFAB in-vitro CCN1CCCC[C@H]1c1cnc(N)c(C)c1 72218457 IDKDRDRGFZTVGQ-LBPRGKRZSA-N 219.332 2.519 0 40 BFAB CCC(=O)c1cnc(N2CCCCC2)c(C)c1 72222455 VUVXPOWPWLQRKK-UHFFFAOYSA-N 232.327 2.973 0 40 BFAB CCCN(C(=O)c1cccs1)C1CC1 82425019 NBLRMQARRUTIFT-UHFFFAOYSA-N 209.314 2.763 0 40 BFAB N[C@@H](c1ccc(C(F)(F)F)cc1)C(F)F 84192289 YAQVAEGCXTZKOW-ZETCQYMHSA-N 225.160 2.970 0 40 BFAB O=C(/C=C/c1cccs1)NCCc1ccoc1 90607374 HNXYBTCWTDHHCH-ONEGZZNKSA-N 247.319 2.713 0 40 BFAB CSC[C@@H](C)N[C@H](C)c1ccc(C)o1 96477986 LAHYIEMXUJHGJZ-PSASIEDQSA-N 213.346 2.990 0 40 BFAB Cc1ccsc1COC(=O)C1=COCCC1 97047008 SWGFRSIMUDVFHA-UHFFFAOYSA-N 238.308 2.794 0 40 BFAB CCOC(=O)c1cc2cc(C(C)=O)ccc2n1C 98063762 DETWZXDZHQRVSQ-UHFFFAOYSA-N 245.278 2.558 0 40 BFAB Cc1cn[nH]c1NC(=O)Nc1ccccc1F 134706163 NUAPXAFNDKCVFV-UHFFFAOYSA-N 234.234 2.501 0 40 BFAB CC(=O)c1ccc(CNC2CC2)c(Cl)c1 169800784 LCVTTZAJQGCCGH-UHFFFAOYSA-N 223.703 2.795 0 40 BFAB CCCC[C@@H]1C[C@H](O)CN1CCC(C)C 217881046 NFJLULSBDNGYRL-OLZOCXBDSA-N 213.365 2.658 0 40 BFAB Cc1cc(F)ccc1N1CCN[C@H]2CCCC[C@H]21 218835464 PIUCDRHUXOYAGO-DZGCQCFKSA-N 248.345 2.855 0 40 BFAB CCOc1ccc2c(c1)c(CN)c(C)n2CC 223755796 QPBZVQWXAUXFDF-UHFFFAOYSA-N 232.327 2.827 0 40 BFAB CC[C@H](C(=O)O)N(C)c1ccccc1Cl 224987567 DNJWCDHNDDULDU-SECBINFHSA-N 227.691 2.639 0 40 BFAB Nc1ccc(-c2noc(C3CC3)n2)c(Cl)c1 225175191 OVAZHFFNUGBBHT-UHFFFAOYSA-N 235.674 2.850 0 40 BFAB CCOc1nn(C)c2ccc(Cl)cc12 225774665 LBRVMZZARKUXNO-UHFFFAOYSA-N 210.664 2.625 0 40 BFAB C[C@H](O)c1ccc(CNc2ccc(F)cn2)cc1 225818204 XNJAOZJQFMDXEB-JTQLQIEISA-N 246.285 2.886 0 40 BFAB CC(=O)N1c2ccc(Cl)cc2[C@@H]2O[C@@H]2[C@H]1C 242548026 KZLDEALJKUALKL-KKIHLJRUSA-N 237.686 2.535 0 40 BFAB COc1ccc2cccc(C3(CN)CC3)c2c1 258265442 OVSDPIKTFMOWEW-UHFFFAOYSA-N 227.307 2.839 0 40 BFAB c1ccc(-c2noc(-c3ccco3)n2)cc1 85208 AINKNWCODGPLKV-UHFFFAOYSA-N 212.208 2.997 0 40 BFAB Fc1ccccc1-c1nnc(-c2cccnc2)o1 422214 YDXPVAXKSSZTIF-UHFFFAOYSA-N 241.225 2.938 0 40 BFAB CC[C@H](C)NC(=O)CSc1ccccc1 577915 USBSCAICWXGOKC-JTQLQIEISA-N 223.341 2.693 0 40 BFAB CC1(C)CC(n2cccc2)CC(C)(C)N1 848786 FLEQDAPZJCJHDU-UHFFFAOYSA-N 206.333 2.970 0 40 BFAB O=S1(=O)CCCc2c1ccc1ccccc21 1641105 MFTYZEQIWFKLCR-UHFFFAOYSA-N 232.304 2.560 0 40 BFAB S=c1[nH]cnc2c1ncn2[C@@H]1C=CCCC1 2046175 QBUASACHPIAAOE-MRVPVSSYSA-N 232.312 2.770 0 40 BFAB CCOC(=O)[C@@H](C)Oc1ccccc1Cl 2549387 ZASLLZRPQBIMMY-MRVPVSSYSA-N 228.675 2.670 0 40 BFAB CCc1ccccc1NC(=O)C(F)(F)F 3193058 IWCDSTWXIHRPPU-UHFFFAOYSA-N 217.190 2.750 0 40 BFAB C[C@H]1[C@H]2CCC[C@H](C2=O)[C@@]2(O)CCCC[C@H]12 4026442 HZMOLOUVPKADBE-WRYZSIRCSA-N 222.328 2.543 0 40 BFAB NCc1c(Cl)cccc1-n1cccc1 4054740 IDLDHFUUHRCITP-UHFFFAOYSA-N 206.676 2.589 0 40 BFAB CCCCOc1ccc(NC(=S)NC)cc1 6240899 NBYLULRZGRXHJS-UHFFFAOYSA-N 238.356 2.782 0 40 BFAB Nc1ccccc1SCC(F)(F)F 8747392 HENBDRLKMRCDES-UHFFFAOYSA-N 207.220 2.923 0 40 BFAB in-vitro Cc1ccc(-c2nnc3ccc(Cl)nn23)cc1 9304961 IREBWCSJHJAMDT-UHFFFAOYSA-N 244.685 2.753 0 40 BFAB COc1ccc2ccc(C(=O)O)cc2c1 13548078 JJAGLIPYTVMFTL-UHFFFAOYSA-N 202.209 2.547 0 40 BFAB Cc1cc(C)nc(NC(=S)NC2CCCC2)c1 13837833 QYGPCMQKANKXSW-UHFFFAOYSA-N 249.383 2.927 0 40 BFAB CCOC(=O)/C=C(/C)Nc1ccc(OC)cc1 18252320 VCDKJCZDQCVIMW-KTKRTIGZSA-N 235.283 2.574 0 40 BFAB Clc1ccc(C2N3CCCCN23)cc1 19166901 HBAJHOSTAJJISF-UHFFFAOYSA-N 208.692 2.665 0 40 BFAB FC(F)(F)c1ccccc1[C@H]1CCNC1 35571224 BHQVEKYUXFSYAH-QMMMGPOBSA-N 215.218 2.782 0 40 BFAB CN[C@](C)(C(=O)O)c1ccc(Cl)cc1Cl 37180411 UHLLYKHRNOCFFG-JTQLQIEISA-N 248.109 2.513 0 40 BFAB COc1ccc(OC[C@H](O)c2ccccc2)cc1 37492221 REDPSWQMQWTCNS-HNNXBMFYSA-N 244.290 2.808 0 40 BFAB CC(=O)c1cnc(NC(=O)OC(C)(C)C)s1 39123800 CHQNTBULMDSWRL-UHFFFAOYSA-N 242.300 2.693 0 40 BFAB CNC(=O)/C=C/c1ccc(C(C)(C)C)cc1 43581434 PGOZGZCABIQAHE-JXMROGBWSA-N 217.312 2.743 0 40 BFAB Cc1ccc(C(=O)N2C[C@@H](C)OC[C@@H]2C)c(C)c1 45523785 AZHVGEDVGQOFLE-QWHCGFSZSA-N 247.338 2.553 0 40 BFAB CN(C(=O)c1cc(C2CC2)on1)C1CCCC1 58292234 PGDCLYLNFZXETN-UHFFFAOYSA-N 234.299 2.567 0 40 BFAB Cc1nccc([C@H]2CCCN(C3CCCC3)C2)n1 72187778 KZDIRAULYJKKAA-ZDUSSCGKSA-N 245.370 2.907 0 40 BFAB O=C(O)c1cc2cnc3ccccc3c2o1 72207166 VUCHVESHAQEPAO-UHFFFAOYSA-N 213.192 2.679 0 40 BFAB CCCN1CCC[C@H]1c1cccnc1S 72217063 RTCQEUYQPZAWCQ-NSHDSACASA-N 222.357 2.917 0 40 BFAB CCOc1ccc([C@H](O)c2ccccc2)cn1 72225163 SHLNVLCCOIQXOA-CQSZACIVSA-N 229.279 2.562 0 40 BFAB Cc1cccc(Cc2ccc(C(=O)O)o2)c1 83990719 FIELYIJKPXHINC-UHFFFAOYSA-N 216.236 2.877 0 40 BFAB Cc1cc(C)cc([C@@H](C)NC(=O)c2cocn2)c1 95951196 GDOKGTXFFVWCPU-LLVKDONJSA-N 244.294 2.782 0 40 BFAB CC(C)CCn1ccc(N[C@@H]2CCO[C@@H]2C)n1 95991634 UAOVYWCJAKFTIN-VXGBXAGGSA-N 237.347 2.519 0 40 BFAB NC(=O)[C@@H]1CCCCc2c1[nH]c1ccc(F)cc21 97455161 NFCOTMABMWEIHG-SNVBAGLBSA-N 246.285 2.602 0 40 BFAB C[C@@H]1CC(=O)[C@@H]2[C@@H](C1)[C@@H]1CC[C@]2(C)CC1=O 104097470 QBVXXJIGLMFGCN-ZGAQPHEGSA-N 220.312 2.607 0 40 BFAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1cccnc1 105925968 KWKPDDDQIYBJTF-SRVKXCTJSA-N 230.311 2.846 0 40 BFAB CC(=O)Nc1cccc(Cl)c1N1CCCC1 107849159 VZSBELUBPDRMNU-UHFFFAOYSA-N 238.718 2.899 0 40 BFAB c1cnc(O[C@H]2CCCc3ccccc32)nc1 138004474 TXMFNVMSPBQOAE-ZDUSSCGKSA-N 226.279 2.933 0 40 BFAB CN(c1nccc(C(F)(F)F)n1)C1CCCC1 192723821 WFODJIBJWWSUKT-UHFFFAOYSA-N 245.248 2.874 0 40 BFAB CC(=O)c1cc(-n2c(C)ccc2C)ccn1 199543746 UGWXSXUGGAAALF-UHFFFAOYSA-N 214.268 2.692 0 40 BFAB O=C(Nc1ncccc1F)OCc1ccccc1 199813279 CIUXWZLHOYZWSA-UHFFFAOYSA-N 246.241 2.969 0 40 BFAB Cc1nc(-c2nnc(-c3ccc(F)cc3)o2)co1 216604828 KDZGGHOZMWMBRQ-UHFFFAOYSA-N 245.213 2.839 0 40 BFAB COCCCc1cc(C)c(Br)cn1 536954285 OXKFBQICYQFIRB-UHFFFAOYSA-N 244.132 2.732 0 40 BFAB CC(C)OCC(F)(F)[C@H](F)C(F)(F)F 1083806424 XJHDBHRDCHVPGY-YFKPBYRVSA-N 224.144 2.947 0 40 BFAB O=[S@]12=Nc3c(ccnc3Cl)[C@H]1CCC2 1503350644 XLUXPCPMSYMZTL-UOWDBTKRSA-N 228.704 2.683 0 40 BFAB N[C@@H]1CCN(Cc2ccccc2)C2(CCC2)C1 1775955607 KGFHESRNJAEHDI-CQSZACIVSA-N 230.355 2.532 0 40 BFAB Cc1nnc2n1C(C)(C)Cc1ccccc1-2 50975 IASYRMWDVBBQJG-UHFFFAOYSA-N 213.284 2.545 0 40 BFAB CCOP1(=O)COc2ccccc2OC1 190564 ZPIKUXKBIPRXFD-UHFFFAOYSA-N 228.184 2.687 0 40 BFAB CC(C)N1C(=O)CS[C@H]1c1ccccc1 277910 HXSXRBBKEPKDKT-LBPRGKRZSA-N 221.325 2.669 0 40 BFAB CCOC(=O)CNc1ccc(C)c(Cl)c1 379441 ARDCMPDWYDUBKO-UHFFFAOYSA-N 227.691 2.623 0 40 BFAB CC(C)(C)NC(=O)c1nc2ccccc2s1 3329620 WVFUAJCVUKKUOB-UHFFFAOYSA-N 234.324 2.825 0 40 BFAB O[C@]12CCCC[C@H]1[C@H](Cc1ccccc1)NCC2 4698067 ZNBXUIHEGUGLBC-JYJNAYRXSA-N 245.366 2.512 0 40 BFAB biogenic,in-vitro CC1(C)[C@@H](O)CC[C@]2(C)[C@@H](O)CCC[C@]12C 4825990 RRFARTUDYDSMBW-CDGCEXEKSA-N 226.360 2.725 0 40 BFAB COc1c(OC(C)=O)ccc2c1C=CCCC2=O 5369145 JOPAAGLJLYIPNB-UHFFFAOYSA-N 246.262 2.610 0 40 BFAB C[C@H]1CC[C@@H](C)N1c1ccc(C(=O)O)cc1 8703805 TYXOTKZZMKKKBH-AOOOYVTPSA-N 219.284 2.762 0 40 BFAB Cc1cccc2[nH]cc(C3=CCNCC3)c12 19772465 KBBNPQRWXQYZAF-UHFFFAOYSA-N 212.296 2.853 0 40 BFAB O=C(O)c1ccc(Sc2ccccc2)nc1 19845384 PGPMGXDXFMRPJI-UHFFFAOYSA-N 231.276 2.931 0 40 BFAB OC1=Nc2n[nH]cc2[C@H](c2ccccc2F)C1 20721956 ZAMMBGLWLJIGGK-QMMMGPOBSA-N 231.230 2.672 0 40 BFAB Cc1ccc(Sc2ccc(C(N)=O)cn2)cc1 25066902 QGMVWQIRAXXNGI-UHFFFAOYSA-N 244.319 2.640 0 40 BFAB C[C@@H](c1ccccc1)N(C)C(=O)c1ccccn1 32721750 PYNLCISMNFZWOO-LBPRGKRZSA-N 240.306 2.915 0 40 BFAB COc1cc(NC(C)=O)c(Cl)cc1Cl 34327668 CTRIHOCZGTYVOA-UHFFFAOYSA-N 234.082 2.960 0 40 BFAB O=C(O)C1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 38343341 DUBXJYDLYSDKOX-AGUYFDCRSA-N 245.322 2.514 0 40 BFAB Clc1ccc(OCCNc2ncccn2)cc1 39976591 RQHBANMAMQCZMJ-UHFFFAOYSA-N 249.701 2.621 0 40 BFAB CCN(CC)C(=O)C1(c2ccccc2)CCC1 41500084 RFCGRDDIVLYQGR-UHFFFAOYSA-N 231.339 2.977 0 40 BFAB CCOC(CCCn1cccc1)OCC 43503304 YAQUKWOCWYWVSA-UHFFFAOYSA-N 211.305 2.667 0 40 BFAB Cc1ccccc1OCCNC(=O)C(C)(C)C 55954524 WGNHFNXNZMUGCC-UHFFFAOYSA-N 235.327 2.536 0 40 BFAB CNC(=O)c1cc2c(Cl)c(Cl)ccc2[nH]1 58280152 REZFAAMAMILUEY-UHFFFAOYSA-N 243.093 2.834 0 40 BFAB CCOC(=O)c1cc2cccc(F)c2nc1C 68135112 NKFKJIJVFZLZKJ-UHFFFAOYSA-N 233.242 2.859 0 40 BFAB CCNC(=O)c1cc2c(s1)CC[C@H](C)C2 69296580 ATLMBSQEQQLIGG-QMMMGPOBSA-N 223.341 2.623 0 40 BFAB CCOC(=O)c1cc(-c2ccc(CC)cc2)[nH]n1 71978726 WUBONSPOZNBYJH-UHFFFAOYSA-N 244.294 2.816 0 40 BFAB CCN1CCCC[C@@H]1c1cccnc1OC 72211735 IZDCECQTOSFWDI-GFCCVEGCSA-N 220.316 2.637 0 40 BFAB CC(C)N1CCCC[C@H]1c1cccnc1O 72212327 SVAMJETUUGGTPV-LBPRGKRZSA-N 220.316 2.723 0 40 BFAB CCN1CCC[C@@H]1c1cnc(NC)cc1C 72219031 LVICLNFOHBLGRX-GFCCVEGCSA-N 219.332 2.589 0 40 BFAB CCOCN(C(C)=O)c1c(C)cccc1CC 72266514 CGTPWDSKALFRMS-UHFFFAOYSA-N 235.327 2.904 0 40 BFAB COc1cccc(CSc2ncc[nH]2)c1 78996953 YWNXXRYEBXCTTG-UHFFFAOYSA-N 220.297 2.711 0 40 BFAB CC1CC(CN)([C@@H](O)c2cccc(Cl)c2)C1 85395833 AIXPKUFROWLUMZ-YHECAPGISA-N 239.746 2.748 0 40 BFAB Cc1cnnc2ccc(Br)cc12 85398968 QEIZCWVRQQZPBJ-UHFFFAOYSA-N 223.073 2.701 0 40 BFAB C[C@H]1CCC[C@@H](OCC(=O)N2CCCCC2)C1 89927340 AMKNCCICPVHDHK-QWHCGFSZSA-N 239.359 2.594 0 40 BFAB COc1c(F)cc(C=O)c(C)c1Cl 91252051 WYIOQVLMXMOGQK-UHFFFAOYSA-N 202.612 2.609 0 40 BFAB CCOc1c(C)cccc1CNC1CC1 95094837 OJHIAFUGRWJDAH-UHFFFAOYSA-N 205.301 2.646 0 40 BFAB C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccn1 95398638 NMLZXZFDWNQEIZ-BZPMIXESSA-N 244.338 2.875 0 40 BFAB CC(C)[C@@H](CO)N[C@H](C)CSC(C)(C)C 95423628 FVFRTODVZKMWDA-GHMZBOCLSA-N 233.421 2.513 0 40 BFAB OCC1(c2ccc(C(F)(F)F)cc2)CC1 95642089 WMECKDLHEJDNAB-UHFFFAOYSA-N 216.202 2.729 0 40 BFAB COc1ccc(F)cc1Cn1nc(C)cc1C 98012990 LMNMZCHZVMXYPS-UHFFFAOYSA-N 234.274 2.696 0 40 BFAB Cc1cscc1-c1nc([C@H]2CCOC2)no1 98019191 VURLPEZEHDCHMM-QMMMGPOBSA-N 236.296 2.610 0 40 BFAB NC(=O)N1CCCC2(CCCCC2)CC1 195577248 FLVGEGXUSUALEY-UHFFFAOYSA-N 210.321 2.502 0 40 BFAB N[C@H]1CCCC[C@H]1Nc1cc(F)ccc1F 218865874 PIDZLGQUGGFAJB-WDEREUQCSA-N 226.270 2.647 0 40 BFAB Cc1ccccc1N1CCN[C@@H]2CCCC[C@@H]21 225712685 FMXQQXOGVOSOTD-HIFRSBDPSA-N 230.355 2.716 0 40 BFAB c1ccc2[nH]c(CCN3CCCCCC3)nc2c1 584906212 LXLZFQDJDYTVDK-UHFFFAOYSA-N 243.354 2.981 0 40 BFAB O=C(C1CCC1)N1CC[C@H](c2ccsc2)C1 675008224 JJIYZTKAWZENHA-NSHDSACASA-N 235.352 2.864 0 40 BFAB C[C@@H](O)c1nc2cc3ccccc3cc2[nH]1 793072 JUUWHNCMDJJGBI-MRVPVSSYSA-N 212.252 2.769 0 40 BFAB O=C(O)/C=C/c1csc2ccccc12 2575243 OCCNZXOFXUAHOB-AATRIKPKSA-N 204.250 2.999 0 40 BFAB in-vitro Cc1ccc(NC(=O)[C@H]2C[C@@H]3C=C[C@H]2C3)nc1 4830537 JGSZGGGVLKPPLS-WOPDTQHZSA-N 228.295 2.541 0 40 BFAB Cc1cnc(SCc2ccco2)cn1 6072064 ZOIHGSRXHYKLEP-UHFFFAOYSA-N 206.270 2.670 0 40 BFAB O=C(c1ccco1)N1CCC[C@H](C(F)(F)F)C1 6508921 QIQAHLBGQNWKTC-QMMMGPOBSA-N 247.216 2.694 0 40 BFAB CCCCNC(=S)Nc1ccc2c[nH]nc2c1 8686175 DSBZOUZBEMMXKG-UHFFFAOYSA-N 248.355 2.649 0 40 BFAB O=C(O)c1ccc(CNc2cccc(F)c2)o1 8729666 WLPIOHOTQDPNTR-UHFFFAOYSA-N 235.214 2.729 0 40 BFAB Cc1ccc(CSc2nc(C)n[nH]2)cc1 11658289 MNTIRDRLFJKQHT-UHFFFAOYSA-N 219.313 2.714 0 40 BFAB CCc1ccc2nc(NC#N)sc2c1 13638847 JPULEIRJWBFXPE-UHFFFAOYSA-N 203.270 2.752 0 40 BFAB Cc1cc(C)c(C)c(OCC2CCNCC2)c1 14631429 FBUMFEYODWTIFH-UHFFFAOYSA-N 233.355 2.990 0 40 BFAB Cc1ccoc1C(=O)Nc1ccccc1F 25318434 QGUMMEIROZPCPN-UHFFFAOYSA-N 219.215 2.979 0 40 BFAB C[C@@H](NC(=O)C1CCCCC1)c1ccccn1 28781144 WPEPSHQLSXSEMO-LLVKDONJSA-N 232.327 2.839 0 40 BFAB C[C@@H](NC(=O)c1cccs1)c1ccccn1 28781355 TXAISZHPLNMGPR-SECBINFHSA-N 232.308 2.634 0 40 BFAB CC[C@@H]1CC[C@@H](C)N(COC(=S)S)C1 31923259 WKFBJZPCQAURFP-RKDXNWHRSA-N 233.402 2.686 0 40 BFAB Cc1ccc(NC(=O)[C@H]2CC=CCC2)nc1 32843878 UEJYPMVCWLBBCH-NSHDSACASA-N 216.284 2.685 0 40 BFAB CC(C)c1ccc(CNC2CCN(C)CC2)cc1 37248606 MECBJLGGZOUDHV-UHFFFAOYSA-N 246.398 2.994 0 40 BFAB O=C1CCSc2cc(F)c(F)cc21 37380937 ZKHRMJIMQAGHPD-UHFFFAOYSA-N 200.209 2.643 0 40 BFAB in-vitro c1ccc(CN2CCC[C@H]([C@@H]3CCCN3)C2)cc1 37859633 NTEQKPPDYLNFBT-HOTGVXAUSA-N 244.382 2.651 0 40 BFAB CCCCCC[C@@H](C)N1CCCNCC1 38086811 XXPQOQOJALPXKR-CYBMUJFWSA-N 212.381 2.641 0 40 BFAB CC[C@H](Oc1ccccc1C)C(=O)NCC(C)C 38753839 MRRQOWRSJOHLIC-ZDUSSCGKSA-N 249.354 2.925 0 40 BFAB FC(F)(F)Oc1ccc(Br)cn1 40448510 SQDAZGGFXASXDW-UHFFFAOYSA-N 241.994 2.743 0 40 BFAB Cc1cccc(-c2nc3ccccn3c2N)c1 45796044 WYTDBVDITGKMIG-UHFFFAOYSA-N 223.279 2.892 0 40 BFAB CC(C)C(=O)n1cc(C=O)c2ccccc21 49815776 GAZDTEOBGBWWLL-UHFFFAOYSA-N 215.252 2.750 0 40 BFAB COC1CCN(Cc2ccc(C)cc2)CC1 53906821 RBVMOHROENQRRT-UHFFFAOYSA-N 219.328 2.606 0 40 BFAB CCCCN(CC)c1cncc(Cl)n1 54917720 XQQFURHZIZPMDP-UHFFFAOYSA-N 213.712 2.756 0 40 BFAB Nc1cc(C(F)(F)F)ccc1C1CCNCC1 71790849 ZPSHOXCULHNASS-UHFFFAOYSA-N 244.260 2.755 0 40 BFAB in-vitro CCc1cccc2cc3c(nc12)O[C@H](C)CNC3 72392278 HKTZEJCBDIVEIO-SNVBAGLBSA-N 242.322 2.668 0 40 BFAB O=Cc1cccnc1NCc1ccccc1 75621598 LPVYGZZAGZLEPB-UHFFFAOYSA-N 212.252 2.506 0 40 BFAB Cc1cccc(NC(=O)[C@H]2CCCN(C)C2)c1C 82323062 QUJXCEFJNPZIGO-ZDUSSCGKSA-N 246.354 2.584 0 40 BFAB CCOC(=N)c1cc(F)cc(Br)c1 84194027 NLBIPWCXIFDIKE-UHFFFAOYSA-N 246.079 2.950 0 40 BFAB CC(=O)N[C@H](c1ccccc1)C1CCC1 89954609 QQADAEOQIPDETH-CYBMUJFWSA-N 203.285 2.664 0 40 BFAB CCCc1csc(Nc2cnn(C)c2)n1 95399459 PIMZKUHEACLWHL-UHFFFAOYSA-N 222.317 2.573 0 40 BFAB CCc1cc(CNCC(CC)CC)on1 95434041 SQMVDRAKVQXLPJ-UHFFFAOYSA-N 210.321 2.763 0 40 BFAB Fc1ccc(-c2noc(-c3cnco3)n2)cc1 216618371 ODPCUQAKLLJMSC-UHFFFAOYSA-N 231.186 2.531 0 40 BFAB COc1cc(Br)cc([C@@H](C)O)c1 238453708 KYINFRISJBDQLQ-ZCFIWIBFSA-N 231.089 2.511 0 40 BFAB Cc1cnn(CCF)c1NCc1cccs1 256053240 QQLNJKDLZJERIV-UHFFFAOYSA-N 239.319 2.835 0 40 BFAB O=C1C=CC(=O)N1c1cccc(-c2ccccc2)c1 522492 QQAJYNGNBJIZPR-UHFFFAOYSA-N 249.269 2.783 0 40 BFAB O=C(Nc1ccccc1)OCC(F)(F)F 1083818 DWYDJEHECXADHP-UHFFFAOYSA-N 219.162 2.797 0 40 BFAB in-vitro C[C@@H](O)c1ncc(C(F)(F)F)cc1Cl 1390372 IOSFJFKGYDWBRF-SCSAIBSYSA-N 225.597 2.807 0 40 BFAB Clc1ccc(-c2nnc3n2CCCC3)cc1 1402369 MPSPJPGYAHGRGY-UHFFFAOYSA-N 233.702 2.935 0 40 BFAB CNC(=O)c1cccc2c1Cc1ccccc1-2 1632654 ZLFNQADGUKKGKN-UHFFFAOYSA-N 223.275 2.617 0 40 BFAB CCCOc1ccc(-c2nnc(N)s2)cc1 2333492 ACRFARYXBALTIF-UHFFFAOYSA-N 235.312 2.576 0 40 BFAB CN1CC=C(c2ccc3[nH]ccc3c2)CC1 2526994 NLIAPQZSGWHLDK-UHFFFAOYSA-N 212.296 2.887 0 40 BFAB O=C(CSc1ncccn1)c1ccc(F)cc1 3233996 IVLYFNWUPQJHSI-UHFFFAOYSA-N 248.282 2.591 0 40 BFAB Cc1ccc(CC(=O)Nc2cc(C)on2)c(C)c1 5268123 KMJYUWHFUOKGSU-UHFFFAOYSA-N 244.294 2.781 0 40 BFAB Cc1csc(NC(=O)Cc2ccsc2)n1 5678617 IYVLBRDAYLMZMO-UHFFFAOYSA-N 238.337 2.694 0 40 BFAB Cc1cc(C=O)c(N2CCCC2)cc1C 8702893 JFGHGXCBXDTAGC-UHFFFAOYSA-N 203.285 2.716 0 40 BFAB c1ccc(CN2CCC(CNC3CC3)CC2)cc1 8731163 OSXPIQYXAJNIEH-UHFFFAOYSA-N 244.382 2.651 0 40 BFAB Cc1cccc(C(=S)N2C[C@@H](C)O[C@H](C)C2)c1 9188984 SCPFZKHAHMNNLP-VXGBXAGGSA-N 249.379 2.780 0 40 BFAB Nc1ccc(NC(=O)c2cccnc2)cc1Cl 19897692 KNPXTGZVVKYFQV-UHFFFAOYSA-N 247.685 2.570 0 40 BFAB C[C@H](NC(=O)c1ccoc1)c1ccc(F)cc1 21836045 OGRSMZOHHUNVBQ-VIFPVBQESA-N 233.242 2.910 0 40 BFAB Cc1ccnc(NC(=O)c2ccc(Cl)o2)c1 22243229 XUZSJAATNRKRPD-UHFFFAOYSA-N 236.658 2.889 0 40 BFAB Cc1cn2nc(NCc3ccccc3)sc2n1 26690614 ICCKZOUKCOODRY-UHFFFAOYSA-N 244.323 2.711 0 40 BFAB Cc1ccc(-n2nc(Cl)ccc2=O)cc1C 32919092 XSSZNZUMPWEVNY-UHFFFAOYSA-N 234.686 2.503 0 40 BFAB NCc1ccccc1-c1ccccc1C(=O)O 34574456 IPUFFJSTKHPCBZ-UHFFFAOYSA-N 227.263 2.511 0 40 BFAB CCc1c(-c2cc(F)ccc2F)noc1N 36916565 YVNDKEMXFDIHGF-UHFFFAOYSA-N 224.210 2.764 0 40 BFAB Fc1ccc(-c2nc([C@H]3CCCCN3)no2)cc1 40443339 VLYIBRPEPMWVIG-LLVKDONJSA-N 247.273 2.690 0 40 BFAB CCCN(CC)c1ccc(C(=O)N(C)C)cc1 69492879 HYAUBNRBBLKCOB-UHFFFAOYSA-N 234.343 2.625 0 40 BFAB Cc1cc(C)c(NC(=O)c2cccnc2)c(N)c1 70462815 PMGNUDKMNHOIAT-UHFFFAOYSA-N 241.294 2.533 0 40 BFAB CC[C@@H](N)[C@H]1CCCCN1C(=O)OC(C)(C)C 72208708 CGUGIQIRIKPHDO-GHMZBOCLSA-N 242.363 2.513 0 40 BFAB CC(C)CNc1ccc([C@H]2CCCN2C)cn1 72213300 SSGWODYVFJRHJE-CYBMUJFWSA-N 233.359 2.916 0 40 BFAB CCN1CCCC[C@H]1c1ccc(NC)nc1C 72219117 AGHWNGQYRIOJLZ-ZDUSSCGKSA-N 233.359 2.979 0 40 BFAB COc1cccc(Nc2ccccc2C(N)=O)c1 72290586 WKQXLVKUXDROBK-UHFFFAOYSA-N 242.278 2.538 0 40 BFAB C[C@H]1CC(C)(C)N(C)c2cc(O)c(C=O)cc21 81223233 RJXNFWFYOYFLIP-VIFPVBQESA-N 233.311 2.927 0 40 BFAB O=C(Nc1cccc(Cl)c1)c1cnco1 82324461 GOVSEHDRHIRMFU-UHFFFAOYSA-N 222.631 2.580 0 40 BFAB Brc1nc(C2CC2)n2c1CCCC2 84056617 FAZQHJZXNATRRY-UHFFFAOYSA-N 241.132 2.859 0 40 BFAB CCCc1c(N)cnn1-c1cccc(F)c1 85634784 CCDUQDAYEISAES-UHFFFAOYSA-N 219.263 2.546 0 40 BFAB in-vitro C[C@@H](O)C1(c2ccc(F)c(Cl)c2)CC1 95739140 RQZJHRVANZBTPE-SSDOTTSWSA-N 214.667 2.892 0 40 BFAB Brc1cn(-c2ccccc2)cn1 96105109 PYCHREPCYDQKIQ-UHFFFAOYSA-N 223.073 2.635 0 40 BFAB NC[C@H]1CCCCN1CCCCc1ccccc1 96523580 XJXMXXWJCGYXHD-MRXNPFEDSA-N 246.398 2.823 0 40 BFAB c1coc(CN(C[C@@H]2CCCN2)C2CCCC2)c1 96523682 JRJXADMNCCBORM-ZDUSSCGKSA-N 248.370 2.776 0 40 BFAB O[C@H]1C[C@@H](c2ccc(Br)cc2)C1 100175976 DUZJORQWSPNAKY-CZMCAQCFSA-N 227.101 2.687 0 40 BFAB OCc1cccc(NCCc2ccccc2F)c1 191943555 YZZRFJXFYLHAPA-UHFFFAOYSA-N 245.297 2.973 0 40 BFAB Oc1cccc(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 195575997 GXSAMNBVLABXQA-MJBXVCDLSA-N 245.322 2.762 0 40 BFAB CCNC(=S)Nc1ccc2sncc2c1 225171212 YLCFIEXTMXYNDO-UHFFFAOYSA-N 237.353 2.603 0 40 BFAB Cc1c(F)cccc1[C@H](O)C(F)(F)F 1536124932 MCTSMZGLNINKTO-QMMMGPOBSA-N 208.154 2.730 0 40 BFAB C[S@@](=N)(=O)Cc1cccc(Br)c1 1565504768 DZVVVKTZIDINMP-GFCCVEGCSA-N 248.145 2.626 0 40 BFAB CCOC(=O)[C@@H]1C[C@H]1c1cccc(C)c1C 1857793767 MIVFGRDFDKGOAT-QWHCGFSZSA-N 218.296 2.970 0 40 BFAB COC(=O)/C=C/SC(=S)[C@@H]1CCCC1=N 1567294 WMJRFIIGUVFVCH-SNKZLWSPSA-N 243.353 2.554 0 40 BFAB CC[C@H](C)NCCOC(=O)Nc1ccccc1 1996779 FUJZOHBZONWEIW-NSHDSACASA-N 236.315 2.623 0 40 BFAB CCCCCCOc1ccc(C(N)=O)cc1 2512538 NXOVDGSWSADBOP-UHFFFAOYSA-N 221.300 2.745 0 40 BFAB CCCNCc1ccc(OCC)c(OCC)c1 2633238 ZYZAWPKVEFFDSO-UHFFFAOYSA-N 237.343 2.984 0 40 BFAB c1ccc(-c2nc3n(n2)Cc2ccccc2-3)cc1 3165163 LRWMMTRDMNVTEE-UHFFFAOYSA-N 233.274 2.974 0 40 BFAB CCc1cnc(NC(=O)/C=C/c2ccco2)s1 4539952 WMKQGJCPPGCTPW-AATRIKPKSA-N 248.307 2.950 0 40 BFAB CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@H]2Nc1ccccn1 5541250 AJUNTFPBSOPTHR-JVLSTEMRSA-N 244.338 2.887 0 40 BFAB Clc1ccc(CNC2=NCCS2)cc1 5634164 IASPZIUPJFUGFE-UHFFFAOYSA-N 226.732 2.532 0 40 BFAB in-vitro NCc1ccc(-c2ccc(C(=O)O)cc2)cc1 13642066 DHPXOOZAUQHRKS-UHFFFAOYSA-N 227.263 2.511 0 40 BFAB Nc1nc2c(F)c(Cl)ccc2s1 15442795 RWUOSOHBOYWICN-UHFFFAOYSA-N 202.641 2.671 0 40 BFAB in-vitro O=C(C1CCCCC1)N1CCC[C@H]1c1cc[nH]n1 19695487 BMBRHDWSXPSGHI-ZDUSSCGKSA-N 247.342 2.654 0 40 BFAB Brc1cccc([C@H]2CCNC2)c1 19785231 VSILMHOCUHKEQH-VIFPVBQESA-N 226.117 2.526 0 40 BFAB COC(=O)/C=C/SC(=S)c1ccccc1 20085930 MNWPPIMXXKMBSA-BQYQJAHWSA-N 238.333 2.782 0 40 BFAB Cc1ccc(C(=O)N2CCC[C@@H](C)C2)s1 33023543 YVNRFJVSYLPTBY-SECBINFHSA-N 223.341 2.929 0 40 BFAB CC(C)(C)NC[C@H](O)c1sccc1Cl 33829476 REQYNMUQDOSYGC-QMMMGPOBSA-N 233.764 2.823 0 40 BFAB O=C(CCc1ccccc1)c1cccnc1 34274984 ZOUYNOYKFGUERZ-UHFFFAOYSA-N 211.264 2.897 0 40 BFAB O=C(Nc1ccccc1)c1cc(C2CC2)on1 41452840 VUZNXGJVEBZHLK-UHFFFAOYSA-N 228.251 2.804 0 40 BFAB CCN(CC)C(=O)Nc1ccc(OC)c(C)c1 48697323 ZYYAXJAGTQQEHH-UHFFFAOYSA-N 236.315 2.877 0 40 BFAB CCC(=O)c1cc(F)cc(Br)c1O 52068527 HPOQYGSGVWZJRQ-UHFFFAOYSA-N 247.063 2.887 0 40 BFAB O=C(N[C@@H]1CCCc2occc21)C1CCCC1 69375617 IGWNDVJKKSAUPU-GFCCVEGCSA-N 233.311 2.963 0 40 BFAB CNc1ncc([C@H]2CCCCN2C)cc1C 72218995 NWPMIMILVQVCCK-GFCCVEGCSA-N 219.332 2.589 0 40 BFAB Cc1cc([C@@H](C)O)cnc1NC(C)(C)C 72222926 CGAHQNAUGHCJHM-SECBINFHSA-N 208.305 2.654 0 40 BFAB Cc1ccc2nc(C3=CCN(C)CC3)[nH]c2c1 73636230 WALWVNGRQZYAQF-UHFFFAOYSA-N 227.311 2.590 0 40 BFAB CC(C)=CC(=O)N1CCOC[C@@H]1c1ccccc1 76068302 ZERBPDKPUXZRFH-CQSZACIVSA-N 245.322 2.553 0 40 BFAB CC1(C)C[C@@]1(CN)c1ccc(F)cc1F 76643418 BIPPFOTUDGOILB-GFCCVEGCSA-N 211.255 2.591 0 40 BFAB Cc1cc(-c2nc(-c3cccs3)no2)on1 78773569 AUIWCHQPDYIUHJ-UHFFFAOYSA-N 233.252 2.762 0 40 BFAB COc1cccc(-c2ccc(C=O)c(C)n2)c1 82481588 HVOFLBSVTLVDAY-UHFFFAOYSA-N 227.263 2.878 0 40 BFAB CNc1nc2c(s1)C[C@H](C(F)(F)F)CC2 82862546 SDUGDWUNKNSXCE-RXMQYKEDSA-N 236.262 2.852 0 40 BFAB Clc1cc2c(Cl)nncc2nc1Cl 95098054 WZJMQNDICLQFDF-UHFFFAOYSA-N 234.473 2.985 0 40 BFAB Cn1cccc1[C@H](O)c1ccc(Cl)c(F)c1 95727655 HGJZUWIHAQBULS-GFCCVEGCSA-N 239.677 2.899 0 40 BFAB O=C(c1cc(F)cc(Cl)c1)C(F)F 95916234 CJVBRCXTNRFLAD-UHFFFAOYSA-N 208.566 2.927 0 40 BFAB C[C@H](O)c1[nH]c2ccccc2c1Br 96509774 YNFCOBSHKUMELA-LURJTMIESA-N 240.100 2.984 0 40 BFAB Cc1cc(C)cc(N[C@H]2CCCC[C@H]2N)c1 145311762 DAAMSTPRPNAJAZ-KGLIPLIRSA-N 218.344 2.985 0 40 BFAB O=C(Nc1ccccc1)c1ccc2cnncc2c1 148458838 FJWVBULZCAOVEV-UHFFFAOYSA-N 249.273 2.882 0 40 BFAB COc1ccc([C@@H]2CN[C@@H]3CCC[C@H]32)cc1 248187089 IOHDMJKBWKLGRB-MELADBBJSA-N 217.312 2.551 0 40 BFAB Cc1nc(COc2cccnc2C)cs1 272892554 KAPWAPSVFJNMTK-UHFFFAOYSA-N 220.297 2.734 0 40 BFAB O=C(c1cc(F)ccc1Cl)N1CC(CF)C1 335426625 AMDDGDGYWOQUFZ-UHFFFAOYSA-N 245.656 2.521 0 40 BFAB CCCCOCc1nn(CC)cc1Cl 408715529 VKEXSXSGZDEBLS-UHFFFAOYSA-N 216.712 2.873 0 40 BFAB COc1ccccc1Nc1ncnc(C)c1F 1888859492 FCGISUDFRYANMS-UHFFFAOYSA-N 233.246 2.676 0 40 BFAB CCN(CC)C(=S)NC1CCCCC1 136174 GLKHKUPLTXFSQT-UHFFFAOYSA-N 214.378 2.535 0 40 BFAB biogenic O=C1N[C@@H](c2ccccc2)Oc2ccccc21 267439 AMZRLVJMBHMIPA-CQSZACIVSA-N 225.247 2.508 0 40 BFAB CC(C)C[C@@H](C)NC(=O)Cc1ccccc1F 362228 QHXPFVGJPUJAPP-LLVKDONJSA-N 237.318 2.919 0 40 BFAB CC1(C)C[C@@H]2C[C@@H](CC(C)(C)C2=O)C1=O 1851271 TZEDBMOSQPTRPQ-IUCAKERBSA-N 208.301 2.607 0 40 BFAB CCC1(CC)N(O)[C@H](C)C(c2ccccc2)=[N+]1[O-] 2236815 LGUUNGJLWSSUBD-LLVKDONJSA-N 248.326 2.596 0 40 BFAB CCOC(=O)C(C)(C[C@H](C)CC)C(=O)OCC 2578805 LYTPHCFAPFXOQP-SNVBAGLBSA-N 244.331 2.555 0 40 BFAB CN(C)CCO[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C 4411304 FFSUJINLERSHGM-OUCADQQQSA-N 225.376 2.779 0 40 BFAB CCOc1ccc(-c2cn3ncsc3n2)cc1 5182367 XWLQYXJTDQDLAQ-UHFFFAOYSA-N 245.307 2.857 0 40 BFAB C[C@@H]1CCC[C@H](NC(=O)c2ccccn2)[C@@H]1C 6435766 CWMQOLYRWYJRRD-UTUOFQBUSA-N 232.327 2.636 0 40 BFAB O=C(Nc1ccc(Cl)cn1)c1ccccc1O 6668522 HMFLQLMKAVSXEV-UHFFFAOYSA-N 248.669 2.693 0 40 BFAB O=c1ccnc(S/C=C/c2ccccc2)[nH]1 8772802 FILTZVXGKWJNGT-VQHVLOKHSA-N 230.292 2.533 0 40 BFAB C[C@@H](NC(=O)c1ccccn1)c1cccs1 12977598 STCCULQAAQBCEF-SECBINFHSA-N 232.308 2.634 0 40 BFAB COC(=O)/C=C\c1ccc2c(c1)CCCC2 17316742 FSZKLFLTFYSJPX-CLFYSBASSA-N 216.280 2.752 0 40 BFAB C[C@@H](NC(=O)Nc1ccccc1)c1ccncc1 18172010 PKWGRFWMJAFUEN-LLVKDONJSA-N 241.294 2.964 0 40 BFAB C[C@H](c1cccc(Cl)c1)N1CCC(N)CC1 20521578 YNQJJCVFBJMULD-SNVBAGLBSA-N 238.762 2.824 0 40 BFAB Nc1cccc2c(-c3ccccc3)n[nH]c12 31990409 DNDFZHNOXBIURT-UHFFFAOYSA-N 209.252 2.812 0 40 BFAB Cc1cc(C(=O)Nc2ccc(F)c(F)c2)on1 32740612 PEGGQKABVZECBI-UHFFFAOYSA-N 238.193 2.514 0 40 BFAB C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1cccnc1 32787700 WRSZZFVMWLTOCR-YPMHNXCESA-N 232.327 2.732 0 40 BFAB C=CC(=O)N[C@H](C)c1ccccc1OC(C)C 37014386 WYLRTDBPPLUZHU-LLVKDONJSA-N 233.311 2.837 0 40 BFAB Fc1ccc(CNCc2nccs2)cc1F 40443951 VKBVWBNFVHSTNA-UHFFFAOYSA-N 240.278 2.711 0 40 BFAB O=C(NCc1ccc[nH]1)c1ccc(Cl)cc1 41538082 UPIKXUIXGWVULB-UHFFFAOYSA-N 234.686 2.598 0 40 BFAB COc1ccc2c(c1)CCC[C@]2(O)C(F)(F)F 43367945 KQQKDNLMXYUGGE-LLVKDONJSA-N 246.228 2.781 0 40 BFAB COC(=O)c1cc(Cl)ccc1OC(F)F 44199607 LCCLPPNNNOBJLR-UHFFFAOYSA-N 236.601 2.728 0 40 BFAB O=C1CCSc2cccc(Cl)c2N1 45920969 VYFXHPYGCWGGKL-UHFFFAOYSA-N 213.689 2.774 0 40 BFAB CC(C)CC(=O)c1ccc(N2CCOCC2)cc1 49835668 RRIGBJYMXDJWJV-UHFFFAOYSA-N 247.338 2.752 0 40 BFAB Cc1ccc(F)cc1[C@@H](O)c1ccccn1 55201237 UTUVNAAXYMUFTG-CYBMUJFWSA-N 217.243 2.611 0 40 BFAB C[C@@H](O)[C@H]1C[C@@H]1c1c(F)cccc1Cl 62713898 VQOQDOFTPMLQDE-PRJMDXOYSA-N 214.667 2.963 0 40 BFAB C[C@H]1C[C@H](SCc2ccccc2)C(=O)O1 65576087 OADPXXKPBOQIBJ-ONGXEEELSA-N 222.309 2.624 0 40 BFAB Cc1ccnc([C@H]2CCCN(C3CCCC3)C2)n1 72356815 JURBWIGVOWZBMT-ZDUSSCGKSA-N 245.370 2.907 0 40 BFAB O[C@H](c1c(F)cccc1Cl)C1CC1 84194163 QOAKHRPBFJOKQY-JTQLQIEISA-N 200.640 2.923 0 40 BFAB COc1ccc(-n2ccc(C(F)(F)F)n2)cc1 89065123 XIOTVWAVHBCJJE-UHFFFAOYSA-N 242.200 2.900 0 40 BFAB Clc1cc2c(s1)C1(CCNCC1)OCC2 90397758 PCGVVVWNGDCXBM-UHFFFAOYSA-N 243.759 2.553 0 40 BFAB in-vitro Oc1ccc2nc(OC(F)F)ccc2c1 91362293 QMROPQCQPJHIHN-UHFFFAOYSA-N 211.167 2.542 0 40 BFAB Fc1cc(Cl)ccc1Cn1ccnc1 95731883 YOGCEHXHVAAKLB-UHFFFAOYSA-N 210.639 2.724 0 40 BFAB CC1CCN(Cc2cccc(C=O)c2)CC1 95738631 RSQIMNIBUGUTDR-UHFFFAOYSA-N 217.312 2.731 0 40 BFAB CC(C)c1ccc(Cc2nnc(S)[nH]2)cc1 96287866 HSYJTHYXDNGGPN-UHFFFAOYSA-N 233.340 2.808 0 40 BFAB CC(C)(C)OC(=O)N[C@H]1CCc2ccc(O)cc21 136353949 HWLAUUTUIGOWAB-LBPRGKRZSA-N 249.310 2.904 0 40 BFAB C[C@H](NN)c1ccc(F)c2ccccc12 199534844 ZPUCHZHFIFPGJV-QMMMGPOBSA-N 204.248 2.503 0 40 BFAB CCC(CC)CN[C@H]1CSC1(C)C 308247577 XUUHBRNXOYUXMI-JTQLQIEISA-N 201.379 2.906 0 40 BFAB FC1(F)CC[C@H](CNc2nccs2)C1 846750700 DTFYZUXAYLAKDE-ZETCQYMHSA-N 218.272 2.990 0 40 BFAB CC(=O)COCCCC(F)(F)C(F)(F)F 1083806970 GPCOKCLYFNVYPM-UHFFFAOYSA-N 234.164 2.570 0 40 BFAB C[C@H]1CCCN(C(=O)Cc2cccs2)C1 337670 KPWYKRKCYJTGNN-JTQLQIEISA-N 223.341 2.549 0 40 BFAB COc1ccc2ccc(C=O)cc2c1OC 1559754 YJNUKMZHZBQFRJ-UHFFFAOYSA-N 216.236 2.670 0 40 BFAB CNCc1c(S)ccc2ccccc12 1627328 STXRUMIZWWTREQ-UHFFFAOYSA-N 203.310 2.848 0 40 BFAB CC(C)C[C@H](N)c1nc2ccccc2o1 4207321 YOZFIGMCBNHOJT-VIFPVBQESA-N 204.273 2.874 0 40 BFAB O=C(NC1CCCCC1)OCc1cccnc1 5616464 RBGXGPAAOPSNAQ-UHFFFAOYSA-N 234.299 2.641 0 40 BFAB CCCCCC(=O)NCc1cccs1 6040026 MJPMGQAXNXKJFW-UHFFFAOYSA-N 211.330 2.945 0 40 BFAB CN[C@H](Cc1ccc(O)cc1)c1ccc(O)cc1 6481889 RQAVSHSVHJJZQG-OAHLLOKOSA-N 243.306 2.601 0 40 BFAB Cc1ccc(NC(=S)N(C)C)cc1Cl 6488181 IOSRDCDJNGRQKT-UHFFFAOYSA-N 228.748 2.907 0 40 BFAB CCOc1cccc2c1cc(C(=O)O)n2CC 6712679 SRPDTUVHVOFYDB-UHFFFAOYSA-N 233.267 2.758 0 40 BFAB O[C@H](c1cc(F)cc(F)c1)C(F)(F)F 8324315 TWRIUQYQEJEUKF-SSDOTTSWSA-N 212.117 2.561 0 40 BFAB Cc1ccc(NC(=O)CC(C)(C)C)c(N)c1 8703510 QNJIRXGABFZOIJ-UHFFFAOYSA-N 220.316 2.952 0 40 BFAB CN(C(=O)c1ccco1)C1CCCCC1 10774806 KXRFBRBHSBKKTN-UHFFFAOYSA-N 207.273 2.684 0 40 BFAB O=C(NCCc1ccco1)c1ccccc1Cl 13012577 BCMHRBBHMDCNDS-UHFFFAOYSA-N 249.697 2.906 0 40 BFAB Cc1ccc(OCCN2CCCCCC2)c(N)c1 13992577 LHLCBBACIBBEPV-UHFFFAOYSA-N 248.370 2.832 0 40 BFAB Cc1nc(CCC(=O)O)oc1-c1ccccc1 19388873 VDQCGNBJGMCHAC-UHFFFAOYSA-N 231.251 2.667 0 40 BFAB in-vitro O=C(Nc1ccon1)Nc1ccccc1Cl 20508109 OGYPTHVXTWREPI-UHFFFAOYSA-N 237.646 2.972 0 40 BFAB Cc1cccc(Oc2cc(CN)ccn2)c1C 22166704 ISAJYANLQVWDBG-UHFFFAOYSA-N 228.295 2.949 0 40 BFAB in-vitro C[C@H](NC(=O)c1ccc(O)c(Cl)c1)C1CC1 25591932 GFILKRFCUQZYNY-ZETCQYMHSA-N 239.702 2.574 0 40 BFAB Nc1cccc2c(-c3cccs3)n[nH]c12 31990421 BACPFIOCZJELAU-UHFFFAOYSA-N 215.281 2.874 0 40 BFAB C[C@@H](O)c1ccccc1NC(=O)c1ccccc1 34082874 MUTYBRCSBLSQCI-LLVKDONJSA-N 241.290 2.992 0 40 BFAB FC(F)(F)COc1ccc(CNC2CC2)cc1 34658214 HTJWWDQOWVBEHP-UHFFFAOYSA-N 245.244 2.880 0 40 BFAB CC(C)Sc1ccc(-c2nnc(N)o2)cc1 34936072 LRBSZOHCUQCPOK-UHFFFAOYSA-N 235.312 2.819 0 40 BFAB in-vitro NCCCCc1ccc(Br)cc1 36161965 FXUMCOWHPYFSPX-UHFFFAOYSA-N 228.133 2.731 0 40 BFAB CC(=O)N[C@H](c1ccc(F)cc1)C(C)C 36396690 ALBNAMOVZDKRBH-LBPRGKRZSA-N 209.264 2.659 0 40 BFAB Cc1cc(C)cc(C(=O)Nc2cc(C)nn2C)c1 40030713 CVLJVSHZCVTLPO-UHFFFAOYSA-N 243.310 2.598 0 40 BFAB O[C@@H]1C[C@@H]2C=C[C@H]3C=C(c4ccccc4)[C@@H]1[C@H]32 45070834 CFWGFWXYQMMSFE-RWBGONCASA-N 224.303 2.883 0 40 BFAB CC(=O)N[C@@H]1CCC(C)(C)c2ccccc21 49479818 VEWKIPBGQXNOKN-CYBMUJFWSA-N 217.312 2.935 0 40 BFAB Cc1ccc(Cn2c(C)cc(C=O)c2C)o1 53038270 VLWXOPSMZOQDLR-UHFFFAOYSA-N 217.268 2.867 0 40 BFAB CNC(=O)CSCc1ccc(C(C)C)cc1 57688554 MZVIXDGCULEGDG-UHFFFAOYSA-N 237.368 2.789 0 40 BFAB NCC1(c2ccc(F)cc2Cl)CCC1 62606991 BPPFUEWNQROFDY-UHFFFAOYSA-N 213.683 2.860 0 40 BFAB CNC(=O)c1cnc(/C=C/c2ccccc2)s1 65594428 MMBWEOWRAYJIHO-BQYQJAHWSA-N 244.319 2.673 0 40 BFAB Cc1cccc(CN2CCC[C@@]3(CCNC3)C2)c1 72147874 ZHEYJQMEURTKRJ-INIZCTEOSA-N 244.382 2.571 0 40 BFAB Fc1ccccc1-n1cnc(Br)c1 72193538 NFMSAMHIFRMMNZ-UHFFFAOYSA-N 241.063 2.774 0 40 BFAB Cc1nc(O)ccc1[C@@H]1CCCN1C(C)C 72218199 JKYNREGOICAYJQ-LBPRGKRZSA-N 220.316 2.641 0 40 BFAB CCN1CCC[C@@H]1c1cnc(N(C)C)cc1C 72218671 WQXKKEQCJANMHW-CYBMUJFWSA-N 233.359 2.613 0 40 BFAB Cc1ccc(NC(=O)C2CC=CC2)cc1C(=O)O 85159884 FTPZAOFNEUTRSO-UHFFFAOYSA-N 245.278 2.598 0 40 BFAB Cc1cc(F)ccc1CN1CC[C@]2(CCOC2)C1 93820415 MNBWHYPSDAVXDV-HNNXBMFYSA-N 249.329 2.747 0 40 BFAB O=C(c1cccc(F)c1)C(F)(F)Cl 95917059 WPFXDSSNNHJAGA-UHFFFAOYSA-N 208.566 2.840 0 40 BFAB CC(C)Oc1c(Cl)cccc1NCCCO 95965294 OPKZSVLQVBOKRV-UHFFFAOYSA-N 243.734 2.922 0 40 BFAB Cc1cc(CNC(=O)/C=C/c2ccoc2)c(C)o1 96120549 ZHSBIXRPQCVIAR-ONEGZZNKSA-N 245.278 2.819 0 40 BFAB CC(C)Nc1c(Cl)ncnc1Cl 96515806 UGEOWXLMMDZKFA-UHFFFAOYSA-N 206.076 2.604 0 40 BFAB Cc1nnc(CN[C@@H](C)[C@@H](C)c2ccccc2)o1 97048991 CEHTXKRRXZRRJE-MNOVXSKESA-N 245.326 2.660 0 40 BFAB COCOCc1cccc(C(F)(F)F)c1 98174964 ODSOPIKRJGSHQO-UHFFFAOYSA-N 220.190 2.826 0 40 BFAB Fc1ccccc1COc1cccnc1 126156138 JXLOQLLRZBGOAN-UHFFFAOYSA-N 203.216 2.800 0 40 BFAB NN[C@H](c1ccc(F)cc1)c1ccccc1F 161781096 QOZRCUAEVJPSIY-CYBMUJFWSA-N 234.249 2.518 0 40 BFAB Cc1cc(Cl)c(C=O)c(=O)n1CCC(C)C 218805883 RWKOHZQUJFTIJF-UHFFFAOYSA-N 241.718 2.669 0 40 BFAB C[C@@H]1CC[C@H](N[C@H]2CCCn3ncnc32)C[C@H]1C 252585904 LZYKDYVVWWDHAA-NDBYEHHHSA-N 248.374 2.527 0 40 BFAB CC(C)(C)OC(=O)N1CC2(CCC2(F)F)C1 307315727 JAHMGKSICSYKLS-UHFFFAOYSA-N 233.258 2.653 0 40 BFAB Cc1conc1C(=O)N(C)[C@H]1CCC(C)(C)C1 632816720 GHTKHYMHEBTLTK-JTQLQIEISA-N 236.315 2.634 0 40 BFAB CCc1[nH]c2cccc(CC)c2c(=O)c1C 685938340 IQHIPLKCPSJLDP-UHFFFAOYSA-N 215.296 2.961 0 40 BFAB FC(F)(F)C1CCN(c2nccs2)CC1 846748747 ZZZWRQKZBXIBLY-UHFFFAOYSA-N 236.262 2.922 0 40 BFAB COc1cccc2c(-c3ncn(C)n3)cccc12 2362801515 KBBWRZWMJUIWHC-UHFFFAOYSA-N 239.278 2.644 0 40 BFAB Cc1cc(N(C)C)nc(Nc2ccccc2)n1 118222 BLSAOFXWZBPJER-UHFFFAOYSA-N 228.299 2.595 0 40 BFAB Cc1cccc(C(=O)Nc2cc(C)ccn2)c1 361815 PJRQZDNIBLMQFQ-UHFFFAOYSA-N 226.279 2.951 0 40 BFAB CCCc1noc(-c2ccccc2C)n1 430453 XFVMVSNUGSOVQX-UHFFFAOYSA-N 202.257 2.998 0 40 BFAB Cc1ccc(NC(=O)c2cccnc2Cl)nc1 484072 HGOBJDGVLNOPAR-UHFFFAOYSA-N 247.685 2.691 0 40 BFAB Nc1cccc(-c2cccc(CC(=O)O)c2)c1 1257585 WUWAEOOQQHLCRJ-UHFFFAOYSA-N 227.263 2.563 0 40 BFAB CCOc1ccccc1Nc1cc(C)nc(N)n1 1676602 FUYJWJGLOCQSFV-UHFFFAOYSA-N 244.298 2.510 0 40 BFAB CCCCNC(=O)N(C)Cc1ccccc1 1738897 PQDDBLKQASUALH-UHFFFAOYSA-N 220.316 2.628 0 40 BFAB CCCCC(=O)NC(=O)N[C@H](C)c1ccccc1 2224556 LHMDLHSWMVYZJG-LLVKDONJSA-N 248.326 2.764 0 40 BFAB O=C(Nc1cc(F)ccc1F)c1ccccn1 3455959 SKEMJRYVMQAAND-UHFFFAOYSA-N 234.205 2.612 0 40 BFAB Cc1cc(Cl)c(C(C)C)cc1OCC(N)=O 6127714 XBGXIEPUCFRNLZ-UHFFFAOYSA-N 241.718 2.636 0 40 BFAB CCCCCC(=O)Nc1cc(N)ccc1OC 8703552 LTCVEROHOYCYRL-UHFFFAOYSA-N 236.315 2.796 0 40 BFAB C[C@H](OC(=O)c1cccn1C)c1ccccc1 9057959 CTYLXWOOPDQEED-NSHDSACASA-N 229.279 2.943 0 40 BFAB CCCCNC(=O)[C@H](C)Oc1cc(C)cc(C)c1 11637125 BLOKEYVXJICWMG-ZDUSSCGKSA-N 249.354 2.987 0 40 BFAB COc1ccccc1[C@H](C)NC(=O)C1CCC1 13020927 ZGCLJAPPVUBLQS-JTQLQIEISA-N 233.311 2.673 0 40 BFAB Cc1ccccc1C(=O)NCc1ccsc1 13698068 VVPCWHPVWHWTRW-UHFFFAOYSA-N 231.320 2.987 0 40 BFAB O=C(NC1CC1)C1(c2ccc(Cl)cc2)CC1 17120962 CPJARSQTNKFJAL-UHFFFAOYSA-N 235.714 2.650 0 40 BFAB CCOCCCN[C@H](C)c1ccccc1 19962888 ORHHWAQDSMBFEK-GFCCVEGCSA-N 207.317 2.764 0 40 BFAB COC(=O)c1cc2ccccc2c(Cl)n1 20281555 KJBHVFGDDKSFGN-UHFFFAOYSA-N 221.643 2.675 0 40 BFAB in-vitro O=C(O)c1cc(F)ccc1C(=O)c1ccccc1 20357719 SAUMKHGIHVGNOW-UHFFFAOYSA-N 244.221 2.755 0 40 BFAB COC(=O)/C(Br)=C/c1ccccc1 33845908 UDGLSFZOLJZPTH-CLFYSBASSA-N 241.084 2.595 0 40 BFAB CN(CC(=O)O)Cc1ccc(Cl)c(Cl)c1 35084286 WYUQIYLUINSBAD-UHFFFAOYSA-N 248.109 2.510 0 40 BFAB CCCC[C@H](CC)CNC1CCOCC1 36304239 QCPSEEOCFMSSGA-LBPRGKRZSA-N 213.365 2.971 0 40 BFAB O[C@H]1CCCC[C@H]1Oc1ccc(F)cc1F 37696130 MYJIDMDCPYJRAE-CMPLNLGQSA-N 228.238 2.647 0 40 BFAB Cc1cc(SCc2cc(C)on2)nc(C)n1 40081858 AXKNNYUHBFRFDZ-UHFFFAOYSA-N 235.312 2.682 0 40 BFAB CC[C@@H]1CCC(=O)[C@H](C(=O)C(C)(C)C)C1 43651535 QVYXQKLUNDWERF-NXEZZACHSA-N 210.317 2.997 0 40 BFAB Cc1nc(CSc2nc3ccccc3o2)no1 48387943 OIPLNJQUOFOWFP-UHFFFAOYSA-N 247.279 2.812 0 40 BFAB C[C@@H]1c2ccsc2CCN1C(=O)NC1CC1 48844605 WPVVUCURMCFCPA-MRVPVSSYSA-N 236.340 2.539 0 40 BFAB CC(C)c1ccc(C2(O)CCN(C)CC2)cc1 55241249 PKYYNIQNXBJSTA-UHFFFAOYSA-N 233.355 2.723 0 40 BFAB Cc1cc(N)ccc1N1CCCCCC1 57381057 YLEQNDCOLFPMQV-UHFFFAOYSA-N 204.317 2.958 0 40 BFAB Nc1ccccc1C[C@@H](C(=O)O)c1ccccc1 58001426 PWKKZTSDHKGNOR-CYBMUJFWSA-N 241.290 2.680 0 40 BFAB OCC[C@H](c1ccccc1)C(F)(F)F 59078176 PHGDLNUUBPOOAV-SECBINFHSA-N 204.191 2.715 0 40 BFAB CCOc1ccccc1C(=O)N[C@@H](C)C(C)C 60626545 LMXNKHURGRBNFQ-NSHDSACASA-N 235.327 2.860 0 40 BFAB c1cc(C2CCNCC2)c2ccncc2c1 61123640 RWKZEWOPMRXZBH-UHFFFAOYSA-N 212.296 2.702 0 40 BFAB in-vitro Brc1cnc2n1CCCCCC2 67802426 CAZAWBMVQUOTOG-UHFFFAOYSA-N 229.121 2.762 0 40 BFAB CNc1ccc([C@H]2CCCN2C(C)C)cn1 72212475 FSNBEBIPIJIWLY-GFCCVEGCSA-N 219.332 2.669 0 40 BFAB CNc1ncc([C@H]2CCCCN2C(C)=O)cc1C 72219015 SPKAHSAUZYGOCJ-CYBMUJFWSA-N 247.342 2.505 0 40 BFAB CC(C)Cn1cc(-c2nccc(Cl)n2)cn1 72226233 BXXANZDTWJHNBJ-UHFFFAOYSA-N 236.706 2.650 0 40 BFAB CNc1ncc2c(n1)-c1ccccc1SC2 72266626 NYLVQAFTSUVCAW-UHFFFAOYSA-N 229.308 2.791 0 40 BFAB in-vitro Cc1cc(C)c(C(=O)NC[C@H]2CCCO2)cc1C 74951573 ZOBMRESSYIYDGK-CYBMUJFWSA-N 247.338 2.521 0 40 BFAB CCN(c1cccc(Cl)c1)[C@H](C)C(=O)O 145113967 ORIMUKIVLUZOJA-MRVPVSSYSA-N 227.691 2.639 0 40 BFAB CCc1[nH]c2cc(OC)ccc2c(=O)c1CC 685938566 OUCMXIXLRJIXMA-UHFFFAOYSA-N 231.295 2.662 0 40 BFAB N[C@H](Cc1ccccc1)c1ccc2c(c1)OCO2 1667163 XXUGGVBVWGFUDI-CYBMUJFWSA-N 241.290 2.658 0 40 BFAB CCCCCn1cnc2c(=S)[nH]cnc21 1690397 KMGUUVNVRUWDQO-UHFFFAOYSA-N 222.317 2.679 0 40 BFAB O=C(O)COc1ccccc1Cc1ccccc1 2390401 FNKKMCAPBFWQTQ-UHFFFAOYSA-N 242.274 2.741 0 40 BFAB CCCN[C@@H](C)C(=O)Nc1cccc(Cl)c1 3296811 SOCWAALQOSBVIF-VIFPVBQESA-N 240.734 2.667 0 40 BFAB in-vitro CC(=O)Nc1nc2c(C)c(C)ccc2s1 4275345 LUQNWNTXHDZPRD-UHFFFAOYSA-N 220.297 2.872 0 40 BFAB C[C@H]1CC(=O)[C@@H](C)C[P@@]1(=O)c1ccccc1 5003899 QEYLIZRHTPFMRZ-MMPTUQATSA-N 236.251 2.672 0 40 BFAB Clc1ccc(CNc2ncccn2)cc1 5262098 GXHXQTORZZKVMA-UHFFFAOYSA-N 219.675 2.742 0 40 BFAB CNCCCNCc1ccc(C(C)C)cc1 7009338 RHGCYDXRKLBSDG-UHFFFAOYSA-N 220.360 2.509 0 40 BFAB C[C@H]1C[C@H]1C(=O)Nc1ccccc1OC(F)F 9726553 FBVJRBSAWHBLCJ-JGVFFNPUSA-N 241.237 2.883 0 40 BFAB C[C@@H]1C[C@H]1C(=O)NCc1nc2ccccc2s1 13012710 XOOHHYBKKRISRR-RKDXNWHRSA-N 246.335 2.569 0 40 BFAB CN(C)c1ccc(C(=O)O)cc1C(C)(C)C 19801562 LRDOKTIJCLUARI-UHFFFAOYSA-N 221.300 2.748 0 40 BFAB CCN(c1ncccc1C(=O)O)C1CCCCC1 19845011 ZGPLSHBOQNETHB-UHFFFAOYSA-N 248.326 2.939 0 40 BFAB COc1ccc(C(=O)O)nc1-c1ccc(F)cc1 19872943 WBNCEBCGHKCDRE-UHFFFAOYSA-N 247.225 2.595 0 40 BFAB CCSc1nc(-c2cccc(C)c2)n[nH]1 19927500 RSHSFUKFFVCPLN-UHFFFAOYSA-N 219.313 2.892 0 40 BFAB C[C@@H](NC(=O)[C@H]1CC=CCC1)c1ccco1 25260704 CJUPUXDQSVWOJO-MNOVXSKESA-N 219.284 2.813 0 40 BFAB Cc1cc(NC(=O)CCC2CCCC2)n(C)n1 27934083 ZPORBKDKURKXTH-UHFFFAOYSA-N 235.331 2.637 0 40 BFAB CCCc1nnc(NC(=O)C(CC)CC)s1 28284537 SHARSAGZDCQULF-UHFFFAOYSA-N 241.360 2.865 0 40 BFAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NC(C)C 30754463 QUEBDPHIPPOOPZ-CYBMUJFWSA-N 249.354 2.985 0 40 BFAB NCCCCOc1ccc(Br)cc1 35726329 WCTVWJMQGCYIIV-UHFFFAOYSA-N 244.132 2.567 0 40 BFAB CC1CCC(NC(=O)CC[C@@H]2CCCO2)CC1 36397011 JZFRBHGURGZSCB-BPCQOVAHSA-N 239.359 2.641 0 40 BFAB C[C@@H]1CCCN(Cc2ccc(C(=O)O)s2)C1 36644455 WKWQQYZEOKAZRA-SECBINFHSA-N 239.340 2.678 0 40 BFAB CN(C)[C@@H](C(=O)O)c1cccc(Cl)c1Cl 37358228 ZFEVHXHYMHYTBG-SECBINFHSA-N 248.109 2.681 0 40 BFAB Brc1cnc2nc(C3CC3)[nH]c2c1 43461073 FMTJUZOGRRRITH-UHFFFAOYSA-N 238.088 2.598 0 40 BFAB O=c1[nH]c2ccc3ccccc3c2s1 45238006 VKMBJEVQTGGMGN-UHFFFAOYSA-N 201.250 2.743 0 40 BFAB O=C(NCC1(c2ccccc2)CC1)N1CCCC1 45299433 QLRSLJZYRWYGKZ-UHFFFAOYSA-N 244.338 2.524 0 40 BFAB CNC[C@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 54588454 UIVWDSBDSZGDDA-KOLCDFICSA-N 245.244 2.908 0 40 BFAB Cc1ccc(O[C@@H](C)C(=O)N[C@H](C)C(C)C)cc1 57160049 MMPBLLSLWDBPHS-OLZOCXBDSA-N 249.354 2.923 0 40 BFAB CC(C)c1ccc2c(c1)CC[C@H]2C(=O)O 57492268 ZVROSPVIIXITFH-GFCCVEGCSA-N 204.269 2.924 0 40 BFAB O=C1CCc2cccc(C(F)(F)F)c2N1 62323024 UMLAYJZDWIVQFE-UHFFFAOYSA-N 215.174 2.590 0 40 BFAB Cc1cc([C@](C)(O)CNc2ccccn2)c(C)o1 78308416 WIEXCXCKCFNEDV-CQSZACIVSA-N 246.310 2.611 0 40 BFAB C[C@H](Sc1ncc[nH]1)C(=O)Nc1ccccc1 78991589 BACZJWMNGMEUCQ-VIFPVBQESA-N 247.323 2.529 0 40 BFAB C[C@@H]1CCCCC[C@@H]1Nc1ncccn1 83949615 ULKLEJFHKDMDOU-MNOVXSKESA-N 205.305 2.857 0 40 BFAB CCC[C@@](C)(O)c1ccc(OC)cc1OC 86336503 ZEBDLIPVROCQKD-CYBMUJFWSA-N 224.300 2.711 0 40 BFAB CC[C@H](N)COCc1cccc(OC(F)F)c1 89263501 VEXWQRUHUZQBBS-JTQLQIEISA-N 245.269 2.542 0 40 BFAB CC(C)N1CC[C@H](SC2CCCC2)C1=O 89870028 CKADDYJYAYCJKA-NSHDSACASA-N 227.373 2.672 0 40 BFAB CC1=CCN(C(=O)c2ccsc2)CC1 89919767 WMQPEFBWGBWFPE-UHFFFAOYSA-N 207.298 2.540 0 40 BFAB FC(F)Oc1ccc(C(F)(F)F)cn1 91362277 IMVNNCWNERPLNP-UHFFFAOYSA-N 213.105 2.702 0 40 BFAB Cc1cc(Br)cc2cc(CO)[nH]c12 95095258 MZOLNDHAWVEZKE-UHFFFAOYSA-N 240.100 2.731 0 40 BFAB CC(C)c1nnc(NCc2ccsc2)o1 95990030 LCUQNULICHMYFS-UHFFFAOYSA-N 223.301 2.867 0 40 BFAB Cc1nc(CN[C@@H](C)c2ccc(C)c(F)c2)no1 96492257 OAMLDNGBROMOBY-VIFPVBQESA-N 249.289 2.676 0 40 BFAB CO[C@@H](C)c1nc(N)cc(CCC2CCCC2)n1 96529234 SSXXYMIRTVCDPI-JTQLQIEISA-N 249.358 2.889 0 40 BFAB CCCC(=O)N[C@@H](C)[C@H]1C[C@@H]2CC[C@@H]1C2 102180531 ZXTNXYYKULGWJB-IRCOFANPSA-N 209.333 2.727 0 40 BFAB CC(C)c1nn(-c2ccccc2)cc1N 122369490 BAQOIGSITGTNBG-UHFFFAOYSA-N 201.273 2.578 0 40 BFAB FC(F)n1nccc1CNCc1cccs1 256052276 MQQHWNIZXPTMDP-UHFFFAOYSA-N 243.282 2.630 0 40 BFAB N#Cc1ccc(C(=O)C2CCC2)cc1F 379994378 ZIPSRUSIHMDZDB-UHFFFAOYSA-N 203.216 2.680 0 40 BFAB FC(F)(F)c1ccc(OC[C@@H]2CCCO2)nc1 585654129 DBRAVVJLMACSEV-VIFPVBQESA-N 247.216 2.658 0 40 BFAB C[C@@H]1CCCCN1C(=O)c1ccc(F)cc1 29778 XUICTSGWQFABFN-SNVBAGLBSA-N 221.275 2.840 0 40 BFAB CCOC(=O)c1[nH]c2ccc(C(C)=O)cc2c1C 76004 URNPXIOXPJUQHK-UHFFFAOYSA-N 245.278 2.856 0 40 BFAB CC(C)c1ccc(NC(=O)c2cnn(C)c2)cc1 375892 NYOLAGRTWYGZBF-UHFFFAOYSA-N 243.310 2.796 0 40 BFAB Clc1ccc2nsnc2c1Cl 1737171 KIVCXURCZYKYDK-UHFFFAOYSA-N 205.069 2.998 0 40 BFAB Cc1cc(C)c([C@H]2C=CS(=O)(=O)C2)c(C)c1 2343973 PPVAVNCJJBIQFD-LBPRGKRZSA-N 236.336 2.638 0 40 BFAB CC[C@@H]1CN(Cc2ccccc2)C[C@@]1(C)C(=O)O 4203351 OCPFMYCAURBSJX-UKRRQHHQSA-N 247.338 2.619 0 40 BFAB Cc1nn(-c2ccccc2)c(C)c1N=O 4684227 SCHFUNOUOHIHSX-UHFFFAOYSA-N 201.229 2.887 0 40 BFAB CCCCCNC(=O)c1ccc[nH]c1=S 6756508 MDEAINCIALUBQO-UHFFFAOYSA-N 224.329 2.664 0 40 BFAB CC(C)CC(=O)Nc1nnc(C(C)(C)C)s1 8766465 JYSKKIIGUQYYFA-UHFFFAOYSA-N 241.360 2.820 0 40 BFAB CCc1n[nH]c(SCc2cccc(C)c2)n1 11990827 CQDBXTBUWRTKSB-UHFFFAOYSA-N 233.340 2.968 0 40 BFAB Cc1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1F 15084704 COJLTFCILGNGNW-WCBMZHEXSA-N 207.248 2.729 0 40 BFAB NCc1cc(-c2ccc(Cl)c(Cl)c2)[nH]n1 20270452 WUGHKVPAKYAUEH-UHFFFAOYSA-N 242.109 2.842 0 40 BFAB CCOc1ccc([C@@H]2C[C@@H]2[C@@H](C)O)cc1 20392450 ADGXOVIRURHYPI-WQAKAFBOSA-N 206.285 2.570 0 40 BFAB Cc1ccc([C@H](O)c2ccncc2)cc1C 31773367 AYUKCBQGSQHISM-CQSZACIVSA-N 213.280 2.780 0 40 BFAB COC(=O)Cc1c(C)c(C)cc(C)c1C 34079595 ZOTMTDBXDYOONE-UHFFFAOYSA-N 206.285 2.636 0 40 BFAB COc1ccc2c(C)c(C(=O)O)sc2c1 34120121 LMHFVTXBQQYWQO-UHFFFAOYSA-N 222.265 2.917 0 40 BFAB in-vitro COc1ccc(C)cc1CNCC(C)C 35161806 UXZTWSBEJUMPRJ-UHFFFAOYSA-N 207.317 2.749 0 40 BFAB Cc1nc(N)sc1Cc1ccc(F)cc1 35250914 WVDURYWVTONNHM-UHFFFAOYSA-N 222.288 2.764 0 40 BFAB in-vitro CC(C)[C@@H](NC(=O)c1cc[nH]n1)c1cccs1 40513598 IIRDVOUWECWMNN-LLVKDONJSA-N 249.339 2.598 0 40 BFAB O=C(CNC1CCCC1)c1ccc(F)cc1 41612193 SWPVVUATDBEMPM-UHFFFAOYSA-N 221.275 2.541 0 40 BFAB CCCc1noc(CN(C)[C@H](C)CC(C)C)n1 45823328 YOZXGDPFLHVCNG-LLVKDONJSA-N 239.363 2.889 0 40 BFAB Cc1ccoc1C(=O)N1C[C@@H](C)C[C@@H](C)C1 48354107 DEFAOUGAKFMTBM-AOOOYVTPSA-N 221.300 2.706 0 40 BFAB CCOc1c(Br)cccc1C=O 48796309 HYMCRTCUKJLPLB-UHFFFAOYSA-N 229.073 2.660 0 40 BFAB C[C@@H]1CC(C)(C)NC2=NC(C)(C)CC[C@H]21 57990120 UIZGCTCJFKGHAI-ZJUUUORDSA-N 208.349 2.982 0 40 BFAB CC(=O)Nc1cc(F)ccc1N1CCCCC1 69665882 MEYJSDIAORPLCT-UHFFFAOYSA-N 236.290 2.774 0 40 BFAB CCN1CCC[C@@H]1c1cccnc1Cl 72211490 OCBINOITUZXCET-SNVBAGLBSA-N 210.708 2.892 0 40 BFAB C[C@H](c1nc2ccc(F)cc2[nH]1)N1CCCC1 74322444 PSZXPYRSVPWCAG-SECBINFHSA-N 233.290 2.859 0 40 BFAB O=C(Nc1cnoc1)c1nc2ccccc2s1 75170856 DTBDUQBNVMVIPD-UHFFFAOYSA-N 245.263 2.537 0 40 BFAB C[C@H](O)Cc1cccc(F)c1Br 78210668 APWVEMXECIDNLR-LURJTMIESA-N 233.080 2.512 0 40 BFAB in-vitro NCc1cn(-c2cc(Cl)ccc2Cl)cn1 82550306 UJISONJQZVGWOI-UHFFFAOYSA-N 242.109 2.638 0 40 BFAB C[C@H](C(=O)O)c1ccc(Br)cc1F 84567024 JIGOFQURBSJRNM-YFKPBYRVSA-N 247.063 2.776 0 40 BFAB COc1ccc(Cn2nccc2Cl)cc1 95094219 UCURUBOWDLGERR-UHFFFAOYSA-N 222.675 2.593 0 40 BFAB CCCC[C@@H](CC)COCCN(C)C 96180985 WRQNTWCWUXLGFF-GFCCVEGCSA-N 201.354 2.781 0 40 BFAB CCc1ccc([C@H](C)N[C@@]2(C)CCOC2)o1 97038543 VVSXUVAAYMXTJK-GWCFXTLKSA-N 223.316 2.672 0 40 BFAB CCOC(=O)CSCc1cccc(F)c1 98070379 YYNJCYBNKMWKOO-UHFFFAOYSA-N 228.288 2.622 0 40 BFAB C/C(=C\C(=O)N(C)C)CCc1ccccc1 102081447 JMYJYLIFJJXYAJ-VAWYXSNFSA-N 217.312 2.654 0 40 BFAB CCOC(=O)[C@@H]1[C@@H]2C[C@@H]3C[C@H](C3(C)C)[C@@]21C 104051763 GYYMNRWFIHTKHO-AHMQBVQWSA-N 222.328 2.868 0 40 BFAB CCc1cc([C@H]2CCNC(=O)C2)ccc1Cl 199779367 XMNZPTIJSKVACG-NSHDSACASA-N 237.730 2.896 0 40 BFAB CCCCc1ccc(C(=O)O)n1CCC 226026516 VMVPULJHYMBTQN-UHFFFAOYSA-N 209.289 2.939 0 40 BFAB COC(=O)c1ccc2c(c1)nc1n2[C@H](C)CCC1 226251855 VSWBAKXGVIFVJI-SECBINFHSA-N 244.294 2.720 0 40 BFAB FC(F)c1cc(N[C@H]2CC=CCC2)ncn1 670893182 UQYHABGOKYHDPL-QMMMGPOBSA-N 225.242 2.935 0 40 BFAB Fc1ccc(-c2csc3[n+]2CCS3)cc1 351960 BQJJHBGYVBPLIR-UHFFFAOYSA-N 238.332 2.947 0 40 BFAB CC(C)NP(=O)(OC(C)C)OC(C)C 2255108 VBLLIPMGLLWKCV-UHFFFAOYSA-N 223.253 2.943 0 40 BFAB CCCCC(=O)N1CCc2ccccc2C1 6039645 VSBSQILDJVDKMW-UHFFFAOYSA-N 217.312 2.762 0 40 BFAB Cc1cccc(NC(=O)CC2CCCC2)n1 6508736 HZRVFPXCUOKXBS-UHFFFAOYSA-N 218.300 2.909 0 40 BFAB CCC(C)(C)c1ccc(O[C@H](C)C(N)=O)cc1 7813815 GDSUKLKJVCFDGH-SNVBAGLBSA-N 235.327 2.627 0 40 BFAB Cc1cc(C)cc([C@@H](O)C(F)(F)F)c1 9477690 DQTXEAKXIGCGEJ-SECBINFHSA-N 204.191 2.899 0 40 BFAB in-vitro C[C@H](NC(=O)C1CCCCC1)c1cccnc1 12536707 NJFWVJNEKNXEMH-NSHDSACASA-N 232.327 2.839 0 40 BFAB Cc1ccc(NC(=O)Nc2cnccn2)c(C)c1 15934248 LBFAIULKJHQNAV-UHFFFAOYSA-N 242.282 2.737 0 40 BFAB CCc1ccccc1-c1nc2c(cnn2C)[nH]1 19224069 GIYOMKNAFWIDGE-UHFFFAOYSA-N 226.283 2.526 0 40 BFAB COc1ccc(COc2ccccc2CO)cc1 20032783 RAACNNWSRKXLDS-UHFFFAOYSA-N 244.290 2.767 0 40 BFAB Brc1cnc2nc3ccccc3n2c1 20281811 VEXDSLZOKLRXIT-UHFFFAOYSA-N 248.083 2.645 0 40 BFAB in-vitro O=C1C[C@H](c2ccccc2Cl)c2c[nH]nc2N1 20734327 WZLWEPLDFUVQRB-MRVPVSSYSA-N 247.685 2.537 0 40 BFAB Cc1ccc([C@H](C)NC(=O)c2ccoc2)o1 23306470 VXYOIACXSYCTNN-VIFPVBQESA-N 219.240 2.672 0 40 BFAB Cc1nn(-c2ccccc2Cl)cc1C=O 37295206 NVGKQCRYFHREOR-UHFFFAOYSA-N 220.659 2.647 0 40 BFAB N[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 37381477 WDWZYVCJRRSQDE-IUCAKERBSA-N 201.191 2.520 0 40 BFAB CC(=O)c1ccc(-n2cnc(C)c2)c(F)c1 38540416 YNGNQAPHYIQGAV-UHFFFAOYSA-N 218.231 2.522 0 40 BFAB CC(C)(C)CNC(=O)c1ccc(F)cc1 40494835 YSNSRLSVFDOZJR-UHFFFAOYSA-N 209.264 2.602 0 40 BFAB Cc1cc(C)c2ccc(NC(=O)C(C)C)nc2n1 40818261 JCDSMCBWSLQACQ-UHFFFAOYSA-N 243.310 2.841 0 40 BFAB Cc1cc(C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)no1 41780966 GCJYBHPTKXASRM-INTQDDNPSA-N 236.315 2.538 0 40 BFAB CCOc1ccccc1CCC(=O)NCC(C)C 44869093 RJVQGWUARSUXLT-UHFFFAOYSA-N 249.354 2.790 0 40 BFAB C[C@H](NC(=O)OCC(F)(F)F)c1ccco1 44980546 IDUXJFCMFFQLPY-LURJTMIESA-N 237.177 2.629 0 40 BFAB CC(C)(C)OC(=O)N1CCc2c(O)cccc21 71614706 RGJNBULAOCYWSF-UHFFFAOYSA-N 235.283 2.690 0 40 BFAB O=C(Cc1ccccc1F)N[C@H]1C[C@H]2CC[C@@H]1C2 71780978 LNVLCHAPFHZPGA-SUHUHFCYSA-N 247.313 2.673 0 40 BFAB Cc1ccccc1[C@H]1C[C@H](C)N(CCCO)C1 71915686 ZTKHETCXUQMXMG-KBPBESRZSA-N 233.355 2.555 0 40 BFAB Cc1cc(Oc2ccccc2)ncc1C=O 72223143 HCHNZKYXOHWQGY-UHFFFAOYSA-N 213.236 2.995 0 40 BFAB Cc1cc(SC(C)(C)C)ncc1C(=O)O 72223857 JLOKPDRRVOUVCM-UHFFFAOYSA-N 225.313 2.979 0 40 BFAB Cc1cc(Cl)n(Cc2ccccc2)n1 85018600 FQZVIUSXRWPHLV-UHFFFAOYSA-N 206.676 2.893 0 40 BFAB Cc1cc(F)cc(NCc2cncnc2)c1 85729590 DXVLIWMURVPFBW-UHFFFAOYSA-N 217.247 2.536 0 40 BFAB O=C(C1CCCC1)N1CC[C@H]2CCCC[C@@H]21 89818679 XQYAVRQKNONDLS-YPMHNXCESA-N 221.344 2.968 0 40 BFAB Cc1nc(N)sc1-c1ccnc(C(C)C)n1 95629747 GTOWEFWMMZIDFL-UHFFFAOYSA-N 234.328 2.614 0 40 BFAB COCCSCc1nc2c(F)cccc2[nH]1 95962403 WQSMLZCIVVSQRL-UHFFFAOYSA-N 240.303 2.582 0 40 BFAB Oc1cc(-c2ccco2)nn1-c1ccccc1 100496505 LJWKEOLULDABCT-UHFFFAOYSA-N 226.235 2.838 0 40 BFAB Cc1ccc(C2=CSc3nnc(C)n3N2)cc1 102561473 HTNJKLDJKKDKAQ-UHFFFAOYSA-N 244.323 2.543 0 40 BFAB CC(C)(C)c1nccc(N[C@H]2C[C@H]3CC[C@H]2O3)n1 108104786 KUZVTFJKIVNGIY-OUAUKWLOSA-N 247.342 2.506 0 40 BFAB CCCCC[S@@](=O)c1ccc(C)cn1 191183533 OKLSCJJWLCVDKG-CQSZACIVSA-N 211.330 2.688 0 40 BFAB Cc1c(F)cccc1-c1n[nH]c(=S)n1C 228928198 MZSXLSBAZRHXBM-UHFFFAOYSA-N 223.276 2.592 0 40 BFAB CCCCCCNCc1c(C)cnn1CC 256052920 PEIKGQAMZGQBJU-UHFFFAOYSA-N 223.364 2.881 0 40 BFAB CCOC(=O)CCCC(=O)c1ccc(C)s1 382673346 GKQFZSMUZMXOEW-UHFFFAOYSA-N 240.324 2.973 0 40 BFAB CSc1cncc(Br)c1C 642814705 SCGLFYMPCCEMDD-UHFFFAOYSA-N 218.119 2.874 0 40 BFAB Fc1c[nH]nc1-c1ccc(Br)cc1 1535641403 BKPMVPDFMFVTHM-UHFFFAOYSA-N 241.063 2.978 0 40 BFAB COC(=O)[C@@H]1C[C@H]1c1cccc(C)c1C 1857793742 AVSHWDGRUJPLJZ-NWDGAFQWSA-N 204.269 2.580 0 40 BFAB CCOC(=O)[C@H]1C[C@@H]1c1cc(F)cc(F)c1 1857793806 ZNIMSTRTIQDVHW-MNOVXSKESA-N 226.222 2.631 0 40 BFAB CC[C@@H](N)C(O)(c1ccccc1)c1ccccc1 2048328 JRNWOPXJUQQWDO-OAHLLOKOSA-N 241.334 2.660 0 40 BFAB Cc1ccc(C(=O)OCC(=O)C(C)(C)C)cc1 3228072 DTKKFXFWMINJRJ-UHFFFAOYSA-N 234.295 2.767 0 40 BFAB CCC[C@@H](O)[C@](O)(CC)C1CCCCC1 3845080 IAHRBSOAUDQABP-OLZOCXBDSA-N 214.349 2.869 0 40 BFAB biogenic O=C1CCc2ccc(-c3ccc(CO)cc3)cc21 3852198 SSMRFVZQRADOLR-UHFFFAOYSA-N 238.286 2.975 0 40 BFAB biogenic COc1ccccc1[S@@](=O)Nc1ccccc1 6424926 OTXQHEDKVIDYBR-KRWDZBQOSA-N 247.319 2.830 0 40 BFAB COc1ccc(NC(=O)CC(C)(C)C)c(N)c1 8703575 FFBDEUVXRZDYBY-UHFFFAOYSA-N 236.315 2.652 0 40 BFAB Fc1ccc(O[C@@H]2CCCNC2)c(Cl)c1 14631628 RXOAMMSCBMWHSC-SECBINFHSA-N 229.682 2.610 0 40 BFAB Cc1cccc(OCC[C@H]2CCCNC2)c1 14632366 YVSLKRNHMYUONI-CYBMUJFWSA-N 219.328 2.764 0 40 BFAB Nc1cc(-c2cc(Cl)cc(Cl)c2)[nH]n1 19440696 ARQPOUUYHJOGFQ-UHFFFAOYSA-N 228.082 2.966 0 40 BFAB in-vitro NCc1nc2c(s1)C[C@H](c1ccccc1)CC2 19817739 LWNFUFSIVPUPKJ-LLVKDONJSA-N 244.363 2.874 0 40 BFAB in-vitro CC[C@@H](Oc1cccc(C)c1C)C(=O)NC1CC1 20104459 TUQFDABGCWEIAD-CYBMUJFWSA-N 247.338 2.739 0 40 BFAB CCN(C(=O)C1CCC1)c1ccccc1 32714734 MRIAUKUPYANJBD-UHFFFAOYSA-N 203.285 2.840 0 40 BFAB Clc1cncc(N2CCc3ccccc3C2)n1 34182827 PBCVOCWGHNZTFT-UHFFFAOYSA-N 245.713 2.693 0 40 BFAB O=C(O)c1csc(-c2ccc(F)c(F)c2)n1 36888301 GBWFVHNWUPDSPM-UHFFFAOYSA-N 241.218 2.787 0 40 BFAB in-vitro CON(C)C(=O)c1oc2c(F)cccc2c1C 40461286 HXDHZWRWCPNVIS-UHFFFAOYSA-N 237.230 2.514 0 40 BFAB CC(C)c1noc(CN2C[C@@H](C)C[C@H](C)C2)n1 40489569 QNDWTSIRDGQICF-QWRGUYRKSA-N 237.347 2.671 0 40 BFAB Fc1ccc(S[C@@H]2CCCNC2)c(F)c1 43501671 JFLUUGBXSOSSKT-SECBINFHSA-N 229.295 2.809 0 40 BFAB in-vitro CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N(C)C 44948493 VOSHVXNTJMPFIG-ZDUSSCGKSA-N 235.327 2.549 0 40 BFAB CC(=O)N[C@H](C)Cc1ccc2ccccc2c1 65566197 KPODCKYIWDFSMT-LLVKDONJSA-N 227.307 2.907 0 40 BFAB Cc1ccc(N2Cc3ccccc3C2=O)c(N)c1 70461122 AGGRHNDSRKERKA-UHFFFAOYSA-N 238.290 2.738 0 40 BFAB Nc1cc(-c2cc(Cl)ccc2F)ncn1 82545052 BARVGLRUHQTCAB-UHFFFAOYSA-N 223.638 2.518 0 40 BFAB Cc1sc(Br)cc1C(=O)O 83305309 WYEYXOWAHAJXHE-UHFFFAOYSA-N 221.075 2.517 0 40 BFAB in-vitro Cc1ccc([C@@H](C)C(=O)O)cc1Br 84551549 ZFZREIOXDNWEMC-SSDOTTSWSA-N 243.100 2.946 0 40 BFAB CCCC[C@H](CC)CNC(=O)NC1CC1 84742949 CRIWDJLJTGILCI-JTQLQIEISA-N 212.337 2.664 0 40 BFAB CCCCN(C)C[C@@H]1Cc2ccccc2N1 87655844 XTQIPZSUUCFLPD-ZDUSSCGKSA-N 218.344 2.755 0 40 BFAB O=C(NCCc1ccoc1)Nc1ccc(F)cc1 90607453 RQOIUXBHFZEFKZ-UHFFFAOYSA-N 248.257 2.783 0 40 BFAB C[C@H](CSC(C)(C)C)N[C@@H]1CCCC[C@@H]1O 95967962 WJQZPJXXFDJFPX-UTUOFQBUSA-N 245.432 2.800 0 40 BFAB CC1(C)C[C@@H](N[C@@H]2CCOC2)c2ccccc21 95983721 UVCYJXMOPGBZSQ-BXUZGUMPSA-N 231.339 2.788 0 40 BFAB Clc1cc(Br)nc(Cl)n1 96135608 DQKJOXAJZKPHOH-UHFFFAOYSA-N 227.876 2.546 0 40 BFAB Cc1cccc([C@@H](C)N[C@]2(C)CCOC2)c1 97038531 OCJPSDZNTNAWHW-TZMCWYRMSA-N 219.328 2.825 0 40 BFAB O=C(Nc1ccsc1)[C@@H]1C[C@H]2C=C[C@H]1C2 102729146 NSDHIANDIFKODO-ATZCPNFKSA-N 219.309 2.899 0 40 BFAB CCOC(=O)c1nc2cc(C)c(C)cc2nc1C 118828287 RMVHKBHWGVICPX-UHFFFAOYSA-N 244.294 2.732 0 40 BFAB CC[C@@H](C)[C@@H](C)Nc1ccc(C)c(C(N)=O)c1 183118534 VILPLOQHVAMABN-MWLCHTKSSA-N 234.343 2.940 0 40 BFAB O[C@H]1CCC[C@H]1Nc1ccc2ccccc2n1 195575373 IQAYUXVPACNULT-OLZOCXBDSA-N 228.295 2.560 0 40 BFAB CC(=O)OCC(=O)c1ccc(F)c2ccccc12 202096033 POLCXJKBOAFURB-UHFFFAOYSA-N 246.237 2.725 0 40 BFAB O=C1Nc2c(Br)cccc2[C@H]2C[C@@H]12 225812390 VJSSNFSNCVUVLJ-RNFRBKRXSA-N 238.084 2.505 0 40 BFAB O=C(c1ccco1)N1CCC(=C2CC2)CC1 238922085 UCQZZERKNVVLNK-UHFFFAOYSA-N 217.268 2.606 0 40 BFAB O=C(O)Cc1ccc(F)c(C(F)(F)F)c1F 247406121 ONCMRPXXYZLKBL-UHFFFAOYSA-N 240.127 2.611 0 40 BFAB CC[C@H](C)n1ccc(NCc2cn(C)nc2C)n1 256054491 WNZJWCCDGCHSHH-JTQLQIEISA-N 247.346 2.508 0 40 BFAB COC(F)(F)C(F)(F)c1ccc(C=O)cc1 1535543902 YOINXIXPJMEACS-UHFFFAOYSA-N 236.164 2.830 0 40 BFAB Nc1ccc(-c2cc(C(F)(F)F)on2)cc1 1536222014 VMEYSHHCBDLOMN-UHFFFAOYSA-N 228.173 2.943 0 40 BFAB O=C1NC2(CCCCCC2)Oc2ccccc21 261924 FHEGZMBTBNTEFE-UHFFFAOYSA-N 231.295 2.859 0 40 BFAB COc1ccc(/C=C/C(=O)NC2CCCC2)cc1 1466488 DPXMBKNTSYJSCJ-DHZHZOJOSA-N 245.322 2.767 0 40 BFAB Cc1ccc([C@H]2N[C@H]2c2ccccn2)cc1 1611067 JMKOGXJOGSKACY-KGLIPLIRSA-N 210.280 2.776 0 40 BFAB CCn1nccc1C(=O)Nc1ccc(C)cc1C 2760172 VJZWGXJIFRZSIB-UHFFFAOYSA-N 243.310 2.772 0 40 BFAB Cc1cccc(NC(=O)CN2CCC[C@@H](C)C2)c1 3564494 OSFQKMPJRHUIDQ-CYBMUJFWSA-N 246.354 2.665 0 40 BFAB CC(=O)c1ccc(NC2=NC[C@@H](C)S2)cc1 4047797 WENWMLIILWNSTP-MRVPVSSYSA-N 234.324 2.792 0 40 BFAB CCCCNC(=O)N[C@@H](C)c1ccccc1 5783644 AATIUZSOSDLYBV-NSHDSACASA-N 220.316 2.847 0 40 BFAB Clc1ccccc1OCc1c[nH]cn1 8652560 VYBQPFXWNWTAOV-UHFFFAOYSA-N 208.648 2.642 0 40 BFAB COCCCNc1nc(=S)[nH]c2ccccc12 8793979 IKYCQYMIDHAOJG-UHFFFAOYSA-N 249.339 2.741 0 40 BFAB Cc1nc(C2CC2)nc2sc(C(=O)O)c(C)c12 12505640 SQXQFDZJONADBV-UHFFFAOYSA-N 248.307 2.884 0 40 BFAB COc1cccc(NC(=O)c2noc(C)c2C)c1 13641118 AHWBHQJWCDXIHM-UHFFFAOYSA-N 246.266 2.552 0 40 BFAB CC(C)(C)CC(C)(C)NC(=S)NC1CC1 13821345 DYCAVNIHFMRTMJ-UHFFFAOYSA-N 228.405 2.828 0 40 BFAB Clc1cc2c(nn1)-c1ccccc1CC2 15021735 AWCLLRQTVFHVBY-UHFFFAOYSA-N 216.671 2.896 0 40 BFAB CC(C)CNCc1ccc2[nH]ccc2c1 15424163 ZASJJOWCOJGFPD-UHFFFAOYSA-N 202.301 2.914 0 40 BFAB C/C(=C\C(=O)Nc1ccccc1C(C)C)C(=O)O 16973339 PAQBCOXPINHZOJ-CSKARUKUSA-N 247.294 2.779 0 40 BFAB CCC(C)(C)C(=O)Nc1ccc(C)cn1 19897740 PUTAEMBKCDOUSU-UHFFFAOYSA-N 206.289 2.765 0 40 BFAB Nc1ccc(Cl)cc1C(=O)NC1CCCC1 20155234 WSNOHRKQBCFZMT-UHFFFAOYSA-N 238.718 2.595 0 40 BFAB CCn1cc(NCc2cccc(F)c2)c(C)n1 20350502 VBDDYMIVGMGPNX-UHFFFAOYSA-N 233.290 2.963 0 40 BFAB CC(C)(C)NC(=O)C1(c2ccccc2)CC1 23239178 BKOGPSBRAVNCEU-UHFFFAOYSA-N 217.312 2.633 0 40 BFAB CC[C@H](C)NC(=O)c1cccc2ncccc12 27339089 SAJXLQGMDCLCCU-JTQLQIEISA-N 228.295 2.763 0 40 BFAB Cc1csc(CNC(=O)C2CCCCC2)n1 32882224 GDDCJLNVNKBLQB-UHFFFAOYSA-N 238.356 2.648 0 40 BFAB O=C(C1CC1)N1CCSc2ccccc21 32997899 CBJKSPQMAHFSAD-UHFFFAOYSA-N 219.309 2.535 0 40 BFAB Cc1ccc(CN(C)C(=O)C2CCCC2)o1 33024041 YCDCPRJULDFDSA-UHFFFAOYSA-N 221.300 2.737 0 40 BFAB COC(=O)c1sc2cc(Cl)ccc2c1N 34407965 QWXWNCOUMITXRA-UHFFFAOYSA-N 241.699 2.924 0 40 BFAB Cc1cccc(-n2cccc2C(=O)O)c1C 35431451 ZOVXMVHFUTXRJO-UHFFFAOYSA-N 215.252 2.792 0 40 BFAB COc1ccc(Cl)cc1C[C@H]1CCCNC1 36164292 SQNGJXGOLIPIRC-SNVBAGLBSA-N 239.746 2.891 0 40 BFAB in-vitro CC(C)(Oc1ccc(C(F)(F)F)cc1)C(=O)O 39365921 PYSRGMCGNCBXSF-UHFFFAOYSA-N 248.200 2.947 0 40 BFAB O=C(NCCCOC1CCCCC1)C1CCC1 39985536 WWNNODFYKVFODW-UHFFFAOYSA-N 239.359 2.642 0 40 BFAB Cc1ccc(C(=O)c2c(F)cccc2F)cn1 45029094 QRIRZTYPPLCOQJ-UHFFFAOYSA-N 233.217 2.899 0 40 BFAB CCCC(=O)Nc1c(C)cc(N)cc1CC 45888199 ZBEABNXDAQBKEI-UHFFFAOYSA-N 220.316 2.878 0 40 BFAB COc1cccc(NC(=O)NCc2ccoc2)c1 47687839 BOWQXMPVAFSMBP-UHFFFAOYSA-N 246.266 2.610 0 40 BFAB CC(C)c1ccc(-c2cnn(CCO)c2)cc1 49821798 UFHJOXHUCSXZIP-UHFFFAOYSA-N 230.311 2.666 0 40 BFAB CCCCn1c(C)nc2cc(N)ccc21 52852258 SWEOVZYAORMRHN-UHFFFAOYSA-N 203.289 2.727 0 40 BFAB O=C(Cc1ccc(C(F)(F)F)cc1)NC1CC1 53463534 VTGBSQWWTKUXJM-UHFFFAOYSA-N 243.228 2.527 0 40 BFAB Clc1cccc(CNc2ncccn2)c1 54614083 UZQPIAJFIWHWQT-UHFFFAOYSA-N 219.675 2.742 0 40 BFAB CC(=O)[C@H]1C[C@H](c2ccc(Cl)cc2)OC1=O 57529506 GFSYYCBTKYIXJP-GHMZBOCLSA-N 238.670 2.533 0 40 BFAB Fc1cccc2[nH]cc([C@@H]3CCCNC3)c12 62319082 DMXOETPMOXUWRL-SECBINFHSA-N 218.275 2.774 0 40 BFAB Sc1nc2ccccc2nc1N1CCCCC1 70451483 LHEXXSMHLQNULY-UHFFFAOYSA-N 245.351 2.909 0 40 BFAB Cn1c(C(=O)O)c(Cl)c2ccc(F)cc21 72206751 ZFMJHPSBAJMWJH-UHFFFAOYSA-N 227.622 2.669 0 40 BFAB C[C@@H](O)c1ccc(N(C)c2ccccc2)nc1 72225323 GVUUAANPUVMBRX-LLVKDONJSA-N 228.295 2.903 0 40 BFAB CSC[C@@H](C)CNCc1cccc2cn[nH]c12 84024645 WXJMQLWLIJULFO-JTQLQIEISA-N 249.383 2.652 0 40 BFAB CCO[C@@H]1C[C@H](N(C)Cc2ccccn2)C1(C)C 84800735 RLNORTZEIPICSK-UONOGXRCSA-N 248.370 2.717 0 40 BFAB O=C(O)c1c(F)cnc2ccc(Cl)cc12 90493633 HVPOATYGVHTTFQ-UHFFFAOYSA-N 225.606 2.726 0 40 BFAB Cc1nc(N)sc1-c1ccnc([C@H]2C[C@@H]2C)n1 95629764 ZHTPRFXALUPNCR-XPUUQOCRSA-N 246.339 2.614 0 40 BFAB CC1=CCC[C@@H](C)[C@@H]1CNCCc1cnn(C)c1 95986280 PNXSNWCXZZSDDH-UKRRQHHQSA-N 247.386 2.545 0 40 BFAB O[C@@H]1c2ccccc2[C@H](O)[C@H]2[C@@H]1[C@H]1C=C[C@H]2CC1 100516559 CXKDRWRWLKDGTN-IOPPYRCBSA-N 242.318 2.595 0 40 BFAB O=C(O)[C@H]1CC[C@H](C(=O)c2ccccc2)CC1 100590108 IQSXTPDJHKVQAF-TXEJJXNPSA-N 232.279 2.760 0 40 BFAB CC1=NN=C2SC(c3cccc(Cl)c3)=N[C@@H]12 100960248 YSADDDPKNJYXML-VIFPVBQESA-N 249.726 2.990 0 40 BFAB CN1C(=O)CC(C(F)(F)F)=Nc2ccccc21 102505065 BZPYTOLPICBCIY-UHFFFAOYSA-N 242.200 2.688 0 40 BFAB CC(C)CCC(=O)Oc1cccc(CO)c1 199766180 XYXAABFTAQFWDL-UHFFFAOYSA-N 222.284 2.521 0 40 BFAB CC[C@H](C(=O)O)N(C)c1ccc(C)cc1C 224982324 JASQLUWJZSHGID-LLVKDONJSA-N 221.300 2.603 0 40 BFAB C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2C)CC(C)(C)C1 225585249 HCNCEEAFXADKPJ-DDHJBXDOSA-N 223.360 2.973 0 40 BFAB CC(C)(C)OC(=O)NC[C@]1(C)CCCC(=O)C1 225781473 VABHGXNBDIZCNM-CYBMUJFWSA-N 241.331 2.661 0 40 BFAB COc1ccc(Cc2cc(Cl)ncn2)cc1 409428854 PGISCBCKPVUKRD-UHFFFAOYSA-N 234.686 2.729 0 40 BFAB CC(=O)NCC(c1ccccc1)c1ccccc1 50502 XGPLPSYPEKXARJ-UHFFFAOYSA-N 239.318 2.955 0 40 BFAB CSc1nc(Cl)c2cc(C)[nH]c2n1 1580003 RTYSMUZNPOXSMR-UHFFFAOYSA-N 213.693 2.642 0 40 BFAB COc1cccc([C@H]2CC(=O)c3cccn32)c1 1650437 PXNKOVHOTUECSV-CYBMUJFWSA-N 227.263 2.673 0 40 BFAB CC1(C)CC(=O)C[C@@H](C(Cl)(Cl)Cl)O1 2035642 ZIMYYBJHIVSVSQ-LURJTMIESA-N 245.533 2.883 0 40 BFAB Cc1ccc(C)c(OCc2nnc(S)o2)c1 6046875 ZJTKSHOMWRHRSJ-UHFFFAOYSA-N 236.296 2.554 0 40 BFAB in-vitro C/C=C/C=C/C(=O)Nc1cccc(C(C)=O)c1 6432838 QSACFMKBZHWIMK-PRKJJMSOSA-N 229.279 2.960 0 40 BFAB S=C(NCCC1=CCCCC1)NC1CC1 6855111 VKQKJCKGAFDSRR-UHFFFAOYSA-N 224.373 2.503 0 40 BFAB O[C@@H](c1nc2ccccc2s1)C(F)(F)F 8132973 VIIWUYMGSVRMGH-ZETCQYMHSA-N 233.214 2.892 0 40 BFAB c1cc(CNC2CCCCCC2)ccn1 8436797 BNIVSKHCYMNYGS-UHFFFAOYSA-N 204.317 2.894 0 40 BFAB CC[C@H](C)NC(=O)c1coc(Br)c1 12906162 XXTRBRCFVQAEHW-LURJTMIESA-N 246.104 2.570 0 40 BFAB CC[C@H](C)NC(=O)Cc1c(F)cccc1Cl 12928235 NEKZULCRENTHRJ-QMMMGPOBSA-N 243.709 2.936 0 40 BFAB CC1(C)C=Cc2c(c(O)cc3ccc(=O)oc23)O1 13379109 OYPWMLRFDXSKJG-UHFFFAOYSA-N 244.246 2.683 0 40 BFAB biogenic,in-vitro CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O[C@H]1C=CC(=O)O1 16036016 URWJVUPZIGIVFZ-OWTLIXCDSA-N 238.327 2.903 0 40 BFAB N[C@@H](c1ccc(F)cc1F)C(F)(F)F 19969037 LVSMZSSASNKGSY-ZETCQYMHSA-N 211.133 2.527 0 40 BFAB C/C=C/C=C/C(=O)N[C@H]1CCOc2ccccc21 39976127 MCWCQEWWDGHTRI-OYWNETOHSA-N 243.306 2.759 0 40 BFAB Cc1ccccc1COCC[C@@H]1CCCNC1 42771869 FTNSSUDICVDDMJ-AWEZNQCLSA-N 233.355 2.901 0 40 BFAB C[C@H](Nc1cc(Cl)nc(N)n1)c1ccccc1 43534311 IDKMCTUUHBDJFU-QMMMGPOBSA-N 248.717 2.885 0 40 BFAB Cc1cc(CN(C)CC2CCCCC2)on1 48056294 ZKWNSHIAPIFIQN-UHFFFAOYSA-N 222.332 2.995 0 40 BFAB CC(=O)N[C@H]1CCC(C)(C)c2ccccc21 49479819 VEWKIPBGQXNOKN-ZDUSSCGKSA-N 217.312 2.935 0 40 BFAB C[C@@H](C(=O)O)c1c(F)cc2ncccc2c1F 50888602 KGLPTUKGKASCTM-ZCFIWIBFSA-N 237.205 2.701 0 40 BFAB CCN(C)c1ncccc1[C@@H]1CCCN1CC 72212768 JLIIXLBLWBXILE-ZDUSSCGKSA-N 233.359 2.695 0 40 BFAB CSc1nnc(C2CC2)n1Cc1ccco1 79438081 UMGRDUFQCKNBNV-UHFFFAOYSA-N 235.312 2.519 0 40 BFAB Nc1cccc(F)c1N1CCCCCC1 88134753 YSPWJJCBNZBQKY-UHFFFAOYSA-N 208.280 2.788 0 40 BFAB CCc1nsc(N2C[C@H]3CC=CC[C@H]3C2)n1 89295487 LCFVFULALCUVCU-AOOOYVTPSA-N 235.356 2.503 0 40 BFAB CCc1ccccc1C(=O)C[C@H](C)CC(=O)O 95634290 MQJYZGWTXAVKLE-JTQLQIEISA-N 234.295 2.933 0 40 BFAB CC(C)CCOc1ccc(CCO)cc1F 95739541 AUMQQDSOBXCQBO-UHFFFAOYSA-N 226.291 2.785 0 40 BFAB Cc1nccn1CCCCC(F)(F)F 95990953 FSMATJNFGIYWOQ-UHFFFAOYSA-N 206.211 2.924 0 40 BFAB C[C@@H](O)CN[C@@H]1C[C@@H](c2ccccc2)C1(C)C 123675403 OKHGITDXBGVGTH-KWCYVHTRSA-N 233.355 2.539 0 40 BFAB CC[C@@H](C)n1cccc1CNCCCOC 223689868 NZYMBCFUECZDCQ-GFCCVEGCSA-N 224.348 2.585 0 40 BFAB S=C(Nc1ccc2conc2c1)N1CCCC1 409206229 WHSRDDVKPVMEAK-UHFFFAOYSA-N 247.323 2.620 0 40 BFAB O=C1c2cccc(Br)c2[C@H]2C[C@@H]12 1857793706 PZLKGKLADWXNKJ-NKWVEPMBSA-N 223.069 2.749 0 40 BFAB CCCc1nc(CC)c([C@](C)(O)CC)[nH]1 2002106692 AQDPLNCBCCMSCC-GFCCVEGCSA-N 210.321 2.542 0 40 BFAB Cc1ccnc(N[C@H]2OC(=O)c3ccccc32)c1 100263 NECOFFILDCZYNE-ZDUSSCGKSA-N 240.262 2.671 0 40 BFAB C[C@@H]1C(=O)C(C)(C)C(=O)O[C@@H]1c1ccccc1 247223 ALAYLHOMFJAZKV-ONGXEEELSA-N 232.279 2.516 0 40 BFAB CC1=Nn2c(nnc2-c2ccccc2C)SC1 525014 FXQYEZJFKMLSEZ-UHFFFAOYSA-N 244.323 2.583 0 40 BFAB c1ccc2c3c([nH]c2c1)CCc1cncnc1-3 1580350 BRWSRICYLCWTOI-UHFFFAOYSA-N 221.263 2.724 0 40 BFAB Cc1cc(SCc2ccccc2)nc(N)n1 1674945 FFISJOKFSFTPCY-UHFFFAOYSA-N 231.324 2.660 0 40 BFAB CC1=CC[C@@]2(C)CC[C@@](O)(C(C)C)[C@@H]2[C@@H](O)C1 5416353 SUAPQGLGNKUSLY-LJISPDSOSA-N 238.371 2.891 0 40 BFAB biogenic,in-vitro CCC(=O)NCc1ccc2cc(OC)ccc2c1 9872261 CYDXAOFJMCMNNZ-UHFFFAOYSA-N 243.306 2.875 0 40 BFAB CN(c1ccccc1)[C@H](CN)c1ccccc1 19269933 VADHRWLHVSIANO-OAHLLOKOSA-N 226.323 2.823 0 40 BFAB CCOc1ccccc1[C@H](C)NC[C@@H]1CCCO1 19963771 ULLNWEZOXSSGKJ-STQMWFEESA-N 249.354 2.915 0 40 BFAB O=C(CCn1cccn1)Nc1ccccc1Cl 20602976 ZLJWZIRZYXBXJC-UHFFFAOYSA-N 249.701 2.565 0 40 BFAB CC(C)=CC(=O)Nc1ccc(F)c(F)c1 22928320 KWZLWVYMUWKGBC-UHFFFAOYSA-N 211.211 2.870 0 40 BFAB CC(C)N1C(=O)S/C(=C/c2ccco2)C1=O 23382688 HOXVKJBJPMOSNK-RMKNXTFCSA-N 237.280 2.724 0 40 BFAB O=Cc1cnc(COc2ccc(Cl)cc2)nc1 26505791 YLTPFQYDIXNUDC-UHFFFAOYSA-N 248.669 2.522 0 40 BFAB C[C@@H](c1cccs1)n1cccc1C=O 35737302 RJGIQWXXUHLITQ-VIFPVBQESA-N 205.282 2.971 0 40 BFAB CN(C)c1cc(Cl)nc2ccccc12 39214395 WSQWDVWUCOHFNL-UHFFFAOYSA-N 206.676 2.954 0 40 BFAB CCSc1nnc(C)n1-c1cccc(C)c1 39964468 STSOXRIXIGWFKE-UHFFFAOYSA-N 233.340 2.996 0 40 BFAB Cc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2C)on1 45082183 YSMXNWHZMCBZDH-ONGXEEELSA-N 236.315 2.634 0 40 BFAB O=C(O)c1coc(-c2cccc(Cl)c2)n1 51075294 GBJFQHOUXXBLPD-UHFFFAOYSA-N 223.615 2.693 0 40 BFAB Cc1c(CN)oc2ccc(Br)cc12 52068985 HHMJJUYCEJXZEA-UHFFFAOYSA-N 240.100 2.962 0 40 BFAB COc1cccc(SCc2noc(C)n2)c1 58264265 CXZRKAPDKQSPGC-UHFFFAOYSA-N 236.296 2.679 0 40 BFAB CC[C@H](C)C(=O)Nc1ccc(F)cc1OC 58355418 OQIOOONRCUUGLB-QMMMGPOBSA-N 225.263 2.819 0 40 BFAB CC[C@@](C)(O)CNCc1ccc(Cl)cc1 69739414 XLRKHYNVIQNFCN-GFCCVEGCSA-N 227.735 2.591 0 40 BFAB CC(C)Oc1ncccc1[C@@H]1CCCCN1C=O 72211991 MFWJUSUMVCLWIE-ZDUSSCGKSA-N 248.326 2.552 0 40 BFAB Cc1cc([C@@H]2CCCCN2C=O)cnc1Cl 72217812 ZRIKKAMWHLXFOT-NSHDSACASA-N 238.718 2.727 0 40 BFAB Cc1cc([C@H](N)c2ccccc2)cnc1N(C)C 72222074 IEQMXRQUIDMWQV-CQSZACIVSA-N 241.338 2.504 0 40 BFAB CCOC(=O)/C=C/c1csc(-c2ccco2)n1 72290062 XHFYLPZYRMKVMB-AATRIKPKSA-N 249.291 2.979 0 40 BFAB O=C(OCC1CC1)c1cnc(Cl)c(Cl)c1 82419789 XZNPDLCGNLOJSF-UHFFFAOYSA-N 246.093 2.955 0 40 BFAB in-vitro CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C 84174754 DFFFKVZRWYAMTJ-UHFFFAOYSA-N 243.310 2.756 0 40 BFAB C[C@H](O)C[C@@H]1CCCN1CCCc1ccccc1 89895287 XBVFRGAFHZFZRO-HOCLYGCPSA-N 247.382 2.855 0 40 BFAB CCOC(=O)Nc1cccc(OCC(F)F)c1 97380058 GMRJNDJEVJAIOW-UHFFFAOYSA-N 245.225 2.899 0 40 BFAB CCCCN1NC(CCC)(CCC)NC1=S 225350593 YPKCCIXKDXYHJQ-UHFFFAOYSA-N 243.420 2.778 0 40 BFAB Cc1ccc(Cn2c(C)cc(CO)c2C)o1 226033642 YDZZPEWNPDDQNQ-UHFFFAOYSA-N 219.284 2.547 0 40 BFAB Oc1cccc(N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1 253369702 GXSAMNBVLABXQA-MGPQQGTHSA-N 245.322 2.762 0 40 BFAB CC(=O)OC(C)(C)C(=O)c1ccccc1Cl 309500822 HEGCOYDUYPPKGF-UHFFFAOYSA-N 240.686 2.864 0 40 BFAB COC(=O)CCCC(=O)c1cccc(C)c1C 575358185 GQCILCFVHLJXLL-UHFFFAOYSA-N 234.295 2.829 0 40 BFAB O=c1occc2ccc(Br)cc12 606241718 QAJSBWOGMUXGIC-UHFFFAOYSA-N 225.041 2.556 0 40 BFAB CCc1c(C)c2ccc(OC(C)=O)cc2oc1=O 518463 LAWDEVOZKAFFJS-UHFFFAOYSA-N 246.262 2.589 0 40 BFAB CCOC(=O)CCCCCC(=O)C1CCC1 2243658 DXCVSESBBZWHRH-UHFFFAOYSA-N 226.316 2.869 0 40 BFAB Cn1c(Cc2ccccc2)[n+](C)c2ccccc21 2541043 FGQCFNGNGYEHII-UHFFFAOYSA-N 237.326 2.594 0 40 BFAB O=S(=O)(c1cccc(Cl)c1)C(F)(F)F 2566695 YPXIWAYTZKFRIU-UHFFFAOYSA-N 244.621 2.634 0 40 BFAB COc1ccc([C@@H](C)N)c2ccccc12 3705593 GEAIGLPMZKYVEJ-SECBINFHSA-N 201.269 2.868 0 40 BFAB CC(C)CCNC(=O)Nc1ccccc1 4854430 NLKIRMSPMYBHEN-UHFFFAOYSA-N 206.289 2.854 0 40 BFAB COc1ccc(CNC(C)(C)C)c(OC)c1 6882556 AEJHZTIIZMGZPL-UHFFFAOYSA-N 223.316 2.592 0 40 BFAB in-vitro COC(=O)c1ccnc(-c2ccccc2)c1 8700053 PKPOOQVXKJROPY-UHFFFAOYSA-N 213.236 2.535 0 40 BFAB C/C(=C1/C(=O)Nc2ccccc21)c1cccnc1 11535709 YQGXNIFBCURDSC-UVTDQMKNSA-N 236.274 2.964 0 40 BFAB O=C(O)c1ccccc1CN1CCCCCC1 11959833 QPSJLFSHUWBKQU-UHFFFAOYSA-N 233.311 2.761 0 40 BFAB Cc1nn(C)c(C)c1NC(=O)C1CCCCC1 12985324 RCAONCVDRZBIGX-UHFFFAOYSA-N 235.331 2.556 0 40 BFAB Cc1cc(C)cc(OC(=O)c2cnc(C)cn2)c1 14161667 WBERZFSSZLHZHZ-UHFFFAOYSA-N 242.278 2.621 0 40 BFAB COC(=O)c1ccc(-c2cncc(Cl)n2)cc1 16696620 OTABOGNYIHUEIC-UHFFFAOYSA-N 248.669 2.584 0 40 BFAB COc1ccc(C)cc1C(=O)C1CCC1 19725788 UZLUIVUFDODSGP-UHFFFAOYSA-N 204.269 2.986 0 40 BFAB CC1=C(C)[C@H]2C(NCC(C)C)=NC=N[C@@H]2S1 28616874 RAARFHHCJIEQNK-CMPLNLGQSA-N 237.372 2.655 0 40 BFAB CC[C@@H](C)NC(=O)c1cc(C)sc1C 32747644 DUDHCMRFWMCJAR-SSDOTTSWSA-N 211.330 2.893 0 40 BFAB COC(=O)c1ccc(CNc2cccc(C)c2)o1 34993965 GGKKOTHPZPTAMQ-UHFFFAOYSA-N 245.278 2.987 0 40 BFAB O=C1COc2c1ccc(Cl)c2Cl 35652479 PPVCDEHKMVBMGA-UHFFFAOYSA-N 203.024 2.569 0 40 BFAB in-vitro c1ccc2c(c1)CCCN2CC[C@@H]1CCCNC1 42783383 PQCIXNOOSQFYGI-AWEZNQCLSA-N 244.382 2.829 0 40 BFAB in-vitro Nc1ncc(C(F)(F)F)cc1-c1ccncc1 47212435 QZAVCAATCTZNFR-UHFFFAOYSA-N 239.200 2.745 0 40 BFAB O=C(/C=C/c1ccccc1F)NCC(F)(F)F 58191066 LDLBKIUJTFTZQS-AATRIKPKSA-N 247.191 2.517 0 40 BFAB CCN(C(=O)[C@@H]1C[C@H]1C)c1ccc(F)cc1 58324179 IVHZQQIIQOLEKG-BXKDBHETSA-N 221.275 2.835 0 40 BFAB CCN(C(=O)[C@H]1C[C@H]1C)c1ccc(F)cc1 58324182 IVHZQQIIQOLEKG-SKDRFNHKSA-N 221.275 2.835 0 40 BFAB CNc1ccc([C@H]2CCCN2C(C)C)c(C)n1 72219100 GDSWWHLNWXBWDY-CYBMUJFWSA-N 233.359 2.977 0 40 BFAB CC[C@@H](N)c1cnc(N2CCCCC2)cc1C 72223506 YGEBFVNAVUKTDJ-CYBMUJFWSA-N 233.359 2.790 0 40 BFAB CC1=Cn2c(nc3ccccc32)[C@H](C)O1 76555451 RGCYLJVFUGDKMP-VIFPVBQESA-N 200.241 2.946 0 40 BFAB CC(C)[C@H](CC(=O)O)c1cccc(O)c1 82944098 GQJPJYDMMNUILI-NSHDSACASA-N 208.257 2.607 0 40 BFAB CC(=O)N1CCC[C@H]1c1ccc(C)c(C)c1 89643194 FSINBBAOXOBSDZ-AWEZNQCLSA-N 217.312 2.987 0 40 BFAB CN(Cc1ccccn1)c1nc2ccccc2[nH]1 91456339 DWFVKLKLSNDLEI-UHFFFAOYSA-N 238.294 2.594 0 40 BFAB Cc1cc(F)ccc1CN1CC[C@@]2(CCOC2)C1 93820416 MNBWHYPSDAVXDV-OAHLLOKOSA-N 249.329 2.747 0 40 BFAB CCOC(=O)c1nc(Cl)c2ccsc2n1 95079668 ODRHDISYYJZDNI-UHFFFAOYSA-N 242.687 2.521 0 40 BFAB CC(C)CCC(=O)OC[C@H]1CCCCO1 98070519 GKTQUKHQVATAJN-LLVKDONJSA-N 214.305 2.535 0 40 BFAB C[C@@](F)(C(=O)O)c1ccc(Cl)cc1 98174866 YSNNQTPQDBQRIP-VIFPVBQESA-N 202.612 2.609 0 40 BFAB COc1ccc([C@@H](C)N[C@@H]2CCCC[C@@H]2N)cc1 218868633 VQTRNMZJWYDLFO-BYCMXARLSA-N 248.370 2.616 0 40 BFAB CC1=Nc2c(C)cccc2[C@@H](OCC(=O)O)C1 227148530 AEQPUVSJGNYBQI-NSHDSACASA-N 233.267 2.633 0 40 BFAB Oc1cccc(CNc2ccn(C(F)F)n2)c1 256050673 GBZYJKGARGTQKN-UHFFFAOYSA-N 239.225 2.596 0 40 BFAB CC(C)n1nccc1CNCc1ccccc1 256050752 GIOMEWBAMNSXFF-UHFFFAOYSA-N 229.327 2.754 0 40 BFAB Fc1c(OC(F)(F)F)ccc2[nH]cnc12 258833914 NEFIKZZVKXYHPY-UHFFFAOYSA-N 220.125 2.601 0 40 BFAB Fc1cc(N2CCOCC2)ccc1C(F)F 575629210 MMUZZAVZYHTBGX-UHFFFAOYSA-N 231.217 2.600 0 40 BFAB Cc1ccc(Cl)c(CO)c1Br 575677280 JCROPVYZQOHKHA-UHFFFAOYSA-N 235.508 2.903 0 40 BFAB CN(Cc1ccccc1)c1cc(C2CC2)ncn1 641250905 ZQUIQBITGMYNOY-UHFFFAOYSA-N 239.322 2.990 0 40 BFAB O=C1N[C@H](c2cccs2)Nc2ccccc21 79169 ZYBQITBKNGCUHV-LLVKDONJSA-N 230.292 2.602 0 40 BFAB O=C(Nc1ccccc1)c1ccc(Cl)nc1 166611 DFFRJEHSYRUIAU-UHFFFAOYSA-N 232.670 2.987 0 40 BFAB C[C@H](NC(=O)N1CC1(C)C)c1ccccc1 1653855 JNTDAWSGAYPTEI-MYHCZTBNSA-N 218.300 2.551 0 40 BFAB CNC(=O)C1(c2ccccc2)CCCCC1 1722342 GRJVKHOBXDHCRU-UHFFFAOYSA-N 217.312 2.635 0 40 BFAB Cc1nc(N2CCCC2)c2ccsc2n1 2696171 ZDZIJQJTIMZWFS-UHFFFAOYSA-N 219.313 2.600 0 40 BFAB NCCOc1c(Cl)cc(Cl)cc1Cl 4227457 SUSCJRQKCYABMX-UHFFFAOYSA-N 240.517 2.984 0 40 BFAB biogenic O=C(Nc1c[nH]c2ccccc12)N1CCCC1 5299788 OVGVGYIVMOSZCP-UHFFFAOYSA-N 229.283 2.796 0 40 BFAB CO[C@H](C(=O)NCCC(C)C)c1ccccc1 6306737 OLBZUDNCYKITCM-ZDUSSCGKSA-N 235.327 2.536 0 40 BFAB CCCCC(=O)Nc1ccc(N)c(C)c1 8703482 RNIFKFGOCFHRJH-UHFFFAOYSA-N 206.289 2.706 0 40 BFAB CN(C)C(=O)Nc1ccc(-c2cccnc2)cc1 13213433 PQTLXBSFUGXELF-UHFFFAOYSA-N 241.294 2.842 0 40 BFAB Nc1cccc(Cl)c1OC[C@H]1CCCCO1 14629226 LQSKRGNJICEUBA-SECBINFHSA-N 241.718 2.870 0 40 BFAB CCN(CC)[C@H](CN)c1ccccc1Cl 19361928 HBCFIRRZLOLLOX-GFCCVEGCSA-N 226.751 2.682 0 40 BFAB in-vitro NCCNc1ccc(Oc2ccccc2)cc1 19732746 NDWICPSRRRNDBR-UHFFFAOYSA-N 228.295 2.850 0 40 BFAB CC(C)c1c(C(=O)O)cnn1Cc1ccccc1 20563348 BWJUAONMSYCAKF-UHFFFAOYSA-N 244.294 2.753 0 40 BFAB in-vitro Nc1ccc(C(F)(F)C(F)(F)F)cc1 34142288 DHBQQUHYERQIMY-UHFFFAOYSA-N 211.133 2.923 0 40 BFAB CCN(CC)c1ccc(N=O)c(OC)c1 34317575 YFLMEXHABQOPKW-UHFFFAOYSA-N 208.261 2.939 0 40 BFAB CC(C)(C)c1ccccc1NC(=O)[C@H]1CCCN1 37015967 FGMHPXKKOQGLGO-CYBMUJFWSA-N 246.354 2.675 0 40 BFAB CNC1CCN(Cc2ccccc2Cl)CC1 37483390 FEUUFLRMGRVTRX-UHFFFAOYSA-N 238.762 2.524 0 40 BFAB CCN(CCO)C(=O)CCCC1CCCCC1 37854210 PXVCLFMFDQLFNG-UHFFFAOYSA-N 241.375 2.578 0 40 BFAB Cc1cc(C)cc(OCCN(C)C(=O)C(C)C)c1 40001088 JZJXYVFQPISKKX-UHFFFAOYSA-N 249.354 2.797 0 40 BFAB Cc1ccc(F)cc1NC(=O)N1CCCC1 40525999 ZXXIZHFSPPSRLI-UHFFFAOYSA-N 222.263 2.762 0 40 BFAB Nc1ccc(Cl)cc1-c1nc(C2CC2)n[nH]1 41058727 IHRUMRCYZQBOQW-UHFFFAOYSA-N 234.690 2.585 0 40 BFAB CCCc1ccccc1O[C@@H]1CCCNC1 42776238 TTWCDIFUZQMRIL-CYBMUJFWSA-N 219.328 2.770 0 40 BFAB COC(=O)CN(C)[C@H](C)c1cc2ccccc2o1 44089960 MQTJULVUQDTCDP-SNVBAGLBSA-N 247.294 2.599 0 40 BFAB Cc1noc(CN2CCC[C@@H]2c2ccsc2)n1 44937853 VLWPAZKYLJXTSQ-LLVKDONJSA-N 249.339 2.777 0 40 BFAB COc1ccc(NC(=O)c2ccoc2)cc1F 48326330 HXFSYSZKLGSAJE-UHFFFAOYSA-N 235.214 2.680 0 40 BFAB NCCCCCN1CC[C@@H]2CCCC[C@H]2C1 49580736 VXEUCYLCEJAUIV-KBPBESRZSA-N 224.392 2.628 0 40 BFAB COc1ccc(CN(C)Cc2cc(C)on2)cc1 58007685 WYUVKIYZSXBJIC-UHFFFAOYSA-N 246.310 2.624 0 40 BFAB COc1ccc([C@H](NC(C)=O)C(C)C)cc1 58263950 RTAYKUZTGUIHBT-CYBMUJFWSA-N 221.300 2.528 0 40 BFAB Cc1ccc(NCC(=O)N2CCC[C@@H](C)C2)cc1 58374121 IQKLZUHKBDFBHF-CYBMUJFWSA-N 246.354 2.665 0 40 BFAB CCCCNc1ccc([C@@H]2CCCN2)cn1 72213640 BAHKJVGGUMMYQR-LBPRGKRZSA-N 219.332 2.718 0 40 BFAB CNc1cccc(C2CCN(C(C)C)CC2)n1 72356953 LGGFSZSZUHOWMO-UHFFFAOYSA-N 233.359 2.711 0 40 BFAB O=C(O)c1ccccc1OCCC(F)(F)F 80936536 WVUGGEXXMCKGQA-UHFFFAOYSA-N 234.173 2.716 0 40 BFAB O=C(O)[C@@H]1CCC[C@H]1Cc1ccccc1 84325025 HMZNQCDCGOOMDO-NWDGAFQWSA-N 204.269 2.730 0 40 BFAB in-vitro CCCCC[C@H](C)NC(=O)NCC(C)C 84743051 UJSTWHHUQGQRNN-NSHDSACASA-N 214.353 2.910 0 40 BFAB CCCNCc1c(C)[nH]c2ccc(OC)cc12 87819137 UDLQXENONZISLE-UHFFFAOYSA-N 232.327 2.985 0 40 BFAB Cc1ncn(C[C@@H](C)NC2CCCCC2)c1C 93368945 UGAZQMBARHQOPY-LLVKDONJSA-N 235.375 2.811 0 40 BFAB Cc1ccccc1Oc1ncccc1NC(N)=O 95403998 KXAVQBLDXBRONS-UHFFFAOYSA-N 243.266 2.673 0 40 BFAB CC(=O)c1ccc(OC[C@@H]2CC2(F)F)cc1 96515601 AXDUCJHMVKGJMJ-JTQLQIEISA-N 226.222 2.923 0 40 BFAB C[C@@H](c1cccnc1)N(C)Cc1cncs1 97375243 WJCJDEYMTZIJFA-JTQLQIEISA-N 233.340 2.731 0 40 BFAB CCOC[C@@H]1C(=O)[C@@]2(C)CC[C@H]1C2(C)C 103210368 SMFWSVXVEULEDG-OPQQBVKSSA-N 210.317 2.664 0 40 BFAB CCN(C(=O)[C@@H](C)OCC1CC1)C1CCCC1 119614989 LJNDZDNEABVVLU-LLVKDONJSA-N 239.359 2.593 0 40 BFAB Fc1ccc(-c2ccc3nnc(Cl)n3n2)cc1 143082008 UFYSEIRQWVNZCO-UHFFFAOYSA-N 248.648 2.584 0 40 BFAB CCc1cnn(-c2cccc(Cl)c2)c1N 221605136 ALDRYFMLDSYASB-UHFFFAOYSA-N 221.691 2.670 0 40 BFAB COCC1=C(Br)CCCC1 222615858 XCTTVGXCHDISJR-UHFFFAOYSA-N 205.095 2.856 0 40 BFAB CCCNCc1c(C)n(C)c2ccc(OC)cc12 223765630 ODGGWRGCGQBRCH-UHFFFAOYSA-N 246.354 2.995 0 40 BFAB C[C@@H]1OCC[C@H]1N[C@H]1c2ccccc2C[C@H]1C 245344107 XPFAXHFIVKNXQW-BAESOJJISA-N 231.339 2.687 0 40 BFAB C[C@H](CC(=O)O)n1ncc(Cl)c1C(F)F 408715937 GYBZPAMWEXQRJK-SCSAIBSYSA-N 238.621 2.510 0 40 BFAB Cc1nnc(N2CCC(=C3CC3)CC2)s1 575606340 ILLXBECOPIMOSG-UHFFFAOYSA-N 221.329 2.537 0 40 BFAB CCOC(=O)[C@H]1CCC[C@H](OC(F)(F)F)C1 953019106 LKFXVDNJNNKIKD-YUMQZZPRSA-N 240.221 2.645 0 40 BFAB CC(C)(C)[C@](C)(O)c1cc(C(F)(F)F)[nH]n1 506333 GJEQRBHIXVFAFR-SECBINFHSA-N 236.237 2.682 0 40 BFAB C[C@H]1CO[C@H](C[C@@H](C)c2ccccc2)O1 1229969 JVVKHPVHCMSPGX-MDZLAQPJSA-N 206.285 2.942 0 40 BFAB CCN(CC)C(=O)Oc1ccc(C(C)=O)cc1 1737796 NVIZPUFJDGMCQI-UHFFFAOYSA-N 235.283 2.730 0 40 BFAB CCN(C)CCc1c[nH]c2ccc(OC)cc12 2486927 AVECDEWGCOLCPZ-UHFFFAOYSA-N 232.327 2.671 0 40 BFAB O=C(NC1CCCCC1)c1cc(C2CC2)on1 2497937 FRCIYEULNJCLEJ-UHFFFAOYSA-N 234.299 2.615 0 40 BFAB O=C(Nc1ccccc1)[C@H]1Cc2ccccc21 3848212 YMMGZWJMXZSCGH-AWEZNQCLSA-N 223.275 2.965 0 40 BFAB biogenic Nc1ccccc1C(=O)OCc1ccc(F)cc1 6971684 HWCFHLCXPXGVEZ-UHFFFAOYSA-N 245.253 2.765 0 40 BFAB Cc1ccc(O)c(C(=O)N(C)Cc2ccco2)c1 12884110 RMHGAPGGKFOHKN-UHFFFAOYSA-N 245.278 2.566 0 40 BFAB N[C@@H]1CCCOc2cc(Br)ccc21 19408218 YOQXSJZQVXGFQD-SECBINFHSA-N 242.116 2.622 0 40 BFAB Cn1c(Cl)nc2c3cccnc3ccc21 22062793 GJOVRMBVMMUKJY-UHFFFAOYSA-N 217.659 2.775 0 40 BFAB in-vitro O=C1CSc2ccc(Br)cc21 34482931 JDNHIUBOBYGRDS-UHFFFAOYSA-N 229.098 2.738 0 40 BFAB in-vitro C[C@@H]1CCCCN1Cc1nnsc1Cl 35165110 ULFCFALXUMIMCU-SSDOTTSWSA-N 231.752 2.566 0 40 BFAB Cc1nc(N)sc1Cc1cc(F)cc(F)c1 36852865 MVSJBENLNGTASE-UHFFFAOYSA-N 240.278 2.903 0 40 BFAB C[C@@H]1CCCC[C@H]1NC(=O)NCc1ccco1 40474214 DNDSAZZLMNKKHJ-ZYHUDNBSSA-N 236.315 2.658 0 40 BFAB Clc1nc2ccccc2nc1NC1CC1 44029834 RKUQFDFAELWVKV-UHFFFAOYSA-N 219.675 2.858 0 40 BFAB CNCCCc1cc(-c2ccc(F)cc2)no1 47844188 NNCHQODVNZTZCU-UHFFFAOYSA-N 234.274 2.633 0 40 BFAB in-vitro CN(C)C(=O)Nc1cccc(OC(F)(F)F)c1 48300498 ABSORFWRXQTAOX-UHFFFAOYSA-N 248.204 2.679 0 40 BFAB FC(F)(F)c1nc(Cl)nc2c1CCC2 62202910 OVTDTZCVEWUTHM-UHFFFAOYSA-N 222.597 2.638 0 40 BFAB C[C@H](O)[C@H]1C[C@@H]1c1ccc(Br)cc1 62713984 WWMCQKXSZNIITD-WHGOUJPWSA-N 241.128 2.933 0 40 BFAB NC1(Cc2ccc(F)cc2Cl)CCOCC1 63077120 QQNLFOVUJIUTPR-UHFFFAOYSA-N 243.709 2.530 0 40 BFAB CCOC(=O)c1cnc(C(C)(C)C)s1 64223044 KZJMIYNMRNUMFW-UHFFFAOYSA-N 213.302 2.617 0 40 BFAB CC[C@@H](C)n1nc(C)c(Cl)c1C=O 72209429 ZSUUNQRJSIKNRW-ZCFIWIBFSA-N 200.669 2.628 0 40 BFAB Cc1ccc(-n2ccc(C(=O)O)c2C)cc1 75420491 PQFDGOSISBZLKR-UHFFFAOYSA-N 215.252 2.792 0 40 BFAB COc1cccc(CNc2cc(C)on2)c1OC 83378385 AJCVVXQOKLYBLY-UHFFFAOYSA-N 248.282 2.612 0 40 BFAB CC[C@H](N[C@@H](C)c1ccco1)[C@H]1CCCO1 90859137 AFCLUCZSZRNADU-GMXVVIOVSA-N 223.316 2.888 0 40 BFAB CC(C)n1cc(-c2cc(Cl)ncn2)cn1 96524142 XDNKDBCYKKHWID-UHFFFAOYSA-N 222.679 2.574 0 40 BFAB O=C(Nc1ncccc1Cl)[C@H]1C[C@@H]1C1CC1 97046950 CJKHKRZLNASZQB-BDAKNGLRSA-N 236.702 2.720 0 40 BFAB Cc1c(CN)ccc2c1ncn2[C@@H]1CCCCO1 97756569 AZYMERDEKVDKKW-ZDUSSCGKSA-N 245.326 2.503 0 40 BFAB COc1ccc([C@H]2[C@H]3CC[C@@H](C3)[C@@H]2N)cc1 100888729 BJNJVLZOLIJWSQ-IMIFBBOLSA-N 217.312 2.536 0 40 BFAB O=C(NC[C@H]1C[C@@H]2CC[C@@H]1C2)c1cccc(F)c1 100977673 AJPYURYLMKTZRR-NQBHXWOUSA-N 247.313 2.992 0 40 BFAB Cc1ccc(C(=O)[C@@H]2C(=O)[C@H]3CC[C@H]2C3)cc1 104116967 WBQVVYIWQLXMTJ-RWMBFGLXSA-N 228.291 2.793 0 40 BFAB C[C@H](CCc1ccccc1)CN(C)[C@H](C)CN 108478428 XVGZMRVUUQZLLL-ZIAGYGMSSA-N 234.387 2.534 0 40 BFAB Fc1ccccc1Cc1n[nH]c2cccnc12 146181092 RBVQKTIVBFULIG-UHFFFAOYSA-N 227.242 2.688 0 40 BFAB Cc1ccc([Si](C)(C)c2ccccc2)cc1 195766500 JJPIYPXNVJXPDU-UHFFFAOYSA-N 226.395 2.818 0 40 BFAB CCCNC(=S)Nc1ncc(C)cc1Cl 223870210 HEZQRJAUDUHEJC-UHFFFAOYSA-N 243.763 2.740 0 40 BFAB CCc1ccc(N2CCN[C@@H]3CCC[C@@H]32)cc1 225717072 NPOGMVVUPHQGBC-CABCVRRESA-N 230.355 2.580 0 40 BFAB Cc1cccn1Cc1ccccc1C(=O)O 226032374 JPRFHXOKGJSEKR-UHFFFAOYSA-N 215.252 2.543 0 40 BFAB N=C(N)Cc1cc(C(F)(F)F)ccc1Cl 228917896 GNOASTZDYABDEI-UHFFFAOYSA-N 236.624 2.837 0 40 BFAB CC[C@H](C(=O)O)n1cc(Cl)c(C(F)F)n1 408717293 YASDGWAYLNCIAL-RXMQYKEDSA-N 238.621 2.510 0 40 BFAB CC(=O)OC(C)(C)C(=O)c1ccc(F)c(C)c1 575357627 UKFWJGBKECVXBR-UHFFFAOYSA-N 238.258 2.659 0 40 BFAB COc1ccc2c(=O)c(C)c(C3CC3)[nH]c2c1 685938750 VXFIIBRRYRJWNG-UHFFFAOYSA-N 229.279 2.723 0 40 BFAB COC(=O)c1[nH]ccc1-c1ccsc1 1772715026 MWXWPJLIOHMXSF-UHFFFAOYSA-N 207.254 2.530 0 40 BFAB CCOC(=O)c1ccc([C@H](C)N(CC)CC)o1 182984 FCRBNULBWNHEMA-JTQLQIEISA-N 239.315 2.859 0 40 BFAB N=c1ccn(Cc2cccc(Cl)c2)cc1 221965 NYXWNDQIERERNF-UHFFFAOYSA-N 218.687 2.669 0 40 BFAB biogenic CCC1COP(=O)(c2ccccc2)OC1 1603711 BJBYKWQZVLAJFC-UHFFFAOYSA-N 226.212 2.578 0 40 BFAB CN(C)c1cc2c3ccccc3n(C)c2cc1N 2022157 JVOIKDBIBDCMSA-UHFFFAOYSA-N 239.322 2.980 0 40 BFAB O=C(O)CCCCCC(=O)c1cccs1 2378478 ODSQQQAMZUCVPO-UHFFFAOYSA-N 226.297 2.966 0 40 BFAB O=C(O)/C=C/c1ccc(O)c2ccccc12 2504909 QNMRKUFLPDHHHD-SOFGYWHQSA-N 214.220 2.643 0 40 BFAB CCOC(=O)c1cc(Cl)cc(N)c1Cl 2582004 MHMMVAMMASEGOB-UHFFFAOYSA-N 234.082 2.752 0 40 BFAB CSCC(=O)Nc1ccc(SC)cc1 8048779 RRSDZISHXLIOPV-UHFFFAOYSA-N 227.354 2.710 0 40 BFAB COC(=O)c1c(C)n(C2CC2)c2ccc(O)cc12 8390486 FPLKUWNSSOMXKP-UHFFFAOYSA-N 245.278 2.777 0 40 BFAB CC[C@@H](C)C(=O)Nc1ccc(C)cc1N 8703503 DIGXBPPAWKOBTB-SECBINFHSA-N 206.289 2.562 0 40 BFAB Cc1nc(-c2ccccc2)c(CCN)s1 11729915 YGTKMFMDFGEAKH-UHFFFAOYSA-N 218.325 2.620 0 40 BFAB CSc1ccc([C@H](C)NC(=O)C2CC2)cc1 19935149 QZHYFFPDDOFPFA-VIFPVBQESA-N 235.352 2.996 0 40 BFAB c1coc([C@H](CNC2CCCC2)N2CCCC2)c1 20123044 BOHZWCLFBRDDIO-AWEZNQCLSA-N 248.370 2.949 0 40 BFAB CCCn1ccc(NCc2cccs2)n1 20351772 ZWXCJIZDWHIDSC-UHFFFAOYSA-N 221.329 2.967 0 40 BFAB CCNCc1ccc(-c2ccc(C(=O)O)cc2)o1 20875507 VYAHSCPKXJAJNL-UHFFFAOYSA-N 245.278 2.754 0 40 BFAB O=C(CCc1ccsc1)Nc1ccncc1 32725993 UXRHVOQYJGHYBQ-UHFFFAOYSA-N 232.308 2.714 0 40 BFAB CN(Cc1ccccc1Cl)C(=O)c1ccc[nH]1 32744550 BOCJUNDIIMXHQE-UHFFFAOYSA-N 248.713 2.940 0 40 BFAB Nc1c(C(F)(F)F)ccc2cccnc12 34116598 LMGKSWURSWICTN-UHFFFAOYSA-N 212.174 2.836 0 40 BFAB CCCc1nc2cc(C(=O)OC)cc(C)c2[nH]1 34279246 DEFDQXCQBZEOGY-UHFFFAOYSA-N 232.283 2.610 0 40 BFAB C[C@H]1Cc2cc(Br)ccc2C1=O 34384577 GMWXCOYOQNIWPE-LURJTMIESA-N 225.085 2.824 0 40 BFAB in-vitro NCCCCN1CC=C(c2ccccc2)CC1 34537086 LFZMBABTDDPRJG-UHFFFAOYSA-N 230.355 2.515 0 40 BFAB COc1ccc(Oc2cc(Cl)ncn2)cc1 35976332 YERJZLPVPNPWLU-UHFFFAOYSA-N 236.658 2.931 0 40 BFAB Cc1ccc2c(c1)[C@@H]1[C@H]([C@H]3CC[C@@H]1C3)[S@](=O)N2 36498847 SNZUAMJDPKNTCJ-WLNMDWPQSA-N 247.363 2.966 0 40 BFAB CCc1nc(-c2cccc(N)c2)oc1C 39321324 PYOMZMSHPHBGKL-UHFFFAOYSA-N 202.257 2.795 0 40 BFAB CCc1noc([C@@H](C)N2C[C@@H](C)C[C@@H](C)C2)n1 42651726 GSIOCPGGTNDGHV-OUAUKWLOSA-N 237.347 2.671 0 40 BFAB Cc1csc(SC[C@H]2CCCCN2)n1 43495206 BHRNNCDGFSSAOS-SECBINFHSA-N 228.386 2.686 0 40 BFAB CCOC(=O)Cc1c(Cl)ccc(C)c1F 43503475 ZMWLBTDDPOMWOF-UHFFFAOYSA-N 230.666 2.893 0 40 BFAB OCc1cccc(-c2cccc(O)c2)c1 65339932 IYFICUQEHAUKMS-UHFFFAOYSA-N 200.237 2.552 0 40 BFAB CCN(C)[C@@H](C)C(=O)c1c[nH]c2ccccc12 69418979 YSRZAVPXKGZJCN-JTQLQIEISA-N 230.311 2.691 0 40 BFAB Cc1cc(C)c(-c2cc(O)on2)c(C)c1 71976591 ROYDJGISVCOIHZ-UHFFFAOYSA-N 203.241 2.972 0 40 BFAB CN1CCC[C@H]1c1ccc2[nH]ccc2c1 72221718 VGTWTHZUHFDFKP-ZDUSSCGKSA-N 200.285 2.935 0 40 BFAB Nc1c(Br)ccc(Cl)c1F 75915345 WXCVUVYFQQVECG-UHFFFAOYSA-N 224.460 2.824 0 40 BFAB CN(C(=O)c1cnccn1)C1CCCCCCC1 83855658 GLXJQGOCTMDROM-UHFFFAOYSA-N 247.342 2.662 0 40 BFAB Cc1ccc(OCC2(C(=O)O)CCC2)cc1 85390445 PYRGDQVJTNMBHW-UHFFFAOYSA-N 220.268 2.629 0 40 BFAB c1ccc(CN2CC[C@@H]3CCCC[C@@H]32)nc1 95351189 XDENLTKWXPKCCT-JSGCOSHPSA-N 216.328 2.846 0 40 BFAB COc1c(C)cc([C@H](O)c2ccco2)cc1C 95727461 VKGJXGMDJUHVKC-ZDUSSCGKSA-N 232.279 2.987 0 40 BFAB Cc1cc(F)ccc1OCCC1OCCCO1 95734104 AGJDNTCFBDDKAL-UHFFFAOYSA-N 240.274 2.666 0 40 BFAB CC(C)COc1ccc([C@@H](C)O)cc1F 95739652 OVUZQCXCWKWWMO-SECBINFHSA-N 212.264 2.914 0 40 BFAB CC(C)(CO)C(C)(C)NCc1ccccc1 95963901 KMJGNSCOLBQQHO-UHFFFAOYSA-N 221.344 2.573 0 40 BFAB COc1ccc(COC(=O)c2ccsc2)cn1 96442952 COQIALGDGWNGQF-UHFFFAOYSA-N 249.291 2.509 0 40 BFAB C[C@H]1C[C@@](C)(C(=O)O)CC12SCCS2 217893758 MNASLHKBLVRWNY-IONNQARKSA-N 232.370 2.684 0 40 BFAB CCCCOCc1ccnn1C(F)F 408716728 QIABNMXKILASTI-UHFFFAOYSA-N 204.220 2.595 0 40 BFAB O=Cc1cc2nc(Cl)nc(Cl)c2s1 694945928 FQZPHXSSYHHUHS-UHFFFAOYSA-N 233.079 2.811 0 40 BFAB CCCC1(C(=O)N2Cc3ccncc3C2)CC1 848383811 QFVOXTFNIVOKSB-UHFFFAOYSA-N 230.311 2.504 0 40 BFAB CC1CCN(C(=O)c2ccc(F)cc2)CC1 302153 BGUJLCDFPQKVRV-UHFFFAOYSA-N 221.275 2.698 0 40 BFAB COc1ccc(-c2cn3c(n2)CCCC3)cc1 1509465 UIDTUMAKDLFGHL-UHFFFAOYSA-N 228.295 2.895 0 40 BFAB CCCCCC(=O)NCCC(=O)c1ccccc1 1591893 GZEQZUOTRNNIRY-UHFFFAOYSA-N 247.338 2.956 0 40 BFAB CCc1ccc(NC(=O)CN(CC)CC)cc1 1935248 VTWHYRRDLFWXRY-UHFFFAOYSA-N 234.343 2.529 0 40 BFAB O=C(O)c1cccc(SC(F)F)c1 2382196 PMMXGBDANHYUQG-UHFFFAOYSA-N 204.197 2.700 0 40 BFAB in-vitro Nc1ccccc1Nc1ccccc1C(=O)O 3609637 IVGNITNPTLTGIT-UHFFFAOYSA-N 228.251 2.711 0 40 BFAB O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccccc1F 4858530 WJSFUWIGJYCFAX-OPQQBVKSSA-N 233.286 2.744 0 40 BFAB O=C1C[C@H]2CCCC[C@H]2C12SCCS2 5975893 WGGVKUSALOMDKF-RKDXNWHRSA-N 228.382 2.942 0 40 BFAB COc1ccc(C)c(NC(=O)c2ccco2)c1 6815301 NHXBWDNQFMIFNF-UHFFFAOYSA-N 231.251 2.849 0 40 BFAB Cc1ccc(NC(=O)CCc2cccnc2)cc1 7917260 NWBVAOHYLGTDEH-UHFFFAOYSA-N 240.306 2.961 0 40 BFAB Nc1[nH]nc(-c2cccnc2)c1-c1ccccc1 8701308 TZULHGSEODUKME-UHFFFAOYSA-N 236.278 2.721 0 40 BFAB Cc1nc(NC(=O)C(F)(F)F)ccc1Cl 10119493 OFNDLTRTCJDLNW-UHFFFAOYSA-N 238.596 2.544 0 40 BFAB CSC(=S)c1cnc2ccccc2n1 16248609 QQUOFTMDWZJOCD-UHFFFAOYSA-N 220.322 2.668 0 40 BFAB Cc1ccc2nc(-c3cccnc3)[nH]c2c1 16348231 WVYGCHDGGVPIBU-UHFFFAOYSA-N 209.252 2.933 0 40 BFAB Cc1ccc(-c2nc(C(C)C)no2)cc1N 21516093 ZONOPCGUEIKWFN-UHFFFAOYSA-N 217.272 2.751 0 40 BFAB COCc1cc(Br)cc(COC)c1 34476267 BMXJQQHQFAZAJN-UHFFFAOYSA-N 245.116 2.742 0 40 BFAB CCC[C@@H](N)CN1CC[C@@H]2CCCC[C@@H]2C1 36873723 UAQKEJZZPGARJA-BFHYXJOUSA-N 224.392 2.626 0 40 BFAB c1ccc(-c2c[nH]c([C@@H]3CCCNC3)n2)cc1 36876501 CJTNKQZBZFDTLC-GFCCVEGCSA-N 227.311 2.544 0 40 BFAB CCc1cccc(NC(=O)N2CCCC2)c1 40070052 RYHYAYLHMIVYSG-UHFFFAOYSA-N 218.300 2.877 0 40 BFAB COc1ccc(-c2cc(C=O)ccn2)cc1 41226839 UIHQNAJUCHLWFI-UHFFFAOYSA-N 213.236 2.570 0 40 BFAB CCC[C@H](C)CN[C@@H](CC(C)C)C(=O)O 43432823 YWROCUZPDHDFNE-QWRGUYRKSA-N 215.337 2.512 0 40 BFAB NCCc1ccc(Cl)c(C(F)(F)F)c1 44396589 VQDAMHFYKGEPDG-UHFFFAOYSA-N 223.625 2.860 0 40 BFAB Cc1cccc(OCC(=O)N[C@@H](C)C(C)C)c1 49535285 USCFOASJCWFNFR-LBPRGKRZSA-N 235.327 2.535 0 40 BFAB Cc1noc([C@H](C)N(C)CCc2ccccc2)n1 51999968 ANLYMCYTBJJXNG-NSHDSACASA-N 245.326 2.614 0 40 BFAB CN(C)C(=O)c1csc(-c2cccs2)n1 65539467 ZRWIANRDPNVUGF-UHFFFAOYSA-N 238.337 2.573 0 40 BFAB Cc1cc(N)c(N)c(Br)c1Cl 70461518 CEODAIFKGQCMKC-UHFFFAOYSA-N 235.512 2.575 0 40 BFAB Nc1cc2cc(Br)ccc2[nH]1 82952767 SIEHQTJEKMQJQV-UHFFFAOYSA-N 211.062 2.513 0 40 BFAB FC(F)(F)c1cccnc1NN1CCCCC1 95081585 SYONDJBPYOYRBG-UHFFFAOYSA-N 245.248 2.913 0 40 BFAB CCOc1ccc(OC)cc1Br 95915486 YGAKEHPEXSNMRE-UHFFFAOYSA-N 231.089 2.856 0 40 BFAB CCOC(=O)[C@H]1CCC[C@@H]1NC1CCCCC1 95919670 IUMVOSJRWKNYJX-STQMWFEESA-N 239.359 2.641 0 40 BFAB CCCn1cc(NC(=O)C[C@@H]2C=CCC2)cn1 96431416 GKBOIQVXWIKREO-LLVKDONJSA-N 233.315 2.588 0 40 BFAB CCOc1ccc(Cn2ccnc2C(C)C)nc1 97236181 GNXXFGTWWGXKLP-UHFFFAOYSA-N 245.326 2.849 0 40 BFAB C[C@H](NC(=O)C(C)(C)C)[C@H]1C[C@@H]2CC[C@@H]1C2 100846402 OQNMQGCHGSHCCA-IRCOFANPSA-N 223.360 2.973 0 40 BFAB C[C@H](C[C@@H]1N[C@@H](C(=O)O)CS1)CC(C)(C)C 105536057 VZWJVYMROVOSTA-OPRDCNLKSA-N 245.388 2.565 0 40 BFAB CN(C)c1[nH]ncc1-c1ccc(Cl)cc1 196051377 PQJWHUKJGPERDG-UHFFFAOYSA-N 221.691 2.796 0 40 BFAB CCCOc1ccc2c(c1)c(CNC)c(C)n2C 223759685 IGVIRDVVTHHCGF-UHFFFAOYSA-N 246.354 2.995 0 40 BFAB Cc1ccc([C@@H](O)c2ccc(C)c(N)c2)cc1 226292101 KOVAUGOVLIYDCL-OAHLLOKOSA-N 227.307 2.967 0 40 BFAB C[C@@H]1C[C@H](N)CC[C@H]1C[C@H]1CC[C@@H](N)C[C@H]1C 247836692 NTGJOYPFNABNES-PLJUSGQGSA-N 238.419 2.904 0 40 BFAB CC[C@@H](C)n1ccc(NCc2cnn(C)c2C)n1 256054695 XJVXUUSOBPWXMW-SNVBAGLBSA-N 247.346 2.508 0 40 BFAB COC(=O)c1[nH]ccc1-c1cccc(C)c1 258130605 NQKIRROFVWETJK-UHFFFAOYSA-N 215.252 2.777 0 40 BFAB C[C@H](CC(=O)O)n1ccc(-c2ccccc2)n1 408716644 PBWAWMCVUKFZOU-SNVBAGLBSA-N 230.267 2.586 0 40 BFAB Cc1cc[n+]2c(-c3ccccc3)csc2n1 1648644 UPZRAWICQJMFJC-UHFFFAOYSA-N 227.312 2.857 0 40 BFAB C[C@@](O)(c1ccccc1)[C@H](O)c1ccccc1 1720245 KVDNJQJZESZZST-HUUCEWRRSA-N 228.291 2.628 0 40 BFAB in-vitro C[C@H](O)CO[C@H](C)CO[C@@H](C)c1ccccc1 4428649 JINFSJZGAKHWFX-XQQFMLRXSA-N 238.327 2.550 0 40 BFAB COc1cc(C(=O)N[C@H](C)C2CC2)ccc1C 8704339 HLGWRQGZAGIYQQ-SNVBAGLBSA-N 233.311 2.532 0 40 BFAB Cc1cc(NC(=O)N[C@H]2CCCC[C@H]2C)no1 9366093 FRXVSEQDCJXPHV-SCZZXKLOSA-N 237.303 2.683 0 40 BFAB CCCCNC(=O)CCc1ccc(C)cc1 10339152 BSTORVXEWADWIY-UHFFFAOYSA-N 219.328 2.844 0 40 BFAB COc1ccc(NC2=N[C@H](C)CS2)cc1 16740135 JMAMQDDYSJAJNX-MRVPVSSYSA-N 222.313 2.598 0 40 BFAB COc1cc(CNCc2cccnc2)ccc1F 16941732 NRWAYEUJTZQXCF-UHFFFAOYSA-N 246.285 2.519 0 40 BFAB CCCNCc1ccc(OC(C)C)cc1 32011864 DVZWFGDCJXANSU-UHFFFAOYSA-N 207.317 2.973 0 40 BFAB O=C(CCc1cccs1)NC1CCCC1 32675803 JNHLBOAJXKBQOT-UHFFFAOYSA-N 223.341 2.740 0 40 BFAB Cc1ccc(CN(C)C[C@H](O)c2ccccc2)o1 33015016 VCHUPMJGKSAHAJ-HNNXBMFYSA-N 245.322 2.753 0 40 BFAB COC(=O)c1cc(-c2ccccc2Cl)[nH]n1 35234449 WYXZSFZLTLCERD-UHFFFAOYSA-N 236.658 2.517 0 40 BFAB in-vitro OCCCCOc1ccc(Br)cc1 35650234 KXLMJVOKCWYTBU-UHFFFAOYSA-N 245.116 2.600 0 40 BFAB Cc1ccc(C)c(NC2CCOCC2)c1 36304105 HLTYDNBBVRCSNF-UHFFFAOYSA-N 205.301 2.894 0 40 BFAB O[C@@H]1CCC[C@@H]1Nc1ccccc1Cl 37689905 YXXTYANVBPPGJY-WDEREUQCSA-N 211.692 2.665 0 40 BFAB Cc1cc(CN(CCC(C)C)C2CC2)on1 47912179 VMSPFBFASCJBDR-UHFFFAOYSA-N 222.332 2.994 0 40 BFAB Cc1cn(CC(=O)N2CCCC2)c2ccccc12 50535484 ILIUXVPOZHRSCT-UHFFFAOYSA-N 242.322 2.572 0 40 BFAB O=C(c1cc(F)cc(Cl)c1O)C1CC1 52068535 DRMMXFSEJOQSSE-UHFFFAOYSA-N 214.623 2.777 0 40 BFAB Cc1ccccc1CSCC(=O)NC(C)C 58172203 GKYAYGKKEPMBOH-UHFFFAOYSA-N 237.368 2.753 0 40 BFAB C[C@H](O)[C@H](C)c1ccc2ccccc2n1 63039745 LLDUNGXDOXONAX-UWVGGRQHSA-N 201.269 2.719 0 40 BFAB in-vitro FC(F)(F)c1ccnc(N2CCCC2)c1 80761568 UGHCMLSCHXEAKI-UHFFFAOYSA-N 216.206 2.701 0 40 BFAB CCOC(=O)Cc1ccc(SCC)cc1 82721806 GLFFKIVJNHWDNB-UHFFFAOYSA-N 224.325 2.904 0 40 BFAB CO[C@@H]1CCCC[C@H]1CCNCC1CCC1 85395941 ZHGKGBHCJDLRPG-UONOGXRCSA-N 225.376 2.971 0 40 BFAB CC(=O)N1CC(C)(C)Sc2ccccc21 88241229 RETJDZWGFMIQCB-UHFFFAOYSA-N 221.325 2.924 0 40 BFAB O=C(C1CC1)N1CCC2(CCCCC2)CC1 89818562 ZMJYTISNACKKAW-UHFFFAOYSA-N 221.344 2.969 0 40 BFAB FC(F)Sc1ccccc1Cn1cncn1 95399790 HTXXLVLWGDPPGX-UHFFFAOYSA-N 241.266 2.641 0 40 BFAB CCCC(CCC)N1CCC(CO)CC1 95457017 INWDYYAXSXNOIB-UHFFFAOYSA-N 213.365 2.660 0 40 BFAB C1CCN[C@@H](c2noc(C3CCC3)n2)CC1 96001576 UURNWOATZRSETM-SNVBAGLBSA-N 221.304 2.542 0 40 BFAB OC12CC3C[C@H](C1)C(NC1CCCCC1)[C@H](C3)C2 100208502 ZOYWVRYFHBNIDA-GEMCICMRSA-N 249.398 2.848 0 40 BFAB O=C(O)c1ccc(OCC(F)F)cc1Cl 130997243 VKRMRVJTDJXMAK-UHFFFAOYSA-N 236.601 2.682 0 40 BFAB Cc1occc1S[C@H](C(=O)N(C)C)C(C)C 131467124 OJEIIVVHHKNIGH-NSHDSACASA-N 241.356 2.793 0 40 BFAB CCC(=O)O[C@@H]1C[C@@H]2C[C@H]1[C@@H]1CC=C[C@@H]21 195806851 BLBJUGKATXCWET-HHHUOAJASA-N 206.285 2.540 0 40 BFAB biogenic CC(C)[C@@H]1C[C@]2(C)C(=O)CCCC[C@@H]2N1 212418171 XGVOMDURAOCJHV-GVXVVHGQSA-N 209.333 2.522 0 40 BFAB biogenic CNc1cccnc1N(C(C)C)C(C)C 252508207 XGFISLIEHZZWLG-UHFFFAOYSA-N 207.321 2.747 0 40 BFAB CCCN(c1ccc(CC)cc1)[C@H](C)C(=O)O 260679435 MWLUJLQLUMURMA-LLVKDONJSA-N 235.327 2.939 0 40 BFAB COc1c(F)cccc1C(=O)C1CCC1 382741705 ZVIMWNMGCZDDGY-UHFFFAOYSA-N 208.232 2.817 0 40 BFAB CC(=O)c1c(F)cccc1N1CC[C@@](C)(F)C1 390834646 KQCHMNGNVZYJCX-CYBMUJFWSA-N 239.265 2.967 0 40 BFAB CC[C@@H](C)C(=O)Nc1cc(OC)ccc1OC 363758 DQHVTOQZTUOPHD-SECBINFHSA-N 237.299 2.688 0 40 BFAB O=C(Cc1ccccc1)Nc1ncccc1Cl 484463 PAYSWQUYCSMMNI-UHFFFAOYSA-N 246.697 2.916 0 40 BFAB CC(=O)Oc1cc2c(c3ccccc13)CCC2=O 1561977 HOYFKYFYIABQLO-UHFFFAOYSA-N 240.258 2.894 0 40 BFAB CCCCCOC(=O)c1ccccc1C=O 1689283 PDGGZYAHFPPDLT-UHFFFAOYSA-N 220.268 2.846 0 40 BFAB CCC(C)(C)c1cccc(C(=O)O)c1O 1701225 VENCMOIGQAVUMK-UHFFFAOYSA-N 208.257 2.778 0 40 BFAB CCCCN[C@H]1[C@H]2CC[C@@](C)([C@@H]1O)C2(C)C 4726531 RCCQWTLKSKHQCZ-CZXHOFHRSA-N 225.376 2.562 0 40 BFAB O=[S@](C[C@H](O)c1ccccc1)c1ccccc1 5104732 HDGGJVKMRKWGGQ-YOEHRIQHSA-N 246.331 2.528 0 40 BFAB CC/C=C1\SC(/C(C#N)=C/CC)=NC1=O 5385052 ANSHSNUOWSXFIM-OWNHSFIXSA-N 220.297 2.812 0 40 BFAB CCN(CC)CCSc1ccccn1 6350038 AAXWVESOOABLCJ-UHFFFAOYSA-N 210.346 2.516 0 40 BFAB Fc1ccc([C@H]2NCCOc3ccccc32)cc1 11802756 IWUNDLZGGUDCNH-OAHLLOKOSA-N 243.281 2.897 0 40 BFAB C[C@H](NC(=O)NCC1CC1)c1ccccc1F 12985367 DDJWEOWIZMAABG-VIFPVBQESA-N 236.290 2.596 0 40 BFAB Cc1cc(C)n(-c2cccc(Cl)c2C=O)n1 20079217 KHRZAWZQYOTRJG-UHFFFAOYSA-N 234.686 2.955 0 40 BFAB C[C@H]1CCCN([C@@H](CN)c2cccc(F)c2)C1 22163609 AQJWATPQMKGMEX-FZMZJTMJSA-N 236.334 2.557 0 40 BFAB CCCC[C@H](CC)C(=O)Nc1ccon1 28225636 KWNFMWYRFFWYIJ-VIFPVBQESA-N 210.277 2.830 0 40 BFAB CC(C)NC(=O)c1cc(F)ccc1-n1cccc1 32089899 WJTUEJCKGLYLHF-UHFFFAOYSA-N 246.285 2.755 0 40 BFAB Cc1cc(C)nc(N2CCc3ccccc32)n1 32769730 WQAOMMSEBGAKKV-UHFFFAOYSA-N 225.295 2.788 0 40 BFAB C[C@H](CSCc1ccccc1)C(=O)O 34535238 KARSURQOGRNRLB-SECBINFHSA-N 210.298 2.641 0 40 BFAB in-vitro COc1ccc(CNc2nc(C)cc(C)n2)cc1 35206234 XCYHPNHFRLDWRS-UHFFFAOYSA-N 243.310 2.714 0 40 BFAB CSCc1cccc(C(=O)Nc2cn[nH]c2)c1 35237722 WLYMZIQKLWQICH-UHFFFAOYSA-N 247.323 2.525 0 40 BFAB Clc1nccc2[nH]cc(Br)c12 35270083 FZERBVKCXSYQLC-UHFFFAOYSA-N 231.480 2.979 0 40 BFAB Cc1c(C=O)c(C=O)c(C)n1-c1ccc(F)cc1 36245386 KMNQEDJFCIGVAF-UHFFFAOYSA-N 245.253 2.858 0 40 BFAB COc1ccc(CC(=O)c2cccnc2)cc1 38125314 RLFQYYQWEAFLSU-UHFFFAOYSA-N 227.263 2.516 0 40 BFAB CC1=NN=C2C[C@](C)(O)C[C@@H](c3ccccc3)[C@H]12 39699197 JWURESHMKSCKFL-AEGPPILISA-N 242.322 2.762 0 40 BFAB CS[C@H](CN)c1cccc(Cl)c1 43019623 WFKVGLKWRNPJIE-SECBINFHSA-N 201.722 2.703 0 40 BFAB in-vitro O=C(O)c1cccc(CC(=O)c2ccccc2)c1 43214129 HTDCVDAWNDDIMJ-UHFFFAOYSA-N 240.258 2.810 0 40 BFAB CCOC(=O)CC(C)(C)c1ccccc1 43503532 IUGOXVKEXBCOIS-UHFFFAOYSA-N 206.285 2.917 0 40 BFAB Cc1ccccc1C(=O)[C@H]1CC[C@@H](C(=O)O)C1 43878947 SEMXCWRNKUCYJO-WDEREUQCSA-N 232.279 2.679 0 40 BFAB O=C(CC[C@H]1CCCCN1)Nc1ccccc1 50931148 QSTCIRPBLUAFRO-GFCCVEGCSA-N 232.327 2.547 0 40 BFAB Clc1n[nH]c(-c2ccccc2Cl)n1 66442595 SQOOCXKEAOZMFU-UHFFFAOYSA-N 214.055 2.779 0 40 BFAB Cc1nc(N)ccc1[C@@H]1CCCN1C(C)C 72218559 ADBPZTLDCNLVHP-LBPRGKRZSA-N 219.332 2.518 0 40 BFAB Cc1cccc(C2CCN(C(C)C)CC2)n1 72356952 COCRCKDYICLEJG-UHFFFAOYSA-N 218.344 2.978 0 40 BFAB O=C(O)[C@@H]1CCCCCN1Cc1ccccc1 80991739 GRUPWODJNNRENK-ZDUSSCGKSA-N 233.311 2.516 0 40 BFAB CN(C)C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 101232247 OIDHBPAONDJGMN-GXFFZTMASA-N 224.348 2.569 0 40 BFAB CC(C)C(=O)N[C@H]1C[C@@H]2CC[C@]1(C)C2(C)C 104382039 ZPPVUKKGSHDRRV-MJVIPROJSA-N 223.360 2.973 0 40 BFAB CCC(=O)NCCOc1ccccc1C(C)C 110507712 FQTCPRZRJRUWRP-UHFFFAOYSA-N 235.327 2.715 0 40 BFAB CC(=O)c1cc(F)c(N)c(Cl)c1C 199544306 AGLCOPOWPQOTNF-UHFFFAOYSA-N 201.628 2.572 0 40 BFAB O=C(c1cccs1)N1[C@H]2C=CC[C@H]1CC2 206912184 DBOXBZMOXZLSHU-UWVGGRQHSA-N 219.309 2.681 0 40 BFAB CC(C)N(c1ccc(N)cc1C(=O)O)C(C)C 216852271 QPCDTRJTQSTXQQ-UHFFFAOYSA-N 236.315 2.590 0 40 BFAB Clc1onc2c1C[C@H]1[C@H](C2)C1(Cl)Cl 219772496 HDKYAYCRFQZQFO-WHFBIAKZSA-N 238.501 2.847 0 40 BFAB CC(C)n1nccc1CNCc1cccs1 256053773 SUEUDIKZERVSEV-UHFFFAOYSA-N 235.356 2.815 0 40 BFAB CN(c1nc2ccc(F)cc2o1)C1CCC1 892693800 NDMLKNNCURDCPE-UHFFFAOYSA-N 220.247 2.956 0 40 BFAB CCOC(=O)c1cc2sc(C)cc2[nH]1 1338167 OWWISVHKUJKEQH-UHFFFAOYSA-N 209.270 2.715 0 40 BFAB O=C1CC(c2cccnc2)=Nc2ccccc2N1 1513543 ZOMWIGSNYJWPOV-UHFFFAOYSA-N 237.262 2.545 0 40 BFAB CCCC[C@H](CC)C(=S)N1CCOCC1 1600141 SYSRCHFQWHRZFW-NSHDSACASA-N 229.389 2.862 0 40 BFAB COc1cc(OC)c2cnc(Cl)cc2c1 1708664 BIULUAPDABAFAS-UHFFFAOYSA-N 223.659 2.905 0 40 BFAB CC(=O)Nc1ccc(Cc2ccc(O)cc2)cc1 1722742 SDGQUYHIRGKYJA-UHFFFAOYSA-N 241.290 2.941 0 40 BFAB CCCCCC(=O)Nc1cc(C)ccn1 4457727 DKKDRIBCTVZFKL-UHFFFAOYSA-N 206.289 2.909 0 40 BFAB COc1ccc(-c2nnc(C)s2)cc1 4691144 NOYFIDPBKRQWBU-UHFFFAOYSA-N 206.270 2.522 0 40 BFAB Cc1ccc(CSc2nnc([C@H](C)N)o2)cc1 5085936 GWBREIFLZCLPMU-VIFPVBQESA-N 249.339 2.690 0 40 BFAB CNC(=O)CC(c1ccccc1)c1ccccc1 5510414 DBUBYNLFHWVMRH-UHFFFAOYSA-N 239.318 2.955 0 40 BFAB in-vitro Cc1cc(C(F)(F)F)c2cc(C(=O)O)oc2n1 12481520 VGENDFLHNFJIGW-UHFFFAOYSA-N 245.156 2.853 0 40 BFAB in-vitro CC(C)CCNC(=O)Cc1noc2ccccc12 12729847 KVHWJLYIIGHTOT-UHFFFAOYSA-N 246.310 2.533 0 40 BFAB O=C(N[C@@H](c1ccccc1)C1CC1)C1CC1 12847238 TZOAOHYZHXPCPD-ZDUSSCGKSA-N 215.296 2.664 0 40 BFAB Cc1ccc(C(=O)N[C@H](C)c2cccs2)cn1 12981025 ZBZAKWFDNQQVJU-SNVBAGLBSA-N 246.335 2.943 0 40 BFAB COc1cccc(NCC(F)(F)F)c1 20055724 KVBSCPYTIJHXRX-UHFFFAOYSA-N 205.179 2.669 0 40 BFAB Cc1cccc(-c2noc(C3CCNCC3)n2)c1 20268744 ZPRTUGGOJBOFQK-UHFFFAOYSA-N 243.310 2.512 0 40 BFAB Cc1c(NC[C@@H](C)c2ccccc2)cnn1C 20351709 CBBBZXFQVWMRFU-LLVKDONJSA-N 229.327 2.944 0 40 BFAB Cc1ccsc1C(=O)NCc1ccco1 28466884 OOJKQCJHBLSUIT-UHFFFAOYSA-N 221.281 2.580 0 40 BFAB CC[C@@H](C)C(=O)Nc1ccsc1C(=O)OC 35177128 RFEUUDAFZMVGBJ-SSDOTTSWSA-N 241.312 2.519 0 40 BFAB O=Cc1ccc(N2CCCCC2=O)c(Cl)c1 35529348 HNQDHBNCVRTGAP-UHFFFAOYSA-N 237.686 2.669 0 40 BFAB CCOCCCC(=O)c1ccc(F)cc1 37329922 SGWVEUQFTIBIPG-UHFFFAOYSA-N 210.248 2.825 0 40 BFAB CCN[C@H](Cc1ccc(C)cc1)C1CC1 37992970 KQSGRAMLNUKHIP-CQSZACIVSA-N 203.329 2.926 0 40 BFAB in-vitro Cc1ccccc1CNC(=O)CC(C)C 45601954 BWBCTWNOCNYSBD-UHFFFAOYSA-N 205.301 2.657 0 40 BFAB CC(C)(C)NC(=O)CCc1ccc(F)c(F)c1 46114955 XWMLNLMUBSGWGD-UHFFFAOYSA-N 241.281 2.812 0 40 BFAB CC(C)[C@@H](C)NC[C@@H](C)C(=O)OC(C)(C)C 47219068 ZBHRSFGZNLNGSP-GHMZBOCLSA-N 229.364 2.598 0 40 BFAB C[C@H](C(=O)O)c1c(F)cc2ncccc2c1F 50888600 KGLPTUKGKASCTM-LURJTMIESA-N 237.205 2.701 0 40 BFAB CCCC[C@H](CC)C[C@H](S)C(=O)O 59584405 MQKUWGMWXVSSDB-IUCAKERBSA-N 204.335 2.976 0 40 BFAB O=C(c1cc(F)c(F)c(F)c1)c1ccco1 63005259 DUMAZTIEPUTQGC-UHFFFAOYSA-N 226.153 2.928 0 40 BFAB CCc1cccc2c(O[C@@H](C)C(=O)O)ccnc12 64874826 RKZMZAOPJRUCTF-VIFPVBQESA-N 245.278 2.649 0 40 BFAB Cc1ccnc([C@@H]2CCCN2C(C)C)c1 72211185 CGBTZIIAOGEYPR-ZDUSSCGKSA-N 204.317 2.935 0 40 BFAB Cc1ccccc1NC(=O)c1ccc[nH]1 72277258 RJPFSYBRXZJLTL-UHFFFAOYSA-N 200.241 2.575 0 40 BFAB N[C@@H](c1c(F)cccc1Br)C1CC1 75902614 HBJXCMCNKYCDTG-SNVBAGLBSA-N 244.107 2.998 0 40 BFAB Cc1cc(S[C@@H](C)C(C)C)n2ncnc2n1 78588818 AFGQFBSTHPXYRP-VIFPVBQESA-N 236.344 2.569 0 40 BFAB CCOCCC(=O)Nc1ccc2[nH]ccc2c1 79043184 JKRFLQGTFPTBLL-UHFFFAOYSA-N 232.283 2.533 0 40 BFAB NCCc1ccc(Br)cc1Cl 84530239 GYYRSYUPFKJPRT-UHFFFAOYSA-N 234.524 2.604 0 40 BFAB CC(=O)c1csc(C(=O)N2CCCCC2)c1 89291938 NGMSMDMQDAFPFI-UHFFFAOYSA-N 237.324 2.577 0 40 BFAB C[C@H]1CCCN(C(=O)C2CC=CC2)CC1 89929857 VOIVYXITHSRMIW-NSHDSACASA-N 207.317 2.601 0 40 BFAB C[C@@H]1CC(=O)c2c(O)c(Cl)cc(F)c21 90225654 YHSCBHAZNLOAQY-SCSAIBSYSA-N 214.623 2.875 0 40 BFAB Cc1ccnc(N[C@H]2CCOC3(CCCC3)C2)n1 95425686 MNKQYDLEDVDOHG-LBPRGKRZSA-N 247.342 2.689 0 40 BFAB COC(=O)CCC(=O)c1cc(F)cc(Cl)c1 95729483 GPKPBQUBZXCNTE-UHFFFAOYSA-N 244.649 2.615 0 40 BFAB C[C@H]1C[C@@H]2CCN(Cc3cccs3)C[C@H]2O1 96062525 YJSUDKPLPWIBKV-GMXVVIOVSA-N 237.368 2.747 0 40 BFAB COCC[C@@H](N[C@@H](C)c1ccco1)C(C)C 96479342 FYNFGUQRUFBRRC-NWDGAFQWSA-N 225.332 2.991 0 40 BFAB O=C(N[C@@H]1C[C@@H]2CC[C@@H]1C2)c1ccccc1 100791173 OMKJOVVKLPKENU-RAIGVLPGSA-N 215.296 2.605 0 40 BFAB CCC(=O)Nc1cc(-n2cccn2)ccc1C 191447776 KZDHASVUXOKWBB-UHFFFAOYSA-N 229.283 2.529 0 40 BFAB Cc1cc(CN(C)Cc2ccncc2)c(C)o1 195561979 ZQIVIBQXSBTZDU-UHFFFAOYSA-N 230.311 2.923 0 40 BFAB CCOC(=N)CCc1ccc(OC)cc1 196759028 OJSGYWFHMCCHRJ-UHFFFAOYSA-N 207.273 2.642 0 40 BFAB O=Cc1ncc(-c2cccc(F)c2)s1 199792426 KPKOWHXAXXIABV-UHFFFAOYSA-N 207.229 2.762 0 40 BFAB CCNCc1c(C)n(C)c2ccc(OCC)cc12 223762280 XIECBDMBTACELN-UHFFFAOYSA-N 246.354 2.995 0 40 BFAB Sc1ccc2c(c1)CN1CCCC1=N2 256051605 JVCMLPLTZJCGDE-UHFFFAOYSA-N 204.298 2.615 0 40 BFAB CSCCCSC[C@H]1CCCO1 336634791 HPDDJMYYTFFQEI-SECBINFHSA-N 206.376 2.652 0 40 BFAB Cc1ccncc1N(C)C(=O)CC1(C)CC1 572699433 OFOWHHXUWYIYFY-UHFFFAOYSA-N 218.300 2.543 0 40 BFAB CCc1c(C)[nH]c2cccc(CC)c2c1=O 685938799 YMUBHFAHPPHVBR-UHFFFAOYSA-N 215.296 2.961 0 40 BFAB O=[P@](O)(Oc1ccccc1)c1ccccc1 1621972 MSVORCUEJCHPKS-UHFFFAOYSA-N 234.191 2.576 0 40 BFAB COc1ccc([C@@]2(C)OCC[C@H](C)O2)cc1 1677997 SAAUIEUMQNCILJ-GWCFXTLKSA-N 222.284 2.693 0 40 BFAB CN(C)CCO[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C 4411305 FFSUJINLERSHGM-BZPMIXESSA-N 225.376 2.779 0 40 BFAB CC1=CO[C@](C)([C@H]2NC(C)(C)C[C@H](C)O2)CC1 4705822 VRXXEZCAJXPBHD-OBJOEFQTSA-N 239.359 2.962 0 40 BFAB O=C(O)/C=C\c1ccc(C(F)(F)F)cc1 6132665 ANRMAUMHJREENI-UTCJRWHESA-N 216.158 2.803 0 40 BFAB COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H]1C 9647623 SINRAOCJXRTBQW-VXNVDRBHSA-N 239.702 2.943 0 40 BFAB Cc1[nH]c2ccccc2c1C(=O)NCC(C)C 12977778 LXYJENFXAROYLU-UHFFFAOYSA-N 230.311 2.862 0 40 BFAB N[C@@H](c1ccccc1)c1ccc(F)cc1 16082950 ABIODEXADJARAO-ZDUSSCGKSA-N 201.244 2.874 0 40 BFAB CC1(c2cccc(Br)c2)OCCO1 19926741 BMECYBCLXRLALS-UHFFFAOYSA-N 243.100 2.669 0 40 BFAB CC[C@H](C)NC1CC(C)(C)NC(C)(C)C1 20143415 SBSPATXLLSMWKH-JTQLQIEISA-N 212.381 2.684 0 40 BFAB Cc1ccc(-c2nc(C)c(CCN)s2)cc1 20273814 HWDUUGGQESOWLV-UHFFFAOYSA-N 232.352 2.928 0 40 BFAB CCC(=O)CC(=O)c1ccc(C)c(C)c1 20375934 WTEXAFIUWOXIJA-UHFFFAOYSA-N 204.269 2.855 0 40 BFAB c1ccc2c(c1)CCN(Cc1ccncc1)C2 23281801 BRIDHXFLMQJVFC-UHFFFAOYSA-N 224.307 2.640 0 40 BFAB O=C(CSC1CCCC1)Nc1nccs1 28204251 HWFZFPAETVHPQH-UHFFFAOYSA-N 242.369 2.757 0 40 BFAB O[C@@H](CNCc1ccccc1)c1cccs1 32089711 NBWPQIFSGTYSCZ-LBPRGKRZSA-N 233.336 2.571 0 40 BFAB CNCCSCc1ccc(Cl)cc1 36720694 RIUCOVXUXHFMBG-UHFFFAOYSA-N 215.749 2.793 0 40 BFAB c1ccc2nc(NC[C@@H]3CCOC3)ccc2c1 37988126 NVMACIVGTPYXNM-NSHDSACASA-N 228.295 2.683 0 40 BFAB CC(C)Cc1ccc([C@H](C)c2n[nH]c(N)n2)cc1 40162989 ZWUMAUZTKSMRBY-JTQLQIEISA-N 244.342 2.737 0 40 BFAB CC[C@H](C)n1c(C=O)nc2ccccc21 40163903 FCROJZBBXCOLIM-VIFPVBQESA-N 202.257 2.820 0 40 BFAB Cc1ccnn1-c1nc2ccccc2s1 45235770 YTZWLVAXZJMVEF-UHFFFAOYSA-N 215.281 2.790 0 40 BFAB Fc1ccccc1CNc1nccnc1S 45918649 DQLOKTFJWOZLBD-UHFFFAOYSA-N 235.287 2.517 0 40 BFAB Cn1ncc2c1N=C(O)C[C@@H]2c1cccs1 49545322 NMAZTUPCDNAHOC-ZETCQYMHSA-N 233.296 2.605 0 40 BFAB CC[C@H](N)c1cnc(N(CC)CC)cc1C 72223268 PUDSIXDVBRSWMK-LBPRGKRZSA-N 221.348 2.646 0 40 BFAB O=C1NCC/C1=C\c1ccc(C(F)(F)F)cc1 75172884 FHSYOTAYRALNBW-VQHVLOKHSA-N 241.212 2.609 0 40 BFAB Cc1cc(CN2CCS[C@@H](C(C)C)C2)no1 76066844 QSDPVGURJQAIAG-GFCCVEGCSA-N 240.372 2.556 0 40 BFAB CNC(=O)N1C[C@@H](C)C[C@@H]1c1cccc(F)c1 80597766 MPHUUXHBJIPKKJ-JOYOIKCWSA-N 236.290 2.548 0 40 BFAB CCC[C@@](C)(O)c1ccc(OC)c(F)c1 86336405 HUEHQQMWXOSWOM-GFCCVEGCSA-N 212.264 2.842 0 40 BFAB CC(C)CSCCCNC(=O)C1CCC1 95440560 DBIUKBVZAFYVDZ-UHFFFAOYSA-N 229.389 2.682 0 40 BFAB Cc1cc(Br)cc(C)c1CC(=O)O 95936393 ARQKHJYNMJGZET-UHFFFAOYSA-N 243.100 2.693 0 40 BFAB CNC(=O)CCCc1ccc2ccccc2c1 95986499 GVKVGFHKANZWRY-UHFFFAOYSA-N 227.307 2.909 0 40 BFAB CC(C)[C@@H]1OCC[C@H]1CNc1ccccn1 96453807 XVCYMPDDGVYKPL-AAEUAGOBSA-N 220.316 2.555 0 40 BFAB CCOC(=O)c1ccc(C)nc1C(F)F 96529397 NENPKFYVTVFWMS-UHFFFAOYSA-N 215.199 2.504 0 40 BFAB CC(=O)N([C@H](C)c1ccccc1)[C@@H]1C[C@H]1F 98181751 OCTBCPYJCKBUPG-OASPWFOLSA-N 221.275 2.707 0 40 BFAB O=C(NC[C@H]1C[C@@H]2CC[C@@H]1C2)c1cccs1 100936863 UMDFYPUNCLCKTA-GMTAPVOTSA-N 235.352 2.914 0 40 BFAB O=C(CCc1ccco1)c1ccc2c(c1)OCO2 199737386 VDZRSAWPDSAOHW-UHFFFAOYSA-N 244.246 2.824 0 40 BFAB Cc1cccc(C)c1N[C@H]1CCC[C@@H]1N 218879517 HAWVOAFXHQMBBY-RYUDHWBXSA-N 204.317 2.595 0 40 BFAB CNCCCNc1cc(C)nc2c(C)cccc12 222684475 RGEBNRQEFZDAHS-UHFFFAOYSA-N 243.354 2.873 0 40 BFAB Cc1ccc(-n2cccc2CCC(=O)O)cc1 223752331 PJANJJMOQSETCX-UHFFFAOYSA-N 229.279 2.803 0 40 BFAB COc1ccc([C@@H](O)c2ccc(C)c(N)c2)cc1 226292055 FXYFOZZGDIITLN-OAHLLOKOSA-N 243.306 2.668 0 40 BFAB Nc1cccc2ccc(C(F)(F)F)nc12 256052319 MVRQURRTFKWFET-UHFFFAOYSA-N 212.174 2.836 0 40 BFAB Clc1cccc2c1CN(Cc1cc[nH]n1)C2 290452331 MJCQPGVCKNESSO-UHFFFAOYSA-N 233.702 2.579 0 40 BFAB c1ccc(COc2cccc(C3CNC3)c2)cc1 307700047 LELFHYOBKOOGEX-UHFFFAOYSA-N 239.318 2.952 0 40 BFAB CCSc1nc(C)c2c(n1)CCCC2 409273524 RJZJZLFGSGGFMN-UHFFFAOYSA-N 208.330 2.776 0 40 BFAB CC(C)(C)c1ccc(O[C@@H]2CCSC2)nn1 585652635 QROODKZXNBSORA-SECBINFHSA-N 238.356 2.658 0 40 BFAB CCc1[nH]c2cccc(C)c2c(=O)c1C 685938744 VLVFWFWDLLVBHH-UHFFFAOYSA-N 201.269 2.707 0 40 BFAB FC1(F)CC[C@@H](Nc2nccc3nc[nH]c23)C1 714218452 PVDVJMQFUILIMS-SSDOTTSWSA-N 238.241 2.558 0 40 BFAB CN(c1cc(C(F)(F)F)ncn1)C1CCCC1 1888849868 DENJPXGJABWSCH-UHFFFAOYSA-N 245.248 2.874 0 40 BFAB Cc1ncn(-c2cc(Cl)cc(Cl)c2)n1 2362801747 QIRWCQKUNKAIQL-UHFFFAOYSA-N 228.082 2.883 0 40 BFAB Cc1ccccc1OC(=O)COc1ccccc1 148510 MCAORZBZTONBGH-UHFFFAOYSA-N 242.274 2.979 0 40 BFAB Cc1cccnc1N[C@H]1OC(=O)c2ccccc21 164885 HRGYUBXMOFMPQO-ZDUSSCGKSA-N 240.262 2.671 0 40 BFAB Nc1nc2ccccc2n1CCc1ccccc1 350159 PVVMFRWPQHLCJY-UHFFFAOYSA-N 237.306 2.861 0 40 BFAB CCOc1cnc(-c2ccc(F)cc2)o1 1404507 BGADCYHEEWQVEZ-UHFFFAOYSA-N 207.204 2.879 0 40 BFAB O=C(O)COc1c(Cl)cc(F)cc1Cl 1706132 HLXKPIIPUSQUSR-UHFFFAOYSA-N 239.029 2.596 0 40 BFAB O=C1N[C@]2(c3ccccc3)CCCC[C@@H]2O1 1712356 HAISAGDXNSXABB-AAEUAGOBSA-N 217.268 2.564 0 40 BFAB CCN(CC)CCOC(=O)CC1CCCCC1 1733977 LLMPZKFDXMVUBR-UHFFFAOYSA-N 241.375 2.842 0 40 BFAB CC(C)CCOC(=O)CCc1ccco1 2561200 ZVMWAVZRUZDYMV-UHFFFAOYSA-N 210.273 2.802 0 40 BFAB endogenous,in-man O[C@]12CCCC[C@@H]1[C@@H](Cc1ccccc1)NCC2 4698068 ZNBXUIHEGUGLBC-OAGGEKHMSA-N 245.366 2.512 0 40 BFAB biogenic,in-vitro O[C@H]1CCCC[C@@H]1O[C@@H]1CCc2ccccc2C1 4804203 URWHCJCJJUVQBA-PMPSAXMXSA-N 246.350 2.864 0 40 BFAB C[C@H]1CCCN(Cc2ccc(Cl)nc2)C1 5721156 FRHKQMBZERYYJW-JTQLQIEISA-N 224.735 2.967 0 40 BFAB Cc1ccc(C(=O)NN2[C@@H](C)CCC[C@@H]2C)cc1 6845055 INQHRNVCOKBROP-STQMWFEESA-N 246.354 2.903 0 40 BFAB CC(C)(C)c1ccccc1NC(=O)[C@@H]1CCCN1 11754427 FGMHPXKKOQGLGO-ZDUSSCGKSA-N 246.354 2.675 0 40 BFAB CC[C@H](Nc1ccc(OC)c(Cl)c1)C(=O)O 15418114 BGUMCXRPEMRRSE-VIFPVBQESA-N 243.690 2.624 0 40 BFAB Cc1ccc(C(=O)N2[C@H](C)CCC[C@H]2C)cc1N 22215544 RIHQBTAHEKTURT-VXGBXAGGSA-N 246.354 2.980 0 40 BFAB CCOC(=O)/C(F)=C(\F)c1ccc(F)cc1 26897085 PNGBOCWQTGDBOE-MDZDMXLPSA-N 230.185 2.996 0 40 BFAB O=c1ccc2cc(Cl)c(Cl)cc2[nH]1 34464461 PJQNCNSQIBZTQY-UHFFFAOYSA-N 214.051 2.835 0 40 BFAB Cc1cc(CN2CCC[C@H](C(F)(F)F)C2)on1 40475861 KOJCEVXFISSQQJ-VIFPVBQESA-N 248.248 2.757 0 40 BFAB CCCOc1ccc(CO)cc1Cl 43490138 WEVBLZLWPCIVKW-UHFFFAOYSA-N 200.665 2.621 0 40 BFAB Clc1cccc(S[C@H]2CCNC2)c1 54186230 DNZDAGFWCBBVEH-JTQLQIEISA-N 213.733 2.794 0 40 BFAB CC(C)N(C)CC(=O)NC1CCCCCCC1 58337974 UJQCCYVIZHHOFN-UHFFFAOYSA-N 240.391 2.556 0 40 BFAB CC(C)N(C[C@H]1C[C@@H]1C)C(=O)Nc1cccnc1 72304747 XTCZSNUMKVPPMI-NWDGAFQWSA-N 247.342 2.980 0 40 BFAB NC(=O)[C@@H]1C[C@@H]1c1c(Cl)cccc1Cl 72406716 CFLBFLXWOILGEH-NTSWFWBYSA-N 230.094 2.582 0 40 BFAB c1nc(NC2CCCCC2)c2cc[nH]c2n1 82358955 PYJJUDUITNKOSL-UHFFFAOYSA-N 216.288 2.703 0 40 BFAB O=c1[nH]c2ccc(-c3ccccc3)cc2[nH]1 85399013 HMJMLMGHUONOEL-UHFFFAOYSA-N 210.236 2.523 0 40 BFAB CCCC(=O)N1CCC[C@H](Nc2ccccc2)C1 89949362 OVNFRTNHSNUWSR-AWEZNQCLSA-N 246.354 2.890 0 40 BFAB Cc1ccc(OC(=O)OC(C)(C)C)cn1 95939446 GUDBTMKEQADNSO-UHFFFAOYSA-N 209.245 2.704 0 40 BFAB Cc1cccc(NCCc2ccncc2C)n1 97163395 HUEVCYDBXSVVHW-UHFFFAOYSA-N 227.311 2.748 0 40 BFAB Cc1c(F)ccc(CO)c1C(F)(F)F 98210795 GLTIGXNLFNIAAX-UHFFFAOYSA-N 208.154 2.645 0 40 BFAB C[C@H]1CCCC[C@H]1CNCC[C@@H](C)[S@](C)=O 134860306 AQZKKLMLDCRYCP-RSUWNVLCSA-N 245.432 2.559 0 40 BFAB CCOC(=N)c1cc(Br)ccc1F 228916405 NZEDGJOBOGZILQ-UHFFFAOYSA-N 246.079 2.950 0 40 BFAB CC1CCN(c2nnc(C(C)C)s2)CC1 301715196 ZUUUAVIFESVIPM-UHFFFAOYSA-N 225.361 2.898 0 40 BFAB Nc1cc(Br)cc2ccncc12 1857790652 ZRKNMBYFRJJIFF-UHFFFAOYSA-N 223.073 2.580 0 40 BFAB Cc1cccnc1NC(=N)Nc1ncccc1C 1571139 IGOZXVQFJKKPQT-UHFFFAOYSA-N 241.298 2.552 0 40 BFAB c1ccc(CNc2nnnc3ccccc23)cc1 1734405 PSSYOGXNMTVLKM-UHFFFAOYSA-N 236.278 2.637 0 40 BFAB O=C(NC1CCCCCCC1)C(F)(F)F 5290030 RBCKCODVUGYNGC-UHFFFAOYSA-N 223.238 2.778 0 40 BFAB COC(=O)c1cc(C)nc2c(C)cccc12 6318529 WDZVLUXSSCASEF-UHFFFAOYSA-N 215.252 2.638 0 40 BFAB CCOc1ccc(-n2c(C)ccc2C=O)cc1 9261677 YODAQTDQBDLBEU-UHFFFAOYSA-N 229.279 2.997 0 40 BFAB Cc1ccc(/C(=C/C(=O)O)C2CC2)cc1 11628537 YXTBYLXKPMDEAR-WQLSENKSSA-N 202.253 2.873 0 40 BFAB C[C@@H]1C[C@@H](C)CN(Cc2ccccc2C(=O)O)C1 11890739 NMVAWPXCSGVDPE-VXGBXAGGSA-N 247.338 2.863 0 40 BFAB CC(C)(C)c1ccc2[nH]c(=O)c(C=O)cc2c1 11956149 GGWCVKXTBJCDNV-UHFFFAOYSA-N 229.279 2.638 0 40 BFAB CCc1sc(=N)n(C)c1-c1ccc(OC)cc1 19894561 WEPQZJRAISIKRX-UHFFFAOYSA-N 248.351 2.804 0 40 BFAB CCc1ccc(C(=O)c2cccnc2)cc1 22121726 CAVOJUVKQYRYSQ-UHFFFAOYSA-N 211.264 2.875 0 40 BFAB in-vitro O=C(O)c1ccc(CCC(F)(F)F)cc1 34101506 QDORDVFNPUQXDL-UHFFFAOYSA-N 218.174 2.880 0 40 BFAB in-vitro O=C1COc2cc(OCc3ccccc3)ccc21 39121457 BJHOIWIKUDSVQJ-UHFFFAOYSA-N 240.258 2.841 0 40 BFAB in-vitro CCc1ccc(C(=O)N2CCC[C@H](C)C2)o1 40510965 DXIMDALYKMLDAX-JTQLQIEISA-N 221.300 2.714 0 40 BFAB c1ccc2c(OCC3CCNCC3)ccnc2c1 51869976 XXUDFPBQCANFQX-UHFFFAOYSA-N 242.322 2.613 0 40 BFAB COc1ccc(Cl)cc1[C@H]1CCC[C@@H]1O 55230325 CXJNUPXAMFBSRW-KOLCDFICSA-N 226.703 2.977 0 40 BFAB Cc1noc(NCc2ccccc2Cl)n1 57353886 BOALRMVIADVQBU-UHFFFAOYSA-N 223.663 2.644 0 40 BFAB CC(C)c1nnc(CN(C)c2ccccc2F)o1 60378857 QVEGWCIYSOSAEJ-UHFFFAOYSA-N 249.289 2.969 0 40 BFAB COc1ccc([C@H]2OC(=O)c3ccccc32)cc1 70453591 NOAMEKHNBPDNLP-CQSZACIVSA-N 240.258 2.955 0 40 BFAB Nc1ccc(-c2nc(C3CC3)no2)cc1Cl 70602047 HDPJGXXWWLECCO-UHFFFAOYSA-N 235.674 2.850 0 40 BFAB in-vitro CCCCC[C@@H](C)NC(=O)N1CCCC1 71800790 XDEVKNBZNXYESR-LLVKDONJSA-N 212.337 2.761 0 40 BFAB CC(C)Oc1ccc([C@@H]2CCCN2C)cn1 72211884 PCUFORPUSGQGKU-LBPRGKRZSA-N 220.316 2.636 0 40 BFAB CCCNc1ncc([C@@H](O)CC)cc1C 72222174 WHUNNGMBPBCJRS-NSHDSACASA-N 208.305 2.655 0 40 BFAB CSc1nc2ccc(C=O)cc2s1 72233332 GWNYNEAMWXQJBE-UHFFFAOYSA-N 209.295 2.831 0 40 BFAB CCCCN(C)C(=O)c1ccc2nccnc2c1 74696755 BBDFGQMRPIFENW-UHFFFAOYSA-N 243.310 2.502 0 40 BFAB CC(C)[C@H](C)CC(=O)N[C@@H]1CCC[C@H]1C 84691760 NKVNHQJBZCFEHP-IJLUTSLNSA-N 211.349 2.973 0 40 BFAB Cc1csc(CNc2cnn(C(C)C)c2)n1 92564908 LKABGDSAGJXEGF-UHFFFAOYSA-N 236.344 2.841 0 40 BFAB COC[C@@H](C)Nc1ccnc2ccsc12 95407704 SOKDHFIZQJACAD-MRVPVSSYSA-N 222.313 2.743 0 40 BFAB CC(C)(C)c1coc(Br)n1 96529265 DXOBFQGZJDFOOG-UHFFFAOYSA-N 204.067 2.735 0 40 BFAB C[C@@H](CCCO)N[C@@H](C)Cc1ccc(F)cc1 97017293 BDXUMXAGHFRTIA-RYUDHWBXSA-N 239.334 2.507 0 40 BFAB Cc1nccc(NC(=O)N[C@@H]2C[C@@H]2C)c1Cl 97096184 JLSZEEULSNZDHA-IMTBSYHQSA-N 239.706 2.573 0 40 BFAB c1ccc2c(c1)ncn1nc(C3CCC3)nc21 97105514 UQBQCLQIHVTJKD-UHFFFAOYSA-N 224.267 2.545 0 40 BFAB CC(C)CCc1nnc(NCc2cccnc2)o1 97231407 DSCXRJROZVBGBY-UHFFFAOYSA-N 246.314 2.665 0 40 BFAB O=C1c2cc(F)ccc2OC[C@H]1c1cccnc1 103231178 AWTGRDYTUFOKOH-LBPRGKRZSA-N 243.237 2.580 0 40 BFAB CC(=O)OCCc1cccc(Br)c1 143276653 GNAAMZAIXVECEW-UHFFFAOYSA-N 243.100 2.555 0 40 BFAB CCCC(=O)NC[C@@H]1CCCN1c1ccccc1 206784676 LXLPQIHZVVNPIO-AWEZNQCLSA-N 246.354 2.572 0 40 BFAB CCO[C@@H](Cc1ccc(C(C)C)cc1)C(=O)O 225046975 VZYKQWKOOSYJEF-ZDUSSCGKSA-N 236.311 2.842 0 40 BFAB O=C1CCCc2ccc(OC(F)F)cc21 228897643 WGYJLMXFIOSSLK-UHFFFAOYSA-N 212.195 2.807 0 40 BFAB CC1(C)C[C@]2(CCCN2)CN1c1cccc(F)c1 1615161931 YHNMTOMXYABRPA-OAHLLOKOSA-N 248.345 2.937 0 40 BFAB O=C1OC2(CCCCC2)O[C@H]1c1ccccc1 162754 UNCBRBCEGDMXEG-LBPRGKRZSA-N 232.279 2.962 0 40 BFAB biogenic CCOC(=O)/C=C/c1cc(F)ccc1F 2383967 CLINBLOBAIWBEQ-ZZXKWVIFSA-N 212.195 2.541 0 40 BFAB in-vitro Cc1ccc(Cl)c(/C=C/C(=O)O)c1F 2504910 MUGWBDDSSSTZQJ-HWKANZROSA-N 214.623 2.885 0 40 BFAB N=c1[nH]/c(=N/c2ccc(Cl)cc2)ss1 5569348 WPNJBHQXHXVALS-UHFFFAOYSA-N 243.744 2.503 0 40 BFAB O=C(Nc1nc2ccc(F)cc2s1)C1CC1 6322650 XXNOQKJQGOFDDX-UHFFFAOYSA-N 236.271 2.784 0 40 BFAB Cc1ccccc1CC(=O)Nc1ccccc1O 9478212 RSVTWNDKJLXHFB-UHFFFAOYSA-N 241.290 2.882 0 40 BFAB Cc1ccccc1CSc1nc(=O)[nH]cc1C 15952217 WUPRXKFDTRDCDB-UHFFFAOYSA-N 246.335 2.679 0 40 BFAB S=C1[C@@H]2CCC[C@H]2N=C2c3ccccc3CN12 16756648 NDRSTSINJROXCG-VXGBXAGGSA-N 242.347 2.759 0 40 BFAB Cc1noc(N)c1-c1cccc(Cl)c1 19045580 FPZYVCHIGUSBEM-UHFFFAOYSA-N 208.648 2.886 0 40 BFAB c1ccc2c(c1)CCCN2C[C@@H]1CCCCN1 19506590 HXGLVMGISUPSEM-AWEZNQCLSA-N 230.355 2.581 0 40 BFAB C[C@@H]([C@@H](O)c1ccccc1)N1CCCCC1 34027751 CYPOTTRENVPAPL-GXTWGEPZSA-N 219.328 2.594 0 40 BFAB Cc1cc(Br)cc2ccc(=O)[nH]c12 34164999 NRTSKZZQWFZTTG-UHFFFAOYSA-N 238.084 2.599 0 40 BFAB CCOC(=O)c1csnc1-c1ccccc1 34511116 OIWFQDDZOVSDGS-UHFFFAOYSA-N 233.292 2.987 0 40 BFAB CCn1c(C)cc(=O)c2cc(Cl)ccc21 40164105 LFCPYKPWIGOPKC-UHFFFAOYSA-N 221.687 2.983 0 40 BFAB CCONC(=O)c1sc2ccsc2c1C 40514013 VXDCCEVSOMCMDU-UHFFFAOYSA-N 241.337 2.953 0 40 BFAB CCCCNC(=O)Nc1ccccc1COC 40527945 GMVATXKVSPSNOM-UHFFFAOYSA-N 236.315 2.755 0 40 BFAB Cc1noc(C)c1CN(C)Cc1ccco1 42366703 BXUVRFWWZUSELA-UHFFFAOYSA-N 220.272 2.516 0 40 BFAB Clc1ccc(Cl)c(OC[C@H]2CCNC2)c1 42772357 OETOYPWEYQAUDI-QMMMGPOBSA-N 246.137 2.982 0 40 BFAB O=Cc1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1 50478836 WJWMHABTLFVRMT-UHFFFAOYSA-N 230.311 2.690 0 40 BFAB in-vitro Cc1ccc(NC(=O)Cc2cccc(F)c2)nc1 57541810 RPSFQNLPYXGBEO-UHFFFAOYSA-N 244.269 2.710 0 40 BFAB c1cc([C@@H]2CCCCN2C2CCCC2)n[nH]1 72348418 YJPMDQFUBTUBTI-ZDUSSCGKSA-N 219.332 2.879 0 40 BFAB CCSCC[C@H](C)N(C)C(=O)c1ccc[nH]1 75380621 IWABDFJPIVPJDD-JTQLQIEISA-N 240.372 2.618 0 40 BFAB C[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1ccon1 75837884 RIDCMWWEBZUAEV-MDZLAQPJSA-N 220.316 2.828 0 40 BFAB CN1CCC[C@@H]1SC(F)(F)C(F)(F)F 91252720 RWIBXQPJZDVIOM-YFKPBYRVSA-N 235.221 2.926 0 40 BFAB CC(C)=CCN1CCN(CCC(C)C)CC1 95350437 CFXNKAFEYLSRQP-UHFFFAOYSA-N 224.392 2.616 0 40 BFAB CCOC(=O)c1ccc(C(F)F)c(F)c1 95634611 AZVATHSVUMTIIV-UHFFFAOYSA-N 218.174 2.940 0 40 BFAB C/C=C/C=C/C(=O)Nc1ccc(C)c(C(=O)O)c1 96404593 VQYQPAGETXLFQA-VNKDHWASSA-N 245.278 2.764 0 40 BFAB O=C(O)/C(F)=C(/F)c1ccc(F)c(F)c1F 98177442 VKXWVYSJVCRITA-VURMDHGXSA-N 238.111 2.796 0 40 BFAB CCCCN1C(=O)[C@@H]2CC[C@@](C)(C1=O)C2(C)C 102703800 IKHHMGVOWQSRKL-HZMBPMFUSA-N 237.343 2.598 0 40 BFAB O=C(O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1c1ccccc1 102916234 NNUSVTIAASPYFL-RVMXOQNASA-N 216.280 2.901 0 40 BFAB C[C@H]1CCCN([C@@](C)(C(=O)O)c2ccccc2)C1 116846884 YKRHXZCFHDLDLJ-SWLSCSKDSA-N 247.338 2.718 0 40 BFAB Cc1occc1SCc1nc(C2CC2)n[nH]1 131310627 ROWSRIRAVAGFRC-UHFFFAOYSA-N 235.312 2.876 0 40 BFAB CN(CCCC(=O)O)c1cccc(Cl)c1 224988112 XKYRELSURHJRIG-UHFFFAOYSA-N 227.691 2.641 0 40 BFAB F[C@H]1COc2ccc(Br)cc2OC1 256050416 DYLPSUZPLGVZRW-ZETCQYMHSA-N 247.063 2.558 0 40 BFAB CCCNC(=O)CCCc1ccc(OC)c(C)c1 408915057 OZPHWBTXHWKMPX-UHFFFAOYSA-N 249.354 2.853 0 40 BFAB COC(=O)CCCC(=O)c1cc(C)cc(F)c1 575357480 MUXBCJPJOOQITK-UHFFFAOYSA-N 238.258 2.660 0 40 BFAB O=C(CCc1ccc(F)c(Cl)c1)N1CCC1 1888869774 OFZVJIOJZLSBMB-UHFFFAOYSA-N 241.693 2.644 0 40 BFAB Cn1cnc(-c2cc(F)ccc2C(F)(F)F)n1 2362801637 MIUVNWQMAYWGDQ-UHFFFAOYSA-N 245.179 2.640 0 40 BFAB O=S(=O)(c1cccs1)c1cccs1 115877 FXHFMWCIVYIUKA-UHFFFAOYSA-N 230.335 2.642 0 40 BFAB in-vitro CCN(CC)c1ccc([C@H]2OC[C@@H](C)O2)cc1 1687961 LPYDWCRHMGHNFL-RISCZKNCSA-N 235.327 2.967 0 40 BFAB COCCNc1cccc(C(F)(F)F)c1 2275233 MVNXUOUAQAJFMX-UHFFFAOYSA-N 219.206 2.764 0 40 BFAB Cc1nc2cc(SCC(=O)O)ccc2s1 4614936 SJPDSCWNNWINPA-UHFFFAOYSA-N 239.321 2.781 0 40 BFAB Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)NCC3 4635499 IYNWSQDZXMGGGI-NUEKZKHPSA-N 243.350 2.738 0 40 BFAB biogenic,in-vitro C[P@@](=O)(O)Oc1ccc(Cl)cc1 5211926 JWHHPIWSSKXCEA-UHFFFAOYSA-N 206.565 2.534 0 40 BFAB Cc1cc(C)c(C)c(S[C@H](C)C(N)=O)c1C 9377553 CBZZZKKEFFKJRY-LLVKDONJSA-N 237.368 2.886 0 40 BFAB Cn1c(Cl)nnc1-c1ccc(Cl)cc1 19821696 YOUFCRUCXRNFGG-UHFFFAOYSA-N 228.082 2.789 0 40 BFAB in-vitro CCC[C@H](C)NC(=O)CCc1ccc(OC)cc1 19897716 RLDVRXTYFVXXLG-LBPRGKRZSA-N 249.354 2.933 0 40 BFAB COCCN[C@H](C)c1ccc(F)c(Cl)c1 20078362 VQWVZPPZRQHLNS-MRVPVSSYSA-N 231.698 2.776 0 40 BFAB CCCSc1nc(N)c2ccsc2n1 22313194 IQHKVQORSLGRTP-UHFFFAOYSA-N 225.342 2.776 0 40 BFAB C[C@@H]1C[C@@H]1C(=O)Nc1cccc2ncccc12 32750123 JSTKKYQEQZNXOC-KOLCDFICSA-N 226.279 2.829 0 40 BFAB C[C@@H]1CCC[C@H](NC(=O)/C=C/c2cccnc2)C1 33185054 XTTALFPNMRPTQE-KHAURHHGSA-N 244.338 2.790 0 40 BFAB O=C(O)c1csc(CCc2ccccc2)n1 36220723 JQBNOUSTIWPHQS-UHFFFAOYSA-N 233.292 2.627 0 40 BFAB Clc1cc(N2CCc3ccccc3C2)ncn1 40422315 VFUDDEGKULGUMP-UHFFFAOYSA-N 245.713 2.693 0 40 BFAB O=C(O)Cc1cccc(-c2cc(F)ccc2O)c1 41661347 XQVPXTGIBYNQOV-UHFFFAOYSA-N 246.237 2.825 0 40 BFAB CNC[C@@H](C)Oc1ccc(C(F)(F)F)cc1 52599801 DMBREKGAKRUTNT-MRVPVSSYSA-N 233.233 2.692 0 40 BFAB CCSc1ccc(NC(=O)NC(C)C)cn1 58438985 NEZQJCBEXOQACR-UHFFFAOYSA-N 239.344 2.724 0 40 BFAB Cc1ccc(OCc2nc(CC(C)C)no2)cn1 69772947 GNFLLMFQSDZSDG-UHFFFAOYSA-N 247.298 2.551 0 40 BFAB CCCCN[C@@H](C)[C@H](C)n1cc(C)cn1 69845104 YYMIBHHLIXYWTA-RYUDHWBXSA-N 209.337 2.531 0 40 BFAB CC[C@H](O)c1cnc(NC(C)C)cc1C 72223005 ZFFUKIDUYNVYKJ-NSHDSACASA-N 208.305 2.654 0 40 BFAB Cc1nc(N2CCc3ccccc32)ccc1CN 72224981 VVCXRJKADSJLBP-UHFFFAOYSA-N 239.322 2.543 0 40 BFAB O=C(OCc1ccc(F)cc1)[C@@H]1CCCS1 72305098 YISXOLPNUQRNDJ-NSHDSACASA-N 240.299 2.765 0 40 BFAB c1cc(CN2CCC[C@H]3CCC[C@@H]32)ccn1 75769471 KCPTVEHSTGSNPH-KGLIPLIRSA-N 216.328 2.846 0 40 BFAB CC(C)(C)c1cnc2cc(N)ccc2n1 85386166 BBWWDOITGGTVPR-UHFFFAOYSA-N 201.273 2.510 0 40 BFAB Nc1cc(Br)cc(OC(F)F)c1 91691922 BSJSHGSLFVAXAK-UHFFFAOYSA-N 238.031 2.633 0 40 BFAB CCSC[C@H](C)N(C)Cc1cccn1C 93739600 DFAAHZBUGJBNBF-NSHDSACASA-N 226.389 2.599 0 40 BFAB O=C(c1cc(C2CC2)on1)N1CCCCCCC1 95348822 VQQHIJUYVQOYHO-UHFFFAOYSA-N 248.326 2.958 0 40 BFAB Cc1cc(CN2CC[C@]3(CCCO3)C2)oc1C 96051024 RVFBVGAJRGMHIA-CQSZACIVSA-N 235.327 2.651 0 40 BFAB CC(C)[C@H]1OCC[C@H]1CNC(=O)OC(C)(C)C 96454041 VYPPPEXWROLDMF-WDEREUQCSA-N 243.347 2.572 0 40 BFAB C[C@@H]1C[C@@H](C)CN(C(=O)c2cc(C3CC3)on2)C1 96997481 XHCUPMSIAIMJBC-NXEZZACHSA-N 248.326 2.670 0 40 BFAB CC[C@@H](SC)C(=O)Nc1ccc(O)cc1F 97238717 SHZZXGIEVITACG-SNVBAGLBSA-N 243.303 2.611 0 40 BFAB Cn1c(S)nnc1-c1c(F)cccc1Cl 116937245 RJQDBRSMOAUSSH-UHFFFAOYSA-N 243.694 2.563 0 40 BFAB CC1(C)CCCN(C(=O)CCCn2cccc2)C1 225550565 VMQYQAZURNIGLA-UHFFFAOYSA-N 248.370 2.917 0 40 BFAB CCC(CC)n1cnc2c(Cl)ncnc21 256049744 BGBIHZVBLURZCH-UHFFFAOYSA-N 224.695 2.841 0 40 BFAB FC1(F)CCC[C@@H](N[C@@H]2CCSC2)C1 307194477 PQXNTDQVAHHIPZ-RKDXNWHRSA-N 221.316 2.659 0 40 BFAB Cc1nc2cc(NC(=O)NC3CC3)ccc2s1 408980410 WKKMKSXWDQHUBB-UHFFFAOYSA-N 247.323 2.889 0 40 BFAB O=C1CC2(C1)CC(OCc1ccccc1)C2 710676941 NWRCTTXIZBYINF-UHFFFAOYSA-N 216.280 2.715 0 40 BFAB COc1ccc(-c2cccc(CO)c2)cc1 1256684 PBFQIBZGYROSFQ-UHFFFAOYSA-N 214.264 2.855 0 40 BFAB CSc1ccc(C2CCNCC2)cc1 2527200 SLYJXLIXZJYJBD-UHFFFAOYSA-N 207.342 2.876 0 40 BFAB in-vitro CCOC(=O)Nc1nc(=S)ss1 3104596 UEMCBOFMAWFDPF-UHFFFAOYSA-N 222.316 2.502 0 40 BFAB O=C(Nc1ccccc1)[C@H]1C[C@@H]2C=C[C@H]1C2 4746714 XGBHRXNRYYODNV-MDZLAQPJSA-N 213.280 2.837 0 40 BFAB CC[C@H]1CSC(Nc2ccccc2OC)=N1 6910803 YGJZHMZXLORZDM-VIFPVBQESA-N 236.340 2.989 0 40 BFAB CCCNCc1ccc(OCC)c(OC)c1 7262350 FDPAHAUGLLDAEW-UHFFFAOYSA-N 223.316 2.594 0 40 BFAB CNCc1ccc(-c2ccc([C@H](C)O)cc2)o1 7540952 SYMJTAIPCFLKKM-JTQLQIEISA-N 231.295 2.719 0 40 BFAB O=C(O)c1ccc(-c2cccnc2)s1 8419480 HENDYXUZFUWIMG-UHFFFAOYSA-N 205.238 2.508 0 40 BFAB in-vitro Cc1cc(C)c(S(=O)(=O)n2cccc2)c(C)c1 13323041 JXEJEXWSLUGCMD-UHFFFAOYSA-N 249.335 2.650 0 40 BFAB N[C@@H](Cc1c[nH]c2ccccc12)C(F)(F)F 13515098 KDECNUFSXVWZKT-JTQLQIEISA-N 228.217 2.600 0 40 BFAB C/C=C/C=C/C(=O)O[C@H](C)C(=O)c1ccccc1 13856532 FDPPMYLIHLAFGS-IMGJTEAWSA-N 244.290 2.933 0 40 BFAB Cc1ccc(C(C)C)cc1O[C@@H]1CCNC1 14632142 QIELTUOXKSCGLK-CYBMUJFWSA-N 219.328 2.859 0 40 BFAB in-vitro CC(=O)CCc1c[nH]c2cccc(C)c12 20269284 BJWXNFBMEZFJSU-UHFFFAOYSA-N 201.269 2.998 0 40 BFAB Cc1cc(CO)cc(C)c1OCC(C)C 20425004 AIGXCGHVYDCMMT-UHFFFAOYSA-N 208.301 2.831 0 40 BFAB FC(F)(F)c1cccnc1NC[C@H]1CCCO1 21034161 WJJRPGSADQFLAJ-MRVPVSSYSA-N 246.232 2.691 0 40 BFAB CN(Cc1ccccc1F)C(=O)c1ccoc1 32841415 KVGSJIPLYQUPEO-UHFFFAOYSA-N 233.242 2.691 0 40 BFAB Nc1nc2c(s1)C[C@@H]1CCCC[C@H]1C2 34617905 JHUMDYXYRRVVRQ-YUMQZZPRSA-N 208.330 2.630 0 40 BFAB Cc1cccc(CN[C@@H](C)CN2CCCCC2)c1 35258855 GZTPONIQMJPSRD-HNNXBMFYSA-N 246.398 2.959 0 40 BFAB Cc1ccc(CNCCCOc2ccccn2)o1 35287315 AFVVHHUZAZHLLJ-UHFFFAOYSA-N 246.310 2.542 0 40 BFAB CC1CCN([C@H](CN)c2ccccc2F)CC1 38916562 LWGHCPPOLRADMS-CQSZACIVSA-N 236.334 2.557 0 40 BFAB O=C1Cc2cccc(-c3ccccc3)c2N1 39477976 DHNTXCXASWDHPF-UHFFFAOYSA-N 209.248 2.848 0 40 BFAB in-vitro Cc1ccccc1OCC[C@@H]1CCCNC1 42772509 FJGQECORJKUJGH-ZDUSSCGKSA-N 219.328 2.764 0 40 BFAB C[C@@H](SCc1cccc2ccccc12)C(N)=O 48674962 ZEYSUOGPWAZIQP-SNVBAGLBSA-N 245.347 2.947 0 40 BFAB CC(=O)Nc1ccc(-c2nc(C(C)C)no2)cc1 58429143 HTPWNQVTGMLAOT-UHFFFAOYSA-N 245.282 2.818 0 40 BFAB C[C@H](Nc1ccc2ccccc2c1)C(=O)O 59211838 RWLSBXBFZHDHHX-VIFPVBQESA-N 215.252 2.725 0 40 BFAB CCN(Cc1cnn(C)c1)C1CCCCC1 70943434 RUDSDIPKKXYJJP-UHFFFAOYSA-N 221.348 2.575 0 40 BFAB COC(=O)c1ccncc1-c1ccccc1 71255714 KYTMHPFNGAMHPC-UHFFFAOYSA-N 213.236 2.535 0 40 BFAB CCCCOc1nsnc1-c1cccc(N)c1 72226416 PQHHUQYWQIXSAY-UHFFFAOYSA-N 249.339 2.966 0 40 BFAB Nc1c(Cl)ccc(Br)c1F 75915343 YBQMYAOZKDEJHG-UHFFFAOYSA-N 224.460 2.824 0 40 BFAB in-vitro COC(=O)c1cc2ccc(F)cc2s1 78210766 SQPXPMLXQVWORI-UHFFFAOYSA-N 210.229 2.827 0 40 BFAB in-vitro Clc1ccc(NCCNc2ccccn2)nc1 78626379 MDNJDLHTTGUXBM-UHFFFAOYSA-N 248.717 2.654 0 40 BFAB C[C@H](N)c1csc(NC(=O)OC(C)(C)C)n1 85873116 SFRFBHQWFMYNBL-LURJTMIESA-N 243.332 2.510 0 40 BFAB COc1cc(C(=O)C2CC2)ccc1Cl 86698758 NVLVXATWLNMAMC-UHFFFAOYSA-N 210.660 2.941 0 40 BFAB CCCCN(CCCCN)Cc1ccco1 96523766 UYQRHYGARZVFSW-UHFFFAOYSA-N 224.348 2.621 0 40 BFAB C[C@@]12C=C(Br)[C@H]1CC[C@@]2(C)C(=O)O 102816256 XVYWNXXKUFDIRD-WHFVKQHSSA-N 245.116 2.786 0 40 BFAB CCC[C@@H](C)Nc1ccc(C(=O)NCC)cc1N 213294882 XMYWNIOQSKITKU-SNVBAGLBSA-N 249.358 2.619 0 40 BFAB CCC[C@@H](NC)C(=O)c1ccc2c(c1)CCC2 299817368 ZCTUUSNQUQURDL-CQSZACIVSA-N 231.339 2.746 0 40 BFAB in-vitro Cc1cc(-n2ccnc2)nc(-c2ccccc2)n1 1859865865 VFXPQGWEVGBQMU-UHFFFAOYSA-N 236.278 2.638 0 40 BFAB OC1(/C=C/CN2CCCCC2)CCCCC1 123377 NMNASQKULQZZEQ-JXMROGBWSA-N 223.360 2.724 0 40 BFAB Cc1ccc(C(=O)NCCC(C)C)cc1 362714 AVLHVSHTWPMHEE-UHFFFAOYSA-N 205.301 2.771 0 40 BFAB O=C(NC1CCCCC1)N1CCCCC1 395224 FVBADNVFGOKMIY-UHFFFAOYSA-N 210.321 2.515 0 40 BFAB COc1cccc(NCCCSC)c1 1576404 DYKCCWDUZYXPOC-UHFFFAOYSA-N 211.330 2.860 0 40 BFAB Cc1ccc([C@@]2(O)C[C@@H](C)N(C)C[C@@H]2C)cc1 2565498 CFZMSXAIXMGEAH-GZBFAFLISA-N 233.355 2.543 0 40 BFAB CCCCCCC(=O)Nc1nnc(C)s1 3045100 NTULTURKUXGCRS-UHFFFAOYSA-N 227.333 2.755 0 40 BFAB Cc1cc(O)c(NC(=O)c2cccnc2)cc1C 5697582 ZLDCMLMKLMTOFE-UHFFFAOYSA-N 242.278 2.656 0 40 BFAB CCCc1nnc2sc(-c3ccccc3)nn12 8391970 NPGWFHSITVRGAV-UHFFFAOYSA-N 244.323 2.805 0 40 BFAB FC(F)(F)c1ccc2c(c1)NCCO2 8699806 RJCKEXMCUNMOAQ-UHFFFAOYSA-N 203.163 2.510 0 40 BFAB in-vitro Cc1cccc(Oc2ncccc2C(=O)O)c1 8729648 BLRPUKYQMPSEQX-UHFFFAOYSA-N 229.235 2.881 0 40 BFAB C[C@H](NC(=O)c1ccoc1)c1ccccc1F 12865228 XIIZDLZLKVZKDJ-VIFPVBQESA-N 233.242 2.910 0 40 BFAB CCOc1cc2c(cc1NC(=O)CC)O[C@H](C)C2 12953248 SOSTVNDFNFLJMN-SECBINFHSA-N 249.310 2.757 0 40 BFAB CN(Cc1ccccc1F)C(=O)c1ccco1 12984603 WIRAJSRLENVDSB-UHFFFAOYSA-N 233.242 2.691 0 40 BFAB COc1c(C)cc(C2CCNCC2)cc1C 14629046 SDSSXMPQSAWSKM-UHFFFAOYSA-N 219.328 2.779 0 40 BFAB CCCn1ccc(NCc2ccccc2OC)n1 20350475 RRYOMBWPPIGABJ-UHFFFAOYSA-N 245.326 2.914 0 40 BFAB Cc1c(N)cccc1C(=O)N1[C@H](C)CCC[C@H]1C 22169925 KISZGFIXRSDRCT-GHMZBOCLSA-N 246.354 2.980 0 40 BFAB CCc1ccc2nc(NCCN(C)C)sc2c1 26423979 GZYYHQKBUBAISJ-UHFFFAOYSA-N 249.383 2.832 0 40 BFAB Clc1ccccc1COC1CCNCC1 31839918 QJCKXPUGZYRJRA-UHFFFAOYSA-N 225.719 2.609 0 40 BFAB CCCCNc1nncc2ccccc12 35121029 NGSKLVMGCGRFLB-UHFFFAOYSA-N 201.273 2.842 0 40 BFAB CCc1ccc(-c2cnc(C(=O)O)o2)cc1 36159507 AQKGDKYBSSDKOF-UHFFFAOYSA-N 217.224 2.602 0 40 BFAB CC[C@H](C)CNCc1cccc(OC)c1 37680264 RDILZAKXNUEOFM-NSHDSACASA-N 207.317 2.831 0 40 BFAB COc1cc(F)c([C@H](O)C(F)(F)F)c(F)c1 40240934 CPQTUCBNFQJCNM-QMMMGPOBSA-N 242.143 2.569 0 40 BFAB CC1(C)CC[C@@H](C(=O)O)c2ccccc21 40740211 WZXRUGMJTCDPDH-SNVBAGLBSA-N 204.269 2.926 0 40 BFAB in-vitro c1cncc(-c2ccc3c(c2)OCCO3)c1 40873967 WBKBSDQNOSGKCC-UHFFFAOYSA-N 213.236 2.520 0 40 BFAB in-vivo CC(=O)N(C)[C@H](C)c1ccccc1Cl 45442666 HXFXYSLGEXMEGK-MRVPVSSYSA-N 211.692 2.879 0 40 BFAB COC(=O)c1c(Cl)ccc(Cl)c1F 47202326 QGMYVEVPOYNGIU-UHFFFAOYSA-N 223.030 2.919 0 40 BFAB Sc1nc(-c2cccc(Cl)c2)no1 61881125 HGLQSZTUXFXFTN-UHFFFAOYSA-N 212.661 2.679 0 40 BFAB CCCCN1CCCC[C@H]1C(=O)NC(C)(C)C 72277680 FBLKLHHVSLOBEJ-LBPRGKRZSA-N 240.391 2.556 0 40 BFAB CCC[C@@H](C)Sc1ncnc2c1cnn2C 75093563 UKKHCBLZGAWMLL-MRVPVSSYSA-N 236.344 2.644 0 40 BFAB c1ccc(CN(C[C@@H]2CCCNC2)C2CC2)cc1 79438013 HMRSLQPQXNFITK-OAHLLOKOSA-N 244.382 2.651 0 40 BFAB Cc1ccc([C@H](O)c2cc(F)cc(F)c2)o1 82675790 YKASIZBXVLBBGG-GFCCVEGCSA-N 224.206 2.948 0 40 BFAB CCc1[nH]nc(NCc2ccc(C)o2)c1C 83817399 VUPIXMAGYRWLHC-UHFFFAOYSA-N 219.288 2.794 0 40 BFAB COCc1cc(Br)c(C)c(OC)c1 95095534 AZWHJJKDVMMJSN-UHFFFAOYSA-N 245.116 2.913 0 40 BFAB COC(C)(C)c1c(Cl)cccc1C(=O)O 96171685 GUFVXENCDHOCEP-UHFFFAOYSA-N 228.675 2.920 0 40 BFAB CC(C)(C)c1cc(C(=O)N2C[C@H]3CC[C@H]2C3)no1 102360950 DPCSYYQOBZMQMC-UWVGGRQHSA-N 248.326 2.597 0 40 BFAB Cc1nccn1-c1ncccc1C(F)(F)F 104295680 BBWZRQSJZCYIBR-UHFFFAOYSA-N 227.189 2.595 0 40 BFAB NNC(c1cccc(F)c1)c1cccc(F)c1 161781351 QCJHYTKEXYIRJG-UHFFFAOYSA-N 234.249 2.518 0 40 BFAB Cc1cc2c(o1)C[C@H](C(F)F)CC2=O 217647017 PWRAWWOYCVQJTL-ZCFIWIBFSA-N 200.184 2.598 0 40 BFAB CC[C@H](Cl)C(=O)c1ccccc1N(C)C 382696118 KTAJEPPCUOJARH-JTQLQIEISA-N 225.719 2.953 0 40 BFAB CCSc1nnc(C)n1-c1ccc(F)cc1 409096504 LHBDEUBINVHFDC-UHFFFAOYSA-N 237.303 2.827 0 40 BFAB O=C1N[C@H](C2CCCCC2)Nc2ccccc21 101947 SSILWQXUCHXMTP-CYBMUJFWSA-N 230.311 2.748 0 40 BFAB Cc1cc(NC(=O)c2ccccc2Cl)n(C)n1 165080 XVFATBUWZUYFCL-UHFFFAOYSA-N 249.701 2.634 0 40 BFAB C=CC(=O)OCCOC[C@@H](CC)CCCC 2045807 NZAZOEQPICNQIB-LBPRGKRZSA-N 228.332 2.949 0 40 BFAB O=P(O)(O)Cc1ccc(Cl)cc1Cl 2178967 WQLKAHBHPFUKOJ-UHFFFAOYSA-N 241.010 2.671 0 40 BFAB CN(C)CCC(=O)c1cc2ccccc2o1 3160129 RHDMIBHPJKHKAF-UHFFFAOYSA-N 217.268 2.567 0 40 BFAB O=C1Nc2cc3c(cc2C1=O)oc1ccccc13 4042545 XHPRBKKNNNIORX-UHFFFAOYSA-N 237.214 2.721 0 40 BFAB biogenic CCC(C)(C)NC(=O)c1cccc(OC)c1 4702934 PTUOULXIBUKGSG-UHFFFAOYSA-N 221.300 2.614 0 40 BFAB Cc1ccc(NC(=O)CN2CCCCC2)c(C)c1 4851741 QVLVWAPNNHZUCG-UHFFFAOYSA-N 246.354 2.728 0 40 BFAB CC(C)n1c(=O)oc2ccc(Cl)cc21 5031907 ANQHWEVESFIYMW-UHFFFAOYSA-N 211.648 2.829 0 40 BFAB O=C(CC1CCCC1)Nc1ccncc1 8723387 LGXOZOUJRPFYTF-UHFFFAOYSA-N 204.273 2.600 0 40 BFAB CC(C)c1nn2c(-c3ccco3)nnc2s1 12322417 RVNPGNCPMHPMDV-UHFFFAOYSA-N 234.284 2.569 0 40 BFAB Cc1cccc(C(=O)N2CCCC2)c1C 12975721 QFHWTPBPMWYDOV-UHFFFAOYSA-N 203.285 2.539 0 40 BFAB CCCCN(C)[C@@H](C)[C@@H](O)c1ccccc1 13424786 FJIKJFWKVKMDTN-GXTWGEPZSA-N 221.344 2.840 0 40 BFAB biogenic O=C(O)CSc1ccnc2ccc(F)cc12 16158428 CGKOSIAETLFECS-UHFFFAOYSA-N 237.255 2.551 0 40 BFAB C[C@H](NCc1c(Cl)cccc1Cl)C(=O)O 19787733 ZVDILYWGTUOROX-LURJTMIESA-N 248.109 2.556 0 40 BFAB O=C(O)CSCc1cc(-c2ccccc2)on1 20285124 IHVXYRVIEHJGDT-UHFFFAOYSA-N 249.291 2.659 0 40 BFAB CCc1ccc2occ(CC(=O)OC)c2c1 27587506 XXNDGDAYRURIFW-UHFFFAOYSA-N 218.252 2.711 0 40 BFAB Cc1ncc(CNC(=O)Nc2ccccc2)s1 32611467 DSTNAFLVJUKOMG-UHFFFAOYSA-N 247.323 2.773 0 40 BFAB COc1ccc(SCCC(C)=O)cc1 35017717 ZVJUIFLWAWZCEJ-UHFFFAOYSA-N 210.298 2.766 0 40 BFAB CCOC(=O)c1nc(-c2cccc(F)c2)[nH]c1C 35320789 VXRRWVSOXFYGEW-UHFFFAOYSA-N 248.257 2.701 0 40 BFAB C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1 36673389 UBPNZKDCPIULKA-GZMMTYOYSA-N 245.244 2.755 0 40 BFAB in-vitro C=CC(=O)Nc1ccc(F)cc1Br 36883034 YMSRZMHETSUSBO-UHFFFAOYSA-N 244.063 2.713 0 40 BFAB O=C(O)[C@@H]1C[C@@H]1c1ccc(Cl)s1 37381107 FJXYZGVJJOLGLQ-CRCLSJGQSA-N 202.662 2.590 0 40 BFAB COc1cc2c(cc1C(F)(F)F)NCC2 38363854 MCSWKSCZARDPJX-UHFFFAOYSA-N 217.190 2.682 0 40 BFAB O=C(O)c1cc2cc(Cl)sc2[nH]1 38866729 SOGNHUJSAKAIRG-UHFFFAOYSA-N 201.634 2.581 0 40 BFAB in-vitro CNC(=O)c1sc2ccsc2c1C 40513927 OPWMPFQTRSWWHZ-UHFFFAOYSA-N 211.311 2.631 0 40 BFAB CCOc1ccc([C@H](O)C(F)(F)F)cc1 42268296 DXDZDJCNLJXFQC-VIFPVBQESA-N 220.190 2.681 0 40 BFAB CCc1nc(CN(C)Cc2ccco2)cs1 42625380 SSAPTDJEGDCRCE-UHFFFAOYSA-N 236.340 2.931 0 40 BFAB Ic1cccc2[nH]ccc12 42689701 XVRDITINKCASST-UHFFFAOYSA-N 243.047 2.773 0 40 BFAB CC(C)[C@H](C)NC(=O)NCc1cccs1 48406825 YPOKHAIBOWRSPQ-VIFPVBQESA-N 226.345 2.592 0 40 BFAB NCc1cc(-c2cccc(C(F)(F)F)c2)n[nH]1 50478885 SHCBYQWTJJGQTJ-UHFFFAOYSA-N 241.216 2.554 0 40 BFAB COc1ccccc1/C=C/C(=O)OC(C)C 57465021 OQBSEORHDBHHJT-CMDGGOBGSA-N 220.268 2.660 0 40 BFAB CC[C@H](O)Cc1ccc(N(CC)CC)cc1 58001539 JPTARWNNUMSUSM-AWEZNQCLSA-N 221.344 2.846 0 40 BFAB COc1ccc(CN(C)C(C)C)c(OC)c1 61778915 PTULNLWFBRAHPZ-UHFFFAOYSA-N 223.316 2.544 0 40 BFAB c1csc(-c2ccnc(N3CCCC3)n2)c1 67320845 FVPQMPVFOHTJCD-UHFFFAOYSA-N 231.324 2.805 0 40 BFAB COc1cccc2c1N(C(=O)C(C)C)CCC2 70253213 GTRMXMXDJHPZFR-UHFFFAOYSA-N 233.311 2.630 0 40 BFAB CC(C)(C)OC(=O)N1CCCC(F)(F)C1 71257525 LBDWLNLSKQNMGW-UHFFFAOYSA-N 221.247 2.653 0 40 BFAB in-vitro CCCOc1ccc(NC(=O)OC)cc1 74983473 YUHKTXULCGYWTC-UHFFFAOYSA-N 209.245 2.654 0 40 BFAB CCCC(=O)c1c[nH]c2c(OC)cccc2c1=O 78162515 ARTRQJHMQWMEQA-UHFFFAOYSA-N 245.278 2.520 0 40 BFAB CC(C)C(=O)N1CCC[C@@H]1COc1ccccc1 79050837 DWTANAATYQOXBU-CYBMUJFWSA-N 247.338 2.712 0 40 BFAB Cc1cccc2ncnc(N3CCCC3)c12 80761584 LIBIEARTVZWURH-UHFFFAOYSA-N 213.284 2.538 0 40 BFAB Cc1cccc(CC2CN(C(=O)[C@H]3C[C@H]3C)C2)c1 85459282 GGBNKMZXCMEOPA-DOMZBBRYSA-N 243.350 2.652 0 40 BFAB C1CCC(N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC1 95444350 QVDFNILQWNDXDK-MCIONIFRSA-N 235.371 2.866 0 40 BFAB Nc1cc(OC2CC2)cc(C(F)(F)F)c1 95737447 XQQNTPUDLNYGEL-UHFFFAOYSA-N 217.190 2.829 0 40 BFAB Cc1cn(-c2cccc(Br)c2)cn1 95915567 RQURBSHDSYCMJO-UHFFFAOYSA-N 237.100 2.943 0 40 BFAB CC(C)CCc1nnc(NCc2ccn(C)c2)o1 97045500 COADUERELSVFCH-UHFFFAOYSA-N 248.330 2.609 0 40 BFAB O=C(O)C1(c2ccc3ccccc3c2)CC1 105638960 MBNILIMKOCLKMN-UHFFFAOYSA-N 212.248 2.956 0 40 BFAB CC(C)C(=O)c1ccc(Br)nc1 147091543 LJJJURRSDWGEFA-UHFFFAOYSA-N 228.089 2.683 0 40 BFAB CCNC(=O)CSCc1ccccc1Cl 192544123 HBEOWWWOOXHGBX-UHFFFAOYSA-N 243.759 2.709 0 40 BFAB CC[C@@H](NC(=O)COC)c1ccc(C)c(C)c1 224614370 RQZGHTKCIRDYKG-CYBMUJFWSA-N 235.327 2.517 0 40 BFAB CC[C@@H](C(=O)O)N(C)c1ccc(Cl)cc1 224988621 UIWYRMLVKZYJIT-JTQLQIEISA-N 227.691 2.639 0 40 BFAB Cc1c(F)cccc1N1CCN[C@@H]2CCCC[C@@H]21 225713822 QEQVVJLEYCAMDZ-HIFRSBDPSA-N 248.345 2.855 0 40 BFAB Cn1c(-c2cc3ccccc3[nH]2)n[nH]c1=S 228980249 MTQQTEXUDSLNPZ-UHFFFAOYSA-N 230.296 2.626 0 40 BFAB CCN[C@@H](C)Cc1ccc2ccoc2c1 299817206 MIRNYUKRRZFBOI-JTQLQIEISA-N 203.285 2.973 0 40 BFAB in-vitro O=[S@](c1ccc(Br)cc1)C1CC1 584593021 DIUQZOZZNKNFHE-GFCCVEGCSA-N 245.141 2.719 0 40 BFAB CCc1cc(CO)c2c(C)cccc2n1 685936905 FEWYSUWCGDJFMY-UHFFFAOYSA-N 201.269 2.598 0 40 BFAB CC1=C[C@H](C)[C@@H](C)[C@H](C(=O)NCC(C)C)C1 1675047 ILWKDNXFTDQNAN-YNEHKIRRSA-N 223.360 2.997 0 40 BFAB C[C@@H](Cc1cccc2ccccc12)C(N)=O 2048685 TWOIEDIZNVBPEY-JTQLQIEISA-N 213.280 2.504 0 40 BFAB CC[n+]1ccccc1[C@H](F)C(F)(F)F 3167791 VSVMHXFMQBOQEC-QMMMGPOBSA-N 208.178 2.567 0 40 BFAB CCC[C@@H]1O[C@@H](CCOC)OC[C@@H]1CC 4727124 IRUGBMFSJMQEGN-SRVKXCTJSA-N 216.321 2.591 0 40 BFAB CC(C)c1ccc(NC(=O)[C@@H]2CCCO2)cc1 5384778 KPKRIBMJTQXTPD-ZDUSSCGKSA-N 233.311 2.928 0 40 BFAB CCCCN1C(=O)c2ccccc2[C@H]1OC 9144717 QRSFCYOSRUYIPJ-CYBMUJFWSA-N 219.284 2.588 0 40 BFAB Cc1ccccc1[C@@H]1NC(=O)c2ccccc2N1 9737309 HEXRIGFWUUMZHO-AWEZNQCLSA-N 238.290 2.849 0 40 BFAB Cc1cc2cc3c(cc2nc1Cl)OCCO3 13535569 BHJFYLMSXLVHFU-UHFFFAOYSA-N 235.670 2.968 0 40 BFAB Nc1ccc(Oc2cccnc2)c(F)c1 14630739 LZWSCQVAQJVIJQ-UHFFFAOYSA-N 204.204 2.595 0 40 BFAB in-vitro CC/C=C1\N=C(c2ccc(Cl)cc2)OC1=O 16957389 KVCHIFCUABPSOQ-KMKOMSMNSA-N 235.670 2.937 0 40 BFAB C[C@H]1CCC[C@@H](C)N1C(=O)Cc1ccccc1N 20155702 NOUTZRIVCRJYER-TXEJJXNPSA-N 246.354 2.601 0 40 BFAB Cc1cc(C(=O)N[C@H](C)c2ccccc2F)on1 23544706 CDAZPJKFPYFINX-SECBINFHSA-N 248.257 2.613 0 40 BFAB COc1cccc(CNC(=O)[C@H]2CC=CCC2)c1 25422549 JIECKBPOWUGXFY-ZDUSSCGKSA-N 245.322 2.668 0 40 BFAB CC(C)C1=C[C@H]2[C@H](CC[C@]2(C)O)[C@](C)(O)CC1 26832404 IWQURBSTAIRNAE-XQLPTFJDSA-N 238.371 2.891 0 40 BFAB biogenic,in-vitro Cc1nc(CSc2nc3ccccc3[nH]2)no1 29188686 CNUKKTXKISICJZ-UHFFFAOYSA-N 246.295 2.547 0 40 BFAB COc1ccc(-c2c(C3CC3)n[nH]c2N)cc1 34975872 AOWXXVYGUJLLSV-UHFFFAOYSA-N 229.283 2.545 0 40 BFAB c1ccc2oc(NCc3nccs3)nc2c1 40444454 VUXHQDOPMXOZPG-UHFFFAOYSA-N 231.280 2.896 0 40 BFAB CC(C)C(=O)NCCCSc1ccccc1 40458936 IHHIDISTKIZXKF-UHFFFAOYSA-N 237.368 2.941 0 40 BFAB CCC[C@@H](C)Nc1ccc(C(=O)OC)cc1N 41080142 BGRXRAOJCMCZIV-SECBINFHSA-N 236.315 2.656 0 40 BFAB Cc1cccc(-c2c[nH]c([C@H]3CCCN3)n2)c1 41089435 VCOFOVDXEMFFKD-GFCCVEGCSA-N 227.311 2.810 0 40 BFAB N=C(Cc1ccccc1)N1CCCCC1 62995439 DVFCFSZCBZEUSU-UHFFFAOYSA-N 202.301 2.692 0 40 BFAB Cc1cc(NC(=O)c2ccco2)ccc1F 68933403 BZWNIVMLODYLBE-UHFFFAOYSA-N 219.215 2.979 0 40 BFAB CCOc1cc(C(=O)OC)cc2oc(C)cc12 72228366 RQFBPWZHGHEHQC-UHFFFAOYSA-N 234.251 2.927 0 40 BFAB O=C(NC1CCCC1)c1ccnc2ccccc12 74715417 BNWDLECIHYTTIY-UHFFFAOYSA-N 240.306 2.907 0 40 BFAB CCOc1ccc(NC(=O)C(C)(C)C)c(N)c1 76859683 MACRJANTXRSSBM-UHFFFAOYSA-N 236.315 2.652 0 40 BFAB Cc1nc(Cl)cc(N(CC(F)F)C2CC2)n1 79089752 DJIYQTQXCHGESB-UHFFFAOYSA-N 247.676 2.672 0 40 BFAB CCOc1ccc(C)cc1-c1[nH]ncc1C=O 82168417 XRDCVCYJFJBOKQ-UHFFFAOYSA-N 230.267 2.596 0 40 BFAB CC(C)C[C@@H](C)N(C)c1cc(Cl)nc(N)n1 88300385 JREKWRWXTQVBGB-MRVPVSSYSA-N 242.754 2.583 0 40 BFAB Cc1ccccc1[C@H](OCC(=O)O)C(F)(F)F 95096405 DYPOFAYXNICKKG-JTQLQIEISA-N 248.200 2.700 0 40 BFAB Cc1cccc(OC(=O)c2cnc(C)nc2C)c1 95990365 NAXVQDOJCPHYAG-UHFFFAOYSA-N 242.278 2.621 0 40 BFAB CC(C)c1ccc(C(=O)O)c(C(F)F)n1 96529399 SGNBKEBKBPBKPN-UHFFFAOYSA-N 215.199 2.841 0 40 BFAB Cc1ccc(NC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)nc1 102226588 JGSZGGGVLKPPLS-SDDRHHMPSA-N 228.295 2.541 0 40 BFAB OC[C@H]1CCC[C@]12CCN(Cc1ccccc1)C2 110915416 RGBDVMIZXARMHK-HZPDHXFCSA-N 245.366 2.671 0 40 BFAB Cc1nccn1-c1cccc(C(F)(F)F)n1 111551736 DKNLEIXQVHELJZ-UHFFFAOYSA-N 227.189 2.595 0 40 BFAB CCc1ccc(N[C@H]2CCCC[C@H]2N)cc1 218863218 KCDCPEUDJGVRJN-KGLIPLIRSA-N 218.344 2.931 0 40 BFAB Cc1cc(C)c2nc(C)cc(NCCN)c2c1 222685010 YGGORGRPXSJRBZ-UHFFFAOYSA-N 229.327 2.531 0 40 BFAB Cc1ccc(Cl)cc1-n1cccc1CO 223725645 BOTUWAVKYDAILB-UHFFFAOYSA-N 221.687 2.931 0 40 BFAB Cc1ccc(N)cc1NC(=O)/C=C/c1ccco1 237586671 WCOJVOPJXLNQSN-VOTSOKGWSA-N 242.278 2.822 0 40 BFAB CC(C)CC1CC(c2cc(C(=O)O)n[nH]2)C1 685937281 GEHDOFGMQVYJQR-UHFFFAOYSA-N 222.288 2.648 0 40 BFAB Cc1ccc2c(c1)C(=O)c1cnc(C)cc1-2 51648 UQHJHBSEYIOLIB-UHFFFAOYSA-N 209.248 2.910 0 40 BFAB biogenic S=C1NC2(CCCCC2)NC2=C1CCCC2 238921 XKGVINWHWGXNSZ-UHFFFAOYSA-N 236.384 2.995 0 40 BFAB O=C(O)c1cc2sc(F)cc2s1 480668 VYOGDXIJQXAMQD-UHFFFAOYSA-N 202.231 2.800 0 40 BFAB O=c1ccccn1CCOc1ccc(Cl)cc1 550831 HVYAMWPWVMOARX-UHFFFAOYSA-N 249.697 2.581 0 40 BFAB O=C1CCCN1c1ccc(OC(F)(F)F)cc1 1395858 GETZRGTWONSKGI-UHFFFAOYSA-N 245.200 2.712 0 40 BFAB O=C(c1ccccc1)N1CCCSC1=S 1607499 JEBQWIUEPJWALY-UHFFFAOYSA-N 237.349 2.551 0 40 BFAB CC(C)OCc1cc(Cl)ccc1O 1679608 AQMGUCIRAHYSBS-UHFFFAOYSA-N 200.665 2.971 0 40 BFAB CCCNC(=O)[C@@H](C)SCc1ccccc1 2179193 QHFSCROFXVILHT-LLVKDONJSA-N 237.368 2.835 0 40 BFAB Cc1ccc(C(=O)CCCC(=O)O)cc1F 2378691 HUDQRZXOWPVVDO-UHFFFAOYSA-N 224.231 2.572 0 40 BFAB CNC(=O)Nc1nc2c(Cl)cccc2s1 2513919 LZDMPKQOIJDTQL-UHFFFAOYSA-N 241.703 2.701 0 40 BFAB CC1CCN(c2ccc(F)cc2N)CC1 2538784 MIEGFPBUSUCAQB-UHFFFAOYSA-N 208.280 2.644 0 40 BFAB COc1cc(C2SCCS2)ccc1O 3357026 QMTIOHSDTHZCIL-UHFFFAOYSA-N 228.338 2.879 0 40 BFAB in-vitro CC(C)(C)NC(=O)c1ccc(N2CCCC2)cc1 7383497 WJHAIWUKXXDPHA-UHFFFAOYSA-N 246.354 2.815 0 40 BFAB CCC(C)(C)c1ccc(O[C@@H](C)C(N)=O)cc1 7813814 GDSUKLKJVCFDGH-JTQLQIEISA-N 235.327 2.627 0 40 BFAB CCCn1cc2c(C)cc(Cl)nc2n1 12398536 YRXNIBQAJDSEDK-UHFFFAOYSA-N 209.680 2.803 0 40 BFAB COc1ccc([C@H](N)C(F)(F)F)cc1Cl 20521775 BFWRKORBLMNQLD-QMMMGPOBSA-N 239.624 2.911 0 40 BFAB CCN(CC)C[C@@H](C)NCc1ccccc1 22073584 DELYVWUJKFYIQX-CYBMUJFWSA-N 220.360 2.507 0 40 BFAB C[C@@H](C1CC1)N(C)C(=O)c1ccnc(Cl)c1 35207623 QNTLCNFGOKQPPU-QMMMGPOBSA-N 238.718 2.606 0 40 BFAB CCC(CC)(C(=O)O)c1ccc2c(c1)OCO2 37934477 ARUIOJWSDMKCSM-UHFFFAOYSA-N 236.267 2.558 0 40 BFAB O=C(CSC(F)(F)F)Nc1ccccc1 40088759 AZGOOAHRRSVTNI-UHFFFAOYSA-N 235.230 2.878 0 40 BFAB Cc1ccccc1CC(=O)NCCC(C)C 40162069 IRKQHHSZEZHGPZ-UHFFFAOYSA-N 219.328 2.700 0 40 BFAB CC[C@@H](C)NC(=O)CCc1ccc(F)c(F)c1 40505714 PBCKXFWZBFFRCP-SECBINFHSA-N 241.281 2.812 0 40 BFAB O=C(NC1(c2ccccc2)CC1)c1ccco1 41564645 MBWHHIJHFYMQLW-UHFFFAOYSA-N 227.263 2.699 0 40 BFAB C[C@@H](NC(=O)CC(F)(F)F)c1cccs1 43072592 KSPOMJBKUKCHRB-ZCFIWIBFSA-N 237.246 2.878 0 40 BFAB Cc1cc(C(=O)c2ccccc2C)ccn1 45038428 QQQHHDXSZAFLQT-UHFFFAOYSA-N 211.264 2.929 0 40 BFAB C[C@H]1CCCC[C@H]1NCCC(=O)OC(C)(C)C 47219001 FEWBONHQPJCKJQ-NWDGAFQWSA-N 241.375 2.887 0 40 BFAB COCCN(C)[C@H](C)c1ccc(C)cc1 47959453 DRKXIYPGASJDOA-GFCCVEGCSA-N 207.317 2.634 0 40 BFAB CN(CC(=O)O)c1cc(Cl)cc(Cl)c1 49826107 ARVDVISOXUSHLG-UHFFFAOYSA-N 234.082 2.514 0 40 BFAB CC(C)[C@H](C)NC(=O)[C@@H](C)Oc1ccccc1 57159842 DJEUIBMGUBBVSY-NWDGAFQWSA-N 235.327 2.615 0 40 BFAB CNC[C@H](OC(C)C)c1ccc(F)cc1F 62711689 UFGPIMGXKXJRMK-LBPRGKRZSA-N 229.270 2.650 0 40 BFAB CCCN(CCC)C(=O)c1c(CC)noc1C 65542110 HLDLGRGHTLCJKV-UHFFFAOYSA-N 238.331 2.808 0 40 BFAB CCc1nc([C@H]2CCCN2CC=C(C)C)no1 72279336 IELPDQFMEYXAMC-LLVKDONJSA-N 235.331 2.735 0 40 BFAB CCN1CC=C(c2nc3ccccc3[nH]2)CC1 73636026 XDTVADSMQXPUNU-UHFFFAOYSA-N 227.311 2.672 0 40 BFAB CC(C)(C)OC(=O)NC[C@H]1CCCCS1 87686484 YPNLOKNUKNZSGT-SECBINFHSA-N 231.361 2.797 0 40 BFAB in-vitro O=Cc1nc(-c2ccc(Cl)c(Cl)c2)no1 89262082 OHRSHYHXGFNWIF-UHFFFAOYSA-N 243.049 2.856 0 40 BFAB CC[C@H](C(=O)O)[C@H]1CCN(Cc2ccccc2)C1 96963677 LEKMNFWFDOYZRS-KBPBESRZSA-N 247.338 2.619 0 40 BFAB CN(CC(F)F)C[C@H](O)c1ccccc1Cl 103488152 FLVHLKDWEPMJNU-JTQLQIEISA-N 249.688 2.570 0 40 BFAB COc1ccccc1CCCNC(=O)C(C)(C)C 223098152 INPOFDZQSUITRS-UHFFFAOYSA-N 249.354 2.790 0 40 BFAB Fc1cc(Br)cnc1C(F)F 238620286 SWEPDKQKBBIAFY-UHFFFAOYSA-N 225.995 2.921 0 40 BFAB C[C@H](Oc1cccc(Br)c1)[C@H]1CO1 256053371 RDXVBICGWDNSOB-OIBJUYFYSA-N 243.100 2.615 0 40 BFAB Cc1nn(C(C)C)cc1CNCc1ccco1 256053920 UDYHXVIVSFGXTG-UHFFFAOYSA-N 233.315 2.655 0 40 BFAB CCc1ncnc(Nc2ccccc2)c1F 301947492 YDPUNEWXQDVRBR-UHFFFAOYSA-N 217.247 2.922 0 40 BFAB CO[C@@H]1CCN(CCCCCF)[C@H](C)C1 330033087 WGOIPPKGQAUJQI-VXGBXAGGSA-N 217.328 2.626 0 40 BFAB Cc1ccc(OC2CCSCC2)nc1 585654610 JUWYFRIIQBYQIU-UHFFFAOYSA-N 209.314 2.664 0 40 BFAB COc1cnc2c(Cl)cccc2c1C(=O)O 685937641 VPRZWSLERNFUPG-UHFFFAOYSA-N 237.642 2.595 0 40 BFAB Nc1ccccc1[C@H]1CC1(Cl)Cl 93764 SZUWLNKLJNVARV-SSDOTTSWSA-N 202.084 2.930 0 40 BFAB CSc1nnc(-c2ccc(F)cc2)o1 415856 JIGIGJSWGXSNCD-UHFFFAOYSA-N 210.233 2.598 0 40 BFAB in-vitro CCN1C(=O)S/C(=C\c2cccs2)C1=O 1132941 CXWWHVLRKHXUMR-VURMDHGXSA-N 239.321 2.804 0 40 BFAB NC(=O)C=C1c2ccccc2-c2ccccc21 1678388 YCUSZRYWAWYUAT-UHFFFAOYSA-N 221.259 2.584 0 40 BFAB O=C1Nc2ccccc2S[C@@H]1N1CCCCC1 3353387 TYRSEKOROXBGKY-ZDUSSCGKSA-N 248.351 2.543 0 40 BFAB C[C@H](Nn1nnc2ccccc21)c1ccccc1 6030405 ZNKDFAUZPHKYJI-NSHDSACASA-N 238.294 2.736 0 40 BFAB Nc1ccccc1C(=O)OCc1ccccc1F 6756785 QSBIKHAGIQUGES-UHFFFAOYSA-N 245.253 2.765 0 40 BFAB Cc1cccc(NCC(C)(C)C(=O)O)c1C 8702842 ARUWVGXCEFECJD-UHFFFAOYSA-N 221.300 2.826 0 40 BFAB CC[C@H](C)C(=O)Nc1ccc(N)cc1Cl 8732376 HPFHKKWNTHYMAM-ZETCQYMHSA-N 226.707 2.907 0 40 BFAB Fc1ccc(OCC[C@H]2CCCCN2)cc1 14632332 JHYKGGGNELYUTC-GFCCVEGCSA-N 223.291 2.737 0 40 BFAB CC[C@H](C)N1CCN(Cc2ccc(C)cc2)CC1 19889611 KYJKJHIZDCHKLA-HNNXBMFYSA-N 246.398 2.911 0 40 BFAB O[C@@H]1CCCOc2cc(Br)ccc21 37180246 AKQLFBDVHAOWOY-SECBINFHSA-N 243.100 2.655 0 40 BFAB in-vitro CCC(=O)NCCSCc1ccsc1 40467723 JNIQLGLLRCXCNE-UHFFFAOYSA-N 229.370 2.508 0 40 BFAB Cc1ccsc1CNC(=O)NCC1CCC1 41408920 XWRHNCPOFKKGOB-UHFFFAOYSA-N 238.356 2.656 0 40 BFAB CC(C)C(=O)N1C[C@@H](C)O[C@H](c2ccccc2)C1 41421370 NWYKBEGZNZJPER-OCCSQVGLSA-N 247.338 2.631 0 40 BFAB CC(C)Oc1ccc(N)cc1Br 43597658 ZGDPDQDFOMFHDD-UHFFFAOYSA-N 230.105 2.819 0 40 BFAB in-vitro COc1cccc(OC)c1C(=O)c1ccco1 43606603 XGOBMGYSYGDGRT-UHFFFAOYSA-N 232.235 2.528 0 40 BFAB NC(=S)c1ccc(Cl)c(C(F)(F)F)c1 44960020 MPBUEWPKJPREPS-UHFFFAOYSA-N 239.649 2.993 0 40 BFAB COCCCN1CCC[C@H]1c1cccc(OC)c1 51180370 QMMLIEHQZGCSHP-HNNXBMFYSA-N 249.354 2.869 0 40 BFAB NC[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 54586886 JBDVVLCWMKDZLY-IONNQARKSA-N 215.218 2.768 0 40 BFAB CNC[C@H]1C[C@H]1c1c(F)cccc1Cl 54588713 HODOHRYFWUWNJY-HTQZYQBOSA-N 213.683 2.802 0 40 BFAB CC[C@@](C)(O)c1cc(Cl)ccc1OC 55191825 RZCJKRMWNWPUCZ-LLVKDONJSA-N 214.692 2.966 0 40 BFAB O=C(NCC1CC1)[C@@H]1C[C@@H]1c1cccc(Cl)c1 58341074 ISCDKVGXFKQCPH-CHWSQXEVSA-N 249.741 2.970 0 40 BFAB CNC[C@H](OC)c1ccccc1C(F)(F)F 62711521 OEZMRJUEZMFVHF-JTQLQIEISA-N 233.233 2.612 0 40 BFAB COC(=O)c1ncccc1-c1ccc(F)cc1 72209373 ROOSDYMXOSHVRT-UHFFFAOYSA-N 231.226 2.674 0 40 BFAB Cc1oc(C(F)(F)F)c(C(=O)O)c1C 75892568 DGGXCYSSPKHSIC-UHFFFAOYSA-N 208.135 2.613 0 40 BFAB O=C(O)CCc1cc(F)cc(Br)c1 84194139 PDMJKDFURQRTMA-UHFFFAOYSA-N 247.063 2.605 0 40 BFAB CNC(=O)[C@H]1C[C@@H]1c1cccc2ccccc12 89385852 SMZXNEOIMHKSIC-KGLIPLIRSA-N 225.291 2.689 0 40 BFAB Cc1cccc([C@@H](OCC(=O)O)C(F)(F)F)c1 95096404 VNSLSJYTNHXRAR-SNVBAGLBSA-N 248.200 2.700 0 40 BFAB CC(C)N(C(=O)[C@H]1C[C@H]1c1cccnc1)C1CC1 95957236 GBCHQCSAPQYIKD-KBPBESRZSA-N 244.338 2.585 0 40 BFAB OC[C@H]1C=C[C@@H](N[C@@H]2CCCc3ccccc32)C1 97371045 IMWJSWAZJHWXRF-JGGQBBKZSA-N 243.350 2.591 0 40 BFAB Cc1cn2cc(Cl)cc(Cl)c2n1 98086092 WOYDSOZBFMMMOZ-UHFFFAOYSA-N 201.056 2.950 0 40 BFAB CCOC(=O)Cc1c[nH]c2cc(C)ccc12 101965456 GYORRFXNIOZILF-UHFFFAOYSA-N 217.268 2.582 0 40 BFAB C[C@H]1Oc2cc(Cl)cc(Cl)c2C1=O 105738372 BFNCFKZINSTEPA-SCSAIBSYSA-N 217.051 2.957 0 40 BFAB COC(=O)C[C@H]1COc2ccc3ccccc3c21 135772904 LWSWQCOEEGLFNJ-NSHDSACASA-N 242.274 2.879 0 40 BFAB C[C@H](c1ccccc1)N1CCN[C@@H]2CCCC[C@H]21 218839061 IGOISJROXVLNGR-FVQBIDKESA-N 244.382 2.964 0 40 BFAB CN[C@H](CF)c1ccc(Br)cc1 1535640400 CZEZXPYPGYOLDA-SECBINFHSA-N 232.096 2.679 0 40 BFAB CCC(=O)c1cc(OC)c(OC)cc1C 1701371 UAPXQAMITOIXQM-UHFFFAOYSA-N 208.257 2.605 0 40 BFAB O=Cc1ccc(-c2ccc(C(=O)O)s2)o1 2458577 VLRKCRJGICMNJH-UHFFFAOYSA-N 222.221 2.519 0 40 BFAB CC(=O)[C@H]1CC[C@@H](c2ccccc2)CC1=O 3194807 JTWJDOHDQKMEDY-CHWSQXEVSA-N 216.280 2.728 0 40 BFAB c1c[nH]c(C23CC4CC(CC(C4)C2)C3)n1 5464315 BAMREGSUDFYWTC-UHFFFAOYSA-N 202.301 2.878 0 40 BFAB CCOC(=O)c1[nH]c2sc(C)c(C)c2c1N 6804670 PZCXPJSIUSQLTN-UHFFFAOYSA-N 238.312 2.605 0 40 BFAB Cc1ccc(C)c(NC(=S)NC(C)C)c1 7522018 DDWQCORXZFJGKF-UHFFFAOYSA-N 222.357 2.998 0 40 BFAB CC[C@H](C)C(=O)Nc1ccc(N)cc1C 8703467 PIPFUQPZIODIGO-QMMMGPOBSA-N 206.289 2.562 0 40 BFAB CC1(C)Cc2nc(Cl)ccc2[C@@H](O)C1 11919790 PLZSQKSUSQGCJR-VIFPVBQESA-N 211.692 2.741 0 40 BFAB Nc1ccn(Cc2ccccc2C(F)(F)F)n1 11920284 UBKGXDQDKOEEEL-UHFFFAOYSA-N 241.216 2.532 0 40 BFAB Cc1[nH]c2ccccc2c1C(=O)N1CCCC1 12914224 WQLZFUJCOLVBQR-UHFFFAOYSA-N 228.295 2.712 0 40 BFAB C[C@@H]1Oc2c(C(=O)N3CCCC3)cccc2[C@@H]1C 32820035 AQICUQZJCACHLG-MNOVXSKESA-N 245.322 2.807 0 40 BFAB C[C@H](NC(N)=S)c1ccc(Cl)cc1Cl 34971884 TZOJBQPAHVWAOP-YFKPBYRVSA-N 249.166 2.888 0 40 BFAB in-vitro C[C@H](Cc1cccc(Br)c1)C(=O)O 37462488 WAXFQFBSRDYONP-SSDOTTSWSA-N 243.100 2.712 0 40 BFAB in-vitro CC(C)=CC(=O)Nc1ccc(Cl)cn1 40049291 YGEVILRIKUDXBK-UHFFFAOYSA-N 210.664 2.640 0 40 BFAB COc1ccc(CCNCC(C)(C)C)cc1 41051088 BBTDGWPVYMURHU-UHFFFAOYSA-N 221.344 2.873 0 40 BFAB in-vitro O=C1Cc2cc(-c3cccc(F)c3)ccc2N1 41248016 HWBHXYGZYPOGPG-UHFFFAOYSA-N 227.238 2.987 0 40 BFAB NCC12CCC(C(F)(F)F)(CC1)CC2 44460212 OEBUWIWEOKGLDV-UHFFFAOYSA-N 207.239 2.848 0 40 BFAB COc1cc(N)ccc1N1CCCC[C@@H]1C 57363446 PIPYQYYDKVTYKA-JTQLQIEISA-N 220.316 2.656 0 40 BFAB CCOC(=O)c1ccc(C)c(OCC)c1 59714481 JEUNHRSFFDHSOX-UHFFFAOYSA-N 208.257 2.570 0 40 BFAB CCCC[C@@H]1CCC[C@@H]1NC(=O)[C@@H](C)OCC 68709744 LWVSAJAAMVUGDI-UPJWGTAASA-N 241.375 2.887 0 40 BFAB OCc1cccc(OCCC(F)(F)F)c1 70914149 PNCSEGMTWYLLOR-UHFFFAOYSA-N 220.190 2.510 0 40 BFAB C[C@@H](CC(=O)Nc1ccccc1)[C@@H]1CCCNC1 72208246 MPUZAHBAHORFIS-QWHCGFSZSA-N 246.354 2.651 0 40 BFAB CCCN1CCC[C@H]1c1cnc(NC)c(C)c1 72218982 KOVRZJRBSSAJDY-ZDUSSCGKSA-N 233.359 2.979 0 40 BFAB CCCN1CCC[C@@H]1c1ccnc(C)c1 72219459 SMSCPQHKHTXATC-CYBMUJFWSA-N 204.317 2.937 0 40 BFAB c1cc(NC2CCCC2)nc([C@H]2CCCNC2)c1 72386446 FJCCUHXDNXVUPX-LBPRGKRZSA-N 245.370 2.903 0 40 BFAB Nc1cccc2c1CCN2Cc1ccccc1 79421015 YUJIYDFLSDUURJ-UHFFFAOYSA-N 224.307 2.832 0 40 BFAB CCOC(=O)c1ccc(CSC)cc1 82238036 PTYLJIKSNUOZHZ-UHFFFAOYSA-N 210.298 2.726 0 40 BFAB C[C@H]1Cc2c(Br)cccc2[C@@H]1O 86721615 ZNUYQILMSVDWLL-QUBYGPBYSA-N 227.101 2.675 0 40 BFAB O=C([C@@H]1CCCO1)N1CCCCc2ccccc21 89858394 WNUXIUMPRITNLY-AWEZNQCLSA-N 245.322 2.535 0 40 BFAB NCc1cncc(-c2ccccc2Cl)c1 91351611 BMWZMIYVCCCQQD-UHFFFAOYSA-N 218.687 2.861 0 40 BFAB O=C(O)[C@H]1CCC[C@@H](C(=O)c2ccccc2)C1 91676077 LCOMXIQTOGETME-NEPJUHHUSA-N 232.279 2.760 0 40 BFAB Cc1cc(NC(=O)[C@H]2CC=CCC2)sn1 98016405 MSJUZFYZOFHTPS-VIFPVBQESA-N 222.313 2.746 0 40 BFAB Cc1ccc(CN(C)C(=O)[C@H]2C[C@H]3C=C[C@H]2C3)o1 102252754 RYLVLDKJUKDXMD-OBJOEFQTSA-N 245.322 2.759 0 40 BFAB C[C@H](C1CC1)n1nc(C(F)(F)F)cc1O 116604311 LBIWQPPEZCNYTL-RXMQYKEDSA-N 220.194 2.579 0 40 BFAB FC(F)(F)c1cccc(C2CCNCC2)n1 142595286 SQQUUYMJUDXUGH-UHFFFAOYSA-N 230.233 2.567 0 40 BFAB COC(=O)OCCCC(F)(F)C(F)(F)F 169795726 OYROKLIGAZOWDQ-UHFFFAOYSA-N 236.136 2.747 0 40 BFAB Cc1noc([C@H](C)SCC[C@@H]2CCCO2)n1 195576802 BXORNHOOZUNCTR-WPRPVWTQSA-N 242.344 2.741 0 40 BFAB COc1c(F)cc(C(C)=O)cc1Br 214471237 SJXQGIGJAZRIQI-UHFFFAOYSA-N 247.063 2.799 0 40 BFAB Cc1ncc(CCNC(=O)OC(C)(C)C)s1 225748430 BMGDLYCTPGGTCL-UHFFFAOYSA-N 242.344 2.519 0 40 BFAB C[C@@H](O)c1ccc(C(F)(F)F)nc1Cl 235231520 YRZVYDSIKQJDLA-SCSAIBSYSA-N 225.597 2.807 0 40 BFAB O=C(Nc1cccs1)N1CC=CCC1 238825784 DSEADCISHGBGJB-UHFFFAOYSA-N 208.286 2.542 0 40 BFAB N#Cc1ccc(CN2C3CCC2CC3)cc1 398897931 JYENYGJCSJSPMJ-UHFFFAOYSA-N 212.296 2.685 0 40 BFAB O=C(O)[C@H]1C[C@H]1c1cccc(OCC(F)F)c1 408716646 PBYAJEUPVXBXEU-UWVGGRQHSA-N 242.221 2.519 0 40 BFAB CC=C1C[C@@H]2CC[C@H](C1)N2c1ncccn1 1775995570 WCSYKAFLVSXEGQ-TXEJJXNPSA-N 215.300 2.554 0 40 BFAB CSc1nccc(N(C)Cc2ccccc2)n1 1889130560 MCVYCZHKOHYMKH-UHFFFAOYSA-N 245.351 2.835 0 40 BFAB COc1cccc(C(=O)N(C)c2ccccc2)c1 30011 WEWQWPBVOOSUPN-UHFFFAOYSA-N 241.290 2.972 0 40 BFAB C[C@@H]1C(=O)O[C@@H](c2ccccc2)C(C)(C)C1=O 194873 UMJRKBNYWMJTJT-CABZTGNLSA-N 232.279 2.516 0 40 BFAB Cc1c(Cl)cccc1NC(=O)[C@@H]1CCCO1 804572 BKWNJEPRFSSIFE-NSHDSACASA-N 239.702 2.766 0 40 BFAB O=Cc1nnn(-c2ccccc2)c1-c1ccccc1 1710449 DTEDBAVDZJBNOJ-UHFFFAOYSA-N 249.273 2.747 0 40 BFAB biogenic COc1ccc(CNc2cccc(O)c2)cc1O 1719371 LPJNNBGOMYVZQA-UHFFFAOYSA-N 245.278 2.719 0 40 BFAB O=C(O)CCCCCCC(=O)C1CCC1 2243659 PFFDQUOOAOYQHO-UHFFFAOYSA-N 212.289 2.781 0 40 BFAB Cc1ccc2occ(Br)c(=O)c2c1 2583686 MSGSIDWZOPALIZ-UHFFFAOYSA-N 239.068 2.864 0 40 BFAB in-vitro COc1ccccc1CN1CCCCC1 3627916 VMXYGBRFPZQIIH-UHFFFAOYSA-N 205.301 2.681 0 40 BFAB C[C@H](O)CCc1ccc2c(c1)N[C@@H](C)CC2 3844786 VQCFFZSNUJTBPB-QWRGUYRKSA-N 219.328 2.747 0 40 BFAB biogenic CCCC[C@@H](CC)[C@H](O)[C@@H](C)[C@@H](C)O 4578625 LJGRJTMTDBCJEG-IRCOFANPSA-N 202.338 2.581 0 40 BFAB COc1ccc(C(=O)N2CCC[C@@H](C)C2)cc1 5515830 KNMLGRITKHIXLO-LLVKDONJSA-N 233.311 2.567 0 40 BFAB CCC(=O)Nc1ccc(C(=O)OC(C)C)cc1 5950754 IPTMNIPWWRAEMC-UHFFFAOYSA-N 235.283 2.600 0 40 BFAB O=[N+]1C=C(c2ccccc2)N(O)[C@H]2CCCC[C@@H]21 6229176 BXRVULKUDXECHN-STQMWFEESA-N 245.302 2.780 0 40 BFAB COc1ccccc1CNC(=O)C[C@@H]1C=CCC1 8136314 NBOIGXZURBHSAT-GFCCVEGCSA-N 245.322 2.668 0 40 BFAB CC[C@@H]1CN(C(=O)Nc2ccc(C)cc2)CCO1 12892200 NJMCGYOUVFUPKO-CYBMUJFWSA-N 248.326 2.638 0 40 BFAB O=C(C1CC1)N1CCC[C@H]2CCCC[C@H]21 12953346 JEEWWSZOQQMYRG-ZYHUDNBSSA-N 207.317 2.578 0 40 BFAB Cc1ccccc1O[C@@H]1CCCC[C@H]1N 19404136 PIGQDOZIAWUYHV-DGCLKSJQSA-N 205.301 2.644 0 40 BFAB in-vitro Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 19736578 AEMBEDJANFYSAP-UHFFFAOYSA-N 236.290 2.927 0 40 BFAB CC(C)N(Cc1ccccc1)C[C@H]1CCCNC1 20072401 XOCIXSPXICDNGC-INIZCTEOSA-N 246.398 2.897 0 40 BFAB CC[C@H](Oc1cccc2ccccc12)C(=O)NC 22519566 TUKHELVOKCZDNS-ZDUSSCGKSA-N 243.306 2.743 0 40 BFAB Cc1ccnc(-c2ccccc2)c1C(=O)O 34331989 XSYIICJOGYZMQZ-UHFFFAOYSA-N 213.236 2.755 0 40 BFAB Nc1cnccc1C(=O)c1ccccc1Cl 34751836 YQGHCIRLUQSNTH-UHFFFAOYSA-N 232.670 2.548 0 40 BFAB C[C@@H](C[C@H]1N[C@H](C(=O)O)CS1)CC(C)(C)C 35572326 VZWJVYMROVOSTA-GUBZILKMSA-N 245.388 2.565 0 40 BFAB O=C(c1ccccc1)N1CCOC12CCCCC2 35671104 QKIUGEKIYMSQOT-UHFFFAOYSA-N 245.322 2.819 0 40 BFAB O=C(c1ccccc1)c1c[nH]c2ccccc2c1=O 38878872 WNJRGBVVERKHJH-UHFFFAOYSA-N 249.269 2.759 0 40 BFAB C[C@H](CCO)c1ccc(Br)cc1 41250805 SZZYXAIXWPKHOB-MRVPVSSYSA-N 229.117 2.935 0 40 BFAB CC(C)[C@@H](C)NC(=O)NCc1cccs1 48406822 YPOKHAIBOWRSPQ-SECBINFHSA-N 226.345 2.592 0 40 BFAB CNC(=O)Nc1cccc(-c2nccs2)c1 48697708 YXVRONDLMCVVJQ-UHFFFAOYSA-N 233.296 2.561 0 40 BFAB Cc1ccc(CC(=O)Nc2ncccc2C)cc1 57529762 XXSIAJULELWLGG-UHFFFAOYSA-N 240.306 2.880 0 40 BFAB COc1ccc([C@@H](NC(C)=O)C(C)C)cc1 58263949 RTAYKUZTGUIHBT-ZDUSSCGKSA-N 221.300 2.528 0 40 BFAB CCN(C)c1ccc([C@H](N)c2ccccc2)cn1 72225247 YPFDETXZMOUHHF-OAHLLOKOSA-N 241.338 2.586 0 40 BFAB O=C1CCCC[C@@H](c2nccc3ccccc23)N1 85385350 MWKUMIYNXVUGRW-ZDUSSCGKSA-N 240.306 2.966 0 40 BFAB COCCSCc1ccc(-n2ccnc2)cc1 95406541 IKMTTXBIZXFDOC-UHFFFAOYSA-N 248.351 2.752 0 40 BFAB O=C(OCc1c(F)cccc1F)c1cccnc1 97049139 MFBWYLMYFBKGGH-UHFFFAOYSA-N 249.216 2.717 0 40 BFAB CCOC(=O)C1(c2ccc(F)cc2)CCC1 97109570 DLAOEWFRYGTBGF-UHFFFAOYSA-N 222.259 2.811 0 40 BFAB CCS(=O)(=O)Nc1c(C)cc(Cl)cc1C 97164241 DVTDMOZCEBXRFV-UHFFFAOYSA-N 247.747 2.718 0 40 BFAB Cc1ccc(C(=O)[C@@H]2CCCC2=O)cc1 105748082 FKYCAUDUFLIHBQ-LLVKDONJSA-N 202.253 2.547 0 40 BFAB CC(=O)Oc1ccccc1C(=O)C(C)(C)C 147677655 JZJFFUIEGFDSRD-UHFFFAOYSA-N 220.268 2.841 0 40 BFAB CC[C@H](CC(=O)N(C)C)c1ccc(C)cc1 155591305 LRTHOBWZFUBNGQ-GFCCVEGCSA-N 219.328 2.967 0 40 BFAB COC(=O)c1cc2ccc(C)cc2nc1Cl 242495411 GECSURWXPSUMEA-UHFFFAOYSA-N 235.670 2.983 0 40 BFAB COC(=O)CCC1CCC(F)(F)CC1 256052203 MIFOFDNGGUKBEV-UHFFFAOYSA-N 206.232 2.765 0 40 BFAB CC(C)(C)c1nc2ccccc2c(C(=O)O)c1O 257197476 APXPBHPQIVHZCI-UHFFFAOYSA-N 245.278 2.936 0 40 BFAB Fc1ccc(Nc2ccnc(C3CC3)n2)nc1 1775995159 FUYIHYXEUHPJRE-UHFFFAOYSA-N 230.246 2.632 0 40 BFAB Cc1c(Br)cnc(F)c1Cl 1857794321 FILAXTOKBHZWBV-UHFFFAOYSA-N 224.460 2.945 0 40 BFAB CCC(=O)Nc1cc2c(C)cc(=O)oc2cc1C 194526 AXWOGEDTSIDGMM-UHFFFAOYSA-N 245.278 2.758 0 40 BFAB CCOC(=O)CCC(=O)c1cccc(Cl)c1 2378909 KPAPWOAZDOMSPX-UHFFFAOYSA-N 240.686 2.866 0 40 BFAB CCOC(=O)CCCCCCC(=O)CC 2379047 PHTQADCCSVKUPH-UHFFFAOYSA-N 214.305 2.869 0 40 BFAB Clc1cc(Cl)cc(CC2OCCO2)c1 2529058 XFEXAYIHSIXNGT-UHFFFAOYSA-N 233.094 2.909 0 40 BFAB CCCC[C@]1(C)Cc2ccccc2C(=O)N1 4141450 IKSYTJSORSQIDQ-CQSZACIVSA-N 217.312 2.921 0 40 BFAB biogenic COC(=O)c1sccc1NC(=O)C(C)(C)C 4155287 UMECWUPJPGGLTL-UHFFFAOYSA-N 241.312 2.519 0 40 BFAB Fc1cnc(Cl)nc1N1CCc2ccccc21 4708054 SUIUQTRXVIYCCC-UHFFFAOYSA-N 249.676 2.963 0 40 BFAB C[C@@H](NC(=O)c1ccccc1F)c1ccco1 8360269 FPGIQPYXWISMEM-SECBINFHSA-N 233.242 2.910 0 40 BFAB COc1ccc2nc(Cl)c([C@H](C)O)cc2c1 11727529 IDCPSDSOCDVNKM-ZETCQYMHSA-N 237.686 2.950 0 40 BFAB Cc1ccc(C)c(OCCNC(C)C)c1 19737972 SFYNSOKNIWZTOH-UHFFFAOYSA-N 207.317 2.680 0 40 BFAB CCCNC(=O)[C@H](CC)Oc1cccc(C)c1C 20483693 FRDIRECDPCFKRM-ZDUSSCGKSA-N 249.354 2.987 0 40 BFAB O=C(NCc1cccs1)c1ccc(Cl)o1 21328962 ROTCRCPYGPDVSA-UHFFFAOYSA-N 241.699 2.925 0 40 BFAB CCOC(=O)c1[nH]c2cc(Cl)ccc2c1N 26898332 DZOWEBWRGGYLFR-UHFFFAOYSA-N 238.674 2.580 0 40 BFAB CC(=O)C(C)(C)COCc1ccccc1 34484904 GCEWYAUVJWQAGR-UHFFFAOYSA-N 206.285 2.818 0 40 BFAB ClC1(Cl)C[C@H]1Cn1nnc2ccccc21 35144388 QSBKMHCPCLXRAF-ZETCQYMHSA-N 242.109 2.625 0 40 BFAB Nc1ccccc1NC(=O)C[C@@H]1C=CCC1 36269978 IQVUGXWFXKDEOI-SNVBAGLBSA-N 216.284 2.564 0 40 BFAB in-vitro CCC[C@@H](C)N1Cc2cccc(N)c2C1 36683508 WUXZIMTVPUKZAI-SNVBAGLBSA-N 204.317 2.773 0 40 BFAB in-vitro CC(C)(C)c1ccccc1NC(=O)CNC1CC1 37390184 IABRXODCYWUUSJ-UHFFFAOYSA-N 246.354 2.675 0 40 BFAB CCC(C)(C)NC(=O)CCOc1ccccc1 40161646 BJRMJPCHZDROLY-UHFFFAOYSA-N 235.327 2.760 0 40 BFAB CC[C@@H](C)n1c(C=O)nc2ccccc21 40163902 FCROJZBBXCOLIM-SECBINFHSA-N 202.257 2.820 0 40 BFAB O[C@H]1CCCc2c(Br)cccc21 40443054 JEDJGVSGTZKGFJ-JTQLQIEISA-N 227.101 2.819 0 40 BFAB CC(C)NC(=O)Cc1cccc(C(F)(F)F)c1 40457499 YDHKNFSBTYRYLQ-UHFFFAOYSA-N 245.244 2.773 0 40 BFAB Cc1ccsc1CNC(=O)Nc1cccnc1 40501890 POUWTZXSWSGFKY-UHFFFAOYSA-N 247.323 2.773 0 40 BFAB CCCc1ccccc1OC1CCNCC1 42776246 NPHSIYPHBWDXQT-UHFFFAOYSA-N 219.328 2.770 0 40 BFAB OCc1ccc(OCc2cccnc2)c(Cl)c1 43490287 OZKNOAZGIONJJK-UHFFFAOYSA-N 249.697 2.806 0 40 BFAB CCCOc1ccc(C(=O)OCC)cc1 43503661 PMOIVLMXMSZLGY-UHFFFAOYSA-N 208.257 2.652 0 40 BFAB CCCS(=O)(=O)N(CC)c1cccc(C)c1 45929372 LNODEBBGTWMQIY-UHFFFAOYSA-N 241.356 2.561 0 40 BFAB Fc1cc2c(cc1Br)CCCN2 47845039 LFAMFIYRRFZFHT-UHFFFAOYSA-N 230.080 2.946 0 40 BFAB CC(C)(C)C(=O)Nc1cccc(F)c1F 58365031 LGJXNPKFZIWWMN-UHFFFAOYSA-N 213.227 2.949 0 40 BFAB Cc1ccc2[nH]cc(-c3cncnc3)c2c1 67955743 TZCFPRYAVKEROT-UHFFFAOYSA-N 209.252 2.933 0 40 BFAB CCCN1CCC[C@H]1c1cnc(OC)c(C)c1 72217723 DUHWBEWYIXQRNT-ZDUSSCGKSA-N 234.343 2.946 0 40 BFAB OCC1(c2cc(-c3ccc(F)cc3)on2)CC1 72220645 DNGPGQLATVYRRG-UHFFFAOYSA-N 233.242 2.505 0 40 BFAB N[C@@H](c1ccccc1)c1ccc(NC2CC2)nc1 72225706 SVKSCYJSIBETBK-HNNXBMFYSA-N 239.322 2.704 0 40 BFAB O=C(O)C1(c2c(F)cccc2F)CCCC1 83049133 XSYFSZLBJOGMFQ-UHFFFAOYSA-N 226.222 2.861 0 40 BFAB NCCc1cc(Cl)cc(Br)c1 84530245 IJAULNMYVSGXQZ-UHFFFAOYSA-N 234.524 2.604 0 40 BFAB COc1cccc([C@@H](C)OC(=O)C2CC2)c1 84656254 LJJAJSLKWHEJAU-SECBINFHSA-N 220.268 2.709 0 40 BFAB COc1ccnc(CSCC2CC2)c1 97094896 OTVHDNDIPRSJGV-UHFFFAOYSA-N 209.314 2.733 0 40 BFAB C[C@H](C[S@@](C)=O)N(C)CC1CCCCCC1 97161730 MHAFJMQSUSNTMC-WBMJQRKESA-N 245.432 2.656 0 40 BFAB CO/C(=C(\OC)C(F)(F)F)C(F)(F)F 97437790 RPFSISQUSPIRRJ-ARJAWSKDSA-N 224.100 2.615 0 40 BFAB C[C@H]1O[C@H](C)[C@H](C)[C@H](c2ccccc2O)O1 101105846 OSYQUVFLQIPNCW-MPXOCVNLSA-N 222.284 2.851 0 40 BFAB COC(=O)c1c(C)c(Cl)c2ccccn12 217659722 CGGKKQCJLCNNPX-UHFFFAOYSA-N 223.659 2.688 0 40 BFAB Cc1ccc(N[C@@H]2CCCC[C@H]2N)c(C)c1 218861627 LPIYJBLJVCPZGY-TZMCWYRMSA-N 218.344 2.985 0 40 BFAB CS[C@@H]1CCN(C(=O)CC2CCCC2)C1 225614382 QCPGMMJPECADLI-LLVKDONJSA-N 227.373 2.531 0 40 BFAB O=C(c1ccc2c(n1)CCC2)C1CCC1 242677015 SVALMDYDYIOZKZ-UHFFFAOYSA-N 201.269 2.553 0 40 BFAB COc1ccc(C2(CN)CCCCC2)cc1OC 209783 YQWMHCBHGKRRPV-UHFFFAOYSA-N 249.354 2.864 0 40 BFAB Cc1cc2[nH]c(-c3ccc(N)cc3)nc2cc1N 235516 DEDPGHOISADEIE-UHFFFAOYSA-N 238.294 2.703 0 40 BFAB CCOc1ccc2c(c1)c(C=O)c(C)n2C 4384208 XXSHTSRDVQADFE-UHFFFAOYSA-N 217.268 2.698 0 40 BFAB CN(Cc1ccccc1)C[C@@H]1[C@@H](O)[C@H]2CC[C@@H]1C2 4900825 PHMYEAYOKNYDGR-UGUYLWEFSA-N 245.366 2.525 0 40 BFAB O=C(Nc1cnc2ccccc2c1)C1CC1 5590244 LXOVJRMGPSCTSB-UHFFFAOYSA-N 212.252 2.583 0 40 BFAB CC(=O)[C@H](C)C(=O)Nc1ccc(Cl)cc1 5721449 XHVLTXIWHJWBAD-ZETCQYMHSA-N 225.675 2.504 0 40 BFAB CC(=O)CC(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 5809901 QSVQIPXQOCAWHP-WCFLWFBJSA-N 240.343 2.970 0 40 BFAB biogenic Cc1ccc(-c2csc(=N)n2C)cc1 5814829 XYYLLXQXRHHTDN-UHFFFAOYSA-N 204.298 2.541 0 40 BFAB Nc1cccc(OCCOc2ccc(F)cc2)c1 6678586 OERGDFWTXIFCCQ-UHFFFAOYSA-N 247.269 2.866 0 40 BFAB Cc1cc(NC(=O)C2CCCC2)ccc1N 8703495 UNLJDMRBRGBQEV-UHFFFAOYSA-N 218.300 2.706 0 40 BFAB O=C(NCCc1ccco1)Nc1ccc(F)cc1 9609517 SSLPSNNKRZWIBL-UHFFFAOYSA-N 248.257 2.783 0 40 BFAB Nc1cc(-c2ccccc2)cnc1Cl 11919462 NUOVFLZQUOSURJ-UHFFFAOYSA-N 204.660 2.984 0 40 BFAB Cc1cccc(C(=O)Nc2ccccc2C)n1 12944811 SKVBQYWZPZWKJA-UHFFFAOYSA-N 226.279 2.951 0 40 BFAB Nc1ccc(Cl)cc1C(=O)Oc1ccccn1 13284354 MWDREHCYLYMJMR-UHFFFAOYSA-N 248.669 2.536 0 40 BFAB NCC1c2ccccc2Cc2ccccc21 13473096 GEICAQNIOJFRQN-UHFFFAOYSA-N 209.292 2.681 0 40 BFAB in-vivo Clc1ccc(CNC[C@H]2CCCO2)s1 20055658 ZGMVVTLCTRWDMM-MRVPVSSYSA-N 231.748 2.670 0 40 BFAB CC(C)c1ccc([C@@H](C)N2CCNCC2)cc1 20264238 SZYPNPJKVLKOFF-CYBMUJFWSA-N 232.371 2.776 0 40 BFAB N[C@H](Cc1ccccc1)CN1CCCCCCC1 20266238 PXQHXBIFPYQUGB-MRXNPFEDSA-N 246.398 2.823 0 40 BFAB O=C(O)c1cc(N2CCCC2)ccc1Cl 21948235 ARQHDZOZYQHAQM-UHFFFAOYSA-N 225.675 2.638 0 40 BFAB Cc1c(N)cccc1C(=O)N[C@@H]1CCCC[C@@H]1C 22162999 FPQBTQGTUGVXQU-IINYFYTJSA-N 246.354 2.886 0 40 BFAB CC(=O)c1c[nH]c(C(=O)NC2CCC(C)CC2)c1 24002892 WPZUXXGPXRGVCU-UHFFFAOYSA-N 248.326 2.526 0 40 BFAB CCOC(=O)C1=C(C)Sc2ccccc2N1 26469011 RBKKKOYKNALEQS-UHFFFAOYSA-N 235.308 2.999 0 40 BFAB CC(C)CCNC(=O)c1cc(F)ccc1F 28210781 XMAGTLNLLZCBBF-UHFFFAOYSA-N 227.254 2.741 0 40 BFAB Cc1noc2nc(Cl)cc(Cl)c12 32302332 NKUFLHBJXGNYRU-UHFFFAOYSA-N 203.028 2.838 0 40 BFAB O=C(NCc1ccco1)c1c[nH]c2ccccc12 35133709 FTOAKKUYBYWDBX-UHFFFAOYSA-N 240.262 2.691 0 40 BFAB CCCNC1CCN(c2ccccc2)CC1 37241755 LITIGRBRRFMRQV-UHFFFAOYSA-N 218.344 2.655 0 40 BFAB Cc1oc(-c2ccc(Cl)cc2)nc1CN 39320609 HUHRDOGYGHGFAS-UHFFFAOYSA-N 222.675 2.762 0 40 BFAB Cc1cc(Cl)cnc1NC(=O)c1ccco1 41107528 XVFYBWSYEZNEPX-UHFFFAOYSA-N 236.658 2.889 0 40 BFAB Cc1cc(O[C@H]2CCCNC2)ccc1Cl 42782836 RKJHPBLJHUALFW-NSHDSACASA-N 225.719 2.779 0 40 BFAB CNC[C@H]1C[C@@]1(C)c1ccccc1Cl 54590101 CAFGHEVVMLHRPY-BXKDBHETSA-N 209.720 2.837 0 40 BFAB Cc1nc(C(C)(C)C)sc1C(=O)NC1CC1 58411669 PCPWOOKDQDZPSV-UHFFFAOYSA-N 238.356 2.641 0 40 BFAB CCN(C)C(=O)C(=O)c1ccc(C(C)(C)C)cc1 64290549 XZEYXYQKAKKNLU-UHFFFAOYSA-N 247.338 2.645 0 40 BFAB COc1ccccc1[C@H]1CCCNCC1 71509666 YNWPZGRIGSBCGX-NSHDSACASA-N 205.301 2.552 0 40 BFAB CCC[C@H]1CCCC[C@H]1NC(=O)NCC 71796301 JGIMTQYGTUYZSK-WDEREUQCSA-N 212.337 2.664 0 40 BFAB CN1CCCC[C@@H]1c1cc(C(F)(F)F)[nH]n1 72381240 YMDGGBACZFAWNI-MRVPVSSYSA-N 233.237 2.585 0 40 BFAB CN(C)C(=O)c1cccc(Oc2nccs2)c1 75669639 LIFLXMLWIKGRGK-UHFFFAOYSA-N 248.307 2.637 0 40 BFAB Cn1ncc2cc(-c3ccncc3)ccc21 76188792 JGVLZLSIZGHWQF-UHFFFAOYSA-N 209.252 2.635 0 40 BFAB C[C@H]1CN(C(=O)C2CCCC2)C[C@@H](C)S1 80949748 PWKVBMXYNYNRHT-AOOOYVTPSA-N 227.373 2.529 0 40 BFAB CN[C@@H]1COc2c(Cl)cc(Cl)cc2C1 90505516 BEJHENNKHSMTPQ-QMMMGPOBSA-N 232.110 2.516 0 40 BFAB CC(C)COc1ccc(CCO)cc1Cl 95732110 GWLSWCWQRDLSKR-UHFFFAOYSA-N 228.719 2.910 0 40 BFAB Cc1cc(C)n(C[C@H](C)Nc2cccc(F)n2)n1 96429282 ROLNEJZALIOOHI-JTQLQIEISA-N 248.305 2.535 0 40 BFAB CCc1nc(C(C)C)nc(Cl)c1F 108376733 PFVFBRJURWLJPX-UHFFFAOYSA-N 202.660 2.955 0 40 BFAB CO[C@H](C)[C@H](C)NC[C@@H](C)c1ccccc1 132090953 MXKYFMSRBKHODR-FRRDWIJNSA-N 221.344 2.803 0 40 BFAB CC(F)(F)c1ccnc(Br)c1 215761479 QJQIOIGWMUPNLB-UHFFFAOYSA-N 222.032 2.956 0 40 BFAB C[C@@H]1C[C@@](C)(C(=O)O)CC12SCCS2 217893663 MNASLHKBLVRWNY-VXNVDRBHSA-N 232.370 2.684 0 40 BFAB CC[C@H](C)n1c(C)cc(CNCCOC)c1C 223676274 HBLPTSZDXYYGPK-NSHDSACASA-N 238.375 2.812 0 40 BFAB CCN(c1ccc(Cl)cc1)[C@@H](C)C(=O)O 224988719 GSTWMHSTSFNZHO-QMMMGPOBSA-N 227.691 2.639 0 40 BFAB CCN(c1cccc(C)c1C)[C@H](C)C(=O)O 260680942 YTIZRCGPCSMFFX-LLVKDONJSA-N 221.300 2.603 0 40 BFAB c1ccc2oc(N3C4CCC3CC4)nc2c1 613401686 LPJALFJLINEFJH-UHFFFAOYSA-N 214.268 2.959 0 40 BFAB Cc1cccc(C(=O)N2CCC[C@H](C)C2)c1 304771 SRHJVQDFOIXHFI-LBPRGKRZSA-N 217.312 2.867 0 40 BFAB C[C@](Cl)(c1ccccc1)C1OCCO1 1607869 HAQRIJKEVKFQHK-NSHDSACASA-N 212.676 2.514 0 40 BFAB O=c1ccc2c(Br)cccc2o1 1621365 ZBZOUPQOVMAVPH-UHFFFAOYSA-N 225.041 2.556 0 40 BFAB COc1ccc(C(=O)Cc2ccccn2)cc1 1675475 YDDIGUFGIDJEEM-UHFFFAOYSA-N 227.263 2.516 0 40 BFAB in-vitro O=C1OCCN1c1ccc(Cl)c(Cl)c1 2171552 PKBAGPKKXQCCBT-UHFFFAOYSA-N 232.066 2.950 0 40 BFAB CCOc1cccc(-c2csc(N)n2)c1 3722649 PDBDQXKEOHSFBS-UHFFFAOYSA-N 220.297 2.791 0 40 BFAB Cc1cc(CN)c2[nH]c3c(c2c1)CCCC3 4943461 SQJBXTLGFWHKQB-UHFFFAOYSA-N 214.312 2.814 0 40 BFAB CCOc1ccc2[nH]c3c(S)ncnc3c2c1 5906844 SLYKZVBDPIHHSP-UHFFFAOYSA-N 245.307 2.799 0 40 BFAB O=C(O)c1cccnc1SCc1ccco1 8729663 SUMDJAAOCSPCHV-UHFFFAOYSA-N 235.264 2.665 0 40 BFAB COc1cc(NC(=O)CC(C)C)cc(OC)c1 9366259 WAGNOWDMMZLROJ-UHFFFAOYSA-N 237.299 2.688 0 40 BFAB CCCCC(=O)N[C@@H](CC(=O)O)c1ccccc1 13427744 KXSMRHCHMHJBGS-LBPRGKRZSA-N 249.310 2.509 0 40 BFAB CCCCNC(=S)Nc1cccc(F)c1 13786774 RJSJIUWUWQGNKF-UHFFFAOYSA-N 226.320 2.912 0 40 BFAB O=C(Nc1cccnc1)c1ccc(F)c(F)c1 22662132 GEALXINOAKIWDF-UHFFFAOYSA-N 234.205 2.612 0 40 BFAB Cc1ccc2c(c1)S[C@H](C(=O)NCC1CC1)C2 25574720 HXLUIXFGOKTADG-ZDUSSCGKSA-N 247.363 2.538 0 40 BFAB CC(C)c1noc(-c2ccc(O)cc2)n1 36047764 JIAKSCRPRKEHHG-UHFFFAOYSA-N 204.229 2.566 0 40 BFAB N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 37381641 BLWIIBGLWOGEQG-VXNVDRBHSA-N 201.191 2.520 0 40 BFAB Cc1cc([C@H](C)NCc2c[nH]nc2C)c(C)o1 38011294 QNBCTMCWBLNIDD-JTQLQIEISA-N 233.315 2.779 0 40 BFAB Clc1nc(Nc2ccccc2)c2nc[nH]c2n1 39151515 HKFOFMISVJXDFK-UHFFFAOYSA-N 245.673 2.750 0 40 BFAB CCOC(=O)[C@H]1C[C@@H](C(C)(C)C)CCC1=O 39416299 JHTDFSYUZRZZBQ-UWVGGRQHSA-N 226.316 2.581 0 40 BFAB in-vitro COCCc1ccc(O)c(C(=O)C(C)(C)C)c1 52068564 JXUOVEGGUXHMPU-UHFFFAOYSA-N 236.311 2.810 0 40 BFAB COC1CCN(Cc2cc(C)ccc2C)CC1 53906788 CAKWALAUSXQHHP-UHFFFAOYSA-N 233.355 2.914 0 40 BFAB Cc1cc(N)ccc1N1CCC[C@@H](C)C1 57381056 UUYHLWFKKQINAX-SNVBAGLBSA-N 204.317 2.814 0 40 BFAB in-vitro CC(C)(C)CNCc1ccc(N2CCCC2)nc1 66971847 URIIWQOJWBHIKX-UHFFFAOYSA-N 247.386 2.818 0 40 BFAB Cc1cc(COc2ccccc2F)no1 70245351 UDLPBUKGMLFAFI-UHFFFAOYSA-N 207.204 2.701 0 40 BFAB Cc1occc1C(=O)N1CCCc2ncccc21 72242273 HKNSMWMGVWTNGS-UHFFFAOYSA-N 242.278 2.576 0 40 BFAB c1nc2cc(NC3CCOCC3)ccc2s1 75171401 SAIUAIQSZCEMHB-UHFFFAOYSA-N 234.324 2.887 0 40 BFAB O=C(O)C1(c2ccccc2)CC2(CCC2)C1 83174040 GLAOKQHKICBDBX-UHFFFAOYSA-N 216.280 2.973 0 40 BFAB Clc1ncnc(C2CC2)c1Br 84198912 UPVAFAYXZVOGHH-UHFFFAOYSA-N 233.496 2.770 0 40 BFAB O=C(C[C@H]1CCCC1=O)c1ccc(F)cc1 85347833 REQDZJQRKSRCPQ-SNVBAGLBSA-N 220.243 2.768 0 40 BFAB Cc1cccc(CC2CN(C(=O)[C@@H]3C[C@H]3C)C2)c1 85459279 GGBNKMZXCMEOPA-IUODEOHRSA-N 243.350 2.652 0 40 BFAB CCc1nsc(SCc2cc(C)on2)n1 95414736 OTYRUYVDFRJIDV-UHFFFAOYSA-N 241.341 2.689 0 40 BFAB C/C(=C\C(=O)NCc1cc(C)on1)C(C)(C)C 98056105 NEZYTEBLGQCUQE-RMKNXTFCSA-N 236.315 2.592 0 40 BFAB S=C(NC1CCCC1)N[C@H]1C[C@H]2CC[C@H]1C2 110515627 WXJSSYZPESMJNR-NHCYSSNCSA-N 238.400 2.582 0 40 BFAB COCC(=O)c1csc2ccccc12 146120612 NWIIYEWXPRKZTR-UHFFFAOYSA-N 206.266 2.730 0 40 BFAB Cn1ccc2ccn(CC3CCCC3)c(=O)c21 151731749 QCFOBHHKKDGKMR-UHFFFAOYSA-N 230.311 2.530 0 40 BFAB Cc1cccc([C@@H](O)CNc2cccc(C)n2)c1 158060945 MVUQISRXNHNEOI-AWEZNQCLSA-N 242.322 2.844 0 40 BFAB CC[C@@H](C)C(=O)c1ccc(OC(C)=O)cc1 219321662 UKCRJUBMFGNCDZ-SECBINFHSA-N 220.268 2.841 0 40 BFAB Cc1ccccc1-n1cc(CO)cc1C 223751088 XKHSHBABTACUPY-UHFFFAOYSA-N 201.269 2.586 0 40 BFAB CC(C)(C)n1ncc2c1N[C@H]1CCC[C@H]1C2 225813467 NOZFEHVLHFCHCS-ONGXEEELSA-N 219.332 2.775 0 40 BFAB CCn1cc(C)nc1CNCc1ccccc1 408715197 FKQBSXNRKUFQSB-UHFFFAOYSA-N 229.327 2.501 0 40 BFAB CCCC(=O)NCC(C)(C)c1ccsc1 1565519523 QZBNHDHOQQFVIK-UHFFFAOYSA-N 225.357 2.942 0 40 BFAB CCC(=O)n1nc(C)cc1-c1ccccc1 387750 MPGUOJAMCDQHFU-UHFFFAOYSA-N 214.268 2.909 0 40 BFAB Cc1onc(-c2ccccc2)c1C(=O)NC1CC1 483804 HCUIEGLRDNPODU-UHFFFAOYSA-N 242.278 2.542 0 40 BFAB CC[C@H]1CSC(Nc2ccc(OC)cc2)=N1 1440108 UVFSATDTIMWDEQ-VIFPVBQESA-N 236.340 2.989 0 40 BFAB CCOC(=O)C(CC)(C(=O)OCC)[C@@H](C)CC 1712483 WZFGIKMWBJCRBU-JTQLQIEISA-N 244.331 2.555 0 40 BFAB in-vitro COc1cccc(-c2noc([C@@H]3CCCO3)n2)c1 2438751 BSXKPLGPZGNZJB-NSHDSACASA-N 246.266 2.597 0 40 BFAB CCOC(=O)C(CC)(C(=O)OCC)[C@H](C)CC 2577896 WZFGIKMWBJCRBU-SNVBAGLBSA-N 244.331 2.555 0 40 BFAB in-vitro CC(C)[C@@H]1C[C@@H](C)CC[C@@H]1O[C@H]1C=CC(=O)O1 4114337 CLAZQKKQQKBAAC-ZJQBRPOHSA-N 238.327 2.903 0 40 BFAB Cc1ccc([C@@H]2SCC(=O)N2C2CC2)cc1 4218588 ODMVLVQZMXVTBG-ZDUSSCGKSA-N 233.336 2.731 0 40 BFAB CC(C)(N)COC12CC3CC(CC(C3)C1)C2 4343513 CWJVYUABPMAAHS-UHFFFAOYSA-N 223.360 2.709 0 40 BFAB CCCCNC(=S)N(C)c1ccc(O)cc1 5127315 XDGBSJBAHFLKRU-UHFFFAOYSA-N 238.356 2.503 0 40 BFAB CCOCCCNCc1ccccc1OCC 6536914 GRDGDBJHUZRFHO-UHFFFAOYSA-N 237.343 2.602 0 40 BFAB O=C(O)c1ccc2nc(-c3ccsc3)[nH]c2c1 6740825 ZOXFQZQNPSLJFK-UHFFFAOYSA-N 244.275 2.990 0 40 BFAB CN(Cc1ccccc1)C(=O)c1cccc(N)c1 12403807 PLNSWOWXHSNRJQ-UHFFFAOYSA-N 240.306 2.541 0 40 BFAB CC(C)NC(=S)N1CCCc2ccccc21 13839258 DISUBFPCRDSTDZ-UHFFFAOYSA-N 234.368 2.722 0 40 BFAB CCCOc1ccccc1CNC[C@H]1CCCO1 20924403 VUJURFLEWVEXGR-CQSZACIVSA-N 249.354 2.744 0 40 BFAB Cc1ccc(CNC(=O)c2ccco2)cc1F 21865745 WBHZFUQNSLWTBD-UHFFFAOYSA-N 233.242 2.657 0 40 BFAB Cc1ccc(C)c(C(=O)[C@H](N)CC(C)C)c1 32013480 HJLKVYIFHABXLU-CYBMUJFWSA-N 219.328 2.860 0 40 BFAB CC(C)C(=O)N1C[C@H](C)c2ccccc2N1 38337647 SPKGZPLVSFIOLG-JTQLQIEISA-N 218.300 2.615 0 40 BFAB CCOCCCn1c([C@@H](C)O)nc2ccccc21 40163895 BERCSAVOVTUCOX-LLVKDONJSA-N 248.326 2.516 0 40 BFAB CCOc1cccc(OCC[C@H]2CCCCN2)c1 42773660 QBIWNWZSFAMFAT-CYBMUJFWSA-N 249.354 2.996 0 40 BFAB C[C@H]1CCCC[C@@H]1NC(=O)CC(F)(F)F 43070923 WHJAJWGWXYOJFY-YUMQZZPRSA-N 223.238 2.634 0 40 BFAB CCOC(=O)c1ccc(-c2ccc(C)nc2)o1 45028412 XYNMXXSWKMMRTA-UHFFFAOYSA-N 231.251 2.827 0 40 BFAB CN(C)c1c(Cl)cc(N)cc1Br 45885873 VNJSFMKEHYOXTE-UHFFFAOYSA-N 249.539 2.751 0 40 BFAB CC(C)CC(=O)N[C@@H](C)CCc1ccco1 47741130 FVNBPYUMNRANEC-NSHDSACASA-N 223.316 2.763 0 40 BFAB COc1ccc(OCCN(C)CC=C(C)C)cc1 52661106 MKLNYPSLSJRAGB-UHFFFAOYSA-N 249.354 2.972 0 40 BFAB CCCN(CC(=O)O)c1c(C)cc(C)cc1C 76617998 JPJUHJLTKWIGCM-UHFFFAOYSA-N 235.327 2.913 0 40 BFAB CC[C@H](C)Oc1ccc(C(=O)OC)cc1 83187537 HSFOKEFAEWVYQS-VIFPVBQESA-N 208.257 2.651 0 40 BFAB C[C@H]1CC(=O)c2c(ccc3ncccc23)O1 85399850 AWIQGJOZINCUAE-QMMMGPOBSA-N 213.236 2.589 0 40 BFAB CC(C)(C)OC(=O)N[C@@H]1CC(=O)c2ccccc21 95347708 CQKDQPYPULKMBT-LLVKDONJSA-N 247.294 2.839 0 40 BFAB O=C(O)[C@@H]1CC=CC[C@H]1C(=O)c1ccc(F)cc1 95634412 UPKLGMBIFDIGBT-VXGBXAGGSA-N 248.253 2.675 0 40 BFAB Cc1ccccc1CC1CN(C(=O)[C@@H]2C[C@@H]2C)C1 95964638 HPFFZBUQONATJE-SWLSCSKDSA-N 243.350 2.652 0 40 BFAB Cc1cc(C)n(CCOc2ccccc2F)n1 96419528 SZCRACTVKNSMCD-UHFFFAOYSA-N 234.274 2.718 0 40 BFAB CC(C)=CCC[C@H](C)NCC(=O)NC(C)(C)C 96476538 LAXTYKAVXHNFLU-LBPRGKRZSA-N 240.391 2.626 0 40 BFAB CCCN(Cc1ccco1)C[C@@H]1CCCCN1 96523995 GGXOEFBRPZWUIP-ZDUSSCGKSA-N 236.359 2.634 0 40 BFAB CC12C[C@H]3C[C@H](C1)CC(NC(=O)C1CC1)(C3)C2 101375762 IMSRRLMKRATBAY-ASNHAOSHSA-N 233.355 2.872 0 40 BFAB O=C(O)/C=C/c1cccn1-c1ccccc1 223751681 OXZVQCYXMVIMJV-CMDGGOBGSA-N 213.236 2.575 0 40 BFAB Cc1ccc(N2CCN[C@@H]3CCCC[C@@H]32)cc1 225712806 JKKFKYFPQRLDGM-CABCVRRESA-N 230.355 2.716 0 40 BFAB Clc1ccc(Br)n2cncc12 238586368 BYWKFJIMIHEAQM-UHFFFAOYSA-N 231.480 2.750 0 40 BFAB CC(C)Cn1ccc(CNCc2ccccc2)n1 256052369 NAYHDTSFQNOVIU-UHFFFAOYSA-N 243.354 2.829 0 40 BFAB CC(C)(C)N(Cc1ccnc2[nH]ccc12)C(=O)O 299803728 YTZKOTUDSDUWPI-UHFFFAOYSA-N 247.298 2.841 0 40 BFAB CC(C)(C)NCC(=O)c1c[nH]c2ccccc12 93801 USQHTJSTTGAPHW-UHFFFAOYSA-N 230.311 2.739 0 40 BFAB CC[C@@H]1C(=O)O[C@H](c2ccccc2)C(C)(C)C1=O 128453 BQISGOZGIFFRIQ-WCQYABFASA-N 246.306 2.906 0 40 BFAB CC(C)(C)Oc1ccnc(OC(C)(C)C)n1 481020 HNFSYCIQTIXGSU-UHFFFAOYSA-N 224.304 2.831 0 40 BFAB Cc1cc(NC(=O)Nc2ccccc2C)no1 1726725 KGKILTQCONQZSO-UHFFFAOYSA-N 231.255 2.935 0 40 BFAB CCCC[C@@](O)(CC(=O)O)c1ccccc1 2046524 MUETUGGWZBQYCH-CYBMUJFWSA-N 222.284 2.539 0 40 BFAB CCOC(OCC)P(=O)(OCC)OCC 2145828 XUMKWCCJJRDWAO-UHFFFAOYSA-N 240.236 2.609 0 40 BFAB CC(C)[C@]1(CC(=O)O)CCOC(C)(C)C1 4082487 HHXDMHKUPHNFMF-LBPRGKRZSA-N 214.305 2.693 0 40 BFAB biogenic CNc1nc(C)nc2c1oc1ccccc12 5216959 DOINOWLTQVLIGN-UHFFFAOYSA-N 213.240 2.726 0 40 BFAB CCOc1ccc(Nc2cc(C)n[nH]2)cc1 5659220 ZHXWWYLEJJYCLL-UHFFFAOYSA-N 217.272 2.860 0 40 BFAB CCCCNC(=S)N1[C@H](C)CCC[C@H]1C 6264332 FFTZBIUTZLWFDB-GHMZBOCLSA-N 228.405 2.924 0 40 BFAB O=C(NC[C@H]1C[C@H]2CC[C@@H]1C2)c1cccc(F)c1 6926053 AJPYURYLMKTZRR-DMDPSCGWSA-N 247.313 2.992 0 40 BFAB Cc1ccccc1Oc1ncccc1C(=O)O 8729647 PGXUFSBVOAHHHL-UHFFFAOYSA-N 229.235 2.881 0 40 BFAB O=C(Cc1nccn1C(F)F)c1ccccc1 9318755 NDTLPTRGMMOJJJ-UHFFFAOYSA-N 236.221 2.704 0 40 BFAB CCOC(=O)c1ccc(N2CCCCC2)cc1 12396243 FBLWXQXFSIWABA-UHFFFAOYSA-N 233.311 2.854 0 40 BFAB Cc1cccc(OCCCCC(=O)O)c1C 13609324 XFHAGMOSTLRGCM-UHFFFAOYSA-N 222.284 2.937 0 40 BFAB O=Cc1cc2c(cc1-c1ccccc1)OCO2 21950878 BKQHZVKIZMLDBW-UHFFFAOYSA-N 226.231 2.895 0 40 BFAB CCc1c(-c2ccccc2Cl)nn(C)c1N 26511901 BBRLFILJQLRDCC-UHFFFAOYSA-N 235.718 2.885 0 40 BFAB Cn1cc(C(=O)NC(C)(C)C)c2ccccc21 32738570 PDRFFIUYCFWPEF-UHFFFAOYSA-N 230.311 2.707 0 40 BFAB O=c1ccc(-c2ccco2)nn1C1CCCC1 38827691 MNPKEMGVNUYUHV-UHFFFAOYSA-N 230.267 2.618 0 40 BFAB Nc1c(Cl)ncnc1Nc1ccc(F)cc1 40571932 HMWYOJAWLUCMLD-UHFFFAOYSA-N 238.653 2.595 0 40 BFAB CONC(=O)N(C)Cc1ccc2ccccc2c1 45037377 LWGWOCZLKKLIRB-UHFFFAOYSA-N 244.294 2.543 0 40 BFAB CC(C)CCNC(=O)CCc1ccccc1F 47220425 NSYTVYPDTQWQQR-UHFFFAOYSA-N 237.318 2.921 0 40 BFAB CN(Cc1occc1C(=O)O)c1ccc(F)cc1 49965264 KDPVCBJCIIWYOV-UHFFFAOYSA-N 249.241 2.753 0 40 BFAB C1=C(c2cnc3ccccc3c2)CCNC1 55232311 MEJLQJVWAZRDLH-UHFFFAOYSA-N 210.280 2.612 0 40 BFAB in-vitro CC[C@H](C)C(=O)N[C@@H]1CCOc2ccccc21 57547483 VRZFSVSRERGWKE-CMPLNLGQSA-N 233.311 2.673 0 40 BFAB CCS[C@@H](C)c1ccc(C(=O)O)o1 62702088 FXOPNVYHWUOGEZ-LURJTMIESA-N 200.259 2.792 0 40 BFAB CC(C)(C)NC(=O)c1cc(-c2cccs2)n[nH]1 65427977 HTLPADKOTVVHMM-UHFFFAOYSA-N 249.339 2.667 0 40 BFAB Cc1nc(C)c(C(=O)N2CCCC[C@@H]2C)s1 65564733 FGKANSRMOQJCFI-QMMMGPOBSA-N 238.356 2.775 0 40 BFAB CC(C)Sc1nc(-c2ccccn2)no1 71916338 ULOVLEMUOHKNDJ-UHFFFAOYSA-N 221.285 2.632 0 40 BFAB COc1ccc(-c2oncc2C)cc1C 85395273 RSLVQKJYFLAARS-UHFFFAOYSA-N 203.241 2.967 0 40 BFAB CC(=O)c1cccc(OCc2ccc(C=O)o2)c1 85395353 RXFUINJUPCQWPF-UHFFFAOYSA-N 244.246 2.874 0 40 BFAB CCOC(=O)[C@H]1CCC[C@@H]1NCc1ccccc1 91369050 MQQOIBAPZYNAPG-KBPBESRZSA-N 247.338 2.508 0 40 BFAB COC(=O)CCCCC(=O)c1ccc(F)cc1 95883928 WIDGWBKXBHWWNQ-UHFFFAOYSA-N 238.258 2.742 0 40 BFAB CCCc1nnc(NCc2ccc(OC)cc2)o1 95990040 LCEXUGJVYAHJGJ-UHFFFAOYSA-N 247.298 2.643 0 40 BFAB COc1c(C)cc(N)cc1C(F)(F)F 96029407 ZFHSTWVPCFNUGW-UHFFFAOYSA-N 205.179 2.605 0 40 BFAB CCCC(=O)N[C@H]1CCC[C@H]1SCC 96450669 KSALHUBUULOPBW-VHSXEESVSA-N 215.362 2.577 0 40 BFAB Cc1ncccc1CN(C)[C@@H](C)c1cccnc1 97375276 QMCWOFRSCFDGCE-ZDUSSCGKSA-N 241.338 2.978 0 40 BFAB CC1=CC[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2C1 100395117 ASZMUCNZOBZRBK-QWHCGFSZSA-N 241.290 2.532 0 40 BFAB CO[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)O 147849588 PJMFSSBSAZXPTO-SECBINFHSA-N 249.093 2.636 0 40 BFAB CN1CCCC[C@H]1CCSc1ncco1 225445015 DODXANCKFKAPNW-JTQLQIEISA-N 226.345 2.641 0 40 BFAB CC(C)n1ncc2c1N[C@@H](C1CC1)CC2 225813319 DZGGOWSVWBYXKG-LLVKDONJSA-N 205.305 2.601 0 40 BFAB CCCC[C@H](NC)C(=O)c1ccccc1 299817090 BHIZKPHLTVLXIV-LBPRGKRZSA-N 205.301 2.648 0 40 BFAB in-vitro Cc1cc(CN2CCCC[C@H]2C(F)(F)F)on1 575606284 GTGHIBKVKICGGR-JTQLQIEISA-N 248.248 2.900 0 40 BFAB Cc1cn(Cc2ncccc2Cl)c(C)n1 631011618 ABEAZWZEPYUJCG-UHFFFAOYSA-N 221.691 2.597 0 40 BFAB CC(C)(C)OC(=O)[C@H]1CCCC[C@@H]1F 710673508 KRKYSFHPHGDPAB-IUCAKERBSA-N 202.269 2.856 0 40 BFAB COc1ccccc1C(=O)NCc1ccccc1 80644 YJJRNVSVZRWSNI-UHFFFAOYSA-N 241.290 2.625 0 40 BFAB CCn1cnc2sc3c(c2c1=O)CC[C@H](C)C3 143664 NOSGAIOQXNUEDX-QMMMGPOBSA-N 248.351 2.603 0 40 BFAB O=C(CC(=S)S)c1ccc(F)cc1 163323 SHKGCKYMUGZSHF-UHFFFAOYSA-N 214.286 2.656 0 40 BFAB Cc1cc(N)nn1Cc1cccc2ccccc12 1428568 GMGVPPGREQNZQP-UHFFFAOYSA-N 237.306 2.975 0 40 BFAB Nc1ccc2c(c1)NC(=O)c1ccccc1S2 5162634 QMOTTXDANOXDPK-UHFFFAOYSA-N 242.303 2.986 0 40 BFAB CC(C)NC(=O)N[C@H](C)c1ccccc1F 12986645 QTDNCRDRTIAMQB-SECBINFHSA-N 224.279 2.594 0 40 BFAB Cc1cc2cc3c(cc2[nH]c1=S)OCO3 13534428 JDIFJOWIQJUQQN-UHFFFAOYSA-N 219.265 2.935 0 40 BFAB c1ccc(-c2ncc(-c3ncco3)o2)cc1 22114941 UGSSUHQEHPHFIB-UHFFFAOYSA-N 212.208 2.997 0 40 BFAB C[C@H](N)COCc1ccc(Cl)c(Cl)c1 28521569 DBLYAJBXZVMLND-ZETCQYMHSA-N 234.126 2.857 0 40 BFAB COc1ccc(C=O)cc1CN1CCCC[C@@H]1C 34925021 JMECIOBNLQQWPB-LBPRGKRZSA-N 247.338 2.882 0 40 BFAB CCc1cc(Cl)nc(-c2ccccn2)n1 36755673 HPNRIBDEYPPKJX-UHFFFAOYSA-N 219.675 2.754 0 40 BFAB in-vitro N[C@H]1CCOc2c1ccc(Cl)c2Cl 36928588 WUGRPYNFTPEPAC-ZETCQYMHSA-N 218.083 2.776 0 40 BFAB Cc1cc(NC(C)C)ncc1Br 42783854 VMYSSTCXDDZVCH-UHFFFAOYSA-N 229.121 2.973 0 40 BFAB O=C(NCc1cccs1)NCC1CCCC1 46886060 CDEJSTSMWAEMQQ-UHFFFAOYSA-N 238.356 2.738 0 40 BFAB CCCc1nc(CN2CCSCC2)cs1 47993548 IEPIPDMDXYZAIG-UHFFFAOYSA-N 242.413 2.644 0 40 BFAB CCN(C(=O)NC1CC1)[C@H](C)c1cccc(O)c1 49127411 WCMDAFVCOHNGLJ-SNVBAGLBSA-N 248.326 2.647 0 40 BFAB Cc1cc([C@@H]2CCCN2CC(C)C)on1 52010445 PLWCIXQAFWTQMO-NSHDSACASA-N 208.305 2.776 0 40 BFAB CCCCNC(=O)c1sccc1CC 52929815 DTFBVHATGCXNRA-UHFFFAOYSA-N 211.330 2.840 0 40 BFAB c1ccc(CN2CCC[C@@H](CNC3CC3)C2)cc1 53656318 OONHGXTVFVGLND-HNNXBMFYSA-N 244.382 2.651 0 40 BFAB CC(C)CC[C@@H](C)NC(=O)Cc1ccccc1O 69598634 AZNNOOBDLOANFC-GFCCVEGCSA-N 249.354 2.876 0 40 BFAB CCN(C)c1ncccc1[C@H]1CCCN1CC 72212767 JLIIXLBLWBXILE-CYBMUJFWSA-N 233.359 2.695 0 40 BFAB CC[C@@H](C)Nc1ccc([C@@H]2CCCN2)cn1 72213469 NLIZWKVVMGGVPG-PWSUYJOCSA-N 219.332 2.717 0 40 BFAB CNc1ccc([C@H]2CCCCN2C)c(C)n1 72219115 SFOAVQNHPANUAU-GFCCVEGCSA-N 219.332 2.589 0 40 BFAB CCCc1c(C(=O)O)cc(C(C)=O)n1CCC 78404581 HMFCJTIWUUVOKH-UHFFFAOYSA-N 237.299 2.751 0 40 BFAB C[C@@H](N)COCc1cc(Cl)ccc1Cl 89262655 LSWAEMDDMJCQSH-SSDOTTSWSA-N 234.126 2.857 0 40 BFAB Fc1c(Cl)cccc1OCCC1OCCO1 95734072 MHSFBZJPCJMDPB-UHFFFAOYSA-N 246.665 2.621 0 40 BFAB CC(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 114120694 AYDMRXYIKDXUBB-XYPYZODXSA-N 241.331 2.659 0 40 BFAB CCCOc1nn(C)c2ccc(S)cc12 225774081 QVPBIOAFKKZVPW-UHFFFAOYSA-N 222.313 2.651 0 40 BFAB CN[C@@H](Cc1ccccc1)c1cccc(O)c1 1667165 WICXFAOFBHLWJV-HNNXBMFYSA-N 227.307 2.895 0 40 BFAB CCN(CC)[C@H](C)CC(=O)Nc1ccccc1 2019419 HKOURKRGAFKVFP-GFCCVEGCSA-N 234.343 2.746 0 40 BFAB in-man CCCCC(=O)NCCc1ccccc1 2057690 RBPXCUDFQLFKPO-UHFFFAOYSA-N 205.301 2.536 0 40 BFAB CC1(C)CN2C(=O)c3ccccc3[C@@]2(C)S1 4060974 OBFUZHNNQTTYHS-CYBMUJFWSA-N 233.336 2.841 0 40 BFAB CCCCNC(=O)[C@H](CC)Oc1ccccc1 4702900 FJCOBMDIUKPQAD-ZDUSSCGKSA-N 235.327 2.760 0 40 BFAB CCCCCNC(=O)c1cccc(F)c1 5463979 VUCLVUOOXXSDCI-UHFFFAOYSA-N 209.264 2.746 0 40 BFAB Cc1ccc(C(=O)NCc2ccccc2)c(O)c1 5557697 YBJOVPRFVYGPJG-UHFFFAOYSA-N 241.290 2.631 0 40 BFAB C[C@H]1C[C@H](C)CN(c2ccccc2N)C1 8702423 HGVKFJHZLQOFNQ-QWRGUYRKSA-N 204.317 2.751 0 40 BFAB O=C(O)c1cnc(SC2CCCCC2)nc1 8730896 HZEHRKRCYHHPOB-UHFFFAOYSA-N 238.312 2.600 0 40 BFAB CCCCNC(=O)COc1ccc(C)c(C)c1 14795897 DETUAGSJHWXDHJ-UHFFFAOYSA-N 235.327 2.599 0 40 BFAB CC(=O)c1c(O)cc(O)c(CC=C(C)C)c1O 14819093 VSODLHSFRVYYBZ-UHFFFAOYSA-N 236.267 2.515 0 40 BFAB biogenic COc1ccc([C@H](N)C2CCCC2)cc1 15014369 MXCXFNDZRCOLQJ-CYBMUJFWSA-N 205.301 2.885 0 40 BFAB CCOC(=O)c1ccc(-c2ccccc2)nc1N 19801151 GHMCWQCNJNHUKQ-UHFFFAOYSA-N 242.278 2.508 0 40 BFAB NCc1ccc(NC(=O)c2cccc(F)c2)cc1 20224326 MUIBLMYHNVCIQJ-UHFFFAOYSA-N 244.269 2.537 0 40 BFAB O=C(O)c1cnc2c(c1)Nc1ccccc1S2 20285442 IJKPJAFJNCLUPT-UHFFFAOYSA-N 244.275 2.988 0 40 BFAB CCC(=O)Nc1nc2c(s1)C[C@@H](C)CC2 21149732 KGVIWXNNQJUCQK-ZETCQYMHSA-N 224.329 2.616 0 40 BFAB Nc1ccccc1OCCc1ccccc1 21955137 XHTYNSVPAGBEAU-UHFFFAOYSA-N 213.280 2.890 0 40 BFAB in-vitro COc1cccc(C(=O)N(C)C2CCCC2)c1 22516559 BZSFUYWKOSDIDN-UHFFFAOYSA-N 233.311 2.710 0 40 BFAB Clc1ccccc1Nc1ncnc2n[nH]cc12 31809538 CVQOYEGKYPCGAO-UHFFFAOYSA-N 245.673 2.750 0 40 BFAB CN(C)C(=O)C1c2ccccc2-c2ccccc21 32719948 FTHODANFSGACDE-UHFFFAOYSA-N 237.302 2.887 0 40 BFAB C[C@H]1C[C@@H](C)CN(Cc2nnsc2Cl)C1 35164948 SFUIILRXKBXIQJ-OCAPTIKFSA-N 245.779 2.669 0 40 BFAB O=Cc1c(Cl)nc(Cl)n1-c1ccccc1 36379458 PQDZCIGLVYKTPP-UHFFFAOYSA-N 241.077 2.992 0 40 BFAB in-vitro O=C(NCCc1ccccc1)[C@H]1CC=CCC1 36396054 DJKJKKRIRNIZNX-AWEZNQCLSA-N 229.323 2.702 0 40 BFAB COc1ccc(OC(C)=O)c2ccccc12 39241684 ZKJGSANFMVMFTI-UHFFFAOYSA-N 216.236 2.774 0 40 BFAB C[C@H](Cc1ccco1)NC(=O)C[C@H]1C=CCC1 40074698 PSQFORNGHDVYMZ-NEPJUHHUSA-N 233.311 2.683 0 40 BFAB CCn1c(C)cc(=O)c2cc(C)ccc21 40164101 SQBAKSKZPNOOTH-UHFFFAOYSA-N 201.269 2.638 0 40 BFAB COc1ccc([C@@H](CN)CC(C)C)cc1OC 41278932 SBACSYVCPZUKSH-GFCCVEGCSA-N 237.343 2.792 0 40 BFAB CCCNC(=O)N1c2ccccc2C[C@H]1C 43466576 HCQQQLUPNBWYLT-SNVBAGLBSA-N 218.300 2.557 0 40 BFAB CC[C@H](C)C(=O)NCCCc1ccccc1 44895766 AIMDRQSGPAJVJH-LBPRGKRZSA-N 219.328 2.782 0 40 BFAB C[C@H]1CCc2nc(Cl)c(C(=O)O)cc2C1 49820286 QOZJTFOGYUSCCF-LURJTMIESA-N 225.675 2.558 0 40 BFAB CCN(Cc1cccc(OC)c1)[C@H](C)COC 52219086 ZCWNJSRZUWBQEH-GFCCVEGCSA-N 237.343 2.552 0 40 BFAB CCN(CC)CCCCNC(=O)OC(C)(C)C 75244075 NFNGYYZDLCLINN-UHFFFAOYSA-N 244.379 2.633 0 40 BFAB CCc1nnc(NCc2ccc(F)cc2)s1 75824836 TZEMVQWPOFKWBU-UHFFFAOYSA-N 237.303 2.852 0 40 BFAB CN[C@H]1CCc2[nH]c3ccc(Cl)cc3c2C1 83723072 BLOUPYFIPVFPPH-VIFPVBQESA-N 234.730 2.898 0 40 BFAB in-vitro Brc1ccc([C@@H]2CCCCN2)nc1 95639302 KGDVRGKGCPYUMA-VIFPVBQESA-N 241.132 2.659 0 40 BFAB Nc1cccc(Cl)c1C(=O)C(F)(F)F 95917792 AMVQBWCFKBIJMO-UHFFFAOYSA-N 223.581 2.667 0 40 BFAB Cc1cc(CNC[C@@H](C)CCO)ccc1Cl 96500134 QHVKRURNBHFKQL-JTQLQIEISA-N 241.762 2.757 0 40 BFAB CCOc1cc(Cl)sc1C(=O)OC 96510895 XNKPNJFOMYRTLF-UHFFFAOYSA-N 220.677 2.587 0 40 BFAB CC(C)N(C)C(=O)CSCc1ccccc1 96951816 RVLWLFXKXOQISR-UHFFFAOYSA-N 237.368 2.787 0 40 BFAB CCc1oc(C(=O)Nc2cnoc2C)cc1C 97230294 TUCREVVREPSMBV-UHFFFAOYSA-N 234.255 2.699 0 40 BFAB O=[N+]([O-])CCCCCCCCCCCO 136280563 PSXISJYLVGWDJC-UHFFFAOYSA-N 217.309 2.766 0 40 BFAB NC[C@@H](F)c1ccc(Cl)c(Cl)c1 156338077 FAZIHLGDTMYIPM-MRVPVSSYSA-N 208.063 2.963 0 40 BFAB Nc1c(OCc2ccccc2)ccnc1Cl 216884288 VMUFSRNEMKTLIQ-UHFFFAOYSA-N 234.686 2.896 0 40 BFAB CCCCn1cnc2cc(C)c(N)cc21 223768774 ODAXKBFHJJOWDF-UHFFFAOYSA-N 203.289 2.727 0 40 BFAB O=C(NC1CCC(F)(F)CC1)c1ccoc1 334464531 SQLUQZSVOOCYDI-UHFFFAOYSA-N 229.226 2.587 0 40 BFAB CSCc1ccc2oc(C(=O)O)cc2c1 140956 HKZRIEZNQUUICN-UHFFFAOYSA-N 222.265 2.994 0 40 BFAB COc1ccc2c(c1)Cc1cc(N)ccc1-2 1690483 QJWWUWPHPGLVQT-UHFFFAOYSA-N 211.264 2.849 0 40 BFAB CC(C)(C)OC(=O)N1CCNc2ccccc2C1 2928313 BVENZEAGNIYZSY-UHFFFAOYSA-N 248.326 2.849 0 40 BFAB c1ccc2sc(NC[C@H]3CCCO3)nc2c1 3245221 ZBYZZQOXZMQOCI-SECBINFHSA-N 234.324 2.887 0 40 BFAB O=C1O[C@H]2CCCC[C@H]2[C@@H]1c1ccccc1 4720841 NHZLOUXGQVISND-AGIUHOORSA-N 216.280 2.886 0 40 BFAB O=C(Cc1ccc(Cl)cc1)N1CCCCC1 6221427 NHKLTVNILDIDPE-UHFFFAOYSA-N 237.730 2.895 0 40 BFAB COc1ccc(C(C)(C)C)cc1NC(C)=O 7349135 FJYMEJCSDDORGU-UHFFFAOYSA-N 221.300 2.951 0 40 BFAB NC(=O)c1ccc(OCC2CCCCC2)cc1 7509984 MJTCIHDRDLBAGL-UHFFFAOYSA-N 233.311 2.745 0 40 BFAB CCCNC(=O)c1cc2ccccc2cc1O 9499935 GREVWZKWZIXWMX-UHFFFAOYSA-N 229.279 2.685 0 40 BFAB C[C@H](NC(=O)c1ccccn1)c1cccc(F)c1 12864884 WTJYALAUIZPDMT-JTQLQIEISA-N 244.269 2.712 0 40 BFAB O=Cc1ccc(O)c(Cc2ccc(O)cc2)c1 14454939 YNQWLVZLQOKLSQ-UHFFFAOYSA-N 228.247 2.501 0 40 BFAB biogenic,in-vitro C[C@H]1CCC[C@@H](C)N1NC(=O)Nc1ccccc1 16608895 KVKGVVPJAWATOO-TXEJJXNPSA-N 247.342 2.986 0 40 BFAB CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)O 19803727 ZXBVQYOLEDJCOA-JTQLQIEISA-N 228.675 2.828 0 40 BFAB in-vitro Cc1nc(C)c(-c2ccc(Cl)nn2)s1 26420636 AOEASRKROYFFDN-UHFFFAOYSA-N 225.704 2.870 0 40 BFAB CCNC(=O)/C(=C/c1ccco1)c1ccccc1 28219529 AUPRTQJTURTJLM-SDNWHVSQSA-N 241.290 2.956 0 40 BFAB C[C@@H](Sc1ncn[nH]1)c1ccccc1 30831862 XAXUPNZFMUWXOW-MRVPVSSYSA-N 205.286 2.658 0 40 BFAB CCc1ccccc1OC(=O)C(F)(F)F 32144735 OYPCYMVZHCVQQK-UHFFFAOYSA-N 218.174 2.717 0 40 BFAB CCCCOc1ccc(CNCC)cc1OC 33434514 DJZKSLNRBIGZLX-UHFFFAOYSA-N 237.343 2.984 0 40 BFAB COc1ccccc1-c1c[nH]c([C@H]2CCCN2)n1 36874123 BWTANHSHLWNNJB-LLVKDONJSA-N 243.310 2.510 0 40 BFAB in-vitro c1cncc(CNc2ccc3c[nH]nc3c2)c1 37134204 MODCDMXXWXCGLF-UHFFFAOYSA-N 224.267 2.570 0 40 BFAB CONC(=O)CCc1ccc(Cl)cc1Cl 38284845 GUQRGRIWCHOQAD-UHFFFAOYSA-N 248.109 2.604 0 40 BFAB COC(=O)CNc1ccc(-c2ccccc2)cc1 40005343 BQFAJKSBQPCVRP-UHFFFAOYSA-N 241.290 2.939 0 40 BFAB Cc1cc(C(=O)NC(C)(C)CC(C)(C)C)on1 42704696 RNRHSBNJOWKLPW-UHFFFAOYSA-N 238.331 2.928 0 40 BFAB O=C(Nc1ccccn1)NC1CCCCCC1 42996393 VWZTWOQXPNEJRM-UHFFFAOYSA-N 233.315 2.926 0 40 BFAB COc1ccc(OC)c([C@@](C)(O)C(C)C)c1 55234348 OTOVOALMUQIOHQ-ZDUSSCGKSA-N 224.300 2.567 0 40 BFAB Cc1cc(N)ccc1Oc1ccc(N)cc1 59363372 PNDOFJOELDGRJH-UHFFFAOYSA-N 214.268 2.952 0 40 BFAB CCN(CC)c1ncccc1C1=NCCC1 72212877 GPQVFFBLGQRVEX-UHFFFAOYSA-N 217.316 2.511 0 40 BFAB Cc1ccccc1CNC(=O)c1occc1C 72282321 IFJWHARZMUBTPP-UHFFFAOYSA-N 229.279 2.826 0 40 BFAB CCCc1sc(CN)cc1Br 85392807 QFJFVBZIMSMTMB-UHFFFAOYSA-N 234.162 2.922 0 40 BFAB CC(C)(C)OC(=O)NC[C@@H]1CCCCS1 87686483 YPNLOKNUKNZSGT-VIFPVBQESA-N 231.361 2.797 0 40 BFAB in-vitro Cc1ccc(NC(=O)NCc2ncoc2C)cc1 89635064 QMKJWJIKRRGQEE-UHFFFAOYSA-N 245.282 2.613 0 40 BFAB Cc1ccccc1C(=O)c1ccc2c(c1)OCO2 95917163 IGXMFZFVEKBRLT-UHFFFAOYSA-N 240.258 2.955 0 40 BFAB O=C(CCC1CCCCC1)NOCC(F)F 95940164 NBAYPKHBZLKVKS-UHFFFAOYSA-N 235.274 2.660 0 40 BFAB CC(C)[C@@H](SCc1ccco1)C(=O)N(C)C 96416312 UVKDURLFPXKSPW-LLVKDONJSA-N 241.356 2.626 0 40 BFAB Cc1cc(CSCc2ccc(CO)cc2)on1 97048107 PGIINJXSCODMHR-UHFFFAOYSA-N 249.335 2.909 0 40 BFAB CC(C)(C)OC(=O)N1[C@H]2C=CCC23CC=C[C@@H]13 97455252 QONDMLQEWGSYFB-BVUQATHDSA-N 233.311 2.881 0 40 BFAB Cc1cnn(Cc2cccc(F)c2F)c1 98013755 DRQSSUGSAHFXKD-UHFFFAOYSA-N 208.211 2.518 0 40 BFAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](SCCO)C2 100098265 AGZBMLIJEPVRHP-UMNHJUIQSA-N 214.374 2.927 0 40 BFAB biogenic O=C(NCc1ccccc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 100919303 XDJPRXQVKVZIMU-MGPQQGTHSA-N 229.323 2.739 0 40 BFAB C[C@H](C[C@H]1N[C@@H](C(=O)O)CS1)CC(C)(C)C 105536050 VZWJVYMROVOSTA-BBBLOLIVSA-N 245.388 2.565 0 40 BFAB Cc1ncsc1C(=O)N1Cc2ccccc2C1 105977556 LGTSARRFQJCFJW-UHFFFAOYSA-N 244.319 2.608 0 40 BFAB C[C@@H](SCCC(C)(C)C)C(=O)NC1CC1 195573134 AKTVMJPEKDCWAP-SECBINFHSA-N 229.389 2.823 0 40 BFAB O=C(O)C[C@H]1CCc2c[nH]c3cccc1c23 211385816 XJSLBJIBJXDERV-MRVPVSSYSA-N 215.252 2.672 0 40 BFAB CC1=CCC[C@H](C)[C@@H]1CN1CC[C@H]([C@H](C)O)C1 225516051 MPDKATDRFAEOKI-ZQDZILKHSA-N 237.387 2.682 0 40 BFAB O=C(NC1CCCCC1)N[C@H]1C[C@H]2CC[C@H]1C2 252892887 PABXXVLWHCCHBX-GVXVVHGQSA-N 236.359 2.807 0 40 BFAB O=C(N[C@H]1CCC[C@H]1F)c1cc2ccccc2[nH]1 336034118 DDACJGBFAXXTGE-PWSUYJOCSA-N 246.285 2.788 0 40 BFAB CC(C)Cn1cc(Cl)c(Br)n1 952999965 NJKJYRKCJYXDPA-UHFFFAOYSA-N 237.528 2.955 0 40 BFAB O=c1oc(-c2cc3ccccc3s2)ns1 138020 RHKRUOOVFFDRQS-UHFFFAOYSA-N 235.289 2.978 0 40 BFAB Clc1nc2ccccc2nc1N1CCCC1 161757 WMISMJBLVOHZDE-UHFFFAOYSA-N 233.702 2.883 0 40 BFAB CC[C@H](C)c1ccc(NC(C)=O)c(O)c1 373625 CMBZLKNFJIVOAX-QMMMGPOBSA-N 207.273 2.864 0 40 BFAB CC(C)C(=O)Nc1ccccc1N1CCCC1 569803 JHJKTQNJNBBJEI-UHFFFAOYSA-N 232.327 2.881 0 40 BFAB COC(=O)N1CCCc2cc(C)ccc21 1056410 LDRFMYWKINHGEQ-UHFFFAOYSA-N 205.257 2.514 0 40 BFAB Cc1nc2ccc(NC(=O)C(F)(F)F)cc2o1 1384483 FLIQZGVSOUVTHP-UHFFFAOYSA-N 244.172 2.637 0 40 BFAB c1ccc(CN2CCC[C@@H]([C@@H]3CCCN3)C2)cc1 3732451 NTEQKPPDYLNFBT-CVEARBPZSA-N 244.382 2.651 0 40 BFAB CCO[C@@H]1OCCC[C@@H]1[C@H](OCC)C(C)C 4428915 KZNCHPMMDTVWNG-JHJVBQTASA-N 230.348 2.837 0 40 BFAB CC1(C)NN=C(Cc2ccccc2)S1 5295821 WDJPVJPQIFCEAO-UHFFFAOYSA-N 206.314 2.615 0 40 BFAB Cc1cc(C)cc(NC(=O)c2cc(C)no2)c1 6789160 DVPQPXUYRMVUTG-UHFFFAOYSA-N 230.267 2.852 0 40 BFAB C[C@@H]1CCC[C@@H](C)N1NC(=O)Cc1ccccc1 7787240 VSXLRHWWXXDYSN-CHWSQXEVSA-N 246.354 2.523 0 40 BFAB Cc1cc(C)nc(NC(=O)CC(C)C)c1 8548811 YJQLOSDLNFJRKR-UHFFFAOYSA-N 206.289 2.683 0 40 BFAB COc1cccc(-c2ccc(CN)cc2)c1 8699700 JBGBLQHEUDMABX-UHFFFAOYSA-N 213.280 2.821 0 40 BFAB in-vitro Cc1nn2c(C=O)c(-c3ccccc3)nc2s1 8701111 SWHCLUFHBPLMLM-UHFFFAOYSA-N 243.291 2.579 0 40 BFAB CC[C@H]1CN(C(=O)Nc2ccc(C)cc2)CCO1 12892207 NJMCGYOUVFUPKO-ZDUSSCGKSA-N 248.326 2.638 0 40 BFAB C[C@H](NC(=O)Cc1c[nH]c2ccccc12)C1CC1 12976872 YXLWMYLOOIVHFV-JTQLQIEISA-N 242.322 2.625 0 40 BFAB N=C(N)c1ccc(COC2CCCCC2)cc1 19473844 GCSCAHSOWWLFAG-UHFFFAOYSA-N 232.327 2.820 0 40 BFAB in-vitro CC(C)N1CCN([C@H]2CCC[C@H](C)C2)CC1 19626693 LVBUTDHJTGWQAN-KBPBESRZSA-N 224.392 2.591 0 40 BFAB NC[C@@H](c1cccs1)N1CCc2ccccc21 22212352 ITVVYNAWWVVXJJ-ZDUSSCGKSA-N 244.363 2.811 0 40 BFAB Cc1ccc(-c2ccc(S(=O)(=O)O)cc2)cc1 34564963 JTPAMGSEWWMRMO-UHFFFAOYSA-N 248.303 2.909 0 40 BFAB CC(C)(C)OC(=O)Nc1cc(Cl)ncc1N 38351629 LWDIGNJIWGFYGA-UHFFFAOYSA-N 243.694 2.664 0 40 BFAB Clc1cnc(OCc2ccccc2)cn1 38534259 UYQSKHHXMLEWNU-UHFFFAOYSA-N 220.659 2.709 0 40 BFAB COc1cccc(-c2cc(C(=O)O)sn2)c1 39387193 KBPCJBDIDCORHE-UHFFFAOYSA-N 235.264 2.517 0 40 BFAB Fc1ccc(SCC2CCNCC2)cc1 43498086 FQINOVYEDPHLPH-UHFFFAOYSA-N 225.332 2.917 0 40 BFAB NCc1cccc(Oc2ccc(Cl)cn2)c1 43558656 SHJOKOUFQANERP-UHFFFAOYSA-N 234.686 2.986 0 40 BFAB O=C(/C=C/c1ccco1)Oc1cccnc1Cl 45221497 FBVLBOGXNJUEAG-AATRIKPKSA-N 249.653 2.947 0 40 BFAB CON(C)C(=O)CCCC1CCCCC1 70153426 TZQYJTOZBWBVOE-UHFFFAOYSA-N 213.321 2.757 0 40 BFAB Cc1cc(N(C)C)ncc1[C@@H]1CCCCN1C 72218694 DQEMMSZSOUZWSW-ZDUSSCGKSA-N 233.359 2.613 0 40 BFAB CC[C@@H](O)c1ccc(N2CCCCCC2)nc1 72225471 SFYRMPKSQTWHEY-CYBMUJFWSA-N 234.343 2.905 0 40 BFAB COCc1cccc(C(=O)OC2(C)CCC2)c1 75109486 SIYUBCUUYSGFSJ-UHFFFAOYSA-N 234.295 2.932 0 40 BFAB CC(=O)c1ccnn1-c1c(C)cccc1C 75619292 XKCKWLLLROUVQD-UHFFFAOYSA-N 214.268 2.692 0 40 BFAB CCC[C@H](C(=O)c1ccccc1)N1CCCC1=O 77312736 PVRCOJVUGGZXTI-CYBMUJFWSA-N 245.322 2.660 0 40 BFAB in-vitro N[C@H](c1cc(F)cc(Br)c1)C1CC1 84191658 BTUPEBRIODBODG-JTQLQIEISA-N 244.107 2.998 0 40 BFAB in-vitro Cn1nccc1NCc1cc2cc(F)ccc2o1 89741138 PATFEBNSYJMFNU-UHFFFAOYSA-N 245.257 2.918 0 40 BFAB CO[C@H](c1cccc(N)c1)C(F)(F)F 90514769 MDTSXKRJXZROCS-MRVPVSSYSA-N 205.179 2.519 0 40 BFAB O[C@@H](/C=C\c1ccccc1)C(F)(F)F 96034878 TWENPNDYVIPCRK-NMTCXDENSA-N 202.175 2.623 0 40 BFAB CC(C)(N)CO[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 100136682 ZTZRQPXJOXZJCX-JTNHKYCSSA-N 225.376 2.955 0 40 BFAB in-vitro O=C(NCCc1cccs1)[C@@H]1C[C@H]2CC[C@H]1C2 104734650 AQCQFAWBMCLMAZ-GMXVVIOVSA-N 249.379 2.843 0 40 BFAB S=C(NC1CCCC1)N[C@@H]1C[C@H]2CC[C@H]1C2 110515623 WXJSSYZPESMJNR-JBLDHEPKSA-N 238.400 2.582 0 40 BFAB CC(C)Nc1ncnc(Cl)c1-n1cccc1 217468581 VUGUINOQTYHWLG-UHFFFAOYSA-N 236.706 2.741 0 40 BFAB CCCO[C@H](Cc1ccc(CC)cc1)C(=O)O 225044411 SQRZKEDATNHPEC-CYBMUJFWSA-N 236.311 2.671 0 40 BFAB CCN(CC)[C@H](Cc1c(C)cccc1C)C(=O)O 225141614 LLZWPINMWITYNG-CQSZACIVSA-N 249.354 2.641 0 40 BFAB Cc1cn(CCF)nc1NCCC(C)C 256051013 HJUMMWKSQXGIAZ-UHFFFAOYSA-N 213.300 2.619 0 40 BFAB O=C(c1ccco1)N1CCC2(CC1)CC2(F)F 405131349 QOXMEZKWOGTDLR-UHFFFAOYSA-N 241.237 2.541 0 40 BFAB C[C@@H](Cc1ccccn1)NCc1ccccc1 521396781 SJAZEYXOFWBQNI-ZDUSSCGKSA-N 226.323 2.802 0 40 BFAB C[C@@H]1CCCN(C(=O)Cc2cccs2)C1 337672 KPWYKRKCYJTGNN-SNVBAGLBSA-N 223.341 2.549 0 40 BFAB Cc1ccc(C)c(NC(=O)c2snnc2C)c1 385475 KQZMEJRALWDGML-UHFFFAOYSA-N 247.323 2.716 0 40 BFAB NCCOC(c1ccccc1)c1ccccc1 1686699 NFJFUDGBWGXTHS-UHFFFAOYSA-N 227.307 2.751 0 40 BFAB in-vitro CCC(=O)[C@H]1CCCC[C@@H]1C(C)(C)C(=O)O 3850144 DTKRFHZIFOHAMP-UWVGGRQHSA-N 226.316 2.883 0 40 BFAB biogenic COc1cc(CN)ccc1OCc1ccccc1 4206150 KGFTVIUXEMKAIT-UHFFFAOYSA-N 243.306 2.733 0 40 BFAB CC(C)Cc1ccc(C(=O)CCC(=O)O)cc1 5760133 VTSCHNAWJCRJJG-UHFFFAOYSA-N 234.295 2.933 0 40 BFAB CCC[C@@H](C)NC(=O)COc1ccccc1C 6945430 ULAXGVQOBRCNET-GFCCVEGCSA-N 235.327 2.679 0 40 BFAB CC(C)C(=O)OC/C=C\c1ccccc1 8616483 KLKQSZIWHVEARN-TWGQIWQCSA-N 204.269 2.899 0 40 BFAB endogenous,in-man Cc1ccc(N2CCC(C)CC2)c(N)c1 8702592 VOBHHJBUKYXVQS-UHFFFAOYSA-N 204.317 2.814 0 40 BFAB CSCC(=O)Nc1ccc(C)cc1C 12976305 YCZQVLLQRXUJGC-UHFFFAOYSA-N 209.314 2.605 0 40 BFAB CCCCS(=O)(=O)Nc1ccc(C)c(C)c1 13321812 DVWWJYXDFXLGBJ-UHFFFAOYSA-N 241.356 2.845 0 40 BFAB CC(C)Oc1ncnc2c1[nH]c1ccccc12 13865245 MIZKNAIQHARXSZ-UHFFFAOYSA-N 227.267 2.898 0 40 BFAB CCN(CCC(=O)O)c1ccc(C)c(C)c1 20133839 DFQZOOLLAAKHRA-UHFFFAOYSA-N 221.300 2.604 0 40 BFAB CC[C@H](C)S(=O)(=O)Nc1ccc(C)c(C)c1 24614041 SLABUCFVDTWMNX-NSHDSACASA-N 241.356 2.844 0 40 BFAB Cc1noc([C@H](C)N2CCc3sccc3C2)n1 27812874 RVQMCQIGFZHMKE-QMMMGPOBSA-N 249.339 2.559 0 40 BFAB C[C@@H]1C[C@@H]1C(=O)N1CCCc2ccccc21 32975318 HRKQJDIJINBUOC-PWSUYJOCSA-N 215.296 2.622 0 40 BFAB O=Cc1c(-c2ccccc2)nn2ccccc12 34490270 GSGVFADOGIAWSM-UHFFFAOYSA-N 222.247 2.814 0 40 BFAB O=C(O)c1cnc(-c2ccc(F)c(F)c2)s1 36888304 HLPZSVRSWNQYJQ-UHFFFAOYSA-N 241.218 2.787 0 40 BFAB in-vitro Cc1n[nH]cc1CN[C@H]1CCCc2ccccc21 36901610 NLLDNUJOZCHGSW-HNNXBMFYSA-N 241.338 2.885 0 40 BFAB Cc1ccc(CC(=O)c2ccc(O)cc2O)cc1 38875187 QWJBLSOLPSJDRG-UHFFFAOYSA-N 242.274 2.832 0 40 BFAB O[C@H](c1ccccc1OC(F)F)C(F)(F)F 43367940 VERBXGNCPVNXNI-SSDOTTSWSA-N 242.143 2.884 0 40 BFAB C[C@H](NC(=O)C1CC1)c1cccc(Cl)c1 50042674 KTJRZYPZKBKMDE-QMMMGPOBSA-N 223.703 2.927 0 40 BFAB COC[C@H](C)NCCc1ccc(Cl)cc1 53172445 MCUFRNZKFBHPBP-JTQLQIEISA-N 227.735 2.507 0 40 BFAB CCn1c(SCCOC)nc2ccccc21 57862706 OVFMYDGJXQNJOG-UHFFFAOYSA-N 236.340 2.795 0 40 BFAB C[C@H]1Cc2ccccc2N(C(=O)NC2CC2)C1 62093419 MASIJMLBGZNBJP-JTQLQIEISA-N 230.311 2.557 0 40 BFAB CCOC(=O)[C@H](c1ccccc1)N(CC)CC 67731999 RLGHMSKPCSEMRE-ZDUSSCGKSA-N 235.327 2.633 0 40 BFAB in-vitro Cc1sc(-c2cccc(F)c2)nc1C(=O)O 71547600 TUZGDYDBXDXJTI-UHFFFAOYSA-N 237.255 2.956 0 40 BFAB OC1(Cn2cnc3ccccc32)CCCCC1 71824975 OBCXOUMLQHHWEQ-UHFFFAOYSA-N 230.311 2.732 0 40 BFAB CCOC(=O)c1cn[nH]c1-c1ccc(C)cc1 71980829 KBIYCHMHZXYAQJ-UHFFFAOYSA-N 230.267 2.562 0 40 BFAB CCCN1CCCC[C@@H]1c1c[nH]c(=O)c(C)c1 72217975 YWEFFEPVIJTEDI-CYBMUJFWSA-N 234.343 2.620 0 40 BFAB CC(C)(C)CC(=O)N1CCC[C@H]1c1cc[nH]n1 72361372 DGEIRIRFLICNKK-NSHDSACASA-N 235.331 2.509 0 40 BFAB Cn1cnc2c(Cl)ccc(Cl)c21 73634212 URTOQFLXJBPYFB-UHFFFAOYSA-N 201.056 2.880 0 40 BFAB COc1ccc(C(=O)NCCC(C)C)cc1F 74946772 UAEABOLWPCTVRN-UHFFFAOYSA-N 239.290 2.610 0 40 BFAB N[C@@H]1CCc2ccc(C(F)(F)F)cc21 95831163 ZLXDFXSCHGSKFJ-SECBINFHSA-N 201.191 2.651 0 40 BFAB in-vitro COC(=O)c1ccc2c(c1)C(C)(C)OC2(C)C 96171780 ORADBTNWTWYUTL-UHFFFAOYSA-N 234.295 2.974 0 40 BFAB CCc1nc(C)ncc1C(=O)N[C@H](C)C(C)(C)C 96486745 AYNSAHCLZPULCM-SECBINFHSA-N 249.358 2.512 0 40 BFAB C[C@@H]1CCCN(c2ncncc2Cl)CC1 97166120 ZABKNJDCIXKHMZ-SECBINFHSA-N 225.723 2.756 0 40 BFAB Cc1cnc2cccc(Br)c2n1 98175266 GOBCYMRYMRMQIR-UHFFFAOYSA-N 223.073 2.701 0 40 BFAB Cc1ccccc1-n1nc(C)c(C)c1O 100070239 ZXMSVBRNJWRFPE-UHFFFAOYSA-N 202.257 2.503 0 40 BFAB C[C@H](C(=O)c1ccccc1)C(=O)C(F)(F)F 100229031 MOOYLYCPAWODGB-SSDOTTSWSA-N 230.185 2.637 0 40 BFAB C1C[C@@H](c2noc(C[C@H]3C[C@H]4CC[C@H]3C4)n2)CO1 102329717 AOUICCJJOYKRGJ-NNYUYHANSA-N 248.326 2.552 0 40 BFAB OC1[C@H]2C=C[C@H]1[C@H]1[C@H]2[C@@H]2C=C[C@H]1c1ccccc12 104282872 WERFPVGFROEBJU-VZPVAFEKSA-N 236.314 2.846 0 40 BFAB CCOc1ccccc1[C@@H]1C[C@@H]1[C@H](C)N 108019064 MGOCNVGBTKLNMA-WCQGTBRESA-N 205.301 2.536 0 40 BFAB CCOc1ccc(NC(=O)C(C)(C)C)c(C)n1 225879690 ONFLUUBKSHSART-UHFFFAOYSA-N 236.315 2.773 0 40 BFAB CCO[C@@H]1[C@H]2CC[C@H]1N(Cc1cccs1)C2 248378108 IQFBXMMNVMEXJT-CYZMBNFOSA-N 237.368 2.747 0 40 BFAB FC(F)(F)CCSCC1CCNCC1 579829260 AZRVGMZTWPBAAD-UHFFFAOYSA-N 227.295 2.672 0 40 BFAB CCCOc1cnc2c(N)cccc2c1 685937546 JTCYFZIAGJUJHM-UHFFFAOYSA-N 202.257 2.606 0 40 BFAB CON1CC2(CCCCC2)C(=O)[C@@]12C=CCCC2 1706451 BQFOXRSTNHPSRC-HNNXBMFYSA-N 249.354 2.862 0 40 BFAB O=C(OCc1ccccc1F)c1ccc(O)cc1 3237846 CGRSQHJUAOEMJZ-UHFFFAOYSA-N 246.237 2.888 0 40 BFAB C[C@H]1O[C@@H](C)[C@@H](C)[C@@H](c2ccccc2O)O1 4023710 OSYQUVFLQIPNCW-QYTUQVAYSA-N 222.284 2.851 0 40 BFAB Cc1oc2c(F)c(F)c(F)c(F)c2c1C(=O)O 4206307 PCQIMPCKDMEBLS-UHFFFAOYSA-N 248.131 2.996 0 40 BFAB O=Cc1ccc2c(c1)CCN2C1CCCC1 4384358 KNCJUEVZZWFRFB-UHFFFAOYSA-N 215.296 2.804 0 40 BFAB CC(/C=C1\SC(=O)NC1=O)=C\c1ccccc1 4995887 XWGJEYLUCQLPAT-BGZVTZOUSA-N 245.303 2.957 0 40 BFAB CC(C)c1ccc(CNn2cn[nH]c2=S)cc1 5901992 IRCSQYKZRHWKFE-UHFFFAOYSA-N 248.355 2.808 0 40 BFAB O=C(O)c1cccc2nc(-c3cccs3)[nH]c12 6740849 OQFMKFSAZCQYAK-UHFFFAOYSA-N 244.275 2.990 0 40 BFAB in-vitro O=C(O)/C=C\c1cccc(C(F)(F)F)c1 12370922 KSBWHDDGWSYETA-PLNGDYQASA-N 216.158 2.803 0 40 BFAB CC[C@H](C)n1c(S)nnc1-c1ccncc1 12909892 QKBZSXVXHKPDRC-QMMMGPOBSA-N 234.328 2.600 0 40 BFAB O=C(NCCc1ccccc1)c1ccsc1 12932885 QRECOVIQPPYVDR-UHFFFAOYSA-N 231.320 2.721 0 40 BFAB Clc1ccc(O[C@H]2CCNC2)c(Cl)c1 14632103 GBIXEZKLXLWGNZ-QMMMGPOBSA-N 232.110 2.734 0 40 BFAB in-vitro CCC(=O)N1CCc2cc3cccc(C)c3nc21 15841977 BIQLPGLVTCNPHS-UHFFFAOYSA-N 240.306 2.842 0 40 BFAB COc1ccc(OCc2nc(C=O)cs2)cc1 19723146 FXJNQQGULPMGRN-UHFFFAOYSA-N 249.291 2.543 0 40 BFAB in-vitro C[C@H]1Cc2c([nH]c3ccccc23)[C@H](C)N1 19972707 WPILWEFRBGMVDD-IUCAKERBSA-N 200.285 2.763 0 40 BFAB CCN(Cc1ccccc1)C[C@H]1CCCNC1 20270221 XVMDVZQLPOVYQP-HNNXBMFYSA-N 232.371 2.508 0 40 BFAB CN(C(=O)c1ccc(F)cc1)C1CCCC1 20491620 AATRCIVISQJSCO-UHFFFAOYSA-N 221.275 2.840 0 40 BFAB Fc1cccc(-c2nnc(-c3ccncc3)o2)c1 30824299 FVTZEVWXIWCQAW-UHFFFAOYSA-N 241.225 2.938 0 40 BFAB COc1ccc([C@H](CN)N2CCCCCC2)cc1 32522361 CPASXXYSPZFNNT-HNNXBMFYSA-N 248.370 2.571 0 40 BFAB CCOC(=O)C(=O)c1cc(CC)cc(CC)c1 43504399 LCWWCSSBSUVYQD-UHFFFAOYSA-N 234.295 2.557 0 40 BFAB CNC[C@H](C)Oc1ccc(Cl)c(Cl)c1 52702356 HZZCMGXRZAPIFB-ZETCQYMHSA-N 234.126 2.980 0 40 BFAB in-vitro C[C@@H]([C@@H](C)NCc1ccsc1)n1cccn1 69368701 ZDFDIQXPSLXFRU-MNOVXSKESA-N 235.356 2.684 0 40 BFAB CCOC(=O)CC1(N2CCCCC2)CCCC1 72210230 IMAKLXCAKKNXNW-UHFFFAOYSA-N 239.359 2.738 0 40 BFAB Cc1nc(Cl)ccc1[C@@H]1CCCN1C 72217885 PDSCVGKSNGOIAT-JTQLQIEISA-N 210.708 2.810 0 40 BFAB OCC1(c2cc(-c3ccco3)on2)CCCC1 72220635 KKCMJJCETYOWJD-UHFFFAOYSA-N 233.267 2.739 0 40 BFAB Cc1cc(Br)c2[nH]c(=O)sc2c1 73638424 YUMRAKAKWCVJAT-UHFFFAOYSA-N 244.113 2.661 0 40 BFAB C[C@@H](N)c1c(F)cccc1Br 75845008 SNIBBOIUVLCOJX-RXMQYKEDSA-N 218.069 2.608 0 40 BFAB CC(C)(C)C(=O)c1ccc(O)c(F)c1F 88120942 RSBZBOYZIVXMLZ-UHFFFAOYSA-N 214.211 2.899 0 40 BFAB Cc1cc(C(=O)N2CCC3(CCCCC3)C2)no1 95401720 IUDRWXFLLVVJBR-UHFFFAOYSA-N 248.326 2.779 0 40 BFAB Cc1cc([C@@H](O)c2cccn2C)ccc1F 95727817 HLCPIKHKMWFOKK-CYBMUJFWSA-N 219.259 2.554 0 40 BFAB COc1ccc(Cl)cc1C(=O)C(F)F 95916322 IBJAVWGHKZOTDN-UHFFFAOYSA-N 220.602 2.796 0 40 BFAB Cc1csc([C@@H](NCC2CC2)C2CC2)n1 95961934 KWQLBJAYJSSIJF-NSHDSACASA-N 222.357 2.902 0 40 BFAB COCCN[C@@H](C)c1cc(C)cc(C)c1 96033257 QCXDTALTVLUZFO-LBPRGKRZSA-N 207.317 2.600 0 40 BFAB Cc1cccc(NC(=O)NCc2cccs2)n1 97109188 SCKFOSVVQCMQNE-UHFFFAOYSA-N 247.323 2.773 0 40 BFAB C[C@@H](OC(=O)C1CC1)c1nc2ccccc2[nH]1 102131112 XZWBBVGVTQIZLM-MRVPVSSYSA-N 230.267 2.577 0 40 BFAB CON(C)C(=O)Nc1c(C)cccc1Cl 132691012 NCIAGBJSIRLGJB-UHFFFAOYSA-N 228.679 2.674 0 40 BFAB CCOc1cc(Cl)c(Cl)c(CO)c1O 216783371 WNVVUFCDRJKTJH-UHFFFAOYSA-N 237.082 2.590 0 40 BFAB Cc1cc(C)c(N)c(NCc2ccncc2)c1 223776782 VASMPEHCWPRKBM-UHFFFAOYSA-N 227.311 2.893 0 40 BFAB CCO[C@@H](Cc1ccc(Cl)cc1C)C(=O)O 225075809 VGGRZLSTWDHWMP-NSHDSACASA-N 242.702 2.681 0 40 BFAB Clc1cc(Br)n2cncc2c1 238533259 UMBVYBDCEUOKLE-UHFFFAOYSA-N 231.480 2.750 0 40 BFAB COC(=O)NCCCc1cc2ccccc2o1 390830964 OQAZTFIVRQAMHW-UHFFFAOYSA-N 233.267 2.721 0 40 BFAB c1coc(CN2CCOc3ccccc3C2)c1 585148554 AXBRYDAEAXWRFZ-UHFFFAOYSA-N 229.279 2.674 0 40 BFAB Cc1ccc(NC(=O)c2ncnc(C)c2C)cc1 1888857138 SQYYXTBVIMVRHT-UHFFFAOYSA-N 241.294 2.654 0 40 BFAB CC(C)CCc1ccc([C@@H](N)CC(=O)O)cc1 533771 FDBAPXYVXNECEZ-ZDUSSCGKSA-N 235.327 2.750 0 40 BFAB biogenic COC(=O)/C=C(C)/C=C/c1cc(C(C)=O)c(C)o1 1625592 BFFQTAPFPPQJQX-SBIWHPGTSA-N 248.278 2.923 0 40 BFAB Cc1cc(C)cc(C(=O)[C@H]2CCC[C@H]2C(=O)O)c1 2245632 UULJYEIVQURUSE-QWHCGFSZSA-N 246.306 2.987 0 40 BFAB CCOC(=O)CCCC(=O)c1ccccc1C 2378872 YKQSQPIRAFTQAC-UHFFFAOYSA-N 234.295 2.911 0 40 BFAB Nc1c(Br)cccc1OC(F)F 2529864 JMJVERXHOZNPSM-UHFFFAOYSA-N 238.031 2.633 0 40 BFAB C[C@@H]1CN1C(=O)Nc1ccc(Cl)cc1 5218057 ZJGOYMMOGQYIFU-KMPCPTCDSA-N 210.664 2.576 0 40 BFAB CC(C)C(=O)N1CCCCC[C@H]1c1cnn(C)c1 19085713 YRLQUKLIFNEKTN-ZDUSSCGKSA-N 249.358 2.520 0 40 BFAB O=Cc1csc(COc2ccccc2)n1 19723140 LWFBPIWCVMQAMZ-UHFFFAOYSA-N 219.265 2.535 0 40 BFAB in-vitro Fc1ccccc1CNc1ccc(Cl)nn1 20548654 URUSMXUULRIJHH-UHFFFAOYSA-N 237.665 2.881 0 40 BFAB Cc1oc(C(=O)O)cc1Cc1ccccc1 22113323 YMJFMJFELVHDQJ-UHFFFAOYSA-N 216.236 2.877 0 40 BFAB CN(C)c1ccccc1NC(=O)c1ccoc1 29712693 DARXZMMXHQEBEB-UHFFFAOYSA-N 230.267 2.598 0 40 BFAB O=c1[nH]c(/C=C\c2ccco2)nc2ccccc12 30713642 FTAMMLQOOPFMCF-FPLPWBNLSA-N 238.246 2.687 0 40 BFAB biogenic O=C(O)c1ccc2nc(-c3ccco3)oc2c1 33420229 YITSCLPKXVPACF-UHFFFAOYSA-N 229.191 2.786 0 40 BFAB C[C@H]1Cc2ccccc2N1C(=O)c1ccoc1 36883502 OEFPURVUACOOSG-JTQLQIEISA-N 227.263 2.871 0 40 BFAB O=c1[nH]c2ccccc2n1-c1cccc(Cl)c1 41291563 ZRLHJYOEOPAHTD-UHFFFAOYSA-N 244.681 2.972 0 40 BFAB CCOC(=O)c1c2c(nc3ccccc13)CCC2 57952204 UJDUARRDWFOHHQ-UHFFFAOYSA-N 241.290 2.900 0 40 BFAB Cc1cc(CSCc2cc(C)on2)on1 71844481 HMLIGYQOTVTXNN-UHFFFAOYSA-N 224.285 2.713 0 40 BFAB C[C@@H](O)c1ccc(N2CCc3ccccc32)nc1 72225807 QUTUAVDTZCZBGS-LLVKDONJSA-N 240.306 2.829 0 40 BFAB Cc1c(N)cccc1-c1ccc(C(=O)O)o1 73640288 AUUZRCVVOKSEJF-UHFFFAOYSA-N 217.224 2.535 0 40 BFAB Cc1n[nH]cc1Nc1ccnc(C(C)(C)C)n1 78968260 YXWWBSDKWBFGJI-UHFFFAOYSA-N 231.303 2.549 0 40 BFAB Cc1ccccc1[C@H](NN)c1ccccc1 84194143 HRINMVZRYICOOZ-CQSZACIVSA-N 212.296 2.548 0 40 BFAB CCc1nc(COc2cccnc2C)cs1 95428626 ZPKMFSOKTDDFDI-UHFFFAOYSA-N 234.324 2.988 0 40 BFAB CC[C@@H](C)[C@@H](CO)Nc1ccc(Cl)cn1 95963227 TYBNVUAADAAULD-PSASIEDQSA-N 228.723 2.554 0 40 BFAB Cc1ccc(CN2CC[C@@H]3O[C@@H](C)C[C@H]3C2)o1 96045893 ZODZELNZTXHJGJ-OBJOEFQTSA-N 235.327 2.587 0 40 BFAB CC(C)CC[C@@H]1CCCCN1C(=O)CCCN 97019192 YLTSUHAMWXOFHB-ZDUSSCGKSA-N 240.391 2.543 0 40 BFAB O=C1[C@H]2CCCC[C@H]1CN(Cc1ccccc1)C2 100436301 YRWJDTZCVQMORQ-GJZGRUSLSA-N 243.350 2.878 0 40 BFAB O=C1Nc2cccc(Br)c2[C@@H]2C[C@@H]12 100643025 ICSDOBPACXLXLS-PHDIDXHHSA-N 238.084 2.505 0 40 BFAB Cc1nc(-c2cccc(Cl)c2)c(N)n1C 100761168 WLXRLGOFLOQLLN-UHFFFAOYSA-N 221.691 2.631 0 40 BFAB Cc1c(Cl)ccc2c1ncc1c(=O)o[nH]c12 100889158 BCKPTYGZJHMARW-UHFFFAOYSA-N 234.642 2.631 0 40 BFAB COc1ccc2c(c1)[C@H]1[C@@H]3[C@H]4C=C[C@@H]4[C@H]2[C@H]13 101003233 MSMIFVCPETXJCQ-HLEMRQFQSA-N 210.276 2.938 0 40 BFAB CNC(=O)c1cc(Cl)cc(C(F)(F)F)c1 122481393 NUMUPSUIMSQXJT-UHFFFAOYSA-N 237.608 2.718 0 40 BFAB CC[C@@H](N[C@H](COC)C(C)C)c1ccncc1 163762156 URFPPOOJLSCYSW-ZIAGYGMSSA-N 236.359 2.793 0 40 BFAB Cc1ccc(-n2cccc2CN)cc1C 223681821 WZLSDNOQCHTTLY-UHFFFAOYSA-N 200.285 2.553 0 40 BFAB C[C@H](C(=O)O)N(C)c1ccc(Cl)cc1Cl 224994096 QITCPZKNTMCRIE-ZCFIWIBFSA-N 248.109 2.903 0 40 BFAB CCn1ncc(NCc2ccc(F)cc2)c1C 256053883 UAMZLUXZLRFTQT-UHFFFAOYSA-N 233.290 2.963 0 40 BFAB CCC[C@H]1C[C@@H](NC(C)=O)[C@@H]2CCCC[C@H]2O1 257216150 CTITYOIYFOFCTG-IGQOVBAYSA-N 239.359 2.639 0 40 BFAB COC(=O)CCCCC(=O)c1sccc1C 382675872 PWOHEFPJSIKFBZ-UHFFFAOYSA-N 240.324 2.973 0 40 BFAB COC(=O)CCCC(=O)c1sccc1C 382676997 WIXOEYJCOVCLHJ-UHFFFAOYSA-N 226.297 2.583 0 40 BFAB Cc1nccnc1OCc1cccc(F)c1 585652060 UZYPIVWTNOPSEA-UHFFFAOYSA-N 218.231 2.503 0 40 BFAB Cc1cc(N)ccc1NC(=O)c1cccs1 367646 WVQLPQYGRSYBMV-UHFFFAOYSA-N 232.308 2.891 0 40 BFAB O=C1CCCC[C@@H]1C[C@H]1CCCCC1=O 501402 CNVYERSDZLTUQK-GHMZBOCLSA-N 208.301 2.895 0 40 BFAB Oc1ccc(CCc2cccc(O)c2)cc1 899157 ILEYXPCRQKRNIJ-UHFFFAOYSA-N 214.264 2.883 0 40 BFAB biogenic,in-vitro c1ccc2c(C[C@@H]3CCCNC3)c[nH]c2c1 2037324 ZPDWYCFLVVDESE-NSHDSACASA-N 214.312 2.710 0 40 BFAB O=C(O)/C=C\c1ccc(Br)cc1 6095034 CPDDDTNAMBSPRN-UTCJRWHESA-N 227.057 2.547 0 40 BFAB COC(=O)CSCc1ccccc1Cl 6452835 YZYBEVUUDWKIAA-UHFFFAOYSA-N 230.716 2.746 0 40 BFAB CCNC(=O)COc1cc(Cl)ccc1Cl 9594982 DZUAHABDERWISO-UHFFFAOYSA-N 248.109 2.508 0 40 BFAB O=Cc1ccccc1OCCOc1ccccc1 11886574 YNHULWVWUZLNHR-UHFFFAOYSA-N 242.274 2.957 0 40 BFAB c1cc2c(cc1OC[C@H]1CCCNC1)CCC2 12137815 BAQCDSXHWXTGLW-LBPRGKRZSA-N 231.339 2.554 0 40 BFAB in-vitro O=C(NC1CCCC1)c1cc(Cl)ccc1O 12926989 SORJCZIQJVETDA-UHFFFAOYSA-N 239.702 2.718 0 40 BFAB CCCCCC[C@H]1C/C(=C\N(C)C)C(=O)O1 17041136 RGMUXVLMWFRSEK-IIANPFDCSA-N 225.332 2.718 0 40 BFAB CCOC(=O)c1cc(-c2cccc(C)c2)[nH]n1 19045427 KUSWEAJDJBCWFZ-UHFFFAOYSA-N 230.267 2.562 0 40 BFAB Nc1ccc2[nH]c(-c3ccc(F)cc3)nc2c1 19430337 DMELUAJRVWGKHW-UHFFFAOYSA-N 227.242 2.951 0 40 BFAB in-vitro CC(C)c1ccc(-c2nn3cnnc3s2)cc1 20154185 XMELJPCHAUSRKH-UHFFFAOYSA-N 244.323 2.976 0 40 BFAB Cc1ccc(-c2ncc(C=O)cn2)cc1C 22124194 UAIUJKOQCOVNIP-UHFFFAOYSA-N 212.252 2.573 0 40 BFAB O=C(O)c1c(C(F)(F)F)ccc(F)c1F 34559842 ZHFYNXCPSXXODX-UHFFFAOYSA-N 226.100 2.682 0 40 BFAB Cc1cccc(Cn2nc(C)c(C(=O)O)c2C)c1 36778107 OPTGZLJSEDGOTK-UHFFFAOYSA-N 244.294 2.555 0 40 BFAB NC1CC(c2ccccc2Br)C1 36840697 LNVHKYTUWGMIFR-UHFFFAOYSA-N 226.117 2.654 0 40 BFAB Nc1ccc(F)cc1C(=O)c1ccc(F)cc1 39643326 BSNFHXNLZZNMGF-UHFFFAOYSA-N 233.217 2.778 0 40 BFAB Clc1cc(Br)c2c(c1)NCCO2 39941564 KCFYTVGLBXSANX-UHFFFAOYSA-N 248.507 2.907 0 40 BFAB in-vitro Cc1ccc([C@H](O)c2ccco2)cc1C 40241882 QKGAXNWWIYAYNE-ZDUSSCGKSA-N 202.253 2.978 0 40 BFAB CN(C(=O)CC[C@H]1CCCO1)C1CCCCC1 40505788 VKRHBOIOHICIEX-CYBMUJFWSA-N 239.359 2.737 0 40 BFAB NC[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 40956877 HMVDYILQOBDJFR-PSASIEDQSA-N 215.218 2.768 0 40 BFAB C[C@H]1CCCC[C@H]1NC(=O)c1ccnc(F)c1 41038712 XAUJYEPLUXYYNZ-GXSJLCMTSA-N 236.290 2.529 0 40 BFAB Cc1cc(=O)[nH]c(NC2CCCCCCC2)n1 41605528 XCNHXQWYQOCFDK-UHFFFAOYSA-N 235.331 2.603 0 40 BFAB CCc1cc(C=O)ccc1OCC1CC1 42784115 FZEKMQLSZVRVMC-UHFFFAOYSA-N 204.269 2.850 0 40 BFAB O=C(c1ncco1)c1ccccc1C(F)(F)F 43210560 DXYLNPPFAMNPBH-UHFFFAOYSA-N 241.168 2.924 0 40 BFAB CCc1cc(CC)cc(C(=O)COC)c1 43504780 XJZQODWLQUDMTP-UHFFFAOYSA-N 206.285 2.641 0 40 BFAB CCNc1ccccc1C(=O)N[C@@H](C)CC 45796172 GGYXZFLUVSEYTR-JTQLQIEISA-N 220.316 2.647 0 40 BFAB Cc1ccsc1C(=O)N(C)Cc1ccncc1 46045725 BTLSXYPUIFNEBK-UHFFFAOYSA-N 246.335 2.724 0 40 BFAB CNC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 58441294 CSCWYUXCXRPSDF-NSHDSACASA-N 232.327 2.627 0 40 BFAB CC(C)Oc1ccc(/C=C/CC(=O)O)cc1 62710449 MBEPLDCHINAGJM-ONEGZZNKSA-N 220.268 2.962 0 40 BFAB N=C(NCc1ccccc1)NC[C@H]1CC=CCC1 66244463 YSIYUTIDGBFGCF-AWEZNQCLSA-N 243.354 2.657 0 40 BFAB Fc1cccc2[nH]c(-c3ccccn3)nc12 70235114 CAOAUHOJMMOLHR-UHFFFAOYSA-N 213.215 2.764 0 40 BFAB Cc1ccc(-c2csc(N)n2)cc1F 72312167 GMCAUVNWNGNJJJ-UHFFFAOYSA-N 208.261 2.840 0 40 BFAB CCc1ccc(-c2n[nH]c(=S)n2C)cc1 77328786 ZIMJUHKLOGXFKE-UHFFFAOYSA-N 219.313 2.707 0 40 BFAB CCN(CCN)Cc1c(Cl)cccc1Cl 79420150 WSCPOKSTHDFWEB-UHFFFAOYSA-N 247.169 2.774 0 40 BFAB FC(F)(F)[C@H]1CCC[C@@H](NC2CC2)C1 82862723 VQLHTKKDZLUWDC-IONNQARKSA-N 207.239 2.860 0 40 BFAB Cn1ncnc1COc1ccccc1C(C)(C)C 88583626 HGJDCIKDVHRUCN-UHFFFAOYSA-N 245.326 2.692 0 40 BFAB O=C(c1ccc(C(F)(F)F)cn1)C(F)(F)F 91362344 PSPQIDRWRSIINB-UHFFFAOYSA-N 243.106 2.845 0 40 BFAB O=C1CCc2ccc(Br)cc2CC1 95635144 VXBTZBPYYAFEAR-UHFFFAOYSA-N 239.112 2.897 0 40 BFAB in-vitro CC(C)COc1cc(C=O)cc(F)c1F 95732256 AKFUPASLVANZBJ-UHFFFAOYSA-N 214.211 2.812 0 40 BFAB CCn1c(O)c(C(C)=O)c2cc(OC)ccc21 96026274 DMVHBODBUWZYIV-UHFFFAOYSA-N 233.267 2.578 0 40 BFAB Cc1ccc(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)nc1 102092449 PDDLHYIRLMYPHK-IJLUTSLNSA-N 230.311 2.765 0 40 BFAB C[C@@H]1CC(C)(C)N(CC(=O)O)c2ccccc21 148077083 NQOGQDUCYDCNCD-SNVBAGLBSA-N 233.311 2.863 0 40 BFAB Cc1n[nH]c(C)c1CN1CCc2ccccc21 195556520 MFFOTBRJAGITIO-UHFFFAOYSA-N 227.311 2.589 0 40 BFAB COc1nc2cc(C)c(C)cc2cc1C=O 224967701 UWSPOERJQZQWIX-UHFFFAOYSA-N 215.252 2.673 0 40 BFAB CCCO[C@@H](Cc1c(C)cccc1C)C(=O)O 225032525 QSYJZFXOFLHLFT-ZDUSSCGKSA-N 236.311 2.726 0 40 BFAB CCCC(=O)Nc1ccc(N2CCCC2)c(N)c1 226262561 PQGLXDFWEGTJKI-UHFFFAOYSA-N 247.342 2.608 0 40 BFAB CC1=C2C[C@H]3CCCC[C@]3(C)C[C@]2(O)OC1=O 936069015 WSLYEIQCZNFNQL-HONMWMINSA-N 236.311 2.539 0 40 BFAB OCc1c(C(F)(F)F)cc(F)c(F)c1F 1504206501 PFDWTCZPHBDLET-UHFFFAOYSA-N 230.107 2.615 0 40 BFAB CC[C](c1cccc(O)c1)[C@@H](C)CN(C)C 1560411659 IUQSQTFAFPQKJW-NSHDSACASA-N 220.336 2.922 0 40 BFAB CCc1ccc(CNCc2cccnc2)cc1 299696 HPNYVMFOKBZNMG-UHFFFAOYSA-N 226.323 2.934 0 40 BFAB in-vitro CCn1nc(-c2ccccc2)c(Cl)cc1=O 1383875 WOLCVSLROQOKKW-UHFFFAOYSA-N 234.686 2.584 0 40 BFAB CSc1ncnc(SC)c1Cl 1676002 AAKJIIQDCNPLKB-UHFFFAOYSA-N 206.723 2.574 0 40 BFAB Cc1cc(Cl)cc2c1O[C@H](C)OC2=O 2045248 AMXDQGFJOYWGCT-LURJTMIESA-N 212.632 2.544 0 40 BFAB Cc1cccc(-n2nc3c(c2N)CSC3)c1 2454962 USIZSOFTWVJRQE-UHFFFAOYSA-N 231.324 2.510 0 40 BFAB c1cncc(-c2nnc(-c3ccncc3)s2)c1 3860230 ZPYOQBDLCUTRDE-UHFFFAOYSA-N 240.291 2.662 0 40 BFAB CC[C@@H]1CSC(Nc2ccc(OC)cc2)=N1 4697641 UVFSATDTIMWDEQ-SECBINFHSA-N 236.340 2.989 0 40 BFAB CN(C(=O)c1ccccc1)[C@@H]1CCCC(=O)CC1 5707326 YSVIQIOQISDMHJ-CYBMUJFWSA-N 245.322 2.660 0 40 BFAB CCC(=O)c1c(C)n(CC(=O)O)c2ccccc12 6658073 SBCYFNRAOWOQQI-UHFFFAOYSA-N 245.278 2.627 0 40 BFAB FC(F)[C@](F)(Br)OC(F)(F)F 8698309 AWOMFEUKFYXKCV-UWTATZPHSA-N 246.932 2.806 0 40 BFAB CCc1nc(C)c2c(C)c(C(=O)O)sc2n1 12505549 PJBBERXZMJVUDI-UHFFFAOYSA-N 236.296 2.569 0 40 BFAB CCCNCc1cccc(Oc2ncccn2)c1 13731585 DZPJNEWFNUFGGN-UHFFFAOYSA-N 243.310 2.769 0 40 BFAB CC[C@@H](C)NC(=O)/C=C/c1ccc(C)o1 13892148 VTSVKSZNPVSKLN-FCZSHJHJSA-N 207.273 2.516 0 40 BFAB CNCc1cc2ccc(Cl)c(C)c2[nH]1 16941598 XLDMQKBWFXQVEN-UHFFFAOYSA-N 208.692 2.849 0 40 BFAB in-vitro CC[C@@H](C)NC(=O)/C=C\c1ccccc1 17160870 HOKNEZLZDQSGDN-DWOQACPDSA-N 203.285 2.615 0 40 BFAB CCNc1cc(OC)c(Cl)cc1OC 19906043 MQVMUOCBWDAPKL-UHFFFAOYSA-N 215.680 2.789 0 40 BFAB c1cncc(-c2nnc(-c3ccsc3)o2)c1 20745415 ZOGIIZRNKKVKSB-UHFFFAOYSA-N 229.264 2.860 0 40 BFAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccsc2)C1 32731181 YKSGDGJNHNHHPE-AOOOYVTPSA-N 223.341 2.866 0 40 BFAB CCOc1ccccc1-n1cc[nH]c1=S 34964236 XXARSGOSKRNIKS-UHFFFAOYSA-N 220.297 2.934 0 40 BFAB CCn1c([C@@H](C)N)nc2cc(Cl)ccc21 37440350 XMINNDFPMGEHTA-SSDOTTSWSA-N 223.707 2.729 0 40 BFAB Fc1ccc(OCC[C@@H]2CCCNC2)cc1F 42773523 JQHLKGONRPBHNR-JTQLQIEISA-N 241.281 2.733 0 40 BFAB CCC(=O)[C@@H]1C[C@@H](C(C)(C)C)CCC1=O 43651713 UUOALHMQTJPKOY-UWVGGRQHSA-N 210.317 2.997 0 40 BFAB COc1ccccc1C(=O)c1ccc(C)cn1 45028525 MVGCXZLVBVAMLJ-UHFFFAOYSA-N 227.263 2.630 0 40 BFAB CC(C)NC(=O)N[C@H](C)c1cccc(F)c1 48289238 YFINHNCIKMFMSN-SECBINFHSA-N 224.279 2.594 0 40 BFAB Cc1cc(C(=O)NCCCn2cccc2)c(C)o1 49028561 FYZKKNHEOLAPSL-UHFFFAOYSA-N 246.310 2.518 0 40 BFAB CNC[C@@H](OC(C)C)c1ccccc1C 50483523 RIBAHLAXVFYGAS-CYBMUJFWSA-N 207.317 2.681 0 40 BFAB CC(C)C(=O)c1cc(Br)ccc1O 52068484 CQMUOCMTUDZOLK-UHFFFAOYSA-N 243.100 2.993 0 40 BFAB NC[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 54561849 YOWILGGJTLQJCW-SCZZXKLOSA-N 215.218 2.768 0 40 BFAB CNC[C@@H]1C[C@@H]1c1ccc(OC(F)F)cc1 54588639 KDJYSCGVNIVTDG-GXSJLCMTSA-N 227.254 2.611 0 40 BFAB CC(C)(C)c1ccc([C@@H]2CCC(=O)N2)cc1 57939386 NSCFJFHMQSJJAB-LBPRGKRZSA-N 217.312 2.935 0 40 BFAB CC[C@@H](C)Nc1ccc([C@H]2CCCN2)cn1 72213471 NLIZWKVVMGGVPG-ZYHUDNBSSA-N 219.332 2.717 0 40 BFAB Cc1cc([C@H]2CCCCN2)cnc1Cl 72217793 OFHPQKDEULZUGP-SNVBAGLBSA-N 210.708 2.858 0 40 BFAB CCSCC(=O)NCC1(c2ccccc2)CC1 78555762 LFFUXIAKQIQHFE-UHFFFAOYSA-N 249.379 2.588 0 40 BFAB Clc1cc(CSc2ncc[nH]2)ccn1 79003642 GHDAQHDOLINQEE-UHFFFAOYSA-N 225.704 2.750 0 40 BFAB CCSCC[C@@H](C)NC(=O)N1CC[C@@H](C)C1 84812074 KTNAGOSFCMDXCH-GHMZBOCLSA-N 244.404 2.570 0 40 BFAB CC(C)CSCCCNC(=O)c1ccoc1 95440558 RAQFUPXHTSJCPK-UHFFFAOYSA-N 241.356 2.789 0 40 BFAB CC[C@@H](C)[C@@H](C)NCc1nc(CC(C)C)no1 95986397 JNAZGLGHMJYPTK-GHMZBOCLSA-N 239.363 2.792 0 40 BFAB Cc1cc(Br)c(F)c(C)n1 98179664 PIKKLHFPOBVBSC-UHFFFAOYSA-N 204.042 2.600 0 40 BFAB C[Si](C)(C)c1ccc([Si](C)(C)C)s1 169864434 FPUOKUOVIWJMDC-UHFFFAOYSA-N 228.509 2.839 0 40 BFAB CCOc1nc(-c2ccccc2)sc1C(=O)O 218269361 PRUSVUVAATZAJX-UHFFFAOYSA-N 249.291 2.907 0 40 BFAB CCC[C@H](C)NC(=O)Cc1ccc(OC)c(C)c1 225029089 MFQYWHFGQGPSTF-LBPRGKRZSA-N 249.354 2.851 0 40 BFAB Cn1cc(Br)c2c(Cl)nccc21 606301471 DVFDYTZNMDJZGZ-UHFFFAOYSA-N 245.507 2.989 0 40 BFAB Cc1ncoc1CNc1cncc(Cl)c1C 894868822 IHHVYJZKOVFMOP-UHFFFAOYSA-N 237.690 2.952 0 40 BFAB CCNC(=O)N1[C@H]2CC[C@H]1CC(=C1CCC1)C2 1776001966 VUTJURNSRNGVOI-STQMWFEESA-N 234.343 2.823 0 40 BFAB COC(=O)[C@H](C/C=C(/C)c1ccccc1)C(C)=O 1616072 MNJUDMANVVMTDA-RBJHHQRMSA-N 246.306 2.858 0 40 BFAB Nc1cc(Cl)cc(C(F)(F)F)c1N 2243183 RIBWEGQTUUVRJH-UHFFFAOYSA-N 210.586 2.523 0 40 BFAB CC(C)c1ccc2nc(NN)sc2c1 2455656 XPOBNKLISUTFDN-UHFFFAOYSA-N 207.302 2.705 0 40 BFAB O=C(O)/C=C/c1c(O)cc(Cl)cc1Cl 2524647 GEKIQWLNPLMVOP-OWOJBTEDSA-N 233.050 2.797 0 40 BFAB C/C=C/C(=O)N1C(=O)O[C@H](c2ccccc2)[C@@H]1C 2562272 OWXHDOIFLLGSQV-IPWYWCKCSA-N 245.278 2.671 0 40 BFAB CN(C[C@H](O)c1ccccc1)C1CCCCC1 2639034 DGCMNNHUFJQQSR-HNNXBMFYSA-N 233.355 2.985 0 40 BFAB Cc1nn(-c2ccccc2)c2c1C(=O)CCC2 3101770 HDRDLRJTFBFSNX-UHFFFAOYSA-N 226.279 2.700 0 40 BFAB O=C(O)C[C@H]1CC[C@H]2C[C@H](O)c3cccc1c32 5085143 KARFLYYFKRUEQF-PTRXPTGYSA-N 232.279 2.559 0 40 BFAB Cc1nc(-c2ccc(CC(=O)O)cc2)cs1 11566703 QYOVAVZUAMSCRH-UHFFFAOYSA-N 233.292 2.746 0 40 BFAB Cc1ccc(N[C@@H](C(N)=O)c2ccccc2)cc1 12540835 BHLHTMCGQAJHSU-CQSZACIVSA-N 240.306 2.634 0 40 BFAB Cc1ccccc1[C@@H](C)NC(=O)NCC1CC1 12894380 IGJCEUOLBHMIMX-LLVKDONJSA-N 232.327 2.765 0 40 BFAB Cc1cc(NC(=O)c2ccc(C)c(C)c2)n(C)n1 13596338 DKYBPGGEFZRIGR-UHFFFAOYSA-N 243.310 2.598 0 40 BFAB CC(C)(Oc1cccc2c1CCCC2)C(=O)O 13609406 CENZGMLCZCBZOE-UHFFFAOYSA-N 234.295 2.807 0 40 BFAB CC[C@H](C)c1ccccc1NS(=O)(=O)CC 16972591 JXUPZAUKKIZLHT-JTQLQIEISA-N 241.356 2.962 0 40 BFAB Fc1ccc(-n2c(Cl)nnc2C2CC2)cc1 32627154 YLMNNHFAOPOZIJ-UHFFFAOYSA-N 237.665 2.937 0 40 BFAB in-vitro Cc1cccnc1NC(=O)Cc1ccc(F)cc1 32721862 VUVFUOZGXMXFAY-UHFFFAOYSA-N 244.269 2.710 0 40 BFAB O=C(Nc1ccc(F)cc1)c1ccc(CO)cc1 33023980 WAXMKZNXMCBKPD-UHFFFAOYSA-N 245.253 2.570 0 40 BFAB CCC[C@@H](C)N(C)C(=O)c1cc(Cl)ccn1 35238948 QXVXJNAZXSDDEM-SECBINFHSA-N 240.734 2.996 0 40 BFAB Cc1cc(CN(C)Cc2sccc2C)no1 40465910 OWTKRBRHJPCRPL-UHFFFAOYSA-N 236.340 2.985 0 40 BFAB CCOC(=O)N1CCO[C@H](c2ccccc2C)C1 41395508 AHTUEDVZTOHLLE-ZDUSSCGKSA-N 249.310 2.525 0 40 BFAB CCc1ccc(OCC2CC2)c(C=O)c1 42784142 VHNPVLLGAMCLGH-UHFFFAOYSA-N 204.269 2.850 0 40 BFAB COC(=O)c1c(C)ccc2ccccc12 44199751 LAVWHNAHVCKBOU-UHFFFAOYSA-N 200.237 2.935 0 40 BFAB C[C@@]12CC3CC(NC(N)=S)(C1)C[C@](C)(C3)C2 45958079 JHIOEXDHTUFGGB-QGVZIFMBSA-N 238.400 2.569 0 40 BFAB CCCN(CCC)C(=O)c1scnc1C 46788532 DWBOOZNIZXNNJE-UHFFFAOYSA-N 226.345 2.714 0 40 BFAB CC[C@H](C)NC(=O)CCc1ccccc1F 47220083 FHZPQMKISWKPIG-JTQLQIEISA-N 223.291 2.673 0 40 BFAB CCCN1CCC([C@H](O)c2ccccc2)CC1 51531714 BNDUTWRZAHFGFJ-OAHLLOKOSA-N 233.355 2.842 0 40 BFAB CCC(O)(CC)c1cc(OC)ccc1OC 55234346 WPKJCNINHIZQME-UHFFFAOYSA-N 224.300 2.711 0 40 BFAB O=C(O)[C@@H](Cc1cccc(O)c1)c1ccccc1 58001476 FBLXBLMCMACDSZ-AWEZNQCLSA-N 242.274 2.803 0 40 BFAB CCCN1CCC[C@H]1c1ccc(NC)nc1 72212478 OBYGQIHQJHOSIX-LBPRGKRZSA-N 219.332 2.670 0 40 BFAB Cc1cc(N2CCCCC2)ncc1[C@@H]1CCCN1 72219202 YQOSHNMUBCKVIJ-AWEZNQCLSA-N 245.370 2.805 0 40 BFAB Cc1cnccc1[C@@H]1CCCN1C(C)C 72219513 QUHPHKYHNIPZAP-ZDUSSCGKSA-N 204.317 2.935 0 40 BFAB CON[C@H]1CCCOc2cc(C)c(C)cc21 85345054 HDXHSAJFIYTXSP-LBPRGKRZSA-N 221.300 2.668 0 40 BFAB O=Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 89262091 MIYKTMXGVMLOAT-UHFFFAOYSA-N 242.156 2.568 0 40 BFAB CC(C)(O)CCn1ccnc1-c1ccccc1 92800397 WJABCFLKGFUHGR-UHFFFAOYSA-N 230.311 2.711 0 40 BFAB COCCN[C@H](C)c1cc(C)cc(C)c1 96033256 QCXDTALTVLUZFO-GFCCVEGCSA-N 207.317 2.600 0 40 BFAB CC1CC(Cn2cc(CNC3CCCC3)cn2)C1 96509065 FOOOXLIBXYYIKW-UHFFFAOYSA-N 247.386 2.961 0 40 BFAB C[C@@H](CCCO)N[C@H](C)Cc1ccc(F)cc1 97017296 BDXUMXAGHFRTIA-NWDGAFQWSA-N 239.334 2.507 0 40 BFAB CCCCNC(=O)[C@H](C)Sc1ccoc1C 131417451 NZCVAHHQSWVUMF-JTQLQIEISA-N 241.356 2.985 0 40 BFAB CCNC(=O)Nc1ccc2ccccc2c1 135728896 NDUMSXBMMDPPKB-UHFFFAOYSA-N 214.268 2.981 0 40 BFAB Clc1cc(Cl)cc(CCn2cncn2)c1 193633199 GMPBZCGSYKWOHT-UHFFFAOYSA-N 242.109 2.828 0 40 BFAB c1c(C2CCCC2)n[nH]c1C1CCOCC1 256050553 FMDCXWSXSQXCBE-UHFFFAOYSA-N 220.316 2.961 0 40 BFAB Fc1ccc(CNCc2ccco2)s1 256054495 WOGOIFKYAYPTJS-UHFFFAOYSA-N 211.261 2.770 0 40 BFAB O=C(O)c1ccnc(Cc2ccccc2F)c1 257197791 JKHVLLODTFTXKW-UHFFFAOYSA-N 231.226 2.510 0 40 BFAB CN(C)C(=O)c1ccc(C(C)(C)C)cc1 99644 CBIBDXNRXPFAAU-UHFFFAOYSA-N 205.301 2.686 0 40 BFAB O=C(O)/C=C/c1cc(Cl)cc(Cl)c1O 2504982 HSHSKKBWGAASPH-OWOJBTEDSA-N 233.050 2.797 0 40 BFAB CCOc1ccc(NC2=N[C@H](C)CS2)cc1 3308363 MXGRIMRRGLUNLL-SECBINFHSA-N 236.340 2.989 0 40 BFAB CN1C(=S)Cc2cc(Br)ccc21 3434761 JNXVOHHCCLSGRL-UHFFFAOYSA-N 242.141 2.769 0 40 BFAB C[C@H]1CN=C(N[C@@H](C)c2ccccc2)S1 4207736 ZJIQMPFFCHYYLL-UWVGGRQHSA-N 220.341 2.829 0 40 BFAB CC(=O)C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C 5004903 NLPHDTMWKOYKFS-ADEWGFFLSA-N 226.316 2.579 0 40 BFAB Cc1cccc(CSc2nnc([C@H](C)N)o2)c1 5071475 PDQRHQPIUSTEBT-VIFPVBQESA-N 249.339 2.690 0 40 BFAB CCOc1ccccc1N1CCCC1=N 8048470 PIHKDZMIGRQRGS-UHFFFAOYSA-N 204.273 2.663 0 40 BFAB Cc1ccc(NC(=O)[C@@H](C)n2cccn2)cc1F 12915306 BCQBIIQIRKFIEM-SNVBAGLBSA-N 247.273 2.530 0 40 BFAB Brc1cnccc1N1CCCCC1 19801039 MGIXLQLBZGZUEN-UHFFFAOYSA-N 241.132 2.834 0 40 BFAB C[C@@H]1CCCCN1C(=O)c1ccnc(Cl)c1 19813378 SZJMOBJLNCPSDE-SECBINFHSA-N 238.718 2.750 0 40 BFAB CCCN(CCC)CC1(N)CCCCC1 20072277 KRAKCJXJNFTDLO-UHFFFAOYSA-N 212.381 2.770 0 40 BFAB CCCn1ccc(NCc2ccccc2)n1 20350467 ACDDIHFDGYVYKV-UHFFFAOYSA-N 215.300 2.905 0 40 BFAB Cc1sc(CC(=O)O)nc1-c1ccccc1 20432912 KRFZUIHBCNGEMN-UHFFFAOYSA-N 233.292 2.746 0 40 BFAB C[C@H](NCc1ccsc1)[C@H](O)c1ccccc1 22076637 ATELECFPJVUZCB-FZMZJTMJSA-N 247.363 2.960 0 40 BFAB CCCc1c(C)nn(Cc2ccccc2)c1N 26512141 FQESSIFPOPIVCY-UHFFFAOYSA-N 229.327 2.775 0 40 BFAB CCCC(=O)c1ccc(OC)cc1OC 31893493 XKHLHUQRSMTRPT-UHFFFAOYSA-N 208.257 2.687 0 40 BFAB COc1cccc(Cc2sc(N)nc2C)c1 35250905 KKYNPDQWFMWPFK-UHFFFAOYSA-N 234.324 2.633 0 40 BFAB Cc1nnc(Br)c2ccccc12 35663687 JFINSIKWRAQUOR-UHFFFAOYSA-N 223.073 2.701 0 40 BFAB Cc1ccc(-c2nn(C)c(N)c2C)c(C)c1 36938042 PMKZPZMYYKONHC-UHFFFAOYSA-N 215.300 2.595 0 40 BFAB COc1ccc(C[C@H](CC(=O)O)C(C)C)cc1 41269884 FNMUPZJFFRWPEE-GFCCVEGCSA-N 236.311 2.985 0 40 BFAB Cc1cc(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)no1 41591601 AZZZYRWGWNOQJN-RYUDHWBXSA-N 248.326 2.635 0 40 BFAB CC(C)NC[C@@H]1CCN(Cc2ccccc2)C1 53012110 ATVZOUGWKFEKFL-HNNXBMFYSA-N 232.371 2.507 0 40 BFAB CC[C@@H](NC(=O)C[C@H]1C=CCC1)C(C)C 57410526 DVAFCOULTQUJSB-NWDGAFQWSA-N 209.333 2.894 0 40 BFAB CC[C@H](C)N(C)C(=O)Nc1ccccc1 59334708 UZSKSZPRIDEHRT-JTQLQIEISA-N 206.289 2.949 0 40 BFAB O=C(Nc1ccc(=S)[nH]n1)c1ccccc1F 61966010 KBEDMRPQDBLYNM-UHFFFAOYSA-N 249.270 2.531 0 40 BFAB Cc1ccc(Nc2cc(=O)[nH]c(=S)[nH]2)c(C)c1 72226408 GGPAAAONSOCXIB-UHFFFAOYSA-N 247.323 2.793 0 40 BFAB Fc1ccccc1C[C@H]1CCCCNC1 75133329 PZXFDWZDCUXQAN-LLVKDONJSA-N 207.292 2.758 0 40 BFAB in-vitro Cc1nc(-c2ccc(O)c(C(=O)O)c2)cs1 85397482 AGRPFBITODLOAM-UHFFFAOYSA-N 235.264 2.522 0 40 BFAB Cc1cc(OC(C)C)ncc1Br 90411442 IUJPMHCTVQPXNJ-UHFFFAOYSA-N 230.105 2.940 0 40 BFAB Cc1[nH]ncc1[C@@H](C)NCc1ccc(F)cc1 95427006 SHUVXZZBSOTAME-SECBINFHSA-N 233.290 2.708 0 40 BFAB Cc1noc(NCc2ccc(Cl)s2)n1 95990343 HSEJFLXDKWGPJR-UHFFFAOYSA-N 229.692 2.705 0 40 BFAB c1cc(N2C[C@@H]3CCC[C@H]3C2)nc(C2CC2)n1 129055788 OPMKEZQJHCQWAW-RYUDHWBXSA-N 229.327 2.590 0 40 BFAB COC(=O)c1c[nH]cc1-c1ccccc1F 144258863 HFGGBEQCEPVYDE-UHFFFAOYSA-N 219.215 2.607 0 40 BFAB Cc1nc2c(c(C)nn2C)c(Cl)c1C 149834040 VLWCCMTVKQXYBU-UHFFFAOYSA-N 209.680 2.547 0 40 BFAB CC[C@@H](NN)c1ccccc1C(F)(F)F 161808396 YTHRXABHLKWIKO-SECBINFHSA-N 218.222 2.620 0 40 BFAB CCn1nccc1CNc1cn(C(C)C)nc1C 256049938 CAAVSKBSNUQGNQ-UHFFFAOYSA-N 247.346 2.601 0 40 BFAB C[C@@H](N[C@H]1CSC1(C)C)C(C)(C)C 307108452 KAPWCVKQFRVOTQ-BDAKNGLRSA-N 201.379 2.905 0 40 BFAB Cc1nc2cc(NC(=O)N3CCCC3)ccc2o1 409124763 CNCVAFDTPNAARE-UHFFFAOYSA-N 245.282 2.764 0 40 BFAB CCc1cc(-c2cccnc2)n(C2CC2)n1 887289306 URQLFVPCDRCOMH-UHFFFAOYSA-N 213.284 2.842 0 40 BFAB Clc1cc2cc(Br)[nH]c2cn1 953057889 UAEHTQLAZSHYOK-UHFFFAOYSA-N 231.480 2.979 0 40 BFAB c1cc2sc(N3C[C@H]4CCC[C@@H]4C3)nc2cn1 1888856734 JCMPHPCWMPCEFM-NXEZZACHSA-N 245.351 2.928 0 40 BFAB Cc1ccccc1C(=O)NCCC(C)C 30391 YNDNHEOIDGCSOS-UHFFFAOYSA-N 205.301 2.771 0 40 BFAB NC(=S)c1sccc1COc1ccccc1 165151 IOCTVBGDCAMSIF-UHFFFAOYSA-N 249.360 2.961 0 40 BFAB Clc1cc(Cl)c2nsnc2c1 291634 YAXMGGZDBSECMK-UHFFFAOYSA-N 205.069 2.998 0 40 BFAB Cc1cc(C)nc(NC(=O)C2CCCCC2)n1 384134 BUNGOUDEQJWENJ-UHFFFAOYSA-N 233.315 2.612 0 40 BFAB CC(C)(C)C(=O)Nc1ccc2oc(=O)ccc2c1 557599 DFEJMDPNYCKHSM-UHFFFAOYSA-N 245.278 2.778 0 40 BFAB CC(C)N(CCN1CCCCC1)c1ccccn1 1602370 JPUKBYDVOBJORO-UHFFFAOYSA-N 247.386 2.782 0 40 BFAB CCCCCCC(CC(=O)O)CC(=O)O 2377216 CGYIPJNNRRYASC-UHFFFAOYSA-N 216.277 2.522 0 40 BFAB Cc1ccc(OCc2ccc(C(=O)O)o2)cc1 2521383 DHFHOLRIPOTVQX-UHFFFAOYSA-N 232.235 2.865 0 40 BFAB O=C(c1ccccc1)[C@H]1Nc2ccccc2CO1 5488132 CFUWUAUHXZIICW-HNNXBMFYSA-N 239.274 2.838 0 40 BFAB Cc1ccnc(NC(=O)c2cccnc2Cl)c1 5936271 LIYKEFYLJCGLDA-UHFFFAOYSA-N 247.685 2.691 0 40 BFAB CC[C@@H](N[C@@H]1C(C)=Cc2ccccc21)C(=O)O 8730603 TZYIAZFUWMZFBD-CHWSQXEVSA-N 231.295 2.597 0 40 BFAB O=C(O)c1ccc(Oc2ccccn2)cc1 12370375 GKSKQZLHPWBLJL-UHFFFAOYSA-N 215.208 2.572 0 40 BFAB in-vitro CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 12818679 NRRAKXVAAJXKGZ-UHFFFAOYSA-N 233.267 2.687 0 40 BFAB Cc1cc(F)ccc1NC(=O)[C@@H](C)n1cccn1 12849866 XQAXGEWRNJTHAD-SNVBAGLBSA-N 247.273 2.530 0 40 BFAB CC(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 19870988 BHKSEAKLXNVZNY-GHMZBOCLSA-N 233.311 2.503 0 40 BFAB CCC(=O)Nc1ccc2sc(C(=O)O)cc2c1 20135986 DJEFUEKXBBOHMN-UHFFFAOYSA-N 249.291 2.948 0 40 BFAB O[C@]12CCCC[C@H]1[C@@H](c1ccccc1F)NCC2 20385121 KQIPCHXUWWIJAV-CFVMTHIKSA-N 249.329 2.781 0 40 BFAB c1ccc2cc(OCCNC3CC3)ccc2c1 20525274 YWIXKJHNCBRZRG-UHFFFAOYSA-N 227.307 2.971 0 40 BFAB COc1ccc(NC(=O)C=C(C)C)cc1OC 22928336 MSNZPEWWQYXSFI-UHFFFAOYSA-N 235.283 2.609 0 40 BFAB COc1cc(F)ccc1NC(=O)c1ccoc1 25311494 YXDRQEAUOIPKKH-UHFFFAOYSA-N 235.214 2.680 0 40 BFAB CCC(C)(C)NC(=O)c1ccccc1F 32666439 WITYTARKAMSABC-UHFFFAOYSA-N 209.264 2.744 0 40 BFAB CCc1c(-c2ccccc2C)noc1N 36916573 BSNLNWFOCILZEZ-UHFFFAOYSA-N 202.257 2.795 0 40 BFAB COc1ccc(CNc2ccnc(Cl)n2)cc1 38579793 URYHJKZKECLILE-UHFFFAOYSA-N 249.701 2.751 0 40 BFAB O=C1Nc2ccccc2NC12CCCCC2 39331228 NRVOFCXMWVWSGZ-UHFFFAOYSA-N 216.284 2.754 0 40 BFAB CCC(C)(C)NC(=O)NC(C)(C)CC 39404091 LTMDDDXVPZMEFE-UHFFFAOYSA-N 200.326 2.663 0 40 BFAB C[C@H](Cc1ccco1)NC(=O)C[C@@H]1C=CCC1 40074700 PSQFORNGHDVYMZ-VXGBXAGGSA-N 233.311 2.683 0 40 BFAB Cc1ccc2ccc(Br)c(N)c2n1 40538025 CYEBEPMGPRYZCW-UHFFFAOYSA-N 237.100 2.888 0 40 BFAB C[C@H]1c2ccsc2CCN1C(=O)NC1CC1 48844607 WPVVUCURMCFCPA-QMMMGPOBSA-N 236.340 2.539 0 40 BFAB Cc1ccc(Nc2cc(N)nc(C3CC3)n2)cc1 49467578 KJMMIMCZVJUEBN-UHFFFAOYSA-N 240.310 2.988 0 40 BFAB Brc1cccnc1OC1CCC1 50521117 FFKOZSRDMOJHEG-UHFFFAOYSA-N 228.089 2.775 0 40 BFAB in-vitro CCOc1ccc(C2(O)CCCC2)cc1 55190167 BQHBVQOVBMOSCK-UHFFFAOYSA-N 206.285 2.847 0 40 BFAB in-vitro O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)C1CC1 55274564 GTRRRNMDQVLUAB-BDAKNGLRSA-N 235.249 2.634 0 40 BFAB CNC[C@H](OC(C)C)c1c(F)cccc1F 62711701 KYPKZPDFSUNAJJ-NSHDSACASA-N 229.270 2.650 0 40 BFAB CC1(C)C(=O)[C@]2(Br)CC[C@@]1(C)C2 72207158 ZQHHFVUVFKAHSG-UWVGGRQHSA-N 231.133 2.919 0 40 BFAB CCN1CCCC[C@H]1c1ccc(C)nc1 72211253 SHTLUNYUAGFTIH-ZDUSSCGKSA-N 204.317 2.937 0 40 BFAB COC(=O)c1cc2scc(Cl)c2[nH]1 72226024 BEMUCZOBFBMGJZ-UHFFFAOYSA-N 215.661 2.669 0 40 BFAB C[C@@H](O)Cc1cc(F)cc(Br)c1 72305102 YQUVXYWQOWWRGT-ZCFIWIBFSA-N 233.080 2.512 0 40 BFAB in-vitro CCC1(CN)CCN(Cc2ccccc2)CC1 83255273 KOQROPHOWGHQBW-UHFFFAOYSA-N 232.371 2.638 0 40 BFAB in-vitro CC(C)(C)c1ccnn1-c1ccc(C(=O)O)cc1 85386162 GJJXZCAGSSDOIC-UHFFFAOYSA-N 244.294 2.868 0 40 BFAB C[C@@H](CC(=O)N1CCCC1)c1ccccc1F 89894512 OJQUREHDXNSWKF-NSHDSACASA-N 235.302 2.942 0 40 BFAB CCCCCCN(C)[C@H]1CCCN(C)C1 89953371 JZYYMSVTHGAEMI-ZDUSSCGKSA-N 212.381 2.593 0 40 BFAB CCCCOc1cc(F)cc(C(=O)O)c1 95732470 CITURDNNQNVHFZ-UHFFFAOYSA-N 212.220 2.703 0 40 BFAB Cc1ccc([C@H](NN)c2ccccc2)cc1 144288137 BKHZUUCFJZEQMG-CQSZACIVSA-N 212.296 2.548 0 40 BFAB Cc1cccc(NCCCNc2ccccn2)n1 184559275 PBPHDEXVPYTLDF-UHFFFAOYSA-N 242.326 2.699 0 40 BFAB CCN1CCC[C@H](CNC[C@@H]2CC=CCC2)C1 195545002 QHASYNVYRJRCPZ-HUUCEWRRSA-N 236.403 2.664 0 40 BFAB Cn1c(CO)ccc1CC1CCCCC1 226023538 JTCNJDBKFFNLJF-UHFFFAOYSA-N 207.317 2.640 0 40 BFAB C[C@H](Oc1ccc(Br)cc1)[C@H]1CO1 256050120 CTNKYAWRIWSYGI-OIBJUYFYSA-N 243.100 2.615 0 40 BFAB Cc1ccc(C(=O)N2C[C@H]3C[C@H]2CS3)c(C)c1 575605529 FTGUUEPBTQWESQ-NWDGAFQWSA-N 247.363 2.633 0 40 BFAB C[C@@H](NC=O)c1ccc(Cl)c(Cl)c1 295702 OSRXSVSFUBKRNV-ZCFIWIBFSA-N 218.083 2.800 0 40 BFAB Nc1ccc2c(c1)C(=O)c1cc(N)c(Cl)cc1-2 1698859 ABNRDGNCDFAXHA-UHFFFAOYSA-N 244.681 2.716 0 40 BFAB COc1cc2ccc(NC(C)=O)cc2cc1OC 1722630 NOAJUPARTOEVCY-UHFFFAOYSA-N 245.278 2.815 0 40 BFAB CNC(=S)SCCOc1cccc(C)c1 2309478 YCQQTBFVLYWQKP-UHFFFAOYSA-N 241.381 2.611 0 40 BFAB CC(C)c1cccc2sc(NN)nc12 2538974 XXVVRBDWELBZIB-UHFFFAOYSA-N 207.302 2.705 0 40 BFAB Cc1ccc([C@H]2NCC[C@@]3(O)CCCC[C@H]23)cc1 3995995 YQDZCQUVNRHELP-OAGGEKHMSA-N 245.366 2.951 0 40 BFAB Cc1cccc(C(C)(C)C)c1OCCN 4227453 WJNHLYBVXXINQP-UHFFFAOYSA-N 207.317 2.630 0 40 BFAB C/C=C/C=C1/N=C(c2ccc(F)cc2)OC1=O 5000789 HHGPFYNLTRYKRW-TTWWKFCBSA-N 231.226 2.589 0 40 BFAB CC1CCN(Cc2ccccc2C(=O)O)CC1 11800619 QDSKBZXCUWSISY-UHFFFAOYSA-N 233.311 2.617 0 40 BFAB CN(C)CCOc1ccc2ccccc2c1C=O 11992987 FKGWKHJXWUFYGV-UHFFFAOYSA-N 243.306 2.593 0 40 BFAB Cc1ccccc1CNc1ccccc1C(N)=O 12537202 SHRQSROJABKEIQ-UHFFFAOYSA-N 240.306 2.706 0 40 BFAB CCOP(=O)(Nc1cccc(C)n1)OCC 15953403 KLFDCZLHSYPFNH-UHFFFAOYSA-N 244.231 2.983 0 40 BFAB O=C(O)CCNc1cccc(C(F)(F)F)c1 20133708 WBJRTPLTDCLKFR-UHFFFAOYSA-N 233.189 2.592 0 40 BFAB Cc1ccc(N[C@@H](C)C(=O)NCC(C)C)c(C)c1 20312771 HVELIKDUIBUCKH-ZDUSSCGKSA-N 248.370 2.876 0 40 BFAB O=Cc1c[nH]c2cc(OC(F)(F)F)ccc12 26894176 SYHWDFUXSQIWHE-UHFFFAOYSA-N 229.157 2.879 0 40 BFAB COc1ccccc1C(=O)N(C)Cc1ccco1 33028172 VXSYUWUKESGQJO-UHFFFAOYSA-N 245.278 2.560 0 40 BFAB Cc1c(C(=O)O)[nH]c2cc(Cl)ccc12 34583570 DYVDDDKAEPQDGB-UHFFFAOYSA-N 209.632 2.828 0 40 BFAB C=CC(=O)N1CCC[C@@H]1c1ccccc1 36335052 JPYDGKFNSYFGLT-GFCCVEGCSA-N 201.269 2.536 0 40 BFAB CCOC(=O)CCNC1CCCCCCC1 36667813 FIAXOWWPVAKIQK-UHFFFAOYSA-N 227.348 2.642 0 40 BFAB Cc1ccccc1NC(=O)CN[C@@H](C)CC(C)C 37264874 JFDIWJKLEDEEGT-ZDUSSCGKSA-N 248.370 2.958 0 40 BFAB CN(C)c1ncc(C(F)(F)F)cc1Cl 42783523 RXUQWDZDFAFXSS-UHFFFAOYSA-N 224.613 2.820 0 40 BFAB c1ccc2[nH]c([C@H]3CCN(C4CCC4)C3)nc2c1 49169036 JBSUVFMGMUVLCX-NSHDSACASA-N 241.338 2.905 0 40 BFAB biogenic,in-vitro Cc1cc(F)ccc1[C@@H](O)c1ccccn1 55201249 RASXFZJGOUMHHQ-CYBMUJFWSA-N 217.243 2.611 0 40 BFAB C[C@H]1CCC[C@@H](C)N1C(=O)/C=C/c1ccccn1 69580595 WSZUVDRMUVAGNK-FGKUHMIRSA-N 244.338 2.884 0 40 BFAB Cn1cc(C(=O)O)c2ccc(Cl)cc21 71492544 UMVCXQBKCZPXCR-UHFFFAOYSA-N 209.632 2.530 0 40 BFAB CC(C)c1ocnc1C(=O)N1C[C@@H](C)[C@H](C)C1 72303681 OJKRKLKXFULZAU-NXEZZACHSA-N 236.315 2.526 0 40 BFAB Cc1coc2c1[C@H](O)C[C@@H](C(F)(F)F)C2 85399167 QHPGXOSSNIGLBJ-RNFRBKRXSA-N 220.190 2.746 0 40 BFAB CCCN1CCC[C@H]1C(=O)OCC(C)(C)CC 95455091 WMOUBSJQRCZRFD-LBPRGKRZSA-N 241.375 2.840 0 40 BFAB COc1ccc(Br)c2c1CC2 95883919 SBKIICHVFAIMAM-UHFFFAOYSA-N 213.074 2.556 0 40 BFAB CC(=O)c1c(O)n(C)c2ccc(Cl)cc12 96026264 OEIGNNGTXIRIMM-UHFFFAOYSA-N 223.659 2.740 0 40 BFAB CC(C)=CCC[C@H](C)NC[C@@]1(O)CCSC1 96478999 DTEJCKNIFINPIY-STQMWFEESA-N 243.416 2.579 0 40 BFAB C[C@@H](c1ccccn1)N(C)CCc1ccncc1 97051112 WWUKJJDVJQLRCE-ZDUSSCGKSA-N 241.338 2.712 0 40 BFAB Cc1ccccc1-n1nc2c(c1O)CCCC2 100072150 YVFIRRAXKUJTQV-UHFFFAOYSA-N 228.295 2.765 0 40 BFAB Cc1ccc(C)c(N[C@@H]2CCCC[C@H]2N)c1 218862583 NZRYCRAMATYRQM-CHWSQXEVSA-N 218.344 2.985 0 40 BFAB CC[C@H](C)n1nccc1CNc1cc(C)n(C)n1 256051955 LGRCVGUVFLBOKJ-JTQLQIEISA-N 247.346 2.508 0 40 BFAB CC(C)CCCN[C@H]1CSC1(C)C 336645109 VETDJBSATWWYMG-JTQLQIEISA-N 201.379 2.906 0 40 BFAB Cc1cccc2c(CO)cc(C3CC3)nc12 685936870 DJIBKWHTTRQTPX-UHFFFAOYSA-N 213.280 2.913 0 40 BFAB Cc1ccc2ncc(OC3CC3)c(C(=O)O)c2c1 685937285 MGPJIQCSUZUJIA-UHFFFAOYSA-N 243.262 2.783 0 40 BFAB Cc1cc(C(=O)NC2CCCCC2)ncc1F 1888853588 MKSTUFRDILYAMV-UHFFFAOYSA-N 236.290 2.592 0 40 BFAB CC(C)NC(=O)c1cc(-c2cccs2)on1 123495 DUVNGVHHLPZRQA-UHFFFAOYSA-N 236.296 2.541 0 40 BFAB Cc1ccccc1C(=O)OCCN1CCCCC1 210629 RYBCJIAVNBUCAX-UHFFFAOYSA-N 247.338 2.638 0 40 BFAB c1ccc(-c2c[nH]c3[n+]2CCCCC3)cc1 493918 LYZIHRXKGRJCAM-UHFFFAOYSA-O 213.304 2.696 0 40 BFAB Cc1ccc2ccccc2c1NC1=NCCO1 1639201 MJKOTIUTQZMRJL-UHFFFAOYSA-N 226.279 2.946 0 40 BFAB O=C1CC[C@H]([C@H]2CCc3cc(O)ccc3C2)C1 1708293 FHYIFXKLWBYONC-GWCFXTLKSA-N 230.307 2.866 0 40 BFAB biogenic,in-vitro O=C(O)[C@]1(c2ccccc2)O[C@@H]1c1ccccc1 1733980 VTCBMUQQGHEZCK-UKRRQHHQSA-N 240.258 2.738 0 40 BFAB CCn1cc(C(=O)Nc2cc(C)ccc2C)cn1 2763710 AJYSMOBFQWZMMT-UHFFFAOYSA-N 243.310 2.772 0 40 BFAB Cc1ccc(-c2csc(CN)n2)cc1 3709639 CBAMQMNOJBKYSN-UHFFFAOYSA-N 204.298 2.577 0 40 BFAB in-vitro Cc1csc(NC(=O)Cc2cccs2)n1 4192076 IXEVWVGBDQWRGB-UHFFFAOYSA-N 238.337 2.694 0 40 BFAB Cc1nc(COc2ccc(C(=O)O)cc2)cs1 4207352 XLAHFZQELKMMMP-UHFFFAOYSA-N 249.291 2.729 0 40 BFAB CCC[C@H]1O[C@@H](CCOC)OC[C@@H]1CC 4727123 IRUGBMFSJMQEGN-TUAOUCFPSA-N 216.321 2.591 0 40 BFAB COC[C@@H](C)Oc1ccc(N)cc1C(F)(F)F 6678029 UPCZGVUZZIDAEX-SSDOTTSWSA-N 249.232 2.701 0 40 BFAB CCC[C@@H](N[C@@H]1C=Cc2ccccc21)C(=O)O 8730649 KSKUMFZWVPHHSB-CHWSQXEVSA-N 231.295 2.597 0 40 BFAB CC(C)CCC(=O)Nc1nnc(C2CC2)s1 9750304 GSRUQZCMTSGWOO-UHFFFAOYSA-N 239.344 2.790 0 40 BFAB CCn1c(NC(=O)C2CCC2)nc2ccccc21 10651458 GPVCGQLNOYACCN-UHFFFAOYSA-N 243.310 2.795 0 40 BFAB O=C(NC1CC1)c1occc1-c1ccccc1 12972249 YOSPNAPZNZLRON-UHFFFAOYSA-N 227.263 2.839 0 40 BFAB Brc1ccc(-c2ncccn2)cc1 16124746 PFLPZHPQFNFTRF-UHFFFAOYSA-N 235.084 2.906 0 40 BFAB CC[C@H](NCCOC)c1ccc(F)cc1 19881483 NRMPIKMOFWYKBJ-LBPRGKRZSA-N 211.280 2.513 0 40 BFAB CCN(Cc1ccccc1)C[C@@H]1CCCCN1 20486661 RWSFSWBSRODXRJ-HNNXBMFYSA-N 232.371 2.651 0 40 BFAB Cc1cc(C(=O)N[C@@H](C)c2ccccc2C)no1 23679596 ZTIJCJNLMOVWAH-NSHDSACASA-N 244.294 2.782 0 40 BFAB CC[C@@H]1CC[C@H](C)N(COC(=S)S)C1 31923264 WKFBJZPCQAURFP-DTWKUNHWSA-N 233.402 2.686 0 40 BFAB CC1CCN(C(=O)c2ccc(Cl)o2)CC1 32727016 QKBCFVBWEZOMGJ-UHFFFAOYSA-N 227.691 2.805 0 40 BFAB C=CC(=O)N[C@@H](C)c1cc2ccccc2o1 37007741 KAYPLTKRPDTUBI-VIFPVBQESA-N 215.252 2.796 0 40 BFAB COc1ccc(OCc2ccccc2)c(CO)c1 37093857 CFAWFGBQSKCBJM-UHFFFAOYSA-N 244.290 2.767 0 40 BFAB N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 37483366 SYKHNMBLUOWWIZ-MRVPVSSYSA-N 231.126 2.531 0 40 BFAB in-vitro CC[C@@H](C)CNCc1cccc(OC)c1 37680262 RDILZAKXNUEOFM-LLVKDONJSA-N 207.317 2.831 0 40 BFAB CCCCCCNC(=O)Nc1nccs1 40050611 MGTPUBUJJIDLSY-UHFFFAOYSA-N 227.333 2.845 0 40 BFAB CC[C@H](CN)Oc1ccccc1C(F)(F)F 43541400 BWMLJEFNVFTVRC-MRVPVSSYSA-N 233.233 2.822 0 40 BFAB in-vitro COC(=O)c1ccc(C)cc1C(F)(F)F 47202440 ZHUZPADBPGXYOO-UHFFFAOYSA-N 218.174 2.800 0 40 BFAB COc1cccc(CCNC(=O)CC(C)(C)C)c1 48299406 OFFKPQNMRIRNHH-UHFFFAOYSA-N 249.354 2.790 0 40 BFAB CC(C)N(Cc1ccccc1)C[C@H]1CCNC1 51889897 FWAOJFGDTNTJHN-HNNXBMFYSA-N 232.371 2.507 0 40 BFAB CC(C)C[C@H](CN)N[C@@H](C)c1ccccc1 62151981 KKVIPCWNLAUNJZ-GXTWGEPZSA-N 220.360 2.711 0 40 BFAB in-vitro Cc1ccc(Cn2cccc(C)c2=O)cc1 71516839 BMTIACDYZVXNNV-UHFFFAOYSA-N 213.280 2.513 0 40 BFAB N=C(N)SCc1cccc(Cl)c1F 71980699 LOLFATBKUDLGHD-UHFFFAOYSA-N 218.684 2.606 0 40 BFAB c1ccc(CN2CCC[C@@H]2c2cnccn2)cc1 72356845 QFUBEALLAKBAAJ-OAHLLOKOSA-N 239.322 2.814 0 40 BFAB CC(C)(C)OC(=O)Nc1c(F)ccc(N)c1F 80441699 MFGOJIYYBUJTCX-UHFFFAOYSA-N 244.241 2.894 0 40 BFAB CCCCCNCc1ccn(C(C)C)n1 82866349 QDTGUUADQLXEQG-UHFFFAOYSA-N 209.337 2.744 0 40 BFAB COc1ccc(-c2csc(C)n2)cc1C(=O)O 85397486 CZCOWLDOEAZEDJ-UHFFFAOYSA-N 249.291 2.825 0 40 BFAB C[C@H]1CCC(=O)[C@@H](Cc2cccnc2)C1 86355077 XHGVXYJZMBMEPR-CMPLNLGQSA-N 203.285 2.629 0 40 BFAB CC(=O)c1cccc(COC(=O)c2ccoc2)c1 89331310 PALGBLDKCHAWSP-UHFFFAOYSA-N 244.246 2.839 0 40 BFAB COc1ccnc(NC(=O)c2sccc2C)c1 89982360 GRRJCHMKIJVZRD-UHFFFAOYSA-N 248.307 2.712 0 40 BFAB Cc1ccc([C@H](O)c2ccccn2)cc1F 95727409 BCFDYASNJCZVQH-ZDUSSCGKSA-N 217.243 2.611 0 40 BFAB C[C@@H]1CCCN(Cc2cccc(C=O)c2)C1 95738627 GPHCWOBTESBVSS-GFCCVEGCSA-N 217.312 2.731 0 40 BFAB CC[C@H](S[C@@H](C)C(N)=O)c1ccccc1 96433444 SPKWWCUKZDHUEG-ONGXEEELSA-N 223.341 2.745 0 40 BFAB O=C(O)c1ccc(C2CC2)nc1C(F)F 96529402 ZPLZXLMYXMZXMS-UHFFFAOYSA-N 213.183 2.595 0 40 BFAB COc1ccc(NC(=O)[C@@H]2CC=CCC2)c(C)n1 98019339 VBBAPFGXWJBBJS-LLVKDONJSA-N 246.310 2.693 0 40 BFAB OCc1cn(-c2ccc(Cl)cc2Cl)cn1 217749355 JIRQWMRQZKNONH-UHFFFAOYSA-N 243.093 2.671 0 40 BFAB CC[C@@H](C)NC(=O)c1conc1-c1ccccc1 225870465 WRQMCNSIKOUABC-SNVBAGLBSA-N 244.294 2.870 0 40 BFAB COC(=O)c1ccc(C2CCCCC2)[nH]1 238397646 NJYLWZVVLWUHOT-UHFFFAOYSA-N 207.273 2.849 0 40 BFAB CSc1nc(O)c2c(Cl)cccc2n1 888107218 ZITFDQCQAZZFSI-UHFFFAOYSA-N 226.688 2.711 0 40 BFAB COc1ccc(C[n+]2c(C)cc(C)cc2C)cc1 1857787648 ZYAKCVOTIKYUFW-UHFFFAOYSA-N 242.342 2.956 0 40 BFAB NOc1ccc(Cl)cc1C(F)(F)F 2362797508 CWTVLGMJTNIIRW-UHFFFAOYSA-N 211.570 2.611 0 40 BFAB CCc1ccc(NC(=O)c2cccnc2)cc1 305104 AWDYUOAZBWLDPR-UHFFFAOYSA-N 226.279 2.896 0 40 BFAB C[C@H]1Cc2ccccc2N1C(=O)c1ccncc1 419833 DRINHURIOWNUEJ-NSHDSACASA-N 238.290 2.673 0 40 BFAB O=C(O)c1ccc2c(c1)Cc1ccccc1-2 1037162 IBIDFEWDKNJSRD-UHFFFAOYSA-N 210.232 2.956 0 40 BFAB in-vitro Cc1occc(=O)c1OCc1ccc(F)cc1 1392031 JSPXGPOJCDKMEA-UHFFFAOYSA-N 234.226 2.666 0 40 BFAB CC(C)NC(=O)c1cccc(C(F)(F)F)c1 1405224 SBYDPANTRXQTOZ-UHFFFAOYSA-N 231.217 2.844 0 40 BFAB CCCCOC(=O)[C@H]1CC1(Cl)Cl 1679946 VYRWTRCVUHZCOS-ZCFIWIBFSA-N 211.088 2.524 0 40 BFAB COc1ccc(CC[C@H]2CCCCN2)cc1 3734632 WTRWDGMEHFSTHC-CYBMUJFWSA-N 219.328 2.770 0 40 BFAB O=C(c1ccc(-n2cccc2)cc1)N1CCCC1 4050968 QCYRQCGSDBQCAZ-UHFFFAOYSA-N 240.306 2.713 0 40 BFAB Cn1c(=N)sc2c3ccccc3ccc21 4192032 LGTRUCDIPDQJMH-UHFFFAOYSA-N 214.293 2.872 0 40 BFAB COc1ccccc1CSc1ncccn1 6485120 XDGDXXBXMWZEHH-UHFFFAOYSA-N 232.308 2.778 0 40 BFAB CC(C)CC(=O)N[C@@H]1CCCc2occc21 12922016 ZFVMHUMCUWUUFY-LLVKDONJSA-N 221.300 2.819 0 40 BFAB CC(C)(C)c1ccc(OC[C@H]2CCNC2)cc1 14632426 OXJNIKFDTZQRIT-LBPRGKRZSA-N 233.355 2.972 0 40 BFAB CCN(CC)[C@H](CN)c1c(F)cccc1Cl 19796254 CQXUFPOTBVQJCP-LLVKDONJSA-N 244.741 2.821 0 40 BFAB O=C(O)c1ccnc(NC2CCCCC2)c1 19844537 KEWFMSFLBGLGAE-UHFFFAOYSA-N 220.272 2.524 0 40 BFAB C[C@@H](N)[C@@H]1C[C@@H]1c1ccccc1Br 20594418 JJRCPHOYTSNRQT-FKTZTGRPSA-N 240.144 2.900 0 40 BFAB Fc1ccc(-c2cccc3nncn23)cc1 30822742 LWWFLFOEUDCILW-UHFFFAOYSA-N 213.215 2.535 0 40 BFAB C[C@@H](c1ccc(F)cc1)N1CCO[C@H](C)C1 32865551 QQULBPAWSHVMCJ-MNOVXSKESA-N 223.291 2.607 0 40 BFAB C[C@H](C1CC1)N(C)C(=O)c1ccc(F)cc1 32907020 CBJYLXAJUJQJDB-SECBINFHSA-N 221.275 2.696 0 40 BFAB Nc1cc(C(F)(F)F)n(C2CCCC2)n1 35655652 TZNBNFYHFXTGOC-UHFFFAOYSA-N 219.210 2.599 0 40 BFAB CC(C)[C@H](C)N1Cc2ccc(N)cc2C1 36683400 GDQUEUGAGGKHPU-JTQLQIEISA-N 204.317 2.629 0 40 BFAB in-vitro Cc1ccsc1CNCCc1cccnc1 37502647 ZPLFUURFONEAGE-UHFFFAOYSA-N 232.352 2.784 0 40 BFAB O=Cc1c[nH]c2c(C(F)(F)F)cccc12 38524263 GDUUDMQIHBCSCJ-UHFFFAOYSA-N 213.158 2.999 0 40 BFAB CC(C)N(C(=O)CN1CCCC[C@H]1C)C(C)C 40161817 QBRDUHSIULJVAS-CYBMUJFWSA-N 240.391 2.506 0 40 BFAB CS[C@@H](C)C(=O)Nc1ccccc1F 42795318 UZRMKVDSRIBDIS-ZETCQYMHSA-N 213.277 2.516 0 40 BFAB Cc1cc(C)cc(C(=O)c2ncco2)c1 43210584 JSWGMEGDGPFYTL-UHFFFAOYSA-N 201.225 2.522 0 40 BFAB CC(=O)CCCC(=O)c1ccnc(Cl)c1 43210620 WNSPPOAPQDYPKR-UHFFFAOYSA-N 225.675 2.677 0 40 BFAB Cc1nc(C2CCCCC2)ncc1C(=O)O 43557912 IZCIZUIDCUYKAO-UHFFFAOYSA-N 220.272 2.531 0 40 BFAB Cc1cc(CN(Cc2ccco2)C2CC2)no1 45004778 VBAGYTYRVMWVBU-UHFFFAOYSA-N 232.283 2.741 0 40 BFAB Cc1ccc(C(=O)c2cc(F)ccc2F)nc1 45028566 JVIRTMPCNYTQMH-UHFFFAOYSA-N 233.217 2.899 0 40 BFAB Cc1ccc(NC(=O)NCC(F)(F)F)cc1C 46915816 OPLKOQFKUDSDNB-UHFFFAOYSA-N 246.232 2.987 0 40 BFAB Cc1ccc(O[C@@H](C)C(=O)NCC(C)C)cc1 48090011 AMFFTQLCYOBAGV-LBPRGKRZSA-N 235.327 2.535 0 40 BFAB O=C(CCc1ccccc1)NCC1CCC1 48182225 RYFXCSGSZPNDRC-UHFFFAOYSA-N 217.312 2.536 0 40 BFAB Cc1nc(N)cc(Nc2ccc(C)c(C)c2)n1 49467254 OKLJEKNBNPLVFD-UHFFFAOYSA-N 228.299 2.728 0 40 BFAB Cn1c(NC(=O)C2CC2)nc2cc(Cl)ccc21 49497084 URRISHGGZKYWTC-UHFFFAOYSA-N 249.701 2.575 0 40 BFAB CCC[C@@H](C)NC(=O)COc1c(C)cccc1C 49890855 AIDZOLMODYDBQF-CYBMUJFWSA-N 249.354 2.987 0 40 BFAB Cn1cc(C=O)c2ccc(Br)cc21 58823869 KJMVCBMQKYKOFN-UHFFFAOYSA-N 238.084 2.753 0 40 BFAB C[C@H]1C[C@@H]1C(=O)NCCc1ccccc1Cl 67084375 UEKGVEDTFXERPX-ONGXEEELSA-N 237.730 2.655 0 40 BFAB Cc1ccnc([C@@H]2CCN(C3CCCCC3)C2)n1 72381183 HJTXPYJKTDXBHB-CYBMUJFWSA-N 245.370 2.907 0 40 BFAB CO[C@@]1(C)C[C@@H](NC2CCSCC2)C1(C)C 72926276 ZXNCXGJZFUZVMV-YPMHNXCESA-N 243.416 2.675 0 40 BFAB Brc1ccc2c(c1)NCC21CC1 83044261 KAEJBWOGMVMEAN-UHFFFAOYSA-N 224.101 2.906 0 40 BFAB Cc1ccc(C(=O)O)cc1NC(=O)C1CC=CC1 85159594 BSSOKZDIYOGUQC-UHFFFAOYSA-N 245.278 2.598 0 40 BFAB CCCCC(=O)c1ccc(C(=O)O)cc1 85386463 GWNGCRPYKPVEBL-UHFFFAOYSA-N 206.241 2.758 0 40 BFAB Brc1ccc(Oc2cn[nH]c2)cc1 95095553 ZAVLEOUUBJCEJA-UHFFFAOYSA-N 239.072 2.965 0 40 BFAB CC(C)N[C@@H](c1ccc(F)cc1)c1ccn(C)n1 97034836 JTBRTQZDYBURAS-AWEZNQCLSA-N 247.317 2.647 0 40 BFAB C/C(=N/Nc1ccc(C)c(Cl)c1)c1c(C)nn(C)c1C 97372294 BSTXUSINYCTQNJ-UHFFFAOYSA-N 290.798 3.835 0 40 BFAB CCn1cc(Cc2ccc(Cl)cc2)nc1N 199550237 NHQSVTKZJJNMOJ-UHFFFAOYSA-N 235.718 2.729 0 40 BFAB Cc1cc(C)c(N)c(N2CCCCC2)c1 223777193 ZPLZPYFOMMJERY-UHFFFAOYSA-N 204.317 2.876 0 40 BFAB CCCN(c1cccc(C)c1C)[C@@H](C)C(=O)O 224982100 IYCGOKFLQFBPGI-LBPRGKRZSA-N 235.327 2.993 0 40 BFAB CC(C)(C)Oc1nccc(N)c1Br 242522213 IMGUFHYROOXDIV-UHFFFAOYSA-N 245.120 2.604 0 40 BFAB Cc1ccc2cc(CCCCN)cnc2c1 256051038 HMCMJYDVNCCVCV-UHFFFAOYSA-N 214.312 2.825 0 40 BFAB FCCn1cc(NCc2ccc(F)cc2)cn1 256054815 XXFOYLLOVGVVPE-UHFFFAOYSA-N 237.253 2.604 0 40 BFAB CC(C)(C)NC(=O)N1CCC(C2CC2)CC1 724812710 UEVDVNWJTPNSAD-UHFFFAOYSA-N 224.348 2.617 0 40 BFAB Cc1cc(NC(=O)c2ccccc2Cl)no1 338498 MOTWKVACXVQFCY-UHFFFAOYSA-N 236.658 2.889 0 40 BFAB Cc1ccc(-n2nnnc2-c2cccs2)cc1 411358 PZFBSVPHLSUVDO-UHFFFAOYSA-N 242.307 2.699 0 40 BFAB CCOCC(=O)Nc1cc(Cl)ccc1C 2069470 BWGONZZIFQPQMU-UHFFFAOYSA-N 227.691 2.623 0 40 BFAB Cc1csc(N[C@@H]2OC(=O)c3ccccc32)n1 2482656 KJFCTLIMEXPYLM-SNVBAGLBSA-N 246.291 2.733 0 40 BFAB O=C(N[C@@H]1CCCc2ccccc21)C1CCC1 3560053 QRSYQUNEXRKMQV-CQSZACIVSA-N 229.323 2.980 0 40 BFAB CCCCC(=O)Nc1nc2ccccc2[nH]1 5939325 PUFADSOXAIVDSB-UHFFFAOYSA-N 217.272 2.692 0 40 BFAB O=c1c(-c2ccccc2)n[nH]c2ccccc12 8772755 DCVQXYWIIQWVKR-UHFFFAOYSA-N 222.247 2.590 0 40 BFAB CN(C)C(=O)/C(=C/c1ccco1)c1ccccc1 9667950 WVRVYGIPBGORAR-SDNWHVSQSA-N 241.290 2.908 0 40 BFAB O=C(NCCc1ccsc1)C1CCCCC1 13698206 TWYKVPPOWVPJQI-UHFFFAOYSA-N 237.368 2.987 0 40 BFAB O=C(Nc1ccccc1)OCc1cccnc1 16489700 BGBOODQFOVIVKB-UHFFFAOYSA-N 228.251 2.830 0 40 BFAB S=C1[C@H]2CCC[C@@H]2N=C2c3ccccc3CN12 16756646 NDRSTSINJROXCG-RYUDHWBXSA-N 242.347 2.759 0 40 BFAB COc1ccc(CNc2cccnc2)c(OC)c1 19884119 FSNCDISYKGYKQT-UHFFFAOYSA-N 244.294 2.711 0 40 BFAB COc1cccc([C@H](C)NC[C@H]2CCCO2)c1 19963619 ZVGASTUZMKBKCJ-SMDDNHRTSA-N 235.327 2.525 0 40 BFAB CC(=O)CCc1c[nH]c2cc(C)ccc12 20269286 OVAJPPRXPRODON-UHFFFAOYSA-N 201.269 2.998 0 40 BFAB COC(=O)CCSc1ccc(C)cc1 20297589 IIUVCODBTXABTG-UHFFFAOYSA-N 210.298 2.650 0 40 BFAB CCCOc1ccc([C@@H](C)N)cc1OC 22212631 PDQIVCBBIFGKSA-SECBINFHSA-N 209.289 2.504 0 40 BFAB Cc1cc(C(=O)NC[C@H](C)c2ccccc2)on1 23445060 YKTYIMHXMPLFSY-JTQLQIEISA-N 244.294 2.517 0 40 BFAB Clc1n[nH]c2c1CN(Cc1ccccc1)CC2 26461046 SPNCBXLNKWCSFK-UHFFFAOYSA-N 247.729 2.621 0 40 BFAB C[C@H]1CCCC[C@H]1N(C)C(=O)c1ccoc1 32787814 ZVAFQZJUJIITQD-CMPLNLGQSA-N 221.300 2.930 0 40 BFAB C[C@H](NC(=O)[C@H]1C[C@@H]1C)c1cccs1 32986499 YQRNABVEFVCXDZ-CIUDSAMLSA-N 209.314 2.581 0 40 BFAB NC[C@@H]1C[C@@H]1c1cccc(Br)c1 34893377 MRQUSUULKJTBOR-WCBMZHEXSA-N 226.117 2.511 0 40 BFAB Cc1ccc(CNC(=O)Nc2cccnc2)s1 40553514 VIMZVSDPZSLTFR-UHFFFAOYSA-N 247.323 2.773 0 40 BFAB Cc1ccc(C)c(OCC(=O)N[C@H](C)C(C)C)c1 41104066 SEALVBHQLNTVKF-CYBMUJFWSA-N 249.354 2.843 0 40 BFAB COc1ccccc1C[C@@H]1CCCCC1=O 41231264 GCSGSBFMZMOGEO-NSHDSACASA-N 218.296 2.997 0 40 BFAB CC(C)O[C@@H](CN)c1ccc(Cl)cc1 42948842 KYAGYAANZPCFLJ-NSHDSACASA-N 213.708 2.765 0 40 BFAB CC(=O)N(Cc1ccsc1)CC(F)(F)F 44447419 NZEMDBRQEVVHQT-UHFFFAOYSA-N 237.246 2.659 0 40 BFAB CCCN1CCN(CC2CCCCC2)CC1 52928534 JEOYRSOXOMCQTD-UHFFFAOYSA-N 224.392 2.594 0 40 BFAB COc1cc2[nH]ccc(=S)c2cc1OC 62718736 ADNTZFZWZQYGDI-UHFFFAOYSA-N 221.281 2.915 0 40 BFAB Nc1nc(-c2ccccc2)c2ccccn12 62721179 ITXHMRYTKSHBBD-UHFFFAOYSA-N 209.252 2.584 0 40 BFAB OCCCc1cccc(OC(F)(F)F)c1 70770012 FUBCIAHXKPFUCB-UHFFFAOYSA-N 220.190 2.510 0 40 BFAB Cc1cc(Cl)nc([C@H]2CCCCN2C)n1 72343831 WBTVNMZPILFKRX-SECBINFHSA-N 225.723 2.595 0 40 BFAB CC(C)C(=O)N1CCC(Cc2ccccn2)CC1 72361259 DWVWBITUVADOFB-UHFFFAOYSA-N 246.354 2.519 0 40 BFAB CCOC(=O)c1snnc1-c1ccc(C)cc1 72441336 STADHRWKELDOAC-UHFFFAOYSA-N 248.307 2.690 0 40 BFAB O=C(CCn1cccc1)Nc1ccc(Cl)nc1 73413978 MMPMCPDQZADLPP-UHFFFAOYSA-N 249.701 2.565 0 40 BFAB O=C(c1ccccn1)N1CCC2(CCCCC2)C1 89878930 HBVZYNSTKIHMBL-UHFFFAOYSA-N 244.338 2.878 0 40 BFAB Clc1cc(Cl)nc(Br)n1 96135607 SSRZBKAOTVKUSD-UHFFFAOYSA-N 227.876 2.546 0 40 BFAB CSCC[C@H](C)N(C)c1ncccc1F 96483050 DEAAAQRWAPLADP-VIFPVBQESA-N 228.336 2.799 0 40 BFAB COc1cc(Oc2ccc(N)cn2)ccc1C 117692432 JFBUWDSSHLAVEJ-UHFFFAOYSA-N 230.267 2.773 0 40 BFAB C[C@H](CCO)N[C@H]1C[C@@H](c2ccccc2)C1(C)C 123479925 FAYOMRJZIWWWRD-SNPRPXQTSA-N 247.382 2.929 0 40 BFAB COc1ccc(Cl)cc1-n1cccc1CO 223736011 FVNRTWKWSKNPFM-UHFFFAOYSA-N 237.686 2.632 0 40 BFAB O=C1Nc2ccc(Br)cc2[C@@H]2C[C@@H]12 225812072 IZNQQPFXDKFDOD-POYBYMJQSA-N 238.084 2.505 0 40 BFAB COc1ccc2c(c1)nc1n2[C@@H](C)CCC1 226251633 XFOKWBXYSISEHB-VIFPVBQESA-N 216.284 2.942 0 40 BFAB CC(C)[C@H](N)CCN1CC[C@@H]2CCCC[C@H]2C1 251322004 MLVPZLPJAZYUCD-SOUVJXGZSA-N 238.419 2.872 0 40 BFAB CC(C)(c1cccc(N)n1)C(F)(F)F 256052118 LZGCQTDAAZFDFC-UHFFFAOYSA-N 204.195 2.504 0 40 BFAB COCOc1c(Cl)cccc1Cl 307678554 KZPDJUHCAOWRLD-UHFFFAOYSA-N 207.056 2.976 0 40 BFAB CC(C)[C@H](O)CN[C@H](c1ccccn1)C1CCC1 528663339 YOASFLUSSDGBKM-CABCVRRESA-N 248.370 2.529 0 40 BFAB Cc1c(F)cc(Br)c(CO)c1F 642814749 VDMUGGUDWMFMNY-UHFFFAOYSA-N 237.043 2.528 0 40 BFAB CC=C1C[C@@H]2CC[C@H](C1)N2C(=O)NCC(C)C 1775996095 UTXYADJOZFLYFH-BETUJISGSA-N 236.359 2.925 0 40 BFAB CN(C)CC[C@H](C(=O)C(C)(C)C)c1ccccn1 1675596 WHFIZBVXVJYPFM-LBPRGKRZSA-N 248.370 2.732 0 40 BFAB in-vitro CCCC[C@](CC)(CO)[C@@H](O)c1ccco1 1697038 NQVJBEBKSHDOLT-QWHCGFSZSA-N 226.316 2.892 0 40 BFAB CCCCCn1c(=S)[nH]c2ncccc2c1=O 2959782 VHEUCKHHJUKLKQ-UHFFFAOYSA-N 249.339 2.644 0 40 BFAB CCOCC(=O)Nc1c(CC)cccc1CC 4671116 OSWLOGSHTXTPPC-UHFFFAOYSA-N 235.327 2.786 0 40 BFAB Nc1ccc(Br)c2c1CCCC2 5161754 FXWZSXMIGJRMNK-UHFFFAOYSA-N 226.117 2.910 0 40 BFAB O=Cc1cccn1CCCc1ccccc1 8730276 VMYRELDWLQUGAN-UHFFFAOYSA-N 213.280 2.933 0 40 BFAB CC[C@H](Nc1ccc(Cl)cc1)C(=O)O 8730614 CGGIPYHWUZWLJW-VIFPVBQESA-N 213.664 2.615 0 40 BFAB CCC(CC)(CC(=O)Nc1ccccc1)C(=O)O 11162291 RJQRTHISYJTBCO-UHFFFAOYSA-N 249.310 2.906 0 40 BFAB CCC(=O)Nc1ccc(NC(C)=O)c(Cl)c1 12736061 LJFXVUMXISVEFE-UHFFFAOYSA-N 240.690 2.647 0 40 BFAB O=C(NCc1cccc(Cl)c1)NCC1CC1 12971383 KDNBAEBSHAPIBJ-UHFFFAOYSA-N 238.718 2.549 0 40 BFAB O=C(NCc1ccsc1)c1cccs1 13698117 AOUSEPBGZSTQSR-UHFFFAOYSA-N 223.322 2.740 0 40 BFAB Cc1nn(-c2ccccc2F)c2c1C(=O)CCC2 16972893 JGRUDPVODOLPLV-UHFFFAOYSA-N 244.269 2.839 0 40 BFAB COc1cccc2c1CCN[C@H]2c1ccccc1 19625482 OGUQFAQOSUIREV-INIZCTEOSA-N 239.318 2.930 0 40 BFAB Cc1cc(N)ccc1NC(=O)c1ccc(F)cc1 19736352 BVYOFXROLDCQEF-UHFFFAOYSA-N 244.269 2.969 0 40 BFAB CCCOc1ccc(CNC(C)C)cc1 20085502 IWSFTEHFRCKPEU-UHFFFAOYSA-N 207.317 2.973 0 40 BFAB C[C@H](NC(=O)c1ccccc1F)c1ccccn1 28781103 GVSNKDGHOHRPFM-JTQLQIEISA-N 244.269 2.712 0 40 BFAB O=C(O)/C=C\c1ccccc1C(F)(F)F 31302610 AMVYAIXPAGBXOM-WAYWQWQTSA-N 216.158 2.803 0 40 BFAB Clc1cc(Cl)cc(OC[C@@H]2CO2)c1 36814213 WINSUAJGKBCXIF-SECBINFHSA-N 219.067 2.771 0 40 BFAB in-vitro Cc1ccc(-n2nc(C(F)(F)F)cc2N)cc1 41284621 FXOHYQYYOOIJPE-UHFFFAOYSA-N 241.216 2.782 0 40 BFAB O[C@@H](c1cc(F)ccc1F)C(F)(F)F 42268327 MOZNWZHJYBPPJZ-ZETCQYMHSA-N 212.117 2.561 0 40 BFAB Cc1ccc(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)cc1 44884031 FTSLGXCELCPDCE-ZNMIVQPWSA-N 243.350 2.842 0 40 BFAB Cc1cccc(CNC(=O)Nc2cccnc2)c1 45029926 NDOPYQLAPRLLGX-UHFFFAOYSA-N 241.294 2.712 0 40 BFAB CC(C)CSCC(=O)N[C@@H](C)c1ccco1 48367353 KARIMIRFBFSKHB-JTQLQIEISA-N 241.356 2.846 0 40 BFAB O=C(c1ccc(Cl)s1)N1CCSCC1 65515800 QUAOGBYODZHJRR-UHFFFAOYSA-N 247.772 2.591 0 40 BFAB NCCSCc1ccc(Cl)cc1F 72264312 DZKXRNFLGYCLRX-UHFFFAOYSA-N 219.712 2.671 0 40 BFAB CN[C@H](C)c1ccn(Cc2ccccc2)c1 78405854 QJJXIDJGZBAGIC-GFCCVEGCSA-N 214.312 2.817 0 40 BFAB CCOC[C@H](C)N[C@@H](C)[C@@H]1COc2ccccc21 90845661 OWDFZDKWYLCZHR-OBJOEFQTSA-N 249.354 2.566 0 40 BFAB CCNCc1ccc(C)c(C)c1OCC 95094895 LFLYSZXILHFCEV-UHFFFAOYSA-N 207.317 2.812 0 40 BFAB O=C(O)c1oc2ccccc2c1OC(F)F 96510813 FFUCACPKPKGWDV-UHFFFAOYSA-N 228.150 2.732 0 40 BFAB CSc1ccccc1CN[C@H](CO)C(C)C 97094664 SCLJQXPJGSRNSC-GFCCVEGCSA-N 239.384 2.515 0 40 BFAB c1csc(CN2CCCSCC2)c1 97113630 SZTVHMGVAIZCTK-UHFFFAOYSA-N 213.371 2.687 0 40 BFAB C[S@@](=N)(=O)c1ccc2ccccc2c1 118547187 XVBDOFCDVNRSGR-CQSZACIVSA-N 205.282 2.875 0 40 BFAB CCC(=O)c1ccc(C(F)(F)F)cn1 144074397 NBZCBNGJPMSYQV-UHFFFAOYSA-N 203.163 2.693 0 40 BFAB COC(=O)c1ccc2c(c1)C(C)(C)CCN2 199617860 QJUNRQREKZOVOG-UHFFFAOYSA-N 219.284 2.566 0 40 BFAB in-vitro O=C(NCC1=CCCCC1)C1CCCC1 225098088 QSGRQEULJNEVOO-UHFFFAOYSA-N 207.317 2.793 0 40 BFAB Cc1ccc(N2CCN[C@@H]3CCCC[C@@H]32)c(F)c1 225714296 ONFUVKOVDLNWCX-HIFRSBDPSA-N 248.345 2.855 0 40 BFAB COc1ccc(-c2ccccc2)cc1CC(=N)N 228968968 CIWDATCANQUODD-UHFFFAOYSA-N 240.306 2.841 0 40 BFAB CCCn1c(C(=O)O)cc2oc(C)cc21 409422700 JUJVMFBXAMXNRB-UHFFFAOYSA-N 207.229 2.651 0 40 BFAB CC(C)(C)OC(=O)N[C@@H]1CCC(=O)C(C)(C)C1 606303183 NFJUQNIPKVWOLD-SECBINFHSA-N 241.331 2.659 0 40 BFAB CSc1nccc(N2C[C@H]3CCCC[C@@H]3C2)n1 1889074281 UJTQMMKOZXJBIT-GHMZBOCLSA-N 249.383 2.825 0 40 BFAB CC(C)(O)C[C@](C)(O)c1ccc(Cl)cc1 303 SNJDSTGQYRTZJT-LBPRGKRZSA-N 228.719 2.709 0 40 BFAB in-man CC(C)[C@H]1CO[C@@]2(c3ccccc3)CCC(=O)N12 154905 USVVTHSUMLVZJC-UKRRQHHQSA-N 245.322 2.517 0 40 BFAB biogenic CCc1ccc(Oc2cc(C)nc(N)n2)cc1 353538 NSVUJDXSGNZKSL-UHFFFAOYSA-N 229.283 2.722 0 40 BFAB CCC(=O)Oc1ccc(C(=O)CC)cc1OC 360694 CSUAFTFXQJKOCS-UHFFFAOYSA-N 236.267 2.603 0 40 BFAB c1cc(N2CCCC2)cc(N2CCCC2)c1 1728154 AXDQOOKJHFIYLE-UHFFFAOYSA-N 216.328 2.887 0 40 BFAB C[C@H](NCc1ccccn1)c1ccccc1 4244922 XTKDSQFTLMREPE-LBPRGKRZSA-N 212.296 2.932 0 40 BFAB C[C@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](C)CC(C)(C)C1 5696801 HCNCEEAFXADKPJ-NNYUYHANSA-N 223.360 2.973 0 40 BFAB Cc1ccc(C)c(CSc2ncn[nH]2)c1 5737186 BRUWSDLZNZOPKH-UHFFFAOYSA-N 219.313 2.714 0 40 BFAB C=CCOc1c(Cl)cc(C(=O)O)cc1OC 7604076 UQHXERJCNGJEQC-UHFFFAOYSA-N 242.658 2.612 0 40 BFAB CNC(=S)SCCOc1ccc(C)cc1 8830038 IYIXFHMTQFXKNE-UHFFFAOYSA-N 241.381 2.611 0 40 BFAB O=C(O)CN1CCC[C@@H]1c1ccc(Cl)cc1 12397283 BHDWAQFNSFQHNI-LLVKDONJSA-N 239.702 2.562 0 40 BFAB COc1ccc(NC(=O)c2sccc2C)cn1 12484805 DVJRBENVECQQBY-UHFFFAOYSA-N 248.307 2.712 0 40 BFAB CC(C)C(=O)N[C@H]1CCSc2ccccc21 12936314 ZGLUZJBCPVGFND-NSHDSACASA-N 235.352 2.996 0 40 BFAB CCC(=O)Nc1nc2c(s1)C[C@H](C)CC2 21149728 KGVIWXNNQJUCQK-SSDOTTSWSA-N 224.329 2.616 0 40 BFAB C[C@@H]1CN(c2c(N)cccc2Cl)C[C@@H](C)O1 22141076 VEVCPFBEBOZXGK-RKDXNWHRSA-N 240.734 2.536 0 40 BFAB Cc1cc(C)c2c(n1)oc1c(S)ncnc12 32096895 AHMHSEGBVRFEIR-UHFFFAOYSA-N 231.280 2.677 0 40 BFAB O=C(c1ccncc1)N1CCC[C@H]2CCCC[C@@H]21 32819478 ZPNWDGQIKSHZCH-OCCSQVGLSA-N 244.338 2.876 0 40 BFAB COc1ccc(/C=C/CCCCO)cc1 33822628 MUUCJDHNOLIZSJ-GQCTYLIASA-N 206.285 2.871 0 40 BFAB Cc1csc(Oc2ccc(N)cc2F)n1 37064938 ZMSGACZGUQFNFT-UHFFFAOYSA-N 224.260 2.965 0 40 BFAB COC(=N)c1ccccc1C(F)(F)F 37928051 NDQVCCZQQZSRSO-UHFFFAOYSA-N 203.163 2.677 0 40 BFAB CC(=O)N1C(=S)SC[C@H]1c1ccccc1 38212993 JMFXRMBPKFNSGR-JTQLQIEISA-N 237.349 2.608 0 40 BFAB CC(C)NC(=O)CSc1ccc(Cl)cc1 40946989 GXLZGDPRZILIIS-UHFFFAOYSA-N 243.759 2.957 0 40 BFAB CCCCNc1ncnc2ccc(F)cc12 41470858 NLSKGZRMUQGMSS-UHFFFAOYSA-N 219.263 2.981 0 40 BFAB O=C(O)c1ccc(Cl)cc1N1CCCC1 42684482 FJPWBQCGTBCBMX-UHFFFAOYSA-N 225.675 2.638 0 40 BFAB CC(C)(C)c1ccc(-c2cnn(CCN)c2)cc1 49831477 AGZNDYGJDQUYSZ-UHFFFAOYSA-N 243.354 2.806 0 40 BFAB Nc1cccc(Cl)c1NC(=O)c1ccco1 50352336 OICDLKRAQCPITR-UHFFFAOYSA-N 236.658 2.768 0 40 BFAB CC(C)(C)OC(=O)CCc1ccc(N)cc1F 59861054 XMLAPVZZWVHGGX-UHFFFAOYSA-N 239.290 2.682 0 40 BFAB COc1ccccc1Nc1ccc(N)cc1N 66153307 FYQMOESVDKRGRT-UHFFFAOYSA-N 229.283 2.603 0 40 BFAB CCCN(CCC)c1cc(C)c(C(=O)O)cn1 72223282 BSSLCEHUSQVWQU-UHFFFAOYSA-N 236.315 2.715 0 40 BFAB CCCc1ccc2ncc(CO)cc2c1 72226648 DRLDNPKPQBFZDY-UHFFFAOYSA-N 201.269 2.680 0 40 BFAB CCc1nc([C@@H]2CCCN2CC=C(C)C)no1 72279335 IELPDQFMEYXAMC-NSHDSACASA-N 235.331 2.735 0 40 BFAB CCCCCNC(=O)N1CCC12CCC2 72312656 XZEVMTJMFLHGGM-UHFFFAOYSA-N 210.321 2.515 0 40 BFAB Cn1nccc1CC1CCN(C2CCCC2)CC1 72382316 RTLINIWNKCUEHH-UHFFFAOYSA-N 247.386 2.617 0 40 BFAB CCCn1ccc([C@@H](C)NCCCOC)c1 78406198 SGWJMONXSRVVNI-GFCCVEGCSA-N 224.348 2.585 0 40 BFAB Cc1ncc(C(=O)Nc2ccc(Cl)cc2)cn1 82324582 SFNXLPDGZYLMCJ-UHFFFAOYSA-N 247.685 2.691 0 40 BFAB Cc1cc(NC(=O)C2CC=CC2)ccc1C(=O)O 85159788 DYLBOCYSPKINHW-UHFFFAOYSA-N 245.278 2.598 0 40 BFAB CONC(=O)[C@H]1C[C@@H]1c1cccc2ccccc12 89420512 AIBSUEFOEGYDGK-KGLIPLIRSA-N 241.290 2.621 0 40 BFAB C[C@@H](CC(=O)N1CCCC1)c1cccc(F)c1 89894510 AZVBDKWJPVQAAQ-NSHDSACASA-N 235.302 2.942 0 40 BFAB c1ccc(N2CCC[C@@H](c3nccs3)C2)nc1 95994702 BGHNURZVSPHZHT-LLVKDONJSA-N 245.351 2.922 0 40 BFAB C[C@H]1CC[C@H]1COc1cccc(C=O)c1 96526403 IKELRPQMBWGXQG-JQWIXIFHSA-N 204.269 2.924 0 40 BFAB Cc1noc([C@H]2CCCN(CC3CCCC3)C2)n1 97153552 FKBCLJOTLSLGIY-ZDUSSCGKSA-N 249.358 2.748 0 40 BFAB O=C1CCCC[C@H]1C(=O)C(F)(F)C(F)(F)F 100115907 QYRFDYLUCRXGSL-RXMQYKEDSA-N 244.159 2.512 0 40 BFAB CC(C)n1[nH]c(-c2ccccc2)cc1=N 101901159 YUYZLKVQFWNIRL-UHFFFAOYSA-N 201.273 2.544 0 40 BFAB Fc1ccc(-c2n[nH]c3c2[C@H]2CC[C@H](C3)N2)cc1 110751191 MWOBHEQMFAEHSG-GHMZBOCLSA-N 243.285 2.565 0 40 BFAB Cc1cc(Br)c(O)cc1F 116178271 DXKMFZFNZFYYSM-UHFFFAOYSA-N 205.026 2.602 0 40 BFAB c1ncc([C@H]2CCCN2)nc1NC1CCCCC1 205698062 ZKSFEJAYJOTMMD-GFCCVEGCSA-N 246.358 2.646 0 40 BFAB CC(=O)OC(C)(C)C(=O)c1ccc(C)cc1 382675892 QGDHXMPOMKCCBF-UHFFFAOYSA-N 220.268 2.519 0 40 BFAB FC(F)(F)c1ccnc(Sc2ncco2)n1 390835287 JJQJBHUNKKBTFJ-UHFFFAOYSA-N 247.201 2.635 0 40 BFAB C=CC(=C)NC(=S)Nc1nc(C)c(C)s1 575420235 AYCXWTJGXAQUCY-UHFFFAOYSA-N 239.369 2.746 0 40 BFAB Cc1nc2c(Cl)cc(Cl)nc2[nH]1 575432132 ICLBDPZXMHYODT-UHFFFAOYSA-N 202.044 2.573 0 40 BFAB Cc1cc(C)c2c(=O)cc(C(F)F)oc2n1 1425790 BZBLZLFGWHDHKW-UHFFFAOYSA-N 225.194 2.742 0 40 BFAB CC(C)OC(=O)Nc1ccc(F)cc1F 1682758 IRPAVMSCKAYBHQ-UHFFFAOYSA-N 215.199 2.922 0 40 BFAB CCC[C@@H](C(=O)OCC)[C@H](C)OC(=O)OCC 1684888 TWARFOBPXLKSSL-VHSXEESVSA-N 246.303 2.527 0 40 BFAB CCOC(=O)[C@H](C(=O)Cc1ccccc1)C(C)C 2580724 GLMIDTBEENEUNW-AWEZNQCLSA-N 248.322 2.634 0 40 BFAB O=C(Nc1ccc2c(c1)CCC2)c1ccncc1 3609636 FMCHXHAVLMDQKM-UHFFFAOYSA-N 238.290 2.823 0 40 BFAB COc1cc2c(cc1C(C)C)[C@H](C(=O)O)C2 3848164 WYLGUOFKWBTYQN-LLVKDONJSA-N 220.268 2.543 0 40 BFAB biogenic Cc1cc(NC(=O)N[C@H](C)CCC(C)C)no1 8328419 BHQBWNFKHTVMEA-SECBINFHSA-N 239.319 2.929 0 40 BFAB C[C@@H]1CC[C@@H](C)N1c1ccccc1C(=O)O 8703799 XMFPLVXRBHLBQZ-NXEZZACHSA-N 219.284 2.762 0 40 BFAB CN1c2ccccc2C(=O)N[C@@H]1c1cccs1 8744617 HQJIQGAFQGREIW-LBPRGKRZSA-N 244.319 2.627 0 40 BFAB C[C@@H](Sc1ccccc1Cl)C(=O)O 11863847 IEIAJSOBRQNLOX-ZCFIWIBFSA-N 216.689 2.905 0 40 BFAB in-vitro Cc1cnc(C(=O)Nc2cccc(Cl)c2)cn1 13011907 YXSDZJGCKBDNFZ-UHFFFAOYSA-N 247.685 2.691 0 40 BFAB C[C@@H](CC(=O)O)Sc1ccc(F)cc1 16158499 QLYYIOYEODVXCF-ZETCQYMHSA-N 214.261 2.781 0 40 BFAB CCCC[S@@](=O)/C=C/[S@@](=O)CCCC 17023569 DCYLNFVUQBIIBX-BTUFVMOBSA-N 236.402 2.555 0 40 BFAB CCn1c2ccccc2c2ccc(N)nc21 20111634 IDQOWAKZCFHDSK-UHFFFAOYSA-N 211.268 2.792 0 40 BFAB biogenic CCC(=O)CC(=O)c1c(F)cccc1F 20375468 XOVUWMFDSSIMRU-UHFFFAOYSA-N 212.195 2.517 0 40 BFAB O=C1CC[C@]2(c3ccccc3)CCCC[C@H]2N1 22339830 XYFGEZKHSOPVRG-HIFRSBDPSA-N 229.323 2.777 0 40 BFAB COc1ccc([C@@H](O)c2ccc(C)o2)cc1OC 27835020 TXGWTFFFBMKXIQ-CQSZACIVSA-N 248.278 2.687 0 40 BFAB CCOc1ccc([C@H](C)NC(=O)NC2CC2)cc1 32860276 RQPGRJNEJCVHEO-JTQLQIEISA-N 248.326 2.608 0 40 BFAB O=C(CCc1ccccc1Cl)NCC1CC1 32909825 BTBMGMLDSSXUMN-UHFFFAOYSA-N 237.730 2.799 0 40 BFAB Cc1cccc(C)c1OCC(=O)c1cccn1C 34979128 UCBKXQDFDXEGPN-UHFFFAOYSA-N 243.306 2.904 0 40 BFAB C[C@@H]1CCCC[C@H]1NCCN1CCCCC1 41582426 LTYYIVCKEHVRHA-ZIAGYGMSSA-N 224.392 2.641 0 40 BFAB CC[C@@H]1CCCN(C(=O)CC(F)(F)F)C1 41881218 ZSKOGOLHDNEBSE-MRVPVSSYSA-N 223.238 2.587 0 40 BFAB CC[C@@H](C)[C@H](C)NCC1(O)CCCCC1 42555161 LMIRCVYVJBRIFY-NEPJUHHUSA-N 213.365 2.706 0 40 BFAB O=C(c1cccc(F)c1)[C@H]1CC[C@@H](C(=O)O)C1 43878973 DOKDVGNQZDVNNL-VHSXEESVSA-N 236.242 2.509 0 40 BFAB CC(C)C[C@H](C)N(C)Cc1nc(C2CC2)no1 45770123 XOOJOFULJRBKGM-JTQLQIEISA-N 237.347 2.813 0 40 BFAB Brc1nc(-c2ccccc2)ns1 47845005 ZRWWEJIHJFHGTH-UHFFFAOYSA-N 241.113 2.968 0 40 BFAB in-vitro CCc1cc(Cl)c(OC(C)=O)c(C(=O)O)c1 57339575 XDYBPIFPYYUMFU-UHFFFAOYSA-N 242.658 2.526 0 40 BFAB CCCNc1nc(CC)nc2c(C)nn(CC)c12 57355574 PFLANHANNFLDEX-UHFFFAOYSA-N 247.346 2.539 0 40 BFAB c1ccc(CN2CCCCC23CCNCC3)cc1 59099618 QKKQOABRVDBFKQ-UHFFFAOYSA-N 244.382 2.795 0 40 BFAB CCN(Cc1cccs1)C[C@H]1CCCO1 61785562 RQSXPDNENSRPKZ-LLVKDONJSA-N 225.357 2.749 0 40 BFAB Cc1cc(C)c(C(=O)N2CCCC2)cc1C 74951561 WFOLTIMSMSXYTA-UHFFFAOYSA-N 217.312 2.848 0 40 BFAB O=C(O)C1(Cc2ccccc2F)CCC1 83570102 PYPBQOSNIVQQRO-UHFFFAOYSA-N 208.232 2.623 0 40 BFAB CCc1nnc([C@@H](C)Sc2ccncc2)o1 83834266 HALTUNNXCZPQLF-MRVPVSSYSA-N 235.312 2.880 0 40 BFAB CC(C)(N)[C@H](CC(=O)O)c1ccc(Cl)cc1 85118196 MEIXRUWEWJUTFS-SNVBAGLBSA-N 241.718 2.636 0 40 BFAB Cc1nn(C(=O)OC(C)(C)C)c2ccncc12 89219992 HDNIJXKDCMMNPM-UHFFFAOYSA-N 233.271 2.523 0 40 BFAB CCS[C@@H]1CCCN(Cc2ccccc2)C1=O 89603056 JTYBYUPFYVVKIX-CYBMUJFWSA-N 249.379 2.931 0 40 BFAB c1ccc2c(c1)[C@@H]1CC[C@@H]2[n+]2ccccc21 104103843 UQYXIIIWPUYQCF-ZFWWWQNUSA-N 208.284 2.803 0 40 BFAB Nc1nsc2cc(C(F)(F)F)ccc12 225509524 DMDFAYWFNQVPEE-UHFFFAOYSA-N 218.203 2.897 0 40 BFAB Cc1ocnc1CN1CCC(C(F)(F)F)CC1 1889059860 FDEWKLNWDAIZAE-UHFFFAOYSA-N 248.248 2.757 0 40 BFAB Cc1cccc2c(CC(=O)O)cccc12 1601954 KNOFPQKQSVAMJB-UHFFFAOYSA-N 200.237 2.775 0 40 BFAB COc1cc(C)c(C(=O)O)cc1C(C)C 3847147 GXIQYXQBQCKIFL-UHFFFAOYSA-N 208.257 2.825 0 40 BFAB biogenic COc1cccc(-c2cccc(CO)c2)c1 4204279 VDOZSWUWUDITOJ-UHFFFAOYSA-N 214.264 2.855 0 40 BFAB CC(C)[C@@H]1O[C@@H](C(C)C)O[C@H]2OCCC[C@H]12 4428906 UJXBOBIXMAERGY-YVECIDJPSA-N 228.332 2.793 0 40 BFAB C[C@@H](OCc1ccc(F)cc1)n1ccnc1 4631793 CQUFGKPTGWLZKG-SNVBAGLBSA-N 220.247 2.758 0 40 BFAB CCn1/c(=C/C=O)c2cccc3cccc1c32 5333783 LNTDQDSDDBNDKG-UKTHLTGXSA-N 223.275 2.513 0 40 BFAB CCOP1OCCN1c1ccccc1 5718392 LQCOPGVXRYXGKL-UHFFFAOYSA-N 211.201 2.787 0 40 BFAB C[C@H](Cc1nnc(S)o1)c1ccccc1 5869064 NYRWGKXSCPJOSZ-MRVPVSSYSA-N 220.297 2.705 0 40 BFAB in-vitro O=c1[nH]c(-c2ccc(F)cc2)nc2ccccc12 11617361 IXMXCFSRQIHRHB-UHFFFAOYSA-N 240.237 2.729 0 40 BFAB C[C@H]1CCCCN1[C@@H](C(=O)O)c1ccccc1 11800860 PIIALDQBBNGPDU-WCQYABFASA-N 233.311 2.687 0 40 BFAB COc1ccc(C)cc1[C@H](C)NC(=O)C(C)C 12847221 SOCLSIAMGUPGKZ-NSHDSACASA-N 235.327 2.837 0 40 BFAB Clc1ccc(Cl)c(O[C@@H]2CCNC2)c1 14632105 OUXHUSFDHKWOIX-MRVPVSSYSA-N 232.110 2.734 0 40 BFAB Clc1cccc2sc(-n3cncn3)nc12 14984366 FNYOCKMJSSLGOB-UHFFFAOYSA-N 236.687 2.530 0 40 BFAB O=C1Nc2ccc(-c3ccc(F)cc3)cc2C1=O 16946235 XUAOZHWNIXCDHJ-UHFFFAOYSA-N 241.221 2.628 0 40 BFAB CCCCN1C(=O)c2ccccc2[C@@H]1OC 20058129 QRSFCYOSRUYIPJ-ZDUSSCGKSA-N 219.284 2.588 0 40 BFAB CCCNC(=O)[C@@H](C)Nc1cc(C)ccc1C 20312137 MHKRNKBBORPNEE-GFCCVEGCSA-N 234.343 2.630 0 40 BFAB O[C@H](CNCc1ccsc1)c1ccccc1 22076640 IQAQEIUNTHOGDR-CYBMUJFWSA-N 233.336 2.571 0 40 BFAB CC(C)N(CCN)Cc1cccc(Cl)c1 32015302 HTHYNQZBLFIKAU-UHFFFAOYSA-N 226.751 2.509 0 40 BFAB CCONC(=O)c1ccc(-c2ccccc2F)o1 32848327 QKDUAGMAJXDDGW-UHFFFAOYSA-N 249.241 2.767 0 40 BFAB Cc1cnn(-c2ccc(Br)cc2)c1 37676728 SFYPWVBEUPHLBJ-UHFFFAOYSA-N 237.100 2.943 0 40 BFAB CCc1cccnc1NC(=O)OC(C)(C)C 38272126 IQRKFAYMMZQJCK-UHFFFAOYSA-N 222.288 2.991 0 40 BFAB in-vitro Cc1cc(CC2OCCO2)ccc1Cl 43214475 CFDRDURFLWRQQS-UHFFFAOYSA-N 212.676 2.564 0 40 BFAB c1cncc(-c2ncc(-c3ccn[nH]3)s2)c1 43798945 UTVBEBUKJQEPHD-UHFFFAOYSA-N 228.280 2.595 0 40 BFAB Nc1ncc(Br)c2sccc12 44699840 AOTUEPQDFQFGNM-UHFFFAOYSA-N 229.102 2.641 0 40 BFAB C[C@@](O)(COc1ccccc1)c1ccccc1 52097955 DBTYGVNCEVECQD-OAHLLOKOSA-N 228.291 2.973 0 40 BFAB CC(=O)c1nc2ccccc2n1C(C)C 53944090 QBLFMKVOOXKPGD-UHFFFAOYSA-N 202.257 2.820 0 40 BFAB CCSc1nnc(-c2ccco2)n1CC 57500399 RSTJBTPLWAYEGD-UHFFFAOYSA-N 223.301 2.670 0 40 BFAB CC[C@@H](C)N(C)C(=O)Nc1ccccc1 59334706 UZSKSZPRIDEHRT-SNVBAGLBSA-N 206.289 2.949 0 40 BFAB N[C@H](CCC(=O)O)Cc1cccc2ccccc12 61893398 VYLSATSPQDKEPW-CYBMUJFWSA-N 243.306 2.574 0 40 BFAB C[C@H](O)[C@@H](C)c1ccc2ccccc2n1 63039744 LLDUNGXDOXONAX-ZJUUUORDSA-N 201.269 2.719 0 40 BFAB in-vitro CNCCCc1ccccc1C(F)(F)F 70453352 WMPARHAXQOCYFB-UHFFFAOYSA-N 217.234 2.857 0 40 BFAB O=Cc1ccc(Br)c2ncccc12 72206543 NIOXYAINOJNOLA-UHFFFAOYSA-N 236.068 2.810 0 40 BFAB Cc1cccc(-c2cc[nH]c2C(=O)O)c1 74212637 LOQYQTZCDZVLLI-UHFFFAOYSA-N 201.225 2.688 0 40 BFAB COc1ccc(C(=O)O)cc1-c1csc(C)n1 85390090 JSPGMZDKTIXFEG-UHFFFAOYSA-N 249.291 2.825 0 40 BFAB c1cncc(CN2CC[C@@H]3CCCC[C@@H]32)c1 89794007 KCNXZXBGQRGTIM-KBPBESRZSA-N 216.328 2.846 0 40 BFAB C[C@H](OC[C@H]1CO1)c1ccccc1Cl 95096297 VXMLTYLWVSYVCV-IUCAKERBSA-N 212.676 2.816 0 40 BFAB CCOC(=O)[C@@](C)(F)C1CCCCC1 95611808 UZOSGUJZXWTBGO-NSHDSACASA-N 202.269 2.858 0 40 BFAB CC[C@@H](O)CN[C@H](C)c1ccc(F)c(Cl)c1 96491146 YMDSVEBRNMJBOT-PSASIEDQSA-N 245.725 2.901 0 40 BFAB NC(=O)c1ccccc1-c1cccc(F)c1 96675799 FYNUJNYNUVOPQU-UHFFFAOYSA-N 215.227 2.592 0 40 BFAB CN(C)C(=O)C12CCC3C[C@@H](C[C@H](C3)C1)C2 102583965 PRXBSYPABVQDAW-ATJQQHLPSA-N 221.344 2.681 0 40 BFAB N=C(N)SCc1ccc2ccccc2c1 151926098 PWWONVDCBPSKCY-UHFFFAOYSA-N 216.309 2.966 0 40 BFAB CCCC[C@H]1C[C@H](O)CN1CCC(C)C 217881134 NFJLULSBDNGYRL-STQMWFEESA-N 213.365 2.658 0 40 BFAB CC1=CCC[C@H](C)[C@@H]1CN1CC[C@@H]([C@H](C)O)C1 249085823 MPDKATDRFAEOKI-BYNSBNAKSA-N 237.387 2.682 0 40 BFAB CCn1cnc2c(Nc3ccccc3)ncnc21 356954460 CRVJJAFUVQRCHL-UHFFFAOYSA-N 239.282 2.590 0 40 BFAB Oc1cncc2c(C(F)(F)F)cccc12 1857790650 YQBRYAGMNCOGDG-UHFFFAOYSA-N 213.158 2.959 0 40 BFAB c1coc(CNc2ncnc3ccccc23)c1 76898 DUNCYLVJORGPHP-UHFFFAOYSA-N 225.251 2.835 0 40 BFAB in-vitro COc1cccc(-c2nc3cc(N)ccc3[nH]2)c1 794577 IPXCPDJYLDSTGM-UHFFFAOYSA-N 239.278 2.821 0 40 BFAB NCC[C@@H]1CCc2[nH]c3ccccc3c2C1 1722154 DNYCHVWBLYAONW-JTQLQIEISA-N 214.312 2.622 0 40 BFAB c1ccc2[nH]c([C@@H]3CCCCN3)cc2c1 3734634 BNKHEDZUOBHGMW-LBPRGKRZSA-N 200.285 2.983 0 40 BFAB in-vitro CC1(C)C/C(=C\C(N)=O)c2ccccc2C1 5614245 DDRCJMRZOFQSKU-YRNVUSSQSA-N 215.296 2.528 0 40 BFAB O=S1(=O)[C@@H]2C=CC[C@H]1[C@@H](c1ccccc1)CC2 5722026 CITXMVBBXASIOV-MCIONIFRSA-N 248.347 2.676 0 40 BFAB Cc1ccn2c(-c3n[nH]c(=S)o3)c(C)nc2c1 6401932 HZZZVJWKBLUACH-UHFFFAOYSA-N 246.295 2.664 0 40 BFAB Cc1cccnc1NC(=O)c1cccnc1Cl 13208421 IKDDQHMKLHBNNO-UHFFFAOYSA-N 247.685 2.691 0 40 BFAB O=C(O)Cc1cnc(-c2ccccc2F)s1 13691652 QHXSCEXPCSSGSH-UHFFFAOYSA-N 237.255 2.576 0 40 BFAB Cc1ccc(NC(=S)NC2CCCC2)nc1 13837588 DOLCRUJQADCINH-UHFFFAOYSA-N 235.356 2.619 0 40 BFAB CC1CCN(Cc2cn3ccccc3n2)CC1 14193587 MVUBUPQUHXXIPR-UHFFFAOYSA-N 229.327 2.566 0 40 BFAB C[C@@H](CC(=O)O)c1nc2ccccc2s1 16778413 MTDQYRDUELTPBX-ZETCQYMHSA-N 221.281 2.875 0 40 BFAB C[C@H]1CCCC[C@@H]1NC(=O)c1cccc(N)c1 19259905 FMYFNURJMSQINX-GWCFXTLKSA-N 232.327 2.577 0 40 BFAB Cc1cc(C(=O)O)ccc1NC(=O)C(C)(C)C 20136874 ADDKKSKQHPGUFC-UHFFFAOYSA-N 235.283 2.678 0 40 BFAB Cc1cc(C(=O)N2CCC[C@H](C)C2)c(C)o1 28225693 HFVYRKBWJGEEKK-VIFPVBQESA-N 221.300 2.769 0 40 BFAB O=C(c1csc2c1CCCC2)N1CCCC1 32667740 UCIDWVAKVKFAKP-UHFFFAOYSA-N 235.352 2.863 0 40 BFAB Cc1cc(N[C@H](C)c2cccnc2)nc(C)n1 37498778 FYZWNHHJAMRWNJ-SNVBAGLBSA-N 228.299 2.662 0 40 BFAB CSCC(=O)Nc1ccc(Cl)cc1 42484251 ZIQJMXFJNBMHNO-UHFFFAOYSA-N 215.705 2.642 0 40 BFAB CC(C)NC(=O)Nc1nc2c(s1)CCCC2 44451603 PBACNBABVBXVKV-UHFFFAOYSA-N 239.344 2.552 0 40 BFAB CCO[C@@H](CNC)c1ccccc1Cl 50481974 UJCAJPLATVIQQQ-NSHDSACASA-N 213.708 2.637 0 40 BFAB CC[C@H](NC(=O)C[C@@H]1C=CCC1)C(C)C 57410528 DVAFCOULTQUJSB-NEPJUHHUSA-N 209.333 2.894 0 40 BFAB Nc1nnc(SCCc2cccs2)s1 60333899 XZZLSFKHQDHCOU-UHFFFAOYSA-N 243.382 2.517 0 40 BFAB C[C@@H]1C[C@@H]1C(=O)NCc1ccc(F)c(Cl)c1 71853716 LCSKOWQGWZJIGA-APPZFPTMSA-N 241.693 2.751 0 40 BFAB CCCN1CCC[C@@H]1c1cccnc1C 72211292 CYSRRVDEYHKIEM-CYBMUJFWSA-N 204.317 2.937 0 40 BFAB CCOc1ccccc1Nc1nc(C)cc(N)n1 75156675 YPJCKPOIWYWPRX-UHFFFAOYSA-N 244.298 2.510 0 40 BFAB O=C(O)c1cc(F)c(OCC2CCC2)c(F)c1 83351144 GMMQSBUSMMWBSS-UHFFFAOYSA-N 242.221 2.842 0 40 BFAB CC(=O)c1ccc(OCc2ccc(C=O)o2)cc1 85395355 PMBRMJVQBVNAQD-UHFFFAOYSA-N 244.246 2.874 0 40 BFAB Fc1cccc(C(F)(F)F)c1N1CCOCC1 95081258 OFDAGSXRWQKQSR-UHFFFAOYSA-N 249.207 2.681 0 40 BFAB Cc1cccc(NCc2ncc[nH]2)c1Cl 95981705 IRSBFFLMXBXKAL-UHFFFAOYSA-N 221.691 2.984 0 40 BFAB CCC(CC)(CC)NC(=O)Nc1cnn(C)c1 96433851 IRBDWXOZFOZQMZ-UHFFFAOYSA-N 238.335 2.510 0 40 BFAB C[C@@H](NC(=O)c1ccnc(F)c1F)C(C)(C)C 97867036 PBBATDZEGATSFY-SSDOTTSWSA-N 242.269 2.524 0 40 BFAB CC(C)COc1ccc2c(c1)C(=O)CC2 102176421 CUPNOEVWWBNYIE-UHFFFAOYSA-N 204.269 2.850 0 40 BFAB CC(C)CCNc1cnn(CC(F)F)c1 190718429 LEGKIQWHULWHRK-UHFFFAOYSA-N 217.263 2.606 0 40 BFAB CCOCSc1nc2ccccc2o1 195562303 NCWRXLVCZNKIMT-UHFFFAOYSA-N 209.270 2.914 0 40 BFAB CC[C@@H](C(=O)O)N(C)c1cc(C)ccc1C 224982780 GORKYZRATYKBJE-NSHDSACASA-N 221.300 2.603 0 40 BFAB CC(=O)Nc1cc(N)ccc1N1CCCC[C@@H]1C 226253391 KAIIXAZDGFQJBJ-JTQLQIEISA-N 247.342 2.606 0 40 BFAB O=S(=O)(O)c1cccc2scc(Cl)c12 228935859 VVBYLTRQJWCNCC-UHFFFAOYSA-N 248.712 2.801 0 40 BFAB C[C@@H](Cc1cc2ccccc2o1)NC(=O)C1CC1 253471867 GGQZSIIIBDZHCJ-JTQLQIEISA-N 243.306 2.890 0 40 BFAB CC(C)(C)c1c[nH]c2ncnc(Cl)c12 257197777 IXKTXKXPSOHUIX-UHFFFAOYSA-N 209.680 2.909 0 40 BFAB CCCn1cc(Br)c(COCC)n1 408717268 XULDGZVCPOMGJO-UHFFFAOYSA-N 247.136 2.592 0 40 BFAB FC1(F)C2(CCC2)C12C[C@@H]1CC[C@H](C2)N1 409436573 KBVMNMHMEFJBKC-SLHIUPAKSA-N 213.271 2.706 0 40 BFAB COC(=O)C[C@@H]1COc2c1ccc1ccccc21 585656335 DHSNIEOMMPTXPO-LLVKDONJSA-N 242.274 2.879 0 40 BFAB CC[C@@H]1Cc2c(O)ccc(Br)c2O1 616567671 NYHFPPLRTOEBKP-ZCFIWIBFSA-N 243.100 2.868 0 40 BFAB Cc1cc(NC(=O)c2ccccc2)ccc1O 77843 WFOWSHGYNMJYTI-UHFFFAOYSA-N 227.263 2.953 0 40 BFAB CN1c2ccccc2N(C)C1c1ccc(O)cc1 266382 VGALPIMTLSXPJH-UHFFFAOYSA-N 240.306 2.977 0 40 BFAB O=C(c1ccc(Cl)nc1)c1ccco1 2392761 WDQAGVRTKLSCKJ-UHFFFAOYSA-N 207.616 2.559 0 40 BFAB O=C(Nc1cccc(Cl)c1)n1cccn1 5671199 CHKXZJYLVMWLBX-UHFFFAOYSA-N 221.647 2.617 0 40 BFAB CCCCCNC(=O)Cc1ccc(C)cc1 6050947 PEIPLHYWNBSQHV-UHFFFAOYSA-N 219.328 2.844 0 40 BFAB COc1cccc(-c2cn3nc(C)sc3n2)c1 7994981 CWZLFVGXKMECNW-UHFFFAOYSA-N 245.307 2.775 0 40 BFAB CCCn1c(C(=O)O)cc2ccccc21 9372400 NEVFETBXTISVKK-UHFFFAOYSA-N 203.241 2.750 0 40 BFAB in-vitro C[C@@H]1C[C@@H]1c1ccc(/C=C2\SC(=O)NC2=O)o1 9869940 FSWLCORFLUTWKN-ORRWNSOMSA-N 249.291 2.727 0 40 BFAB Cc1ccc(NC(=O)C[C@H]2C=CCC2)nc1 12523296 ONWXHTNHICWLAR-NSHDSACASA-N 216.284 2.685 0 40 BFAB C[C@@H]1CCCCN1C[C@@H](CO)c1ccccc1 12650197 UIKUEKDWMHIBRL-HIFRSBDPSA-N 233.355 2.637 0 40 BFAB CC(C)CC[C@@H](C)NC(=O)c1ccncc1 12972724 OPWBEUKDHLLDNE-LLVKDONJSA-N 220.316 2.636 0 40 BFAB O=C(Nc1cccc2ncccc12)c1ccccn1 15980001 GRMMOJZVZWMCNF-UHFFFAOYSA-N 249.273 2.882 0 40 BFAB CC(C)C[C@@H](C)NN[C@H](C)CC(C)C 19167518 QJWWTYXKKAKIRM-VXGBXAGGSA-N 200.370 2.950 0 40 BFAB CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)c2ccccc21 20357622 REHNRWSWBXHXSB-NWDGAFQWSA-N 249.310 2.690 0 40 BFAB O=C(c1ccncc1)N1CCC[C@@H]2CCCC[C@H]21 32819479 ZPNWDGQIKSHZCH-GXTWGEPZSA-N 244.338 2.876 0 40 BFAB CC(=O)N(Cc1ccco1)c1ccccc1 32837019 HHYNEHZUEXAJOV-UHFFFAOYSA-N 215.252 2.833 0 40 BFAB O=C(CCc1cccs1)N1CCCCC1 36140413 MWDLAGDHXYXOND-UHFFFAOYSA-N 223.341 2.693 0 40 BFAB O[C@H]1CCCC[C@@H]1Oc1ccc(F)cc1F 37696132 MYJIDMDCPYJRAE-JQWIXIFHSA-N 228.238 2.647 0 40 BFAB COc1cc(NC(=O)C2CC2)c2ncccc2c1 38490495 JYFAWPJBDXZQCZ-UHFFFAOYSA-N 242.278 2.592 0 40 BFAB O=C1NCCCC[C@@H]1Sc1ccccc1F 40050608 NGERTLNCMJOFRJ-NSHDSACASA-N 239.315 2.587 0 40 BFAB CC[C@H](C)c1ccc(OC2CNC2)cc1 42770006 ONVURXYSERTJTJ-JTQLQIEISA-N 205.301 2.551 0 40 BFAB COCC(=O)c1cccc(C(C)(C)C)c1 43504712 CPAHVBMBXFFWOT-UHFFFAOYSA-N 206.285 2.813 0 40 BFAB O=C(O)CCCCCCCCCCCNO 45068431 FUHIUBGXWYTEOS-UHFFFAOYSA-N 231.336 2.951 0 40 BFAB CCc1[nH]c2ccc(F)cc2c(=O)c1C 45806128 BGSLIJUPBSKQIP-UHFFFAOYSA-N 205.232 2.538 0 40 BFAB C[C@@H](NC(=O)N1Cc2ccccc2C1)C1CC1 69700348 XHRBNELRKWTNTG-SNVBAGLBSA-N 230.311 2.510 0 40 BFAB CC(C)(C)CNC(=O)c1cccc(F)c1 75909883 NEPKCLIOZJEONZ-UHFFFAOYSA-N 209.264 2.602 0 40 BFAB O=C1CCCc2cc(Br)oc21 82370641 YZPFPYIXWCDMMZ-UHFFFAOYSA-N 215.046 2.561 0 40 BFAB CCN(Cc1ccccn1)Cc1nc(C)c(C)o1 89969322 UCSNXGKDBBQDPJ-UHFFFAOYSA-N 245.326 2.709 0 40 BFAB Cc1ccsc1[C@H](C)N[C@H]1CCC[C@@H]1CO 96478436 BKJOMYKQWQREKQ-TUAOUCFPSA-N 239.384 2.868 0 40 BFAB CCC[C@@H](N)CN(CCC)Cc1ccco1 96523980 BEBLHJROPMQYPF-GFCCVEGCSA-N 224.348 2.619 0 40 BFAB CC(C)CN(CC(F)(F)F)C(=O)c1ccoc1 97324562 UYKFNYMCCXBQMF-UHFFFAOYSA-N 249.232 2.940 0 40 BFAB COCOCc1ccccc1C(F)(F)F 98174963 LNXNQMIRQZUCJH-UHFFFAOYSA-N 220.190 2.826 0 40 BFAB COc1c(C)cc(CC(=O)O)cc1C(F)(F)F 98210812 YKIGRQUJZSKTLN-UHFFFAOYSA-N 248.200 2.650 0 40 BFAB O[C@@H](c1ccccc1)[C@@H]1C[C@H]2C=C[C@H]1C2 102933998 DJEJUNPYGYWALI-DEQVHRJGSA-N 200.281 2.932 0 40 BFAB FC(F)(F)c1ccccc1[C@]12CNC[C@@H]1C2 146093451 ZNYIEGHDMZPTGT-GZMMTYOYSA-N 227.229 2.566 0 40 BFAB CCCN(c1ccc(C)cc1)[C@@H](C)C(=O)O 224981510 FBJFPRUENYPJMH-NSHDSACASA-N 221.300 2.685 0 40 BFAB COc1ccc2[nH]c(C(F)F)c(C)c(=O)c2c1 685938203 LRBVTXCORZWHGY-UHFFFAOYSA-N 239.221 2.783 0 40 BFAB FC1(F)[C@@H](C2CC2)C12C[C@@H]1CC[C@H](C2)N1 719047639 LKMSTHYMPPIPTB-JDUUOCRZSA-N 213.271 2.562 0 40 BFAB CC1=CCC[C@@H](C)C(=O)CC2=C(C)C(=O)O[C@@H]2C1 1772591990 VILHAYBRKKWZBQ-QMTHXVAHSA-N 248.322 2.954 0 40 BFAB CCOC(=O)COc1ccc(Cl)c(C)c1 63332 WPUJVPOAINZFOV-UHFFFAOYSA-N 228.675 2.590 0 40 BFAB CCSc1nc2ccccc2c(=O)n1CC 292430 ZKPZWLZNXSQJES-UHFFFAOYSA-N 234.324 2.528 0 40 BFAB CCOC(=O)c1ccc(NC(=O)CC(C)C)cc1 362182 URGNBLMRBCSGMU-UHFFFAOYSA-N 249.310 2.848 0 40 BFAB CCCCCC[C@@](C)(OC(C)=O)C(C)=O 1661227 YNLFQNOWAAUHIE-GFCCVEGCSA-N 214.305 2.868 0 40 BFAB CC(C)(CCC(=O)O)c1ccc(O)cc1 1671140 YNFVQZNJUUEZQP-UHFFFAOYSA-N 208.257 2.535 0 40 BFAB C[C@H]1CCCC[C@]1(O)[C@H](C(=O)O)c1ccccc1 1734002 LSEQDEFEFOPADI-CORIIIEPSA-N 248.322 2.796 0 40 BFAB CCOC(=O)CCC(=O)c1cc(C)cc(C)c1 2378890 YRMNAZDTNBMZSG-UHFFFAOYSA-N 234.295 2.829 0 40 BFAB Cc1ccc([C@@H]2NC(=O)c3ccccc3N2)s1 3225055 SMZMLCNTHXBCBB-LBPRGKRZSA-N 244.319 2.911 0 40 BFAB O=C1CCN(Cc2ccccc2)[C@H]2CCC[C@@H]12 4343196 DNNHYPIBLFCZEZ-KGLIPLIRSA-N 229.323 2.630 0 40 BFAB in-vitro C[C@H](NC(=O)c1ccco1)c1ccc(F)cc1 7304181 XULPCVZNQOJWGU-VIFPVBQESA-N 233.242 2.910 0 40 BFAB CCC[C@@H](C)C(=O)Nc1ccc(OC)cc1N 8703572 RZPWJHCKVIQWHK-SECBINFHSA-N 236.315 2.652 0 40 BFAB CCC[C@]12CCC(=O)N1c1ccccc1O2 9937013 YJBPKYCKLSNZKJ-ZDUSSCGKSA-N 217.268 2.702 0 40 BFAB Cc1ccc(CN2CCC(CCN)CC2)cc1 15423969 MEGUKILBMYBGJU-UHFFFAOYSA-N 232.371 2.556 0 40 BFAB CC(C)[C@H]1C[C@H](C)CC[C@@H]1O[C@H]1C=CC(=O)O1 17111917 CLAZQKKQQKBAAC-NRWUCQMLSA-N 238.327 2.903 0 40 BFAB CCCCNC(=O)[C@@H](C)Oc1cccc(C)c1C 20046505 AOSVKXBOVJJWLC-CYBMUJFWSA-N 249.354 2.987 0 40 BFAB Cc1cccc(C(=O)N[C@@H]2CCCC[C@@H]2C)n1 24449524 TXRSGYURZUTBES-CMPLNLGQSA-N 232.327 2.699 0 40 BFAB CC(C)(C)OC(=O)N1CCCC[C@@H]1CCCN 26896346 DEVQNGIGYDAQMD-LLVKDONJSA-N 242.363 2.515 0 40 BFAB in-vitro C[C@@H]1C[C@@H](C)CN(C(=O)c2cc(Cl)c[nH]2)C1 30860477 CKRDLUVISVXYJK-RKDXNWHRSA-N 240.734 2.786 0 40 BFAB CN(Cc1occc1C(=O)O)c1ccccc1 35432925 MVHSBIVGYZLXDO-UHFFFAOYSA-N 231.251 2.614 0 40 BFAB CC(=O)N1CCC(c2nc3ccccc3o2)CC1 36623787 IEYFBALZDGJATC-UHFFFAOYSA-N 244.294 2.554 0 40 BFAB Cc1ccsc1-c1ncc(C=O)s1 40996498 BKUIXJQAQGFQOV-UHFFFAOYSA-N 209.295 2.993 0 40 BFAB CC(C)(C)c1ccc(OC2CNC2)c(Cl)c1 42769654 KFWDUCNCLGTZAC-UHFFFAOYSA-N 239.746 2.988 0 40 BFAB Cc1cccc([C@H](O)C(F)(F)F)c1C 43368016 WDPGLVQJRLKLEE-VIFPVBQESA-N 204.191 2.899 0 40 BFAB CSc1nc(Cl)cc(C(F)F)n1 44831878 IHRHHFIDUYHBOD-UHFFFAOYSA-N 210.636 2.790 0 40 BFAB in-vitro Cc1cccnc1C(=O)c1ccccc1F 45028661 AXLWBDZSKXZBQM-UHFFFAOYSA-N 215.227 2.760 0 40 BFAB Cc1ccncc1C(=O)c1cc(F)cc(F)c1 45029029 KYEFRHOYPYOVNS-UHFFFAOYSA-N 233.217 2.899 0 40 BFAB CC(C)NC(=O)c1cnc(-c2ccccc2)s1 46768302 MAELAINUZRBVPG-UHFFFAOYSA-N 246.335 2.948 0 40 BFAB COCCCN1CCC[C@H]1c1cccs1 51230654 JOLRCWGZWUSXPX-NSHDSACASA-N 225.357 2.922 0 40 BFAB CC(C)[C@H](C)NC(=O)/C=C/c1ccc(F)cc1 66968213 UUBSAGIDJGOSMC-LAHYYIKRSA-N 235.302 3.000 0 40 BFAB CCOC(=O)c1cc(C)c(Cl)s1 69476365 XZTXAKUKHNXJQJ-UHFFFAOYSA-N 204.678 2.887 0 40 BFAB CC(C)=CC(=O)N[C@H]1CCCOc2ccccc21 69633213 LEXCLUJLAUPFDA-ZDUSSCGKSA-N 245.322 2.983 0 40 BFAB CCC(=O)c1cnc(N2CCCCC2)cc1C 72223495 GDJMNJGVPSGJCF-UHFFFAOYSA-N 232.327 2.973 0 40 BFAB COC(=O)C1(Cc2ccccc2)CCCC1 77028401 YUUPPVGXEZCSJC-UHFFFAOYSA-N 218.296 2.963 0 40 BFAB CCC[C@@H](C)c1cc(NC(=O)C2CC2)[nH]n1 78942435 AFDSKKMDIFNFGN-MRVPVSSYSA-N 221.304 2.662 0 40 BFAB Cc1c(CO)noc1-c1ccc(Cl)cc1 87547570 QFDZDQMOFLXDMJ-UHFFFAOYSA-N 223.659 2.796 0 40 BFAB OCc1ccc(F)cc1OCc1ccccc1 90727944 YTGCFHNGHJMIER-UHFFFAOYSA-N 232.254 2.897 0 40 BFAB Nc1cc2c(C(F)(F)F)cccc2cn1 91692355 RPQYKUCAEHUBBL-UHFFFAOYSA-N 212.174 2.836 0 40 BFAB CC[C@@H](c1ccncc1)N(C)CCCF 92224037 NPNDQELOWITZGP-LBPRGKRZSA-N 210.296 2.824 0 40 BFAB FC(F)(F)CCCCNCc1ccccn1 95434269 AYARAEDRIFLHAB-UHFFFAOYSA-N 232.249 2.904 0 40 BFAB Fc1cccc(-n2ncc3cnc(Cl)cc32)n1 98181733 MLPYVNPNOBYVSV-UHFFFAOYSA-N 248.648 2.608 0 40 BFAB CC(=O)NC12CC3C[C@H]4C5CC(C[C@@H]41)C[C@@H]2[C@H]5C3 102673346 XADNPTMHMQGTJZ-DRFNTKEGSA-N 245.366 2.583 0 40 BFAB FC(F)(F)SC1=NC(=S)CC=C1 103629330 ZDTCLZGRYMVTRA-UHFFFAOYSA-N 211.233 2.925 0 40 BFAB O=C(O)c1ccc([C@@H](F)C(F)(F)F)cc1 107267395 OJLVEFOHMZIUPI-SSDOTTSWSA-N 222.137 2.958 0 40 BFAB CCN(c1ccc(Cl)cc1C)[C@@H](C)C(=O)O 224991885 WHPBDWIAXHNMQJ-VIFPVBQESA-N 241.718 2.948 0 40 BFAB CCCCc1ccc(C(=O)COC(C)=O)cc1 575357821 UECNNWJMVZCWLW-UHFFFAOYSA-N 234.295 2.775 0 40 BFAB Cc1ccc([C@H]2C[C@H]2c2cc(N)n(C)n2)cc1 575422610 ICQQLVIYIQXXPZ-VXGBXAGGSA-N 227.311 2.582 0 40 BFAB CC(C)(C)c1cc(Br)ncc1N 675081330 ACFDECLHPAIFRW-UHFFFAOYSA-N 229.121 2.724 0 40 BFAB COc1cccc2nc(C3CC3)cc(CO)c12 685937637 VPNLUOJPLUAJPG-UHFFFAOYSA-N 229.279 2.613 0 40 BFAB Cc1cc(C)nc(SCC2CCOCC2)n1 1889070558 UDTLFYPMILKSQR-UHFFFAOYSA-N 238.356 2.612 0 40 BFAB O=S(=O)(c1ccc(Cl)cc1)C(F)(F)F 86346 PVPZMAOFUOXVHI-UHFFFAOYSA-N 244.621 2.634 0 40 BFAB Cc1nc(Cl)c(C(=O)N(C)C)c(C)c1Cl 88655 ZUEBTRIGEZMZEF-UHFFFAOYSA-N 247.125 2.707 0 40 BFAB CCNC(=S)N1CCCC[C@@H]1c1cccnc1 240140 QEMLEJSHYKWWAX-GFCCVEGCSA-N 249.383 2.503 0 40 BFAB biogenic CCC(CC)COC(=O)c1cccnc1 1596747 WQGPLHPBOSYRQL-UHFFFAOYSA-N 207.273 2.675 0 40 BFAB COc1ccc(-c2cccc(N)c2)c(OC)c1 2528999 XLSYCLUSWLUGGZ-UHFFFAOYSA-N 229.279 2.953 0 40 BFAB CC[C@H]1CN=C(Nc2cccc(OC)c2)S1 3228236 NVQONLPKBDCYGW-NSHDSACASA-N 236.340 2.989 0 40 BFAB C[C@H]1O[C@@H](C)[C@H](C)[C@@H](c2ccccc2O)O1 4023711 OSYQUVFLQIPNCW-YVNDNENWSA-N 222.284 2.851 0 40 BFAB c1ccc(-c2nnc(CN3CCCCC3)o2)cc1 5031847 CNAFGVZRDMPLSD-UHFFFAOYSA-N 243.310 2.723 0 40 BFAB CCCc1c(C)nc(-c2ccccc2)[nH]c1=O 5919301 DZHCWTOAXZGSCK-UHFFFAOYSA-N 228.295 2.698 0 40 BFAB CCCNC(=O)[C@@H](C)Oc1cc(C)cc(C)c1 8493235 MIQQWQKFIINOIS-GFCCVEGCSA-N 235.327 2.597 0 40 BFAB O=C(Nc1ccncc1)c1cc(F)ccc1F 9379372 BIFODCHDEVOHTI-UHFFFAOYSA-N 234.205 2.612 0 40 BFAB CC1CCN(c2nc(Cl)c(C=O)s2)CC1 12819789 BCNHYMBBSBZDLI-UHFFFAOYSA-N 244.747 2.845 0 40 BFAB CCc1cccc(NC(=O)[C@H](C)n2cccn2)c1 12876936 OVHVWSADUBTFGW-NSHDSACASA-N 243.310 2.645 0 40 BFAB COc1cc(CNCc2ccncc2)ccc1F 16941714 LGEJUGDOLGTEQF-UHFFFAOYSA-N 246.285 2.519 0 40 BFAB Cc1cc(C(F)(F)F)nc([C@H]2CCCCN2)n1 19686180 YKIXMXKBFYOTNG-MRVPVSSYSA-N 245.248 2.618 0 40 BFAB Cc1ccc([C@@H](O)c2ccc(N)cc2)cc1 19780063 SFRPWYDPVNVNRN-CQSZACIVSA-N 213.280 2.659 0 40 BFAB CC(=O)Nc1cccc(NC2CCCC2)c1 19917052 QTGHJOGZQOJGCI-UHFFFAOYSA-N 218.300 3.000 0 40 BFAB c1ccc(CCCNCc2cccnc2)cc1 20141268 VLXKTPLOHUAUFB-UHFFFAOYSA-N 226.323 2.804 0 40 BFAB Cc1c(-c2cccc(Cl)c2)nn(C)c1N 26511906 OCAPLTJGYQSPTR-UHFFFAOYSA-N 221.691 2.631 0 40 BFAB CN(C)C(=O)C12CCC3C[C@@H](C[C@@H](C3)C1)C2 27988276 PRXBSYPABVQDAW-OEIYDUSMSA-N 221.344 2.681 0 40 BFAB Fc1cccc(COCC[C@H]2CCCCN2)c1 28522161 XKOQKFWOBXAHPI-CQSZACIVSA-N 237.318 2.875 0 40 BFAB Cc1cccc2c1N[C@@H](c1cccs1)NC2=O 28923416 NCJWYFSKCCNQNU-GFCCVEGCSA-N 244.319 2.911 0 40 BFAB O=C(c1ccccn1)N1CCC[C@@H]2CCCC[C@H]21 32819473 XFQBZGGPDQQECT-GXTWGEPZSA-N 244.338 2.876 0 40 BFAB CN(Cc1cccc(F)c1)C(=O)C1CCC1 33000194 FYXIERUJXFGBBN-UHFFFAOYSA-N 221.275 2.584 0 40 BFAB Cc1cc(CSc2ccccn2)no1 36397125 DONQCBRBVRDVQJ-UHFFFAOYSA-N 206.270 2.670 0 40 BFAB CCc1ccc(-c2ccc(C(=O)O)n2C)cc1 36917586 VLZOSIVJDMUSNA-UHFFFAOYSA-N 229.279 2.953 0 40 BFAB C[C@H]1CCCCN1C(=O)Nc1nccs1 42736798 KGBMZCZPQPTCRR-QMMMGPOBSA-N 225.317 2.549 0 40 BFAB CCOCc1cccc(Br)c1 49600924 UTPJZYYIEFTZLZ-UHFFFAOYSA-N 215.090 2.986 0 40 BFAB CCCCN(C)c1nccc2c1C(=O)OC2(C)C 69416399 QXZYPGTVQRMKFE-UHFFFAOYSA-N 248.326 2.723 0 40 BFAB CN1CC[C@H](Nc2ccc(C(C)(C)C)cc2)C1=O 71183401 LKRWIZUGKMASIK-ZDUSSCGKSA-N 246.354 2.627 0 40 BFAB COC[C@@H]1CCN(c2ccnc3ccsc23)C1 78296918 NSTBIUFIGFXXCC-SNVBAGLBSA-N 248.351 2.769 0 40 BFAB Cn1cc(NC/C=C/c2ccccc2)cn1 82394955 YIBWPNLUVMJFED-VMPITWQZSA-N 213.284 2.545 0 40 BFAB CCC[C@@H](O)c1cc(OC)cc(OC)c1 82676967 OAKLIOAPEWUNDO-GFCCVEGCSA-N 210.273 2.537 0 40 BFAB CC(=O)c1ccsc1Br 83285128 ZHHOBQRITJIZBU-UHFFFAOYSA-N 205.076 2.713 0 40 BFAB CO[C@H](C)c1nc(-c2cn(C)nc2C)cs1 95964097 GPTHTLJFZVYHQF-MRVPVSSYSA-N 237.328 2.559 0 40 BFAB COC(=O)[C@@H](NCc1ccc(C)cc1)C(C)(C)C 96003608 NRKVDURPEDMLMK-CYBMUJFWSA-N 249.354 2.672 0 40 BFAB Clc1ccc(-c2nc(Cl)n[nH]2)cc1 96436044 OUCNRPSECDTEMP-UHFFFAOYSA-N 214.055 2.779 0 40 BFAB Cc1ccn(CCC(F)(F)C(F)(F)F)n1 96509093 FGMGVHIAWNQYFX-UHFFFAOYSA-N 228.164 2.779 0 40 BFAB CC(C)=CC(=O)Nc1ccc(CCC(=O)O)cc1 97018924 XFUUGVRMIVMLNR-UHFFFAOYSA-N 247.294 2.609 0 40 BFAB C[C@H](Cc1ccc(F)cc1)Nc1ccnn1C 97037939 IIQLRQAGAYCHRC-SNVBAGLBSA-N 233.290 2.602 0 40 BFAB CC(=O)O[C@@H]1C[C@H]2CC[C@]13CCCC[C@H]23 103843290 BSPSZYSOSCHMNE-LPWJVIDDSA-N 208.301 2.908 0 40 BFAB CCOc1ccccc1[C@@H]1C[C@@H]1[C@H](C)O 108350573 CBFYMQPYNYGCPF-WCQGTBRESA-N 206.285 2.570 0 40 BFAB Cc1cccc(NCCCCn2ccnc2C)n1 157702774 CMUZLHBIGLHOGH-UHFFFAOYSA-N 244.342 2.787 0 40 BFAB CCC[C@@H](C(=O)c1ccccc1)N(C)C 167259195 WFXNELBKSSVCEJ-LBPRGKRZSA-N 205.301 2.600 0 40 BFAB in-vitro CCC(=O)O[C@@H]1C[C@H]2C[C@@H]1[C@H]1C=CC[C@@H]21 212560288 ZPFJBPIFMMENKC-YBXAARCKSA-N 206.285 2.540 0 40 BFAB O=C(Cc1ccccc1)NCC1=CCCCC1 223382781 DOJGNUFZXCZNCR-UHFFFAOYSA-N 229.323 2.846 0 40 BFAB O=Cc1nc(-c2cccs2)n2ccccc12 564769 QBMIPXXTUOFQGU-UHFFFAOYSA-N 228.276 2.875 0 40 BFAB Nc1ccc2c(c1)Oc1ccc(N)cc1O2 1607928 BEDDLDBPAODZQH-UHFFFAOYSA-N 214.224 2.749 0 40 BFAB Nc1ccc2c(c1)[C@H](O)c1ccc(Cl)cc1-2 1698852 JXQOEWRFOZIFRB-CYBMUJFWSA-N 231.682 2.984 0 40 BFAB CCCCN(C)[C@H](C)[C@H](O)c1ccccc1 1752357 FJIKJFWKVKMDTN-OCCSQVGLSA-N 221.344 2.840 0 40 BFAB biogenic Cc1cc2nc(-c3ccc(=O)[nH]c3)[nH]c2cc1C 11363900 BOTHPZAQTGVOQK-UHFFFAOYSA-N 239.278 2.535 0 40 BFAB COc1ccc(NC(=O)c2noc(C)c2C)cc1 13641082 MZIDELKBYJHACN-UHFFFAOYSA-N 246.266 2.552 0 40 BFAB COc1ccc(NC2=N[C@@H](C)CS2)cc1 16740134 JMAMQDDYSJAJNX-QMMMGPOBSA-N 222.313 2.598 0 40 BFAB CCC[C@@H](C)NC(=O)COc1ccc(F)cc1 19935072 WTDFZQASTLHIEU-SNVBAGLBSA-N 239.290 2.509 0 40 BFAB N[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 29046293 WDWZYVCJRRSQDE-DTWKUNHWSA-N 201.191 2.520 0 40 BFAB COC(=O)[C@H](C)c1ccc2cc(O)ccc2c1 31776627 RKDCLWDNCOUHGF-SECBINFHSA-N 230.263 2.822 0 40 BFAB Nc1ccccc1-c1n[nH]c2c1CCCC2 32628094 KOUNBWUWLWXVRW-UHFFFAOYSA-N 213.284 2.538 0 40 BFAB in-vitro CSc1ccc(C(=O)N2CCCC2)cc1 32674557 VTBULWUXKLPQFI-UHFFFAOYSA-N 221.325 2.645 0 40 BFAB Oc1ccn(-c2ccc(Cl)cc2Cl)n1 34541657 NBCPEMHOTAGCPR-UHFFFAOYSA-N 229.066 2.885 0 40 BFAB COc1ccc(S[C@H](C)C(C)=O)cc1 34980885 AHVQLHLCUTVWLW-SECBINFHSA-N 210.298 2.765 0 40 BFAB Cc1cnc(NCCc2ccccc2)c(N)c1 36226363 BKCGWCMXBNRSDF-UHFFFAOYSA-N 227.311 2.627 0 40 BFAB COC(=O)CCCCCCCC[C@H](O)CF 36467879 BLRWNMAXNVOGQH-NSHDSACASA-N 234.311 2.611 0 40 BFAB Cc1cc(C)c(O[C@@H]2CCNC2)c(Cl)c1 42774968 TZJBRXZXGIMAQA-SNVBAGLBSA-N 225.719 2.698 0 40 BFAB Cc1nc(NC(=O)NCC(C)C)sc1C 43551100 DOMIMNSNGOHJFA-UHFFFAOYSA-N 227.333 2.537 0 40 BFAB O=C(O)c1csc2cc(Cl)cnc12 44029939 CDUYFKVZTTWWIL-UHFFFAOYSA-N 213.645 2.648 0 40 BFAB in-vitro c1ccc2c(c1)ccn2C[C@@H]1CCCNC1 58014625 ACVMPTGKYWZAMX-GFCCVEGCSA-N 214.312 2.641 0 40 BFAB C[C@H](c1nnc(-c2cccs2)o1)N1CCCC1 69369652 OFGYISGUABSOCC-SECBINFHSA-N 249.339 2.955 0 40 BFAB CCC(=O)N(C)C1C2CC3CC(C2)CC1C3 70252785 WJTOWVNMXZODCN-UHFFFAOYSA-N 221.344 2.680 0 40 BFAB CCN(CC)c1ccc([C@H]2CCCN2C)cn1 72212822 FOQKKGFZDRJLOB-CYBMUJFWSA-N 233.359 2.695 0 40 BFAB CCCN(CCC)c1ncc(CO)cc1C 72222241 ASOXGAGIXOYDBW-UHFFFAOYSA-N 222.332 2.509 0 40 BFAB C[C@@H](O)c1cccc(C(F)(F)F)c1F 75852773 YIDJOYSEVWVENZ-RXMQYKEDSA-N 208.154 2.898 0 40 BFAB CCOC(=O)CCCOc1ccc(F)c(F)c1 75881212 QIXVEOSSLHVANI-UHFFFAOYSA-N 244.237 2.687 0 40 BFAB C(=C/c1ccccc1)\CCNC[C@@H]1CCCNC1 79440056 DYFHFGUXETYWEU-UFNQUYMESA-N 244.382 2.679 0 40 BFAB Cc1c(N)cccc1-c1noc(C(C)C)n1 82536058 MTXIPGMDDNKYMD-UHFFFAOYSA-N 217.272 2.751 0 40 BFAB Nc1cc2c(Br)cccc2[nH]1 82952768 GZIGGBBBIRJSNP-UHFFFAOYSA-N 211.062 2.513 0 40 BFAB Cc1ccc2cccc(C(=O)N3CCCC3)c2n1 89665938 LNGNZPZRTGNRFV-UHFFFAOYSA-N 240.306 2.779 0 40 BFAB CC(C)COc1cc(F)ccc1C(=O)O 95730512 JIOSGXRGDURBCR-UHFFFAOYSA-N 212.220 2.559 0 40 BFAB Cc1nnc(CN[C@H](C)[C@@H](C)c2ccccc2)o1 97048992 CEHTXKRRXZRRJE-GHMZBOCLSA-N 245.326 2.660 0 40 BFAB CCN(Cc1ccccc1)[C@H]1CC[C@H](N)CC1 101001047 CMFAWHXFZMVYBW-GASCZTMLSA-N 232.371 2.778 0 40 BFAB CCCCc1nc([C@H]2CCCCCN2)no1 159522770 QROFVICBVYCACP-SNVBAGLBSA-N 223.320 2.617 0 40 BFAB Cc1ccc(CNC(=O)CCC(F)(F)F)cc1 173060497 WRSBMEIBYMDZDM-UHFFFAOYSA-N 245.244 2.954 0 40 BFAB NN[C@@H](c1cc(F)cc(Cl)c1)C(F)(F)F 199536428 FDXQGTQJJSILBI-ZETCQYMHSA-N 242.603 2.546 0 40 BFAB CN1CCC[C@H](Cc2ccnc(Cl)c2)C1 205698502 NXWVIWWLDVFSCM-LLVKDONJSA-N 224.735 2.619 0 40 BFAB CCc1ccc2nccc(NCCCNC)c2c1 222677903 QEJFSTDVBVCLRS-UHFFFAOYSA-N 243.354 2.819 0 40 BFAB Cc1ccc(Cl)cc1-n1cccc1CN 223686546 NIAFABZABVQGNO-UHFFFAOYSA-N 220.703 2.898 0 40 BFAB CSc1ccccc1NC(=O)c1cnco1 224061893 XUNKOOZFIQQAJF-UHFFFAOYSA-N 234.280 2.649 0 40 BFAB CCC[C@H](C)NC(=O)c1ccc(OC)c(F)c1 225389534 DWTAUBLZNQFFTA-VIFPVBQESA-N 239.290 2.753 0 40 BFAB O=C1Nc2ccc(Br)cc2[C@H]2C[C@@H]12 225812095 IZNQQPFXDKFDOD-HTRCEHHLSA-N 238.084 2.505 0 40 BFAB CCCCn1ccc(CO[C@H](C)CC)n1 408715207 FVBPGCSDDHPAMR-LLVKDONJSA-N 210.321 2.998 0 40 BFAB C[Si]1(C)CCC[C@H](CC(=O)O)CC1 584905839 JVGQOHOSFHSHJX-VIFPVBQESA-N 200.354 2.970 0 40 BFAB FC(F)(F)Oc1ccc(-c2cnon2)cc1 953061875 YUOBXPLCRXFRJC-UHFFFAOYSA-N 230.145 2.635 0 40 BFAB COC(=O)[C@@H]1C[C@H]1c1cc(C)cc(C)c1 1857793748 CZNJNXVTQLKKQO-NWDGAFQWSA-N 204.269 2.580 0 40 BFAB CCN(CC)C(=O)Cn1c(C)cc2ccccc21 1643123 MPRMWLVHRHZLML-UHFFFAOYSA-N 244.338 2.818 0 40 BFAB O=C(Nc1ccccc1Cl)n1ccnc1 1671925 WVYSPTSYYJFACX-UHFFFAOYSA-N 221.647 2.617 0 40 BFAB CC(=O)N1CCc2c([nH]c3ccccc23)[C@H]1C 3132129 MRKQVVVVXFEYDX-SECBINFHSA-N 228.295 2.634 0 40 BFAB Cc1cccc2c1=c1nc3ccccc3nc1=2 3848101 MUOOWLGPLUFBJI-UHFFFAOYSA-N 218.259 2.826 0 40 BFAB biogenic CC(C)CCNC(=O)c1ccc(N(C)C)cc1 5632831 OKUXQUGOVXCENJ-UHFFFAOYSA-N 234.343 2.529 0 40 BFAB C/C=C/C=C/C(=O)O[C@@H](C)C(=O)c1ccccc1 6361228 FDPPMYLIHLAFGS-IAGPPTFNSA-N 244.290 2.933 0 40 BFAB CCOC(=O)c1cc(-c2cccc(F)c2)on1 8700497 STKHVSUVJQOXSL-UHFFFAOYSA-N 235.214 2.657 0 40 BFAB CC(C)Oc1ccc(-n2cccc2)cc1N 8702383 NKVYLOYBFQSBAR-UHFFFAOYSA-N 216.284 2.847 0 40 BFAB C[C@H](Cc1c(F)cccc1Cl)C(=O)O 11976583 GSNYSUXEMOLMAP-ZCFIWIBFSA-N 216.639 2.742 0 40 BFAB Cc1nc2cc(N)ccc2n1-c1ccccc1 12341758 LUUFJWDADHYUJL-UHFFFAOYSA-N 223.279 2.916 0 40 BFAB in-vitro NC(=O)c1ccc(COc2ccc(F)cc2)cc1 12973113 ACKDUJFUZZJUKJ-UHFFFAOYSA-N 245.253 2.504 0 40 BFAB C[C@@H]1C[C@@H]1C(=O)N(C)Cc1ccccc1Cl 12979432 MISYTIIRDFJOOG-KOLCDFICSA-N 237.730 2.954 0 40 BFAB CCOC(=O)/C(C)=C(\C)Nc1ccccc1 16953150 ZRFZLKRWJQAYMX-ZHACJKMWSA-N 219.284 2.956 0 40 BFAB COc1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H]2C)cc1 16971605 COSNGNOZECLPTG-OUJBWJOFSA-N 233.311 2.528 0 40 BFAB CCCCOC(=O)c1cc(N)ccc1OCC 20155748 RUYRQTWEUDYIIW-UHFFFAOYSA-N 237.299 2.624 0 40 BFAB Cc1cccc(N[C@H](C)C(=O)NCC(C)C)c1 20312491 IVJPADYYZFCBLQ-GFCCVEGCSA-N 234.343 2.568 0 40 BFAB O=C(O)CCCCC(=O)C1CCCCC1 32227414 ITWAGYWPYYIURG-UHFFFAOYSA-N 212.289 2.781 0 40 BFAB O=C(O)C[C@@H]1CCC[C@@H](C(F)(F)F)C1 34293461 BUJBAYNWPMAINK-RNFRBKRXSA-N 210.195 2.830 0 40 BFAB in-vitro CCNC(=S)Nc1nc2ccccc2s1 34457998 XPUDECGOZRGDMX-UHFFFAOYSA-N 237.353 2.603 0 40 BFAB Nc1[nH]nc(C2CC2)c1-c1ccccc1F 41229641 IWSNKPDNGXEDRK-UHFFFAOYSA-N 217.247 2.675 0 40 BFAB CC[C@@H](C)C(=O)N[C@H](C)CCc1ccco1 41975740 VSSCUFZFKBMHMI-GHMZBOCLSA-N 223.316 2.763 0 40 BFAB COc1cccc(CCNC(=O)C2CCCC2)c1 48298800 WKDQPGIMKQWEHC-UHFFFAOYSA-N 247.338 2.544 0 40 BFAB COCc1ccc(F)cc1Br 49600920 CWCNNEIMQLLAQI-UHFFFAOYSA-N 219.053 2.735 0 40 BFAB CC(=O)c1ccccc1NCc1cc(C)on1 58338401 JJZHKBGFNIWVPN-UHFFFAOYSA-N 230.267 2.798 0 40 BFAB CCc1cc(Cl)nc(-c2ccoc2)n1 63046747 CQIRVAUANJUQNJ-UHFFFAOYSA-N 208.648 2.952 0 40 BFAB O=Cc1c(-c2cccc(F)c2)noc1Cl 71976715 IKUPKOIZIAGTAV-UHFFFAOYSA-N 225.606 2.947 0 40 BFAB CCCN1CCC[C@H]1c1cncc(C)c1 72211345 UZJRHLUQSJSSDM-ZDUSSCGKSA-N 204.317 2.937 0 40 BFAB CCCNc1ncccc1[C@@H]1CCCCN1 72213146 SEIUJSPQTYSDNJ-LBPRGKRZSA-N 219.332 2.718 0 40 BFAB CC(C)CNc1ccc(C2=NCCC2)cn1 72213295 KJMVMPQPPGFWLN-UHFFFAOYSA-N 217.316 2.732 0 40 BFAB CCCNc1ncc([C@H](N)CC)cc1C 72222179 ZIUJSMFMCHSFLY-LLVKDONJSA-N 207.321 2.622 0 40 BFAB O=C(C1CCCC1)N1CCC[C@@H]1c1ccccn1 72348522 PGKOVJMELXWYBR-CQSZACIVSA-N 244.338 2.935 0 40 BFAB Sc1nncc(-c2cc3ccccc3o2)n1 74941363 YVASKKIWDSEWRU-UHFFFAOYSA-N 229.264 2.574 0 40 BFAB CC(=O)CCC[C@H](C)CO[C@@H]1CCCCO1 83291739 QATYWYWXGPNTNI-WCQYABFASA-N 228.332 2.925 0 40 BFAB CCCc1noc(CN2CCC[C@@H]3CCC[C@@H]32)n1 89960513 ISQKEPXUBDYLPP-RYUDHWBXSA-N 249.358 2.787 0 40 BFAB Cc1ccc(CN(C)C[C@@H]2CCOC2)cc1C 93840149 DZDGHVPNHLVLSA-HNNXBMFYSA-N 233.355 2.772 0 40 BFAB CC(C)(C)c1nccc(N2CCC=C(F)C2)n1 95467668 VQBZKCPUJNRUMX-UHFFFAOYSA-N 235.306 2.838 0 40 BFAB Cn1cccc1CNc1nnc(CC(C)(C)C)o1 97045486 CREIXPACJYMMCE-UHFFFAOYSA-N 248.330 2.609 0 40 BFAB Cc1c(F)ccc(CC(=O)O)c1C(F)(F)F 98210811 JAPLYLYVMZKVSV-UHFFFAOYSA-N 236.164 2.780 0 40 BFAB CC1(C)[C@@H]2CC[C@]1(C)c1nc(N)sc12 100006524 CEOWRADDCLFLQS-KSBSHMNSSA-N 208.330 2.900 0 40 BFAB COc1cc2nccc(Cl)c2cc1C(=O)O 115305496 NJNCUNAOBIJAQR-UHFFFAOYSA-N 237.642 2.595 0 40 BFAB Cc1cc(NCCN)c2cc(Cl)cc(C)c2n1 222688432 SRQNPDGABPYQGQ-UHFFFAOYSA-N 249.745 2.876 0 40 BFAB c1cc(CN2C[C@H]3C[C@H](OCC4CC4)[C@H]2C3)co1 247947311 KCPQYCPPECBAPA-KFWWJZLASA-N 247.338 2.669 0 40 BFAB O=C(O)[C@@H]1C[C@@H]1[C@H]1C[C@@H]1c1ccccc1 252487416 XFIGCNCLVXGNDI-WRWGMCAJSA-N 202.253 2.511 0 40 BFAB CCCC[C@@H](C)C(=O)NCc1ccccc1CO 252499983 SKZRWMKHPMHTEH-GFCCVEGCSA-N 249.354 2.621 0 40 BFAB Cc1ccncc1NC(=O)[C@H]1CC=CCC1 264279532 TXQUCTVNCIFUEY-NSHDSACASA-N 216.284 2.685 0 40 BFAB Cc1cc(C(=O)C(F)(F)F)cnc1Cl 307510632 WFZNOLPCMCOGSX-UHFFFAOYSA-N 223.581 2.788 0 40 BFAB Cc1nn(C2CCSCC2)c2c1CCC2 887292727 CFSQSFLKWDSQFU-UHFFFAOYSA-N 222.357 2.748 0 40 BFAB Cc1c(N)cccc1C[C@@H](C)NCC(C)(F)F 1083805708 RECXAFJEATVLII-SECBINFHSA-N 242.313 2.753 0 40 BFAB Cc1ccc2nc(C)cc(N3CCOCC3)c2c1 120810 PINDNAYXMWVKKH-UHFFFAOYSA-N 242.322 2.688 0 40 BFAB Cc1cccc2sc(NC(=O)C3CC3)nc12 363625 AIOKJYZOUZDXPH-UHFFFAOYSA-N 232.308 2.953 0 40 BFAB COC(=O)COc1c(C)cc(Cl)cc1Cl 1732127 NFPRDHONKRTNPH-UHFFFAOYSA-N 249.093 2.854 0 40 BFAB COC(=O)c1sc2cc(N)ccc2c1Cl 2536947 OHIDFXTUQYNDLX-UHFFFAOYSA-N 241.699 2.924 0 40 BFAB C/C=C/C(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C 2562273 OWXHDOIFLLGSQV-NAUUNJAMSA-N 245.278 2.671 0 40 BFAB COc1ccc([C@@H]2CC[C@@H](O)C2(C)C)cc1 3850104 BVOUDYVITANVBL-QWHCGFSZSA-N 220.312 2.960 0 40 BFAB biogenic COC(=O)N[C@@H]1Cc2cccc3cccc1c23 5031516 OBVVWYGXMSUGKE-GFCCVEGCSA-N 227.263 2.793 0 40 BFAB Cc1ccsc1C(=O)NCCc1ccco1 8276567 KIKUMXNORRHASH-UHFFFAOYSA-N 235.308 2.622 0 40 BFAB CCCCNc1ccccc1C(=O)OC 8703131 PEFDATUXUCRRKT-UHFFFAOYSA-N 207.273 2.685 0 40 BFAB O=Cc1ccccc1OCCN1CCCCCC1 9237557 VJVAWPQKWVPKSE-UHFFFAOYSA-N 247.338 2.754 0 40 BFAB C/C=C/C=C/C(=O)Nc1ccc(OC)c(OC)c1 9499302 SZNHISOVDGFECZ-YTXTXJHMSA-N 247.294 2.775 0 40 BFAB CC1CCN(CCc2nc3ccccc3[nH]2)CC1 12729564 MIVYGARWDRAXLP-UHFFFAOYSA-N 243.354 2.837 0 40 BFAB CCCNC(=O)CCc1c[nH]c2ccccc12 13005763 CLCPQANLQRDRBV-UHFFFAOYSA-N 230.311 2.627 0 40 BFAB Cc1ccc(C(=O)C[C@@H](C)CC(=O)O)cc1 15441733 QLFLVSLHVOQLTB-SNVBAGLBSA-N 220.268 2.679 0 40 BFAB CCCCN(CCCC)CC[C@H](C)N 20485097 KAYRTSALKIVJJN-LBPRGKRZSA-N 200.370 2.626 0 40 BFAB CC(C)c1noc(-c2cccnc2Cl)n1 22120316 CUNQIIZIGUKISX-UHFFFAOYSA-N 223.663 2.908 0 40 BFAB CN(Cc1ccc(Cl)cc1)C(=O)C1CC1 32962319 LSBWFYVZXVQJTJ-UHFFFAOYSA-N 223.703 2.708 0 40 BFAB O=C1NC2(CCCCCC2)Nc2ccccc21 34483021 PXADIMWHZWCHOB-UHFFFAOYSA-N 230.311 2.892 0 40 BFAB Clc1ccc2nnc(-c3ccsc3)n2n1 34962787 UIBXBZPWKNYOJZ-UHFFFAOYSA-N 236.687 2.506 0 40 BFAB in-vitro Clc1ccc(OC[C@H]2CCNC2)c(Cl)c1 42772309 HIHZRVLMCOGOFI-QMMMGPOBSA-N 246.137 2.982 0 40 BFAB C[C@@H]1CCCN(c2cccc(Cl)n2)C1 42783662 QEQOPCURLFSIEM-SECBINFHSA-N 210.708 2.971 0 40 BFAB CCOC(Cc1ccc(F)cc1F)OCC 43502843 HANYTLJFPJHBKS-UHFFFAOYSA-N 230.254 2.906 0 40 BFAB in-vitro CC(C)(C)c1cc(NC(=O)c2ccoc2)[nH]n1 48750649 MYVGMKDICADXJN-UHFFFAOYSA-N 233.271 2.553 0 40 BFAB CC(C)C(=O)Nc1ccc(C(=O)O)c(Cl)c1 48806817 DSAFHBCPJDIRLC-UHFFFAOYSA-N 241.674 2.633 0 40 BFAB CNC[C@@H]1C[C@H]1c1ccc(Br)cc1 54588605 KWWGPEVMZRIDED-ONGXEEELSA-N 240.144 2.772 0 40 BFAB CCOc1ccc(OC)c(C(=O)CC)c1 71455358 PNXGIXSDFVGECO-UHFFFAOYSA-N 208.257 2.687 0 40 BFAB COC(=O)COc1ccc2ccccc2c1C 72226988 XXHXKPRFMSVFMC-UHFFFAOYSA-N 230.263 2.700 0 40 BFAB CC[C@H](c1ccccc1)N(CCN)C(C)C 79421242 OGQBHXGLPYWSKR-CQSZACIVSA-N 220.360 2.807 0 40 BFAB Fc1cc(CNc2ccon2)cc(F)c1F 83355843 MKFQCITUSVBOCM-UHFFFAOYSA-N 228.173 2.704 0 40 BFAB CCCCOc1cc(CCO)ccc1F 95732058 XATSRRHGKBPFAZ-UHFFFAOYSA-N 212.264 2.539 0 40 BFAB CC[C@@H](O)CN[C@@H](C)[C@H](C)c1ccccc1 97110037 PXEKSGOZQYXUGP-SGMGOOAPSA-N 221.344 2.539 0 40 BFAB O=C(NCc1ccccc1F)[C@@H]1C[C@H]2C=C[C@H]1C2 102261007 LPJKSBAHOMPAIK-GMXVVIOVSA-N 245.297 2.654 0 40 BFAB O[C@]12Cc3ccccc3[C@H]3[C@H]1[C@@H]3c1ccccc12 104280055 CWPZWBPNJQBXLL-NCOADZHNSA-N 234.298 2.941 0 40 BFAB CCC[C@@H](C)Nc1ccc(N)cc1C(=O)NCC 225492435 SKPCTNGHTFCERW-SNVBAGLBSA-N 249.358 2.619 0 40 BFAB N[C@H](C[C@H](CCO)C(F)(F)F)c1ccccc1 256053450 RMVNTJUVZGGYGE-WDEREUQCSA-N 247.260 2.637 0 40 BFAB CCN1C(=O)N(C)[C@@H]2[C@H](c3ccccc3)CC[C@@H]21 257263679 LQZXEJWKKJZIOZ-MELADBBJSA-N 244.338 2.689 0 40 BFAB COC(=O)CCCCC(=O)c1ccccc1C 259852005 LUGMABYWFLCHEE-UHFFFAOYSA-N 234.295 2.911 0 40 BFAB Cc1cc2nccc(-c3cccs3)n2n1 153796 NMBCDIVQGUULSR-UHFFFAOYSA-N 215.281 2.766 0 40 BFAB CCSc1nnc2c(n1)[nH]c1ccc(F)cc12 422472 GPKYMKWONSFBHD-UHFFFAOYSA-N 248.286 2.757 0 40 BFAB CC(=O)OCc1cccc2ccccc12 1694724 DLZJIFRRPVEMAK-UHFFFAOYSA-N 200.237 2.903 0 40 BFAB C1=NN(c2ccccc2)C=NN1c1ccccc1 1704394 KPDWWEJAIPSECL-UHFFFAOYSA-N 236.278 2.900 0 40 BFAB CC(C)(Nc1cccc(Cl)c1)C(=O)O 4253333 NRTSVSCSQLIKHR-UHFFFAOYSA-N 213.664 2.615 0 40 BFAB CC(=O)/N=c1\sc(C)c(-c2ccccc2)n1C 8332375 PEAZOUHTEKWZFY-YPKPFQOOSA-N 246.335 2.509 0 40 BFAB Cc1ccc([C@@H](N)c2ccncc2)c(C)c1 11737351 GCSAYVGGNLEYAY-AWEZNQCLSA-N 212.296 2.747 0 40 BFAB Cc1csc(COc2cccc(C(=O)O)c2)n1 11851322 QPLZTWHDJKTVFJ-UHFFFAOYSA-N 249.291 2.729 0 40 BFAB COc1ccc(C)cc1NC(=O)c1cc(C)no1 17338170 UBHBFMQXBVXBRG-UHFFFAOYSA-N 246.266 2.552 0 40 BFAB NCc1ccc(Cc2cccs2)cc1 19780095 LBZIYIMWOLUCAL-UHFFFAOYSA-N 203.310 2.798 0 40 BFAB in-vitro Nc1cc(F)ccc1NC(=O)C1CCCC1 20157348 ZWPNYVGWRMQSHM-UHFFFAOYSA-N 222.263 2.537 0 40 BFAB Cc1ccc(Oc2cc(CN)ccn2)cc1C 22170472 YSFMVOWBXNBZLO-UHFFFAOYSA-N 228.295 2.949 0 40 BFAB in-vitro O=C(Nc1ccc2nccnc2c1)c1ccccc1 33737710 UMPJDCLCONMNBW-UHFFFAOYSA-N 249.273 2.882 0 40 BFAB O=C(O)c1ccc(-c2c(F)cccc2F)o1 34975314 RFIXBOSABJBRDU-UHFFFAOYSA-N 224.162 2.923 0 40 BFAB O=C1O[C@@H](c2ccccc2)C(=O)c2ccccc21 38841825 XCHGJUZNPCZXLL-AWEZNQCLSA-N 238.242 2.781 0 40 BFAB Oc1ccc(SCc2noc(C3CC3)n2)cc1 42374119 YBRPJHBMALUUHW-UHFFFAOYSA-N 248.307 2.945 0 40 BFAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)NC2CC2)c1 44884234 DNNVDGYPLDDIJE-GFCCVEGCSA-N 247.338 2.658 0 40 BFAB CN(C)C(=O)Cc1c(Cl)cccc1Cl 47651530 ASVPNKUZIMUZKZ-UHFFFAOYSA-N 232.110 2.624 0 40 BFAB CCC(CC)NC(=O)CCc1ccc(OC)cc1 48090688 DJVZMQPTNHLCDG-UHFFFAOYSA-N 249.354 2.933 0 40 BFAB CC(=O)c1ccc(OCC(=O)C(C)(C)C)cc1 48102044 VGTDBECKNGNHQQ-UHFFFAOYSA-N 234.295 2.883 0 40 BFAB Cc1cc(C(=O)N(C)[C@H](C)c2ccccc2)[nH]n1 48608726 UYMQHAMUSXYESZ-LLVKDONJSA-N 243.310 2.551 0 40 BFAB CNc1cc(CN(C)Cc2ccccc2)ccn1 52717583 XBFPVMIHXJFENE-UHFFFAOYSA-N 241.338 2.755 0 40 BFAB CCCn1c(CN)nc2ccc(Cl)cc21 53944127 GHOQKVQIKYISIY-UHFFFAOYSA-N 223.707 2.558 0 40 BFAB CN(C)C(=O)c1cc(Cl)cc2cccnc12 55404665 QQAJUSXKFMSVKD-UHFFFAOYSA-N 234.686 2.590 0 40 BFAB C[C@H](c1nc(-c2cccs2)no1)N1CCCC1 65565745 SVFONNXIYMKIID-SECBINFHSA-N 249.339 2.955 0 40 BFAB CCCCS(=O)(=O)Cc1ccc(F)cc1 71185626 RIGHYIVAIGTLAE-UHFFFAOYSA-N 230.304 2.541 0 40 BFAB CCc1cc(C(F)(F)F)ccc1C(=O)O 71618678 UWYLBTYECXXFPX-UHFFFAOYSA-N 218.174 2.966 0 40 BFAB CCCNc1ccc([C@@H]2CCCN2C(C)=O)cn1 72213187 DQYLZAISPDNWQR-ZDUSSCGKSA-N 247.342 2.587 0 40 BFAB CC(=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1 77310019 HHFMDOBWCCQMOI-CABCVRRESA-N 231.339 2.924 0 40 BFAB N[C@H](c1ccccc1C(F)(F)F)C(F)F 87688203 PMRIHIDNHBRPGF-SSDOTTSWSA-N 225.160 2.970 0 40 BFAB CCc1nc2n(n1)CCC[C@H]2NC1CCCCC1 89295925 SCFRUVUBDCNBQV-GFCCVEGCSA-N 248.374 2.598 0 40 BFAB Cc1ncn(C[C@H](C)NC2CCCCC2)c1C 93368946 UGAZQMBARHQOPY-NSHDSACASA-N 235.375 2.811 0 40 BFAB O=C(O)c1cccc2nc(C(F)(F)F)ccc12 95762322 ICJUSTJVYPTNMQ-UHFFFAOYSA-N 241.168 2.952 0 40 BFAB CC1(C)C[C@H](O)[C@]23CC[C@@H](O)[C@@](C)(CC[C@H]12)C3 100646942 BWXJQHJHGMZLBT-MUGBGTHKSA-N 238.371 2.725 0 40 BFAB biogenic C[C@H](C(=O)N1CCCC1)c1ccc(F)cc1F 104153517 IGAXDKKQYKQIDJ-VIFPVBQESA-N 239.265 2.691 0 40 BFAB CC[C@H](C)n1nccc1CNc1cn(C)nc1C 256050323 DPRUVQPSAIDGCX-JTQLQIEISA-N 247.346 2.508 0 40 BFAB CSc1cccc(Br)c1CO 258286475 YBPHSAVAIVGBFD-UHFFFAOYSA-N 233.130 2.663 0 40 BFAB S=C(Nc1ccncc1)N[C@H]1C[C@H]2CC[C@H]1C2 260659340 XWNMYFCNWPYUGI-NHCYSSNCSA-N 247.367 2.557 0 40 BFAB CCCOc1ccccc1/C=C/[N+](=O)[O-] 408603068 PYQRKJJBCQFKPG-BQYQJAHWSA-N 207.229 2.723 0 40 BFAB O=C(O)c1coc2c1CC[C@@H](C(F)(F)F)C2 575421745 AXSGZPFJWXCESB-RXMQYKEDSA-N 234.173 2.645 0 40 BFAB CN(C)[C@@H]1CCC[C@@H]1Oc1ncccc1Cl 585655173 VZGWHBYQCURPCR-MNOVXSKESA-N 240.734 2.597 0 40 BFAB CCc1c(C)nn(C[C@H]2CCSC2)c1C 634629072 MCRKRZAHINOPCK-LLVKDONJSA-N 224.373 2.815 0 40 BFAB CC1=NN(c2ccncc2Cl)C(=O)C12CCC2 899351564 NWQAHHFNQFKLGV-UHFFFAOYSA-N 249.701 2.628 0 40 BFAB NC(=O)CC(c1ccccc1)c1ccccc1 30152 DYMSJANEHGEKSI-UHFFFAOYSA-N 225.291 2.694 0 40 BFAB Cc1oc(COc2ccccc2)cc1C(=O)O 3320331 CPRWVHUVIQFSCC-UHFFFAOYSA-N 232.235 2.865 0 40 BFAB COC(=O)CC[C@H](N)c1ccc2ccccc2c1 4240514 HDPBCLBAHCJTSO-AWEZNQCLSA-N 243.306 2.793 0 40 BFAB CCc1ccc2c(c1)[C@@H](O)c1ccccc1[C@@H]2O 5471550 BCOIBXZDUNKNNS-HOTGVXAUSA-N 240.302 2.726 0 40 BFAB Cc1cc2ccccc2n1[C@H](C)C(=O)O 8702175 VMPIDMASVXEVNM-SECBINFHSA-N 203.241 2.595 0 40 BFAB CCC[C@H](Nc1ccc(OCC)cc1)C(=O)O 8702796 KPTNEFAZZQAVQT-LBPRGKRZSA-N 237.299 2.751 0 40 BFAB Fc1cc(-c2ccc(Cl)cn2)ccn1 12359377 UCTHNJGQZMBIOJ-UHFFFAOYSA-N 208.623 2.936 0 40 BFAB Nc1ccccc1/C=C\C(=O)Oc1ccccc1 13403679 PNMHLILTWUMHHX-KHPPLWFESA-N 239.274 2.888 0 40 BFAB Cc1ccc(OCC(=O)NC(C)(C)C)cc1C 13992390 CVCKNEPHTNYIJM-UHFFFAOYSA-N 235.327 2.597 0 40 BFAB C[C@@H](CC(=O)O)CC(=O)c1cc(F)cc(F)c1 15441762 CLNJUIWHVAHCGO-SSDOTTSWSA-N 242.221 2.648 0 40 BFAB Cn1c(C(=O)O)c(Cl)c2ccccc21 19770061 PJHFELNJKKGZHO-UHFFFAOYSA-N 209.632 2.530 0 40 BFAB in-vitro CCC(=O)c1ccc(OCCN2CCCC2)cc1 20253808 WGOZWZSZBAKEDI-UHFFFAOYSA-N 247.338 2.754 0 40 BFAB COC(=O)N1C=N[C@@H]2[C@]3(C)C(C)=C(C)[C@]3(C)[C@]21C 31720344 VKKNOGRYQAHSRF-SAXRGWBVSA-N 248.326 2.600 0 40 BFAB CCC(CC)NC(=O)c1cccnc1SC 32666554 APNBLRQSPQTEIL-UHFFFAOYSA-N 238.356 2.722 0 40 BFAB CN(c1ccccc1)c1nc(C(=O)O)cs1 33507817 PGNOYARCOJMDDM-UHFFFAOYSA-N 234.280 2.609 0 40 BFAB Clc1ccc(CCNCC2CC2)cc1 36154563 PUYOKMJGJLEVMW-UHFFFAOYSA-N 209.720 2.882 0 40 BFAB in-vitro CC(=O)Cn1c(C)cc(=O)c2cc(Cl)ccc21 40164134 CKYWTPAAOJSBOZ-UHFFFAOYSA-N 249.697 2.552 0 40 BFAB C[C@H](CN)Cc1ccc(Br)cc1 52946728 WNWPZOPYROHQCF-QMMMGPOBSA-N 228.133 2.586 0 40 BFAB CCCNC(=S)Nc1cccc(OCC)c1 54971764 XSHUNVJORBCUBI-UHFFFAOYSA-N 238.356 2.782 0 40 BFAB CC(C)(C(=O)O)c1csc(-c2cccnc2)n1 57536945 GQNBOTQXPDHHQI-UHFFFAOYSA-N 248.307 2.567 0 40 BFAB O=C([C@@H]1C[C@H]1c1cccc(F)c1)N1CCCC1 67125193 HLVOTBBKRZFXBS-QWHCGFSZSA-N 233.286 2.552 0 40 BFAB COc1ccc(C(C)(C)C)cc1C(=O)N(C)C 72206505 XGLYODKIJYMQST-UHFFFAOYSA-N 235.327 2.695 0 40 BFAB c1cnc(N2CCCCCC2)c([C@H]2CCCN2)c1 72216685 MLXHPLPDIPSZHQ-CQSZACIVSA-N 245.370 2.887 0 40 BFAB CCNC(=O)N1CCC(c2ccsc2)CC1 77103844 JNXOGKMYOGABDI-UHFFFAOYSA-N 238.356 2.657 0 40 BFAB CC(C)N(Cc1ccccc1)[C@@H]1CCCNC1 79437961 BVHFAXPBYLIMEG-OAHLLOKOSA-N 232.371 2.649 0 40 BFAB CC[C@@H](C)Oc1ccc(C(=O)OC)cc1 83187534 HSFOKEFAEWVYQS-SECBINFHSA-N 208.257 2.651 0 40 BFAB CC(C)Cc1csc(-c2nccn2C)n1 95462130 WVHQSRWCTKDFIQ-UHFFFAOYSA-N 221.329 2.742 0 40 BFAB Cc1ccnc(NC(=O)N2C[C@H]3CCC[C@H]3C2)c1 97372790 AANYGDVYYWPEBS-TXEJJXNPSA-N 245.326 2.654 0 40 BFAB CC(=O)N([C@H](C)c1ccccc1)[C@@H]1C[C@@H]1F 98181745 OCTBCPYJCKBUPG-JIMOISOXSA-N 221.275 2.707 0 40 BFAB O[C@@H]1c2ccccc2[C@@H](O)[C@@H]2[C@@H]1[C@H]1C=C[C@H]2CC1 100516564 CXKDRWRWLKDGTN-ZAXXHLPPSA-N 242.318 2.595 0 40 BFAB CCOC(=O)CSCc1ccc(F)cc1 105659372 PSLNEIWZAKVVTR-UHFFFAOYSA-N 228.288 2.622 0 40 BFAB C[C@@H]1CCCCN1CCN1CCCC[C@H]1C 246681660 HFJJHXUCQWRVQD-ZIAGYGMSSA-N 224.392 2.735 0 40 BFAB CCCN1CCN(CCSC(C)(C)C)CC1 252511319 ZYBXWWYOLSIZOF-UHFFFAOYSA-N 244.448 2.546 0 40 BFAB FC(F)(F)CCn1ccc(C2CC2)n1 408716512 NUJTZIYYUIRHJV-UHFFFAOYSA-N 204.195 2.713 0 40 BFAB C[C@@H](O)C1CC(COCc2ccccc2)C1 584600671 WBHXFYNRMMEHRT-LMWSTFAQSA-N 220.312 2.610 0 40 BFAB COC(=O)c1cc(F)c(OC(C)C)cc1F 725239959 NGHXQJDSZXOSJR-UHFFFAOYSA-N 230.210 2.539 0 40 BFAB CC(=O)NCc1cc(-c2ccoc2)cs1 1775969695 GQPFNTCVLDOHCX-UHFFFAOYSA-N 221.281 2.644 0 40 BFAB CC[C@H](C(C)=O)C(=O)Nc1ccccc1C 141583 XKFOZGNKUAYESR-LLVKDONJSA-N 219.284 2.549 0 40 BFAB CCCCCC[C@@H](C)O[C@H]1CCS(=O)(=O)C1 5297689 DIJAYZRTHWOLAU-NEPJUHHUSA-N 248.388 2.549 0 40 BFAB Nc1ccccc1CNC(=O)Nc1ccccc1 5589754 DREHVVXPVYUANG-UHFFFAOYSA-N 241.294 2.591 0 40 BFAB CCOC(=O)[C@H]1Sc2ccccc2N=C1C 5831004 VHZZXIZQFBTJEA-NSHDSACASA-N 235.308 2.816 0 40 BFAB O=C1CCCc2c1cnn2-c1ccc(F)cc1 6755155 UDCUZAJVQJQLLW-UHFFFAOYSA-N 230.242 2.530 0 40 BFAB CNC(=S)NC[C@H](C)c1cc(C)ccc1C 7981179 SULVJSOUPAEIIG-NSHDSACASA-N 236.384 2.501 0 40 BFAB CC1(C)C=Cc2c(c3ccccc3[nH]c2=O)O1 8579393 PXNMNABLQWUMCX-UHFFFAOYSA-N 227.263 2.712 0 40 BFAB biogenic,in-vitro C[C@H]1CCCN(Cc2cccc(C(=O)O)c2)C1 8730772 BWUVQNUQEWRMLP-NSHDSACASA-N 233.311 2.617 0 40 BFAB C[C@H]1C[C@H](C)CN(Cc2ccccc2C(=O)O)C1 11890750 NMVAWPXCSGVDPE-RYUDHWBXSA-N 247.338 2.863 0 40 BFAB CCCC[C@H](CC)C(=O)N1C[C@H](C)O[C@@H](C)C1 16972622 MVHPIEABOOAVTC-AVGNSLFASA-N 241.375 2.839 0 40 BFAB Cc1ccccc1[C@H](C)NC(=O)c1ccncc1 17963450 MKDBYSJXHUYIBN-LBPRGKRZSA-N 240.306 2.881 0 40 BFAB Nc1ccc(NC(=O)c2cccs2)c(F)c1 20157286 JKELVGWSHPOLBH-UHFFFAOYSA-N 236.271 2.722 0 40 BFAB C[C@@H](NC(=O)[C@@H]1CC=CCC1)c1ccco1 25260714 CJUPUXDQSVWOJO-GHMZBOCLSA-N 219.284 2.813 0 40 BFAB Cc1occc1C(=O)N(C)Cc1cccc(F)c1 32739286 BIGVQQQEDAEVMD-UHFFFAOYSA-N 247.269 2.999 0 40 BFAB CN(C(=O)c1cccnc1)C1CCCCCC1 32857942 JLPAMHKNLMNMCU-UHFFFAOYSA-N 232.327 2.876 0 40 BFAB CCOC(=O)Cc1nc(Cl)cc2ccccc12 34519955 WYLOJIDTEWMKKS-UHFFFAOYSA-N 249.697 2.994 0 40 BFAB Cc1ccc(O[C@@H]2CCC[C@H]2O)cc1C 37695520 SCDOZTYJHRZCLM-CHWSQXEVSA-N 206.285 2.596 0 40 BFAB C[C@@H](Nc1nc2ccccc2o1)[C@H]1CCCO1 37998871 QBGNQXMVEOBHOP-MWLCHTKSSA-N 232.283 2.807 0 40 BFAB O=C(OC1CCCCC1)C(=O)c1ccccc1 38221711 SSWKNTIPWRBSNQ-UHFFFAOYSA-N 232.279 2.745 0 40 BFAB CN(C(=O)CC[C@@H]1CCCO1)c1ccccc1 40506393 XOALGKAFIJQYDA-ZDUSSCGKSA-N 233.311 2.609 0 40 BFAB Cc1ccc(OCC(=O)N[C@H](C)C(C)C)cc1C 41104080 GZSXAZAMZFCULR-CYBMUJFWSA-N 249.354 2.843 0 40 BFAB CCOc1ccc([C@H](CO)N2CCCCC2)cc1 41303724 GHOCMNIBXIVJIX-HNNXBMFYSA-N 249.354 2.605 0 40 BFAB CCN(Cc1ccco1)C(=O)Nc1cccnc1 42310420 SLFUTLVXFSFVHL-UHFFFAOYSA-N 245.282 2.729 0 40 BFAB C[C@@H]1CCc2cc(C(=O)O)c(Cl)nc2C1 49820281 WKHBTWMIMRFJJF-ZCFIWIBFSA-N 225.675 2.558 0 40 BFAB CCC1(CC)C(=O)OC2(CCCCC2)OC1=O 59488097 JZLGRCDJGKSXNP-UHFFFAOYSA-N 240.299 2.553 0 40 BFAB OC[C@H]1C[C@@H]1c1cccc(Br)c1 62720175 HNPYNZPAPFEJFT-PSASIEDQSA-N 227.101 2.545 0 40 BFAB c1sc2c(c1CNC1CC1)CCCC2 85396194 MQBJIWGDVDXGMR-UHFFFAOYSA-N 207.342 2.879 0 40 BFAB CC(C)OCc1cccc2c1OC(F)(F)O2 91252119 NDLJXSUYLCMWJP-UHFFFAOYSA-N 230.210 2.933 0 40 BFAB CC[C@H](O)CN(CC)[C@@H](C)c1cccc(O)c1 96455331 WHLXZVWAUHGXSD-AAEUAGOBSA-N 237.343 2.546 0 40 BFAB OCc1cccc(F)c1OCc1ccccc1 144033743 YBGUZEDVAZYDAH-UHFFFAOYSA-N 232.254 2.897 0 40 BFAB CCOC(=O)CCc1c[nH]c2c(C)cccc12 174055118 XLMFJXHDZIVCMQ-UHFFFAOYSA-N 231.295 2.972 0 40 BFAB N[C@H]1CCC[C@@H]1Nc1ccc(Cl)cc1 218681786 JVZLGJXRHMGGEX-QWRGUYRKSA-N 210.708 2.632 0 40 BFAB O=C(NC(=S)c1ccccc1)N1CCCCC1 222950664 ICVMRXMNKFTNTJ-UHFFFAOYSA-N 248.351 2.558 0 40 BFAB C[C@@H]1c2ccccc2N[C@H]2CCOC[C@@H]21 252481405 CKNOUHZRZPFKDC-XWIASGKRSA-N 203.285 2.621 0 40 BFAB O=C(N[C@@H]1CCC[C@@H]1F)c1cc2ccccc2[nH]1 334398364 DDACJGBFAXXTGE-CMPLNLGQSA-N 246.285 2.788 0 40 BFAB OC1C2CC3(Cl)CC1CC(Cl)(C2)C3 2134791439 JPZIRXNNLGSLHR-UHFFFAOYSA-N 221.127 2.526 0 40 BFAB Cc1csc(N(C)CCc2ccncc2)n1 2298048627 FIXAONPRPRJMDW-UHFFFAOYSA-N 233.340 2.525 0 40 BFAB C[C@H]1CCCc2sc3ncn4ncnc4c3c21 507118 LXWVEQIRZPPWES-ZETCQYMHSA-N 244.323 2.779 0 40 BFAB FC(F)Sc1nc2ccccc2[nH]1 531585 GUCODYJAVBMOPG-UHFFFAOYSA-N 200.213 2.878 0 40 BFAB in-vitro c1c[nH]c([C@@H]2Nc3ccccc3CO2)c1 1592868 SWDRSDFYFSKCSE-GFCCVEGCSA-N 200.241 2.656 0 40 BFAB CCC(=O)[C@@H](CCN(C)C)c1ccccc1 1593288 ZFQTWPRJPYNFEC-ZDUSSCGKSA-N 219.328 2.701 0 40 BFAB Cc1nc2c(ccc3nc(N)sc32)s1 2455290 UCLUWGOFEQZGBZ-UHFFFAOYSA-N 221.310 2.797 0 40 BFAB in-vitro CCC[C@H](C)NC(=O)[C@@H](C)Oc1ccccc1 2856639 XKBSFTRUJWQJAH-NWDGAFQWSA-N 235.327 2.759 0 40 BFAB COc1cccc(-n2cc[nH]c2=S)c1 3346439 OYPIEMPXXPPBHS-UHFFFAOYSA-N 206.270 2.543 0 40 BFAB in-vitro COc1cccc(CNC(=O)c2cccs2)c1 3419905 NUIYOQQHFRWQOP-UHFFFAOYSA-N 247.319 2.687 0 40 BFAB N[C@H](c1ccc(Br)cc1)C1CC1 3739285 CFTNYXDVHSKCKL-JTQLQIEISA-N 226.117 2.859 0 40 BFAB CCCc1nnnn1C12CC3CC(CC(C3)C1)C2 5052712 QKDUVPARXZFARB-UHFFFAOYSA-N 246.358 2.551 0 40 BFAB COc1ccc(C2=NO[C@@H]3[C@H]4CC[C@H](C4)[C@H]23)cc1 5305842 YITZJAMHSVPAQQ-NDPMZMCLSA-N 243.306 2.844 0 40 BFAB Cc1cccc(NC(=O)c2ccccc2O)c1 5418798 MRVOFXWTGKUCRX-UHFFFAOYSA-N 227.263 2.953 0 40 BFAB Cc1cc(OCC(F)(F)C(F)F)ccc1N 12395209 XOKZXBIERVEWBO-UHFFFAOYSA-N 237.196 2.856 0 40 BFAB C[C@H](NC(=O)c1ccoc1)c1cccs1 13019605 WAVHKSKIUZGYNJ-QMMMGPOBSA-N 221.281 2.832 0 40 BFAB Fc1cc(Cl)ccc1OC[C@@H]1CCCNC1 14631369 BPTMSWAKKHHNQI-SECBINFHSA-N 243.709 2.858 0 40 BFAB C[C@H]1CCCC[C@H]1NCc1ccccn1 19957017 FOZLLACWSWHDHX-WCQYABFASA-N 204.317 2.750 0 40 BFAB CCCCC(=O)[C@H](CCC)C(=O)OCC 22065616 DUPHRBMRCNWSGR-JTQLQIEISA-N 214.305 2.725 0 40 BFAB in-vitro Clc1ncnc2c1sc1ncsc12 34081027 SASZSVYGPZFBQV-UHFFFAOYSA-N 227.701 2.954 0 40 BFAB Nc1cccc(-c2noc(-c3ccco3)n2)c1 35697091 VKGMYJQZHNGBEU-UHFFFAOYSA-N 227.223 2.579 0 40 BFAB Cc1cc(=O)c2cc(C(C)C)ccc2[nH]1 37412911 TYBYRPVNZZTUPP-UHFFFAOYSA-N 201.269 2.960 0 40 BFAB Cc1ccccc1NC(=O)[C@@H](C)OCC(C)C 40521122 QYRSETIZDZOFAJ-GFCCVEGCSA-N 235.327 2.995 0 40 BFAB COc1ccccc1SCC1CCNCC1 43498256 NAOUAOQQOHUGFL-UHFFFAOYSA-N 237.368 2.787 0 40 BFAB NCC1(c2cc(Cl)cc(Cl)c2)CC1 72206794 INJGOQSDUYRJGU-UHFFFAOYSA-N 216.111 2.984 0 40 BFAB COc1cc2nc(N)sc2cc1Cl 75624685 SCONAVRFGOZCTI-UHFFFAOYSA-N 214.677 2.541 0 40 BFAB CCc1ccc(-c2cc[nH]c2C(=O)O)cc1 77307103 FQVZORUHULQLSB-UHFFFAOYSA-N 215.252 2.942 0 40 BFAB Cc1[nH]c(-c2cccc(F)c2)cc1C(=O)O 77327500 HPCUBUIXHXPBHZ-UHFFFAOYSA-N 219.215 2.827 0 40 BFAB CN(Cc1ccccn1)c1ncccc1Cl 91456381 ZNPXTBHMEBTFAO-UHFFFAOYSA-N 233.702 2.766 0 40 BFAB Oc1cc(Br)ccc1-c1ncc[nH]1 95616726 DMARJHVWFFDMSN-UHFFFAOYSA-N 239.072 2.545 0 40 BFAB CCCCNc1cc(-c2cccs2)nc(N)n1 96319446 VKGFKAFFSJOUIS-UHFFFAOYSA-N 248.355 2.999 0 40 BFAB CC[C@H](SC[C@@H](C)c1ccccc1)C(N)=O 96496212 XHXWFWMXSCAPCI-PWSUYJOCSA-N 237.368 2.787 0 40 BFAB CCOc1cc(CO)cc2ccccc12 96527817 XRWKIKLFMPLJJW-UHFFFAOYSA-N 202.253 2.731 0 40 BFAB Cc1cnc(COC(=O)C2=CCCCCC2)cn1 97164132 BQPXERKNGAIFBP-UHFFFAOYSA-N 246.310 2.719 0 40 BFAB O=C(Nc1ccc(F)cn1)c1ccsc1 103015115 QYEFRUORMKIACO-UHFFFAOYSA-N 222.244 2.535 0 40 BFAB CCCn1cc2c(Cl)nc(Cl)nc2n1 201209643 GLSLJHOHPXOUAV-UHFFFAOYSA-N 231.086 2.543 0 40 BFAB CN1CCC[C@H]1c1cccc(NCC(F)F)n1 205697958 SXTPPMITMCYLNV-JTQLQIEISA-N 241.285 2.525 0 40 BFAB Cc1cccc(N[C@H]2CCCC[C@@H]2N)c1C 218863959 AOGHWPXCEZQQLB-JSGCOSHPSA-N 218.344 2.985 0 40 BFAB FC(F)(F)c1cccc(N2CCSCC2)n1 299481454 CPDVRLPYIUAJQW-UHFFFAOYSA-N 248.273 2.654 0 40 BFAB O=C(NCc1ccc(-c2ccoc2)o1)C1CC1 575610448 NBVZSTGVBWOCMF-UHFFFAOYSA-N 231.251 2.566 0 40 BFAB COC(=O)[C@@H]1C[C@H]1c1cc(C)ccc1C 1857793779 OGGDPOQPNXBRPN-NWDGAFQWSA-N 204.269 2.580 0 40 BFAB C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccco1 340599 QUWXLHIGIJVNOV-NXEZZACHSA-N 207.273 2.683 0 40 BFAB Cc1nnc(-c2ccccc2)nc1Cl 1397784 NRKLLOFQIYLIFB-UHFFFAOYSA-N 205.648 2.500 0 40 BFAB Cc1ccccc1Nc1cc(Cl)nc(N)n1 1679440 UZRJVIKDSYXANQ-UHFFFAOYSA-N 234.690 2.764 0 40 BFAB CCOC(=O)c1ccc([C@H]2CCCC(=O)C2)o1 2514088 JKTUNBZVCTWKOL-VIFPVBQESA-N 236.267 2.683 0 40 BFAB Cc1ccn(Cc2c[nH]c3ccccc23)n1 3132780 BPURKJVVRATFES-UHFFFAOYSA-N 211.268 2.721 0 40 BFAB O=C(c1cc2ccccc2[nH]1)N1CCCCC1 7911351 COUDZEQUWDSUCD-UHFFFAOYSA-N 228.295 2.794 0 40 BFAB Cc1cc(NC(=O)N[C@@H](C)CCC(C)C)no1 8328418 BHQBWNFKHTVMEA-VIFPVBQESA-N 239.319 2.929 0 40 BFAB Cc1ncc(C(=O)Nc2ccccc2C)c(C)n1 15730154 IGEYLKOEKMFYCB-UHFFFAOYSA-N 241.294 2.654 0 40 BFAB CC(C)c1cc(N)c(O)c(Br)c1 20134795 LZQSWAUSWFHENA-UHFFFAOYSA-N 230.105 2.860 0 40 BFAB c1ccc(-c2ccn3c(n2)nc2ccccc23)nc1 32102173 BAJLMFWZNSFDQB-UHFFFAOYSA-N 246.273 2.945 0 40 BFAB O=C(Nc1ccncc1)Oc1ccccc1 36056283 ASYPRKQJWDKLCV-UHFFFAOYSA-N 214.224 2.693 0 40 BFAB CC(C)(O)Cc1ccccc1Br 37463549 UXQJCRYQCNOUMH-UHFFFAOYSA-N 229.117 2.763 0 40 BFAB in-vitro CCCCn1ccnc1-c1cccc(N)c1 37471397 LRHJJGOYWNDWNP-UHFFFAOYSA-N 215.300 2.932 0 40 BFAB O=C1O[C@H](c2ccccc2)C(=O)c2ccccc21 38841824 XCHGJUZNPCZXLL-CQSZACIVSA-N 238.242 2.781 0 40 BFAB O=C(Nc1cccc2cn[nH]c12)c1ccccc1 39551560 FZJOQLWVHCOVSE-UHFFFAOYSA-N 237.262 2.815 0 40 BFAB CNC(=O)c1ccccc1COc1ccccc1 40458880 ZNPVJOYRUWUJLO-UHFFFAOYSA-N 241.290 2.625 0 40 BFAB Fc1ccc(COCC[C@@H]2CCCNC2)cc1 42771948 BDWYDHHGWAIRGB-LBPRGKRZSA-N 237.318 2.732 0 40 BFAB CCCc1ccccc1OC[C@H]1CCNC1 42772646 ATZKJMUABOOHPV-LBPRGKRZSA-N 219.328 2.627 0 40 BFAB Cc1ccc([C@H](N)CC(=O)O)c2ccccc12 44216434 GYBKJAOPTAJRMT-CYBMUJFWSA-N 229.279 2.623 0 40 BFAB CCNC(=O)[C@H](C)Oc1cccc(C(C)C)c1 48374717 WSHBOENTYOWABA-NSHDSACASA-N 235.327 2.713 0 40 BFAB CNC[C@@H]1C[C@@H]1c1ccc(Br)cc1 54588601 KWWGPEVMZRIDED-GXSJLCMTSA-N 240.144 2.772 0 40 BFAB O=C(O)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 62494842 UKRIUIRBTVRYAH-BDAKNGLRSA-N 230.185 2.894 0 40 BFAB CCCCN1CCCC2(CCNCC2)CC1 67513984 RVXNXRWTMIALHA-UHFFFAOYSA-N 224.392 2.642 0 40 BFAB C[C@H](c1ccco1)N(C)C(=O)c1ccco1 71866979 SGYVYVLMPADUDL-SECBINFHSA-N 219.240 2.706 0 40 BFAB CCCN1CCC[C@@H]1c1ccc(OC)nc1 72211666 DDWBXFINMMRYCA-GFCCVEGCSA-N 220.316 2.637 0 40 BFAB CC(C)CN1CCCC[C@H]1c1ccc(N)nc1 72212383 BHTZXZABXIYFRS-ZDUSSCGKSA-N 233.359 2.847 0 40 BFAB CCN1CCC[C@@H]1c1cnc(S)cc1C 72218311 NRHSZPMBMGYJGW-LLVKDONJSA-N 222.357 2.836 0 40 BFAB C[C@H](N)c1c(F)cccc1Br 75845007 SNIBBOIUVLCOJX-YFKPBYRVSA-N 218.069 2.608 0 40 BFAB Cc1cc(NCc2ccccc2C)no1 83343789 UMHJTPFFZYNSNK-UHFFFAOYSA-N 202.257 2.904 0 40 BFAB Cc1noc(CN(CC2CC2)c2ccccc2)n1 84139044 DXFSPROMVHEPAG-UHFFFAOYSA-N 243.310 2.795 0 40 BFAB CC(C)(C)c1ccc(C(=O)O)c(Cl)n1 84324394 ISBSSLLKVDMOQI-UHFFFAOYSA-N 213.664 2.731 0 40 BFAB in-vitro O=C(O)c1cc(OCC2CC2)c2ccccc2n1 88611607 ACFSKSIOOXUJRL-UHFFFAOYSA-N 243.262 2.722 0 40 BFAB in-vitro Cc1cc(Nc2c[nH]nc2C)nc(C(C)C)n1 89599298 VWZKBNALJPVKFB-UHFFFAOYSA-N 231.303 2.684 0 40 BFAB O=Cc1cccc(CN2CCCCCC2)c1 95738921 OEKCHUXGLYFJOL-UHFFFAOYSA-N 217.312 2.875 0 40 BFAB CCOC(=O)c1[nH]c2cc(OC)ccc2c1C 96345916 GXJBZLXGCFZBAZ-UHFFFAOYSA-N 233.267 2.662 0 40 BFAB CC[C@@H](S[C@@H](C)C(N)=O)c1ccccc1 96433445 SPKWWCUKZDHUEG-GXSJLCMTSA-N 223.341 2.745 0 40 BFAB O=C(Nc1ccc(F)cc1)[C@H]1C[C@H]2C=C[C@H]1C2 102265218 GVLZCAKYXUDHDI-KWBADKCTSA-N 231.270 2.976 0 40 BFAB Clc1ccc2cccnc2c1Cn1ccnn1 128061317 MOZYSTOKXQRXGP-UHFFFAOYSA-N 244.685 2.528 0 40 BFAB Cc1cccc(-n2cccc2CCC(=O)O)c1 223752557 PAEPODZQGVFQIK-UHFFFAOYSA-N 229.279 2.803 0 40 BFAB CC1(C)CC(=O)[C@H]2C(C3CCCC3)=NN[C@@H]2C1 228927458 IUNMDJKZDAYWDP-PWSUYJOCSA-N 234.343 2.510 0 40 BFAB Cc1cc(-c2ccccc2C)n([C@H](C)CO)n1 634617819 YPLDCFUPZHANHA-GFCCVEGCSA-N 230.311 2.720 0 40 BFAB Cc1nc2c(c(Nc3ncccc3C)n1)CCC2 825269040 XYQSZXNBMFGWKA-UHFFFAOYSA-N 240.310 2.721 0 40 BFAB COC(=O)C=Cc1ccccc1C(F)(F)F 1911690316 FKNSNJMXPAZNKV-UHFFFAOYSA-N 230.185 2.892 0 40 BFAB CCOC(=O)c1c(C)n(C)c2cc(C)c(O)cc12 34437 XYYQSFYSCZYQLJ-UHFFFAOYSA-N 247.294 2.677 0 40 BFAB CCn1c(=O)sc2cccc(Cl)c21 39797 LDELBJIBUBHFQV-UHFFFAOYSA-N 213.689 2.736 0 40 BFAB CC(=O)COc1ccc(Cl)cc1Cl 150743 MQYQBKDURLWQTF-UHFFFAOYSA-N 219.067 2.961 0 40 BFAB COc1ccc(Cc2ccccc2O)cc1 1562032 ALZWVPLMSWPDQR-UHFFFAOYSA-N 214.264 2.992 0 40 BFAB Cc1cccn2cc(-c3cccc(N)c3)nc12 2455773 WQRLDBJIXDSJHU-UHFFFAOYSA-N 223.279 2.892 0 40 BFAB in-vitro Clc1cccc(Nc2ncnc3[nH]cnc23)c1 4106423 COGLJXZAQUPABI-UHFFFAOYSA-N 245.673 2.750 0 40 BFAB CC1(C)Cc2ccccc2[C@@](C)(Cl)C(=O)N1 5741708 LFFIVZOKZLZXCX-CYBMUJFWSA-N 237.730 2.592 0 40 BFAB O=C(Nc1cccc2ccccc12)[C@H]1CCCO1 6342550 FIZSHMVDQNLWQD-CQSZACIVSA-N 241.290 2.957 0 40 BFAB CCNC(=S)Nc1cc(C)ccc1C 7522011 AVEUTYHPTNEWDY-UHFFFAOYSA-N 208.330 2.610 0 40 BFAB CC(C)CN[C@H](C(=O)O)c1c[nH]c2ccccc12 12322439 GZJPKAROFVPEOU-ZDUSSCGKSA-N 246.310 2.539 0 40 BFAB COc1cccc(NC(=O)[C@@H]2CC=CCC2)c1 12918758 BMIXXPRORDZBJB-LLVKDONJSA-N 231.295 2.990 0 40 BFAB CCOc1ccc([C@@H](C)NC(=O)OC)cc1 13329284 MWBUXXDVDRQLRY-SECBINFHSA-N 223.272 2.502 0 40 BFAB CCS(=O)(=O)Nc1ccccc1C(C)(C)C 13331771 PBEGFPSPCOJKSM-UHFFFAOYSA-N 241.356 2.746 0 40 BFAB Cc1ccc(C(=O)NC2CC2)cc1-n1cccc1 14263057 PVXJOQHAFOMSQW-UHFFFAOYSA-N 240.306 2.678 0 40 BFAB Fc1ccc(O[C@@H]2CCCNC2)cc1Cl 14631680 NPTBCZJXGMWMFA-SECBINFHSA-N 229.682 2.610 0 40 BFAB in-vitro Nc1cnccc1Nc1ccc(F)cc1 20585565 YWFXJNSRFLGLHP-UHFFFAOYSA-N 203.220 2.547 0 40 BFAB in-vitro CC[C@@H]1CCCCN1CCC1CCNCC1 26515075 LRWJBGOTDCCCSZ-CQSZACIVSA-N 224.392 2.641 0 40 BFAB CSCC(=O)N(C)[C@H]1CCCc2ccccc21 32676267 OGRZOPAZEWXMKM-ZDUSSCGKSA-N 249.379 2.885 0 40 BFAB Ic1c[nH]c2ccccc12 33426782 FQVDXLYJTMHMCG-UHFFFAOYSA-N 243.047 2.773 0 40 BFAB in-vitro COc1cccc(NC(=O)N(C)[C@H](C)C2CC2)c1 36395935 LHUUZIJEOUWJSU-SNVBAGLBSA-N 248.326 2.957 0 40 BFAB COc1ccc([C@@H](O)c2ccc(C)o2)cc1F 40263115 YWVPAIJRQXTBAM-CYBMUJFWSA-N 236.242 2.817 0 40 BFAB Cc1cccc([C@@H](CO)N2CCCCC2)c1 41232815 DFLAJVIMSQZQSE-CQSZACIVSA-N 219.328 2.514 0 40 BFAB CCSC(=N)Nc1ccc(OC)c(OC)c1 42667188 LSBLGPHYOAUVCL-UHFFFAOYSA-N 240.328 2.804 0 40 BFAB Cc1ccc(Cl)c(CC(=O)O)c1Cl 44374494 HOCVCTUWTHMKQR-UHFFFAOYSA-N 219.067 2.929 0 40 BFAB Cc1nn(C)c2c(Cl)nc(C3CCC3)nc12 45921576 INCPDRJPOMZFKP-UHFFFAOYSA-N 236.706 2.593 0 40 BFAB O=C(O)c1csc(-c2ccc(F)cc2F)n1 55265973 OBLNKILQDNAOEV-UHFFFAOYSA-N 241.218 2.787 0 40 BFAB NC1(c2ccccc2Br)CCC1 55336245 ODEDRBYIFZGIBB-UHFFFAOYSA-N 226.117 2.787 0 40 BFAB in-vitro Cc1noc(C)c1CN(C)[C@@H](C)c1ccncc1 65504312 FKNFOYKNEJBAEB-NSHDSACASA-N 245.326 2.879 0 40 BFAB CC[C@@H](C)C(=O)N[C@@H](C)Cc1cccs1 69413857 HVRGWWISBYQUMV-ZJUUUORDSA-N 225.357 2.841 0 40 BFAB Cc1nn(-c2cc(Cl)ncn2)c2c1CCCC2 70451480 SVDGWQGRJBHHFJ-UHFFFAOYSA-N 248.717 2.503 0 40 BFAB COC(=O)c1ccc(-c2ccc(F)cc2)[nH]1 72226045 JKQKWENQHUDLIU-UHFFFAOYSA-N 219.215 2.607 0 40 BFAB Cn1cncc1CSc1nc2ccccc2o1 72312925 RONJOTHTUHKRIQ-UHFFFAOYSA-N 245.307 2.854 0 40 BFAB Cc1cc(CN2C[C@H]3CCCN3C[C@@H]2C)oc1C 72324598 FLHGHJKACAGEMC-GXTWGEPZSA-N 248.370 2.565 0 40 BFAB C[C@H](NC(=O)OC(C)(C)C)c1ccc(F)cn1 77011303 NYGTZRSBDZWBCF-QMMMGPOBSA-N 240.278 2.806 0 40 BFAB CC(=O)c1ccccc1C(=O)N[C@@H]1CCC[C@@H]1C 87313305 USVLYGPGZXKQSL-IINYFYTJSA-N 245.322 2.808 0 40 BFAB CC[C@](C)(O)[C@@H]1CC(c2ccc(C)cc2)=NO1 96319414 WJKSDILBKCMZDO-KBPBESRZSA-N 233.311 2.649 0 40 BFAB Nc1ccccc1OCCCC(F)(F)F 96509104 OEXQNGYRMSCZDM-UHFFFAOYSA-N 219.206 2.990 0 40 BFAB CCCn1cc(NC2CC(C(F)F)C2)cn1 97162440 WYWHHHPXFQRZHG-UHFFFAOYSA-N 229.274 2.749 0 40 BFAB c1ccc(-c2cc(Cn3cccn3)on2)cc1 98013742 FBZYSWNKAIVRAW-UHFFFAOYSA-N 225.251 2.586 0 40 BFAB CC(C)c1cccc2c1ncc1c(=O)o[nH]c12 100887079 TWECSQUTMMYNNP-UHFFFAOYSA-N 228.251 2.793 0 40 BFAB CC(C)[C@@H]1OC(=O)[C@H]2CC[C@@]1(C)OC2(C)C 103211031 VZOMVQNIIPKADB-GBIKHYSHSA-N 226.316 2.532 0 40 BFAB COc1ccc2c(c1)C1[C@@H]3[C@H]4C2[C@@H]2[C@@H]1[C@@H]2[C@@H]43 104952579 XLLZTEORNJNOQZ-XNALAQTJSA-N 210.276 2.628 0 40 BFAB CC(=O)OCC(=O)c1c(C)ccc2ccccc12 165392861 MRMDUINMTIKQBO-UHFFFAOYSA-N 242.274 2.894 0 40 BFAB CC(C)N1CCC[C@@H](c2cccc3nccn23)C1 205688699 MZNDYJJCASIEQY-CYBMUJFWSA-N 243.354 2.922 0 40 BFAB Nc1cccc(CC(=O)Oc2cccc(F)c2)c1 225396762 AYXBRLLUJGQHPA-UHFFFAOYSA-N 245.253 2.556 0 40 BFAB CCc1ccc2oc(-c3ccc[n+](C)c3)nc2c1 226774570 SZZREZMFENKVEY-UHFFFAOYSA-N 239.298 2.882 0 40 BFAB CCN(c1c(C)cccc1C)[C@H](C)C(=O)O 260677459 FVJATGFZMSQYSS-LLVKDONJSA-N 221.300 2.603 0 40 BFAB Cc1ccc(Nc2ncc(C)c(O)n2)cc1 408976396 ARRNUILTGAUTBK-UHFFFAOYSA-N 215.256 2.543 0 40 BFAB CC(=O)Nc1ccc(OC(C)(C)C)cc1 1075 QTNZYVAMNRDUAD-UHFFFAOYSA-N 207.273 2.822 0 40 BFAB in-man COc1cc2c(cc1O)[C@H](CC(C)C)N(C)CC2 1531503 GEHUGSUAESFIIV-ZDUSSCGKSA-N 249.354 2.976 0 40 BFAB biogenic,in-vitro COc1cccc(C2(O)CCCCC2)c1OC 1592185 SUOWBLIXPLKEDZ-UHFFFAOYSA-N 236.311 2.856 0 40 BFAB Cc1nnc(Nc2ccc(Cl)cc2)o1 1637014 WWNCBEMNAZHKPR-UHFFFAOYSA-N 209.636 2.775 0 40 BFAB CCCC[C@@](CC)(CO)[C@H](O)c1ccco1 1697035 NQVJBEBKSHDOLT-OLZOCXBDSA-N 226.316 2.892 0 40 BFAB CC(=O)O[C@H]1c2ccccc2-c2ccc(N)cc21 1706809 BAHKMULJQUPVCF-HNNXBMFYSA-N 239.274 2.902 0 40 BFAB CSCc1cc(C)ccc1NC(C)=O 1869926 WFEWTEHWRPTZQL-UHFFFAOYSA-N 209.314 2.816 0 40 BFAB Clc1ccc(Nc2ncnc3[nH]ncc23)cc1 4877108 YWMOBFXAHDWFSP-UHFFFAOYSA-N 245.673 2.750 0 40 BFAB CCCc1cc(=O)[nH]c(Nc2cccc(F)c2)n1 5625399 XVSABCGCNIOKSH-UHFFFAOYSA-N 247.273 2.605 0 40 BFAB Cc1cc(Cl)nc2nn(CC(F)F)c(C)c12 12398104 FGBLEDWKBBBMFP-UHFFFAOYSA-N 245.660 2.967 0 40 BFAB COc1cccc(NC(=O)C[C@@H]2C=CCC2)c1 12876832 MPKQRJQCYOCUJN-LLVKDONJSA-N 231.295 2.990 0 40 BFAB C[C@@H](NC(=O)c1ccoc1)c1cccs1 13019603 WAVHKSKIUZGYNJ-MRVPVSSYSA-N 221.281 2.832 0 40 BFAB Cc1cc(NC(=O)c2ccc(Cl)s2)on1 13596696 DRJOXPQJOWQCAJ-UHFFFAOYSA-N 242.687 2.950 0 40 BFAB CCc1cccc2c(C=O)cn([C@H](C)C(=O)O)c12 13609187 AUODPLHWPBMIRU-SECBINFHSA-N 245.278 2.662 0 40 BFAB S=c1[nH]cnc2c1ncn2Cc1ccccc1 16970544 XLBDEMIFDOANPN-UHFFFAOYSA-N 242.307 2.537 0 40 BFAB COC[C@H](C)N[C@H](C)c1ccc(C)s1 19905106 QHCWTYGFOKIWFM-WCBMZHEXSA-N 213.346 2.742 0 40 BFAB Cc1ccc2[nH]c(C(=O)NCC3CC3)cc2c1 29648587 LDUUCTKWJLRQQN-UHFFFAOYSA-N 228.295 2.616 0 40 BFAB CCC(=O)N1CCc2sccc2[C@@H]1C 32781380 LLXRDMWLGMJRAA-QMMMGPOBSA-N 209.314 2.604 0 40 BFAB C[C@H]1c2ccsc2CCN1C(=O)C1CC1 32781419 PFDOIQIRVHGUAZ-QMMMGPOBSA-N 221.325 2.604 0 40 BFAB CCOc1ccc(CC[C@@H](C)NC)cc1 34821330 RCYGEEAPZLJPGZ-LLVKDONJSA-N 207.317 2.626 0 40 BFAB C[C@H](CO)N[C@H]1CCCC[C@@H]1C(C)(C)C 35603638 BQGYIJXCKRVMCN-WOPDTQHZSA-N 213.365 2.562 0 40 BFAB O=C(NCc1ccccc1)[C@H]1CC=CCC1 40457519 NYFZHOMYYBOKHW-ZDUSSCGKSA-N 215.296 2.659 0 40 BFAB CCOC(=O)c1ccc(OC)c(C(F)(F)F)c1 44200891 IYGJWSZIZFKJAS-UHFFFAOYSA-N 248.200 2.891 0 40 BFAB Cc1ccc([C@H](O)c2ccccn2)c(C)c1 55235731 PEBPNVOGXNQXED-AWEZNQCLSA-N 213.280 2.780 0 40 BFAB COc1ccccc1CN(C(=O)C1CC1)C1CC1 55674949 FQVQVCYFSQSNTC-UHFFFAOYSA-N 245.322 2.596 0 40 BFAB Brc1cccc(C[C@@H]2CCNC2)c1 57955532 IFVYQVBUSIPOTN-JTQLQIEISA-N 240.144 2.601 0 40 BFAB CC[C@H](C)C(=O)Nc1nc(C(C)(C)C)ns1 68072981 BGVVVNFWOUHORV-ZETCQYMHSA-N 241.360 2.820 0 40 BFAB COc1ccc2c(c1Br)CCC2 71784482 BYKKBHQKLIPALR-UHFFFAOYSA-N 227.101 2.946 0 40 BFAB CC(C)CN1CCC[C@@H]1c1cccnc1N(C)C 72212659 NHLDKYKNWHRIKJ-CQSZACIVSA-N 247.386 2.941 0 40 BFAB CCCN1CCC[C@@H]1c1cnc(O)cc1C 72218141 ZFEMYJOQQHGSKV-GFCCVEGCSA-N 220.316 2.643 0 40 BFAB CCN1CCCC[C@@H]1c1cnc(N)c(C)c1 72218456 IDKDRDRGFZTVGQ-GFCCVEGCSA-N 219.332 2.519 0 40 BFAB Cc1cc(CCO)cnc1OCc1ccccc1 72222398 NNNHCTUQTHFZSI-UHFFFAOYSA-N 243.306 2.504 0 40 BFAB CC[C@H](O)CN1CCc2cc(F)ccc2[C@@H]1C 72291968 GVLMHPPHZZJDSC-GWCFXTLKSA-N 237.318 2.516 0 40 BFAB CC1CCC(N(C(=O)NC2CC2)C2CC2)CC1 72311245 LUSCGRCPUBTJAD-UHFFFAOYSA-N 236.359 2.902 0 40 BFAB CC(C)c1cccc(C2(O)CCN(C)CC2)c1 79030449 VNCQRDPCRGWSLL-UHFFFAOYSA-N 233.355 2.723 0 40 BFAB O=C(Nc1ccccc1F)[C@@H]1CCSC1 82324105 YPZIWSWEJDWOKE-MRVPVSSYSA-N 225.288 2.517 0 40 BFAB CC(C)[C@@H]1Nc2cc(Cl)ccc2NC1=O 82361141 YIOSQHYRDWEKAJ-JTQLQIEISA-N 224.691 2.729 0 40 BFAB Cc1ccc([C@@H](O)c2cccc(F)c2)o1 82675814 HRJDYVRADPBPHV-LBPRGKRZSA-N 206.216 2.809 0 40 BFAB CCCn1nc(N)c2cc3cccc(C)c3nc21 89261500 GPFUDJJPLXXBHT-UHFFFAOYSA-N 240.310 2.885 0 40 BFAB CC[C@@H](N)c1cccc(OC(F)F)c1 89262717 DKNMEWXGBFNAJH-SECBINFHSA-N 201.216 2.698 0 40 BFAB O=c1cc(CSc2cccs2)occ1O 89800042 COEINHQNYDPYIJ-UHFFFAOYSA-N 240.305 2.699 0 40 BFAB CC[C@@](C)(O)[C@@H]1CC(c2ccc(C)cc2)=NO1 96319415 WJKSDILBKCMZDO-UONOGXRCSA-N 233.311 2.649 0 40 BFAB CC(C)(N)Cc1ccccc1C(F)(F)F 98214083 HSZVWNUVPAKGJE-UHFFFAOYSA-N 217.234 2.985 0 40 BFAB Cc1c(O)nc2c(Cl)cccc2c1O 142699144 PLYTZSYUDIKHQH-UHFFFAOYSA-N 209.632 2.608 0 40 BFAB CCOC(=O)[C@@H]1C[C@H]1c1ccc(OCC)cc1 211384193 JYVZBDDTALZENF-QWHCGFSZSA-N 234.295 2.752 0 40 BFAB O=C1CCc2cc(S)ccc2N1CC1CC1 218799859 GXBKZCZXUXQAKJ-UHFFFAOYSA-N 233.336 2.665 0 40 BFAB C[C@H]1[C@@H]2CCCC[C@@]2(O)[C@@H]2CCC[C@H]1C2=O 252694096 HZMOLOUVPKADBE-DIACKHNESA-N 222.328 2.543 0 40 BFAB biogenic CC(C)CCNc1cc(C2CC2)nn1C 256052084 LWKCKJMLXGNVLA-UHFFFAOYSA-N 207.321 2.756 0 40 BFAB CC(C)(C)c1ccc(OC2CCC2)nn1 585652690 SNQWKKXWHBTTRI-UHFFFAOYSA-N 206.289 2.705 0 40 BFAB Cc1nc(C(=O)NC2CCCCC2)ccc1F 1889081492 IDWAHZVJQNXKRG-UHFFFAOYSA-N 236.290 2.592 0 40 BFAB CCOC(=O)c1ncoc1-c1ccc(OC)cc1 107949 BVOOGQOLDGZSRE-UHFFFAOYSA-N 247.250 2.527 0 40 BFAB COc1cccc2c(=O)c3c(oc12)CCCC3 1721981 QDBNBLXDLVDZMC-UHFFFAOYSA-N 230.263 2.680 0 40 BFAB biogenic CC(C)(CC(=O)c1cc(F)cc(F)c1)C(=O)O 2378757 OIFCQQPSIVIJDB-UHFFFAOYSA-N 242.221 2.648 0 40 BFAB O=C(NCCSc1ccccc1)c1ccco1 4454578 USCINGPOUFYHLD-UHFFFAOYSA-N 247.319 2.802 0 40 BFAB O[C@H]1CCCC[C@H]1O[C@H]1CCc2ccccc2C1 4804199 URWHCJCJJUVQBA-HRCADAONSA-N 246.350 2.864 0 40 BFAB O=C(CSCc1ccccc1)N1CCCC1 6597325 QNPPICBHYVHNHV-UHFFFAOYSA-N 235.352 2.542 0 40 BFAB Cc1c(N)cccc1N1[C@H](C)CC[C@H]1C 8703835 NJPMMRMJFJFGMA-NXEZZACHSA-N 204.317 2.954 0 40 BFAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)O 8729627 RLQFYNDCHSICJY-SNVBAGLBSA-N 208.257 2.545 0 40 BFAB C[C@@H](NC(=O)N1CCc2ccccc2C1)C1CC1 12921980 MYCDZAVKFICKRT-LLVKDONJSA-N 244.338 2.553 0 40 BFAB c1ccc(SCc2cccnc2)nc1 13282967 HSXDYHXBGMQDNZ-UHFFFAOYSA-N 202.282 2.769 0 40 BFAB C[C@H]1C[C@H]1C(=O)Nc1ccccc1Cl 14373337 JUIGCSWMUCBRRG-JGVFFNPUSA-N 209.676 2.935 0 40 BFAB Nc1cc(F)c(C(F)(F)F)c(F)c1F 15442372 YLHKZEPURJLSBH-UHFFFAOYSA-N 215.096 2.705 0 40 BFAB Cc1ccccc1CN1C[C@@H]2CCCN2C[C@H]1C 19237153 SQOWSENQVLOOAZ-ZBFHGGJFSA-N 244.382 2.664 0 40 BFAB C[C@H]1CCCCCN1CCN1CCCCC1 19365575 YZYCPFNFIWJCEO-AWEZNQCLSA-N 224.392 2.737 0 40 BFAB O=C1c2ccccc2CC[C@@H]1[C@H]1CCCCCN1 19375171 CXDGODKFOPUAJM-HUUCEWRRSA-N 243.350 2.964 0 40 BFAB COc1ccc([C@@H](N)c2cccs2)cc1 19842006 UGYQKUPMLNVCIX-GFCCVEGCSA-N 219.309 2.805 0 40 BFAB c1ccc2c(c1)CCN(CC[C@@H]1CCCCN1)C2 20180442 ICRNZAYOYYOZSQ-INIZCTEOSA-N 244.382 2.577 0 40 BFAB CCOCc1cc(C=O)ccc1Br 21987118 PUISGMXQLYGTLX-UHFFFAOYSA-N 243.100 2.798 0 40 BFAB CC(C)c1cc(C(=O)O)c2c(C3CC3)noc2n1 22173742 BWILLANWXDCUBD-UHFFFAOYSA-N 246.266 2.922 0 40 BFAB CCc1c(-c2cccc(Cl)c2)nn(C)c1N 26511908 VIJSFUPVQHYXCM-UHFFFAOYSA-N 235.718 2.885 0 40 BFAB CCCn1nccc1NC(=O)[C@H]1CC=CCC1 31770746 YAAKWRRNXVQBLB-NSHDSACASA-N 233.315 2.588 0 40 BFAB CC(C)C(=O)N1CCC[C@@H]2CCCC[C@H]21 32903890 WVRYGEVLVWAFDK-NWDGAFQWSA-N 209.333 2.824 0 40 BFAB CN1C(=O)/C(=C/c2ccco2)c2ccccc21 33530986 UIXNBOJLZKFUBU-FMIVXFBMSA-N 225.247 2.797 0 40 BFAB Cc1nc(Nc2ccc(C(=O)O)cn2)sc1C 42573785 CUUBFDFOIBKCTB-UHFFFAOYSA-N 249.295 2.597 0 40 BFAB C[C@H]1C[C@@H]1C(=O)NCCc1cccc(Cl)c1 45601100 REHCTCPTSJTQMA-CABZTGNLSA-N 237.730 2.655 0 40 BFAB COc1ccc(C)cc1[C@@](C)(O)C(C)C 55261526 CBTWCTJAPDQORT-ZDUSSCGKSA-N 208.301 2.867 0 40 BFAB CCN(Cc1cccs1)C[C@@H]1CCCO1 65591228 RQSXPDNENSRPKZ-NSHDSACASA-N 225.357 2.749 0 40 BFAB CCOC(=O)CC1(N(CC)CC)CCCC1 70824182 UTSHJHMKQWDBNB-UHFFFAOYSA-N 227.348 2.594 0 40 BFAB c1ccc2c(c1)C[C@H](CN1CCCCC1)N2 87655848 VXWALNMCVKTVNT-CYBMUJFWSA-N 216.328 2.509 0 40 BFAB Clc1nc([C@@H]2CCCO2)nc2cnccc12 95095852 MUSBCYDPXVXHLR-VIFPVBQESA-N 235.674 2.530 0 40 BFAB CCc1nc(NC(=O)N2CCCC2)sc1C 95962307 FILCFAONOIIZAP-UHFFFAOYSA-N 239.344 2.642 0 40 BFAB C[C@H]1CC[C@H]1COc1ccc(C(=O)O)cc1 96526482 QTIOOMNJFALMMR-ONGXEEELSA-N 220.268 2.810 0 40 BFAB CCc1oc(C(=O)Nc2ccncc2F)cc1C 97032099 QXXRVUNLBXPRNN-UHFFFAOYSA-N 248.257 2.937 0 40 BFAB CC(C)C[C@H](CO)N[C@@H]1CCCC[C@@H]1C 101616210 OKNJQBIBUICFJW-YNEHKIRRSA-N 213.365 2.562 0 40 BFAB Cc1cc(Cl)ccc1C(=O)Nc1cnccn1 125510366 DZOIRUKBUPBEFV-UHFFFAOYSA-N 247.685 2.691 0 40 BFAB Nc1ccc2ncn(C3CCCC3)c2c1 137391024 LBVJERVQDJXKBB-UHFFFAOYSA-N 201.273 2.734 0 40 BFAB CC[C@H](C)OC(=O)OCC(F)(F)F 169795786 KZKHTBXMNNCCEH-YFKPBYRVSA-N 200.156 2.500 0 40 BFAB COCCCSCc1ncccc1C 187862342 DVWWJDUOQWUSOV-UHFFFAOYSA-N 211.330 2.660 0 40 BFAB CC[C@@H](C)NC(=O)Nc1c(C)cccc1OC 195038374 MTEGMDNEMIQAQB-SNVBAGLBSA-N 236.315 2.924 0 40 BFAB Cc1c(N)cc(N)cc1-c1nc2ccccc2o1 216735371 FLHWJRWIUMFCPV-UHFFFAOYSA-N 239.278 2.968 0 40 BFAB CCc1ccc(C=O)n1-c1ccc(C)cn1 225302443 DHVXMALKRMWWCL-UHFFFAOYSA-N 214.268 2.556 0 40 BFAB COC(=O)CCC(=O)c1cccc(C)c1Cl 309196863 UNFZHYLELQRLLM-UHFFFAOYSA-N 240.686 2.784 0 40 BFAB O=C(OCc1ccc(F)cc1)c1ccccn1 409201733 NTWSZZFAOBJYDD-UHFFFAOYSA-N 231.226 2.578 0 40 BFAB CC(=O)c1cc(C(F)(F)F)ncc1Cl 1554182758 VVDNKCXVASDVKZ-UHFFFAOYSA-N 223.581 2.956 0 40 BFAB CC[C@]1(c2cccc(O)c2)CCCCN(C)C1=O 158155 YFSJZMANJNLCOQ-OAHLLOKOSA-N 247.338 2.682 0 40 BFAB in-vitro CC(C)C[C@H](O)C[C@@](C)(O)CC(C)C 1697023 AXJSGBKOGGOYCG-RYUDHWBXSA-N 202.338 2.581 0 40 BFAB CCCNC(=O)Oc1cccc2cccnc12 1752956 RSWLORKFVCEZAX-UHFFFAOYSA-N 230.267 2.733 0 40 BFAB CCC[C@@H](Nc1cccc(C)c1)C(=O)O 8702783 NIGPTZANIBHQAE-LLVKDONJSA-N 207.273 2.660 0 40 BFAB OCc1ccc(COc2ccccc2)cc1 12370755 MTQHORUPINPVTP-UHFFFAOYSA-N 214.264 2.758 0 40 BFAB in-vitro CN(Cc1ccc(F)cc1)C(=O)C(C)(C)C 12979440 AFVGHKJUPYIMFV-UHFFFAOYSA-N 223.291 2.830 0 40 BFAB O=C(Nc1cccc(F)c1)c1ccoc1 16200080 NVXAHEVSWKBHIM-UHFFFAOYSA-N 205.188 2.671 0 40 BFAB Cc1nc2c(C)nn(-c3ccccc3)c2nc1C 16265062 VADIAIUTHGJVLG-UHFFFAOYSA-N 238.294 2.741 0 40 BFAB S=C1[C@@H]2CCC[C@@H]2N=C2c3ccccc3CN12 16756643 NDRSTSINJROXCG-NEPJUHHUSA-N 242.347 2.759 0 40 BFAB CCN[C@H](C(=O)OCC)c1ccc(Cl)cc1 19230086 XBZNQKXFGBLBGI-NSHDSACASA-N 241.718 2.554 0 40 BFAB in-vitro COC(=O)c1cc(C(C)(C)C)ccc1OC 34728796 DPDYIPOXYABUCE-UHFFFAOYSA-N 222.284 2.779 0 40 BFAB CCn1cc(Nc2ncnc3sccc23)cn1 35781453 PWMLCJFNDQSPGI-UHFFFAOYSA-N 245.311 2.651 0 40 BFAB CN(Cc1ccccc1)c1ccc(Cl)nn1 36047697 COMNEAHRVDUXCV-UHFFFAOYSA-N 233.702 2.766 0 40 BFAB Cc1ccsc1I 36439208 MQICPBFMKDHSHJ-UHFFFAOYSA-N 224.066 2.661 0 40 BFAB CC(C)Cc1[nH]nc(N)c1-c1ccccc1F 41260603 LHEISXGJQMDWAK-UHFFFAOYSA-N 233.290 2.997 0 40 BFAB Cc1cnc(SCC(=O)c2ccccc2)nc1 42298067 XISLSSBITLGAIB-UHFFFAOYSA-N 244.319 2.760 0 40 BFAB Cc1cc(F)ccc1[C@H](O)c1ccccn1 55201247 RASXFZJGOUMHHQ-ZDUSSCGKSA-N 217.243 2.611 0 40 BFAB Cc1cc(N)ccc1N1CCCC[C@@H]1C 57363452 NCEKDJRRVDUCNI-NSHDSACASA-N 204.317 2.956 0 40 BFAB Cc1cc(CNc2cc(F)ccc2F)no1 58337854 OEQZHGQEGVTLCW-UHFFFAOYSA-N 224.210 2.873 0 40 BFAB CC(=O)N[C@H](C)c1cc(C)c(F)c(C)c1 95401755 GTIZHCUTGLWZLL-SECBINFHSA-N 209.264 2.640 0 40 BFAB CC[C@@H](NC[C@@H]1CC=CCC1)c1cnn(C)c1 97228318 JPPDOLXTYOMHSS-TZMCWYRMSA-N 233.359 2.817 0 40 BFAB CC1(C)[C@@H]2CC[C@]1(C)[C@H](SC(=N)N)C2 102901030 FZEFQGSAQNAPBA-SOCHQFKDSA-N 212.362 2.828 0 40 BFAB Cc1ccccc1N[C@@H]1CCCC[C@H]1N 115098809 CVXFZOUWYWUPNO-DGCLKSJQSA-N 204.317 2.677 0 40 BFAB O=c1c2sccc2ncn1CC1CCCC1 131862240 HSGCVYUMTYSSMC-UHFFFAOYSA-N 234.324 2.648 0 40 BFAB CCCNC(=S)Nc1c(F)cccc1F 135763299 MOTFCYFEZVXRFL-UHFFFAOYSA-N 230.283 2.661 0 40 BFAB Cc1ocnc1C(=O)O[C@@H]1CC[C@@H](C)[C@H](C)C1 153188321 BAIDLEJPJNDPQY-FXPVBKGRSA-N 237.299 2.965 0 40 BFAB O=C(O)c1ccc2cc(C(F)(F)F)[nH]c2c1 211677890 LHWAMIBVDBIUGW-UHFFFAOYSA-N 229.157 2.885 0 40 BFAB CCCCNCCC[C@@H]1CCCN1CC 218327133 VJKFVRTZMYWALJ-CYBMUJFWSA-N 212.381 2.641 0 40 BFAB C[C@@H](c1ccccc1)n1ccc(CN)c1 223694123 JZHYCNWCLAXZEJ-NSHDSACASA-N 200.285 2.556 0 40 BFAB CCC[C@H](C)NC(=S)Nc1cccnc1 225384491 XLISWUCXTPJCAX-VIFPVBQESA-N 223.345 2.557 0 40 BFAB C[C@H](OCc1ccccc1Cl)[C@@H]1CO1 256055023 YVDQKEWBBOXMPE-KWQFWETISA-N 212.676 2.644 0 40 BFAB CC(C)(C)OC(=O)N1CCc2ccccc2N1 258010017 MXTKFVYBQWQAJU-UHFFFAOYSA-N 234.299 2.807 0 40 BFAB Cc1ccc(-c2noc(C(C)(C)F)n2)cn1 273700118 GQCNZCSGMREDRO-UHFFFAOYSA-N 221.235 2.645 0 40 BFAB Cc1cc(CN)ccc1-c1scnc1C 642882493 CVSMJOFHBYAPBT-UHFFFAOYSA-N 218.325 2.886 0 40 BFAB CN(CC1CCC1)c1ncnc(C2CC2)c1F 1888842597 UOHGULBBXKDRIQ-UHFFFAOYSA-N 235.306 2.729 0 40 BFAB CCC[C@H](C(=O)c1ccccc1)n1cncn1 99057 GIASLOOCOYGRGM-GFCCVEGCSA-N 229.283 2.502 0 40 BFAB c1ccc2[nH]c(-c3ccc4c(c3)OCO4)nc2c1 324214 GRTZXYPGMLGOPL-UHFFFAOYSA-N 238.246 2.959 0 40 BFAB CCCCN(C)C(=O)c1ccc(C)cc1 1691280 WLXWUMYGUXJLFB-UHFFFAOYSA-N 205.301 2.867 0 40 BFAB CC[C@@H](C)NC(=O)/C=C/c1ccc(F)cc1 6115935 KOOJCJQGKBMPMJ-OLKPEBQYSA-N 221.275 2.754 0 40 BFAB c1ccc2c3c([nH]c2c1)[C@H]1CCCN1CC3 6576349 LXJWBHIVLXMHDZ-CYBMUJFWSA-N 212.296 2.861 0 40 BFAB biogenic,in-vitro CC[C@H](C)NC(=O)[C@H](C)Oc1ccc(C)c(C)c1 8049655 DANDDLRGJRTVAQ-STQMWFEESA-N 249.354 2.985 0 40 BFAB Cc1nc(O)ccc1-c1ccc(C(=O)O)s1 8764099 SEHBSLAZKCUCHM-UHFFFAOYSA-N 235.264 2.522 0 40 BFAB Fc1ccc(CSC2=NCCN2)c(Cl)c1 9314107 VCKIKXYNUDKDBZ-UHFFFAOYSA-N 244.722 2.672 0 40 BFAB CCc1ccc([C@@H](O)c2nccn2CC)cc1 9421618 MNJHWZRIUQFARN-CYBMUJFWSA-N 230.311 2.547 0 40 BFAB O=C(Nc1cccc2ncccc12)C1CC1 12346122 ZLEBEXFMYSCVIW-UHFFFAOYSA-N 212.252 2.583 0 40 BFAB Cc1cccc(NC(=O)c2ccsc2)n1 12526713 NTDCUZPEUVRAJS-UHFFFAOYSA-N 218.281 2.704 0 40 BFAB O=C(c1cc(Cl)ccc1O)N1CCCCC1 12978750 DAHVZZJAJMUCLX-UHFFFAOYSA-N 239.702 2.672 0 40 BFAB COc1ccccc1NC(=O)CCc1ccco1 12979225 OVXJKLOKRNKBIJ-UHFFFAOYSA-N 245.278 2.860 0 40 BFAB C/C=C/C=C/C(=O)OCC(=O)c1ccc(C)cc1 13856527 RGOCKCMRUKTMBN-VNKDHWASSA-N 244.290 2.853 0 40 BFAB Cc1ccc(NC(=O)[C@H]2C[C@H]2C)cc1F 15084699 COJLTFCILGNGNW-SCZZXKLOSA-N 207.248 2.729 0 40 BFAB CC(C)(C)Sc1cc(C(=O)O)ccn1 19869581 ZFEKRVIJJMIJBO-UHFFFAOYSA-N 211.286 2.670 0 40 BFAB in-vitro Cc1cc(C)cc(-n2nc3c(c2N)CSC3)c1 26422199 ANMMCTBQGGRPJE-UHFFFAOYSA-N 245.351 2.818 0 40 BFAB CCOC(=O)c1oc(Cl)nc1C(F)(F)F 30678034 FDXRMXXUIRNASG-UHFFFAOYSA-N 243.568 2.524 0 40 BFAB CC1CCN(C(=O)CSC2CCCC2)CC1 32910030 DHGFSTPNSBQPMC-UHFFFAOYSA-N 241.400 2.921 0 40 BFAB CC[C@H](CO)N[C@H]1C[C@H](C)CC(C)(C)C1 34676178 XEXOMIQOZCEMST-TUAOUCFPSA-N 213.365 2.562 0 40 BFAB COc1cccc([C@H](O)c2ccsc2)c1 37464919 JTPPEGQHZODPPZ-LBPRGKRZSA-N 220.293 2.838 0 40 BFAB CCN(CC)C(=O)CCc1ccc(F)cc1 62093690 RMSMOGPOMXYTTQ-UHFFFAOYSA-N 223.291 2.627 0 40 BFAB Cc1noc([C@@H](C)N2CCCCCCC2)n1 65539411 YMMOGAFWNXOODY-SNVBAGLBSA-N 223.320 2.705 0 40 BFAB Cc1ncnc2ccc(Br)cc12 71621253 AQONPSNFIBNMQX-UHFFFAOYSA-N 223.073 2.701 0 40 BFAB in-vitro CC(C)CCN1CCC[C@H]1c1cnn(C)c1 71797226 YFLVKJUDRFFSJZ-ZDUSSCGKSA-N 221.348 2.603 0 40 BFAB CNc1ccc([C@@H]2CCCN2C(C)C)cn1 72212476 FSNBEBIPIJIWLY-LBPRGKRZSA-N 219.332 2.669 0 40 BFAB CCCOc1cc(O)c(C=O)cc1Cl 72219731 KSGBFNMQZIGOFP-UHFFFAOYSA-N 214.648 2.647 0 40 BFAB Cc1cccc([C@H]2CN(C3CCCC3)CCO2)n1 72381178 IHCYGRIDXVKWRF-OAHLLOKOSA-N 246.354 2.706 0 40 BFAB C[C@H]1COc2ccccc2N1C(=O)C1CC=CC1 72532234 YGKFQNHEHMZRES-NSHDSACASA-N 243.306 2.767 0 40 BFAB Oc1ccc(Br)c2ccoc12 84232229 SCKXVTTYIYQZCQ-UHFFFAOYSA-N 213.030 2.901 0 40 BFAB CO[C@H]1CCCC[C@H]1CCNCC1CC1 85396143 YXRGZCMARKYYOE-STQMWFEESA-N 211.349 2.581 0 40 BFAB CCOc1c(Cl)ccc(CCC(=O)O)c1F 91252027 RGAWAGUVLATDIZ-UHFFFAOYSA-N 246.665 2.895 0 40 BFAB COC(=O)c1cccc(-c2cc(C)ns2)c1 91695994 GRVPVFGLQWKWLY-UHFFFAOYSA-N 233.292 2.905 0 40 BFAB CCCOc1ccc(Oc2cn[nH]c2)cc1 95095573 KWJWFGVYWOMMOH-UHFFFAOYSA-N 218.256 2.991 0 40 BFAB CCCCOc1cccc(NCCCO)c1 95411971 RAESDITUZNPEJN-UHFFFAOYSA-N 223.316 2.660 0 40 BFAB FC(F)(F)Sc1ccc(=S)[nH]n1 95918428 MUPUSWDCYWOYHE-UHFFFAOYSA-N 212.221 2.751 0 40 BFAB Cc1cc(OCc2ncc(C(C)(C)C)o2)nn1C 95980754 MRCMQOJYCPDBRO-UHFFFAOYSA-N 249.314 2.593 0 40 BFAB O=C(O)c1cccc(OCCC2CCC2)c1 96511817 VDSLGVVDEJZRAT-UHFFFAOYSA-N 220.268 2.954 0 40 BFAB C[C@@H](NC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2)C(C)(C)C 102758813 QAQHFAXTYBYZJM-NOOOWODRSA-N 221.344 2.749 0 40 BFAB Cc1ccc(NC(=O)Nc2cc(C)n[nH]2)cc1 104449526 FGYSXAXCTLPQGD-UHFFFAOYSA-N 230.271 2.671 0 40 BFAB CC(C)[C@@]1(c2cncc(Br)c2)CO1 217528071 SPVCUPKLMBCVNA-SNVBAGLBSA-N 242.116 2.726 0 40 BFAB CCCOc1c(Cl)cc(OC)cc1C=O 225272899 BSJJSPDZNOTDJI-UHFFFAOYSA-N 228.675 2.950 0 40 BFAB COc1ccc(NC(=O)C2(OC)CCCC2)cc1 225625140 OLEGZLAPOLTHCU-UHFFFAOYSA-N 249.310 2.593 0 40 BFAB OC1(Cc2cc(Cl)ccc2F)CCOCC1 231111910 HZZJHHHJVJAYLG-UHFFFAOYSA-N 244.693 2.563 0 40 BFAB CN(C)CC(F)(F)Sc1ccccc1N 256054647 XEFSUNOYOZWAEU-UHFFFAOYSA-N 232.299 2.515 0 40 BFAB Cc1ccncc1NC(=O)[C@@H]1CC=CCC1 264279529 TXQUCTVNCIFUEY-LLVKDONJSA-N 216.284 2.685 0 40 BFAB Nc1cnc2c(OC(F)(F)F)cccc2c1 713494330 BFWBZSTUHZVAGV-UHFFFAOYSA-N 228.173 2.716 0 40 BFAB O=c1oc(-c2cc3c(s2)CCCC3)ns1 138026 ZDMOIXSMFDLGJV-UHFFFAOYSA-N 239.321 2.704 0 40 BFAB Cc1ccc(C)c(OCC(=O)NC(C)C)c1C 144477 CDWMURFLCPEKLG-UHFFFAOYSA-N 235.327 2.515 0 40 BFAB CN(C)C(=O)Oc1ccc(Br)cc1 1569172 MBXRMKXNASLKHL-UHFFFAOYSA-N 244.088 2.510 0 40 BFAB COC(=O)c1c(-c2ccccc2)cn(C)c1C 1612837 ATTSQWLATWOREI-UHFFFAOYSA-N 229.279 2.787 0 40 BFAB O=C(Nc1ccc(F)cc1)OC[C@H]1CCCO1 1752595 BUABTSPHNJUVLJ-LLVKDONJSA-N 239.246 2.553 0 40 BFAB c1nc2c3c4c(sc3ncn2n1)CCCCC4 2229042 MRIHMAIZMQMERJ-UHFFFAOYSA-N 244.323 2.608 0 40 BFAB O=C(NC1CCCC1)C1=Cc2ccccc2OC1 5034358 NPJCPLWKVXYUTE-UHFFFAOYSA-N 243.306 2.521 0 40 BFAB Cc1ccc(-c2nonc2NC(=O)C(C)C)cc1 5483052 CIPRIGBNRWDFRB-UHFFFAOYSA-N 245.282 2.640 0 40 BFAB CC[C@H](C)NC(=O)c1ccc2ccccc2n1 7003833 SWNCREUURWDINS-JTQLQIEISA-N 228.295 2.763 0 40 BFAB Cc1cc(C)c2occ(CC(=O)O)c2c1 8028745 XLARYQBYEMKMLM-UHFFFAOYSA-N 204.225 2.677 0 40 BFAB COC(=O)N1Cc2cc3ccccc3nc2[C@@H]1C 8628814 ZIXGTBAXXWCIRH-VIFPVBQESA-N 242.278 2.878 0 40 BFAB C[C@H]1CCCCN1Cc1cccc(C(=O)O)c1 8730770 WXELLIXLFHYVQA-NSHDSACASA-N 233.311 2.759 0 40 BFAB NCc1ccc(C(=O)OCc2ccccc2)cc1 13802951 FCGLCSVHSUTHOE-UHFFFAOYSA-N 241.290 2.502 0 40 BFAB Fc1cccc(OCC[C@@H]2CCCNC2)c1 14632361 RAAMEPKFJUMRSF-NSHDSACASA-N 223.291 2.594 0 40 BFAB CC(C)c1ccccc1O[C@H]1CCCNC1 14806958 DFJMRKMGDKDNAX-LBPRGKRZSA-N 219.328 2.941 0 40 BFAB in-vitro CCCNC(=O)N1CCC[C@H]1c1ccco1 15837785 VLTWFFAPLRIRPD-JTQLQIEISA-N 222.288 2.536 0 40 BFAB CCC[C@H](C(=O)O)c1ccc(OC)c(OC)c1 17043810 MLDJDVCULOKBLT-JTQLQIEISA-N 238.283 2.672 0 40 BFAB Cc1c(N)cccc1C(=O)N1C[C@@H](C)C[C@@H](C)C1 17957851 HHKZWFUXXJUEHM-PHIMTYICSA-N 246.354 2.695 0 40 BFAB Cc1cccc(OCC2CCNCC2)c1C 19511918 LVIVHOUVZHMDJO-UHFFFAOYSA-N 219.328 2.682 0 40 BFAB CCCNCc1ccccc1OC(C)C 19738008 VJOUSEKDBOXFMS-UHFFFAOYSA-N 207.317 2.973 0 40 BFAB CC[C@@H](C)C(=O)Nc1ccc2c(c1)CCO2 27126508 OFTIMOCTHJEYTR-SECBINFHSA-N 219.284 2.606 0 40 BFAB O=C(CCc1cccs1)NCc1ccco1 28648510 PWDVTIXTSRPIGW-UHFFFAOYSA-N 235.308 2.590 0 40 BFAB OCc1c(Cl)cnc(Cl)c1Cl 32911404 BLYGPJRHCYGHLG-UHFFFAOYSA-N 212.463 2.534 0 40 BFAB CC(=O)c1cc2cc3c(cc2s1)OCO3 39932616 VJIOMPMVDYFNOV-UHFFFAOYSA-N 220.249 2.833 0 40 BFAB CC(C)CO[C@H](C)C(=O)Nc1ccccc1F 42466214 VFYCHXSZPFAXTD-SNVBAGLBSA-N 239.290 2.825 0 40 BFAB O=C(c1ccc(C2OCCO2)s1)C1CCC1 43210357 MWOQIFQQAAFKLB-UHFFFAOYSA-N 238.308 2.776 0 40 BFAB Cc1ccc(C(=O)CC(C)(C)C(=O)O)cc1 43214218 BDWFFUPISWVWNI-UHFFFAOYSA-N 220.268 2.679 0 40 BFAB O=C(O)/C=C\c1ccccc1OC(F)(F)F 45329475 RTCUAUKXVCMIBS-WAYWQWQTSA-N 232.157 2.683 0 40 BFAB COc1cc2ccc(Cl)nc2cc1OC 57218762 UJSZVZXINMWJKC-UHFFFAOYSA-N 223.659 2.905 0 40 BFAB in-vitro C[C@H]1Oc2ccccc2CN(C2CCCC2)C1=O 64542464 AXOLQVMNOJSJJG-LLVKDONJSA-N 245.322 2.739 0 40 BFAB Nc1ccc(-c2ccc(-n3cccn3)cc2)cn1 65395986 XJJREEKCRMLNBV-UHFFFAOYSA-N 236.278 2.517 0 40 BFAB O=C(O)c1c[nH]cc1-c1nc2ccccc2s1 72207395 GPZSAZVMKJPKJC-UHFFFAOYSA-N 244.275 2.990 0 40 BFAB Cc1nc(N(C)Cc2ccccc2)ccc1C=O 72224426 WTXMPSQXHGPBSX-UHFFFAOYSA-N 240.306 2.839 0 40 BFAB COc1ccc2c(c1OC)CCCN[C@H]2C(C)C 84576319 ROUQRBQOHFZDCR-AWEZNQCLSA-N 249.354 2.937 0 40 BFAB Cc1cnn(CCN[C@H](C)C2CCCCC2)c1 89702494 QXPHZSNTCVMPES-CYBMUJFWSA-N 235.375 2.750 0 40 BFAB O=C(O)CN1CCC[C@H]1c1ccccc1Cl 89813481 QXKBEWDIDQYACI-NSHDSACASA-N 239.702 2.562 0 40 BFAB CC[C@](C)(O)c1cc(C)c(OC)c(C)c1 95739046 YDLHLPHGMAICGE-ZDUSSCGKSA-N 208.301 2.930 0 40 BFAB O=C(NC1CC1)N1CCC2(CCCC2)CC1 98012660 ZWMBXCLKBCIOSN-UHFFFAOYSA-N 222.332 2.515 0 40 BFAB O=C1C[C@@H]2CCC[C@](Br)(C1)C2 117304407 QPXRGUYAQFPXGX-IONNQARKSA-N 217.106 2.673 0 40 BFAB CC[C@H](NN)c1ccc(F)cc1C(F)(F)F 199537070 RVHZUWXFUCTFTH-VIFPVBQESA-N 236.212 2.759 0 40 BFAB CC(C)(C)CC(=O)N1[C@H]2C=CC[C@H]1CC2 208012236 ZEYWEOCWNXWXNY-QWRGUYRKSA-N 207.317 2.742 0 40 BFAB CCCn1cc(NCc2ccnn2C(C)C)cn1 256049813 BNRRGODFODBICV-UHFFFAOYSA-N 247.346 2.683 0 40 BFAB COc1ccc(NC(=O)CC(C)C)c(OC)c1 30449 HAUFNTXBRMMGIF-UHFFFAOYSA-N 237.299 2.688 0 40 BFAB Cc1nc2cc(Cl)c(Cl)cc2n1CCO 395171 IBAQTSVXWRNLIC-UHFFFAOYSA-N 245.109 2.644 0 40 BFAB COc1ccc(C)cc1NC(=O)[C@@H]1C[C@H]1C 5701528 CPKOFABARXXKLF-NXEZZACHSA-N 219.284 2.598 0 40 BFAB CCCCNC(=O)c1cccc(OCC)c1 10471977 UFSLOMOWVCOQMM-UHFFFAOYSA-N 221.300 2.615 0 40 BFAB Cc1cc(=O)c2cc(OC(F)(F)F)ccc2[nH]1 11731152 VDICCNPFZUKSOM-UHFFFAOYSA-N 243.184 2.735 0 40 BFAB Cc1ccc(CN(C)C(=O)c2ccccc2F)o1 12973903 CAOOPRKSHKXQMD-UHFFFAOYSA-N 247.269 2.999 0 40 BFAB c1cnc2c(OC[C@H]3CCCNC3)cccc2c1 14631314 OEOQMFJYEFHQAP-LBPRGKRZSA-N 242.322 2.613 0 40 BFAB Cc1cccc(NC(=O)Nc2ccn(C)n2)c1C 16972917 PCCBKGSYTVPJBS-UHFFFAOYSA-N 244.298 2.681 0 40 BFAB Nc1ccc(Oc2ccc(F)cc2)cn1 19869091 GJYQBDCLIHYVSB-UHFFFAOYSA-N 204.204 2.595 0 40 BFAB in-vitro COc1ccccc1[C@H](C)NC[C@@H]1CCCO1 19963509 JOWYGUNQOPNQSW-RYUDHWBXSA-N 235.327 2.525 0 40 BFAB CCc1ccc(Cc2nnc(SC)o2)cc1 20197177 TVALPDWIZUOPBF-UHFFFAOYSA-N 234.324 2.945 0 40 BFAB CC[C@H](C)[C@@H](N)CN1CCCCCCC1 20266204 YNWDMNUQHPRGFR-STQMWFEESA-N 212.381 2.626 0 40 BFAB CCc1ccccc1O[C@@H](C)C(=O)N[C@@H](C)CC 20459098 LDSJFHDLKIJSMH-RYUDHWBXSA-N 249.354 2.931 0 40 BFAB Cc1cc(-c2nc(C(C)C)no2)ccc1N 21813799 WGLCGUHZONOZGY-UHFFFAOYSA-N 217.272 2.751 0 40 BFAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N(C)C 33026216 MNZWFADELBONBQ-MRVPVSSYSA-N 243.759 2.909 0 40 BFAB Cc1cnccc1NC(=O)OC(C)(C)C 34515199 RZPXITSRAQPKRU-UHFFFAOYSA-N 208.261 2.737 0 40 BFAB in-vitro CC1CCN([C@@H](CN)c2ccccc2F)CC1 38916561 LWGHCPPOLRADMS-AWEZNQCLSA-N 236.334 2.557 0 40 BFAB C[C@@H]1c2ccccc2O[C@H]1C(=O)N1CCCCC1 40584938 SOPJKQLPXWGEQG-BXUZGUMPSA-N 245.322 2.564 0 40 BFAB CCOc1ccc([C@@H](CO)N2CCCCC2)cc1 41303721 GHOCMNIBXIVJIX-OAHLLOKOSA-N 249.354 2.605 0 40 BFAB Cc1cc(NC(=O)NC2CCCCCC2)no1 41462191 USIXNHISBFYUDE-UHFFFAOYSA-N 237.303 2.827 0 40 BFAB CC/C=C(\C)C(=O)NCCc1ccc(OC)cc1 46041220 NWFKRDHKNRDTIA-LFYBBSHMSA-N 247.338 2.710 0 40 BFAB COc1ccc(NC(=O)C(C)(C)C)cc1F 48302007 MBJSPGAIFDRMLZ-UHFFFAOYSA-N 225.263 2.819 0 40 BFAB FC(F)(F)[C@]1(c2ccccc2)CCCN1 60280102 SFSYMZXWRKWMMD-SNVBAGLBSA-N 215.218 2.828 0 40 BFAB in-vitro CCNc1sc2c(c1C(=O)OC)CCCC2 62797008 YCPYLQRJKYEVNL-UHFFFAOYSA-N 239.340 2.845 0 40 BFAB Cc1occc1C(=O)N[C@H]1CCCc2occc21 69530238 KKTIJQCYBRSEGI-LBPRGKRZSA-N 245.278 2.988 0 40 BFAB COc1ccccc1OCc1nc(C(C)C)no1 69630425 JAYFHLPJNHFKPO-UHFFFAOYSA-N 248.282 2.781 0 40 BFAB Fc1ccccc1-c1c[nH]nc1[C@@H]1CCCN1 72187677 PIRYAWGPSCEGHQ-LBPRGKRZSA-N 231.274 2.640 0 40 BFAB OCCc1ccc(SCc2ccccc2)nc1 72225423 YDEBDMUGCIBPCI-UHFFFAOYSA-N 245.347 2.909 0 40 BFAB Cc1c[nH]c2ccc(C(F)(F)F)cc2c1=O 72236979 UYOICYRJXPJYMU-UHFFFAOYSA-N 227.185 2.855 0 40 BFAB O=C(O)CC1(c2ccccc2F)CCC1 84386728 DHLIJHMMXUFYTM-UHFFFAOYSA-N 208.232 2.722 0 40 BFAB CCc1sc(C(=O)OC)cc1Cl 85393003 BOJHCPIQMZERBE-UHFFFAOYSA-N 204.678 2.751 0 40 BFAB CC(C)Oc1cccc([C@@H](O)c2ccccn2)c1 89065055 IAAYIVNZVRAMET-OAHLLOKOSA-N 243.306 2.951 0 40 BFAB CCOC(=O)c1[nH]ccc1-c1ccc(OC)cc1 92721648 XYELKVRWKNDVMV-UHFFFAOYSA-N 245.278 2.867 0 40 BFAB CCC(CC)CNC[C@@H](O)c1ccsc1 95434035 APLNPOPAMOGWJJ-GFCCVEGCSA-N 227.373 2.807 0 40 BFAB Cc1ccc([C@H](O)CCC2OCCCO2)cc1 95728585 HCGSWVBKDIFVFD-CYBMUJFWSA-N 236.311 2.572 0 40 BFAB NC1(c2ccc(F)cc2Br)CC1 95831183 OWPCLVBUXBKHEO-UHFFFAOYSA-N 230.080 2.536 0 40 BFAB COC(=O)c1sccc1C(F)(F)F 98086100 IYJVWDQVNMVBNW-UHFFFAOYSA-N 210.176 2.554 0 40 BFAB COc1ccc(OC)c2c1[C@@H]1[C@H]3C=C[C@@H]3[C@@H]3[C@@H]2[C@H]31 104286228 HAIGLKKQMUZVAS-AVOXNUIRSA-N 240.302 2.946 0 40 BFAB Cc1cccc(C)c1NC(=O)N1CC=CC1 107531546 FNIVQIWTMUXEHH-UHFFFAOYSA-N 216.284 2.707 0 40 BFAB CC(=O)c1nc2cc(C)c(C)cc2nc1C 144149096 MMTSLWXLRRBHLO-UHFFFAOYSA-N 214.268 2.758 0 40 BFAB CSC[C@H]1CCCN1C(=O)OC(C)(C)C 195296703 UXFUPNXBSGBAGM-SECBINFHSA-N 231.361 2.749 0 40 BFAB O=Cc1cc(F)c(O)c(Cl)c1Cl 199742634 RRLNNCCAMAFCPE-UHFFFAOYSA-N 209.003 2.651 0 40 BFAB CNc1cc(C)nc([C@H]2CCN(CC3CC3)C2)c1 205694699 LXYYUNUJDNCSOT-ZDUSSCGKSA-N 245.370 2.631 0 40 BFAB COC(=O)CCC[C@H]1CNc2cc(C)ccc2C1 256055049 YXJYMHODVKVPEM-GFCCVEGCSA-N 247.338 2.923 0 40 BFAB Nc1ccc2sc(Br)cc2n1 258084521 WCPZOIOWZKJARV-UHFFFAOYSA-N 229.102 2.641 0 40 BFAB CCOC(=O)c1cccc(C(=O)C(C)C)c1 390507620 XLNQHDSQTMPQIR-UHFFFAOYSA-N 220.268 2.702 0 40 BFAB CC[C@H](C)n1ncc2cc(F)ccc2c1=O 899355733 UJXCFFOMGXRZIR-QMMMGPOBSA-N 220.247 2.507 0 40 BFAB Cc1ccc([C@]2(O)C[C@@H](C)N(C)C[C@@H]2C)cc1 4142815 CFZMSXAIXMGEAH-GUTXKFCHSA-N 233.355 2.543 0 40 BFAB Cc1cc(N)ccc1NC(=O)CC(C)(C)C 8703473 AFXCPAMQUCKRJG-UHFFFAOYSA-N 220.316 2.952 0 40 BFAB CCCc1cc(=O)n(-c2ccc(C)c(C)c2)[nH]1 9477229 VDAMTDUWIQSMCZ-UHFFFAOYSA-N 230.311 2.735 0 40 BFAB c1ccc(CNCc2ccc3[nH]ccc3c2)nc1 15424221 JCECNYMHAAQCQH-UHFFFAOYSA-N 237.306 2.853 0 40 BFAB O=C(COc1cccc(Cl)c1)c1ccc[nH]1 16222745 ZWCUFXFQDLZRBF-UHFFFAOYSA-N 235.670 2.930 0 40 BFAB CC1=NO[C@H](c2ccccc2)N(C)C1(C)C 19461996 JGDFEAMXFMVVLE-GFCCVEGCSA-N 218.300 2.802 0 40 BFAB O=C(Cc1ccccc1Cl)Nc1ccon1 20494925 ZYXIZXJGULJDFR-UHFFFAOYSA-N 236.658 2.509 0 40 BFAB CCc1nnc(Nc2cccc(F)c2)s1 32648043 USFYBIXDTUWOEV-UHFFFAOYSA-N 223.276 2.983 0 40 BFAB C[C@@H](NC(=O)C1CCCC1)c1ccco1 32739445 UMAIMZSZFNAMTR-SECBINFHSA-N 207.273 2.647 0 40 BFAB C[C@H]1CCCC[C@@H]1N(C)C(=O)c1cccnc1 32787705 WRSZZFVMWLTOCR-AAEUAGOBSA-N 232.327 2.732 0 40 BFAB O[C@]12CCCC[C@H]1[C@H](c1ccccc1F)NCC2 33797206 KQIPCHXUWWIJAV-QEJZJMRPSA-N 249.329 2.781 0 40 BFAB CCCN(C(=O)c1ccccc1N)C(C)C 37095451 JINXZKTWMREOOQ-UHFFFAOYSA-N 220.316 2.529 0 40 BFAB in-vitro CCCCCOc1ccc(CO)cc1F 37114391 BVHVQEAYVRZFRH-UHFFFAOYSA-N 212.264 2.887 0 40 BFAB Cc1ccc2nc([C@@H]3CCCCN3)[nH]c2c1 37288977 FOMRBMULORDEIF-NSHDSACASA-N 215.300 2.686 0 40 BFAB COc1cccc(CNCC(C)(C)C)c1 40492289 VHKYNNCPCZSMEF-UHFFFAOYSA-N 207.317 2.831 0 40 BFAB CCN(Cc1cccc(F)c1)Cc1nc(C)no1 42501622 MVLSKBFERMWKFY-UHFFFAOYSA-N 249.289 2.539 0 40 BFAB Cc1ccc(C(=O)c2ccccn2)cc1C 43210504 NETHQVWMLWXEMM-UHFFFAOYSA-N 211.264 2.929 0 40 BFAB COc1ccccc1CCC(=O)C1CC1 43212103 JSJAOBADZGAESM-UHFFFAOYSA-N 204.269 2.607 0 40 BFAB CC1CCC(CNC(=O)[C@@H]2C[C@H]2C)CC1 55488724 SBONKHRQYTZJEG-RUJICJSRSA-N 209.333 2.585 0 40 BFAB O=C(NCCCOC1CCCC1)C1CCCC1 61260509 ZQIXMPBLCSMQQT-UHFFFAOYSA-N 239.359 2.642 0 40 BFAB N[C@H](CC1CCOCC1)c1ccccc1F 62774653 XQUMBDXRZFXLJD-CYBMUJFWSA-N 223.291 2.642 0 40 BFAB COc1cc(-c2cc(C(=O)O)ccn2)ccc1F 65347967 QIGOSTYLPSEFTA-UHFFFAOYSA-N 247.225 2.595 0 40 BFAB Cc1ccccc1[C@H]1C[C@@H](C)N(CCCO)C1 71915688 ZTKHETCXUQMXMG-KGLIPLIRSA-N 233.355 2.555 0 40 BFAB Cc1ccc(-c2conc2C(=O)O)cc1C 72193623 RVYIKYGIRAIZQD-UHFFFAOYSA-N 217.224 2.657 0 40 BFAB c1cc(N2CCCCC2)ncc1[C@H]1CCCCN1 72216055 XDAUFQYTMUOHLF-CQSZACIVSA-N 245.370 2.887 0 40 BFAB Cc1nc(N2CCCC2)ccc1[C@@H]1CCCCN1 72218932 ANIGKIBNOUNQJU-AWEZNQCLSA-N 245.370 2.805 0 40 BFAB CCN1CCC[C@H]1c1cnc(NC)c(C)c1 72218972 RFUAFGRAVIOBIP-LBPRGKRZSA-N 219.332 2.589 0 40 BFAB CCOc1ccc([C@H](N)c2ccccc2)cn1 72225169 HIWNOBXHFBJTAW-CQSZACIVSA-N 228.295 2.528 0 40 BFAB COc1cc(N)cc(OCc2ccccc2)c1 82296041 ONJHBQZGFOKBLW-UHFFFAOYSA-N 229.279 2.856 0 40 BFAB COc1cccc(-c2ncccc2C=O)c1 82371912 WOTXCMOLQJIZGN-UHFFFAOYSA-N 213.236 2.570 0 40 BFAB COc1cc(C(F)(F)F)cnc1Cl 91297117 YEFZEHDMELRBFT-UHFFFAOYSA-N 211.570 2.762 0 40 BFAB CCOc1cc(C)nc2cc(N)ccc12 95534949 HAWGXAQMXDRPGI-UHFFFAOYSA-N 202.257 2.524 0 40 BFAB C[C@H]1CCCN(Cc2ccccc2C=O)C1 95738630 SISUHXOCDSOAEI-LBPRGKRZSA-N 217.312 2.731 0 40 BFAB O=C(Nc1ccc(Cl)cc1O)C1CC=CC1 95974038 SVCHCKMKFVMZPC-UHFFFAOYSA-N 237.686 2.950 0 40 BFAB CC(C)C(=O)NCCc1c(F)cccc1Cl 96473195 BBTYCQBVVPEGBP-UHFFFAOYSA-N 243.709 2.794 0 40 BFAB Cc1c(O)ccc2cc(C(=O)O)ccc12 96527995 XKFNZRZICQABOD-UHFFFAOYSA-N 202.209 2.552 0 40 BFAB FC1(F)[C@H]2[C@@H]3[C@@H]4[C@H]5C[C@H]3[C@@H]1[C@@H]5C(F)(F)[C@H]42 100884498 GYFYKIHJGPVWNB-OBKRQJBSSA-N 218.193 2.645 0 40 BFAB COC(=O)c1ccc2oc(C(F)(F)F)nc2c1 107707639 GWUSLDSLPJOOFK-UHFFFAOYSA-N 245.156 2.633 0 40 BFAB N[C@@H]1CCC[C@H]1Nc1ccc(Cl)cc1 218681845 JVZLGJXRHMGGEX-GHMZBOCLSA-N 210.708 2.632 0 40 BFAB Cc1cc(NCCN)c2ccc(Cl)c(C)c2n1 222688148 DRYANAUSEMYMEK-UHFFFAOYSA-N 249.745 2.876 0 40 BFAB CC(C)(C)c1nnc(NCc2ccccn2)s1 269301319 ULAWHRUUEYVSDZ-UHFFFAOYSA-N 248.355 2.843 0 40 BFAB NC(=O)C(F)(F)c1ccc(Cl)cc1Cl 307305374 XILSHFHJJDFMIX-UHFFFAOYSA-N 240.036 2.571 0 40 BFAB COc1cnc2cc(Cl)ccc2c1C(=O)O 685937657 WIARPEQSQNOXKD-UHFFFAOYSA-N 237.642 2.595 0 40 BFAB O=C(c1ccc2cc[nH]c2c1)N1CC[C@@H](CF)C1 711494270 YQQBBBNNZIMNCY-JTQLQIEISA-N 246.285 2.600 0 40 BFAB O=Cc1c(F)cc(OCC(F)(F)F)cc1F 1776010743 RMVZLICZVTVVAW-UHFFFAOYSA-N 240.127 2.718 0 40 BFAB Cn1ncc(Cl)c1-c1nc2ccccc2[nH]1 46880 GXHMKQBTCMRVBH-UHFFFAOYSA-N 232.674 2.617 0 40 BFAB O=Cc1ccc(OC(=O)c2ccccc2F)cc1 312722 HQYDUKQWCQKHKR-UHFFFAOYSA-N 244.221 2.857 0 40 BFAB CCC(CC)C(=O)Nc1cc(C)ccn1 384124 JHVPNFLVUJCLRW-UHFFFAOYSA-N 206.289 2.765 0 40 BFAB COc1ccc(-c2c(C)sc(=N)n2C)cc1 563570 XVITYLXQQPTTCR-UHFFFAOYSA-N 234.324 2.550 0 40 BFAB C[C@@H]1CCCN(CCC(=O)c2ccc(O)cc2)C1 1598707 PMNQLQPUOSPHEN-GFCCVEGCSA-N 247.338 2.697 0 40 BFAB CCN(CC)C(=O)OCc1cccc(C)c1 1690682 LIQRXDMSPRCYBJ-UHFFFAOYSA-N 221.300 2.973 0 40 BFAB O=C1OC(c2ccco2)=N/C1=C/c1ccsc1 2809924 DNGOUOCKFCEYNK-RMKNXTFCSA-N 245.259 2.686 0 40 BFAB Cc1cc(C)cc(NC(=O)[C@H]2C[C@H]2C)c1 3407271 YVJFZFXJJRAQDO-PWSUYJOCSA-N 203.285 2.898 0 40 BFAB COc1ccc([C@H](N)c2ccccc2)c(OC)c1 6018036 IMEJKJODGOOFNC-OAHLLOKOSA-N 243.306 2.752 0 40 BFAB COC(=O)c1cc(-n2cccc2)ccc1Cl 6871729 CBBLKNLETDZCMR-UHFFFAOYSA-N 235.670 2.917 0 40 BFAB CCSc1nc(-c2ccccc2F)n[nH]1 8342264 UQEZGMQONQRYMI-UHFFFAOYSA-N 223.276 2.723 0 40 BFAB COCCCCOc1ccc(N)cc1Cl 8730335 XMYCEJBATAQOCR-UHFFFAOYSA-N 229.707 2.728 0 40 BFAB CCOC(=O)c1ccccc1-c1ccc(C=O)o1 8732338 FJKCWIHQCRLGMF-UHFFFAOYSA-N 244.246 2.936 0 40 BFAB C=Cn1c([C@H](O)C(F)(F)F)nc2ccccc21 9913694 LSCIGCGCZXCZBR-VIFPVBQESA-N 242.200 2.733 0 40 BFAB Cc1cc2cc(Cl)cc(C)c2nc1NN 11634015 FRODDXQDEOAUSJ-UHFFFAOYSA-N 221.691 2.791 0 40 BFAB Cc1cccc(NC(=O)N[C@@H](C)[C@@H]2CCCO2)c1 12977871 LRMKRWOUKFDMSM-AAEUAGOBSA-N 248.326 2.684 0 40 BFAB Cc1ccc(C)c(CSc2nccc(=O)[nH]2)c1 16285071 PZKLWNISLYRDLV-UHFFFAOYSA-N 246.335 2.679 0 40 BFAB CC(C)(C)c1nn(-c2ccccc2)cc1C=O 20154768 JYZCRVHXVAPFRV-UHFFFAOYSA-N 228.295 2.982 0 40 BFAB CC(C)C[C@@H](N)CN1CCCCCCC1 20266227 XBYQWLOMNCKGFY-CYBMUJFWSA-N 212.381 2.626 0 40 BFAB O=C(N1CCCCC1)C1(c2ccc(F)cc2)CC1 21695391 SAZWHMCGMIEEED-UHFFFAOYSA-N 247.313 2.870 0 40 BFAB Cc1sc(=O)[nH]c1-c1ccc(F)cc1 34669915 MELGPVBJGDXGFU-UHFFFAOYSA-N 209.245 2.551 0 40 BFAB in-vitro C[C@H](CN)c1cccc(C(F)(F)F)c1 37245666 LZHPSFNIFXANNY-SSDOTTSWSA-N 203.207 2.768 0 40 BFAB CCc1ccc([C@@H](O)c2ccco2)cc1 40255007 QYJPGWKAAGEQKA-CYBMUJFWSA-N 202.253 2.924 0 40 BFAB O=C(O)c1ncccc1-c1ccccc1F 41229465 XHDYIYSGTHBKBZ-UHFFFAOYSA-N 217.199 2.586 0 40 BFAB CNc1cc(C)nc2cc(OC)ccc12 41474709 BGNBYSYQFJHALV-UHFFFAOYSA-N 202.257 2.594 0 40 BFAB C[C@@H]1CCCCN1C(=O)C(C)(C)Br 41709577 LWFOJYYZDZRUEX-MRVPVSSYSA-N 248.164 2.561 0 40 BFAB Cc1nnc(CN2CCC[C@@H]2c2ccsc2)o1 48253145 YFAMTESQNGGCNB-LLVKDONJSA-N 249.339 2.777 0 40 BFAB CC(=O)Nc1nc(-c2cc(C)oc2C)cs1 48750280 FHCGPZFWQJPYAQ-UHFFFAOYSA-N 236.296 2.978 0 40 BFAB Cc1ccc(CC(=O)N[C@H](C)C(C)C)cc1 53495231 CBRYFSKGZGOZJQ-GFCCVEGCSA-N 219.328 2.698 0 40 BFAB CCOCCNC1CCC(C(C)C)CC1 54554912 UUZZDOWIAXNFQB-UHFFFAOYSA-N 213.365 2.827 0 40 BFAB CNC[C@@H]1C[C@H]1c1c(F)cccc1Cl 54588711 HODOHRYFWUWNJY-JGVFFNPUSA-N 213.683 2.802 0 40 BFAB Cc1noc(CN(Cc2ccccc2)C2CC2)n1 55970955 RPFXPLDFFQJFPQ-UHFFFAOYSA-N 243.310 2.543 0 40 BFAB CC[N+]1=C[N+](c2ccccc2)=C(C)[CH-]C1(C)C 59822417 RAHOJDQDNSEOKR-UHFFFAOYSA-N 229.347 2.849 0 40 BFAB CC[C@H](COC)NCc1ccc(C)cc1 70656225 ATCYYPHSYRNYGG-CYBMUJFWSA-N 207.317 2.510 0 40 BFAB CC(C)[C@H](N)[C@H](C)CC(=O)Nc1ccccc1 72208184 FOSHKHXRVSVYIX-RISCZKNCSA-N 234.343 2.635 0 40 BFAB O=C(Nc1cc(Cl)ccn1)c1ccccc1 75282820 AVBMKOHUYGOCJJ-UHFFFAOYSA-N 232.670 2.987 0 40 BFAB CCCC(=O)Nc1cccc(Cl)c1O 77011020 VGFNOGDAJBZYMT-UHFFFAOYSA-N 213.664 2.784 0 40 BFAB C1CCCN(c2nc(C3CC3)ns2)CC1 80761250 SURMNGVKMXAOCX-UHFFFAOYSA-N 223.345 2.796 0 40 BFAB O=C(O)C[C@H]1COc2ccc3ccccc3c21 82295128 GLUBXCANIFBAHC-JTQLQIEISA-N 228.247 2.791 0 40 BFAB CN(Cc1ccc(Cl)cc1)c1cnccn1 83862534 OXNNFBVFQXMLBZ-UHFFFAOYSA-N 233.702 2.766 0 40 BFAB Clc1cnc2c(Br)cccn12 84424533 XLHWMZZORNUXBP-UHFFFAOYSA-N 231.480 2.750 0 40 BFAB O=Cc1nc(-c2cccc(C(F)(F)F)c2)no1 89262089 HCIUQULPUDBGTB-UHFFFAOYSA-N 242.156 2.568 0 40 BFAB c1cc([C@@H]2CCCCN2Cc2cscn2)[nH]n1 205688121 GRFKCPGLTZEPHA-LBPRGKRZSA-N 248.355 2.593 0 40 BFAB Cc1cc(Cl)cc2c(NCCCN)ccnc12 222679834 PFRVFCLNYFIRBV-UHFFFAOYSA-N 249.745 2.957 0 40 BFAB CC[C@H](NC(=O)C1CC1)c1ccccc1C 225386185 CZCUIIUDNXPHFK-ZDUSSCGKSA-N 217.312 2.972 0 40 BFAB CC(C)Cc1ccc(CO)n1CC(C)C 226022803 OCHVBYRTHLGOCT-UHFFFAOYSA-N 209.333 2.835 0 40 BFAB Cc1nn(C(F)F)cc1NCc1cccn1C 256049593 AOYMPWQLXNOYDR-UHFFFAOYSA-N 240.257 2.537 0 40 BFAB C[C@@H](Oc1ccc(Br)cc1)[C@@H]1CO1 256050121 CTNKYAWRIWSYGI-XCBNKYQSSA-N 243.100 2.615 0 40 BFAB CCCCCNc1cn(CCF)nc1C 256050935 HBJKGIJFSZBVNT-UHFFFAOYSA-N 213.300 2.763 0 40 BFAB CC(C)Cn1nccc1CNCc1ccccc1 256053121 QCROSALAIRZDMF-UHFFFAOYSA-N 243.354 2.829 0 40 BFAB Oc1ccc(NC2Cc3ccccc3C2)cc1 9651 CVVPWRFPKHOFEY-UHFFFAOYSA-N 225.291 2.972 0 40 BFAB O=C(c1ccccc1Cl)N1CCSCC1 140256 PULVKSQKLLEGPA-UHFFFAOYSA-N 241.743 2.529 0 40 BFAB O=C(NCc1cccs1)C1CCCCC1 376574 QTYJPNRSYXQPSF-UHFFFAOYSA-N 223.341 2.945 0 40 BFAB N=c1ccn(Cc2ccc(Cl)cc2)cc1 495160 IMNKEUHUAVZSTA-UHFFFAOYSA-N 218.687 2.669 0 40 BFAB biogenic COc1ccc(O)c(C(=O)c2ccc(C)cc2)c1 1690338 PNMVDUDLDLWOBC-UHFFFAOYSA-N 242.274 2.940 0 40 BFAB CC(=O)COc1cccc2ccccc12 1749792 XLBISEPPFPYRSE-UHFFFAOYSA-N 200.237 2.808 0 40 BFAB CCC[C@@H](CCc1ccccc1)C(N)=O 2042217 CXWKQNWPMYMCHL-LBPRGKRZSA-N 205.301 2.521 0 40 BFAB COc1ccc(C2(CCN)CCCC2)cc1OC 4025407 OKCWBNAQILWHBJ-UHFFFAOYSA-N 249.354 2.864 0 40 BFAB biogenic Cc1cc(C)cc(NC(=O)CCn2ccnc2)c1 5268955 VGAVWKJYAMODNA-UHFFFAOYSA-N 243.310 2.529 0 40 BFAB CCNc1ncnc2sc(CC)cc12 5301970 TZQMRPSJNZDCKJ-UHFFFAOYSA-N 207.302 2.686 0 40 BFAB CCCCCNC(=O)COc1ccccc1C 6597179 DVPGIFXIIWGHJU-UHFFFAOYSA-N 235.327 2.680 0 40 BFAB COC(C)(C)CCOc1ccc(C)cc1N 8702581 KKSMXXGZZSCOTL-UHFFFAOYSA-N 223.316 2.771 0 40 BFAB Cc1cnc(C(=O)Oc2c(C)cccc2C)cn1 9048800 DKZGGJLCDMGJBW-UHFFFAOYSA-N 242.278 2.621 0 40 BFAB CCC(=O)Nc1ccc(Cl)c(NC(C)=O)c1 9141947 UYNBZZPJEVNSIR-UHFFFAOYSA-N 240.690 2.647 0 40 BFAB Cc1cc(N)nc(SCc2ccccc2C)n1 10350966 IQXKIYWZELBAKM-UHFFFAOYSA-N 245.351 2.968 0 40 BFAB COCCNCc1cccc(Cl)c1Cl 16194396 VTKLZMJBCYSIJK-UHFFFAOYSA-N 234.126 2.729 0 40 BFAB CCCCOc1ccc(CNC)cc1OCC 19777167 ZNUBKQSHYKNYNH-UHFFFAOYSA-N 237.343 2.984 0 40 BFAB Cc1ccc(N[C@H](C)C(=O)NCC(C)C)cc1 20313112 SLDUTBQBFKWXGH-GFCCVEGCSA-N 234.343 2.568 0 40 BFAB Cc1ccc(C(=O)Nc2c(C)nn(C)c2C)s1 22885198 YFPUHKRFEMMTMH-UHFFFAOYSA-N 249.339 2.659 0 40 BFAB COC(=O)COc1cc(Cl)ccc1Cl 34936560 QZJWFWJVECNSMD-UHFFFAOYSA-N 235.066 2.545 0 40 BFAB CCCn1c(CN(C)C)nc2ccccc21 35167702 FNFIIAOFYVIIJA-UHFFFAOYSA-N 217.316 2.508 0 40 BFAB C[C@@H]1C[C@@H]1c1cc(N)n(-c2ccccc2)n1 36938401 ZWVAZCFZYJSBEE-KOLCDFICSA-N 213.284 2.578 0 40 BFAB in-vitro CCN(CC)c1cc(C(=O)O)c2ccccc2n1 37336637 UGMUEZUQLFXETM-UHFFFAOYSA-N 244.294 2.779 0 40 BFAB Cc1cc(C(=O)NCc2ccncc2)sc1C 40457640 KGPMDKHIZJHLFE-UHFFFAOYSA-N 246.335 2.690 0 40 BFAB CC(C)(C)C(=O)NCCc1cccc(F)c1 40464844 ISZZYLZJOBVUHD-UHFFFAOYSA-N 223.291 2.531 0 40 BFAB CCCCCC[C@H](C)N[C@@H]1CCN(C)C1 42545284 CDJICRAKDPTLLQ-QWHCGFSZSA-N 212.381 2.639 0 40 BFAB CCCCNc1ccc(O)c(C(C)=O)c1 44136921 BKGANAFEDBCHTO-UHFFFAOYSA-N 207.273 2.807 0 40 BFAB N=C(NNc1ccc(F)cc1F)c1ccccc1 57312143 XCTJCYAKXAKNPU-UHFFFAOYSA-N 247.248 2.907 0 40 BFAB C[C@@H]1CCCN(C[C@H](O)c2ccc(F)cc2)C1 58405891 OJOCGLWPIUJXJR-RISCZKNCSA-N 237.318 2.591 0 40 BFAB c1cnc2nc(NC(C3CC3)C3CC3)ccc2n1 83419933 DUVQLEXHFLJTKF-UHFFFAOYSA-N 240.310 2.625 0 40 BFAB CN(CCCF)Cc1cccc(N(C)C)c1 89922761 OWVVOXWEXKOMRB-UHFFFAOYSA-N 224.323 2.544 0 40 BFAB Cc1noc(C)c1CNc1nc2ccccc2[nH]1 92340444 HVDSMEATTABUEU-UHFFFAOYSA-N 242.282 2.780 0 40 BFAB COc1c(C)cc([C@@H](O)c2ccco2)cc1C 95727464 VKGJXGMDJUHVKC-CYBMUJFWSA-N 232.279 2.987 0 40 BFAB C1CCN[C@H](c2noc(CCC3CC3)n2)CC1 96001513 XGVMUYVCCHWVFM-NSHDSACASA-N 235.331 2.617 0 40 BFAB CCCCN(Cc1ccco1)C[C@H](N)C(C)C 96523741 CZFLRAQEXLDCNQ-AWEZNQCLSA-N 238.375 2.865 0 40 BFAB CC12C[C@@H]3C[C@@H](C1)CC(NC(=O)C1CC1)(C3)C2 101375758 IMSRRLMKRATBAY-WZWWUGBPSA-N 233.355 2.872 0 40 BFAB COc1ccccc1-n1nc(C(C)C)cc1O 102003815 RHJCNFRGSZMZHR-UHFFFAOYSA-N 232.283 2.710 0 40 BFAB CCOc1ccc([C@@H]2C[C@H]2[C@H](C)N)cc1 108019049 VPECJODXZJEBMN-XDTLVQLUSA-N 205.301 2.536 0 40 BFAB Cc1ccc(F)cc1CN[C@H]1C[C@H]2CC[C@@H]1O2 129093491 UONWEWRDJGPRJA-RDBSUJKOSA-N 235.302 2.544 0 40 BFAB Cc1cccc(Cc2ccc(C(=O)O)[nH]2)c1 216589310 CZDNBPPZRGUYDF-UHFFFAOYSA-N 215.252 2.612 0 40 BFAB OCc1cn(-c2cc(Cl)ccc2Cl)cn1 217749500 KBXLPZGOVXCGRV-UHFFFAOYSA-N 243.093 2.671 0 40 BFAB CNCCCNc1ccnc2c(Cl)cccc12 222678662 JDVVUROXDJAGKW-UHFFFAOYSA-N 249.745 2.910 0 40 BFAB CCNCc1c(C)n(CC)c2ccc(O)cc12 223761293 HNIMEAZXWWSZQJ-UHFFFAOYSA-N 232.327 2.785 0 40 BFAB Cc1c(F)cccc1N1CCN[C@H]2CCCC[C@@H]21 225713848 QEQVVJLEYCAMDZ-ZFWWWQNUSA-N 248.345 2.855 0 40 BFAB CCCCC1=NN[C@H]2CC(C)(C)CC(=O)[C@@H]12 228922466 GHKFVHGKBZXDRX-JQWIXIFHSA-N 222.332 2.510 0 40 BFAB COC(=O)c1cc(C2(C)CCCCC2)on1 260354803 WREOBXDCADCLEM-UHFFFAOYSA-N 223.272 2.683 0 40 BFAB CCOC(=O)c1ccc([C@H]2CC2(F)F)cc1 261335485 ZYSRSLAFDKJBDS-SNVBAGLBSA-N 226.222 2.986 0 40 BFAB CO[C@H]1CCN(CCCCCF)[C@@H](C)C1 330033081 WGOIPPKGQAUJQI-RYUDHWBXSA-N 217.328 2.626 0 40 BFAB FC[C@H]1CCN(c2nc3ccccc3o2)C1 882842189 PFEZWMPCUPQWIW-SECBINFHSA-N 220.247 2.624 0 40 BFAB O[C@@H]1c2ccccc2-c2c(F)cccc21 399312 YXLVWEAKWLCVRC-CYBMUJFWSA-N 200.212 2.888 0 40 BFAB CCc1sc(N)[n+](C)c1-c1ccc(F)cc1 479836 MGGLEBIBBVFRFQ-UHFFFAOYSA-O 237.323 2.523 0 40 BFAB O=C1Sc2ccccc2Cn2cccc21 1607718 PVPNLSYXNYJMLP-UHFFFAOYSA-N 215.277 2.782 0 40 BFAB O=C(c1ccccn1)N1CCCc2ccccc21 1655464 BVXGECKYXHRYEW-UHFFFAOYSA-N 238.290 2.675 0 40 BFAB CCCCCC(=O)Nc1cccc(C(=O)O)c1 3660735 KMLVZXZFTSHUSB-UHFFFAOYSA-N 235.283 2.904 0 40 BFAB CC(=O)N1c2cc3[nH]c(C)cc3cc2C[C@H]1C 3845199 ZEKVGKOAQZKIHX-SECBINFHSA-N 228.295 2.774 0 40 BFAB CC(C)(C)c1ccc(-c2ccc(=O)[nH]n2)cc1 3944775 BGVKWSVCRLMBEZ-UHFFFAOYSA-N 228.295 2.734 0 40 BFAB S=C(S)N1N=CC[C@@H]1c1ccccc1 5647800 ACEWBOIMCFVVKN-SECBINFHSA-N 222.338 2.634 0 40 BFAB biogenic CCC(=O)N[C@H]1CCSc2ccc(F)cc21 12853322 PGIIZWLKWYZXRB-JTQLQIEISA-N 239.315 2.889 0 40 BFAB C[C@@H](NC(=O)c1ccoc1)c1ccccc1 15554294 GLLMNJOQUNIXNQ-SNVBAGLBSA-N 215.252 2.771 0 40 BFAB O=C(Cc1cccc(F)c1)N1CCCCCC1 19934916 FSAANFUROHTGSX-UHFFFAOYSA-N 235.302 2.771 0 40 BFAB O=C1CCCOc2cc3c(cc21)CCC3 34974991 ZVODBHXATUGMTO-UHFFFAOYSA-N 202.253 2.531 0 40 BFAB in-vitro S=C1Nc2cccnc2Nc2ccccc21 38478025 DAMKLONWIZWQBU-UHFFFAOYSA-N 227.292 2.926 0 40 BFAB Cc1noc(CN(C)C2CCCCCC2)n1 42567034 QYIXEVLJJSEXRH-UHFFFAOYSA-N 223.320 2.533 0 40 BFAB O=C(Nc1ccc2ncccc2c1)c1ccc[nH]1 63835495 SKMGVLZOVKPYDU-UHFFFAOYSA-N 237.262 2.815 0 40 BFAB CCc1ccc(OC)c(C(=O)N(CC)CC)c1 72206504 KWQRIVRNKTXCIL-UHFFFAOYSA-N 235.327 2.740 0 40 BFAB Cc1cc(Cl)ncc1[C@@H]1CCCCN1C=O 72217872 KANUYILBHXDLKB-NSHDSACASA-N 238.718 2.727 0 40 BFAB COC(=O)CC[C@@H]1CNc2cc(C)ccc2C1 84785818 QGFTZRRVDVULLF-NSHDSACASA-N 233.311 2.532 0 40 BFAB Cc1ccc([C@@H](O)c2ccccn2)cc1F 95727411 BCFDYASNJCZVQH-CYBMUJFWSA-N 217.243 2.611 0 40 BFAB CC[C@@H](COC)N[C@@H](c1nccs1)C1CC1 95968583 LHQINNQGYIBAFJ-WDEREUQCSA-N 240.372 2.609 0 40 BFAB C[C@@H](O)c1[nH]c2ccccc2c1Br 96509775 YNFCOBSHKUMELA-ZCFIWIBFSA-N 240.100 2.984 0 40 BFAB OC[C@H]1C=C[C@@H](N[C@H]2CCCc3ccccc32)C1 97371044 IMWJSWAZJHWXRF-BJJXKVORSA-N 243.350 2.591 0 40 BFAB CCc1oc2ccccc2c1CN(C)C(=O)NC 98001864 VRTZGXMYFOOJSJ-UHFFFAOYSA-N 246.310 2.766 0 40 BFAB CCC(=O)/N=c1/sc2cc(C)ccc2n1CC 100878827 PJTFMKPQEQEVRC-BUHFOSPRSA-N 248.351 2.868 0 40 BFAB CCCc1c(C)nc2nc3ccccc3n2c1O 101880076 RRGJPTFGPMMATJ-UHFFFAOYSA-N 241.294 2.849 0 40 BFAB COc1ccc(C(=O)C(F)F)c(Cl)c1 234880595 FFUKDIGUVZCXNV-UHFFFAOYSA-N 220.602 2.796 0 40 BFAB CN(c1ccc2ccccc2n1)[C@@H]1CCC[C@H]1O 286425001 RJELDFTWYWKROR-ZIAGYGMSSA-N 242.322 2.584 0 40 BFAB CC(C)COCc1ccn(CC(C)C)n1 408715153 CHKWVZDNBZXPJX-UHFFFAOYSA-N 210.321 2.712 0 40 BFAB O=C1CCN(Cc2ccccc2)C2(CCC2)C1 578112912 YBAHKSWRMSWVCL-UHFFFAOYSA-N 229.323 2.774 0 40 BFAB OCc1ccc(-c2cccc3c2CCC3)cn1 665188048 IQPFPZQIGCWWNW-UHFFFAOYSA-N 225.291 2.730 0 40 BFAB COC(=O)n1ncc(C)c1-c1ccc(C)cc1 387738 LMGVVBMCEDKSHB-UHFFFAOYSA-N 230.267 2.781 0 40 BFAB OCc1ccccc1OCc1ccc(F)cc1 575331 NYZRKFQNSFKORN-UHFFFAOYSA-N 232.254 2.897 0 40 BFAB CC(=O)Nc1cc(C)cc(Br)c1 1555420 IACMUCUAYFBJFF-UHFFFAOYSA-N 228.089 2.716 0 40 BFAB Cc1ccc(C)n1CCc1ccccn1 1675467 NUBSSCCFXJJQHP-UHFFFAOYSA-N 200.285 2.743 0 40 BFAB O=C(c1cc(F)c(F)c(F)c1)C1CC1 2514300 OTZGKNDQZVPBAX-UHFFFAOYSA-N 200.159 2.697 0 40 BFAB CCC[C@H](C)NC(=O)Cc1ccc(OC)cc1 5793991 DEILSYJGJJKBOL-NSHDSACASA-N 235.327 2.543 0 40 BFAB COCCCOc1ccc(N)c(C(F)(F)F)c1 14630333 IXMLXNGVALULDC-UHFFFAOYSA-N 249.232 2.703 0 40 BFAB O=C(Nc1ccncc1)Nc1ccc(F)cc1 15952166 LWSVUFOPFMPAIG-UHFFFAOYSA-N 231.230 2.865 0 40 BFAB CCN1CN=C(S)N(c2cc(C)ccc2C)C1 20170975 YKKXDXRQZZCTGJ-UHFFFAOYSA-N 249.383 2.646 0 40 BFAB Cc1noc2ncnc(N[C@@H]3CCCC[C@@H]3C)c12 21531591 RIHMUTYAOUZJTM-WCBMZHEXSA-N 246.314 2.917 0 40 BFAB CC(C)c1noc(COc2ccc(C=O)cc2)n1 22120865 VJJKOQZIARKPMQ-UHFFFAOYSA-N 246.266 2.585 0 40 BFAB O=C(NCC1CC1)c1ccc(F)cc1Cl 32909806 XOGQLLBYMNFXNP-UHFFFAOYSA-N 227.666 2.619 0 40 BFAB O=C(O)[C@@H]1CCc2cc(Br)ccc21 34165312 RHHOBLZUVLGGBU-SECBINFHSA-N 241.084 2.564 0 40 BFAB in-vitro COC(=O)[C@@H]1Cc2ccccc2C(C)(C)C1 36449038 SGGXRLXCTLDTGT-LLVKDONJSA-N 218.296 2.700 0 40 BFAB CCOc1ccc(Cl)cc1[C@@H](C)O 41210507 CFIZOSDMOCKASV-SSDOTTSWSA-N 200.665 2.792 0 40 BFAB Cc1nc(CNC(=O)c2ccccc2)sc1C 41538641 VJHXNLISIYYCHR-UHFFFAOYSA-N 246.335 2.690 0 40 BFAB CCc1ccc(C(=O)N2CCCC[C@@H]2C)o1 44913728 ANDJUJOACJLXSD-JTQLQIEISA-N 221.300 2.857 0 40 BFAB CCc1ccc(OCC(=O)N[C@H](C)C(C)C)cc1 47077038 QUSWBHRYSVIZRP-GFCCVEGCSA-N 249.354 2.789 0 40 BFAB Cc1ccc(-c2onc(C)c2C=O)cc1 57490862 PVTGUFCRIFLISC-UHFFFAOYSA-N 201.225 2.771 0 40 BFAB COCCCN1CC[C@H](c2ccccc2)C1 69741746 NEKNHBBELKHPJC-AWEZNQCLSA-N 219.328 2.512 0 40 BFAB CCOc1cccc(/C=C/C(=O)OC)c1Cl 72209081 KCJQUDDPHBEQKI-BQYQJAHWSA-N 240.686 2.925 0 40 BFAB COC(=O)c1ccc(N2CCCCCC2)nc1C 72224563 DAFRCBMPOJXDMP-UHFFFAOYSA-N 248.326 2.557 0 40 BFAB O=C(C1CCCC1)N1C[C@@H]2CCCC[C@H]2C1 89817995 ADDRGZGFIJDINB-STQMWFEESA-N 221.344 2.825 0 40 BFAB COc1ccc2c(Cl)nc(C)nc2c1 95930299 AZFMRHVEFNFZIF-UHFFFAOYSA-N 208.648 2.600 0 40 BFAB Cl[C@@]12C[C@@H]3[C@@H]4C[C@@H]5[C@@H]([C@H]41)[C@](Cl)(C[C@H]35)O2 100246470 XACQLMSONRGALD-DMGRGEKASA-N 231.122 2.809 0 40 BFAB COc1ccc2cc(-c3cc(N)n[nH]3)ccc2c1 117999109 JMKIHXQWUYQGHY-UHFFFAOYSA-N 239.278 2.821 0 40 BFAB C[C@H](O)CN[C@@H]1C[C@H](c2ccccc2)C1(C)C 123671657 OKHGITDXBGVGTH-IACUBPJLSA-N 233.355 2.539 0 40 BFAB Cc1ccc(-n2cccc2CN)cc1Cl 223687176 SOKFWMYWUQZDTF-UHFFFAOYSA-N 220.703 2.898 0 40 BFAB c1ccc2c(N3C[C@H]4CCC[C@H]4C3)ncnc2c1 268285445 XILCPVAECAUKSM-TXEJJXNPSA-N 239.322 2.866 0 40 BFAB Cc1cccc(C(=O)Nc2cccnc2)c1 341755 DBCREUIMFKGZMA-UHFFFAOYSA-N 212.252 2.642 0 40 BFAB CN[C@@H](CCCCC1CCCCC1)C(=O)O 2042738 NAQAWRVPZJMBRI-LBPRGKRZSA-N 227.348 2.800 0 40 BFAB CCC1(CC)N(O)[C@@H](C)C(c2ccccc2)=[N+]1[O-] 2236814 LGUUNGJLWSSUBD-NSHDSACASA-N 248.326 2.596 0 40 BFAB CCC(n1nc(C)cc1C)n1nc(C)cc1C 4671511 NLBDZGNAFAHINL-UHFFFAOYSA-N 232.331 2.770 0 40 BFAB C[C@@H]1C[C@H]1C(=O)Nc1ccc2c(c1)CCC2 5611238 DJRKGPMTRJEWCF-NOZJJQNGSA-N 215.296 2.770 0 40 BFAB c1cncc(Nc2nc3ccccc3[nH]2)c1 5635524 XLDQQAZUFNRXDJ-UHFFFAOYSA-N 210.240 2.702 0 40 BFAB S=C(Nc1ccccc1)OCc1ccccn1 5741094 DRMGJYRELUATLW-UHFFFAOYSA-N 244.319 2.995 0 40 BFAB Cc1ccc(C(=O)Nc2ncccc2C)cc1 11535898 XKCKSAJWVZAVIO-UHFFFAOYSA-N 226.279 2.951 0 40 BFAB CCOc1ccc(Cl)cc1/C=C/C(=O)O 11886898 KISRHHHPGJWJFH-ZZXKWVIFSA-N 226.659 2.837 0 40 BFAB Fc1cc(Cl)ccc1O[C@@H]1CCCNC1 14631855 JFYHSUDQOJUQDD-SECBINFHSA-N 229.682 2.610 0 40 BFAB in-vitro COc1ccc(NC(=O)Nc2ccccc2)cn1 16227726 GEWGSFXZLJCRSO-UHFFFAOYSA-N 243.266 2.734 0 40 BFAB CN(C)[C@@H](CN)c1ccc(Cl)c(Cl)c1 19861954 WSDUPQJQYOYFPN-JTQLQIEISA-N 233.142 2.555 0 40 BFAB CC(C)c1ccc([C@H]2C[C@@H]2C(=O)O)cc1 20392225 NOGUBTGKXFAAGO-NEPJUHHUSA-N 204.269 2.998 0 40 BFAB in-vitro CCOc1ccc([C@@H]2C[C@@H]2C(C)=O)cc1 20392445 OQDFOQMKXLHOBD-OLZOCXBDSA-N 204.269 2.778 0 40 BFAB CCc1ccccc1O[C@H](C)C(=O)N[C@@H](C)CC 20459095 LDSJFHDLKIJSMH-NWDGAFQWSA-N 249.354 2.931 0 40 BFAB Fc1ccccc1OCCC1CCNCC1 20593599 RIRVSEYSGVACNW-UHFFFAOYSA-N 223.291 2.594 0 40 BFAB CCn1ccc(NC(=O)c2cccc(Cl)c2)n1 27929857 CYANNRDQLJCARM-UHFFFAOYSA-N 249.701 2.809 0 40 BFAB CCn1ccc(NC(=O)CCC2CCCC2)n1 28227441 TYXUSUJUGBNKGW-UHFFFAOYSA-N 235.331 2.812 0 40 BFAB CCOc1ccc(C(=O)C(F)F)cc1 34344257 UYMIIYVKIRDXQV-UHFFFAOYSA-N 200.184 2.533 0 40 BFAB CCC(=O)c1cc(Cl)nc(Cl)c1 36404949 KMPNLCSHLOSNGA-UHFFFAOYSA-N 204.056 2.981 0 40 BFAB c1ccc(SC[C@H]2CCCCN2)cc1 43495083 NUZVSWGFCLEVIL-LLVKDONJSA-N 207.342 2.921 0 40 BFAB CCCCc1ccc(C(=O)COC)cc1 43504711 XOGMYYNICQPYGZ-UHFFFAOYSA-N 206.285 2.858 0 40 BFAB Cc1ccc([C@@H](O)c2ccco2)cc1F 68979232 GXWDPKHSPKMVCD-GFCCVEGCSA-N 206.216 2.809 0 40 BFAB NC/C=C/c1cc(Cl)ccc1Cl 70452905 GPHIARUBATVXTD-OWOJBTEDSA-N 202.084 2.965 0 40 BFAB Cc1cc(C)c(NC(=O)c2ccco2)c(N)c1 70462867 JNFCDHFUHMRBGR-UHFFFAOYSA-N 230.267 2.731 0 40 BFAB Cc1cccc(C(=O)O)c1C(F)(F)F 71614640 RWQQQKKQKXBNGZ-UHFFFAOYSA-N 204.147 2.712 0 40 BFAB CCCN1CCC[C@H]1c1ccc(C)nc1 72211241 NZDJCULDWGRARY-ZDUSSCGKSA-N 204.317 2.937 0 40 BFAB CCOC(=O)CCCOc1ccc(F)cc1 75881205 MHWJYMIHCGLWCP-UHFFFAOYSA-N 226.247 2.548 0 40 BFAB C[C@H](N)c1ccc(F)c(C(F)(F)F)c1 83255252 FYARORXHFRMUIC-YFKPBYRVSA-N 207.170 2.864 0 40 BFAB in-vitro NCC1(c2cccc(Cl)c2Cl)CC1 84482388 QCUDUGOVBASECN-UHFFFAOYSA-N 216.111 2.984 0 40 BFAB CCCCNC(=O)C=C(C1CC1)C1CC1 84744529 PCFXDOQJYPAUNK-UHFFFAOYSA-N 207.317 2.649 0 40 BFAB Cc1cnc(Oc2ccc(F)cc2)c(N)c1 85426345 BBOPNXLIRGTOBM-UHFFFAOYSA-N 218.231 2.904 0 40 BFAB C1CC[C@@H]2[C@@H](C1)CCN2c1nc(C2CC2)no1 89818726 NPCVOFCJMBTDJU-GXSJLCMTSA-N 233.315 2.716 0 40 BFAB CCC[C@@H](O)[C@H]1CCCN[C@@H]1c1ccccc1 95095236 QQUXYJDNGLNLKL-RBSFLKMASA-N 233.355 2.888 0 40 BFAB C[C@@H](N[C@@H]1CCC[C@@H]1CO)c1ccccc1F 96478423 RGZVTHKOFJMHRZ-JTNHKYCSSA-N 237.318 2.637 0 40 BFAB Cc1ncccc1OCCOC(C)(C)C 96501111 ZMTQTOHKKRJKLJ-UHFFFAOYSA-N 209.289 2.584 0 40 BFAB O=C(O)[C@H]1C[C@@H]1c1cccc(Cl)c1F 125064189 SBNZLYNJIDZCIL-RQJHMYQMSA-N 214.623 2.667 0 40 BFAB CCCc1ccc([C@@H](NN)C(F)(F)F)cc1 161803086 GPKRLPVWNGJICS-SNVBAGLBSA-N 232.249 2.706 0 40 BFAB Cc1ccc2c(c1)CCN(C(=O)[C@H]1C[C@@H]1C)C2 195579992 ORPIDZYVJJRZGX-FZMZJTMJSA-N 229.323 2.536 0 40 BFAB CCc1cc(N)ccc1N1CCCCC1 214561881 LMTPTZJSDOOUEK-UHFFFAOYSA-N 204.317 2.822 0 40 BFAB Cc1coc2c1C(=O)C[C@H](C(F)F)C2 217646472 FKEKIKCGNQDTBD-LURJTMIESA-N 200.184 2.598 0 40 BFAB CCCO[C@H](Cc1c(C)cccc1C)C(=O)O 225032571 QSYJZFXOFLHLFT-CYBMUJFWSA-N 236.311 2.726 0 40 BFAB Cc1ccccc1-n1ncc2c1C[C@H](C)CC2=O 228930518 WULHWTPUIDMSBL-JTQLQIEISA-N 240.306 2.946 0 40 BFAB CC(=O)c1sc(CC2CCC2)nc1C 252478602 AQDWJEJLJBYMEM-UHFFFAOYSA-N 209.314 2.997 0 40 BFAB CC(C)n1nccc1CNCc1ccc(F)cc1 256051666 KCAWTAJNKWPULC-UHFFFAOYSA-N 247.317 2.893 0 40 BFAB Cc1cc(C(=O)N2CCC(CF)CC2)c(C)o1 296008626 SRWUHOBRFYJEKN-UHFFFAOYSA-N 239.290 2.718 0 40 BFAB CCN[C@H](C)Cc1ccc2ccoc2c1 299817207 MIRNYUKRRZFBOI-SNVBAGLBSA-N 203.285 2.973 0 40 BFAB in-vitro O[C@@]1(CNc2nc3ccccc3o2)C=CCCC1 1776000969 RVNPUMPQBFIUTF-AWEZNQCLSA-N 244.294 2.711 0 40 BFAB CCN(C(C)=O)c1nc2ccccc2s1 336412 YSVXNNHVBUPXMS-UHFFFAOYSA-N 220.297 2.669 0 40 BFAB CN(C)C(=O)Sc1ccc(N(C)C)cc1 1692848 QXGFZGQZQMRXGV-UHFFFAOYSA-N 224.329 2.526 0 40 BFAB COc1ccc(CCC(=O)C2CC2)cc1 2516588 VBGMKIIMHWHHBN-UHFFFAOYSA-N 204.269 2.607 0 40 BFAB C[C@@H]1C=Cn2c(cc3ccccc3c2=O)C1 3847848 OFTYKGZFSMGUPU-SNVBAGLBSA-N 211.264 2.664 0 40 BFAB biogenic Nc1c(-c2ccccc2)nc2sccn12 3888285 PBWGCNFJKNQDGV-UHFFFAOYSA-N 215.281 2.645 0 40 BFAB c1ccc([C@H]2NCCc3sccc32)cc1 4218666 BKXOJOFWZSFANH-CYBMUJFWSA-N 215.321 2.983 0 40 BFAB CC(C)(C)NC(=O)CCCc1ccccc1 4699409 WIVDYUBAAZRCRS-UHFFFAOYSA-N 219.328 2.924 0 40 BFAB Cc1ccc(C(=O)NN2[C@H](C)CCC[C@H]2C)cc1 6845053 INQHRNVCOKBROP-CHWSQXEVSA-N 246.354 2.903 0 40 BFAB CCCCCC(=O)Nc1cccc(N)c1 8703407 XPCCFWSCQQDMIB-UHFFFAOYSA-N 206.289 2.788 0 40 BFAB in-vitro CCC(=O)Nc1ccc2scnc2c1 8737139 WUGDREKDVSIYLB-UHFFFAOYSA-N 206.270 2.645 0 40 BFAB CCCCOC(=O)[C@@]1(F)CC=CCC1 15443464 ILGWWQOHRCOPJP-LLVKDONJSA-N 200.253 2.778 0 40 BFAB C[C@@H]1CCC[C@@H](C)N1C(=O)Cc1ccccc1N 20155701 NOUTZRIVCRJYER-VXGBXAGGSA-N 246.354 2.601 0 40 BFAB O=C(O)c1cc2c(OC(F)(F)F)cccc2[nH]1 21951625 NXLKLROWBALFPC-UHFFFAOYSA-N 245.156 2.765 0 40 BFAB CCOC(=O)c1c(C)oc2c1C(=O)C[C@@H](C)C2 22126462 BOQJMRPXJVOXSH-SSDOTTSWSA-N 236.267 2.530 0 40 BFAB CC(=O)CC(=O)c1cc2ccccc2o1 26517016 GMANRRBOJFKOHH-UHFFFAOYSA-N 202.209 2.595 0 40 BFAB CC[C@H]1COC(=O)N1c1cccc(C(C)=O)c1 26894830 OHCCHBFAKAMJAY-NSHDSACASA-N 233.267 2.624 0 40 BFAB Cc1ccc2c(c1)S[C@@H](C(=O)N1CCCC1)C2 32876655 OEGWJBPHCJBZQR-CYBMUJFWSA-N 247.363 2.634 0 40 BFAB C[C@H](O)c1cc(F)ccc1N1CCCCC1 35631410 IKLAXQUYJJNIQD-JTQLQIEISA-N 223.291 2.869 0 40 BFAB O=Cc1c(Cl)cccc1OC(F)F 37461708 LJGMXMSOVURIKW-UHFFFAOYSA-N 206.575 2.754 0 40 BFAB in-vitro CNCc1c(C)nn(-c2ccccc2C)c1C 38342228 GSGOAIWYGOWBKD-UHFFFAOYSA-N 229.327 2.517 0 40 BFAB in-vitro CCOc1ccccc1CCC(=O)N[C@H](C)CC 40462828 RCBRUPKCFUNMBT-GFCCVEGCSA-N 249.354 2.933 0 40 BFAB CC1CCN([C@H](C)c2nc(C(C)C)no2)CC1 44583976 PJAWCZRHBOXDIV-LLVKDONJSA-N 237.347 2.986 0 40 BFAB Cc1ccc(C(=O)c2ccc(F)c(F)c2)nc1 45028568 HUEMIRCIONQBOB-UHFFFAOYSA-N 233.217 2.899 0 40 BFAB N[C@H]1CCCC[C@H]1Oc1ccccc1Cl 49960107 XVOFMHLSPVERMT-CMPLNLGQSA-N 225.719 2.989 0 40 BFAB Fc1cccc(Cl)c1CO[C@H]1CCCNC1 51787519 CERHMNMQRZGLJX-VIFPVBQESA-N 243.709 2.748 0 40 BFAB COc1ccc(NC(=O)C(C)(C)C)cc1C 56037749 AHIDAWAYTINKEO-UHFFFAOYSA-N 221.300 2.988 0 40 BFAB CCSc1nnc2ccc(C(F)(F)F)cn12 58564223 IDFOIDLTQOHGPL-UHFFFAOYSA-N 247.245 2.860 0 40 BFAB CC(C)c1cncnc1-c1cccc2ccnn12 72151020 FYZSEIYLVZOFQA-UHFFFAOYSA-N 238.294 2.915 0 40 BFAB CCCCOc1ccc2cc(N)cnc2c1 72226643 AVBQAGGVYAJJMF-UHFFFAOYSA-N 216.284 2.996 0 40 BFAB Cc1nc2cc(NC(=O)CC(C)C)ccc2[nH]1 74819671 PEXFRSXMECUZLK-UHFFFAOYSA-N 231.299 2.856 0 40 BFAB CCOc1ccc2c(c1)c(CNC)c(C)n2C 82604257 MXQAAZOCQZBTMK-UHFFFAOYSA-N 232.327 2.605 0 40 BFAB COc1ccc2[nH]cc(C(=O)C(F)(F)F)c2c1 89065125 NATVVLXPSYDGES-UHFFFAOYSA-N 243.184 2.922 0 40 BFAB CC[C@H](N)COCc1ccccc1OC(F)F 89262713 CWRROIPRJWBYJG-JTQLQIEISA-N 245.269 2.542 0 40 BFAB CCSC[C@@H](C)N(C)Cc1cccnc1 89275203 QVGFRAKHRVXORU-LLVKDONJSA-N 224.373 2.655 0 40 BFAB CC(C)C[C@H](CN)CC(=O)OCC1CCCC1 90809521 DTNFJRUTRFGOFP-ZDUSSCGKSA-N 241.375 2.731 0 40 BFAB Cc1nc(N)sc1-c1ccnc(C2(C)CC2)n1 95629746 XVAPOSXKBUGSEQ-UHFFFAOYSA-N 246.339 2.542 0 40 BFAB N[C@@H]1NC(c2ccc3ccccc3c2)=CS1 100296789 OSHPWAYVLQXRQQ-CYBMUJFWSA-N 228.320 2.717 0 40 BFAB CC[C@H](N[C@H](C)c1ccco1)[C@H]1CCCO1 108328790 AFCLUCZSZRNADU-NTZNESFSSA-N 223.316 2.888 0 40 BFAB Cc1ccc(F)cc1CN[C@H]1C[C@@H]2CC[C@@H]1O2 129093070 UONWEWRDJGPRJA-IHRRRGAJSA-N 235.302 2.544 0 40 BFAB Cc1ccccc1N1CCN[C@@H]2CCCC[C@H]21 218832014 FMXQQXOGVOSOTD-UKRRQHHQSA-N 230.355 2.716 0 40 BFAB Cc1c(Cl)cccc1N(C)CCCC(=O)O 224991142 NLHQPMPZMNICAD-UHFFFAOYSA-N 241.718 2.949 0 40 BFAB Cc1cc(C)cc(C[C@H](OC(C)C)C(=O)O)c1 225038344 CLESHVOAEYFIDD-ZDUSSCGKSA-N 236.311 2.724 0 40 BFAB CC(=S)SCC(=O)c1ccccc1 239562576 CWYCOFQCIZIHFL-UHFFFAOYSA-N 210.323 2.950 0 40 BFAB O=C(N[C@H]1CCC[C@@H]1F)c1cc2ccccc2[nH]1 585385556 DDACJGBFAXXTGE-JQWIXIFHSA-N 246.285 2.788 0 40 BFAB Cc1ncsc1-c1ccccc1CN 606277561 DMOBQPWQBKUKOS-UHFFFAOYSA-N 204.298 2.577 0 40 BFAB O=Cc1ccc(OCCF)cc1Cl 1776010740 POZJAYAIUGTYAM-UHFFFAOYSA-N 202.612 2.501 0 40 BFAB Cc1cccc(C)c1NC(=O)c1snnc1C 139061 FMMCUTKKLQMDNJ-UHFFFAOYSA-N 247.323 2.716 0 40 BFAB CCc1cccc(NC(=O)c2snnc2C)c1 385548 RROJXZTZLOPVKZ-UHFFFAOYSA-N 247.323 2.661 0 40 BFAB NCc1ccc(-c2nc3ccccc3o2)cc1 558530 XTFNBGUXOKGTDK-UHFFFAOYSA-N 224.263 2.954 0 40 BFAB in-vitro Clc1ccc2c(c1Cl)CCNCC2 1491495 WMCWIMZEYWNBOQ-UHFFFAOYSA-N 216.111 2.682 0 40 BFAB in-vivo O=Cc1[nH]c2ccccc2c1Br 1616680 BJYNPOMFNPNCHZ-UHFFFAOYSA-N 224.057 2.743 0 40 BFAB O=C(O)[C@@H](c1ccccc1)c1ccc(O)cc1 1696150 QKVDVFKHAJTZOJ-ZDUSSCGKSA-N 228.247 2.609 0 40 BFAB CCCOc1ccc(/C=C/C(=O)O)cc1OC 1771492 QLWJYHRZUFQUDK-FNORWQNLSA-N 236.267 2.582 0 40 BFAB CCOP(=O)(CC(=O)C(C)(C)C)OCC 1845680 LOUZJUCIRJMGHZ-UHFFFAOYSA-N 236.248 2.868 0 40 BFAB biogenic Cc1ccsc1C(=O)N[C@H](C)c1ccncc1 5226724 PFQFSFADMSWUGO-SNVBAGLBSA-N 246.335 2.943 0 40 BFAB Fc1ncccc1-c1cccnc1Cl 12359313 XJKOECSGYQHCPP-UHFFFAOYSA-N 208.623 2.936 0 40 BFAB Cc1c(-c2cccc(Cl)c2)n[nH]c1N 13424153 DPOCBFMWFFEFRT-UHFFFAOYSA-N 207.664 2.621 0 40 BFAB C[C@@H](CO)CCc1c[nH]c2ccccc12 14517478 OJDRKMFRRDQIRV-SNVBAGLBSA-N 203.285 2.729 0 40 BFAB biogenic Cc1ccc(Oc2cccnc2)c(N)c1 14629660 MTLURUSPEHHIKT-UHFFFAOYSA-N 200.241 2.765 0 40 BFAB Nc1nc2c(F)ccc(Cl)c2s1 15442798 XCUITTBSKCRPCT-UHFFFAOYSA-N 202.641 2.671 0 40 BFAB in-vitro NC1(CN2CCc3ccccc3C2)CCCCC1 20073142 FKBGULFSUSQTNW-UHFFFAOYSA-N 244.382 2.706 0 40 BFAB Cc1cccc(C(=O)Cc2ccc(F)cc2)n1 21984743 HMAHITRAFPEBFM-UHFFFAOYSA-N 229.254 2.955 0 40 BFAB C[C@@H](CC(=O)O)Cc1ccc(Cl)cc1 22023130 DYBYNFXXAQJRBN-MRVPVSSYSA-N 212.676 2.993 0 40 BFAB CC[C@@H](C)NC(=O)[C@@H](C)Oc1cccc(C)c1C 22515752 GYUDLADURWGUOF-DGCLKSJQSA-N 249.354 2.985 0 40 BFAB Cc1ccc(CN(C)C(=O)c2ccc[nH]2)c(C)c1 32819113 NAANRTAUYUGFCP-UHFFFAOYSA-N 242.322 2.904 0 40 BFAB O=C1CCCc2cc(Br)ccc2N1 34978295 RVPUXBJFIDCMLW-UHFFFAOYSA-N 240.100 2.724 0 40 BFAB CCOC(=O)c1cccc(OC(C)C)c1 43503592 GBISPESJLXKRGX-UHFFFAOYSA-N 208.257 2.651 0 40 BFAB CCC(=O)Nc1c(C)cc2nc(N)sc2c1C 45888318 CUCVWZNEHBZFOZ-UHFFFAOYSA-N 249.339 2.844 0 40 BFAB CCOC(=O)/C=C/c1ccc(Br)o1 57951091 ZYVHVHSWYAFZGD-GQCTYLIASA-N 245.072 2.618 0 40 BFAB Cc1cc(NCc2csnn2)ccc1F 61117198 IFTCXDCMXJAXFE-UHFFFAOYSA-N 223.276 2.598 0 40 BFAB Nc1cnn(Cc2ccc3ccccc3c2)c1 67800353 CWZXGPSTHQHMFI-UHFFFAOYSA-N 223.279 2.667 0 40 BFAB CNC(=O)c1cccc(O[C@@H]2C=CCCC2)c1 69629174 VCHABDIAPAOQDV-GFCCVEGCSA-N 231.295 2.534 0 40 BFAB O=C(O)C1(COc2ccccc2Cl)CCC1 85390456 FEHYSECDVQJQSJ-UHFFFAOYSA-N 240.686 2.974 0 40 BFAB COc1ncccc1NC(=O)C1(C)CCCC1 95950648 VXILZIIUGHWJRJ-UHFFFAOYSA-N 234.299 2.609 0 40 BFAB C/C=C/CSCC(=O)NC1CCCCC1 96404875 KMLLBJXGWVNGRI-NSCUHMNNSA-N 227.373 2.745 0 40 BFAB C[C@@H]1OCC[C@@H]1N1CC[C@H](Cc2ccccc2)C1 97032810 NVJDAWQODCUXIW-IMJJTQAJSA-N 245.366 2.728 0 40 BFAB CC(C)NC(=O)N(C1CCCC1)C1CC1 98016174 IRHYXBDFRACENH-UHFFFAOYSA-N 210.321 2.511 0 40 BFAB Cc1cc(NC(=O)[C@@H]2CC=CCC2)sn1 98016406 MSJUZFYZOFHTPS-SECBINFHSA-N 222.313 2.746 0 40 BFAB CC(C)CC(=O)N[C@@H](C)[C@H]1C[C@@H]2CC[C@@H]1C2 101702746 RTEATVNILBCDSE-UMSGYPCISA-N 223.360 2.973 0 40 BFAB CC[C@@H](O)CN(CC)[C@H](C)c1cccc(O)c1 110666447 WHLXZVWAUHGXSD-DGCLKSJQSA-N 237.343 2.546 0 40 BFAB C[C@H](CO)N[C@@H]1C[C@@H](c2ccccc2)C1(C)C 123001788 BUHSTDYMOSNGSY-KWCYVHTRSA-N 233.355 2.539 0 40 BFAB Cc1ccc(N[C@H]2CCCC[C@@H]2N)cc1 140361049 VCMDKOFTBSJQHR-STQMWFEESA-N 204.317 2.677 0 40 BFAB Cc1csc2c(N(C)C3CCC3)ncnc12 189983884 QMHVYKIOSVTSJZ-UHFFFAOYSA-N 233.340 2.988 0 40 BFAB CCCn1c(C(=O)OC)c(C=O)c2ccccc21 199821981 UDISKCOSILTEJI-UHFFFAOYSA-N 245.278 2.650 0 40 BFAB CC(C)n1cnc2cc(C(=O)O)c(Cl)cc21 214281294 XFLWLTWLEYVIHZ-UHFFFAOYSA-N 238.674 2.969 0 40 BFAB Cc1cc(C)c(N(C)CCCC(=O)O)c(C)c1 225005656 PDTPBZNAJFGECO-UHFFFAOYSA-N 235.327 2.913 0 40 BFAB CCn1c(CCC(=O)O)nc2cc(C)c(C)cc21 225295814 NSWQNUTXHQQIKR-UHFFFAOYSA-N 246.310 2.690 0 40 BFAB Clc1ccc2c(c1)CCC[C@@]21CCN1 306145367 CQBWVKFPGVBMPD-GFCCVEGCSA-N 207.704 2.865 0 40 BFAB Cc1ccc(O[C@H]2CCc3ccccc32)nn1 585652025 UUUYCVOMXKBIFV-ZDUSSCGKSA-N 226.279 2.851 0 40 BFAB Cc1ccc(-c2csc(CO)n2)cc1 76787 LCPBYVWZYHAONB-UHFFFAOYSA-N 205.282 2.611 0 40 BFAB CCOC(=O)COc1c(C)ccc(C)c1C 1513506 XDLUESKRNMLVFL-UHFFFAOYSA-N 222.284 2.554 0 40 BFAB C[C@H](COC(=O)c1ccccc1)NC1CCCC1 1709147 YBKXYTIXSKLDBF-GFCCVEGCSA-N 247.338 2.764 0 40 BFAB CCC[C@H](N)C12C[C@H]3C[C@H](CC(CN)(C3)C1)C2 4558361 WIRGLDXYFVCGGN-SORZLVKCSA-N 236.403 2.659 0 40 BFAB O=c1cc(-c2ccccc2)[nH]c2ncccc12 5647151 IPVMHKHKTQYJIL-UHFFFAOYSA-N 222.247 2.590 0 40 BFAB Cc1ccc(Nc2cccnc2S)nc1 5798939 YSXYDGMGWSKWPS-UHFFFAOYSA-N 217.297 2.817 0 40 BFAB Cc1cc(OCc2ccco2)ccc1N 14630776 ZDIKOLZXUHOYQZ-UHFFFAOYSA-N 203.241 2.749 0 40 BFAB in-vitro CN(C)c1ccc([C@@H]2CCCC[C@H]2O)cc1 15440942 ZXKTVAKRBCYSID-UONOGXRCSA-N 219.328 2.771 0 40 BFAB COC(=O)CCSCc1ccccc1F 16971078 GVBJRCCJKVJWLZ-UHFFFAOYSA-N 228.288 2.622 0 40 BFAB CN(C)[C@H](CN)c1ccc(C(C)(C)C)cc1 19796059 FSIBMZQSKDDKDU-CYBMUJFWSA-N 220.360 2.546 0 40 BFAB CC1CCN(CCc2cccc(N)c2)CC1 20192000 LKJFOFILEZIHDC-UHFFFAOYSA-N 218.344 2.543 0 40 BFAB in-vitro CCn1cc(NCc2ccccc2)cn1 20350407 BARSNKXTLCPPSF-UHFFFAOYSA-N 201.273 2.515 0 40 BFAB Cc1c(NC[C@H](C)c2ccccc2)cnn1C 20351707 CBBBZXFQVWMRFU-NSHDSACASA-N 229.327 2.944 0 40 BFAB N=C(N)c1ccc2ccc(C(F)(F)F)nc2c1 26898104 MVKIZZOCYNJDSQ-UHFFFAOYSA-N 239.200 2.538 0 40 BFAB Cc1cccc([C@H](O)CNCc2ccccc2)c1 32090498 CZGHSTOKSHJRHA-MRXNPFEDSA-N 241.334 2.818 0 40 BFAB O=C(c1ccc2c(c1)CCO2)C1CCCC1 36942090 UANVRGNHSAUYMB-UHFFFAOYSA-N 216.280 2.994 0 40 BFAB N[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 37381586 IJUBEDIWPVVNLP-RKDXNWHRSA-N 201.191 2.520 0 40 BFAB OC1CC(c2ccc(Br)cc2)C1 37461723 DUZJORQWSPNAKY-UHFFFAOYSA-N 227.101 2.687 0 40 BFAB in-vitro O=C(O)C1=C(c2ccccc2)SCCS1 40541988 WMCHDIZNUBYDSR-UHFFFAOYSA-N 238.333 2.920 0 40 BFAB CCCCCC(=O)Nc1n[nH]c(-c2ccoc2)n1 40556402 GQKXJXLSNPZRPN-UHFFFAOYSA-N 248.286 2.584 0 40 BFAB COC(=O)CCC(=O)c1ccc(C(C)C)cc1 43368585 DDOLHMKAFYWLGI-UHFFFAOYSA-N 234.295 2.946 0 40 BFAB C[C@@H]1CCCN(Cc2nnc(C(C)(C)C)o2)C1 46837858 JBQSKKZFMATJSI-SNVBAGLBSA-N 237.347 2.599 0 40 BFAB CNC(=O)c1c[nH]cc1-c1ccc(Cl)s1 48990237 DXNVXKYYRJFWRQ-UHFFFAOYSA-N 240.715 2.756 0 40 BFAB CN(C(=O)Nc1cccc2cccnc12)C1CC1 49516420 XNGVAYGQPADJJT-UHFFFAOYSA-N 241.294 2.861 0 40 BFAB Nc1ccccc1Cc1nc2ccccc2[nH]1 53200451 PAHMGEWDYDMVLE-UHFFFAOYSA-N 223.279 2.736 0 40 BFAB CN[C@H]1CCCN(Cc2ccccc2Cl)C1 53201409 GZFWJSTZGYGNLD-LBPRGKRZSA-N 238.762 2.524 0 40 BFAB c1csc(CN[C@H]2CCCSC2)c1 61571950 HKWZDLWKKIASJU-VIFPVBQESA-N 213.371 2.733 0 40 BFAB Cc1nn(C)c(N)c1-c1ccc(F)cc1Cl 62609726 KZSPGJBDGVYELW-UHFFFAOYSA-N 239.681 2.770 0 40 BFAB O=C(Nc1ccc2c(c1)CCN2)c1ccccc1 63187995 GQZSHSMLOYCDAM-UHFFFAOYSA-N 238.290 2.907 0 40 BFAB CN[C@@H]1CCc2ccc(Br)cc21 70453309 VMOGBOBURVTQOJ-SNVBAGLBSA-N 226.117 2.656 0 40 BFAB in-vitro NC1([C@H](O)c2ccc(F)cc2)CCCCC1 71525022 NPYYGMJPKBXIOB-GFCCVEGCSA-N 223.291 2.521 0 40 BFAB CCN(C)C(=O)NCCc1ccccc1Cl 71892316 RLEUOSLJIBIDCE-UHFFFAOYSA-N 240.734 2.544 0 40 BFAB CCN1CCC[C@H]1c1cccnc1S 72217053 PNCPRQRCDNAIQX-JTQLQIEISA-N 208.330 2.527 0 40 BFAB Cc1cncnc1[C@H]1CCCCN1CC1CC1 72361358 XGTSLUUYKFLZQW-CYBMUJFWSA-N 231.343 2.722 0 40 BFAB COc1c(C)cc(Br)cc1C=O 84326845 ALKVVDLHOTYSSC-UHFFFAOYSA-N 229.073 2.579 0 40 BFAB CC[C@H]1Oc2cc(Br)ccc2[C@@H]1N 87015751 UIWMYSLDMCUPGG-SCZZXKLOSA-N 242.116 2.620 0 40 BFAB Cc1ncccc1OCc1nccn1C(F)F 96007475 OQKVLKVEWUKINU-UHFFFAOYSA-N 239.225 2.561 0 40 BFAB CC(C)Oc1c(Cl)csc1C(=O)O 96510950 VMQHZPJPUIWYRE-UHFFFAOYSA-N 220.677 2.887 0 40 BFAB O=C(CC[C@@H]1CCCO1)OC[C@@H]1CC=CCC1 97213161 AWIUNVJQQPDLIL-OLZOCXBDSA-N 238.327 2.845 0 40 BFAB COC(=O)[C@H]1CCC2(C1)SCCCS2 217905516 NJMWRKWIKBDXKX-QMMMGPOBSA-N 232.370 2.526 0 40 BFAB CN(C)c1ncc(Br)c2occc12 218704204 GFVDWQVBTZYQDL-UHFFFAOYSA-N 241.088 2.656 0 40 BFAB Cc1ccc(C)c(N[C@H]2CCCC[C@@H]2N)c1 218862500 NZRYCRAMATYRQM-STQMWFEESA-N 218.344 2.985 0 40 BFAB CC[C@@H](C(=O)O)N(C)c1cccc(Cl)c1 224988170 SFIOWECRIFLTRO-JTQLQIEISA-N 227.691 2.639 0 40 BFAB O=c1cc(C(F)F)c2cc(F)ccc2[nH]1 225758226 DTHFIDMEQGVKOK-UHFFFAOYSA-N 213.158 2.605 0 40 BFAB CC(C)Cn1ncc2cc(C=O)ccc21 242648322 QSJORQAUQWXHDJ-UHFFFAOYSA-N 202.257 2.505 0 40 BFAB CC(C)N1CC[C@@H](c2cc3cccnc3[nH]2)C1 2037644220 NNDDFMPTMJAVIR-GFCCVEGCSA-N 229.327 2.761 0 40 BFAB CC(=O)c1csc(-c2csc(C)n2)n1 122741 DYZFPIQKTUEXNE-UHFFFAOYSA-N 224.310 2.778 0 40 BFAB O=C(Nc1cccnc1)OCc1ccccc1 189547 WKCRLJFVJSENNX-UHFFFAOYSA-N 228.251 2.830 0 40 BFAB C[C@@H](NC(=O)c1ccccc1)c1ccc(O)cc1 1445995 AIXMWCAPWLPPLG-LLVKDONJSA-N 241.290 2.883 0 40 BFAB CCCCCC=C(C(=O)OCC)C(=O)OCC 1600392 XLMIJZNPBJRMBG-UHFFFAOYSA-N 242.315 2.619 0 40 BFAB CC(C)(C)NC(=O)NCc1ccc(Cl)cc1 1738824 BHIJZPLQRQQCEK-UHFFFAOYSA-N 240.734 2.938 0 40 BFAB CCCNC(=O)c1cc2cc(C)ccc2[nH]1 4696067 WKVBNOZHHUQWSY-UHFFFAOYSA-N 216.284 2.616 0 40 BFAB c1n[nH]cc1C12CC3CC(CC(C3)C1)C2 6091382 KJMFWFDGPIISAX-UHFFFAOYSA-N 202.301 2.878 0 40 BFAB CC(C)C(=O)Nc1cccc2ncccc12 6159526 WYHPMRHGYPRQCO-UHFFFAOYSA-N 214.268 2.829 0 40 BFAB CC(=O)c1ccc(C(=O)NC2CCCC2)s1 7951186 BYUTYTKBTBIARX-UHFFFAOYSA-N 237.324 2.623 0 40 BFAB N[C@@H]1CCc2c(Cl)cc(Cl)cc21 8699607 CWQMXJLBEVRHSZ-SECBINFHSA-N 202.084 2.939 0 40 BFAB CCC[C@@H](Nc1cc(C)ccc1C)C(=O)O 8702815 KYEUMJSHIGPAHL-LLVKDONJSA-N 221.300 2.969 0 40 BFAB O=Cc1ccc(OCCOc2ccccc2)cc1 8727109 PFZXOUAOLHEJAQ-UHFFFAOYSA-N 242.274 2.957 0 40 BFAB CCCCc1c(N)nc(N)nc1-c1ccccc1 13283463 RXYSBYHAPFSHDI-UHFFFAOYSA-N 242.326 2.651 0 40 BFAB CCn1nccc1C(=O)Nc1cc(C)cc(C)c1 13699181 WCUSVQMIUPFXQL-UHFFFAOYSA-N 243.310 2.772 0 40 BFAB Sc1nnc(-c2c[nH]c3ccccc23)o1 15952969 UVHFDWVKCUDWIL-UHFFFAOYSA-N 217.253 2.507 0 40 BFAB CCCc1ccc(NC(=O)CCCC(=O)O)cc1 16478272 ZEEKAMSOEINPKO-UHFFFAOYSA-N 249.310 2.833 0 40 BFAB CC1=CO[C@](C)([C@H]2N[C@H](C)CC(C)(C)N2)CC1 19325717 OCRUJCNPOFTYIS-DYEKYZERSA-N 238.375 2.535 0 40 BFAB COc1ccc([C@H](N)C(F)(F)F)c(C)c1 19972194 FMWJMMCPRYGRIU-VIFPVBQESA-N 219.206 2.566 0 40 BFAB Cc1cc(C(=O)Nc2nc(C3CC3)cs2)no1 26050637 SYNLVTAHGMNNTO-UHFFFAOYSA-N 249.295 2.569 0 40 BFAB C[C@H](NCc1ccccc1)C(F)(F)F 34071248 BDFXCYINJQZXHU-QMMMGPOBSA-N 203.207 2.727 0 40 BFAB CCc1nn(-c2ccccc2)c(Cl)c1C=O 36905249 BAJUZEPGMAECIJ-UHFFFAOYSA-N 234.686 2.901 0 40 BFAB CCc1nc2cc(C(=O)O)ccc2n1CC(C)C 37309714 XTTPQPCEOBVQEI-UHFFFAOYSA-N 246.310 2.953 0 40 BFAB COc1ccc(Cl)c2c1CCCC2=O 38888969 LRRYWUSMKNJHTH-UHFFFAOYSA-N 210.660 2.868 0 40 BFAB COc1ccc([C@@H](O)c2ccoc2)cc1F 40263110 GIEUTIWBKKEGIA-GFCCVEGCSA-N 222.215 2.509 0 40 BFAB COc1ccc2nc(C)cc(-n3ccnc3)c2c1 41478884 MYRQWQYPLZLEPK-UHFFFAOYSA-N 239.278 2.738 0 40 BFAB Clc1ccnc(CCc2ccccc2)n1 42406883 QHMYIIBCWBRSEC-UHFFFAOYSA-N 218.687 2.915 0 40 BFAB CC(C)COc1ccc(CO)cc1Cl 43490040 QXHYKEXFURZWRL-UHFFFAOYSA-N 214.692 2.867 0 40 BFAB CN(C)c1c(N)cc(Cl)cc1Br 45886122 DJKCXIQXELGBHU-UHFFFAOYSA-N 249.539 2.751 0 40 BFAB c1ccc2c(c1)CCC[C@H]2Sc1ncn[nH]1 46875586 GJYKIPDMYHRNRX-LLVKDONJSA-N 231.324 2.974 0 40 BFAB CC(C)C(=O)N[C@H]1CCCOc2ccccc21 69490903 QCCLKEVSGSXKKM-LBPRGKRZSA-N 233.311 2.673 0 40 BFAB C[C@@H](O[C@@H]1CCCNC1)c1ccccc1 70265935 RSDFTWILXXYBMB-DGCLKSJQSA-N 205.301 2.516 0 40 BFAB Cc1ccccc1[C@@](C)(CO)N1CCCCC1 70453406 XLODEUOVDNKETI-OAHLLOKOSA-N 233.355 2.688 0 40 BFAB CC(C)CNc1ccc([C@@H]2CCCN2C)cn1 72213299 SSGWODYVFJRHJE-ZDUSSCGKSA-N 233.359 2.916 0 40 BFAB CCN1CCC[C@H]1c1cnc(OC)cc1C 72218008 ABFPSNKUMMSLSW-LBPRGKRZSA-N 220.316 2.555 0 40 BFAB CCc1nc([C@@H]2CCCN2CC2CCCC2)no1 78724149 QTWIBTHQXIZDLW-LBPRGKRZSA-N 249.358 2.959 0 40 BFAB Cc1cc(NC(=O)c2c(F)cccc2F)ccn1 79001757 QXIVQIAIBAPIID-UHFFFAOYSA-N 248.232 2.921 0 40 BFAB FC(F)(F)c1nc(Cl)c2cc[nH]c2n1 85223475 RQVQKRMJPKVDST-UHFFFAOYSA-N 221.569 2.630 0 40 BFAB CCOc1c(F)cc(F)cc1C(C)=O 95731851 VLDRLHSPHPOSPN-UHFFFAOYSA-N 200.184 2.566 0 40 BFAB Cc1cc(O)n(-c2ccc(F)c(Cl)c2)n1 100166293 NRSPUGAZMDBULT-UHFFFAOYSA-N 226.638 2.679 0 40 BFAB O=C(Nc1ccccc1)c1cnc(C2CC2)nc1 222592933 OYWQJYNDSOLCKP-UHFFFAOYSA-N 239.278 2.606 0 40 BFAB CCC(=O)Nc1cc(C)c2nc(N)sc2c1 226308626 LQWPVNSTANTXES-UHFFFAOYSA-N 235.312 2.535 0 40 BFAB CCSCCCN[C@H]1CSC1(C)C 308490569 QYYKAKSPWLVDNP-VIFPVBQESA-N 219.419 2.613 0 40 BFAB CCOc1ccc(Nc2ncc(C)c(O)n2)cc1 408979307 MJVRXCZZXQHUDD-UHFFFAOYSA-N 245.282 2.633 0 40 BFAB CCCCSc1nc(O)cc(C2CC2)n1 470445684 NEWRHOBIISSAIX-UHFFFAOYSA-N 224.329 2.952 0 40 BFAB Nc1ncc(-c2ccc(C3CC3)s2)cn1 716589769 UBFHOJIOHNJYHJ-UHFFFAOYSA-N 217.297 2.665 0 40 BFAB CC1(C)Cn2c(nnc2-c2cccc(O)c2)S1 340584 ZYFUBACAUREHDG-UHFFFAOYSA-N 247.323 2.535 0 40 BFAB CCCCOCCOc1ccc(C(=O)O)cc1 1726633 QVHYMIBTDQPVLI-UHFFFAOYSA-N 238.283 2.580 0 40 BFAB Nc1nc(-c2ccc(-c3ccccc3)cc2)n[nH]1 3723218 WKRAFFFBIATERY-UHFFFAOYSA-N 236.278 2.721 0 40 BFAB C[C@H]1CN1C(=O)Nc1cccc(Cl)c1 5640186 SINSKRXWZHNCEX-OGUFLRPBSA-N 210.664 2.576 0 40 BFAB O=C(CCc1ccco1)NCc1ccccc1F 9315066 UAXIATUMTMOMOW-UHFFFAOYSA-N 247.269 2.668 0 40 BFAB C[C@@H](NC(=O)c1cccc(F)c1)c1ccccn1 12546120 FTRNVWABSATDAZ-SNVBAGLBSA-N 244.269 2.712 0 40 BFAB O=C1CCCC[C@H]1COC[C@H]1CCCCC1=O 16891601 DZGKWALXSURTBW-TXEJJXNPSA-N 238.327 2.522 0 40 BFAB O=c1cc(-c2ccc(Cl)cc2)[nH]c(=S)[nH]1 16972267 LTQWTYKQCZSHGX-UHFFFAOYSA-N 238.699 2.753 0 40 BFAB Nc1ccc2c(c1)nc(CO)n2C1CCCCC1 19894366 LNXBDHBMFQHJCU-UHFFFAOYSA-N 245.326 2.616 0 40 BFAB C[C@H](NCc1cnn(C)c1)c1ccccc1Cl 20124119 WWBHWZXSDXQJTC-JTQLQIEISA-N 249.745 2.924 0 40 BFAB O=C(c1cc2c(F)cccc2[nH]1)N1CCCC1 23876552 BUMQUJPTAAGPPV-UHFFFAOYSA-N 232.258 2.543 0 40 BFAB CC(C)(C)C(=O)N1CCO[C@@H](c2ccccc2)C1 24012934 SYEKUVWIBUDQBX-CYBMUJFWSA-N 247.338 2.633 0 40 BFAB NCCc1c[nH]c2cccc(C(F)(F)F)c12 26894227 ODDZYKIMCAXEAO-UHFFFAOYSA-N 228.217 2.688 0 40 BFAB CCCCCNC(=O)c1ccc(F)c(F)c1 28210434 XSZZEZIGFDGCHR-UHFFFAOYSA-N 227.254 2.885 0 40 BFAB CC(C)Oc1ccc(CNC2CC2)cc1 32010559 HMUDYTAFZTXVBU-UHFFFAOYSA-N 205.301 2.726 0 40 BFAB Cc1ccc(C(=O)N(C)[C@@H](C)C2CC2)s1 32907029 PWPXOHKFSBNJNB-VIFPVBQESA-N 223.341 2.927 0 40 BFAB O=C1CCC[C@@H](OCc2ccccc2)C1 34484862 DTRKMFPYPATAJO-CYBMUJFWSA-N 204.269 2.715 0 40 BFAB in-vitro COCOc1ccc(C(F)(F)F)cc1 34599918 VWVUGKXYBUTSFI-UHFFFAOYSA-N 206.163 2.688 0 40 BFAB in-vitro CCc1sc(=O)[nH]c1-c1ccccc1 34669988 CIPBLWZURGPAOC-UHFFFAOYSA-N 205.282 2.666 0 40 BFAB COc1cccc([C@@H](O)c2ccsc2)c1 37464921 JTPPEGQHZODPPZ-GFCCVEGCSA-N 220.293 2.838 0 40 BFAB COC(=O)c1cccc(Oc2ccccc2)n1 39328409 UYCJBIXAXDWOTK-UHFFFAOYSA-N 229.235 2.661 0 40 BFAB Brc1ccnc(OC2CCCC2)n1 44117983 HFZIVQWYZFUNAZ-UHFFFAOYSA-N 243.104 2.561 0 40 BFAB Cc1cccc(CNCCOc2ccccn2)c1 45945499 BIYRLYYWMROFQI-UHFFFAOYSA-N 242.322 2.559 0 40 BFAB CC[C@@H](C)N(C)C(=O)Nc1ccccc1OC 47275260 HWSLXJNIRWEXTO-SNVBAGLBSA-N 236.315 2.957 0 40 BFAB O=C(Cc1cccs1)N[C@H]1C[C@H]2CC[C@@H]1C2 72117527 ZBVDVQBTTJYKPL-UMNHJUIQSA-N 235.352 2.595 0 40 BFAB CCC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C 72208928 RKPIWBUCNARYMB-SNVBAGLBSA-N 229.320 2.515 0 40 BFAB Cc1ccc(S[C@H](C)C(=O)N(C)C)cc1C 72276969 XTRQBDWQJQFLEJ-LLVKDONJSA-N 237.368 2.872 0 40 BFAB COCCCCC(=O)Nc1cccc(F)c1C 73394175 NTRZHNGLNPJLNB-UHFFFAOYSA-N 239.290 2.889 0 40 BFAB Cc1c(Br)cccc1[C@H](C)N 83592013 RRAICCSPOPJDTO-ZETCQYMHSA-N 214.106 2.777 0 40 BFAB C[C@H](C(=O)Nc1nccs1)c1ccccc1 85423545 RUWBQESMSKMVFE-VIFPVBQESA-N 232.308 2.885 0 40 BFAB Cc1cc(Br)cc(N)c1OCCF 87774158 RVEIVQSOJQXNGO-UHFFFAOYSA-N 248.095 2.688 0 40 BFAB CC[C@@H]1CCCN(C(=O)[C@@H]2CCCS2)C1 89948289 JLMMBFMKXYIXQH-MNOVXSKESA-N 227.373 2.531 0 40 BFAB OCCN[C@H](c1ccc(Cl)cc1)C1CCC1 95984957 QIIOEUHTHDPOGH-ZDUSSCGKSA-N 239.746 2.763 0 40 BFAB Nc1ccc(Cl)nc1NCc1ccccc1 96311483 YFDFSUGFSYUYHP-UHFFFAOYSA-N 233.702 2.929 0 40 BFAB COC(=O)c1ccc(Cl)c(SC)c1F 198757402 DOGJPYWMJUMODC-UHFFFAOYSA-N 234.679 2.988 0 40 BFAB Fc1ccc([C@@H]2NCCc3occc32)cc1 215504544 XZZPTZQMSVEWCF-ZDUSSCGKSA-N 217.243 2.654 0 40 BFAB C1CCC(N2CCN[C@H]3CCCC[C@H]32)CC1 218827681 KLNNTSMKRXXOKT-UONOGXRCSA-N 222.376 2.536 0 40 BFAB CCCc1ccc(CNCc2ccco2)n1C 226020736 QPGGFYPSVSNTMY-UHFFFAOYSA-N 232.327 2.860 0 40 BFAB CCCC[C@H]1C[C@@H](NC(C)=O)[C@@H]2CCC[C@H]2O1 257221621 DPWZBNPCYIEENL-IGQOVBAYSA-N 239.359 2.639 0 40 BFAB COc1ccc(-c2nccc(Cl)n2)cc1 191831 UIESIOWFOXFWRJ-UHFFFAOYSA-N 220.659 2.806 0 40 BFAB in-vitro Cc1ccc2nc3c(c(C(=O)O)c2c1)CCC3 338234 HGRJPRALNIGYKS-UHFFFAOYSA-N 227.263 2.730 0 40 BFAB O=c1cc(O)n(-c2ccccc2)c2ccccc12 2707796 AZRSJQZWFYUFBJ-UHFFFAOYSA-N 237.258 2.696 0 40 BFAB biogenic Cc1cc(N2C[C@@H](C)O[C@H](C)C2)nc(C(C)C)n1 4087967 BHGVTJFROQCXLB-VXGBXAGGSA-N 249.358 2.522 0 40 BFAB CC1(C)[C@@H]2CC[C@@H](O)[C@@]3(C)CC[C@](C)(O)[C@H]3[C@@H]21 4104720 NRGJKTHILQTODV-RQVRSSQJSA-N 238.371 2.581 0 40 BFAB biogenic,in-vitro CCCCCCS[C@@H]1C=CS(=O)(=O)C1 4772738 HUQJUQVTBCVIHN-SNVBAGLBSA-N 234.386 2.611 0 40 BFAB Cn1ccnc1SCc1ccccc1F 5941967 CXWVOTXLAYEWJW-UHFFFAOYSA-N 222.288 2.852 0 40 BFAB CC(C)(C)OC(=O)Nc1ccc2nc[nH]c2c1 8699976 IBUAABBZOJRHDZ-UHFFFAOYSA-N 233.271 2.910 0 40 BFAB OCc1cccn1-c1cccc(C(F)(F)F)c1 8701639 MDUNDGYAAIYHPC-UHFFFAOYSA-N 241.212 2.988 0 40 BFAB OCc1ccc(N2CCCC2)c2ccccc12 8701654 GENVSRAKWPKNNX-UHFFFAOYSA-N 227.307 2.932 0 40 BFAB C[C@@H]1C[C@@H](C)CN(Cc2cccc(C(=O)O)c2)C1 8730763 VAWZGBRAFHERAI-VXGBXAGGSA-N 247.338 2.863 0 40 BFAB O=C1NC(=O)/C(=C/C=C\c2ccccc2)S1 12433056 XABHYXPBBJGVRA-NIQHGUSQSA-N 231.276 2.567 0 40 BFAB CCONC(=O)c1cc(Cl)ccc1Cl 12792979 KGSVOOYCFFLTCB-UHFFFAOYSA-N 234.082 2.675 0 40 BFAB NC[C@@H](c1cccs1)N1CCCCCC1 19201145 HFJGSTGLKXVXAC-NSHDSACASA-N 224.373 2.624 0 40 BFAB Cc1nn(-c2ccc(F)cc2F)c(C)c1C=O 19437635 INEVOTSMFVMARO-UHFFFAOYSA-N 236.221 2.580 0 40 BFAB in-vitro Cc1cc(N)ccc1NC(=O)c1cccc(F)c1 20343204 RQGURGOIVWHYOX-UHFFFAOYSA-N 244.269 2.969 0 40 BFAB Nc1ccc(Cl)cc1OCC(F)(F)F 33425109 KLRUDTNBNBHCES-UHFFFAOYSA-N 225.597 2.863 0 40 BFAB in-vitro C[C@H]1C[C@@H]1c1cc(N)n(-c2ccccc2)n1 36938403 ZWVAZCFZYJSBEE-ONGXEEELSA-N 213.284 2.578 0 40 BFAB in-vitro C=CC(=O)N(Cc1ccco1)Cc1ccco1 37828564 QGMMYRWOETYANF-UHFFFAOYSA-N 231.251 2.587 0 40 BFAB CCCCC(=O)N[C@@H](C)Cc1cccs1 38935400 ANAMRBZPGLBZGN-JTQLQIEISA-N 225.357 2.986 0 40 BFAB CC(C)n1nc(-c2ccc(F)cc2)cc1N 40926721 GNKVCCTUNBRNTE-UHFFFAOYSA-N 219.263 2.852 0 40 BFAB Cc1ccc2[nH]c(SC(=O)N(C)C)nc2c1 44790645 XDWIWDCTKXKOCS-UHFFFAOYSA-N 235.312 2.645 0 40 BFAB C[C@@H](O)Cc1ccccc1C(F)(F)F 58003584 MHJYFVKQUMFNTH-SSDOTTSWSA-N 204.191 2.629 0 40 BFAB in-vitro N[C@H]1CCCc2sc(Br)cc21 60233928 ZAQSQDFPUXJWTR-LURJTMIESA-N 232.146 2.847 0 40 BFAB c1cc(-c2ccco2)cc(-n2cnnc2)c1 65536595 IOTKOAADVSEZSB-UHFFFAOYSA-N 211.224 2.527 0 40 BFAB O=Cc1cc(C(F)(F)F)cc2[nH]ccc12 89204525 JAIQXXZQYBEMNU-UHFFFAOYSA-N 213.158 2.999 0 40 BFAB Clc1cc(N2CCCCC2)nc(Cl)n1 91363856 CASRJOHSHYGIKB-UHFFFAOYSA-N 232.114 2.774 0 40 BFAB Cc1ccc(-c2csc(N(C)C)n2)cc1N 95097228 NDAMJILOWQRWJZ-UHFFFAOYSA-N 233.340 2.767 0 40 BFAB Cc1cc([C@@H](C)N[C@H]2CCOC2)cc(C)c1F 95423369 LUBDCCGXARADHC-YPMHNXCESA-N 237.318 2.882 0 40 BFAB Cc1cccc([C@@H](O)CCC2OCCCO2)c1 95728582 OSKLNMWOAKCXFK-ZDUSSCGKSA-N 236.311 2.572 0 40 BFAB CC[C@H](O)CN[C@H](C)[C@@H](C)c1ccccc1 97110026 PXEKSGOZQYXUGP-BZPMIXESSA-N 221.344 2.539 0 40 BFAB CNC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1 98012985 RDLJUWVBENIGFL-CHWSQXEVSA-N 217.312 2.660 0 40 BFAB Cc1cc(OCc2noc(C(C)C)n2)cc(C)n1 128161955 MKWDGXIPPWLWFR-UHFFFAOYSA-N 247.298 2.784 0 40 BFAB COc1cc(Br)c(O)cc1Cl 217051545 GXLLFLVFSKBTKH-UHFFFAOYSA-N 237.480 2.817 0 40 BFAB c1ccc2c(N3C4CCC3CC4)ncnc2c1 635490327 PJZCCVSCKSIKLI-UHFFFAOYSA-N 225.295 2.761 0 40 BFAB O=C(c1c[nH]c2ccccc12)N1CC[C@@H](CF)C1 711492972 WGTJPTNGYUALRX-JTQLQIEISA-N 246.285 2.600 0 40 BFAB CCOC(=O)[C@@H]1CC=CC[C@H]1c1cccnc1 165728 ATAHZGDGVWUBCW-QWHCGFSZSA-N 231.295 2.695 0 40 BFAB c1cc2[nH]c3c(c2c2nonc12)CCCC3 210072 RRVHUDPMBZLKCO-UHFFFAOYSA-N 213.240 2.583 0 40 BFAB Cc1nc(Cl)c(C=O)n1-c1ccccc1 333756 ZQGAEWCUVUYFQB-UHFFFAOYSA-N 220.659 2.647 0 40 BFAB O=C(/C=C/c1ccco1)N1CCCCCC1 573088 WQFVJLAHMIRVPQ-BQYQJAHWSA-N 219.284 2.695 0 40 BFAB CCCOC(=O)COc1ccc(Cl)cc1C 1719120 DVMRDJHXBLTNCC-UHFFFAOYSA-N 242.702 2.980 0 40 BFAB c1ccc2c(c1)C1=NCCN1c1ccccc1-2 1726347 BOXYVDQJGZULRA-UHFFFAOYSA-N 220.275 2.934 0 40 BFAB CN(C)[C@@H]1CCC[C@@H](OC(=O)c2ccccc2)C1 2022230 JBVFPGXAVRVORZ-ZIAGYGMSSA-N 247.338 2.716 0 40 BFAB O=c1cnn(-c2ccccc2)c(-c2ccccc2)c1 3173422 VOHGVOUZCNKYHX-UHFFFAOYSA-N 248.285 2.900 0 40 BFAB C[C@H]1CCCCN1C(=O)[C@H]1CC=CCC1 6037518 KRHYGGFLEBNTHQ-RYUDHWBXSA-N 207.317 2.744 0 40 BFAB CCCC(CCC)C(=O)NCc1cccnc1 8714233 IXSFUFRHFRIOGN-UHFFFAOYSA-N 234.343 2.914 0 40 BFAB NCc1ccc(OCCc2ccccc2)cc1 11800882 AZDSFIWXFCFXEP-UHFFFAOYSA-N 227.307 2.767 0 40 BFAB CCOc1cc(Br)ccc1O 11949682 FHIRTCZQNMPCJR-UHFFFAOYSA-N 217.062 2.553 0 40 BFAB COc1cccc(/C=C(\Cl)[N+](=O)[O-])c1 12410574 PJOAXHFJCQZQMA-RMKNXTFCSA-N 213.620 2.509 0 40 BFAB O[C@@H]1CCCC[C@H]1c1ccc(F)c(F)c1 15440925 IUZJQZVSOALILO-JOYOIKCWSA-N 212.239 2.983 0 40 BFAB CCOC(=O)/C=C(/C)Nc1ccc(F)cc1 16682080 BUDOLSNUNUYBLF-HJWRWDBZSA-N 223.247 2.705 0 40 BFAB CC(=O)c1c(C2CC2)[nH]c2ncccc12 19023109 WLRMQLSYDBXILH-UHFFFAOYSA-N 200.241 2.643 0 40 BFAB CC[C@@H](N[C@H](C)COC)c1ccccc1 19904526 IIBMQZZXJOXUJV-DGCLKSJQSA-N 207.317 2.762 0 40 BFAB Cc1cc(C(=O)N2CCCCCC2)c(C)o1 20344804 BJDDMQYXICYOEJ-UHFFFAOYSA-N 221.300 2.913 0 40 BFAB O=C(O)c1ncsc1-c1ccc(F)cc1 20357796 JZMLWMLVMILJNO-UHFFFAOYSA-N 223.228 2.647 0 40 BFAB Cc1ccc(NC(=O)n2ccnc2C)cc1 28225062 QNQDNHPOUMIJDJ-UHFFFAOYSA-N 215.256 2.580 0 40 BFAB CCC(CC)C(=O)Nc1ncc(C)s1 28225887 YSOYWGVKKHGRMY-UHFFFAOYSA-N 212.318 2.826 0 40 BFAB CO[C@H](C)c1cccc(-c2cc(C)nc(N)n2)c1 32516086 CTMAXPALPRJMHU-SNVBAGLBSA-N 243.310 2.742 0 40 BFAB Cc1nc2ccccc2n1CC(=O)C(C)(C)C 32666275 RVKGYBSBOZNEPM-UHFFFAOYSA-N 230.311 2.960 0 40 BFAB C[C@H](NC(=O)C1CCCC1)c1ccco1 32739446 UMAIMZSZFNAMTR-VIFPVBQESA-N 207.273 2.647 0 40 BFAB C[C@H]1C[C@@H]1C(=O)Nc1cccc2ncccc12 32750124 JSTKKYQEQZNXOC-ONGXEEELSA-N 226.279 2.829 0 40 BFAB Cc1ccc(O[C@H]2CCCNC2)c(Cl)c1 42775105 LLAMXZYBKSQUGX-JTQLQIEISA-N 225.719 2.779 0 40 BFAB CN(CC[C@@H]1CCCNC1)C1CCCCC1 42783369 APDKCTUOVXSYTM-ZDUSSCGKSA-N 224.392 2.641 0 40 BFAB CCOC(=O)c1c[nH]c2cc(C)ccc12 44201089 JHKVKHVMRYKOBW-UHFFFAOYSA-N 203.241 2.653 0 40 BFAB C/C=C/C=C/C(=O)Nc1ccc(C(=O)O)c(C)c1 44749869 XDFAJFSURQDIBM-VNKDHWASSA-N 245.278 2.764 0 40 BFAB COC[C@@H](C)CN[C@H](C)c1ccccc1C 45656256 SCXFPWFTIFTJPQ-WCQYABFASA-N 221.344 2.928 0 40 BFAB CC[C@@H](C)Oc1cc(Cl)nc(C)n1 52835000 RNJQNJGTUUSIIQ-ZCFIWIBFSA-N 200.669 2.616 0 40 BFAB Cc1cc(C)n(C2CN(CC3CCCC3)C2)n1 71880669 FRFAPLTYUJYRQT-UHFFFAOYSA-N 233.359 2.547 0 40 BFAB O=Cc1ccc(N2CCc3ccccc32)nc1 72225800 MUARKZVUJPGSGC-UHFFFAOYSA-N 224.263 2.588 0 40 BFAB C[C@@H]1CO[C@H](c2ccc(Br)cc2)O1 72232642 WOCBWSCCRJGLJG-XCBNKYQSSA-N 243.100 2.883 0 40 BFAB CC[C@@H]1CN(C(=O)NC)CC[C@H]1c1ccccc1 74798959 URJODAYDQPAKPV-TZMCWYRMSA-N 246.354 2.842 0 40 BFAB COc1ccc2[nH]c(C)c(C[C@@H]3CCCN3)c2c1 75079633 BERFJYMNJDIENC-NSHDSACASA-N 244.338 2.779 0 40 BFAB CCOCC(=O)N1CCc2ccccc2[C@@H]1CC 79310003 UNTVSCUGVFSBNY-AWEZNQCLSA-N 247.338 2.559 0 40 BFAB O=C(O)[C@H](CC(F)F)c1ccc(F)cc1 86365939 FFKYXZAYICMTQO-MRVPVSSYSA-N 218.174 2.649 0 40 BFAB CCSC[C@@H](C)N(C)Cc1cccn1C 93739599 DFAAHZBUGJBNBF-LLVKDONJSA-N 226.389 2.599 0 40 BFAB c1coc(CNc2ncnc3c2CCCC3)c1 94727736 ZLSMJGCYXGTTGQ-UHFFFAOYSA-N 229.283 2.561 0 40 BFAB CC(C)C(=O)c1ccc(C(F)(F)F)nc1N 95098420 DLVKBTKXWADZQV-UHFFFAOYSA-N 232.205 2.521 0 40 BFAB Nc1cc(Cl)nc(Cl)c1Br 98175243 HNJSCHRYDJPAPT-UHFFFAOYSA-N 241.903 2.733 0 40 BFAB N[C@H]1CC(CF)(CF)Oc2cc(Cl)ccc21 139492159 DLNXNPPSOLCMMN-VIFPVBQESA-N 247.672 2.800 0 40 BFAB CCC(=O)c1ccc(OC)c(F)c1F 148275658 VHJKSTKDSBXLCA-UHFFFAOYSA-N 200.184 2.566 0 40 BFAB CCCOc1ccccc1CCCNC(=O)CC 225372923 NMCBWINSZKYXTQ-UHFFFAOYSA-N 249.354 2.934 0 40 BFAB CSc1c(CC(=O)O)n(C)c2ccccc12 52645 WQWDWRNNBRSVMJ-UHFFFAOYSA-N 235.308 2.527 0 40 BFAB COc1cccc2sc(N3CCCC3)nc12 251254 FHCZPMNPKUUKFX-UHFFFAOYSA-N 234.324 2.905 0 40 BFAB Nc1cccnc1Sc1ccccc1 334959 BGHRGXJUSHPCRV-UHFFFAOYSA-N 202.282 2.815 0 40 BFAB in-vitro Cc1ccc(C)c(OC(=O)c2cccnc2)c1 361925 DMVKZPMCAWYDIW-UHFFFAOYSA-N 227.263 2.918 0 40 BFAB CCOC(=O)CC(=O)c1c(C)cc(C)cc1C 1757675 JKDAOORMLXVMGQ-UHFFFAOYSA-N 234.295 2.748 0 40 BFAB O=C(Cc1ccc(F)cc1)c1ccncc1 2599171 SWLMSOXBPVFLNF-UHFFFAOYSA-N 215.227 2.646 0 40 BFAB in-vitro CCOC(=O)CC(=O)c1cc2ccccc2o1 2599175 DBSJYHCDGBZOEP-UHFFFAOYSA-N 232.235 2.569 0 40 BFAB Cc1ccc(C2=NC3(CCCCC3)NC2=O)cc1 4891361 LJAJWZUYWYHXGF-UHFFFAOYSA-N 242.322 2.574 0 40 BFAB CCCCCC[C@@H](C)NCC(C)(C)O 5524126 QKIUHZKEPBOCQT-LLVKDONJSA-N 201.354 2.706 0 40 BFAB Cc1ccc(NC(=O)c2ccsc2)nc1 12526712 FRZBSGZDODISJD-UHFFFAOYSA-N 218.281 2.704 0 40 BFAB CC(=O)c1c(C)nc(N2CCC(C)CC2)nc1C 13640218 WRCLDGBFXHEVKD-UHFFFAOYSA-N 247.342 2.532 0 40 BFAB Cc1ccc(N)c(OC[C@@H]2CCCCO2)c1 14629712 QRYOGNRUZOGJEX-NSHDSACASA-N 221.300 2.525 0 40 BFAB C/C=C\C(=O)N(CC)c1cccc(C)c1 17353423 DAETVMPIUYVYJI-DAXSKMNVSA-N 203.285 2.924 0 40 BFAB C[C@@H]1CCCC[C@H]1NCc1cccnc1 19945064 CMYZEKMXZWUVJA-DGCLKSJQSA-N 204.317 2.750 0 40 BFAB O[C@H](Cc1ccc(Br)cc1)C1CC1 37465576 RTNMPZADQXXCDT-LLVKDONJSA-N 241.128 2.763 0 40 BFAB in-vitro FC(F)COc1cccc(CNC2CC2)c1 37755493 QDKILPPMQACFJG-UHFFFAOYSA-N 227.254 2.583 0 40 BFAB COc1ccc(-c2ccncc2)cc1C=O 39018990 OOTSXFWEFCBQQP-UHFFFAOYSA-N 213.236 2.570 0 40 BFAB in-vitro CCOC(=O)[C@@H]1CCCc2ccccc21 39220498 YNGYAVXHTVNYBC-GFCCVEGCSA-N 204.269 2.670 0 40 BFAB CC(=O)Cn1c(C)cc(=O)c2cc(C)cc(C)c21 40164137 UIEMYNFLRPXDTH-UHFFFAOYSA-N 243.306 2.516 0 40 BFAB C[C@@H](C1CC1)N(C)C(=O)c1cccs1 40490143 TYEGCYBQPUDAEE-QMMMGPOBSA-N 209.314 2.619 0 40 BFAB O=C(CSc1cccs1)N1CCCCC1 40510956 NLFQEZHXLQDNQJ-UHFFFAOYSA-N 241.381 2.853 0 40 BFAB COc1ccc(COCC[C@H]2CCCCN2)cc1 42774076 MNFRKZJKCIQXHF-CQSZACIVSA-N 249.354 2.744 0 40 BFAB O=C(O)CCCC(=O)c1c(F)cccc1Cl 43214177 XEKDWIWTRLFTDV-UHFFFAOYSA-N 244.649 2.917 0 40 BFAB Cc1cc(NC(=O)Cc2ccccc2Cl)[nH]n1 48602403 MPMQEVHUYYHCHD-UHFFFAOYSA-N 249.701 2.553 0 40 BFAB Cc1nc(-c2cccs2)sc1CN 52329947 OCAPZPLQJYTZFI-UHFFFAOYSA-N 210.327 2.639 0 40 BFAB CC(C)NCC1CCN(Cc2ccccc2)CC1 53659717 MJXCXHBDQHADNB-UHFFFAOYSA-N 246.398 2.897 0 40 BFAB Cc1noc(C)c1C(=O)N1CCC[C@H](C)CC1 68782247 MEGOKIMJGBCBPG-VIFPVBQESA-N 236.315 2.554 0 40 BFAB c1cnc(NC2CC2)c(C2=NCCCC2)c1 72213729 NTVZPHPUMOVOBP-UHFFFAOYSA-N 215.300 2.629 0 40 BFAB CN1CCCC[C@@H]1c1ccc(S)nc1 72217015 ZXENXLROHJDFGG-SNVBAGLBSA-N 208.330 2.527 0 40 BFAB CC[C@H](N)c1cnc(Br)cc1C 72222960 KBNGYOVZEOARQR-QMMMGPOBSA-N 229.121 2.562 0 40 BFAB CCOc1c(C)cc(-c2[nH]ncc2C=O)cc1C 82168455 DTOGNQINKTXHRG-UHFFFAOYSA-N 244.294 2.905 0 40 BFAB NCC1(Cc2ccc(C(F)(F)F)cc2)CC1 85033871 NXCAKFPBFGOYNQ-UHFFFAOYSA-N 229.245 2.987 0 40 BFAB NCc1ccc(-c2nc(-c3cccs3)no2)o1 94555326 BYZKDINYLNXMOV-UHFFFAOYSA-N 247.279 2.517 0 40 BFAB CCSc1cccc(N[C@H]2CCOC2)c1 95971955 SWGOIJQOXHAYIY-NSHDSACASA-N 223.341 2.999 0 40 BFAB COc1cccc(Cn2cc(Cl)cn2)c1 98012587 WLCKAIQDMTWXBQ-UHFFFAOYSA-N 222.675 2.593 0 40 BFAB C[C@H]1COC[C@@H](C)N1C(=O)CC1=CCCCC1 98012942 FAERIPLOYBJPBX-TXEJJXNPSA-N 237.343 2.513 0 40 BFAB Cc1cc(C2OCCO2)ccc1Br 107773326 WHJLISQDROHCSH-UHFFFAOYSA-N 243.100 2.803 0 40 BFAB CCOC(=O)c1nc(-c2ccc(C)cc2)ns1 140189918 NQZLUVCCUSIBDF-UHFFFAOYSA-N 248.307 2.690 0 40 BFAB CCSCCOc1c(F)cccc1OC 155100438 NPKTZOGVCNVSKX-UHFFFAOYSA-N 230.304 2.966 0 40 BFAB c1cn(C[C@@H]2CCCN2Cc2ccsc2)cn1 188418386 KRLZJSKLIKBEGL-ZDUSSCGKSA-N 247.367 2.609 0 40 BFAB CCCc1ccc(C(=O)[C@H]2C[C@H]2C(=O)O)cc1 217816910 UEOJTNJBQSCQEY-NWDGAFQWSA-N 232.279 2.543 0 40 BFAB CSc1ncc2cc(C)nc(Cl)c2n1 223684082 UQULVDYNOUXLQP-UHFFFAOYSA-N 225.704 2.709 0 40 BFAB COC(=O)c1ccn([C@H](C)c2ccccc2)c1 223722409 DAQBKWCRTIBIDS-LLVKDONJSA-N 229.279 2.884 0 40 BFAB Cc1ccc(-c2noc(C3CC3)n2)cc1N 225174224 RZUVZRWZRNYEPN-UHFFFAOYSA-N 215.256 2.505 0 40 BFAB CCn1c(C=O)ccc1Cc1ccco1 226031150 USLGLQJSUVGLRC-UHFFFAOYSA-N 203.241 2.504 0 40 BFAB CC(C)c1cc(CNCc2ccccc2)n(C)n1 256050173 DAMNQCYIZBUSNV-UHFFFAOYSA-N 243.354 2.833 0 40 BFAB Cc1c[nH]c([C@H]2CCCN(CC3CCC3)C2)n1 257340404 ZFXGYHPCUAPVDA-ZDUSSCGKSA-N 233.359 2.698 0 40 BFAB Cc1nc2cc(C(=O)NC(C)C)ccc2s1 408978448 MEASCAJCIOHFOG-UHFFFAOYSA-N 234.324 2.743 0 40 BFAB COC(=O)c1cccn1-c1ccc(Cl)cc1 110646 BAVIXOYIOHCUKL-UHFFFAOYSA-N 235.670 2.917 0 40 BFAB O=C(CCc1ccccc1)NCc1ccco1 802821 LDJRBCNFCKLPFK-UHFFFAOYSA-N 229.279 2.529 0 40 BFAB Cc1cc2scc[n+]2c2ccccc12 1648633 QKVSFDMHCKTBOU-UHFFFAOYSA-N 200.286 2.948 0 40 BFAB CCCC(C)(C)NS(=O)(=O)c1ccccc1 1654106 MHSFCILBVMXDRG-UHFFFAOYSA-N 241.356 2.544 0 40 BFAB Cc1cc(Cl)nc2nc(Cl)c(N)cc12 1857402 YSHQJRLPBAUONC-UHFFFAOYSA-N 228.082 2.827 0 40 BFAB CC(=O)c1c(C)[nH]c(-c2ccccc2)c1O 2013762 ZYNZWFKEUTXGJB-UHFFFAOYSA-N 215.252 2.898 0 40 BFAB O=C(O)[C@H](c1c[nH]c2ccccc12)C(F)(F)F 3199458 GFOVJSGKTMFCRY-VIFPVBQESA-N 243.184 2.898 0 40 BFAB O=C(O)CCS[C@H]1C=Nc2ccccc21 4892385 AAPMSBLKKFTBMF-JTQLQIEISA-N 221.281 2.652 0 40 BFAB COc1ccc2c(c1)C(=O)CCC2(C)C 5369321 XFUTWROAJKCYDD-UHFFFAOYSA-N 204.269 2.949 0 40 BFAB CC(C)[C@H]1CC[C@H](C)C[C@H]1O[C@H]1C=CC(=O)O1 5533759 URWJVUPZIGIVFZ-FMCLSXCISA-N 238.327 2.903 0 40 BFAB COc1cc2c(cc1OC(C)=O)C(=O)CCCC2 5699718 ZXMRIMACYKSAIJ-UHFFFAOYSA-N 248.278 2.530 0 40 BFAB Cc1ccc(/C=C/c2ccc(O)nn2)cc1 8773074 PIAGLTZTUCTOFR-VOTSOKGWSA-N 212.252 2.661 0 40 BFAB CCC(=O)Nc1nc(-c2cccs2)ns1 11914344 RFHIHSIPWNEWNB-UHFFFAOYSA-N 239.325 2.615 0 40 BFAB Cc1ccc(F)cc1NC(=S)NC(C)C 13840425 VDIGJOSETLVXJU-UHFFFAOYSA-N 226.320 2.829 0 40 BFAB Cc1cccc(O[C@H](C)C(=O)NCCC(C)C)c1 14396904 UEHYQQQKYOXJHB-CYBMUJFWSA-N 249.354 2.925 0 40 BFAB Cc1nccc(-c2cccc(-c3cc[nH]n3)c2)n1 20906474 RHLUXUCJHMOLOX-UHFFFAOYSA-N 236.278 2.842 0 40 BFAB NC(=S)Nc1nc2cc(Cl)ccc2s1 22124996 NKTXJIOPSRVDLK-UHFFFAOYSA-N 243.744 2.605 0 40 BFAB Cc1cc(C(=O)NCc2ccncc2)c(C)s1 24581980 UNDGPHVAAQJKNL-UHFFFAOYSA-N 246.335 2.690 0 40 BFAB Cc1ccc(CNCCCc2cn[nH]c2C)s1 30667132 RZHDZJVNSDKQLS-UHFFFAOYSA-N 249.383 2.810 0 40 BFAB Nc1nc(Br)cc2ccccc12 33704521 JFGHICQGSSFEHW-UHFFFAOYSA-N 223.073 2.580 0 40 BFAB in-vitro CC1(C)Oc2ccccc2OC1(F)F 34103982 JSJPBAMVQLMHHD-UHFFFAOYSA-N 200.184 2.829 0 40 BFAB CCNCc1ccc(OCC(F)(F)F)cc1 34657776 ITNSXZZXLZGMOI-UHFFFAOYSA-N 233.233 2.737 0 40 BFAB O=C1Nc2ccccc2[C@H]1Cc1ccco1 35537763 VJOUAALJLFAXRJ-LLVKDONJSA-N 213.236 2.558 0 40 BFAB CC1CCN(C(=O)c2cc(Cl)ccn2)CC1 36804052 VDBFOMOSBVHCCQ-UHFFFAOYSA-N 238.718 2.607 0 40 BFAB Cc1ccccc1NC(=O)[C@H](C)n1cccc1 39111089 GDYOLKITKZLCPK-LBPRGKRZSA-N 228.295 2.996 0 40 BFAB CCC(CC)CN(CC)C(=O)c1cc(C)no1 40523685 QJAXUEBFGJYBIX-UHFFFAOYSA-N 238.331 2.881 0 40 BFAB Brc1cccc(C[C@@H]2CCCN2)c1 41283173 VAHZVMZMXQBVGK-NSHDSACASA-N 240.144 2.744 0 40 BFAB COc1cccc(C(=O)c2cc(C)ccn2)c1 45028589 HGJOQJCPNNWZAI-UHFFFAOYSA-N 227.263 2.630 0 40 BFAB Cc1ncsc1C(=O)N(C)[C@H](C)CC(C)C 46787153 MXQSRONRJJQRTD-SECBINFHSA-N 240.372 2.958 0 40 BFAB Fc1ccc2c(c1)CC[C@H]2Nc1ncccn1 49322335 IDQRIUGRRWXESE-GFCCVEGCSA-N 229.258 2.715 0 40 BFAB O=C(NCC1CC1)[C@@H]1C[C@H]1c1cccc(Cl)c1 58341073 ISCDKVGXFKQCPH-QWHCGFSZSA-N 249.741 2.970 0 40 BFAB CCOC(Cn1nc(C)c(Cl)c1C)OCC 66324249 JFUPTSPWUBPIBH-UHFFFAOYSA-N 246.738 2.552 0 40 BFAB Cc1ccc(C)c(S[C@@H](C)C(=O)N(C)C)c1 69349328 RNTUEFKHNRHOLM-NSHDSACASA-N 237.368 2.872 0 40 BFAB CC(C)CNC(=O)CSc1ccc(F)cc1 70236121 VMTPHJKVVDEECZ-UHFFFAOYSA-N 241.331 2.690 0 40 BFAB CCCN1CCC[C@@H]1c1cccnc1OC 72211722 AGVAVZBTHHYFTQ-GFCCVEGCSA-N 220.316 2.637 0 40 BFAB COc1ccc2c(Cl)c(C(=O)O)[nH]c2c1 72220919 PSXXHORJEZTCON-UHFFFAOYSA-N 225.631 2.528 0 40 BFAB Cc1cccc(CC(=O)N2CCCCC2)c1 74921748 XMRCECRSVVQTAB-UHFFFAOYSA-N 217.312 2.550 0 40 BFAB O=C1Nc2ccc(O)cc2Oc2ccccc21 77293647 OJFWDCZWXVYQLD-UHFFFAOYSA-N 227.219 2.750 0 40 BFAB in-vitro Cc1oc2cc(C(=O)O)[nH]c2c1Br 85392512 IPTXWRVYJWZKAW-UHFFFAOYSA-N 244.044 2.530 0 40 BFAB O=C(C1CCCC1)N1CC[C@@H]2CCCC[C@H]21 89818673 XQYAVRQKNONDLS-WCQYABFASA-N 221.344 2.968 0 40 BFAB Cc1cc(C[C@H](C)N[C@H]2CCCC2(C)C)n[nH]1 90533967 BXYQTXYPFCLRCB-GWCFXTLKSA-N 235.375 2.817 0 40 BFAB CC(=O)N[C@@H](c1cc(F)ccc1F)C1CC1 95403707 WOYWMMNCJIRIIL-GFCCVEGCSA-N 225.238 2.552 0 40 BFAB Cc1cc(-c2nc(-c3ccsc3)no2)ncn1 95454534 GXVPCYHNCAYILQ-UHFFFAOYSA-N 244.279 2.564 0 40 BFAB O=C(c1cc(F)c(F)c(F)c1F)C1CC1 95731273 GXAXBQMBRRNXHL-UHFFFAOYSA-N 218.149 2.836 0 40 BFAB O=Cc1c(OCC2CC2)ccc2c1CCC2 96675768 JEOILLMDTUYJOM-UHFFFAOYSA-N 216.280 2.777 0 40 BFAB O=C(O)c1cc(-c2ccc(Cl)cc2F)on1 146127445 RWYNANLOBJRDDN-UHFFFAOYSA-N 241.605 2.832 0 40 BFAB O=C(O)CC[C@H]1CC[C@H](c2ccccc2)O1 200077317 OZFJUORCJOEQJR-VXGBXAGGSA-N 220.268 2.772 0 40 BFAB N[C@H]1CCCC[C@H]1Nc1ccc(F)c(F)c1 218867392 RFOVCRVTQMVCNT-NWDGAFQWSA-N 226.270 2.647 0 40 BFAB Cc1cccc(C[C@@H](OCC(C)C)C(=O)O)c1 220686890 UGWRJCBSIRDVQM-CYBMUJFWSA-N 236.311 2.663 0 40 BFAB CC[C@H](C(=O)O)N(CC)c1cc(C)ccc1C 224982975 MNRRFPNBYBSWDY-GFCCVEGCSA-N 235.327 2.993 0 40 BFAB Cc1ncnc(NCCc2ccc(F)cc2)c1F 226314175 ZZYVFHGHEYULHN-UHFFFAOYSA-N 249.264 2.718 0 40 BFAB Cc1c[n+](C)c(C)cc1Nc1ccccc1 50715 WWABHEDVYUDLTF-UHFFFAOYSA-O 213.304 2.872 0 40 BFAB O=C(Cc1ccccc1)c1ccc(O)c(F)c1 1712487 YFXFKZXQYKPVCU-UHFFFAOYSA-N 230.238 2.957 0 40 BFAB CN(C)[C@H]1CCC[C@H](OC(=O)c2ccccc2)C1 2022231 JBVFPGXAVRVORZ-KBPBESRZSA-N 247.338 2.716 0 40 BFAB COC(=O)c1ccc(C)c(NC(=O)C(C)(C)C)c1 3342621 GQRDPQRMSSRZJX-UHFFFAOYSA-N 249.310 2.766 0 40 BFAB C[C@@H]1CCCN(Cc2ccc(Cl)nc2)C1 5720802 FRHKQMBZERYYJW-SNVBAGLBSA-N 224.735 2.967 0 40 BFAB CC(C)CNC(=O)Cc1ccc(Cl)cc1 5727138 BAYULMXGLRDNCB-UHFFFAOYSA-N 225.719 2.655 0 40 BFAB COc1ccc([C@H](N)Cc2ccccc2)cc1 6484433 YIHSDPMXTWBNDR-OAHLLOKOSA-N 227.307 2.938 0 40 BFAB in-vitro Cc1ccc(N2CCC[C@@H](C)C2)c(N)c1 8702594 SCFSIFALKXHKGZ-LLVKDONJSA-N 204.317 2.814 0 40 BFAB Cc1nccn1-c1nc(Cl)nc2ccccc12 11756770 QTZLTQIKRQXNOD-UHFFFAOYSA-N 244.685 2.777 0 40 BFAB Clc1nc(N2CCOCC2)cc2ccccc12 12481131 CCEMKUCNUCJWEN-UHFFFAOYSA-N 248.713 2.725 0 40 BFAB in-vitro Oc1ccc(C(=S)NCc2ccccc2)cc1 15015039 ZCHKWWBVUFTOOS-UHFFFAOYSA-N 243.331 2.858 0 40 BFAB [O-][N+]1=N[C@@H]2CCCC[C@H]2N1OCc1ccccc1 16034531 NCRUWSXQSHNFIR-CHWSQXEVSA-N 247.298 2.623 0 40 BFAB COc1cccc(Sc2ccc(N)nc2)c1 19869354 RAAQKPHNTPUHRS-UHFFFAOYSA-N 232.308 2.824 0 40 BFAB CCC(=O)O[C@@H]1C[C@H]2C[C@@H]1[C@@H]1C=CC[C@H]12 31352049 ZPFJBPIFMMENKC-IYKVGLELSA-N 206.285 2.540 0 40 BFAB COc1cc(C)c(Br)cc1OC 34109303 KVLMMRAXLYFCNY-UHFFFAOYSA-N 231.089 2.775 0 40 BFAB in-vitro O=Cc1ccc(C(=O)c2ccccc2)cc1 34503078 MLZBRARCTFICSV-UHFFFAOYSA-N 210.232 2.730 0 40 BFAB in-vitro C=CC(=O)Nc1cccc(OC(F)(F)F)c1 36334147 YJOJMGVPELEGKI-UHFFFAOYSA-N 231.173 2.710 0 40 BFAB CC[C@@H](C)C(=O)c1ccc2c(c1)OCCO2 36940325 MWCQFKLJRPIKBV-SECBINFHSA-N 220.268 2.687 0 40 BFAB C=CC(=O)N1CCc2sccc2[C@@H]1CC 37831236 LBGDCXIUFNWKTA-JTQLQIEISA-N 221.325 2.770 0 40 BFAB Nc1cccc(-c2n[nH]c(-c3cccs3)n2)c1 54700198 XQVCNWWIDFLGJX-UHFFFAOYSA-N 242.307 2.782 0 40 BFAB CCC(=O)N[C@@H](c1ccc(OC)cc1)C(C)C 58247989 RDLDCXRUHLGFAD-CQSZACIVSA-N 235.327 2.919 0 40 BFAB CNCc1ccc(OCCC(F)(F)F)cc1 70911767 GYHXBSVOQNDXMC-UHFFFAOYSA-N 233.233 2.737 0 40 BFAB CCOC(=O)c1ccc(-c2ccc(N)cc2)o1 73640327 VIWBXRFTUQBPRL-UHFFFAOYSA-N 231.251 2.706 0 40 BFAB O=C(c1cscn1)N1CC[C@@H]2CCCC[C@H]21 78487931 XQTZCVLWVVKBRS-GXSJLCMTSA-N 236.340 2.548 0 40 BFAB Clc1cccc2c3c([nH]c12)CCOC3 83728881 SNTDJVXDAXQCTD-UHFFFAOYSA-N 207.660 2.894 0 40 BFAB C[C@@H](N)COCc1cc(Cl)cc(Cl)c1 89262665 LVYXTHCZQBMOBO-SSDOTTSWSA-N 234.126 2.857 0 40 BFAB Cc1[nH]ncc1C(=O)N1CCC2(CCCCC2)C1 89544401 ZAQCEHFRUGVMRP-UHFFFAOYSA-N 247.342 2.515 0 40 BFAB CCC(CC)CNC[C@](C)(O)c1ccco1 95434051 CPAZZUHNPBPAQY-ZDUSSCGKSA-N 225.332 2.513 0 40 BFAB Clc1ncc(Oc2ccccc2)cn1 95932035 YWNZLJLRFMEJGO-UHFFFAOYSA-N 206.632 2.922 0 40 BFAB CC(=O)c1cnccc1NC(=O)OC(C)(C)C 95973610 QGZCYXCXOHYOPU-UHFFFAOYSA-N 236.271 2.631 0 40 BFAB C[C@H]1C[C@@H]2CCN(Cc3ccc(F)cc3)C[C@H]2O1 96062532 QHVXBTOEZWYYLX-CORIIIEPSA-N 249.329 2.825 0 40 BFAB CCN[C@H]1CCN(C)Cc2ccc(Cl)cc21 96510457 JPAXYNDVBWVCOP-ZDUSSCGKSA-N 238.762 2.826 0 40 BFAB CN(C(=O)CC1=CCCCC1)c1ccccn1 98012569 PVCMMERPCYUCLG-UHFFFAOYSA-N 230.311 2.935 0 40 BFAB Fc1cccc([C@H]2CCCN2Cc2ncc[nH]2)c1 111204262 ZTSWYGRANZVTHL-CYBMUJFWSA-N 245.301 2.886 0 40 BFAB Cc1ccc([C@@H](O)c2cccc(N)c2)cc1 113689084 HBYHYFZBJKWXKT-CQSZACIVSA-N 213.280 2.659 0 40 BFAB N=C(N)C1(c2ccc(Cl)cc2Cl)CC1 145087516 BPNLVVQNEFMUNU-UHFFFAOYSA-N 229.110 2.961 0 40 BFAB CC(C)N(c1ccc(C(=O)O)cc1N)C(C)C 216852115 ICZFSXRGNLVVSE-UHFFFAOYSA-N 236.315 2.590 0 40 BFAB CCCNCCC[C@@H]1CCCN1CCC 218328062 UBCYHLFYMMRJIV-CYBMUJFWSA-N 212.381 2.641 0 40 BFAB N[C@@H]1CCC[C@@H]1Nc1cccc(C(F)(F)F)c1 218876770 WIUGTKUNWBPPNP-MNOVXSKESA-N 244.260 2.997 0 40 BFAB CC1=CC[C@@H]2[C@](C)(CO)CCC[C@@]2(C)[C@@H]1CO 225459406 WAROSQLUUOOPIA-KBXIAJHMSA-N 238.371 2.750 0 40 BFAB biogenic,in-vitro CC(C)n1ccnc1[C@@H]1CNCc2ccccc21 306125756 DBLIDZJXRLPCHV-CQSZACIVSA-N 241.338 2.699 0 40 BFAB CCc1ccc2c(=O)c(C)c(C)[nH]c2c1 685938154 DMZYMKAXMZEQGM-UHFFFAOYSA-N 201.269 2.707 0 40 BFAB Fc1cc(C2OCCO2)ccc1Br 687828194 PQMLGQOAQAXEBH-UHFFFAOYSA-N 247.063 2.634 0 40 BFAB COC(=O)C[C@H]1C[C@H](OCc2ccccc2)C1 953033999 FWGYEZYPTJNRRU-JOCQHMNTSA-N 234.295 2.545 0 40 BFAB FC(F)(F)C1(c2cncc(Cl)c2)N=N1 1083806978 ITJSTMWXIAQWKZ-UHFFFAOYSA-N 221.569 2.916 0 40 BFAB O=c1oc(C23CC4CC(CC(C4)C2)C3)ns1 138023 SPDHXRUPKIHVSW-UHFFFAOYSA-N 237.324 2.564 0 40 BFAB S=C(Nc1ccccn1)c1ccccc1 319618 DTWYQZKAVRVKDZ-UHFFFAOYSA-N 214.293 2.869 0 40 BFAB CCn1nccc1C(=O)Nc1ccc(C)c(C)c1 800742 KNMZAGSTAKJDDL-UHFFFAOYSA-N 243.310 2.772 0 40 BFAB CC(C)c1ccc(NC(=O)Cn2ccnc2)cc1 1459407 NTEKDQGPPPJOSM-UHFFFAOYSA-N 243.310 2.645 0 40 BFAB CO[C@H](CC(=O)O)C[C@@H](C)CC(C)(C)C 1693473 YDEMTSOBLWQIAR-ZJUUUORDSA-N 216.321 2.939 0 40 BFAB CCOCCOC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C 1719040 DQVVDRPUOJAUTM-NEPJUHHUSA-N 240.343 2.805 0 40 BFAB CC[C@@H](NC(=O)[C@H]1C[C@@H]1C)c1ccccc1 6726776 YMQQSDJUYGKVDD-WCFLWFBJSA-N 217.312 2.910 0 40 BFAB O=C(NC1CC1)c1ccc(-c2ccc(F)cc2)o1 7952873 HZHMBIOXKPCMPN-UHFFFAOYSA-N 245.253 2.978 0 40 BFAB CC(=O)c1nc2ccccc2n1C(F)F 7986268 WAXPXZUCEYGWHK-UHFFFAOYSA-N 210.183 2.634 0 40 BFAB in-vitro O=C(O)c1cccnc1Oc1ccccc1F 8729655 PBSAHJOJQPGZKU-UHFFFAOYSA-N 233.198 2.711 0 40 BFAB Nc1ccc(Sc2ccncc2)cc1 8764116 DYOBZIUDPDIPKN-UHFFFAOYSA-N 202.282 2.815 0 40 BFAB in-vitro COc1ccc(CC/C=C2/CCOC2=O)cc1 8764164 BVTVMUSJLHVBMI-QCDXTXTGSA-N 232.279 2.501 0 40 BFAB C[C@@H]1C[C@H]1C(=O)N[C@H](c1ccccc1)C1CC1 12915216 BVFWVDWDLGJAFT-LERXQTSPSA-N 229.323 2.910 0 40 BFAB CCNC(=O)c1cc2ccccc2cc1OC 15501432 KZHLRPLINKXTBB-UHFFFAOYSA-N 229.279 2.598 0 40 BFAB Cc1cc(C)cc(NC(=O)Nc2cnccn2)c1 15952150 XAOVVQJTDOWZKO-UHFFFAOYSA-N 242.282 2.737 0 40 BFAB CCCCc1c(OC)nc(-c2ccco2)oc1=O 16639539 PTQCRCFNLWJEEE-UHFFFAOYSA-N 249.266 2.646 0 40 BFAB Brc1cccc(C2=CCNCC2)c1 19811324 LQKLPHASNRSNQV-UHFFFAOYSA-N 238.128 2.826 0 40 BFAB CC(C)OC(=O)c1ccc(OC(C)C)c(N)c1 30769576 XFHOLUNCBFPMOS-UHFFFAOYSA-N 237.299 2.621 0 40 BFAB C[C@@H](N(C)C(=O)c1ccoc1)C(C)(C)C 32788209 HPSBRUGMTNLNNS-SECBINFHSA-N 209.289 2.786 0 40 BFAB CC(C)(O)C1=C(Br)CCCC1 34620105 AEDAMBVNSZJOEA-UHFFFAOYSA-N 219.122 2.980 0 40 BFAB CC1CCC(NC(=O)CC[C@H]2CCCO2)CC1 36397012 JZFRBHGURGZSCB-WXRRBKDZSA-N 239.359 2.641 0 40 BFAB N[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 37381474 HNSQANLLXAISTN-HZGVNTEJSA-N 202.084 2.808 0 40 BFAB O=C1c2ccccc2[C@H]2Nc3ccccc3N12 39281164 XDNIPQUZYJAAMI-ZDUSSCGKSA-N 222.247 2.771 0 40 BFAB C[C@@H](Sc1nccn1C)c1cccc(N)c1 40908581 WAGIIXPVQHVZRC-SECBINFHSA-N 233.340 2.856 0 40 BFAB c1ccc2c(NC[C@H]3CCCO3)ccnc2c1 41720419 KVHHCYCIBKJVSS-LLVKDONJSA-N 228.295 2.826 0 40 BFAB CC(C)Cn1ncc(C(=O)O)c1-c1ccccc1 42188426 IPVWBFZNUFPKEI-UHFFFAOYSA-N 244.294 2.904 0 40 BFAB in-vitro CCNC(=O)c1ccc(OCCC(C)C)cc1 45165406 URLVTJSMSMTOHP-UHFFFAOYSA-N 235.327 2.861 0 40 BFAB CC[C@@]1(c2ccc(Br)cc2)C[C@H]1N 52126175 YQOFNSJFQSYKQC-MNOVXSKESA-N 240.144 2.828 0 40 BFAB in-vitro NC[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 54561824 CHTTXSUANLALNH-WPRPVWTQSA-N 231.217 2.647 0 40 BFAB CCC(O)(CC)c1ccc(OC)c(OC)c1 55191913 ZVEVERATDYKWPV-UHFFFAOYSA-N 224.300 2.711 0 40 BFAB O=C(Nc1cccc(F)c1F)c1cscn1 62662939 DPISHEMBDPEWMC-UHFFFAOYSA-N 240.234 2.674 0 40 BFAB C[C@@H]([C@@H](C)NCC1CCCC1)n1cccn1 69967301 ITHGLNIQENGJDS-NEPJUHHUSA-N 221.348 2.612 0 40 BFAB COc1ccccc1C(=O)CCSC 69984333 HTOFLHPDOSSXEC-UHFFFAOYSA-N 210.298 2.631 0 40 BFAB Cc1cc(C)c(C(=O)N2C[C@@H]3CCCC[C@H]3C2)[nH]1 89568587 PQKABQKWTLQSLZ-STQMWFEESA-N 246.354 2.894 0 40 BFAB O=C1CCC[C@@]12CCN(Cc1ccccc1)C2 91304766 XRTIVWOCSUOHPQ-HNNXBMFYSA-N 229.323 2.632 0 40 BFAB in-vitro CC(C)(C)C(=O)Nc1nccc(Cl)c1C=O 91690751 NHWHRFKTYLZJMO-UHFFFAOYSA-N 240.690 2.532 0 40 BFAB CCc1ccc(CN2CC[C@H]3OCCC[C@@H]3C2)o1 93506044 NZIDGMQKDJBCQL-IUODEOHRSA-N 249.354 2.843 0 40 BFAB CSCCN(C)Cc1c[nH]nc1C(C)(C)C 93509586 QALBBVHJDOPPHA-UHFFFAOYSA-N 241.404 2.502 0 40 BFAB CCCCNc1ccc(C(=O)N(C)C)c(C)c1 95409632 ULLUCJCSWPRATA-UHFFFAOYSA-N 234.343 2.909 0 40 BFAB CCc1ccc([C@H](O)c2cccn2C)cc1 95727778 ZDYNVWYISPWWMU-AWEZNQCLSA-N 215.296 2.669 0 40 BFAB CCOc1cc(F)ccc1C(=O)C(F)(F)F 95730670 HSTKTJNAUCNPKK-UHFFFAOYSA-N 236.164 2.969 0 40 BFAB CCCCC(=O)Nc1cc(-c2cccnc2)no1 96184020 FIYGCDVSFVWLQD-UHFFFAOYSA-N 245.282 2.865 0 40 BFAB Nc1ccc(C2[C@H]3CC4C[C@H]2CC(O)(C4)C3)cc1 101124969 HFHVLCQKMVGCLW-VOBIKVOXSA-N 243.350 2.923 0 40 BFAB NN[C@H]1C[C@H](c2ccccc2)c2ccccc21 198837104 BKHURDUPJQKETH-CABCVRRESA-N 224.307 2.727 0 40 BFAB Cc1cc(F)ccc1N[C@@H]1CCCC[C@@H]1N 218865066 KHKNZEWZURDMPX-WCQYABFASA-N 222.307 2.816 0 40 BFAB Cc1ccc(C)c(C[C@H](OC(C)C)C(=O)O)c1 225029894 WPJRFFHIIBHXPR-ZDUSSCGKSA-N 236.311 2.724 0 40 BFAB O[C@H](c1cc(F)c(F)cc1F)C(F)(F)F 236575210 MWWYYWVGKAFBRZ-SSDOTTSWSA-N 230.107 2.700 0 40 BFAB Clc1cccc(-c2nc(C3CC3)no2)n1 264570427 CNDDCPTUKOTIGP-UHFFFAOYSA-N 221.647 2.662 0 40 BFAB N[C@H](CCC1CCCCCCC1)C(=O)O 308968791 OBNMLTRRQGUOEW-LLVKDONJSA-N 213.321 2.539 0 40 BFAB CCOC(=O)[C@@]1(C)C=CCc2cccc(OC)c21 328578904 ZGRWMRRWBMHJHE-HNNXBMFYSA-N 246.306 2.628 0 40 BFAB COc1ccc([C@](C)(O)c2ccccc2)cc1 159166 RYESRDXJZHXPKV-OAHLLOKOSA-N 228.291 2.951 0 40 BFAB C[C@H](CO)Oc1ccc(Cl)cc1Cl 166728 LAZNUAGYLOVVPE-ZCFIWIBFSA-N 221.083 2.753 0 40 BFAB in-vitro COc1cc2c(cc1OC)C(=O)C[C@H](C)S2 384056 DEWXZFBKYPVHDF-ZETCQYMHSA-N 238.308 2.771 0 40 BFAB NC(=S)Nc1ccc2c(c1)Cc1ccccc1-2 1389518 CVQDYBYEKHWWCH-UHFFFAOYSA-N 240.331 2.913 0 40 BFAB CN(C(=O)c1ccccc1)[C@H]1CCCC(=O)CC1 1578368 YSVIQIOQISDMHJ-ZDUSSCGKSA-N 245.322 2.660 0 40 BFAB O=C(NC1CCCCC1)c1ccc(F)cc1 3127881 STPFPZKUYANAOR-UHFFFAOYSA-N 221.275 2.888 0 40 BFAB O=C(O)Cc1ccc(Cc2ccccc2)cc1 3750843 JVEGNYOXHZUPPW-UHFFFAOYSA-N 226.275 2.905 0 40 BFAB C[C@@H](c1ccccc1)[C@@H]1OCC[C@@H](C)O1 4791955 PXHOWQRLOQCIKA-NTZNESFSSA-N 206.285 2.942 0 40 BFAB c1ccc2c(c1)nnn2C1CCCCC1 5520258 CQIAJKGKHAGBJE-UHFFFAOYSA-N 201.273 2.937 0 40 BFAB CN(C)C(=S)Nc1cccc(Cl)c1 5599620 FDNJCPRUAFJRTH-UHFFFAOYSA-N 214.721 2.598 0 40 BFAB Cc1ccc(F)cc1NC(=O)[C@H]1C[C@H]1C 5698982 FRGJTDTVLSBURU-SCZZXKLOSA-N 207.248 2.729 0 40 BFAB O=C(Nc1nc2ccccc2[nH]1)[C@@H]1CC=CCC1 6657556 UIKQDARYVMXTGF-SNVBAGLBSA-N 241.294 2.858 0 40 BFAB COc1ccc(N)cc1N1[C@@H](C)CC[C@@H]1C 8703842 JMLAXDLUMSEPQT-UWVGGRQHSA-N 220.316 2.655 0 40 BFAB CC(C)c1ccc(OCCC(=O)O)cc1 11884121 LGUAUHTVKKNVOM-UHFFFAOYSA-N 208.257 2.664 0 40 BFAB in-vitro Cc1ccc(N)cc1NC(=O)c1ccc(F)cc1 19736057 LMXURQNMOUKLHM-UHFFFAOYSA-N 244.269 2.969 0 40 BFAB Nc1ncnc2scc(-c3ccccc3)c12 20320970 QKUFEXGLTQADSA-UHFFFAOYSA-N 227.292 2.941 0 40 BFAB in-vitro COC(=O)C(F)(F)Sc1ccccc1 22114975 ZFDXMOTVBCYYRE-UHFFFAOYSA-N 218.224 2.545 0 40 BFAB CC[C@@H](C)NC(=O)c1cccc2cccnc12 32518230 MNHXVFUIWVPGDB-SNVBAGLBSA-N 228.295 2.763 0 40 BFAB COC(=O)[C@@H](C)c1ccc(Br)cc1 34606934 KZWKRXZFJWFHSR-ZETCQYMHSA-N 243.100 2.726 0 40 BFAB COc1cc(SCCF)c(OC)cc1C=O 37627893 KWZBUWWPAQDPBS-UHFFFAOYSA-N 244.287 2.578 0 40 BFAB Cc1n[nH]cc1CN[C@H](C)c1ccccc1F 37996422 JNGGMVVJEPKDPB-SNVBAGLBSA-N 233.290 2.708 0 40 BFAB O=C(CC(F)(F)F)Nc1ccccc1F 43069643 QHOZJDSYYHOJQQ-UHFFFAOYSA-N 221.153 2.717 0 40 BFAB COC(=O)C1[C@]23CC=CC[C@]12CCCC3 45028048 FNMFUSXRJMNISV-VGPLMAKISA-N 206.285 2.686 0 40 BFAB CCc1nc(-c2cccc(C(N)=O)c2)sc1C 48841971 KWWQPOCPGFHHTK-UHFFFAOYSA-N 246.335 2.780 0 40 BFAB COC[C@H](C)OC(=O)c1ccc(Cl)s1 71905100 UAZCYUNPEAAQAN-LURJTMIESA-N 234.704 2.593 0 40 BFAB C[C@@H](N)CCc1cccc(OC(F)F)c1 72206796 RMZAGXXXGBXALU-MRVPVSSYSA-N 215.243 2.568 0 40 BFAB O=C(O)c1c[nH]cc1-c1ccc2ccccc2n1 72207392 QFFMSBVOGIIZAQ-UHFFFAOYSA-N 238.246 2.928 0 40 BFAB CCCN1CCC[C@H]1c1ccc(N(C)C)nc1 72212598 JUYKMNDWCVRLCM-ZDUSSCGKSA-N 233.359 2.695 0 40 BFAB Cc1ccc(C(=O)[C@H](N)Cc2ccccc2)cc1 75951842 DWEDFFZYMKPHRS-OAHLLOKOSA-N 239.318 2.748 0 40 BFAB COc1cccc(CS[C@H](C)[C@@H](C)O)c1 79057017 GUSBSIVXZHSHHJ-NXEZZACHSA-N 226.341 2.698 0 40 BFAB CC(C)(C)OC(=O)Nc1cccc(CCO)c1 84284395 YZCTYGVBYBPUNZ-UHFFFAOYSA-N 237.299 2.568 0 40 BFAB O=C(O)c1cc2c(C3CC3)cccc2[nH]1 87014587 QBVKHMCINNWLEF-UHFFFAOYSA-N 201.225 2.744 0 40 BFAB CC(=O)N[C@H](c1ccc(F)cc1)C1CCC1 95351000 ZLIJQHKPEOVNPO-ZDUSSCGKSA-N 221.275 2.803 0 40 BFAB CCCCC(=O)N[C@@H]1CCC[C@H](SC)C1 96409459 XPFIERKTXCSNAQ-MNOVXSKESA-N 229.389 2.967 0 40 BFAB C[C@@](O)(CNC/C=C/c1ccco1)C1CCCC1 96485901 DBLSRLYBQVYYAJ-SGJXGLNRSA-N 249.354 2.824 0 40 BFAB CSc1cc(OC(F)F)c(C(=O)O)s1 96510929 HUAVZIVCPXKXMM-UHFFFAOYSA-N 240.252 2.770 0 40 BFAB CC1(C)[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]21 102360805 OXGNEPFFSVWPFX-RYUDHWBXSA-N 221.344 2.681 0 40 BFAB CCCn1cc(NCc2cccc(OC)c2)cn1 153232949 LJHWLEKHMBXKID-UHFFFAOYSA-N 245.326 2.914 0 40 BFAB Cc1cc(NCCN)c2cc(Cl)ccc2n1 202122435 BRZWAYSZTFOYHZ-UHFFFAOYSA-N 235.718 2.567 0 40 BFAB Cc1c(F)cccc1N1CCN[C@H]2CCCC[C@H]21 218835669 QEQVVJLEYCAMDZ-DZGCQCFKSA-N 248.345 2.855 0 40 BFAB CCC[C@@H](C)NC(=S)Nc1ncccc1C 225384249 VJVIVUHIDZRZGA-SNVBAGLBSA-N 237.372 2.865 0 40 BFAB Cc1noc(C)c1CN(C)CCCCCF 225465808 FGWMDKHYVPGLRX-UHFFFAOYSA-N 228.311 2.863 0 40 BFAB Fc1ccc(OC(F)(F)F)c2[nH]cnc12 258833852 MODVMKQZGNBAHE-UHFFFAOYSA-N 220.125 2.601 0 40 BFAB CC(C)(C)c1nnc(NC2CC(F)(F)C2)o1 882261031 CYKIRSDWNKJYPD-UHFFFAOYSA-N 231.246 2.577 0 40 BFAB Cc1ccc(C)c(OCC(=O)NCC(C)C)c1C 144480 ILZNIEWUMIWKSN-UHFFFAOYSA-N 249.354 2.763 0 40 BFAB O=C(CSc1ccccn1)Nc1ccccc1 509637 NYZYDLCGNPKNDO-UHFFFAOYSA-N 244.319 2.812 0 40 BFAB C[C@]1(O)COC1(c1ccccc1)c1ccccc1 1591394 KEDNOWWOUDLOOO-HNNXBMFYSA-N 240.302 2.711 0 40 BFAB Nc1c(OCc2ccccc2)cccc1C(=O)O 1610703 QMWLVRGXWXHEGU-UHFFFAOYSA-N 243.262 2.546 0 40 BFAB O=C(OC1CCCC1)C(Cl)(Cl)Cl 1682290 GKJGDNHHHBKKCH-UHFFFAOYSA-N 231.506 2.842 0 40 BFAB CN(C)C1=NC[C@@H](c2cc3ccccc3o2)C1 1846101 IYMLHOSZPZHXCR-NSHDSACASA-N 228.295 2.880 0 40 BFAB in-man CN(C)[C@@H]1CCC[C@H](OC(=O)c2ccccc2)C1 2022232 JBVFPGXAVRVORZ-KGLIPLIRSA-N 247.338 2.716 0 40 BFAB CCOC(=O)CCCC(=O)C1CCCCC1 2379024 ZKWVCHISJOCZTP-UHFFFAOYSA-N 226.316 2.869 0 40 BFAB CC1CCN(C(=O)C2CCCCC2)CC1 2736623 UDCRYQOXXLPOSW-UHFFFAOYSA-N 209.333 2.825 0 40 BFAB O=C1CCc2cc(-c3ccc(CO)cc3)ccc21 3851896 GDEUQKTXERQPTC-UHFFFAOYSA-N 238.286 2.975 0 40 BFAB biogenic Cc1nc(COc2ccccc2C(=O)O)cs1 4207359 OLLYNXHSYOZLGB-UHFFFAOYSA-N 249.291 2.729 0 40 BFAB O[C@]12CCCC[C@@H]1[C@H](Cc1ccccc1)NCC2 4698069 ZNBXUIHEGUGLBC-PMPSAXMXSA-N 245.366 2.512 0 40 BFAB biogenic,in-vitro Cc1ccc2[nH]c(C(=O)N3CCCC3)cc2c1 4702590 CZBYEFZSTJRISG-UHFFFAOYSA-N 228.295 2.712 0 40 BFAB CC1(C)N=C(S)C(c2ccc(F)cc2)=N1 4890619 FVTNIDAIZMEYCL-UHFFFAOYSA-N 222.288 2.693 0 40 BFAB CC(C)CNC(=O)Nc1c[nH]c2ccccc12 5299837 HTIJNWJTZDUEIA-UHFFFAOYSA-N 231.299 2.945 0 40 BFAB CCCCNC(=O)/C=C/c1ccc(F)cc1 6042638 DMYWDPKCHXZUHT-RMKNXTFCSA-N 221.275 2.755 0 40 BFAB CCC[C@@H](C)C(=O)Nc1ccc(N)cc1C 8703470 CIBNYZAYZIYWJA-SECBINFHSA-N 220.316 2.952 0 40 BFAB COc1ccc(OC)c2c(O)cccc12 14612318 HJQLKIQZCKLQAA-UHFFFAOYSA-N 204.225 2.563 0 40 BFAB CC(C)C[C@H](C)NN[C@@H](C)CC(C)C 19167515 QJWWTYXKKAKIRM-RYUDHWBXSA-N 200.370 2.950 0 40 BFAB CCn1c(CCCN)nc2cc(C)c(C)cc21 19750702 VIBWHCBRMAKBLH-UHFFFAOYSA-N 231.343 2.564 0 40 BFAB O=C(O)Cc1ccc(OC2CCCC2)cc1 19843620 JYNKBQIDIFHNCY-UHFFFAOYSA-N 220.268 2.635 0 40 BFAB C[C@H](N)c1ccc(OCC2CC2)c(F)c1 19873043 CCNWTEVVKOBOCR-QMMMGPOBSA-N 209.264 2.634 0 40 BFAB in-vitro Cc1cc(C)n(-c2ccc(C=O)cc2C)n1 20440276 HUEBGQCKTDYEOQ-UHFFFAOYSA-N 214.268 2.610 0 40 BFAB O=C(O)c1csc(Nc2ccccc2F)n1 33507828 NMJJOYBVZJHOQK-UHFFFAOYSA-N 238.243 2.724 0 40 BFAB C[C@H](CO)N[C@@H]1CCCC[C@@H]1C(C)(C)C 35603634 BQGYIJXCKRVMCN-GRYCIOLGSA-N 213.365 2.562 0 40 BFAB C[C@H](O)c1cccc(NC(=O)C(C)(C)C)c1 35646428 CJPFISJYOXOCSY-VIFPVBQESA-N 221.300 2.725 0 40 BFAB CC(C)(C)n1cc(CNc2cccnc2)cn1 37187237 ZKJMVHHEEITRLX-UHFFFAOYSA-N 230.315 2.645 0 40 BFAB CNCc1cc(Br)ccc1Cl 37287962 PADHGFNCHLNCMN-UHFFFAOYSA-N 234.524 2.822 0 40 BFAB in-vitro O=C1Cc2cc(Cl)cc(Br)c2N1 39956916 ULFMXQCBEHNLMZ-UHFFFAOYSA-N 246.491 2.597 0 40 BFAB Cc1ccc(CN(C)C(=O)C[C@H]2C=CCC2)o1 40465369 FMBNNFATTDZEBL-LBPRGKRZSA-N 233.311 2.903 0 40 BFAB CSc1cccc(NC(=O)NCC2CC2)c1 40525517 PPTQAPAXEWTFGP-UHFFFAOYSA-N 236.340 2.940 0 40 BFAB CCC[C@@H](O)Cc1cc(F)ccc1F 43459480 GMRQAAZAJRJOSN-SNVBAGLBSA-N 200.228 2.668 0 40 BFAB COc1ccccc1CN(C)C(=O)C1CCCC1 45477440 QWCFSSAYWPHUIW-UHFFFAOYSA-N 247.338 2.844 0 40 BFAB COC(=O)c1cccc2c(Cl)cc(C)nc12 45928741 XGKKOOISRLHZEN-UHFFFAOYSA-N 235.670 2.983 0 40 BFAB C[C@@H](NC(=O)Cc1cccs1)c1cccnc1 65585439 YIQLINHJYYQRSD-SNVBAGLBSA-N 246.335 2.563 0 40 BFAB O=c1ccc(F)cn1Cc1cccc(Cl)c1 71516312 NIQRJUKXTPCMKE-UHFFFAOYSA-N 237.661 2.689 0 40 BFAB CCOc1ccc(Cl)cc1/C=C/C(=O)OC 72209044 FCVACOWQDNTGHP-QPJJXVBHSA-N 240.686 2.925 0 40 BFAB CC(C)Oc1cc(O)c(C=O)cc1Cl 72219730 JZHIEJXVRXDPHK-UHFFFAOYSA-N 214.648 2.645 0 40 BFAB CCN1CCC[C@H]1c1c(OC)cccc1OC 72221412 UARXGYOEDCVSRL-NSHDSACASA-N 235.327 2.861 0 40 BFAB CC[C@H](C)Sc1nnc2cc(C)nc(C)n12 78838606 QWFARNSKWALCSS-QMMMGPOBSA-N 236.344 2.632 0 40 BFAB COC(=O)c1ccc(C(=O)c2cccc(C)c2)o1 85394291 UGOOUDVABMZTFZ-UHFFFAOYSA-N 244.246 2.606 0 40 BFAB CCCCc1ccc(C(=O)CC2OCCO2)cc1 85652212 XPZUJCHCWTWYMD-UHFFFAOYSA-N 248.322 2.975 0 40 BFAB CCN(CC)c1ccc(C2([C@@H](C)O)CC2)cc1 95739149 BMKUVFNDRGVNCU-GFCCVEGCSA-N 233.355 2.945 0 40 BFAB C[C@H](Cc1cccs1)C(=O)N1CCCC1 98013228 OWQPMPREXUEBST-SNVBAGLBSA-N 223.341 2.549 0 40 BFAB CC(C)(C)OC(=O)N[C@H]1CC12CCCC2 98213739 BTWUZYAVGRDITF-VIFPVBQESA-N 211.305 2.844 0 40 BFAB CC(C)Cc1cc(O)n(-c2ccccc2)n1 100003524 LJDUCEPUSRSKNZ-UHFFFAOYSA-N 216.284 2.776 0 40 BFAB CCC1=NN(c2ccccc2Cl)C(=O)C1 101633744 YGJKOVHIESQWTP-UHFFFAOYSA-N 222.675 2.843 0 40 BFAB CCN(CC)Cc1ccncc1Br 209774753 UNZSZZHUTXGVAS-UHFFFAOYSA-N 243.148 2.686 0 40 BFAB COC(=O)c1cc(-c2ccccc2Cl)on1 211842208 MYLJNYLTNFLEGE-UHFFFAOYSA-N 237.642 2.782 0 40 BFAB COc1cc(F)c(C(C)=O)cc1Cl 214406385 YMMURANTKNRGFG-UHFFFAOYSA-N 202.612 2.690 0 40 BFAB COC(=O)[C@H]1CC[C@H]1Sc1ccccc1 217792306 QWRZVWSQDKEBDJ-WDEREUQCSA-N 222.309 2.730 0 40 BFAB CC[C@H](C)N1CCN(C[C@H]2C[C@@H]3C=C[C@@H]2C3)CC1 222216667 GZCRAGOTMUZNSI-ZJIFWQFVSA-N 248.414 2.615 0 40 BFAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](C)N21 222639527 RYDGTFKDYRMSGL-CKYFFXLPSA-N 247.367 2.708 0 40 BFAB C[C@H]1CCCCN1c1nsc(Cl)n1 225782743 NNGSLVFMLNJPGL-LURJTMIESA-N 217.725 2.570 0 40 BFAB COc1cc(F)c(C(F)(F)F)cc1C=O 238344870 FPWXXOZIUABZEA-UHFFFAOYSA-N 222.137 2.666 0 40 BFAB C[C@@](O)(c1cccnc1Cl)C(F)(F)F 256053579 SAFPOWOZROHCCH-SSDOTTSWSA-N 225.597 2.505 0 40 BFAB c1ccc2c(O[C@@H]3CCSC3)ncnc2c1 585652767 VWIUJCQDMYZVRU-SECBINFHSA-N 232.308 2.514 0 40 BFAB Oc1cc(Br)c2ncccc2c1F 1857789624 NYEXBAIRBWAUTK-UHFFFAOYSA-N 242.047 2.842 0 40 BFAB CCC(=O)O[C@H](C)C(Cl)(Cl)Cl 164129 VXRBEUCXWCLGJH-SCSAIBSYSA-N 219.495 2.698 0 40 BFAB O=C(Nc1ccccc1)c1cnc2ccccc2n1 339551 FJPRNHHLSWRUQD-UHFFFAOYSA-N 249.273 2.882 0 40 BFAB Cc1cc2nc(C3CC3)cc(C(F)(F)F)n2n1 374700 VSLSAOMCNZSPJW-UHFFFAOYSA-N 241.216 2.934 0 40 BFAB CC(=O)OC[C@]12CC=C(C)[C@H]([C@H](C)OC1)[C@H]2C 519325 KSCMOJQRHWGLDT-XWUBHJNHSA-N 238.327 2.557 0 40 BFAB biogenic CCO[P@](=O)(CC)OC(=O)N(CC)CC 1697667 FKBXYSRAKVXMTJ-OAHLLOKOSA-N 237.236 2.714 0 40 BFAB O=C(O)CCCCC(=O)c1ccc(F)cc1 2242949 BCUYYQNETZAUOP-UHFFFAOYSA-N 224.231 2.653 0 40 BFAB in-vitro C[C@@H](Oc1cccc(Cl)c1)n1cncn1 2473922 NHOYPQIQGDWPCS-MRVPVSSYSA-N 223.663 2.529 0 40 BFAB C[C@H]1CN(C)[C@H](C)C[C@@H]1NCc1ccccc1 3684618 WSVFANOWQHGVOH-GUTXKFCHSA-N 232.371 2.505 0 40 BFAB Cc1nc2c(C)cccn2c1-c1csc(N)n1 4244113 GTHLSHLKHHVBRC-UHFFFAOYSA-N 244.323 2.657 0 40 BFAB O=c1ccnc(Nc2cccc3ccccc23)[nH]1 4368106 JRLQLKTVGXVLOW-UHFFFAOYSA-N 237.262 2.667 0 40 BFAB CC(=O)n1c2c(c3c1CCCC3)CCCC2 5379334 VXDAKOPXYDPMEB-UHFFFAOYSA-N 217.312 2.906 0 40 BFAB COc1cccc(Nc2nnc(S)s2)c1 5687672 ONDKHRAMZDCFFC-UHFFFAOYSA-N 239.325 2.579 0 40 BFAB C[C@H]1C[C@](CCN)(c2ccccc2)[C@@H](C)CN1C 5954989 XTILSTQWLFVMKB-DZKIICNBSA-N 246.398 2.633 0 40 BFAB Oc1ccc2oc(-c3cccnc3)nc2c1 6472752 DVZWNWACPNBIMI-UHFFFAOYSA-N 212.208 2.595 0 40 BFAB CC[C@H](C)C(=O)N[C@H]1CCc2ccccc21 12983966 VZVVFOHUCRWRDO-GWCFXTLKSA-N 217.312 2.836 0 40 BFAB Clc1ccc2[nH]c([C@H]3CCCN3)nc2c1 19087755 WTWLSXNDPSJKCT-SECBINFHSA-N 221.691 2.641 0 40 BFAB in-vitro CC[C@@H](NCCOC)c1ccc(C)cc1 19881623 JBNHQQWTPNFRIE-CYBMUJFWSA-N 207.317 2.682 0 40 BFAB CCC(=O)Nc1ccc(F)cc1Br 20430086 SKMIPAILPYHKLP-UHFFFAOYSA-N 246.079 2.937 0 40 BFAB CC(C)CC(=O)c1ccc2c(c1)OCCO2 32013603 OWWHHVBEBOWEFY-UHFFFAOYSA-N 220.268 2.687 0 40 BFAB O=C(O)/C=C/c1cc(Cl)c(O)c(Cl)c1 33847518 YCWRKUFHHMQSOU-OWOJBTEDSA-N 233.050 2.797 0 40 BFAB O=C1CCSc2cc(Cl)ccc2N1 34160140 WYWKPNIAGOEYTD-UHFFFAOYSA-N 213.689 2.774 0 40 BFAB in-vitro Nc1cccc(C(=O)O)c1-c1ccccc1 35572407 OCPBDIONVKTARR-UHFFFAOYSA-N 213.236 2.634 0 40 BFAB CC[C@H](C)NC(=O)Nc1ccccc1COC 40527957 QWCWATXDUKOYMI-JTQLQIEISA-N 236.315 2.753 0 40 BFAB Cc1cc(C(=O)O)nn1-c1ccccc1Cl 41272053 LMHZNNNAMBXUPA-UHFFFAOYSA-N 236.658 2.532 0 40 BFAB in-vitro Cc1ccc(C(=O)c2cc(F)cc(F)c2)cn1 45029096 ZMVQQMODGIKUBA-UHFFFAOYSA-N 233.217 2.899 0 40 BFAB COC(=O)c1cccc(C)c1C(F)(F)F 47202434 BGCOOPQKRQPGPK-UHFFFAOYSA-N 218.174 2.800 0 40 BFAB O=C(c1ccccc1)[C@H]1N[C@H]1c1ccccc1 57211578 SUHPZGRFOCEHTL-KBPBESRZSA-N 223.275 2.582 0 40 BFAB in-vitro CCN(CC)c1cccc(O[C@@H]2CCCNC2)c1 66341697 PKCGXJUGKJMNKR-OAHLLOKOSA-N 248.370 2.664 0 40 BFAB Clc1cccc(Nc2ncccn2)c1 69056622 YQCBYQLDAHUMCO-UHFFFAOYSA-N 205.648 2.874 0 40 BFAB Cc1ccc2c(/C=C/C(=O)O)ccnc2c1C 72206430 AUZOXOBTPVSXLK-GQCTYLIASA-N 227.263 2.949 0 40 BFAB CC(C)CN1CCC[C@H]1c1ccc(O)nc1 72212260 OMXZNEJKYYTTCN-LBPRGKRZSA-N 220.316 2.580 0 40 BFAB CC(=O)N1CCC[C@@H]1c1ccc(=S)[nH]c1C 72218374 IWAQFLWMFNEUKU-LLVKDONJSA-N 236.340 2.736 0 40 BFAB FC(F)c1cnccc1Br 77012076 WBGPWMOAKBGODC-UHFFFAOYSA-N 208.005 2.782 0 40 BFAB CN[C@@H]1CCCN(CC/C=C/c2ccccc2)C1 79438618 DGTDJSRJDUTUEK-ZWIJEDICSA-N 244.382 2.774 0 40 BFAB CCCOc1c(F)cc(F)cc1C=O 95727203 TZQPVXFIBXSFCB-UHFFFAOYSA-N 200.184 2.566 0 40 BFAB O=C(O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 95884098 UHHHXFUMRLHTJJ-UHFFFAOYSA-N 248.175 2.961 0 40 BFAB in-vitro Cc1ccc(CN2CC[C@H]3C[C@H](C)O[C@@H]3C2)o1 96062530 CJZJZMPSCXUDFD-SGMGOOAPSA-N 235.327 2.587 0 40 BFAB CCCNC(=O)c1cccc2c1CCCC2 96171084 GIADTOIWGAYGOO-UHFFFAOYSA-N 217.312 2.705 0 40 BFAB Cc1cc(NCC(C)C)ccc1C(=O)N(C)C 96453634 XUGUZNJLEIIPBM-UHFFFAOYSA-N 234.343 2.765 0 40 BFAB CC1=C[C@H](C)N2NC(c3cccs3)=CC2=N1 97436732 ULONTFHOUUZPRM-VIFPVBQESA-N 231.324 2.614 0 40 BFAB Cc1ccc([C@@H](C)NCc2noc(C(C)C)n2)o1 182573312 VKCRFHXZTNJVMQ-SNVBAGLBSA-N 249.314 2.945 0 40 BFAB CO[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)O 214298228 AJQDTACVMHCUEW-VIFPVBQESA-N 249.093 2.636 0 40 BFAB CCOc1ncc(NC(=O)C(C)(C)C)cc1C 225879860 DOZXKTVQMBYXAU-UHFFFAOYSA-N 236.315 2.773 0 40 BFAB CC(=O)OCC(=O)c1c(Cl)cccc1Cl 238140240 QPTKQRYGNCPRBG-UHFFFAOYSA-N 247.077 2.739 0 40 BFAB Fc1ccc(Br)c(C(F)F)n1 238600865 ADYYCPCGPMRWTK-UHFFFAOYSA-N 225.995 2.921 0 40 BFAB CCN1CCC(N(C)CCCCCF)CC1 252499298 RYLDSQPXFPEWDZ-UHFFFAOYSA-N 230.371 2.542 0 40 BFAB c1ccc([C@H]2CNc3cccnc3O2)cc1 2362803116 GQMBDQUSADWIFK-GFCCVEGCSA-N 212.252 2.627 0 40 BFAB c1ccc(-c2csc3[n+]2CCS3)cc1 124197 AEOXCHHYMIGXRI-UHFFFAOYSA-N 220.342 2.808 0 40 BFAB Cc1ccccc1C(=O)N1CCC[C@H](C)C1 304759 FSYHTKHZKFTJMX-NSHDSACASA-N 217.312 2.867 0 40 BFAB CCc1cc(Br)cc(C(=O)O)c1 345880 KXXPNWQMAUVIMA-UHFFFAOYSA-N 229.073 2.710 0 40 BFAB CC(=O)OCCCCn1ccc2ccccc21 2577981 BJRYZUSCBWIVMY-UHFFFAOYSA-N 231.295 2.985 0 40 BFAB N[C@@H]1CC(=O)c2c(Cl)sc(Cl)c21 3593483 BAGAALISAFYOGI-UWTATZPHSA-N 222.096 2.641 0 40 BFAB Cc1cnc(C(=O)Oc2ccc(Cl)cc2)cn1 7656740 DQXCGMXZOWHKSH-UHFFFAOYSA-N 248.669 2.658 0 40 BFAB CCC[C@@H](C)C(=O)Nc1cccc(N)c1 8703409 QSBVERKBBLOVPL-SECBINFHSA-N 206.289 2.644 0 40 BFAB CC[C@H](C)NC(=O)Nc1ccc(F)cc1 12921754 DAKFBOFAVJLZJO-QMMMGPOBSA-N 210.252 2.746 0 40 BFAB O=C1C=CC[C@@H](/C=C/c2ccccc2)O1 13130927 RLGHFVLWYYVMQZ-VMPCVLLUSA-N 200.237 2.572 0 40 BFAB biogenic,in-vitro Clc1cccc(OCC2CCNCC2)c1 14631438 JRKWHWMRJYOIEA-UHFFFAOYSA-N 225.719 2.718 0 40 BFAB N[C@H]1CCCCC[C@H]1Oc1ccc(F)cc1 19255274 DEFJWTKPOMRYEX-QWHCGFSZSA-N 223.291 2.865 0 40 BFAB COc1ccccc1O[C@@H](C)CNC(C)(C)C 19737842 HHDLYSFZKOAIEK-NSHDSACASA-N 237.343 2.851 0 40 BFAB C[C@@H]1CCCN(C(=O)c2ccnc(Cl)c2)C1 19813407 PUQGZFKUNICEDQ-SECBINFHSA-N 238.718 2.607 0 40 BFAB C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)O 21953088 KANKFINQYMYIRL-VIFPVBQESA-N 222.284 2.836 0 40 BFAB in-vitro O=C(Nc1nc(C2CC2)cs1)C1CCC1 25560312 XQPNHOVPKRRTLO-UHFFFAOYSA-N 222.313 2.759 0 40 BFAB CC1=Nn2c(nnc2-c2ccccc2)S[C@H]1C 32604234 KPPLGXWTVKJCRS-VIFPVBQESA-N 244.323 2.663 0 40 BFAB CC[C@@H](C)NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1 32611020 MTQYSXCEBQNFJO-CHWSQXEVSA-N 249.354 2.985 0 40 BFAB Cc1csc(COc2ccc(C=O)cc2)n1 33421477 OQDPIIYWYMEZQU-UHFFFAOYSA-N 233.292 2.843 0 40 BFAB COC(=O)CCOc1ccc(Cl)cc1Cl 34937359 MKNBYTBUULRHFA-UHFFFAOYSA-N 249.093 2.935 0 40 BFAB in-vitro Cc1c(C(=O)O)oc2cc3c(cc12)CCC3 34974978 GIVVPLHXRBEWET-UHFFFAOYSA-N 216.236 2.928 0 40 BFAB in-vitro O=C(Nc1ccccc1)c1cccc2c1OCO2 40554547 DILHJKQJIRRSPN-UHFFFAOYSA-N 241.246 2.668 0 40 BFAB COc1cc(C)ccc1OCC[C@@H]1CCCNC1 42773261 ONCQNWNVOVDEJR-ZDUSSCGKSA-N 249.354 2.772 0 40 BFAB Cc1ccc(O[C@H](C)C(=O)NCC(C)C)cc1 48090012 AMFFTQLCYOBAGV-GFCCVEGCSA-N 235.327 2.535 0 40 BFAB CCNC(=O)c1c(Cl)c2ccccc2n1C 48693671 NRSVCOHLBKLEDY-UHFFFAOYSA-N 236.702 2.581 0 40 BFAB CCCC(=O)Nc1ccc2sc(N)nc2c1 62716737 WLNHSLKBPQCRQO-UHFFFAOYSA-N 235.312 2.617 0 40 BFAB CCc1cccc2c(O[C@H](C)C(=O)O)ccnc12 64874827 RKZMZAOPJRUCTF-SECBINFHSA-N 245.278 2.649 0 40 BFAB O=C(O)c1ccc(-c2ccsc2)nc1 65347030 IURKJCFGWINKMI-UHFFFAOYSA-N 205.238 2.508 0 40 BFAB CCNc1nc(SC)nc2ccccc12 69453207 BJZCRGBLVITDRY-UHFFFAOYSA-N 219.313 2.784 0 40 BFAB O=Cc1cc(Cl)nc(C(F)(F)F)c1 71863940 DWAKSLJAOOGKSP-UHFFFAOYSA-N 209.554 2.566 0 40 BFAB in-vitro CC(C)[C@H](N)[C@@H](C)CC(=O)Nc1ccccc1 72208182 FOSHKHXRVSVYIX-FZMZJTMJSA-N 234.343 2.635 0 40 BFAB CN(Cc1ccno1)Cc1ccc(F)cc1F 73893991 LYWJPLQIUXIIBP-UHFFFAOYSA-N 238.237 2.585 0 40 BFAB COc1cc(OCc2ccccc2)ccc1O 82296662 MAPBKOIBAOKGRS-UHFFFAOYSA-N 230.263 2.980 0 40 BFAB C[C@@H](N)COCc1ccc(Cl)cc1Cl 82547310 BPGVZGDEHOGTEV-SSDOTTSWSA-N 234.126 2.857 0 40 BFAB COc1ccc(C(=O)Nc2c(C)noc2C)cc1 84025567 BBFSBYKAOUMHBT-UHFFFAOYSA-N 246.266 2.552 0 40 BFAB Nc1cc(-c2cc(Cl)ccc2O)ccn1 95629685 IZIKZIZIIZHKNC-UHFFFAOYSA-N 220.659 2.690 0 40 BFAB O=c1ccc2c(n1-c1ccccc1)CCCC2 96329001 GGMJBVQWXWVGMJ-UHFFFAOYSA-N 225.291 2.716 0 40 BFAB Fc1ccc(-c2cn3nncc3c(Cl)n2)cc1 96517116 YBXWNBZMJNQQKP-UHFFFAOYSA-N 248.648 2.584 0 40 BFAB CSC[C@H](C)NC(=O)N1CCC[C@H](C)[C@@H]1C 97010498 SFFGAUOYWMKFIS-DCAQKATOSA-N 244.404 2.568 0 40 BFAB CCCn1cc(CNCc2ccccc2)cn1 116912128 OZBQFCJRKASFRD-UHFFFAOYSA-N 229.327 2.583 0 40 BFAB Cc1ccccc1OCCCn1ccnc1C 192752863 MFMDGNRMVTZYOU-UHFFFAOYSA-N 230.311 2.969 0 40 BFAB Cc1ccc(N[C@@H]2CCCC[C@@H]2N)cc1C 218859947 WTWZUOPSTOLTDY-UONOGXRCSA-N 218.344 2.985 0 40 BFAB CC[C@@H](C)n1c(C)cc(CNCCOC)c1C 223676215 HBLPTSZDXYYGPK-LLVKDONJSA-N 238.375 2.812 0 40 BFAB CCCNC(=O)c1cc(N)ccc1N[C@@H](C)CC 225454078 SNNZWLNFXAOAMZ-JTQLQIEISA-N 249.358 2.619 0 40 BFAB CC(C)CNCc1ccc(Cc2ccco2)[nH]1 226021078 QVHAPIBUJHLGEM-UHFFFAOYSA-N 232.327 2.944 0 40 BFAB CN(C)[C@H]1C/C=C\C[C@@H](N(C)C)C/C=C\C1 245238944 CSMNZRTUTXHIAI-DLISLWQXSA-N 222.376 2.533 0 40 BFAB c1ccc2oc(O[C@H]3CCSC3)nc2c1 585654630 KBHFCSWOKNRCML-QMMMGPOBSA-N 221.281 2.712 0 40 BFAB CC(=O)c1c(C)[nH]c(C(=O)NC2CCCC2)c1C 224270 QJRIZYNMLQUVOB-UHFFFAOYSA-N 248.326 2.507 0 40 BFAB O[C@@]12CCCC[C@@H]1[C@H](c1ccccc1)NCC2 234956 NRCWMRBKHVZROJ-QLFBSQMISA-N 231.339 2.642 0 40 BFAB biogenic CC[C@@H](C)c1ccccc1OC[C@@H](C)O 1640784 OGBFCLDMRJRDJH-GHMZBOCLSA-N 208.301 2.960 0 40 BFAB COc1ccc2c3c(cnc2c1)C(=O)CCC3 1723551 DCWJJBIXJFLCLA-UHFFFAOYSA-N 227.263 2.762 0 40 BFAB Cc1ccc([C@]2(O)C[C@H](C)N(C)C[C@@H]2C)c(C)c1 4142763 BNPBCKRXUQEEPS-DZKIICNBSA-N 247.382 2.851 0 40 BFAB CC(C)c1ccc(Cn2nccc2N)cc1 4206404 YXUMURJAITZODM-UHFFFAOYSA-N 215.300 2.637 0 40 BFAB in-vitro O=C(CN1CCCCCC1)Nc1ccccc1 5258995 SUOFJRLUODSWTQ-UHFFFAOYSA-N 232.327 2.501 0 40 BFAB CC(C)CC(=O)Nc1nc2ccccc2[nH]1 5907168 OMYCKNATUYHQTB-UHFFFAOYSA-N 217.272 2.548 0 40 BFAB Cc1cc(=O)n(-c2cc(Cl)ccc2Cl)[nH]1 6474420 MSNMEZSDLXYGAB-UHFFFAOYSA-N 243.093 2.781 0 40 BFAB CSc1ccc(N2CCCCC2)n1C 6827487 NVSRYDRCJFRGHB-UHFFFAOYSA-N 210.346 2.737 0 40 BFAB CC(C)CC(=O)N[C@H]1CCOc2ccccc21 7214804 NXOHMGSLFISOFE-LBPRGKRZSA-N 233.311 2.673 0 40 BFAB COc1ccc(OC)c(C(=O)C(C)(C)C)c1 11631544 ZFPGUCPMPFOUNY-UHFFFAOYSA-N 222.284 2.933 0 40 BFAB COc1ccc(CC(=O)N2CCCCC2)cc1C 13972030 DIABKAJLOKKDAX-UHFFFAOYSA-N 247.338 2.559 0 40 BFAB C[C@H](CC(=O)O)c1nc2ccccc2s1 16778415 MTDQYRDUELTPBX-SSDOTTSWSA-N 221.281 2.875 0 40 BFAB Cc1ccc2c(c1)[C@@H]1CCCC(=O)[C@@H]1N2 18206984 KQAOLVJMYZHVBN-TVQRCGJNSA-N 201.269 2.626 0 40 BFAB biogenic Cc1ccc(Nc2cc(C(=O)O)ccn2)cc1 19845244 YIXNMWPGEVDWHH-UHFFFAOYSA-N 228.251 2.832 0 40 BFAB CSCC(=O)N1CCC[C@@H]2CCCC[C@@H]21 32819590 LNNPJHCRDUFQKP-QWRGUYRKSA-N 227.373 2.531 0 40 BFAB CN(CCC1CCNCC1)C1CCCCC1 34972506 QXTJESJLPNPKOS-UHFFFAOYSA-N 224.392 2.641 0 40 BFAB Nc1ccc(F)cc1CN1CCCCCC1 35308387 APZBLIZCQUVVIV-UHFFFAOYSA-N 222.307 2.784 0 40 BFAB C1CC[C@@H](CN2CC[C@@H]3CCCC[C@@H]3C2)NC1 36810187 SMFJJXNFNWYQPN-ZNMIVQPWSA-N 236.403 2.641 0 40 BFAB Cc1sc(C=O)c(C)c1Br 39321851 PVYXGQWBXKVQSS-UHFFFAOYSA-N 219.103 2.940 0 40 BFAB Cc1ccc(C(=O)N2CCCCCC2=O)cc1 49032536 LJYRKZNNJAVORV-UHFFFAOYSA-N 231.295 2.538 0 40 BFAB Cc1cccc(-c2nc(CC(=O)O)c(C)o2)c1 49632718 PCFWEJGHKTYOHF-UHFFFAOYSA-N 231.251 2.586 0 40 BFAB CCCN(C)C(=O)NCCc1ccccc1C 63777666 NQBICAGYCZLPOA-UHFFFAOYSA-N 234.343 2.589 0 40 BFAB Nc1nccc(Cl)c1C(=O)c1ccccc1 66054799 LTHRVXKIFSUUPQ-UHFFFAOYSA-N 232.670 2.548 0 40 BFAB c1cc([C@H]2CCN(C3CCCCC3)C2)n[nH]1 72187759 NIRVRHFIHWKFSO-NSHDSACASA-N 219.332 2.532 0 40 BFAB CC[C@H](OC)c1ccc(SCC(=O)O)cc1 72220263 YMSSUKWSOWPRKO-NSHDSACASA-N 240.324 2.961 0 40 BFAB CC[C@@H](O)c1ccc(N(CC)CC)nc1C 72224305 JMZMWQPPXKKMKR-GFCCVEGCSA-N 222.332 2.680 0 40 BFAB Cc1ccccc1-n1ccc(C(=O)O)c1C 75420473 QFWKFNOVYIQRNB-UHFFFAOYSA-N 215.252 2.792 0 40 BFAB CS[C@H]1CCC[C@H]1Nc1nc(C)ns1 78447901 GCYBXOKIKZGWIF-SFYZADRCSA-N 229.374 2.543 0 40 BFAB C[C@@H](Sc1ncn[nH]1)c1cccc(F)c1 79820172 OYVBZEALJRQFNQ-SSDOTTSWSA-N 223.276 2.797 0 40 BFAB COC(=O)c1cncc2cc(Cl)ccc12 82806810 SJKNJIUFAPVPAI-UHFFFAOYSA-N 221.643 2.675 0 40 BFAB CCC[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)OCC 84740607 YTWLYZARXLUWAX-JHJVBQTASA-N 241.375 2.887 0 40 BFAB Cc1ncccc1NC(=O)OCC(F)(F)F 85728357 ZHUPPYHZODZSJC-UHFFFAOYSA-N 234.177 2.501 0 40 BFAB Fc1cc(Cl)cnc1NCC(F)(F)F 86710164 XQHLISXSNMADLQ-UHFFFAOYSA-N 228.576 2.848 0 40 BFAB C[C@H](CNC[C@@H]1CCC[C@@H](C)C1)C[C@@H](C)O 92566243 UFEFJKVUUPTTKU-XJFOESAGSA-N 227.392 2.809 0 40 BFAB Clc1ccc(NCc2cccnc2)cn1 95440943 LFGOWMXRRGCRGC-UHFFFAOYSA-N 219.675 2.742 0 40 BFAB COc1c(C)cc(CO)cc1C(F)(F)F 96029429 IXDIHSCLYNBPML-UHFFFAOYSA-N 220.190 2.515 0 40 BFAB N[C@H]1CCCN(CCCC2CCCCC2)C1 96523556 XWXZLCLTCUMICJ-AWEZNQCLSA-N 224.392 2.770 0 40 BFAB CC(=O)OCCC1=CC[C@H]2C[C@H]1C2(C)C 100794908 AWNOGHRWORTNEI-NWDGAFQWSA-N 208.301 2.932 0 40 BFAB Cc1ccc(-n2[nH]c(-c3ccco3)cc2=N)cc1 103115152 ZUJVCSQGMKJHRJ-UHFFFAOYSA-N 239.278 2.853 0 40 BFAB N#C[C@]1(c2ccc3ccccc3c2)C[C@@H]1CO 146578064 YAOFZMVNNNMQQK-CABCVRRESA-N 223.275 2.613 0 40 BFAB c1ccc(CCN2C[C@H]3CCC[C@@H]3C2)cc1 148676523 AIBOGTVZFBNCIG-HUUCEWRRSA-N 215.340 2.961 0 40 BFAB CSc1ccc(C=O)cc1Br 149702694 ZFWZQTCSPIPGKP-UHFFFAOYSA-N 231.114 2.984 0 40 BFAB N[C@@H]1CCCC[C@@H]1Nc1cc(F)cc(F)c1 218866424 YUKCVQVPWIHNDE-NEPJUHHUSA-N 226.270 2.647 0 40 BFAB CN(C)CC(F)(F)Sc1ccccc1 256050621 FUYNUPQJMDVEPO-UHFFFAOYSA-N 217.284 2.933 0 40 BFAB Clc1ccc2c(c1)CCC[C@]21CCN1 306145368 CQBWVKFPGVBMPD-LBPRGKRZSA-N 207.704 2.865 0 40 BFAB Cc1c(O)nc2cc(Cl)ccc2c1O 685937162 KFYTYVWARHRINH-UHFFFAOYSA-N 209.632 2.608 0 40 BFAB COC(=O)[C@@H]1C[C@H](C(F)(F)F)CC(F)(F)C1 953033708 JLHMDPWEZZKXCT-RITPCOANSA-N 246.175 2.773 0 40 BFAB CN[C@@H]1c2ccccc2CN(C)c2ccccc21 1570006110 CVJCGGMRZVSVGO-MRXNPFEDSA-N 238.334 2.945 0 40 BFAB CCCN(CCC)C(=O)c1ccc2c(c1)OCO2 368951 AUNFLNYQIQZFNC-UHFFFAOYSA-N 249.310 2.678 0 40 BFAB C[C@@H]1CCCc2sc3ncn4cnnc4c3c21 545805 MGUFDDRFNBXHHY-SSDOTTSWSA-N 244.323 2.779 0 40 BFAB COC(=O)CCCCCCCC(OC)OC 1676962 HZWOYQBUELNXHM-UHFFFAOYSA-N 232.320 2.509 0 40 BFAB CCOP(=O)(OCC)[C@@H](N)[C@H](C)CC 1707656 WLXZADYPHWHTPD-RKDXNWHRSA-N 223.253 2.583 0 40 BFAB O=Cc1ccc(Oc2ccc(F)cc2)nc1 4106320 CXDXKVFZZZMJQB-UHFFFAOYSA-N 217.199 2.826 0 40 BFAB in-vitro C[C@@H](CCc1ccccc1)NC(=O)C(F)(F)F 6249537 MDBNHAHKSSMQME-VIFPVBQESA-N 245.244 2.686 0 40 BFAB CCCCOc1cc(OC)ccc1C(=O)O 11886471 SMCKTGDZPSRAJW-UHFFFAOYSA-N 224.256 2.572 0 40 BFAB in-vitro CC(C)Cc1csc2nc(S)nc(N)c12 12324347 CZFKDYRURWHJLD-UHFFFAOYSA-N 239.369 2.761 0 40 BFAB CN(C)c1ccc(C(=O)N(C)C2CCCC2)cc1 12537655 SNIJPYOMAYZSQP-UHFFFAOYSA-N 246.354 2.767 0 40 BFAB FC(F)(F)c1cc(C(F)(F)F)on1 16125565 IQBXWRQAJNQQMP-UHFFFAOYSA-N 205.057 2.712 0 40 BFAB C[C@@H]1CC(=O)c2c(O)ccc(Br)c21 19413972 PZKXRNOZMKHSEB-RXMQYKEDSA-N 241.084 2.845 0 40 BFAB C[C@H]1CCCC[C@@H]1NCc1cccnc1 19945061 CMYZEKMXZWUVJA-AAEUAGOBSA-N 204.317 2.750 0 40 BFAB Nc1cc(C23CC4CC(CC(C4)C2)C3)no1 20078700 FOQCHKBTOPYOPO-UHFFFAOYSA-N 218.300 2.725 0 40 BFAB CCN(CC)c1ccc(CCC(=O)O)cc1 20269634 CEAUXMKZTVRUIC-UHFFFAOYSA-N 221.300 2.550 0 40 BFAB Cc1ccc(-n2ncc3c2CCCC3=O)cc1 20632943 OAXCPTFGZCIKHK-UHFFFAOYSA-N 226.279 2.700 0 40 BFAB O=C1C[C@@H](c2ccccc2Cl)c2c[nH]nc2N1 20734323 WZLWEPLDFUVQRB-QMMMGPOBSA-N 247.685 2.537 0 40 BFAB Cc1cccc(NC(=O)N2CCS[C@H]2C)c1 28232224 ZOOCQGJFWPGEHX-JTQLQIEISA-N 236.340 2.922 0 40 BFAB Cc1ccc2nc(C)cc(C(=O)N(C)C)c2c1 32719951 GHWHTTYISMPFAS-UHFFFAOYSA-N 228.295 2.553 0 40 BFAB CCOC(=O)c1ccccc1-c1cccnc1 38364301 ZWYKSNWZBPGCDQ-UHFFFAOYSA-N 227.263 2.925 0 40 BFAB COc1ccc([C@@H](O)C(F)(F)F)cc1C 40262260 LSDQDGHNPOOTPF-SECBINFHSA-N 220.190 2.599 0 40 BFAB FC(F)(F)c1ccc2c(c1)OCCN2 40448217 YEPAXHCFTVUJLJ-UHFFFAOYSA-N 203.163 2.510 0 40 BFAB COc1ccc(CNCC(C)(C)C)cc1 40492279 NRGLVLGGTHTQTA-UHFFFAOYSA-N 207.317 2.831 0 40 BFAB O=C(O)c1ccc(-c2ccc(F)cc2)[nH]1 41213291 JVCQVJRWQGLYJY-UHFFFAOYSA-N 205.188 2.519 0 40 BFAB CC(C)(C)c1cnc(CN2CCSCC2)o1 41366796 ORCUGSXPWKAQOT-UHFFFAOYSA-N 240.372 2.521 0 40 BFAB CC(C)c1noc(CN(C)C2CCCC2)n1 42541120 PFRJEDVNWJSLIL-UHFFFAOYSA-N 223.320 2.567 0 40 BFAB O=Cc1ccc(-c2ccccc2)c(C(=O)O)c1 44563547 KYBAIAMHVJZZPQ-UHFFFAOYSA-N 226.231 2.864 0 40 BFAB Nc1cc(-c2ccc(Cl)s2)on1 49812206 AKHRFZWPCZSEBV-UHFFFAOYSA-N 200.650 2.639 0 40 BFAB in-vitro CC[C@H]1CCCCN1Cc1nc(C(C)C)no1 58283215 DJTRACPYZPTPKN-NSHDSACASA-N 237.347 2.958 0 40 BFAB O=c1ccccn1Cc1ccc(F)cc1Cl 61111269 XBASSHOPLFBSFU-UHFFFAOYSA-N 237.661 2.689 0 40 BFAB Cc1ncc(CN(C)CCc2ccncc2)s1 69323244 AUVMJEDVNFGDAQ-UHFFFAOYSA-N 247.367 2.521 0 40 BFAB CSc1ccc(C2=NCCCC2)cn1 72216892 VBEQUOJDWMCCAS-UHFFFAOYSA-N 206.314 2.777 0 40 BFAB Cc1nc(Oc2ccccc2)ccc1CN 72224193 BDRKDGZHOJGVMV-UHFFFAOYSA-N 214.268 2.641 0 40 BFAB C[C@H]1CCCN(C(=O)Cc2ccccc2F)C1 74927649 JJHHOANGQSWLLE-NSHDSACASA-N 235.302 2.627 0 40 BFAB C[C@H](OC[C@@H]1CO1)c1ccccc1Cl 95096295 VXMLTYLWVSYVCV-DTWKUNHWSA-N 212.676 2.816 0 40 BFAB Cc1ccc([C@H]2CC(=O)c3cnoc3C2)s1 95117802 UHRQLWAGKOUROW-QMMMGPOBSA-N 233.292 2.957 0 40 BFAB Cc1csc(NC(=O)Nc2ccc(O)cc2)n1 97104535 WPEFFJKCZSGJLY-UHFFFAOYSA-N 249.295 2.801 0 40 BFAB COc1ccc([C@@H](O)O[C@@H]2C[C@H]3C=C[C@H]2C3)cc1 104189072 REYIVYQWCBKMPL-FATJJJSSSA-N 246.306 2.667 0 40 BFAB CNc1ccc(OC)c(C(F)(F)F)c1 167782805 LOCPCAGLALJYCQ-UHFFFAOYSA-N 205.179 2.756 0 40 BFAB CCCO[C@@H](Cc1cc(C)ccc1C)C(=O)O 225029748 NAVZJXWOZWLJAC-ZDUSSCGKSA-N 236.311 2.726 0 40 BFAB Cc1nc(C(=O)N(C)c2ccc(C)c(C)c2)co1 225890760 CWKKTDAPGCGHHQ-UHFFFAOYSA-N 244.294 2.876 0 40 BFAB NCC1(c2ccc(F)c(Cl)c2)CCC1 258053422 MMKFYFXDZOJHEE-UHFFFAOYSA-N 213.683 2.860 0 40 BFAB CCc1ccc(N(CC)[C@H](C)C(=O)O)cc1 260680927 YEGBTEYWVROWCW-SNVBAGLBSA-N 221.300 2.548 0 40 BFAB CCCn1ccc(COCCC(F)(F)F)n1 408715836 FMISQZJNDPHFJF-UHFFFAOYSA-N 236.237 2.762 0 40 BFAB CCOc1nc2cc(Cl)ccc2cc1N 685937707 XFDMMTMLGPVRLK-UHFFFAOYSA-N 222.675 2.869 0 40 BFAB CCCc1c(NC(C)=O)ccc(C(C)=O)c1O 157845 LTLVDDLKVWMGQV-UHFFFAOYSA-N 235.283 2.506 0 40 BFAB COC(=O)c1c(C)[nH]c(C=O)c1-c1ccccc1 492632 XQJKSWQBYJGCDN-UHFFFAOYSA-N 243.262 2.589 0 40 BFAB CCOC(=O)N(C)[C@H](C)Cc1ccccc1 1561025 LWZCZYZOOQILJZ-LLVKDONJSA-N 221.300 2.706 0 40 BFAB CC(C)[C@@H](C)OC(=O)Nc1cccc(O)c1 2033686 CFOBIHALQYNBEV-SECBINFHSA-N 223.272 2.985 0 40 BFAB CCOCc1c(C)cc(C)c(C=O)c1C 2267654 HICNVLAPYMGDKM-UHFFFAOYSA-N 206.285 2.961 0 40 BFAB CC(C)(C)CC(=O)Nc1ccccc1N 8703398 JRMXPTQZJLXFFF-UHFFFAOYSA-N 206.289 2.644 0 40 BFAB C[C@H](Nc1ccc(Cl)c(Cl)c1)C(=O)O 8730587 SUWRMAZHFSUJCB-YFKPBYRVSA-N 234.082 2.878 0 40 BFAB CN(Cc1ccco1)C(=O)c1cccc(F)c1 12978547 ZILATQUHVNZESZ-UHFFFAOYSA-N 233.242 2.691 0 40 BFAB CCCCN(C)[C@H](C)[C@@H](O)c1ccccc1 13424787 FJIKJFWKVKMDTN-TZMCWYRMSA-N 221.344 2.840 0 40 BFAB biogenic O=C(Nc1ccc(S)cc1)c1ccco1 16430198 LJOMFGGTCJLBLT-UHFFFAOYSA-N 219.265 2.821 0 40 BFAB COc1ccc(/C=C/c2n[nH]c(=S)[nH]2)cc1 16957322 SWKAJZUQUXPLLN-QPJJXVBHSA-N 233.296 2.646 0 40 BFAB OC1=Nc2n[nH]cc2[C@@H](c2ccccc2F)C1 20721958 ZAMMBGLWLJIGGK-MRVPVSSYSA-N 231.230 2.672 0 40 BFAB CONC(=O)c1ccccc1Nc1ccccc1 24831305 WLLOJDKYGLKBRN-UHFFFAOYSA-N 242.278 2.721 0 40 BFAB Cc1cc(O)c(I)cc1C 34111576 QMBMPXRWVSHTCN-UHFFFAOYSA-N 248.063 2.614 0 40 BFAB CCOC(=O)c1nc(-c2ccc(C)cc2)[nH]c1C 35320777 JPZMORQMLXMOSQ-UHFFFAOYSA-N 244.294 2.870 0 40 BFAB O=C(Nc1ccccc1)Nc1ccnc(F)c1 39333546 DTCUIBUGGHYKJU-UHFFFAOYSA-N 231.230 2.865 0 40 BFAB CC(C)C[C@H](CO)NC1CCC(C)CC1 40773249 YEEAQNAMMIZANY-WXRRBKDZSA-N 213.365 2.562 0 40 BFAB CNC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 41292080 ZJQXFPZTHVXWAF-MRVPVSSYSA-N 245.244 2.945 0 40 BFAB CSc1ccc([C@@H]2NCCS2)cc1 50522841 BMGXOHKYNWJQRQ-SNVBAGLBSA-N 211.355 2.744 0 40 BFAB CCC(=O)Nc1nc2cc(F)c(F)cc2s1 58370795 UMWSIDSMXOGVEW-UHFFFAOYSA-N 242.250 2.923 0 40 BFAB CC(=O)c1ccc(Oc2ccc(C(=O)O)o2)cc1 62702476 OVWRMHJKGPHSPN-UHFFFAOYSA-N 246.218 2.973 0 40 BFAB CC(C)c1ccn(-c2ccccc2O)n1 70675406 OPEZLWMYSCIILN-UHFFFAOYSA-N 202.257 2.701 0 40 BFAB Cc1cc(CO)cnc1SC(C)(C)C 72222811 BKJTUQDZYHNXIC-UHFFFAOYSA-N 211.330 2.773 0 40 BFAB OCC[C@H]1CCN(c2ccnc3ccsc23)C1 78365155 XLEHDLZBFCTHTR-SNVBAGLBSA-N 248.351 2.505 0 40 BFAB CC(C)Cc1csc(-c2cnn(C)c2)n1 79048440 GSRUDPZKMWBGPV-UHFFFAOYSA-N 221.329 2.742 0 40 BFAB O=C(O)[C@H]1CCCCCN1Cc1ccccc1 80991738 GRUPWODJNNRENK-CYBMUJFWSA-N 233.311 2.516 0 40 BFAB Cc1nn(Cc2ccccc2)c2c1C(=O)CCC2 82823623 UTFWDZWEUNNDDB-UHFFFAOYSA-N 240.306 2.759 0 40 BFAB O=C(O)c1ccc(Cc2cccs2)o1 83986979 DBEFOXAKCKJHDW-UHFFFAOYSA-N 208.238 2.630 0 40 BFAB CCCCN1CCC[C@@H]1c1noc(C2CC2)n1 84744460 CEDGEAUEOQXFBU-LLVKDONJSA-N 235.331 2.884 0 40 BFAB CC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C 84774045 LXLKYWJOLBMBNF-UHFFFAOYSA-N 237.347 2.894 0 40 BFAB CN[C@@H]1c2cccc(Br)c2C[C@H]1C 86719413 CKGXHRVZKLFNSZ-HQJQHLMTSA-N 240.144 2.902 0 40 BFAB Cc1cc(C(=O)O)cc(-c2ccccc2N)c1 90376617 QYZKZIUHECASJD-UHFFFAOYSA-N 227.263 2.942 0 40 BFAB in-vitro N[C@H](c1ccccc1)[C@@H](CO)Cc1ccccc1 90866214 ICQKDZDZTLESGV-HZPDHXFCSA-N 241.334 2.538 0 40 BFAB COC[C@@]12CCC[C@@H]1CN(Cc1ccco1)C2 96109133 SNBQHOKSAUFCJU-OCCSQVGLSA-N 235.327 2.528 0 40 BFAB Cc1cccc(C)c1C(=O)N1CCCSCC1 98020399 IXCGQWGXHMLMTO-UHFFFAOYSA-N 249.379 2.883 0 40 BFAB O=C1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 98095832 HUVMTUHDOBCRJI-HUUCEWRRSA-N 243.350 2.878 0 40 BFAB in-vitro CC[C@H](O)CN(CC)[C@H](C)c1cccc(O)c1 110666443 WHLXZVWAUHGXSD-YPMHNXCESA-N 237.343 2.546 0 40 BFAB Cc1ccc([S@@](=N)(=O)C(F)(F)F)cc1 145037896 CTZKLZFELWMINB-CQSZACIVSA-N 223.219 2.920 0 40 BFAB CC1=CCC[C@@H](C)[C@@H]1CNC[C@@H](C)CCO 152610185 GAKCVXHXPKZVEE-IACUBPJLSA-N 225.376 2.587 0 40 BFAB CCOc1cccc([C@@H](C)NC[C@@H]2CCCO2)c1 153097097 AUPIDJVKGWCGIF-DOMZBBRYSA-N 249.354 2.915 0 40 BFAB CC[C@H]1CN(CC(=O)O)CC[C@@H]1c1ccccc1 225453938 HQJYPIKIQDVROW-JSGCOSHPSA-N 247.338 2.587 0 40 BFAB C[C@@H](c1ccccc1)c1nc([C@H]2CCOC2)no1 252492332 MJDFWWJHCZLUGT-JQWIXIFHSA-N 244.294 2.725 0 40 BFAB CC[C@@H](C)OCc1nn(CCF)cc1Cl 408715597 WKOJWTQKCULOBG-MRVPVSSYSA-N 234.702 2.821 0 40 BFAB CCCc1nc(CC)c([C@@](C)(O)CC)[nH]1 2002106693 AQDPLNCBCCMSCC-LBPRGKRZSA-N 210.321 2.542 0 40 BFAB c1ccc(-c2cnnc(N3CCCCC3)n2)cc1 506884 JTVWLUARBXFHSK-UHFFFAOYSA-N 240.310 2.529 0 40 BFAB COC(=O)CCCc1nc2ccccc2s1 529131 PETPIBQKDRRSJT-UHFFFAOYSA-N 235.308 2.792 0 40 BFAB COc1ccccc1[C@@H](C(=O)O)c1ccccc1 1663832 CEIAQTSBIRBMGU-AWEZNQCLSA-N 242.274 2.912 0 40 BFAB O[C@@H]1C[C@]2(Cl)C[C@@]1(Cl)C(Cl)=C2Cl 1768991 VZOAOSMRYBAPJZ-ORVGVNGYSA-N 247.936 2.799 0 40 BFAB Nc1ccc(C(=O)Nc2ccc(F)cc2F)cc1 2550023 KNYOGUIQVMNDNH-UHFFFAOYSA-N 248.232 2.799 0 40 BFAB c1ccc2oc([C@H]3CCCCN3)nc2c1 4205337 CWSFHGFMFIJLDQ-SNVBAGLBSA-N 202.257 2.642 0 40 BFAB CCCCCC(=O)Nc1ccc2c(c1)OCCO2 4709461 SSACFEIRIAIGSS-UHFFFAOYSA-N 249.310 2.977 0 40 BFAB COc1ccc(C)cc1C(=O)NC1CCCC1 8076296 AIWKTNBHGDGIFJ-UHFFFAOYSA-N 233.311 2.676 0 40 BFAB CCC[C@@H](Nc1ccc(C)cc1C)C(=O)O 8702813 ZBTQJGVTJXHHCP-GFCCVEGCSA-N 221.300 2.969 0 40 BFAB CCOP(=O)(Nc1ccc(C)cn1)OCC 13152282 LMCGOFOKSBILFF-UHFFFAOYSA-N 244.231 2.983 0 40 BFAB COc1ccccc1OCC[C@@H]1CCCCN1 20221501 NWLPEUOOWNQKIA-LBPRGKRZSA-N 235.327 2.606 0 40 BFAB COc1ccc(-c2nc(C(=O)O)c(C)s2)cc1 34613476 HTSKIDWZGUZNHM-UHFFFAOYSA-N 249.291 2.825 0 40 BFAB Cc1ccccc1-n1nc(C)c(C=O)c1Cl 36905284 CXMAZYRQXRMMIR-UHFFFAOYSA-N 234.686 2.955 0 40 BFAB CCCN(CC)Cc1ccc(C(=O)O)cc1 37095281 DKMTXYJVRYCONB-UHFFFAOYSA-N 221.300 2.617 0 40 BFAB in-vitro CCCN[C@@H](C)c1ccc(OC)cc1F 37118382 YPANNIOROAUMMB-VIFPVBQESA-N 211.280 2.895 0 40 BFAB CCN(CC)[C@@H](CN)c1ccc(C)c(C)c1 37179874 BYVOKHPWVFBFJD-AWEZNQCLSA-N 220.360 2.645 0 40 BFAB CC(C)Cn1nccc1NC(=O)c1cccs1 40047289 HAKHXSOOXKPCAF-UHFFFAOYSA-N 249.339 2.853 0 40 BFAB COCc1ccc2ccccc2c1C=O 40448984 OGVBVWZKEFNOEJ-UHFFFAOYSA-N 200.237 2.799 0 40 BFAB COc1cccc(-c2ccc(=S)[nH]n2)c1 41231202 BRKHZIOGLJREBR-UHFFFAOYSA-N 218.281 2.815 0 40 BFAB Cc1ccnc(C(=O)c2c(F)cccc2F)c1 45028630 LAACYYMKRAZLDS-UHFFFAOYSA-N 233.217 2.899 0 40 BFAB COCCCN(C)Cc1sccc1C 51233386 RVBMASCXPDJJIL-UHFFFAOYSA-N 213.346 2.525 0 40 BFAB Cc1noc([C@@H](C)N(C)CCc2ccccc2)n1 51999965 ANLYMCYTBJJXNG-LLVKDONJSA-N 245.326 2.614 0 40 BFAB Cn1cc([C@@H]2CCCN2Cc2ccccc2)cn1 71799195 BYJRDTHCPBQFKG-HNNXBMFYSA-N 241.338 2.757 0 40 BFAB CCc1ccccc1[C@H](N)C(F)(F)F 72191413 BHNITXWLSREPOR-VIFPVBQESA-N 203.207 2.811 0 40 BFAB O=C(c1ccccc1)c1cc2cccnc2[nH]1 72194172 DWCJZCLNLRIZGI-UHFFFAOYSA-N 222.247 2.794 0 40 BFAB in-vitro CSc1ccc(N2CC[C@H]3CCCC[C@@H]32)nn1 80972970 IJFVEPXYQQMYHC-MNOVXSKESA-N 249.383 2.967 0 40 BFAB O=C(c1cccc2cc[nH]c12)N1CCCCC1 82301258 NGEFVWHYXNYTFS-UHFFFAOYSA-N 228.295 2.794 0 40 BFAB Nc1c[nH]c2cc(Br)ccc12 82373797 CYFHJLUKQDSEDK-UHFFFAOYSA-N 211.062 2.513 0 40 BFAB OCc1cc2ccccc2nc1NCC1CC1 84594834 QXDJMHLQPZEDJC-UHFFFAOYSA-N 228.295 2.549 0 40 BFAB CCS[C@@H]1CCC[C@H](NC(=O)N(C)CC)C1 84760740 OCSXWZBMOSQJNP-WDEREUQCSA-N 244.404 2.712 0 40 BFAB CC[C@@H](C)[C@H](C)Nc1nc(CC(=O)O)cs1 87665286 ZIIIKLCUTXJLGP-SFYZADRCSA-N 242.344 2.617 0 40 BFAB Fc1ccccc1-c1nnc([C@H]2CCCCN2)o1 96896005 LWKLAFNGPJWONH-LLVKDONJSA-N 247.273 2.690 0 40 BFAB C[C@H]1CC(NCCSCC2CC2)C[C@H](C)O1 97231109 LBRNZFCEZNTQAG-QWRGUYRKSA-N 243.416 2.675 0 40 BFAB C=CC(=O)O[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 100025623 PSGCQDPCAWOCSH-GIPNMCIBSA-N 208.301 2.930 0 40 BFAB CC(C)c1cc(O)n(-c2nc3ccccc3[nH]2)n1 101983913 ZJEQCXLRTRLVCJ-UHFFFAOYSA-N 242.282 2.578 0 40 BFAB CC(=O)NC(C)(C)c1ccccc1Cl 142381557 DFSOHQDMXZJTJT-UHFFFAOYSA-N 211.692 2.711 0 40 BFAB CC1=C(C)[C@H](NC(C)(C)C)N(C(C)(C)C)C1=O 199404083 BOSDODGIPFBMNF-LLVKDONJSA-N 238.375 2.678 0 40 BFAB CCCn1c(CC(C)C)ccc1C(=O)OC 226022770 UTXIPEMITOXGHM-UHFFFAOYSA-N 223.316 2.883 0 40 BFAB CC[C@H](Cl)C(=O)c1cccc(N(C)C)c1 382677802 ZUNHALLAXGWTGY-NSHDSACASA-N 225.719 2.953 0 40 BFAB O=C(NCc1ccc(-c2ccoc2)cc1)C1CC1 390828404 AWDXZOQTPOOXLO-UHFFFAOYSA-N 241.290 2.973 0 40 BFAB Cc1nccc(O[C@@H]2CCc3ccccc32)n1 585651769 HDTRGQMRHIUNDX-CYBMUJFWSA-N 226.279 2.851 0 40 BFAB COc1cccc(C(=O)N2CCCC[C@@H]2C)c1 30028 BCWADJPUGGUUSP-NSHDSACASA-N 233.311 2.710 0 40 BFAB CC(C)(C)NC(=S)Nc1ccc(F)cc1 493350 IWZGIPVTSGGNME-UHFFFAOYSA-N 226.320 2.911 0 40 BFAB CCC[C@H](C)NC(=O)c1ccccc1OC 1017034 MZNRIVNAMOMSEE-JTQLQIEISA-N 221.300 2.614 0 40 BFAB CC(=O)Oc1ccc2c(c1)-c1ccccc1C2=O 1713235 XIUXCOMVLLLNRG-UHFFFAOYSA-N 238.242 2.823 0 40 BFAB CCC(CC)[C@@H](C(N)=O)c1ccccc1 1870220 SETRRRBRWWJNQL-GFCCVEGCSA-N 205.301 2.692 0 40 BFAB O=C(O)[C@H](c1ccccc1)c1cccs1 2042244 QIMHOHNDXHYFIP-LLVKDONJSA-N 218.277 2.965 0 40 BFAB COc1cc2c(cc1C(C)C)[C@@H](C(=O)O)C2 3848162 WYLGUOFKWBTYQN-NSHDSACASA-N 220.268 2.543 0 40 BFAB biogenic C1CN=C(NC23CC4CC(CC(C4)C2)C3)C1 4141217 YYBUOIJDCNFOLU-UHFFFAOYSA-N 218.344 2.737 0 40 BFAB Cc1ccccc1[C@@H]1NC(=O)c2ccccc2O1 5001178 KRDFUNCTNHRIKU-OAHLLOKOSA-N 239.274 2.816 0 40 BFAB CC[C@]1(C)NN=C(c2ccccc2)S1 5954003 LDFPRHROIOPEKW-LLVKDONJSA-N 206.314 2.811 0 40 BFAB Cc1ccc(O[C@@H](C)C(=O)NCC(C)C)cc1C 8480273 KIGWQHMPIKNBRO-ZDUSSCGKSA-N 249.354 2.843 0 40 BFAB O=C(CCc1ccco1)Nc1cccc(F)c1 12976343 MDANSIRORZQUMY-UHFFFAOYSA-N 233.242 2.990 0 40 BFAB CCCn1c(=S)[nH]c2sc(C)cc2c1=O 16972455 KPDKPYWFRUDSTN-UHFFFAOYSA-N 240.353 2.839 0 40 BFAB C[C@H]1CCCC[C@H]1NC(=O)c1ccc(N)cc1 22172770 ZMYAMKAVLJRVIV-GXFFZTMASA-N 232.327 2.577 0 40 BFAB Cc1oc(C)c(C(=O)Nc2ccncc2)c1C 28668210 VNOBOXLAFCLZBU-UHFFFAOYSA-N 230.267 2.852 0 40 BFAB Cc1ccccc1CN(C)C(=O)C(C)(C)C 33000252 HLSMHGNXAWQLKM-UHFFFAOYSA-N 219.328 3.000 0 40 BFAB CN(Cc1ccco1)C(=O)c1ccccc1F 33028175 RLSZGMSSUCMXSR-UHFFFAOYSA-N 233.242 2.691 0 40 BFAB Nc1ccc(NC2CCCCC2)c(C(=O)O)c1 37930132 NLACCOSMTQJIGF-UHFFFAOYSA-N 234.299 2.712 0 40 BFAB Clc1nccc(NCc2cccs2)n1 38579706 SRTYKWUAAVWWRA-UHFFFAOYSA-N 225.704 2.804 0 40 BFAB Cc1noc(C)c1CN(C)CCc1ccccc1 42133098 OZJXAAVFVYAOGP-UHFFFAOYSA-N 244.338 2.966 0 40 BFAB CCCCCC[C@@H](C)N[C@H]1CCN(C)C1 42545286 CDJICRAKDPTLLQ-OLZOCXBDSA-N 212.381 2.639 0 40 BFAB CC(C)c1cccc(OCC(=O)N2CCCC2)c1 47209241 JOYFBPYPQZFLGP-UHFFFAOYSA-N 247.338 2.811 0 40 BFAB Cc1cc(CN(C)Cc2ccccc2)no1 48375488 YGWJPPKMZAZYAW-UHFFFAOYSA-N 216.284 2.615 0 40 BFAB COC[C@H](C)Nc1cccc(Br)c1 53172258 UPDADHRBLJXYGN-QMMMGPOBSA-N 244.132 2.896 0 40 BFAB Oc1cc(-c2ccc(Cl)cc2F)no1 71976680 RVYYQJCKSDXNOT-UHFFFAOYSA-N 213.595 2.840 0 40 BFAB CCc1ccc(NC(=O)CN2CCC[C@H]2C)cc1 72293094 SFCYARFLJWIGOO-GFCCVEGCSA-N 246.354 2.672 0 40 BFAB c1ccc2ncc(C[C@H]3CCCNC3)cc2c1 72366093 QJPWXCZYSLHBGN-GFCCVEGCSA-N 226.323 2.777 0 40 BFAB CCNCc1c(C)[nH]c2ccc(OC)cc12 83729269 POKFPIDUPRJTQI-UHFFFAOYSA-N 218.300 2.594 0 40 BFAB CC[C@@H](SCC(=O)N(C)C)c1ccccc1 95411517 LZVIBCDSUFZTRP-GFCCVEGCSA-N 237.368 2.959 0 40 BFAB CCCN(Cc1ccco1)C[C@H](N)[C@@H](C)CC 96523961 JQQBLKOMBMKRRE-JSGCOSHPSA-N 238.375 2.865 0 40 BFAB CCCN(Cc1ccco1)C[C@H]1CCCCN1 96523996 GGXOEFBRPZWUIP-CYBMUJFWSA-N 236.359 2.634 0 40 BFAB C=CC(=O)O[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C 100025626 PSGCQDPCAWOCSH-CWSCBRNRSA-N 208.301 2.930 0 40 BFAB CCCCc1ccc(C[C@@H](C(=O)O)N(C)C)cc1 107843507 XRRRHEJBVHXKGE-AWEZNQCLSA-N 249.354 2.587 0 40 BFAB Cc1cc(C)c(NC(=O)c2ccccn2)c(N)c1 226357353 XYKUYHFPHBWEOZ-UHFFFAOYSA-N 241.294 2.533 0 40 BFAB NC12CC(c3ccc(Br)cc3)(C1)C2 258833837 MFYBFADJZGGJQP-UHFFFAOYSA-N 238.128 2.582 0 40 BFAB O=C(NC1CCCC1)NC1CCC(F)(F)CC1 334442009 CBFDAEXNCGPVMI-UHFFFAOYSA-N 246.301 2.806 0 40 BFAB O=C(O)[C@@H]1C[C@@H]1c1cccc(OCC(F)F)c1 408716645 PBYAJEUPVXBXEU-NXEZZACHSA-N 242.221 2.519 0 40 BFAB CC(C)c1ccc2c(N)c(N)ccc2n1 575423605 PFHODAVLANRSCO-UHFFFAOYSA-N 201.273 2.523 0 40 BFAB CO[C@@H](CC(=O)O)C[C@@H](C)CC(C)(C)C 1693475 YDEMTSOBLWQIAR-NXEZZACHSA-N 216.321 2.939 0 40 BFAB COc1ccc(CN(C)c2ccccn2)cc1 1697262 WEXVXDIKUNSXGK-UHFFFAOYSA-N 228.295 2.727 0 40 BFAB CC(=O)N(C)C(=O)Oc1cccc2ccccc12 1719895 DQZKCZGRLGLTKZ-UHFFFAOYSA-N 243.262 2.817 0 40 BFAB O=C(Nc1cccc2ccccc12)N1CC1 1724208 FSJAKBJXFPNYGO-UHFFFAOYSA-N 212.252 2.687 0 40 BFAB COc1cccc(C[C@H]2CCCCCN2)c1 3734969 OJEGIPFGVWEOGH-CYBMUJFWSA-N 219.328 2.770 0 40 BFAB O=C(O)c1cccc(Cc2ccccc2)c1 5947249 WHUFYYNKCXXKSU-UHFFFAOYSA-N 212.248 2.976 0 40 BFAB in-vitro Cc1ccc(/C=C/c2n[nH]c(=S)[nH]2)o1 8981636 YDNYUEONBNKKRC-SNAWJCMRSA-N 207.258 2.539 0 40 BFAB in-vitro COC(=O)CCSCc1ccc(C)cc1 16970802 WRHHPYRVOBOVLD-UHFFFAOYSA-N 224.325 2.791 0 40 BFAB Cn1cc(CNc2cccc(Cl)c2)cn1 20075147 MRWYOAGGCREORB-UHFFFAOYSA-N 221.691 2.686 0 40 BFAB COC(=O)c1ccc(Cn2c(C)ccc2C)o1 20447565 KEBVONOFEAAXIV-UHFFFAOYSA-N 233.267 2.533 0 40 BFAB Fc1ccccc1COCC[C@H]1CCCCN1 28522156 OLTAJZYBJSSXTF-CYBMUJFWSA-N 237.318 2.875 0 40 BFAB CCCNC(=O)[C@@H](C)Sc1ccccc1 31866497 VXHLUSGKOOWBTG-SNVBAGLBSA-N 223.341 2.693 0 40 BFAB C[C@@H](O)Cc1ccc(Cl)cc1Cl 32010415 CNAHQWRKXSWOST-ZCFIWIBFSA-N 205.084 2.917 0 40 BFAB O=[S@@](O)c1ccc(Cl)cc1Cl 34558779 OKUBMVUZAZAYAI-UHFFFAOYSA-N 211.069 2.574 0 40 BFAB COc1ccc(Nc2ncc(C)cc2N)cc1 36242832 CZAJGXSBSWFDDX-UHFFFAOYSA-N 229.283 2.724 0 40 BFAB CCCc1noc(-c2cc(N)ccc2Cl)n1 37484031 IDQVWVBBXDLTDH-UHFFFAOYSA-N 237.690 2.925 0 40 BFAB Fc1ccc(-c2noc(-c3ccc[nH]3)n2)cc1 45893779 GTDVDJLIMDFUSL-UHFFFAOYSA-N 229.214 2.871 0 40 BFAB c1ccc(-c2ccccc2-n2cnnc2)cc1 65395150 XAWXZBMZBYYBLO-UHFFFAOYSA-N 221.263 2.934 0 40 BFAB CCc1ccc(-c2nocc2C(=O)O)cc1 71519944 AUGKLDPYWQGNQD-UHFFFAOYSA-N 217.224 2.602 0 40 BFAB CC(C)=CCN1CCC[C@@H]1c1cnn(C)c1 71797279 NDBXHUUCVRENBE-CYBMUJFWSA-N 219.332 2.523 0 40 BFAB CC[C@H](c1ccccc1)N(C(=O)[C@H](C)N)C(C)C 79421262 MOIDWJJBYDBHIQ-GXTWGEPZSA-N 248.370 2.722 0 40 BFAB Cc1ccc(CC2CC(C(=O)O)C2)cc1 83985338 XWZQTJTYQWJPDP-UHFFFAOYSA-N 204.269 2.648 0 40 BFAB F[C@@H]1Oc2cc(Cl)ccc2OC1(F)F 91252136 WHQOTEIXXRDIOO-SSDOTTSWSA-N 224.565 3.000 0 40 BFAB CC(C)[C@@](C)(O)c1ccc(N(C)C)cc1 95739269 LKJAZNCSTMQMMK-CYBMUJFWSA-N 207.317 2.616 0 40 BFAB CCC[C@@H]1C[C@@H]1NC(=O)Nc1ccncc1F 97135940 YXICRCWWFLHCIM-KCJUWKMLSA-N 237.278 2.531 0 40 BFAB CC(C)Cc1csc(-c2cnccn2)n1 98018927 UXTCRPDXGAFAGG-UHFFFAOYSA-N 219.313 2.799 0 40 BFAB CCOC1(OCC)C[C@H]2[C@@H]3CC[C@H](C3)[C@H]21 101045014 CXXNIJGNUVQONK-WISYIIOYSA-N 210.317 2.822 0 40 BFAB COP(=O)(OC)OCc1ccccc1 114983048 VFKYXFWRQLWZAI-UHFFFAOYSA-N 216.173 2.604 0 40 BFAB CCOC(=O)c1cnc2c(F)c(F)ccc2c1 165731518 ZTEPBFKSDNOMKN-UHFFFAOYSA-N 237.205 2.690 0 40 BFAB CCc1nc(C)ccc1OCc1ncc(C)o1 190769679 DCYONQYTLZOGSZ-UHFFFAOYSA-N 232.283 2.828 0 40 BFAB CCOC(=O)c1cc(-c2cccc(OC)c2)on1 198662818 IYVNNFAVPARPGW-UHFFFAOYSA-N 247.250 2.527 0 40 BFAB Fc1cc(Br)cc(C2OCCO2)c1 199553654 ZTWPGNNWIPJFMY-UHFFFAOYSA-N 247.063 2.634 0 40 BFAB CC(C)(C)c1ccc(OCC(N)=O)c(Cl)c1 216909006 JCLYNEZXVPSBDL-UHFFFAOYSA-N 241.718 2.502 0 40 BFAB O=C(c1ccccn1)c1coc2cc(O)ccc12 218709717 NZCWHEYZXAFPEF-UHFFFAOYSA-N 239.230 2.764 0 40 BFAB CCCCCNC(=S)Nc1cccc(C)n1 225379400 SCQRXQABSULTBI-UHFFFAOYSA-N 237.372 2.867 0 40 BFAB C[C@@H]1[C@@H](NC(=O)c2cccn2C)CCC[C@H]1C 245237492 KWPRIPGEVQVWIX-WOPDTQHZSA-N 234.343 2.580 0 40 BFAB Cc1cc(-c2ccc(F)c(F)c2)[nH]c1C(=O)O 257579221 MUTNRANMULZGJX-UHFFFAOYSA-N 237.205 2.967 0 40 BFAB COC(=O)CCC(=O)c1cc(F)ccc1Cl 309212866 ICLPXDMZUUHDCA-UHFFFAOYSA-N 244.649 2.615 0 40 BFAB C[C@H]1CN=C(Nc2ccccc2F)S1 86376 WAORFBXSARWMHX-ZETCQYMHSA-N 210.277 2.729 0 40 BFAB Cc1cccnc1N[C@@H]1OC(=O)c2ccccc21 164880 HRGYUBXMOFMPQO-CYBMUJFWSA-N 240.262 2.671 0 40 BFAB COc1ccc(OC)c(CNCc2ccco2)c1 784591 BSKGXVONRAQVIE-UHFFFAOYSA-N 247.294 2.587 0 40 BFAB CN(C)C(=O)c1ccc(-c2ccccc2)cc1O 1621061 WEMUEFCEQBXZPG-UHFFFAOYSA-N 241.290 2.761 0 40 BFAB CCC[C@@](C)(O)Cc1ccc(CC)cn1 1691546 LQMGOMNSAKDVPD-CYBMUJFWSA-N 207.317 2.738 0 40 BFAB C[C@@H](CC(=O)c1ccccc1)N1CCCC1 1724540 GELYRENCUZZKHM-LBPRGKRZSA-N 217.312 2.744 0 40 BFAB C[C@@H](NC1=NCCO1)c1cccc2ccccc12 1852655 SCRJZRRUFDMNKH-LLVKDONJSA-N 240.306 2.877 0 40 BFAB CN(C)C(=S)SC/C=C/n1cccc1 5719537 VZHYOLLTRDUWGT-VMPITWQZSA-N 226.370 2.539 0 40 BFAB Fc1ccc(C(=S)N2CCCC2)cc1 9189014 ORMKRINJORFSQW-UHFFFAOYSA-N 209.289 2.597 0 40 BFAB CCCN(CCC)c1nc2ccccc2nc1O 12504695 CAQCNYSPSPSZGX-UHFFFAOYSA-N 245.326 2.962 0 40 BFAB COc1ccccc1CCC1CCNCC1 13483616 UHNOFEFWGGDKHV-UHFFFAOYSA-N 219.328 2.627 0 40 BFAB O=C(O)COc1cccc(Oc2ccccc2)c1 13609156 GYOBTWNKHXAGNK-UHFFFAOYSA-N 244.246 2.942 0 40 BFAB CCn1nccc1C(=O)Nc1cc(C)ccc1C 13699184 NSCUMPUQZAPMIJ-UHFFFAOYSA-N 243.310 2.772 0 40 BFAB Cc1ccc(C)c(O[C@H](C)C(=O)NCC(C)C)c1 13710118 YEEVLGVDEUMPEZ-CYBMUJFWSA-N 249.354 2.843 0 40 BFAB C[C@H]1C[C@@H](C)CN(Cc2ccc(C(=O)O)cc2)C1 15418194 UNFKFDPZANOSFJ-TXEJJXNPSA-N 247.338 2.863 0 40 BFAB Cc1nc2ccccc2n1[C@H](C(=O)O)C(C)C 19410821 LBSTVAAYZYPZIB-LBPRGKRZSA-N 232.283 2.626 0 40 BFAB in-vitro O=C(C1CCCC1)N1CCC[C@H]1c1ccncc1 32907475 FOOCVYOSNXDENF-AWEZNQCLSA-N 244.338 2.935 0 40 BFAB CCN(Cc1cccc(F)c1)C(=O)[C@H]1C[C@H]1C 40462419 IUBOXIMXFNQZKZ-MFKMUULPSA-N 235.302 2.830 0 40 BFAB C[C@@H]1CCC[C@H](NC(=O)c2ccnc(F)c2)C1 41038981 CQPOUINBWZXCAO-KOLCDFICSA-N 236.290 2.529 0 40 BFAB CCc1nnc(CN(C)CC2CCCCC2)o1 44000196 GDESSLQWSPMYJT-UHFFFAOYSA-N 237.347 2.644 0 40 BFAB Nc1ccc(Oc2cccnn2)c(Cl)c1 52831448 YVXIPCCFWZUYFZ-UHFFFAOYSA-N 221.647 2.505 0 40 BFAB in-vitro C=CS(=O)(=O)c1ccc(C(F)(F)F)cc1 54186958 IFGAAFFKMIPBOK-UHFFFAOYSA-N 236.214 2.623 0 40 BFAB O=C(c1ccc(Cl)o1)N1CCCCCC1 58316114 IMGDNPPDDSWBOY-UHFFFAOYSA-N 227.691 2.949 0 40 BFAB O=C(NCC1CC1)[C@H]1C[C@H]1c1cccc(Cl)c1 58341071 ISCDKVGXFKQCPH-STQMWFEESA-N 249.741 2.970 0 40 BFAB CC(=O)NC1(c2ccc(F)cc2)CCCC1 64851244 UPFLIYVVTNETPN-UHFFFAOYSA-N 221.275 2.731 0 40 BFAB CCOc1ccccc1NC(=O)c1ccc[nH]1 71846814 MICUOVZPCMRHNS-UHFFFAOYSA-N 230.267 2.666 0 40 BFAB Nc1cc(Br)cc(C2CC2)c1 72193358 HBKYNRXPLWQOGY-UHFFFAOYSA-N 212.090 2.909 0 40 BFAB Cc1cc(CCO)cnc1N(C)c1ccccc1 72222317 MISVKSOVQLYYGA-UHFFFAOYSA-N 242.322 2.693 0 40 BFAB CC[C@@H](O)c1ccc(NC(C)C)nc1C 72224048 GFJJGRLKYXCQHY-LLVKDONJSA-N 208.305 2.654 0 40 BFAB CN(Cc1cccnc1)C(=O)NC1CCCCC1 74903624 TWCZOMZURLWEEU-UHFFFAOYSA-N 247.342 2.556 0 40 BFAB C[C@@H](Cc1ccoc1)NC(=O)Cc1cccs1 84829307 YOLFMMSBZLNMGU-JTQLQIEISA-N 249.335 2.631 0 40 BFAB Fc1cncc(Cl)c1Br 95761879 KORXILCJYZLTDE-UHFFFAOYSA-N 210.433 2.637 0 40 BFAB in-vitro Cc1nc2ccc(Cl)nc2n1C1CC1 96311457 RFVXTFOOPKLEBT-UHFFFAOYSA-N 207.664 2.728 0 40 BFAB NCC1CCN(CCCCc2ccccc2)CC1 96523630 APQINFQLVAOFQG-UHFFFAOYSA-N 246.398 2.680 0 40 BFAB C[C@H](O[C@@H]1CCNC1)c1ccc(Cl)cc1 96529821 HNSAYWWKVSGZOD-JOYOIKCWSA-N 225.719 2.780 0 40 BFAB CCC[C@@H](NC)C(=O)c1ccc(Cl)cc1 575440694 OPCMVVKRCLOEDQ-LLVKDONJSA-N 225.719 2.911 0 40 BFAB in-vitro COC(=O)c1cc(OC)ccc1OC(C)(C)C 2362804644 DVDZIZKHGFHXQC-UHFFFAOYSA-N 238.283 2.659 0 40 BFAB CC(C)N1C(=O)CS[C@@H]1c1ccccc1 277907 HXSXRBBKEPKDKT-GFCCVEGCSA-N 221.325 2.669 0 40 BFAB CCOc1ccc(-c2cc(C(=O)OC)on2)cc1 376593 XVMIEHFADLSXCV-UHFFFAOYSA-N 247.250 2.527 0 40 BFAB C[C@]1(C2CC2)NN=C(c2ccccc2)S1 432674 NSYZZGAACDBMJT-LBPRGKRZSA-N 218.325 2.811 0 40 BFAB CC[C@@]1(c2cccc(OC)c2)CCCN1 2243874 QVMWXRFZJTVMSE-ZDUSSCGKSA-N 205.301 2.684 0 40 BFAB in-vitro CCCCC(=O)Nc1cccnc1Cl 6039799 GLPFPSNBQHCIKW-UHFFFAOYSA-N 212.680 2.864 0 40 BFAB CC(C)c1nnc(COc2ccc(C=O)cc2)o1 8731387 VTGRVUGLXTUZCM-UHFFFAOYSA-N 246.266 2.585 0 40 BFAB CSc1nc(-c2ccc(Cl)cc2)n[nH]1 18004728 YXVAYMRODBYXIQ-UHFFFAOYSA-N 225.704 2.847 0 40 BFAB in-vivo Cc1ccccc1NC(=O)CNCCC(C)C 20047183 VENBQBPUXSUASS-UHFFFAOYSA-N 234.343 2.569 0 40 BFAB CCN(CC)C(=O)Nc1ccc(C(C)=O)cc1 20283412 ZPLWLVOUNZGRFO-UHFFFAOYSA-N 234.299 2.763 0 40 BFAB O=Cc1c(Cl)n[nH]c1-c1ccccc1 26476227 FHSRLMAXEZODQU-UHFFFAOYSA-N 206.632 2.543 0 40 BFAB O=C([C@@H]1CC=CCC1)N1CCc2ccccc21 32999924 MUMRQXCLHUXEPC-CYBMUJFWSA-N 227.307 2.932 0 40 BFAB NCc1cc(Cl)ccc1OCC1CC1 36765171 LQPWFZIPDODLDD-UHFFFAOYSA-N 211.692 2.588 0 40 BFAB CCOC(=O)[C@H]1C[C@H]1c1ccccc1C 39321477 DSCOQCBAVINWIM-RYUDHWBXSA-N 204.269 2.662 0 40 BFAB Cc1nscc1C(=O)Nc1ccccc1 40757010 FHVXJENXQVGAEM-UHFFFAOYSA-N 218.281 2.704 0 40 BFAB CC[C@@H](C)[C@@H](N)CN(CC(C)C)CC(C)C 42034582 VNSBHYAEYKTNTB-KGLIPLIRSA-N 228.424 2.974 0 40 BFAB Clc1cnc2c(Br)c[nH]c2c1 44712905 PCNBZQBBFVMANE-UHFFFAOYSA-N 231.480 2.979 0 40 BFAB in-vitro CCOC(=O)c1cnc2c(CC)cccc2c1N 47913010 GCOBGJWZSBKCDK-UHFFFAOYSA-N 244.294 2.556 0 40 BFAB CCc1n[nH]c([C@H](CC)c2ccccc2)n1 48630648 COVKBYKOIRUDHK-LLVKDONJSA-N 215.300 2.909 0 40 BFAB Cc1ccc(-c2nc(-c3ccco3)no2)cc1N 54444850 WMIUKJLCVCPKEG-UHFFFAOYSA-N 241.250 2.887 0 40 BFAB CC(C)CC(=O)Nc1ccc(C(=O)O)cc1F 63008787 XOQDZTPVDSAQQQ-UHFFFAOYSA-N 239.246 2.509 0 40 BFAB in-vitro CCOc1cccc(NC(=O)N(CC)CC)c1 71944043 ORGXAHGXMBXDHC-UHFFFAOYSA-N 236.315 2.959 0 40 BFAB Cc1cc(O)ncc1[C@H]1CCCN1C(C)C 72218140 HHRLKFXTHATAHE-GFCCVEGCSA-N 220.316 2.641 0 40 BFAB Cc1cc(C)nc([C@@H]2CCCN(C(C)C)C2)n1 72356991 UATRVSULFIGKJG-CYBMUJFWSA-N 233.359 2.681 0 40 BFAB N[C@H]1CCCC[C@@H]1NCc1ccc(Cl)cc1 72411164 FBVLDSYXYDSPMZ-STQMWFEESA-N 238.762 2.700 0 40 BFAB CCCCc1ccc2[nH]c(=O)sc2c1 73638428 INUTZCNYJJCMOK-UHFFFAOYSA-N 207.298 2.932 0 40 BFAB C[C@H](NC(=O)N(C)[C@@H](C)C1CC1)c1ccccn1 79213013 HBTQPSFSJDWGOJ-QWRGUYRKSA-N 247.342 2.583 0 40 BFAB CON[C@H]1CCCOc2c(C)cc(C)cc21 85345044 WVGDYKCYUNBSEO-LBPRGKRZSA-N 221.300 2.668 0 40 BFAB Cc1cc(C)c2cc(F)c(C(=O)O)nc2c1 90376417 QHMGIXXBAOMOBC-UHFFFAOYSA-N 219.215 2.689 0 40 BFAB C[C@H](c1ccccn1)N(C)Cc1cncs1 97058763 FZUHMAYEVUJOKB-SNVBAGLBSA-N 233.340 2.731 0 40 BFAB c1cc2c(cc1CN1CCCSCC1)CCO2 97113626 ICIHMNLXLPMQJU-UHFFFAOYSA-N 249.379 2.560 0 40 BFAB CC(C)O[C@@H](CN)Cc1ccc(Cl)cc1 204738169 GPHMEGCEFAVBCZ-GFCCVEGCSA-N 227.735 2.635 0 40 BFAB C[C@H](NN)c1ccc(SC(F)(F)F)cc1 228943833 GOFVBQXASKZVPZ-LURJTMIESA-N 236.262 2.823 0 40 BFAB CN(c1ccc2ccccc2n1)[C@H]1CCC[C@@H]1O 585298207 RJELDFTWYWKROR-KBPBESRZSA-N 242.322 2.584 0 40 BFAB O=C(O)c1c(OC2CC2)cnc2cccc(F)c12 685937436 PNOAUSNNMQKUIE-UHFFFAOYSA-N 247.225 2.613 0 40 BFAB COC(=O)[C@@H]1C[C@H]1c1ccc(C)cc1C 1857793769 MPTUNAHTWJBMSY-NWDGAFQWSA-N 204.269 2.580 0 40 BFAB CC(=O)Nc1ccc(C(C)(C)C)cc1NC(C)=O 345692 CBWWMWFGYSIBDE-UHFFFAOYSA-N 248.326 2.901 0 40 BFAB O=C(CC[C@H]1CCCC1=O)c1ccccc1O 519252 MAZMUXBBTPTKSB-SNVBAGLBSA-N 232.279 2.724 0 40 BFAB biogenic Nc1ccccc1/C=C1/C(=O)Nc2ccccc21 1402243 XVNZRLIIZWMRDT-FMIVXFBMSA-N 236.274 2.762 0 40 BFAB C[C@H]1OC(=O)c2cc3ccccc3cc2O1 1667428 RCEXFCZCUFWSOF-MRVPVSSYSA-N 214.220 2.735 0 40 BFAB O[C@H]1C[C@]2(Cl)C[C@@]1(Cl)C(Cl)=C2Cl 1768998 VZOAOSMRYBAPJZ-ZIMNBKJVSA-N 247.936 2.799 0 40 BFAB C[C@@H](O)CCc1ccc2c(c1)N[C@H](C)CC2 3844783 VQCFFZSNUJTBPB-GHMZBOCLSA-N 219.328 2.747 0 40 BFAB biogenic Cc1cc(N2C[C@H](C)O[C@@H](C)C2)nc(C(C)C)n1 4087972 BHGVTJFROQCXLB-RYUDHWBXSA-N 249.358 2.522 0 40 BFAB c1ccc(C2=N[C@H]3CCCC[C@H]3O2)cc1 5766938 IIERPKDURDRYMZ-NWDGAFQWSA-N 201.269 2.775 0 40 BFAB CC[C@H](C)NC(=O)[C@@H](CC)Oc1ccccc1 6120914 CYVVEDPDZVYQFA-WCQYABFASA-N 235.327 2.759 0 40 BFAB COC(=O)c1ccc(Cl)c(-n2cccc2)c1 6802737 KCHOAMNUILIVDO-UHFFFAOYSA-N 235.670 2.917 0 40 BFAB CC[C@@H]1SC(N)=N[C@H]1c1ccccc1 8652286 RKWVKNRVVGGJKE-UWVGGRQHSA-N 206.314 2.568 0 40 BFAB CC[C@H](C)C(=O)Nc1ccc(Cl)cc1N 8732411 BGSZFVVFAJDGLR-ZETCQYMHSA-N 226.707 2.907 0 40 BFAB CN1c2ccccc2C(=O)N[C@H]1c1ccsc1 8744612 KDINDEGTUAULHF-GFCCVEGCSA-N 244.319 2.627 0 40 BFAB CC[C@@H](C)NC(=O)c1ccc(Cl)s1 12881479 LSPXAQVEWZZJNT-ZCFIWIBFSA-N 217.721 2.930 0 40 BFAB CC1=C2[C@@H]3OC(=O)[C@H](C)[C@@H]3CC[C@@]2(C)C(=O)CC1 14452001 RSDQBPGKMDFRHH-JLBHGKSJSA-N 248.322 2.644 0 40 BFAB biogenic CN[C@@H](C)c1ccc(C(F)(F)F)cc1 16082641 HJCYBPVJJPKIFJ-ZETCQYMHSA-N 203.207 2.986 0 40 BFAB in-vitro CCN(CCC(=O)O)c1cc(C)cc(C)c1 20133842 MCHTXBZIPODYEJ-UHFFFAOYSA-N 221.300 2.604 0 40 BFAB CCCNC(=O)[C@@H](C)Oc1cc(C)cc(C)c1C 20483851 ITIZDCOHUWCRFL-CYBMUJFWSA-N 249.354 2.905 0 40 BFAB CCOc1ccccc1[C@@H]1C[C@H]1C(C)=O 20594352 KONPPYQVYNWOOL-RYUDHWBXSA-N 204.269 2.778 0 40 BFAB Nc1onc(C(F)(F)F)c1Cc1ccccc1 26512574 YNYLGDWUDDQVSE-UHFFFAOYSA-N 242.200 2.866 0 40 BFAB CCONC(=O)c1ccc(OC2CCCC2)cc1 36392668 UIPPWISLEAIUDB-UHFFFAOYSA-N 249.310 2.689 0 40 BFAB CCCC[C@H](C)NCCCOC[C@H]1CCCO1 37233856 DIGDHFOBCVSJTQ-UONOGXRCSA-N 243.391 2.740 0 40 BFAB O=C(O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F 37380697 URRRSJNYUQVDCI-YUMQZZPRSA-N 246.184 2.773 0 40 BFAB in-vitro Oc1nc(-c2c(Cl)cccc2Cl)no1 37926840 XKNVRFFMBMAOMN-UHFFFAOYSA-N 231.038 2.749 0 40 BFAB CCOC(=O)[C@@H]1C[C@H]1c1ccccc1C 39321475 DSCOQCBAVINWIM-NWDGAFQWSA-N 204.269 2.662 0 40 BFAB c1ccc2sc(NCc3cc[nH]n3)nc2c1 40436305 ICKUIKQFJLTKAW-UHFFFAOYSA-N 230.296 2.632 0 40 BFAB COc1ccc(CN2C[C@H](C)OCC2(C)C)cc1 41194200 IMHMKHDOQBIJNG-LBPRGKRZSA-N 249.354 2.695 0 40 BFAB O=C(CCCc1ccccc1)[C@H]1CCCNC1 41257962 XMDLYZRBGSUPTE-AWEZNQCLSA-N 231.339 2.578 0 40 BFAB CN(C)C(=O)CSCc1cccc(Cl)c1 44866996 HGXSBTBYODXTPP-UHFFFAOYSA-N 243.759 2.661 0 40 BFAB CC(C)(C)NCc1ccc(Br)cn1 61862815 LVPVGDVGGWEWMY-UHFFFAOYSA-N 243.148 2.732 0 40 BFAB CNc1ncc(CNC2CCCCCCC2)cn1 62717468 BLSNKJFYPZCEIL-UHFFFAOYSA-N 248.374 2.721 0 40 BFAB CCN1CCCC[C@H]1c1ncccc1C 72211148 ULOVRFROGOBDNM-LBPRGKRZSA-N 204.317 2.937 0 40 BFAB Nc1ccc2nc(-c3ccc(Cl)cn3)[nH]c2c1 74941776 QGKOJJAVBDPHRM-UHFFFAOYSA-N 244.685 2.861 0 40 BFAB in-vitro O=C(O)C1(c2cccc(F)c2F)CCCC1 75932620 RJYRSHMDRKQMFR-UHFFFAOYSA-N 226.222 2.861 0 40 BFAB O[C@H](c1cccc(F)c1F)C(F)(F)F 82523119 FWGUMEVCNXPUBD-SSDOTTSWSA-N 212.117 2.561 0 40 BFAB CN(C)C(C)(C)C(=O)Nc1ccc(Cl)cc1 84139890 VDQCHJOPESERHT-UHFFFAOYSA-N 240.734 2.619 0 40 BFAB Cc1cccc(C2(CC(=O)O)CCC2)c1 84367579 NZKHAEAKWUFJHW-UHFFFAOYSA-N 204.269 2.891 0 40 BFAB Cc1occc1-c1nnc(-c2ccccc2N)o1 85386173 VBHHRTFIDPMZMK-UHFFFAOYSA-N 241.250 2.887 0 40 BFAB CN(CCOCC1CC1)C(=O)Nc1ccccc1 86991745 DLIAMHZSTPCRGP-UHFFFAOYSA-N 248.326 2.577 0 40 BFAB CN(C)C(=O)c1ccc(-c2cscn2)cc1 87056341 YRMVSFTZOWKBBX-UHFFFAOYSA-N 232.308 2.512 0 40 BFAB Cc1ocnc1C(=O)N1c2ccccc2C[C@H]1C 89556255 WZRBQIUJXNCTKI-SECBINFHSA-N 242.278 2.574 0 40 BFAB CC(=O)N1CCC[C@@H]1c1ccc(C)c(C)c1 89643195 FSINBBAOXOBSDZ-CQSZACIVSA-N 217.312 2.987 0 40 BFAB CC(=O)N[C@@H](Cc1ccccc1)C(C)(C)C 95959980 DSJDTLINJDZEII-ZDUSSCGKSA-N 219.328 2.780 0 40 BFAB O=C(O)c1cc2c(C(F)(F)F)nccc2o1 96509850 DMBIROCGOPCSLA-UHFFFAOYSA-N 231.129 2.545 0 40 BFAB COc1ccc(C)nc1NCc1c(C)noc1C 97045284 KUNCHXKSKLCOBR-UHFFFAOYSA-N 247.298 2.616 0 40 BFAB CC(=O)c1ccc(NC(=O)COCC(C)C)cc1 98087209 UEJPKEBLYCBLPQ-UHFFFAOYSA-N 249.310 2.500 0 40 BFAB O=C(OCc1ccco1)[C@@H]1C[C@H]2C=C[C@H]1C2 100078187 NKLRWURIOVXVAB-JBLDHEPKSA-N 218.252 2.535 0 40 BFAB CCOC(=O)[C@H]1C[C@@H](OCc2ccccc2)C1 100081654 BOBSPEXKRNDFCE-JOCQHMNTSA-N 234.295 2.545 0 40 BFAB CCCCNC1=CC(=O)N(c2ccc(C)cc2)C1 217439342 NSNNVRLCSDTIAM-UHFFFAOYSA-N 244.338 2.615 0 40 BFAB Cc1c(Br)cc(C=O)n1C1CC1 225299894 WQAWQEPVLSRXDQ-UHFFFAOYSA-N 228.089 2.706 0 40 BFAB CCCCNc1ccc(C(=O)NC(C)C)cc1N 225406735 LRYFFHSBUPTUOI-UHFFFAOYSA-N 249.358 2.619 0 40 BFAB C[C@H](c1ccccc1)N1CCN[C@H]2CCC[C@@H]21 242495619 GLGPYQCXXCTFDK-SNPRPXQTSA-N 230.355 2.574 0 40 BFAB COC(=O)c1c[nH]c2cccc(C(F)(F)F)c12 259617885 CDIJZWACMSBXMO-UHFFFAOYSA-N 243.184 2.973 0 40 BFAB CCN(c1ccc(C)c(C)c1)[C@H](C)C(=O)O 260677426 DMMNJTYPICJOCP-LLVKDONJSA-N 221.300 2.603 0 40 BFAB CCCOCc1nn(C(F)F)cc1Cl 408715492 SORRBOTWAHFTPO-UHFFFAOYSA-N 224.638 2.858 0 40 BFAB CN(C)C1CC=CCC(N(C)C)CC=CC1 705960018 CSMNZRTUTXHIAI-UHFFFAOYSA-N 222.376 2.533 0 40 BFAB c1coc(CNc2c[nH]c3nccc-3c2)c1 1560588744 KCVSBPYBJIGWBU-UHFFFAOYSA-N 213.240 2.720 0 40 BFAB COc1cccc(C(=O)Nc2cccc(C)n2)c1 92708 RGDXTZSZZQXINX-UHFFFAOYSA-N 242.278 2.651 0 40 BFAB in-vivo OCc1ccccc1Sc1ccccc1CO 134475 JTBORKYQQJPTIO-UHFFFAOYSA-N 246.331 2.822 0 40 BFAB CC(C)c1nc2ccccc2n1C[C@@H](C)C(=O)O 316317 QUXGGGMURXCUCP-SNVBAGLBSA-N 246.310 2.880 0 40 BFAB CC(=O)O[C@@H]1c2ccccc2-c2ccc(N)cc21 2042382 BAHKMULJQUPVCF-OAHLLOKOSA-N 239.274 2.902 0 40 BFAB O=C1C[C@H](c2ccccc2)Cc2ccncc21 3847435 LCEVYMOTODREQX-CYBMUJFWSA-N 223.275 2.994 0 40 BFAB biogenic CCCCC(=O)c1c(O)c2ccccc2oc1=O 3957296 UOUQUFVBCJNHNY-UHFFFAOYSA-N 246.262 2.872 0 40 BFAB Cc1ccc([C@@H](O)c2ccccc2N)cc1 5330904 HAUFICIUCBBZIK-CQSZACIVSA-N 213.280 2.659 0 40 BFAB C1CC[C@@H]2S[C@@H]3CCCC[C@@H]3N[C@H]2C1 5480405 MGTISLRHMWCSLR-FIQHERPVSA-N 211.374 2.945 0 40 BFAB O=Cc1cn(-c2ccccn2)c2ccccc12 12360229 HXOFNACVRMTGID-UHFFFAOYSA-N 222.247 2.838 0 40 BFAB O=C(NC1CCCC1)c1cc(F)ccc1F 12971846 AQAUULDCFIXSAI-UHFFFAOYSA-N 225.238 2.637 0 40 BFAB O=C(NCc1ccncc1)c1ccccc1Cl 13234626 XKOFVARLFAJHEK-UHFFFAOYSA-N 246.697 2.665 0 40 BFAB N=C(N)c1ccc(COc2ccccc2)cc1 19471973 PWIUJBQMPRRSIX-UHFFFAOYSA-N 226.279 2.550 0 40 BFAB CCc1ccc([C@@H](C)NCCOC)cc1 19881731 NTIJOSUBHKFSHQ-LLVKDONJSA-N 207.317 2.546 0 40 BFAB CCOc1ccccc1[C@H]1C[C@H]1[C@@H](C)O 20392359 CBFYMQPYNYGCPF-ADEWGFFLSA-N 206.285 2.570 0 40 BFAB Cc1c(N)cccc1C(=O)N[C@H]1CCCC[C@@H]1C 22162991 FPQBTQGTUGVXQU-HZMBPMFUSA-N 246.354 2.886 0 40 BFAB Cc1cc(C(=O)N2CCCC2)c(C)s1 32747689 CHYFPAUQMDXQME-UHFFFAOYSA-N 209.314 2.601 0 40 BFAB CCN(C(=O)c1ccc(C)s1)C1CC1 32760906 NBMXDYOTWXZVCE-UHFFFAOYSA-N 209.314 2.681 0 40 BFAB CCC(=O)N1CCC[C@@H]1c1ccc(OC)cc1 32819496 WEJKDJNGWBEPQM-CYBMUJFWSA-N 233.311 2.769 0 40 BFAB Cc1ccccc1CN(C)C(=O)c1ccco1 33000255 RSGCBDPMFINYLW-UHFFFAOYSA-N 229.279 2.860 0 40 BFAB C[C@@H](N)CCc1cccc(C(F)(F)F)c1 33867684 QPVLCHKIGUQAOL-MRVPVSSYSA-N 217.234 2.985 0 40 BFAB CCc1cccc(C)c1NC(=O)NC1CC1 36179004 DMQHTBRZCCLCLR-UHFFFAOYSA-N 218.300 2.841 0 40 BFAB CON(C)C(=O)c1occc1-c1ccccc1 36396253 FKPJZDVOHPMCBM-UHFFFAOYSA-N 231.251 2.580 0 40 BFAB Cc1c(C(=O)O)c(-c2ccccc2)cn1C 37624567 CKKXSMUFMLPYIS-UHFFFAOYSA-N 215.252 2.699 0 40 BFAB Clc1cc2c(cc1Cl)OCCO2 38681049 MSRYWCWCCLEHDI-UHFFFAOYSA-N 205.040 2.765 0 40 BFAB in-vitro Cc1cc(N2CCC[C@@H](O)C2)c2ccccc2n1 40429925 GHTCYJGTVXEFJC-GFCCVEGCSA-N 242.322 2.504 0 40 BFAB Cc1cc(CN2CCC[C@@H](C(F)(F)F)C2)on1 40475863 KOJCEVXFISSQQJ-SECBINFHSA-N 248.248 2.757 0 40 BFAB CCC(=O)N1CCC[C@H]1c1ccsc1 40534462 NHOGSXSEOKVNTK-JTQLQIEISA-N 209.314 2.822 0 40 BFAB Cc1cc(Cl)cnc1NC(=O)c1cccnc1 41107516 DSAMPDOUBRBIOS-UHFFFAOYSA-N 247.685 2.691 0 40 BFAB CC(C)CSCC[C@@H]1CCCCN1 43499525 XXFUKIIBWNDDLE-NSHDSACASA-N 201.379 2.908 0 40 BFAB Clc1cc(NCCc2cccs2)ncn1 48631190 ONENQGSWHNRJLO-UHFFFAOYSA-N 239.731 2.846 0 40 BFAB CCOc1ccc([C@H]2CCC[C@@H]2O)cc1 55230318 CWGWJBOOWBZABT-OLZOCXBDSA-N 206.285 2.714 0 40 BFAB CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccn(C)n2)C1(C)C 58424044 AQTPEKSWUJLIOI-ZYHUDNBSSA-N 247.342 2.597 0 40 BFAB Cc1cccnc1CNc1cccc(F)n1 69771087 TXJOPJZYSADDKJ-UHFFFAOYSA-N 217.247 2.536 0 40 BFAB OCCCN(Cc1ccco1)c1ccccc1 69893214 WGYQUXBGWDRCLN-UHFFFAOYSA-N 231.295 2.669 0 40 BFAB Cc1[nH]c(=S)ccc1[C@H]1CCCCN1C=O 72218413 MEHUXAPSRYGPKF-LLVKDONJSA-N 236.340 2.736 0 40 BFAB c1ccc2c(C[C@H]3CCCNC3)cncc2c1 72367577 HLHHCXMZKSNLQI-GFCCVEGCSA-N 226.323 2.777 0 40 BFAB Cc1cccc(-n2ccc(C(=O)O)c2C)c1 75420471 KGHOVGPHDYVCGC-UHFFFAOYSA-N 215.252 2.792 0 40 BFAB CC(=O)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 81145100 HABRZAPYTNWRRC-LLVKDONJSA-N 241.331 2.613 0 40 BFAB COc1ccc(F)c(/C=C/C(=O)O)c1Cl 83293614 PQUWSBNSSXKBQD-GORDUTHDSA-N 230.622 2.586 0 40 BFAB O=C(O)c1cc2cc(F)cc(F)c2s1 91696105 AKQBFIAFACNRAO-UHFFFAOYSA-N 214.192 2.878 0 40 BFAB FC(F)(F)c1ccc(NN2CCCCC2)cn1 95081590 RIAMHNKUQUBRTF-UHFFFAOYSA-N 245.248 2.913 0 40 BFAB CCOC(=O)c1oc2cc(Cl)ccc2c1N 95929517 RRCMTJDKXYFBJD-UHFFFAOYSA-N 239.658 2.845 0 40 BFAB CCCCC(=O)N[C@@H]1CCC[C@@H](SC)C1 96409461 XPFIERKTXCSNAQ-GHMZBOCLSA-N 229.389 2.967 0 40 BFAB CCCC(=O)N[C@@H]1CCC[C@H]1SCC 96450668 KSALHUBUULOPBW-NXEZZACHSA-N 215.362 2.577 0 40 BFAB CCc1nc(C(=O)OCCC2CCCC2)co1 97097106 GPXXNHIYPLFGRA-UHFFFAOYSA-N 237.299 2.974 0 40 BFAB CCOc1cc(C)ccc1-c1n[nH]cc1C=O 106679501 LJNRUNMFYSLCDW-UHFFFAOYSA-N 230.267 2.596 0 40 BFAB C[C@@H](C(=O)O)N(C)c1cccc2ccccc12 113252205 DFVGBNVFYCYLDR-JTQLQIEISA-N 229.279 2.749 0 40 BFAB CC[C@H](C(=O)O)N(C)c1c(C)cc(C)cc1C 225005755 KWQAEQPIEAGHFQ-GFCCVEGCSA-N 235.327 2.911 0 40 BFAB OC1(Cc2ccc(F)c(Cl)c2)CCOCC1 231060240 FLGSEAWNQUTQFB-UHFFFAOYSA-N 244.693 2.563 0 40 BFAB CC1(c2cc(C(=O)O)no2)CCCCC1 257838311 AWFMVJFSNUICMW-UHFFFAOYSA-N 209.245 2.595 0 40 BFAB COc1ccc(C(F)(F)C23CC(N)(C2)C3)cc1 575624093 DNPRHPKCCMTHMN-UHFFFAOYSA-N 239.265 2.668 0 40 BFAB C[C@@H](Oc1ccc(F)cn1)c1cccnc1 585654811 SUGYNCMTYDGTHT-SECBINFHSA-N 218.231 2.756 0 40 BFAB Clc1cncc(Cn2cnc3c2CCCC3)c1 621299125 VOAQECKROKBSHW-UHFFFAOYSA-N 247.729 2.859 0 40 BFAB CCOC(OCC)c1ccc(OC)cc1 1570894 FTTLMNXOYOVHAG-UHFFFAOYSA-N 210.273 2.767 0 40 BFAB COc1ccc([C@@H]2OCC[C@H](C)O2)cc1 1693699 IDYWJSQHGBGJTL-JOYOIKCWSA-N 208.257 2.519 0 40 BFAB Cc1ccc2c(c1)[C@H]1CCCC(=O)[C@H]1N2 2130869 KQAOLVJMYZHVBN-RNCFNFMXSA-N 201.269 2.626 0 40 BFAB biogenic CCC(=O)NCCOc1cccc2ccccc12 5645321 DOSLGVKAMKIBHM-UHFFFAOYSA-N 243.306 2.745 0 40 BFAB O=C(O)c1ccc2oc(-c3cccnc3)nc2c1 5945157 PXIIHVLGLVLCOG-UHFFFAOYSA-N 240.218 2.588 0 40 BFAB Cc1ccc(NC(=O)c2cnccn2)c(Cl)c1 6272367 LHGFXVZFULNGGU-UHFFFAOYSA-N 247.685 2.691 0 40 BFAB COc1cccc2cc(C(=O)N3CCCC3)oc12 8736265 MJOLVQRRRTYAFW-UHFFFAOYSA-N 245.278 2.677 0 40 BFAB C[C@@H]1CNC[C@@H](C)N1c1ccc(Cl)cc1 11632663 HUVPVGIAPTYLJP-NXEZZACHSA-N 224.735 2.527 0 40 BFAB C[C@H]1CCCN(C(=O)CCc2cccs2)C1 12911254 PMNZDCGWXLNCRF-NSHDSACASA-N 237.368 2.939 0 40 BFAB C[C@H]1C[C@@H]1C(=O)N(C)Cc1ccc(Cl)cc1 12979425 AHXDZHQQWSTZBK-CABZTGNLSA-N 237.730 2.954 0 40 BFAB CC(C)CNC(=O)c1cccc2cccnc12 12988398 GOXHBCGSEJAGIE-UHFFFAOYSA-N 228.295 2.621 0 40 BFAB COc1cccc(NC(=O)N[C@H](C)C(C)C)c1 13048608 LHOFTIAJEXGTPV-SNVBAGLBSA-N 236.315 2.861 0 40 BFAB Nc1ncc(-c2cccc(Br)c2)o1 15442518 RHXWFNOYIJDHPP-UHFFFAOYSA-N 239.072 2.686 0 40 BFAB CN(C)C(=O)c1cc(C2CC2)nc2ccccc12 15516862 PACABHNPFSKHPG-UHFFFAOYSA-N 240.306 2.814 0 40 BFAB NCc1ccc(N2CCCc3ccccc32)nc1 19259156 IBLRITIODJQEPY-UHFFFAOYSA-N 239.322 2.625 0 40 BFAB CC(C)NC(=O)c1ccccc1-n1cccc1 20744477 SZPQCTCUFBXLSE-UHFFFAOYSA-N 228.295 2.616 0 40 BFAB FC(F)(F)c1ccc([C@]23CNC[C@H]2C3)cc1 27551229 IWDGZABFNGRZPF-MNOVXSKESA-N 227.229 2.566 0 40 BFAB COC(=O)/C=C\c1cccc(C(F)(F)F)c1 33823032 ZQAIZQSBGPNEEN-WAYWQWQTSA-N 230.185 2.892 0 40 BFAB Cc1ccc(NC(=O)c2ccc(F)c(F)c2)cn1 34279515 FZUWJYYLDIKCHR-UHFFFAOYSA-N 248.232 2.921 0 40 BFAB COc1cccc(C[C@H]2CCCCC2=O)c1 34386461 KFTYDTJYPQAGHY-GFCCVEGCSA-N 218.296 2.997 0 40 BFAB CS[C@H](C)C(=O)NCc1ccc(Cl)s1 36398261 WFEZTLLOSSBGSW-ZCFIWIBFSA-N 249.788 2.769 0 40 BFAB CC(C)NC(=O)CCc1ccccc1Cl 36398417 KHQLGJKBFAACGM-UHFFFAOYSA-N 225.719 2.797 0 40 BFAB Cc1cc(Br)cc2nn(C)cc12 36533460 DRTRRQQZZKOGEX-UHFFFAOYSA-N 225.089 2.644 0 40 BFAB CC(C)COc1ccc(C(C)(C)CN)cc1 37934534 DPBVXGYIBZPQRV-UHFFFAOYSA-N 221.344 2.958 0 40 BFAB in-vitro C[C@H](N)c1ccc(-n2cc(Cl)cn2)c(F)c1 38053628 YJBUNAFIDMMSEF-ZETCQYMHSA-N 239.681 2.685 0 40 BFAB in-vitro CC(=O)c1ccc(C2CCN(C(C)=O)CC2)cc1 39432208 RFNDDQWCBIIVMM-UHFFFAOYSA-N 245.322 2.615 0 40 BFAB CCCn1c(CO)nc2ccc(Cl)cc21 40417508 JHNCGJGCGVHCSY-UHFFFAOYSA-N 224.691 2.592 0 40 BFAB CC(C)C[C@@H](C)N(C)C(=O)Cc1cccc(O)c1 42592636 CPUQJGMJVZUTIH-GFCCVEGCSA-N 249.354 2.828 0 40 BFAB COC(=O)C[C@H]1CCCCN1Cc1ccccc1 42684503 GMACJDSFVJXSTG-CQSZACIVSA-N 247.338 2.604 0 40 BFAB CCc1cc(Cl)ccc1O[C@@H]1CCNC1 42775239 FGJNXFWKXNYRGM-LLVKDONJSA-N 225.719 2.643 0 40 BFAB Fc1cc(C2OCCO2)ccc1Cl 44228370 SMDSKJJIKYOAGW-UHFFFAOYSA-N 202.612 2.525 0 40 BFAB C[C@@H](C1CC1)N(C)Cc1nnc(-c2ccco2)o1 44907015 GDUVNPLVKHLVET-VIFPVBQESA-N 247.298 2.560 0 40 BFAB c1ccc(COc2ccc3c(c2)CNCC3)cc1 52095220 PTJGGNFFJMNHPL-UHFFFAOYSA-N 239.318 2.911 0 40 BFAB COC(=O)[C@@H](C)c1cnc2ccccc2c1 52232753 KQOSNSIBEYFGKI-VIFPVBQESA-N 215.252 2.511 0 40 BFAB COc1ccccc1CN[C@H]1CCC[C@H](OC)C1 70325366 YUYUDZNEQHPLKH-KBPBESRZSA-N 249.354 2.742 0 40 BFAB Cc1ncsc1C(=O)OCc1ccccc1 71817214 PSYXAOFEMDFWII-UHFFFAOYSA-N 233.292 2.809 0 40 BFAB CC(C)(C)OC(=O)N1C(=O)[C@H]2CCCCC[C@H]21 72481876 MUIUKXFMPJXMCU-VHSXEESVSA-N 239.315 2.713 0 40 BFAB Cc1c(-c2nc(-c3ccsc3)no2)cnn1C 78773691 ZVCFNTJRXVIQGK-UHFFFAOYSA-N 246.295 2.507 0 40 BFAB CCOC(=O)[C@H](C)C(=O)c1cc(C)ccc1C 85396797 OXSJDKPWRAJQJJ-LLVKDONJSA-N 234.295 2.685 0 40 BFAB CC(C)C1CCC([C@H](F)C(=O)O)CC1 88157696 XRFFYTGXEUYZER-RTBKNWGFSA-N 202.269 2.872 0 40 BFAB CCc1nnc([C@H](C)N[C@@H]2CCCC[C@@H]2C)o1 89296210 DCAJHUPVPJKRRP-GARJFASQSA-N 237.347 2.861 0 40 BFAB CCOc1cc(C(=O)C(F)(F)F)ccc1OC 95731946 SWZSLOCUBNQTHZ-UHFFFAOYSA-N 248.200 2.839 0 40 BFAB Cc1cc(CN2CC[C@@H]3O[C@@H](C)C[C@H]3C2)oc1C 96045920 SLYWROPZOGGCPX-WHOFXGATSA-N 249.354 2.896 0 40 BFAB Clc1nccn2nc3c(c12)CCCCC3 96516369 NKJGKHIBZKGSRZ-UHFFFAOYSA-N 221.691 2.652 0 40 BFAB CC(C)CN(C(=O)Cc1cccs1)C1CC1 97138584 UJHGKTDNQHMMJJ-UHFFFAOYSA-N 237.368 2.938 0 40 BFAB CCc1nccn1Cc1cc(F)cc(F)c1 97918808 UMWBDFUEMJDQRS-UHFFFAOYSA-N 222.238 2.772 0 40 BFAB Cn1nccc1CN[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 101925386 IYLQFEAFRDFFHQ-UXIGCNINSA-N 247.386 2.725 0 40 BFAB CCC[C@H](Nc1cnn(C)c1)c1cccnc1 157303673 CZHPJQRTUARUBG-ZDUSSCGKSA-N 230.315 2.768 0 40 BFAB O=C1CCNc2c(F)ccc(Br)c21 169805260 URLOFSHBZBITFE-UHFFFAOYSA-N 244.063 2.587 0 40 BFAB O[C@]1(C(F)(F)F)CCc2cccc(F)c21 221693629 FIFYVMJQIMNOJF-SECBINFHSA-N 220.165 2.522 0 40 BFAB S=C(Nc1ccncc1)N[C@H]1C[C@@H]2CC[C@@H]1C2 225325068 XWNMYFCNWPYUGI-FOGDFJRCSA-N 247.367 2.557 0 40 BFAB C[C@@H]1C[C@@H](NC(=O)[C@H]2C[C@@H]2C)CC(C)(C)C1 225585226 HCNCEEAFXADKPJ-KXNHARMFSA-N 223.360 2.973 0 40 BFAB CCOC(=O)CCc1c[nH]c2ccc(F)cc12 575449145 JBFWRNGBYNWXND-UHFFFAOYSA-N 235.258 2.803 0 40 BFAB Cc1nsc(-c2ccccc2N(C)C)n1 649426087 RXJDRUKUYBRKOS-UHFFFAOYSA-N 219.313 2.580 0 40 BFAB CC(C)(C)c1ccn(C2CCCC2)c(=O)n1 664042185 AMQCBNMDFNATEK-UHFFFAOYSA-N 220.316 2.656 0 40 BFAB Cc1[nH]c2cccnc2c1Br 953046048 PTQHGQXMXBOBQU-UHFFFAOYSA-N 211.062 2.634 0 40 BFAB Cc1cccc(NC(=O)c2cnoc2C)c1C 385195 NSPRJHSAWRIKRT-UHFFFAOYSA-N 230.267 2.852 0 40 BFAB Cc1cc(-c2nc3ncccc3o2)ccc1N 529598 XBBSNWDUAULUOZ-UHFFFAOYSA-N 225.251 2.780 0 40 BFAB aggregator CC(C)c1ccc(C(=O)C(C)(C)O)cc1 2575435 QPXVRLXJHPTCPW-UHFFFAOYSA-N 206.285 2.764 0 40 BFAB Cc1[nH]c2c(Cl)cccc2c1CC(=O)O 3748621 OAQUVRVTNMDKGG-UHFFFAOYSA-N 223.659 2.757 0 40 BFAB in-vitro CCC(=O)OCC(=O)[C@@]1(C)CC[C@H](C)C1(C)C 3846174 RQELJROWWRKCPP-IINYFYTJSA-N 240.343 2.971 0 40 BFAB biogenic Clc1nnc2oc3ccccc3cc1-2 3850782 NPHMRTWRHQKFIO-UHFFFAOYSA-N 204.616 2.981 0 40 BFAB biogenic Cc1cc2cc(CNC(=O)C3CC3)ccc2n1C 4057696 MDYBDMINLUNLIA-UHFFFAOYSA-N 242.322 2.513 0 40 BFAB O=C(O)c1ccn2cc(-c3cccs3)nc2c1 8016054 GADSFCKWGFNWIM-UHFFFAOYSA-N 244.275 2.761 0 40 BFAB Nc1c(Cl)cc(Cl)c2nsnc12 12341457 BHDCZIZWPKHDHA-UHFFFAOYSA-N 220.084 2.580 0 40 BFAB in-vitro CC[C@@H](C)NC(=O)c1cn(C)c2ccccc12 12545119 KWKJHZWFYPVFNI-SNVBAGLBSA-N 230.311 2.707 0 40 BFAB C[C@@H](NC(=O)c1ccc(F)cc1)c1ccccn1 12545334 XBQZKVCYMCJALN-SNVBAGLBSA-N 244.269 2.712 0 40 BFAB C[C@H]1CC=C(c2ccccc2)C(=S)N1 13686474 UJEYHIWKFIXAEE-VIFPVBQESA-N 203.310 2.779 0 40 BFAB Fc1ccc(OCC[C@@H]2CCCNC2)cc1 14632367 KIRUVZYDYPXBHS-NSHDSACASA-N 223.291 2.594 0 40 BFAB COc1ccc2nc(C)cc(N(C)C)c2c1 19118884 PHJICLSGLHQANW-UHFFFAOYSA-N 216.284 2.618 0 40 BFAB CCCOc1ccc(CNC(C)C)cc1OC 20931212 FNQGQVNKFZTTCF-UHFFFAOYSA-N 237.343 2.982 0 40 BFAB Nc1cnccc1C(=O)Nc1ccc(Cl)cc1 22073267 GHVOQHCROHSCDB-UHFFFAOYSA-N 247.685 2.570 0 40 BFAB CCCn1cnc2c(N)nc3ccccc3c21 28475785 OWBUYSQOBLYANO-UHFFFAOYSA-N 226.283 2.577 0 40 BFAB CC1=C(c2ccccc2)[N+](=O)C(C)(C)N1O 33342993 MAOJMKKCFFUXDU-UHFFFAOYSA-N 219.264 2.595 0 40 BFAB Cc1cc2ncn([C@@H](C)CC(=O)O)c2cc1C 35741157 PXDPLWVNVVSVAZ-JTQLQIEISA-N 232.283 2.689 0 40 BFAB COC(=O)CCSc1ccc(N)cc1Cl 36336298 KLWYPOIPLDDYCG-UHFFFAOYSA-N 245.731 2.577 0 40 BFAB c1ccc(-c2c[nH]c([C@H]3CCCNC3)n2)cc1 36876502 CJTNKQZBZFDTLC-LBPRGKRZSA-N 227.311 2.544 0 40 BFAB O=C(c1ccoc1)N1CCC[C@H](C(F)(F)F)C1 40480989 VHMFDHKEXYWMSB-VIFPVBQESA-N 247.216 2.694 0 40 BFAB CCN(CC)C(=O)c1ccc(C(F)(F)F)nc1 40489142 MFUCTBBKOZLDMQ-UHFFFAOYSA-N 246.232 2.582 0 40 BFAB Fc1ccc(NCc2ccccc2)nc1 41045304 VOOLQWLMUCPCGZ-UHFFFAOYSA-N 202.232 2.833 0 40 BFAB CCc1cc(N)n(-c2ccc(Cl)cc2)n1 41239250 UWUUFQBJSFHOEP-UHFFFAOYSA-N 221.691 2.670 0 40 BFAB Nc1ccc2nc(C(F)(F)F)sc2c1 45237528 IMHDJHRTSKWDKO-UHFFFAOYSA-N 218.203 2.897 0 40 BFAB CCC(CC)NC[C@@H](C)C(=O)OC(C)(C)C 47219018 HWWFAJKUNKFCSR-SNVBAGLBSA-N 229.364 2.742 0 40 BFAB C1CCCN(CC[C@H]2CCCNC2)CCC1 51918919 VGOZZZSXSRMHAG-CQSZACIVSA-N 224.392 2.642 0 40 BFAB CC(C)Nc1ncc(CNC2CCCCC2)cn1 62717596 UTGBTTSLUJGWBO-UHFFFAOYSA-N 248.374 2.719 0 40 BFAB CCOC(=O)c1ncsc1NC(C)(C)C 70586369 DWIWSYRIKASWRO-UHFFFAOYSA-N 228.317 2.530 0 40 BFAB in-vitro CC(=O)N1CCCC[C@@H]1c1ccc[nH]c1=S 72217095 BHMUBCYLARWKDK-LLVKDONJSA-N 236.340 2.818 0 40 BFAB N[C@H](c1ccccc1)c1ccc(NC2CC2)nc1 72225707 SVKSCYJSIBETBK-OAHLLOKOSA-N 239.322 2.704 0 40 BFAB C[C@@H]1CN(C(=O)C2CCCC2)C[C@@H](C)S1 80949763 PWKVBMXYNYNRHT-NXEZZACHSA-N 227.373 2.529 0 40 BFAB C[C@H](N)COCc1ccc(C(F)(F)F)cc1 89262684 WLKZPZJUJAPWTB-QMMMGPOBSA-N 233.233 2.569 0 40 BFAB COc1cc(Br)cc(Cl)n1 91301682 YLNPSMOZSNHBDO-UHFFFAOYSA-N 222.469 2.506 0 40 BFAB in-vitro O[C@H](c1cc(F)cc(Cl)c1)c1ccccn1 95727357 GYUSEFFNZJHHGW-GFCCVEGCSA-N 237.661 2.956 0 40 BFAB CCOC(=O)c1c(C)cc(Cl)nc1C 95830103 KSAOHRAUUCSNRU-UHFFFAOYSA-N 213.664 2.529 0 40 BFAB in-vitro Cc1c(N[C@H](C)c2ccsc2)cnn1C 95991770 NLGZQSXYSCYNND-MRVPVSSYSA-N 221.329 2.963 0 40 BFAB C[C@@H](C[C@H]1OC[C@@H](C)O1)c1ccccc1 101619919 JVVKHPVHCMSPGX-LOWVWBTDSA-N 206.285 2.942 0 40 BFAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NCc1cccnc1 104693761 VHTBZDHLUMLMDC-UBHSHLNASA-N 244.338 2.524 0 40 BFAB Cc1cccnc1NC(=O)CCC(F)(F)F 173543651 WPYRYLQCWHABPX-UHFFFAOYSA-N 232.205 2.671 0 40 BFAB Cc1ccc(NC(=O)c2cnc(C)nc2)c(C)c1 222587490 CLOBMRKRCITUNJ-UHFFFAOYSA-N 241.294 2.654 0 40 BFAB Cc1cc(Cl)cnc1NC(=S)NC(C)C 223874229 SNMQMFBLTITEBQ-UHFFFAOYSA-N 243.763 2.738 0 40 BFAB CC(C)[C@H](O)c1cnc2c(c1)CCCC2 252483399 FAUNBFAQZYHMPI-ZDUSSCGKSA-N 205.301 2.650 0 40 BFAB Cc1cccc(CC[C@@H](N)C(F)(F)F)c1 257197684 GLMXOUIBOLKYAR-SNVBAGLBSA-N 217.234 2.817 0 40 BFAB CO[C@H]1c2cc(Cl)ccc2O[C@H]2OCC[C@H]21 257201017 AFVHFFIOKYYENO-XXILOJSOSA-N 240.686 2.783 0 40 BFAB CCOCc1c(Br)cnn1C(C)C 408716049 IJCHKLSGXISVOV-UHFFFAOYSA-N 247.136 2.763 0 40 BFAB Cc1nc(OC[C@H]2CCCOC2)sc1C 585651497 DIGYQKMDNGIFAF-JTQLQIEISA-N 227.329 2.565 0 40 BFAB CCC(=O)Nc1nnc(C2CCCCC2)s1 311350 RAONVLGICAYJJY-UHFFFAOYSA-N 239.344 2.934 0 40 BFAB Cc1[nH]c(=O)sc1CC(Cl)(Cl)Cl 497253 CWNBVLRGHUBVLF-UHFFFAOYSA-N 246.546 2.658 0 40 BFAB C[C@H](CC(=O)Nc1nncs1)c1ccccc1 804765 WTGIKFBKHNYLOG-SECBINFHSA-N 247.323 2.670 0 40 BFAB c1ccc2[nH]c([C@H]3CCCCN3)cc2c1 1703729 BNKHEDZUOBHGMW-GFCCVEGCSA-N 200.285 2.983 0 40 BFAB in-vitro O=C1CCCC[C@H]1CNCc1ccccc1 1706449 QTNPYGCHZJXIBI-ZDUSSCGKSA-N 217.312 2.536 0 40 BFAB CC[C@H](COC(=O)c1ccccc1)NC(C)C 1997738 NCISLVIYBANXGH-CYBMUJFWSA-N 235.327 2.620 0 40 BFAB CC[C@H](C)N1CCN(c2ccccc2OC)CC1 5846383 NVCSFEBABPLCIT-ZDUSSCGKSA-N 248.370 2.616 0 40 BFAB CCCc1nnc(S)n1-c1cccc(OC)c1 6391530 LMUHDAAFIBAODF-UHFFFAOYSA-N 249.339 2.517 0 40 BFAB CCc1n[nH]c(=S)n1NCc1ccccc1C 8339401 XMXPJFLGWXLIEQ-UHFFFAOYSA-N 248.355 2.555 0 40 BFAB Cc1ccccc1C(=O)n1nc(C)c(C)c1C 10155519 GJCFPSMFORGIPD-UHFFFAOYSA-N 228.295 2.805 0 40 BFAB Cc1ccc(C(C)C)c(OCCC(=O)O)c1 11885940 CHIVRVVKOCCNME-UHFFFAOYSA-N 222.284 2.972 0 40 BFAB in-vitro COCc1cccc(C(=O)NC2CCCCC2)c1 12872735 HJSLJIYMZMQDAN-UHFFFAOYSA-N 247.338 2.896 0 40 BFAB CC[C@H](C)NC(=O)c1ccc(Cl)s1 12881484 LSPXAQVEWZZJNT-LURJTMIESA-N 217.721 2.930 0 40 BFAB CCCCCC(=O)c1c(O)cc(O)cc1O 13521031 RGMMTOZHCJCZRW-UHFFFAOYSA-N 224.256 2.566 0 40 BFAB Fc1ccccc1CNc1ccccn1 19772612 VWKIZQAFPKDJDQ-UHFFFAOYSA-N 202.232 2.833 0 40 BFAB Cc1cc(C)n(-c2ccc([C@@H](C)N)cc2)n1 19872892 ZNGYUSHPBQKISP-LLVKDONJSA-N 215.300 2.509 0 40 BFAB in-vitro CCc1ccc(-c2nn3c(C)nnc3s2)cc1 20609837 JGVHZGGIXBVMLV-UHFFFAOYSA-N 244.323 2.724 0 40 BFAB Cc1ccccc1[C@H](CN)N1CCC[C@@H](C)C1 22172743 WDJXNZUPDHCAGE-DOMZBBRYSA-N 232.371 2.727 0 40 BFAB COc1ccccc1NC(=O)N(C)[C@H](C)C1CC1 25511695 IOFVOEWBTHUHFU-SNVBAGLBSA-N 248.326 2.957 0 40 BFAB O=C(NCC1CC1)c1sccc1-n1cccc1 25574777 CBKWSPYMKPEFKV-UHFFFAOYSA-N 246.335 2.679 0 40 BFAB CCCc1cc(C(=O)N2CCCC[C@H]2CC)[nH]n1 29506145 YVOPTNRRFRASRI-GFCCVEGCSA-N 249.358 2.767 0 40 BFAB CCN(C(=O)[C@H](N)CC(C)C)C1CCCCC1 35220766 ISGNKPPDWVUVDE-CYBMUJFWSA-N 240.391 2.541 0 40 BFAB C[C@H](NC(=O)Cc1cccs1)c1ccco1 37114790 JPTKXLATEVYWSK-VIFPVBQESA-N 235.308 2.761 0 40 BFAB O=C(CNc1ccccc1)N1CCCCCCC1 37389963 WGQAHOZHQUTXAH-UHFFFAOYSA-N 246.354 2.891 0 40 BFAB Cc1cc(C)c(NC(=O)CNCC2CC2)c(C)c1 37611662 YPROTURIXQFWSU-UHFFFAOYSA-N 246.354 2.550 0 40 BFAB CC(C)Oc1ccc2cc(C(=O)O)oc2c1 72219717 QFCKRCGJQFESPD-UHFFFAOYSA-N 220.224 2.918 0 40 BFAB COCCN1CCc2sccc2[C@@H]1C1CC1 72350993 JDWAELZTSBCRGH-ZDUSSCGKSA-N 237.368 2.704 0 40 BFAB Fc1cccc2[nH]cc(C3=CCNCC3)c12 72482168 QINBIWHOHAQHPS-UHFFFAOYSA-N 216.259 2.684 0 40 BFAB O=C(NC1CCCC1)c1cnc2ccccc2c1 74715290 AIEMKYFQXDANPK-UHFFFAOYSA-N 240.306 2.907 0 40 BFAB CC[C@H]1CCCN(C(=O)[C@H]2CCCS2)C1 89948292 JLMMBFMKXYIXQH-WDEREUQCSA-N 227.373 2.531 0 40 BFAB C[C@H](CNC[C@H]1CCC[C@@H](C)C1)C[C@@H](C)O 92566241 UFEFJKVUUPTTKU-RQJABVFESA-N 227.392 2.809 0 40 BFAB COC(=O)c1cnn(C2CCCC2)c1C(F)F 95097679 JGIZSPVBPMEJJS-UHFFFAOYSA-N 244.241 2.722 0 40 BFAB COc1ccccc1C(=O)C(F)(F)Cl 95917141 XRWUOGMQHXUQCV-UHFFFAOYSA-N 220.602 2.710 0 40 BFAB COCCCCOc1cc(C)nc(C)c1 97098197 VZEVEXAWNSXIJP-UHFFFAOYSA-N 209.289 2.504 0 40 BFAB Clc1ccc(-c2cn3ccnnc3n2)s1 105962706 YUJODSXQHOQQGG-UHFFFAOYSA-N 236.687 2.506 0 40 BFAB C[C@H]1CN(Cc2cccc(Cl)c2)[C@@H](C)CO1 109022657 UEEJOQPFVHHBPB-QWRGUYRKSA-N 239.746 2.949 0 40 BFAB Cc1ccc(C[C@H](NN)c2ccccc2)cc1 147175186 BUHWBIOWPODXDV-HNNXBMFYSA-N 226.323 2.742 0 40 BFAB OC[C@H]1Nc2ccccc2C12CCCCC2 218698998 FBNNAWTUWQGTSY-CYBMUJFWSA-N 217.312 2.675 0 40 BFAB CC1(C)C[C@@H](CC(=O)O)CC(F)(F)C1 220000380 UOBDLSVHSWEKEC-SSDOTTSWSA-N 206.232 2.923 0 40 BFAB CCCO[C@@H](Cc1ccccc1CC)C(=O)O 225041618 ORYBVONNPPAXBE-ZDUSSCGKSA-N 236.311 2.671 0 40 BFAB Cc1ccccc1O[C@@H](C)C(=O)N[C@H](C)C(C)C 225215965 GFRUDCUOOLTPKB-OLZOCXBDSA-N 249.354 2.923 0 40 BFAB COc1cccc(N(C)C(=O)c2ccoc2C)c1 225868760 JTWDIJQKWNMGDI-UHFFFAOYSA-N 245.278 2.873 0 40 BFAB Cc1cccn1Cc1ccc(C(=O)O)cc1 226032279 YJLBKVHAUFEPPK-UHFFFAOYSA-N 215.252 2.543 0 40 BFAB Cc1ccc([C@H](O)c2ccc(N)cc2)c(C)c1 226292822 TWUDCYUKADQFGR-OAHLLOKOSA-N 227.307 2.967 0 40 BFAB Cc1ccncc1CN(C)CCSC(C)C 252492758 MVELAGBUEDNGGQ-UHFFFAOYSA-N 238.400 2.963 0 40 BFAB CC(C)CC(=O)c1ccc(F)c(C#N)c1 379778622 BFOZYDQUCBLSKD-UHFFFAOYSA-N 205.232 2.926 0 40 BFAB Fc1cc(Cl)cnc1OC[C@H]1CCCOC1 585652125 WKCBYSSEGWLGOU-QMMMGPOBSA-N 245.681 2.680 0 40 BFAB Fc1ccc2ncoc2c1OC(F)(F)F 604221668 PQSYSGLXPDPGBW-UHFFFAOYSA-N 221.109 2.866 0 40 BFAB CCOc1cnc2cccc(C)c2c1C(=O)O 685937728 YJHPUZDMVPYJFR-UHFFFAOYSA-N 231.251 2.640 0 40 BFAB CC(C)(CNC(=O)CC1CC1)c1ccsc1 1850162964 VPFVOSONWIGYLI-UHFFFAOYSA-N 237.368 2.942 0 40 BFAB Cc1nc(C2CC2)nc(N2CCSCC2)c1C 1888844516 CWXBFWXLGFFZSB-UHFFFAOYSA-N 249.383 2.524 0 40 BFAB Cc1ccccc1NC(=O)c1ncnc(C)c1C 1888854003 RCEYZPLOYHFZKV-UHFFFAOYSA-N 241.294 2.654 0 40 BFAB COc1c(C)cccc1C(=O)Nc1nccs1 62947 SSVODCKUPZTCRC-UHFFFAOYSA-N 248.307 2.712 0 40 BFAB CC1=CC[C@H]2CO[C@@H](CN3CCCCC3)[C@@H]1C2 518650 JFVBLVUPDVJWIA-KFWWJZLASA-N 235.371 2.844 0 40 BFAB biogenic CC1=Nn2c(nnc2C2CCCCC2)SC1 530096 MHRYLMWIBKZLRT-UHFFFAOYSA-N 236.344 2.656 0 40 BFAB CCN(CC)c1ccc(C(=O)NCC(C)C)cc1 1097938 MXXXAWQHSKXSEC-UHFFFAOYSA-N 248.370 2.919 0 40 BFAB Cc1ccccc1NC(=O)CN1CCCC[C@@H]1C 1684133 MIUZLXCFVKDORO-ZDUSSCGKSA-N 246.354 2.808 0 40 BFAB Nc1ccccc1-n1cnc2ccccc21 2538825 VVRSJOPEQZUTBU-UHFFFAOYSA-N 209.252 2.608 0 40 BFAB Cc1ccc2c(c1)nnn2CNc1ccccc1 3161208 BDKVJDQHYRDZBJ-UHFFFAOYSA-N 238.294 2.809 0 40 BFAB CC(=O)CCc1ccc2oc(C(=O)O)c(C)c2c1 3272771 PYHSYRSHFJFFRS-UHFFFAOYSA-N 246.262 2.961 0 40 BFAB CCCC(=O)OCCCC[C@H]1CCCO1 5523330 FGLPPRYMBOPADQ-NSHDSACASA-N 214.305 2.679 0 40 BFAB Cc1ccc(NC(=O)c2ccoc2)c(F)c1 16261100 NSZURPDIZGQKQZ-UHFFFAOYSA-N 219.215 2.979 0 40 BFAB CCNC(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 19075273 RIUOKZLPBODRHT-ZWNOBZJWSA-N 224.348 2.617 0 40 BFAB Cc1ccc(C(=O)c2ccncc2)cc1C 22121775 VSKRYFHKIGQHRM-UHFFFAOYSA-N 211.264 2.929 0 40 BFAB C[C@H](Sc1ncn[nH]1)c1ccccc1 30831863 XAXUPNZFMUWXOW-QMMMGPOBSA-N 205.286 2.658 0 40 BFAB Cc1cc(O)ccc1C(=O)c1ccccc1 39332502 XPCXDJJTFCXJIU-UHFFFAOYSA-N 212.248 2.932 0 40 BFAB Cc1noc([C@@H](C)Sc2ccccn2)n1 40051847 FQBSHSTWIRKLDF-SSDOTTSWSA-N 221.285 2.626 0 40 BFAB Cc1ccc(C(=O)c2ccc(F)cc2F)nc1 45028565 UWGJUXPAXBOJHH-UHFFFAOYSA-N 233.217 2.899 0 40 BFAB Clc1ncccc1-c1nc(C2CC2)no1 45893941 ZIPVAPWNHHGIKN-UHFFFAOYSA-N 221.647 2.662 0 40 BFAB CCCCOCc1cc(C(=O)O)ccc1OC 50131815 QELVOQQQXBJCJB-UHFFFAOYSA-N 238.283 2.710 0 40 BFAB CN(c1ccc(N)cc1C(=O)O)C1CCCCC1 58013982 WRFFXVBNBAGESM-UHFFFAOYSA-N 248.326 2.736 0 40 BFAB CNC(=O)CS[C@@H](C)c1c(F)cccc1F 59831765 MUOGEWHSRBZYRY-ZETCQYMHSA-N 245.294 2.505 0 40 BFAB CO[C@H](CN)c1ccc(Cl)c(Cl)c1 62711403 VBEUUFVYIZOKCH-SECBINFHSA-N 220.099 2.640 0 40 BFAB CCCCn1c(CN)nc2cc(Cl)ccc21 64874479 CGRRIVOCPADMKM-UHFFFAOYSA-N 237.734 2.949 0 40 BFAB OCc1cc(/C=C/c2ccccc2)ccn1 65528429 QHRNPKHHORVSOL-VOTSOKGWSA-N 211.264 2.744 0 40 BFAB Cc1cnn([C@H](C)[C@@H](C)NCc2cccs2)c1 69493155 OSLWIWBLUSZKHM-VXGBXAGGSA-N 249.383 2.992 0 40 BFAB Cc1ccn(CCCc2ccccc2)c(=O)c1 71513644 ORWDTITYWQQFKC-UHFFFAOYSA-N 227.307 2.790 0 40 BFAB O=C1c2ccccc2CC[C@@H]1C(F)(F)F 72194631 CBDOEEPTRHUPCK-VIFPVBQESA-N 214.186 2.994 0 40 BFAB CCN1CCCC[C@H]1c1cncc(C)c1 72211357 HXMMWBKVSLHTKL-ZDUSSCGKSA-N 204.317 2.937 0 40 BFAB CC1(C)C[C@]1(CN)c1ccc(F)cc1F 76643422 BIPPFOTUDGOILB-LBPRGKRZSA-N 211.255 2.591 0 40 BFAB OC[C@@H]1CCCN(CC/C=C/c2ccccc2)C1 79438602 BMNZYNIRVJKFRN-VCIFKONDSA-N 245.366 2.794 0 40 BFAB CC[C@@H]1Oc2cc(Br)ccc2[C@H]1N 87015750 UIWMYSLDMCUPGG-WCBMZHEXSA-N 242.116 2.620 0 40 BFAB Cc1nc(C)c(C(=O)N2CC[C@H]3CCCC[C@H]32)o1 89558056 KSPWRNXBSYLLEN-VXGBXAGGSA-N 248.326 2.696 0 40 BFAB CCOC(=O)c1c(C(F)(F)F)csc1N 90464052 XXOJAIFAWOOYMV-UHFFFAOYSA-N 239.218 2.526 0 40 BFAB C[C@H](O)CN[C@H]1CCCSc2ccccc21 95419030 YHHQBRNNEYJXTA-JQWIXIFHSA-N 237.368 2.584 0 40 BFAB COC(=O)c1csc2ccc(F)cc12 95918289 UZTMIFQXLXCIJC-UHFFFAOYSA-N 210.229 2.827 0 40 BFAB OCC[C@H]1CCCN(CCC2CCCC2)C1 96424265 RISWRNXVGFJZGC-CQSZACIVSA-N 225.376 2.661 0 40 BFAB O=C(O)c1ccccc1OCCC1CCC1 96511816 GFHAQILBWDMEPG-UHFFFAOYSA-N 220.268 2.954 0 40 BFAB Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)c1 100404104 NLCGWYVJECREQR-YRGRVCCFSA-N 229.323 2.913 0 40 BFAB CC(C)NC(=S)Nc1c(F)cccc1F 135763260 KDDKXRSTJHTMAC-UHFFFAOYSA-N 230.283 2.660 0 40 BFAB CC[C@@H](C)OC(=O)OCC(F)(F)C(F)F 169795789 BMPQKPYQXJVPAY-RXMQYKEDSA-N 232.173 2.839 0 40 BFAB CCN(CCCC(=O)O)c1ccc(C)c(C)c1 224983924 VSDVCJYWQCLVLV-UHFFFAOYSA-N 235.327 2.995 0 40 BFAB Cc1nc([C@@H]2CCN(C(C)C)C2)c2sccn12 257287950 PSESOMSGLPJHRU-LLVKDONJSA-N 249.383 2.902 0 40 BFAB O=C(c1ccc(Cl)cc1)N1CC(C(F)F)C1 585391490 MWBQQMYAUZPCDH-UHFFFAOYSA-N 245.656 2.677 0 40 BFAB c1csc(NC[C@]23CCC[C@H]2OCC3)n1 687469647 VWOCPVFWEAMLKY-MWLCHTKSSA-N 224.329 2.514 0 40 BFAB Cc1ncnc(-n2c(C)nc3ccccc32)c1C 1775968117 JNAOLCXSBACOOH-UHFFFAOYSA-N 238.294 2.741 0 40 BFAB CCN1C(=O)S/C(=C\c2ccc(C)o2)C1=O 1129601 XWVNHIHGXYPPGN-TWGQIWQCSA-N 237.280 2.644 0 40 BFAB Cc1ccc(-c2nc3cccnc3[nH]2)cc1N 1428754 DMXMSTHLCNTNOM-UHFFFAOYSA-N 224.267 2.516 0 40 BFAB CC[C@H](C)n1c(C)cc(=O)n1[C@@H](C)CC 1710354 RBKMMZIPXVUYCG-UWVGGRQHSA-N 210.321 2.900 0 40 BFAB O=C(Nc1ccc(F)cc1)OC[C@@H]1CCCO1 2034951 BUABTSPHNJUVLJ-NSHDSACASA-N 239.246 2.553 0 40 BFAB CCCCC[C@@H]1C[C@@H](O)C=C(C)[C@@H]1C(=O)OC 3995540 WQGFGVARUZYEFH-AGIUHOORSA-N 240.343 2.683 0 40 BFAB biogenic Cc1cc(C)c(-c2cc(N)n[nH]2)c(C)c1 5593843 UCWTYVPNSZIIOP-UHFFFAOYSA-N 201.273 2.584 0 40 BFAB CC[C@H](C)NC(=O)/C=C/c1ccc(F)cc1 6120815 KOOJCJQGKBMPMJ-ZKXNXJMVSA-N 221.275 2.754 0 40 BFAB CCN(CC)Cc1nnc(-c2ccccc2)o1 6760326 MCOFZTWKUXYABC-UHFFFAOYSA-N 231.299 2.578 0 40 BFAB CCNC(=S)Nc1ccc(CC)cc1 7529070 XKQWQPONALIYOQ-UHFFFAOYSA-N 208.330 2.555 0 40 BFAB CC(C)(Nc1cccc(C(F)(F)F)c1)C(=O)O 8702851 VGESPPXUONHNCF-UHFFFAOYSA-N 247.216 2.981 0 40 BFAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)O 8729625 GXKLQYARFWXBJC-SNVBAGLBSA-N 208.257 2.545 0 40 BFAB Cc1ccc(C(C)C)cc1O[C@H]1CCNC1 14632144 QIELTUOXKSCGLK-ZDUSSCGKSA-N 219.328 2.859 0 40 BFAB in-vitro O=Cc1cc2cccc(C(F)(F)F)c2[nH]1 16941616 LOKMFTVQOFAWJS-UHFFFAOYSA-N 213.158 2.999 0 40 BFAB CN(C)[C@H](CN)c1ccc(Cl)cc1Cl 19255034 XGPRWFUASSGHKS-SNVBAGLBSA-N 233.142 2.555 0 40 BFAB NCCCCCCN1CCCCCCC1 20266234 AMBZJXQXEOJIRQ-UHFFFAOYSA-N 212.381 2.772 0 40 BFAB CCc1ccc(N[C@@H](C)C(=O)NC(C)(C)C)cc1 20314964 QRIRRYASXQSVRK-NSHDSACASA-N 248.370 2.964 0 40 BFAB Cc1ccc(C)c(Oc2ccc(CN)cn2)c1 22222580 SOXVQJKTEITLAB-UHFFFAOYSA-N 228.295 2.949 0 40 BFAB in-vitro Cc1cc(C)nc(NC(=O)CC2CCCC2)n1 32735937 INHZBNKZRNWWTD-UHFFFAOYSA-N 233.315 2.612 0 40 BFAB O=C(O)Cc1nc(-c2ccc(F)cc2)cs1 33465904 CLUFEPMQCVLAFO-UHFFFAOYSA-N 237.255 2.576 0 40 BFAB in-vitro Sc1cccc(CN2CCCCC2)c1 34072310 VROGWKSZUMPPBC-UHFFFAOYSA-N 207.342 2.961 0 40 BFAB Cc1ccc2nc([C@H]3CCCO3)[nH]c2c1 36632827 FFFOUHRGBQPHGH-LLVKDONJSA-N 202.257 2.723 0 40 BFAB Cn1cc(C=O)c(-c2cc3ccccc3o2)n1 36894401 FIJDQZJKNTVBAU-UHFFFAOYSA-N 226.235 2.646 0 40 BFAB in-vitro N[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl 37381629 UDMYMDZSOYJSPZ-VXNVDRBHSA-N 202.084 2.808 0 40 BFAB CC[C@H](C)NC(=O)Cc1cc(C)ccc1C 38753042 JVELOEGQSKMUCG-LBPRGKRZSA-N 219.328 2.761 0 40 BFAB FC(F)(F)c1ncnc(Cl)c1Cl 38844022 OFSXFPPHNGJCLB-UHFFFAOYSA-N 216.977 2.802 0 40 BFAB CC[C@@H](C)C(=O)NCCc1ccc(F)cc1 44895784 JWDRXPHFNXBGCV-SNVBAGLBSA-N 223.291 2.531 0 40 BFAB COc1cc(C(=O)NCc2ccoc2)ccc1C 45784057 ARGVVAUTVBKJMZ-UHFFFAOYSA-N 245.278 2.527 0 40 BFAB CCOc1c(C(=O)O)ccc2ccccc12 49854409 MTIJZLJZAOIUFN-UHFFFAOYSA-N 216.236 2.937 0 40 BFAB C[C@H]1C[C@H](C)CC2(C1)NC(=O)c1ccccc1O2 59488099 MKMMJIMTRNRYJG-QWRGUYRKSA-N 245.322 2.961 0 40 BFAB Cn1cc([C@@H]2CCCN2CC2CCCC2)cn1 69698002 DYRMMDQGUURNPD-AWEZNQCLSA-N 233.359 2.747 0 40 BFAB COc1cccc([C@H](O)c2ccc(C)o2)c1 70168913 SQSLOUJWGTWUFF-ZDUSSCGKSA-N 218.252 2.678 0 40 BFAB CCc1ccc(CNCc2c(C)n[nH]c2C)s1 71819585 ZKMMDURKIKCUMG-UHFFFAOYSA-N 249.383 2.940 0 40 BFAB COc1ccc(C)cc1C(=O)N1CCC(C)CC1 72206454 ZWPDWAOXWQUBEX-UHFFFAOYSA-N 247.338 2.876 0 40 BFAB Cc1cc([C@@H]2CCCN2CC(C)C)cnc1N 72218443 RKBMEDMCIUGQFQ-ZDUSSCGKSA-N 233.359 2.765 0 40 BFAB Cc1nc(SC(C)(C)C)ccc1CN 72224900 KYXMMVLGIKWZEM-UHFFFAOYSA-N 210.346 2.739 0 40 BFAB Cc1cncnc1[C@H]1CCCN(C2CCCC2)C1 72356813 NPNLWQMPTRRSEP-ZDUSSCGKSA-N 245.370 2.907 0 40 BFAB CSc1cc(Br)ccc1C=O 75772009 QIXIWZNICPQRQP-UHFFFAOYSA-N 231.114 2.984 0 40 BFAB in-vitro C[C@H](Sc1ncn[nH]1)c1cccc(F)c1 79820169 OYVBZEALJRQFNQ-ZETCQYMHSA-N 223.276 2.797 0 40 BFAB COC[C@@H]1CCCN1C(=O)C1CCCCCC1 95407225 UEDHNWVKBXCPTF-ZDUSSCGKSA-N 239.359 2.594 0 40 BFAB C[C@H]1CCCN(Cc2ccc(C=O)cc2)C1 95738626 SNIOBGRBIBSYSZ-LBPRGKRZSA-N 217.312 2.731 0 40 BFAB CS[C@H]1CC[C@@H](N(C)C[C@H]2CCCCO2)C1 96441611 FGZKQWBWHRJSSX-UPJWGTAASA-N 243.416 2.771 0 40 BFAB CCn1cc(N[C@@H](C)c2nc(C(C)C)no2)cn1 97139833 AYHVYBDNIGUQIM-VIFPVBQESA-N 249.318 2.583 0 40 BFAB Cc1cc(N(C)C)cc(C)c1NCc1ncc[nH]1 97148777 AEOGSIZUHBIMLY-UHFFFAOYSA-N 244.342 2.705 0 40 BFAB COc1c(Br)ccc(Cl)c1C=O 168383964 CPKGISNAYWZUCE-UHFFFAOYSA-N 249.491 2.924 0 40 BFAB CC(C)[C@H]1C[C@@H](C(=O)O)c2ccccc2N1 217548543 CYALGXBDAAHLKY-ZYHUDNBSSA-N 219.284 2.695 0 40 BFAB CCC(CC)NC(=S)Nc1cccnc1 225801961 XZPAKXJBEQJJFB-UHFFFAOYSA-N 223.345 2.557 0 40 BFAB C[C@H](C1CC1)n1nc(C(=O)O)cc1C(F)(F)F 256051453 JFZLRUZYJTZOMB-RXMQYKEDSA-N 248.204 2.571 0 40 BFAB Nc1ccc2c(c1)ncn2-c1ccccc1 577456 JSQMNGQWESPAOF-UHFFFAOYSA-N 209.252 2.608 0 40 BFAB in-vitro COP(=O)(Cc1ccc(C)cc1)OC 2524676 GLCMITCQPZPVDU-UHFFFAOYSA-N 214.201 2.981 0 40 BFAB CCOc1ccc(CNCC(C)C)cc1 5906466 ZVBYSABMXRGBPX-UHFFFAOYSA-N 207.317 2.831 0 40 BFAB COc1cccc2cc(C=O)c(Cl)nc12 11850785 TWGAHTGLODITOW-UHFFFAOYSA-N 221.643 2.709 0 40 BFAB CC(C)c1cc(CSCCC(=O)O)no1 12398787 GHEZXWRLPKMYMM-UHFFFAOYSA-N 229.301 2.506 0 40 BFAB C[C@H]1C[C@@H](C)CN(C(=O)c2cccs2)C1 12410433 OCECQJAGGNFNJC-AOOOYVTPSA-N 223.341 2.866 0 40 BFAB NC1CCN(c2cccc(C(F)(F)F)c2)CC1 19506428 YMZUGFVQGGTLQG-UHFFFAOYSA-N 244.260 2.633 0 40 BFAB in-vitro CC[C@@H](C)Oc1ccccc1/C=C/C(=O)O 20526606 YUJZBOIWYIYWLF-AAXQSMANSA-N 220.268 2.962 0 40 BFAB in-vitro CCCCNC(=O)N[C@H](C)c1ccc(F)cc1 20538235 CMJYJMMXQXOVMD-SNVBAGLBSA-N 238.306 2.986 0 40 BFAB FC(F)(F)c1cccc([C@H]2CCNC2)c1 26898512 DUYDZGBSZJZIOZ-VIFPVBQESA-N 215.218 2.782 0 40 BFAB in-vitro C[C@H](C(=O)O)c1ccc(C[C@H]2CCC[C@@H]2O)cc1 28218857 SHAHPWSYJFYMRX-GDLCADMTSA-N 248.322 2.578 0 40 BFAB in-vitro CC(=O)Nc1ccc(OC2CCCC2)cc1 30899339 IUWSQBIPROMMON-UHFFFAOYSA-N 219.284 2.966 0 40 BFAB C[C@@H]1C[C@H]1C(=O)Nc1cccc2ncccc12 32750125 JSTKKYQEQZNXOC-MWLCHTKSSA-N 226.279 2.829 0 40 BFAB Cc1ccc(Nc2cccc(C(=O)O)c2)nc1 37453602 SDJXUYBWAFPJMH-UHFFFAOYSA-N 228.251 2.832 0 40 BFAB in-vitro CCNC(=O)[C@@H](CC)Oc1ccccc1Cl 38771496 SENSFNJWGFDBHY-SNVBAGLBSA-N 241.718 2.634 0 40 BFAB COc1ccc(C(=O)N(C)C)c2ccccc12 40472879 KJVFKTYVZBXUOE-UHFFFAOYSA-N 229.279 2.550 0 40 BFAB Cc1ccccc1CNC(=O)CC(F)(F)F 40496683 VAQLTKPPWRDETR-UHFFFAOYSA-N 231.217 2.564 0 40 BFAB CCCc1ccc(OC[C@@H]2CCNC2)cc1 42773331 FQLZCNQGHZAFJJ-CYBMUJFWSA-N 219.328 2.627 0 40 BFAB COc1cc(F)cc(C(=O)C(F)(F)F)c1 43505016 JCHCEKHBSZXGEV-UHFFFAOYSA-N 222.137 2.579 0 40 BFAB CCNC(=O)N1CCC[C@H]1c1cccc(F)c1 49241802 DHFWDKCXVISMBJ-LBPRGKRZSA-N 236.290 2.692 0 40 BFAB CCN(CC)C(=O)[C@H](C)Oc1ccccc1C 59369380 JRERIYLPCXITLO-LBPRGKRZSA-N 235.327 2.631 0 40 BFAB CNC(=O)c1ccc(-c2ccc(F)cc2)cc1F 69564232 RCJFPBKAVNJHOS-UHFFFAOYSA-N 247.244 2.991 0 40 BFAB C[C@H](NCCc1ccccc1)[C@@H](C)n1cccn1 69967306 OPPUIAAYSRLHFZ-UONOGXRCSA-N 243.354 2.665 0 40 BFAB C[C@H]1C[C@H](NCCCOc2ccccc2)CCO1 70361233 TZAVAFGXUPNSNZ-UONOGXRCSA-N 249.354 2.613 0 40 BFAB COc1cccc(CN[C@@H]2CC[C@@H](C)C2)c1 70761570 IDNIIWVAZCZVDD-DGCLKSJQSA-N 219.328 2.973 0 40 BFAB c1ccc2c(C[C@@H]3CCCNC3)cncc2c1 72367576 HLHHCXMZKSNLQI-LBPRGKRZSA-N 226.323 2.777 0 40 BFAB C[C@@H]1CCCN(Cc2cc(F)ccc2C=O)C1 95738685 VIPFRMZPZSPAMR-LLVKDONJSA-N 235.302 2.870 0 40 BFAB Fc1ccc(S)c(COC[C@@H]2CCCO2)c1 95738859 SGDHTFAJEMCXCE-NSHDSACASA-N 242.315 2.810 0 40 BFAB CCNCc1c(C)[nH]c2ccc(OCC)cc12 223762185 ZTWKNRVTIWXWTB-UHFFFAOYSA-N 232.327 2.985 0 40 BFAB COc1ccc(CCC(=O)NCC(C)C)cc1C 224545227 WXVQOWYWTVZQON-UHFFFAOYSA-N 249.354 2.708 0 40 BFAB CCOc1ccccc1-c1nc(SCC)n[nH]1 408527455 NYMJGWZMLGMBAK-UHFFFAOYSA-N 249.339 2.982 0 40 BFAB OCc1cc(C(F)(F)F)nc2cccc(F)c12 685937714 XPHRJBLCIRHOMP-UHFFFAOYSA-N 245.175 2.885 0 40 BFAB COc1ccccc1CC(=O)N(C(C)C)C(C)C 312197 DSXDMOWJEPOVAU-UHFFFAOYSA-N 249.354 2.883 0 40 BFAB Cc1ccc(C(=O)[C@@H]2CN3CCC2CC3)cc1 541931 UMVKXFHKMGJHBA-CQSZACIVSA-N 229.323 2.520 0 40 BFAB O=C1Nc2ccccc2[C@@H]2CCCC[C@@H]12 1579166 IZYIINICADMQJQ-GXSJLCMTSA-N 201.269 2.913 0 40 BFAB CCCCCOc1ccc(CCO)cc1 1695493 BGECGLYCRBBUMB-UHFFFAOYSA-N 208.301 2.790 0 40 BFAB N[C@H](C[C@@H](O)c1ccccc1)c1ccccc1 1723151 HQFWJAGMDNUMAK-HUUCEWRRSA-N 227.307 2.810 0 40 BFAB O=C(Nc1ccccc1)[C@H]1CC=CCC1 3111395 IXBVBLXFAJUYKZ-NSHDSACASA-N 201.269 2.981 0 40 BFAB CCOC(=O)c1sc(N[C@@H](C)CC)nc1C 4294215 HDOCOQMXSUHAGL-ZETCQYMHSA-N 242.344 2.839 0 40 BFAB N=C(N)SCc1cc2ccccc2o1 4377662 JYPUOIMPIXJVJY-UHFFFAOYSA-N 206.270 2.559 0 40 BFAB c1ccc(-c2ccc(-c3nn[nH]n3)cc2)cc1 6116746 CMPDXBXNGAEVNY-UHFFFAOYSA-N 222.251 2.534 0 40 BFAB CCCc1n[nH]c(N)c1-c1ccccc1OC 8701450 XOLWLJIAUQBLKA-UHFFFAOYSA-N 231.299 2.620 0 40 BFAB Cc1n(C)c2ccccc2[n+]1Cc1ccccc1 12341606 CNZQQZSGNXBVGY-UHFFFAOYSA-N 237.326 2.823 0 40 BFAB CC(=O)c1c(C)nc(-c2ccco2)nc1S 12505472 OAUJZAAHQCXRAQ-UHFFFAOYSA-N 234.280 2.536 0 40 BFAB in-vitro CC(=O)Nc1cccc(NC(=O)C(C)(C)C)c1C 32753994 UPANMAZIWNBDKR-UHFFFAOYSA-N 248.326 2.938 0 40 BFAB Cc1ccc2nc(C)cc(C(=O)NC3CC3)c2c1 33002049 NVNSFSZFVRMANL-UHFFFAOYSA-N 240.306 2.744 0 40 BFAB NCC1(c2ccc3c(c2)OCO3)CCCCC1 34940529 TWWFGVBNOZIDQX-UHFFFAOYSA-N 233.311 2.576 0 40 BFAB C[C@H](CC(=O)Nc1cn[nH]c1)c1ccccc1 36394414 IBCOJHBJSLAVAD-SNVBAGLBSA-N 229.283 2.542 0 40 BFAB CC(C)Cc1noc(CSc2ccccn2)n1 36397128 QXQFEFHCQGXQMP-UHFFFAOYSA-N 249.339 2.955 0 40 BFAB CCCn1nc(-c2ccccc2)cc1N 40927378 VSGBZVWLICPRFD-UHFFFAOYSA-N 201.273 2.542 0 40 BFAB O=C(NCc1c[nH]c2ccccc12)C1CCCC1 41340946 HOYKCHQOQPMHQW-UHFFFAOYSA-N 242.322 2.974 0 40 BFAB CCCCNC(=O)C1(c2ccccc2)CC1 41510048 MVXNOVQOGIIVCU-UHFFFAOYSA-N 217.312 2.635 0 40 BFAB C[C@@H](NC(=O)CC(F)(F)F)c1ccc(F)cc1 43071826 FJIMPMHUVNUZRD-SSDOTTSWSA-N 249.207 2.955 0 40 BFAB CCCCCNC[C@H](C)C(=O)OC(C)(C)C 47219065 QIBFKKZOICXVKM-NSHDSACASA-N 229.364 2.744 0 40 BFAB Nc1nc2ccc(F)cc2n1-c1ccccc1F 52122857 ZYNNSJCFRXHOBR-UHFFFAOYSA-N 245.232 2.886 0 40 BFAB in-vitro Cc1ccccc1OC[C@@H](C)NC(=O)C(C)(C)C 55693213 YKOVXMMLCHKZIH-GFCCVEGCSA-N 249.354 2.925 0 40 BFAB CCCCC1C(=O)OC2(CCCCC2)OC1=O 59488105 XVRJYTQDCRNACP-UHFFFAOYSA-N 240.299 2.553 0 40 BFAB CC[C@H](SC)c1ccc(C(=O)O)o1 62702061 VBDQRVQXVHQFHK-QMMMGPOBSA-N 200.259 2.792 0 40 BFAB CC[C@@H](COC)N[C@@H](C)C1CCCCC1 70656770 BOIHZOOPSADPLT-AAEUAGOBSA-N 213.365 2.970 0 40 BFAB Cc1cc(C(F)(F)F)nc(Cl)c1C(=O)O 84233992 VEGIXBMUAMZHAQ-UHFFFAOYSA-N 239.580 2.760 0 40 BFAB CCOC(=O)[C@H](CC)Sc1ccncc1 87110007 CJFBHMCCFPDPGD-JTQLQIEISA-N 225.313 2.515 0 40 BFAB Clc1nc2ccccc2n2cncc12 95883707 UFFBCELPRQKXDZ-UHFFFAOYSA-N 203.632 2.536 0 40 BFAB in-vitro C[C@H](NCC(F)(F)F)[C@@H]1COc2ccccc21 97112624 WLMHYKNGEVSKHK-WPRPVWTQSA-N 245.244 2.703 0 40 BFAB CN(C(=O)[C@@H]1C[C@H]2C=C[C@H]1C2)C1CCCC1 102208322 DEROZQCKXNRGDE-GMXVVIOVSA-N 219.328 2.600 0 40 BFAB CCO[C@@H]1C[C@H](Nc2ccnc(C)n2)C12CCC2 195531023 MJXJMLWZXKLZPS-NWDGAFQWSA-N 247.342 2.545 0 40 BFAB C[C@@]1(CC(=O)O)CC(C2CCCCC2)=NO1 212549223 DVKHJXNJCBMZJT-LBPRGKRZSA-N 225.288 2.576 0 40 BFAB CSc1ccc(C(=O)CCN(C)C)cc1 238409473 LTIHNVQZACNFDN-UHFFFAOYSA-N 223.341 2.543 0 40 BFAB CSCCC(=O)c1cccc(N(C)C)c1 382673526 GPFBIIDGCWOUPL-UHFFFAOYSA-N 223.341 2.688 0 40 BFAB CC[C@@H](C)C(=O)c1ccccc1N(C)C 382705529 SGTVAMCQHNMOQD-SNVBAGLBSA-N 205.301 2.981 0 40 BFAB C=Cc1ccc(C(=O)CCCC(=O)OC)cc1 575358961 LZBIMSUWAKTZSA-UHFFFAOYSA-N 232.279 2.856 0 40 BFAB CC(=O)c1c(C)cc(Br)cc1O 575624614 MJQYNPXQYOSKAZ-UHFFFAOYSA-N 229.073 2.666 0 40 BFAB O=c1cc(-c2ccccc2)n(-c2ccccc2)cn1 120905 WPMMBTQAGSOBFX-UHFFFAOYSA-N 248.285 2.900 0 40 BFAB CC1(C)C[C@@H](C(=O)NCc2ccccc2)CCO1 521977 LZSJOGHJZABPDJ-ZDUSSCGKSA-N 247.338 2.508 0 40 BFAB O[C@H](C[C@@H](O)c1ccccc1)c1ccccc1 1646489 XHHXJXGIYFQFOQ-HUUCEWRRSA-N 228.291 2.844 0 40 BFAB biogenic,in-vitro O=C(O)CC[C@]1(c2ccccc2)CCCC1=O 2033733 FBUOKAZGLNYOTA-AWEZNQCLSA-N 232.279 2.542 0 40 BFAB CCOc1ncnc2c1[nH]c1ccccc12 2479496 YFNDBQRUAGEFCV-UHFFFAOYSA-N 213.240 2.510 0 40 BFAB CC(C)C(=O)Nc1ccccc1NC(=O)C(C)C 2748665 QUWSSMRWGJXHNU-UHFFFAOYSA-N 248.326 2.876 0 40 BFAB CC1(C)CC(=O)c2c(-c3cccnc3)n[nH]c2C1 4075052 NNWACTABQWBOBT-UHFFFAOYSA-N 241.294 2.627 0 40 BFAB CC[C@H]1CN(Cc2ccccc2)C[C@@]1(C)C(=O)O 4203352 OCPFMYCAURBSJX-DZGCQCFKSA-N 247.338 2.619 0 40 BFAB N=C(Cc1ccccc1Oc1ccccc1)NO 6475697 KOMTVANOSOYTKH-UHFFFAOYSA-N 242.278 2.977 0 40 BFAB CCCCCc1cc(O)cc(O)c1C(=O)O 13339595 SXFKFRRXJUJGSS-UHFFFAOYSA-N 224.256 2.529 0 40 BFAB biogenic,in-vitro O=C(O)c1[nH]c2ccc(F)cc2c1Cl 19770062 XJYRDCVQRZSDJH-UHFFFAOYSA-N 213.595 2.659 0 40 BFAB in-vitro Cc1cc(Cl)c(C=O)c(=O)n1C1CCCC1 19945117 KAVANJIIBBGHIY-UHFFFAOYSA-N 239.702 2.738 0 40 BFAB CSc1ccc(NCc2cnn(C)c2)cc1 20075027 SEQSUVLOIREFLE-UHFFFAOYSA-N 233.340 2.754 0 40 BFAB CCCCNC[C@H]1CCCCN1CCC 22073520 KZKXGHWQGDBVPP-CYBMUJFWSA-N 212.381 2.641 0 40 BFAB COCc1noc(N)c1-c1cccc(Cl)c1 26512599 DNUOVWUQUOBBEO-UHFFFAOYSA-N 238.674 2.724 0 40 BFAB Brc1cccc2c1CCOC2 34481830 HDHXNQYPFLNOOP-UHFFFAOYSA-N 213.074 2.522 0 40 BFAB CC(C)C[C@H](N)C(=O)c1ccc2c(c1)CCC2 36162431 GPTVFUKKEMMESQ-AWEZNQCLSA-N 231.339 2.731 0 40 BFAB C=CC(=O)N[C@H](C)c1ccccc1Cl 36334462 AVNDNGZLLDIAQP-MRVPVSSYSA-N 209.676 2.703 0 40 BFAB CCCC(CCC)NC[C@@H]1CCCOC1 38043630 CPXUSEONDNEQDE-LBPRGKRZSA-N 213.365 2.971 0 40 BFAB C[C@H](Cc1ccco1)NC(=O)[C@H]1CC=CCC1 40074710 NZQAQPUXSWLLRF-NEPJUHHUSA-N 233.311 2.683 0 40 BFAB Nc1cccc(C[S@@](=O)c2ccccc2)c1 42372849 ZCCRONCNAAMYNN-INIZCTEOSA-N 231.320 2.577 0 40 BFAB in-vitro COc1ccccc1[C@@H]1C[C@H](C)CCN1 70621748 KBQZELJMWJQNDG-PWSUYJOCSA-N 205.301 2.756 0 40 BFAB CCCN(CCC)c1ncc(CCO)cc1C 72222263 GINLOBLYPIVLRS-UHFFFAOYSA-N 236.359 2.551 0 40 BFAB O=C(O)c1cc(-c2ccc(F)cc2Cl)on1 84192774 OOXPXHSCJMBFSK-UHFFFAOYSA-N 241.605 2.832 0 40 BFAB Cc1ccc([C@@H](C)N)c(Br)c1 84479937 UOEHGGOUIGMJPK-SSDOTTSWSA-N 214.106 2.777 0 40 BFAB NCc1ccc(Cl)cc1Br 84493800 FXMITEFGCJTQCP-UHFFFAOYSA-N 220.497 2.561 0 40 BFAB CCC[C@H](C)NC(=O)[C@H](C)N(C)CC(C)(C)C 84740199 WQICVBLPOZPUFJ-RYUDHWBXSA-N 242.407 2.658 0 40 BFAB CCC[C@H](CCCNCC1CCC1)OC 85396135 RTJMXFQDWZBNMR-CYBMUJFWSA-N 213.365 2.971 0 40 BFAB CC(C)c1n[nH]c2nc(Cl)nc(Cl)c12 89222657 HJCVCIYLKUNPOS-UHFFFAOYSA-N 231.086 2.783 0 40 BFAB CSCCOC(=O)c1cc(SC)c(C)o1 95405047 RYLJXFKLGMYBKN-UHFFFAOYSA-N 246.353 2.830 0 40 BFAB Fc1cc(Br)ccc1-c1cc[nH]n1 95884006 YAYHHBUQIXUYRV-UHFFFAOYSA-N 241.063 2.978 0 40 BFAB Cc1cccc(C)c1COCc1ncc[nH]1 95990962 HLSTZFBLVWGGQO-UHFFFAOYSA-N 216.284 2.743 0 40 BFAB Clc1nccn2cc(Br)cc12 96033044 GIFSTQCACGYQFU-UHFFFAOYSA-N 231.480 2.750 0 40 BFAB in-vitro COC[C@@H](NC[C@H]1CCCCO1)c1ccccc1 96491353 VVAMPJACESOZFF-HUUCEWRRSA-N 249.354 2.533 0 40 BFAB CCCOc1c(C(=O)O)oc2ccccc12 96510800 VCUHQTWSJZHXGV-UHFFFAOYSA-N 220.224 2.920 0 40 BFAB CC[C@@H](C(=O)O)[C@@H]1CCN(Cc2ccccc2)C1 96963676 LEKMNFWFDOYZRS-ZIAGYGMSSA-N 247.338 2.619 0 40 BFAB OC1CCN([C@@H]2CCCCc3ccccc32)CC1 98016208 SELAQNLIMKHVLJ-MRXNPFEDSA-N 245.366 2.911 0 40 BFAB CC(C)[C@@H]1C[C@H](O)c2cc(F)ccc2O1 130998423 UTDGIWTYNPLBGD-JQWIXIFHSA-N 210.248 2.666 0 40 BFAB COC[C@@H](C)NC(=O)c1cc2cccc(C)c2o1 226044440 DFTTYJKYVMTNOY-SNVBAGLBSA-N 247.294 2.506 0 40 BFAB Clc1cc(C2CCOCC2)nc(Cl)n1 238535711 XEABGXMPIACJHJ-UHFFFAOYSA-N 233.098 2.677 0 40 BFAB COC(=O)c1cc(C2CCCCC2)on1 259920955 ZWFUVRZRUUOXEK-UHFFFAOYSA-N 209.245 2.509 0 40 BFAB Cc1ccc(NC(=S)NC(C)C)cc1 715786 NXHQZFFTOBBUCV-UHFFFAOYSA-N 208.330 2.690 0 40 BFAB C[C@H]1CCCC[C@H]1NC(=O)c1ccccc1 971901 BDVZXZBKLDUQNY-WCQYABFASA-N 217.312 2.995 0 40 BFAB O=Cc1ccc2ccc(Br)cc2n1 1526707 UAAIYUWCJFTSAF-UHFFFAOYSA-N 236.068 2.810 0 40 BFAB in-vitro CCN(CC)[C@@H](C)C(=O)Nc1c(C)cccc1C 3602139 MAODNVTZUXOBNL-ZDUSSCGKSA-N 248.370 2.972 0 40 BFAB Cc1cc(Cl)ccc1OC(F)(F)C(=O)O 5735231 UIWBGJRQZHYKMJ-UHFFFAOYSA-N 236.601 2.705 0 40 BFAB O=C(Nc1nc2ccccc2s1)N1CCCC1 9959923 GWDYLPVULLDVJR-UHFFFAOYSA-N 247.323 2.924 0 40 BFAB Cc1cc(N2CCCc3ccccc32)ncn1 11903100 NXOJVFNTEHZEHJ-UHFFFAOYSA-N 225.295 2.869 0 40 BFAB Cc1ccc2nc(C)cc(C(=O)N3CCC3)c2c1 12919898 PMOMWFLFJGJQBJ-UHFFFAOYSA-N 240.306 2.698 0 40 BFAB Cc1cccc(-c2ccc3c(c2)C(=O)C(=O)N3)c1 16946229 LMNQANNBPYMWDB-UHFFFAOYSA-N 237.258 2.797 0 40 BFAB COc1ccc(N[S@](=O)c2ccccc2)cc1 17378480 OIZJNZHTYORACU-KRWDZBQOSA-N 247.319 2.830 0 40 BFAB Cc1ccc(CNCC(F)(F)F)s1 20084385 VNKHSLHSAJLOLR-UHFFFAOYSA-N 209.236 2.708 0 40 BFAB Nc1ccc(Cl)cc1C(=O)Nc1ccncc1 21953888 OYKWUJOBUQZDIC-UHFFFAOYSA-N 247.685 2.570 0 40 BFAB COC(OC)c1ccc(F)c(Br)c1 28278275 BYQHKXISZJLWJG-UHFFFAOYSA-N 249.079 2.880 0 40 BFAB COc1cccc(-c2csc(C(=O)O)n2)c1 33465321 OEWAXBTXGNQFDH-UHFFFAOYSA-N 235.264 2.517 0 40 BFAB CC(C)(C)OC(=O)CCCCCCCN 34186193 CGXSJIQNNZPSCT-UHFFFAOYSA-N 215.337 2.627 0 40 BFAB CCN(CC)c1ccc(C(=O)CCC(=O)O)cc1 36202815 JYDZPVFUUZVZOL-UHFFFAOYSA-N 249.310 2.580 0 40 BFAB NCCCc1cc(Cl)ccc1Cl 36204267 BJLLCDQCDCAYDF-UHFFFAOYSA-N 204.100 2.885 0 40 BFAB Nc1ccc(Nc2ccc(F)cc2)c(C(=O)O)c1 37930519 ITBGJFWHCCMPGA-UHFFFAOYSA-N 246.241 2.850 0 40 BFAB Cc1n[nH]cc1CNc1nc2ccccc2s1 38011963 NUIIBEAUGXRKLG-UHFFFAOYSA-N 244.323 2.940 0 40 BFAB CCOC(OCC)C(CC)C(OCC)OCC 39221154 GFCQYNBXLQEBEJ-UHFFFAOYSA-N 248.363 2.811 0 40 BFAB CN(C(=O)CC[C@@H]1CCCO1)C1CCCCC1 40505785 VKRHBOIOHICIEX-ZDUSSCGKSA-N 239.359 2.737 0 40 BFAB CC(C)CC(=O)NCCSC1CCCC1 40511056 DEVXCSDJJPYKRA-UHFFFAOYSA-N 229.389 2.825 0 40 BFAB Fc1ccc2[nH]cc([C@H]3CCCNC3)c2c1 44135653 DOFKTGJHTOAAJF-VIFPVBQESA-N 218.275 2.774 0 40 BFAB CCOC(=O)c1c(F)ccc(F)c1Cl 44200471 MPNZVNFLBJNGBX-UHFFFAOYSA-N 220.602 2.795 0 40 BFAB COc1ccc(-c2ccc(C)c(N)c2)cn1 44272150 CKMUHNNPHLKULG-UHFFFAOYSA-N 214.268 2.648 0 40 BFAB in-vitro COc1ccc(C(=O)c2ccc(Cl)nc2)cc1 45038682 BQYQMYYGQDVIKS-UHFFFAOYSA-N 247.681 2.975 0 40 BFAB NCCCn1cc(-c2ccc(Cl)cc2)cn1 49827911 QDGVYOKUFZQGPO-UHFFFAOYSA-N 235.718 2.552 0 40 BFAB CNC(=O)CCSc1ccc(C)c(C)c1 69385890 LWDIWQRYOUZKMY-UHFFFAOYSA-N 223.341 2.532 0 40 BFAB CCN(C)C(=O)C12CC3CC(CC(C3)C1)C2 71869180 UEEVOEWOWADDHR-UHFFFAOYSA-N 221.344 2.681 0 40 BFAB CCN1CCCC[C@@H]1c1ccc(NC)nc1 72212492 UMLLPUJWWCNBES-GFCCVEGCSA-N 219.332 2.670 0 40 BFAB CCC(=O)c1ccc(NC2CC2)nc1C 72224850 GRBHXSRFMQJPGE-UHFFFAOYSA-N 204.273 2.557 0 40 BFAB CC[C@H](N)COCc1ccccc1Cl 74496215 HMBCPNJOSTUFOK-JTQLQIEISA-N 213.708 2.594 0 40 BFAB CN(Cc1ccccc1)C(=O)OCC(F)(F)F 87304551 JGLPBENCWCGPKN-UHFFFAOYSA-N 247.216 2.817 0 40 BFAB COc1ccc2ccn(CC3CCC3)c(=O)c2c1 92333393 JIWZRCAIZLWLIS-UHFFFAOYSA-N 243.306 2.810 0 40 BFAB Cc1nc2c(s1)CC(=O)c1ccccc1-2 103633972 BHEZMRWBQPLDIV-UHFFFAOYSA-N 215.277 2.857 0 40 BFAB O=C(NCCCc1ccccc1Cl)C1CC1 107189945 DUHMQZWBEFYYFW-UHFFFAOYSA-N 237.730 2.799 0 40 BFAB Cc1ccc(N[C@@H]2CCCC[C@@H]2N)c(F)c1 218866916 BEYAYJXCSGJMIU-WCQYABFASA-N 222.307 2.816 0 40 BFAB Cc1ccccc1-n1ncc2c1C[C@@H](C)CC2=O 228930500 WULHWTPUIDMSBL-SNVBAGLBSA-N 240.306 2.946 0 40 BFAB FC(F)(F)c1cccc(O[C@@H]2CCSC2)n1 585654215 FIOVKFITDBTTPE-SSDOTTSWSA-N 249.257 2.985 0 40 BFAB Fc1cccc(-c2cncc([C@@H]3CCCN3)n2)c1 616576011 OFUWMSHZQBBMDD-LBPRGKRZSA-N 243.285 2.707 0 40 BFAB Cc1c(C(C)C)[nH]c2cc(O)ccc2c1=O 685938104 CKVFMCTXEWWKNH-UHFFFAOYSA-N 217.268 2.666 0 40 BFAB C[C@@H]1[C@@H](N)CC2(CCC2)CN1Cc1ccccc1 1535647588 UREUEMHSCBVYKG-HIFRSBDPSA-N 244.382 2.778 0 40 BFAB COc1ccc(C)cc1Nc1ncnc(C)c1F 1888859986 IMLIVADGDXABKR-UHFFFAOYSA-N 247.273 2.985 0 40 BFAB Cc1n[nH]c(C)c1CCOc1ccc(F)cc1 210537 HFRIXTTWAJCZAJ-UHFFFAOYSA-N 234.274 2.787 0 40 BFAB CCSc1nnc(-c2ccc(OC)cc2)o1 416265 RWIXHUVOMHDDPG-UHFFFAOYSA-N 236.296 2.857 0 40 BFAB CCC[C@H](C)NC(=O)c1cccc(OC)c1 477592 MWBPCZNMXWVNPV-JTQLQIEISA-N 221.300 2.614 0 40 BFAB Cc1ccc(C(=O)NCC(C)C)c(C)c1 514667 NEDWVUIEMLZZFR-UHFFFAOYSA-N 205.301 2.689 0 40 BFAB Cc1ccc(S(=O)(=O)C2C=CC=CC=C2)cc1 1659897 FINZIBANCJJCNZ-UHFFFAOYSA-N 246.331 2.820 0 40 BFAB O=C(O)c1c(F)cc(C(F)(F)F)c(F)c1F 2509705 QWOCVHZTKMSWRC-UHFFFAOYSA-N 244.090 2.821 0 40 BFAB Cc1ccc([C@@H](C)NC(=O)[C@@H]2C[C@@H]2C)cc1 4651194 MNFOEAXSHGSEIY-DMDPSCGWSA-N 217.312 2.828 0 40 BFAB CC1CCC(NC(=O)c2ccco2)CC1 6263617 FOHJUZOZEAMFJO-UHFFFAOYSA-N 207.273 2.588 0 40 BFAB CCOCCCNCc1cccc(OCC)c1 8253194 BHEXRYWRBKEBRG-UHFFFAOYSA-N 237.343 2.602 0 40 BFAB CC(=O)Nc1cccc([C@H](C)NCC2CC2)c1 20086232 ZWWYTIYOCZEURH-JTQLQIEISA-N 232.327 2.706 0 40 BFAB CSc1nnc(Cc2ccc(C)c(C)c2)o1 20196942 WXSZSESFJWYODE-UHFFFAOYSA-N 234.324 2.999 0 40 BFAB CCCCN(CCCC)C[C@@H](N)C(C)C 20485819 LAOZXUKGSSEHFF-CYBMUJFWSA-N 214.397 2.872 0 40 BFAB Cc1cccc(NC(=O)CN(C)C(C)C)c1C 31300522 FTYRDDAZBDNHTG-UHFFFAOYSA-N 234.343 2.582 0 40 BFAB Fc1cccc(-c2ccnc(Cl)n2)c1 38580110 GJVWQLLOLZWULX-UHFFFAOYSA-N 208.623 2.936 0 40 BFAB Cc1ccccc1CNC(=O)C(C)(C)C 40460953 WEBMFYJDZHTDGB-UHFFFAOYSA-N 205.301 2.657 0 40 BFAB COc1ccc(-c2ccc(=S)[nH]n2)cc1 41231198 GNJXOVJIRSUMDA-UHFFFAOYSA-N 218.281 2.815 0 40 BFAB Cc1c(F)cccc1C(=O)C[C@H](C)CC(=O)O 43214317 OFHJPQDOXOQPBW-QMMMGPOBSA-N 238.258 2.818 0 40 BFAB CCCNC(=O)N[C@H](C)c1ccc2c(c1)CCC2 54803594 SPBLQINFTKCZQG-LLVKDONJSA-N 246.354 2.946 0 40 BFAB CNC(=O)CCOc1ccc(Cl)cc1Cl 56490960 MZNKNBYZWQEEQE-UHFFFAOYSA-N 248.109 2.508 0 40 BFAB O=C1CCCc2cc3c(cc2N1)CCCC3 57939302 WIBQCHIBJSOAJR-UHFFFAOYSA-N 215.296 2.840 0 40 BFAB CN(CCNc1nc2ccccc2s1)C1CC1 58938159 CVXPZGVKEMHTSV-UHFFFAOYSA-N 247.367 2.802 0 40 BFAB O=Cc1ccc(OCCC(F)(F)F)cc1 70206466 XWYJOWQJOHFQSL-UHFFFAOYSA-N 218.174 2.830 0 40 BFAB CC(C)CN1CCC[C@@H]1c1ccc(N(C)C)nc1 72212599 PHBDWPRYOISTIG-CQSZACIVSA-N 247.386 2.941 0 40 BFAB CCOc1cccc2oc(C(=O)O)c(C)c12 85395639 XKFZFLXQZKBAQD-UHFFFAOYSA-N 220.224 2.838 0 40 BFAB CCOC(=O)c1cc(C2CCCC2)on1 88242136 XPYFYLQXHWVEDS-UHFFFAOYSA-N 209.245 2.509 0 40 BFAB COCC(=O)N[C@H](CC1CCC1)c1ccccc1 97047106 QLYOAUMGPWRKJG-CQSZACIVSA-N 247.338 2.681 0 40 BFAB Cc1nc2cc(-c3ccoc3C)nn2c(O)c1C 100483425 ZOORCJUNRDWKAD-UHFFFAOYSA-N 243.266 2.620 0 40 BFAB COc1cccc2c1C1[C@H]3C4C5[C@@H]3C2[C@@H]5[C@@H]14 104286319 PHICXBGTDAEVRO-HLTUOOCMSA-N 210.276 2.628 0 40 BFAB CC1=N[C@@](C)(c2ccccc2)N([O])C1(C)C 104478541 YCTWSQHOOYOWQK-CYBMUJFWSA-N 217.292 2.760 0 40 BFAB Cc1c(Br)cnc2ncccc12 145500146 DOZALCOKNIMKNG-UHFFFAOYSA-N 223.073 2.701 0 40 BFAB CC(C)CC[C@H](C)N[C@@H]1CCCC[C@H]1O 186798390 DKWSQAFXFIHXSZ-YNEHKIRRSA-N 213.365 2.704 0 40 BFAB Cc1ccc(C)c(N[C@H]2CCC[C@@H]2N)c1 218879178 DCHVTGCOGVKPKL-RYUDHWBXSA-N 204.317 2.595 0 40 BFAB CCn1ccnc1CN1CCc2sccc2C1 225522150 WIGOFGMOALFQCS-UHFFFAOYSA-N 247.367 2.523 0 40 BFAB Cc1cc(-n2cccc2)ccc1N1CCOCC1 226246025 YSSVAHKDQYPZFE-UHFFFAOYSA-N 242.322 2.622 0 40 BFAB Cc1ccc([C@H](O)c2ccc(N)c(C)c2)cc1 226292931 VFHNLJKDBYHJJX-HNNXBMFYSA-N 227.307 2.967 0 40 BFAB CN(C(=O)c1ccccc1O)c1ccccc1 335137 ACVBVXMHXWWRJS-UHFFFAOYSA-N 227.263 2.669 0 40 BFAB COc1ccc([C@]2(C)OCC[C@@H](C)O2)cc1 1678000 SAAUIEUMQNCILJ-ZWNOBZJWSA-N 222.284 2.693 0 40 BFAB CC1CCN(CCC(=O)c2ccccc2)CC1 1685729 LVTXFVGIXHOMSX-UHFFFAOYSA-N 231.339 2.991 0 40 BFAB O=C1C[C@H](c2ccccc2)NN1c1ccccc1 2035079 RAQBOVMWAGOKDG-CQSZACIVSA-N 238.290 2.669 0 40 BFAB biogenic CCCNC(=O)[C@H](C)SCc1ccccc1 2179194 QHFSCROFXVILHT-NSHDSACASA-N 237.368 2.835 0 40 BFAB O=C1Nc2ccccc2/C1=C\c1cccnc1 4824092 ALVGMCFQOGIUFY-XYOKQWHBSA-N 222.247 2.574 0 40 BFAB in-vitro CCCCCNC(=O)Cc1ccccc1 5418585 YZLZQXXVYJDVEZ-UHFFFAOYSA-N 205.301 2.536 0 40 BFAB O=C(NC(=S)c1ccc[nH]1)Nc1ccccc1 6575419 UTPKPOOMPDABPU-UHFFFAOYSA-N 245.307 2.512 0 40 BFAB C[C@@H](NC(=O)Nc1ccccc1)C1CC1 10109382 VBBOGUVAPQGDSX-SECBINFHSA-N 204.273 2.607 0 40 BFAB in-vitro O=C1Nc2ccccc2C[C@H]1c1ccccc1 12505384 WIGSEVPKWYDXGT-ZDUSSCGKSA-N 223.275 2.965 0 40 BFAB CC1CCC(NC(=O)C2CCCC2)CC1 12914692 FOTYKYUKNOLODH-UHFFFAOYSA-N 209.333 2.872 0 40 BFAB CC[C@@](C)(O)CCCCC[C@@H]1C=CC(=O)O1 14490832 SYVFGLXUEAXFAP-DGCLKSJQSA-N 226.316 2.580 0 40 BFAB biogenic,in-vitro CC(C)=CCC/C(C)=C\CN1C(=O)C=CC1=O 17024445 JSPKKJGNJHTIIK-XFXZXTDPSA-N 233.311 2.604 0 40 BFAB Brc1cccc([C@@H]2CCNC2)c1 19785230 VSILMHOCUHKEQH-SECBINFHSA-N 226.117 2.526 0 40 BFAB CCCCNC(=O)c1ccc(O)c(Cl)c1 19838375 BDHAGVMNUYVJKS-UHFFFAOYSA-N 227.691 2.576 0 40 BFAB COC(=O)Cc1ccc(OC(C)(C)C)cc1 20134086 ABVZZNOBKKECQW-UHFFFAOYSA-N 222.284 2.579 0 40 BFAB Cc1cc(C(=O)Nc2ncccc2O)c(C)s1 22264273 FIIUMIIORRMJTH-UHFFFAOYSA-N 248.307 2.718 0 40 BFAB CCCCN1CCCN(CCCC)C1=O 26025971 GZULCIJFOUKWJS-UHFFFAOYSA-N 212.337 2.714 0 40 BFAB Oc1ccc2nc(C(F)(F)F)ccc2c1 34574247 GIDBLBNOBVJWFW-UHFFFAOYSA-N 213.158 2.959 0 40 BFAB Cc1cc2c(C(=O)O)c(C(C)C)ccc2c(=O)o1 35458983 VIQNNOUSVGUQPQ-UHFFFAOYSA-N 246.262 2.923 0 40 BFAB biogenic,in-vitro OC[C@@H](NC1CCCCC1)c1ccccc1 38111290 KTCCWSCPSBUELZ-CQSZACIVSA-N 219.328 2.642 0 40 BFAB CC[C@H](O)[C@@H]1CCCCN1C(=O)OC(C)(C)C 38675864 TZLDOZMPGLEGAW-QWRGUYRKSA-N 243.347 2.547 0 40 BFAB CCOC(=O)[C@@H](C)SC1CCCC1 41391365 NNKIDVVNZRMIHF-MRVPVSSYSA-N 202.319 2.614 0 40 BFAB CC(C)(C)c1ccccc1O[C@@H]1CCNC1 42776199 MICHAQIIWYJGEO-LLVKDONJSA-N 219.328 2.725 0 40 BFAB CN(C)c1ccccc1NC(=O)NC1CCCC1 44082285 XZINWCTTWOCLEW-UHFFFAOYSA-N 247.342 2.817 0 40 BFAB CC/C=C(\C)C(=O)NCc1ccccc1OC 46042071 NGFWXUYUFJZNEG-YRNVUSSQSA-N 233.311 2.668 0 40 BFAB O=C(Cc1cccnc1)c1ccc(F)cc1F 55238589 JOVMIPAAPUORKW-UHFFFAOYSA-N 233.217 2.785 0 40 BFAB CCCn1cc(C(=O)OC)c2ccccc21 64177406 QJSOSZVUPGFFKC-UHFFFAOYSA-N 217.268 2.838 0 40 BFAB CCCN1CCC[C@H]1c1cccnc1NC 72212538 XKIBPOPCTHPNDR-LBPRGKRZSA-N 219.332 2.670 0 40 BFAB COc1cccc(Cn2cnc(C)c2C)c1 72282496 CHAWMPIFRYOVCA-UHFFFAOYSA-N 216.284 2.557 0 40 BFAB Cc1cccc(C)c1NCCCN1CCOC1=O 72296275 GASRZEMFROXEGT-UHFFFAOYSA-N 248.326 2.558 0 40 BFAB CC(C)NCc1ccc(OCCF)cc1 87774239 DHFONQZZEXEXHH-UHFFFAOYSA-N 211.280 2.533 0 40 BFAB Cc1occc1C(=O)N1CCC[C@@H]2CCC[C@H]21 89540596 IHDIPNADDDHPJB-WCQYABFASA-N 233.311 2.993 0 40 BFAB CC1(C)CN(C(=O)C2CCCC2)CCS1 89919590 OWAHZLRVCMQKHN-UHFFFAOYSA-N 227.373 2.531 0 40 BFAB CC(C)(C)OC(=O)n1cnc2c(C=O)cccc21 95627130 CSKHSTUQCFQKPL-UHFFFAOYSA-N 246.266 2.632 0 40 BFAB Fc1ccc(Cl)c(OCCC2OCCO2)c1 95733977 BFWLQOZRGOJRGO-UHFFFAOYSA-N 246.665 2.621 0 40 BFAB Cc1ccc(C(=O)O)c(F)c1C(F)(F)F 98210816 KXNUVQYERQHBFG-UHFFFAOYSA-N 222.137 2.851 0 40 BFAB Cc1c(CN)c2cc(O)ccc2n1CC(C)C 223755410 DDVQJIJFQQIBDQ-UHFFFAOYSA-N 232.327 2.770 0 40 BFAB CCN(c1ccc(C)c(Cl)c1)[C@H](C)C(=O)O 260679388 LBIURFFGFBCODG-SECBINFHSA-N 241.718 2.948 0 40 BFAB Cc1noc(NC(=O)[C@H]2CCCCS2)c1C 273082708 MORDHWIMYIMPPT-SECBINFHSA-N 240.328 2.516 0 40 BFAB CC1=CCCN(c2nccc(C(F)(F)F)n2)C1 390835781 YHXIJAJVGGBQEK-UHFFFAOYSA-N 243.232 2.652 0 40 BFAB Cc1nccnc1Oc1ccccc1F 1888879607 BNFMWSUQBFJARS-UHFFFAOYSA-N 204.204 2.716 0 40 BFAB C=CC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C 56863 PSGCQDPCAWOCSH-OPQQBVKSSA-N 208.301 2.930 0 40 BFAB Cc1ccc(O[C@H](C)C(=O)NCC(C)C)c(C)c1 364895 BORGFOGOECXLCD-CYBMUJFWSA-N 249.354 2.843 0 40 BFAB Nc1ccc([C@@H]2CC2(Cl)Cl)cc1 1439835 SUXCRRZYROZECQ-QMMMGPOBSA-N 202.084 2.930 0 40 BFAB CCCCCOC(=O)c1ccccc1N 1568936 JCKCYPSMCQDSHT-UHFFFAOYSA-N 207.273 2.616 0 40 BFAB CCCC[C@@H](O)c1ccc2c(c1)OCO2 1693696 HVIYWLGVHHVGKB-SNVBAGLBSA-N 208.257 2.639 0 40 BFAB CCOc1ccc([C@H]2CCCCN2)cc1 3734457 OOVFZXHTMKIPFL-CYBMUJFWSA-N 205.301 2.900 0 40 BFAB N=c1nc2n(c3ccccc13)Cc1ccccc1-2 4882188 HBYRHHGDEUAQHL-UHFFFAOYSA-N 233.274 2.544 0 40 BFAB Cc1cc(C)c2c(n1)nn1c(Cl)cc(C)nc21 7636163 BYXTVDMHMWWYTP-UHFFFAOYSA-N 246.701 2.856 0 40 BFAB Cc1cc(C(=O)NC2CCCCC2)c(C)n1C 8052005 MPUSUBKVRMOQTJ-UHFFFAOYSA-N 234.343 2.704 0 40 BFAB O=Cc1cc2cccc(F)c2nc1Cl 11850783 KZWWNTVULJNLMY-UHFFFAOYSA-N 209.607 2.840 0 40 BFAB N#CNc1nc2ccc(Cl)cc2s1 13638855 SFTKSGCDJWWPLZ-UHFFFAOYSA-N 209.661 2.843 0 40 BFAB COc1ccc2[nH]c3c(c2c1)CCC[C@H]3CN 19737177 SPJVBNCWKSIYSL-VIFPVBQESA-N 230.311 2.555 0 40 BFAB CC(C)C1=C[C@@H]2[C@@H](CC[C@]2(C)O)[C@](C)(O)CC1 26832394 IWQURBSTAIRNAE-TUVASFSCSA-N 238.371 2.891 0 40 BFAB biogenic,in-vitro C[C@H]1CCCN(C(=O)CSC(C)(C)C)C1 33023520 LEKCSTRMFAVIQG-JTQLQIEISA-N 229.389 2.777 0 40 BFAB O=[N+]([O-])/C=C\c1cc(Br)cs1 33363570 HFKHRPZOEUWBPV-UPHRSURJSA-N 234.074 2.758 0 40 BFAB CCNC(=O)CCCc1c[nH]c2ccccc12 35127749 FJOJHHSTGDCJMS-UHFFFAOYSA-N 230.311 2.627 0 40 BFAB CC[C@@H]1CCCN(Cc2nnsc2Cl)C1 35249197 KIRLXXCSINKOEC-MRVPVSSYSA-N 245.779 2.814 0 40 BFAB COc1ccc(-c2cc(Cl)ncn2)cc1F 38580292 PRKOHIYQLPVUMY-UHFFFAOYSA-N 238.649 2.945 0 40 BFAB CCc1ccc(C(=O)Nc2ncc(C)s2)o1 40510988 DOZXADHJHVNIEF-UHFFFAOYSA-N 236.296 2.859 0 40 BFAB CN(C)C(=O)NC1(c2ccc(Cl)cc2)CC1 41566291 PUPCDZRVDWSIKJ-UHFFFAOYSA-N 238.718 2.600 0 40 BFAB CCOc1ccccc1NC(=O)CC(F)(F)F 43070467 PMABGLLPFABNJT-UHFFFAOYSA-N 247.216 2.976 0 40 BFAB COc1cccc(C(=O)c2ccc(Cl)nc2)c1 45038679 PYETXPWIRVWULI-UHFFFAOYSA-N 247.681 2.975 0 40 BFAB C[C@@H]1C[C@@H](C)CN(c2cc(=S)[nH]cn2)C1 45918631 XQCQPQVSVHTAAA-RKDXNWHRSA-N 223.345 2.621 0 40 BFAB Cc1ccc(C(=O)N(C)Cc2ccncc2)s1 46045722 DHVPUIRUSJYWEZ-UHFFFAOYSA-N 246.335 2.724 0 40 BFAB CCCc1noc(CN(CC)CC(C)C)n1 46064279 XEVSRHUTFHCXJL-UHFFFAOYSA-N 225.336 2.500 0 40 BFAB Clc1cnn(Cc2ccnc(Cl)c2)c1 52719948 OWNOPWZQDVXQKJ-UHFFFAOYSA-N 228.082 2.633 0 40 BFAB in-vitro CC(C)CCC(=O)N[C@@H](C)c1cccnc1 58283489 CTXCRXPQBBDJOZ-NSHDSACASA-N 220.316 2.695 0 40 BFAB CNC/C=C/c1ccc(Br)cc1 70453306 RYVIUTMQZZAWFH-NSCUHMNNSA-N 226.117 2.682 0 40 BFAB in-vitro CC[C@H](N)c1cnc(N2CCCCC2)cc1C 72223505 YGEBFVNAVUKTDJ-ZDUSSCGKSA-N 233.359 2.790 0 40 BFAB CCC(=O)c1ccc(N(CC)CC)nc1C 72224300 YVCFUMNANLPGBW-UHFFFAOYSA-N 220.316 2.829 0 40 BFAB c1ccc(-c2noc([C@H]3CCCO3)n2)cc1 72595191 RVUZAOFOELPMNM-SNVBAGLBSA-N 216.240 2.588 0 40 BFAB O=C(O)C1(c2ccc(F)c(Cl)c2)CC1 82595545 JBPVKSSAUZFGJP-UHFFFAOYSA-N 214.623 2.595 0 40 BFAB Cc1ccccc1Cc1ccc(C(=O)O)o1 83990716 RJRHQRJMAXEHTE-UHFFFAOYSA-N 216.236 2.877 0 40 BFAB CNC(=O)NCCCCCCC(C)C 84510308 AMLPTUCNNTVZLQ-UHFFFAOYSA-N 200.326 2.522 0 40 BFAB Cc1cc2c(N3CC[C@@H](C)C3)ncnc2s1 90088098 AWJBWKFBZUWCSG-MRVPVSSYSA-N 233.340 2.846 0 40 BFAB COC(=O)c1scc(Cl)c1OC(C)C 96510946 HEZXTYDDNLTIJL-UHFFFAOYSA-N 234.704 2.975 0 40 BFAB Cc1nc2ccccc2c(N2CCOCC2)c1C 97085890 HKWDDQANRLGSDT-UHFFFAOYSA-N 242.322 2.688 0 40 BFAB CC[C@@H](O)CN[C@@H](C)[C@@H](C)c1ccccc1 97110024 PXEKSGOZQYXUGP-MBNYWOFBSA-N 221.344 2.539 0 40 BFAB COc1cc(C(F)(F)F)cc(F)c1C=O 97438999 LBIXCFNBKRMKLI-UHFFFAOYSA-N 222.137 2.666 0 40 BFAB Oc1cccc2c(Br)coc12 108328475 FUTBKVCKUYGJFN-UHFFFAOYSA-N 213.030 2.901 0 40 BFAB CCCCNC(=O)[C@@H](C)Sc1ccoc1C 131417227 NZCVAHHQSWVUMF-SNVBAGLBSA-N 241.356 2.985 0 40 BFAB CN(Cc1ccncc1)Cc1c(F)cccc1F 183745349 DLBABMRTBQLDIB-UHFFFAOYSA-N 248.276 2.992 0 40 BFAB Cc1c(N[C@@H](C)[C@H]2CCOC2)cccc1N(C)C 195116009 MMXMMIKEZBLJSO-STQMWFEESA-N 248.370 2.898 0 40 BFAB Cc1cccc(C)c1-n1ccc(CO)c1 223724086 CBIBJZGJQTVOEG-UHFFFAOYSA-N 201.269 2.586 0 40 BFAB Cn1cccc1[C@H]1COCCN1[C@@H]1C=CCCC1 249087371 CGVCALGOFTZFEH-UKRRQHHQSA-N 246.354 2.507 0 40 BFAB COC(=O)CCC(=O)c1ccccc1SC 382710621 YCOSOEBGZHIILO-UHFFFAOYSA-N 238.308 2.544 0 40 BFAB CC[C@H](C)OCc1nn(CC)cc1Cl 408715355 KPDORIGYPHKKSK-QMMMGPOBSA-N 216.712 2.872 0 40 BFAB Cc1oncc1CN1CCC[C@H]1C(F)(F)F 527629361 IMSVYQWXSOZNAS-VIFPVBQESA-N 234.221 2.510 0 40 BFAB Cc1cc(NC(=O)c2c(C)cccc2C)no1 2071 GBTKANSDFYFQBK-UHFFFAOYSA-N 230.267 2.852 0 40 BFAB investigational Cc1ccc(CNC(=O)c2ccco2)cc1 30005 QQLKIBXDOBGYJV-UHFFFAOYSA-N 215.252 2.518 0 40 BFAB Cc1cc2nc(C3CC3)cc(C(F)F)n2n1 374915 KCSDOFXGVJPCCL-UHFFFAOYSA-N 223.226 2.853 0 40 BFAB Cc1cc(C)cc([C@H](O)c2ccccn2)c1 971660 KHYPHHBGFCQXFI-AWEZNQCLSA-N 213.280 2.780 0 40 BFAB C[n+]1ccc(CCSc2ccccc2)cc1 1571016 HZLSJSKTGOHEHZ-UHFFFAOYSA-N 230.356 2.846 0 40 BFAB CCCCOCCC(=O)OCCCC 1599259 BMOACRKLCOIODC-UHFFFAOYSA-N 202.294 2.537 0 40 BFAB C[C@](O)(Cc1cccnc1)c1cccs1 1675450 RKIRPVPPFSBYKV-LBPRGKRZSA-N 219.309 2.593 0 40 BFAB CC(=O)Oc1ccc2oc3c(c2c1)C(=O)CCC3 2129467 RUFWBYHPYKXLFY-UHFFFAOYSA-N 244.246 2.877 0 40 BFAB biogenic O=C1/C(=C\c2cccs2)N=C2CCCCCN12 3212375 PAPOWTPPVPBJOI-PKNBQFBNSA-N 246.335 2.904 0 40 BFAB COc1cccc(-c2[nH]nc3c2CCC3)c1 4002568 SZINELHOCJUWLD-UHFFFAOYSA-N 214.268 2.574 0 40 BFAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[C@@H]1C=CC(=O)O1 4027239 URWJVUPZIGIVFZ-CZXHOFHRSA-N 238.327 2.903 0 40 BFAB biogenic CCN(CC[n+]1ccccc1)c1cccc(C)c1 5139619 KAHZLASWIIUZTM-UHFFFAOYSA-N 241.358 2.809 0 40 BFAB Cc1nccn1C(=O)c1ccc(Cl)cc1 6413653 NTWKDCQLGOMNDW-UHFFFAOYSA-N 220.659 2.533 0 40 BFAB O=C(Nc1ccc2c(c1)OCCCO2)C1CCC1 7980181 AHHLKFQBNBHMRH-UHFFFAOYSA-N 247.294 2.587 0 40 BFAB CNC(=O)c1sc(-c2ccsc2)nc1C 8102512 SGZNAMKGNAARFL-UHFFFAOYSA-N 238.337 2.540 0 40 BFAB CCC(CC)C(=O)Nc1ccc(C)cc1N 8703506 GBMXFPCHXUQILZ-UHFFFAOYSA-N 220.316 2.952 0 40 BFAB Cc1ccc(C(=O)N[C@@H](C)c2ccccn2)cc1 12527879 GNLDFHGQJKMUSC-LBPRGKRZSA-N 240.306 2.881 0 40 BFAB CCCC(=O)Nc1ccc(OC)c2ncccc12 15840714 OMNKHNJSLAYRQG-UHFFFAOYSA-N 244.294 2.982 0 40 BFAB CCCC(=O)Nc1cccc2c1CCCN2 19279550 DULGMKWUJYCQOR-UHFFFAOYSA-N 218.300 2.783 0 40 BFAB in-vitro CN[C@H](CN1CCCC1)c1c[nH]c2ccccc12 22029086 LZHMELKNPUGVRV-OAHLLOKOSA-N 243.354 2.524 0 40 BFAB COC[C@@H](C)NC(=O)c1cccc2ccccc12 22624407 VVEOUAWLHUEOGD-LLVKDONJSA-N 243.306 2.605 0 40 BFAB O=C(O)/C=C/c1c(Cl)[nH]c2ccccc12 26895947 VRCSOMWBCGMRDC-AATRIKPKSA-N 221.643 2.919 0 40 BFAB CC[C@@H]1CCCCN1C(=O)c1occc1C 32784515 SEHIARKQLQDCGT-LLVKDONJSA-N 221.300 2.993 0 40 BFAB OCc1ccc(N2CCCCC2)cc1Cl 32911331 PDOLNWXZPRYAKL-UHFFFAOYSA-N 225.719 2.823 0 40 BFAB CC[C@H](N)Cc1ccccc1C(F)(F)F 36778944 KCDOUUPUKHRKAJ-VIFPVBQESA-N 217.234 2.985 0 40 BFAB in-vitro Cc1ccc(NCc2csnn2)c(F)c1 36902159 MFWCWTQPCUZDBT-UHFFFAOYSA-N 223.276 2.598 0 40 BFAB CN[C@@H](c1ccc(C)cc1)c1ccccn1 37467468 DNLNMMSVFORYMD-AWEZNQCLSA-N 212.296 2.699 0 40 BFAB in-vitro CC(C)c1ccccc1OC[C@H]1CCNC1 42772471 ZRHJKMFJHLJNNB-LBPRGKRZSA-N 219.328 2.798 0 40 BFAB Cc1ccc(C(=O)c2cc(F)cc(F)c2)nc1 45028569 FCRYEPOSUWLDLF-UHFFFAOYSA-N 233.217 2.899 0 40 BFAB COc1ccc(-n2cc(C=O)cc2C)cc1 48508573 CBBZSFRIRYSYOQ-UHFFFAOYSA-N 215.252 2.607 0 40 BFAB c1ccc2oc(C[C@H]3CCCN3)cc2c1 59777524 PTLKBOHWKLVUMP-LLVKDONJSA-N 201.269 2.727 0 40 BFAB COc1ccc(OC)c(C(=O)CCSC)c1 69984230 QMNXMZRGYDZUEP-UHFFFAOYSA-N 240.324 2.640 0 40 BFAB CCOc1cc(OCC)c(C(=O)O)cc1Cl 71464503 XDQRAAZWYCAION-UHFFFAOYSA-N 244.674 2.836 0 40 BFAB CCOC(=O)c1cnc2c(C)cccc2c1 72206389 ANSOCZAPKSUGDB-UHFFFAOYSA-N 215.252 2.720 0 40 BFAB CN1CCCC[C@H]1c1cccnc1NC1CC1 72213733 UOPVGRBJTSCRPY-ZDUSSCGKSA-N 231.343 2.813 0 40 BFAB Cc1cc(S)ncc1[C@@H]1CCCCN1C 72218334 HTOWNSYZQDREPI-NSHDSACASA-N 222.357 2.836 0 40 BFAB N[C@H]1CCCC[C@H]1NCc1ccc(Cl)cc1 72411161 FBVLDSYXYDSPMZ-QWHCGFSZSA-N 238.762 2.700 0 40 BFAB CCCCNC(=O)Cc1ccc(C)cc1C 74960062 QFWFJCZSRQHKBO-UHFFFAOYSA-N 219.328 2.762 0 40 BFAB Cc1cnc(CN2CCC[C@H]2C(C)(C)C)o1 75716444 DMSBRNXDGULAMG-NSHDSACASA-N 222.332 2.994 0 40 BFAB C[C@H](N)c1c(F)cccc1C(F)(F)F 75845005 AVBMULHZUJQLPZ-YFKPBYRVSA-N 207.170 2.864 0 40 BFAB C[C@@H](C(=O)O)c1ccc(Br)cc1F 84567027 JIGOFQURBSJRNM-RXMQYKEDSA-N 247.063 2.776 0 40 BFAB CC1(C)C(=O)C[C@H]1OCc1ccccc1 85504396 OQYCKJLAKYHLTP-GFCCVEGCSA-N 204.269 2.571 0 40 BFAB in-vitro c1cc(CNC2CCCCCCC2)on1 95964645 NSPZRZYUFKFAFC-UHFFFAOYSA-N 208.305 2.877 0 40 BFAB c1cc(-c2nc([C@H]3CCCCCN3)no2)co1 96001559 CHNOJUDWMFDQRC-SNVBAGLBSA-N 233.271 2.534 0 40 BFAB C/C=C/C=C/C(=O)N[C@H]1CCC[C@@H]1SCC 96450530 ZOZDWJYAVDBLRD-HBWCEQOPSA-N 239.384 2.909 0 40 BFAB CC(C)CN(CC[C@@H](N)C(C)C)CC(C)C 96523809 DNAOFHBHBSLTNN-CQSZACIVSA-N 228.424 2.974 0 40 BFAB C[C@@H](c1ccncc1)N(C)Cc1cncs1 97113679 DKXBQLBYYUMPGF-JTQLQIEISA-N 233.340 2.731 0 40 BFAB O=C(O)[C@H]1C[C@@H]1[C@@H]1C[C@@H]1c1ccccc1 110748993 XFIGCNCLVXGNDI-KKOKHZNYSA-N 202.253 2.511 0 40 BFAB CCN(CC)Cc1ccc(OC)cc1OC 123254283 ACLSKGLCNJYGTP-UHFFFAOYSA-N 223.316 2.546 0 40 BFAB Cn1c(N2C[C@H]3CCC[C@H]3C2)nc2ccccc21 179315384 ITAAVKYYZYPENP-TXEJJXNPSA-N 241.338 2.810 0 40 BFAB Cc1cccc(N2CCN[C@H]3CCC[C@H]32)c1C 218846541 PXWYSOUCLNXSRV-DZGCQCFKSA-N 230.355 2.634 0 40 BFAB Cn1cnc2c(Br)cc(Cl)cc21 219965831 AHMCMDIRPWDFOJ-UHFFFAOYSA-N 245.507 2.989 0 40 BFAB CC[C@H](C(=O)O)N(CC)c1ccc(C)cc1 224981449 HSHHYNLBYNQFAI-GFCCVEGCSA-N 221.300 2.685 0 40 BFAB CC(C)Oc1nc2c(F)cccc2cc1N 685936843 CGHUOWODUMVRDV-UHFFFAOYSA-N 220.247 2.743 0 40 BFAB COC(=O)Nc1nnc(C2CCCCC2)s1 2770731 WILUZDBGSBZQLR-UHFFFAOYSA-N 241.316 2.764 0 40 BFAB CCN(CC)C[C@H]1C(=O)[C@]2(C)CC[C@H]1C2(C)C 3845440 PJDFPHPQOIPEKX-JMSVASOKSA-N 237.387 2.970 0 40 BFAB CCN(CC)[C@@H]1[C@H]2CC[C@@](C)([C@@H]1O)C2(C)C 4722961 JBGSUUCUNUGRIZ-BYNQJWBRSA-N 225.376 2.514 0 40 BFAB COc1ccc([C@H](C(=O)O)C(C)C)cc1 5761398 OWSOZXBIUKEPTD-LLVKDONJSA-N 208.257 2.519 0 40 BFAB in-vitro C[C@@H](N)Cc1ccc(C(F)(F)F)cc1 6036812 SUUROQOAYQTBFV-SSDOTTSWSA-N 203.207 2.595 0 40 BFAB in-vitro Cc1ccc(NC(=O)Cc2csc(C)n2)cc1 7995486 UEDKLDUPENRLQY-UHFFFAOYSA-N 246.335 2.941 0 40 BFAB CCSc1nc2ccccc2c2nc(C)nn12 9939949 CCPVGWJWOWFLEG-UHFFFAOYSA-N 244.323 2.698 0 40 BFAB C[C@H]1CNC[C@@H](C)N1c1ccc(Cl)cc1 11632665 HUVPVGIAPTYLJP-AOOOYVTPSA-N 224.735 2.527 0 40 BFAB CC(C)c1cccc(O[C@H]2CCCNC2)c1 14631700 BHBWHZTTYBNONX-AWEZNQCLSA-N 219.328 2.941 0 40 BFAB CCCCNC(=O)COc1ccccc1Cl 14795890 QQBGAKNFOBWTIM-UHFFFAOYSA-N 241.718 2.635 0 40 BFAB O=C(c1ccsc1)N1CCc2ccccc2C1 22588480 YGWAVQJNEKPARF-UHFFFAOYSA-N 243.331 2.947 0 40 BFAB Cc1ccnc(NC(=O)Cc2cccc(F)c2)c1 27645811 HUXQGPSFSRUWNB-UHFFFAOYSA-N 244.269 2.710 0 40 BFAB COC(=O)CCCCCCCC[C@H](F)CO 34591793 ODBPCJAZFMVBOY-NSHDSACASA-N 234.311 2.611 0 40 BFAB CCc1ccc(-c2nn(C)c(N)c2CC)cc1 36916290 AEKIBFKCKYUTSN-UHFFFAOYSA-N 229.327 2.794 0 40 BFAB C[C@H](NC(=O)c1ccccc1F)c1cccnc1 37486586 VDJSIXZRIXLYNT-JTQLQIEISA-N 244.269 2.712 0 40 BFAB Cc1cc(C)cc(NC[C@@H](O)COC(C)C)c1 37880747 BKZQJQSDSPGDHA-CQSZACIVSA-N 237.343 2.501 0 40 BFAB Cc1[nH]c2c(Cl)cccc2c(=O)c1C 37947591 WTXKTFUXPMJFQQ-UHFFFAOYSA-N 207.660 2.798 0 40 BFAB in-vitro Cc1nc(-c2ccc(F)cc2)sc1CCO 41278333 CCCDFZMZBCVFQZ-UHFFFAOYSA-N 237.299 2.792 0 40 BFAB COc1cccc(-c2nc(N)sc2C)c1 41656401 VKYHLQQEHCPAKI-UHFFFAOYSA-N 220.297 2.709 0 40 BFAB COCc1ccc(Br)cc1F 49600919 BXSWVRGOODJFHS-UHFFFAOYSA-N 219.053 2.735 0 40 BFAB in-vitro CC(C)NC(=S)NC1(c2ccccc2)CCC1 53581009 CITABIMAIOPNJB-UHFFFAOYSA-N 248.395 2.938 0 40 BFAB CCSc1nnc(-c2cccnc2)n1C1CC1 58584189 OURCSXYXZGKWMB-UHFFFAOYSA-N 246.339 2.787 0 40 BFAB Oc1cccc2ccc(CCN3CCCC3)nc12 59474694 LZPHNCXJZDETNJ-UHFFFAOYSA-N 242.322 2.579 0 40 BFAB CCO[C@@H](CN)c1cccc(C(F)(F)F)c1 62711953 VPFWQLQLBCKLRR-JTQLQIEISA-N 233.233 2.742 0 40 BFAB Cc1cc(C(N)=O)sc1-c1ccc(F)cc1 69567260 BNKGCFJYSNZWBX-UHFFFAOYSA-N 235.283 2.962 0 40 BFAB in-vitro CCC(=O)NCc1cccc2ccccc12 70250845 FHOUWLZBMAEMHM-UHFFFAOYSA-N 213.280 2.866 0 40 BFAB CCNc1ccc([C@H]2CCCN2CC)cn1 72213066 RRRMCYJDEXKMIX-GFCCVEGCSA-N 219.332 2.670 0 40 BFAB Cc1cccc2ncnc(NC[C@@H]3CCCO3)c12 80761669 MXGGSPURUWIXQY-NSHDSACASA-N 243.310 2.529 0 40 BFAB Cc1cnc(Oc2ccccc2)c(N)c1 85426348 VBJYATVBXJJMIK-UHFFFAOYSA-N 200.241 2.765 0 40 BFAB Fc1c(Cl)nc(Cl)nc1C1CC1 91692455 DCOTWAMPYCFXDA-UHFFFAOYSA-N 207.035 2.800 0 40 BFAB COCC[C@H](N[C@@H](C)c1ccco1)C(C)C 96479344 FYNFGUQRUFBRRC-RYUDHWBXSA-N 225.332 2.991 0 40 BFAB COc1ccc(C)cc1[C@H](C)N[C@@]1(C)CCOC1 97038580 DGCUEFWNQLXXMC-WFASDCNBSA-N 249.354 2.833 0 40 BFAB CCCc1sc(-n2cccc2)nc1C(=O)O 97673682 RTKQKEBAAKXABJ-UHFFFAOYSA-N 236.296 2.585 0 40 BFAB c1ccc(-c2cnn(Cc3ccccn3)c2)cc1 98018804 YNXGDKQURGXQEO-UHFFFAOYSA-N 235.290 2.993 0 40 BFAB Cc1ccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 101209812 CWHJJRXWQHGXBU-BETUJISGSA-N 243.306 2.675 0 40 BFAB CCCn1nccc1CNCCc1ccccc1 159965907 HHAYFLGSZNYQKU-UHFFFAOYSA-N 243.354 2.625 0 40 BFAB O[C@@]1(C(F)(F)F)CCc2cccc(F)c21 221693574 FIFYVMJQIMNOJF-VIFPVBQESA-N 220.165 2.522 0 40 BFAB CNCc1cccn1-c1cc(C)ccc1C 223681269 LAHRCIQFXJCZFM-UHFFFAOYSA-N 214.312 2.814 0 40 BFAB CCN(c1ccc(C)c(Cl)c1)[C@@H](C)C(=O)O 224993027 LBIURFFGFBCODG-VIFPVBQESA-N 241.718 2.948 0 40 BFAB C/C=C/C(=O)c1cc(F)c(F)cc1OC 389309763 BHZPTWTVROLCFI-ONEGZZNKSA-N 212.195 2.732 0 40 BFAB CCCNC(=S)Nc1ccc2conc2c1 409203971 AIYYPSHXRMCAKC-UHFFFAOYSA-N 235.312 2.524 0 40 BFAB Cc1ccc(N[C@H]2CC[C@H]2O)c(Cl)c1 585298745 CHQPLUREDGYDHH-WDEREUQCSA-N 211.692 2.584 0 40 BFAB Cc1ccc(OCc2sccc2C)nn1 585652448 ZZQPWQITIBPTDT-UHFFFAOYSA-N 220.297 2.734 0 40 BFAB Cc1ccc(C(=O)N2CCC[C@@H](CF)C2)s1 881590935 BYHBFGKGQDEXCA-JTQLQIEISA-N 241.331 2.878 0 40 BFAB Cc1ccc2c3c(c(=O)oc2c1)CCCC3 1662615 IWWHCYMVNQBJLA-UHFFFAOYSA-N 214.264 2.980 0 40 BFAB Nc1ccc2c(c1)[C@H](O)c1cc(Cl)ccc1-2 1694582 WCNBDOGHDLNLCX-CYBMUJFWSA-N 231.682 2.984 0 40 BFAB O=C(O)/C=C/c1cc2ccccc2s1 2504900 MWQZBZCEEOGCLE-AATRIKPKSA-N 204.250 2.999 0 40 BFAB Cc1cc2nc(Cl)c3ccccc3n2n1 4218774 QIFCCQKLBWWJTJ-UHFFFAOYSA-N 217.659 2.844 0 40 BFAB in-vitro Cc1cc(-c2ccco2)c(C(=O)O)c(C)n1 5538655 YGOLYIKMEPBZFZ-UHFFFAOYSA-N 217.224 2.657 0 40 BFAB CCCNC(=O)c1oc2ccc(OC)cc2c1C 7310986 YULYMVOOFICMON-UHFFFAOYSA-N 247.294 2.890 0 40 BFAB O=C(O)[C@@H](Cc1ccco1)c1ccc(F)cc1 11588744 YANQZTBKCPDDFL-LBPRGKRZSA-N 234.226 2.830 0 40 BFAB COc1cc(OC)cc(C(=O)c2cccs2)c1 11631659 BORHKUYKSSTIFJ-UHFFFAOYSA-N 248.303 2.996 0 40 BFAB COc1ccc2nc(Cl)c([C@@H](C)O)cc2c1 11727528 IDCPSDSOCDVNKM-SSDOTTSWSA-N 237.686 2.950 0 40 BFAB CN(C)C=CC(=O)c1ccc(Cl)cc1 12340056 TWBABRJLWCBTBS-UHFFFAOYSA-N 209.676 2.598 0 40 BFAB CCc1cccc(NC(=S)NC(C)C)c1 13789194 BUYACBZUBCSRGI-UHFFFAOYSA-N 222.357 2.944 0 40 BFAB CC(=O)c1ccc2nc[nH]c3cccc1c23 18167026 FWCFFZJHXBVFMG-UHFFFAOYSA-N 210.236 2.919 0 40 BFAB O=C(O)c1ccccc1CCc1ccncc1 19735531 ZQMDQHXTINOIEI-UHFFFAOYSA-N 227.263 2.565 0 40 BFAB in-vitro N=C(N)c1ccc(Sc2ccccn2)cc1 19866477 IZTPBSMZNSJINA-UHFFFAOYSA-N 229.308 2.517 0 40 BFAB O=C(CCn1cccn1)Nc1cccc(Cl)c1 20602891 GAPPWMTVXUVZGA-UHFFFAOYSA-N 249.701 2.565 0 40 BFAB CCOc1ncccc1NC(=O)c1ccoc1C 27514819 GZSAGAKCYYLDCK-UHFFFAOYSA-N 246.266 2.634 0 40 BFAB CCCCC(=O)Nc1ccc(NC(=O)NC)cc1 32903369 DIDBUVWSWRGVBB-UHFFFAOYSA-N 249.314 2.567 0 40 BFAB CC(C)c1noc([C@H](C)N2CCC[C@H](C)C2)n1 44583682 HFWHMCDWWQQOCP-QWRGUYRKSA-N 237.347 2.986 0 40 BFAB Nc1cccnc1OCC1CCCCC1 52146146 GDORCDMNAFMNKU-UHFFFAOYSA-N 206.289 2.623 0 40 BFAB COC[C@H](C)Nc1cccc(SC)c1 53171945 XJTOFQGBLXBHDI-VIFPVBQESA-N 211.330 2.855 0 40 BFAB S=c1[nH]cccc1-c1nc(C2CC2)no1 67341068 IEIHLMNWAQMJFJ-UHFFFAOYSA-N 219.269 2.672 0 40 BFAB Cc1ccc(-c2cc(C3(CO)CC3)no2)cc1 72220643 XRHYPNNCTFLGLX-UHFFFAOYSA-N 229.279 2.674 0 40 BFAB C[C@H](O)c1ccc(N(C)c2ccccc2)nc1 72225322 GVUUAANPUVMBRX-NSHDSACASA-N 228.295 2.903 0 40 BFAB CCOc1cc(C(=O)O)cc2oc(C)cc12 72228315 CNWDFWMJWCHQEP-UHFFFAOYSA-N 220.224 2.838 0 40 BFAB Cc1cc(-c2csc(N)n2)c(F)cc1F 72312132 GVFNSJRXKXITSL-UHFFFAOYSA-N 226.251 2.979 0 40 BFAB in-vitro CC(C)C(=O)N1CCC[C@H](Cc2cccnc2)C1 72361262 XSGFYNSYPIDASA-CQSZACIVSA-N 246.354 2.519 0 40 BFAB COc1cc(F)c(C(=O)C2CC2)cc1F 83255690 DJCIYRIIVJWQGD-UHFFFAOYSA-N 212.195 2.566 0 40 BFAB Cc1ccc([C@H](C)C(=O)O)cc1Br 84551551 ZFZREIOXDNWEMC-ZETCQYMHSA-N 243.100 2.946 0 40 BFAB Cc1c(Br)ccc2cn[nH]c12 89200422 KOMFMFCJWBORHL-UHFFFAOYSA-N 211.062 2.634 0 40 BFAB C[C@H](O)[C@@H](O)C(c1ccccc1)c1ccccc1 96319149 UBXVULCUJFPOFQ-BLLLJJGKSA-N 242.318 2.560 0 40 BFAB O=C(O)C1CC2(C1)CC1(C2)SCCCS1 96527934 OUMZZBAHEQLYTA-UHFFFAOYSA-N 244.381 2.828 0 40 BFAB CC1(C)[C@@H](O)C[C@]23CCC[C@@](C)(C[C@@H](O)[C@H]12)C3 104310439 XUAASKRYNOBPBG-MIBAYGRRSA-N 238.371 2.725 0 40 BFAB COc1ccc(NC(=O)C(F)(F)F)cc1C 112022216 PWGUVWWEWFIMMH-UHFFFAOYSA-N 233.189 2.504 0 40 BFAB N[C@@H]1CCC[C@@H]1Nc1ccc(Cl)cc1 218681722 JVZLGJXRHMGGEX-MNOVXSKESA-N 210.708 2.632 0 40 BFAB Cc1ccc2c(c1)CC[C@@]2(O)C(F)(F)F 221664857 CVYDXNCDXYPLNL-JTQLQIEISA-N 216.202 2.691 0 40 BFAB CNCCCNc1ccnc2ccc(Cl)cc12 222678909 YZOYBSIXXIJDKD-UHFFFAOYSA-N 249.745 2.910 0 40 BFAB Cc1nc([C@H]2CCN(C(C)C)C2)c2sccn12 257287951 PSESOMSGLPJHRU-NSHDSACASA-N 249.383 2.902 0 40 BFAB Cc1cc2ncn(C(=O)C(F)(F)F)c2cc1C 369113 ZSKUZLKJORKIIQ-UHFFFAOYSA-N 242.200 2.856 0 40 BFAB CNc1ccc(OC(F)(F)Cl)cc1 1075962 QCGPOSZVNYECRG-UHFFFAOYSA-N 207.607 2.896 0 40 BFAB NC(=O)CC1CCC(c2ccccc2)CC1 1687139 ZZPUKBZMALXNLL-UHFFFAOYSA-N 217.312 2.836 0 40 BFAB CN(C[C@@H](O)c1ccccc1)C1CCCCC1 2639036 DGCMNNHUFJQQSR-OAHLLOKOSA-N 233.355 2.985 0 40 BFAB OCCCc1cc(-c2ccc(Cl)cc2)n[nH]1 4301702 LCSHOKGEMMNVDH-UHFFFAOYSA-N 236.702 2.655 0 40 BFAB CCc1c(C(=O)O)[nH]c2ccc(F)cc12 4384233 MQEQTBNFWHGSRJ-UHFFFAOYSA-N 207.204 2.568 0 40 BFAB CC(=O)C(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 5004902 NLPHDTMWKOYKFS-MVWJERBFSA-N 226.316 2.579 0 40 BFAB Cc1cccc(C)c1OCC(=O)N1CCCCC1 5419792 RAMZDSYXODJBJT-UHFFFAOYSA-N 247.338 2.695 0 40 BFAB Cc1ccc(CN(C)C(=O)NC2CC2)c(C)c1 12981165 CUKSQODTYKTNBV-UHFFFAOYSA-N 232.327 2.607 0 40 BFAB CCC[C@H](Oc1cccc(Cl)c1)C(=O)O 15418143 GCABZLBHCQNGQF-JTQLQIEISA-N 228.675 2.972 0 40 BFAB Cc1cc(C(F)(F)F)n2ncc(Cl)c2n1 20615877 YYQZUXNORARXTG-UHFFFAOYSA-N 235.596 2.710 0 40 BFAB COC(=O)c1cc2c(OC(F)F)cccc2[nH]1 22154589 MEZRFPSSHFZRLO-UHFFFAOYSA-N 241.193 2.556 0 40 BFAB CN(Cc1ccco1)C(=O)c1cc(Cl)c[nH]1 32820575 ZBGFQYYBTOTAAD-UHFFFAOYSA-N 238.674 2.533 0 40 BFAB CC[C@]1(C)OC(=O)N(Cc2ccccc2)[C@]1(C)O 35327535 MUMVWDVYJBOAQP-UONOGXRCSA-N 249.310 2.516 0 40 BFAB CCCC(=O)NCCc1c[nH]c2ccc(C)cc12 36612220 AWZPIYVHOUSKDC-UHFFFAOYSA-N 244.338 2.935 0 40 BFAB CCn1c(CCCN)nc2cc(Cl)ccc21 37440433 WYKTYPMZYFYYHE-UHFFFAOYSA-N 237.734 2.601 0 40 BFAB O=C1CCCC[C@@H]1C(=O)c1cccs1 38193344 ALPXVBJYDYHXST-QMMMGPOBSA-N 208.282 2.690 0 40 BFAB CC(=O)c1cc(Br)c(C)cc1N 39111057 QLKDROCPSWLPCY-UHFFFAOYSA-N 228.089 2.542 0 40 BFAB COc1ccc(C)cc1[C@@H](O)c1ccco1 40264166 IVKNLEWLCYJDGC-CYBMUJFWSA-N 218.252 2.678 0 40 BFAB O=C(O)c1cccnc1-c1ccc(F)c(F)c1 41265009 ORRARRKRWPEVGY-UHFFFAOYSA-N 235.189 2.725 0 40 BFAB CC(C)C(=O)N1C[C@H](c2ccccc2)O[C@H](C)C1 41421366 NWYKBEGZNZJPER-TZMCWYRMSA-N 247.338 2.631 0 40 BFAB CCCC(C)(C)NC(=O)c1ccc2c(c1)CCO2 50497712 DKAPMEYRBZIDDI-UHFFFAOYSA-N 247.338 2.930 0 40 BFAB CCN1CCC[C@H]1c1cccnc1NC1CC1 72213710 DYSWJCJBFNZTGU-ZDUSSCGKSA-N 231.343 2.813 0 40 BFAB CNCc1ccc(N(C)c2ccccc2)nc1C 72224396 DXPKLGANMRWODH-UHFFFAOYSA-N 241.338 2.877 0 40 BFAB CCC[C@](C)(O)c1ccc(OC)cc1OC 86336501 ZEBDLIPVROCQKD-ZDUSSCGKSA-N 224.300 2.711 0 40 BFAB Cc1ccccc1-n1ncc2c1CCCC2=O 87861671 SZBMZUBCXNPXAA-UHFFFAOYSA-N 226.279 2.700 0 40 BFAB CCO[C@H](C)c1nccn1Cc1c(C)noc1C 89521540 TXPBWXJBLQJVBH-LLVKDONJSA-N 249.314 2.634 0 40 BFAB O=C(O)CN1CCC[C@@H]1c1ccccc1Cl 89813482 QXKBEWDIDQYACI-LLVKDONJSA-N 239.702 2.562 0 40 BFAB CC(C)COc1c(F)cc(F)cc1CCO 95732038 KMYQXTVQIQHAJO-UHFFFAOYSA-N 230.254 2.534 0 40 BFAB CCn1c(-c2csnn2)nc2ccc(F)cc21 96001585 IFNZHACXIBTZFE-UHFFFAOYSA-N 248.286 2.714 0 40 BFAB CCOC(=O)c1[nH]c2c(C)ccc(OC)c2c1C 96345921 JTPONYCLICSPOC-UHFFFAOYSA-N 247.294 2.970 0 40 BFAB O=c1ccccn1CCc1ccccc1Cl 98016373 CFAOXWYAKQNXFO-UHFFFAOYSA-N 233.698 2.744 0 40 BFAB FC(F)(F)c1ccc([C@@]23CNC[C@H]2C3)cc1 100008996 IWDGZABFNGRZPF-GHMZBOCLSA-N 227.229 2.566 0 40 BFAB C[Si](C)(C)c1c(F)cc(F)cc1F 196118642 GUXKMBDCQVQNDN-UHFFFAOYSA-N 204.267 2.649 0 40 BFAB CCNC(=O)c1cc2cc(Cl)ccc2o1 198349819 HSPGAXWSJSFZDD-UHFFFAOYSA-N 223.659 2.836 0 40 BFAB CC(=O)c1cc(Cl)c(N)cc1Cl 199543938 OUBPURNDWJMCRU-UHFFFAOYSA-N 204.056 2.778 0 40 BFAB CC1CC(c2cc(C(F)(F)F)n[nH]2)C1 242649299 SAFWKUXTACNTIR-UHFFFAOYSA-N 204.195 2.942 0 40 BFAB CC[C@H](C)n1nccc1CNc1cnn(CC)c1 256049537 AJHUTSJLJBAJAG-NSHDSACASA-N 247.346 2.683 0 40 BFAB O=Cc1nc2n(c1Cc1ccccc1)CCCC2 575444766 LXFGDTVEWRJVMO-UHFFFAOYSA-N 240.306 2.623 0 40 BFAB Cc1csc(OCC2CC(F)(F)C2)n1 585651620 FTWQUTMISZZISS-UHFFFAOYSA-N 219.256 2.876 0 40 BFAB O=C(c1cccnc1Cl)N1CCCCCC1 484252 FNTRKDKOYDHUTN-UHFFFAOYSA-N 238.718 2.751 0 40 BFAB C[C@@H]1O[C@@H](C)O[C@H]2c3ccccc3C[C@H]12 3995522 SHWFPOIJJLMZKA-ZFWZSOMGSA-N 204.269 2.681 0 40 BFAB CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H](O)CCC[C@]12C 4825984 RRFARTUDYDSMBW-AUZPSNTRSA-N 226.360 2.725 0 40 BFAB COc1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1Cl 5463857 NFJNXCKNGOHUAQ-CBAPKCEASA-N 239.702 2.943 0 40 BFAB CCCCOc1ccccc1CCCN 8728876 MYEHMKYKSXMCAB-UHFFFAOYSA-N 207.317 2.757 0 40 BFAB Cc1ccc(C)c(COC(=O)c2cccn2C)c1 8944315 CVGHXQUBIBQUFZ-UHFFFAOYSA-N 243.306 2.999 0 40 BFAB COc1ccc(CCC2CCN(C)CC2)c(O)c1 12159779 FAVSGDOXVGJUDB-UHFFFAOYSA-N 249.354 2.675 0 40 BFAB Cc1ccccc1[C@@H](C)Nc1ncccn1 12973160 FNEDIZFUAULTCJ-LLVKDONJSA-N 213.284 2.958 0 40 BFAB CC(=O)c1ccc(O)c(CC=C(C)C)c1O 13108272 HUEWXRMYZUGMME-UHFFFAOYSA-N 220.268 2.809 0 40 BFAB biogenic O=C(O)c1cccc2c(C(F)(F)F)ccnc12 16159954 LJLOIOVSOLZOAZ-UHFFFAOYSA-N 241.168 2.952 0 40 BFAB CC[C@@H](C)OC(=O)c1cc(Cl)ccc1N 20155166 SONYNQLFWYUXRO-SSDOTTSWSA-N 227.691 2.878 0 40 BFAB Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2C)cc1N 22163497 YYGFAZHNTCCNPX-FZMZJTMJSA-N 246.354 2.886 0 40 BFAB O=C(NC1CC1)c1csc2ccccc12 25951524 HUIRXUAIZWCFJP-UHFFFAOYSA-N 217.293 2.794 0 40 BFAB C[C@H](NC(=O)c1cccs1)c1ccncc1 27405160 MNVBJUZCFHXFDD-VIFPVBQESA-N 232.308 2.634 0 40 BFAB Cc1sc2ncnc(-c3cncnc3)c2c1C 32516041 HFULUWCIRRKDOB-UHFFFAOYSA-N 242.307 2.765 0 40 BFAB O=c1[nH]c2c(s1)C=C1[C@H]3CC[C@H](C3)[C@H]1S2 32597689 QBGACPFAZOJJRC-CCGCGBOQSA-N 237.349 2.724 0 40 BFAB CCC(CC)NC(=O)N[C@H](C)c1ccccn1 32809181 WXKVNWFDUBVEFC-SNVBAGLBSA-N 235.331 2.630 0 40 BFAB O=C(c1ccc2c(c1)OCO2)C1CCCC1 36159650 OUMNCGIWUSMFAV-UHFFFAOYSA-N 218.252 2.788 0 40 BFAB CC(C)Oc1ccc(NC(=O)NC2CC2)cc1 36179047 WXMMGRHKVFBQGZ-UHFFFAOYSA-N 234.299 2.758 0 40 BFAB COc1cccc(-c2c[nH]c([C@@H]3CCCN3)n2)c1 36874158 NCHRRFRADCWDCF-LBPRGKRZSA-N 243.310 2.510 0 40 BFAB in-vitro COc1cccc(-c2c[nH]c([C@H]3CCCN3)n2)c1 36874159 NCHRRFRADCWDCF-GFCCVEGCSA-N 243.310 2.510 0 40 BFAB in-vitro CCCCO[C@@H](C(=O)O)c1ccccc1 37093089 HISYJBCEQBWADD-LLVKDONJSA-N 208.257 2.629 0 40 BFAB CC[C@@H](Oc1ccccc1C)C(=O)NCC(C)C 38753841 MRRQOWRSJOHLIC-CYBMUJFWSA-N 249.354 2.925 0 40 BFAB Cc1noc(CN(Cc2cccs2)C2CC2)n1 45007336 OFQARCOSVBWVRA-UHFFFAOYSA-N 249.339 2.604 0 40 BFAB COc1ccc(-c2cncc(C(=O)O)c2)c(C)c1 49628927 IRXSIXMNWNRLAN-UHFFFAOYSA-N 243.262 2.764 0 40 BFAB in-vitro Cc1nc2c(F)cc(F)cc2c(N)c1C 50870719 RUDYUKPCMIVOHG-UHFFFAOYSA-N 208.211 2.712 0 40 BFAB C[C@@H](NC1(CN)CCCC1)c1ccccc1 60279992 YANPMOTVPRGJPN-GFCCVEGCSA-N 218.344 2.609 0 40 BFAB in-vitro CN(C)C(=O)CCc1ccc(C(F)(F)F)cc1 69699690 VYUWBMLPLOXVRO-UHFFFAOYSA-N 245.244 2.726 0 40 BFAB Cc1ccccc1[C@](C)(CO)N1CCCCC1 70453407 XLODEUOVDNKETI-HNNXBMFYSA-N 233.355 2.688 0 40 BFAB O=Cc1ccc2cccnc2c1Br 72206545 XEZNEPBUZQWCTJ-UHFFFAOYSA-N 236.068 2.810 0 40 BFAB COc1ncc([C@@H]2CCCN2C(C)C)cc1C 72217720 HAWDKJNRBZIGBP-ZDUSSCGKSA-N 234.343 2.944 0 40 BFAB Cc1cc(CO)cnc1N(C)c1ccccc1 72222295 BKQRBXDJCKBWLC-UHFFFAOYSA-N 228.295 2.650 0 40 BFAB CC(C)CC(=O)N1CCCC[C@@H]1c1cnccn1 72361275 VADKTZRTGFMYMB-CYBMUJFWSA-N 247.342 2.576 0 40 BFAB COC(=O)c1ccc(-c2cccc(N)c2C)o1 73640358 GEKYNLSQMCOQAR-UHFFFAOYSA-N 231.251 2.624 0 40 BFAB COc1cccc(COC(=O)C2CCCCC2)n1 75611029 JKXALHWRPOTQGU-UHFFFAOYSA-N 249.310 2.714 0 40 BFAB Oc1c(Br)cc(F)c(F)c1F 75882633 SXAKIHNLNIYLOL-UHFFFAOYSA-N 226.979 2.572 0 40 BFAB CC(C)CC(=O)Nc1n[nH]c2cccc(F)c12 82277301 RNAHCAMAWPSNCM-UHFFFAOYSA-N 235.262 2.687 0 40 BFAB Cc1ccc(OC(F)(F)F)cc1/C=C/C(=O)O 91252113 JVYBXYXIWXGYJQ-HWKANZROSA-N 246.184 2.991 0 40 BFAB CC(C)N1CCC2(CC1)CNc1ccc(F)cc12 96261812 NINMEGUQZKMUPM-UHFFFAOYSA-N 248.345 2.993 0 40 BFAB COc1ccc(C)nc1NC(=O)c1ccsc1 98016204 LZWRJJKYBMLBRH-UHFFFAOYSA-N 248.307 2.712 0 40 BFAB CCOC[C@@H]1C(=O)[C@]2(C)CC[C@@H]1C2(C)C 100366324 SMFWSVXVEULEDG-KWBADKCTSA-N 210.317 2.664 0 40 BFAB CC(=O)OC[C@]12CC=C(C)[C@@H]([C@H](C)OC1)[C@@H]2C 101553772 KSCMOJQRHWGLDT-VTPLQMEGSA-N 238.327 2.557 0 40 BFAB C/N=c1/scc(-c2c[nH]c3ccccc23)n1C 102632900 LPRBKQIUVLWERN-BUHFOSPRSA-N 243.335 2.765 0 40 BFAB Cc1ccc(CN2CCN[C@@H]3CCCC[C@H]32)cc1 218829651 VHXZCDVILTXYHM-HZPDHXFCSA-N 244.382 2.711 0 40 BFAB CCCN(c1cccc(C)c1)[C@@H](C)C(=O)O 224981115 PEQGFMLPJWJUFV-NSHDSACASA-N 221.300 2.685 0 40 BFAB CCCCNCc1ccc(CCC)n1C 226020671 SIDPFCUGZUSBRP-UHFFFAOYSA-N 208.349 2.867 0 40 BFAB CCCCO[C@H](C)OCCOCC(F)(F)F 1083809096 DBBNOYFDZRCVIL-VIFPVBQESA-N 244.253 2.745 0 40 BFAB CCN(CC)C(=O)n1cnc2cc(C)c(C)cc21 152109 FVQHLZLJULXAGA-UHFFFAOYSA-N 245.326 2.963 0 40 BFAB C[n+]1ccc(Sc2ccccc2)cc1 158313 DKSDMCYHJRHUOU-UHFFFAOYSA-N 202.302 2.662 0 40 BFAB CCN(CC)C(=O)COc1cc(C)ccc1C 508860 NKSKGHMQHDRYFU-UHFFFAOYSA-N 235.327 2.551 0 40 BFAB Oc1c(-c2ccccc2)sc2cccc[n+]12 1567422 QATLDNWNHCIBKT-UHFFFAOYSA-O 228.296 2.859 0 40 BFAB CCC[C@H](C)OC(=O)c1cccc(N)c1 2042500 AABCCFODYAMHSW-VIFPVBQESA-N 207.273 2.614 0 40 BFAB CNC(=N)COc1cc(Cl)ccc1Cl 3163869 AETZXARXVDZMDO-UHFFFAOYSA-N 233.098 2.569 0 40 BFAB CCN[C@H]1C[C@H](C(C)(C)NCC)CC=C1C 5807780 KGDIPINWNMVFFO-OLZOCXBDSA-N 224.392 2.709 0 40 BFAB CC[C@H](C)NC(=S)Nc1ccccc1F 7557202 YDXXLJAJPGUZEJ-QMMMGPOBSA-N 226.320 2.911 0 40 BFAB c1ccc(CCN2CCCCCC2)nc1 8581535 MDIWFIMZFDGRPW-UHFFFAOYSA-N 204.317 2.500 0 40 BFAB in-vitro Cc1ccsc1/C=C\C1=NCCCN1C 13704188 NVEPPWDVLBMNMB-PLNGDYQASA-N 220.341 2.804 0 40 BFAB CC1=NN=C2SC(c3cccc(Cl)c3)=N[C@H]12 15423946 YSADDDPKNJYXML-SECBINFHSA-N 249.726 2.990 0 40 BFAB Cc1cccc(NC(=O)c2ccc(C)c(N)c2)n1 19811722 ZTHAUTYIMJBRQT-UHFFFAOYSA-N 241.294 2.533 0 40 BFAB C[C@H]1CCCN(c2ccc(N)cc2F)C1 20135724 WOKGGVUHTIXNEK-VIFPVBQESA-N 208.280 2.644 0 40 BFAB Cc1[nH]c2cccc(Cl)c2c1CCN 20269408 GHMVRJKXQSBICU-UHFFFAOYSA-N 208.692 2.631 0 40 BFAB CCN(C(=O)c1ccncc1)C1CCCCC1 32902886 ZQCISDWUIKOJCA-UHFFFAOYSA-N 232.327 2.876 0 40 BFAB COc1ccccc1-c1nc(C(=O)O)cs1 34613480 CUVKRPUNVDDPKG-UHFFFAOYSA-N 235.264 2.517 0 40 BFAB in-vitro CC(C)=CCN1CCN(Cc2ccccc2)CC1 39987666 SOZBAZUSGYHXFT-UHFFFAOYSA-N 244.382 2.770 0 40 BFAB CS[C@@H](C)C(=O)N[C@H](C)c1ccccc1C 42828798 WPRVRMDTLNMXSH-MNOVXSKESA-N 237.368 2.924 0 40 BFAB CC(=O)N[C@@H](C)c1cccc(Br)c1 44316746 GHEDNSLOXLEUKX-ZETCQYMHSA-N 242.116 2.646 0 40 BFAB COC(=O)Nc1ccc(NC(=O)C=C(C)C)cc1 46527497 MXXOXAKMMIBXHG-UHFFFAOYSA-N 248.282 2.770 0 40 BFAB Cc1cccc(C)c1-n1nnnc1SC(C)C 48397821 UIDNKFNQTPEOQQ-UHFFFAOYSA-N 248.355 2.780 0 40 BFAB CC[C@@H](O)Cc1ccc(N(CC)CC)cc1 58001540 JPTARWNNUMSUSM-CQSZACIVSA-N 221.344 2.846 0 40 BFAB OCc1ccc(-c2ccccc2O)cc1 65339934 JOIXFQFMZTYWIQ-UHFFFAOYSA-N 200.237 2.552 0 40 BFAB CC[C@H](C)CN(CC)Cc1cnc(C)cn1 79014201 KCHWGPQZIFBQPK-NSHDSACASA-N 221.348 2.653 0 40 BFAB Oc1cc(-c2cccc(Br)c2)on1 83134599 MRWUKXXQCLVGJP-UHFFFAOYSA-N 240.056 2.810 0 40 BFAB CCc1nnc([C@H](C)N[C@H]2CCCC[C@@H]2C)o1 89296217 DCAJHUPVPJKRRP-DCAQKATOSA-N 237.347 2.861 0 40 BFAB COCc1noc(C2CCCCCC2)n1 89420416 IBNJUYSADOCOQB-UHFFFAOYSA-N 210.277 2.654 0 40 BFAB O=C(C1CCCC1)N1C[C@H]2CCCC[C@@H]2C1 89817991 ADDRGZGFIJDINB-CHWSQXEVSA-N 221.344 2.825 0 40 BFAB C[C@@H]1CCC[C@@H](OCC(=O)N2CCCCC2)C1 89927338 AMKNCCICPVHDHK-CHWSQXEVSA-N 239.359 2.594 0 40 BFAB CC(=O)N[C@H](c1cc(F)ccc1F)C1CC1 95403708 WOYWMMNCJIRIIL-LBPRGKRZSA-N 225.238 2.552 0 40 BFAB CC(C)N1CCC(Oc2ccccc2N)CC1 96526675 JIQNAFFUDXWPCD-UHFFFAOYSA-N 234.343 2.520 0 40 BFAB COc1ccc([S@](=O)CC2CCCC2)cc1 97033801 LWCAJVKTTNVMAR-INIZCTEOSA-N 238.352 2.993 0 40 BFAB O=C1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]12 98095831 HUVMTUHDOBCRJI-LSDHHAIUSA-N 243.350 2.878 0 40 BFAB in-vitro CC12C[C@H]3C[C@H](C1)CC(O[N+](=O)[O-])(C3)C2 100018209 CWLRKOZVJDLYMK-NKVNRFPTSA-N 211.261 2.554 0 40 BFAB Cc1ccc([C@H](C)NC(=O)C2CC2)cc1C 138817176 YELGRPKMBZGAJV-NSHDSACASA-N 217.312 2.891 0 40 BFAB CCCn1nccc1CNCc1cccs1 164827616 PWDRZZGOIXQSOS-UHFFFAOYSA-N 235.356 2.644 0 40 BFAB C[C@@H](O)c1ccc(C2(CN)CCCC2)s1 409421882 GMLMRNKCDUSLDN-SECBINFHSA-N 225.357 2.572 0 40 BFAB COc1cc(C(F)F)cc(OC)c1OC(C)=O 575629400 VQRAVFSNFMKRBE-UHFFFAOYSA-N 246.209 2.567 0 40 BFAB Cc1ccccc1-c1cnc([C@H]2CCCN2)cn1 616575117 GCVRZKOAWZEIEM-CYBMUJFWSA-N 239.322 2.877 0 40 BFAB O=Cc1ccc(OCc2ccccc2O)cc1 568655 YHTSGWKBCPXVND-UHFFFAOYSA-N 228.247 2.784 0 40 BFAB c1nnsc1SC1CCCCC1 1388133 LSFDQQCRPGSCEO-UHFFFAOYSA-N 200.332 2.963 0 40 BFAB in-vitro CCOC(=O)c1c(C)c(C(C)=O)c2ccccn12 1591192 MVWRSFQRZVNNPK-UHFFFAOYSA-N 245.278 2.627 0 40 BFAB C[C@@]1(c2ccccc2)CCCC[C@H]1OC(N)=O 1628106 ACCLPWAXDNXWOT-OCCSQVGLSA-N 233.311 2.982 0 40 BFAB NCCCSc1ccc(Br)cc1 1714515 QCLKHASSWHZPQC-UHFFFAOYSA-N 246.173 2.890 0 40 BFAB Cc1noc(COc2ccccc2O)c1Cl 3163737 INURZWWSOYDHKJ-UHFFFAOYSA-N 239.658 2.921 0 40 BFAB c1cc2c(cc1[C@H]1CCCCCN1)OCO2 3734983 WYMGDSKJVNFXPB-LLVKDONJSA-N 219.284 2.620 0 40 BFAB O=C(O)c1ccccc1NC(=O)C1CCCC1 4666859 CRSMVTGVZVZHEY-UHFFFAOYSA-N 233.267 2.514 0 40 BFAB CC(C)c1nnnn1C12CC3CC(CC(C3)C1)C2 5052716 JOLLRSUOWRERSF-UHFFFAOYSA-N 246.358 2.722 0 40 BFAB CC1CCN(C(=O)c2ccccc2F)CC1 5416749 ZUOUPMRPDVWTSP-UHFFFAOYSA-N 221.275 2.698 0 40 BFAB CCC(=O)Nc1nc(-c2ccncc2)cs1 6309331 TWRUMGTYLIUUKV-UHFFFAOYSA-N 233.296 2.554 0 40 BFAB COCc1ccc(C(=O)NC2CCCCC2)cc1 7399894 FNKUBZJSJGXMJV-UHFFFAOYSA-N 247.338 2.896 0 40 BFAB CCC[C@H](Nc1cccc(C)c1)C(=O)O 8702782 NIGPTZANIBHQAE-NSHDSACASA-N 207.273 2.660 0 40 BFAB Cc1cc(C)nc(Nc2nc3ccccc3o2)n1 8972014 FUZSURLWERISAS-UHFFFAOYSA-N 240.266 2.978 0 40 BFAB Cc1ccc(NC(=O)c2c(C)nn(C)c2C)cc1 12902604 UQXZDMYOZKNEQW-UHFFFAOYSA-N 243.310 2.598 0 40 BFAB CCOC(=O)[C@@H](C)Cc1c[nH]c2ccccc12 14517528 VNYVSHODDXWJGI-JTQLQIEISA-N 231.295 2.910 0 40 BFAB biogenic CCc1ccc(NC(=O)Nc2ccon2)cc1 15952170 DUYZDWUYRVALKD-UHFFFAOYSA-N 231.255 2.881 0 40 BFAB O=C(O)[C@H]1CCc2sc(-c3ccccc3)nc21 17192279 AEAIEXCUUWOBJH-VIFPVBQESA-N 245.303 2.925 0 40 BFAB Nc1cc(NC(=O)c2cccs2)ccc1F 20157463 GVFWVVLFQGXCNW-UHFFFAOYSA-N 236.271 2.722 0 40 BFAB Cc1cnc(Cl)n1Cc1ccccc1 22126138 SGEVRDFNXSUGLN-UHFFFAOYSA-N 206.676 2.893 0 40 BFAB OC[C@@H](Nc1ccccc1)c1ccccc1 26897327 SZYXTSZZPUQJNB-CQSZACIVSA-N 213.280 2.832 0 40 BFAB in-vitro CC[C@H](C)NC[C@@H](O)c1ccc2c(c1)CCCC2 27637698 GVNYSERWAKVROD-BLLLJJGKSA-N 247.382 2.987 0 40 BFAB investigational COc1ccc(F)cc1[C@H](O)c1cccs1 40258443 TUOILQSZBFORMR-LBPRGKRZSA-N 238.283 2.978 0 40 BFAB CC(C)Cc1noc(CN2CCCC[C@H]2C)n1 40490050 CIPXVKBTBGAKAF-LLVKDONJSA-N 237.347 2.643 0 40 BFAB Cc1ccc(NC(=O)CC[C@H]2CCCO2)cc1 40505850 VZHDOAUYENSMAG-CYBMUJFWSA-N 233.311 2.893 0 40 BFAB Fc1ccc(-c2nsc(Cl)n2)cc1 43220551 QVRAGNQDINFGNY-UHFFFAOYSA-N 214.652 2.998 0 40 BFAB in-vitro C[C@H](NC(=O)C[C@@H]1C=CCC1)c1cccnc1 48325885 VMZKWCPJZLLYPZ-NWDGAFQWSA-N 230.311 2.615 0 40 BFAB C1=CO[C@H](CNc2ccc3[nH]ncc3c2)CC1 50268330 GHGFCMNPYOAAEJ-LBPRGKRZSA-N 229.283 2.668 0 40 BFAB CCNCc1cc(-c2ccc(C)c(C)c2)n[nH]1 50479033 OHSDMSHQNQMDQD-UHFFFAOYSA-N 229.327 2.803 0 40 BFAB CNC[C@H](C)Oc1ccc(C(F)(F)F)cc1 52599799 DMBREKGAKRUTNT-QMMMGPOBSA-N 233.233 2.692 0 40 BFAB c1cc(-c2csc(C3CCNCC3)n2)ccn1 53252413 VRGIXQWVWDOEAL-UHFFFAOYSA-N 245.351 2.672 0 40 BFAB in-vitro Cc1ccc(CC(=O)Nc2cccnc2)s1 57030058 VQHLJEHHASEAGB-UHFFFAOYSA-N 232.308 2.633 0 40 BFAB Cc1cc(C)cc(C(=O)Nc2ncccc2O)c1 57632422 HEDIHFBRWMAOJN-UHFFFAOYSA-N 242.278 2.656 0 40 BFAB C[C@@H](NCC1CCCC1)[C@@H](C)n1cccn1 69967294 ITHGLNIQENGJDS-VXGBXAGGSA-N 221.348 2.612 0 40 BFAB O[C@H](C[C@H]1CCCCCN1)c1cccs1 72314401 QWXLNLHPFKERAM-GHMZBOCLSA-N 225.357 2.704 0 40 BFAB in-vitro COc1ccc(CC(=O)NCCC(C)C)cc1C 74959662 XRWUMCFQGNYGED-UHFFFAOYSA-N 249.354 2.708 0 40 BFAB CC[C@@H](C)[C@H](C)NC(=O)c1cc(C2CC2)on1 84721585 LRXYMLGLSWNQKI-BDAKNGLRSA-N 236.315 2.716 0 40 BFAB COc1ccc(-c2[nH]ncc2C)cc1C 85395291 XOGMAFWAGMBWIA-UHFFFAOYSA-N 202.257 2.702 0 40 BFAB Oc1ccc(O)c2nc(C(F)(F)F)ccc12 91362334 JOUKLKBSYSRSHA-UHFFFAOYSA-N 229.157 2.665 0 40 BFAB CC(C)(C)C(=O)Nc1ccc(C2CC2)nc1 91690511 SXHNGUCNLNARHJ-UHFFFAOYSA-N 218.300 2.944 0 40 BFAB CCCc1n[nH]c(S[C@H](C)C(F)(F)F)n1 95427351 VIMLJEZHQAARMR-RXMQYKEDSA-N 239.266 2.800 0 40 BFAB Cc1cc(OCC(C)C)cc(C)c1CO 95739726 GZCWRMHELIKXHG-UHFFFAOYSA-N 208.301 2.831 0 40 BFAB CC[C@H](C)N1CCc2ncnc(C3CC3)c2CC1 96255119 JBWJSDDUKBXMSK-NSHDSACASA-N 245.370 2.553 0 40 BFAB CCn1c(C)nc2cncc(Br)c21 96311287 LHYFNIBHNQBMRJ-UHFFFAOYSA-N 240.104 2.522 0 40 BFAB C[C@@H](c1ccccn1)N(C)Cc1cncs1 97058757 FZUHMAYEVUJOKB-JTQLQIEISA-N 233.340 2.731 0 40 BFAB Nc1ccc([C@@H]2C[C@H]2C(F)(F)F)cc1 98091184 QFLSUYZZQRPEQH-DTWKUNHWSA-N 201.191 2.935 0 40 BFAB Cc1ccc(C2=N[C@@H]3C=NN=C3S2)cc1Cl 100012016 CXVHPFMXISYYTG-SECBINFHSA-N 249.726 2.908 0 40 BFAB CCOC(=O)[C@H](Cc1ccc(C)cc1)OCC 165420907 RSJYKRXATHYOFS-ZDUSSCGKSA-N 236.311 2.506 0 40 BFAB CCCCOCc1ccnn1CC(F)(F)F 408716805 RDLRJTVNWVIQGM-UHFFFAOYSA-N 236.237 2.762 0 40 BFAB Cc1nccc(O[C@H]2CCc3ccccc32)n1 585651774 HDTRGQMRHIUNDX-ZDUSSCGKSA-N 226.279 2.851 0 40 BFAB Cc1cc(N2CCC[C@@H](CF)C2)nc(C2CC2)n1 882801066 BYGAMUKYTMGHLS-NSHDSACASA-N 249.333 2.848 0 40 BFAB CC1(C)Cc2cc3c(cc2C(=O)N1)CCCC3 1438920 NKLBFCSDOHEICA-UHFFFAOYSA-N 229.323 2.630 0 40 BFAB CC[C@H](C)c1ccccc1OC[C@H](C)O 1640787 OGBFCLDMRJRDJH-QWRGUYRKSA-N 208.301 2.960 0 40 BFAB COc1ccc(OC)c2sc(Cl)nc12 2455722 HHZVUGPLXAGVOJ-UHFFFAOYSA-N 229.688 2.967 0 40 BFAB in-vitro Clc1nc2cc3c(cc2s1)OCO3 2455725 WZRZVJFFQLMHCP-UHFFFAOYSA-N 213.645 2.678 0 40 BFAB CC(C)/C=C\[C@@H](C)C(=O)CC(=O)OC(C)C 5082955 MZEAWAJQXIIKCI-JMEBYUIHSA-N 226.316 2.746 0 40 BFAB CC(C)C[C@](O)(c1ccccc1)C(C)(C)O 5380766 IYLBVGRIPMUCRT-AWEZNQCLSA-N 222.328 2.691 0 40 BFAB CCOc1ccc(CN[C@H](C)CC)cc1 5907281 GNIRZOIMFGUMHK-LLVKDONJSA-N 207.317 2.973 0 40 BFAB Cc1ccc(CC(=O)N2CCC[C@H](C)C2)cc1 6478891 LZCRPEINWQFTNV-ZDUSSCGKSA-N 231.339 2.796 0 40 BFAB Cc1nc2cc(NC(=S)NC3CC3)ccc2o1 8083718 NLQYJECGFHBZAP-UHFFFAOYSA-N 247.323 2.585 0 40 BFAB O=C(Nc1ccncc1)c1ccc2ccccc2n1 8728760 NNSMVINBYLSQHF-UHFFFAOYSA-N 249.273 2.882 0 40 BFAB Cc1ccc(F)cc1C(=O)Nc1ccccn1 9338628 BLWYPLWAIISNPN-UHFFFAOYSA-N 230.242 2.781 0 40 BFAB Cc1ccc([C@H](Cc2ccco2)C(=O)O)cc1 11588873 AYCXTNSWTGBGJR-ZDUSSCGKSA-N 230.263 2.999 0 40 BFAB Fc1ccc(-c2nnc(-c3ccccn3)o2)cc1 20717786 LEPBEIQUHPCEFI-UHFFFAOYSA-N 241.225 2.938 0 40 BFAB C[C@@H](CNCc1ccccc1)N1CCCCC1 22073580 OMRDQGFKLZHQKN-AWEZNQCLSA-N 232.371 2.651 0 40 BFAB N=C(N)Nc1cccc(OCc2ccccc2)c1 26637684 FDLXZFWWHUOYOB-UHFFFAOYSA-N 241.294 2.571 0 40 BFAB O=C(O)Cc1c[nH]c2cccc(C(F)(F)F)c12 26894244 UXRJBWIYZWRBBW-UHFFFAOYSA-N 243.184 2.814 0 40 BFAB CC(C)CCNC(=O)c1cc(F)cc(F)c1 28210537 RRWOCCNKAUDZLU-UHFFFAOYSA-N 227.254 2.741 0 40 BFAB C[C@H](Sc1nccn1C)C(=O)c1ccccc1 35182491 GHRVGEVBRBYNHY-JTQLQIEISA-N 246.335 2.784 0 40 BFAB CC(C)CNc1ccc(C(N)=O)c(Cl)c1 37121238 PLPVJQOKIPGXBL-UHFFFAOYSA-N 226.707 2.507 0 40 BFAB O=C(NCc1ccccc1)[C@@H]1CC=CCC1 40457520 NYFZHOMYYBOKHW-CYBMUJFWSA-N 215.296 2.659 0 40 BFAB O=C(NCc1ccc(F)cc1)Nc1ccccn1 42298985 YPUPOEWBYNFIDY-UHFFFAOYSA-N 245.257 2.542 0 40 BFAB OCc1nc(-c2ccccc2Cl)cs1 45206543 DSZUFWOIRRSXHP-UHFFFAOYSA-N 225.700 2.956 0 40 BFAB in-vitro CC(C)N(Cc1ccccn1)Cc1cscn1 48253426 AGOBAHIKBVSQQF-UHFFFAOYSA-N 247.367 2.949 0 40 BFAB CCOc1ccccc1Nc1cc(N)nc(C)n1 49467331 ZNXBNAHSTZXVMG-UHFFFAOYSA-N 244.298 2.510 0 40 BFAB CCN(CC)C(=O)CCCOCc1ccccc1 50256371 GVWCUMAMKFIRLY-UHFFFAOYSA-N 249.354 2.852 0 40 BFAB N=C(NCCc1ccccc1)Nc1ccccc1 52046875 AQOAUJIWRUWTOB-UHFFFAOYSA-N 239.322 2.866 0 40 BFAB c1ccc(CN2CCC3(CCCCN3)CC2)cc1 52537244 KPTIPFMUKHVJGL-UHFFFAOYSA-N 244.382 2.795 0 40 BFAB C[C@@H](C(=O)O)N(C)Cc1cccc2ccccc12 54070411 SLULYOAJIBQCNB-NSHDSACASA-N 243.306 2.745 0 40 BFAB CC[C@@H](C)NC(=O)N[C@H](C)c1cccc(O)c1 65513368 AGLJOFDWVLHCPV-NXEZZACHSA-N 236.315 2.551 0 40 BFAB CCC[C@H](C(=O)N[C@H](C)COC)c1ccccc1 65621872 PEXNPUNIMLLHFL-OCCSQVGLSA-N 249.354 2.721 0 40 BFAB CCCCOc1ccccc1-c1cnc(CN)o1 72220124 NSYVDLWTNAEEDC-UHFFFAOYSA-N 246.310 2.979 0 40 BFAB N[C@@H](c1cc(Br)ccc1F)C1CC1 75902616 LVFQLBOMQVKLIJ-SNVBAGLBSA-N 244.107 2.998 0 40 BFAB Clc1cc(Cl)nc(-n2cccc2)n1 78582805 PXCFOLSRKGWIEV-UHFFFAOYSA-N 214.055 2.574 0 40 BFAB COC(=O)c1cc(C)ccc1OC(C)C 82726804 YKBQNWCIQJUWST-UHFFFAOYSA-N 208.257 2.569 0 40 BFAB Oc1cnc2cccc(Br)c2c1 84122443 FPIBVPSBIRPADP-UHFFFAOYSA-N 224.057 2.703 0 40 BFAB CN(C)C(=O)c1c[nH]cc1-c1ccc(F)cc1 95401796 PBUYQFSCVOYPME-UHFFFAOYSA-N 232.258 2.523 0 40 BFAB CS[C@@H]1CCC[C@@H]1NC1CCSCC1 95423376 RCWFZMHQUJWMAI-WDEREUQCSA-N 231.430 2.756 0 40 BFAB CC(C)CN1CC[C@@H](CN)c2ccccc21 96510381 TUIIUTVWCRMQFV-LBPRGKRZSA-N 218.344 2.595 0 40 BFAB COC(=O)Cc1cccc(NCc2ccco2)c1 97235422 HFQVJMROIFEPES-UHFFFAOYSA-N 245.278 2.607 0 40 BFAB COCCCOc1c(F)cccc1Cl 187951964 AHZKJYZAUNMZLD-UHFFFAOYSA-N 218.655 2.894 0 40 BFAB Cc1ccc(C[C@@H]2C[C@@H]2C(=O)O)cc1C 217823623 FTYLSIKEUCKWEW-NEPJUHHUSA-N 204.269 2.567 0 40 BFAB CC(=O)N[C@H](C)c1cc(C)c(C)cc1C 223392386 YKLGSCQPZWRCGR-LLVKDONJSA-N 205.301 2.809 0 40 BFAB Cc1cccc(-c2cc(C(=O)O)no2)c1C 258203882 OSUWYGACSMARHJ-UHFFFAOYSA-N 217.224 2.657 0 40 BFAB Cc1cc2c(cc(C(=O)O)n2CC(C)C)o1 409423330 PVBQSWSNJGTYHA-UHFFFAOYSA-N 221.256 2.897 0 40 BFAB Cc1ccc(-n2nc(C)c(C)c2C)nc1 653471356 FJTWZFRRVCRJTF-UHFFFAOYSA-N 201.273 2.501 0 40 BFAB COc1ccccc1Oc1cncnc1Cl 685936170 ISRONZSRQMOQPU-UHFFFAOYSA-N 236.658 2.931 0 40 BFAB Cn1cnc(-c2cccc(C(F)(F)F)c2)n1 2362801623 LTOXXKBASYIOKI-UHFFFAOYSA-N 227.189 2.501 0 40 BFAB CN(C)C(=O)OCc1cc(Cl)nc(Cl)c1 162967 MKRWDNUAFVKQDQ-UHFFFAOYSA-N 249.097 2.587 0 40 BFAB Fc1ccc(NCc2ccncc2)cc1 497925 ONNWIIVTVOCXPW-UHFFFAOYSA-N 202.232 2.833 0 40 BFAB O=C1CC[C@H](c2ccc(Br)cc2)O1 1438133 LULFVGLMBVEKOH-SECBINFHSA-N 241.084 2.827 0 40 BFAB CCN(CC)C(=O)c1cc2ccccc2o1 1598949 IGWDKCLFESDDEQ-UHFFFAOYSA-N 217.268 2.915 0 40 BFAB O=C1C[C@@H](c2ccccc2)NN1c1ccccc1 1743979 RAQBOVMWAGOKDG-AWEZNQCLSA-N 238.290 2.669 0 40 BFAB biogenic CN(C)CCCCC(=O)c1ccccc1 1807310 YBIJYDMPGOBBSE-UHFFFAOYSA-N 205.301 2.601 0 40 BFAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)NC(C)C)c1 2773811 QTEHVDGLFXCHPH-CYBMUJFWSA-N 249.354 2.904 0 40 BFAB CN(C)C[C@@]1(C)Cc2cc(Cl)sc2C1=O 4934684 IIILQVNRZWMLHM-LLVKDONJSA-N 243.759 2.708 0 40 BFAB Cc1ccc(C(=O)Nc2ccncc2)cc1C 5330946 KKRFLGDVPLOMDU-UHFFFAOYSA-N 226.279 2.951 0 40 BFAB CCSC(SCC)c1ccn(C)n1 5654988 HZYUDUGPEHCSDJ-UHFFFAOYSA-N 216.375 2.925 0 40 BFAB Cc1cnc(NC(=O)[C@@H]2CC=CCC2)s1 7987018 BKXCVCSQIWRNTJ-SECBINFHSA-N 222.313 2.746 0 40 BFAB Cc1ccccc1CNC(=O)c1cccs1 10824752 IKKGFAYRMXDLRW-UHFFFAOYSA-N 231.320 2.987 0 40 BFAB CCCCN(C)[C@H](C(=O)O)c1ccccc1 11863963 KNLCYGOABMPBIU-LBPRGKRZSA-N 221.300 2.544 0 40 BFAB CC(C)(C)SCC(=O)N1CCCCC1 12928361 XMYDWGCSSATFPO-UHFFFAOYSA-N 215.362 2.531 0 40 BFAB S=c1[nH]nc(-c2ccco2)n1C1CC1 13729064 IYJOSWSCBSTSPY-UHFFFAOYSA-N 207.258 2.536 0 40 BFAB Cc1cc(CC(=O)O)cc(OC(F)(F)F)c1 16158959 VEEJCMLHVUBOPJ-UHFFFAOYSA-N 234.173 2.521 0 40 BFAB COC(=O)/C=C(C)\C=C/c1cc(C(C)=O)c(C)o1 17198522 BFFQTAPFPPQJQX-LZWBOMALSA-N 248.278 2.923 0 40 BFAB C[C@H](NN)C(c1ccccc1)c1ccccc1 19272988 WCUKOYBJMCBWCU-LBPRGKRZSA-N 226.323 2.670 0 40 BFAB CC1=C[C@H](C)[C@H](C2N3CCCN2CC3)[C@@H](C)C1 19325822 HFPVWFVWBIWBRP-IHRRRGAJSA-N 234.387 2.572 0 40 BFAB FCCOCc1ccc(Br)cc1 34450286 JYCKUKXQLXOAPM-UHFFFAOYSA-N 233.080 2.935 0 40 BFAB CC(=O)[C@H](C)Sc1nc2ccccc2o1 35183484 BOQPHDDEDPKYJY-QMMMGPOBSA-N 221.281 2.897 0 40 BFAB C[C@H]1CCCN(Cc2cc(F)ccc2N)C1 35308381 SDSVZIDNZFKMQA-JTQLQIEISA-N 222.307 2.640 0 40 BFAB Cc1cccc(NC(=O)COCC(F)(F)F)c1 36391870 GICHXFHFMVFZKG-UHFFFAOYSA-N 247.216 2.512 0 40 BFAB CCCCC(=O)N[C@H](C)Cc1cccs1 38935401 ANAMRBZPGLBZGN-SNVBAGLBSA-N 225.357 2.986 0 40 BFAB CC(C)(C)c1cc(C(C)(C)C)nc(N)n1 39271146 WDGJQAKMBHPTAB-UHFFFAOYSA-N 207.321 2.654 0 40 BFAB in-vitro CC[C@H](NCCn1cccn1)c1ccccc1 42538687 XAXGRTZHNXFNDW-AWEZNQCLSA-N 229.327 2.624 0 40 BFAB CCCc1ccc(OC[C@@H]2CCNC2)c(OC)c1 42773774 NNSXXLARCDTTJA-CYBMUJFWSA-N 249.354 2.636 0 40 BFAB CCOC(=O)c1c(Cl)cncc1Cl 44200659 CUQDKCGCSZPIRS-UHFFFAOYSA-N 220.055 2.565 0 40 BFAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NC2CC2)c1 44884231 DNNVDGYPLDDIJE-LBPRGKRZSA-N 247.338 2.658 0 40 BFAB C[C@H]1CCCN(Cc2nnc(C(C)(C)C)o2)C1 46837860 JBQSKKZFMATJSI-JTQLQIEISA-N 237.347 2.599 0 40 BFAB Cc1csc(CNC(=O)CC(C)(C)C)n1 48343502 FKUYFOIOWVJGLM-UHFFFAOYSA-N 226.345 2.504 0 40 BFAB O=Cc1cccn1Cc1ccc(F)c(F)c1 49578051 IUAKBUIIKGYHOE-UHFFFAOYSA-N 221.206 2.627 0 40 BFAB COc1ccccc1NC[C@H]1CCC=CO1 50267163 INEDZAFRZISYQZ-LLVKDONJSA-N 219.284 2.800 0 40 BFAB CCN1CCC[C@H]1c1cc(OC)ccc1OC 57621051 RJDHXOWPLVSCDD-ZDUSSCGKSA-N 235.327 2.861 0 40 BFAB CCN(C)c1ccc(C(=O)N(C)CC2CC2)cc1 58354782 BUGBXZDAGHHGIY-UHFFFAOYSA-N 246.354 2.625 0 40 BFAB COCC(=O)N[C@@H](CC(C)C)c1ccccc1 60796776 BBRXKTRBEUVACE-ZDUSSCGKSA-N 235.327 2.536 0 40 BFAB CCN(CC)c1ccc([C@@H]2C[C@@H]2CNC)cc1 62494907 DABXNEZNMIQRFL-HIFRSBDPSA-N 232.371 2.856 0 40 BFAB O=C(O)c1ccc2cc(Cl)ncc2c1 62702022 ISSVQTMTGFLMQA-UHFFFAOYSA-N 207.616 2.586 0 40 BFAB in-vitro CCOc1ccc([C@H](CN)OC(C)C)cc1 62711766 CRUBDTUTZLWAMJ-ZDUSSCGKSA-N 223.316 2.510 0 40 BFAB CCC(CC)CNC(=O)c1ccc2c(c1)CCO2 71847799 MLBHOIBNXNQKEW-UHFFFAOYSA-N 247.338 2.788 0 40 BFAB Cc1cccnc1[C@@H]1CCCN1C(C)C 72211131 CEAYLXAQBWMYOM-LBPRGKRZSA-N 204.317 2.935 0 40 BFAB Nc1ccc2nc(C(F)F)sc2c1 85279094 FOFMNMOYBHDIDQ-UHFFFAOYSA-N 200.213 2.816 0 40 BFAB in-vitro Cc1cnn(-c2ccc(C=O)cc2Cl)c1 88041572 SQEQJUCOCCOUEZ-UHFFFAOYSA-N 220.659 2.647 0 40 BFAB Cc1ccccc1CC1CN(C(=O)[C@H]2C[C@@H]2C)C1 95964639 HPFFZBUQONATJE-WFASDCNBSA-N 243.350 2.652 0 40 BFAB Cc1ccoc1[C@@H](C)NCC[C@H]1CCCO1 95978103 PMMVDUHQBOMIKS-VXGBXAGGSA-N 223.316 2.808 0 40 BFAB Cc1ccc(C(=O)O)c(C)c1Br 96300505 SNANINYFIFMJBX-UHFFFAOYSA-N 229.073 2.764 0 40 BFAB in-vitro CCCN(Cc1ccco1)C[C@H](N)CC(C)C 96523757 PXKDHLKIFDFYLN-CYBMUJFWSA-N 238.375 2.865 0 40 BFAB Clc1cccc(C2=N[C@@H]3C=NN=C3S2)c1 100012099 PSEVBKPUWBEQTN-MRVPVSSYSA-N 235.699 2.600 0 40 BFAB Nc1cc(C(F)(F)F)cc2cnccc12 149609326 UVRLGUIAFLCYTR-UHFFFAOYSA-N 212.174 2.836 0 40 BFAB NN[C@H]1C[C@@H](c2ccccc2)c2ccccc21 198837081 BKHURDUPJQKETH-GJZGRUSLSA-N 224.307 2.727 0 40 BFAB c1csc(-c2ccc([C@H]3CCCNC3)nc2)n1 205686402 SSIDHXNCIZQTAW-JTQLQIEISA-N 245.351 2.672 0 40 BFAB Cc1ccc(-c2nnc(-c3cnco3)o2)cc1 216603880 OVZMVRKVWOGNAD-UHFFFAOYSA-N 227.223 2.700 0 40 BFAB Cc1ccc(Cn2c(C(=O)O)c[nH]c2=S)cc1 225319704 QCORWFJRCVSDOS-UHFFFAOYSA-N 248.307 2.601 0 40 BFAB CC(C)(C)OC(=O)NC(C)(C)c1cccnc1 243055460 IHISUHDUTWYMHT-UHFFFAOYSA-N 236.315 2.841 0 40 BFAB COc1nc2ccccc2cc1CN1CCCC1 534329897 DRUAHOANDCWMDR-UHFFFAOYSA-N 242.322 2.839 0 40 BFAB CCc1cc(CO)c2cccc(Cl)c2n1 685937676 XBDQUFHLDRSAMG-UHFFFAOYSA-N 221.687 2.943 0 40 BFAB OC1CC2(C1)CC(OCc1ccccc1)C2 710676928 LVDKZLSHJIWTQH-UHFFFAOYSA-N 218.296 2.507 0 40 BFAB COc1ccc2oc(C)c(NC(C)=O)c2c1 55237 JNFVBJBOSXOCGQ-UHFFFAOYSA-N 219.240 2.708 0 40 BFAB COc1ccc(C(=O)[C@H](O)c2ccccc2)cc1 2044400 PVSFIFPJPUEHPO-CQSZACIVSA-N 242.274 2.612 0 40 BFAB biogenic,in-vitro Cc1ccc(-c2csc(N)c2C(N)=O)c(C)c1 2584884 GRWBTXZENULKJJ-UHFFFAOYSA-N 246.335 2.713 0 40 BFAB CC(C)=CCc1cc(C(=O)O)ccc1O 4654776 LBSJJNAMGVDGCU-UHFFFAOYSA-N 206.241 2.599 0 40 BFAB biogenic,in-vitro C[C@H]1CCC[C@](O)([C@H](C(=O)O)c2ccccc2)C1 4692458 ZXADRCVGENLGTA-CORIIIEPSA-N 248.322 2.796 0 40 BFAB COc1ccc(C)cc1NC(=O)[C@@H]1C[C@@H]1C 5701521 CPKOFABARXXKLF-VHSXEESVSA-N 219.284 2.598 0 40 BFAB COc1ccc(C)cc1NC(=O)[C@H]1C[C@@H]1C 5701525 CPKOFABARXXKLF-UWVGGRQHSA-N 219.284 2.598 0 40 BFAB COc1ccc(C)cc1C(=O)Nc1nccs1 7918980 MZBFPMFFHKTPBV-UHFFFAOYSA-N 248.307 2.712 0 40 BFAB COc1ccc([C@@H](CC(=O)O)C2CC2)cc1 11628826 UYGYHNKELYLFSA-LBPRGKRZSA-N 220.268 2.664 0 40 BFAB Fc1cc(Cl)ccc1O[C@H]1CCCNC1 14631857 JFYHSUDQOJUQDD-VIFPVBQESA-N 229.682 2.610 0 40 BFAB in-vitro Oc1noc2cc(C(F)(F)F)ccc12 14980251 LHBGDHWKCNHDBV-UHFFFAOYSA-N 203.119 2.552 0 40 BFAB CCN(CC1CCNCC1)C1CCCCC1 19511828 BIEWKBAYHYSJJN-UHFFFAOYSA-N 224.392 2.641 0 40 BFAB c1ccc2[nH]c(C3CCNCC3)cc2c1 20217123 QUSRJRFKZHTCIL-UHFFFAOYSA-N 200.285 2.635 0 40 BFAB in-vitro C[C@H]1C[C@H](C)CN(Cc2ccc(CN)cc2)C1 21952069 YMVFPSOLZLYHIV-STQMWFEESA-N 232.371 2.623 0 40 BFAB Clc1ccc(NCc2cccs2)nn1 26420614 NIIAOAYNCUNSDT-UHFFFAOYSA-N 225.704 2.804 0 40 BFAB COc1ccc(-n2cc[nH]c2=S)c(OC)c1 26422928 GCYUEVBISPYASS-UHFFFAOYSA-N 236.296 2.552 0 40 BFAB OC/C=C/c1ccc(Cl)c(Cl)c1 34318206 BZHUHALWBXDAIN-OWOJBTEDSA-N 203.068 2.999 0 40 BFAB Nc1c(Cl)cc(Br)c2c1CCO2 34526793 MLRILCXPMPKPCK-UHFFFAOYSA-N 248.507 2.620 0 40 BFAB CCOc1ccccc1[C@@H](O)C(F)(F)F 43367898 UDNABDZRAPVORN-SECBINFHSA-N 220.190 2.681 0 40 BFAB CC[C@@H](CO)NC1CCC(C(C)C)CC1 54554627 KYFUBCRSUVWLOU-CPCZMJQVSA-N 213.365 2.562 0 40 BFAB CC(C)=CCN1CCC[C@@H]1Cn1cc(C)cn1 70040481 NNHHPPYBWNZBQO-CQSZACIVSA-N 233.359 2.622 0 40 BFAB COC(=O)c1cccc(-c2nc(C)cs2)c1 71373494 OWKUDSAXXSXSKN-UHFFFAOYSA-N 233.292 2.905 0 40 BFAB in-vitro Cc1ccc(NCc2ccc(CO)o2)cc1 71915081 IUSGOMFFELBCNT-UHFFFAOYSA-N 217.268 2.692 0 40 BFAB CC(C)N(C[C@@H]1C[C@@H]1C)C(=O)Nc1cccnc1 72304749 XTCZSNUMKVPPMI-RYUDHWBXSA-N 247.342 2.980 0 40 BFAB C[C@@H]1CCCN(C(=O)Cc2ccccc2F)C1 74927648 JJHHOANGQSWLLE-LLVKDONJSA-N 235.302 2.627 0 40 BFAB c1ccc(-c2cc([C@@H]3CCCNC3)n[nH]2)cc1 74941729 QBZXVBLHBBDFGS-GFCCVEGCSA-N 227.311 2.544 0 40 BFAB CC(C)[S@@](=O)c1ccc(Br)cc1 82046453 KNOPNGNHCUFBRQ-LBPRGKRZSA-N 247.157 2.965 0 40 BFAB Cc1nsc(N[C@@H]2CCc3ccccc32)n1 89721460 DPAFQOCLSULAPZ-LLVKDONJSA-N 231.324 2.946 0 40 BFAB CCOc1cc(C(=O)CC)ccc1OC 95739966 BDJNLMGGJGQMBE-UHFFFAOYSA-N 208.257 2.687 0 40 BFAB CC1(C)COC2(C[C@@H]3C=CC[C@@H]3C2)OC1 95929137 MFPZHVAUQQEPCD-WDEREUQCSA-N 208.301 2.742 0 40 BFAB Cl[C@]12C[C@@H]3[C@H]4C[C@](Cl)(O1)[C@H]1[C@H]4C[C@H]3[C@@H]12 100246457 XACQLMSONRGALD-FKOWUUBFSA-N 231.122 2.809 0 40 BFAB CCCCc1noc(C)c1C(=O)OCC 113143128 UPGNSGNBQCREJB-UHFFFAOYSA-N 211.261 2.502 0 40 BFAB CN1CCCC[C@@H]1CCSc1ncco1 225444979 DODXANCKFKAPNW-SNVBAGLBSA-N 226.345 2.641 0 40 BFAB O=C(Cc1ccccc1)N[C@@H]1C[C@H]2CC[C@H]1C2 254771739 OLEYLXPQZIODGT-MELADBBJSA-N 229.323 2.534 0 40 BFAB CCn1c2c(sc1=N)CCc1ccccc1-2 408576516 VIWSNXMWHNCIFS-UHFFFAOYSA-N 230.336 2.815 0 40 BFAB CCc1c(C2CC2)[nH]c2cccc(OC)c2c1=O 685938779 XQGYFVOXPXZPLJ-UHFFFAOYSA-N 243.306 2.977 0 40 BFAB C[C@@H]1Cn2c(nnc2-c2cccc(F)c2)S1 110482 TZSOYPGBWUBLMI-SSDOTTSWSA-N 235.287 2.578 0 40 BFAB Cc1cc(C)nc(Nc2ccccc2F)n1 150110 HTKOZFLFSQNWJV-UHFFFAOYSA-N 217.247 2.976 0 40 BFAB Cc1ccc([C@H](O)c2ccccc2O)cc1 305492 QMIIYQVYBXUULW-AWEZNQCLSA-N 214.264 2.782 0 40 BFAB biogenic O=C1Oc2ccccc2O[C@H]1c1ccccc1 1563504 OKBXUAPUMQMEOE-ZDUSSCGKSA-N 226.231 2.726 0 40 BFAB CCOc1cccc2sc(NC(C)=O)nc12 3108312 ZRRYODWOAZYWLW-UHFFFAOYSA-N 236.296 2.653 0 40 BFAB COc1ccccc1[C@@H]1CCCCCN1 3734851 QUGWHACTNJAVTB-LBPRGKRZSA-N 205.301 2.900 0 40 BFAB O=C(Nc1nc2c(F)cccc2s1)C1CC1 4331579 WLYDTCOJYONVPD-UHFFFAOYSA-N 236.271 2.784 0 40 BFAB O=C1CC[C@H](c2ccc3c(c2)CCCC3)O1 5064424 XSCLDQDZADGJOV-CYBMUJFWSA-N 216.280 2.944 0 40 BFAB c1ccc2cc([C@@H]3NCCc4[nH]cnc43)ccc2c1 5723389 WZHSWXWEOLPVRV-HNNXBMFYSA-N 249.317 2.798 0 40 BFAB Clc1ncc(-c2nc3ccccc3o2)cn1 5777525 BZUOWSIXWWAPKN-UHFFFAOYSA-N 231.642 2.938 0 40 BFAB CCC[C@H](N[C@H]1C(C)=Cc2ccccc21)C(=O)O 8730652 IODKUYZKWSNWCQ-KBPBESRZSA-N 245.322 2.988 0 40 BFAB CC[C@H](Cc1cccc(Cl)c1)C(=O)O 11976807 HUFFBCJQSUHEHC-SECBINFHSA-N 212.676 2.993 0 40 BFAB CC(=O)c1sc2nc(C)nc(C)c2c1C 12505650 AQPQSRMXIKTHIB-UHFFFAOYSA-N 220.297 2.819 0 40 BFAB in-vitro C[C@H]1CN(c2nc3ccccc3s2)C[C@H](C)O1 13002887 JSTYBIGJUUNOKH-UWVGGRQHSA-N 248.351 2.910 0 40 BFAB C[C@@](O)(Cc1cccnc1)c1cccs1 17301973 RKIRPVPPFSBYKV-GFCCVEGCSA-N 219.309 2.593 0 40 BFAB CC[C@H](C)OC(=O)c1cc(Cl)ccc1N 20155168 SONYNQLFWYUXRO-ZETCQYMHSA-N 227.691 2.878 0 40 BFAB Cc1ccc(C(=O)Nc2ccccc2)cc1N 20194894 DGILUAOMQWZUKA-UHFFFAOYSA-N 226.279 2.830 0 40 BFAB in-vitro c1ccc(CN[C@H]2CCc3ccccc3C2)nc1 23282822 ZPCOBTNQGHVASG-HNNXBMFYSA-N 238.334 2.729 0 40 BFAB C[C@H]1C[C@H]1C(=O)Nc1ccccc1N1CCCC1 32678859 MHRBMOUCOGEZLR-NWDGAFQWSA-N 244.338 2.881 0 40 BFAB COc1cc(OC)c(Cl)c(C=O)c1Cl 34483279 VDBQFLMOULMNOE-UHFFFAOYSA-N 235.066 2.823 0 40 BFAB C[C@@H]1CCCCN1Cc1cc(F)ccc1N 35308365 QOOGUNONUAMMDG-SNVBAGLBSA-N 222.307 2.782 0 40 BFAB CN[C@@H](c1ccc(F)cc1)c1cccnc1 35463661 DABUWFPZDWZBCH-ZDUSSCGKSA-N 216.259 2.530 0 40 BFAB in-vitro CN(C)c1cccc(C(=O)N2CCCCCC2)c1 40459309 STPFXRUGLXNPHQ-UHFFFAOYSA-N 246.354 2.769 0 40 BFAB C[C@H]1C[C@@H]1C(=O)N(C)CC1CCCCC1 43979905 DSAMOXVUXWYRKI-JQWIXIFHSA-N 209.333 2.681 0 40 BFAB C[C@H]1C[C@H]1C(=O)N(C)CC1CCCCC1 43979915 DSAMOXVUXWYRKI-CMPLNLGQSA-N 209.333 2.681 0 40 BFAB Cc1ccc(OCCC(=O)N2CCCC2)cc1C 44666736 HFZAAVGWJPXMMD-UHFFFAOYSA-N 247.338 2.695 0 40 BFAB CC(=O)c1ccc(F)cc1OC(F)F 47203338 MWMOUUMPTVYZAJ-UHFFFAOYSA-N 204.147 2.630 0 40 BFAB in-vitro Cc1cc(NC(=O)Nc2ccccc2C)n(C)n1 48870111 BRICIELXBQLGLU-UHFFFAOYSA-N 244.298 2.681 0 40 BFAB O=C(O)c1sccc1SC(F)F 58037910 ONSJSDSGEMOCPN-UHFFFAOYSA-N 210.226 2.761 0 40 BFAB in-vitro CCSc1ncc(CNC2CCCC2)cn1 62717286 FZZAIJUXISMWOV-UHFFFAOYSA-N 237.372 2.621 0 40 BFAB Cc1noc([C@@H](C)N(C)CC2CCCCC2)n1 65575342 DCELEGLMGMCFBY-SNVBAGLBSA-N 237.347 2.951 0 40 BFAB COc1ccc2onc(NCC(C)C)c2c1 72208992 RCTWGPDROHTIHG-UHFFFAOYSA-N 220.272 2.904 0 40 BFAB Oc1cc2occc2cc1Br 72219758 SLXDGNZACCLQGK-UHFFFAOYSA-N 213.030 2.901 0 40 BFAB CCOC(=O)CCCc1ccc(F)cc1 74468859 FUQDMNQPBVZSPP-UHFFFAOYSA-N 210.248 2.712 0 40 BFAB CC[C@H](N)c1cc(F)cc(Br)c1 84191640 WFGZEDKDVSOQAS-VIFPVBQESA-N 232.096 2.998 0 40 BFAB in-vitro COCc1nc(-c2cc3ccccc3o2)no1 88338018 UBSHCWWNJCECAE-UHFFFAOYSA-N 230.223 2.629 0 40 BFAB CNC(=O)[C@H](c1cccc(Cl)c1)C(C)C 89801747 RTFCYBHQWWAZNG-NSHDSACASA-N 225.719 2.826 0 40 BFAB Cc1cc(C=O)cc(C(F)(F)F)c1F 91252084 FWHHVASQHPGQBB-UHFFFAOYSA-N 206.138 2.965 0 40 BFAB Clc1cccc(COC[C@@H]2CO2)c1Cl 95096147 PZVRBSYNKUCKKV-MRVPVSSYSA-N 233.094 2.909 0 40 BFAB Clc1cnc(N2C[C@H]3CCCC[C@@H]3C2)nc1 95408685 SQPOLSYZJNUSOR-NXEZZACHSA-N 237.734 2.756 0 40 BFAB CSc1ccc([C@@H](O)c2cccn2C)cc1 95727923 LUVGEXFDMBRARY-CYBMUJFWSA-N 233.336 2.829 0 40 BFAB COc1ccc(F)cc1-c1ccccn1 95728185 FYKHNECDENUJGC-UHFFFAOYSA-N 203.216 2.896 0 40 BFAB Cc1c(N)cc(Br)cc1Cl 95845569 IMJLDDWETWTFLA-UHFFFAOYSA-N 220.497 2.993 0 40 BFAB Cc1ccccc1CC1CN(C(=O)[C@H]2C[C@H]2C)C1 95964641 HPFFZBUQONATJE-DOMZBBRYSA-N 243.350 2.652 0 40 BFAB Clc1cc(Cn2cncn2)c2ncccc2c1 98012702 WBZCFUSHXICLPW-UHFFFAOYSA-N 244.685 2.528 0 40 BFAB C[C@H](NC(=O)c1cccnc1)[C@H]1C[C@@H]2CC[C@@H]1C2 100842679 NTMANIMIVFSVIN-FMCLSXCISA-N 244.338 2.636 0 40 BFAB Cc1cc(O)n(-c2cccc(Cl)c2)n1 105850897 LLCDODWJUNKEFS-UHFFFAOYSA-N 208.648 2.540 0 40 BFAB C[C@H]1CC(=O)c2cnn(Cc3ccccc3)c2C1 199737833 WEDXATQPLGCKBB-LLVKDONJSA-N 240.306 2.696 0 40 BFAB CCCOCc1cc(C(=O)O)ccc1OCC 224701931 UOUFYHWUWCCQGN-UHFFFAOYSA-N 238.283 2.710 0 40 BFAB CCC(=O)NCc1cc(CC)ccc1CC 225761275 NVSLTZQHXSBEDT-UHFFFAOYSA-N 219.328 2.838 0 40 BFAB Cc1cc(OCC(F)F)cc2sc(N)nc12 256052969 PKDHPPJYBIJFGM-UHFFFAOYSA-N 244.266 2.831 0 40 BFAB FCCn1cc(NCc2cccc(F)c2)cn1 256053816 TTWPRBIEBPJICR-UHFFFAOYSA-N 237.253 2.604 0 40 BFAB Cc1ccc(CN2CC[C@H](c3ccn[nH]3)C2)s1 257322496 WGEZRWQBRIUZRP-NSHDSACASA-N 247.367 2.769 0 40 BFAB Oc1c(F)c(F)cc(Br)c1F 306872783 WCRGAUAFOUVDIM-UHFFFAOYSA-N 226.979 2.572 0 40 BFAB Oc1cc(-c2cccc(OC(F)(F)F)c2)no1 725328087 WSBVXOGBFIATIU-UHFFFAOYSA-N 245.156 2.946 0 40 BFAB CCOC(=O)c1c(-c2ccco2)csc1N 160150 JMLBJOYPNPOBKV-UHFFFAOYSA-N 237.280 2.767 0 40 BFAB O=CNC1c2ccccc2-c2ccccc21 1679732 ACYCHYOCDXNXJE-UHFFFAOYSA-N 209.248 2.502 0 40 BFAB CC(=O)n1c2ccccc2c2[nH]c(=S)n(C)c21 3158104 VRZASQZHQNAVLW-UHFFFAOYSA-N 245.307 2.851 0 40 BFAB Cc1ccc(C(=O)O)cc1NC(=O)c1ccco1 3223886 UAYLOXAZFQONER-UHFFFAOYSA-N 245.234 2.539 0 40 BFAB C[C@@H]1C[C@@H](NC(=S)N(C)C)CC(C)(C)C1 4376812 SKCBGLHGCCBEEY-NXEZZACHSA-N 228.405 2.637 0 40 BFAB CN(C(=O)CCC(C)(C)C(=O)O)c1ccccc1 4671505 GXBIOUDLSQCCCP-UHFFFAOYSA-N 249.310 2.540 0 40 BFAB CCOCC(=O)Nc1ccc(Cl)c(Cl)c1 4700214 KOOIKMDOVPBAMF-UHFFFAOYSA-N 248.109 2.968 0 40 BFAB C/C=C/C=C/[C@H]1Cc2cc(O)cc(O)c2O1 5811517 WTFIFQXTQCYJKU-JWVODRKRSA-N 218.252 2.534 0 40 BFAB biogenic,in-vitro Cc1c(Cl)cccc1N1[C@H](C)CNC[C@H]1C 11632667 KPIUJOCQDXHOQX-NXEZZACHSA-N 238.762 2.835 0 40 BFAB NCCOc1ccc(Oc2ccccc2)cc1 11945831 FBLANPWAVFBRNS-UHFFFAOYSA-N 229.279 2.816 0 40 BFAB in-vivo COCCn1c(C(C)C)nc2ccccc21 13143417 IUWGYEUCXNCELH-UHFFFAOYSA-N 218.300 2.806 0 40 BFAB COCCN[C@@H](C)c1ccc(Cl)cc1 19881306 MRTVOCLFJWZBHA-VIFPVBQESA-N 213.708 2.637 0 40 BFAB N#C[C@@H](Cc1cccc2ccccc12)C(=O)O 34363841 NUSBDSQULWMBEU-GFCCVEGCSA-N 225.247 2.607 0 40 BFAB CC(C)C[C@@H](N)CN1CC[C@@H]2CCCC[C@@H]2C1 36810206 BNTIPNUKXBIXGB-RRFJBIMHSA-N 238.419 2.872 0 40 BFAB O=C(NC1(c2ccccc2)CC1)c1ccncc1 41569138 MMWABSDVYUIADO-UHFFFAOYSA-N 238.290 2.501 0 40 BFAB CC(C)c1noc(CN2CCCCCCC2)n1 42289278 PSNHJAXFMAIVIO-UHFFFAOYSA-N 237.347 2.959 0 40 BFAB Cc1cccc(C(=O)c2cnccc2C)c1 45028988 KJMXXHJCGXQFJQ-UHFFFAOYSA-N 211.264 2.929 0 40 BFAB COCC(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 45235310 RLRHMWZXNLKQET-LLVKDONJSA-N 249.354 2.808 0 40 BFAB OCC1CCN(Cc2cccc(Cl)c2)CC1 46090684 QRHUJQBRDLNGEC-UHFFFAOYSA-N 239.746 2.544 0 40 BFAB CC(C)CC(=O)Nc1cccc(/C=C/C(=O)O)c1 49591952 VPJHWQVCVFUHHD-VOTSOKGWSA-N 247.294 2.769 0 40 BFAB CC(C)N1CCC(O)(c2ccccc2F)CC1 52887875 ACBGKLVTYJFSHX-UHFFFAOYSA-N 237.318 2.518 0 40 BFAB CCCc1cc(C(=O)N2CCC[C@@H](C)CC2)[nH]n1 58423861 LURFZKSMTYOUTN-LLVKDONJSA-N 249.358 2.624 0 40 BFAB Fc1cccc2[nH]cc([C@H]3CCCNC3)c12 62319084 DMXOETPMOXUWRL-VIFPVBQESA-N 218.275 2.774 0 40 BFAB C[C@H]1C[C@@H](NCCCOc2ccccc2)CCO1 70361235 TZAVAFGXUPNSNZ-KBPBESRZSA-N 249.354 2.613 0 40 BFAB CN(Cc1ccccc1)c1ccc(C=O)cn1 72225361 ONFRFPARBCFPFX-UHFFFAOYSA-N 226.279 2.531 0 40 BFAB c1cc(C2CCNCC2)cc(NC2CCCC2)n1 72386453 ZQWFTUUYCFSGRN-UHFFFAOYSA-N 245.370 2.903 0 40 BFAB CCOC(=O)c1cc(C2CCCCC2)[nH]n1 91690867 WRELFJIEXZBPEL-UHFFFAOYSA-N 222.288 2.634 0 40 BFAB O=C(O)[C@H]1CC=CC[C@H]1C(=O)c1cccc(F)c1 95634404 VIZZQXYHMMOZDO-NEPJUHHUSA-N 248.253 2.675 0 40 BFAB O=C(O)[C@@H]1CC=CC[C@H]1C(=O)c1cccc(F)c1 95634406 VIZZQXYHMMOZDO-VXGBXAGGSA-N 248.253 2.675 0 40 BFAB CCCCOc1cc(F)ccc1C(=O)O 95730506 ADAYQITUHNBTJQ-UHFFFAOYSA-N 212.220 2.703 0 40 BFAB CSc1ccc(Br)c(O)c1 95936291 JYOFHTQTECJPRV-UHFFFAOYSA-N 219.103 2.877 0 40 BFAB in-vitro CC[C@@H](C)NC(=O)[C@@H](C)c1ccccc1 96319166 FVOVRIBKKZMJNZ-MNOVXSKESA-N 205.301 2.705 0 40 BFAB C[C@@H](O[C@@H]1CCNC1)c1cccc(Cl)c1 96529832 STXHYNPLEGBNMT-BXKDBHETSA-N 225.719 2.780 0 40 BFAB CCCO[C@H](Cc1ccc(C)c(C)c1)C(=O)O 225035413 KOAWUXSBFRMRSK-CYBMUJFWSA-N 236.311 2.726 0 40 BFAB CCCCCCNCc1c(C)nn(C)c1F 256050613 FTFMPJZSFDQRJN-UHFFFAOYSA-N 227.327 2.538 0 40 BFAB CC[C@@H](C)C(=O)c1ccc2c(c1)OCO2 394779110 KQJFBPHMGYPFGE-MRVPVSSYSA-N 206.241 2.644 0 40 BFAB Cc1ccc(Nc2ncc(C)c(O)n2)cc1C 408976461 AWBDWHMSHYLKAO-UHFFFAOYSA-N 229.283 2.851 0 40 BFAB Cc1ccccc1C(=O)O[C@@H](C)CN1CCCC1 383079 YVOUZCSKEFXGSC-ZDUSSCGKSA-N 247.338 2.636 0 40 BFAB Cc1nnc(NC/C=C/c2ccccc2)s1 1611096 IATLEMYQOTVULJ-VMPITWQZSA-N 231.324 2.972 0 40 BFAB CS(C)(=O)=Nc1ccc(Br)cc1 1865560 IRADHOWSAHPJAJ-UHFFFAOYSA-N 248.145 2.808 0 40 BFAB CC(C)(C)Oc1ccc(/C=C/C(=O)O)cc1 2504904 MXTBLBLMCCFGDO-RMKNXTFCSA-N 220.268 2.962 0 40 BFAB C[C@H]1[C@@H](C)C(=O)CCN1CCc1ccccc1 2510512 QJYLHNRPTOYYNS-OLZOCXBDSA-N 231.339 2.529 0 40 BFAB CC(C)(C)[C@]1(C)NN=C2Nc3ccccc3N21 4189718 PYQVIXRBGLJSDO-CYBMUJFWSA-N 230.315 2.555 0 40 BFAB CCC[C@H](Nc1ccc(C)c(C)c1)C(=O)O 8702818 CFQXATOMIWRBLZ-LBPRGKRZSA-N 221.300 2.969 0 40 BFAB NCc1ccccc1N1CCc2ccccc2C1 11757303 WBSKZNLYVGHPLH-UHFFFAOYSA-N 238.334 2.708 0 40 BFAB O=C(CNc1ccccc1)Nc1ccccc1F 12536911 UVXOTLHYOCPPBZ-UHFFFAOYSA-N 244.269 2.876 0 40 BFAB O=C1c2ccccc2CC[C@H]1[C@H]1CCCCCN1 19375172 CXDGODKFOPUAJM-LSDHHAIUSA-N 243.350 2.964 0 40 BFAB CCNCCOc1cc(C)c(Cl)c(C)c1 19738104 BXVBZNQPWRPWCR-UHFFFAOYSA-N 227.735 2.945 0 40 BFAB CCN[C@@H](C)c1ccc(OC(F)F)cc1 20084536 OMLOJLUJQYGWNJ-QMMMGPOBSA-N 215.243 2.959 0 40 BFAB Nc1cc(Cl)ccc1NC(=O)c1ccccn1 21955713 MOLQKJINXSCFCA-UHFFFAOYSA-N 247.685 2.570 0 40 BFAB CCSc1ccc(CN(C)C)s1 22018417 PIWIZKVMUUJCGK-UHFFFAOYSA-N 201.360 2.922 0 40 BFAB CCC(=O)N(C)Cc1cc(Cl)ccc1OC 32774207 ZDRPGWYNQNZVIO-UHFFFAOYSA-N 241.718 2.717 0 40 BFAB C[C@H]1CC(=O)C[C@@H](C)N1Cc1ccccc1 34725299 RZABKAGQMPNUFJ-TXEJJXNPSA-N 217.312 2.629 0 40 BFAB in-vitro Cc1ccccc1Cn1nc(C)c(C(=O)O)c1C 36778103 SVACRVRNYPSOSD-UHFFFAOYSA-N 244.294 2.555 0 40 BFAB Cc1ccc(C[C@@H](N)c2cccnc2)cc1 37992499 HCRKBJLZKQRRRC-CQSZACIVSA-N 212.296 2.633 0 40 BFAB in-vitro Cn1c(SC[C@H]2CCCO2)nc2ccccc21 41101298 BFFOZUZBTOKLOB-SNVBAGLBSA-N 248.351 2.844 0 40 BFAB CCC(=O)Nc1cc(Cl)c(N)cc1Cl 45891439 CMJUEERGXYPULF-UHFFFAOYSA-N 233.098 2.924 0 40 BFAB CN(CC(=O)O)c1ccc(Cl)cc1Cl 49826102 PWPDONMUKSMCHZ-UHFFFAOYSA-N 234.082 2.514 0 40 BFAB O[C@@H](c1cccc2cnccc12)C(F)(F)F 61893894 ZVBVJAPRLJIHIR-JTQLQIEISA-N 227.185 2.831 0 40 BFAB CC(C)COc1c(F)cc(C(=O)O)cc1F 63003927 OPKSAEDCUJGIBY-UHFFFAOYSA-N 230.210 2.698 0 40 BFAB CCN1CCC[C@@H]1c1cnc(NC)c(C)c1 72218971 RFUAFGRAVIOBIP-GFCCVEGCSA-N 219.332 2.589 0 40 BFAB O=C(O)C1(c2cc(-c3ccc(F)cc3)on2)CC1 72220591 UIWNGCAYFGJVBC-UHFFFAOYSA-N 247.225 2.597 0 40 BFAB COC(=O)c1cnc(Nc2ccccc2)c(C)c1 72222267 JVNYERSYOGRHSF-UHFFFAOYSA-N 242.278 2.920 0 40 BFAB CC(C)Oc1ccc2ncc(N)cc2c1 72226631 LQFFIJXNWMZGRV-UHFFFAOYSA-N 202.257 2.604 0 40 BFAB CCCc1c(N)cnn1-c1cccc(C)c1 85634358 NEQJIPCUHDGXFC-UHFFFAOYSA-N 215.300 2.715 0 40 BFAB in-vitro O=Cc1cccc(F)c1N1CCC(F)(F)CC1 95081225 SLUUTWAVWYVQRW-UHFFFAOYSA-N 243.228 2.874 0 40 BFAB CC(C)C[C@@H](N)CSC(F)(F)F 95918474 QRORIQXMHRZVCN-ZCFIWIBFSA-N 201.257 2.613 0 40 BFAB C[C@H]1C[C@H]1C(=O)N[C@H](C)Cc1ccccc1F 106829473 ILELVXDFDGCZKN-HOSYDEDBSA-N 235.302 2.529 0 40 BFAB CCNCc1cccn1-c1ccc(OC)cc1 113704153 CENBVIBXXXMQDI-UHFFFAOYSA-N 230.311 2.595 0 40 BFAB CC[C@H](C)NC(=O)Nc1c(C)cccc1OC 195038386 MTEGMDNEMIQAQB-JTQLQIEISA-N 236.315 2.924 0 40 BFAB C[Si](C)(C)c1c(Cl)cncc1Cl 217338410 LLBPCYIPKTZJQY-UHFFFAOYSA-N 220.175 2.934 0 40 BFAB N[C@H]1CCCC[C@H]1Nc1ccc(F)cc1F 218866818 UQCAMMUECKXEKP-CMPLNLGQSA-N 226.270 2.647 0 40 BFAB FC(F)(F)c1cc2cn[nH]c2c(Cl)n1 238587294 VZDQBYYNMBZJMZ-UHFFFAOYSA-N 221.569 2.630 0 40 BFAB CC[C@H](C)n1ccc(NCc2ccn(CC)n2)n1 256050832 GQSCREGERUFGRN-NSHDSACASA-N 247.346 2.683 0 40 BFAB Cc1nc(Cl)c2cc(C=O)[nH]c2c1C 514278638 KDZOZIBVTLJSAN-UHFFFAOYSA-N 208.648 2.646 0 40 BFAB CC1(C)C(=O)O[C@@H](c2ccccc2)C(C)(C)C1=O 85921 ZQVPXIQBPCOQJJ-NSHDSACASA-N 246.306 2.906 0 40 BFAB CCOc1ccccc1NC(=O)C(F)(F)F 282283 ANJBAKJHPNPSQD-UHFFFAOYSA-N 233.189 2.586 0 40 BFAB CCCC(=O)Nc1ccccc1C(=O)OCC 362088 XSTXWUJSSKDPAE-UHFFFAOYSA-N 235.283 2.602 0 40 BFAB O=C1CC[C@@H](c2ccc(Br)cc2)O1 1438134 LULFVGLMBVEKOH-VIFPVBQESA-N 241.084 2.827 0 40 BFAB N[C@H]1C[C@H]2CCCC[C@H]2C[C@]1(O)c1ccccc1 5395543 QPSHWOZTWDCKIJ-VRKREXBASA-N 245.366 2.802 0 40 BFAB Cc1cc(NC(=O)CC(C)C)ccc1N 8703484 QVJZRUIDMONBFV-UHFFFAOYSA-N 206.289 2.562 0 40 BFAB Nc1nnc(-c2c(F)cccc2Cl)s1 8726900 QMVHYPVHVBSJCN-UHFFFAOYSA-N 229.667 2.580 0 40 BFAB in-vitro NCCCCN1CCC(Cc2ccccc2)CC1 11953301 DWCDIYVGRWHKMZ-UHFFFAOYSA-N 246.398 2.680 0 40 BFAB O=C(Nc1nccs1)c1c[nH]c2ccccc12 13655967 LNXVDESQMJEDIF-UHFFFAOYSA-N 243.291 2.877 0 40 BFAB CCSc1nnc(NCc2ccco2)s1 14302880 PSVIFBFPUYDBCL-UHFFFAOYSA-N 241.341 2.855 0 40 BFAB CC(=O)c1ccc(-n2nc(C)cc2C)c(F)c1 19871213 QBBWLGIFBSASET-UHFFFAOYSA-N 232.258 2.831 0 40 BFAB O=C(Nc1ccc(O)cc1)c1ccsc1 20211285 IKAKSUABEFMICS-UHFFFAOYSA-N 219.265 2.706 0 40 BFAB in-vitro CCOC(=O)Cn1c(C)cc2ccccc21 20362703 YHJXNQJWZCNUAH-UHFFFAOYSA-N 217.268 2.513 0 40 BFAB O=c1ccc2c(Cl)cc(Cl)cc2[nH]1 21987141 POPQNDNLFIICBS-UHFFFAOYSA-N 214.051 2.835 0 40 BFAB CCc1nc(Cl)n(-c2ccc(C)cc2)n1 22125212 NPANBSCFUHFXJY-UHFFFAOYSA-N 221.691 2.792 0 40 BFAB CCCC(=O)c1c(C)c2ccc(O)cc2oc1=O 26476310 MDYSJIHHLVYMQI-UHFFFAOYSA-N 246.262 2.790 0 40 BFAB CSc1ccc(CSCCC(N)=O)cc1 27187520 XAAWYQVXCGJRJZ-UHFFFAOYSA-N 241.381 2.517 0 40 BFAB Nc1ccc(F)c(Cl)c1C(=O)C(F)(F)F 34434120 UZLOXMAWBGNXOG-UHFFFAOYSA-N 241.571 2.806 0 40 BFAB CCc1cc(C(=O)Nc2cn[nH]c2)sc1C 35237448 BHRDHEAAXJAJBL-UHFFFAOYSA-N 235.312 2.594 0 40 BFAB COC(=O)c1ccccc1C(=O)c1cccs1 38213092 UAYACHKOTIDCAJ-UHFFFAOYSA-N 246.287 2.766 0 40 BFAB Cc1oc(-c2ccccc2Cl)nc1CN 39320607 FPPFRVKQLHBHFD-UHFFFAOYSA-N 222.675 2.762 0 40 BFAB Cc1cc(C)cc(CSc2nncn2C)c1 40456922 LYQFGGVAUMQSHH-UHFFFAOYSA-N 233.340 2.724 0 40 BFAB O=C(O)c1[nH]c2ccccc2c1-c1ccccn1 42784254 OPFPUKYSQYOGCI-UHFFFAOYSA-N 238.246 2.928 0 40 BFAB in-vitro CCOC(=O)c1ccc([C@@H]2CCCC(=O)C2)o1 43210286 JKTUNBZVCTWKOL-SECBINFHSA-N 236.267 2.683 0 40 BFAB O=C(O)C[C@@H]1CC=C(c2noc(C3CC3)n2)CC1 45795878 UPKFPAPOABGCBD-MRVPVSSYSA-N 248.282 2.605 0 40 BFAB COC(=O)c1csc(-c2cccs2)n1 61372384 UYTRNLIPONGALL-UHFFFAOYSA-N 225.294 2.658 0 40 BFAB CCCNc1ccc([C@H]2CCCN2C)cn1 72213180 ANRZTGYRVNMBNP-GFCCVEGCSA-N 219.332 2.670 0 40 BFAB CCCNc1ccc([C@H]2CCCCN2C=O)cn1 72213227 FIRJXAWJXQYRIJ-CYBMUJFWSA-N 247.342 2.587 0 40 BFAB Oc1ccc(-c2cnc3n2CCCC3)cc1 72220362 CFBXGJOMFWINRZ-UHFFFAOYSA-N 214.268 2.592 0 40 BFAB COc1cccc(OC)c1C1=NCCCC1 72221431 LYBULIPHOONCQH-UHFFFAOYSA-N 219.284 2.677 0 40 BFAB Cc1noc(C)c1NC(=O)c1cccc(F)c1 84025571 GIXKBFLUYKKWMW-UHFFFAOYSA-N 234.230 2.683 0 40 BFAB CC(C)(O)CN1CC=C(c2ccccc2)CC1 89761695 WDCLIHIVQNFAOR-UHFFFAOYSA-N 231.339 2.547 0 40 BFAB O=c1[nH]c2c(Cl)cc(Cl)cc2s1 91688855 FAJYYCLIPJHGRV-UHFFFAOYSA-N 220.080 2.896 0 40 BFAB in-vitro FC(F)(F)SC1=CCC(=S)N=C1 103629319 KBTOLYNAZZGYBD-UHFFFAOYSA-N 211.233 2.925 0 40 BFAB CNCc1ccn([C@@H](C)c2ccccc2)c1 223694257 CXFYLCVSHLEGSJ-LBPRGKRZSA-N 214.312 2.817 0 40 BFAB CC1(C)CC(=O)[C@@H]2C(C3CCCCC3)=NN[C@@H]2C1 228926913 KOGWSNSKRMXIPR-DGCLKSJQSA-N 248.370 2.900 0 40 BFAB Cc1nn(CCF)cc1NCc1cccs1 256054440 WGPYXNAPNUSAFQ-UHFFFAOYSA-N 239.319 2.835 0 40 BFAB CCCCOCc1ccn(CCCC)n1 408715437 OBBNNEZAEBDZPS-UHFFFAOYSA-N 210.321 3.000 0 40 BFAB Cc1ccc(-c2n(C)c3ccccc3[n+]2C)cc1 137052 ODDNFFLQMAJPIN-UHFFFAOYSA-N 237.326 2.978 0 40 BFAB CCCC(=O)Nc1nnc(C(C)(C)C)s1 344571 UBRCSYQEQLNGAV-UHFFFAOYSA-N 227.333 2.574 0 40 BFAB CC(=O)c1ccc2c(c1O)C=CC(C)(C)O2 347951 GHZRKUIAWAOWRH-UHFFFAOYSA-N 218.252 2.779 0 40 BFAB biogenic O=C1CCCC[C@H]1C[C@@H]1CCCCC1=O 501405 CNVYERSDZLTUQK-QWRGUYRKSA-N 208.301 2.895 0 40 BFAB CCC(=O)C1(c2ccccc2)CCN(C)CC1 1593296 MZCGFXHPRWDPSM-UHFFFAOYSA-N 231.339 2.629 0 40 BFAB CCOC(=O)/C=C(\C)c1ccc(OC)cc1 1617044 CFNFDUJWLXMVHH-MDZDMXLPSA-N 220.268 2.662 0 40 BFAB Cc1cccc(-c2cc[n+]3ccccc3n2)c1 2385044 IAWFJFVFWUXTAD-UHFFFAOYSA-N 221.283 2.796 0 40 BFAB Nc1cc(F)ccc1N1CCCCCC1 2538786 BRZSYCIGSXBGJG-UHFFFAOYSA-N 208.280 2.788 0 40 BFAB COc1cccc2[nH]c(-c3ccccn3)nc12 3954569 CAMACGXEVMSAMT-UHFFFAOYSA-N 225.251 2.634 0 40 BFAB in-vitro CSc1c([S@@](C)=O)c2ccccc2n1C 5580010 HWEHHJSDALVSHI-HNNXBMFYSA-N 239.365 2.638 0 40 BFAB S=C(NCc1ccccc1)c1ccco1 9188064 DDEBIBBITVSOEU-UHFFFAOYSA-N 217.293 2.745 0 40 BFAB COc1ccc(C(C)(C)CC(C)=O)cc1 11631291 YKPIPMQXBHRVHG-UHFFFAOYSA-N 206.285 2.952 0 40 BFAB COc1ccc(Oc2ccc(CCN)cc2)cc1 11890266 DJFKZMQTGQLALX-UHFFFAOYSA-N 243.306 2.989 0 40 BFAB in-vitro CCOc1ccc(C[C@H](CC)C(=O)O)cc1 11976868 UHGKAUTZMGMTOO-NSHDSACASA-N 222.284 2.739 0 40 BFAB c1ccc2c(Nc3nccs3)ncnc2c1 12082592 KZTWQKREMQUJHY-UHFFFAOYSA-N 228.280 2.830 0 40 BFAB CCOC(=O)CCC(=O)Nc1cccc(C)c1C 12403294 NDVUEMCXIMRYRU-UHFFFAOYSA-N 249.310 2.585 0 40 BFAB CCCOCCOc1c(N)cccc1Cl 14629232 FGXYVHMJJMTAQN-UHFFFAOYSA-N 229.707 2.728 0 40 BFAB CC[C@@H]1CNCc2cc3cccc(C)c3nc2O1 19500981 HOISUKPDDHBXID-CYBMUJFWSA-N 242.322 2.804 0 40 BFAB Cc1occc1C(=O)N(C)Cc1ccccc1F 32739285 SCLAQZBROIUOND-UHFFFAOYSA-N 247.269 2.999 0 40 BFAB CC[C@@H](C)C(=O)Nc1nc(C)c2c(n1)CCCC2 32899107 HTIHYANVEGKYGP-SECBINFHSA-N 247.342 2.648 0 40 BFAB COc1ccc(F)cc1[C@@H](O)c1ccco1 40258464 SWJVPTVYOYSFKS-GFCCVEGCSA-N 222.215 2.509 0 40 BFAB Cc1ccc([C@@H](C)NC(=O)Nc2ccccn2)o1 43723123 FVRAJQUOOFIDII-SNVBAGLBSA-N 245.282 2.866 0 40 BFAB CC(C)[C@H](C)NC[C@@H](C)C(=O)OC(C)(C)C 47219069 ZBHRSFGZNLNGSP-MNOVXSKESA-N 229.364 2.598 0 40 BFAB Cc1ccc(C)n1NC(=O)c1ccccc1F 59549611 QLXYSJVAJPLEFL-UHFFFAOYSA-N 232.258 2.628 0 40 BFAB OCc1ccc(OCCC(F)(F)F)cc1 70206579 WRMAWYLPPKNIJX-UHFFFAOYSA-N 220.190 2.510 0 40 BFAB in-vitro COC(=O)c1cc(N)ccc1COC1CCCC1 72209178 AYIDDJCRCJNSCJ-UHFFFAOYSA-N 249.310 2.515 0 40 BFAB CNc1cc(C)c([C@@H](O)c2ccccc2)cn1 72223061 SIABBDRKCLDSGS-AWEZNQCLSA-N 228.295 2.513 0 40 BFAB O=c1[nH]c2ccc(F)cc2n1Cc1ccccc1 75946686 LZDVUVQNYRCLAB-UHFFFAOYSA-N 242.253 2.517 0 40 BFAB O=C1Nc2ccccc2[C@H]1Cc1ccc(O)cc1 83331331 BNEPXBTXKGHOQM-CYBMUJFWSA-N 239.274 2.671 0 40 BFAB CC(C)(C)c1ccc2[nH]c(=O)c(F)cc2c1 96171842 YRHABGBSDBNGKD-UHFFFAOYSA-N 219.259 2.965 0 40 BFAB O=Cc1nc(Br)c(C2CCCC2)[nH]1 96917352 BZVWZZSWGDKTLH-UHFFFAOYSA-N 243.104 2.642 0 40 BFAB CC(C)CSc1nc2ccccc2c(=O)[nH]1 97073447 CFBSDGJEFPIIGB-UHFFFAOYSA-N 234.324 2.671 0 40 BFAB O=C(Nc1nccs1)[C@H]1C[C@H]2CC[C@H]1C2 101154273 PHKMYNOCRCZCOU-CIUDSAMLSA-N 222.313 2.518 0 40 BFAB CC1(C)C(=O)[C@]2(Br)CC[C@]1(C)C2 103611810 ZQHHFVUVFKAHSG-ZJUUUORDSA-N 231.133 2.919 0 40 BFAB O[C@@H]1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 103959668 DNAGSRDCXSVFLX-FICVDOATSA-N 231.339 2.564 0 40 BFAB CC[C@H](C)C(=O)c1ccc(N(C)C)cc1 161440202 JALCAECAEDDMSX-JTQLQIEISA-N 205.301 2.981 0 40 BFAB COC[C@](C)(NCc1cc[nH]c1)c1ccccc1 187392439 AYCWCGJDDZQBOZ-HNNXBMFYSA-N 244.338 2.666 0 40 BFAB OC1(c2nc(-c3cccs3)no2)CCCC1 188008473 AHBWLQXEFYXDAH-UHFFFAOYSA-N 236.296 2.560 0 40 BFAB CCO[C@H](CNC(=O)[C@@H]1C[C@@H]1C)c1ccccc1 194194470 TWCRWVUIKITSDZ-IACUBPJLSA-N 247.338 2.536 0 40 BFAB CC(C)n1cc([C@@H]2CCCCCN2)cn1 225775481 AVZFHAUOSDASDQ-LBPRGKRZSA-N 207.321 2.669 0 40 BFAB CCc1cc(N)ccc1-c1ccc(CO)o1 226314887 IOEGJBKBNGCJTO-UHFFFAOYSA-N 217.268 2.584 0 40 BFAB Cc1cccc(CC[C@H](N)C(F)(F)F)c1 257197683 GLMXOUIBOLKYAR-JTQLQIEISA-N 217.234 2.817 0 40 BFAB Cc1nccnc1O[C@H]1CCc2ccccc21 585650908 HRFWFHZUUZUDCQ-ZDUSSCGKSA-N 226.279 2.851 0 40 BFAB COc1ccc(Nc2ncnc(C)c2F)c(C)c1 1888922209 PZQMUGZIRWLGBW-UHFFFAOYSA-N 247.273 2.985 0 40 BFAB Nc1ccc2oc(-c3ccc(O)cc3)nc2c1 183644 SLGCWIKPPYGYJC-UHFFFAOYSA-N 226.235 2.783 0 40 BFAB Cc1ccc(Cl)cc1NC(=O)c1cnn(C)c1 376070 PRLLCEHYZRIBSY-UHFFFAOYSA-N 249.701 2.634 0 40 BFAB Cc1ccc([C@H]2N[C@@H]2c2ccccn2)cc1 1611065 JMKOGXJOGSKACY-ZIAGYGMSSA-N 210.280 2.776 0 40 BFAB COC(OC)c1cccc(Br)c1 2504535 LEWBSVBRCPCEKV-UHFFFAOYSA-N 231.089 2.741 0 40 BFAB CCCCOc1ccc(/C=C/C(=O)O)cc1 2556314 AAHNIBROSVVFRO-RMKNXTFCSA-N 220.268 2.963 0 40 BFAB in-vitro CCC(=O)c1cc2c(cc1Cl)OCCO2 5296869 BAXXJSCTCSBDNG-UHFFFAOYSA-N 226.659 2.704 0 40 BFAB CCOP1OCC(C(C)(C)C)CO1 5371326 RFCKOHRZWMGVQG-UHFFFAOYSA-N 206.222 2.959 0 40 BFAB O=S(=O)(C1=CCCCC1)c1ccccc1 5947538 PQXXMTMCMCKPCG-UHFFFAOYSA-N 222.309 2.918 0 40 BFAB COC(=O)c1ccc(-n2cccc2)c(C)c1 8409855 XWFUMKMUJRHPRJ-UHFFFAOYSA-N 215.252 2.572 0 40 BFAB Cc1ccc(O[C@H](C)C(=O)NC(C)(C)C)c(C)c1 8494716 PHDIBQTWGZHQGF-GFCCVEGCSA-N 249.354 2.985 0 40 BFAB Nc1ccc2[nH]c(-c3ccccc3)cc(=O)c2c1 8627684 YYHYWCOWAWBTGE-UHFFFAOYSA-N 236.274 2.777 0 40 BFAB CCCCCCSc1ncc(C(=O)O)cn1 8730893 BJQDBJMLIWWVBC-UHFFFAOYSA-N 240.328 2.847 0 40 BFAB Cc1ccc([C@H](N)c2ccncc2)cc1C 11737350 VCAMUPUERIVAPE-CQSZACIVSA-N 212.296 2.747 0 40 BFAB in-vitro O=C(O)/C=C\c1ccc(OC2CCCC2)nc1 12359610 DCNDSOLFJFPRJP-VURMDHGXSA-N 233.267 2.501 0 40 BFAB O=C(NCC1CCCCC1)c1ccccc1 12375916 LGTPQVBRVVRWDX-UHFFFAOYSA-N 217.312 2.997 0 40 BFAB O=C(/C=C\c1ccccc1)Nc1nccs1 12410240 HKTMXBUQDTYWOK-SREVYHEPSA-N 230.292 2.795 0 40 BFAB Cc1ccc(C(=O)N[C@@H](C)c2ccccn2)s1 12537371 HUYAWOPVUPVUNI-JTQLQIEISA-N 246.335 2.943 0 40 BFAB C[C@H](NC(=O)[C@@H]1C[C@@H]1C)c1ccc(F)cc1 12913571 UGNNRFZFLLHTDD-HOTUBEGUSA-N 221.275 2.659 0 40 BFAB Cc1ccc(NC(=O)c2cccc(F)c2)nc1 13282380 NBCUBHUBNSKBFB-UHFFFAOYSA-N 230.242 2.781 0 40 BFAB CC(C)Cc1ccc(-c2ccnc(N)n2)cc1 15022164 WWJXSHWLDMNHHR-UHFFFAOYSA-N 227.311 2.924 0 40 BFAB COc1ccc([C@H](N)c2ccc(F)cc2)cc1 19414146 BNMHRRISVPBHAR-CQSZACIVSA-N 231.270 2.882 0 40 BFAB in-vitro COc1ccc(C(=O)O)c(C(C)(C)C)c1 19801574 XHIPXIYTCGATTH-UHFFFAOYSA-N 208.257 2.691 0 40 BFAB C1=CC(c2ccccc2)=N[C@H]2CCCC[C@H]2N1 20153849 VVUDASVFKRRYKL-CABCVRRESA-N 226.323 2.904 0 40 BFAB Nc1ccc(Cl)c(NC(=O)c2ccncc2)c1 20344212 UONFQZADUQNRJT-UHFFFAOYSA-N 247.685 2.570 0 40 BFAB Cc1ccc(Nc2ncccc2N)c(F)c1 20585793 WLCZICNNPYWJGG-UHFFFAOYSA-N 217.247 2.855 0 40 BFAB CCCNC(=O)c1csc(Br)c1 32779853 WVFORFDVRAXIRI-UHFFFAOYSA-N 248.145 2.650 0 40 BFAB C[C@H](N(C)C(=O)c1ccccn1)C(C)(C)C 32788102 AJGMHVYCONKNIU-JTQLQIEISA-N 220.316 2.588 0 40 BFAB C[C@@H]1C[C@H]1C(=O)N1CCCc2ccccc21 32975322 HRKQJDIJINBUOC-ZYHUDNBSSA-N 215.296 2.622 0 40 BFAB O=Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 36805070 ZHVPKUKAGOCESM-NSHDSACASA-N 240.686 2.710 0 40 BFAB CCOC(=O)C[C@@H]1CCc2ccccc21 39207192 GYOFMIPAKYRMQS-NSHDSACASA-N 204.269 2.670 0 40 BFAB in-vitro CC(C)(C)c1cc(=O)oc2cc(O)ccc12 40165594 ZVZQYXSNWRGJDS-UHFFFAOYSA-N 218.252 2.796 0 40 BFAB CCc1ccc([C@@H](C)NC(=O)C2CC2)cc1 42161607 MJYQJDSERVGYRD-SNVBAGLBSA-N 217.312 2.836 0 40 BFAB c1ccc(-c2nccc(C3CCNCC3)n2)cc1 43673960 CTSPNBREYDUYQN-UHFFFAOYSA-N 239.322 2.611 0 40 BFAB O=C(CCSc1ccccc1)NCC1CC1 43752378 NGKRUXQQYTXTDV-UHFFFAOYSA-N 235.352 2.695 0 40 BFAB COc1cccc(C(=O)c2ccc(F)cc2F)n1 45028754 ZTFJBNLRSCIHPF-UHFFFAOYSA-N 249.216 2.599 0 40 BFAB Cc1cc(C(=O)c2ccccn2)ccc1F 55199150 BDYBIXHLTPTSKX-UHFFFAOYSA-N 215.227 2.760 0 40 BFAB CC(=O)Nc1ccc(C)c(Br)c1 59458995 KEVGOMKRAFQTBF-UHFFFAOYSA-N 228.089 2.716 0 40 BFAB in-vitro CCc1ccc(NCCc2n[nH]c(CC)n2)cc1 62719400 OEAKNEHWBJHSMV-UHFFFAOYSA-N 244.342 2.584 0 40 BFAB Cc1cc(C)c(I)c(C)n1 66327846 CERXBESCMZGILC-UHFFFAOYSA-N 247.079 2.611 0 40 BFAB Cc1cc(C(C)(C)C)cc(C)c1[C@@H](O)CO 71524567 IUOHVZBHYFTNSD-LBPRGKRZSA-N 222.328 2.627 0 40 BFAB CC(C)[C@@H]1CN(C(=O)c2ccccc2)CCS1 76067620 IAPZYGUSVVKTBP-ZDUSSCGKSA-N 249.379 2.900 0 40 BFAB Cc1cccc(C)c1NC(=O)c1cnco1 82322970 HCKJLFORNMLOMI-UHFFFAOYSA-N 216.240 2.544 0 40 BFAB CCOc1ccc(C(=O)OC)c(Cl)c1 82724076 QECWYTIASPLJHT-UHFFFAOYSA-N 214.648 2.525 0 40 BFAB O=c1[nH]ccc2cc(Cl)c(Cl)cc12 85386227 QQOHARLRMFCNRR-UHFFFAOYSA-N 214.051 2.835 0 40 BFAB CC1CC(CN)([C@H](O)c2ccccc2Cl)C1 85395837 ZIIVEBDFWIBNRO-BKDHPRRPSA-N 239.746 2.748 0 40 BFAB O=C1C[C@@H](C(F)(F)F)Cc2occc21 85399116 FUWUCCBYTVSGRR-RXMQYKEDSA-N 204.147 2.587 0 40 BFAB CC(C)=CC(=O)Nc1ccc(Cl)cc1O 97229683 RNIPRADIANRTIV-UHFFFAOYSA-N 225.675 2.950 0 40 BFAB CCC[C@@H](N)C12C[C@@H]3C[C@H](CC(CN)(C3)C1)C2 100103573 WIRGLDXYFVCGGN-SFHDSZBYSA-N 236.403 2.659 0 40 BFAB CSc1ccc(C2CC(=O)CC(=O)C2)cc1 100103717 QQKNFZFHZOFLHX-UHFFFAOYSA-N 234.320 2.814 0 40 BFAB CC(C)CCOC(=O)[C@H]1C[C@H]2C=C[C@H]1C2 100236630 DHOOHGZXAASGHL-SRVKXCTJSA-N 208.301 2.788 0 40 BFAB CCc1ccccc1-c1nc(NC)co1 100279313 UFLDBNHNHXSESQ-UHFFFAOYSA-N 202.257 2.946 0 40 BFAB CC(=O)CC(=O)c1ccccc1Br 100347767 AVVHUCUHNBSRJB-UHFFFAOYSA-N 241.084 2.611 0 40 BFAB Cc1cc(C(=O)N[C@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)no1 101494785 XZTDGTZGCCWLJK-DDHJBXDOSA-N 248.326 2.538 0 40 BFAB CCc1cc(O)n2ncc(-c3ccccc3)c2n1 102706506 IFPHULLDLYVFDJ-UHFFFAOYSA-N 239.278 2.664 0 40 BFAB Cc1sc(N)c2c1-c1ccccc1C2=O 169748342 HTLQAIWUMFWQFX-UHFFFAOYSA-N 215.277 2.850 0 40 BFAB Cn1c(N2C[C@@H]3CCC[C@H]3C2)nc2ccccc21 179315402 ITAAVKYYZYPENP-RYUDHWBXSA-N 241.338 2.810 0 40 BFAB CC(C)Oc1cnc2ccc(N)cc2c1 685937288 GGDNZWNDAUGYDV-UHFFFAOYSA-N 202.257 2.604 0 40 BFAB CN(c1ccc(C(F)(F)F)cn1)n1cccc1 165437 ZODCOQJLFPIRGA-UHFFFAOYSA-N 241.216 2.801 0 40 BFAB Cc1ccc(C(=O)O[C@@H](C)CN2CCCC2)cc1 210644 QPYGUEXPHAAOCM-ZDUSSCGKSA-N 247.338 2.636 0 40 BFAB Cn1c(=O)c(-c2ccccc2)nc2ccccc21 383239 XWBFKTDOMCTTDQ-UHFFFAOYSA-N 236.274 2.601 0 40 BFAB Cc1ccc(/C=C/C(=O)NC(C)(C)C)cc1 587110 VOEPCZJVVGPDDA-MDZDMXLPSA-N 217.312 2.923 0 40 BFAB COc1ccc(C2O[C@@H](C)[C@H](C)O2)cc1 1693709 XMOHCCOGLAVOMA-IUCAKERBSA-N 208.257 2.518 0 40 BFAB C[C@H](OC[C@H]1CO1)c1ccc(Cl)cc1 3389621 JGGQRANUJHVHLH-KWQFWETISA-N 212.676 2.816 0 40 BFAB in-vitro CS[C@@H]1C[C@@H]2[C@H](C[C@@]1(C)O)C2(C)C 4027162 BEBHJEIMSRXFJR-PKIKSRDPSA-N 200.347 2.535 0 40 BFAB biogenic Cc1csc(NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)n1 4611213 TWKOKBQQEGAVOJ-AEJSXWLSSA-N 236.340 2.826 0 40 BFAB Cc1ccccc1[C@H]1NC(=O)c2ccccc2O1 5001179 KRDFUNCTNHRIKU-HNNXBMFYSA-N 239.274 2.816 0 40 BFAB CCCC[S@@](=O)/C=C\[S@@](=O)CCCC 5328503 DCYLNFVUQBIIBX-BXIWVINRSA-N 236.402 2.555 0 40 BFAB CCNC(=O)c1cc2c(C)cc(C)cc2[nH]1 12942394 SRUBWZYMHIHIJT-UHFFFAOYSA-N 216.284 2.534 0 40 BFAB CC[C@H](C)NC(=O)c1cc2ccccc2[nH]1 12978854 DVKREIJNRGKYFQ-VIFPVBQESA-N 216.284 2.696 0 40 BFAB Cc1nn(C)cc1NCc1cc(F)cc(F)c1 20350365 UQKWJVPAEKDRIS-UHFFFAOYSA-N 237.253 2.619 0 40 BFAB C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(N)cc1 22215738 RJVODUZLXDHLBY-QWRGUYRKSA-N 232.327 2.672 0 40 BFAB O=C1Nc2ccccc2/C1=C\c1ccc[nH]1 31262374 SEZFNTZQMWJIAI-DHZHZOJOSA-N 210.236 2.507 0 40 BFAB Sc1nnc(Cc2cccc3ccccc23)[nH]1 32500946 HMQSJRHYLAGODA-UHFFFAOYSA-N 241.319 2.837 0 40 BFAB O=C(CSc1ccccc1Cl)N1CCC1 32721258 MCDZEZMZPMODSV-UHFFFAOYSA-N 241.743 2.664 0 40 BFAB CC(C)(C)Nc1cc(C(=O)O)cc(Cl)n1 36960162 FEEZXQPKEOPTLE-UHFFFAOYSA-N 228.679 2.644 0 40 BFAB CC(C)(C)OC(=O)c1cc2cc(N)ccc2[nH]1 39120668 JSTGULOCVMYUNP-UHFFFAOYSA-N 232.283 2.705 0 40 BFAB c1ccc(SCCc2ccncc2)nc1 40465553 AUPNHKWPXBVKJL-UHFFFAOYSA-N 216.309 2.811 0 40 BFAB Fc1ccccc1-c1n[nH]cc1Br 42415146 BUXFOPVDJITVHK-UHFFFAOYSA-N 241.063 2.978 0 40 BFAB CCNC(=O)c1cccnc1Oc1ccccc1 44998635 QEOUGRKEFDKFQO-UHFFFAOYSA-N 242.278 2.624 0 40 BFAB CN(C(=O)c1ccco1)c1ccc(F)cc1 55745763 FGVRDRUBBPLRMF-UHFFFAOYSA-N 219.215 2.695 0 40 BFAB CC(C)NC(=O)NC1CCCCCCC1 58467535 MCEKCJAHJUAEKB-UHFFFAOYSA-N 212.337 2.807 0 40 BFAB Cc1cc(C)c(NC(=O)c2ccncc2)c(N)c1 70462817 FBIJUBIXOCKXBQ-UHFFFAOYSA-N 241.294 2.533 0 40 BFAB Cc1c(OC(F)(F)F)cccc1C(=O)O 71606252 RUHZYHRNERFCLT-UHFFFAOYSA-N 220.146 2.592 0 40 BFAB Cc1cc(C)n(C[C@H]2CCCN2CC(C)C)n1 71876083 UHBMZHNZCCRYIJ-CQSZACIVSA-N 235.375 2.620 0 40 BFAB CCc1ccc2nccc(/C=C/C(=O)O)c2c1 72206433 NFKSELTWBUAKQI-GQCTYLIASA-N 227.263 2.895 0 40 BFAB COc1cccc2[nH]c(C(=O)O)c(Cl)c12 72220921 BAMWHSAEQKAMJS-UHFFFAOYSA-N 225.631 2.528 0 40 BFAB CCOc1cc(C)c([C@H](O)c2ccccc2)cn1 72223131 WRUGXRYMLYIQRB-OAHLLOKOSA-N 243.306 2.870 0 40 BFAB CCOc1cc(C)c([C@@H](N)c2ccccc2)cn1 72223138 GWXKUHQCXBWTCA-HNNXBMFYSA-N 242.322 2.837 0 40 BFAB N[C@@H]1CCCC[C@H]1NCc1ccc(Cl)cc1 72411166 FBVLDSYXYDSPMZ-CHWSQXEVSA-N 238.762 2.700 0 40 BFAB CC(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1 78152232 QFLGJBVPCJJYCM-UONOGXRCSA-N 217.312 2.534 0 40 BFAB CCCOc1c(F)cc(C=O)cc1F 84193516 APTLQYMOEASYPM-UHFFFAOYSA-N 200.184 2.566 0 40 BFAB CC(C)[C@H](C)CC(=O)N[C@@H]1CCC[C@@H]1C 84691762 NKVNHQJBZCFEHP-QJPTWQEYSA-N 211.349 2.973 0 40 BFAB C[C@H](N[C@H](CO)CC(C)(C)C)c1ccco1 90589715 OVAQNMWILPNUDC-QWRGUYRKSA-N 225.332 2.727 0 40 BFAB CC(C)Cc1nnc(NCc2ccsc2)o1 96494345 NPRKBIGTKBPKQO-UHFFFAOYSA-N 237.328 2.942 0 40 BFAB C[C@H](C[S@](C)=O)N(C)CC1CCCCCC1 97161728 MHAFJMQSUSNTMC-MLGOLLRUSA-N 245.432 2.656 0 40 BFAB N=C1O[C@@H](c2ccc3c(c2)CCC3)C(O)=C1O 104239718 KKDPDCDNEQPZTK-LBPRGKRZSA-N 231.251 2.551 0 40 BFAB OC[C@@H]1CCC[C@H]1N[C@@H](c1ccccc1)C1CC1 108328932 NPMNSDBGGAEZJK-XHSDSOJGSA-N 245.366 2.888 0 40 BFAB Cc1nn(-c2ccccc2)c2ncc(C=O)cc12 111339410 IPVAHSHOCLKKKX-UHFFFAOYSA-N 237.262 2.541 0 40 BFAB Cc1c(C)c(C)c([C@@H](C)NN)c(C)c1C 199534924 NKVZHSKODAZORE-GFCCVEGCSA-N 206.333 2.753 0 40 BFAB C[C@H](OCc1ccccc1Cl)[C@H]1CO1 256055021 YVDQKEWBBOXMPE-GZMMTYOYSA-N 212.676 2.644 0 40 BFAB O=C(O)[C@H]1Oc2ccccc2[C@@H]1c1ccccc1 1587599 CSQHMXGTEXRJLR-KBPBESRZSA-N 240.258 2.664 0 40 BFAB N[C@@H]1C[C@H]1c1cc(Cl)ccc1Cl 3652586 HWVLFVDCULHPCP-IONNQARKSA-N 202.084 2.808 0 40 BFAB COc1cc2ccccc2cc1C(=O)NC(C)C 5171560 OJUWVXUKPQTALI-UHFFFAOYSA-N 243.306 2.987 0 40 BFAB COc1cccc(CNC(=O)C2CCCC2)c1 5611430 GJFPYJOKGXMYCH-UHFFFAOYSA-N 233.311 2.502 0 40 BFAB O=C(NCc1ccccc1F)c1ccc(F)cc1 5630759 HEKFPPCPRPOCFQ-UHFFFAOYSA-N 247.244 2.895 0 40 BFAB COc1ccc(-c2ccc(CN)cc2)cc1 5703108 IWMYHDWDAGSRFY-UHFFFAOYSA-N 213.280 2.821 0 40 BFAB in-vitro Cc1ccc(NC(=O)C[C@@H](C)N2CCCC2)cc1 5738830 VJAVIGCLFFDMRS-CYBMUJFWSA-N 246.354 2.808 0 40 BFAB CC(=O)N[C@@]1(C)[C@H]2CC[C@]3(C)N=C(C)[C@@H]1C[C@H]3C2 5757852 QAZDHIAODBUACH-AICCOOGYSA-N 248.370 2.551 0 40 BFAB CCC1=NO[C@@H](C)[C@@H]1C(=O)OCc1ccccc1 5781546 UVJRUSOTHJUKSM-GWCFXTLKSA-N 247.294 2.531 0 40 BFAB C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2)C1 6416788 ZIYABAITZZCZFQ-RYUDHWBXSA-N 217.312 2.805 0 40 BFAB COc1ccc(CSc2nccn2C)cc1 6447828 CGPACVISQNXVLK-UHFFFAOYSA-N 234.324 2.721 0 40 BFAB CC[C@H](C)NC(=S)Nc1cccc(OC)c1 7522282 BSYOVKUAUVXXRS-VIFPVBQESA-N 238.356 2.780 0 40 BFAB C[C@H]1C[C@H]1C(=O)N(C)Cc1ccc(Cl)cc1 12979429 AHXDZHQQWSTZBK-JOYOIKCWSA-N 237.730 2.954 0 40 BFAB CC(=O)c1cc(O)c2c(c1)C=CC(C)(C)O2 13306403 ZGQPPXFOPXPHJR-UHFFFAOYSA-N 218.252 2.779 0 40 BFAB biogenic Cc1csc(-n2c(C)cc(C(=O)O)c2C)n1 19384798 KUUYQXPDLVDRAD-UHFFFAOYSA-N 236.296 2.557 0 40 BFAB OCc1ccccc1OCc1cccc(F)c1 20032664 XFKUVQSEPCEFFC-UHFFFAOYSA-N 232.254 2.897 0 40 BFAB C[C@@H]1CCCC[C@@H]1Nc1cccc(C(N)=O)c1 20124821 YGGLFJUQOBHHRE-MFKMUULPSA-N 232.327 2.776 0 40 BFAB C[C@@H](N)[C@@H]1C[C@@H]1c1ccc(Br)cc1 20594478 ZDRRHNMZTLAZCG-PPKCKEKNSA-N 240.144 2.900 0 40 BFAB CCCCNCc1nc2ccc(C)cc2[nH]1 22122047 BVSBQZKLLOJOPB-UHFFFAOYSA-N 217.316 2.761 0 40 BFAB Cc1nn(C)c(C)c1NC(=O)CC1CCCC1 22837815 QIAHGUPBRBHRRQ-UHFFFAOYSA-N 235.331 2.556 0 40 BFAB Cc1cc(C(=O)NCc2ccccn2)sc1C 28200102 VGYQYHGTCZXBAP-UHFFFAOYSA-N 246.335 2.690 0 40 BFAB COc1cccc(NC(=O)Nc2nccs2)c1 28226907 KVRIJFIVIWXXKI-UHFFFAOYSA-N 249.295 2.796 0 40 BFAB Cc1cc(C)nc(NCC2CCCC2)n1 35234395 FVNNCMHCXKPXNJ-UHFFFAOYSA-N 205.305 2.696 0 40 BFAB Cc1ccc2nc(NC(=O)N(C)C)sc2c1 41566079 PDESXHCMRWRFIL-UHFFFAOYSA-N 235.312 2.698 0 40 BFAB Cc1ccnc(NC(=O)c2cc(Cl)c[nH]2)c1 48264801 JXCBWMPMMABUBI-UHFFFAOYSA-N 235.674 2.624 0 40 BFAB Cc1ccc(C)c(SCC(=O)NC2CC2)c1 49823967 XBTURDIZPVEJCE-UHFFFAOYSA-N 235.352 2.674 0 40 BFAB COC(=O)c1occc1CN(C)c1ccccc1 57941500 KXECHNYXRATGTI-UHFFFAOYSA-N 245.278 2.703 0 40 BFAB CC(C)N1CCC[C@@H]1c1cccnc1S 72217060 PISWEHSIECXZPC-LLVKDONJSA-N 222.357 2.916 0 40 BFAB CCOc1ccc2cc(C(=O)O)oc2c1 72219716 OUPXFUMTFSUKMR-UHFFFAOYSA-N 206.197 2.530 0 40 BFAB Cc1ccc(-c2cc(C3(CN)CC3)no2)cc1C 72220681 GGODCAQWLBTUKE-UHFFFAOYSA-N 242.322 2.949 0 40 BFAB CC(C)N(CCO)[C@H](C)c1ccc(F)cc1 79421188 SXDVVOOBFIYEPC-LLVKDONJSA-N 225.307 2.589 0 40 BFAB Brc1cc2c(s1)CCC2 82326487 LBNYJOKDKDOPDY-UHFFFAOYSA-N 203.104 2.999 0 40 BFAB CC(C)C[C@H](Cc1ccn(C(C)C)n1)C(=O)O 85167643 JWJKTEDJKIFWNQ-LLVKDONJSA-N 238.331 2.753 0 40 BFAB O=C(c1ccccc1F)C(F)(F)Cl 141305606 ZXJPZONFPNUOAJ-UHFFFAOYSA-N 208.566 2.840 0 40 BFAB CCOc1c(Br)cc(F)cc1C=O 214472065 ZEOBCTFUICCGBK-UHFFFAOYSA-N 247.063 2.799 0 40 BFAB C[C@@H](c1ccccc1)n1ccc(CO)c1 223722021 RVWKXRCIGBMUQP-NSHDSACASA-N 201.269 2.590 0 40 BFAB COC(=O)c1ccn(-c2c(C)cccc2C)c1 223724338 MCBSNQOFAPJWRB-UHFFFAOYSA-N 229.279 2.881 0 40 BFAB C[C@@H](O)c1ccc(CNc2ccc(F)cn2)cc1 225818228 XNJAOZJQFMDXEB-SNVBAGLBSA-N 246.285 2.886 0 40 BFAB COC(=O)C1(c2cc(C)cc(C)c2)CC1 347700173 JDUYPGKUXJSQAR-UHFFFAOYSA-N 204.269 2.508 0 40 BFAB CC(=O)OC(C)(C)C(=O)c1ccc(C)cc1F 575361745 CHLDVUBFMKZYQK-UHFFFAOYSA-N 238.258 2.659 0 40 BFAB COC(=O)c1cc(-c2cc(C)c(C)cc2C)[nH]n1 604941636 KYIRXIILWHMMTA-UHFFFAOYSA-N 244.294 2.789 0 40 BFAB CC(C)c1ncnc(N2CC[C@H](CF)C2)c1F 2086918806 KFLBAWZNZZPECA-SECBINFHSA-N 241.285 2.535 0 40 BFAB Cc1cccc(C(=O)NC2CCCC2)c1 383601 ACBHDTAGNLMYRV-UHFFFAOYSA-N 203.285 2.667 0 40 BFAB CC(C)(C)C(=O)NCCn1ccc2ccccc21 427857 GKCOISMINNNSAT-UHFFFAOYSA-N 244.338 2.804 0 40 BFAB CCCCCC(=O)Oc1ccccc1C(=O)O 1555362 HJGHIUCZKMIOLV-UHFFFAOYSA-N 236.267 2.871 0 40 BFAB O=C(OCCc1ccccc1)[C@H]1C[C@@H]2C=C[C@H]1C2 1695525 XKOYSRHHVYJVSY-ILXRZTDVSA-N 242.318 2.985 0 40 BFAB COc1ccc(CCC(=O)C2CCC2)cc1 2516589 ADBSKZQPDIGKCC-UHFFFAOYSA-N 218.296 2.997 0 40 BFAB CC[n+]1ccccc1-c1nc2ccccc2o1 3056472 VOGHFJTUIGZODJ-UHFFFAOYSA-N 225.271 2.802 0 40 BFAB Nc1[nH]ncc1-c1ccc(C(F)(F)F)cc1 3637805 CKHMZPKSCCBXJU-UHFFFAOYSA-N 227.189 2.678 0 40 BFAB CC[C@@H](C)NC(=O)c1cc2sccc2n1C 4971123 INXXOLQONCYCHT-MRVPVSSYSA-N 236.340 2.768 0 40 BFAB CCC(=O)N[C@H](C)c1cc(C)ccc1C 6741720 WTLMLAAXOBPLCL-LLVKDONJSA-N 205.301 2.891 0 40 BFAB CSc1ccccc1NCC(C)(C)C(=O)O 8702840 FZTBUICGDANSNH-UHFFFAOYSA-N 239.340 2.931 0 40 BFAB CCCCc1nnc2sc(-c3ccco3)nn12 11278351 PXXNJIFRDWEPKV-UHFFFAOYSA-N 248.311 2.788 0 40 BFAB CC(C)Nc1ccc(Br)cn1 21508552 UMZUXTPLNJIIJU-UHFFFAOYSA-N 215.094 2.664 0 40 BFAB in-vitro C[C@H]1CCCN(C(=O)[C@@H]2CC=CCC2)C1 32843732 BJJIRGXHGXQQKS-NWDGAFQWSA-N 207.317 2.601 0 40 BFAB Nc1nc2c(s1)C[C@H]1CCCC[C@@H]1C2 34617907 JHUMDYXYRRVVRQ-HTQZYQBOSA-N 208.330 2.630 0 40 BFAB CCCOc1cc(-c2ccccc2)nc(N)n1 36139567 WXAFXHYCNVMTSY-UHFFFAOYSA-N 229.283 2.515 0 40 BFAB Cc1nc(-c2ccc(F)cc2)sc1CCN 41269725 MJJQHIPQACRSGY-UHFFFAOYSA-N 236.315 2.759 0 40 BFAB CC[C@H](C)Oc1ccc(CNCCOC)cc1 62729043 DCLVRCSYRLDRAS-LBPRGKRZSA-N 237.343 2.600 0 40 BFAB CCOc1cc(N)ccc1NC(=O)c1ccco1 73638466 ZBJXAZFYEBNHAV-UHFFFAOYSA-N 246.266 2.513 0 40 BFAB CC(C)COc1ccccc1[C@H]1C[C@@H]1CN 80441726 RJVKMTDEGZFHTQ-YPMHNXCESA-N 219.328 2.784 0 40 BFAB O=C1NCCc2cc(-c3ccccc3)ccc21 82539492 JIFHLFJWIUUCJC-UHFFFAOYSA-N 223.275 2.640 0 40 BFAB in-vitro O=C(O)c1cc(-c2cc(Cl)ccc2F)on1 82608231 GQEZYFMIYKOCLS-UHFFFAOYSA-N 241.605 2.832 0 40 BFAB O=C(O)c1ccc2cnc(Cl)cc2c1 95628598 XYHYBNUDOGWNRA-UHFFFAOYSA-N 207.616 2.586 0 40 BFAB CCC(CC)Nc1cnn(CC(F)F)c1 96494893 YOPWYLARJUGHBZ-UHFFFAOYSA-N 217.263 2.749 0 40 BFAB O=C(C1=NO[C@H]2[C@@H]3CC[C@H](C3)[C@H]12)c1ccccc1 103107587 CEAYTPVKXPIMKF-BLTAXRJOSA-N 241.290 2.670 0 40 BFAB Nc1c(Cl)ccc(C(F)(F)F)c1C(=O)O 113839572 AMEWIAAFLVFLDY-UHFFFAOYSA-N 239.580 2.639 0 40 BFAB COCCCNC(=O)c1cc2cccc(C)c2o1 139459087 FZTGBEOJRRZAOE-UHFFFAOYSA-N 247.294 2.508 0 40 BFAB CC[C@H](NN)c1ccc(Cl)cc1Cl 161780309 KFBWSHCUBRGFFU-VIFPVBQESA-N 219.115 2.908 0 40 BFAB CCCn1c(CC(C)C)ccc1C(=O)O 226022756 UWHKFARQIAQBGP-UHFFFAOYSA-N 209.289 2.795 0 40 BFAB CCCCCNCc1cc(C(C)C)nn1C 256050315 DPLSXTFPDODYDF-UHFFFAOYSA-N 223.364 2.823 0 40 BFAB Cc1ccc(CNC(=O)C2CC(F)(F)C2)cc1 335686498 RWOZNVCWGPGWHK-UHFFFAOYSA-N 239.265 2.657 0 40 BFAB O=C(CC(=O)c1ccccc1)Oc1ccccc1 399877 ISCZZQOPXNFELV-UHFFFAOYSA-N 240.258 2.865 0 40 BFAB CCCCCC[C@H]1OC[C@@H](CCCCO)O1 1674882 MICLGFWYTNNRFS-OLZOCXBDSA-N 230.348 2.861 0 40 BFAB Oc1ccc(OCCOc2ccc(O)cc2)cc1 1691104 CLMNUWIUDGZFCN-UHFFFAOYSA-N 246.262 2.556 0 40 BFAB CN(C)[C@H]1CCC[C@@H](OC(=O)c2ccccc2)C1 2022229 JBVFPGXAVRVORZ-UONOGXRCSA-N 247.338 2.716 0 40 BFAB CCN(CC)C(=S)Cc1ccccc1 3173337 ZXFIKWHMJQIYEJ-UHFFFAOYSA-N 207.342 2.898 0 40 BFAB CCOC(=O)c1ccn2c1O[C@H](C)CC2(C)C 5105468 GQLANPYLBDZODH-SECBINFHSA-N 237.299 2.571 0 40 BFAB Cc1cc(C(=O)Nc2ccccc2O)c(C)n1C 8051703 CBXNPXXPOQJMQM-UHFFFAOYSA-N 244.294 2.600 0 40 BFAB CC[C@H](Nc1cc(C)cc(C)c1)C(=O)O 8702766 PNYCXOLDCZZOLO-NSHDSACASA-N 207.273 2.579 0 40 BFAB Nc1nnc(-c2ccccc2C(F)(F)F)s1 8726985 TWXQRAMCZAUPAN-UHFFFAOYSA-N 245.229 2.806 0 40 BFAB CCCC[C@]1(C)NC(=O)N(c2ccccc2)N1 8812982 ZNHGAAACBKRWMI-CYBMUJFWSA-N 233.315 2.627 0 40 BFAB C[C@@H]1CCCN(Cc2ccccc2C(=O)O)C1 11959241 KTRJUVXZVFTZAA-LLVKDONJSA-N 233.311 2.617 0 40 BFAB CCOC(=O)[C@H](C)Cc1c[nH]c2ccccc12 14517531 VNYVSHODDXWJGI-SNVBAGLBSA-N 231.295 2.910 0 40 BFAB biogenic O=C1Nc2ccccc2C(=O)[C@H]1c1ccccc1 15924493 IPYIJVQAAGLSKC-CYBMUJFWSA-N 237.258 2.605 0 40 BFAB CCc1nc(C)cn1C(=O)Nc1ccc(F)cc1 16162521 SJXMFIROVHIJJW-UHFFFAOYSA-N 247.273 2.973 0 40 BFAB CCc1ccc([C@@H](C(=O)O)N2CCCCC2)cc1 16872936 TYFUGOFIQZKNDT-AWEZNQCLSA-N 247.338 2.861 0 40 BFAB Fc1ccc(Oc2ncccn2)cc1F 17117819 HZQZWDQDMCTSJB-UHFFFAOYSA-N 208.167 2.547 0 40 BFAB Cc1cccc(O[C@H]2CCCC[C@@H]2N)c1 19384726 DFOCZGSNKRHCGJ-STQMWFEESA-N 205.301 2.644 0 40 BFAB in-vitro C[C@@H](N)[C@H]1C[C@@H]1c1ccc(Br)cc1 20594480 ZDRRHNMZTLAZCG-AVPPRXQKSA-N 240.144 2.900 0 40 BFAB Cc1ccccc1NC(=O)c1cncs1 22073174 JSYCPZIPSDSEJS-UHFFFAOYSA-N 218.281 2.704 0 40 BFAB Cc1nc(NC(=O)C(C)(C)C)nc2c1CCCC2 32765261 XXWLZKUNDASHHS-UHFFFAOYSA-N 247.342 2.648 0 40 BFAB CCCCOc1c(C)cccc1C(=O)O 37729629 GHWSCGPOZYFHBM-UHFFFAOYSA-N 208.257 2.872 0 40 BFAB CN(c1cc(Cl)ncn1)C1CCCCC1 40422320 ABMUITJUFSCJBZ-UHFFFAOYSA-N 225.723 2.899 0 40 BFAB CC(C)CO[C@@H](C)C(=O)Nc1cccc(F)c1 40521077 RAWADCJCELJGSK-JTQLQIEISA-N 239.290 2.825 0 40 BFAB Cc1ncsc1C(=O)NCCC(C)(C)C 40534045 FRDZCHURCNZNLK-UHFFFAOYSA-N 226.345 2.618 0 40 BFAB CC[C@@H](C)n1cc(C=O)c(C(C)(C)C)n1 40930831 VNLJRGALKZYSIL-SECBINFHSA-N 208.305 2.964 0 40 BFAB CCC[C@@H](O)c1cc(F)c(F)c(F)c1 43391905 PTBJKCIEENWPKH-SECBINFHSA-N 204.191 2.937 0 40 BFAB CCC(=O)[C@H]1C[C@@H](C(C)(C)C)CCC1=O 43651714 UUOALHMQTJPKOY-VHSXEESVSA-N 210.317 2.997 0 40 BFAB Brc1ccc(C2CCOCC2)cn1 44122018 OFIZSNYPAGPZMW-UHFFFAOYSA-N 242.116 2.738 0 40 BFAB CCOC(CCn1c(C)ccc1C)OCC 47843940 AWLGANVJZVKIIN-UHFFFAOYSA-N 225.332 2.894 0 40 BFAB in-vitro CC(C)c1cc(NC(=O)c2ccccc2)[nH]n1 49044538 OKXCLZYXYFVSQK-UHFFFAOYSA-N 229.283 2.785 0 40 BFAB O=C(CC1CCCCC1)N1CCSCC1 49208837 RQPXGRKYLKOQTG-UHFFFAOYSA-N 227.373 2.532 0 40 BFAB COc1cccc(COc2nc(C(C)C)no2)c1 69771366 UFLHRMMFMYQGFT-UHFFFAOYSA-N 248.282 2.781 0 40 BFAB CC[C@@H](C(=O)O[C@H]1CCOC1)c1ccccc1 71883885 LPUSOKKFKZYVIZ-QWHCGFSZSA-N 234.295 2.512 0 40 BFAB COCCCc1nc(-c2cccnc2)cs1 71921683 SIBILHYRVDXFAL-UHFFFAOYSA-N 234.324 2.784 0 40 BFAB CCCN1CCC[C@H]1c1cnc(NC)cc1C 72219042 SMTPAHHHBWSFJG-ZDUSSCGKSA-N 233.359 2.979 0 40 BFAB Cc1nc(Oc2ccccc2)ccc1CCO 72224212 RBWOWUZHGCPCMH-UHFFFAOYSA-N 229.279 2.717 0 40 BFAB c1ccc(-c2noc([C@@H]3CCCO3)n2)cc1 72595190 RVUZAOFOELPMNM-JTQLQIEISA-N 216.240 2.588 0 40 BFAB CCOc1c(Cl)ccc(/C=C/C(=O)O)c1F 91252118 PJYOROFBBRKJCT-GQCTYLIASA-N 244.649 2.976 0 40 BFAB Cc1ccc(NCC(C)(C)C)cc1C(N)=O 95429025 XCNDUQWDTLHPJC-UHFFFAOYSA-N 220.316 2.552 0 40 BFAB COc1cc(Cl)cc2c1ccn2C(C)=O 95934619 HKWQPNJBQHOFTG-UHFFFAOYSA-N 223.659 2.963 0 40 BFAB CC(=O)Nc1c(-c2cc[nH]n2)oc2ccccc12 101319453 WGYDDJDDHOZFKG-UHFFFAOYSA-N 241.250 2.781 0 40 BFAB CC1(C)[C@@H]2CN(c3nc(C4CC4)ns3)C[C@H]21 102339354 WLAHBIQVKCBQAR-RKDXNWHRSA-N 235.356 2.508 0 40 BFAB FCCOCc1ccccc1Br 150014709 PHMNYIFIOVQVME-UHFFFAOYSA-N 233.080 2.935 0 40 BFAB O=Cc1ccc(C(F)(F)C(F)(F)F)nc1 169802198 GIJKNSZMUDKAAR-UHFFFAOYSA-N 225.116 2.548 0 40 BFAB CCC(CC)C(=O)N[C@H](COC)c1ccco1 193119226 SCPFMGKJIJPMNZ-LLVKDONJSA-N 239.315 2.520 0 40 BFAB Cc1cccc(-n2cccc2/C=C/C(=O)O)c1 223751934 BKSCMGZBUHQYLY-BQYQJAHWSA-N 227.263 2.884 0 40 BFAB Cc1nc(OC[C@@H]2CCCOC2)sc1C 585651498 DIGYQKMDNGIFAF-SNVBAGLBSA-N 227.329 2.565 0 40 BFAB CC[C@@H](C)n1ncc2cc(F)ccc2c1=O 899355731 UJXCFFOMGXRZIR-MRVPVSSYSA-N 220.247 2.507 0 40 BFAB Cc1ccc(C)c([C@H](C(N)=O)C(C)C)c1 1589750 IPZQTAGUPUCIBQ-GFCCVEGCSA-N 205.301 2.528 0 40 BFAB CCCCCC[C@H]1N=C(C)O[C@@H]1C(=O)OCC 2077680 YTAGBHAZHZJPHG-NEPJUHHUSA-N 241.331 2.706 0 40 BFAB FC(F)(F)[C@H]1C[C@@H](C2CC2)Nc2ccnn21 2766448 LDDDMXZXZTZPGS-JGVFFNPUSA-N 231.221 2.581 0 40 BFAB CC(=O)c1cc(C(C)=O)c(N(C)N=O)cc1C 4752116 IYUXIZRFARNZRZ-UHFFFAOYSA-N 234.255 2.518 0 40 BFAB CCC(CC)NC(=O)c1ccccc1F 5501631 VWUOVGSUWZUTBN-UHFFFAOYSA-N 209.264 2.744 0 40 BFAB C[C@H]1CCCCN1C(=O)[C@@H]1CC=CCC1 6037519 KRHYGGFLEBNTHQ-NWDGAFQWSA-N 207.317 2.744 0 40 BFAB COC(=O)c1cc(C)n(Cc2ccco2)c1C 8277483 SXHDUPPHHDRBOX-UHFFFAOYSA-N 233.267 2.533 0 40 BFAB Cc1csc(NC(=O)c2ccc(Cl)o2)n1 12690336 QXXSYDUKHXAQLC-UHFFFAOYSA-N 242.687 2.950 0 40 BFAB C[C@@H]1C[C@H]1C(=O)N(C)Cc1ccccc1Cl 12979436 MISYTIIRDFJOOG-MWLCHTKSSA-N 237.730 2.954 0 40 BFAB Fc1ccc(O[C@H]2CCCNC2)cc1Cl 14631682 NPTBCZJXGMWMFA-VIFPVBQESA-N 229.682 2.610 0 40 BFAB in-vitro COC1=CC(=O)O[C@H](/C=C\c2ccccc2)C1 14953674 XEAQIWGXBXCYFX-QDZRJHCZSA-N 230.263 2.546 0 40 BFAB endogenous,in-man CCCC[C@H](CC)C1N(C)CCCN1C 19319383 WPWCLYYNJKTGOQ-LBPRGKRZSA-N 212.381 2.796 0 40 BFAB Cc1ccc(N(C)CCC(=O)O)cc1Cl 20133794 PMUZJQLZRGHFFI-UHFFFAOYSA-N 227.691 2.559 0 40 BFAB CCCCN(CCCC)C[C@H](N)C(C)C 20485822 LAOZXUKGSSEHFF-ZDUSSCGKSA-N 214.397 2.872 0 40 BFAB COc1ccc(NC(=O)c2cccc(C)n2)cc1 24254735 SQCCPKSNBSBUOF-UHFFFAOYSA-N 242.278 2.651 0 40 BFAB O=C1CCN(C(=S)CCc2ccccc2)CC1 27232072 ADUWYSYCVYHHEZ-UHFFFAOYSA-N 247.363 2.612 0 40 BFAB C[C@H](NC(=O)[C@@H]1C[C@@H]1C)c1ccccc1F 32983400 XNYJBCQPDXPRNK-ATZCPNFKSA-N 221.275 2.659 0 40 BFAB C[C@@H](Nc1ccn(C)n1)c1ccccc1F 37471898 RJMVDQPPABXBPS-SECBINFHSA-N 219.263 2.732 0 40 BFAB FC(F)C(F)(F)COc1ccccc1 39239196 USHXKIDCPBXMEZ-UHFFFAOYSA-N 208.154 2.966 0 40 BFAB Cc1cc(C)c(C(=O)CCC(=O)O)cc1C 43214207 OMQTWJNRKGJMAG-UHFFFAOYSA-N 220.268 2.659 0 40 BFAB C[C@H](CCNCCn1ccnc1)c1ccccc1 43534314 VUIVOKWHQQARGE-CQSZACIVSA-N 243.354 2.667 0 40 BFAB c1ccc2sc(S[C@H]3CCNC3)nc2c1 51784010 RMPSONBXKRRYFM-QMMMGPOBSA-N 236.365 2.750 0 40 BFAB CCOC(=O)c1cc(OC)cc(Cl)c1OC 57339992 RRGSNXDXLCUAHG-UHFFFAOYSA-N 244.674 2.534 0 40 BFAB Cc1nnc([C@@H](C)Sc2ccccn2)o1 59360175 KTURFAZHOGCOGA-SSDOTTSWSA-N 221.285 2.626 0 40 BFAB CSc1nnc(Cc2ccccc2F)o1 67954497 VWNLKIYCDPLGEO-UHFFFAOYSA-N 224.260 2.521 0 40 BFAB CCc1ccccc1[C@H](O)c1ccco1 68979260 CGTJFMGQTFPHQG-ZDUSSCGKSA-N 202.253 2.924 0 40 BFAB Fc1cccc(CC2CCNCC2)c1F 69640967 ZSVYUVLQVUGNIF-UHFFFAOYSA-N 211.255 2.507 0 40 BFAB CN1CCCC[C@@H]1c1ccc(NC2CC2)nc1 72213792 UHESTQSWMMCWLI-CYBMUJFWSA-N 231.343 2.813 0 40 BFAB CSc1ccc(NC(=O)c2ccc(C)o2)nc1 72286519 SZTXOVPLGRMABK-UHFFFAOYSA-N 248.307 2.957 0 40 BFAB Cc1cc(C)c2nc(C(=O)O)ccc2c1 74941684 DDSQDBPEJGLRPY-UHFFFAOYSA-N 201.225 2.550 0 40 BFAB CC(C)(C)CNC(=O)C1(c2ccccc2)CC1 82285321 MDYZAZQSUNDGIJ-UHFFFAOYSA-N 231.339 2.881 0 40 BFAB COC(=O)Cc1c(OC)ccc2ccccc12 82726415 KAZWYLJXGZCKDG-UHFFFAOYSA-N 230.263 2.564 0 40 BFAB NCc1c(C(F)(F)F)cncc1C(F)(F)F 91252206 IRJVAZWPFLYOQV-UHFFFAOYSA-N 244.138 2.578 0 40 BFAB c1cc(N[C@H]2CCOC2)cc(N2CCCCC2)c1 95971904 RBEPWEMNXGBQBI-AWEZNQCLSA-N 246.354 2.878 0 40 BFAB COc1cccc(CNc2cnccc2OC)c1 95972283 JCNHJEMVHFAZGA-UHFFFAOYSA-N 244.294 2.711 0 40 BFAB CCCn1cc(NC(=O)C[C@H]2C=CCC2)cn1 96431415 GKBOIQVXWIKREO-NSHDSACASA-N 233.315 2.588 0 40 BFAB CCS(=O)(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 96510164 MPILENOIGWDAOP-WDEREUQCSA-N 244.743 2.631 0 40 BFAB CCN(C[C@@H](N)CCSC)C1CCCCC1 96523869 UEMCHYRWCXPGHN-LBPRGKRZSA-N 244.448 2.721 0 40 BFAB FC(F)(F)c1cccc([C@]23CNC[C@@H]2C3)c1 100009005 QNUMSACSERBQDH-QWRGUYRKSA-N 227.229 2.566 0 40 BFAB FC(F)Cn1cc(NCc2ccccc2)cn1 153207816 TWVIENZDUACQLT-UHFFFAOYSA-N 237.253 2.760 0 40 BFAB O=C(Nc1ccn2nccc2c1)c1ccsc1 217956315 BKYMBBUNRFLYRK-UHFFFAOYSA-N 243.291 2.648 0 40 BFAB COc1cc(F)ccc1C(=O)C(F)(F)Cl 308834539 VSKIRYIDWOLVAV-UHFFFAOYSA-N 238.592 2.849 0 40 BFAB Cc1ncn(-c2c(C)cccc2Cl)n1 2362803579 MUYREZOHOZTXKE-UHFFFAOYSA-N 207.664 2.538 0 40 BFAB Cc1cccc(NC(=O)C(F)(F)F)c1C 300986 DDTLKRKSMLMEDX-UHFFFAOYSA-N 217.190 2.804 0 40 BFAB biogenic Cc1occc1C(=O)N1CCCC[C@@H]1C 1480386 KUOQNMUBBLLRIL-VIFPVBQESA-N 207.273 2.603 0 40 BFAB O=C1CC2(CCCC2)CC(=O)N1c1ccccc1 1739762 BKZIVDQSPFACDP-UHFFFAOYSA-N 243.306 2.900 0 40 BFAB CCCCN(C)c1ccc(NC(C)=O)cc1 2187200 FPJIMHYMQMPZCY-UHFFFAOYSA-N 220.316 2.881 0 40 BFAB C1CC[C@@H]2S[C@H]3CCCC[C@@H]3N[C@H]2C1 5297559 MGTISLRHMWCSLR-BJDJZHNGSA-N 211.374 2.945 0 40 BFAB CCOc1ccc(-n2cccc2C(=O)O)cc1 6876153 OJQXQPHMGWLYPA-UHFFFAOYSA-N 231.251 2.574 0 40 BFAB CC(C)COC(=O)c1cc(=O)c2ccccc2o1 8716970 KYZHURLEMJKRAV-UHFFFAOYSA-N 246.262 2.606 0 40 BFAB C[C@@H]1CCCN(Cc2cccc(C(=O)O)c2)C1 8730771 BWUVQNUQEWRMLP-LLVKDONJSA-N 233.311 2.617 0 40 BFAB C[C@H](NC(=O)c1cccc2cccnc12)C1CC1 15480543 OERHGFLAALXICW-JTQLQIEISA-N 240.306 2.763 0 40 BFAB CC[C@@H](C)N1CCN(Cc2ccc(C)cc2)CC1 19889608 KYJKJHIZDCHKLA-OAHLLOKOSA-N 246.398 2.911 0 40 BFAB Cc1cc(C(=O)N2CCC(C)CC2)c(C)o1 20344801 DQRVUZSVKIETQX-UHFFFAOYSA-N 221.300 2.769 0 40 BFAB O=C1c2ccccc2N=C(Cl)[C@H]2CCCN12 22126707 OARRMOJJRGLOTO-SNVBAGLBSA-N 234.686 2.574 0 40 BFAB CCOC(=O)Cc1cc(Cl)c2ccccc2n1 26507273 VEYZUDAUAVCEPZ-UHFFFAOYSA-N 249.697 2.994 0 40 BFAB CCN(CC)C(=O)[C@@H]1CCCc2ccccc21 32755289 OUGXDIWHVPMEKI-CQSZACIVSA-N 231.339 2.975 0 40 BFAB CC(C)CCNC(=O)CCc1cccs1 36140564 HORDRIWPBCTQMF-UHFFFAOYSA-N 225.357 2.843 0 40 BFAB CCOC(=O)[C@H]1C[C@@H](c2ccccc2)CCC1=O 38665665 JZNYKTFYDHOKCD-STQMWFEESA-N 246.306 2.703 0 40 BFAB Cc1ccc(C(=O)N2CCCC[C@@H]2C)o1 40488468 CECWPQWFFISUPB-VIFPVBQESA-N 207.273 2.603 0 40 BFAB Cc1ncsc1C(=O)N(C)Cc1ccccc1 40529160 CITJHQBCXLUOBK-UHFFFAOYSA-N 246.335 2.724 0 40 BFAB CC[C@@H](C)C(=O)NCCc1cccc(F)c1 44895878 LVHGQQAYSAOIFN-SNVBAGLBSA-N 223.291 2.531 0 40 BFAB CCOC(=O)[C@@](C)(O)c1cccc2ccccc12 50975416 FBYUEYAEBRPFCT-HNNXBMFYSA-N 244.290 2.610 0 40 BFAB CCN(CC)c1ccc([C@@H]2C[C@@H]2CN)cc1 62494919 IZPPELIVXYQZQR-OCCSQVGLSA-N 218.344 2.595 0 40 BFAB CN(C(=O)CCCc1ccccn1)C1CCCC1 71903359 IGLXAAYKZGSYHF-UHFFFAOYSA-N 246.354 2.805 0 40 BFAB CCN1CCC[C@H]1c1ccc(Cl)nc1 72211443 QVQHNRNGAKKSKS-JTQLQIEISA-N 210.708 2.892 0 40 BFAB Cc1cc(C=O)cnc1NCc1ccccc1 72222318 SQBGJWKIWWMLIR-UHFFFAOYSA-N 226.279 2.815 0 40 BFAB CCOc1cc(C)c([C@@H](O)c2ccccc2)cn1 72223132 WRUGXRYMLYIQRB-HNNXBMFYSA-N 243.306 2.870 0 40 BFAB Cc1cc(Cl)cc(=O)n1Cc1ccccc1 72416673 PHSQSJMVNJFDEO-UHFFFAOYSA-N 233.698 2.858 0 40 BFAB O=C(O)C1CCN(c2ccc(Cl)cc2)CC1 82549647 BWBDUUYXWHNBJW-UHFFFAOYSA-N 239.702 2.641 0 40 BFAB O=C(O)C[C@@H](Cn1cccc1)c1ccccc1 84019352 BCSZDEQUNKRPOC-ZDUSSCGKSA-N 229.279 2.747 0 40 BFAB Cc1ccc2cc(CN)c(Cl)nc2c1 89261968 XXWWAGHNYINPMH-UHFFFAOYSA-N 206.676 2.655 0 40 BFAB CCc1cccc(-c2nc(CO)cs2)c1 95748766 DAIWNXQDLCWDDN-UHFFFAOYSA-N 219.309 2.865 0 40 BFAB Cc1ccc(Cl)c(Oc2nn(C)cc2N)c1 95836619 MRZDPOLXZAHTQP-UHFFFAOYSA-N 237.690 2.756 0 40 BFAB COc1ccc(C)cc1[C@H](C)N[C@]1(C)CCOC1 97038576 DGCUEFWNQLXXMC-SWLSCSKDSA-N 249.354 2.833 0 40 BFAB Cc1ccc2c(c1)OCCN2Cc1cncs1 97143309 OKXXDCWHPWKDMH-UHFFFAOYSA-N 246.335 2.851 0 40 BFAB CC(C)CCS(=O)(=O)Cc1ccccc1 97325323 GRZVOKXACFECLM-UHFFFAOYSA-N 226.341 2.648 0 40 BFAB CO[C@H]1CCCC[C@H]1OC(=O)C1CCCC1 97404919 RMNIRHDUCYXNFX-NWDGAFQWSA-N 226.316 2.677 0 40 BFAB O=C(O)[C@@]12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2 100477859 GMOBHRQSNDDZAD-JMTYYXINSA-N 214.692 2.649 0 40 BFAB COC(=O)c1cn(C2CC2)c2ccccc12 144366976 ZQUWPDJWGIXYPT-UHFFFAOYSA-N 215.252 2.763 0 40 BFAB CCOC(=O)c1ccc(NC(=O)C(C)C)c(C)c1 169808384 MCBYFUQKYHJFLK-UHFFFAOYSA-N 249.310 2.766 0 40 BFAB CCO[C@@H]1C[C@@H](Nc2ccnc(C)n2)C12CCC2 195531021 MJXJMLWZXKLZPS-VXGBXAGGSA-N 247.342 2.545 0 40 BFAB Cc1c(C)c(C)c([C@H](C)NN)c(C)c1C 199534939 NKVZHSKODAZORE-LBPRGKRZSA-N 206.333 2.753 0 40 BFAB C[C@@H](c1ccccc1)n1cccc1CN 223690642 ZIQJLMBUPOBBAJ-NSHDSACASA-N 200.285 2.556 0 40 BFAB CCCCC[C@H](C)N[C@H]1CCCC[C@H]1O 238850862 DBCDDGLDBZLTNI-RWMBFGLXSA-N 213.365 2.848 0 40 BFAB O=C(O)[C@H]1C[C@@H]1c1cccc(OCC(F)F)c1 408716648 PBYAJEUPVXBXEU-ZJUUUORDSA-N 242.221 2.519 0 40 BFAB CCOC(=O)c1[nH]ccc1-c1ccsc1 1772715098 YEJJGSRDRSGSJZ-UHFFFAOYSA-N 221.281 2.920 0 40 BFAB CCn1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 143666 NOSGAIOQXNUEDX-MRVPVSSYSA-N 248.351 2.603 0 40 BFAB CC(=O)c1ccc(C(=O)Nc2nccs2)cc1 192168 FRKJLOMYTRZWLL-UHFFFAOYSA-N 246.291 2.598 0 40 BFAB CCOC(=O)c1[nH]c2cc(C)sc2c1C=O 1350559 MPKGWFJFEALFMM-UHFFFAOYSA-N 237.280 2.527 0 40 BFAB O=C(O)c1ccsc1C(=O)c1ccccc1 1763568 FGJUGEQAUPANNZ-UHFFFAOYSA-N 232.260 2.677 0 40 BFAB Oc1ccc(OC(F)(F)C(F)F)cc1 2243281 DMHLOEIIFFXHIR-UHFFFAOYSA-N 210.126 2.629 0 40 BFAB O=Cc1cc(F)c(F)cc1C(F)(F)F 2382069 JIWNIDFTOCBMFF-UHFFFAOYSA-N 210.101 2.796 0 40 BFAB Cc1ccc(C)c(NC(=O)c2cc(C)on2)c1 3334319 WIRYCKHVRWAAPY-UHFFFAOYSA-N 230.267 2.852 0 40 BFAB COc1ccc([C@H]2CC[C@@H](O)C2(C)C)cc1 3850106 BVOUDYVITANVBL-CHWSQXEVSA-N 220.312 2.960 0 40 BFAB biogenic Cc1nc(-c2ccccc2)sc1C(=O)N(C)C 5697356 WEIBYEBGZRFSNU-UHFFFAOYSA-N 246.335 2.820 0 40 BFAB O=C(Nc1nc2ccccc2[nH]1)[C@H]1CC=CCC1 6657554 UIKQDARYVMXTGF-JTQLQIEISA-N 241.294 2.858 0 40 BFAB Cc1ccc(O[C@H](C)C(=O)NC(C)C)c(C)c1 8493678 BHDMZIFRRLIOQX-GFCCVEGCSA-N 235.327 2.595 0 40 BFAB CCOc1ccc(CO)c2ccccc12 8727834 CPPSTEKHRNUTQF-UHFFFAOYSA-N 202.253 2.731 0 40 BFAB Cc1ccc(C=O)n1-c1ccc(Cl)cn1 9261688 BKGBGVCQXHACRP-UHFFFAOYSA-N 220.659 2.647 0 40 BFAB Cc1cc(CNC(=O)c2ccco2)ccc1F 11008612 MZGUAWWREDMLTG-UHFFFAOYSA-N 233.242 2.657 0 40 BFAB C[C@@H]1CCCN(Cc2cn3ccccc3n2)C1 14193655 IYMVAQWOCPSSNP-GFCCVEGCSA-N 229.327 2.566 0 40 BFAB CC(C)c1cc(O)n(-c2nc3ccccc3o2)n1 14607837 CWBJGPYJIOMRSR-UHFFFAOYSA-N 243.266 2.843 0 40 BFAB CCOc1ccc(N)c(C(F)(F)F)c1 14630311 ITILAORUYLLCNC-UHFFFAOYSA-N 205.179 2.686 0 40 BFAB in-vitro CC(C)CC[C@@H](C)NC1CCC(O)CC1 19919029 NYMAAGQOEOAUQJ-PNESKVBLSA-N 213.365 2.704 0 40 BFAB Cc1ccc(C(=O)CCCC(=O)O)c(C)c1 20369187 RXTLJRDSXVMJJS-UHFFFAOYSA-N 220.268 2.741 0 40 BFAB CSCC(=O)Nc1c(C)cccc1C 32968969 JHUXOCICJRYEKI-UHFFFAOYSA-N 209.314 2.605 0 40 BFAB Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)c(C)c1 33019159 YXGZIGDPZVGKST-CHWSQXEVSA-N 247.338 2.553 0 40 BFAB O=C(O)/C=C\c1ccc(F)c(Cl)c1 33373883 OYFKFZBXVYKVCD-RQOWECAXSA-N 200.596 2.577 0 40 BFAB CC[C@@H](C)C(=O)c1ccc(C(=O)OC)cc1 35976126 CQMUAECNQVKYGB-SECBINFHSA-N 220.268 2.702 0 40 BFAB C[C@H](N)CCc1ccc(OC(F)(F)F)cc1 37408527 BOGCECXCLCDIFL-QMMMGPOBSA-N 233.233 2.865 0 40 BFAB CCOC(=O)Nc1ccc(Cl)c(C(=O)O)c1 37484032 FVMQWZHBPOEBKK-UHFFFAOYSA-N 243.646 2.607 0 40 BFAB CCc1ccc(C(=O)C[C@H](C)CC(=O)O)cc1 43214249 HIZDKYYHXZXCAF-JTQLQIEISA-N 234.295 2.933 0 40 BFAB Cc1ccc(C(=O)c2cccc(F)c2F)nc1 45028564 PHFDMYPZPSBZGF-UHFFFAOYSA-N 233.217 2.899 0 40 BFAB CCCc1ccc(C(=O)CCC(=O)OC)cc1 49826534 YFPLTAZDCKXVGW-UHFFFAOYSA-N 234.295 2.775 0 40 BFAB Nc1ccccc1Cc1nc(-c2ccco2)no1 54445276 NWICHUODPNECHN-UHFFFAOYSA-N 241.250 2.503 0 40 BFAB COc1ccccc1C[C@@H](C)CC(=O)NC(C)C 71884523 UWMMYMXTALBBAH-GFCCVEGCSA-N 249.354 2.789 0 40 BFAB CCOc1cccc([C@@H](N)C(F)(F)F)c1 72194812 KQZHMLYINUSNHD-SECBINFHSA-N 219.206 2.647 0 40 BFAB CCN(CC)c1ccc([C@H]2CCCCN2)cn1 72212849 XCGRWOGHFFFMJR-CYBMUJFWSA-N 233.359 2.742 0 40 BFAB Cc1nc(O)ccc1[C@H]1CCCN1C(C)C 72218200 JKYNREGOICAYJQ-GFCCVEGCSA-N 220.316 2.641 0 40 BFAB CCN(CC(=O)O)c1cccc(Cl)c1C 76612883 LNCKCNNQXGQINY-UHFFFAOYSA-N 227.691 2.559 0 40 BFAB O=C(O)c1ccc(Cc2ccccc2F)o1 84012201 NWNPKEMWJNBVQK-UHFFFAOYSA-N 220.199 2.708 0 40 BFAB O=C(O)C1([C@@H]2CCCS2)CCCCC1 85399327 QYWFDFCLBRLDCX-VIFPVBQESA-N 214.330 2.917 0 40 BFAB CC(=O)Nc1nc2c(C)c(F)ccc2s1 89537082 IESABDWTFSDYBF-UHFFFAOYSA-N 224.260 2.702 0 40 BFAB Cn1cccc1[C@H](O)c1ccc(Cl)s1 95727677 ZIJVAYSYVIDRAO-JTQLQIEISA-N 227.716 2.822 0 40 BFAB C[C@H]1[C@@H](C)OCCN1C(=O)C1CCCCCC1 95967982 LDQFGXJJMPERDS-NWDGAFQWSA-N 239.359 2.593 0 40 BFAB CO[C@@H]1CCC[C@@H](OC(=O)CC(C)(C)C)C1 97043845 IHIGGSOXCMITHM-GHMZBOCLSA-N 228.332 2.923 0 40 BFAB C[C@H](Nc1cnn(C)c1)c1ncc(C(C)(C)C)o1 97377273 MZSDERBIOZLRJD-VIFPVBQESA-N 248.330 2.879 0 40 BFAB NCC1(Cc2ccccn2)CCC(F)(F)CC1 98213593 WQVUBWJQPSWXGT-UHFFFAOYSA-N 240.297 2.779 0 40 BFAB CCOC(=O)N[C@@H](C)[C@H]1C[C@@H]2CC[C@@H]1C2 100858712 KPSNZBHCVXBRQF-LNFKQOIKSA-N 211.305 2.557 0 40 BFAB O=C(O)c1sc2cccc(O)c2c1Cl 212200686 KFNGBZKJNGJJIC-UHFFFAOYSA-N 228.656 2.959 0 40 BFAB CCCOc1c(Cl)cc(OC)cc1C(=O)O 225279889 WKMCIZDXTKJHFA-UHFFFAOYSA-N 244.674 2.836 0 40 BFAB Cc1cn(C(C)C)nc1NCc1ccco1 256050497 FGHGUWAAJOIJFP-UHFFFAOYSA-N 219.288 2.978 0 40 BFAB Clc1cccc2c3c([nH]c12)-c1nonc1CC3 102098 ARFZBGVIHVILCF-UHFFFAOYSA-N 245.669 2.970 0 40 BFAB CCCc1nnc(-c2ccc(OC)cc2)o1 359172 WQJCSFKEASSMDW-UHFFFAOYSA-N 218.256 2.698 0 40 BFAB CCOc1ccc(NC(=O)SC)cc1 1689564 ZAAAYBXMTZATCV-UHFFFAOYSA-N 211.286 2.980 0 40 BFAB CCP(CC)c1ccc(C(=O)O)cc1 3099517 OLSIHOGLCUOORD-UHFFFAOYSA-N 210.213 2.532 0 40 BFAB CCCCc1[nH]nc2c1C(=O)CC(C)(C)C2 4042649 IGTHKFCZGHNVHS-UHFFFAOYSA-N 220.316 2.907 0 40 BFAB O=C(Nc1ccc(Cl)cc1)n1cccn1 6343015 JXGWNJPJMTXONX-UHFFFAOYSA-N 221.647 2.617 0 40 BFAB C[C@H]1CCCN(Cc2ccccc2C(=O)O)C1 11959246 KTRJUVXZVFTZAA-NSHDSACASA-N 233.311 2.617 0 40 BFAB CCCCCNC1CCN(CCC)CC1 19901260 LBCQLRBGCHZMLN-UHFFFAOYSA-N 212.381 2.641 0 40 BFAB C=CS(=O)(=O)Nc1ccc2ccccc2c1 20068884 ZNEKNTIVOVZSKE-UHFFFAOYSA-N 233.292 2.725 0 40 BFAB FC(F)(F)c1nnc(S)n1-c1ccccc1 26506418 ULNRDNFSIPBSOC-UHFFFAOYSA-N 245.229 2.575 0 40 BFAB O=C(c1ccccn1)N1CCC[C@H]2CCCC[C@@H]21 32819472 XFQBZGGPDQQECT-OCCSQVGLSA-N 244.338 2.876 0 40 BFAB CCOC(=O)[C@@H]1CCC[C@@H]1NCc1ccccc1 34083699 MQQOIBAPZYNAPG-KGLIPLIRSA-N 247.338 2.508 0 40 BFAB O=C(CCc1ccco1)Nc1ccccc1 36140331 BYXMJELGZSRWNT-UHFFFAOYSA-N 215.252 2.851 0 40 BFAB CCOC(=O)CSc1ccc(F)cc1F 37374888 KUBKIGRWPLEZRO-UHFFFAOYSA-N 232.251 2.620 0 40 BFAB O=C(C[C@@H]1C=CCC1)NCc1cccc(F)c1 40498519 AKSAALJGBRMXNX-LLVKDONJSA-N 233.286 2.798 0 40 BFAB Cn1c(C(=O)N2CCCC2)cc2c(F)cccc21 40788377 SVBKRSSTOXKFJE-UHFFFAOYSA-N 246.285 2.553 0 40 BFAB COc1cccc(C(=O)c2cccc(C)n2)c1 45028461 LQIWJLIRWYMFTC-UHFFFAOYSA-N 227.263 2.630 0 40 BFAB CCn1cc(NC(=O)Nc2cccc(F)c2)cn1 48351117 XZHAUEPKDKRAGF-UHFFFAOYSA-N 248.261 2.686 0 40 BFAB Cc1ccc(CC(=O)N[C@@H](C)C(C)C)cc1 53495230 CBRYFSKGZGOZJQ-LBPRGKRZSA-N 219.328 2.698 0 40 BFAB CCc1noc(CN2c3ccccc3C[C@H]2C)n1 58311855 WUESYMDBKGWEKW-SNVBAGLBSA-N 243.310 2.583 0 40 BFAB Cc1occc1C(=O)N(C)c1ccccc1 60943366 IXPQMRGXURGFRJ-UHFFFAOYSA-N 215.252 2.865 0 40 BFAB OCc1cc(C(F)(F)F)c2ccccc2n1 71261616 RAISYORPYPURGD-UHFFFAOYSA-N 227.185 2.746 0 40 BFAB CC(C)CN1CCC[C@@H]1c1cccnc1O 72212309 QBZJSACNVMFYHP-GFCCVEGCSA-N 220.316 2.580 0 40 BFAB COc1ccc(Br)c([C@@H](C)O)c1 95637098 VOZQUGAJUHESFS-ZCFIWIBFSA-N 231.089 2.511 0 40 BFAB CCCOc1c(C)cc(CCO)cc1C 95731690 YNFBZQOUOYNABS-UHFFFAOYSA-N 208.301 2.627 0 40 BFAB CCc1ccc(C=O)n1-c1nc(C)cs1 225302188 OTWYPQAIDVIPDU-UHFFFAOYSA-N 220.297 2.617 0 40 BFAB CC(C)n1cc([C@H]2CCCCCN2)cn1 225775502 AVZFHAUOSDASDQ-GFCCVEGCSA-N 207.321 2.669 0 40 BFAB COc1ccc2c(O)c(CC(C)C)c(O)nc2c1 685937424 UBNNYMAIMYYNMN-UHFFFAOYSA-N 247.294 2.853 0 40 BFAB c1cc2sc(N3C[C@H]4CCC[C@H]4C3)nc2cn1 1888856733 JCMPHPCWMPCEFM-AOOOYVTPSA-N 245.351 2.928 0 40 BFAB O=C(O)[C@@H](c1ccccc1)c1cccs1 1733960 QIMHOHNDXHYFIP-NSHDSACASA-N 218.277 2.965 0 40 BFAB CC(=O)CC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C 2001325 QSVQIPXQOCAWHP-KGYLQXTDSA-N 240.343 2.970 0 40 BFAB biogenic CC(=O)N1N=CC[C@H]1[C@H]1[C@@H](C)C=C(C)C[C@@H]1C 4844071 HUMGQYPYCXKRLK-IMIFBBOLSA-N 234.343 2.831 0 40 BFAB C[C@H](O)c1ccc2c(c1)C=CC(C)(C)O2 6030349 ICIIMFRGWJJFIH-VIFPVBQESA-N 204.269 2.924 0 40 BFAB endogenous,in-man Cc1ccc(F)c(NC(=O)c2ccccn2)c1 8406678 ZLQZGLATWIPCJD-UHFFFAOYSA-N 230.242 2.781 0 40 BFAB CCC[C@H](C)C(=O)Nc1cc(N)ccc1C 8703458 YYODLRWMFJLZOO-JTQLQIEISA-N 220.316 2.952 0 40 BFAB C=Cn1c([C@@H](O)C(F)(F)F)nc2ccccc21 9913696 LSCIGCGCZXCZBR-SECBINFHSA-N 242.200 2.733 0 40 BFAB Cc1ccc(C(=O)Nc2ccccn2)s1 12545051 WOSDUKNYPLGZEN-UHFFFAOYSA-N 218.281 2.704 0 40 BFAB C[C@H](NC(=O)c1cccnc1)c1cccc(F)c1 12932854 BFBXPBLEYCPJIT-JTQLQIEISA-N 244.269 2.712 0 40 BFAB Cc1ccc([C@@H](C)NC(=O)c2ccncc2)cc1 13328114 LODBLZMRYMHSGS-GFCCVEGCSA-N 240.306 2.881 0 40 BFAB Cn1ccnc1Sc1ccc(Cl)cc1N 19845503 WTYXISQJDIFDBJ-UHFFFAOYSA-N 239.731 2.807 0 40 BFAB in-vitro Cc1c(N)cccc1C(=O)Nc1ccccc1 20194486 FNQCVQGZMCIKOL-UHFFFAOYSA-N 226.279 2.830 0 40 BFAB in-vitro CC(C)[C@H](C)NC(=O)[C@@H]1Cc2ccccc2S1 22242079 BAGQRSWIZIKLDN-GWCFXTLKSA-N 249.379 2.864 0 40 BFAB CCONC(=O)c1ccc(-c2ccc(F)cc2)o1 22874796 BWPZZOZFWCMUJD-UHFFFAOYSA-N 249.241 2.767 0 40 BFAB CCCCNC(=O)c1ccc(F)c(F)c1F 28210551 ONRDKYORXBEDAZ-UHFFFAOYSA-N 231.217 2.634 0 40 BFAB CC(C)CNC(=O)[C@@H](C)Sc1ccccc1 31866499 VWCDABHXYKNIEX-LLVKDONJSA-N 237.368 2.939 0 40 BFAB Cc1ccc(C(=O)c2ccccc2)cc1N 32012508 HCFKCCTUUVWZFT-UHFFFAOYSA-N 211.264 2.808 0 40 BFAB Nc1ccnc2cc(OC(F)(F)F)ccc12 32627564 FYGPUQDVGJBVTJ-UHFFFAOYSA-N 228.173 2.716 0 40 BFAB CCC[C@@H](C)C(=O)NCc1ccccc1F 32994778 LKXKESQEOARLQM-SNVBAGLBSA-N 223.291 2.878 0 40 BFAB O[C@H](c1cccnc1)c1cnc2ccccc2c1 37761635 WCNIRLZLFVLWCG-OAHLLOKOSA-N 236.274 2.712 0 40 BFAB CCOC(=O)[C@@H](C)Nc1ccc(Cl)cc1 37962660 OMYQCODIMZACEZ-MRVPVSSYSA-N 227.691 2.704 0 40 BFAB COc1ccc(SCC2CCNCC2)cc1 43498088 BQVKSTUVGRNEJX-UHFFFAOYSA-N 237.368 2.787 0 40 BFAB COc1ccc2c(c1)[C@@H]1[C@@H]3[C@H]4C=C[C@@H]4[C@H]2[C@H]13 44143913 MSMIFVCPETXJCQ-LUMQLVQJSA-N 210.276 2.938 0 40 BFAB C[C@@H]1CC[C@@H](O)[C@H](OCc2ccccc2)C1 44191873 WLKXDBANPPQFNX-MRVWCRGKSA-N 220.312 2.753 0 40 BFAB CNC(=O)N[C@H](c1cccs1)C1CCCC1 47717777 VTHUDOSTVQTQSF-NSHDSACASA-N 238.356 2.908 0 40 BFAB NC(=O)CCc1ccc(-c2ccccc2F)o1 48387359 GSNKYLPLYZZXNU-UHFFFAOYSA-N 233.242 2.504 0 40 BFAB Cc1cc(NC(=O)CCc2ccccc2F)no1 48392723 RINXUSBCVGNWQC-UHFFFAOYSA-N 248.257 2.693 0 40 BFAB Cc1nc(-c2ccc(F)cc2)c(N)s1 50308082 QIEUROLSYLWAMY-UHFFFAOYSA-N 208.261 2.840 0 40 BFAB OC12C[C@@H]3CC1C[C@H](C2)c1ccccc13 68603989 BFGGOZQIVLAOCH-QLHKPRNWSA-N 200.281 2.802 0 40 BFAB CCCCNc1ncccc1[C@@H]1CCCN1 72213580 ZFCUKWQJPRBPDA-LBPRGKRZSA-N 219.332 2.718 0 40 BFAB Cc1cc([C@@H]2CCCCN2CC(C)C)c[nH]c1=O 72217979 LKOXHIUQZSRIIT-AWEZNQCLSA-N 248.370 2.866 0 40 BFAB CCCN1CCC[C@H]1c1ccncc1C 72219516 MQSGRYBMFDNJHH-ZDUSSCGKSA-N 204.317 2.937 0 40 BFAB C[C@@]1(c2nc(C3CCCCCC3)no2)CCNC1 87945235 OSARMZMIROCWRL-CQSZACIVSA-N 249.358 2.758 0 40 BFAB CCOc1ccc2nc(Cl)c(CN)cc2c1 89262007 RFBYAZNLAOJPHQ-UHFFFAOYSA-N 236.702 2.746 0 40 BFAB COC(=O)C[C@H](C)CC(=O)c1ccc(C)cc1 95728756 QBRMLTFGVBTQMR-LLVKDONJSA-N 234.295 2.767 0 40 BFAB CC(C)Oc1ccc(N[C@H]2CCOC2)c(F)c1 95978144 HGSGZPGRQQIWJV-JTQLQIEISA-N 239.290 2.814 0 40 BFAB N[P@](=O)(Oc1ccccc1)c1ccccc1 100351248 JQICXNMNFDJYTG-MRXNPFEDSA-N 233.207 2.543 0 40 BFAB CC1(C)[C@@H]2CC[C@]1(C)[C@](O)(c1ccccc1)C2=O 104117135 MGALRPPNRRTYLF-KCXAZCMYSA-N 244.334 2.899 0 40 BFAB CC1=C/C(=N/Nc2ccccc2C)C(=O)C=C1 136384329 MFQQOVPXZWBOBG-SSZFMOIBSA-N 226.279 2.848 0 40 BFAB C=CC[C@@H](CCc1ccccc1)C(=O)O 204355220 NJYLHSOZJYYBQF-LBPRGKRZSA-N 204.269 2.896 0 40 BFAB CC1(C)C[C@]1(COCc1ccccc1)C(=O)O 218291220 KZHSPNPSSSATKK-AWEZNQCLSA-N 234.295 2.704 0 40 BFAB CCCCNCc1cn(C(C)C)nc1C 256051173 IAHUPCSUDPVXSB-UHFFFAOYSA-N 209.337 2.662 0 40 BFAB Cc1nsc(OCc2ccccc2F)n1 585652488 NXUHJYVITXPRKL-UHFFFAOYSA-N 224.260 2.565 0 40 BFAB CCOC(=O)[C@@H]1CCC[C@@H](OC(F)(F)F)C1 953019103 LKFXVDNJNNKIKD-HTQZYQBOSA-N 240.221 2.645 0 40 BFAB CC[C@@H]1C(=O)C(C)(C)C(=O)O[C@H]1c1ccccc1 226614 BXCYIBCBVGYMFT-RYUDHWBXSA-N 246.306 2.906 0 40 BFAB CCOC(=O)c1n[nH]c(-c2ccc(C)cc2)c1C 387881 PJQNJPGHKKABKJ-UHFFFAOYSA-N 244.294 2.870 0 40 BFAB Nc1ncc(-c2nc3cc(Cl)ccc3o2)cn1 3159662 FUJHBNJPKSFIFM-UHFFFAOYSA-N 246.657 2.520 0 40 BFAB O=C(NC=C(Cl)Cl)c1ccc(F)cc1 5672788 VAVBPANCUOAKPS-UHFFFAOYSA-N 234.057 2.832 0 40 BFAB O=C(O)CSc1nc2cc(Cl)ccc2o1 5945533 LFHVFKBZVZKNQY-UHFFFAOYSA-N 243.671 2.658 0 40 BFAB CCCOc1cc(N2CCCC2)ccc1C=O 8702375 PWDKXRQRYHMESB-UHFFFAOYSA-N 233.311 2.888 0 40 BFAB CSCCC(=O)Nc1ccc2c(c1)CCC2 9478859 LFGNZMHABPSGLZ-UHFFFAOYSA-N 235.352 2.867 0 40 BFAB COC(=O)/C=C/c1ccc(Br)s1 12647636 UQYOUWDULIDGLV-HWKANZROSA-N 247.113 2.697 0 40 BFAB CC(C)CCC(=O)Nc1ccc(CC(=O)O)cc1 20136759 RRSSZRUTHXPAPJ-UHFFFAOYSA-N 249.310 2.688 0 40 BFAB Clc1ccc(Cl)c2c1CCNC2 27558778 GNGZYQIBMKXWKR-UHFFFAOYSA-N 202.084 2.639 0 40 BFAB CC[C@@H](C)NC(=O)c1ccc(C)c(OC)c1 32814887 WVNKGQKPMSLJCX-SNVBAGLBSA-N 221.300 2.532 0 40 BFAB O=C(c1ccc(Cl)o1)N1CCCCC1 32879048 QMQLOXLHDKTNOR-UHFFFAOYSA-N 213.664 2.559 0 40 BFAB COc1ccccc1OC[C@@H](O)c1ccccc1 37492216 XLCNFGHEUMUJLW-CYBMUJFWSA-N 244.290 2.808 0 40 BFAB CCOc1ccc(CNCC2CC2)cc1OCC 37927753 FUGFAVJFXVMOTQ-UHFFFAOYSA-N 249.354 2.984 0 40 BFAB Cc1cc(SCc2c(C)noc2C)nc(C)n1 40060508 PKNLTVJWCFOTTQ-UHFFFAOYSA-N 249.339 2.991 0 40 BFAB CCn1c(CCCN)nc2ccc(Cl)cc21 40417266 ZDVJPAVNOLCMSJ-UHFFFAOYSA-N 237.734 2.601 0 40 BFAB CCn1ccnc1SC[C@@H]1CCCCO1 40485687 CQSBDQWUEKYQAI-JTQLQIEISA-N 226.345 2.564 0 40 BFAB Cc1ccccc1NC(=O)CC[C@@H]1CCCO1 40505832 RKDFEQOROIDRAW-LBPRGKRZSA-N 233.311 2.893 0 40 BFAB C[C@@H](CC(=O)Nc1ccn(C)n1)c1ccccc1 44871980 DQZRZAWBEOFOMQ-NSHDSACASA-N 243.310 2.552 0 40 BFAB O[C@@H]1CCCC[C@H]1NCc1ccc(Cl)s1 51993567 FYANXEZERPROBK-NXEZZACHSA-N 245.775 2.795 0 40 BFAB CC[C@H](C)NC(=O)Nc1cccc(COC)c1 58059091 TVTSVWQWTIUNOW-JTQLQIEISA-N 236.315 2.753 0 40 BFAB C[C@H](O)[C@H](C)c1nc2ccccc2s1 63039737 IPIQXWOAAIBYKG-YUMQZZPRSA-N 207.298 2.781 0 40 BFAB in-vitro Cc1ccc(C(=O)O)c(Br)c1C 67801465 LKLRKZZSQRBULU-UHFFFAOYSA-N 229.073 2.764 0 40 BFAB CN1CCCC[C@@H]1c1ccc(N2CCCC2)nc1 72215936 QVODXARGPBHTOF-CQSZACIVSA-N 245.370 2.839 0 40 BFAB CCN1CCC[C@@H]1c1cccnc1N1CCCC1 72215973 LHBBHPZCXGISLF-CQSZACIVSA-N 245.370 2.839 0 40 BFAB O[C@@H](c1ccccc1)c1ccc(=S)[nH]c1 72225677 YXSWXXKSOJKWIA-LBPRGKRZSA-N 217.293 2.826 0 40 BFAB Nc1ccc(-c2ccc(C(=O)O)o2)c(Cl)c1 73640303 MGNFQEZDZUHVSZ-UHFFFAOYSA-N 237.642 2.880 0 40 BFAB Cc1c(C(=O)O)ccn1-c1ccc(F)cc1 75420444 FZNXKRWNZSLFRP-UHFFFAOYSA-N 219.215 2.623 0 40 BFAB FC(F)(F)C1CCN(Cc2ccccn2)CC1 75969429 KSRAAHQDJCDFER-UHFFFAOYSA-N 244.260 2.856 0 40 BFAB COc1ccc([C@](C)(O)C(C)C)c(C)c1 83696310 FVPHDKNHNYRCJS-CYBMUJFWSA-N 208.301 2.867 0 40 BFAB Cc1cc(C)c(C(=O)N2C[C@H]3CCCC[C@@H]3C2)[nH]1 89568586 PQKABQKWTLQSLZ-CHWSQXEVSA-N 246.354 2.894 0 40 BFAB CCOc1c(C)cccc1CNC(C)C 95094839 ASFHQEVJYQZNQR-UHFFFAOYSA-N 207.317 2.892 0 40 BFAB CC(C)(C)OC(=O)N[C@H]1CC(=O)c2ccccc21 95347709 CQKDQPYPULKMBT-NSHDSACASA-N 247.294 2.839 0 40 BFAB Cn1ncnc1CSCCCc1ccccc1 96430192 PKOGLGWYLQGTFT-UHFFFAOYSA-N 247.367 2.681 0 40 BFAB CC1(C)[C@@H]2CC[C@]1(C)c1nc(NN)sc12 100006543 NJBLDAVBXVRRRS-KSBSHMNSSA-N 223.345 2.604 0 40 BFAB O=C(NCc1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2 102130139 XDJPRXQVKVZIMU-IHRRRGAJSA-N 229.323 2.739 0 40 BFAB CC(C)N1CCC(c2nccnc2Cl)CC1 205672955 AWFRSWXNXBDKSB-UHFFFAOYSA-N 239.750 2.718 0 40 BFAB CC[C@@H](C(=O)O)N(CC)c1cccc(C)c1C 224981994 ZBGYEGSQLIMQQM-LBPRGKRZSA-N 235.327 2.993 0 40 BFAB CCC(=O)Nc1cc(N)ccc1N1CCCCC1 226253506 LNJUGSPFAOAMPP-UHFFFAOYSA-N 247.342 2.608 0 40 BFAB COc1ccc(CCCC(=O)NC(C)C)cc1C 408912716 LPRLVTNZDZELIA-UHFFFAOYSA-N 249.354 2.851 0 40 BFAB Cc1c(Cl)cccc1N[C@H]1CC[C@@H]1O 585298784 HCWNHESFOLHZHO-QWRGUYRKSA-N 211.692 2.584 0 40 BFAB Cc1ccnc(OCC2CC(F)(F)C2)c1 585654254 GINWFIHFILSNOK-UHFFFAOYSA-N 213.227 2.814 0 40 BFAB COc1ccc([C@@H](O)c2cccs2)cc1 286322 YDQODCKLZJJDCU-GFCCVEGCSA-N 220.293 2.838 0 40 BFAB Nc1nc(-c2c[nH]c3ccccc23)cs1 314078 ZACIGHHWMWRYSZ-UHFFFAOYSA-N 215.281 2.874 0 40 BFAB in-vitro C[C@@H](Nc1ncnc2[nH]cnc12)c1ccccc1 2719611 OPBOKLRORBKBAN-SECBINFHSA-N 239.282 2.526 0 40 BFAB aggregator C/C=C/[C@@H]1OC[C@]2(CO)[C@@H](C)[C@H]1C(C)=C[C@H]2C 4026830 RQCLRCULEFIVSO-ZVDFNFDNSA-N 236.355 2.788 0 40 BFAB O=C(Nc1nc(-c2cccnc2)cs1)C1CC1 6969484 RDZCRNOBXARELB-UHFFFAOYSA-N 245.307 2.554 0 40 BFAB O=C(C1CC1)N1CCC[C@@H]2CCCC[C@@H]21 12953331 JEEWWSZOQQMYRG-JQWIXIFHSA-N 207.317 2.578 0 40 BFAB CC[C@H](C)C(=O)Nc1ccc(NC(C)=O)c(C)c1 12985373 KHVMGBGXPYYLHO-VIFPVBQESA-N 248.326 2.938 0 40 BFAB CC(C)(C)C(=O)CC(=O)c1cccs1 20375951 XHQMFRSLKJZXJO-UHFFFAOYSA-N 210.298 2.936 0 40 BFAB c1ccc2c(c1)nc1nc(-c3ccncc3)ccn12 31817881 SYMVRNAHSAWMOX-UHFFFAOYSA-N 246.273 2.945 0 40 BFAB O=[N+]([O-])/C=C\c1c[nH]c2ccc(F)cc12 33373952 RFGJWSVNMVSDEH-ARJAWSKDSA-N 206.176 2.554 0 40 BFAB O=[S@@](O)Cc1ccc(Cl)c(Cl)c1 34089218 GKZSQOXGKOWXDE-UHFFFAOYSA-N 225.096 2.715 0 40 BFAB CC(=O)[C@H](C)N1CCCc2cc(C)ccc21 35036681 XUCXDXDMAURJCM-NSHDSACASA-N 217.312 2.725 0 40 BFAB in-vitro Cc1ccc(N/C=C2\SC(=O)N(C)C2=O)cc1 36636153 QDANNILQTSXKNB-YFHOEESVSA-N 248.307 2.574 0 40 BFAB CCn1c(CCCN)nc2cccc(Cl)c21 37443983 JDOJFZAQVPRKPJ-UHFFFAOYSA-N 237.734 2.601 0 40 BFAB C[C@H](N)Cc1cccc(OC2CCCC2)c1 37726438 OGMZSNJAKOTLKY-NSHDSACASA-N 219.328 2.898 0 40 BFAB in-vitro O=C(O)c1onc2cc(C(F)(F)F)ccc12 38478328 WILVLFLFYQJSBL-UHFFFAOYSA-N 231.129 2.545 0 40 BFAB Cc1onc(NC(=O)OC(C)(C)C)c1C 39093685 PLQFNMSPAPPXFW-UHFFFAOYSA-N 212.249 2.638 0 40 BFAB CCOC(=O)C[C@H](C)CC(=O)c1ccccc1 39249325 YBWFBAQVWOMRQV-LLVKDONJSA-N 234.295 2.849 0 40 BFAB CCCCCC[C@@H](C)N[C@@H]1CCN(C)C1 42545282 CDJICRAKDPTLLQ-CHWSQXEVSA-N 212.381 2.639 0 40 BFAB Cc1c(Br)ncc2cc[nH]c12 43220691 VVKYVWBJMHQHSR-UHFFFAOYSA-N 211.062 2.634 0 40 BFAB Cc1ccc(C(=O)c2ccccc2C)cn1 45029054 JPWCYMZUASSVGS-UHFFFAOYSA-N 211.264 2.929 0 40 BFAB CC(=O)N(Cc1cccc(C)c1)C1CC1 45414224 TXBVLGNWFXSQLV-UHFFFAOYSA-N 203.285 2.506 0 40 BFAB CCOc1cccc(CNC(=O)C2CCC2)c1 48311967 LZSWEDNBNNWPMO-UHFFFAOYSA-N 233.311 2.502 0 40 BFAB CC[C@H](Cc1ccc(F)cc1F)C(=O)O 50885448 VGCKFHPPNZKTHK-SSDOTTSWSA-N 214.211 2.618 0 40 BFAB Fc1cc(Cl)c2oc(S)nc2c1 52066096 VDYXZRRIZKZXBI-UHFFFAOYSA-N 203.625 2.909 0 40 BFAB in-vitro Cc1ccccc1-c1nc2ccccn2c1N 53709331 LAVLUNAZDXGCJX-UHFFFAOYSA-N 223.279 2.892 0 40 BFAB CCCSc1nnc(-c2ccncc2)n1CC 58817947 OTVDLBHLNUFCEC-UHFFFAOYSA-N 248.355 2.862 0 40 BFAB C[C@@](C(=O)O)(c1cccs1)N1CCCCC1 70453228 OSXLKYJHRIAACV-LBPRGKRZSA-N 239.340 2.534 0 40 BFAB CCNC(=O)c1cc(Cl)c2ccccc2n1 70533219 UGCGRUHULKLUSA-UHFFFAOYSA-N 234.686 2.638 0 40 BFAB CCCCC[C@H](C)NC(=O)N1CCCC1 71800791 XDEVKNBZNXYESR-NSHDSACASA-N 212.337 2.761 0 40 BFAB CCCCN1CCC[C@@H]1c1cccnc1N 72212423 OCWQFDWGLZRYQD-GFCCVEGCSA-N 219.332 2.601 0 40 BFAB COc1ccc(OC)c([C@H]2CCCCN2C)c1 72221879 JRQCNXGGQADSMO-CYBMUJFWSA-N 235.327 2.861 0 40 BFAB O=C(Nc1cccc2[nH]ccc12)c1ccncc1 72401954 KKCLAFQCNVWJHX-UHFFFAOYSA-N 237.262 2.815 0 40 BFAB CCOCC(=O)N1CCc2ccccc2[C@H]1CC 79310001 UNTVSCUGVFSBNY-CQSZACIVSA-N 247.338 2.559 0 40 BFAB COc1cc(F)ccc1N(C)Cc1ccncc1 95401537 QPEIXEPTDDNZCP-UHFFFAOYSA-N 246.285 2.866 0 40 BFAB CCOc1c(F)cc(C(=O)CC)cc1F 95739925 NCXZBTRSFKPEJR-UHFFFAOYSA-N 214.211 2.956 0 40 BFAB Nc1nsc2cc(Br)ccc12 95830821 YQRGJKVMKDCMBJ-UHFFFAOYSA-N 229.102 2.641 0 40 BFAB CCOc1c(C(=O)O)sc(OC)c1Cl 96510976 FYXMTXJDZKHFFL-UHFFFAOYSA-N 236.676 2.507 0 40 BFAB Cc1ccc2c(c1)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]1[S@](=O)N2 102667761 SNZUAMJDPKNTCJ-QGEXLJBFSA-N 247.363 2.966 0 40 BFAB CC(C)[C@H]1OC(=O)[C@H]2CC[C@@]1(C)OC2(C)C 103211034 VZOMVQNIIPKADB-GIPNMCIBSA-N 226.316 2.532 0 40 BFAB O=C(NOCc1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2 105943112 NNZRHCKITALADD-MELADBBJSA-N 245.322 2.671 0 40 BFAB FC(F)c1cc(S)nc(C(F)(F)F)n1 217638402 YBRXJPVOUJLCFB-UHFFFAOYSA-N 230.161 2.722 0 40 BFAB CCc1ccc(N2CCN[C@H]3CCC[C@@H]32)cc1 225717102 NPOGMVVUPHQGBC-GJZGRUSLSA-N 230.355 2.580 0 40 BFAB CCn1cc(C)c(NCc2ccc(OC)cc2)n1 256052049 LSOHLNUJBSOHEW-UHFFFAOYSA-N 245.326 2.832 0 40 BFAB C[C@@H](OCc1ccccc1Cl)[C@@H]1CO1 256055022 YVDQKEWBBOXMPE-KCJUWKMLSA-N 212.676 2.644 0 40 BFAB COC(=O)c1nc(Cl)c(Cl)cc1Cl 306851316 QEAIPSWIKISPLT-UHFFFAOYSA-N 240.473 2.828 0 40 BFAB C[C@@H](Nc1ccc2c3c(cccc13)CC2)C(=O)O 575424231 XLSNOHJMENYGSY-SECBINFHSA-N 241.290 2.823 0 40 BFAB Cc1cc(OC2CN(C3CCCCC3)C2)ccn1 1888842596 TWIKZUGVDKGYPI-UHFFFAOYSA-N 246.354 2.786 0 40 BFAB Cc1cc(C)c2c(c1C(=O)O)CC(C)(C)C2=O 137063 STZOOTNYAOKYQA-UHFFFAOYSA-N 232.279 2.767 0 40 BFAB biogenic O=C(O)c1cccc(NC(=O)c2cccs2)c1 148009 JFACUNXDFKLILL-UHFFFAOYSA-N 247.275 2.699 0 40 BFAB CCOc1ccc([C@H]2OC[C@H](C)O2)cc1OC 1677886 FLQVOGLTZVMLFX-ZANVPECISA-N 238.283 2.528 0 40 BFAB COc1ccc(C2(C)OCC(C)(C)CO2)cc1 1678001 XAWRCVSJEGNYGQ-UHFFFAOYSA-N 236.311 2.941 0 40 BFAB O=C(O)CCCCC(=O)c1cccs1 2027005 IOWKEASJENDYLT-UHFFFAOYSA-N 212.270 2.576 0 40 BFAB COC(=O)[C@@H](c1ccccc1)C1(O)CCCCC1 2046324 NBTORCJZHHCBEP-CYBMUJFWSA-N 248.322 2.638 0 40 BFAB COc1ccc(C2=C[C@H]3CC[C@@H](C2)N3C)cc1 5496124 RWGWKXAJPMBTBL-KGLIPLIRSA-N 229.323 2.945 0 40 BFAB CC(C)CNCCSCc1ccco1 6550635 KBNLTZCFQUXSIG-UHFFFAOYSA-N 213.346 2.758 0 40 BFAB CCCCNC(=O)Cc1sc(=S)[nH]c1C 9218464 ZSQFOAIYPPSQMF-UHFFFAOYSA-N 244.385 2.573 0 40 BFAB Cc1ccc([C@@H](Cc2ccco2)C(=O)O)cc1 11588872 AYCXTNSWTGBGJR-CYBMUJFWSA-N 230.263 2.999 0 40 BFAB COc1ccc(NC(=O)c2cc(C)oc2C)cn1 15658591 JUASPWZLUVGLFO-UHFFFAOYSA-N 246.266 2.552 0 40 BFAB O=Cc1cc(-c2ccc(C(=O)O)cc2)ccc1O 16946456 RWFQKROUDWRLDZ-UHFFFAOYSA-N 242.230 2.570 0 40 BFAB Brc1ccc(CNC2CC2)s1 19263760 DSADTGGMUJZBCL-UHFFFAOYSA-N 232.146 2.763 0 40 BFAB CC(C)n1ccc2c(C(=O)O)cccc21 20550526 BULZKWRARUNZFI-UHFFFAOYSA-N 203.241 2.920 0 40 BFAB biogenic Cc1cccc(-c2noc([C@H]3CCCCN3)n2)c1 21805950 HYNYOFKMSLQLEU-GFCCVEGCSA-N 243.310 2.860 0 40 BFAB Cc1nc(N(C)c2ccccc2)sc1C(=O)O 22237593 NNABMBIKTZTRKG-UHFFFAOYSA-N 248.307 2.918 0 40 BFAB Cc1ccc([C@H](C)NC(=O)CCc2ccco2)o1 23306992 MVMPNZAIKJATJD-NSHDSACASA-N 247.294 2.991 0 40 BFAB OCc1csc(-c2ccc(Cl)cc2)n1 32015113 GGAMZEDLVRNGBN-UHFFFAOYSA-N 225.700 2.956 0 40 BFAB Cc1oc(C)c(C(=O)NCC(C)C)c1C 32808558 BPPCNXLAHJDYNU-UHFFFAOYSA-N 209.289 2.591 0 40 BFAB COc1ccc(C(=O)c2ccco2)cc1F 35423834 HPFUUFJWACCBRM-UHFFFAOYSA-N 220.199 2.658 0 40 BFAB O=C(O)C[C@@H](c1ccccc1)C(F)(F)F 38673749 RYLOHTVBYHZHMN-QMMMGPOBSA-N 218.174 2.807 0 40 BFAB in-vitro CC[C@@H](C)n1c(CCN)nc2ccccc21 40163791 FIUVVTJSFIGXHO-SNVBAGLBSA-N 217.316 2.509 0 40 BFAB C[C@@H](C(=O)O)c1cccc(C(F)(F)F)c1 40740283 JUQMRSYCLKEWAV-ZCFIWIBFSA-N 218.174 2.894 0 40 BFAB in-vitro CC(C)(Cc1cccc(Cl)c1)C(=O)O 41226478 LAMMJZDDAHXYRQ-UHFFFAOYSA-N 212.676 2.993 0 40 BFAB in-vitro CC(C)CC(=O)N[C@H](C)CCc1ccco1 47741131 FVNBPYUMNRANEC-LLVKDONJSA-N 223.316 2.763 0 40 BFAB CC(C)N1CCO[C@H](c2ccc(F)cc2)C1 65517348 GEJPUWMVADTQHG-ZDUSSCGKSA-N 223.291 2.607 0 40 BFAB CC(C)(C)C(=O)NCc1ccnc2ccccc12 74858961 PWVCOHXLQKSMFS-UHFFFAOYSA-N 242.322 2.897 0 40 BFAB O=C1Cc2cc(Br)cc(Cl)c2N1 83684620 QTNYNHKPFHRQTB-UHFFFAOYSA-N 246.491 2.597 0 40 BFAB CCc1ccc(CN2CCC[C@@]3(CCOC3)C2)o1 95369023 NYYALCOLBTZNSU-OAHLLOKOSA-N 249.354 2.845 0 40 BFAB CNC(=O)c1c(C)cccc1NCC1CCC1 95973473 RARIALRIAISQJW-UHFFFAOYSA-N 232.327 2.567 0 40 BFAB C/C=C/COC(=O)CSC(C)(C)C 96999653 SVPFAWQSTZHTNU-AATRIKPKSA-N 202.319 2.637 0 40 BFAB Nc1cc(-c2ccccc2)nn1CC1CC1 98214197 VCPYSEDTMMWBIL-UHFFFAOYSA-N 213.284 2.542 0 40 BFAB CCCCn1cnc2oc(C)c(C)c2c1=N 101472603 AHWGQAQOWFJDSM-UHFFFAOYSA-N 219.288 2.526 0 40 BFAB CCCn1cc(CNc2cnn(C(C)C)c2)cn1 157385367 UUQZZSWODJFNCU-UHFFFAOYSA-N 247.346 2.683 0 40 BFAB CC(C)c1ccc(C(N)=O)cc1Br 202427781 CJCPCTAIZYJEKH-UHFFFAOYSA-N 242.116 2.671 0 40 BFAB CCCCO[C@@H](Cc1ccccc1F)C(=O)O 225052931 QIQAUMQCTYHSOQ-LBPRGKRZSA-N 240.274 2.638 0 40 BFAB CCCC(=O)Nc1ccc(N(CC)CC)c(N)c1 226262670 JZLOOQRDSJVRGF-UHFFFAOYSA-N 249.358 2.854 0 40 BFAB CC(C)NC(=O)c1cc2c(s1)CCCC2 54872 AFRQJOVCRXENOE-UHFFFAOYSA-N 223.341 2.765 0 40 BFAB c1ccc2c(c1)[C@@H]1CC[C@H]2c2cccc[n+]21 1578084 UQYXIIIWPUYQCF-HIFRSBDPSA-N 208.284 2.803 0 40 BFAB CC(C)OP(=O)(OC(C)C)C(C)(C)O 1649985 RNKXVPYDSTZDJD-UHFFFAOYSA-N 224.237 2.758 0 40 BFAB CCCCCC[C@@H]1OC[C@@H](COCC)O1 1675394 IOLQBDYJUGWJRL-VXGBXAGGSA-N 216.321 2.735 0 40 BFAB Fc1cnc(Cl)nc1NCc1ccccc1 2311207 WADKWFHHPPUKBC-UHFFFAOYSA-N 237.665 2.881 0 40 BFAB O=C(O)[C@@H](F)c1ccccc1Br 2525479 FJJZUTPPMVPKCR-ZETCQYMHSA-N 233.036 2.544 0 40 BFAB COc1cc(C)nn1-c1ccccc1Cl 3183224 OYFGQVNASZPGBO-UHFFFAOYSA-N 222.675 2.843 0 40 BFAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc2c(c1)CCC2 5611228 DJRKGPMTRJEWCF-RNCFNFMXSA-N 215.296 2.770 0 40 BFAB Cc1cc(C)c2[nH]c(=O)c(C)c(C)c2c1 8649193 CUFHTRGYKVGLTK-UHFFFAOYSA-N 201.269 2.762 0 40 BFAB CCC(CC)C(=O)Nc1cccc(N)c1 8703408 XUCJFAXGWFDPDU-UHFFFAOYSA-N 206.289 2.644 0 40 BFAB COc1cccc(-n2c(C)ccc2C=O)c1 9261673 WMSTZZWPFYKIMN-UHFFFAOYSA-N 215.252 2.607 0 40 BFAB Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2C)o1 9616797 GUCHGQFKDCDHRE-CYBMUJFWSA-N 242.278 2.784 0 40 BFAB Cc1cccc([C@H](CN)N2CCC[C@@H](C)C2)c1 19256145 DZJHDJOAIHYPNT-HIFRSBDPSA-N 232.371 2.727 0 40 BFAB O=C(Nc1ccccn1)c1ccc(O)c(Cl)c1 19837360 ZZAYCLANODFDJW-UHFFFAOYSA-N 248.669 2.693 0 40 BFAB CCC[C@@H](C)CNCCc1ccccn1 20089257 KKEMLOGYUMLELF-GFCCVEGCSA-N 206.333 2.650 0 40 BFAB CCCCNC(=O)N[C@H]1CCc2ccccc21 32851141 BQZJCAUBVJAFKT-ZDUSSCGKSA-N 232.327 2.773 0 40 BFAB Cc1sc(-n2cccc2C=O)c(C(=O)O)c1C 34491835 OEZJGJAVLZHLTJ-UHFFFAOYSA-N 249.291 2.666 0 40 BFAB Nc1ccc(F)cc1CN1CCc2ccccc21 35057882 UUODCACWEWZRKE-UHFFFAOYSA-N 242.297 2.971 0 40 BFAB C[C@@](O)(CN)c1ccc(-c2ccccc2)cc1 36155013 LITGHYMPJDZJFR-OAHLLOKOSA-N 227.307 2.520 0 40 BFAB O[C@@H](c1ccc2c(c1)OCCO2)c1cccs1 40247343 UIOUWTKMSGUBIB-ZDUSSCGKSA-N 248.303 2.601 0 40 BFAB COc1ccc([C@H](CN)CC(C)C)cc1OC 41278930 SBACSYVCPZUKSH-LBPRGKRZSA-N 237.343 2.792 0 40 BFAB Fc1ccc(OCC[C@@H]2CCCNC2)c(F)c1 42773515 VQMHQQRSHCFXLV-JTQLQIEISA-N 241.281 2.733 0 40 BFAB CC(C)c1ccc(C[C@@H](C)[C@H](N)CC(=O)O)cc1 44215201 MMGDWUDUVAVLSO-BXUZGUMPSA-N 249.354 2.791 0 40 BFAB CCCc1noc(CN(CCC)CC2CC2)n1 45004035 JAMYYSMIKGRWKJ-UHFFFAOYSA-N 237.347 2.644 0 40 BFAB Cc1cc(C(=O)c2c(F)cccc2F)ccn1 45038585 SYQGWZSNOLMMAM-UHFFFAOYSA-N 233.217 2.899 0 40 BFAB Cc1ccc([C@@H](C)NCc2cccn2C)o1 49537855 NNMHENCETSHRLR-LLVKDONJSA-N 218.300 2.777 0 40 BFAB CC(C)NC(=O)CSC/C=C/c1ccccc1 57686993 MTEFRQGUAYIXJI-RMKNXTFCSA-N 249.379 2.958 0 40 BFAB OC/C=C/c1cc(Cl)ccc1Cl 70452904 OABZZIINRREVHB-OWOJBTEDSA-N 203.068 2.999 0 40 BFAB C[C@@H]1Cc2cc(Br)ccc2NC1=O 71477001 VHCDRYSMKOGRJF-ZCFIWIBFSA-N 240.100 2.580 0 40 BFAB CNC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl 71895989 QSSKDZHXZOHFBL-YUMQZZPRSA-N 244.121 2.843 0 40 BFAB OCCN(Cc1ccsc1)[C@H]1C=CCCC1 71904894 OBEXPEPOVNTELT-ZDUSSCGKSA-N 237.368 2.651 0 40 BFAB O=C(O)c1[nH]ccc1-c1ccc(F)cc1 74204012 JUTNJSGBNNHACU-UHFFFAOYSA-N 205.188 2.519 0 40 BFAB CC(C)C1CCC([C@@H](F)C(=O)O)CC1 88157697 XRFFYTGXEUYZER-UDNWOFFPSA-N 202.269 2.872 0 40 BFAB CC(C)=CCC[C@H](C)N[C@@H]1CCc2[nH]ncc2C1 90454969 RUYGUJWLUBXEDO-GXTWGEPZSA-N 247.386 2.992 0 40 BFAB O=C(O)[C@H](Sc1ccncc1)c1ccccc1 94613701 YGUZSAIUUARYTB-GFCCVEGCSA-N 245.303 3.000 0 40 BFAB CSC[C@H](C)NC(=O)N1CCC[C@@H](C)[C@@H]1C 97010496 SFFGAUOYWMKFIS-VWYCJHECSA-N 244.404 2.568 0 40 BFAB Oc1c2c(nn1-c1ccc(Cl)cc1)CCC2 100072223 SBYGUFPJAGNOLT-UHFFFAOYSA-N 234.686 2.720 0 40 BFAB CC1CCC(C(=O)N2C[C@H]3CC[C@H]2C3)CC1 102361626 VZUPHPZJZKSALB-MVKMKZAISA-N 221.344 2.824 0 40 BFAB CCCn1nccc1CNCc1cccc(F)c1 159994111 DTPJEQMGOHJJGA-UHFFFAOYSA-N 247.317 2.722 0 40 BFAB CCCCC[S@@](=O)c1ccccc1OC 191181448 JSJBFZUCSXEQHF-OAHLLOKOSA-N 226.341 2.993 0 40 BFAB C[C@H](C(=O)O)N(C)c1cccc(C(F)(F)F)c1 224996074 FLIKSOITQSIEIL-SSDOTTSWSA-N 247.216 2.615 0 40 BFAB Cc1cc(N)c(NC(=O)C(C)C)cc1Cl 226346860 YIDGZAZLUSANSN-UHFFFAOYSA-N 226.707 2.825 0 40 BFAB CC(C)Cn1ncc2c(C=O)cccc21 252490183 KLHASXDFKZFZSZ-UHFFFAOYSA-N 202.257 2.505 0 40 BFAB CC1(C)CC2(CN(c3ccnc(C4CC4)n3)C2)C1 1776000480 ILBRIIWAVOKJIS-UHFFFAOYSA-N 243.354 2.980 0 40 BFAB Cc1ccc(N2C[C@H]3CCC[C@H]3C2)nc1 2298176288 CPAMGRQJCNFGRN-TXEJJXNPSA-N 202.301 2.626 0 40 BFAB O=C(Nc1ccc(F)cc1)Nc1cccnc1 158135 LKHPEGFGVVAXOU-UHFFFAOYSA-N 231.230 2.865 0 40 BFAB CCOC(=O)Cc1cccc2occc12 1387749 IQHUIGZIFRCAFR-UHFFFAOYSA-N 204.225 2.538 0 40 BFAB O=CNc1ccccc1Cc1ccccc1 1700398 LLTHBNIJWIBGTE-UHFFFAOYSA-N 211.264 2.846 0 40 BFAB Cc1ccc(-n2nc3c(c2N)CSC3)c(C)c1 2454960 JRSGHFFTABKVLF-UHFFFAOYSA-N 245.351 2.818 0 40 BFAB FC(F)Oc1ccc(NC2=NCCC2)cc1 3866632 KJQZXSKCSMWEMT-UHFFFAOYSA-N 226.226 2.892 0 40 BFAB CCOC(=O)[C@H](C)Oc1ccc(Cl)cc1 5832725 IZYDEGTZWAIWAZ-QMMMGPOBSA-N 228.675 2.670 0 40 BFAB CSc1ccc(NC(=O)c2cc(C)no2)cc1 11693215 OZNUMTFMNYIWHG-UHFFFAOYSA-N 248.307 2.957 0 40 BFAB Cc1ccc([C@@H](N)c2ccncc2)cc1C 11737349 VCAMUPUERIVAPE-AWEZNQCLSA-N 212.296 2.747 0 40 BFAB in-vitro O=C(O)c1cc2cccc(F)c2nc1Cl 11985714 HJZCIUVMJNRLND-UHFFFAOYSA-N 225.606 2.726 0 40 BFAB CCc1c(C=O)c(C)n(CCCOC)c1C 22122152 WGGWRILIWOOZMQ-UHFFFAOYSA-N 223.316 2.516 0 40 BFAB Cc1cc(C(=O)N[C@H](C)c2ccccc2C)no1 23679592 ZTIJCJNLMOVWAH-LLVKDONJSA-N 244.294 2.782 0 40 BFAB Cc1nnc(NCC2CC2)c2ccccc12 24203081 CBDWOXDAPZGUPV-UHFFFAOYSA-N 213.284 2.760 0 40 BFAB in-vitro CCCCOC(=O)c1ccc2cn[nH]c2c1 26431045 YPGSIUWSUSDDOV-UHFFFAOYSA-N 218.256 2.520 0 40 BFAB Fc1cccc(Cl)c1C[C@@H]1CCCN1 26514117 ZRNARRDQRDXRDY-QMMMGPOBSA-N 213.683 2.774 0 40 BFAB in-vitro O=C(NC1CCCCC1)c1ccc2c(c1)CCO2 32795028 BXVJYMJIBSOHRB-UHFFFAOYSA-N 245.322 2.684 0 40 BFAB C[C@@H](C(=O)O)c1ccc(Br)s1 34469600 MFVPTFUXSSLCTE-SCSAIBSYSA-N 235.102 2.699 0 40 BFAB in-vitro Nc1[nH]nc(C2CC2)c1-c1ccc(F)cc1 34975867 FJZFCWAGBLRELV-UHFFFAOYSA-N 217.247 2.675 0 40 BFAB Cc1ccc(CC[C@@H](N)C(F)(F)F)cc1 36456577 UAPPNNNMEOPBPN-SNVBAGLBSA-N 217.234 2.817 0 40 BFAB COCC(COC)(CC(C)C)C(C)C 38293201 RGHIYOCUMCUWAQ-UHFFFAOYSA-N 202.338 2.968 0 40 BFAB Cc1ccc(CN2CCC(C(=O)O)CC2)cc1C 38539658 QGENNQKQEMXWHB-UHFFFAOYSA-N 247.338 2.600 0 40 BFAB O=C(c1cccc2cn[nH]c12)N1CCCCCC1 39555725 XTXKYEPAZUKTKG-UHFFFAOYSA-N 243.310 2.579 0 40 BFAB CCOc1ccc(Br)cc1[C@H](C)O 40262178 QVNVUCKHXOBQQZ-ZETCQYMHSA-N 245.116 2.901 0 40 BFAB OCc1cccn1-c1ccc(C(F)(F)F)cc1 44198774 BIDZAUKVJOYBQQ-UHFFFAOYSA-N 241.212 2.988 0 40 BFAB COCCOCc1ccc(Br)cc1 49600974 LGSRXJSBIBWDHR-UHFFFAOYSA-N 245.116 2.612 0 40 BFAB Cc1ccc([C@@H](O)c2ccccn2)c(C)c1 55235734 PEBPNVOGXNQXED-CQSZACIVSA-N 213.280 2.780 0 40 BFAB O=C(c1ccccc1)[C@@H]1N[C@@H]1c1ccccc1 57211575 SUHPZGRFOCEHTL-ZIAGYGMSSA-N 223.275 2.582 0 40 BFAB in-vitro CC[C@@H](COC)NCc1ccccc1Cl 70656166 GPMANUYYWIZJRX-NSHDSACASA-N 227.735 2.855 0 40 BFAB CSC[C@@H](C)C(=O)NC/C=C/c1ccccc1 71902894 ODSDBFBXTHXLPS-UVMWJGKXSA-N 249.379 2.815 0 40 BFAB CC(C)CN(C(=O)/C=C/c1ccncc1)C1CC1 71908114 IJTNCNNLROHKJO-ZZXKWVIFSA-N 244.338 2.742 0 40 BFAB Cc1ccc(CC(=O)NC(C)(C)C)c(C)c1 74960101 AVPXCTJZQIUDQI-UHFFFAOYSA-N 219.328 2.761 0 40 BFAB NCCOc1ccc(Cl)c(C(F)(F)F)c1 75880713 PQRHNRYWOZBIDH-UHFFFAOYSA-N 239.624 2.696 0 40 BFAB O=C(Nc1nc(C2CC2)cs1)C1CC=CC1 77735786 GLGJOEOWOLLZBN-UHFFFAOYSA-N 234.324 2.925 0 40 BFAB C[C@@H](NC(=O)N(C)[C@H](C)C1CC1)c1ccccn1 79213019 HBTQPSFSJDWGOJ-GHMZBOCLSA-N 247.342 2.583 0 40 BFAB Nc1cccc(Cc2nc3ccccc3[nH]2)c1 82545044 YCICADUXPJHXGT-UHFFFAOYSA-N 223.279 2.736 0 40 BFAB CCC(=O)N(C)Cc1cccc(OC(C)C)c1 95440251 NYXWIKXJFKMQEZ-UHFFFAOYSA-N 235.327 2.842 0 40 BFAB CCC(=O)Nc1ccccc1CSC 95940169 WWDRDYIFAIPTDC-UHFFFAOYSA-N 209.314 2.898 0 40 BFAB Cc1[nH]c2nc(Cl)nc(Cl)c2c1C 96304587 WJQMLAPXOBKVGG-UHFFFAOYSA-N 216.071 2.882 0 40 BFAB COc1ccc(/C(=C\C(=O)O)C2CC2)cc1OC 96319315 QNTOXILJSLYTEG-FLIBITNWSA-N 248.278 2.582 0 40 BFAB CC[C@H](C)Sc1ccc(S(C)(=O)=O)cc1 96413684 SZVPKKRWPKNQHQ-VIFPVBQESA-N 244.381 2.981 0 40 BFAB FC1(F)[C@H]2[C@H]3[C@@H]4[C@H]5C[C@H]3[C@@H]1[C@@H]5C(F)(F)[C@H]42 100884494 GYFYKIHJGPVWNB-JPXGXNGZSA-N 218.193 2.645 0 40 BFAB O=C(NCc1cccs1)[C@@H]1C[C@H]2C=C[C@H]1C2 102261363 PZPNTCUPGZJLPE-JBLDHEPKSA-N 233.336 2.577 0 40 BFAB Cc1cccc(N2CCc3ccccc3C2)n1 114183177 KDUWZBGYZSTRDO-UHFFFAOYSA-N 224.307 2.953 0 40 BFAB C(=C/c1ccncn1)\c1ccc(-n2cccn2)cc1 157292174 GAUOSCCPUQHENE-GORDUTHDSA-N 248.289 2.833 0 40 BFAB CCN[C@H](C)C(=O)c1cccc(Cl)c1 169332712 ZMJIUWPWADQNLC-MRVPVSSYSA-N 211.692 2.521 0 40 BFAB in-vitro Cc1nc(C(=O)N2c3ccccc3C[C@H]2C)co1 188111445 DIMXOAAKAOVCNZ-SECBINFHSA-N 242.278 2.574 0 40 BFAB Cc1cccc(C)c1C(=O)Nc1ccncc1O 195557069 SSFZLPBFMRRFOW-UHFFFAOYSA-N 242.278 2.656 0 40 BFAB Cc1cc([C@@H]2CCNC(=O)C2)ccc1Cl 199779597 KKCMXKLUBVCAFT-SNVBAGLBSA-N 223.703 2.642 0 40 BFAB CCOc1ccccc1CCCNC(=O)CC 225482573 HGIIWAVQFJNTGG-UHFFFAOYSA-N 235.327 2.544 0 40 BFAB O=C(O)c1cccc(C2(CO)CCCCC2)c1 256046115 CUAHCMAJXHRGQA-UHFFFAOYSA-N 234.295 2.579 0 40 BFAB O=Cc1cc(C(=O)O)cc(-c2ccccc2)c1 757194060 VKVZVRIBCULALV-UHFFFAOYSA-N 226.231 2.864 0 40 BFAB c1cc(-c2ncc(-c3ccn[nH]3)s2)ccn1 1396201 UIBACKAHNXCNFW-UHFFFAOYSA-N 228.280 2.595 0 40 BFAB Nc1c(-c2ccccc2)cc2ccccc2[n+]1[O-] 1717369 PHWXNNRIJWCZAS-UHFFFAOYSA-N 236.274 2.722 0 40 BFAB O=C(c1cccnc1)c1c[nH]c2ccccc12 1727140 YRXSFCQXFHXFGU-UHFFFAOYSA-N 222.247 2.794 0 40 BFAB in-vitro CC1=CC=C[C@@]2(C)Cc3ccccc3C(=O)N12 3847862 GDQGOVZWJGEURB-HNNXBMFYSA-N 225.291 2.917 0 40 BFAB biogenic CN(C)CCO[C@@H]1C(C)(C)[C@@H]2CC[C@@]1(C)C2 4416399 SZZKEDPTVWMFNF-BZPMIXESSA-N 225.376 2.779 0 40 BFAB COc1cc(/C=C\c2ccccc2)oc(=O)c1 4759342 DKKJNZYHGRUXBS-FPLPWBNLSA-N 228.247 2.819 0 40 BFAB CCCCC(=O)c1ccccc1C(=O)O 14619964 SWAMOIJQDQZLRX-UHFFFAOYSA-N 206.241 2.758 0 40 BFAB biogenic,in-vitro O=C(Nc1ccncc1)Nc1cccc(F)c1 15973878 LBYBSZMNUDFXEU-UHFFFAOYSA-N 231.230 2.865 0 40 BFAB C[C@@H](NC(=O)c1ccco1)c1cccs1 21358969 MULFSDKNAAIJQY-MRVPVSSYSA-N 221.281 2.832 0 40 BFAB N[C@@H](COc1ccccc1F)c1ccccc1 22565755 YQMXYMOZEVGKEC-ZDUSSCGKSA-N 231.270 2.905 0 40 BFAB in-vitro Cc1c(Cl)cccc1-n1cccc1CN 23993785 UOVQVCJGGCWIDQ-UHFFFAOYSA-N 220.703 2.898 0 40 BFAB CN(C(=O)c1ccccc1F)C1CCCC1 30758425 ADELRGZJXYCAAG-UHFFFAOYSA-N 221.275 2.840 0 40 BFAB Cc1ccccc1C(=O)N1C[C@@H](C)OCC1(C)C 36075959 MLBGDSCCGGWOAC-GFCCVEGCSA-N 247.338 2.635 0 40 BFAB CC[C@@H](O)Cc1ccccc1Br 37465449 UFPXZMODXKUNDI-SECBINFHSA-N 229.117 2.763 0 40 BFAB C[C@H](C(=O)O)c1ccccc1C(F)(F)F 40740225 JPPNPOBHKNSXQZ-LURJTMIESA-N 218.174 2.894 0 40 BFAB in-vitro CC(C)(C)c1cc(NC(=O)C2CC2)ccn1 41571081 SJZXIJWGPVAHCN-UHFFFAOYSA-N 218.300 2.728 0 40 BFAB CCC(=O)NCc1cccc(OC(C)C)c1 46655807 DDGUEDYVFKPRPG-UHFFFAOYSA-N 221.300 2.500 0 40 BFAB Cc1onc(-c2cc(F)ccc2F)c1C(=O)O 70426672 WCCCBWDQPKXBLW-UHFFFAOYSA-N 239.177 2.626 0 40 BFAB C[C@H]1C[C@H]1C(=O)NCc1ccc(F)c(Cl)c1 71853719 LCSKOWQGWZJIGA-IONNQARKSA-N 241.693 2.751 0 40 BFAB CCCN1CCC[C@@H]1c1ccc(O)nc1C 72218201 UDRYWTZGTMQKNM-GFCCVEGCSA-N 220.316 2.643 0 40 BFAB OC[C@]1(c2ccccc2)CCCCS1 72220164 JFQPWIAQOLTFLD-LBPRGKRZSA-N 208.326 2.791 0 40 BFAB NN[C@@H]1C[C@H](c2ccccc2)Oc2ccccc21 198837259 SEIVILKLJUTCRY-UKRRQHHQSA-N 240.306 2.715 0 40 BFAB CCC/C=C/C=C/[C@@H](CCC(=O)O)CC(=O)O 225420218 NNKOXHKCIDFKIK-YMMJRAIESA-N 240.299 2.855 0 40 BFAB biogenic,in-vitro CC(C)n1ncc2c1N[C@H]1CCC[C@@H]1C2 225813515 IXRCEJNAXWHWRH-KOLCDFICSA-N 205.305 2.601 0 40 BFAB CCCN(c1ccc(C)cc1)[C@H](C)C(=O)O 260677437 FBJFPRUENYPJMH-LLVKDONJSA-N 221.300 2.685 0 40 BFAB Cc1nnc(OCC2CC2)c2ccccc12 585652709 SSZWHJQPNLNSGM-UHFFFAOYSA-N 214.268 2.727 0 40 BFAB NNc1ncnc2sc(-c3ccccc3)cc12 97782 UAOUEAFHRAFLKS-UHFFFAOYSA-N 242.307 2.644 0 40 BFAB COc1ccccc1OC(=O)c1cccs1 338538 LCVPOIWPINSTGT-UHFFFAOYSA-N 234.276 2.976 0 40 BFAB CCCC(C)(C)COC(=O)CCOCC 1602764 KWRIZZPTSSEGSB-UHFFFAOYSA-N 216.321 2.783 0 40 BFAB CC(C)(N)CCCCOc1ccccc1 1654109 XXXDPNMMPWKCJW-UHFFFAOYSA-N 207.317 2.973 0 40 BFAB CC(=O)Nc1cc(Cl)c(N)c(Cl)c1 1685770 AWRLPYQRPGYTBM-UHFFFAOYSA-N 219.071 2.534 0 40 BFAB in-vitro CCOc1nc2ccccc2cc1/C=C/C(=O)O 3335167 NWIXTYOMOKXFNS-BQYQJAHWSA-N 243.262 2.731 0 40 BFAB CCCc1cc(C(=O)Nc2cccc(O)c2)no1 3908970 LQTQZMUAZDLQMD-UHFFFAOYSA-N 246.266 2.585 0 40 BFAB CC(/C=C/c1ccc(Cl)o1)=C\C(=O)O 4770026 CMGZBBDULSFUFW-BLWKUPHCSA-N 212.632 2.977 0 40 BFAB CC(=O)Nc1c(-c2ccccc2)noc1C(C)=O 4776809 YHSGERMTCUCYLE-UHFFFAOYSA-N 244.250 2.503 0 40 BFAB S=C(S)N1N=CC[C@H]1c1ccccc1 5647702 ACEWBOIMCFVVKN-VIFPVBQESA-N 222.338 2.634 0 40 BFAB biogenic C[C@H]1CCc2sc(C(=O)NC3CC3)cc2C1 8077197 PWVDVPGEMCFCOQ-QMMMGPOBSA-N 235.352 2.765 0 40 BFAB c1ccc2cc([C@H]3NCCc4[nH]cnc43)ccc2c1 8653669 WZHSWXWEOLPVRV-OAHLLOKOSA-N 249.317 2.798 0 40 BFAB CONC(=O)Cc1ccc(-c2ccccc2)cc1 9497686 STFILSMLHKQDTA-UHFFFAOYSA-N 241.290 2.574 0 40 BFAB CCOc1ccc(-c2noc(C)c2C(=O)O)cc1 11627982 JQDDLABHUQXTBK-UHFFFAOYSA-N 247.250 2.747 0 40 BFAB CC[C@]1(C)C[C@@]2(C=C[C@H](O)CC2)CCO1 12656524 MEELPUOSODYWIN-YNEHKIRRSA-N 210.317 2.663 0 40 BFAB biogenic CCC(=O)Nc1cccc(NC(=O)C2CCC2)c1 12913516 RUICPRVZPPVIRQ-UHFFFAOYSA-N 246.310 2.774 0 40 BFAB O=C(NCC1CC1)C1(c2cccc(Cl)c2)CC1 12977301 UWDHIBJFCNHSEY-UHFFFAOYSA-N 249.741 2.898 0 40 BFAB O=C(O)CCCOc1cccc2c1CCCC2 13609410 LOBZLVYZZOISKZ-UHFFFAOYSA-N 234.295 2.809 0 40 BFAB C[C@H]1C[C@@H](C)CN(Cc2cccc(C(=O)O)c2)C1 15418188 VAWZGBRAFHERAI-TXEJJXNPSA-N 247.338 2.863 0 40 BFAB NCCCCOc1cccc2ccccc12 19272622 LWQHQCZWWPIVDJ-UHFFFAOYSA-N 215.296 2.958 0 40 BFAB CC(C)CCNC(=O)c1cc(N)ccc1Cl 19385996 PZLWOWRYNCBPQJ-UHFFFAOYSA-N 240.734 2.698 0 40 BFAB Cc1ccc(NC(=O)C(C)(C)C)c(C(=O)O)c1 19807054 AHQRRRQUDQKPJM-UHFFFAOYSA-N 235.283 2.678 0 40 BFAB O=C(O)c1ccnc(Oc2ccccc2)c1 19812967 MVRLAYNMGBRJTD-UHFFFAOYSA-N 215.208 2.572 0 40 BFAB in-vitro CC(C)(C)c1noc(-c2ccccc2C(=O)O)n1 20593756 PHDHRVFFYFFTIE-UHFFFAOYSA-N 246.266 2.732 0 40 BFAB in-vitro O=C(CSc1ccncc1)Nc1ccccc1 33019552 ROGBIOZZPZEIJL-UHFFFAOYSA-N 244.319 2.812 0 40 BFAB COc1ccc(OC(C)C)c(CNC2CC2)c1 34656232 YNBDUMSBETVAJI-UHFFFAOYSA-N 235.327 2.734 0 40 BFAB CC(C)(C)OC(=O)N1CC(c2ccc(N)cc2)C1 44135284 XCLKFXTWLPMSFY-UHFFFAOYSA-N 248.326 2.603 0 40 BFAB CCCCCNC(=O)c1ccc2c(c1)CCO2 45115025 COFBHZSZJUGCAE-UHFFFAOYSA-N 233.311 2.542 0 40 BFAB Cc1ccc(C(=O)N2CCC[C@@H]2c2ccc[nH]2)o1 48687318 DLDCHCLKDLGHPD-GFCCVEGCSA-N 244.294 2.893 0 40 BFAB Cc1nc(NC(=O)NCCC(C)(C)C)oc1C 49211864 IOODDXKICFXRQI-UHFFFAOYSA-N 239.319 2.849 0 40 BFAB Cc1ccc(C(=O)NC(C)(C)C)cc1F 52817684 JCZKQKXZKMXVRE-UHFFFAOYSA-N 209.264 2.662 0 40 BFAB CCC(=O)Nc1cc(-c2sccc2C)n[nH]1 58245292 FWPBQTKCCWPRDS-UHFFFAOYSA-N 235.312 2.795 0 40 BFAB O=C(O)c1[nH]nc(C2CC2)c1Cc1ccccc1 72220405 PLNVCTBBEMVJNZ-UHFFFAOYSA-N 242.278 2.576 0 40 BFAB CC[C@H](O)c1cnc(N(CC)CC)cc1C 72223262 FKCTZEVGPNDVAL-LBPRGKRZSA-N 222.332 2.680 0 40 BFAB COC(=O)[C@@H]1C[C@H]1c1ccccc1Cl 73195165 WAJGAEFEFSVVGO-DTWKUNHWSA-N 210.660 2.617 0 40 BFAB COc1cccc2cccc(C(=O)O)c12 75602286 AGWGITMRMDHPGN-UHFFFAOYSA-N 202.209 2.547 0 40 BFAB O=C(O)c1cc(=O)c2sc3ccccc3c2o1 82310041 OLLOFISPVBEVLC-UHFFFAOYSA-N 246.243 2.706 0 40 BFAB CNCc1cccc(NC(=O)OC(C)(C)C)c1 83126787 PSQYKLPCNITCGP-UHFFFAOYSA-N 236.315 2.753 0 40 BFAB CCCc1c(N)cnn1-c1ccc(F)cc1 85634252 VIUWBCSXAAOBFA-UHFFFAOYSA-N 219.263 2.546 0 40 BFAB in-vitro COc1ccc(CN[C@@H](C)c2cn[nH]c2C)cc1 89544460 ANOZBVWVNLGIHZ-JTQLQIEISA-N 245.326 2.578 0 40 BFAB CC(C)n1c(NN)nc2ccc(Cl)cc21 95532055 BQEGSRZGAJXPBO-UHFFFAOYSA-N 224.695 2.556 0 40 BFAB Cc1ccc(C(=O)C[C@H](C)CC(=O)O)cc1F 95634330 GTGCINOILOOXOE-QMMMGPOBSA-N 238.258 2.818 0 40 BFAB Cc1nnc(CSCc2cnc(C)s2)o1 96467854 SRAMVZNTTYOFQJ-UHFFFAOYSA-N 241.341 2.576 0 40 BFAB COc1cc(Br)c(C)cc1F 98210761 FILALLZIJMDEDC-UHFFFAOYSA-N 219.053 2.905 0 40 BFAB C[C@H](NC(=O)c1ccncc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 100384381 QWPBNHGILXSDPW-UNJBNNCHSA-N 244.338 2.636 0 40 BFAB COc1ccc2c(c1)C1[C@H]3C4C5[C@@H]3C2[C@H]5[C@@H]14 101037046 ACYLUOJGJPYKPD-WTEGDZJDSA-N 210.276 2.628 0 40 BFAB C[C@H](CCn1cccn1)NC[C@@H]1CC=CCC1 158717002 XDPMWDROVGNJFV-ZIAGYGMSSA-N 233.359 2.608 0 40 BFAB CN1CCCc2c(Br)cccc21 216590410 XKTDKRYRSHLSAN-UHFFFAOYSA-N 226.117 2.832 0 40 BFAB O=C(NCC1=CCCCC1)c1ccccc1 223368404 QTHKGEIXPACTCT-UHFFFAOYSA-N 215.296 2.917 0 40 BFAB CCn1cc(NCc2ccnn2C(C)C)c(C)n1 256052924 PEWVMZMRRLMVCZ-UHFFFAOYSA-N 247.346 2.601 0 40 BFAB CCCCOCc1ccnn1CC(C)C 408716748 QMARDJVGJJNESZ-UHFFFAOYSA-N 210.321 2.856 0 40 BFAB CCc1cc(CO)c2ccc(Cl)cc2n1 685937543 QVAWTHYZVGQCDM-UHFFFAOYSA-N 221.687 2.943 0 40 BFAB CC(=O)N(C)CC12CC(C(C)(C)C)(C1)C2 952983468 HMOOLBVURBYQOR-UHFFFAOYSA-N 209.333 2.681 0 40 BFAB O=Cc1cnc2onc(-c3ccccc3)c2c1 1531876370 JXJGPBMACJEMNJ-UHFFFAOYSA-N 224.219 2.702 0 40 BFAB CC1(C)C[C@@H]2CNCC[C@@H]2N1c1cccc(F)c1 1615155831 HVTVMXDSAWQJDB-RISCZKNCSA-N 248.345 2.793 0 40 BFAB CC1=CCC[C@H](C)C(=O)CC2=C(C)C(=O)O[C@@H]2C1 1772591989 VILHAYBRKKWZBQ-IINYFYTJSA-N 248.322 2.954 0 40 BFAB Clc1ccccc1Oc1cnccn1 1888888234 MAZIVPLKDHXNAL-UHFFFAOYSA-N 206.632 2.922 0 40 BFAB Cc1ccc(C(=O)NCCc2ccccc2)o1 249632 JJKWOSMLEYFTGO-UHFFFAOYSA-N 229.279 2.561 0 40 BFAB Cc1cccc(-n2cnc3ccccc3c2=O)c1 347682 VCVAUJLDUKQBIP-UHFFFAOYSA-N 236.274 2.694 0 40 BFAB COc1ccccc1C(=O)Nc1cccc(O)c1 351306 ZQBIFXVCQZTASX-UHFFFAOYSA-N 243.262 2.653 0 40 BFAB CC(=O)c1cccc(-c2ccc(C=O)o2)c1 569349 RQSCNBSVFYFHNX-UHFFFAOYSA-N 214.220 2.962 0 40 BFAB CCOC(=O)Cc1c(C)cc(C)cc1C 1586612 OFZZPFNYAMIBNU-UHFFFAOYSA-N 206.285 2.717 0 40 BFAB CNC(=O)Oc1c(C)ccc2ccccc12 1668514 RHCIRZIJAGGYTD-UHFFFAOYSA-N 215.252 2.866 0 40 BFAB NC(=O)C1(Nc2ccc(Cl)cc2)CCCC1 1682248 WFPMJADAGRIJPK-UHFFFAOYSA-N 238.718 2.550 0 40 BFAB CC(C)(C)N1CCc2cc3c(cc2C1)OCO3 1704006 OKPJUVOAYGELMO-UHFFFAOYSA-N 233.311 2.572 0 40 BFAB biogenic C[C@H]1CCCCN1C(=O)C1CCCCC1 2748087 MEVAOYUHYHMIBO-NSHDSACASA-N 209.333 2.968 0 40 BFAB Cc1ccc([C@H]2CNC(=S)S2)cc1 6487815 GIXAEOZXVGMIGF-SECBINFHSA-N 209.339 2.657 0 40 BFAB Cc1ccc(C)c(NC(C)(C)C(=O)O)c1 8702863 CSPWLIZEHBCPEI-UHFFFAOYSA-N 207.273 2.579 0 40 BFAB CC(C)(CCC(=O)O)c1ccc(F)cc1 11631055 KSPWFBNIXZCUJV-UHFFFAOYSA-N 210.248 2.968 0 40 BFAB O=C(O)/C=C\c1cc(Br)cs1 12370141 VHKFUECAKTYKCR-UPHRSURJSA-N 233.086 2.608 0 40 BFAB COc1ccc(OC)c2c1[C@@H]1C=C[C@H]2C1 12402888 DQJLQTJXZMEMBV-DTORHVGOSA-N 202.253 2.845 0 40 BFAB C[C@H]1c2ccsc2CCN1c1ncccn1 12921214 WPYXLHXCGISKEO-VIFPVBQESA-N 231.324 2.662 0 40 BFAB CC(C)CNC(=S)Nc1ccc(Cl)cn1 13837973 ZTQXIURISVLLGR-UHFFFAOYSA-N 243.763 2.677 0 40 BFAB Oc1ccccc1C(=S)NCc1ccccc1 15015037 MHNQKMFMCMQVSD-UHFFFAOYSA-N 243.331 2.858 0 40 BFAB Cc1cccc(CNCc2ccccn2)c1 19956943 HIVYTJVCPSBPIM-UHFFFAOYSA-N 212.296 2.680 0 40 BFAB in-vitro Nc1ccc(N2CCc3ccccc3C2)c(F)c1 20135716 ARBPHFUDGVSPAY-UHFFFAOYSA-N 242.297 2.971 0 40 BFAB c1ccc(Cc2noc([C@@H]3CCCO3)n2)cc1 20536282 DSUSHLWIOWYFNC-NSHDSACASA-N 230.267 2.512 0 40 BFAB CCN1CCc2nc3ccccc3c(C)c2C1 32666060 VQQFELDOFSTWGE-UHFFFAOYSA-N 226.323 2.921 0 40 BFAB C[C@H](Nc1nc2ccccc2o1)[C@@H]1CCCO1 37998868 QBGNQXMVEOBHOP-ONGXEEELSA-N 232.283 2.807 0 40 BFAB C[C@H](OCC(F)(F)F)C(=O)Nc1ccccc1 40092839 WVHHCDAKNFEQEF-QMMMGPOBSA-N 247.216 2.593 0 40 BFAB CCCc1ccc(OC[C@H]2CCNC2)c(OC)c1 42773778 NNSXXLARCDTTJA-ZDUSSCGKSA-N 249.354 2.636 0 40 BFAB c1ccc2[nH]c(SC[C@H]3CCCCN3)nc2c1 43495152 JMMPSJWGRKJVCJ-SNVBAGLBSA-N 247.367 2.797 0 40 BFAB O=C(c1cccc2c1NCCC2)N1CCCCC1 50957578 HNULWQZDTJQVSZ-UHFFFAOYSA-N 244.338 2.671 0 40 BFAB CCN(CC)Cc1nccn1Cc1ccccc1 69492409 YKBFHCKGLKBWMA-UHFFFAOYSA-N 243.354 2.773 0 40 BFAB COc1ccc(N)cc1-c1cnn(C(C)C)c1 72209887 JEFNHZGGBBVKEL-UHFFFAOYSA-N 231.299 2.722 0 40 BFAB Cc1cncc([C@H]2CCCN2C(C)C)c1 72211343 LVNNMYCEPFUUIC-CYBMUJFWSA-N 204.317 2.935 0 40 BFAB O[C@H](c1ccccc1)c1ccc(NC2CC2)nc1 72225701 MPWDWPXMOVDZPM-OAHLLOKOSA-N 240.306 2.738 0 40 BFAB Cc1nc(CNc2cccc3c2CCCC3)no1 75108496 BDGITVNIPPTMOC-UHFFFAOYSA-N 243.310 2.869 0 40 BFAB O=C(c1ccco1)N1CC=C(c2ccccc2)C1 95465015 ULHWGTAADJWRPZ-UHFFFAOYSA-N 239.274 2.819 0 40 BFAB COc1ccc(C)cc1[C@@H](C)N[C@@]1(C)CCOC1 97038577 DGCUEFWNQLXXMC-DOMZBBRYSA-N 249.354 2.833 0 40 BFAB O=C(O)[C@]12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2 100477863 GMOBHRQSNDDZAD-IIZABUBRSA-N 214.692 2.649 0 40 BFAB Cc1cc(C2=NCC(C)(C)S2)ccc1O 104153772 UWRWKPMHKGJZFB-UHFFFAOYSA-N 221.325 2.973 0 40 BFAB CC[C@@H](NN)c1ccc(C(C)(C)C)cc1 161808106 JUXMOFQWZGJTOD-GFCCVEGCSA-N 206.333 2.899 0 40 BFAB CN(C)c1cc(F)ccc1Br 169797882 CEQAUPIYGHOQDT-UHFFFAOYSA-N 218.069 2.654 0 40 BFAB C[Si](C)(C)CNC(=O)OCc1ccccc1 195499472 MWVUREPCKMPVOF-UHFFFAOYSA-N 237.375 2.790 0 40 BFAB Cc1nc(-c2nc(-c3ccc(F)cc3)no2)co1 216618302 TUCWJEPDCUIBHK-UHFFFAOYSA-N 245.213 2.839 0 40 BFAB CCOc1nc(Cl)ncc1C(F)(F)F 242701925 WSJBPKOUGFPVTN-UHFFFAOYSA-N 226.585 2.548 0 40 BFAB CCO[C@H](CNC(=O)[C@H]1C[C@H]1C)c1ccccc1 248845685 TWCRWVUIKITSDZ-KWCYVHTRSA-N 247.338 2.536 0 40 BFAB c1ccc2nc(O[C@H]3CCSC3)cnc2c1 585652139 LCYJNDNHLSEKDO-VIFPVBQESA-N 232.308 2.514 0 40 BFAB CCCC[C@H](CC)C(=O)NCc1ccccn1 2064684 GRVLXKVQWBUDNK-LBPRGKRZSA-N 234.343 2.914 0 40 BFAB O=C(c1ccccc1CN1CCCC1)C1CC1 2515589 HHQWGBNVTNPUQP-UHFFFAOYSA-N 229.323 2.875 0 40 BFAB Nc1cccc(-c2ccc(/C=C/C(=O)O)o2)c1 8701973 XYNPSXKFYUUDBW-FNORWQNLSA-N 229.235 2.627 0 40 BFAB O=C(c1ccccc1O)N1CCCCCCC1 12978858 LYSXLWZBDYETHN-UHFFFAOYSA-N 233.311 2.799 0 40 BFAB CCN(CC)C(=O)c1cc(C)ccc1C 15119461 TWXANGNDDHVUIU-UHFFFAOYSA-N 205.301 2.785 0 40 BFAB Cc1nnc(C)c2c(C)n(-c3ccccc3)nc12 19909611 JQNROROAQAJZSM-UHFFFAOYSA-N 238.294 2.741 0 40 BFAB CC[C@@H](C)C(=O)Nc1cc(OC)cc(OC)c1 23082148 GAESAQJWJOQQAE-SECBINFHSA-N 237.299 2.688 0 40 BFAB CCOC(=O)[C@@H]1[C@H]2c3ccccc3CC[C@@H]12 25630260 XDYQDLVZJKAJBM-AGIUHOORSA-N 216.280 2.526 0 40 BFAB CONC(=O)c1cccc(Oc2ccccc2)c1 25822819 METHXLKHCUUSHD-UHFFFAOYSA-N 243.262 2.770 0 40 BFAB Cc1cnc(SCc2cn3ccccc3n2)[nH]1 27029321 ARSGVRFGSZTPEV-UHFFFAOYSA-N 244.323 2.658 0 40 BFAB CSc1n[nH]c(/C=C/c2ccccc2)n1 32789352 AVCQUQDTZAELIZ-BQYQJAHWSA-N 217.297 2.697 0 40 BFAB COc1ccc(-c2ccccn2)c(OC)c1 34520843 SUCRXPISVHPSRD-UHFFFAOYSA-N 215.252 2.766 0 40 BFAB CC(C)CC(=O)N(C)[C@H](C)[C@@H](O)c1ccccc1 52514027 INBVDWVAPFBTHE-IUODEOHRSA-N 249.354 2.613 0 40 BFAB CCCN(CCC)C(=O)c1c(C)noc1C 58406398 HOPOYUFONMJPIG-UHFFFAOYSA-N 224.304 2.554 0 40 BFAB Cc1ccc(SCCNC(=O)C2CC2)cc1 61046605 MKLLBUZAWXAOJH-UHFFFAOYSA-N 235.352 2.613 0 40 BFAB C[C@H]1C[C@H]1c1ccc(CCC(=O)N(C)C2CC2)o1 65516651 JSBSTHQIWUGXDZ-GXFFZTMASA-N 247.338 2.956 0 40 BFAB CCCCCCNCc1cnn(CC)c1 69631235 IAGPGQYDDJJFFM-UHFFFAOYSA-N 209.337 2.573 0 40 BFAB CCN1CCCC[C@@H]1c1ccc(OC)nc1 72211679 UPDMWTHFYWSOKG-GFCCVEGCSA-N 220.316 2.637 0 40 BFAB Cc1cc(Oc2ccccc2)ncc1CCO 72223169 WCNHQDMUOISXSY-UHFFFAOYSA-N 229.279 2.717 0 40 BFAB Cc1nc(NC(C)(C)C)ccc1[C@H](C)O 72225013 IKGBIXPLBDOJTI-VIFPVBQESA-N 208.305 2.654 0 40 BFAB Cc1cc2c(cc1Br)NC[C@@H](C)O2 72314761 STUKZTVEFCFQJX-SSDOTTSWSA-N 242.116 2.950 0 40 BFAB in-vitro CC(C)C(=O)N1CCC[C@@H](Cc2cccnc2)C1 72361263 XSGFYNSYPIDASA-AWEZNQCLSA-N 246.354 2.519 0 40 BFAB c1cnc2ccc(C[C@@H]3CCCNC3)cc2c1 72367587 OMJASBSVENNOHR-ZDUSSCGKSA-N 226.323 2.777 0 40 BFAB Clc1cnc(Br)c(Cl)n1 81991268 CCUUKMSFOYYAKB-UHFFFAOYSA-N 227.876 2.546 0 40 BFAB in-vitro CC(=O)OCC(F)(F)c1ccc(Cl)cc1 95470362 IERSKUPQESRXMO-UHFFFAOYSA-N 234.629 2.995 0 40 BFAB Oc1cc2cccc(C(F)(F)F)c2cn1 95836367 GHLCOMBXKHUYLA-UHFFFAOYSA-N 213.158 2.959 0 40 BFAB in-vitro COC(=O)c1c[nH]cc1-c1ccc(C)s1 95883829 MLNRAOOLCVCYGU-UHFFFAOYSA-N 221.281 2.838 0 40 BFAB in-vitro CC(C)=CCN1CC[C@H](C)[C@@H](n2ccnc2)C1 95981727 OFAMWEALWZLOLF-KBPBESRZSA-N 233.359 2.732 0 40 BFAB CCCN(c1ncc(Cl)cn1)C1CC1 97145468 CJGCFAKBGSSLNZ-UHFFFAOYSA-N 211.696 2.509 0 40 BFAB O=C(c1coc(-c2ccccc2)n1)N1CCCC1 98012622 AQENEXMXKMJZJT-UHFFFAOYSA-N 242.278 2.578 0 40 BFAB CC[C@H](C)C(=O)c1ccc(F)c(C#N)c1 379946766 JHNKBOSAPVIOBR-QMMMGPOBSA-N 205.232 2.926 0 40 BFAB COc1c(F)cc(F)cc1C(=O)[C@@H](C)Cl 382674425 KHQPAUPTIMAQGM-RXMQYKEDSA-N 234.629 2.783 0 40 BFAB COc1ccc(N(C#N)C[C@@H]2CCCCO2)cc1 530315709 ROCHVLVCRXVFHG-AWEZNQCLSA-N 246.310 2.552 0 40 BFAB O=C(Cc1c[nH]c2ccccc12)NC1CCCC1 299221 ZPJBOIPNDKXSIU-UHFFFAOYSA-N 242.322 2.769 0 40 BFAB O=C(Nc1cccc2cccnc12)C(F)(F)F 973515 YXWUOVBRRVKKQF-UHFFFAOYSA-N 240.184 2.736 0 40 BFAB N=C(N)Cc1cccc(Oc2ccccc2)c1 1442807 MOMNGOUJBOTOEU-UHFFFAOYSA-N 226.279 2.957 0 40 BFAB Cc1ccc(OC(=O)NC(C)(C)C)cc1 1738792 BPEXDDJJJGXJOE-UHFFFAOYSA-N 207.273 2.882 0 40 BFAB CCNCc1ccc(Br)s1 3378503 PUIYHTDCOWCDRS-UHFFFAOYSA-N 220.135 2.620 0 40 BFAB in-vitro CCC(=O)Nc1c2c(nc3c1CCC3)CCCC2 4003473 AHGYNPDGONVWAO-UHFFFAOYSA-N 244.338 2.798 0 40 BFAB biogenic COc1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1Cl 5463867 NFJNXCKNGOHUAQ-IONNQARKSA-N 239.702 2.943 0 40 BFAB CC[C@@H](C)C(=O)Nc1cccc(NC(C)=O)c1 5593250 ARVBRUYZYLJRKP-SECBINFHSA-N 234.299 2.630 0 40 BFAB CSc1nnc(Cc2ccc(C)cc2)o1 9199214 ZWRHNGZIPVMMCS-UHFFFAOYSA-N 220.297 2.691 0 40 BFAB O=C(Nc1ccccc1O)c1cc(F)cc(F)c1 9478299 VDWVXBXTZRDQOJ-UHFFFAOYSA-N 249.216 2.923 0 40 BFAB CC(C)C[C@H](N)c1nnc(-c2ccccc2)o1 11586618 JHYINNKFJSWFRX-NSHDSACASA-N 231.299 2.783 0 40 BFAB CC(C)CC(=O)Nc1onc2c1C[C@@H](C)CC2 11916768 GWHUCUSJIVMXBI-VIFPVBQESA-N 236.315 2.784 0 40 BFAB CC(=O)N1CCCSc2ccccc21 12879082 BDTBLAHMADZSML-UHFFFAOYSA-N 207.298 2.535 0 40 BFAB C[C@H]1CC(=O)c2c(O)ccc(Br)c21 19413975 PZKXRNOZMKHSEB-YFKPBYRVSA-N 241.084 2.845 0 40 BFAB CC(C)N1CCN(C2CCCCCC2)CC1 19900024 JYSKACGLFWOIJK-UHFFFAOYSA-N 224.392 2.735 0 40 BFAB Cc1cc(C(=O)O)cc(C)c1OC(C)C 20120517 HVPYDBPPEXKIAY-UHFFFAOYSA-N 208.257 2.789 0 40 BFAB CCOc1ccccc1[C@H]1C[C@H]1C(C)=O 20594353 KONPPYQVYNWOOL-NWDGAFQWSA-N 204.269 2.778 0 40 BFAB CNC(=O)Oc1ccccc1OC(C)(C)C 21983950 OUQZSVFUUGGORV-UHFFFAOYSA-N 223.272 2.582 0 40 BFAB O=C(Nc1cnc2ccccn12)c1ccccc1 28294861 OOZLAEQIBUAWLY-UHFFFAOYSA-N 237.262 2.587 0 40 BFAB Oc1cccc2nc(C(F)(F)F)ccc12 32249778 MKLZSDOGVXVHTQ-UHFFFAOYSA-N 213.158 2.959 0 40 BFAB O=C(Nc1ccncc1)c1cc2ccccc2[nH]1 32726043 LEMDFBBBVSNIBE-UHFFFAOYSA-N 237.262 2.815 0 40 BFAB CCN(C(=O)[C@H]1Cc2ccccc2S1)C1CC1 32760940 NBGLKEUICVWIJW-CYBMUJFWSA-N 247.363 2.714 0 40 BFAB CC[C@@H]1c2ccsc2CCN1C(C)=O 32781315 CDFRBNCHVUZCQI-SNVBAGLBSA-N 209.314 2.604 0 40 BFAB O=C(c1cccnc1)N1CCC[C@@H]2CCCC[C@H]21 32819487 CGAJISHBFSDDEQ-GXTWGEPZSA-N 244.338 2.876 0 40 BFAB FC(F)(F)c1ccc(-n2cccn2)cc1 34408945 JBIQISUWMZRLBB-UHFFFAOYSA-N 212.174 2.891 0 40 BFAB in-vitro CCN[C@H](CC)c1ccc(OC)cc1OC 35546007 DJFYWLOYHFPNJQ-GFCCVEGCSA-N 223.316 2.764 0 40 BFAB O=C(NCCc1cccs1)c1ccsc1 36395188 XBLCUTQDQUXFHP-UHFFFAOYSA-N 237.349 2.782 0 40 BFAB CC[C@H](C)[C@H](N)CN1CC[C@@H]2CCCC[C@@H]2C1 36810176 KKIVHKXLMQQSPC-BYNSBNAKSA-N 238.419 2.872 0 40 BFAB CN[C@@H](c1ccc(F)cc1)c1ccccn1 37467460 MTCJJQRKUPODNM-ZDUSSCGKSA-N 216.259 2.530 0 40 BFAB in-vitro CN[C@@H](c1cccc(F)c1)c1ccccn1 37467472 WGALOMWOZVCCEG-ZDUSSCGKSA-N 216.259 2.530 0 40 BFAB in-vitro Cc1c(C(=O)O)sc2ccc(O)cc12 39249106 VMUJVSWAPCJPAM-UHFFFAOYSA-N 208.238 2.614 0 40 BFAB NCCc1cc(C(F)(F)F)ccc1Cl 44248899 UYPIWTPAPWTKBD-UHFFFAOYSA-N 223.625 2.860 0 40 BFAB CC[C@@H]1CCCN(Cc2nc(C3CC3)no2)C1 48058164 CCMCNCZGQNJIEK-SNVBAGLBSA-N 235.331 2.569 0 40 BFAB CC(C)C(=O)N(C)Cc1ccc(Cl)cc1 49930383 LFFNQWOGWVNGDY-UHFFFAOYSA-N 225.719 2.954 0 40 BFAB Cc1ccc(C2(O)CCN(C(C)C)CC2)cc1C 53303579 AABLWKRHYWZGJV-UHFFFAOYSA-N 247.382 2.995 0 40 BFAB COC(=O)c1cc(F)c(Cl)c(N)c1Cl 62350342 YQPXHTQHEFRTIN-UHFFFAOYSA-N 238.045 2.501 0 40 BFAB OCc1ccc(SCc2ccccc2)nc1 72225404 JRFJSGFZYUQULL-UHFFFAOYSA-N 231.320 2.866 0 40 BFAB CN1CCCC[C@@H]1c1nc2ccccc2[nH]1 75907149 KEACLUWMRTYPNZ-GFCCVEGCSA-N 215.300 2.720 0 40 BFAB CON[C@@H]1CCCOc2cc(C)c(C)cc21 85345058 HDXHSAJFIYTXSP-GFCCVEGCSA-N 221.300 2.668 0 40 BFAB Cc1cccc(/C=C/c2nccc(=O)[nH]2)c1C 89686332 NPSVUEWSTFBHCI-VOTSOKGWSA-N 226.279 2.557 0 40 BFAB CCOC(=O)[C@@H](C(C)C)n1c(C)ccc1C 95951454 FMDVBVIGHJERCC-GFCCVEGCSA-N 223.316 2.865 0 40 BFAB CCCCCn1ccc2ccn(C)c2c1=O 95980751 IYWGXIVIEVCXOA-UHFFFAOYSA-N 218.300 2.530 0 40 BFAB Cc1ccccc1N[C@H]1CCCC[C@@H]1N 115098805 CVXFZOUWYWUPNO-AAEUAGOBSA-N 204.317 2.677 0 40 BFAB FC(F)(F)c1ccccc1[C@@]12CNC[C@@H]1C2 148343039 ZNYIEGHDMZPTGT-KWQFWETISA-N 227.229 2.566 0 40 BFAB CCc1ccc(N[C@@H]2CCC[C@H]2N)cc1 218879957 MBVRPHZLWBZIRL-CHWSQXEVSA-N 204.317 2.541 0 40 BFAB Cc1ccccc1-n1cc(C(=O)O)cc1C 223751239 JISASHKDJIWDOA-UHFFFAOYSA-N 215.252 2.792 0 40 BFAB CC[C@@H](C(=O)O)N(C)c1cc(C)cc(C)c1 224984266 YTVYFFMRQCEANA-LBPRGKRZSA-N 221.300 2.603 0 40 BFAB COc1c(C)cc(NC(=O)C(F)(F)F)cc1C 225588614 RLPWBFAMSSHOGW-UHFFFAOYSA-N 247.216 2.813 0 40 BFAB Cc1cc(Br)nc2[nH]ccc12 238475174 OEMWHCMINFLWLY-UHFFFAOYSA-N 211.062 2.634 0 40 BFAB CC(C)Cn1cc(CNCc2cccs2)cn1 256053169 QIQHHBZIXVIZBJ-UHFFFAOYSA-N 249.383 2.890 0 40 BFAB C[C@H](Oc1nccs1)c1ccncc1 585650912 HSJLNBWIUKCYDX-QMMMGPOBSA-N 206.270 2.678 0 40 BFAB CCCC(=O)OCC(Cl)(Cl)Cl 2512294 WRMIVVLGWCQXNE-UHFFFAOYSA-N 219.495 2.700 0 40 BFAB C[C@H]1CCCCN1[C@H](C(=O)O)c1ccccc1 2545024 PIIALDQBBNGPDU-AAEUAGOBSA-N 233.311 2.687 0 40 BFAB CCn1nccc1-c1nnc(-c2ccccc2)o1 2787559 DUJFOLDNVGZOAY-UHFFFAOYSA-N 240.266 2.620 0 40 BFAB CCOC(=O)c1cc(Cl)cnc1Cl 3883048 WNYVXIWPEGGUKG-UHFFFAOYSA-N 220.055 2.565 0 40 BFAB N=C1N=C2C=CC(Cl)=CN2Cc2ccccc21 3885443 CLURBNVWZIGRJY-UHFFFAOYSA-N 243.697 2.876 0 40 BFAB CCc1ccc(OCCn2cccn2)cc1 4106956 JGNMLWZGRWHBPH-UHFFFAOYSA-N 216.284 2.525 0 40 BFAB COc1ccc(OC)c(CN2CCC(C)CC2)c1 4691064 GYUPLQHOHVZTQH-UHFFFAOYSA-N 249.354 2.936 0 40 BFAB COCCn1c(-c2ccc(C)cc2)n[nH]c1=S 4937103 RJCGGRXLPYZHPT-UHFFFAOYSA-N 249.339 2.563 0 40 BFAB Cc1cc(=O)n2c(nc3cc(C)c(C)cc32)s1 5573000 WZYIRPFFORPYMU-UHFFFAOYSA-N 244.319 2.834 0 40 BFAB CCCC[C@@H](CC)CNc1ncnc2[nH]ncc12 5883148 NRNRKJUINOARAS-SNVBAGLBSA-N 247.346 2.981 0 40 BFAB CCc1nccn1C(=O)c1ccc(Cl)cc1 6160406 OODMKFPHEXAGHJ-UHFFFAOYSA-N 234.686 2.787 0 40 BFAB O=C(Nc1cccnc1Cl)C1CCCC1 6330472 WRPHMJOLTHMYSF-UHFFFAOYSA-N 224.691 2.864 0 40 BFAB Cc1cc(Nc2ccccc2)nc(S)n1 6545985 VCXBAGJCRVZDMH-UHFFFAOYSA-N 217.297 2.817 0 40 BFAB CC(C)(COc1ccc(Cl)cc1)C(=O)O 8730690 LFWHRXIOOBGPJI-UHFFFAOYSA-N 228.675 2.830 0 40 BFAB Cc1ccccc1CCNC(=O)c1ccoc1 8945964 BYDBZILAFVVYID-UHFFFAOYSA-N 229.279 2.561 0 40 BFAB CNCC[C@@H](c1ccc(OC)c(OC)c1)C1CC1 11630151 UPZXGFIQCFCHCO-CYBMUJFWSA-N 249.354 2.807 0 40 BFAB Cn1nc(-c2ccc(Cl)cc2Cl)cc1N 11851210 JFGKYDDRATZVJW-UHFFFAOYSA-N 242.109 2.976 0 40 BFAB O=C1NC(=O)/C(=C/c2cccc(Cl)c2)S1 12408977 DTXPSQFSJWKKSG-YVMONPNESA-N 239.683 2.664 0 40 BFAB Cc1cccc(NC(=O)N[C@H](C)[C@@H]2CCCO2)c1 12977869 LRMKRWOUKFDMSM-YPMHNXCESA-N 248.326 2.684 0 40 BFAB O=C(O)c1cccc(NC(=O)c2ccsc2)c1 13259512 UQBBJWRGQIYSQE-UHFFFAOYSA-N 247.275 2.699 0 40 BFAB COC(=O)c1oc2ccc(F)cc2c1C 16741331 FTNLBZYRWDXDJV-UHFFFAOYSA-N 208.188 2.667 0 40 BFAB COc1ccc([C@H](C(=O)O)C(C)C)cc1OC 19726439 KPNHIRIAXDSTAM-GFCCVEGCSA-N 238.283 2.528 0 40 BFAB Cc1cc(CCC(=O)O)c(C)n1CC(C)C 19949544 ICBUQLQJUSLKPT-UHFFFAOYSA-N 223.316 2.778 0 40 BFAB CC/C=C/C(=O)N1C(=O)OC[C@H]1c1ccccc1 21982674 IIIXNQYVSNHXHJ-KBNZMGLGSA-N 245.278 2.673 0 40 BFAB in-vitro Cc1nc(NC(=O)CSC(C)C)sc1C 24742227 RXCQHKSKTXARLS-UHFFFAOYSA-N 244.385 2.840 0 40 BFAB C[C@@H](Sc1ccccc1Cl)C(=O)N(C)C 32741545 TVMQTVFEEXGLGY-MRVPVSSYSA-N 243.759 2.909 0 40 BFAB Cc1cc(C(=O)N(C)C2CCCC2)c(C)o1 32845576 NUCYSXYLAVWTPC-UHFFFAOYSA-N 221.300 2.911 0 40 BFAB Cc1ccc2nc(C)c(C(=O)N(C)C)cc2c1 32854885 BQQXSZWKZGMVOX-UHFFFAOYSA-N 228.295 2.553 0 40 BFAB CN(Cc1ccco1)C(=O)c1ccc(F)cc1 33028170 VAPLAUQZMWIRCK-UHFFFAOYSA-N 233.242 2.691 0 40 BFAB Nc1ccc2nc(CCc3ccccc3)[nH]c2c1 33295795 DSEGXNNENRPZAP-UHFFFAOYSA-N 237.306 2.930 0 40 BFAB CC(C)(CN)c1c(F)cccc1Cl 33487048 GBPIDNTUXQOION-UHFFFAOYSA-N 201.672 2.715 0 40 BFAB in-vitro Cc1ccc(C(=O)Nc2c(C)n[nH]c2C)cc1C 35134479 OVSVIDAXIDTYLW-UHFFFAOYSA-N 243.310 2.896 0 40 BFAB Cn1cc(C(=O)O)c(-c2coc3ccccc23)n1 38342132 XIUQORIIBPJVPX-UHFFFAOYSA-N 242.234 2.532 0 40 BFAB in-vitro Cc1ccc(N[C@@H]2CCCC[C@H]2N)cc1 38812388 VCMDKOFTBSJQHR-CHWSQXEVSA-N 204.317 2.677 0 40 BFAB COc1ccc([C@H](O)c2ccccc2F)cc1 40244103 AVOGIJRVHPNHGD-AWEZNQCLSA-N 232.254 2.916 0 40 BFAB Nc1cnc(-c2cccc(C(F)(F)F)c2)cn1 44117447 KYZMABUPSVQWFX-UHFFFAOYSA-N 239.200 2.745 0 40 BFAB NC(=O)c1ccccc1NCc1ccccc1F 48416921 CCBSEOZQQGXHAH-UHFFFAOYSA-N 244.269 2.537 0 40 BFAB Nc1cc(Nc2ccccc2F)nc(C2CC2)n1 49467590 GMSLQGAVJUVYSK-UHFFFAOYSA-N 244.273 2.819 0 40 BFAB COc1ccc2ccccc2c1OC(C)=O 66348485 MGGSWVYDMAQMCP-UHFFFAOYSA-N 216.236 2.774 0 40 BFAB Cc1ccc2c(CCNC(=O)C3CC3)c[nH]c2c1 69770613 PNOMTXXOWLXVNS-UHFFFAOYSA-N 242.322 2.545 0 40 BFAB C[C@H](Nc1ncnc2[nH]ncc12)c1cccs1 72238767 KMDFYWOOLMFCCX-ZETCQYMHSA-N 245.311 2.588 0 40 BFAB CC(C)(C)OC(=O)N1C(=O)C[C@@H]1C(C)(C)C 72481898 HKIDIVDBXIMOMQ-MRVPVSSYSA-N 227.304 2.569 0 40 BFAB CN[C@@H]1CCc2[nH]c3ccc(Cl)cc3c2C1 83723069 BLOUPYFIPVFPPH-SECBINFHSA-N 234.730 2.898 0 40 BFAB in-vitro CCCCOc1c(F)cc(C=O)cc1F 84193254 ZMCWTXCZMRLOTD-UHFFFAOYSA-N 214.211 2.956 0 40 BFAB Cc1ccccc1-n1ncc(N)c1C(F)F 85634356 YYZZSLRFUVIKMK-UHFFFAOYSA-N 223.226 2.701 0 40 BFAB Cc1ccc([C@H](OCC(=O)O)C(F)(F)F)cc1 95096401 YOMDQDVFWTVOEX-JTQLQIEISA-N 248.200 2.700 0 40 BFAB N=C(NC(=O)c1ccc(F)cc1)c1ccccc1 95394526 YYYLSFOJVDCOJC-UHFFFAOYSA-N 242.253 2.581 0 40 BFAB C[C@@H]1CCC[C@H]1N(CCO)Cc1ccsc1 95457078 HVQWDAHZWDCHGU-DGCLKSJQSA-N 239.384 2.731 0 40 BFAB O=C(c1cncc(C(F)(F)F)c1)C(F)(F)F 95761304 WYRHPJSLIVMOSR-UHFFFAOYSA-N 243.106 2.845 0 40 BFAB CCS[C@@H]1CCC[C@@H]1NC(=O)C1CCCC1 96450670 IOKQYDOGBPGVPN-NWDGAFQWSA-N 241.400 2.967 0 40 BFAB O=C(O)c1cccc(C(Cl)(Cl)Cl)n1 98175528 BWSMHVPUVJLFTK-UHFFFAOYSA-N 240.473 2.607 0 40 BFAB CCN(CC)C[C@H]1C(=O)[C@]2(C)CC[C@@H]1C2(C)C 100366977 PJDFPHPQOIPEKX-XUJVJEKNSA-N 237.387 2.970 0 40 BFAB CCc1ccc([C@@H](NN)c2ccccc2)cc1 161795768 DBINNAWICFDINE-HNNXBMFYSA-N 226.323 2.802 0 40 BFAB CCCN(c1ccc(F)cc1)[C@@H](CC)C(=O)O 224987314 UXEANIGDOYHNPU-LBPRGKRZSA-N 239.290 2.905 0 40 BFAB Cc1ccc(N2CCN[C@@H]3CCC[C@@H]32)c(C)c1 225716907 OAUPNICRQQYBGA-HIFRSBDPSA-N 230.355 2.634 0 40 BFAB Cc1c(Br)ccc2c1OCCC2=O 238504481 DTQLFEFXWRJERS-UHFFFAOYSA-N 241.084 2.723 0 40 BFAB in-vitro CCCCOCc1ccn(CC(C)C)n1 408715234 HEWBRDDBMJHYGI-UHFFFAOYSA-N 210.321 2.856 0 40 BFAB CCSc1nc(C)cc(C(F)(F)F)n1 409387135 ZUARPRROORZGAE-UHFFFAOYSA-N 222.235 2.916 0 40 BFAB COc1cc(F)cc(-c2cnn(C)c2C)c1 649444516 XMFIQQCSFRGZTB-UHFFFAOYSA-N 220.247 2.543 0 40 BFAB FC1(F)CC[C@@H](CNc2nccs2)C1 846750699 DTFYZUXAYLAKDE-SSDOTTSWSA-N 218.272 2.990 0 40 BFAB NC(=O)c1c(Cl)nsc1-c1ccccc1 67756 RCHYXCIEWHPBJW-UHFFFAOYSA-N 238.699 2.562 0 40 BFAB Cc1ccc(C)c(NC2=NCCS2)c1 98516 QPVRSAMBGOVYJE-UHFFFAOYSA-N 206.314 2.818 0 40 BFAB O=C(NCc1ccccc1)C1[C@@H]2CCCC[C@@H]12 348117 RNYXKMCVLDABRF-CHWSQXEVSA-N 229.323 2.739 0 40 BFAB CC(C)C(=O)c1cn(CC(=O)O)c2ccccc12 560923 LRYCYXQTQVFFNH-UHFFFAOYSA-N 245.278 2.565 0 40 BFAB c1cnn(-c2ccc(-c3cnco3)cc2)c1 1390271 WPNODROMNPJRBI-UHFFFAOYSA-N 211.224 2.527 0 40 BFAB COC(=O)[C@H]1[C@@H](c2ccccc2)C1(Cl)Cl 1715141 BRJBXJNEVALXNT-RKDXNWHRSA-N 245.105 2.747 0 40 BFAB CCOc1ccc(CNC(C)(C)C)cc1 5906453 SQHFLGMJZFBXJA-UHFFFAOYSA-N 207.317 2.973 0 40 BFAB O=C(Cc1c[nH]c2ccccc12)N1CCCCC1 8181099 JWKSQJBPYLEHGZ-UHFFFAOYSA-N 242.322 2.723 0 40 BFAB Cc1ccnc(NC(=O)Nc2cnccc2C)c1 8701059 KYCSGRWNBKDKBD-UHFFFAOYSA-N 242.282 2.737 0 40 BFAB O=C(CC1CCCC1)Nc1cccnc1 8723386 VEDNGKYBVCYEOY-UHFFFAOYSA-N 204.273 2.600 0 40 BFAB Nn1cc(-c2ccccc2)nc1SC(F)F 11535766 OHSHCFGEOXEVAJ-UHFFFAOYSA-N 241.266 2.579 0 40 BFAB CC(C)CCNC(=O)c1ccc(O)c(Cl)c1 12917947 KHURJBCMRMUQNJ-UHFFFAOYSA-N 241.718 2.822 0 40 BFAB C[C@H]1C[C@@H]1C(=O)NCc1nc2ccccc2s1 13012709 XOOHHYBKKRISRR-IUCAKERBSA-N 246.335 2.569 0 40 BFAB Cc1cccc([C@H](C(=O)O)N2CCCCC2)c1 16745291 GQDGDDWLLTZOPX-CYBMUJFWSA-N 233.311 2.607 0 40 BFAB CC(C)c1ccc(/C=C2/CCNC2=O)cc1 17013535 MUZZMBJAVRZPSG-LCYFTJDESA-N 215.296 2.713 0 40 BFAB O=C(NC1CCCCC1)c1ccc2[nH]cnc2c1 17357187 XXPDLKNMDUSYCU-UHFFFAOYSA-N 243.310 2.625 0 40 BFAB CCC[C@H](N)c1ccc2c(c1)OCCCO2 19968037 WHDFOIPLVKGOCO-NSHDSACASA-N 221.300 2.648 0 40 BFAB CCOc1ncccc1NC(=O)c1cccs1 27587188 JEKCBCPATBQZLF-UHFFFAOYSA-N 248.307 2.794 0 40 BFAB CC[C@@H](C)n1cc(Br)cn1 38074776 QBGURVIJWFJGNZ-ZCFIWIBFSA-N 203.083 2.617 0 40 BFAB in-vitro Brc1cccc(C[C@H]2CCCN2)c1 41283176 VAHZVMZMXQBVGK-LLVKDONJSA-N 240.144 2.744 0 40 BFAB C[C@H](O)CNc1ccnc2ccc(Cl)cc12 41474789 XKNOGPNHMPQLJN-QMMMGPOBSA-N 236.702 2.681 0 40 BFAB C[C@@H]1C[C@H]1c1ccc(CCC(=O)NCC2CC2)o1 43752489 WKDRNSSPNDPGLC-ZWNOBZJWSA-N 247.338 2.862 0 40 BFAB FC(F)(F)Oc1ccc(C2OCCO2)cc1 44228025 OOGVLFVNKYYZMK-UHFFFAOYSA-N 234.173 2.631 0 40 BFAB Cc1cc(CN(C)[C@H](C)CC(C)C)no1 45769948 PQNOORAAYDKZDO-SNVBAGLBSA-N 210.321 2.849 0 40 BFAB Fc1cccc(CNc2ncccc2F)c1 54700550 XFDLJEISKFDCKE-UHFFFAOYSA-N 220.222 2.972 0 40 BFAB C[C@H](c1nc(-c2ccccc2)no1)n1ccnc1 71778951 WBUQQHHCNJKQPS-SNVBAGLBSA-N 240.266 2.542 0 40 BFAB C[C@H](O)c1ccc(N2CCCCCC2)nc1 72225468 LXXHUAYHBODHLJ-NSHDSACASA-N 220.316 2.515 0 40 BFAB COc1cccc2[nH]c(C(F)(F)F)nc12 76214000 CFCZQLDVZBJWOA-UHFFFAOYSA-N 216.162 2.590 0 40 BFAB COc1cccc(CS[C@H](C)[C@H](C)O)c1 79057012 GUSBSIVXZHSHHJ-VHSXEESVSA-N 226.341 2.698 0 40 BFAB CC[C@@H](c1ccccc1)N(CC(=O)O)C1CC1 79421341 IJIAXWBURWFWIQ-ZDUSSCGKSA-N 233.311 2.687 0 40 BFAB CC(C)C[C@H](C)NC(=O)OC(C)(C)C 83261191 SXUQFEPQZOVWBN-VIFPVBQESA-N 201.310 2.946 0 40 BFAB Cc1ccsc1[C@H](O)c1ccccn1 84193685 MGSHIGXCWSTTSF-SNVBAGLBSA-N 205.282 2.533 0 40 BFAB CSC[C@@H](C)N(C)Cc1cccc(O)c1 93558351 DXFGEXOAWNOMCH-SNVBAGLBSA-N 225.357 2.576 0 40 BFAB CC(C)n1cc(N[C@@H](C)C2CCOCC2)cn1 97045681 NIVOWPZGCHUMOX-NSHDSACASA-N 237.347 2.691 0 40 BFAB O=C(NCc1nc(C(F)(F)F)n[nH]1)C1CCN(C(=O)c2ccoc2)CC1 97373971 XMLIFJOTYLVMTM-JTQLQIEISA-N 371.319 1.585 0 40 BFAB CCOC[C@H]1C(=O)[C@@]2(C)CC[C@H]1C2(C)C 103210371 SMFWSVXVEULEDG-GIPNMCIBSA-N 210.317 2.664 0 40 BFAB CCCOc1ccccc1-c1n[nH]cc1C=O 106679511 JHQHUACEUSGLPH-UHFFFAOYSA-N 230.267 2.678 0 40 BFAB Cc1oc(-c2ccc(Cl)cc2)nc1CO 140343067 OSXAUIHEBSPJLW-UHFFFAOYSA-N 223.659 2.796 0 40 BFAB Cc1cc([C@H](O)c2ccccc2)ccc1N 224012865 GKVRZRJXGYZUJY-CQSZACIVSA-N 213.280 2.659 0 40 BFAB COc1ccc(N(C)C(=O)c2ccoc2C)cc1 225868737 XJYGAEGPHCZDOX-UHFFFAOYSA-N 245.278 2.873 0 40 BFAB CCN1CCn2c(nc3cc(Cl)ccc32)C1 226251810 BJSBZCBBJXKKCU-UHFFFAOYSA-N 235.718 2.525 0 40 BFAB Cc1cc(N2C[C@H]3CC[C@H]2C3)nc(C2CC2)n1 265386082 SGMCBIOIVRXCIJ-JQWIXIFHSA-N 229.327 2.651 0 40 BFAB CCc1[nH]c2cccc(C)c2c(=O)c1CC 685938038 ANVIPMVEBMJSGX-UHFFFAOYSA-N 215.296 2.961 0 40 BFAB FC(F)Cn1cc(Cl)c(Br)n1 953061405 RTAPTIRJJAQJAQ-UHFFFAOYSA-N 245.454 2.564 0 40 BFAB COC(=O)CCC(=O)c1c(C)[nH]c2ccccc12 142419 WAVOYKSUASGFLN-UHFFFAOYSA-N 245.278 2.612 0 40 BFAB COc1cc(Cl)c(Cl)c(C=O)c1O 569342 MLIICOHGJAOORK-UHFFFAOYSA-N 221.039 2.520 0 40 BFAB C[C@H]1CCCCN1C(=O)c1cccnc1Cl 1480358 FJJONAHGVJUXRU-VIFPVBQESA-N 238.718 2.750 0 40 BFAB CC(C)[C@H](C)[C@H](C(=O)O)C1(O)CCCCC1 1593062 XVDPCTZQBOQBKK-WDEREUQCSA-N 228.332 2.675 0 40 BFAB CC1(C)[C@H]2CC[C@]1(C)[C@H](SC(=N)N)C2 1666998 FZEFQGSAQNAPBA-VAOFZXAKSA-N 212.362 2.828 0 40 BFAB OC1(c2ccc3[nH]ccc3c2)CCSCC1 2526986 FVENSDSNJRKDEL-UHFFFAOYSA-N 233.336 2.883 0 40 BFAB CSc1cccc2c1OC(F)(F)O2 2540415 BCVINZNPFXJXMH-UHFFFAOYSA-N 204.197 2.730 0 40 BFAB O=C(O)C[C@@]1(O)CCCC[C@H]1c1ccccc1 4974383 IYUDSTOJSKIUKS-JSGCOSHPSA-N 234.295 2.550 0 40 BFAB O=C(O)c1ccccc1C(=O)Cc1cccs1 6926840 SKHWZJHYEHVEDU-UHFFFAOYSA-N 246.287 2.872 0 40 BFAB CCCCOc1ccc(CCCN)cc1 8728869 IAKNDYBSDFVJMK-UHFFFAOYSA-N 207.317 2.757 0 40 BFAB Cc1ccc([C@H](CC(=O)O)C2CC2)cc1 11628807 FLZVLJWUNKKFGA-LBPRGKRZSA-N 204.269 2.963 0 40 BFAB Cc1cccc(NC(=O)c2c(C)nn(C)c2C)c1 12951455 JQMXPTDUHLPIRG-UHFFFAOYSA-N 243.310 2.598 0 40 BFAB CCc1cccc2c(C=O)cn([C@@H](C)C(=O)O)c12 13609185 AUODPLHWPBMIRU-VIFPVBQESA-N 245.278 2.662 0 40 BFAB CC(=O)c1ccccc1NC(=O)c1ccncc1 14378998 DUCFDYVKLQHHOW-UHFFFAOYSA-N 240.262 2.537 0 40 BFAB CC(C)(C)c1ccc(CO[C@H]2CCNC2)cc1 14632056 OVAMJZMOLCSGPE-AWEZNQCLSA-N 233.355 2.863 0 40 BFAB CC(=O)N1c2ccc(O)cc2C(C)=CC1(C)C 15423873 OMWYFBQMUBRMAE-UHFFFAOYSA-N 231.295 2.941 0 40 BFAB CCCCC(CCCC)N1CCNCC1 19850309 CZWMOMPWEKTUJW-UHFFFAOYSA-N 212.381 2.641 0 40 BFAB Cc1nc2ccccc2c(C)c1C(=O)O 20268284 IXSPGXNTIAITRL-UHFFFAOYSA-N 201.225 2.550 0 40 BFAB in-vitro COc1cc([C@H](C)N)ccc1OCC(C)C 20283727 FKUDRWRDOHHYGQ-JTQLQIEISA-N 223.316 2.750 0 40 BFAB in-vitro Cc1c(-c2ccccc2Cl)n[nH]c1N 21948213 BSPOJAQHGZEBAS-UHFFFAOYSA-N 207.664 2.621 0 40 BFAB Cc1ccc(C(=O)N[C@@H]2CCC[C@H](C)C2)cn1 32029740 ZDQMHYYPXBUFPZ-GXFFZTMASA-N 232.327 2.699 0 40 BFAB CSCCC(=O)N1CCC[C@H]2CCCC[C@H]21 32819608 KDTVQBRNAXGWIK-VXGBXAGGSA-N 241.400 2.921 0 40 BFAB O=[N+]([O-])/C=C\c1ccc(C(F)(F)F)cc1 33284647 CATQYSSYYQMLHV-WAYWQWQTSA-N 217.146 2.953 0 40 BFAB CN1CCCc2cc(Br)ccc21 33426843 NKEKGQRGDBWFBU-UHFFFAOYSA-N 226.117 2.832 0 40 BFAB CC(C)Oc1ccc(CNc2cnn(C)c2)cc1 37259758 GJHKNHOTRITXIL-UHFFFAOYSA-N 245.326 2.819 0 40 BFAB C[C@H]1CCCC[C@H]1N(C)C(=O)C1CCC1 40497948 MCYBJECHWLBUNT-CMPLNLGQSA-N 209.333 2.824 0 40 BFAB C[C@H](SC(F)(F)F)C(=O)N1CCCCC1 40513817 DYELGXBEEXNYKQ-ZETCQYMHSA-N 241.278 2.640 0 40 BFAB CCN(CC)CCN1CCCc2ccccc21 41259869 PAMWYDXAVULKMI-UHFFFAOYSA-N 232.371 2.781 0 40 BFAB COC(=O)CN(C)[C@@H](C)c1cc2ccccc2o1 44089959 MQTJULVUQDTCDP-JTQLQIEISA-N 247.294 2.599 0 40 BFAB CC(C)[C@H]1CCCN1C(=O)c1cc(Cl)c[nH]1 49122478 BQCWOMXEBAQYPW-LLVKDONJSA-N 240.734 2.929 0 40 BFAB NC[C@H]1C[C@@H]1c1ccc(OC(F)(F)F)cc1 54561823 CHTTXSUANLALNH-PSASIEDQSA-N 231.217 2.647 0 40 BFAB CC[C@@H](COC)N[C@H](C)c1ccccc1 70623611 NUAMNNLHBPJIGZ-YPMHNXCESA-N 207.317 2.762 0 40 BFAB Cc1nc(CSCC(=O)OC(C)C)cs1 71843795 MUZSHTXULSKICA-UHFFFAOYSA-N 245.369 2.636 0 40 BFAB CNc1ncc([C@@H]2CCCCN2C)cc1C 72218994 NWPMIMILVQVCCK-LBPRGKRZSA-N 219.332 2.589 0 40 BFAB Cc1nc(N(C)Cc2ccccc2)ccc1CO 72224430 HZCRAMJCKUCPPY-UHFFFAOYSA-N 242.322 2.519 0 40 BFAB c1cnc([C@@H]2CCCN(C3CCCCC3)C2)cn1 72356835 KRPZWHPSIRBIAS-CYBMUJFWSA-N 245.370 2.989 0 40 BFAB CCSCC[C@@H](C)N(C)C(=O)c1ccc[nH]1 75380620 IWABDFJPIVPJDD-SNVBAGLBSA-N 240.372 2.618 0 40 BFAB C[C@H](NCc1ccccc1)O[C@@H]1CCCCO1 75629615 UBAVGIJCQUFVAA-TZMCWYRMSA-N 235.327 2.665 0 40 BFAB Cc1cc(N[C@H](C)CCO)c2ccccc2n1 77226270 QZDJPFBXBFYFPG-SNVBAGLBSA-N 230.311 2.726 0 40 BFAB COC(=O)c1nc(C)sc1-c1ccccc1 79124184 PWSNIVMZHJOKSE-UHFFFAOYSA-N 233.292 2.905 0 40 BFAB C[C@@H]1CC(NCc2ccncc2)C[C@@H](C)C1 82829213 AYCLKBUTGXMYML-RYUDHWBXSA-N 218.344 2.996 0 40 BFAB CC(C)c1ccn(Cc2ccn(C(C)C)n2)n1 89893493 NQLXJRLKFNTSPQ-UHFFFAOYSA-N 232.331 2.832 0 40 BFAB C=C(NC(C)=O)c1ccc(Br)cc1 90734022 OQFXOFQCLBQHKK-UHFFFAOYSA-N 240.100 2.556 0 40 BFAB FC(F)(F)Sc1ccc(Cl)nn1 91252780 CZEZTOIZZBKTJS-UHFFFAOYSA-N 214.599 2.742 0 40 BFAB CC(=O)N1C[C@@H](C)C[C@@H]1c1cccc(F)c1 95401959 USMVQQYAXDYDFX-TVQRCGJNSA-N 221.275 2.755 0 40 BFAB CC1CCN(Cc2ccc(C=O)cc2F)CC1 95738674 NOTCIFWPAIARTM-UHFFFAOYSA-N 235.302 2.870 0 40 BFAB O=C(OCCCF)c1ccc(-c2cnco2)cc1 96422151 FSRCDLWOAFZXJP-UHFFFAOYSA-N 249.241 2.858 0 40 BFAB CCCc1cc(O)n(-c2ccc(C)cc2)n1 100070144 HKWVMUOXZSGYHF-UHFFFAOYSA-N 216.284 2.839 0 40 BFAB CC(C)CCO[C@H](C)C(=O)N1CCC[C@@H](C)C1 121855999 QRGJPVQBQIJIBQ-CHWSQXEVSA-N 241.375 2.696 0 40 BFAB Cc1cnc([C@@H]2CCCN2C2CCCC2)[nH]1 205687290 FRBSPAANGMERPJ-LBPRGKRZSA-N 219.332 2.798 0 40 BFAB C[C@H](c1ccccc1)n1cccc1CN 223690699 ZIQJLMBUPOBBAJ-LLVKDONJSA-N 200.285 2.556 0 40 BFAB CC(C)n1ncc2c1N[C@H]1CCC[C@H]1C2 225813549 IXRCEJNAXWHWRH-ONGXEEELSA-N 205.305 2.601 0 40 BFAB Oc1cccc(CNCc2ccc(F)s2)c1 256054068 UUVRRKHEYDDBNI-UHFFFAOYSA-N 237.299 2.883 0 40 BFAB CC(C)(C)c1noc(-c2cnn(C3CC3)c2)n1 528158475 XZBFALCNRKNQBW-UHFFFAOYSA-N 232.287 2.566 0 40 BFAB Cc1cc(NC(=O)C2CC2)ccc1-n1ccnc1 1542875544 LAXYXWYBQVTCKX-UHFFFAOYSA-N 241.294 2.529 0 40 BFAB Cc1ncccc1OCc1cn2ccccc2n1 1888897553 UUUGLKJZQWPNOY-UHFFFAOYSA-N 239.278 2.617 0 40 BFAB Cc1ccc(-c2nn3c(C)nnc3s2)c(C)c1 385095 FFNGGGWJIAEUIC-UHFFFAOYSA-N 244.323 2.778 0 40 BFAB CCOC(=O)CC[C@@]1(C)OCC(C)(C)[C@H](C)O1 1667405 BXJLGLKPKQSHGT-GWCFXTLKSA-N 244.331 2.507 0 40 BFAB CC(C)(Br)C(=O)c1ccco1 1872872 PAVMHPGRJHSFCL-UHFFFAOYSA-N 217.062 2.636 0 40 BFAB CC(C)(C(=O)NCc1ccco1)c1ccccc1 3268663 LDDHGBAKEXNUCA-UHFFFAOYSA-N 243.306 2.874 0 40 BFAB NCC[C@H]1CCc2[nH]c3ccccc3c2C1 4982818 DNYCHVWBLYAONW-SNVBAGLBSA-N 214.312 2.622 0 40 BFAB C[C@@H]1CCC[C@H]([C@@H]2CCCCCC[C@@H]2O)N1 5463281 GATSTKOBZRQEDQ-RQJABVFESA-N 225.376 2.848 0 40 BFAB CC1(C)[C@H]2CC[C@]1(C)c1nc(N)sc12 5791412 CEOWRADDCLFLQS-UPONEAKYSA-N 208.330 2.900 0 40 BFAB CSc1nc(-c2ccc(C)cc2)n[nH]1 5868113 AOJOSFQNWOYHKX-UHFFFAOYSA-N 205.286 2.502 0 40 BFAB C[C@@H]1CCC[C@@H](NC(=O)c2ccccn2)[C@@H]1C 6435772 CWMQOLYRWYJRRD-IJLUTSLNSA-N 232.327 2.636 0 40 BFAB Cc1ccc(OC[C@H]2CCCCO2)c(N)c1 14629579 FETKKQIWHQYOCB-LLVKDONJSA-N 221.300 2.525 0 40 BFAB C[C@@H](CC(=O)O)CC(=O)c1cccc(F)c1 15441752 XCSHSEIDKXYFON-MRVPVSSYSA-N 224.231 2.509 0 40 BFAB CCOc1ncnc2c1[nH]c1ccc(OC)cc12 18122815 UUUNMBJFDSAVEL-UHFFFAOYSA-N 243.266 2.518 0 40 BFAB CC(C)c1noc(-c2ccnc(Cl)c2)n1 22120483 SBGXCOJNIXTIHE-UHFFFAOYSA-N 223.663 2.908 0 40 BFAB in-vitro Cc1cc(C(=O)N[C@@H](C)c2ccccc2F)on1 23544708 CDAZPJKFPYFINX-VIFPVBQESA-N 248.257 2.613 0 40 BFAB CC[C@@H](CCC(=O)Nc1ccc(C)cc1)C(=O)O 26808022 PKVZFPNQBWGYJX-NSHDSACASA-N 249.310 2.825 0 40 BFAB NC(=O)NCc1cccc(Oc2ccccc2)c1 32933424 HRZGBKPQMAEQHH-UHFFFAOYSA-N 242.278 2.647 0 40 BFAB C=CC(=O)Nc1cc(Br)ccc1F 36335005 QSRFSNVLPVVNME-UHFFFAOYSA-N 244.063 2.713 0 40 BFAB Cc1n[nH]cc1CN[C@H](C)c1ccc(F)cc1 36901561 QUDPFSVGUYHNBN-SECBINFHSA-N 233.290 2.708 0 40 BFAB C[C@H](CN)c1ccc(C(F)(F)F)cc1 37245904 ITHDKJGGQHUNHT-SSDOTTSWSA-N 203.207 2.768 0 40 BFAB C[C@@H]1CCCC[C@H]1NC(=O)c1ccnc(F)c1 41038711 XAUJYEPLUXYYNZ-MWLCHTKSSA-N 236.290 2.529 0 40 BFAB COc1ccccc1COCC[C@@H]1CCCNC1 42771843 CJZWOPHXJYFVIG-ZDUSSCGKSA-N 249.354 2.602 0 40 BFAB c1ccc(SCC2CCNCC2)cc1 43498060 CMSVRAQQKBTLRF-UHFFFAOYSA-N 207.342 2.778 0 40 BFAB CN[C@H](COC)c1cccc(C(F)(F)F)c1 44044022 MLYOKIOAFOIIFT-SNVBAGLBSA-N 233.233 2.612 0 40 BFAB in-vitro Cc1ccc(C(=O)c2cccc(F)c2)cn1 45029061 FIFJUOVHROPAMK-UHFFFAOYSA-N 215.227 2.760 0 40 BFAB CCc1ncc(C(=O)Nc2ccccc2)s1 49167749 SFWDQOANRGHXEH-UHFFFAOYSA-N 232.308 2.958 0 40 BFAB CN(Cc1ccccn1)c1nc2ccccc2o1 49980104 RIEUFZDKZBCNRQ-UHFFFAOYSA-N 239.278 2.859 0 40 BFAB Cc1ccc(F)cc1NC(=O)c1cscn1 59894804 QIDKLLNYFVDLNL-UHFFFAOYSA-N 236.271 2.843 0 40 BFAB Cc1noc(C)c1CNC(=O)Nc1ccccc1 60063843 CQILNDRPBKRJCU-UHFFFAOYSA-N 245.282 2.613 0 40 BFAB NCc1nc2cc(Cl)cc(Cl)c2o1 62526423 PYKXHIALRDSNTC-UHFFFAOYSA-N 217.055 2.593 0 40 BFAB Cn1cc([C@H]2CCCN2CC2CCCC2)cn1 69698004 DYRMMDQGUURNPD-CQSZACIVSA-N 233.359 2.747 0 40 BFAB C1=CC[C@H]2CN(c3ccc4cc[nH]c4n3)C[C@H]2C1 72163257 XEQPBXHIMZBRBF-BETUJISGSA-N 239.322 2.965 0 40 BFAB CCCn1cc(NC(=O)/C=C/c2ccco2)cn1 80728596 IMOFJGWJTHJBNE-AATRIKPKSA-N 245.282 2.538 0 40 BFAB COCCC(=O)Nc1cccc(C)c1Cl 96443960 WPPYWYRTLZHJSN-UHFFFAOYSA-N 227.691 2.623 0 40 BFAB COC(=O)/C=C\c1cccc(OC(F)(F)F)c1 108243240 YBYIHPMCNDRQTJ-WAYWQWQTSA-N 246.184 2.771 0 40 BFAB C[C@H]1CNc2nn(C3CCCCC3)c(O)c2C1 110751824 IVWDTENUYAQZOI-SECBINFHSA-N 235.331 2.698 0 40 BFAB Cc1ccc([C@H](C)N[C@H](C)c2nnc(C)o2)o1 182569677 CKUMTQYWJNBSHV-DTWKUNHWSA-N 235.287 2.691 0 40 BFAB Cc1ccc(-n2nc(N)c3ccccc32)cc1 205177420 TZSZIIRZDQLKRP-UHFFFAOYSA-N 223.279 2.916 0 40 BFAB Cc1cc(F)cc(C2(C(=O)O)CCC2)c1 215421777 NELHTZSXAAUBNY-UHFFFAOYSA-N 208.232 2.640 0 40 BFAB CC[C@H](C)N1CCN(C[C@@H]2C[C@@H]3C=C[C@@H]2C3)CC1 222216549 GZCRAGOTMUZNSI-JJXSEGSLSA-N 248.414 2.615 0 40 BFAB CCCO[C@@H](Cc1ccc(C)c(C)c1)C(=O)O 225035370 KOAWUXSBFRMRSK-ZDUSSCGKSA-N 236.311 2.726 0 40 BFAB CN(C)Cc1cccc(Br)c1F 238332169 NJPWMCURBKOFMF-UHFFFAOYSA-N 232.096 2.650 0 40 BFAB O=C(O)c1cncc(Cc2ccccc2F)c1 257198030 QSLIFFFRIOJZOC-UHFFFAOYSA-N 231.226 2.510 0 40 BFAB CC(=O)Oc1ccc(C(=O)CC(C)C)cc1 309273404 DWICOGNQPXGZTL-UHFFFAOYSA-N 220.268 2.841 0 40 BFAB FC1(F)[C@H](C2CC2)C12C[C@@H]1CC[C@H](C2)N1 719047638 LKMSTHYMPPIPTB-GZBOUJLJSA-N 213.271 2.562 0 40 BFAB COC(=O)CCc1c[nH]c2cc(Cl)ccc12 1857793207 JXBKMCBZAXWSQR-UHFFFAOYSA-N 237.686 2.927 0 40 BFAB CCCCNC(C)(C)[C@H](O)c1ccccc1 1608710 SITFELSBPZELDY-CYBMUJFWSA-N 221.344 2.888 0 40 BFAB CCN(CC)C[C@@H](O)CCCC(C)C 1684135 XYGPUTCVGQQJOU-LBPRGKRZSA-N 201.354 2.515 0 40 BFAB c1ccc2c(c1)-c1ccccc1C2C1=NCCN1 1699471 OIYSHKWYPGENDH-UHFFFAOYSA-N 234.302 2.801 0 40 BFAB CC(C)OCCCNc1ncnc2ccccc12 1912262 SWRNKUHSPKIGAP-UHFFFAOYSA-N 245.326 2.857 0 40 BFAB O=C(CC(F)(F)C(F)F)c1cccnc1 2676563 DGQHVRAUTBGJRC-UHFFFAOYSA-N 221.153 2.555 0 40 BFAB CNC(=O)c1ccccc1OCc1ccccc1 5171866 OWMCWNPCEDAGPX-UHFFFAOYSA-N 241.290 2.625 0 40 BFAB O=C(O)c1oc2cccc3c2c1CCC3 5813049 VRXQTOMNOCWCLP-UHFFFAOYSA-N 202.209 2.620 0 40 BFAB O=Cc1cnc(-c2cccc(Cl)c2)nc1 8730987 IPUCTROOLKJTMB-UHFFFAOYSA-N 218.643 2.610 0 40 BFAB N[C@@H](COc1ccccc1)c1ccccc1 13529794 VPMNXCAPTJKWHO-AWEZNQCLSA-N 213.280 2.765 0 40 BFAB in-vitro Cc1sc(N)nc1-c1ccc(F)cc1F 14102506 GFGIUHFSINVLBV-UHFFFAOYSA-N 226.251 2.979 0 40 BFAB Cc1cccc(NC(=O)Nc2cnccn2)c1C 15933759 AIGFIFAQCKBGFS-UHFFFAOYSA-N 242.282 2.737 0 40 BFAB O=C(NC1CCCC1)c1ccc(O)c(Cl)c1 19837242 AVGNXISCNDHXKB-UHFFFAOYSA-N 239.702 2.718 0 40 BFAB CCCNC(=O)[C@H](CC)Oc1cccc(C)c1 20039811 BUSSHIJQWXHUAG-ZDUSSCGKSA-N 235.327 2.679 0 40 BFAB Nc1ccccc1NC(=O)c1cccc(F)c1 20343186 GULUBSOIVASWOS-UHFFFAOYSA-N 230.242 2.660 0 40 BFAB Cc1ccc(NC(=O)c2cncs2)cc1 22073158 VCKQZTWJBZVRNV-UHFFFAOYSA-N 218.281 2.704 0 40 BFAB CCCOc1cccc2sc(N)nc12 26513800 FSLHSKIKASSMOB-UHFFFAOYSA-N 208.286 2.667 0 40 BFAB Cc1cccc(C(=O)Nc2c(C)nn(C)c2C)c1 28573205 CPZPDXPKTRZWLR-UHFFFAOYSA-N 243.310 2.598 0 40 BFAB CCCNCc1cc(OC)ccc1OCC 34655971 RFQWSELDEAKDIA-UHFFFAOYSA-N 223.316 2.594 0 40 BFAB Fc1ccc(OCCC2CCNCC2)cc1F 36750001 KFZMQXQKAIZYKP-UHFFFAOYSA-N 241.281 2.733 0 40 BFAB N[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl 37381226 QFCFGKISIRTOOJ-HTRCEHHLSA-N 202.084 2.808 0 40 BFAB C=CC(=O)N1CCC[C@@H]1c1cccc(OC)c1 37829552 AZRYKLSURDMFOQ-CYBMUJFWSA-N 231.295 2.545 0 40 BFAB Clc1ccc(C2=NCCCN2)cc1Cl 41104951 YXAAHEYAYFNBOP-UHFFFAOYSA-N 229.110 2.733 0 40 BFAB FC(F)Oc1cc(Cl)nc(Cl)c1 47203210 OFGXMNUWJOUBBI-UHFFFAOYSA-N 213.998 2.990 0 40 BFAB CON(C)C(=O)c1ccccc1-c1ccccc1 47219224 PWTIUSCKFCSGPO-UHFFFAOYSA-N 241.290 2.987 0 40 BFAB Cc1cccc(NC(=O)NCc2ccoc2)c1 47688198 KHZHTOWZPSCJOS-UHFFFAOYSA-N 230.267 2.910 0 40 BFAB C[C@@H]1C[C@@H]1c1ccc(CN(CCCO)C2CC2)o1 51183313 BZHQNDUQWFNPDE-RISCZKNCSA-N 249.354 2.750 0 40 BFAB CNC[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F 54588433 WODRRYTVGGJGFF-WPRPVWTQSA-N 245.244 2.908 0 40 BFAB CCCNC/C=C/c1ccc(OC)cc1 67801355 XUIOQWSQOVVSLF-SNAWJCMRSA-N 205.301 2.708 0 40 BFAB CNc1cc(C)c([C@@H]2CCCN2C(C)C)cn1 72219039 UCVWMICISYHAPJ-ZDUSSCGKSA-N 233.359 2.977 0 40 BFAB NCc1nc(-c2c(Cl)cccc2Cl)no1 73640727 LOLLDRRZWNEEHH-UHFFFAOYSA-N 244.081 2.502 0 40 BFAB C[C@@H](N)c1ccc(Br)c(F)c1 83592987 LISQGUAIGJDDOK-RXMQYKEDSA-N 218.069 2.608 0 40 BFAB CCc1nc([C@H](C)NC(=O)C(C)C)cs1 83830245 XJMKLRHPPSSFAS-QMMMGPOBSA-N 226.345 2.539 0 40 BFAB CC[C@@H](C)NCc1cccc(C)c1OC 95094809 LKLCLFFVEJZAIN-LLVKDONJSA-N 207.317 2.892 0 40 BFAB Cc1ccc(F)c(CNc2cnccc2CO)c1 95978131 BEEMLQHUIDESRN-UHFFFAOYSA-N 246.285 2.634 0 40 BFAB CC(C)(C)c1nccc2oc(C=O)cc12 96509847 JLVRFNJWRYDGSC-UHFFFAOYSA-N 203.241 2.938 0 40 BFAB CC[C@@H](NC[C@H]1C[C@H]2C=C[C@H]1C2)c1noc(C)n1 101544053 WCXBRVVYVPMOLO-WUHRBBMRSA-N 247.342 2.631 0 40 BFAB COC(=O)C[C@@H]1COc2ccc3ccccc3c21 135772880 LWSWQCOEEGLFNJ-LLVKDONJSA-N 242.274 2.879 0 40 BFAB FC(F)(F)COc1ccc2ocnc2c1 169804828 IDQGEEGHHRGXRE-UHFFFAOYSA-N 217.146 2.769 0 40 BFAB COC(=O)c1cc(C)cc2ccccc12 197667142 DUJQGCBPYACLBK-UHFFFAOYSA-N 200.237 2.935 0 40 BFAB Cc1cccc(C(=O)Oc2cccc(CO)c2)c1 216943368 AZMGTXUCOBSKSC-UHFFFAOYSA-N 242.274 2.707 0 40 BFAB CCc1cnn(-c2ccccc2Cl)c1N 221605045 IYLBTTDPECYUII-UHFFFAOYSA-N 221.691 2.670 0 40 BFAB CCN1CCCCC[C@@H]1[C@H]1CCCC1=O 242722855 XXBZXXWRTLZNRL-VXGBXAGGSA-N 209.333 2.620 0 40 BFAB Cc1ccc(CC(=O)N2C3CCC2CC3)cc1 514939666 YFVRHAJKDOKLFK-UHFFFAOYSA-N 229.323 2.691 0 40 BFAB C[C@]1(O)CC[C@@H]1N[C@H]1CCCc2ccccc21 1775996236 GSSGGVDOGRTZBM-KKUMJFAQSA-N 231.339 2.567 0 40 BFAB CCOc1cc(=O)oc2ccc(Cl)cc12 57801 ZZAJTJPBNSSWHI-UHFFFAOYSA-N 224.643 2.845 0 40 BFAB biogenic FC(F)(F)c1cnc(-n2ccnc2)c(Cl)c1 1401433 HPSWODAGYYMHDK-UHFFFAOYSA-N 247.607 2.940 0 40 BFAB COc1ccc([C@@H](CC(=O)O)C(C)C)cc1 4043927 IJYNCBAHVKZWIQ-LBPRGKRZSA-N 222.284 2.910 0 40 BFAB biogenic O=C(O)c1ccc(-n2cccc2)cc1Cl 4413347 WXGHISMCEZMVAG-UHFFFAOYSA-N 221.643 2.829 0 40 BFAB CCCSc1ccc2nc(N)[nH]c2c1 5114714 RKMOQLOKJZARIG-UHFFFAOYSA-N 207.302 2.647 0 40 BFAB in-vitro CCCc1n[nH]c(N)c1-c1ccccc1 6605357 LBMJNLWKZONOKF-UHFFFAOYSA-N 201.273 2.611 0 40 BFAB CC1(C)CC(=O)c2c(ncc3c2CCCC3=O)C1 8560240 JBYHCPJEIOPSCN-UHFFFAOYSA-N 243.306 2.756 0 40 BFAB Cc1csc(NC(=O)C[C@H]2C=CCC2)n1 10554952 AYNLGJUYYGNMHR-VIFPVBQESA-N 222.313 2.746 0 40 BFAB O=C(CCc1ccccc1)NCc1ccsc1 13698114 KMAIXMMHDBRTBQ-UHFFFAOYSA-N 245.347 2.997 0 40 BFAB Cc1ccnc(NC(=O)Nc2ccc(F)cc2)n1 16973161 OPGBXSDNJILBBO-UHFFFAOYSA-N 246.245 2.568 0 40 BFAB Cc1ccc(C)c2nc3c(cc12)CN(C)CCO3 19134700 PSEYQYIMOPHHOL-UHFFFAOYSA-N 242.322 2.676 0 40 BFAB CCc1ccccc1O[C@H](C)C(=O)N[C@H](C)CC 20459094 LDSJFHDLKIJSMH-VXGBXAGGSA-N 249.354 2.931 0 40 BFAB C[C@H](N)[C@H]1C[C@@H]1c1c(F)cccc1Cl 20594445 CZKQSLLXAYNKFM-RNJXMRFFSA-N 213.683 2.930 0 40 BFAB C[C@@H]1C[C@@H]1C(=O)NCc1ccc(Cl)s1 25521831 RTIWXPPOCRZDDI-SVRRBLITSA-N 229.732 2.674 0 40 BFAB C[C@H](NC(=O)[C@@H]1CC=CCC1)c1ccccn1 28780641 FCBQPQAKQOKQMW-NWDGAFQWSA-N 230.311 2.615 0 40 BFAB Cn1cc(Br)c2ccccc21 33426773 SAYZMFSSIBFGNW-UHFFFAOYSA-N 210.074 2.941 0 40 BFAB Nc1ccc2c(c1)CN(Cc1ccccc1)CC2 33466496 NYLGUAQJVCOUNP-UHFFFAOYSA-N 238.334 2.827 0 40 BFAB Fc1cccc(Cl)c1Cc1nnc(S)o1 34964274 RHITZEQDAPOBMB-UHFFFAOYSA-N 244.678 2.742 0 40 BFAB C[C@H]1CCO[C@H](/C=C/c2ccccc2)O1 38192905 LSEPTNAIKXLPFK-DDOQPMFUSA-N 204.269 2.851 0 40 BFAB C[C@@H](Cc1cccs1)NC(=O)C1CCCC1 38565712 ROGAGEIDSAECAI-JTQLQIEISA-N 237.368 2.986 0 40 BFAB CCN(Cc1ccco1)Cc1c(C)noc1C 42148282 SOACPCWCIOVXAX-UHFFFAOYSA-N 234.299 2.907 0 40 BFAB CO[C@@H](CNC(=O)C(C)(C)C)c1ccccc1 42751298 YISUVOVYNVFLBY-LBPRGKRZSA-N 235.327 2.536 0 40 BFAB CCCCc1nc(C)c(C(=O)NC(C)C)s1 42791412 PDGQNJYLZZKAHD-UHFFFAOYSA-N 240.372 2.932 0 40 BFAB C1CCCN(Cc2nc(C3CC3)no2)CCC1 44711255 IBIBZWYZXPNNJQ-UHFFFAOYSA-N 235.331 2.713 0 40 BFAB Clc1ccccc1-c1noc([C@H]2CCCN2)n1 45893157 GLWWWROARWYMLW-SNVBAGLBSA-N 249.701 2.815 0 40 BFAB Cc1csc(Cn2c(C)cc(C=O)c2C)n1 49533868 VIQPCTSWZKKRMP-UHFFFAOYSA-N 234.324 2.731 0 40 BFAB CCN(CC)C(=O)c1ccc2oc(C)nc2c1 49677041 WSZPMYQYEOZSGV-UHFFFAOYSA-N 232.283 2.618 0 40 BFAB CCN(CC)c1cccc(OC[C@H]2CCNC2)c1 66341692 YZBGNBIEIZISBY-ZDUSSCGKSA-N 248.370 2.521 0 40 BFAB Cc1cnn([C@@H](C)[C@H](C)NCc2ccco2)c1 69565206 ZVCJLBKAMKUECD-RYUDHWBXSA-N 233.315 2.524 0 40 BFAB CCOc1ccc(N[C@H](C)c2nc(C)no2)cc1 69877987 BJULZTXXJGOPQO-SECBINFHSA-N 247.298 2.950 0 40 BFAB Cc1cc2[nH]nnc2c(Br)c1Cl 70461521 PDOZIOJHEJASOP-UHFFFAOYSA-N 246.495 2.682 0 40 BFAB CC(C)COc1nsnc1-c1cccc(N)c1 72226417 ODDBCCNYKLGBSL-UHFFFAOYSA-N 249.339 2.822 0 40 BFAB CNC(=O)N1C[C@H]2CCCC[C@@]21c1ccccc1 92760124 RKLNBHPNGJEPTR-UKRRQHHQSA-N 244.338 2.727 0 40 BFAB Cn1cccc1CN(CC1CC1)CC1CC1 93480182 QEURXOURQFKIPQ-UHFFFAOYSA-N 218.344 2.647 0 40 BFAB Cc1nc(Sc2ncc(Cl)cn2)oc1C 95406774 NTXFJWVXGBIZJP-UHFFFAOYSA-N 241.703 2.886 0 40 BFAB ClCc1nc(-c2ccncc2Cl)no1 96032029 GGMVRJHKPGESDF-UHFFFAOYSA-N 230.054 2.524 0 40 BFAB O=c1scnn1Cc1cccc2ccccc12 97165107 NUOAGZIGSJEBBU-UHFFFAOYSA-N 242.303 2.506 0 40 BFAB Cc1c(O)cc2c(c1C)O[C@](C)(CO)C[C@H]2C 98175224 VOPROHVTWCUDFE-CLAHSXSESA-N 236.311 2.646 0 40 BFAB C[S@@](=N)(=O)c1cccc2ccccc12 100508318 NUNLJANZQLWRMF-CQSZACIVSA-N 205.282 2.875 0 40 BFAB O[C@@H]1c2ccccc2[C@@H](O)[C@H]2[C@@H]1[C@H]1C=C[C@H]2CC1 100516561 CXKDRWRWLKDGTN-XRHQITBWSA-N 242.318 2.595 0 40 BFAB O=C(NC(C1CC1)C1CC1)[C@@H]1C[C@H]2C=C[C@H]1C2 102191058 WDWDRSLMGMQKBD-TVYUQYBPSA-N 231.339 2.503 0 40 BFAB CN(C)c1c(F)cccc1Br 169797884 WYOFZTRKLKREAG-UHFFFAOYSA-N 218.069 2.654 0 40 BFAB CC1(C)CC(=O)[C@@H]2C(C3CCCC3)=NN[C@H]2C1 228927472 IUNMDJKZDAYWDP-CMPLNLGQSA-N 234.343 2.510 0 40 BFAB C[C@](O)(c1ccc(Cl)nc1)C(F)(F)F 256050499 FGJGOMWKDXZHOG-ZETCQYMHSA-N 225.597 2.505 0 40 BFAB CCOc1ccc(-c2cc[nH]c2C(=O)OC)cc1 259698649 IVWSQHCYEPFEIP-UHFFFAOYSA-N 245.278 2.867 0 40 BFAB CCOC(=O)c1cc(O)c(C)c(Cl)c1 261148841 RBDZIDDPBMNFBM-UHFFFAOYSA-N 214.648 2.531 0 40 BFAB COc1cc(F)ccc1C(=O)C1CCC1 382690049 HXCRGKFUJCHPJV-UHFFFAOYSA-N 208.232 2.817 0 40 BFAB CC(C)(C)OC(=O)n1cc(C(F)F)cn1 1525639655 DZVJRCYRTLBXER-UHFFFAOYSA-N 218.203 2.604 0 40 BFAB Cc1cc(ON)ccc1OCc1ccccc1 2362797526 ROJXCSHNYBYJFQ-UHFFFAOYSA-N 229.279 2.827 0 40 BFAB O=c1c(O)c(-c2ccco2)oc2ccccc12 115144 HBOLZGZNJWPFQR-UHFFFAOYSA-N 228.203 2.759 0 40 BFAB COC(=O)c1c(-c2ccccc2)c[nH]c1C 493865 OCIWPTHNKMNUIK-UHFFFAOYSA-N 215.252 2.777 0 40 BFAB Clc1cccc[n+]1CCc1ccccc1 1668334 GKEXMHBBVJQOLH-UHFFFAOYSA-N 218.707 2.870 0 40 BFAB CC1=CC=C[C@]2(C)Cc3ccccc3C(=O)N12 3847863 GDQGOVZWJGEURB-OAHLLOKOSA-N 225.291 2.917 0 40 BFAB biogenic O=C(O)C1(Nc2ccccc2)CCCCC1 4244917 OTNSACVQMVZOHD-UHFFFAOYSA-N 219.284 2.886 0 40 BFAB O=[S@@](C[C@@H](O)c1ccccc1)c1ccccc1 5104733 HDGGJVKMRKWGGQ-RHSMWYFYSA-N 246.331 2.528 0 40 BFAB O=C(O)C1=Cc2cc(Cl)cc(Cl)c2OC1 5753675 UYWUAFUTOZDQED-UHFFFAOYSA-N 245.061 2.854 0 40 BFAB CCONC(=O)Cc1coc2c(C)c(C)ccc12 8993978 NZJUSZSYMCZJGL-UHFFFAOYSA-N 247.294 2.660 0 40 BFAB Cc1cs/c(=N\c2ccccc2)n1C 13302514 DHCNMNPNNXRRBJ-QXMHVHEDSA-N 204.298 2.627 0 40 BFAB Cc1cncc2c(Br)c[nH]c12 14986184 WKMJXOXACYHNEA-UHFFFAOYSA-N 211.062 2.634 0 40 BFAB in-vitro c1cc(CNCc2ccc3[nH]ccc3c2)ccn1 15424219 GGZDJYPDDCVRAB-UHFFFAOYSA-N 237.306 2.853 0 40 BFAB CC(C)(C)C(=O)Nc1ccc2nsnc2c1 17083476 FZOIGXCPKSWTSJ-UHFFFAOYSA-N 235.312 2.676 0 40 BFAB C[C@H]1CCCN([C@@H](CN)c2ccccc2F)C1 19400345 VPHYZNNRJQDDPC-FZMZJTMJSA-N 236.334 2.557 0 40 BFAB COCCN[C@@H](C)c1ccc(C)c(C)c1 19881721 FRQVLSAZNGJQJE-LBPRGKRZSA-N 207.317 2.600 0 40 BFAB CC(C)c1ccc(NCCC(=O)O)cc1 20133714 PLDCSFTVBLNNCP-UHFFFAOYSA-N 207.273 2.697 0 40 BFAB O=C(NC1CCCCCC1)c1cc(C2CC2)[nH]n1 20607637 RQRBRHULRBMXOS-UHFFFAOYSA-N 247.342 2.740 0 40 BFAB C/C=C/C=C/C(=O)Nc1ccc2c(c1)CCO2 27126394 ZLWRRSATIKYIFP-MQQKCMAXSA-N 229.279 2.692 0 40 BFAB CCc1sc(C(=O)N2CCCC2)cc1C 32667769 ZGGFSZKEHFGCCS-UHFFFAOYSA-N 223.341 2.855 0 40 BFAB C[C@@H]1CCCN(C(=O)CCc2ccsc2)C1 32721991 SHLHVVCAIWGMSZ-LLVKDONJSA-N 237.368 2.939 0 40 BFAB CN[C@H]1CCc2[nH]c3c(F)cc(F)cc3c2C1 39214044 CAZYUGCBYNFXRX-QMMMGPOBSA-N 236.265 2.523 0 40 BFAB CCCc1ccc(O[C@@H]2CCCNC2)c(OC)c1 42782934 WUTLWXKBKJBDTR-CYBMUJFWSA-N 249.354 2.779 0 40 BFAB C[C@@H]1C[C@@H]1C(=O)NCCc1cccc(Cl)c1 45601098 REHCTCPTSJTQMA-SKDRFNHKSA-N 237.730 2.655 0 40 BFAB CN(C)C(=O)CCCOc1ccccc1Cl 50559198 QGCSSOSMFUAQKG-UHFFFAOYSA-N 241.718 2.587 0 40 BFAB CCNc1nc(-c2cccnc2)nc(C)c1C 50864222 KOIGLTIAIWJHPW-UHFFFAOYSA-N 228.299 2.587 0 40 BFAB CCCCCCNc1ncnc2[nH]ccc12 66323412 UZQHIDKPCIGMBM-UHFFFAOYSA-N 218.304 2.950 0 40 BFAB CC(C)(CN)c1cccc(OC(F)F)c1 72206792 HGHRVOYFEGHXDK-UHFFFAOYSA-N 215.243 2.524 0 40 BFAB COc1ccc(OC)c([C@@H]2CCCCN2C)c1 72221880 JRQCNXGGQADSMO-ZDUSSCGKSA-N 235.327 2.861 0 40 BFAB COc1cccc(N(C)C(=O)c2ccco2)c1 81567202 ILSICAULEWMOTM-UHFFFAOYSA-N 231.251 2.565 0 40 BFAB Cc1ccc([C@@H](O)c2cc(F)cc(F)c2)o1 82675791 YKASIZBXVLBBGG-LBPRGKRZSA-N 224.206 2.948 0 40 BFAB NC1(Cc2nc3ccccc3[nH]2)CCCCC1 84143271 BECHXKVTPZCYHM-UHFFFAOYSA-N 229.327 2.767 0 40 BFAB COc1ccc(F)c(NC(=O)CC(C)C)c1 88210687 UNFBGAZHDBVQAN-UHFFFAOYSA-N 225.263 2.819 0 40 BFAB FC1(F)Oc2ccccc2O[C@]1(F)Cl 91252141 HISYYZRZIJMXSF-ZETCQYMHSA-N 224.565 2.913 0 40 BFAB Cc1cccnc1CN(C)[C@H](C)C1CC1 93158297 AKPUCYXNGWFWSX-LLVKDONJSA-N 204.317 2.620 0 40 BFAB CC[C@H](SCC(=O)N(C)C)c1ccccc1 95411516 LZVIBCDSUFZTRP-LBPRGKRZSA-N 237.368 2.959 0 40 BFAB COC[C@H](C)Nc1cccc(N(C)C(C)C)c1 97095636 SBNGETKQOVGHSH-LBPRGKRZSA-N 236.359 2.978 0 40 BFAB CCOC(=O)[C@@H]1[C@H]2C[C@@H]3C[C@H](C3(C)C)[C@@]21C 104051755 GYYMNRWFIHTKHO-XXUISHGZSA-N 222.328 2.868 0 40 BFAB CCC(=O)N1CC[C@H](CC2CCCC2)C1 225448134 PKDAKMZTYGAQOA-GFCCVEGCSA-N 209.333 2.825 0 40 BFAB CCCc1ccc(CNC2CC2)n1CC 226020962 VMFUBJOGAQZJBI-UHFFFAOYSA-N 206.333 2.713 0 40 BFAB COc1ccc([C@H](C)N[C@@H]2CCCC[C@H]2N)cc1 242688503 VQTRNMZJWYDLFO-NILFDRSVSA-N 248.370 2.616 0 40 BFAB c1ccc2c([C@H]3CSCCN3)ccnc2c1 306145949 WZLDEEKAZZHEME-CYBMUJFWSA-N 230.336 2.612 0 40 BFAB Cc1ccc(N[C@H]2CC[C@@H]2O)c(Cl)c1 585298744 CHQPLUREDGYDHH-QWRGUYRKSA-N 211.692 2.584 0 40 BFAB CC(C)(C)C(=O)c1c[nH]c2ccccc2c1=O 685937885 YYKAFRKSLKYCCG-UHFFFAOYSA-N 229.279 2.757 0 40 BFAB O=C1N[C@@H](C2CCCCC2)Nc2ccccc21 101946 SSILWQXUCHXMTP-ZDUSSCGKSA-N 230.311 2.748 0 40 BFAB CC(=O)Nc1c(C)cc(C)c(N(C)C(C)=O)c1C 1646583 VJOLOKILCURQEI-UHFFFAOYSA-N 248.326 2.553 0 40 BFAB CCCC(=O)N1CCCc2ccccc21 1694841 YQDKVTYBHKVETH-UHFFFAOYSA-N 203.285 2.766 0 40 BFAB CC(=O)c1ccc(C(=O)c2cccnc2)cc1 1722453 ABCWVQXYZSHSIP-UHFFFAOYSA-N 225.247 2.515 0 40 BFAB CCc1ccc(CCN2CCCCC2)nc1 1845603 RUGIKZBYEUXNID-UHFFFAOYSA-N 218.344 2.672 0 40 BFAB in-vitro CC1(C)C[C@@](C)(O)P(c2ccccc2)O1 3201299 NCCPRLWZBKOENA-SFVWDYPZSA-N 224.240 2.616 0 40 BFAB Cc1cc(C=O)c(C)n1Cc1ccco1 3298504 BXYHKQKRUPOGPW-UHFFFAOYSA-N 203.241 2.559 0 40 BFAB in-vitro Oc1cnc(-c2ccccc2)nc1Cl 5516897 HWTBCVDOMPMJOO-UHFFFAOYSA-N 206.632 2.503 0 40 BFAB O[C@H](Cn1cnc2ccccc21)c1ccccc1 5939175 PHNRAFWGTZKCDV-OAHLLOKOSA-N 238.290 2.770 0 40 BFAB C[C@@H]1CCC[C@@H](NC(=O)c2ccco2)[C@@H]1C 6468255 RZGCUTGKLOKALL-GMTAPVOTSA-N 221.300 2.834 0 40 BFAB CCC(CC)C(=O)Nc1ccc(OC)cc1N 8703571 TVXCYSLAISRUJE-UHFFFAOYSA-N 236.315 2.652 0 40 BFAB Cc1csc(-c2ccc(C(=O)O)cc2)n1 19779225 AHVXODVMORVSSK-UHFFFAOYSA-N 219.265 2.817 0 40 BFAB in-vitro Cc1cc(NCc2cccc(F)c2F)nn1C 20350336 LEUOWXGBSZKZPA-UHFFFAOYSA-N 237.253 2.619 0 40 BFAB Nc1ccc(NC(=O)c2ccccn2)c(Cl)c1 22150569 LZRMQBMQFTYSFH-UHFFFAOYSA-N 247.685 2.570 0 40 BFAB Nc1ncc2cc(Cl)c(Cl)cc2n1 32249894 OGBCMMGCLNFANJ-UHFFFAOYSA-N 214.055 2.519 0 40 BFAB in-vitro C[C@H](N(C)C(=O)c1ccco1)C(C)(C)C 32788132 UDFMXIMOBHBERZ-VIFPVBQESA-N 209.289 2.786 0 40 BFAB C[C@H](O)CN[C@@H]1CCCC[C@@H]1C(C)(C)C 35112514 JTAJUVKDCWLJQJ-SDDRHHMPSA-N 213.365 2.562 0 40 BFAB Nc1cc(C(=O)O)ccc1OCc1ccccc1 36225642 ROWAEHIRRCOHBZ-UHFFFAOYSA-N 243.262 2.546 0 40 BFAB CC(C)OCCCNC(=O)CCc1ccccc1 42236270 NQMNXTKHLWPOBK-UHFFFAOYSA-N 249.354 2.551 0 40 BFAB CC[C@@H](C)c1ccccc1O[C@H]1CCNC1 42776231 KJHPKZFUUPNMPR-NEPJUHHUSA-N 219.328 2.941 0 40 BFAB CCOC(=O)CCCC(=O)c1ccsc1 43210318 CWNISAMAQXESEE-UHFFFAOYSA-N 226.297 2.664 0 40 BFAB CCCc1noc([C@@H](C)N2CCC(C)CC2)n1 44583985 LNXVJBMAFGTAFV-LLVKDONJSA-N 237.347 2.815 0 40 BFAB Sc1nc2ccc(Br)cc2o1 45328682 LKVJXYIGFOTPGN-UHFFFAOYSA-N 230.086 2.879 0 40 BFAB CCSc1ncc(CNC(C)(C)CC)cn1 62717329 BUHKJADQFZMXOX-UHFFFAOYSA-N 239.388 2.867 0 40 BFAB CCCCN[C@H](C)[C@@H](C)n1cc(C)cn1 69845103 YYMIBHHLIXYWTA-VXGBXAGGSA-N 209.337 2.531 0 40 BFAB O=C(C1CC1)N1CCCC2(CCCCC2)C1 71281205 QASDGGKIRNUREO-UHFFFAOYSA-N 221.344 2.969 0 40 BFAB Cc1ccccc1-n1cnc(Br)c1 72193536 DDHQCCHRKMLWEG-UHFFFAOYSA-N 237.100 2.943 0 40 BFAB Cc1cc(Nc2ccccc2)ncc1CN 72223310 BXCZSCYQQFJBGT-UHFFFAOYSA-N 213.284 2.592 0 40 BFAB c1cc(NC2CCCC2)nc(C2CCNCC2)c1 72386447 WPDXHWPZHPPHQE-UHFFFAOYSA-N 245.370 2.903 0 40 BFAB O=C(O)c1ccncc1Oc1ccccc1 75624857 FDQFTGXHOIXOCY-UHFFFAOYSA-N 215.208 2.572 0 40 BFAB in-vitro CC(C)(N)c1ccc(Br)cc1F 75934470 PZUNZGPBEAFOAG-UHFFFAOYSA-N 232.096 2.782 0 40 BFAB COCOc1ccc(Br)cc1C 83748959 OBORCZCJWPDWDP-UHFFFAOYSA-N 231.089 2.740 0 40 BFAB Cc1cc(CO)c(F)cc1C(F)(F)F 91252064 YSXVMRQKBSXFCF-UHFFFAOYSA-N 208.154 2.645 0 40 BFAB CN[C@H]1CCc2c1cnn2C1CCCCC1 95098084 XCZSRSHBKRRDFO-LBPRGKRZSA-N 219.332 2.595 0 40 BFAB c1ccc(CSC[C@@H]2CCCOC2)nc1 96494702 GEOWLINXMWGXBK-LLVKDONJSA-N 223.341 2.741 0 40 BFAB COC[C@@H](C)Nc1ccc(C)cc1CN(C)C 97095499 YUMHNBIDUAOGMM-GFCCVEGCSA-N 236.359 2.503 0 40 BFAB O=C1Nc2ccccc2[C@@H]1Cc1ccc(O)cc1 100463055 BNEPXBTXKGHOQM-ZDUSSCGKSA-N 239.274 2.671 0 40 BFAB c1csc(-c2cnc3n2CCCC3)c1 100916428 BHEIUYHATDSKHL-UHFFFAOYSA-N 204.298 2.948 0 40 BFAB Cc1cc(O)c(Br)cc1F 146568876 OQDPFYLNWVPEDE-UHFFFAOYSA-N 205.026 2.602 0 40 BFAB Cc1ccccc1[S@](=O)Cc1ccccn1 191182251 MOPCBDMVHJPKFR-MRXNPFEDSA-N 231.320 2.698 0 40 BFAB COc1cc(OC)cc(-c2ccc[nH]2)c1 196220104 GQGRAYIBGDXICO-UHFFFAOYSA-N 203.241 2.699 0 40 BFAB COC(=O)CCC(=O)c1ccc(F)cc1Cl 234686362 ZPLMBKJOXHUCKP-UHFFFAOYSA-N 244.649 2.615 0 40 BFAB Clc1ccc(OP2OCCO2)cc1 238512667 OFNCEXFWACBQHG-UHFFFAOYSA-N 218.576 2.993 0 40 BFAB O=C(C1CC1)N1CCc2sc(Cl)cc2C1 335443561 YWXPRCPBLGYYIA-UHFFFAOYSA-N 241.743 2.696 0 40 BFAB CCc1sc(=N)n(C)c1-c1ccccc1 409227995 YXCRJQGXKXULSQ-UHFFFAOYSA-N 218.325 2.795 0 40 BFAB Clc1ccc2[nH]c(Br)cc2n1 669370262 DUSMUTQCZLSKNR-UHFFFAOYSA-N 231.480 2.979 0 40 BFAB COc1cccc2c(O)c(CC3CC3)c(O)nc12 685936969 FWOSCJWHYCMHJV-UHFFFAOYSA-N 245.278 2.607 0 40 BFAB CC(=O)N1CCS[C@]1(C)Cc1ccccc1 925439908 OLDDMNNUYWNFBJ-CYBMUJFWSA-N 235.352 2.541 0 40 BFAB Fc1ccc2ocnc2c1Br 1083812592 WIUZWVQODKOCKO-UHFFFAOYSA-N 216.009 2.729 0 40 BFAB CCOC(=O)c1[nH]c2ccc(OC)cc2c1C 551493 MZBGNUFRAXDPAT-UHFFFAOYSA-N 233.267 2.662 0 40 BFAB Cc1ccc(C(=O)CNC2CCCC2)cc1 812221 HGZYTBIVKJICSF-UHFFFAOYSA-N 217.312 2.710 0 40 BFAB Cc1nc(-c2ccccc2-n2cccc2)no1 1573511 IQQVBEBYAJZMSC-UHFFFAOYSA-N 225.251 2.836 0 40 BFAB CCC(=O)C[C@H]1CCC[C@H](CC(=O)CC)N1C 1716560 UKHHFOBGFNUOCK-VXGBXAGGSA-N 239.359 2.578 0 40 BFAB C[C@@H]1COC(=O)CCCCCCCCC(=O)O1 4023810 JOZILNCSRASEMU-LLVKDONJSA-N 242.315 2.596 0 40 BFAB biogenic C[C@H](Oc1ccc(F)cc1)c1nnc(S)o1 4200346 XLJXMEMTIHCCGG-LURJTMIESA-N 240.259 2.637 0 40 BFAB COc1ccc(CN[C@H]2CCOC(C)(C)C2)cc1 4898939 BPLBAWSCWSWZPE-ZDUSSCGKSA-N 249.354 2.742 0 40 BFAB CCCCC(=O)c1cc(OC)ccc1O 5417695 XFCADWLPEUDLJB-UHFFFAOYSA-N 208.257 2.774 0 40 BFAB CCC[C@@H](C)NC(=O)c1ccc(OC)cc1 5793859 SZBPHCYLXXRSEU-SNVBAGLBSA-N 221.300 2.614 0 40 BFAB CC1CCC(NC[C@H](O)c2ccccc2)CC1 6593896 ZIMOZEDUMMLPSF-ZALBZXLWSA-N 233.355 2.888 0 40 BFAB O=Cc1cccc(OC(=O)/C=C/c2ccco2)c1 9553491 YPZQOGXDABJTKM-VOTSOKGWSA-N 242.230 2.711 0 40 BFAB CC(C)CNCc1c[nH]nc1-c1ccc(F)cc1 12532307 GIKOOTZBLUILJO-UHFFFAOYSA-N 247.317 2.961 0 40 BFAB CC[C@@H](C)C(=O)N[C@H]1CCCc2occc21 12913636 GJDNNABSILAWNY-KOLCDFICSA-N 221.300 2.819 0 40 BFAB CC(C)Oc1ccc(C=O)cc1CN1CCCC1 13424680 KWOPYDHXAZUUOS-UHFFFAOYSA-N 247.338 2.882 0 40 BFAB CCCC(=O)N1C[C@]2(C)C[C@H]1C(C)(C)C2 16636931 APEQZUHJVORQHD-GXFFZTMASA-N 209.333 2.824 0 40 BFAB C[C@@H]1CCCN([C@@H](CN)c2ccccc2F)C1 19400342 VPHYZNNRJQDDPC-RISCZKNCSA-N 236.334 2.557 0 40 BFAB C[C@@H](NCc1ccc(Cl)cc1Cl)C(=O)O 19787729 SCEUSADETKMIQZ-ZCFIWIBFSA-N 248.109 2.556 0 40 BFAB in-vitro Cc1nc(SCC(C)C)sc1CC(=O)O 19812688 OVGGSKIGXIWKRV-UHFFFAOYSA-N 245.369 2.827 0 40 BFAB COc1ccc(COc2ccccc2CN)cc1 20076648 YWPAFVJEOSYUTH-UHFFFAOYSA-N 243.306 2.733 0 40 BFAB CCCOc1ccc([C@H](C)N)cc1OC 22212634 PDQIVCBBIFGKSA-VIFPVBQESA-N 209.289 2.504 0 40 BFAB O=C(O)c1ccc(-c2cscn2)cc1 37239773 DJJLKDMESZPSAM-UHFFFAOYSA-N 205.238 2.508 0 40 BFAB in-vitro C[C@H](O)c1cccc(C(=O)c2ccccc2)c1 39395631 VIGLCJZNAGRKFZ-NSHDSACASA-N 226.275 2.971 0 40 BFAB in-vitro COc1ccccc1SC[C@H]1CCCCN1 43495464 SSLHOVYREHLOPX-LLVKDONJSA-N 237.368 2.929 0 40 BFAB COc1cc(N)cc(Cl)c1N1CCCCC1 45886456 DKRBJWZYMOKMLG-UHFFFAOYSA-N 240.734 2.921 0 40 BFAB COCCCCNc1nc2ccccc2nc1C 48336961 LFXSPYQYXZZQFA-UHFFFAOYSA-N 245.326 2.777 0 40 BFAB COc1ccc(NCCCCCO)c(C)c1 61567252 SNCDXOLNOQHLCP-UHFFFAOYSA-N 223.316 2.578 0 40 BFAB Cc1ccncc1NC(=O)OCC(F)(F)F 70959590 JUGZLJLXDABJQC-UHFFFAOYSA-N 234.177 2.501 0 40 BFAB in-vitro Cc1nc(N)ccc1[C@H]1CCCN1C(C)C 72218560 ADBPZTLDCNLVHP-GFCCVEGCSA-N 219.332 2.518 0 40 BFAB Cc1nc(N2CCCCC2)ccc1[C@H]1CCCN1 72219263 XXXJKWYKGFJILT-CQSZACIVSA-N 245.370 2.805 0 40 BFAB CC(C)(C)CNC(=O)c1cc(F)ccc1F 75909847 KWRGLABSOAAPPB-UHFFFAOYSA-N 227.254 2.741 0 40 BFAB CCCCn1c(C(C)=O)cc(C=O)c1CC 78404393 XSWSHAUIWPMQFJ-UHFFFAOYSA-N 221.300 2.866 0 40 BFAB Clc1ccc(CCCn2cncn2)cc1 79073253 LFCIMRHOKUPSCO-UHFFFAOYSA-N 221.691 2.564 0 40 BFAB CCc1noc(C)c1NC(=O)OC(C)(C)C 83255299 XNLXAFGKZVZBBI-UHFFFAOYSA-N 226.276 2.892 0 40 BFAB COc1c(C)cc(C2([C@@H](C)O)CC2)cc1C 84402506 WWOIRMGDRVFMAT-LLVKDONJSA-N 220.312 2.724 0 40 BFAB CC1CC(COc2cccc(C=O)c2)C1 85393978 ZCKCEENQSKZPSK-UHFFFAOYSA-N 204.269 2.924 0 40 BFAB c1cc(N2CCCC2)c2sccc2n1 89884867 VBOHCUSHIZVBFN-UHFFFAOYSA-N 204.298 2.897 0 40 BFAB Brc1nc2cnccc2n1C1CC1 95096565 SEVXKTFTBHRRAI-UHFFFAOYSA-N 238.088 2.529 0 40 BFAB Cc1cc2cc(Br)c(C)nc2[nH]1 95643087 YZWSSKXHMXSZGQ-UHFFFAOYSA-N 225.089 2.942 0 40 BFAB C[C@]12CC[C@H]3[C@@](Br)(C[C@@]31C)C2=O 101264614 MZUHKKJTABCVFS-PRQTWWFRSA-N 229.117 2.529 0 40 BFAB CCCN(Cc1ccco1)C[C@H](N)[C@H](C)CC 110764453 JQQBLKOMBMKRRE-OCCSQVGLSA-N 238.375 2.865 0 40 BFAB NN[C@H](c1ccccc1)c1ccc(F)c(F)c1 161806486 ODJDLAICECRVBR-CYBMUJFWSA-N 234.249 2.518 0 40 BFAB Cc1ccc(N(C)C(=O)C2CC2)cc1C 222969752 BQHVIJUDHHIHRX-UHFFFAOYSA-N 203.285 2.676 0 40 BFAB Cc1cc(N2CCCC2)nc2c(O)cccc12 258371820 YHIYCUQKULWMKU-UHFFFAOYSA-N 228.295 2.849 0 40 BFAB Cc1ncnc(OCC2CC(F)(F)C2)c1C 585652387 MINRMMHNOMAMFB-UHFFFAOYSA-N 228.242 2.518 0 40 BFAB Cc1nc(CN2CCc3sccc3C2)co1 647956333 JPHAGIYLHXNDIQ-UHFFFAOYSA-N 234.324 2.603 0 40 BFAB C[C@H](CC(=O)N1CCC1(C)C)c1ccco1 859509031 OXHNGPLDRVVKNH-SNVBAGLBSA-N 221.300 2.784 0 40 BFAB C[C@@H]1C[C@@H](C)CN(C(=O)c2cccs2)C1 29367 OCECQJAGGNFNJC-NXEZZACHSA-N 223.341 2.866 0 40 BFAB CC(=O)CC(=O)Nc1ccc(C(F)(F)F)cc1 1383423 GGDAWUSJZZHVBR-UHFFFAOYSA-N 245.200 2.623 0 40 BFAB CCCS[C@@H]1CCCC[C@H]1C(=O)O 1707818 DABOLUKERAQTBU-RKDXNWHRSA-N 202.319 2.773 0 40 BFAB O=C(Nc1cc(F)ccc1F)c1ccco1 3611341 AOZQIAWTQHTEGH-UHFFFAOYSA-N 223.178 2.810 0 40 BFAB NC12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 3764795 HRSPHBYURWVDMU-BQKDNTBBSA-N 219.250 2.846 0 40 BFAB in-vitro COc1ccc2c(C)cc3n[nH]c(=S)n3c2c1 3887074 PSFXBSNENTWMFO-UHFFFAOYSA-N 245.307 2.862 0 40 BFAB C[C@@H](NCc1ccccn1)c1ccccc1 4244923 XTKDSQFTLMREPE-GFCCVEGCSA-N 212.296 2.932 0 40 BFAB CC(C)c1ccccc1NC(=O)N1CCOCC1 5498706 CDSQRNRATOTYJR-UHFFFAOYSA-N 248.326 2.674 0 40 BFAB CC1CCN(Cc2ccc(Cl)nc2)CC1 5641919 MFBCVFBIYRUABV-UHFFFAOYSA-N 224.735 2.967 0 40 BFAB CCC(C)(C)C(=O)Nc1ccc(C)c(N)c1 8703527 NNYXIQFCJATHRF-UHFFFAOYSA-N 220.316 2.952 0 40 BFAB CCN(CC)C(=O)c1cc2cc(C)ccc2[nH]1 12900673 IXJQPRMKCKUIQV-UHFFFAOYSA-N 230.311 2.958 0 40 BFAB Cc1ccc(NCc2nnc(S)o2)c(C)c1 13534748 BPPGTVVLCVFAKI-UHFFFAOYSA-N 235.312 2.587 0 40 BFAB Cc1ncc(C(=O)NC2CCCCCC2)c(C)n1 19936910 CDBONIRULDOKJV-UHFFFAOYSA-N 247.342 2.546 0 40 BFAB O=C(O)C[C@H]1CCC[C@@H](C(F)(F)F)C1 34293459 BUJBAYNWPMAINK-NKWVEPMBSA-N 210.195 2.830 0 40 BFAB in-vitro Cc1[nH]c([C@@H]2CCCN2)nc1-c1ccccc1 34455871 ZWIRDXUIHBOVPW-LBPRGKRZSA-N 227.311 2.810 0 40 BFAB in-vitro CSc1ccc([C@@H]2CCCN2C)cn1 34617901 ISKHXJIFWZYZAN-JTQLQIEISA-N 208.330 2.570 0 40 BFAB Fc1cccc(CCNC2CCCC2)c1 35137796 NMJQEZXWSYPOQD-UHFFFAOYSA-N 207.292 2.900 0 40 BFAB in-vitro CCn1cc(NC[C@@H]2CC=CCC2)cn1 35780149 MWXPQARPQFKTIO-LLVKDONJSA-N 205.305 2.671 0 40 BFAB CCOCCN[C@H]1C[C@H](C)CC(C)(C)C1 36228925 VNVWTBRJYBXOBM-RYUDHWBXSA-N 213.365 2.827 0 40 BFAB Cc1c(-c2cc(F)ccc2F)noc1N 36937247 GJRREPLIICZFQN-UHFFFAOYSA-N 210.183 2.510 0 40 BFAB CC(C)CCN1Cc2cccc(N)c2C1 37117009 QTLRHWWBDAJTOF-UHFFFAOYSA-N 204.317 2.631 0 40 BFAB in-vitro N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 37381471 HNSQANLLXAISTN-IMTBSYHQSA-N 202.084 2.808 0 40 BFAB CN[C@H](c1ccc(F)cc1)c1ccccn1 37467462 MTCJJQRKUPODNM-CYBMUJFWSA-N 216.259 2.530 0 40 BFAB in-vitro CCc1ccc(C(=O)NC(C)(C)CC)o1 40510980 ZCMHUQKFTWKTCH-UHFFFAOYSA-N 209.289 2.760 0 40 BFAB Cc1cnc(NC(=O)N2CCCC[C@@H]2C)s1 43385917 YVBODVBKPNSSSZ-QMMMGPOBSA-N 239.344 2.858 0 40 BFAB COC(=O)c1cc(Cl)c(Cl)cc1OC 45957406 JNYABXQGKADMCQ-UHFFFAOYSA-N 235.066 2.789 0 40 BFAB CC(C)CCNC[C@H](C)C(=O)OC(C)(C)C 47219063 WJYZYUSIIFUODF-NSHDSACASA-N 229.364 2.600 0 40 BFAB CC(C)=CC(=O)NCc1ccccc1Cl 48089474 FABZMCDWXQSRKE-UHFFFAOYSA-N 223.703 2.922 0 40 BFAB CC(C)NC(=O)c1cnc(C(C)(C)C)s1 49045823 XFVZAQRZLPZLTG-UHFFFAOYSA-N 226.345 2.579 0 40 BFAB CC1CCN([C@H](C)c2nc(C3CC3)no2)CC1 51210231 KKRJNSSCRIDACJ-SNVBAGLBSA-N 235.331 2.740 0 40 BFAB CC[C@H]1CCCCN1Cc1ccc(CN)o1 52447501 RJCBWSJOOFTEOL-NSHDSACASA-N 222.332 2.503 0 40 BFAB N[C@H]1C[C@H]1c1ccc(-c2ccc(F)cc2)o1 70453093 MQJNXLOWTVHZCF-MNOVXSKESA-N 217.243 2.900 0 40 BFAB CCc1nc(C(=O)C(F)(F)F)c2ccccn12 71551289 WJSAPQOISCLHSR-UHFFFAOYSA-N 242.200 2.642 0 40 BFAB O=C(O)c1ccc(-c2nc3ncccc3o2)cc1 75877681 YRMYYNLQJRLKET-UHFFFAOYSA-N 240.218 2.588 0 40 BFAB Brc1ccn(-c2ccccc2)n1 76914555 DNNFZHXAVGUVSU-UHFFFAOYSA-N 223.073 2.635 0 40 BFAB CCOC(=O)/C=C/c1cccc2[nH]ccc12 83291654 IORKQMOMBZKIHV-VOTSOKGWSA-N 215.252 2.744 0 40 BFAB CCCCOc1ccc(C(=O)O)c(C)c1 86253995 POVRQOIEHGXWHJ-UHFFFAOYSA-N 208.257 2.872 0 40 BFAB Nc1nc2ccc(F)cc2cc1Br 95098188 MSTZEWAYEHJFTN-UHFFFAOYSA-N 241.063 2.719 0 40 BFAB CC(=O)N[C@@H](C)c1cc(C)c(F)c(C)c1 95401756 GTIZHCUTGLWZLL-VIFPVBQESA-N 209.264 2.640 0 40 BFAB O=C(CC1CCCCCC1)N1CCCC1 95408411 YEVBECINXFXXFI-UHFFFAOYSA-N 209.333 2.969 0 40 BFAB CC[C@@](C)(O)c1cc(C)c(OC)c(C)c1 95739047 YDLHLPHGMAICGE-CYBMUJFWSA-N 208.301 2.930 0 40 BFAB CC(C)(C)c1ccc(Cc2nnc(S)[nH]2)cc1 96287931 FTKIRGOTRORGSR-UHFFFAOYSA-N 247.367 2.982 0 40 BFAB C[C@]12CC3CC(OCCN)(C1)C[C@](C)(C3)C2 100002481 WQXMVAGRSICDSC-CEUNDQEZSA-N 223.360 2.711 0 40 BFAB CN(C(=O)[C@@H]1C[C@H]2C=C[C@H]1C2)c1ccccc1 102254107 FJXJWAXUELQVHU-SGMGOOAPSA-N 227.307 2.862 0 40 BFAB C[C@H](O)CN[C@H]1C[C@@H](c2ccccc2)C1(C)C 123672340 OKHGITDXBGVGTH-UBHSHLNASA-N 233.355 2.539 0 40 BFAB CCONC(=O)Nc1c(C)cccc1Cl 132556818 HJAXESFXQSNHIQ-UHFFFAOYSA-N 228.679 2.721 0 40 BFAB CC(=O)n1cc(C=O)c2ccc(Cl)cc21 199736070 LVMOBMXYMUOCPF-UHFFFAOYSA-N 221.643 2.767 0 40 BFAB CSc1ccc(-c2nocc2C(=O)O)cc1 226099715 PFJDQZXQKPMIIO-UHFFFAOYSA-N 235.264 2.762 0 40 BFAB c1coc(CN2CCCC[C@@H]2c2ccncn2)c1 257213249 CGTNNBLNVVOANC-CQSZACIVSA-N 243.310 2.797 0 40 BFAB Cc1ccc(N[C@H]2COC(C)(C)C2)c(C)n1 335655769 HATZPWSSEYQBHT-LLVKDONJSA-N 220.316 2.678 0 40 BFAB Cn1c(C(C)(C)C)csc1=NCC1CC1 382643311 ZDOOGJXTHQAXHC-UHFFFAOYSA-N 224.373 2.695 0 40 BFAB N#Cc1cccc(Oc2ccncc2C#N)c1 399418522 DBSWFKUZFOPLMV-UHFFFAOYSA-N 221.219 2.617 0 40 BFAB Cc1ncnc(Nc2ccccc2F)c1F 1888864178 IEASJEQDMPQRNM-UHFFFAOYSA-N 221.210 2.807 0 40 BFAB Cc1ccc(C(=O)N2CCC[C@@H](C)C2)cc1 29225 GKQYDTTVHXRDCO-GFCCVEGCSA-N 217.312 2.867 0 40 BFAB O=[N+]([O-])/C=C/c1cc(Br)cs1 101001 HFKHRPZOEUWBPV-OWOJBTEDSA-N 234.074 2.758 0 40 BFAB COc1ccc(Nc2cccc3nonc23)cc1 194996 NPZPREHFSTUICN-UHFFFAOYSA-N 241.250 2.975 0 40 BFAB S=C(NCc1ccccc1)N1CCCCCC1 362874 VAZIKJHCJGAUBK-UHFFFAOYSA-N 248.395 2.937 0 40 BFAB CC(C)c1nc2sc3c(c2c(=O)[nH]1)CCCC3 413269 RWHSVQCAORKTFQ-UHFFFAOYSA-N 248.351 2.987 0 40 BFAB Cc1cc(C)c(NC(=O)[C@H]2CCCO2)c(C)c1 483736 GNANZGAOCXOCEI-GFCCVEGCSA-N 233.311 2.729 0 40 BFAB COC(=O)c1ccc(C(=O)c2ccccc2)cc1 1601902 UPXFXAMIFNGJLD-UHFFFAOYSA-N 240.258 2.704 0 40 BFAB CCCCC(=O)NC(=O)N[C@@H](C)c1ccccc1 2224554 LHMDLHSWMVYZJG-NSHDSACASA-N 248.326 2.764 0 40 BFAB CN1CCC(c2ccc3cc[nH]c3c2)CC1 2526977 QVEINKHQGZOIBG-UHFFFAOYSA-N 214.312 2.977 0 40 BFAB CCc1ccc(C(=O)CCC2OCCCO2)cc1 2581228 HHJNTGDOSLGJMT-UHFFFAOYSA-N 248.322 2.975 0 40 BFAB CCC(=O)NCC[C@@H]1CCc2ccc(OC)cc21 3825731 BURWKXUNJOXCGV-LBPRGKRZSA-N 247.338 2.641 0 40 BFAB in-vitro CC(C)[C@@H]1CC[C@H](C)C[C@H]1O[C@H]1C=CC(=O)O1 5533829 URWJVUPZIGIVFZ-CIQGVGRVSA-N 238.327 2.903 0 40 BFAB CC1=Cc2ccccc2[C@H]1NC(C)(C)C(=O)O 8730717 SVXJLZKBHFCAOT-LBPRGKRZSA-N 231.295 2.597 0 40 BFAB CN(Cc1ccccc1)c1ccccc1CN 11757300 PTWULADZFDFXDN-UHFFFAOYSA-N 226.323 2.782 0 40 BFAB Cc1ccc(CN(C)C(=O)c2ccc(F)cc2)o1 12973902 BYDLJZXBLVZGGY-UHFFFAOYSA-N 247.269 2.999 0 40 BFAB CC[C@@H](C)NC(=O)c1ccc(OC(F)F)cc1 13007726 MLXKURBUTDWZOF-MRVPVSSYSA-N 243.253 2.816 0 40 BFAB COC(=O)NCc1ccc(Cl)cc1Cl 13327925 RBTWWLXPUDGGPT-UHFFFAOYSA-N 234.082 2.849 0 40 BFAB CC(C)c1ccc([C@@H](O)C(C)(C)N)cc1 19684233 PPPHAURWQYMIFI-GFCCVEGCSA-N 207.317 2.581 0 40 BFAB OC1=Nc2n[nH]cc2[C@H](c2c(F)cccc2F)C1 20745794 DLGQTZPIINOLRL-ZCFIWIBFSA-N 249.220 2.812 0 40 BFAB Cc1ccc(-n2c(C)c(C)c(C=O)c2C)nc1 22122419 FTNMOLXANRRYAI-UHFFFAOYSA-N 228.295 2.918 0 40 BFAB C[C@H](NC(=O)c1cccn1C)c1cccc(F)c1 32983530 NVGRZERCIFNGDM-JTQLQIEISA-N 246.285 2.655 0 40 BFAB Cn1c(C=O)c(Br)c2ccccc21 34511211 XPLPNQFLFWXQRC-UHFFFAOYSA-N 238.084 2.753 0 40 BFAB Fc1ccccc1-c1c[nH]c([C@@H]2CCCN2)n1 36874063 JLIXAWCCHPMDBC-NSHDSACASA-N 231.274 2.640 0 40 BFAB in-vitro Fc1ccc(CCC2CCNCC2)cc1F 36906565 LNKMKOYMCHLYOL-UHFFFAOYSA-N 225.282 2.897 0 40 BFAB CC(C)CN1CCC[C@H]1c1cccnc1 38251933 GLJJMSCSMAMGLB-ZDUSSCGKSA-N 204.317 2.875 0 40 BFAB CC(C)=CC(=O)NCc1ccc(F)c(C)c1 40489506 BGCRIQSHTBIQRR-UHFFFAOYSA-N 221.275 2.717 0 40 BFAB O=C1CSC2(CCC(c3ccccc3)CC2)N1 43827831 ZZULYAVBOQSSIA-UHFFFAOYSA-N 247.363 2.904 0 40 BFAB in-vitro COC[C@@H](C)CNc1nc2ccccc2o1 44477338 XDNUHARCKYAFOZ-VIFPVBQESA-N 220.272 2.522 0 40 BFAB Cc1nc(CNC(=O)Nc2ccccc2)oc1C 48768927 KMESIQZTTSWIII-UHFFFAOYSA-N 245.282 2.613 0 40 BFAB CCC(=O)c1ccc(N2CCCC2)nc1C 72224515 UUHPBFOSNYGIGX-UHFFFAOYSA-N 218.300 2.583 0 40 BFAB O=C(OCc1ccccc1)c1ccc(F)o1 85392509 CEOXKBUCSHIFFW-UHFFFAOYSA-N 220.199 2.776 0 40 BFAB COCCSCc1ncc(C)c(OC)c1C 89702211 MMEBMRTWWUCFIN-UHFFFAOYSA-N 241.356 2.587 0 40 BFAB CSc1ccc(NCc2cscn2)cn1 95430880 KGBMUKYMBJZUFP-UHFFFAOYSA-N 237.353 2.872 0 40 BFAB CC(C)CNC(=S)Nc1c(F)cccc1F 135763343 ZTNKGDAWWRSPKW-UHFFFAOYSA-N 244.310 2.907 0 40 BFAB COC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 141896457 RWNCYTADJXIKOL-ZJUUUORDSA-N 210.660 2.617 0 40 BFAB Cc1c(Br)sc2cc[nH]c(=O)c12 148400985 GYXMWPUFAAQXIF-UHFFFAOYSA-N 244.113 2.661 0 40 BFAB O=c1ccc(C(F)(F)F)nn1[C@H]1C=CCCC1 178878220 LMIPHYKKKHJZFL-QMMMGPOBSA-N 244.216 2.543 0 40 BFAB CCNc1cc(C)ccc1NC(=O)c1ccon1 191391282 WRGMUWASKVEPHO-UHFFFAOYSA-N 245.282 2.667 0 40 BFAB C[Si](C)(C)c1ccc([Si](C)(C)C)c(F)c1 196429656 UPZJMGIJVDLBGG-UHFFFAOYSA-N 240.470 2.916 0 40 BFAB Cc1cnc(Cl)c(CC(=O)OC(C)(C)C)c1 199829948 MDCXJIKNDDAURD-UHFFFAOYSA-N 241.718 2.928 0 40 BFAB COc1cc(F)ccc1C(=O)CCSC 394662068 ADILTLQUQKSAFW-UHFFFAOYSA-N 228.288 2.770 0 40 BFAB Fc1ccc2ncnc(N3C4CCC3CC4)c2c1 678388928 QSIROBWNMYQVKF-UHFFFAOYSA-N 243.285 2.900 0 40 BFAB Cc1cc(Sc2ccccn2)ccn1 1565519269 JVGXRUDWYLUQPW-UHFFFAOYSA-N 202.282 2.936 0 40 BFAB Cn1cnc(-c2ccc([C@@H]3CCCCN3)cc2)c1 1857782838 KGMXIOPIOGKEIC-AWEZNQCLSA-N 241.338 2.902 0 40 BFAB CN(C)c1ccc([C@@H](O)c2cccs2)cc1 54669 IHKZCVPNQIENBH-CYBMUJFWSA-N 233.336 2.896 0 40 BFAB CC1CCN(c2nncc3ccccc23)CC1 102572 JCAGFOMFEBEORI-UHFFFAOYSA-N 227.311 2.866 0 40 BFAB Cc1csc2nc(-c3cccs3)nn12 1586133 YLYJPTSRIKAFBP-UHFFFAOYSA-N 221.310 2.828 0 40 BFAB S=C(SN1CCCCC1)N1CCCCC1 1696667 PKQICHQXXHJSOQ-UHFFFAOYSA-N 244.429 2.891 0 40 BFAB COC[C@H](C)Oc1ccc(N)cc1C(F)(F)F 6678027 UPCZGVUZZIDAEX-ZETCQYMHSA-N 249.232 2.701 0 40 BFAB CCCCNC(=O)[C@@H](C)Oc1cc(C)cc(C)c1 11637124 BLOKEYVXJICWMG-CYBMUJFWSA-N 249.354 2.987 0 40 BFAB CC(C)NC(=O)NCc1ccc(Cl)cc1 12942829 BCKKZFTUJITHHR-UHFFFAOYSA-N 226.707 2.548 0 40 BFAB C[C@H]1CN(c2ccc(N)cc2Cl)C[C@@H](C)O1 19094114 AFDLMBVDIMFVHA-DTORHVGOSA-N 240.734 2.536 0 40 BFAB CCN[C@@H](C)c1ccccc1OC(F)F 19510300 NKTWRHTXYMFKHE-QMMMGPOBSA-N 215.243 2.959 0 40 BFAB CCn1c(-c2ccc(Cl)cc2)cnc1N 22130282 GKEVITJVOSSUBH-UHFFFAOYSA-N 221.691 2.806 0 40 BFAB CC[C@@H](Oc1ccccc1C)C(=O)NC(C)C 22521789 LDEUGCZDRQHADG-GFCCVEGCSA-N 235.327 2.677 0 40 BFAB CC[C@H](C)NC(=O)[C@H](C)Oc1cc(C)cc(C)c1 32611023 MTQYSXCEBQNFJO-STQMWFEESA-N 249.354 2.985 0 40 BFAB O=Cc1cccc(OCc2ccccc2)c1O 34444818 IDQPYNNNKOORPJ-UHFFFAOYSA-N 228.247 2.784 0 40 BFAB O=C(c1ccc(F)cc1)c1cccc(O)c1 39257837 AVTZOMBANNWKGQ-UHFFFAOYSA-N 216.211 2.762 0 40 BFAB Cc1ccc(C(=O)N[C@H](C)Cc2ccco2)o1 40074720 DPACNUQXAWSQPV-SECBINFHSA-N 233.267 2.542 0 40 BFAB CC(C)c1noc(CN(C2CC2)[C@H](C)C2CC2)n1 42123696 TXBYCYZPARQSDG-SNVBAGLBSA-N 249.358 2.956 0 40 BFAB Cc1cc(F)ccc1[C@H](O)c1ccco1 55204600 UMUOBKQBQYOMKQ-LBPRGKRZSA-N 206.216 2.809 0 40 BFAB O[C@H](Cc1cccc(Cl)c1)C(F)(F)F 61893939 SVEIEDFKSFGRES-MRVPVSSYSA-N 224.609 2.806 0 40 BFAB in-vitro Cc1ccc([C@@H](O)c2ccoc2)cc1F 68979227 BWNGQSWMNMYGJX-GFCCVEGCSA-N 206.216 2.809 0 40 BFAB CC(C)(C)OC(=O)Nc1cnc(Cl)cc1O 71864486 XYLIXPPZYWDTRA-UHFFFAOYSA-N 244.678 2.788 0 40 BFAB O=C(c1ncccc1Cl)N1CCCCCC1 72243403 UFZWRMXPYVOPHJ-UHFFFAOYSA-N 238.718 2.751 0 40 BFAB CC(C)Nc1ccc(F)cc1NC(=O)C1CC1 74254827 GASUXQAYZGXCLB-UHFFFAOYSA-N 236.290 2.995 0 40 BFAB Cc1cc(C)c(C(=O)NCC(F)(F)F)c(C)c1 75909610 JEIRUEPQTIDWKE-UHFFFAOYSA-N 245.244 2.904 0 40 BFAB CCNC(=O)N1CCCCC[C@@H]1c1ccco1 77538579 CKCRTQFYLNMNSA-LLVKDONJSA-N 236.315 2.926 0 40 BFAB COC(=O)c1ccc2cc(N(C)C)ccc2c1 82046678 YNDOGGZQRKTTKV-UHFFFAOYSA-N 229.279 2.692 0 40 BFAB Cc1ccc(NC(=O)[C@@H]2CCCN(C)C2)c(C)c1 82322510 WFMMITYDSHVLCO-CYBMUJFWSA-N 246.354 2.584 0 40 BFAB CSCc1ccnc(NCc2cccn2C)c1 89756759 AUYKGKWGEIBQQL-UHFFFAOYSA-N 247.367 2.895 0 40 BFAB CC[C@H](COC)N[C@@H]1CCc2c(OC)cccc21 95968264 JVZMQVUOHVXRGZ-BXUZGUMPSA-N 249.354 2.697 0 40 BFAB CC(C)(C)C(=O)NCCSCc1ccco1 96125659 GRXZDGRUEYMPSB-UHFFFAOYSA-N 241.356 2.675 0 40 BFAB CCOc1ccc(SC)cc1C(=O)O 96529740 SUKIZYHTHYQGRJ-UHFFFAOYSA-N 212.270 2.505 0 40 BFAB C[C@@H](O)Cc1cc(Cl)cc(Cl)c1 96543439 DWEGNEQLANUCFS-ZCFIWIBFSA-N 205.084 2.917 0 40 BFAB Cc1ccc(S[C@H]2CCN(C)C2=O)c(C)c1 98010242 ISEPUTDLZGEQQO-LBPRGKRZSA-N 235.352 2.626 0 40 BFAB C[C@H](NC(=O)[C@H]1C[C@H]2C=C[C@H]1C2)C(C)(C)C 102758816 QAQHFAXTYBYZJM-BJDJZHNGSA-N 221.344 2.749 0 40 BFAB Oc1cccc(NCc2ccc3cn[nH]c3c2)c1 195576033 OXESMNHAZICMEM-UHFFFAOYSA-N 239.278 2.881 0 40 BFAB Cc1ccc(C)c(C[C@@H](OC(C)C)C(=O)O)c1 225029849 WPJRFFHIIBHXPR-CYBMUJFWSA-N 236.311 2.724 0 40 BFAB S=C(Nc1ccc2sncc2c1)NC1CC1 225171598 UXIMVLQSDLTCJC-UHFFFAOYSA-N 249.364 2.745 0 40 BFAB CO[C@H]1CCN(CCCCCF)[C@H](C)C1 330033072 WGOIPPKGQAUJQI-NEPJUHHUSA-N 217.328 2.626 0 40 BFAB Sc1nnc(-c2cc(Cl)nc(Cl)c2)o1 166705 DGCWSYQIRJNUBJ-UHFFFAOYSA-N 248.094 2.727 0 40 BFAB C[C@@H](NC(=O)C(C)(C)C)c1nc2ccccc2[nH]1 200914 SZSOLHZRDPYEOA-SECBINFHSA-N 245.326 2.786 0 40 BFAB CCOC(Cn1c(C)nc2ccccc21)OCC 550410 WRFIYWSIUUXPPB-UHFFFAOYSA-N 248.326 2.744 0 40 BFAB Cc1ccn2cc(-c3cccc(N)c3)nc2c1 1390337 CWUVBFCZNNSLPY-UHFFFAOYSA-N 223.279 2.892 0 40 BFAB O=C1NCC2(O1)c1ccccc1-c1ccccc12 1689877 SGSWZKZYVMJLGR-UHFFFAOYSA-N 237.258 2.650 0 40 BFAB CCC(=O)C[C@@H]1CCC[C@@H](CC(=O)CC)N1C 1716559 UKHHFOBGFNUOCK-RYUDHWBXSA-N 239.359 2.578 0 40 BFAB Cc1ccccc1C(=O)[C@@H]1CCC[C@H]1C(=O)O 2574453 JCFJOOWFROHYMP-VXGBXAGGSA-N 232.279 2.679 0 40 BFAB CC(C)CN(CC(C)C)C(=O)c1cccnc1 3159739 VKKRQPHJDXCBJA-UHFFFAOYSA-N 234.343 2.836 0 40 BFAB FC(F)(F)c1cncc(-n2cccc2)c1 4054202 HQBJKVDSJFNVBX-UHFFFAOYSA-N 212.174 2.891 0 40 BFAB C[C@H]1CN=C(N[C@H](C)c2ccccc2)S1 4207739 ZJIQMPFFCHYYLL-VHSXEESVSA-N 220.341 2.829 0 40 BFAB CC1(C)[C@H]2CC[C@]1(C)c1nc(=S)[nH]nc12 5686111 FYDIWFZMQQDSND-UPONEAKYSA-N 221.329 2.709 0 40 BFAB Cc1occc1C(=O)NC1CCCCC1 6232913 ZMDWRTXMKODUME-UHFFFAOYSA-N 207.273 2.651 0 40 BFAB O=c1[nH]nc(-c2ccccc2)c(Cl)c1Cl 8614774 HDTOVDHFTBJJLV-UHFFFAOYSA-N 241.077 2.744 0 40 BFAB CCC[C@@H](Oc1ccccc1C)C(=O)O 8730622 CJMDTGPJSSIJPQ-LLVKDONJSA-N 208.257 2.627 0 40 BFAB COc1ccc2cc([C@H](C)O)c(Cl)nc2c1 11727527 LMIDMAGSHFBQHR-ZETCQYMHSA-N 237.686 2.950 0 40 BFAB Nc1ccccc1/N=c1\ssnc1Cl 12375622 QPIGZOLUJQKPPR-FLIBITNWSA-N 243.744 2.673 0 40 BFAB CCCCNC(=S)NCc1ccc(F)cc1 13814257 NCAPOOREICJQTP-UHFFFAOYSA-N 240.347 2.590 0 40 BFAB Oc1n[nH]c2cc(Cl)cc(Cl)c12 14984608 PWICKNKMMDSCJK-UHFFFAOYSA-N 203.028 2.575 0 40 BFAB NNc1nc2c(C(F)(F)F)cccc2s1 14985067 BGQDPZBYKOKPPU-UHFFFAOYSA-N 233.218 2.601 0 40 BFAB CCCCOc1c(C)cc(CO)cc1C 20425085 BQQWCVDSYZZUSQ-UHFFFAOYSA-N 208.301 2.975 0 40 BFAB O=C(C[C@@H]1C=CCC1)Nc1nnc(C2CC2)s1 22738564 ICXQXGYIUSTEOG-MRVPVSSYSA-N 249.339 2.710 0 40 BFAB Cc1ccc(C)c(NC(=O)[C@H](C)n2cccn2)c1 24751537 NMRHPFXSQFXZOD-LBPRGKRZSA-N 243.310 2.700 0 40 BFAB CCCn1nccc1NC(=O)[C@@H]1CC=CCC1 31770747 YAAKWRRNXVQBLB-LLVKDONJSA-N 233.315 2.588 0 40 BFAB O=C(OCCCc1ccccc1)c1cccnc1 32181093 IJXNGPWCHMAWGL-UHFFFAOYSA-N 241.290 2.871 0 40 BFAB CN(Cc1ccco1)C(=O)[C@H]1CC=CCC1 32820572 KXQIAIKSVJSWGG-NSHDSACASA-N 219.284 2.594 0 40 BFAB C[C@H](NC(=O)c1ccco1)c1ccccc1F 32983391 LTBNMJBHXRHYED-VIFPVBQESA-N 233.242 2.910 0 40 BFAB O=C(C1CC1)N1CCC[C@@H]1c1cccs1 33028508 OWPGWTAMHQQVNN-SNVBAGLBSA-N 221.325 2.822 0 40 BFAB CC(=O)c1cscc1Br 34588028 YWDRRISTDUJCKF-UHFFFAOYSA-N 205.076 2.713 0 40 BFAB in-vitro CCSCC(=O)c1ccc(F)cc1F 37353161 CIKBZFJCPPQZGF-UHFFFAOYSA-N 216.252 2.901 0 40 BFAB O=C(CSC(F)(F)F)NC1CCCCC1 40088753 ZKJHBHOAGDWCNV-UHFFFAOYSA-N 241.278 2.688 0 40 BFAB Cc1ncsc1C(=O)N1C[C@H](C)C[C@@H](C)C1 40529535 HGTIFLSSBNVNEZ-RKDXNWHRSA-N 238.356 2.570 0 40 BFAB CCOC(=O)N1CCO[C@@H](c2ccccc2C)C1 41395510 AHTUEDVZTOHLLE-CYBMUJFWSA-N 249.310 2.525 0 40 BFAB Cc1cnc(NC(=O)NCc2ccccc2)s1 43386062 JIADZMQSKDJIOK-UHFFFAOYSA-N 247.323 2.773 0 40 BFAB Nc1ncc(C(F)(F)F)cc1-c1cccnc1 47212433 ZVOUMHLFMUESCX-UHFFFAOYSA-N 239.200 2.745 0 40 BFAB CC(C)CC(=O)c1ccc(N(C)C)cc1 49813190 SKXLZVAYRUBNBQ-UHFFFAOYSA-N 205.301 2.981 0 40 BFAB CSCc1noc(-c2cccs2)n1 59352241 GYXDBQRLLVZAHT-UHFFFAOYSA-N 212.299 2.661 0 40 BFAB FC(F)(F)COCCOc1ccccc1 70265774 NNKYUMHAOUNXCR-UHFFFAOYSA-N 220.190 2.644 0 40 BFAB NCCc1ccc(-c2ccccc2F)o1 70452930 QCFCWDMPINBFFF-UHFFFAOYSA-N 205.232 2.587 0 40 BFAB CC(C)c1csc(NC(=O)c2ccccn2)n1 70816655 WYNFZUKWVPJIPX-UHFFFAOYSA-N 247.323 2.914 0 40 BFAB Oc1cc(-c2cccc(Br)c2)no1 71976560 PPFQDHVSVOUACP-UHFFFAOYSA-N 240.056 2.810 0 40 BFAB CC(C)CN1CCCC[C@H]1c1cccnc1O 72212329 XWZOIRUPSXZCJF-ZDUSSCGKSA-N 234.343 2.970 0 40 BFAB CCNc1ccc([C@@H]2CCCCN2C(C)=O)cn1 72213108 ZWPZXNINUIBIDN-ZDUSSCGKSA-N 247.342 2.587 0 40 BFAB COC[C@H](OC)c1ccc(Br)cc1 72220311 LLKSCIWYCZLAJG-JTQLQIEISA-N 245.116 2.783 0 40 BFAB C[C@H]1CCN(C(=O)Nc2cccnc2)[C@H](C)C1 95400067 GJLGBBVJBBFWQW-WDEREUQCSA-N 233.315 2.734 0 40 BFAB COC1(C)CN(c2nc3ccccc3s2)C1 95452440 HBEXGISYPYVJDP-UHFFFAOYSA-N 234.324 2.521 0 40 BFAB Fc1cc(S)ccc1CN1CCSCC1 95738803 WEXHRBUHMYLTMH-UHFFFAOYSA-N 243.372 2.663 0 40 BFAB C[C@H](O)C1(c2cc(F)cc(Cl)c2)CC1 95739157 BWJXDILWMWJHBR-ZETCQYMHSA-N 214.667 2.892 0 40 BFAB Cc1cccc([C@H](C)N[C@]2(C)CCOC2)c1 97038533 OCJPSDZNTNAWHW-GXTWGEPZSA-N 219.328 2.825 0 40 BFAB COc1ccccc1C(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2 100406959 VNLRAFUIJPCGHP-WZRBSPASSA-N 245.322 2.614 0 40 BFAB O=C(Nc1ccsc1)[C@H]1C[C@H]2C=C[C@H]1C2 102729149 NSDHIANDIFKODO-QXEWZRGKSA-N 219.309 2.899 0 40 BFAB COC(=O)CCC(=O)c1ccc(Cl)cc1F 163554638 ZVGHYZCEIOQBRG-UHFFFAOYSA-N 244.649 2.615 0 40 BFAB COc1ccc(C(=O)O)cc1SC(C)C 166794815 BIILTMSGTUFHQT-UHFFFAOYSA-N 226.297 2.894 0 40 BFAB CC(C)(C)CC(=O)N1CCC(F)(F)CC1 200987365 YQAINKWGZCIUGI-UHFFFAOYSA-N 219.275 2.680 0 40 BFAB CCCCn1c(CO)ccc1Cc1ccco1 226031476 WNZMUILTPCWYRK-UHFFFAOYSA-N 233.311 2.964 0 40 BFAB Oc1ccc(CNCc2ccc(F)s2)cc1 256053632 SEQQYKXUSOGXCF-UHFFFAOYSA-N 237.299 2.883 0 40 BFAB Cc1nc([C@@]2(C)CCCN(C)C2)c2sccn12 585178936 YZZMWJYCDIPNLB-ZDUSSCGKSA-N 249.383 2.688 0 40 BFAB Nc1ccc2nccc(OCC(F)(F)F)c2c1 685937844 WJYDOOYGDSWGGZ-UHFFFAOYSA-N 242.200 2.758 0 40 BFAB CC1=N/C(=C/c2ccccc2Cl)C(=O)O1 70597 YLWUTHYVSMAJES-UXBLZVDNSA-N 221.643 2.656 0 40 BFAB CC1(C)OC(=O)N=C1c1ccc(F)cc1 1589454 ACKVHDLIZAWWCY-UHFFFAOYSA-N 207.204 2.544 0 40 BFAB Cc1cc(OCC(=O)O)c(Cl)cc1Cl 1661154 JIPVYKRMJQZZLF-UHFFFAOYSA-N 235.066 2.765 0 40 BFAB in-vitro Clc1ccc(-c2ccc3c(c2)OCCO3)nn1 5016821 IKNRSHFKJFDOKJ-UHFFFAOYSA-N 248.669 2.568 0 40 BFAB Cc1ccc2c(CC(=O)NC3CC3)coc2c1C 8034832 CMSCBDBVHMJEIO-UHFFFAOYSA-N 243.306 2.871 0 40 BFAB Nc1ccc2c(-c3ccccc3)cc(=O)[nH]c2c1 8648305 UMRAZINCLOYNLF-UHFFFAOYSA-N 236.274 2.777 0 40 BFAB CC[C@H]1CCCCN1CCOc1ccccc1N 8703281 KFABZCWDLZSSLT-ZDUSSCGKSA-N 248.370 2.912 0 40 BFAB CCC[C@H](C)C(=O)Nc1cccc(N)c1C 8703440 QDLRIQSUTILROK-VIFPVBQESA-N 220.316 2.952 0 40 BFAB CCNc1nc(Cl)nc2ccccc12 11756451 YFIGAAOCPBNSER-UHFFFAOYSA-N 207.664 2.715 0 40 BFAB CCCCN(CC)[C@@H](C(=O)O)c1ccccc1 11962531 ODWXHGSVGATZRH-CYBMUJFWSA-N 235.327 2.934 0 40 BFAB Cc1nc(-c2ccc(NC(=O)C3CC3)cc2)co1 12894614 JMCPDEQFJNLVQS-UHFFFAOYSA-N 242.278 2.999 0 40 BFAB Cc1cccc(-c2cc3nc[nH]c(=O)c3s2)c1 19797275 NHICOIRNLGUXOI-UHFFFAOYSA-N 242.303 2.960 0 40 BFAB Cc1ccc(O)c(C(=O)N2CCC[C@H](C)C2)c1 19837464 IDMWNILZUZYJRQ-NSHDSACASA-N 233.311 2.573 0 40 BFAB CN[C@H](C)c1ccc(Br)cc1 20264099 TVQBCTRZCIYCJB-SSDOTTSWSA-N 214.106 2.730 0 40 BFAB CC(C)(C)OC(=O)Nc1cccc2c1OCO2 34383279 DMJXLFFMPQLTHE-UHFFFAOYSA-N 237.255 2.762 0 40 BFAB in-vitro Cc1ccc(CNCCOc2ccccn2)s1 35287308 KDDYPPKGELFTNI-UHFFFAOYSA-N 248.351 2.620 0 40 BFAB COc1ccc(Cl)cc1[C@@H](C)C(=O)O 36159107 HCKLGURFMICNOZ-ZCFIWIBFSA-N 214.648 2.537 0 40 BFAB Cc1ccc(C(=O)N[C@H](C)c2ccc(C)o2)o1 36392495 QIIOTTHGSQPLHW-SNVBAGLBSA-N 233.267 2.980 0 40 BFAB O=C(c1ccco1)N1CCC[C@H]1c1ccncc1 36397176 SWRXQWQHTZDTQX-LBPRGKRZSA-N 242.278 2.652 0 40 BFAB COc1cccc(CNc2ccnc(Cl)n2)c1 38579788 WXQASGAEKIKJDM-UHFFFAOYSA-N 249.701 2.751 0 40 BFAB Nc1cccc(C[S@](=O)C2CCCCC2)c1 40971507 WPODKEILCJOICG-MRXNPFEDSA-N 237.368 2.850 0 40 BFAB in-vitro CC(C)(C)c1ccc(-c2n[nH]cc2N)cc1 42415058 JXWDGSUAMWCXKW-UHFFFAOYSA-N 215.300 2.956 0 40 BFAB Nc1nonc1-c1ccc(Cl)c(Cl)c1 49821562 PABLAQMULABYGS-UHFFFAOYSA-N 230.054 2.626 0 40 BFAB in-vitro Cc1cccc(C(=O)Cc2ccncc2)c1 53134100 IUTOFRKFEYTCQU-UHFFFAOYSA-N 211.264 2.815 0 40 BFAB in-vitro C[C@@H](N)c1nc2cc(Cl)c(Cl)cc2[nH]1 62152793 ZCWJKEZMWZLCBF-SCSAIBSYSA-N 230.098 2.889 0 40 BFAB CCO[C@@H](CN)c1ccc(C(F)(F)F)cc1 62711971 REBJGQXEPNIDRT-JTQLQIEISA-N 233.233 2.742 0 40 BFAB Clc1ccc(Cl)c(CO[C@H]2CCNC2)c1 72203605 GFFJMQMPFWQKJB-JTQLQIEISA-N 246.137 2.872 0 40 BFAB Cc1cc(N)ncc1[C@@H]1CCCN1C(C)C 72218499 AYDTXEDZYDJRQQ-LBPRGKRZSA-N 219.332 2.518 0 40 BFAB Cc1ccc(-c2cc(C3(CN)CC3)no2)c(C)c1 72220682 DVJYVJQKOHXTSP-UHFFFAOYSA-N 242.322 2.949 0 40 BFAB Cn1c(C(=O)O)cc2scc(Cl)c21 72226025 KRZPFOVMZORSEG-UHFFFAOYSA-N 215.661 2.591 0 40 BFAB c1cncc(-c2ccnc(C3CCNCC3)c2)c1 72386802 CEOILEKSWIUCQL-UHFFFAOYSA-N 239.322 2.611 0 40 BFAB Cc1nc(-c2nc(-c3ccncc3)cs2)c[nH]1 74942559 ZWHIXHLAYCBALX-UHFFFAOYSA-N 242.307 2.904 0 40 BFAB CC(=O)c1nc(C(F)(F)F)c(C)s1 77588129 MPIJFIFRGNTYNE-UHFFFAOYSA-N 209.192 2.673 0 40 BFAB CCN1C(=O)S/C(=C\Nc2ccccc2)C1=O 96429693 PVGWHHNCDLILBX-NTMALXAHSA-N 248.307 2.655 0 40 BFAB CCS[C@@H]1CCC[C@H]1Nc1nnc(C)s1 96482475 OCNXCLLVGFPVPR-RKDXNWHRSA-N 243.401 2.933 0 40 BFAB N[C@@H]1CCCN(CCCC2CCCCC2)C1 96523557 XWXZLCLTCUMICJ-CQSZACIVSA-N 224.392 2.770 0 40 BFAB Cc1nccn1COC(=O)OC1CCCCC1 97375599 FSAMDIVJSLUKOH-UHFFFAOYSA-N 238.287 2.635 0 40 BFAB S=C(Nc1cccc2ncccc12)NC1CC1 130436619 VPJGIOYLTKQEAJ-UHFFFAOYSA-N 243.335 2.684 0 40 BFAB COc1ccccc1C(=O)NCC1=CCCCC1 223446242 BRDCOHXCVZTQJJ-UHFFFAOYSA-N 245.322 2.925 0 40 BFAB CCC(=O)N(C)c1cccc2cccnc12 252485401 GTZINKOMWFSBGI-UHFFFAOYSA-N 214.268 2.608 0 40 BFAB CC[C@H](C)NC(=O)Nc1ccccc1F 137458 HIINMZWFGXOQJA-QMMMGPOBSA-N 210.252 2.746 0 40 BFAB Cc1cc(O)ccc1NC(=O)CC(C)C 359582 SNFYCZXZXNNKKW-UHFFFAOYSA-N 207.273 2.685 0 40 BFAB COCc1nc2ccccc2n1CC(C)C 1926900 AFEMVFUOYCHITL-UHFFFAOYSA-N 218.300 2.839 0 40 BFAB CCCNC(C)(C)COC(=O)c1ccccc1 2040457 VXJABHHJLXLNMP-UHFFFAOYSA-N 235.327 2.622 0 40 BFAB biogenic,in-man CCOc1c(F)cc2c(C)cc(=O)oc2c1F 2585819 ASMDJZQBUMWFIL-UHFFFAOYSA-N 240.205 2.778 0 40 BFAB CCC[C@H](C)NC(=O)[C@H](C)Oc1ccccc1 2856641 XKBSFTRUJWQJAH-RYUDHWBXSA-N 235.327 2.759 0 40 BFAB Clc1nc(NC2CC2)c2ccccc2n1 3304614 WUJGNXBZGUWNMK-UHFFFAOYSA-N 219.675 2.858 0 40 BFAB C[C@H]1C[C@@H](OC(=O)c2ccccc2)[C@H](C)CN1C 4785793 CFHMFMSIDMLAND-MBNYWOFBSA-N 247.338 2.572 0 40 BFAB CC1(C)CCC[C@]2(C)[C@H]1CC[C@@](C)(O)[C@@H]2CO 4854759 MLWFPIRGSGERCY-CTHBEMJXSA-N 240.387 2.972 0 40 BFAB CC[C@@]1(C)NN=C(c2ccccc2)S1 5954143 LDFPRHROIOPEKW-NSHDSACASA-N 206.314 2.811 0 40 BFAB COC(=O)c1ccc(C)c(-c2ccc(CO)o2)c1 8727665 AGCPOFBNBLVMBR-UHFFFAOYSA-N 246.262 2.534 0 40 BFAB O=C1CCOc2c(Cl)cc(Cl)cc21 12760926 PBMKIOZLCMKUDO-UHFFFAOYSA-N 217.051 2.959 0 40 BFAB in-vitro CCCSCc1ccc(C(=O)O)o1 19869547 HIHKGNGVCOZGFK-UHFFFAOYSA-N 200.259 2.621 0 40 BFAB CCOc1ccc([C@H](C)NC[C@H]2CCCO2)cc1 19963695 GWZHNODLZKJLGW-SWLSCSKDSA-N 249.354 2.915 0 40 BFAB C[C@@H]1CC(=O)c2c(-c3ccccc3)n[nH]c2C1 20153923 UKKNYXXAZJOGIB-VIFPVBQESA-N 226.279 2.842 0 40 BFAB O=C(O)c1cnc(-c2ccc(F)cc2)s1 20444523 CXZKXZHNAVBILQ-UHFFFAOYSA-N 223.228 2.647 0 40 BFAB COC(=O)c1c(C)oc2c1C(=O)CC(C)(C)C2 22126465 UGFFSNCADAMKDT-UHFFFAOYSA-N 236.267 2.530 0 40 BFAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)NC1CC1 22383344 LKICRLLUOHQWDZ-VIFPVBQESA-N 236.290 2.691 0 40 BFAB CC(C)=CC(=O)NCC1(c2ccccc2)CC1 22885294 FHVDNJQMILCAPH-UHFFFAOYSA-N 229.323 2.801 0 40 BFAB COc1ccc(OC)c(NC(=O)C=C(C)C)c1 22928680 SIOULVGQXKBFSI-UHFFFAOYSA-N 235.283 2.609 0 40 BFAB Cc1cc(C(=O)O)ccc1N1CCCCC1 26509867 OBIBPSIFDLNTBF-UHFFFAOYSA-N 219.284 2.684 0 40 BFAB CN(C(=O)c1ccoc1)C1CCCCC1 32841417 WXCDQYFOLKWMSE-UHFFFAOYSA-N 207.273 2.684 0 40 BFAB CCOC(=O)C[C@@]1(C)C=Cc2ccccc2O1 34478136 TVZUBZRXMWKSHF-CQSZACIVSA-N 232.279 2.804 0 40 BFAB C[C@H](C[C@@H]1N[C@H](C(=O)O)CS1)CC(C)(C)C 35572324 VZWJVYMROVOSTA-KXUCPTDWSA-N 245.388 2.565 0 40 BFAB COCCOc1c(Cl)cc(N)cc1Cl 37404550 RBKKLQWVSGXOOJ-UHFFFAOYSA-N 236.098 2.601 0 40 BFAB in-vitro CCc1n[nH]c(-c2ccc(Cl)cc2)n1 40175800 QUXUVVLDTOYDNA-UHFFFAOYSA-N 207.664 2.688 0 40 BFAB COc1cc(F)c([C@@H](O)C(F)(F)F)c(F)c1 40240935 CPQTUCBNFQJCNM-MRVPVSSYSA-N 242.143 2.569 0 40 BFAB COc1ccc(Nc2cc(Cl)ncn2)cc1 40422326 LRIFEKYQZZHNMN-UHFFFAOYSA-N 235.674 2.882 0 40 BFAB CCCC(=O)N1C[C@H](c2ccccc2)O[C@H](C)C1 41421364 GKLSZOUTWOXCQU-TZMCWYRMSA-N 247.338 2.775 0 40 BFAB CC[C@@H]1CCCCN1c1cncc(Cl)n1 42783560 XQSPNJRZTZGASO-SECBINFHSA-N 225.723 2.899 0 40 BFAB CCOC(=O)CCC(=O)c1sccc1C 43214426 HGQZIAJXHYVOMG-UHFFFAOYSA-N 226.297 2.583 0 40 BFAB CCOC(=O)CCNC(C)(C)CC(C)(C)C 50878086 WBRREGKJVIJXSO-UHFFFAOYSA-N 229.364 2.744 0 40 BFAB CCCNc1c(C(C)=O)c(=O)oc2ccccc12 62716629 IDBIBJFTKWDFGP-UHFFFAOYSA-N 245.278 2.818 0 40 BFAB C[C@@H]1Oc2ccccc2CN(C2CCCC2)C1=O 64542465 AXOLQVMNOJSJJG-NSHDSACASA-N 245.322 2.739 0 40 BFAB CCCN1Cc2cccc(NC(=O)C3CC3)c2C1 66515052 JYKXWMIXDIESDD-UHFFFAOYSA-N 244.338 2.761 0 40 BFAB CN(C)c1nccnc1-c1ccc2[nH]ccc2c1 67587398 OSRNJJKFBVPJKG-UHFFFAOYSA-N 238.294 2.691 0 40 BFAB CCOc1ccc2cc(C(=O)O)n(CC)c2c1 67799289 QGUIAENGXWOKQQ-UHFFFAOYSA-N 233.267 2.758 0 40 BFAB CCCCC[C@@H](C)NC(=O)CCCCN(C)C 69375670 WAKGMTYGNVYQAV-CYBMUJFWSA-N 242.407 2.803 0 40 BFAB CC(=O)c1oc(-c2ccc(F)cc2)nc1C 77600062 PLKOBBRWFQEHNQ-UHFFFAOYSA-N 219.215 2.992 0 40 BFAB O=c1[nH]ccc2ccc(Cl)c(Cl)c12 85386221 UVIRUBJNBMRZTG-UHFFFAOYSA-N 214.051 2.835 0 40 BFAB COc1cc(OC(F)(F)F)ccc1C 91252036 XYFKOVVUHAFOSZ-UHFFFAOYSA-N 206.163 2.902 0 40 BFAB COc1c(Cl)ccc(/C=C/C(=O)O)c1F 91252117 RBQIGCSSGNRGJR-HWKANZROSA-N 230.622 2.586 0 40 BFAB C[C@H](CNC[C@@H]1CCC[C@H](C)C1)C[C@@H](C)O 92566244 UFEFJKVUUPTTKU-IGQOVBAYSA-N 227.392 2.809 0 40 BFAB COC(=O)c1cc(N)c(C)c(OCC2CCC2)c1 95095519 JYPDMCNFRWZECL-UHFFFAOYSA-N 249.310 2.543 0 40 BFAB CCCCCOc1cccc(CCO)c1 95730568 PWJPKPGLXFGRPM-UHFFFAOYSA-N 208.301 2.790 0 40 BFAB O=NC1=C(NO)c2cccc3cccc1c23 100799253 DFVXPXWNTZFHIV-UHFFFAOYSA-N 212.208 2.724 0 40 BFAB CC(C)c1ccccc1OCCNC(=O)C1CC1 110508962 DZOLYQPEXQYHNL-UHFFFAOYSA-N 247.338 2.715 0 40 BFAB CC(=O)c1cc(N(C)C)ccc1Br 675082996 WFOLHBHLOUCJGY-UHFFFAOYSA-N 242.116 2.718 0 40 BFAB O=C(O)c1ccc2c(F)c(Cl)ccc2n1 1690143414 LVHYITBDHWMNDG-UHFFFAOYSA-N 225.606 2.726 0 40 BFAB O=C(Nc1ccc2c(c1)OCO2)c1ccccc1 341631 CYJTVYOFIOTBFR-UHFFFAOYSA-N 241.246 2.668 0 40 BFAB COc1ccccc1NC1=NC[C@H](C)S1 1644586 OJTALSOHXZUQRZ-QMMMGPOBSA-N 222.313 2.598 0 40 BFAB in-vitro CCCCOC(=O)O[C@@H](C)C(=O)OCCCC 1698704 XOCVAKNKZYRMDE-JTQLQIEISA-N 246.303 2.672 0 40 BFAB F/C(=C(/F)C(F)(F)F)[C@@H]1CCCO1 2530894 JTJSDRZZJRJZSL-RTNQAQHFSA-N 202.122 2.878 0 40 BFAB c1cnc2c(CN3CCCC3)cccc2c1 3182506 IIHMQAUSZROEBV-UHFFFAOYSA-N 212.296 2.831 0 40 BFAB COc1cc(C)c(NC(=O)[C@@H]2C[C@H]2C)cc1OC 5616890 CAUMHHMSEMESFJ-PSASIEDQSA-N 249.310 2.607 0 40 BFAB CCCCCC[C@H]1C(=O)CC[C@H]1C(=O)OC 5820493 IPWBXORAIBJDDQ-GHMZBOCLSA-N 226.316 2.725 0 40 BFAB CC(=O)c1ccccc1NC(=O)c1cccnc1 19478290 UXTFMNPOJWDPSI-UHFFFAOYSA-N 240.262 2.537 0 40 BFAB NCCc1ccc(OC2CCCCC2)cc1 20210252 ROOOJJJHOJAACG-UHFFFAOYSA-N 219.328 2.899 0 40 BFAB CC(C)O[C@@H]1OCN(C(C)(C)C)CC1(C)C 31749936 VQDNQEWMNSQLIJ-NSHDSACASA-N 229.364 2.852 0 40 BFAB Oc1ccccc1[C@@H](O)Cc1ccccc1 34069195 OQOCSCWMMZVDHS-AWEZNQCLSA-N 214.264 2.668 0 40 BFAB CNCc1ccc(OC2CCCC2)c(OC)c1 34816900 IBLGZIWKFMRAGE-UHFFFAOYSA-N 235.327 2.736 0 40 BFAB Cn1c(Cl)cnc1CNc1ccccc1F 36804499 ONXDZMDHADBBBZ-UHFFFAOYSA-N 239.681 2.825 0 40 BFAB CSCC(=O)c1c(F)cccc1F 38064033 ASPBPGRBWYPHQO-UHFFFAOYSA-N 202.225 2.511 0 40 BFAB C[C@H](C1CC1)N(C)C(=O)c1cccs1 40490144 TYEGCYBQPUDAEE-MRVPVSSYSA-N 209.314 2.619 0 40 BFAB NC1(c2ccccc2C(F)(F)F)CCOCC1 63077097 GUINCQWIDASQKR-UHFFFAOYSA-N 245.244 2.670 0 40 BFAB CC[C@H](COC)N[C@H](C)C1CCCCC1 70656773 BOIHZOOPSADPLT-DGCLKSJQSA-N 213.365 2.970 0 40 BFAB Cc1noc([C@H](C)SCc2cc(C)on2)n1 71818636 HZNACRXNSDJWME-ZETCQYMHSA-N 239.300 2.669 0 40 BFAB CCOc1ncccc1[C@@H]1CCCCN1C 72211853 VHUAAWYMKMQILA-LBPRGKRZSA-N 220.316 2.637 0 40 BFAB CC(C)N1CCCC[C@H]1c1ccc(N)nc1 72212381 LSKYTWZYNWVZJE-LBPRGKRZSA-N 219.332 2.599 0 40 BFAB Clc1ccc(CNc2ccon2)cc1 83345596 ULBZYGZNEJFQGM-UHFFFAOYSA-N 208.648 2.940 0 40 BFAB Cc1ccc(F)cc1[C@@H](O)c1cccn1C 95727822 XNBJLQJFZSPPPE-CYBMUJFWSA-N 219.259 2.554 0 40 BFAB CC(C)CN1c2ccccc2CC[C@@H]1C(=O)O 96510394 TWOYZFMMQGIAIY-CYBMUJFWSA-N 233.311 2.548 0 40 BFAB CC(=O)c1ccc(OC[C@H]2CC2(F)F)cc1 96515602 AXDUCJHMVKGJMJ-SNVBAGLBSA-N 226.222 2.923 0 40 BFAB CS[C@@H]1C(=O)Nc2ccc(Cl)cc21 100946160 TWWINSCIZJKYJM-QMMMGPOBSA-N 213.689 2.696 0 40 BFAB Oc1c2c(nn1Cc1ccccc1)CCCC2 102035117 GNZODPRJRHKOGK-UHFFFAOYSA-N 228.295 2.516 0 40 BFAB Cc1cc(CO)ccc1NC(=O)OC(C)(C)C 197991563 WBMNVRSLVSIJQG-UHFFFAOYSA-N 237.299 2.834 0 40 BFAB CCC(=O)n1c(C)c(C(=O)O)c2ccccc21 216949083 PKJYTRWNCAVTOR-UHFFFAOYSA-N 231.251 2.698 0 40 BFAB CCCNCc1cccn1-c1cccc(OC)c1 223688394 SJPTWCQIKFJQBF-UHFFFAOYSA-N 244.338 2.986 0 40 BFAB CCOC(=O)c1ccc(OC)c(-n2cccc2)c1 226244736 KGLQKURYCRPVAC-UHFFFAOYSA-N 245.278 2.663 0 40 BFAB CCOC(=O)c1cc(NC)ccc1N1CCCC1 226276278 KGWLPWBRRPUCTI-UHFFFAOYSA-N 248.326 2.505 0 40 BFAB C[C@H](N)[C@H]1C[C@H]1c1c(F)cccc1Cl 242463376 CZKQSLLXAYNKFM-XLPZGREQSA-N 213.683 2.930 0 40 BFAB COc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 75776 YXADNHMHAQGLNJ-VXGBXAGGSA-N 247.338 2.813 0 40 BFAB COC(=O)c1c(O)cn(-c2ccc(C)cc2)c1C 446167 OYUCROQLKSJOIU-UHFFFAOYSA-N 245.278 2.586 0 40 BFAB CC1=C[C@@H](C)C2(COC(C)OC2)[C@@H](C)C1 517781 BAYLCXARJZNKOL-IALDZJHCSA-N 210.317 2.988 0 40 BFAB biogenic Cc1cc(-c2nc3cc(N)ccc3o2)ccc1N 529895 GPPRSYPWUXZPFA-UHFFFAOYSA-N 239.278 2.968 0 40 BFAB CSc1ncc2c(n1)-c1ccccc1OC2 1651222 ZDJXZULJMICPSU-UHFFFAOYSA-N 230.292 2.758 0 40 BFAB COc1ccc(C2O[C@H](C)C[C@@H](C)O2)cc1 1874322 FGAWKPCAKYSBJV-NXEZZACHSA-N 222.284 2.908 0 40 BFAB Cc1ccc(C)c(Nc2ncnc3[nH]cnc23)c1 2719599 ZUVJVTUTNSBUKC-UHFFFAOYSA-N 239.282 2.713 0 40 BFAB FC(F)OC(Cl)(Cl)C(F)(F)F 4329296 BBYDKNMVRSODJU-UHFFFAOYSA-N 218.936 2.919 0 40 BFAB in-vitro CCN(C(=O)[C@H]1CCCO1)c1ccccc1C 4815696 UDATYNCUFLSCOZ-CYBMUJFWSA-N 233.311 2.527 0 40 BFAB CC[C@@H](C)C(=O)N[C@@H](C)c1ccccc1 5593225 VOZIYZAFDNZVQF-MNOVXSKESA-N 205.301 2.910 0 40 BFAB C[C@H]1c2ccccc2N=C2S[C@H](C)C(=O)N21 5723604 IYPZCHGAHYHJJG-JGVFFNPUSA-N 232.308 2.713 0 40 BFAB COC(=O)c1cccc(-n2cccc2)c1C 7277617 CBDNKLWIKAIBMQ-UHFFFAOYSA-N 215.252 2.572 0 40 BFAB Cc1cc(Cl)nc(-c2ccncc2)n1 8700462 ZSRSIZQAKUIMTE-UHFFFAOYSA-N 205.648 2.500 0 40 BFAB in-vitro C[C@H](C1CC1)N(C)c1ncnc2sccc12 12552872 FDQLCOORJAVABE-MRVPVSSYSA-N 233.340 2.926 0 40 BFAB COc1cccc(NC(=O)N2CCC[C@H](C)C2)c1 13048368 GJHWBPNYAUULQF-NSHDSACASA-N 248.326 2.959 0 40 BFAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc(F)c(F)c1F 15002888 KGRUTMGZAZREQL-RITPCOANSA-N 229.201 2.698 0 40 BFAB OCc1ccc(-c2nc3ccccc3o2)cc1 16545320 BQKZFFYLVOZEPO-UHFFFAOYSA-N 225.247 2.987 0 40 BFAB c1ccc2c(c1)N=NCN2N1CCCCC1 16768539 DQRBBLUGPQCYSE-UHFFFAOYSA-N 216.288 2.949 0 40 BFAB COc1ccccc1NC(=O)N(C)[C@@H](C)C1CC1 25511694 IOFVOEWBTHUHFU-JTQLQIEISA-N 248.326 2.957 0 40 BFAB O[C@@H]1CCC[C@H]1N1CCC(c2ccccc2)CC1 28233315 ZCHXQEYBMVFQQT-HZPDHXFCSA-N 245.366 2.779 0 40 BFAB C[C@@H]1CCc2c(C(=O)N3CCC3)csc2C1 32721247 ICPFMKBREADMPN-SECBINFHSA-N 235.352 2.719 0 40 BFAB NC[C@@H](Nc1ccccc1)c1ccccc1 34481803 XDJPCFMMGYZWIQ-CQSZACIVSA-N 212.296 2.799 0 40 BFAB CNCc1ccccc1OC1CCCC1 34658485 GWTFRDFFMQLXTD-UHFFFAOYSA-N 205.301 2.727 0 40 BFAB C/C(=C\c1ccc(Br)o1)[N+](=O)[O-] 34984414 NTCSJAIZGNPUBU-SNAWJCMRSA-N 232.033 2.680 0 40 BFAB CCO[C@@H](C)C(=O)Nc1ccccc1Cl 40523218 UUOPHPJKQBTGFH-QMMMGPOBSA-N 227.691 2.704 0 40 BFAB Cc1ccc(Oc2ccc(C(=O)O)cc2)nc1 42415468 UGLLTAOCFRWVDZ-UHFFFAOYSA-N 229.235 2.881 0 40 BFAB COc1ccc(COCC[C@@H]2CCCNC2)cc1 42774064 PPZUTNKVFOISMG-ZDUSSCGKSA-N 249.354 2.602 0 40 BFAB CCC(=O)N[C@H]1CCCc2ccccc21 44443077 LGJZXTSRRXADSU-LBPRGKRZSA-N 203.285 2.590 0 40 BFAB CC[C@@H](C)NC(=O)CCOc1ccccc1F 46463895 WDXQUCCEZGBJQJ-SNVBAGLBSA-N 239.290 2.509 0 40 BFAB C[C@@H](CN)Cc1ccccc1Br 52946713 KMLUVNIXDFXQKC-MRVPVSSYSA-N 228.133 2.586 0 40 BFAB OC[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 62720366 CUHAGPDZUGMJIR-WPRPVWTQSA-N 216.202 2.801 0 40 BFAB CC(C)CNC(=O)Nc1ccccc1N(C)C 69445446 BJLSTUXHLDLYRW-UHFFFAOYSA-N 235.331 2.530 0 40 BFAB CC[C@H](O)c1cnc(Br)c(C)c1 72221916 KNCCEOKMPCZTOS-QMMMGPOBSA-N 230.105 2.596 0 40 BFAB CC[C@H](O)c1cnc(NC(C)C)c(C)c1 72221966 ZBCVSNYKULEWNI-NSHDSACASA-N 208.305 2.654 0 40 BFAB Nc1ccc(-c2nc3cnccc3s2)cc1 75877847 TWDOTIGBDLWMGM-UHFFFAOYSA-N 227.292 2.941 0 40 BFAB CCCCn1c(C)cc(CC)c1C(=O)O 78405383 IOYJDVAGHSPVPI-UHFFFAOYSA-N 209.289 2.857 0 40 BFAB CCCCCOc1cc(CCO)ccc1F 95732067 CZALPDRPHZKYNX-UHFFFAOYSA-N 226.291 2.930 0 40 BFAB COc1ccc(OCCCn2ccc(C)n2)cc1 97103808 DOSUOGYHLGSVEW-UHFFFAOYSA-N 246.310 2.669 0 40 BFAB COCCCn1ccc(-c2ccccc2)n1 97114855 GNWKSDDZYXSSCN-UHFFFAOYSA-N 216.284 2.587 0 40 BFAB Cc1nc(-c2ccc(F)cc2)c(N)n1C1CC1 100761323 FQWRIRPBZYJMLM-UHFFFAOYSA-N 231.274 2.915 0 40 BFAB CC1CCC(NC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)CC1 102249649 CDIIOWYEMHGKAH-WHWAKUBCSA-N 233.355 2.894 0 40 BFAB CC(C)O[C@H](CO)Cc1ccc(Cl)cc1 165564250 MDFJHYNXJDBYFI-LBPRGKRZSA-N 228.719 2.668 0 40 BFAB COc1ccc(-c2ccn[nH]2)cc1Cl 205504088 GZWSEDCEDDKXDB-UHFFFAOYSA-N 208.648 2.739 0 40 BFAB C[C@@H]1NCc2ccc(Br)cc21 220170445 IBIGOVJFWZFPET-LURJTMIESA-N 212.090 2.613 0 40 BFAB CCCNc1ccc(C(=O)OCCC)cc1N 225405695 HCUOEJPLJHTVJO-UHFFFAOYSA-N 236.315 2.658 0 40 BFAB CCc1ccc([C@@H](O)c2ccc(N)cc2)cc1 226292836 ZRDCXVHSEDQIDC-OAHLLOKOSA-N 227.307 2.913 0 40 BFAB CC(=O)Oc1ccc(-c2cc(C)ccc2C)nn1 408532537 ZLCQFLDQLQCBLJ-UHFFFAOYSA-N 242.278 2.686 0 40 BFAB O=C(O)c1ccnc(Cc2cccc(F)c2)c1 585163714 MZUWYOBIORRSEX-UHFFFAOYSA-N 231.226 2.510 0 40 BFAB O=[S@@]12=Nc3c(ccnc3Cl)[C@@H]1CCC2 1503350638 XLUXPCPMSYMZTL-JKYUHCHBSA-N 228.704 2.683 0 40 BFAB CC(C)(C)[C@]1(C)Oc2cccc(O)c2O1 345585 QKBYZSNVIUNUAD-GFCCVEGCSA-N 208.257 2.926 0 40 BFAB NC(=O)c1cccnc1Nc1ccccc1Cl 481286 ZKRKZJWVTGZJPI-UHFFFAOYSA-N 247.685 2.578 0 40 BFAB COc1cccc([C@H]2CCCC[C@@H]2O)c1 1765736 MXBZVUAIQKNHIE-OLZOCXBDSA-N 206.285 2.714 0 40 BFAB CCOC(=O)Nc1ncc(Cl)cc1Cl 3231456 DVKMKTUWBCXHAH-UHFFFAOYSA-N 235.070 2.957 0 40 BFAB COc1ccc(OC)c([C@H]2CCCCN2)c1 3734676 LBTQGYXODREEQW-GFCCVEGCSA-N 221.300 2.518 0 40 BFAB O[C@@]1(c2ccccc2)Cc2cccc(F)c21 3848054 CDNYVSPHZAMBCI-CQSZACIVSA-N 214.239 2.618 0 40 BFAB biogenic CC(C)=C1N=C(c2ccc(Cl)cc2)OC1=O 5001127 UBDIHZIEZPUGDG-UHFFFAOYSA-N 235.670 2.937 0 40 BFAB CC[C@@H](C)NC(=O)/C=C/c1cccs1 5447483 QGOXWQRHIFKHEA-XCODYQFDSA-N 209.314 2.676 0 40 BFAB Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCCO1 6278542 FLVMCWCPQUIHLQ-NSHDSACASA-N 239.702 2.766 0 40 BFAB COc1ccc2oc(C(=O)NC3CC3)c(C)c2c1 7969129 TYAHPELQGOQPRQ-UHFFFAOYSA-N 245.278 2.642 0 40 BFAB Cc1ccccc1[C@@H]1CCCN1CCC(=O)O 12398734 HORNFGWOGGJQJS-ZDUSSCGKSA-N 233.311 2.607 0 40 BFAB CCNC(=O)Nc1nc2ccc(F)cc2s1 12592703 SYIJVHYVIUFYBL-UHFFFAOYSA-N 239.275 2.577 0 40 BFAB COc1cc(C)ccc1-c1csc(N)n1 14102514 SWCTXQNKIUVNRV-UHFFFAOYSA-N 220.297 2.709 0 40 BFAB Cc1cccc(O[C@@H](C)C(=O)NCCC(C)C)c1 14396905 UEHYQQQKYOXJHB-ZDUSSCGKSA-N 249.354 2.925 0 40 BFAB Cc1cc(=S)nc(-c2ccccn2)[nH]1 15924404 XFIHRBLXXUILBX-UHFFFAOYSA-N 203.270 2.510 0 40 BFAB C[C@@H](N)c1ccc(OCc2cccnc2)cc1 19258553 KETPVJFWOHNYIN-LLVKDONJSA-N 228.295 2.680 0 40 BFAB Fc1cccc(CNc2ccccn2)c1 19772622 RSZUKMLGWHHWEY-UHFFFAOYSA-N 202.232 2.833 0 40 BFAB Cc1ccc(C)c(CC(=O)N2CCCCC2)c1 20111047 KIROFXPHCUIAEK-UHFFFAOYSA-N 231.339 2.858 0 40 BFAB c1ccc2c([C@H]3CCCNC3)c[nH]c2c1 23509188 NSTKAVLBVZXAHE-JTQLQIEISA-N 200.285 2.635 0 40 BFAB in-vitro C=C1c2ccccc2NC(=O)N1C[C@@H]1CCCO1 25060734 WRUZACDDHTYXFD-NSHDSACASA-N 244.294 2.684 0 40 BFAB CC1=Nn2c(nnc2-c2ccccc2)S[C@@H]1C 32604236 KPPLGXWTVKJCRS-SECBINFHSA-N 244.323 2.663 0 40 BFAB O=C(c1ccccn1)N1CCC[C@@H]2CCCC[C@@H]21 32819471 XFQBZGGPDQQECT-JSGCOSHPSA-N 244.338 2.876 0 40 BFAB C[C@H](SC1CCCC1)C(=O)N1CCCC1 33045914 ULVRSUHQZKSPIS-JTQLQIEISA-N 227.373 2.673 0 40 BFAB O=S(=O)(C1=C[C@@H]2C=C[C@H]1C2)c1ccccc1 34204448 ZEZUTCANYHGFRE-MNOVXSKESA-N 232.304 2.550 0 40 BFAB CCOC(=O)CCCCc1cccc(O)c1 34496992 MSZNDQUJXKRRGN-UHFFFAOYSA-N 222.284 2.668 0 40 BFAB CC(C)(C)c1nnc(NCc2ccccc2)o1 35077395 WJOYQXWIPFHLOK-UHFFFAOYSA-N 231.299 2.979 0 40 BFAB COC(=O)CCNc1cccc(C(F)(F)F)c1 36671128 MQRAEDXQXQWATH-UHFFFAOYSA-N 247.216 2.680 0 40 BFAB CCN[C@@H](C(=O)O)c1cc(Cl)cc(Cl)c1 37425047 DLIDNAYYJTXVSF-SECBINFHSA-N 248.109 2.729 0 40 BFAB in-vitro CC(=O)c1cccc(OCC(F)F)c1 37755993 DMKOIFPLSYDILW-UHFFFAOYSA-N 200.184 2.533 0 40 BFAB C[C@@H](NCCn1cccn1)c1ccc(Cl)cc1 42538702 RCWBVHHMSGFFKC-LLVKDONJSA-N 249.745 2.887 0 40 BFAB CC(=O)c1ccc(OCCC2CCNCC2)cc1 42771452 GBBMPCPBCWFFMR-UHFFFAOYSA-N 247.338 2.658 0 40 BFAB CCCC(=O)Nc1[nH]nc(-c2ccncc2)c1C 58341986 BUYAXRYRTPINNU-UHFFFAOYSA-N 244.298 2.519 0 40 BFAB CCC(=O)N1CCC[C@@H]1Cc1ccccc1OC 58404551 DDJLQKBPLQJRTC-CYBMUJFWSA-N 247.338 2.639 0 40 BFAB C[C@H](Cc1ccccc1)n1cccc1C(=O)O 62190620 KKMIUDPARJGYMX-LLVKDONJSA-N 229.279 2.990 0 40 BFAB in-vitro Nc1ncccc1C(=O)c1cccc(Cl)c1 69844541 NWKIUJMHRCDZMA-UHFFFAOYSA-N 232.670 2.548 0 40 BFAB in-vitro COC(=O)Cc1ccc([C@H](OC)C(C)C)cc1 72220182 YLERBEUBICEGGV-CQSZACIVSA-N 236.311 2.746 0 40 BFAB CC(C)Nc1nc(Cl)cc(Cl)n1 72221235 FPHWROSQEFDOMM-UHFFFAOYSA-N 206.076 2.604 0 40 BFAB CCOc1ccccc1C(=O)N[C@H](C)C(C)C 72622054 LMXNKHURGRBNFQ-LLVKDONJSA-N 235.327 2.860 0 40 BFAB O=C(C=C1CCCCC1)NCc1ccc[nH]1 74123610 WJFTZGREZAEJOB-UHFFFAOYSA-N 218.300 2.521 0 40 BFAB Cc1cc(C)cc(NC(=O)[C@@H]2CCCN(C)C2)c1 82322887 CNLSHHRDAWEPFH-CYBMUJFWSA-N 246.354 2.584 0 40 BFAB Brc1cc2c(s1)CCCNC2 84305698 NDLOBGGONRHMDX-UHFFFAOYSA-N 232.146 2.546 0 40 BFAB FC(F)(Sc1ccccc1)c1nnco1 85397054 DHIRZFJCSZHLAS-UHFFFAOYSA-N 228.223 2.911 0 40 BFAB COc1ccc(F)c(NCc2cncs2)c1 87287067 JFHSOUHWKNSZAY-UHFFFAOYSA-N 238.287 2.903 0 40 BFAB Cc1ccc2cc(CN)c(Cl)nc2c1C 89261971 FWSAPYYXAZODGS-UHFFFAOYSA-N 220.703 2.964 0 40 BFAB CCc1nccn1Cc1ccccc1F 95394118 NUHLZNKPCTXUFA-UHFFFAOYSA-N 204.248 2.633 0 40 BFAB CCc1nc(-c2ccncc2)sc1C(=O)OC 95431569 LIOYAZSBDQGIMX-UHFFFAOYSA-N 248.307 2.554 0 40 BFAB CCN(CC(F)(F)F)C(=O)C(C1CC1)C1CC1 95978633 RFAXMVPZKGVHHT-UHFFFAOYSA-N 249.276 2.833 0 40 BFAB c1ccc(CN2CCC[C@]3(CCCCN3)C2)cc1 96985141 ROBNYLCIUULIJV-MRXNPFEDSA-N 244.382 2.795 0 40 BFAB CCC[C@H](C)C(=O)OCCCc1ccncc1 97044162 WIFILABGPQGTAQ-LBPRGKRZSA-N 235.327 2.994 0 40 BFAB C[C@H]1COC[C@H](C)N1C(=O)CC1=CCCCC1 98012943 FAERIPLOYBJPBX-RYUDHWBXSA-N 237.343 2.513 0 40 BFAB C1=C[C@H]2C[C@H]1C[C@H]2CNCc1ccco1 100002041 HLSOEDHCUUNGPI-SRVKXCTJSA-N 203.285 2.581 0 40 BFAB O=C(Nc1ccccc1)[C@@H]1C[C@H]2C=C[C@H]1C2 104106357 XGBHRXNRYYODNV-GMXVVIOVSA-N 213.280 2.837 0 40 BFAB CC(=O)n1ncc2sc(Br)cc21 116697583 ONRCUSFGTGNYIE-UHFFFAOYSA-N 245.101 2.520 0 40 BFAB CC(C)CCC(=O)Oc1ccc(CO)cc1 199561435 DJWZYDIGSARZDK-UHFFFAOYSA-N 222.284 2.521 0 40 BFAB CC(C)CCO[C@@H]1CN[C@H](CC(C)C)C1 217860635 BUMMCWGQGWTXCH-OLZOCXBDSA-N 213.365 2.826 0 40 BFAB Cc1ccccc1C[C@H](OCC(C)C)C(=O)O 220687122 OIUVVGWHOQTYBK-ZDUSSCGKSA-N 236.311 2.663 0 40 BFAB CC[C@@H](C)N1CCN(C[C@@H]2C[C@@H]3C=C[C@@H]2C3)CC1 222216497 GZCRAGOTMUZNSI-FPCVCCKLSA-N 248.414 2.615 0 40 BFAB COC(=O)C12CC(c3ccc(Cl)cc3)(C1)C2 258837727 USSCQIBSWVQYRK-UHFFFAOYSA-N 236.698 2.935 0 40 BFAB CC(=O)NCc1ccc(-c2ccsc2)o1 575605113 LZMCKIVQORISHK-UHFFFAOYSA-N 221.281 2.644 0 40 BFAB O=C(Nc1ccccc1F)N1CC[C@H](CF)C1 877912826 ANUXWSQDHVAFNH-SECBINFHSA-N 240.253 2.649 0 40 BFAB CC(C)(CNC(=O)C1CCC1)c1ccsc1 1565519463 UXPVEDOKTPZCCE-UHFFFAOYSA-N 237.368 2.942 0 40 BFAB COc1cccc(C=O)c1-c1cccnc1 1857780961 SAKWEPQFJQNHEV-UHFFFAOYSA-N 213.236 2.570 0 40 BFAB CC(=O)N(Cc1ccccc1)c1ccccn1 30085 VXSDIASFKMKUEH-UHFFFAOYSA-N 226.279 2.635 0 40 BFAB Cc1ccc2c(C(=O)CN(C)C)c(C)[nH]c2c1 117507 FNPGKNANOFATFU-UHFFFAOYSA-N 230.311 2.529 0 40 BFAB O=C(CCC1CCCC1)NCc1ccccn1 362241 YFVFTSJRJVJQSB-UHFFFAOYSA-N 232.327 2.668 0 40 BFAB C[C@H]1C[C@@H](O)c2cc(Br)ccc2N1 517841 USYQORVUJKRYHT-QUBYGPBYSA-N 242.116 2.687 0 40 BFAB biogenic Cc1nc2ccc(F)cc2cc1C(=O)NC(C)C 536919 ALCJNHSDAFWHGK-UHFFFAOYSA-N 246.285 2.821 0 40 BFAB CC(=O)CCN(C)[C@H](C)Cc1ccccc1 1667116 BLNTYGUDWBLSNZ-GFCCVEGCSA-N 219.328 2.529 0 40 BFAB O=CN(CCNc1ccccc1)c1ccccc1 1711770 TYZQPNWIYCABIB-UHFFFAOYSA-N 240.306 2.762 0 40 BFAB Nc1cccc(NC(=O)Nc2ccccc2)c1 1732203 HEPNAISIYKJLIZ-UHFFFAOYSA-N 227.267 2.913 0 40 BFAB in-vitro NOCOCC1c2ccccc2-c2ccccc21 3851735 ZMNBDWUBBXGMTR-UHFFFAOYSA-N 241.290 2.663 0 40 BFAB biogenic O=C1NC2(CCCC2)N=C1c1ccc(Cl)cc1 4434771 WILCDRIUYQOBOS-UHFFFAOYSA-N 248.713 2.529 0 40 BFAB Cc1cc(C)n(C(=O)c2ccc(C)c(C)c2)n1 6278170 PFOLYTAWVVAMPE-UHFFFAOYSA-N 228.295 2.805 0 40 BFAB O=C(Nc1cccc2cccnc12)C1CCC1 8747905 GOQLTNHGTNLZET-UHFFFAOYSA-N 226.279 2.973 0 40 BFAB C[C@H]1CCCCN1CCOc1cccc(C=O)c1 9261371 RBAGCJNEWBKCOX-ZDUSSCGKSA-N 247.338 2.752 0 40 BFAB CCC(=O)NCc1csc(-c2ccccc2)n1 15832427 IOFUPGVFLVJALJ-UHFFFAOYSA-N 246.335 2.836 0 40 BFAB O=C(Nc1cccc2ccccc12)n1cncn1 16545033 FGHCTPKIUNECBL-UHFFFAOYSA-N 238.250 2.512 0 40 BFAB Cc1cc(N2C[C@H](C)O[C@H](C)C2)nc(C(C)C)n1 17885766 BHGVTJFROQCXLB-TXEJJXNPSA-N 249.358 2.522 0 40 BFAB CCOC(=O)/C=C1/CSc2ccccc2N1 18029233 ZVUNXUBYWPNSIE-CLFYSBASSA-N 235.308 2.651 0 40 BFAB CN(Cc1ccccc1)c1ccccc1N 19394713 SFRQUJMDLVKDIY-UHFFFAOYSA-N 212.296 2.905 0 40 BFAB in-vitro CC(=O)c1ccc(OCC(F)(F)F)c(F)c1 19871241 UPWCLYKAQJPDBN-UHFFFAOYSA-N 236.164 2.969 0 40 BFAB COc1ccccc1[C@@H](C)NC[C@H]1CCCO1 19963510 JOWYGUNQOPNQSW-VXGBXAGGSA-N 235.327 2.525 0 40 BFAB Cc1c(Br)c(N)nn1C1CCCC1 20313731 TZZRDPBUSTWPEJ-UHFFFAOYSA-N 244.136 2.651 0 40 BFAB COc1cccc(-c2cnc(Cl)cn2)c1 22115901 RYUQOLKFGQMJHB-UHFFFAOYSA-N 220.659 2.806 0 40 BFAB NCc1ccc(COCc2ccccc2)cc1 22214626 JIOYDYXYKZIUOM-UHFFFAOYSA-N 227.307 2.862 0 40 BFAB in-vitro C/N=c1\sc(C)c(-c2ccc(OC)cc2)n1C 23386348 NDLRBVDEOJCWRT-YPKPFQOOSA-N 248.351 2.601 0 40 BFAB NCc1cccc(N2CCCCCC2)c1 32010384 DDLZIAOISXHHCP-UHFFFAOYSA-N 204.317 2.526 0 40 BFAB CNC[C@H](OC)c1ccc(C(F)(F)F)cc1 34062808 UICBGUOBHTYPNV-JTQLQIEISA-N 233.233 2.612 0 40 BFAB CC[C@H](C)NC(=O)[C@H]1C[C@H](C)Nc2ccccc21 34651208 RMFKCPZVZSAUNM-GVXVVHGQSA-N 246.354 2.889 0 40 BFAB in-vitro CCCc1nc2cc(C(=O)O)ccc2n1CC 36893549 LOAJDSSEANYCBX-UHFFFAOYSA-N 232.283 2.707 0 40 BFAB O=C1CCSc2c(F)cc(F)cc21 37382008 PZYVMGWKGUNBNK-UHFFFAOYSA-N 200.209 2.643 0 40 BFAB O=C(CCc1ccsc1)NCC1CCCC1 40074447 DHHWGUGAEZIOBJ-UHFFFAOYSA-N 237.368 2.987 0 40 BFAB CCOc1cccc(-c2nc(CN)c(C)o2)c1 41258730 FYNZGYXSSBVSMF-UHFFFAOYSA-N 232.283 2.507 0 40 BFAB Cc1cccc(CNC(=O)NCc2ccco2)c1 45112561 PRFHARNESZVYMF-UHFFFAOYSA-N 244.294 2.587 0 40 BFAB CCOC(=O)[C@](C)(O)c1cccc2ccccc12 50975413 FBYUEYAEBRPFCT-OAHLLOKOSA-N 244.290 2.610 0 40 BFAB COc1ccc([C@](C)(O)C(C)C)cc1OC 55191973 VBBNELSKPFMPAN-CYBMUJFWSA-N 224.300 2.567 0 40 BFAB CC(=O)N1CCC[C@@H]1Cc1ccccc1Cl 55524117 HLRMXIMGJPUMPJ-GFCCVEGCSA-N 237.730 2.893 0 40 BFAB CCN1CCC[C@H]1c1ccc(OC)cc1OC 57621221 KYEJFWGGZLUSEC-ZDUSSCGKSA-N 235.327 2.861 0 40 BFAB CCc1ccc([C@H](C)NC(=O)C[C@H](C)OC)cc1 58210425 ADCRDQNJSQIFSC-RYUDHWBXSA-N 249.354 2.851 0 40 BFAB CCc1ccc([C@H](CNC)OC(C)C)cc1 62711743 LHDLYCLPSRNDBB-AWEZNQCLSA-N 221.344 2.935 0 40 BFAB CCCCN1C(=O)[C@H](C)CNc2ccccc21 82087114 RDWTYRUKLWCMGT-LLVKDONJSA-N 232.327 2.881 0 40 BFAB O=C1CCCC[C@H](c2nccc3ccccc23)N1 85385356 MWKUMIYNXVUGRW-CYBMUJFWSA-N 240.306 2.966 0 40 BFAB CO[C@H]1CCCC[C@@H]1CCNCC1CC1 85396139 YXRGZCMARKYYOE-OLZOCXBDSA-N 211.349 2.581 0 40 BFAB CCC[C@](C)(O)c1cc(F)cc(F)c1 86336451 LAKXNOBVFNQHHZ-NSHDSACASA-N 200.228 2.972 0 40 BFAB Cc1c2c(nc3ccccc13)CCC[C@H]2N 95097477 MMFBKLLCGLRBJW-LLVKDONJSA-N 212.296 2.879 0 40 BFAB COCCCCC(=O)NC1CCC(C)(C)CC1 96423058 BFIZLOIDIMGWRH-UHFFFAOYSA-N 241.375 2.888 0 40 BFAB C[C@@H]1CCCN([C@H](C)C(=O)Nc2ccccc2)C1 104893319 XIYWYNJFUOXPPR-CHWSQXEVSA-N 246.354 2.746 0 40 BFAB COC(=O)CCCCCOc1ccc(O)cc1 114635600 KGUHUNWWLRPTMR-UHFFFAOYSA-N 238.283 2.504 0 40 BFAB CC(=O)[C@H]1CN(Cc2ccccc2)CC1(C)C 150270960 DUADLVYNRRWWEQ-CQSZACIVSA-N 231.339 2.734 0 40 BFAB O=C(CCc1ccc[nH]1)c1ccc2c(c1)OCO2 199736613 NBAYRSLZUSGLPE-UHFFFAOYSA-N 243.262 2.559 0 40 BFAB CC[C@@H](Cl)C(=O)c1ccccc1OC(C)=O 381555670 OMBHJQCDNORABT-SNVBAGLBSA-N 240.686 2.812 0 40 BFAB CN(C)[C@H]1CCC[C@H]1Oc1ncccc1Cl 585655175 VZGWHBYQCURPCR-WDEREUQCSA-N 240.734 2.597 0 40 BFAB CC(C)(C(=O)N1CC(C(F)F)C1)C1CCC1 649164311 ZLQJISOVJJEFEB-UHFFFAOYSA-N 231.286 2.536 0 40 BFAB Oc1nc2cc(F)ccc2c(O)c1CC1CC1 685937377 RJUPJAANBUUGHC-UHFFFAOYSA-N 233.242 2.738 0 40 BFAB CNc1nc(-c2[nH]c(C)c(C(C)=O)c2C)cs1 3547679 HVKIXVPTIXRHDI-UHFFFAOYSA-N 249.339 2.999 0 40 BFAB OCCCCCCOCc1ccccc1 3957449 FMSYZEGXVQMCSX-UHFFFAOYSA-N 208.301 2.756 0 40 BFAB in-vitro Cc1ccc(CC(=O)NCCC(C)C)cc1 6478901 HIADXUVDLYDXLS-UHFFFAOYSA-N 219.328 2.700 0 40 BFAB CCN(CC)CCOC(=O)CCc1ccccc1 6891359 AOEZSVRWNCPDBX-UHFFFAOYSA-N 249.354 2.504 0 40 BFAB Cc1ccc(-n2[nH]c3c(c2=O)CCCC3)cc1C 8990161 BAXALIYYGIPOAP-UHFFFAOYSA-N 242.322 2.661 0 40 BFAB Cc1ccc(NC(=O)c2cc(C)no2)c(C)c1 9113416 HRLMKCTVXSGNSC-UHFFFAOYSA-N 230.267 2.852 0 40 BFAB O=C(Nc1cccc2cccnc12)c1ccccn1 9455159 RZQZPRDJYGINCD-UHFFFAOYSA-N 249.273 2.882 0 40 BFAB COc1cccc(NC(=O)c2ccc(C)nc2)c1 12871492 IASHLPNVIDBAIJ-UHFFFAOYSA-N 242.278 2.651 0 40 BFAB Cc1ccc(C)c(O[C@@H](C)C(=O)NCC(C)C)c1 13710119 YEEVLGVDEUMPEZ-ZDUSSCGKSA-N 249.354 2.843 0 40 BFAB Cc1ccnc(NC(=S)NC2CCCC2)c1 13837460 DOAMIKTYJPVHDJ-UHFFFAOYSA-N 235.356 2.619 0 40 BFAB CC(C)CCNC(=O)Cc1cccc(F)c1 19934944 MHMNPIFFCMHDCZ-UHFFFAOYSA-N 223.291 2.531 0 40 BFAB CC(C)COc1ccc(C(=O)O)cc1F 20080446 IIBZDQZXTSSWBX-UHFFFAOYSA-N 212.220 2.559 0 40 BFAB Cc1ccc(C(=O)Nc2ccc(CN)cc2)cc1 20224324 UOXAQNYCCMXRRO-UHFFFAOYSA-N 240.306 2.706 0 40 BFAB NCc1cccn1-c1ccc(Cl)cc1 23993757 WSLFJBQELWDZPF-UHFFFAOYSA-N 206.676 2.589 0 40 BFAB c1ccc(Nc2nc3ncccc3o2)cc1 26893577 KURQHFIOAQLGES-UHFFFAOYSA-N 211.224 2.966 0 40 BFAB Cc1ccc(C(=O)N[C@H]2CCC[C@H](C)C2)cn1 32029742 ZDQMHYYPXBUFPZ-GWCFXTLKSA-N 232.327 2.699 0 40 BFAB Cc1cc(NCc2cccnc2)ccc1N 35277830 HTYLUKPKSHBDGF-UHFFFAOYSA-N 213.284 2.584 0 40 BFAB CCOC(=O)CCC(=O)Nc1cc(C)ccc1C 36396967 JBYRRSMGJNIUOH-UHFFFAOYSA-N 249.310 2.585 0 40 BFAB Cc1cccc([C@@H](CN)N2CCC[C@H](C)C2)c1 36879510 DZJHDJOAIHYPNT-DZGCQCFKSA-N 232.371 2.727 0 40 BFAB C[C@@H](Cc1ccco1)NC(=O)C[C@H]1C=CCC1 40074697 PSQFORNGHDVYMZ-RYUDHWBXSA-N 233.311 2.683 0 40 BFAB CCCC(CCC)N[C@H]1CCCC[C@H]1O 51992840 GHRWONMLMRHEQT-QWHCGFSZSA-N 213.365 2.848 0 40 BFAB COCCN(Cc1ccco1)Cc1ccco1 53420654 SIESNCIODJAPJX-UHFFFAOYSA-N 235.283 2.521 0 40 BFAB Cc1ccc(NCc2ncccn2)c(F)c1 54459083 XANAYCSKXGWBAP-UHFFFAOYSA-N 217.247 2.536 0 40 BFAB C[C@H]1CCCN(C[C@H](O)c2ccc(F)cc2)C1 58405893 OJOCGLWPIUJXJR-FZMZJTMJSA-N 237.318 2.591 0 40 BFAB O=C(C=C(C1CC1)C1CC1)Nc1ccc(F)cn1 60380964 MWSIAHHQFQEAEL-UHFFFAOYSA-N 246.285 2.906 0 40 BFAB COc1ccc(C2(NC(C)=O)CCCC2)cc1 64314498 AVTCCAAJBYSTBB-UHFFFAOYSA-N 233.311 2.601 0 40 BFAB Cc1cccc(-c2cnccc2C(=O)O)c1 65347050 JPYJKCJVVYAAMS-UHFFFAOYSA-N 213.236 2.755 0 40 BFAB c1csc(-c2noc(C3CCOCC3)n2)c1 69699176 PLCGDRAWDXJCCY-UHFFFAOYSA-N 236.296 2.692 0 40 BFAB Cc1cccc([C@H](N)C(F)(F)F)c1C 72191409 LYKOQELHHVBULZ-VIFPVBQESA-N 203.207 2.866 0 40 BFAB Nc1ccc(COC2CCCCC2)c(C(=O)O)c1 72209179 FNZPSCMIAUTRKK-UHFFFAOYSA-N 249.310 2.816 0 40 BFAB CC(C)Cc1ccc(/C=C\C(=O)O)cc1 77045743 FFVQPPLMTMUAQD-FPLPWBNLSA-N 204.269 2.983 0 40 BFAB O=C(O)c1cc2c(cc1Cl)CCCC2 82726373 NVJKHJJPXLYGMP-UHFFFAOYSA-N 210.660 2.917 0 40 BFAB COC(=O)c1c[nH]c2c(Cl)cccc12 89204188 LTAGUMGLNICZSD-UHFFFAOYSA-N 209.632 2.608 0 40 BFAB CC(C)(C)c1csc(-c2ccnc(NN)c2)n1 89263540 SFTLQHBQUZLUKK-UHFFFAOYSA-N 248.355 2.788 0 40 BFAB COCCc1noc(C2CCCCCC2)n1 96406045 VDBMZAVQHLAFOE-UHFFFAOYSA-N 224.304 2.696 0 40 BFAB O=C(NCc1ccccc1)[C@H]1C[C@@H]2CC[C@@H]1C2 100919307 XDJPRXQVKVZIMU-MCIONIFRSA-N 229.323 2.739 0 40 BFAB N#CC1(c2ncc(Br)cc2F)CC1 148807483 TWEQVMRXLJBZHG-UHFFFAOYSA-N 241.063 2.538 0 40 BFAB COc1cc(C(=O)C(F)F)ccc1Cl 158646555 KDLJHNJRXRNWRK-UHFFFAOYSA-N 220.602 2.796 0 40 BFAB ClC(Cl)(Cl)/C=C/c1cccnn1 217481104 XJFOBGUIDFXTCQ-ONEGZZNKSA-N 223.490 2.860 0 40 BFAB FC(F)n1ccc(CNCc2ccccc2)n1 256053054 PULCIYSKBOXXAJ-UHFFFAOYSA-N 237.253 2.568 0 40 BFAB FC(F)(F)c1ccc(OC[C@H]2CCCO2)nc1 585654128 DBRAVVJLMACSEV-SECBINFHSA-N 247.216 2.658 0 40 BFAB O[C@@H]1c2ccccc2-c2ccc(F)cc21 1592603 GNXVXOGCRALAOI-CYBMUJFWSA-N 200.212 2.888 0 40 BFAB O=C(N[C@H]1CCCCCC[C@H]1O)c1ccccc1 1709148 DPAWCOZGSAXDJO-UONOGXRCSA-N 247.338 2.500 0 40 BFAB O=S(=O)(O)c1ccc2c(c1)oc1ccccc12 3132479 QQYILFJVCFLPNB-UHFFFAOYSA-N 248.259 2.833 0 40 BFAB biogenic CN(C)CNc1cccc2ccccc12 4244762 MKJMZJBIFNEMPX-UHFFFAOYSA-N 200.285 2.771 0 40 BFAB Fc1cccc(-c2nc(-c3ccccn3)no2)c1 4513143 KKOMUMXAHMIGQB-UHFFFAOYSA-N 241.225 2.938 0 40 BFAB CCN(CC)C(=S)SC/C=C/OC 5708373 FOPKPHXMLRAJGQ-VOTSOKGWSA-N 219.375 2.506 0 40 BFAB Cc1n[nH]c(=S)n1NC/C=C/c1ccccc1 6888571 RSZPZNBJXPOAIW-VMPITWQZSA-N 246.339 2.506 0 40 BFAB Cc1cc(Cl)nc(-c2cccnc2)n1 8700461 CTAGJBGOBMTVOG-UHFFFAOYSA-N 205.648 2.500 0 40 BFAB in-vitro CC(C)[C@@H](C)NC(=O)c1ccc(N(C)C)cc1 9322826 ROESNJICJNLDMD-LLVKDONJSA-N 234.343 2.527 0 40 BFAB O=C(Nc1ccccc1)c1ccc2[nH]cnc2c1 9605202 LACCOHYAMALPOO-UHFFFAOYSA-N 237.262 2.815 0 40 BFAB CCc1ccc(CCC(=O)NCC(C)C)cc1 10372075 DSQOCRKRFWFMKP-UHFFFAOYSA-N 233.355 2.954 0 40 BFAB Cc1sc(-n2cccc2)c(CO)c1C 12372705 YRCGRPTYKCCTAZ-UHFFFAOYSA-N 207.298 2.648 0 40 BFAB CC(C)=C[C@H]1[C@@H](C(=O)NC2CC2)C1(C)C 12905692 PADZZLZDZKMHPI-QWRGUYRKSA-N 207.317 2.503 0 40 BFAB Cc1onc(C(=O)NC2CCCCCC2)c1C 13641080 VRNQLHUQHCCICQ-UHFFFAOYSA-N 236.315 2.744 0 40 BFAB CC(C)c1cccc(O[C@H]2CCNC2)c1 14632194 LRMYVDREWOKEKH-ZDUSSCGKSA-N 205.301 2.551 0 40 BFAB in-vitro C[C@H](N)c1ccc(OCC(F)(F)F)c(F)c1 19873103 XMYLIMVFYINLJN-LURJTMIESA-N 237.196 2.787 0 40 BFAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NC(C)C 20040927 ALBLIGDUGOVHCW-CYBMUJFWSA-N 249.354 2.985 0 40 BFAB Cc1ccc(CC(=O)N(C)C2CCCC2)cc1 20046231 PXSXSLZGSMBIGG-UHFFFAOYSA-N 231.339 2.939 0 40 BFAB CCc1ccccc1O[C@@H](C)C(=O)N(CC)CC 20484007 RGLLDDUVCZOFSO-LBPRGKRZSA-N 249.354 2.885 0 40 BFAB COC(=O)c1cc(-c2cccs2)ccc1N 21950870 PNNRKISKHNTAHL-UHFFFAOYSA-N 233.292 2.784 0 40 BFAB CC(C)N(CCN)Cc1ccc(Cl)cc1 32015303 JSCCEFNAGHCWEW-UHFFFAOYSA-N 226.751 2.509 0 40 BFAB Cc1cc(N[C@@H](C)c2cccs2)nc(N)n1 32540550 OOEJRHRXLPIXTI-QMMMGPOBSA-N 234.328 2.602 0 40 BFAB CCCCOc1ccc(/C=C\C(=O)O)cc1 33727853 AAHNIBROSVVFRO-TWGQIWQCSA-N 220.268 2.963 0 40 BFAB O[C@H](c1ccccc1)c1cc(Cl)ccn1 34632958 BSIUZWWCCXSCRB-GFCCVEGCSA-N 219.671 2.817 0 40 BFAB CC(C)(C)c1nnc(-c2ccc(N)cc2)o1 36075278 BXURLKRTMRDEOI-UHFFFAOYSA-N 217.272 2.616 0 40 BFAB CC(C)n1nnc(-c2ccc(Cl)cc2)n1 40161765 UCJHZTCAGXVJSQ-UHFFFAOYSA-N 222.679 2.574 0 40 BFAB O=C(Nc1nccs1)NC1CCCCCC1 42738549 FBSZGELAMUEGTF-UHFFFAOYSA-N 239.344 2.987 0 40 BFAB C[C@H](CN)Cc1ccc(C(F)(F)F)cc1 52946792 LFFQYRJEEYDAGT-QMMMGPOBSA-N 217.234 2.843 0 40 BFAB CCOc1cccc(NC(=S)NC2CC2)c1 54971819 RQIURQDMNPLJKD-UHFFFAOYSA-N 236.340 2.534 0 40 BFAB CCNC(=O)c1ccc(-c2nc(C)cs2)cc1 58329570 HNUCUHUUMZMGOM-UHFFFAOYSA-N 246.335 2.868 0 40 BFAB Cc1ccccc1OCCCC(=O)N1CCCC1 65491572 RAUCESPTZLGDKS-UHFFFAOYSA-N 247.338 2.776 0 40 BFAB FC(F)(F)CCn1cc(Br)cn1 70916018 LQEUMDCDRJXBAC-UHFFFAOYSA-N 243.026 2.598 0 40 BFAB in-vitro CCCNc1ccc([C@@H](O)c2ccccc2)cn1 72225222 JNBJRQADWHAHJG-HNNXBMFYSA-N 242.322 2.985 0 40 BFAB CCC(=O)c1ccc(N(CC)CC)nc1 72225254 YEVHXGACBHYJOG-UHFFFAOYSA-N 206.289 2.521 0 40 BFAB COC(=O)c1cc(OC)c2cc(C)oc2c1 72228365 UMWWKMKPTJABHT-UHFFFAOYSA-N 220.224 2.536 0 40 BFAB COCCCCCn1ccc(=O)c2ccccc21 76062785 AKDPYTCFSSEGAO-UHFFFAOYSA-N 245.322 2.818 0 40 BFAB CC(=O)c1cc(C=O)c(C)n1Cc1ccccc1 78404375 AZPXDNXCFXHRDE-UHFFFAOYSA-N 241.290 2.860 0 40 BFAB COc1cc(/C=C/C(=O)O)c(F)cc1Cl 83259901 IGZHKGOBHGCMEV-NSCUHMNNSA-N 230.622 2.586 0 40 BFAB O[C@H](c1ccc(Cl)c(F)c1)C1CC1 84194168 GJUFEXDUYHUCNO-JTQLQIEISA-N 200.640 2.923 0 40 BFAB CC(C)CNc1ncc(Cl)cc1F 86710113 IFHPUYKZRHPTSO-UHFFFAOYSA-N 202.660 2.942 0 40 BFAB C[C@@H]1CC(C)(C)CC[C@H]1NCc1nccn1C 93962621 FHRHXLUOAAJDBM-VXGBXAGGSA-N 235.375 2.725 0 40 BFAB CCN(Cc1ccoc1)c1ccc(SC)nn1 95408821 UBGVIYPJHIUOSH-UHFFFAOYSA-N 249.339 2.818 0 40 BFAB Sc1cccc(COC[C@@H]2CCCO2)c1 95738789 FCNRYGHSGONMSJ-NSHDSACASA-N 224.325 2.671 0 40 BFAB O=C(c1ccc(F)c(Cl)c1)C(F)F 95916184 GQQQRTYKBPWDAY-UHFFFAOYSA-N 208.566 2.927 0 40 BFAB CN(Cc1cccnc1)C[C@H]1CC=CCC1 97086379 ALQRLBYJJTTZRD-ZDUSSCGKSA-N 216.328 2.870 0 40 BFAB N[C@H]1CC[C@H](NCc2ccccc2Cl)CC1 100173881 YGRRSYLHHMHJBP-TXEJJXNPSA-N 238.762 2.700 0 40 BFAB CN(CCc1ccccn1)C[C@@H]1C[C@H]2C=C[C@H]1C2 100655169 CJNPSSKBHIVZGP-KKUMJFAQSA-N 242.366 2.768 0 40 BFAB CCNC(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 101004718 RIUOKZLPBODRHT-GXFFZTMASA-N 224.348 2.617 0 40 BFAB CC(C)C[C@H](CO)N[C@@H]1CCC[C@H](C)C1 101616198 ZPRLWIPTHYOSSQ-YNEHKIRRSA-N 213.365 2.562 0 40 BFAB CCCCCNC(=S)Nc1cc(C)ccn1 225202162 SPVSEVMHSOBAMF-UHFFFAOYSA-N 237.372 2.867 0 40 BFAB Cn1c(=O)cc(C(F)F)c2cc(F)ccc21 225758543 OQZSCICZSZDFRD-UHFFFAOYSA-N 227.185 2.615 0 40 BFAB CCCc1ccc(CNCc2ccco2)[nH]1 226020552 MAOVUTLJOVCBJT-UHFFFAOYSA-N 218.300 2.850 0 40 BFAB Clc1cc(Br)cc2c1OCCO2 575444736 GZWBCDAQKRFCHA-UHFFFAOYSA-N 249.491 2.874 0 40 BFAB CCc1c(C(C)C)[nH]c2ccc(O)cc2c1=O 685938123 CUWOLRLAZXZADM-UHFFFAOYSA-N 231.295 2.920 0 40 BFAB Cc1cccc(Oc2cnccn2)c1C 1888879671 RVNVIMGKUXVLAV-UHFFFAOYSA-N 200.241 2.886 0 40 BFAB c1ccc(-c2nsc(N3CCCC3)n2)cc1 74713 SPOWNNNXWNHBDQ-UHFFFAOYSA-N 231.324 2.805 0 40 BFAB Cc1ccc(C(=O)N2CCCCC2)cc1 209905 JHOMIXKATLMPEJ-UHFFFAOYSA-N 203.285 2.621 0 40 BFAB COc1ccc(C(=O)COC(C)(C)C)cc1 1600766 BSEYWWMROYQSOF-UHFFFAOYSA-N 222.284 2.693 0 40 BFAB CCOC(=O)/C(=C/c1ccccc1)N(CC)CC 5810976 OGXGGCUNOIPZKY-OWBHPGMISA-N 247.338 2.932 0 40 BFAB CSc1ccc([C@H](O)CNC(C)C)cc1C 6522027 RACXDCLXISSWSX-GFCCVEGCSA-N 239.384 2.748 0 40 BFAB COC[C@H](C)Oc1ccc(C(F)(F)F)cc1N 6678527 GKQFQXHWSJXNQX-ZETCQYMHSA-N 249.232 2.701 0 40 BFAB C[C@H]1C[C@H](C)CN(Cc2cccc(C(=O)O)c2)C1 8730762 VAWZGBRAFHERAI-RYUDHWBXSA-N 247.338 2.863 0 40 BFAB CC(C)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 9389004 RCCXQSOUQLJFJS-CYBMUJFWSA-N 246.354 2.746 0 40 BFAB Cc1cccc(C)c1OC(C)(C)C(=O)O 11958867 KPYUGMQZJXMMOM-UHFFFAOYSA-N 208.257 2.545 0 40 BFAB Nc1ccccc1OCCc1cccs1 12395369 AENSVGIHKAVJHW-UHFFFAOYSA-N 219.309 2.952 0 40 BFAB N[C@H](c1ccccc1)c1ccc(F)cc1 16082951 ABIODEXADJARAO-CYBMUJFWSA-N 201.244 2.874 0 40 BFAB CC1CCC(NCc2ccncc2)CC1 19917815 QSTCXTCNZUZWAP-UHFFFAOYSA-N 204.317 2.750 0 40 BFAB COc1cccc2[nH]cc(CCC(C)=O)c12 20269299 KKWDHWKXGBYEMK-UHFFFAOYSA-N 217.268 2.698 0 40 BFAB CCC(CC)c1nnc(NC(=O)C2CC2)s1 20886173 YHZVLUPINLMAGK-UHFFFAOYSA-N 239.344 2.790 0 40 BFAB O=C(O)c1snnc1-c1ccc(Cl)cc1 22124023 HKZXPUOSBLLCMR-UHFFFAOYSA-N 240.671 2.557 0 40 BFAB Cc1c(C(=O)N(C)C)oc2c(F)cccc12 32780769 VQEHULIVGZLRSP-UHFFFAOYSA-N 221.231 2.582 0 40 BFAB O=C1C[C@H](c2cccnc2)Nc2ccccc21 34569808 NZCGHPXFYXUOQY-CYBMUJFWSA-N 224.263 2.821 0 40 BFAB C[C@H](CO)N[C@@H](c1cccs1)C1CCCC1 37258889 GGFHTFHUEGITRR-ZWNOBZJWSA-N 239.384 2.950 0 40 BFAB C[C@@H](NC(=O)CC(F)(F)F)c1ccccc1 40490309 PDANYEFQMMOECR-MRVPVSSYSA-N 231.217 2.816 0 40 BFAB CCCNc1ncnc2ccc(F)cc12 41470853 KSFRCNIECNUFLU-UHFFFAOYSA-N 205.236 2.591 0 40 BFAB CCSc1nnc(Cc2csc(C)n2)o1 44865620 ZNMCZAPUBQMGGY-UHFFFAOYSA-N 241.341 2.537 0 40 BFAB O=C(Nc1ccc(Cl)c(F)c1)NC1CC1 48478964 KIZYWLRNQOSJPH-UHFFFAOYSA-N 228.654 2.763 0 40 BFAB CC[C@H](Cc1ccc(C)c(C)c1)C(=O)O 49669097 JODIWSUQMIDEBX-GFCCVEGCSA-N 206.285 2.957 0 40 BFAB Nc1ccc(OCC(F)(F)F)cc1Cl 50470744 OHLMRTHQMOVZNB-UHFFFAOYSA-N 225.597 2.863 0 40 BFAB CCOC(=O)Cc1ccccc1OC(F)(F)F 52233273 UUYVUBPWNNIQRG-UHFFFAOYSA-N 248.200 2.691 0 40 BFAB Cc1cnccc1-c1cccc(C(=O)O)c1 67689282 NEXHIHGIFJBDJW-UHFFFAOYSA-N 213.236 2.755 0 40 BFAB CCCCNC(=O)N[C@H](C)c1cccc(O)c1 68556320 ASIXKLZWLWFCIB-SNVBAGLBSA-N 236.315 2.553 0 40 BFAB CC(C)N1CCCC[C@@H]1c1ccc(N)nc1 72212380 LSKYTWZYNWVZJE-GFCCVEGCSA-N 219.332 2.599 0 40 BFAB Cc1cc(C)nc([C@@H]2CCCN(CC3CC3)C2)n1 72361367 JFJHLZUCMIEQFS-CQSZACIVSA-N 245.370 2.683 0 40 BFAB O=C(O)c1[nH]ccc1-c1ccccc1F 74203990 ZRLSUDMUZINPAV-UHFFFAOYSA-N 205.188 2.519 0 40 BFAB c1ccc2sc(Nc3cn[nH]c3)nc2c1 75667742 GNQSYQFRRRDQFO-UHFFFAOYSA-N 216.269 2.763 0 40 BFAB CC1CC(COc2ccccc2C=O)C1 85391103 XQEWYANDMQWQOY-UHFFFAOYSA-N 204.269 2.924 0 40 BFAB CCc1c(N)cnn1-c1ccc(Cl)cc1 85634291 KPACRVNOEUQQMK-UHFFFAOYSA-N 221.691 2.670 0 40 BFAB O=C(C1CCCC1)N1CCC[C@@H]2CCC[C@H]21 89818013 CPAXREDCEZYJJO-WCQYABFASA-N 221.344 2.968 0 40 BFAB COc1cc([C@@](C)(O)C(C)C)cc(F)c1F 95739282 OZUBLXWEIRDNMZ-LBPRGKRZSA-N 230.254 2.837 0 40 BFAB Cc1cc(O)n2ncc(-c3ccc(F)cc3)c2n1 101029891 SWVXCQOJEPKDNY-UHFFFAOYSA-N 243.241 2.549 0 40 BFAB Cc1occc1SCN1CCCCC1=O 131566038 SCEHHWXNANSLDA-UHFFFAOYSA-N 225.313 2.650 0 40 BFAB CCN(Cc1cn(C)nc1C)c1ccccc1 191461089 PUMRVRGYAODTEA-UHFFFAOYSA-N 229.327 2.755 0 40 BFAB COc1cc(F)c(C(F)(F)F)cc1C(=O)O 247915131 VUXCICCNVRQZJS-UHFFFAOYSA-N 238.136 2.551 0 40 BFAB c1cc2c(nc1CN1CC[C@H]1C1CC1)CCC2 334646398 XDFOEXQZTYSFCU-HNNXBMFYSA-N 228.339 2.555 0 40 BFAB COc1c(F)cc(F)cc1C(=O)C1CC1 382676990 WHPMXEQRSDYAOU-UHFFFAOYSA-N 212.195 2.566 0 40 BFAB CCc1[nH]c2cc(C)ccc2c(=O)c1CC 685938026 AMCLPPRVPAPIHM-UHFFFAOYSA-N 215.296 2.961 0 40 BFAB CC(=O)Oc1ccc2c(c1)C(=O)c1ccccc1-2 1609898 VCYQRZKSWZQERK-UHFFFAOYSA-N 238.242 2.823 0 40 BFAB C[C@@H]1CC=C[C@H](N2C(=O)c3ccccc3C2=O)C1 1700418 UHPLRASGLXFKSY-MNOVXSKESA-N 241.290 2.637 0 40 BFAB CN1CCC[C@@H]1/C=C/COc1ccccc1 4108559 QBONHOIDYXOWNK-STMXVASLSA-N 217.312 2.716 0 40 BFAB CC[C@@H](C)C(=O)N[C@H](C)c1ccccc1 5593229 VOZIYZAFDNZVQF-GHMZBOCLSA-N 205.301 2.910 0 40 BFAB O=C(Nc1ccccc1)Nc1ccccc1CO 6603112 UJLWEZRWWZIQRC-UHFFFAOYSA-N 242.278 2.823 0 40 BFAB COc1ccc(-c2c(C(C)C)n[nH]c2N)cc1 8701443 KDFUXYGYIZFQEO-UHFFFAOYSA-N 231.299 2.791 0 40 BFAB CN(C(=O)c1ccoc1)c1nc2ccccc2o1 12903053 KTPZVPQXPAVKFF-UHFFFAOYSA-N 242.234 2.697 0 40 BFAB C1CCC(CCOC2CCNCC2)CC1 14839337 BRYFWGABNKTNJA-UHFFFAOYSA-N 211.349 2.725 0 40 BFAB in-vitro CC1(C)CN(Cc2ccccc2)C(C)(C)CN1 19366759 OYRHWKZRJAQUQH-UHFFFAOYSA-N 232.371 2.649 0 40 BFAB c1ccc2c(c1)CCCN2CC[C@H]1CCCCN1 20180440 YXGRHPSVAOYWRA-OAHLLOKOSA-N 244.382 2.971 0 40 BFAB CCc1noc(-c2cc(Cl)ccc2N)n1 21009754 UQVCWPZDBFOGGM-UHFFFAOYSA-N 223.663 2.535 0 40 BFAB in-vitro CCCCOc1ccc(Cl)cc1C(N)=O 22613171 SHJNLSODUPJWLZ-UHFFFAOYSA-N 227.691 2.618 0 40 BFAB CCN(CC)C(=O)Cc1c[nH]c2ccccc12 27474652 DXPLLGZJUUEICH-UHFFFAOYSA-N 230.311 2.579 0 40 BFAB CC[C@H](C)NC[C@H](O)c1ccc2c(c1)CCCC2 27637710 GVNYSERWAKVROD-LRDDRELGSA-N 247.382 2.987 0 40 BFAB investigational O=C(NC1CCCCC1)c1ccc(Cl)o1 32726889 YVLXZJUULFCFJF-UHFFFAOYSA-N 227.691 2.996 0 40 BFAB CCOc1cc(CN)ccc1OC1CCCC1 34957154 YVXQZXHUEHJLKN-UHFFFAOYSA-N 235.327 2.865 0 40 BFAB Cc1[nH]c2ccccc2c(=O)c1C(C)C 35064853 AJDNYHSBEVKAHY-UHFFFAOYSA-N 201.269 2.960 0 40 BFAB in-vitro CC(C)[C@@H](C)N1Cc2cccc(N)c2C1 36683401 CFLRYVYXBQEJDR-SNVBAGLBSA-N 204.317 2.629 0 40 BFAB in-vitro O=C1c2ccccc2[C@@H]2Nc3ccccc3N12 39281162 XDNIPQUZYJAAMI-CYBMUJFWSA-N 222.247 2.771 0 40 BFAB O=C(Nc1cccc2cn[nH]c12)C1CCCC1 39551576 FTHIWDPPQXKZTD-UHFFFAOYSA-N 229.283 2.692 0 40 BFAB Cc1ccc(F)cc1[C@@H](O)c1ccco1 55204594 BDGGGZRAAOVUTP-GFCCVEGCSA-N 206.216 2.809 0 40 BFAB OCCOc1ccccc1Cc1ccccc1 59670835 GNGDSXKYHXETLB-UHFFFAOYSA-N 228.291 2.649 0 40 BFAB COCc1ccccc1NC(=O)c1cscn1 59896170 XAIFJIBBXXGKJS-UHFFFAOYSA-N 248.307 2.542 0 40 BFAB CCCOc1ccccc1/C=C/C(=O)OC 62715086 FTRDYJHUHYUOQK-CMDGGOBGSA-N 220.268 2.662 0 40 BFAB CCOc1ccc2c(c1)CN(C(=O)C(C)C)CC2 64083149 JCZHTWNWJXNVIX-UHFFFAOYSA-N 247.338 2.626 0 40 BFAB O=C(Cc1ccccc1)NCC1CCCCC1 68324571 HRMJRVJYTAHAKC-UHFFFAOYSA-N 231.339 2.926 0 40 BFAB N=C(NC[C@H]1CC=CCC1)Nc1ccccc1 69418548 IFFCHGCMQHDOKW-LBPRGKRZSA-N 229.327 2.979 0 40 BFAB C[C@H](N)c1cc(F)c(Br)cc1F 70022559 IEZQFLGEDIUYHZ-BYPYZUCNSA-N 236.059 2.747 0 40 BFAB Oc1ccc(-n2ncc3ccccc32)cc1 70675385 RDPHYKAOPBRCKR-UHFFFAOYSA-N 210.236 2.731 0 40 BFAB in-vitro CSc1ncccc1[C@@H]1CCCCN1C 72216956 CJJCAIOEGGXLSO-NSHDSACASA-N 222.357 2.960 0 40 BFAB Cc1cc(C)c(C(=O)NC(C)C)cc1C 74951553 LUBOLBGIBKMTJC-UHFFFAOYSA-N 205.301 2.750 0 40 BFAB COC(=O)c1c(F)ccc(C)c1Br 75914933 BTPIXEUBLPCSBA-UHFFFAOYSA-N 247.063 2.683 0 40 BFAB CCN(CC)C(=O)N[C@H]1CCCc2occc21 84770956 BEWNHHKZUAVCBY-NSHDSACASA-N 236.315 2.708 0 40 BFAB O=C(c1ccc(O)c(Br)c1)C1CC1 88120928 WTGKVVRZFZCZOI-UHFFFAOYSA-N 241.084 2.747 0 40 BFAB CC(C)CCC(=O)N1CCC2(CC1)CC2 96078089 GIBYXDDDBGDAPJ-UHFFFAOYSA-N 209.333 2.825 0 40 BFAB C[C@@](O)(CNc1ncccc1F)C1CCCC1 96460537 FTFCBGPPKMZIPK-CYBMUJFWSA-N 238.306 2.574 0 40 BFAB CCCN(C(=O)Nc1ccncc1F)C1CC1 97135645 HKGPUHVHEIJNKX-UHFFFAOYSA-N 237.278 2.627 0 40 BFAB Clc1ccc(Br)c2nc[nH]c12 97442096 CEUQSGOBJMLVLX-UHFFFAOYSA-N 231.480 2.979 0 40 BFAB COc1ccc([C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 100888399 PQZDRNSTQPNVIV-VTPLQMEGSA-N 244.290 2.686 0 40 BFAB O=S(=O)(C1=C[C@@H]2C=C[C@@H]1C2)c1ccccc1 101037567 ZEZUTCANYHGFRE-GHMZBOCLSA-N 232.304 2.550 0 40 BFAB Nc1csc(N2CCCc3ccccc32)n1 103693849 RPCNZBBRLGGOGV-UHFFFAOYSA-N 231.324 2.810 0 40 BFAB COC(=O)c1cc2cc(Cl)ncc2s1 202091711 LNZPYMMUVBKJTJ-UHFFFAOYSA-N 227.672 2.736 0 40 BFAB CC(C)CNC(=O)c1conc1-c1ccccc1 225870441 ONUDQXDDFJRGAC-UHFFFAOYSA-N 244.294 2.727 0 40 BFAB C[C@@H]1CCC[C@@H](C)N1C[C@H]1CCCCCN1 242463899 DPQMTMQEYUBYSU-MGPQQGTHSA-N 224.392 2.782 0 40 BFAB CC(C)COc1ccc(/C=C/[N+](=O)[O-])cc1 408601621 KXORAFMQXGLHTI-BQYQJAHWSA-N 221.256 2.969 0 40 BFAB Cc1cncc([C@H]2CCCN2CC2(C)COC2)c1 879750239 OGEWKQRYYUOSDB-CQSZACIVSA-N 246.354 2.563 0 40 BFAB O=c1c2c(Cl)cccc2cnn1C1CCC1 899347560 YCYNRASUROVSSR-UHFFFAOYSA-N 234.686 2.775 0 40 BFAB O[C@@H](c1cccc(OC(F)F)c1)C(F)(F)F 1536112015 GVGZSAZULCWTII-ZETCQYMHSA-N 242.143 2.884 0 40 BFAB Nc1nc2c3c(ccc2s1)CCCC3 26450 ZNNICKYRKHFDDV-UHFFFAOYSA-N 204.298 2.757 0 40 BFAB in-vitro C[C@@H]1CN(Cc2ccccc2)C(=N)S1 4777592 LLEWXIGWFKBQSF-SECBINFHSA-N 206.314 2.559 0 40 BFAB O=C(NC1C2CC3CC(C2)CC1C3)C1CCC1 7037126 UCYIBKMEKLKQLB-UHFFFAOYSA-N 233.355 2.727 0 40 BFAB CC(C)(C)NCC(=O)Nc1ccc(Cl)cc1 9314343 BHYOFBJEBMTECA-UHFFFAOYSA-N 240.734 2.667 0 40 BFAB CC(=O)Nc1ccc(NC(=O)C(C)(C)C)cc1C 12985375 NFPQIPYLMQSXHQ-UHFFFAOYSA-N 248.326 2.938 0 40 BFAB CN1C(=O)c2ccccc2N[C@@H]1c1ccsc1 15249450 JVHNITJWJCMVAY-LBPRGKRZSA-N 244.319 2.944 0 40 BFAB Cc1cc(C)cc(C(=O)C[C@H](C)CC(=O)O)c1 15441738 ZIAFOVWJWRSOIR-NSHDSACASA-N 234.295 2.987 0 40 BFAB C[C@H]1NCCc2c1[nH]c1ccc(F)cc21 22863907 TZRAQZRTBMRRCH-SSDOTTSWSA-N 204.248 2.514 0 40 BFAB COCc1ccc(OC)c(Br)c1 34194774 QUZGPFANEYVMBN-UHFFFAOYSA-N 231.089 2.604 0 40 BFAB in-vitro CCCC[C@H](C(=O)O)[C@H](CCCC)C(=O)O 34406500 BQNDPALRJDCXOY-UWVGGRQHSA-N 230.304 2.768 0 40 BFAB Fc1cc(F)cc(CNc2cccnc2)c1 34504355 JHDOJKJGLQDLSN-UHFFFAOYSA-N 220.222 2.972 0 40 BFAB Clc1ccc(NCc2ncc[nH]2)cc1 34520493 SIFYJEQOTXUWFR-UHFFFAOYSA-N 207.664 2.675 0 40 BFAB in-vitro CCCCOc1ccc([C@H](C)O)cc1OC 35626470 HHSCQQTUFACRQG-JTQLQIEISA-N 224.300 2.927 0 40 BFAB CCCn1c(CNC)nc2cc(Cl)ccc21 37440571 XXJOEEQKBORTSS-UHFFFAOYSA-N 237.734 2.819 0 40 BFAB CCc1c(Br)[nH]c(C)c1C(C)=O 37624174 QWTRBOQNKDTABP-UHFFFAOYSA-N 230.105 2.851 0 40 BFAB O=C1CC(c2cccc(Br)c2)C1 39711905 RLKCJCIUTBLVRJ-UHFFFAOYSA-N 225.085 2.896 0 40 BFAB in-vitro Fc1ccc(-c2nc(-c3cccnc3)n[nH]2)cc1 40175824 CZZRLOQTCRWYIP-UHFFFAOYSA-N 240.241 2.673 0 40 BFAB Cc1ccccc1COc1cccc(C(N)=O)c1 42645462 ITZFLVBVLIRFNL-UHFFFAOYSA-N 241.290 2.673 0 40 BFAB c1ccc(-c2ccc(COC3CNC3)cc2)cc1 42769802 AQJOBJUWGAEKRD-UHFFFAOYSA-N 239.318 2.842 0 40 BFAB CCOC(=O)c1ccc(SCC)cc1 43503554 ARLABMIJJKMPRY-UHFFFAOYSA-N 210.298 2.975 0 40 BFAB Fc1ccc(C(F)(F)F)nc1OC(F)F 47203384 SNTPATKWFZIQDI-UHFFFAOYSA-N 231.095 2.841 0 40 BFAB Nc1c(Cl)cc(C(F)(F)F)nc1Cl 47218575 KITFADCMNYDCFZ-UHFFFAOYSA-N 231.004 2.989 0 40 BFAB Cc1cc(C(=O)Nc2ccccc2Cl)[nH]n1 47339409 ZIVKBIJMKIORQE-UHFFFAOYSA-N 235.674 2.624 0 40 BFAB COC1CCN(C(=O)Nc2ccc(C)cc2)CC1 53898074 BDLGFYUETBEGAA-UHFFFAOYSA-N 248.326 2.638 0 40 BFAB O[C@H](c1cc(F)cc(F)c1)c1ccco1 55204585 ZHDRZRWIZXFAME-LLVKDONJSA-N 210.179 2.640 0 40 BFAB COc1ccc(CNc2nccc(Cl)n2)cc1 57331269 YUYSFLXALHXZIQ-UHFFFAOYSA-N 249.701 2.751 0 40 BFAB CC(C)=CCN1CCC[C@H]1Cn1cc(C)cn1 70040480 NNHHPPYBWNZBQO-AWEZNQCLSA-N 233.359 2.622 0 40 BFAB CCN1CCCC[C@@H]1c1ccnc(C)c1 72219473 GJXQJUNIERFIQC-CYBMUJFWSA-N 204.317 2.937 0 40 BFAB Cc1cc(NCc2ccccc2)ncc1C(=O)O 72223363 QCARGTDVWIHPMF-UHFFFAOYSA-N 242.278 2.700 0 40 BFAB CCCc1c(C(=O)O)cc(C(C)=O)n1C(C)C 78404582 UZGYSTLZGVWWBZ-UHFFFAOYSA-N 237.299 2.922 0 40 BFAB Cc1ccc(Br)nc1Cl 79007079 LVEZNJUOFFMXKU-UHFFFAOYSA-N 206.470 2.806 0 40 BFAB COc1ccc2c(c1)c(C(=O)O)cn2C(C)C 79124035 CIVUJVZZBGSUDY-UHFFFAOYSA-N 233.267 2.929 0 40 BFAB COc1ccc2[nH]c3c(c2c1)[C@@H](O)CCC3 83724498 ODMYLJPOSLSMCB-LBPRGKRZSA-N 217.268 2.546 0 40 BFAB O=C(c1ccon1)N1CCCCc2ccccc21 89858401 WCBNSPDONRKKHK-UHFFFAOYSA-N 242.278 2.658 0 40 BFAB CC(C)CCOc1cc(CO)cc(F)c1F 95739707 ORVLJUFKTPPYDA-UHFFFAOYSA-N 230.254 2.882 0 40 BFAB CSc1nc(-c2ccccc2)cn1CCCO 95988717 QILSXGHLDADMQN-UHFFFAOYSA-N 248.351 2.654 0 40 BFAB CC(C)COC[C@@H](C)N[C@@H]1CCCSC1 97370868 CXJFPFRBPGAMIX-VXGBXAGGSA-N 231.405 2.533 0 40 BFAB NCC12C3c4ccccc4[C@@H]1[C@@H]2c1ccccc13 101045740 GHMHZXBXYOZQNA-HPZPOOBXSA-N 233.314 2.972 0 40 BFAB CC(C)(C)OC(=O)N1[C@H]2CCCC(=O)[C@H]1CC2 103120596 VLBIITJVZKIBAL-VHSXEESVSA-N 239.315 2.508 0 40 BFAB C[C@@H]1CC(=O)[C@@H]2[C@H](C1)[C@@H]1CC[C@]2(C)CC1=O 104097462 QBVXXJIGLMFGCN-IJPSMNBWSA-N 220.312 2.607 0 40 BFAB FC(F)c1csc(Br)n1 107267928 VQZDTVNJTFWZAG-UHFFFAOYSA-N 214.034 2.843 0 40 BFAB COC(=O)c1nc(-c2ccc(Cl)cc2)c[nH]1 118251939 CJUNUUQRVZGFNY-UHFFFAOYSA-N 236.658 2.517 0 40 BFAB Nc1c(Br)sc2c1CCC2 132952868 XKUWZHAKUADETG-UHFFFAOYSA-N 218.119 2.582 0 40 BFAB Nc1c(C(F)(F)F)ccc2cnccc12 149842576 DLPOZCSUEQMTMV-UHFFFAOYSA-N 212.174 2.836 0 40 BFAB Cc1nnc(CN[C@H](C)c2cccc(C)c2C)o1 183726337 BGIZCDYYFXIELQ-LLVKDONJSA-N 245.326 2.846 0 40 BFAB COc1ncc(Br)c2occc12 216320099 YTMSDUDRFHNAPE-UHFFFAOYSA-N 228.045 2.599 0 40 BFAB COc1ccc2c(c1)c(CNC(C)C)c(C)n2C 223768700 ILXIAHLKGOVQPA-UHFFFAOYSA-N 246.354 2.993 0 40 BFAB COc1ccc([C@H](C)N[C@H]2CCCC[C@H]2N)cc1 242688501 VQTRNMZJWYDLFO-GLQYFDAESA-N 248.370 2.616 0 40 BFAB CCCn1cc(NCCc2ccccc2)cn1 256051429 JCZPJSBSSREBSR-UHFFFAOYSA-N 229.327 2.948 0 40 BFAB Oc1nc(Br)ccc1C(F)(F)F 306238364 IRLKCJYBZAXIDR-UHFFFAOYSA-N 241.994 2.569 0 40 BFAB CC(C)[C@H](O)CN[C@@H](c1ccccn1)C1CCC1 528663344 YOASFLUSSDGBKM-HUUCEWRRSA-N 248.370 2.529 0 40 BFAB O[C@]1(CNc2nc3ccccc3o2)C=CCCC1 1776000970 RVNPUMPQBFIUTF-CQSZACIVSA-N 244.294 2.711 0 40 BFAB CCn1c(C)c(C(=O)O)c2cc(OC)ccc21 529408 FLWUGEDKKNENRR-UHFFFAOYSA-N 233.267 2.676 0 40 BFAB in-vitro CC[C@H]1CCCCN1C(=O)C1CCCC1 1466478 XIUAWVWOVMNYNX-LBPRGKRZSA-N 209.333 2.968 0 40 BFAB CCOc1ccc([C@@H]2OC[C@@H](C)O2)cc1OC 1677885 FLQVOGLTZVMLFX-NOZJJQNGSA-N 238.283 2.528 0 40 BFAB CCCCCNC(=O)c1ccc(F)cc1 2058289 DICOYHMQZXAPAW-UHFFFAOYSA-N 209.264 2.746 0 40 BFAB Cc1ccc(C(=O)Cn2nc(C)cc2C)cc1 5380504 XONVRYKPDFKWGG-UHFFFAOYSA-N 228.295 2.691 0 40 BFAB CCOc1cc(/C=C/C(=O)O)c(Cl)cc1O 12394614 HKYCDNZBAZUZKS-ONEGZZNKSA-N 242.658 2.542 0 40 BFAB COc1ccc2c(c1Br)CCCO2 16756663 WUQWVNGCJLMOEB-UHFFFAOYSA-N 243.100 2.783 0 40 BFAB S=c1[nH]cnc2c1ncn2[C@@H]1CCCS1 17315060 SFLMKCKRZJIAPC-LURJTMIESA-N 238.341 2.514 0 40 BFAB Cc1csc(-c2ccc(C=O)cc2)n1 19779337 CBYYKPBMBIUWJS-UHFFFAOYSA-N 203.266 2.931 0 40 BFAB Clc1ccc(COC[C@@H]2CCCCN2)cc1 28521912 WWULKUOXSUIBKB-ZDUSSCGKSA-N 239.746 2.999 0 40 BFAB C[C@@H](O)c1nc(-c2ccccc2)cs1 57218736 PYECMWLNMKANBM-MRVPVSSYSA-N 205.282 2.863 0 40 BFAB in-vitro CCOC(=O)CC(=O)c1ccc(F)cc1Cl 61847396 PIRZKOYCVITLMY-UHFFFAOYSA-N 244.649 2.615 0 40 BFAB CC(C)CN1CCC[C@@H]1c1ccncc1 72211033 AZFOIOPEINNATJ-CYBMUJFWSA-N 204.317 2.875 0 40 BFAB CNc1ccc(C(=O)c2ccccc2)c(C)n1 72224097 JUNUFCGDXQOCIL-UHFFFAOYSA-N 226.279 2.663 0 40 BFAB O[C@H](C[C@@H]1CCCCCN1)c1ccccc1 72312133 VKSOBYQYHWOSEY-UONOGXRCSA-N 219.328 2.642 0 40 BFAB in-vitro CCCCC(=O)Nc1ccc(N)cc1OCC 73638395 NSCGUUHLPMEOHD-UHFFFAOYSA-N 236.315 2.796 0 40 BFAB Cc1nccc(Br)c1Cl 79007113 NUGJZYYBZIRDHI-UHFFFAOYSA-N 206.470 2.806 0 40 BFAB CCCCc1ccc(C2(O)CCN(C)CC2)cc1 79030366 SRNNBDRQGGZFKX-UHFFFAOYSA-N 247.382 2.942 0 40 BFAB CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1C(F)F 82162990 LRNVUWPJESBIRD-NKWVEPMBSA-N 221.247 2.555 0 40 BFAB Cc1cccc(OCC2(C(=O)O)CCC2)c1 85390441 RGNTVSWETHPXOE-UHFFFAOYSA-N 220.268 2.629 0 40 BFAB COc1ccc(C(=O)c2ccccn2)c(C)c1 87754606 IHJIWYSBWXPWJR-UHFFFAOYSA-N 227.263 2.630 0 40 BFAB Nc1cccc2c(Br)c[nH]c12 89204255 AOTCBNORDMIMEB-UHFFFAOYSA-N 211.062 2.513 0 40 BFAB in-vitro Cn1nc(-c2ccccc2)cc1Br 95075663 WILDUCFAXIIARO-UHFFFAOYSA-N 237.100 2.850 0 40 BFAB CCCC(=O)c1ccc(C(=O)OCC)cc1 95835926 MEAYWIWQERYKEC-UHFFFAOYSA-N 220.268 2.846 0 40 BFAB Cc1cc(NC(=O)Nc2ccccn2)ccc1O 97104530 PHDQXGXGFOAVMJ-UHFFFAOYSA-N 243.266 2.740 0 40 BFAB Cn1c(=O)c2c(O)c(Cl)oc2c2ccccc21 100643713 GDRYAFLKHNBVIF-UHFFFAOYSA-N 249.653 2.644 0 40 BFAB COc1cc(Br)c2c(c1)CCCN2 149716180 GZBDUGUDAWFFOM-UHFFFAOYSA-N 242.116 2.816 0 40 BFAB CCCc1nccn1CCCN1CCCCC1 191836654 HOOIUGYPZQZHTR-UHFFFAOYSA-N 235.375 2.712 0 40 BFAB CCOc1cc(Cl)cc(C=O)c1OCC 225274254 ONUYSOPHVAQGNX-UHFFFAOYSA-N 228.675 2.950 0 40 BFAB Nc1cccc(CC(=O)Oc2ccccc2F)c1 225396705 LEGDISNIHZSVHH-UHFFFAOYSA-N 245.253 2.556 0 40 BFAB COc1cc(C(F)(F)F)c(Cl)cc1N 306815612 BKKXFAJNYIKDTR-UHFFFAOYSA-N 225.597 2.950 0 40 BFAB Cc1ncsc1-c1ccc(CN)c(F)c1 642882460 BOPKTUDPYZWZJQ-UHFFFAOYSA-N 222.288 2.716 0 40 BFAB COc1cccc2[nH]c(C3CC3)c(C)c(=O)c12 685938592 PPLOGUATDAJWEK-UHFFFAOYSA-N 229.279 2.723 0 40 BFAB Cc1csc(Nc2ccccc2)[n+]1C 370202 DHCNMNPNNXRRBJ-UHFFFAOYSA-O 205.306 2.625 0 40 BFAB Clc1ncnc2c1ncn2C1C=CC=CC=C1 1615663 QMHWJIYJGIUEBV-UHFFFAOYSA-N 244.685 2.703 0 40 BFAB Clc1ncnc2nc(-c3ccccc3)cnc12 4243462 HNXZHJFSAHLVQF-UHFFFAOYSA-N 242.669 2.740 0 40 BFAB CC[C@H](Oc1ccccc1)C(=O)N1CCCCC1 5476157 MDXTWTAXVWDLNV-AWEZNQCLSA-N 247.338 2.857 0 40 BFAB CCCNC(=O)CCSCc1ccccc1 7685570 FARJSYOIRMMPBX-UHFFFAOYSA-N 237.368 2.836 0 40 BFAB CCCCSc1nc(C)c(CCC)c(=O)[nH]1 8767789 KJKFPKOVYVBFKR-UHFFFAOYSA-N 240.372 2.923 0 40 BFAB COc1ccc([C@H]2NCCc3ccccc32)cc1 11597198 FSFZUYODRIULLG-MRXNPFEDSA-N 239.318 2.930 0 40 BFAB C[C@@H](NC(=O)Nc1ccccc1F)C1CC1 12850998 ANKQPGPYCYJOPQ-MRVPVSSYSA-N 222.263 2.746 0 40 BFAB O=C(c1ccc(-c2ccccc2F)o1)N1CCC1 12976329 QSQXNERHIBMMSX-UHFFFAOYSA-N 245.253 2.932 0 40 BFAB CCC[C@H](C)C(=O)Nc1ccc(F)cc1N 20157333 IOHXWGODBTVIGH-QMMMGPOBSA-N 224.279 2.783 0 40 BFAB CC(=O)c1nc(-c2ccccc2)oc1C 20470611 NMSUUNOVNFUBPW-UHFFFAOYSA-N 201.225 2.853 0 40 BFAB in-vitro CC(C)Oc1ccc(-c2n[nH]cc2C=O)cc1 26513538 XBQRINSDBMNIHY-UHFFFAOYSA-N 230.267 2.676 0 40 BFAB C[C@@H]1c2cccn2CCN1C(=O)c1ccccc1 29378919 UJCHSUGGKHCFNB-GFCCVEGCSA-N 240.306 2.705 0 40 BFAB CC(C)N(CCN)Cc1c(F)cccc1Cl 32101919 SBDAJVFBLLWBLC-UHFFFAOYSA-N 244.741 2.648 0 40 BFAB C[C@H](CNC(=O)c1ccoc1)c1ccccc1 32201634 CKRXGHKGNHDCQK-LLVKDONJSA-N 229.279 2.813 0 40 BFAB C[C@H]1C[C@H](C)CN(C(=O)c2ccsc2)C1 32731184 YKSGDGJNHNHHPE-UWVGGRQHSA-N 223.341 2.866 0 40 BFAB CC(=O)Nc1cccc2ccc(C)nc12 34203950 XBAVHPDWXFOYPH-UHFFFAOYSA-N 200.241 2.502 0 40 BFAB C[C@H]1C[C@H](C)CN(Cc2nnsc2Cl)C1 35164950 SFUIILRXKBXIQJ-YUMQZZPRSA-N 245.779 2.669 0 40 BFAB CCN[C@@H](Cc1ccc(C)cc1)C1CC1 37992969 KQSGRAMLNUKHIP-AWEZNQCLSA-N 203.329 2.926 0 40 BFAB in-vitro C[C@@H](CO)c1cccc(Br)c1 39295762 CNKJJFVUWHGEHX-ZETCQYMHSA-N 215.090 2.545 0 40 BFAB c1ccc([C@@H]2CCN[C@@H](CN3CCCC3)C2)cc1 39982824 NEMBOXPYMBMMTE-HZPDHXFCSA-N 244.382 2.618 0 40 BFAB c1ccc(SCc2nc(C3CC3)no2)nc1 40066959 PIEDXFIQXBWOPL-UHFFFAOYSA-N 233.296 2.634 0 40 BFAB Cc1ccsc1C(=O)N(C)[C@@H](C)C1CC1 40490141 KTJKUAQCZNVJMR-VIFPVBQESA-N 223.341 2.927 0 40 BFAB Cc1ccccc1CCNC(=O)CC(C)C 45600804 FWXDFHNCUHBYMA-UHFFFAOYSA-N 219.328 2.700 0 40 BFAB Cc1ccc(CN(C)C(=O)C(C)C)cc1 45675830 SJQJRYHRPNNEHA-UHFFFAOYSA-N 205.301 2.609 0 40 BFAB COC(=O)c1cc(Cl)cc2c1OCC=C2 47844975 PRPBLCNNEATXKU-UHFFFAOYSA-N 224.643 2.532 0 40 BFAB CC(C)CCC(=O)Nc1ccc(N(C)C)cn1 49475656 DFEONCKUFJNMPH-UHFFFAOYSA-N 235.331 2.522 0 40 BFAB CCC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 55274558 FISZKMZDSPXLAU-YUMQZZPRSA-N 223.238 2.634 0 40 BFAB NC1(c2cc(Cl)ccc2Cl)CC1 71508344 CWKWHCDCFBSKLE-UHFFFAOYSA-N 202.084 2.941 0 40 BFAB OC1=N[C@H](c2ccsc2)N2CCCC[C@@H]12 71967382 WAENQLOOEBXYDO-UWVGGRQHSA-N 222.313 2.571 0 40 BFAB CC(C)c1c(-c2ccccc2)n[nH]c1C(=O)O 72220422 JOWTWMQEMNYOGM-UHFFFAOYSA-N 230.267 2.898 0 40 BFAB CCc1cc(C=O)n(Cc2ccccc2)c1 78404989 OEFPLRSXGFISNV-UHFFFAOYSA-N 213.280 2.911 0 40 BFAB CC[C@H](C)C[C@@H](C)NC(=O)NCc1ccncc1 78933106 DOKIXVPNGNBLBC-NWDGAFQWSA-N 249.358 2.706 0 40 BFAB Cc1oc2ccc(CC(=O)O)cc2c1C 82380662 AKKCLCWSGUQJBE-UHFFFAOYSA-N 204.225 2.677 0 40 BFAB O=C(O)c1ccc2cc[nH]c2c1Br 89209049 ZGHKVOQTYMASHH-UHFFFAOYSA-N 240.056 2.629 0 40 BFAB Clc1ccc2[nH]c(-c3ccccn3)nc2n1 96311551 XUZWTKJHGRXUMH-UHFFFAOYSA-N 230.658 2.673 0 40 BFAB Cc1cccc(C(=O)N[C@H](CCO)C(C)(C)C)c1 97046216 GFRWBWNPVYDIKP-CYBMUJFWSA-N 249.354 2.522 0 40 BFAB CC[C@@H](NCC(F)(F)F)c1c(C)noc1C 97111154 DTMJHSHVVJGFKG-MRVPVSSYSA-N 236.237 2.894 0 40 BFAB NC(=O)CCSCC1CCCCCC1 97115491 RQIJPUGTKXHMKE-UHFFFAOYSA-N 215.362 2.565 0 40 BFAB O=CN[C@H]1[C@H]2CCC[C@H]1C1=C(CCCC1)C2 100747889 OPGGUOVDVBLPOW-UBHSHLNASA-N 219.328 2.792 0 40 BFAB biogenic CCCCNCc1c(C)[nH]c2ccccc2c1=O 217438490 LRSIAOKHXMBVIX-UHFFFAOYSA-N 244.338 2.726 0 40 BFAB CC(C)CCO[C@@H]1CN[C@@H](CC(C)C)C1 217860516 BUMMCWGQGWTXCH-STQMWFEESA-N 213.365 2.826 0 40 BFAB CCCn1c(C)nc2cc(C)c(N)cc21 223769818 YLLAGDFHIUYINM-UHFFFAOYSA-N 203.289 2.645 0 40 BFAB O=C(Nc1ccccc1F)N1CC[C@@H](CF)C1 877912827 ANUXWSQDHVAFNH-VIFPVBQESA-N 240.253 2.649 0 40 BFAB CCNC(=O)c1cc2c(Cl)cccc2nc1C 1524482406 KEPLHBIUULEOQN-UHFFFAOYSA-N 248.713 2.946 0 40 BFAB Cc1cc(C=C(Cl)Cl)oc(=O)c1 116058 CUFQFWNJOPUEAC-UHFFFAOYSA-N 205.040 2.724 0 40 BFAB Cc1cc(C(=O)c2ccccc2)ccc1N 2037499 ZCVUMNJAVAXADT-UHFFFAOYSA-N 211.264 2.808 0 40 BFAB C[C@@H](Nn1nnc2ccccc21)c1ccccc1 2568375 ZNKDFAUZPHKYJI-LLVKDONJSA-N 238.294 2.736 0 40 BFAB COc1ccccc1CNc1ccccn1 3160781 RGOSYQVWITXDSM-UHFFFAOYSA-N 214.268 2.702 0 40 BFAB CCCCCC(C)(C)NC(=O)CN(CC)CC 4016844 ASROULWVPKNPSX-UHFFFAOYSA-N 242.407 2.803 0 40 BFAB CCOc1ccc2c(c1)c(C[C@@H](C)N)cn2CC 9421887 GSANBSZQIKNWFM-LLVKDONJSA-N 246.354 2.950 0 40 BFAB Cc1ccc([C@H](N)c2ccccn2)c(C)c1 11737326 MHZQYRCLDDYGTG-AWEZNQCLSA-N 212.296 2.747 0 40 BFAB Nc1ccc(OCC(F)F)c(Cl)c1 12395508 GBJMFEWPRHZXOW-UHFFFAOYSA-N 207.607 2.566 0 40 BFAB COC(=O)[C@@H](C)Oc1cccc(Cl)c1Cl 16973621 SFNXXHCNMGZERC-ZCFIWIBFSA-N 249.093 2.934 0 40 BFAB Cc1ccccc1OCCNCc1cccnc1 19737629 DQDIFVCVLAPRIC-UHFFFAOYSA-N 242.322 2.559 0 40 BFAB Nc1cccc(CSc2ccccn2)c1 19846328 WHWVLAXMWKZUPO-UHFFFAOYSA-N 216.309 2.956 0 40 BFAB in-vitro CCCN1CCC(NCc2ccccc2)CC1 19886012 QSJXFJNMZMPGPJ-UHFFFAOYSA-N 232.371 2.651 0 40 BFAB COCc1noc(N)c1-c1ccc(Cl)cc1 26512601 NVEBMNFIWHPXMT-UHFFFAOYSA-N 238.674 2.724 0 40 BFAB O=C(O)C/C=C\CCCCCCCC(=O)O 31159201 KOJGUMRURQVAIH-ALCCZGGFSA-N 228.288 2.833 0 40 BFAB biogenic,in-vitro CCOC(=O)[C@@H]1C[C@H](c2ccccc2)CCC1=O 38665662 JZNYKTFYDHOKCD-CHWSQXEVSA-N 246.306 2.703 0 40 BFAB Cc1ccc([C@@H](O)c2ccoc2)c(C)c1 40245973 XPFKMGZVSPSGMH-ZDUSSCGKSA-N 202.253 2.978 0 40 BFAB Cc1cc(CN(C)C(=O)c2ccccc2C)no1 40505348 YNINVIFOCBOWJE-UHFFFAOYSA-N 244.294 2.564 0 40 BFAB CN(CC[C@H]1CCCNC1)C1CCCCC1 42783370 APDKCTUOVXSYTM-CYBMUJFWSA-N 224.392 2.641 0 40 BFAB CO[C@H](CNC(=O)CC(C)C)c1ccccc1 43518377 WGLUBDQLFLRMRZ-CYBMUJFWSA-N 235.327 2.536 0 40 BFAB CCOC(=O)c1cnc2c(C)cccc2c1NC 48623243 BDSREWLMRPAAOK-UHFFFAOYSA-N 244.294 2.762 0 40 BFAB Cc1ccc(C)c(S[C@H](C)C(=O)N(C)C)c1 69349329 RNTUEFKHNRHOLM-LLVKDONJSA-N 237.368 2.872 0 40 BFAB Cc1cc(C(=O)O)cnc1N(C)c1ccccc1 72222297 PVJAVICIXRGSDE-UHFFFAOYSA-N 242.278 2.856 0 40 BFAB Cc1cccnc1NCc1ccc(O)cc1 72226345 PXYRNBGFPSJTSY-UHFFFAOYSA-N 214.268 2.708 0 40 BFAB Oc1cccc2sc(Br)nc12 75842544 OVTAINLQDIHKSW-UHFFFAOYSA-N 230.086 2.764 0 40 BFAB in-vitro Cc1cc(Cl)ccc1NC(=O)c1cnco1 82324868 KWLNEGZGTUKFAP-UHFFFAOYSA-N 236.658 2.889 0 40 BFAB Clc1cc(Cl)nc([C@H]2CCCO2)n1 83710644 ZLJXHFZMHHYKTL-RXMQYKEDSA-N 219.071 2.635 0 40 BFAB Cn1cccc1[C@@H](O)c1ccc(F)c(Cl)c1 95727646 MKIIHTRXIQCDEO-LBPRGKRZSA-N 239.677 2.899 0 40 BFAB OCCN[C@H](c1cccc(F)c1)C1CCCC1 95985775 NRTCAFTUJSKWKW-AWEZNQCLSA-N 237.318 2.639 0 40 BFAB CCCCOc1ccc(F)c(CC(=O)O)c1F 98210721 NRIDBSKTABRTOC-UHFFFAOYSA-N 244.237 2.771 0 40 BFAB Clc1ncnc(N2CCCC2)c1-n1cccc1 217468809 BMQVOUNOUCUYSF-UHFFFAOYSA-N 248.717 2.521 0 40 BFAB COc1ccc(-n2cccc2/C=C/C(=O)O)cc1 223751761 JQHPLIJGQRZOJO-RMKNXTFCSA-N 243.262 2.584 0 40 BFAB OCCCc1cc(F)c(F)c(Cl)c1 228907614 VFPQYBIFFMOITE-UHFFFAOYSA-N 206.619 2.543 0 40 BFAB C[C@@]12CCN(Cc3ccccc3Cl)C[C@@H]1O2 242463921 DQMUCOLXAAYBQX-QWHCGFSZSA-N 237.730 2.703 0 40 BFAB COC(=O)c1cc(F)cc(OC(F)(F)F)c1 396108005 APIMSUJFTDCHLI-UHFFFAOYSA-N 238.136 2.511 0 40 BFAB CC1(C)C(=O)C[C@H]1COCc1ccccc1 613822190 RHQCDCBWHHVVRC-LBPRGKRZSA-N 218.296 2.818 0 40 BFAB COc1ccc2c(CO)cc(C3CC3)nc2c1 685936829 BXVOOIDAUAOYAH-UHFFFAOYSA-N 229.279 2.613 0 40 BFAB COC(=O)Nc1nc(C(C)(C)C)cs1 1052090 WPFAXOGAXWFQAT-UHFFFAOYSA-N 214.290 2.619 0 40 BFAB CCCCCCOC(=O)[C@@H](O)c1ccccc1 2037268 WTWKQARYVVXCNG-ZDUSSCGKSA-N 236.311 2.844 0 40 BFAB COc1ccc(NC(=O)C(C)(C)C)c(OC)c1 3192501 ASCWINKALJRDMY-UHFFFAOYSA-N 237.299 2.688 0 40 BFAB O=C1O[C@@H](c2ccccc2)O[C@@H]1c1ccccc1 3844110 ZETHIMXJYSHLHZ-HIFRSBDPSA-N 240.258 3.000 0 40 BFAB biogenic Cc1cc(C)c(NC(=O)[C@H]2CCCN2C)c(C)c1 4893737 OHFQNJAIZIYKSC-CYBMUJFWSA-N 246.354 2.645 0 40 BFAB O=C(NCc1ccco1)c1cc2c(s1)CCC2 6639394 VBOIMZDCGKRAPO-UHFFFAOYSA-N 247.319 2.760 0 40 BFAB Oc1nnc(-c2ccccc2)cc1C(F)(F)F 8855844 UHVAXGANCIBPTG-UHFFFAOYSA-N 240.184 2.868 0 40 BFAB O=C(Nc1cccc(F)c1)[C@H]1CC1(Cl)Cl 10024699 FXUZDARKUSVZEV-MRVPVSSYSA-N 248.084 2.958 0 40 BFAB Cc1ccc([C@@H](NC=O)c2cccs2)cc1 10493647 SYQBSSYVYAZTSX-CYBMUJFWSA-N 231.320 2.892 0 40 BFAB Cc1cc2nc(-c3ccc[nH]c3=O)[nH]c2cc1C 13125346 RFHFUGMAUREQBB-UHFFFAOYSA-N 239.278 2.535 0 40 BFAB CC(C)C[C@H](N)c1nc2ccccc2n1C 19734955 SGSHVKLMBDWCDI-JTQLQIEISA-N 217.316 2.619 0 40 BFAB Cc1ccc(CNC(=O)c2cccc(O)c2)cc1 19840231 VAAGJEGCKGUTQM-UHFFFAOYSA-N 241.290 2.631 0 40 BFAB Cc1c2c(nc3cc4c(cc13)OCO4)CCC2 24513179 VPFOXYSAQWJJRC-UHFFFAOYSA-N 227.263 2.761 0 40 BFAB Cc1nn(C)cc1NC(=O)c1ccccc1Cl 32610455 QJVJMZVZSDWXAE-UHFFFAOYSA-N 249.701 2.634 0 40 BFAB COCCCNCc1ccccc1OC(C)C 33466316 OGGUNGULUPDNKX-UHFFFAOYSA-N 237.343 2.600 0 40 BFAB COc1ccccc1Cn1c(C)cc(CN)c1C 34936130 UGPVZFFSCCKZOK-UHFFFAOYSA-N 244.338 2.621 0 40 BFAB C[C@@H](O)c1cc(F)ccc1N1CCCCC1 35631411 IKLAXQUYJJNIQD-SNVBAGLBSA-N 223.291 2.869 0 40 BFAB Nc1nc(-c2cccc(OC(F)F)c2)cs1 36905141 FABZGGZMVVMEGN-UHFFFAOYSA-N 242.250 2.994 0 40 BFAB Cc1ccc([C@H](O)c2ccoc2)cc1C 40241880 FCOXOSLXLGWHCY-ZDUSSCGKSA-N 202.253 2.978 0 40 BFAB CC(C)(C)c1cccc(OC[C@@H]2CCNC2)c1 42772808 AMAXXXMPMZUGKM-GFCCVEGCSA-N 233.355 2.972 0 40 BFAB Cc1c(/C=C/C(=O)O)c2ccccc2n1C 44201369 DXIWLQZYHVILSJ-BQYQJAHWSA-N 215.252 2.585 0 40 BFAB O=C(O)[C@@H](O)c1ccccc1C1CCCCC1 44830215 IYARFMGWMMKLOE-ZDUSSCGKSA-N 234.295 2.852 0 40 BFAB Cc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2C)on1 45082186 YSMXNWHZMCBZDH-KOLCDFICSA-N 236.315 2.634 0 40 BFAB C[C@@H]1CCCN(Cc2nc(C(C)(C)C)no2)C1 65550923 SMAVIRBQHYJZFL-SNVBAGLBSA-N 237.347 2.599 0 40 BFAB c1c[nH]c([C@@H]2CCCN2CCc2ccncc2)c1 69774694 SUIDIQRANAXQEZ-HNNXBMFYSA-N 241.338 2.789 0 40 BFAB C[C@H](NCCc1cccs1)[C@@H](C)n1cccn1 69951283 WZNHZERPRUNSAT-NWDGAFQWSA-N 249.383 2.726 0 40 BFAB OC[C@@H]1C[C@@H]1c1ccc(Br)cc1 70453305 AVYSEWDQKFGYMF-WCBMZHEXSA-N 227.101 2.545 0 40 BFAB Brc1ccccc1C[C@H]1CCNC1 71549968 GZSZDYKDXCNFQZ-SECBINFHSA-N 240.144 2.601 0 40 BFAB CCCCOc1ccc(C(=O)O)cc1C(C)=O 85390050 SKFHMGBUBRMZGT-UHFFFAOYSA-N 236.267 2.766 0 40 BFAB CCn1cc(-c2cc(F)cc(F)c2)cn1 85391536 RVXIPUCTBMVDQK-UHFFFAOYSA-N 208.211 2.848 0 40 BFAB Cn1ccc(NCc2cc3cc(F)ccc3o2)n1 89756690 AIUOLYGLLRLZQK-UHFFFAOYSA-N 245.257 2.918 0 40 BFAB c1ccc(NCCNc2ccccn2)cc1 95398952 PXECQVDVECCLCB-UHFFFAOYSA-N 213.284 2.606 0 40 BFAB CC[C@H](N)c1cc(F)ccc1Br 95674352 RVKKUPFZTBJBOM-VIFPVBQESA-N 232.096 2.998 0 40 BFAB CSc1ccc([C@@H](O)c2ccccn2)cc1 95727435 GMDXSIWCCDDIQL-CYBMUJFWSA-N 231.320 2.885 0 40 BFAB COc1cc(F)cc(F)c1Br 95935093 IQMKRBVZNZJPQC-UHFFFAOYSA-N 223.016 2.736 0 40 BFAB c1csc(-c2ccnc([C@H]3CCCNC3)n2)c1 96895511 XFBYGNCIMPYRAA-JTQLQIEISA-N 245.351 2.672 0 40 BFAB CCCCCNCc1ccnn1CCC 164826238 QUMZOQNQIODIHB-UHFFFAOYSA-N 209.337 2.573 0 40 BFAB Cc1noc(C)c1CO[C@H]1CCCc2c[nH]nc21 188941346 VFRWCTFVXWEJAP-LBPRGKRZSA-N 247.298 2.609 0 40 BFAB CCc1ccccc1-n1ncc2c1CCCC2=O 199728155 HZHPIQRBFJZHAD-UHFFFAOYSA-N 240.306 2.954 0 40 BFAB N[C@@H]1CCCC[C@@H]1Nc1ccc(F)cc1F 218866656 UQCAMMUECKXEKP-PWSUYJOCSA-N 226.270 2.647 0 40 BFAB CC[C@@H](C(=O)O)N(CC)c1ccc(C)cc1 224981410 HSHHYNLBYNQFAI-LBPRGKRZSA-N 221.300 2.685 0 40 BFAB CCCCO[C@H](Cc1ccccc1F)C(=O)O 225052966 QIQAUMQCTYHSOQ-GFCCVEGCSA-N 240.274 2.638 0 40 BFAB CC(C)Cn1c(CO)ccc1Cc1ccco1 226031302 DLVLEHKHSHIKNT-UHFFFAOYSA-N 233.311 2.820 0 40 BFAB Fc1cc2nc[nH]c2cc1OC(F)(F)F 238546664 UCHNUQVWOUZBAT-UHFFFAOYSA-N 220.125 2.601 0 40 BFAB CCCN(c1cc(C)cc(C)c1)[C@H](C)C(=O)O 260679499 PHOJELUKZUZONF-GFCCVEGCSA-N 235.327 2.993 0 40 BFAB c1ccc(CN2CCNc3cnccc32)cc1 306615686 NYNDSZSXQMHROO-UHFFFAOYSA-N 225.295 2.514 0 40 BFAB CC[C@@H](C)OCc1ccnn1C(F)F 408716764 QQZVBDBYJAMBCC-SSDOTTSWSA-N 204.220 2.593 0 40 BFAB COC(=O)[C@H]1C[C@H](C(F)(F)F)CC(F)(F)C1 953033709 JLHMDPWEZZKXCT-WDSKDSINSA-N 246.175 2.773 0 40 BFAB F[C@@H]1CCC[C@H]1Oc1ccnc(C2CC2)n1 1776009635 UPFYBJOGZFFVDD-NXEZZACHSA-N 222.263 2.623 0 40 BFAB c1ccc(-c2noc(-c3ccccn3)n2)cc1 386278 PLEXSHRWUIGICB-UHFFFAOYSA-N 223.235 2.799 0 40 BFAB O=C(Nc1ccncc1)[C@H]1C[C@H]1c1ccccc1 461490 NOMFGVQIYPJHNJ-KBPBESRZSA-N 238.290 2.824 0 40 BFAB CC(=O)N1CCO[C@H]1C(C)(C)CC=C(C)C 518395 HJGQZOKFMCPBEJ-LBPRGKRZSA-N 225.332 2.574 0 40 BFAB biogenic O=C(/C=C/c1ccco1)Nc1ccc(Cl)cn1 2910428 APEZOXOLPTZRLN-GQCTYLIASA-N 248.669 2.980 0 40 BFAB c1ccc(CNC2CCCCCC2)nc1 7365308 VCLOGZLTBQMDML-UHFFFAOYSA-N 204.317 2.894 0 40 BFAB O=C(Nc1ccccc1Cl)c1ccccn1 8286658 HZVXGDNZIYQFOO-UHFFFAOYSA-N 232.670 2.987 0 40 BFAB Cc1ccc(NC(=O)CC(C)(C)C)cc1N 8703528 PVFVABVUYCTMSG-UHFFFAOYSA-N 220.316 2.952 0 40 BFAB Cc1cccc(COC[C@@H]2CCCNC2)c1 14631109 REQIANPKMILSCH-CQSZACIVSA-N 219.328 2.511 0 40 BFAB CC1=N[C@@H]2C(C)=NN(c3ccccc3)[C@H]2N=C1C 16607950 MGCQYCXHUMKMKJ-ZIAGYGMSSA-N 240.310 2.513 0 40 BFAB CC(C)Cn1c([C@@H](C)N)nc2ccccc21 19734276 PBAFBSWGOGHJFY-SNVBAGLBSA-N 217.316 2.712 0 40 BFAB Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1N 22217773 VHAPCOSHZCMPRJ-GHMZBOCLSA-N 246.354 2.695 0 40 BFAB O=C(Cc1ccccn1)c1ccsc1 34940345 STWBMDFOUIXNHT-UHFFFAOYSA-N 203.266 2.569 0 40 BFAB CCOc1ccc2nc(N)cc(C)c2c1 39099093 FHWSLRFQXFUKDR-UHFFFAOYSA-N 202.257 2.524 0 40 BFAB CCc1cccc(NC(=O)N2CCO[C@H](C)C2)c1 40526329 XIAALZRERZHFEF-LLVKDONJSA-N 248.326 2.502 0 40 BFAB CCOC(=O)c1ccc(OC)cc1C(F)(F)F 44200889 DSTYHCGPTSYLKG-UHFFFAOYSA-N 248.200 2.891 0 40 BFAB CC1(C)Cc2cc([N+](=O)[O-])c(Cl)cc2O1 71778350 VPLQWDKEWDPMFK-UHFFFAOYSA-N 227.647 2.962 0 40 BFAB CC(=O)c1cc(F)cc(F)c1Br 75927738 CWJXCMNDHSEQCK-UHFFFAOYSA-N 235.027 2.930 0 40 BFAB CSc1cc(C(=O)O)nc(-c2ccccn2)c1 82310260 GMOYHULOHIAIDH-UHFFFAOYSA-N 246.291 2.564 0 40 BFAB CC(C)Cc1nnc(-c2ccccc2N)o1 85386232 LVFFIYKZKBACOT-UHFFFAOYSA-N 217.272 2.517 0 40 BFAB Cc1cc2c(o1)C[C@@H](C(F)(F)F)C[C@H]2O 85399181 HIAANWKGTVOURW-POYBYMJQSA-N 220.190 2.746 0 40 BFAB CC(C)(C)OC(=O)N1CCc2occc2C1 90635796 AEIQKXMKADMJOP-UHFFFAOYSA-N 223.272 2.573 0 40 BFAB CC(C)(C)c1nc(C(=O)N2CCCC2)cs1 96402851 AZEXFLVBSVRPRU-UHFFFAOYSA-N 238.356 2.677 0 40 BFAB COC(=O)CCc1c[nH]c2ccc(Cl)cc12 113640602 FJAZNPLDRGFDJW-UHFFFAOYSA-N 237.686 2.927 0 40 BFAB Cc1ccc(N2CCN[C@H]3CCCC[C@@H]32)c(F)c1 225714323 ONFUVKOVDLNWCX-ZFWWWQNUSA-N 248.345 2.855 0 40 BFAB CCOC(=O)c1ccc(C(=O)C2CCCC2)o1 261199689 XHBOSTSUFZJGDB-UHFFFAOYSA-N 236.267 2.829 0 40 BFAB COCC(=O)c1cc(OC)c(Cl)cc1Cl 308786006 GAPKETYJZSLERE-UHFFFAOYSA-N 249.093 2.831 0 40 BFAB Cc1cnc(Cl)nc1-c1ccc(N)cc1 616567923 XMXJKUOXMPFHHC-UHFFFAOYSA-N 219.675 2.688 0 40 BFAB Cc1[nH]c2cc(O)ccc2c(=O)c1C(C)C 685938720 UBJYMCRHCIUCMK-UHFFFAOYSA-N 217.268 2.666 0 40 BFAB CC(C)(C)NC(=O)/C=C/c1ccc(F)cc1 512637 FFFTTZCVHCSIFU-RMKNXTFCSA-N 221.275 2.754 0 40 BFAB O=C(Nc1ccc(F)cc1)Nc1ccccn1 759023 BATFOJVZVVSTFV-UHFFFAOYSA-N 231.230 2.865 0 40 BFAB C=C(Br)c1ccc2c(c1)OCO2 1613351 SFQDXVYKRJNPSU-UHFFFAOYSA-N 227.057 2.781 0 40 BFAB COc1cc2ccnc(C)c2cc1OC 1705987 VBMZFACBWDZUSM-UHFFFAOYSA-N 203.241 2.560 0 40 BFAB endogenous,in-man OC1C2c3ccccc3C1c1ccccc12 1712279 FAEHAQYLNLUAJH-UHFFFAOYSA-N 208.260 2.638 0 40 BFAB CC[C@H]1CCCCN1C(=O)c1ccco1 2750608 LADITAMZKFVMBQ-JTQLQIEISA-N 207.273 2.684 0 40 BFAB CC(C)C(=O)Nc1cccc2cccnc12 5293753 HRMKVLWLIRLLKK-UHFFFAOYSA-N 214.268 2.829 0 40 BFAB NCc1cccc(CN2CCCCCC2)c1 6677786 SUTMDIQABALFGJ-UHFFFAOYSA-N 218.344 2.521 0 40 BFAB in-vitro O=C(Nc1cccc2ncccc12)C1CCC1 7757891 RQDSNGJHHAGMRR-UHFFFAOYSA-N 226.279 2.973 0 40 BFAB O=C(CSc1nncs1)c1cccs1 7814564 XMQAYSMOSONXDX-UHFFFAOYSA-N 242.350 2.575 0 40 BFAB CC1=C(C)[C@@H](c2ccccc2)NC(S)=N1 8686602 LVLSWQUSHVNHNB-NSHDSACASA-N 218.325 2.911 0 40 BFAB CCc1nnc(CN2CCCc3ccccc32)o1 12553409 YKZCHXYSXFACQA-UHFFFAOYSA-N 243.310 2.585 0 40 BFAB C[C@@H]1C[C@@H]1C(=O)NCc1nc2ccccc2s1 13012708 XOOHHYBKKRISRR-BDAKNGLRSA-N 246.335 2.569 0 40 BFAB CC[C@@H](C)[C@@H](N)c1nc2ccccc2[nH]1 19266441 XZPXJYCEDOOLIW-LDYMZIIASA-N 203.289 2.609 0 40 BFAB CCc1ccc(CNCCN(CC)CC)cc1 19919172 GBMILCZUFBEJPN-UHFFFAOYSA-N 234.387 2.680 0 40 BFAB Cc1ccc([C@@H](C)NC(=O)c2ccoc2)o1 23306467 VXYOIACXSYCTNN-SECBINFHSA-N 219.240 2.672 0 40 BFAB O=C(c1ccoc1)N1CCCCCCC1 32841487 WIUKAMWKPMZWGF-UHFFFAOYSA-N 207.273 2.686 0 40 BFAB COc1ccc([C@H](C)NC(=O)[C@H]2C[C@H]2C)cc1 35939841 COSNGNOZECLPTG-NRUUGDAUSA-N 233.311 2.528 0 40 BFAB O=C(Nc1ccncc1)c1cccc2[nH]ccc12 36165814 AUYCKMCNFSZVCD-UHFFFAOYSA-N 237.262 2.815 0 40 BFAB CC(C)CCNC(=O)NC1CCCCC1 36179604 DOBCNFSPNIQZNR-UHFFFAOYSA-N 212.337 2.664 0 40 BFAB CN[C@H](c1ccc(C)cc1)c1ccccn1 37467470 DNLNMMSVFORYMD-CQSZACIVSA-N 212.296 2.699 0 40 BFAB in-vitro CCCc1nc(C)c(C(=O)NC(C)(C)C)s1 42795183 YMEJHIQUVFESKU-UHFFFAOYSA-N 240.372 2.932 0 40 BFAB CCc1ccc(C(=O)C[C@@H](C)CC(=O)O)cc1 43214248 HIZDKYYHXZXCAF-SNVBAGLBSA-N 234.295 2.933 0 40 BFAB CCNC(=O)Nc1ccc(F)c(Cl)c1 43468025 CHRPXTKSPQVIHS-UHFFFAOYSA-N 216.643 2.621 0 40 BFAB NC(=O)c1sccc1-c1ccc(F)cc1 49420008 SYLZZAVNTIYIQD-UHFFFAOYSA-N 221.256 2.653 0 40 BFAB O=C(Nc1cccs1)OCC(F)(F)F 58038071 KHZDHCVOPQWNOV-UHFFFAOYSA-N 225.191 2.859 0 40 BFAB in-vitro CCN1CCC[C@H]1c1cccc(OC)c1 65575461 NVKKYTLMNCEFSE-ZDUSSCGKSA-N 205.301 2.852 0 40 BFAB OCc1cc(C(F)(F)F)nc(C(F)(F)F)c1 71789055 UBVZPATWMLNESO-UHFFFAOYSA-N 245.122 2.612 0 40 BFAB CCSc1ccc([C@@H]2CCCN2C)cn1 72217106 DSJLMKGUDSTHKA-NSHDSACASA-N 222.357 2.960 0 40 BFAB Cc1cc(N2CCCC2)ncc1C1=NCCCC1 72218871 WPGJFDGAOCLFAE-UHFFFAOYSA-N 243.354 2.963 0 40 BFAB CO[C@@H](c1ccc(CC(=O)O)cc1)C(C)C 72220142 OYNBQIUNYAXYNO-CYBMUJFWSA-N 222.284 2.657 0 40 BFAB O=C(Cc1ccco1)Nc1ccccc1F 74696899 VYDYFSXXRDOJFO-UHFFFAOYSA-N 219.215 2.600 0 40 BFAB O=C(O)c1c(C2CC2)nc2ccc(Cl)cn12 82694748 VDEZDSUKQNTHCU-UHFFFAOYSA-N 236.658 2.563 0 40 BFAB CCCCCCNC(=O)N1CCCSCC1 84743131 GNBXVYXRSADQJL-UHFFFAOYSA-N 244.404 2.715 0 40 BFAB Cn1cc(Cl)cc(-c2ccccc2)c1=O 85385203 MGUJZAQJHWAXTB-UHFFFAOYSA-N 219.671 2.706 0 40 BFAB CC(=O)c1cc(C(=O)O)ccc1OCC(C)C 85390039 HICRROARXJGGSS-UHFFFAOYSA-N 236.267 2.622 0 40 BFAB CCOC(=O)c1cn(CC)c2ccccc12 89203504 DKTASPVYNKDYMO-UHFFFAOYSA-N 217.268 2.838 0 40 BFAB Cc1cc(C)c2cc(CN)c(Cl)nc2c1 89261988 DMHNYAPOSVUZNG-UHFFFAOYSA-N 220.703 2.964 0 40 BFAB O=C(C1CCCC1)N1CC[C@H]2CCCC[C@H]21 89818677 XQYAVRQKNONDLS-DGCLKSJQSA-N 221.344 2.968 0 40 BFAB Cc1ccoc1[C@H](C)NC[C@H](O)CC(C)C 90061976 FOFQWNZGXXGCLW-NWDGAFQWSA-N 225.332 2.646 0 40 BFAB Cc1ccsc1[C@H](C)N[C@@H]1CCC[C@@H]1CO 96478432 BKJOMYKQWQREKQ-QJPTWQEYSA-N 239.384 2.868 0 40 BFAB CN(C(=O)[C@H]1C[C@H]2C=C[C@H]1C2)C1CCCC1 102208326 DEROZQCKXNRGDE-GVXVVHGQSA-N 219.328 2.600 0 40 BFAB O=Cc1cccc(C(=O)OCc2ccccc2)c1 113548871 XWRVTPYDXSCQNK-UHFFFAOYSA-N 240.258 2.856 0 40 BFAB COc1ccc(Br)cc1CF 215653330 NSZYKNQOPWOPFC-UHFFFAOYSA-N 219.053 2.927 0 40 BFAB CCCOc1c(Cl)cc(F)cc1C(=O)O 225277417 UIESCTHEILPJPT-UHFFFAOYSA-N 232.638 2.966 0 40 BFAB CNc1ccc(NC(=O)c2ccco2)c(OC)c1 226285741 QIBYMNSSIJHKIV-UHFFFAOYSA-N 246.266 2.582 0 40 BFAB N[C@@H](CCC1CCCCCCC1)C(=O)O 308968792 OBNMLTRRQGUOEW-NSHDSACASA-N 213.321 2.539 0 40 BFAB CCCC(=O)OCC(C)(C)C(F)(F)F 1083808011 TUNVFOUAOZGJLL-UHFFFAOYSA-N 212.211 2.918 0 40 BFAB COc1ccc(C(=O)Nc2ccc(F)c(C)c2)o1 1520629389 PTVIUHBQNVSIJU-UHFFFAOYSA-N 249.241 2.988 0 40 BFAB C[C@@H]1C(=O)C(C)(C)C(=O)O[C@H]1c1ccccc1 247227 ALAYLHOMFJAZKV-GXSJLCMTSA-N 232.279 2.516 0 40 BFAB C[C@@H]1Cc2ccccc2N1C(=O)c1ccncc1 419834 DRINHURIOWNUEJ-LLVKDONJSA-N 238.290 2.673 0 40 BFAB Cc1nc(C)c(C(=O)Nc2ccc(F)cc2)o1 4148071 GTPLNLJXPPIITG-UHFFFAOYSA-N 234.230 2.683 0 40 BFAB CCc1nc(C)cn1C(=O)C1CCCCC1 5634213 GZWZRXCNSZXOFT-UHFFFAOYSA-N 220.316 2.974 0 40 BFAB C[C@@H](Cc1nnc(S)o1)c1ccccc1 5869063 NYRWGKXSCPJOSZ-QMMMGPOBSA-N 220.297 2.705 0 40 BFAB in-vitro CCN(C(=O)n1ccnc1)C1CCCCC1 8393169 GJQJMWUOOHDRCJ-UHFFFAOYSA-N 221.304 2.506 0 40 BFAB Cc1cccc(CN2CCC(CCN)CC2)c1 15423970 PQCQVLCNDWBBAX-UHFFFAOYSA-N 232.371 2.556 0 40 BFAB FC(F)Oc1ccc(CNC2CC2)cc1 21962094 FKINJTLONPFABH-UHFFFAOYSA-N 213.227 2.540 0 40 BFAB O=Cc1cccc(OCCN2CCCCCC2)c1 31978434 ZMLXVJYDCYVVIE-UHFFFAOYSA-N 247.338 2.754 0 40 BFAB Cc1ccc(C(=O)N2CCC[C@H](C)C2)s1 33023545 YVNRFJVSYLPTBY-VIFPVBQESA-N 223.341 2.929 0 40 BFAB FC(F)(F)CCNCc1ccccc1 37855244 ABZBPAZWTDQHLE-UHFFFAOYSA-N 203.207 2.729 0 40 BFAB in-vitro COc1ccc(Cl)c(C2CCNCC2)c1 38539430 RIPIOQSOUBYXHQ-UHFFFAOYSA-N 225.719 2.816 0 40 BFAB COc1ccc([C@@](C)(O)C(C)C)cc1OC 55191970 VBBNELSKPFMPAN-ZDUSSCGKSA-N 224.300 2.567 0 40 BFAB CCc1noc(CN(C)C2CCC(C)CC2)n1 58283212 MYQMPJQBUHELJV-UHFFFAOYSA-N 237.347 2.643 0 40 BFAB NC1(Cc2ccc(C(F)(F)F)cc2)CC1 59551461 NDTYOBBFEXGTHD-UHFFFAOYSA-N 215.218 2.739 0 40 BFAB CCCCCCNC(=O)NCC(C)C 71793377 HBOSIFBELCRBIL-UHFFFAOYSA-N 200.326 2.522 0 40 BFAB CCCCS[C@@H](C)C(=O)Nc1cc(C)n[nH]1 71904775 DXZIBWHSIXIWGU-VIFPVBQESA-N 241.360 2.578 0 40 BFAB Cc1cc([C@@H]2CCCN(C(C)C)C2)ccn1 72356964 NYKUVWBCTZCOQA-CQSZACIVSA-N 218.344 2.978 0 40 BFAB Fc1ccc(CN2CCC[C@H]2c2cc[nH]n2)cc1 72381365 WVRKEWDTZNICPS-AWEZNQCLSA-N 245.301 2.886 0 40 BFAB Cc1ccc([C@@H](O)c2ccccc2)c(N)c1 75109564 XZEKURUKOJMJLQ-AWEZNQCLSA-N 213.280 2.659 0 40 BFAB Cc1nccc(C(=O)OC[C@@H]2CC=CC[C@H]2C)n1 79790606 BURHNMUPWULKKC-PWSUYJOCSA-N 246.310 2.544 0 40 BFAB Cc1nc(-c2cc3c(s2)CCNC3)cs1 90225678 CKJIXPZEBBPLQB-UHFFFAOYSA-N 236.365 2.826 0 40 BFAB in-vitro CCN(CC)c1ccc(CC(C)(C)O)cc1 95739038 QYDVZCXABBKWGC-UHFFFAOYSA-N 221.344 2.846 0 40 BFAB CCC[C@H](N)CN(CCC)Cc1ccco1 96523979 BEBLHJROPMQYPF-LBPRGKRZSA-N 224.348 2.619 0 40 BFAB CCN1CCC[C@@H]1CNCCCC1CCC1 96528626 LXGYRBZUQNTFFV-CQSZACIVSA-N 224.392 2.641 0 40 BFAB C/C(=C\c1ccc(F)cc1)C(=O)Nc1cn[nH]c1 98056303 PJNPKEWNHWMMEW-RMKNXTFCSA-N 245.257 2.591 0 40 BFAB Cc1ccc(CC(=O)CC(=O)C(F)(F)F)cc1 101691750 FOTCJBROBGJIIQ-UHFFFAOYSA-N 244.212 2.628 0 40 BFAB c1ccc([C@H]2CCOC3(CCNCC3)C2)cc1 205673505 IANNZVNSFSYCDN-AWEZNQCLSA-N 231.339 2.703 0 40 BFAB CC(C)n1nnc2c(Br)cccc21 211078416 ZDMVLGNNICPFQV-UHFFFAOYSA-N 240.104 2.775 0 40 BFAB CCc1ccc(C[C@H]2C[C@@H]2C(=O)O)cc1 217822263 PTDUREYVXGVFIL-RYUDHWBXSA-N 204.269 2.512 0 40 BFAB CCCNC(=O)NCCCc1ccc(C)cc1 225772986 XWSBXZVLDNBFQS-UHFFFAOYSA-N 234.343 2.637 0 40 BFAB CCCC(=O)c1cccc(C(=O)OCC)c1 309230906 XAPGHHILGAYIDL-UHFFFAOYSA-N 220.268 2.846 0 40 BFAB COc1ccc2[nH]cc(C(C)C)c(=O)c2c1 685938485 UYGHPCFMMNBJJE-UHFFFAOYSA-N 217.268 2.660 0 40 BFAB C[n+]1cc2sccc2c2cscc21 481004 UUGWNYSFFXIWDN-UHFFFAOYSA-N 206.315 2.941 0 40 BFAB O=C(/C=C/c1ccco1)NCc1ccccc1 574602 WNFJTJMDEPLRCQ-CMDGGOBGSA-N 227.263 2.609 0 40 BFAB CCCNC(=O)Nc1ccc(OCC)cc1 1739186 UVVSJQFMVGKQCC-UHFFFAOYSA-N 222.288 2.617 0 40 BFAB Cc1ccc2c(CC(=O)O)c(C)[nH]c2c1C 1848249 ULGYSCIYCHOGKV-UHFFFAOYSA-N 217.268 2.720 0 40 BFAB O=C(NCc1ccc(F)cc1)c1ccccc1F 3093735 XKOVNSLYFYYKJD-UHFFFAOYSA-N 247.244 2.895 0 40 BFAB Cc1cc(C)n2nc(SC3CCCC3)nc2n1 4089736 FFYSYIVJVNSDFR-UHFFFAOYSA-N 248.355 2.776 0 40 BFAB c1ccc(OC[C@H]2CCCN3CCCC[C@H]23)nc1 4450533 DHUKKIFFTZDUTP-ZIAGYGMSSA-N 246.354 2.725 0 40 BFAB biogenic O=C(Cc1ccsc1)NCc1cccs1 5617290 XLWOUXFVUHIWPR-UHFFFAOYSA-N 237.349 2.669 0 40 BFAB Cc1coc2ccc3ccc(=O)oc3c12 6072104 NHOICFAHZSXGJY-UHFFFAOYSA-N 200.193 2.848 0 40 BFAB c1ccc(-c2nc3c4ccccc4ncn3n2)cc1 9690953 WEVFZSPQCJMEPE-UHFFFAOYSA-N 246.273 2.945 0 40 BFAB CCc1ccc(NC(=S)NC(C)C)cc1 13789270 OKZFEFYPCOPHSF-UHFFFAOYSA-N 222.357 2.944 0 40 BFAB Cc1ccc(-c2csc3c(=O)[nH]cnc23)cc1 15829267 JQPMYUUPCQANEQ-UHFFFAOYSA-N 242.303 2.960 0 40 BFAB CCCC(=O)Nc1ccccc1C(C)=O 19505024 UWGPWWILADADDI-UHFFFAOYSA-N 205.257 2.628 0 40 BFAB COc1cccc2c3c([nH]c12)[C@@H](N)CCC3 20217028 ZBZPBOUQUHOUMF-JTQLQIEISA-N 216.284 2.513 0 40 BFAB CC(=O)Cc1c[nH]c2cc(Cl)ccc12 20269421 SCYTUZAXEFMDQM-UHFFFAOYSA-N 207.660 2.953 0 40 BFAB Cc1ccc(C)c(-c2cc(C=O)[nH]n2)c1 20270484 SACDVVXYACXVDB-UHFFFAOYSA-N 200.241 2.506 0 40 BFAB CC(=O)c1csc(NC(=O)c2ccccc2)n1 22532114 QAWPUCIPBVXKBG-UHFFFAOYSA-N 246.291 2.598 0 40 BFAB CC(C)(C)c1ccc(N2CCNC2=O)cc1 22996801 CEXQZKAKUMSWKI-UHFFFAOYSA-N 218.300 2.514 0 40 BFAB O=C(NCCc1cccc(F)c1)[C@@H]1CC=CCC1 32745067 LDEQCCOLIYLVQK-CYBMUJFWSA-N 247.313 2.841 0 40 BFAB CC1CCN(c2cccc(Cl)n2)CC1 32908964 UKLNEVJHAPFUJC-UHFFFAOYSA-N 210.708 2.971 0 40 BFAB CCCCC(=O)c1ccc2c(c1)CCO2 34481139 DBLUKVJZSMKEOF-UHFFFAOYSA-N 204.269 2.994 0 40 BFAB Cc1cc(Br)cc2nccnc12 39121583 DGGITVDNUKFNTJ-UHFFFAOYSA-N 223.073 2.701 0 40 BFAB in-vitro O[C@H](c1ccc2c(c1)OCCO2)c1cccs1 40247342 UIOUWTKMSGUBIB-CYBMUJFWSA-N 248.303 2.601 0 40 BFAB Cc1nc(CN2CCc3ccccc32)oc1C 40556362 CXXOAYIFAQQLTM-UHFFFAOYSA-N 228.295 2.854 0 40 BFAB Clc1ccc(OCC2OCCO2)cc1Cl 41302622 MOIVQWRKOMUHGZ-UHFFFAOYSA-N 249.093 2.745 0 40 BFAB COCC(=O)c1ccc(CC(C)C)cc1 43504870 IIRKKHLLOOXHFJ-UHFFFAOYSA-N 206.285 2.714 0 40 BFAB CCCc1noc([C@@H](C)N2CCCCC2)n1 65564640 PXHMMPAPFUQQLE-SNVBAGLBSA-N 223.320 2.569 0 40 BFAB COC(=O)/C=C/c1cccc(OC)c1Cl 72209077 UBJLDSUPLKQMCW-VOTSOKGWSA-N 226.659 2.535 0 40 BFAB NCc1cn(-c2ccc(Cl)cc2Cl)cn1 82550305 WZNQRORAMLYPJD-UHFFFAOYSA-N 242.109 2.638 0 40 BFAB CCC[C@H](CCOC)CN[C@H](C)CC 85396257 IKUWOAXCYWNJKF-VXGBXAGGSA-N 201.354 2.827 0 40 BFAB Cc1nc(C)c(C(=O)N2CC[C@@H]3CCCC[C@@H]32)o1 89558054 KSPWRNXBSYLLEN-RYUDHWBXSA-N 248.326 2.696 0 40 BFAB CC1(C)C[C@H](N[C@@H]2CCOC2)c2ccccc21 95983720 UVCYJXMOPGBZSQ-RISCZKNCSA-N 231.339 2.788 0 40 BFAB O=C(OCC[C@H]1CCCO1)c1ccc(F)cc1 96453113 VBNQQVBZYLBQHF-GFCCVEGCSA-N 238.258 2.552 0 40 BFAB CCC[C@H]1C[C@H]1NC(=O)Nc1ccncc1F 97135948 YXICRCWWFLHCIM-GZMMTYOYSA-N 237.278 2.531 0 40 BFAB C[C@@H]1C[C@H]1C(=O)N(C)C1C2CC3CC(C2)CC1C3 124287772 WAHFAXNUZGJZTJ-QQMYWVELSA-N 247.382 2.926 0 40 BFAB O=Cc1c(F)cc(F)c(C(F)(F)F)c1F 138847740 ZOHNBSLIMPIAMP-UHFFFAOYSA-N 228.091 2.935 0 40 BFAB O=c1c2c(F)cccc2ccn1C(F)F 242390318 AKJNBOFIFHQXSM-UHFFFAOYSA-N 213.158 2.536 0 40 BFAB CC(C)C(=O)c1cnc2c(c1)CCCC2 242648984 ROYCRLWNBMRHIE-UHFFFAOYSA-N 203.285 2.799 0 40 BFAB CC[C@@H](C)OCc1ccn(CC(F)(F)F)n1 408715418 NDNDUVMWIJXALI-MRVPVSSYSA-N 236.237 2.761 0 40 BFAB O=Cc1ccc(OCCF)cc1Br 1776010722 IOINNSRNYUXIRI-UHFFFAOYSA-N 247.063 2.610 0 40 BFAB CSc1nc(C)cc(N2CCC(C)CC2)n1 1889077123 GHTUDMANXHNFCC-UHFFFAOYSA-N 237.372 2.743 0 40 BFAB Cc1cc(C(Cl)(Cl)Cl)oc(=O)c1 165117 NWTKBJNOJSTMMY-UHFFFAOYSA-N 227.474 2.775 0 40 BFAB Cc1ccccc1C(=O)N1CCC(C)CC1 493242 VODBOTMTYLGSSA-UHFFFAOYSA-N 217.312 2.867 0 40 BFAB Cc1ccc(NC(=O)C2CCCC2)c(O)c1 1017152 LTYOVYRJOCYOOO-UHFFFAOYSA-N 219.284 2.829 0 40 BFAB c1ccc(CCN2CCCCCCC2)nc1 1562273 BDEHWPNZFREBFL-UHFFFAOYSA-N 218.344 2.890 0 40 BFAB CCCC(C)(CC(=O)OCC)CC(=O)OCC 1670894 ANESJIFXDTVKGS-UHFFFAOYSA-N 244.331 2.699 0 40 BFAB CCOC(=O)c1cnc(-c2ccccc2)nc1C 1677610 LGQZZURGIURMEL-UHFFFAOYSA-N 242.278 2.629 0 40 BFAB COCc1nc(-c2ccc(Cl)cc2)no1 2216033 MFCKIZLLGAFRQJ-UHFFFAOYSA-N 224.647 2.536 0 40 BFAB CCCCOc1cccc(-c2nnc(N)s2)c1 2228275 CDUSDSXOBNLGOJ-UHFFFAOYSA-N 249.339 2.966 0 40 BFAB Clc1nc2sccn2c1Br 4091880 AUGACCMVTDEVQA-UHFFFAOYSA-N 237.509 2.812 0 40 BFAB CN1C(=O)c2cc(N)ccc2Oc2ccccc21 5852266 SOZVMXIKFABVBR-UHFFFAOYSA-N 240.262 2.651 0 40 BFAB Cc1ccc(C(=O)CSc2nnc(C)o2)cc1 6204256 XSDBLLSGUGXDNR-UHFFFAOYSA-N 248.307 2.661 0 40 BFAB Fc1ccc(-c2[nH]ncc2CN2CCCC2)cc1 10003123 UESTTZCEOPAESN-UHFFFAOYSA-N 245.301 2.812 0 40 BFAB Cc1occc1C(=O)Nc1ccc(Cl)cn1 13746875 NGDPZDKUPVIPRZ-UHFFFAOYSA-N 236.658 2.889 0 40 BFAB COc1cccc(-c2ccc(N)c(C(=O)O)c2)c1 16946184 UMRDTPZHISGZDC-UHFFFAOYSA-N 243.262 2.643 0 40 BFAB CC(C)CNC(=O)c1ccc(F)cc1Cl 16971195 OPUVOPSDQHRBQJ-UHFFFAOYSA-N 229.682 2.865 0 40 BFAB CCC(CC)(Cc1nc2ccccc2[nH]1)C(=O)O 20284331 ZHYFUCWUPRPUDQ-UHFFFAOYSA-N 246.310 2.996 0 40 BFAB C[C@H](NC(=O)[C@@H]1C[C@H]1C)c1cccs1 32986500 YQRNABVEFVCXDZ-HRDYMLBCSA-N 209.314 2.581 0 40 BFAB CN(C)[C@@H](C(=O)O)c1cc(Cl)cc(Cl)c1 37425148 FBZPIHFBJZHLPX-SECBINFHSA-N 248.109 2.681 0 40 BFAB biogenic,in-vitro CCOC(=O)C(F)(F)SC(C)(C)C 39149634 HZYLLMNYPFYUDF-UHFFFAOYSA-N 212.261 2.674 0 40 BFAB NC(=O)Cc1ccc(C2CCCCC2)cc1 39375218 LNZYXYVKSRJMJR-UHFFFAOYSA-N 217.312 2.762 0 40 BFAB Fc1ccc(NCc2cscn2)cc1 40420057 NHCHQKDVJNZPGK-UHFFFAOYSA-N 208.261 2.894 0 40 BFAB O=C(O)c1ccnc(-c2ccccc2F)c1 41229461 RTGZEQWNCPNAGG-UHFFFAOYSA-N 217.199 2.586 0 40 BFAB c1ccc2c(NC[C@@H]3CCCO3)ccnc2c1 41720414 KVHHCYCIBKJVSS-NSHDSACASA-N 228.295 2.826 0 40 BFAB CN(C(=O)C1CC1)[C@@H]1CCCc2ccccc21 45294080 QGVJSNLNIWWYNQ-CQSZACIVSA-N 229.323 2.932 0 40 BFAB CO[C@@H](C)C(=O)Nc1cc(Cl)ccc1C 48340803 GVHSHIRARCYXJJ-QMMMGPOBSA-N 227.691 2.622 0 40 BFAB Cc1cccc(NC(=O)Nc2cc(C)nn2C)c1 48870056 UWCDBLRZYGFPNA-UHFFFAOYSA-N 244.298 2.681 0 40 BFAB CC(=O)c1c[nH]c(C(=O)N2CCCCCCC2)c1 51204409 FEFRZPGDUTYGOM-UHFFFAOYSA-N 248.326 2.624 0 40 BFAB CCCCNC(=O)CSc1ccc(F)cc1 58080360 UDTRQQQIPMGOKQ-UHFFFAOYSA-N 241.331 2.834 0 40 BFAB CC(C)Oc1ccc([C@H]2CCCCN2)cn1 72211912 UULIVSMUAQWGNX-GFCCVEGCSA-N 220.316 2.683 0 40 BFAB CNc1ncccc1[C@H]1CCCN1C(C)C 72212535 LGOHFEFREHQSCM-GFCCVEGCSA-N 219.332 2.669 0 40 BFAB Cc1c(C(=O)O)ccn1-c1ccccc1F 75420439 MIRXJSZFYIATDF-UHFFFAOYSA-N 219.215 2.623 0 40 BFAB Clc1cnnc(Br)c1Cl 79006747 KBMSYPKWKUVIOE-UHFFFAOYSA-N 227.876 2.546 0 40 BFAB CC(C)CC(=O)N1CCN(C)Cc2ccccc21 82277353 SIPINNDSMCOWNK-UHFFFAOYSA-N 246.354 2.511 0 40 BFAB C[C@H](CN)c1cccc(Br)c1 82371263 CCOOGMNVMAJJGT-SSDOTTSWSA-N 214.106 2.511 0 40 BFAB CN1CCCc2ccc(Br)cc21 83049075 FFZJBJFSFZZSCQ-UHFFFAOYSA-N 226.117 2.832 0 40 BFAB CC[C@H](N)c1cccc(OC(F)F)c1 89262716 DKNMEWXGBFNAJH-VIFPVBQESA-N 201.216 2.698 0 40 BFAB Cc1cc(CO)ncc1C(F)(F)C(F)(F)F 91252377 WFRPPUQPCNSXCS-UHFFFAOYSA-N 241.159 2.536 0 40 BFAB c1ccc2c(C[C@@H]3CCCNC3)ccnc2c1 95826742 HRYQXBCNABMSNH-LBPRGKRZSA-N 226.323 2.777 0 40 BFAB CCc1nc(Cl)c(Cl)nc1CC 95829168 IGPMBOSVPGVGPA-UHFFFAOYSA-N 205.088 2.908 0 40 BFAB CC(C)C(=O)NC[C@@H](C)Sc1ccccc1 96431733 NIMOLJZGOIRRQR-LLVKDONJSA-N 237.368 2.939 0 40 BFAB CC[C@@H](C)NC(=O)CCCc1ccc(OC)cc1 127917488 CGGPBILETXOFRJ-GFCCVEGCSA-N 249.354 2.933 0 40 BFAB COC(=O)c1cccc(C(=O)C(C)(C)C)c1 199987035 OTBWNTHUAMYLBJ-UHFFFAOYSA-N 220.268 2.702 0 40 BFAB CN1C[C@H](CO)[C@H](c2ccc(C(C)(C)C)cc2)C1 217671947 AATMIODLBAMVPX-HIFRSBDPSA-N 247.382 2.622 0 40 BFAB N[C@@H]1CCCC[C@@H]1Nc1ccc(F)cc1 218682328 ZXAQXCHNOQYJHK-NEPJUHHUSA-N 208.280 2.508 0 40 BFAB N[C@@H]1CCCC[C@H]1Nc1cc(F)ccc1F 218865793 PIDZLGQUGGFAJB-GHMZBOCLSA-N 226.270 2.647 0 40 BFAB CNCc1cccn1-c1cccc(Cl)c1 223684655 STJNOOZAFYETFX-UHFFFAOYSA-N 220.703 2.850 0 40 BFAB O=C(CO)c1ccc(Cl)c(C(F)(F)F)c1 953117265 XCJQGDWRMQBWGF-UHFFFAOYSA-N 238.592 2.534 0 40 BFAB CCCCOC(=O)OCCOCC(F)(F)F 1083809203 XJEOQQKCYQGWBU-UHFFFAOYSA-N 244.209 2.519 0 40 BFAB Cc1cccc(O[C@@H](C)c2nnc(N)s2)c1C 808218 NPAGTEVEAGUCNO-VIFPVBQESA-N 249.339 2.877 0 40 BFAB C[C@@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2C 967951 YGSVZRIZCHZUHB-VCTAVGKDSA-N 231.339 2.546 0 40 BFAB C[C@H]1C[C@H](C)CN(C(=O)Cc2cccs2)C1 1456512 BZZMDFFKTWQPAE-QWRGUYRKSA-N 237.368 2.795 0 40 BFAB C/C=C/C=C/C(=O)N(C)c1ccccc1 1662606 GKONHAANAMPQJK-HFBSYCRKSA-N 201.269 2.782 0 40 BFAB Cc1ccc(C(C)(C)C)c(OCC2=NCCN2)c1 1668969 UXQGQCGSAOIAAM-UHFFFAOYSA-N 246.354 2.673 0 40 BFAB c1c[nH]c(-c2nc(-c3cccs3)n[nH]2)c1 2518972 PPVUGYCQEFTEAG-UHFFFAOYSA-N 216.269 2.528 0 40 BFAB Cc1ccc([C@H](CO)N2CCCCC2)cc1 3636314 SQPDEISARUKWLQ-AWEZNQCLSA-N 219.328 2.514 0 40 BFAB CCC(=O)[C@@H]1CCCC[C@H]1C(C)(C)C(=O)O 3850145 DTKRFHZIFOHAMP-NXEZZACHSA-N 226.316 2.883 0 40 BFAB biogenic Cc1c(Cl)cccc1NC(=S)N(C)C 4614658 VDRHQLCPRIPFBZ-UHFFFAOYSA-N 228.748 2.907 0 40 BFAB COc1ccc2[nH]c3c(Cl)ncnc3c2c1 5729826 GFJIJJZNYCWNGS-UHFFFAOYSA-N 233.658 2.773 0 40 BFAB CCOc1ccc(C(N)=S)c2ccccc12 5841592 RTJRLLBFTYSMTI-UHFFFAOYSA-N 231.320 2.873 0 40 BFAB CCCCC(=O)Nc1nnc(-c2ccccc2)o1 6050805 MQPZDZLCNVLHJM-UHFFFAOYSA-N 245.282 2.865 0 40 BFAB C[C@H](O)CCC(=O)c1nc2ccccc2s1 6437085 YMJPDOZTQBMKOK-QMMMGPOBSA-N 235.308 2.640 0 40 BFAB COc1ccc(OC)c(NC(=O)c2ccoc2)c1 8776792 WJJFYSUOMTUSEU-UHFFFAOYSA-N 247.250 2.549 0 40 BFAB CCOc1ccc2nc(NC#N)sc2c1 13638852 GNVBNJXZJUFYPW-UHFFFAOYSA-N 219.269 2.588 0 40 BFAB C[C@H]1Oc2c(c(=O)c3ccccc3n2C)C1(C)C 14515589 QLPMLMDURILOQO-SECBINFHSA-N 243.306 2.597 0 40 BFAB biogenic CCCCC(=O)Nc1ccc2nsnc2c1 17083477 XYGHFJSZGKSZAR-UHFFFAOYSA-N 235.312 2.820 0 40 BFAB biogenic CCCCN1CCN(CCCC)C1(F)F 19321009 CMCLBULJKGITSZ-UHFFFAOYSA-N 220.307 2.755 0 40 BFAB CSc1nc(-n2cccc2)nnc1C(C)(C)C 27643311 KKMZIVPVYZIKOI-UHFFFAOYSA-N 248.355 2.682 0 40 BFAB CCC(C)(C)NC(=O)c1ccc2nccnc2c1 32667780 HMGHXLYJQTZITF-UHFFFAOYSA-N 243.310 2.548 0 40 BFAB C[C@@H]1CC(=O)c2cc(Br)ccc2O1 35741285 ZTSZVEOFLABNFB-ZCFIWIBFSA-N 241.084 2.803 0 40 BFAB C[C@@H](Sc1nncn1C)c1ccc(F)cc1 40456916 MZSUVFNJTXUCGC-MRVPVSSYSA-N 237.303 2.808 0 40 BFAB Cc1oc(-c2ccccc2)nc1Cn1ccnc1 40488803 OMZWFFADWUBNOV-UHFFFAOYSA-N 239.278 2.895 0 40 BFAB Cc1ccnc(Oc2ccc(C(=O)O)cc2)c1 44427912 KABLXVCURVWGHH-UHFFFAOYSA-N 229.235 2.881 0 40 BFAB COc1cc(-c2ccc(F)cc2)ccn1 47204803 NNKHLUDPZPWOPI-UHFFFAOYSA-N 203.216 2.896 0 40 BFAB Cc1ccc(C(=O)Nc2ccncc2C)c(O)c1 69586132 MSOJRDHTEMKILP-UHFFFAOYSA-N 242.278 2.656 0 40 BFAB Cc1nc(Cl)ccc1[C@H]1CCCCN1 72217913 KFTHMVKCXINEPX-SNVBAGLBSA-N 210.708 2.858 0 40 BFAB CCc1ccc([C@H](CC)OCCN)cc1 72220039 XHFADAFUNDHRLK-ZDUSSCGKSA-N 207.317 2.675 0 40 BFAB COC(=O)c1ccc(Nc2ccccc2)nc1 72225295 PALTZMQBNOJOAM-UHFFFAOYSA-N 228.251 2.612 0 40 BFAB Cc1ccccc1[C@@H](NN)c1ccccc1 84194145 HRINMVZRYICOOZ-AWEZNQCLSA-N 212.296 2.548 0 40 BFAB COC[C@H](C)SCc1cn2ccccc2n1 84495905 LCYUIECWXLAYFJ-JTQLQIEISA-N 236.340 2.602 0 40 BFAB OCCn1cc(-c2cccc3ccccc23)cn1 85391776 HSGFJXSLWMLZOE-UHFFFAOYSA-N 238.290 2.696 0 40 BFAB CC(=O)c1cc(F)cc(OC(F)(F)F)c1 91252006 VOBVUHOUGRWDOZ-UHFFFAOYSA-N 222.137 2.927 0 40 BFAB CCC[C@@](C)(O)c1cccc(N(C)C)c1 95739330 CZAUNURRTXUTKL-CYBMUJFWSA-N 207.317 2.760 0 40 BFAB Cc1c(F)c(Br)cc(C=O)c1F 95930048 WTFZCNWVXZOGRC-UHFFFAOYSA-N 235.027 2.848 0 40 BFAB CC1=CCC[C@@H](C)[C@H]1CNCCc1cnn(C)c1 95986278 PNXSNWCXZZSDDH-HIFRSBDPSA-N 247.386 2.545 0 40 BFAB O=C(O)c1scc(Cl)c1OCC1CC1 96510954 CBTPOEKNRBAKLX-UHFFFAOYSA-N 232.688 2.889 0 40 BFAB C[C@H]1CC[C@@]23[C@@H]1C[C@H](CC(=O)[C@@]2(C)O)C3(C)C 104026942 AJNBIBAWHPLSCR-ILYYPIBPSA-N 236.355 2.789 0 40 BFAB Cn1nc(-c2ccco2)cc1C(F)(F)F 112955983 ZFSAILNPAQQSSJ-UHFFFAOYSA-N 216.162 2.699 0 40 BFAB Nc1cnccc1C(=O)c1cccc(Cl)c1 199711859 WKBJTHIDZZBPJU-UHFFFAOYSA-N 232.670 2.548 0 40 BFAB COc1ccc2c(c1)c(CN)c(C)n2C(C)C 212043531 HBPBCQHAKZWRTQ-UHFFFAOYSA-N 232.327 2.998 0 40 BFAB Nc1nc(-c2ccc(Cl)cc2)ccc1C(=O)O 217685675 AVESHAIPPCNENA-UHFFFAOYSA-N 248.669 2.682 0 40 BFAB OCc1cccn1-c1ccc(F)c(Cl)c1 223741186 JIVULDUYZNMKRV-UHFFFAOYSA-N 225.650 2.762 0 40 BFAB CCO[C@H](Cc1ccc(C)c(Cl)c1)C(=O)O 225081293 ZZOSDYMTCMZGRJ-LLVKDONJSA-N 242.702 2.681 0 40 BFAB O[C@H]1C[C@@H](c2ccccc2)O[C@H]2CCC[C@H]12 257318721 VPBUMEVULRVZRL-RFGFWPKPSA-N 218.296 2.678 0 40 BFAB CC[C@H](C)C(=O)c1cccc(OC(C)=O)c1 394501965 FYDDDSODBIVXJW-VIFPVBQESA-N 220.268 2.841 0 40 BFAB Nc1cccc(F)c1C(=O)Nc1ccccc1 514269769 UZOTUSBWWZAVQD-UHFFFAOYSA-N 230.242 2.660 0 40 BFAB in-vitro Cc1ccccc1C(=O)c1ccc(O)cc1O 232085 HJPCUVKFCLZYFR-UHFFFAOYSA-N 228.247 2.637 0 40 BFAB Cc1ccc(/C=C/C(=O)N2CCCC2)cc1 504547 SDJJMDDZCZZJDC-CMDGGOBGSA-N 215.296 2.631 0 40 BFAB CC1CCC(O)([C@@H](C(=O)O)c2ccccc2)CC1 1734001 YYQPXJFURRUIAG-GLWUULTISA-N 248.322 2.796 0 40 BFAB COCC(=O)Nc1cc(Cl)ccc1Cl 3093903 HUTYAOXEWMPPDX-UHFFFAOYSA-N 234.082 2.578 0 40 BFAB CCCC[P@@](=O)(CC(=O)O)c1ccccc1 3159941 CGCYVTZFMYCPTI-MRXNPFEDSA-N 240.239 2.560 0 40 BFAB O[C@@H]1O[C@@H](c2ccccc2)Cc2ccccc21 3847971 YHVDJDASXIMISF-HUUCEWRRSA-N 226.275 2.992 0 40 BFAB biogenic F[C@@H](C(F)(F)F)C(F)(F)[C@H]1CCCO1 4348170 LUFBQXOWLQEASN-RFZPGFLSSA-N 222.128 2.701 0 40 BFAB in-vitro O=C(O)[C@@]1(c2ccccc2)CC1(Cl)Cl 4568387 YCXKWZHLCOEWAG-VIFPVBQESA-N 231.078 2.587 0 40 BFAB in-vitro OC1(C(Cl)(Cl)Cl)CCCC1 5374304 HJXIDGGCRTZQJL-UHFFFAOYSA-N 203.496 2.662 0 40 BFAB O=C(O)C[C@@H]1CCCCc2ccccc21 5776356 FYGBFBQPBKHOMB-NSHDSACASA-N 204.269 2.971 0 40 BFAB C[C@H](CCc1ccccc1)NC(=O)C(F)(F)F 6252482 MDBNHAHKSSMQME-SECBINFHSA-N 245.244 2.686 0 40 BFAB O=C(Nc1nnc(C2CC2)s1)[C@H]1CC=CCC1 6879167 IQGNFIUBIBQTOY-QMMMGPOBSA-N 249.339 2.710 0 40 BFAB COCCNCc1ccc(-c2ccc(F)cc2)o1 7524433 KABVAWJXJUUIFV-UHFFFAOYSA-N 249.285 2.822 0 40 BFAB CC[C@@H](CO)NCc1cccc(Cl)c1Cl 8326387 CBCPYXYABORULN-VIFPVBQESA-N 248.153 2.854 0 40 BFAB O=C(O)/C=C\c1ccc(Br)cc1F 12358782 SVJGKQYKYNDYMU-RQOWECAXSA-N 245.047 2.686 0 40 BFAB OCc1cc2cc(Cl)c(Cl)cc2[nH]1 12506050 WROJWFRHNGIGNQ-UHFFFAOYSA-N 216.067 2.967 0 40 BFAB Cc1ccc(COCC2CCNCC2)cc1 14631403 ZOYMTEVQXUVXLA-UHFFFAOYSA-N 219.328 2.511 0 40 BFAB C[C@H](C(=O)c1ccccc1)[C@@H](O)c1ccccn1 15858176 BHXNDOUULLDMJT-IAQYHMDHSA-N 241.290 2.634 0 40 BFAB O=C(Cc1ccccc1Cl)Nc1ccncc1 17583703 MHYFLLMOYZCMRX-UHFFFAOYSA-N 246.697 2.916 0 40 BFAB CCOCCCN[C@@H](C)c1ccccc1 19962887 ORHHWAQDSMBFEK-LBPRGKRZSA-N 207.317 2.764 0 40 BFAB CCNC(=O)[C@H](C)Sc1ccc(C)cc1 31866817 QWXJXICPNMFSAM-JTQLQIEISA-N 223.341 2.612 0 40 BFAB COC[C@@H](C)NCc1cc(C)c(C)cc1C 34991624 ODMHGYGRWROYIX-CYBMUJFWSA-N 221.344 2.736 0 40 BFAB OCc1cccc(NCc2ccccc2)c1 35045356 YBPIKMHWZFYPNX-UHFFFAOYSA-N 213.280 2.791 0 40 BFAB CC1(C)CC(=O)C2=N[C@H](c3ccccc3)N=C2C1 36584486 VPTVQTIEGSAYTA-CQSZACIVSA-N 240.306 2.970 0 40 BFAB CC[C@@H](C)[C@@H](N)CN1CC[C@@H]2CCCC[C@@H]2C1 36810177 KKIVHKXLMQQSPC-BARDWOONSA-N 238.419 2.872 0 40 BFAB Nc1cc(-c2ccoc2)nn1-c1ccccc1 36938436 PZGJQUITYVFWDE-UHFFFAOYSA-N 225.251 2.715 0 40 BFAB in-vitro CCN(CC)[C@H](CN)c1ccc(C)c(C)c1 37179876 BYVOKHPWVFBFJD-CQSZACIVSA-N 220.360 2.645 0 40 BFAB C=CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1 37828555 DCWWMZJDFQWPFD-CYBMUJFWSA-N 231.295 2.545 0 40 BFAB CC(C)C[C@@H](C)N(C)C(=O)CC[C@H]1CCCO1 40508851 NDNVIEWESSBOOK-CHWSQXEVSA-N 241.375 2.839 0 40 BFAB O=C(O)c1ccc(-c2cccc(F)c2)cn1 41229467 JJDSMZVLNUOPNZ-UHFFFAOYSA-N 217.199 2.586 0 40 BFAB C[C@@H]1C[C@H]1C(=O)N(C)[C@@H]1CCc2ccccc21 42622897 KNCUBBURLBIXPJ-LERXQTSPSA-N 229.323 2.788 0 40 BFAB CCOc1cccc(OCC[C@@H]2CCCNC2)c1 42773650 HVWDCJBEZULNBI-ZDUSSCGKSA-N 249.354 2.854 0 40 BFAB CC(C)NC(=O)NCc1ccccc1Cl 45651841 OEWGYMDQGKPGTL-UHFFFAOYSA-N 226.707 2.548 0 40 BFAB CCCCS(=O)(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 57526580 YKMHRJYVUGTDFJ-SDDRHHMPSA-N 247.404 2.531 0 40 BFAB Cc1ccn(C/C=C/c2ccccc2)c(=O)c1 69816760 WBKCPOBNFJGNNM-VMPITWQZSA-N 225.291 2.870 0 40 BFAB N[C@H]1C[C@@H]1c1ccc(-c2ccccc2F)o1 70452932 MBQNDLPEUBCBCX-ONGXEEELSA-N 217.243 2.900 0 40 BFAB Cc1cc(C[S@](=O)Cc2ccccc2C)no1 71846917 GLWDDSMCROCQQW-KRWDZBQOSA-N 249.335 2.740 0 40 BFAB C[C@@H](Cc1ccc(Cl)cc1Cl)C(N)=O 71884528 QKEXITWQNOWKDN-LURJTMIESA-N 232.110 2.657 0 40 BFAB CCN1CCC[C@H]1c1cnc(OC)c(C)c1 72217713 CRBBZPCPGOPPJN-LBPRGKRZSA-N 220.316 2.555 0 40 BFAB Cc1nc(Nc2ccccc2)ccc1CN 72224352 OGCCTSHPDLJUCS-UHFFFAOYSA-N 213.284 2.592 0 40 BFAB CNc1cccc([C@@H]2CCCN2C(C)C)n1 72356977 JXTJELHCFGEXMU-LBPRGKRZSA-N 219.332 2.669 0 40 BFAB Cc1cc(C)cc(-c2c[nH]c(C(=O)O)c2)c1 77307118 LPAVTEIZQAGCLP-UHFFFAOYSA-N 215.252 2.997 0 40 BFAB CCS[C@@H]1CCC[C@H]1Nc1ncccn1 78996787 VPRBOEVQQSNSGI-NXEZZACHSA-N 223.345 2.563 0 40 BFAB C/C=C(\C)C(=O)NCc1ccc(C)cc1 98056350 QGFVAPUTEFBIPL-NYYWCZLTSA-N 203.285 2.577 0 40 BFAB CC1=C[C@@H](C)[C@@H](C2N3CCCN2CC3)[C@H](C)C1 102677592 HFPVWFVWBIWBRP-MGPQQGTHSA-N 234.387 2.572 0 40 BFAB Cc1c(C(=O)O)cnc(=S)n1-c1ccccc1 217676897 SIPABSSKIYGVFR-UHFFFAOYSA-N 246.291 2.608 0 40 BFAB CNCc1cccn1-c1ccc(C)c(C)c1 223681911 VQGZDKPZIFUTLV-UHFFFAOYSA-N 214.312 2.814 0 40 BFAB CCCCS(=O)(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 245237825 YKMHRJYVUGTDFJ-QJPTWQEYSA-N 247.404 2.531 0 40 BFAB C[C@@H](C1CC1)n1nc(C(=O)O)cc1C(F)(F)F 256051454 JFZLRUZYJTZOMB-YFKPBYRVSA-N 248.204 2.571 0 40 BFAB Nc1nsc2c(Br)cccc12 1525631755 UFQBAWIVYMRENP-UHFFFAOYSA-N 229.102 2.641 0 40 BFAB O=C1c2cccc(Br)c2[C@@H]2C[C@@H]12 1857793707 PZLKGKLADWXNKJ-RNFRBKRXSA-N 223.069 2.749 0 40 BFAB CC(=O)c1cc(O)c(SC(C)C)nc1C 1382950 RANNPHFNGYULTQ-UHFFFAOYSA-N 225.313 2.799 0 40 BFAB CCN(CC)CCn1ccc2ccccc21 1631193 WIQQTANXCCVPOY-UHFFFAOYSA-N 216.328 2.983 0 40 BFAB Cc1cc(C)cc(C(=O)C[C@H](C)C(=O)O)c1 2579858 COYIRJYVWHGOAE-JTQLQIEISA-N 220.268 2.597 0 40 BFAB COc1ncc(-c2ccc(Cl)cc2)cn1 6849965 NZDVLOVMSQNWJZ-UHFFFAOYSA-N 220.659 2.806 0 40 BFAB O=c1[nH]cnc2scc(-c3ccsc3)c12 8579302 DUKSWLVZNWKJAU-UHFFFAOYSA-N 234.305 2.713 0 40 BFAB Cc1cccc(C)c1NC(=O)c1cn(C)nc1C 12015688 DXIWYOOWRGAXBA-UHFFFAOYSA-N 243.310 2.598 0 40 BFAB c1cc2c(cc1OC[C@@H]1CCCNC1)CCC2 12137816 BAQCDSXHWXTGLW-GFCCVEGCSA-N 231.339 2.554 0 40 BFAB in-vitro CC[C@@H](C)NC(=O)Cc1ccccc1Cl 12932670 KFHWXVXOEVDERS-SECBINFHSA-N 225.719 2.797 0 40 BFAB c1cc(CNCC2CCCCC2)ccn1 13718552 SJUOOPGDQICACN-UHFFFAOYSA-N 204.317 2.752 0 40 BFAB CCOCCCNCc1cccc2[nH]ccc12 15423492 KEELUWMWKQAWDH-UHFFFAOYSA-N 232.327 2.684 0 40 BFAB C1=Cc2nonc2[C@@H]2C=C(c3ccccc3)N=C12 19288377 DKQGBCNSCACXNK-SNVBAGLBSA-N 235.246 2.676 0 40 BFAB Cc1cccc(OC[C@H]2CCCNC2)c1C 19485240 YTFLZFXYIXISSN-ZDUSSCGKSA-N 219.328 2.682 0 40 BFAB COc1ccccc1[C@@H](C(=O)O)C(C)C 19726450 QROVZXRIIBUUKK-NSHDSACASA-N 208.257 2.519 0 40 BFAB CCC[C@H](C)NC(=O)Cc1cccc(F)c1 19934948 GLCDTORRHOQMBT-JTQLQIEISA-N 223.291 2.673 0 40 BFAB CCOC(=N)c1ccc(OC)cc1OC(C)C 21303902 ZBJSSJKFWYKQHY-UHFFFAOYSA-N 237.299 2.844 0 40 BFAB CNC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 32809291 SGOROIOGBXTBJP-UHFFFAOYSA-N 230.311 2.825 0 40 BFAB Cc1ccc2c(c1)S[C@H](C(=O)N1CCCC1)C2 32876654 OEGWJBPHCJBZQR-ZDUSSCGKSA-N 247.363 2.634 0 40 BFAB CC[C@H]1CCCCN1C(=O)c1cccc(C)n1 32909042 KWIFMOGKEQAIAT-LBPRGKRZSA-N 232.327 2.795 0 40 BFAB COc1ccc(OC)c2c1[C@@H]1CC[C@H]2[C@](C)(O)C1 34200448 YKNJCAHIBWVXLD-IQMDTDKHSA-N 248.322 2.820 0 40 BFAB CC(C)(C)Oc1ccc(CCC(=O)O)cc1 36139706 LRZTWGHLBQKZBJ-UHFFFAOYSA-N 222.284 2.881 0 40 BFAB CC[C@H](O)Cc1ccc(Br)cc1 37464606 BFQNYWQZYFKMRC-JTQLQIEISA-N 229.117 2.763 0 40 BFAB CNC1CCN(c2ccc(Cl)cc2)CC1 37483332 ILNAXZSZQRYEEN-UHFFFAOYSA-N 224.735 2.528 0 40 BFAB OCc1cc2c(F)cccc2nc1Cl 38339305 LAXQJVYWLNKASL-UHFFFAOYSA-N 211.623 2.520 0 40 BFAB Cc1ccccc1NC(=O)CCOCC(C)C 40523662 UUOYEJFLESELPV-UHFFFAOYSA-N 235.327 2.996 0 40 BFAB CC(C)(C)C(=O)Nc1c(N)cccc1Cl 50352314 JWIUKKYIDRSKHZ-UHFFFAOYSA-N 226.707 2.907 0 40 BFAB CCCNC(=O)N[C@@H](C)c1ccccc1C 57580422 RPXHUESLSABRSR-NSHDSACASA-N 220.316 2.765 0 40 BFAB CCSc1nnc(NCC(F)(F)F)s1 57813108 SLNZNFDNJAQDOS-UHFFFAOYSA-N 243.279 2.624 0 40 BFAB OC1=C(C2=NCCN2)CC/C1=C\c1ccccc1 62716140 HSEJCADDZPVMEW-ZRDIBKRKSA-N 240.306 2.678 0 40 BFAB CC(C)N(C(=O)c1cccs1)C1CC1 69416660 NWZSBKBCVNFGOT-UHFFFAOYSA-N 209.314 2.761 0 40 BFAB O=c1[nH]cnc2ccc(-c3ccccc3)cc12 71257396 ZQYGHFBZNVXDQB-UHFFFAOYSA-N 222.247 2.590 0 40 BFAB CCN1CCC[C@@H]1c1ccc(NC2CC2)nc1 72213769 YGOHVNOIENXGEZ-CYBMUJFWSA-N 231.343 2.813 0 40 BFAB O=C(O)c1ncsc1-c1cccc(F)c1 74036265 OWWGREBHCOZAFC-UHFFFAOYSA-N 223.228 2.647 0 40 BFAB Cc1cc(C)c(C(=O)NC2CC2)cc1C 74951557 RPONHZOQOSXPKO-UHFFFAOYSA-N 203.285 2.504 0 40 BFAB CC(=O)Nc1cc(C)nn1-c1ccc(Cl)cc1 84105017 HKIRRJVOIWSPEN-UHFFFAOYSA-N 249.701 2.793 0 40 BFAB CCCCC(=O)N[C@@H](C)Cc1ccsc1 84740878 ULOQIQFUUOYGCB-JTQLQIEISA-N 225.357 2.986 0 40 BFAB Cc1cc(CO)ccc1OCCC(C)C 95739731 MWRMLWHUTDHRAJ-UHFFFAOYSA-N 208.301 2.912 0 40 BFAB O=C(Nc1ccncc1F)c1ccsc1 95975731 HSVWRWALUBGMGR-UHFFFAOYSA-N 222.244 2.535 0 40 BFAB COc1ccc(SCC(C)(C)O)cc1OC 96418759 IHEUNTLQTHTUCT-UHFFFAOYSA-N 242.340 2.567 0 40 BFAB CO[C@H]1CCC[C@H](OC(=O)CC(C)(C)C)C1 97043844 IHIGGSOXCMITHM-QWRGUYRKSA-N 228.332 2.923 0 40 BFAB COc1c(Br)ccc(Cl)c1N 97447176 PEYIDAACXHVHNS-UHFFFAOYSA-N 236.496 2.693 0 40 BFAB O=C1CSC(Cc2nc3ccccc3s2)=N1 102340783 IGPQDAITYSYVQI-UHFFFAOYSA-N 248.332 2.511 0 40 BFAB CCOc1cc(Cl)ccc1NC(C)=O 154944007 HVJQMYZZVGKTME-UHFFFAOYSA-N 213.664 2.697 0 40 BFAB in-vitro S=C(Nc1ccncc1)N[C@@H]1C[C@H]2CC[C@@H]1C2 225325102 XWNMYFCNWPYUGI-HOSYDEDBSA-N 247.367 2.557 0 40 BFAB CCCn1cc(CNc2ccn(CCC)n2)cn1 256052653 OEFINGVCCZDABK-UHFFFAOYSA-N 247.346 2.512 0 40 BFAB FC(F)(F)C1CN(c2ccncc2Cl)C1 2298042670 NQBWCLAKYAHMBH-UHFFFAOYSA-N 236.624 2.734 0 40 BFAB Brc1ccccc1-c1csnn1 383875 IUHKJGDHOYOXQM-UHFFFAOYSA-N 241.113 2.968 0 40 BFAB CCNc1nnc(-c2ccc(C)cc2)s1 536400 TXVFCJCTSHHUML-UHFFFAOYSA-N 219.313 2.945 0 40 BFAB COc1ccc(-c2ccc(CO)cc2)cc1 730810 GVRSPKZCGUMKFK-UHFFFAOYSA-N 214.264 2.855 0 40 BFAB C[C@H]1C[C@@](CCN)(c2ccccc2)[C@H](C)CN1C 4031404 XTILSTQWLFVMKB-IJEWVQPXSA-N 246.398 2.633 0 40 BFAB c1ccc2oc(-c3nn4cnnc4s3)cc2c1 4487524 BSSQTLHYPZWCKE-UHFFFAOYSA-N 242.263 2.599 0 40 BFAB CC1=C[C@@H](C)[C@H](CNCCCN(C)C)[C@@H](C)C1 4612811 TZIMJQBDMVLZIZ-ILXRZTDVSA-N 238.419 2.766 0 40 BFAB COCCn1c(Cl)c(C=O)c2ccccc21 5611483 WQQXULSMNHXCRW-UHFFFAOYSA-N 237.686 2.754 0 40 BFAB CCc1nc(C)cn1C(=O)c1cccs1 5728147 DYHOCVRBJAVNOT-UHFFFAOYSA-N 220.297 2.504 0 40 BFAB Cc1ccccc1CSc1nnc(N)s1 5943160 XBMJFEKPHIRGMM-UHFFFAOYSA-N 237.353 2.721 0 40 BFAB COc1ccccc1-c1ccc(CN)cc1 8699702 WXEDARIVDYYIRA-UHFFFAOYSA-N 213.280 2.821 0 40 BFAB C[C@@H]1CCCN(CCOc2cccc(C=O)c2)C1 9261374 PXOZTEYWXOHVGT-CYBMUJFWSA-N 247.338 2.610 0 40 BFAB C[C@@H]1c2ccsc2CCN1c1ncccn1 12921217 WPYXLHXCGISKEO-SECBINFHSA-N 231.324 2.662 0 40 BFAB CCNC[C@@H](C)Oc1cc(C)ccc1C 19738105 OBLWLAQDGFKMGH-GFCCVEGCSA-N 207.317 2.680 0 40 BFAB C[C@H](NC(C)(C)C)C(=O)c1ccc(F)cc1 22059418 YTBHJXDTSQSFCF-VIFPVBQESA-N 223.291 2.785 0 40 BFAB in-vitro C[C@@H]1C[C@@H]1C(=O)Nc1cnc2ccccc2c1 25713996 VGJRYMJZMWCPAD-SKDRFNHKSA-N 226.279 2.829 0 40 BFAB COc1ccc([C@H](O)c2ccc(C)o2)cc1OC 27835027 TXGWTFFFBMKXIQ-AWEZNQCLSA-N 248.278 2.687 0 40 BFAB Cc1occc1C(=O)N(C)Cc1ccccc1 32738562 UGEDQTQERZQMCS-UHFFFAOYSA-N 229.279 2.860 0 40 BFAB CC(C)C(=O)CC(=O)c1ccc(F)cc1 34238148 LAOUURGVXFCRDD-UHFFFAOYSA-N 208.232 2.624 0 40 BFAB CCN[C@H](c1ccc(OC)cc1)c1cccnc1 35540779 FXKDFZKZUPPGMA-OAHLLOKOSA-N 242.322 2.789 0 40 BFAB in-vitro COC(=O)c1ccn([C@@H](C)c2ccccc2)c1 38351295 DAQBKWCRTIBIDS-NSHDSACASA-N 229.279 2.884 0 40 BFAB Cc1noc(C)c1CN1CCc2sccc2C1 40487670 PCHQIVZZHIDYGM-UHFFFAOYSA-N 248.351 2.911 0 40 BFAB CC(=O)NCC1(c2ccc(Cl)cc2)CCC1 41531524 NJHWBWIMPRPFRZ-UHFFFAOYSA-N 237.730 2.898 0 40 BFAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N(C)C 44948497 VOSHVXNTJMPFIG-CYBMUJFWSA-N 235.327 2.549 0 40 BFAB CCCN(CCC)C(=O)CCc1ccccc1O 48251876 PHVXZKGXQOHDDG-UHFFFAOYSA-N 249.354 2.973 0 40 BFAB COc1ccc(Cl)cc1NCc1ncc[nH]1 49714540 CCWAMMVLJYWNEH-UHFFFAOYSA-N 237.690 2.684 0 40 BFAB Brc1ccc(SC2CNC2)cc1 54931791 PORIELIYGWIKRO-UHFFFAOYSA-N 244.157 2.513 0 40 BFAB CC[C@H](O)Cc1ccccc1OC(C)C 58002259 FXBNVXAHFNVTEG-LBPRGKRZSA-N 208.301 2.787 0 40 BFAB CCC(=O)Nc1cccc2ccc(O)cc12 59562238 DFPNOBYKTMZUIK-UHFFFAOYSA-N 215.252 2.894 0 40 BFAB Cn1nc(-c2ccccc2)c2cc(CO)sc21 63110821 ARPBBSGGQDLQED-UHFFFAOYSA-N 244.319 2.794 0 40 BFAB Cc1cccc(-c2ccc(C(=O)O)[nH]2)c1 74212647 LMVDIPOELGUDEW-UHFFFAOYSA-N 201.225 2.688 0 40 BFAB Cc1ccc(F)c(OCc2ncccn2)c1 85566019 LDSRHJLJPQURTO-UHFFFAOYSA-N 218.231 2.503 0 40 BFAB CC(C)(C)c1nccc(NCc2ccncc2)n1 95416428 IEZNOWQNESDKMW-UHFFFAOYSA-N 242.326 2.781 0 40 BFAB c1ccc2cc(CC3CCNCC3)ncc2c1 95643267 FGRIAHNQJGKWCV-UHFFFAOYSA-N 226.323 2.777 0 40 BFAB in-vitro N[C@@H](c1cncc(C(F)(F)F)c1)C1CC1 95715201 RSPHGMLCPNCVET-SECBINFHSA-N 216.206 2.510 0 40 BFAB CC(C)c1nc2nccc(-c3ccco3)n2n1 96344168 XNFIBMNPFNCDHO-UHFFFAOYSA-N 228.255 2.508 0 40 BFAB CC(C)(C)OC(=O)N[C@@H]1CC12CCCC2 98213738 BTWUZYAVGRDITF-SECBINFHSA-N 211.305 2.844 0 40 BFAB CCCCN1CCC[C@H]1CCCNCC 218329038 QPSBICNYLVMZSJ-CYBMUJFWSA-N 212.381 2.641 0 40 BFAB Cc1c(F)cccc1N[C@H]1CCCC[C@@H]1N 218865428 VSOPLWUHYZTJDH-AAEUAGOBSA-N 222.307 2.816 0 40 BFAB COC(=O)CN1c2ccccc2C(C)=CC1(C)C 223186906 KTRFYFXQXBTDPN-UHFFFAOYSA-N 245.322 2.862 0 40 BFAB CCCN(CCCC(=O)O)c1ccc(F)cc1 224987253 YEVIAOIRWPEAMH-UHFFFAOYSA-N 239.290 2.907 0 40 BFAB C[C@@H]1CCCC[C@@H]1NC(=O)c1ccco1 141618 KOISEUVREFEOEJ-ZJUUUORDSA-N 207.273 2.588 0 40 BFAB Cc1cc(C)c(S(=O)(=O)C(C)C)c(Cl)n1 1392045 LWQTWFLOHNJOQG-UHFFFAOYSA-N 247.747 2.534 0 40 BFAB C[C@H]1C[C@H](C)OC(Cc2ccccc2)O1 1628410 ZUSPQJCMNWQMSN-QWRGUYRKSA-N 206.285 2.769 0 40 BFAB N[C@H](Cc1ccc(O)cc1)c1ccccc1 1668346 IHKIKEDQADLMTP-CQSZACIVSA-N 213.280 2.635 0 40 BFAB COc1ccc(C2O[C@H](C)[C@@H](C)O2)cc1OC 1677004 XIQKORYUHHGFBK-RKDXNWHRSA-N 238.283 2.526 0 40 BFAB Cc1ccc(SCCCC(=O)O)cc1 1714513 HGFAYEMEDMUNOS-UHFFFAOYSA-N 210.298 2.952 0 40 BFAB CCc1cccc2c(CC(=O)O)c(C)[nH]c12 3748622 QHQSZOISNDIQJT-UHFFFAOYSA-N 217.268 2.666 0 40 BFAB CC(=O)Nc1ccc(/C=C/c2csnn2)cc1 5663461 MEGIBKVHFNSWOB-QPJJXVBHSA-N 245.307 2.667 0 40 BFAB N[C@H](Cc1nc2ccccc2[nH]1)c1ccccc1 5819252 OAPNOGKLWUSRLP-GFCCVEGCSA-N 237.306 2.805 0 40 BFAB O=C(Nc1ccc(F)cc1)c1ccccc1O 6567818 JRFWTJJEUHYSHV-UHFFFAOYSA-N 231.226 2.784 0 40 BFAB O=C(O)C[C@@H](c1ccc(F)cc1)C1CC1 11628821 QACZBOZZQZEAGE-LLVKDONJSA-N 208.232 2.794 0 40 BFAB CCC(=O)NC/C=C1\CCc2ccc(OC)cc21 13491249 VQMLNKJTLJWZSE-XYOKQWHBSA-N 245.322 2.551 0 40 BFAB in-vitro CCc1cccc(NC(=S)NC2CC2)c1 16182830 BDYMIZVMBVVKCQ-UHFFFAOYSA-N 220.341 2.698 0 40 BFAB COc1cc(/C=C(\C)[N+](=O)[O-])c2c(c1)CCCO2 16756656 QRESTNLPLJUBDF-RMKNXTFCSA-N 249.266 2.658 0 40 BFAB N[C@@H](CC(=O)O)c1ccc(-c2ccccc2)cc1 19519016 BJZGTTDEOZUSRH-AWEZNQCLSA-N 241.290 2.828 0 40 BFAB C[C@H](NC(=O)C1CC1)c1ccc(Cl)cc1 19935133 HEOGQOASXORPCQ-QMMMGPOBSA-N 223.703 2.927 0 40 BFAB O=C(NCc1cccc(Cl)c1)C1CCC1 21310660 BGCBIDOWQINQSH-UHFFFAOYSA-N 223.703 2.756 0 40 BFAB Cc1ccc2cc(C(=O)O)cnc2c1C 32099599 XRULEXYPJZHNOV-UHFFFAOYSA-N 201.225 2.550 0 40 BFAB Nc1oncc1-c1nc2ccccc2s1 32234859 URYWOCYRNYXAKM-UHFFFAOYSA-N 217.253 2.534 0 40 BFAB CCOC(=O)c1ccc(-c2cccc(O)c2)nc1 32576256 CKAPDAXWVPTULZ-UHFFFAOYSA-N 243.262 2.631 0 40 BFAB CCCc1cc(C(=O)N2CCC2)sc1C 32731935 PBSCSKIIKYUPMR-UHFFFAOYSA-N 223.341 2.855 0 40 BFAB CCCCN(CC)C(=O)c1n[nH]c2ccccc12 33028700 BQFCETIALLDMDT-UHFFFAOYSA-N 245.326 2.825 0 40 BFAB C/C=C/[C@H]1CCCN1C(=O)OC(C)(C)C 34497114 KOJWLBLXDVVJHG-STUBTGCMSA-N 211.305 2.962 0 40 BFAB CC(C)(C)OC(=O)n1ccc2c(CO)cccc21 38876511 XHSQCCTUAQIQMS-UHFFFAOYSA-N 247.294 2.917 0 40 BFAB Cc1cc(C)c(C)c(OC[C@@H]2CCNC2)c1 42772540 COPYKBKTRQMEQQ-CYBMUJFWSA-N 219.328 2.600 0 40 BFAB CC(C)c1cc(Br)ccn1 44118618 LUDCJEGSWQBSKR-UHFFFAOYSA-N 200.079 2.968 0 40 BFAB in-vitro O=C(NCc1cccc(C(F)(F)F)c1)C1CC1 44675574 CDGGHNUXFSZYFS-UHFFFAOYSA-N 243.228 2.732 0 40 BFAB Clc1cccc(COC[C@H]2CCCN2)c1 51816480 QGFAIHMYLUWEMQ-GFCCVEGCSA-N 225.719 2.609 0 40 BFAB CC(=O)Nc1ccc(Nc2ccccc2N)cc1 71550603 FFQHONSNKQUWHD-UHFFFAOYSA-N 241.294 2.971 0 40 BFAB Cc1nc(-c2cc(C(=O)O)ccc2O)cs1 85390071 JPWBSEMONHONID-UHFFFAOYSA-N 235.264 2.522 0 40 BFAB CNCc1ccc(C)c(C)c1OC(C)C 95094903 FJDUNNGSFVOBFC-UHFFFAOYSA-N 207.317 2.810 0 40 BFAB C[C@@H]1CN(C[C@@H]2CCOC2)c2ccccc21 95350424 WFIJWIACJJPONH-NEPJUHHUSA-N 217.312 2.647 0 40 BFAB Cc1cc(C)cc([C@H](O)c2cccn2C)c1 95727766 YPQCFLBXSWBGQR-AWEZNQCLSA-N 215.296 2.724 0 40 BFAB CCN(CC)c1ccc(C2([C@H](C)O)CC2)cc1 95739150 BMKUVFNDRGVNCU-LBPRGKRZSA-N 233.355 2.945 0 40 BFAB CCS(=O)(=O)/C=C/c1ccc(Cl)cc1 96510038 AFSVNSHDUNVULR-BQYQJAHWSA-N 230.716 2.745 0 40 BFAB CC(C)[C@@H](N)CCN(C)CCc1ccccc1 96523831 GHYFDUBQJPQCED-HNNXBMFYSA-N 234.387 2.534 0 40 BFAB Cc1csc(C[S@](=O)CC2CCCC2)n1 97033791 QNDQFCBNVZRNOR-HNNXBMFYSA-N 243.397 2.890 0 40 BFAB COc1ccc(/C=C\[C@]2(C)OC[C@H](C)O2)cc1 104359124 KMRIAENCHGJSFE-MTOSPURCSA-N 234.295 2.860 0 40 BFAB CCCC[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 217847792 IDBAJSQTEYNMHP-GHMZBOCLSA-N 243.347 2.547 0 40 BFAB Cc1ccc(C)c([C@H](O)c2ccc(N)cc2)c1 226292803 KQKKUVYVRGQYES-OAHLLOKOSA-N 227.307 2.967 0 40 BFAB Cc1cccc(C(=O)N2Cc3cccnc3C2)c1 559256423 YQUZAQIEENYVGZ-UHFFFAOYSA-N 238.290 2.546 0 40 BFAB CC(C)COc1cnc2ccc(N)cc2c1 685937824 USSUIKLBQOBWNC-UHFFFAOYSA-N 216.284 2.852 0 40 BFAB CC[C@H](OC(=O)N(C)C)c1ccccc1 2045805 IDTXPNIILSVALZ-NSHDSACASA-N 207.273 2.836 0 40 BFAB CCCCc1ccccc1NC(N)=S 2576642 SYQOFSALOCCKAR-UHFFFAOYSA-N 208.330 2.685 0 40 BFAB CC[C@H](C)NC(=O)CCc1ccccc1 3161302 BYDJCLVUFHDMRQ-NSHDSACASA-N 205.301 2.534 0 40 BFAB O=C1c2ccccc2C[C@H]2c3ccccc3CCN12 3847853 BCVJEXLLCNZHBJ-INIZCTEOSA-N 249.313 2.982 0 40 BFAB biogenic C(=C\[C@@H]1C[C@@H]2CCCN2O1)\c1ccccc1 5440026 POSFKVVXEVYCJA-WFNIXHHISA-N 215.296 2.868 0 40 BFAB CN(Cc1ccccc1)C(=O)c1ccccc1O 11639210 JSQONQZQJPHGRG-UHFFFAOYSA-N 241.290 2.664 0 40 BFAB CC[C@@H](C)NC[C@@H](C)Oc1ccccc1OC 19738541 PPVGEGCKQVFECF-VXGBXAGGSA-N 237.343 2.851 0 40 BFAB CC[C@H](C)NCc1cc(OC)ccc1OC 19882757 UPQYKMWEBHXEMT-JTQLQIEISA-N 223.316 2.592 0 40 BFAB C1CCC(N2CCN(C3CCCC3)CC2)CC1 19900038 ACVHUEWJFLBTGA-UHFFFAOYSA-N 236.403 2.879 0 40 BFAB OCCCNC(c1ccccc1)c1ccccc1 20188339 ABWLGEWGKOXLRO-UHFFFAOYSA-N 241.334 2.748 0 40 BFAB Nc1ccc(F)c(NC(=O)C2CCCC2)c1 21960260 VXYWHPUEWRDMQY-UHFFFAOYSA-N 222.263 2.537 0 40 BFAB CCN(CC)c1ccc(Br)cn1 32015733 AUNKEVOLCMQTEY-UHFFFAOYSA-N 229.121 2.690 0 40 BFAB in-vitro Cc1ccc(NC(=O)c2cccn2C)c(C)c1 32975892 XGYIQHRBQCIFOI-UHFFFAOYSA-N 228.295 2.894 0 40 BFAB C[C@@H]1C[C@H]1C(=O)N[C@@H](c1ccccc1)C1CC1 34858331 BVFWVDWDLGJAFT-HONMWMINSA-N 229.323 2.910 0 40 BFAB C[C@H](NC1CCNCC1)c1cccc(Cl)c1 38040654 CDFNMSRVVWCLBS-JTQLQIEISA-N 238.762 2.743 0 40 BFAB CCn1c(C)cc(=O)c2cc(F)cc(F)c21 40164121 NUNWZRPEMYDWGV-UHFFFAOYSA-N 223.222 2.608 0 40 BFAB CC(=O)Oc1cccc(C(=O)c2cccs2)c1 43210680 HQARSRZFEFLFQW-UHFFFAOYSA-N 246.287 2.904 0 40 BFAB CCOc1ccc(NC(=O)NC(C)C)c(C)c1 48142095 MPXJZCXZSCMJML-UHFFFAOYSA-N 236.315 2.924 0 40 BFAB O=c1[nH]c(-c2ccsc2)nc2ccc(F)cc12 48623165 JBICLZWEAGKLJT-UHFFFAOYSA-N 246.266 2.791 0 40 BFAB CNC(=O)c1oc2c(C)ccc(C)c2c1C 48963155 DPTWJQCJZPFXOW-UHFFFAOYSA-N 217.268 2.718 0 40 BFAB NC/C=C/c1ccc(Cl)c(Cl)c1 69049988 SVLYGNKFNCGGSH-OWOJBTEDSA-N 202.084 2.965 0 40 BFAB C[C@H](O)[C@@H]1CCCCN1Cc1cccc(F)c1 69703298 LSZUGIDZUKEUDY-FZMZJTMJSA-N 237.318 2.561 0 40 BFAB Oc1cccc(COc2ccccc2)c1 72209358 BNJOTBVRYQXSJX-UHFFFAOYSA-N 200.237 2.971 0 40 BFAB CCNc1ccc([C@H]2CCCCN2C(C)=O)cn1 72213109 ZWPZXNINUIBIDN-CYBMUJFWSA-N 247.342 2.587 0 40 BFAB COC(=O)c1cnc(Oc2ccccc2)cc1C 72223146 GDHZVMHDPCKSDN-UHFFFAOYSA-N 243.262 2.969 0 40 BFAB CC1CCC(O)(CSc2nncs2)CC1 76082545 CEYJNBBLBPCQKO-UHFFFAOYSA-N 244.385 2.571 0 40 BFAB CC(C)Cn1nc(N)c2cc3ccccc3nc21 89261469 RSQXRXSBZISVHD-UHFFFAOYSA-N 240.310 2.823 0 40 BFAB CCc1nc2c(s1)[C@@H](N(C)C(C)=O)CCC2 89295716 ZNFVLNXFRNYDHT-JTQLQIEISA-N 238.356 2.561 0 40 BFAB O=C(NC(C1CC1)C1CC1)N1C[C@H]2CCC[C@@H]2C1 89817870 MZJGSQNNXSFSIX-CHWSQXEVSA-N 248.370 2.617 0 40 BFAB CCc1ccc(-c2ccc(CNN)cc2)cc1 90613297 MVXHRUZYJXJKEM-UHFFFAOYSA-N 226.323 2.879 0 40 BFAB FC(F)(F)c1cccc(NN2CCCCC2)n1 95081589 PCOPVVZCPUVSKQ-UHFFFAOYSA-N 245.248 2.913 0 40 BFAB C[C@@H](NC(=O)c1ccc(O)cc1F)C(C)(C)C 95993662 CDLIMZMAPIOZTM-MRVPVSSYSA-N 239.290 2.696 0 40 BFAB CC(=O)Nc1ccccc1CNc1cc(C)on1 97045249 LHZSOURTJAYOLZ-UHFFFAOYSA-N 245.282 2.554 0 40 BFAB CN(C)[C@H]1C/C=C\C[C@@H](N(C)C)C/C=C\C1 100357316 CSMNZRTUTXHIAI-WQINBIBQSA-N 222.376 2.533 0 40 BFAB C[C@H](O)c1cn(C)c2cc(Cl)ccc12 107686477 QHHTVSKNXUHNMU-ZETCQYMHSA-N 209.676 2.885 0 40 BFAB CS[C@@H]1CC[C@@H](N(C)C[C@@H]2CCCCO2)C1 110641714 FGZKQWBWHRJSSX-FRRDWIJNSA-N 243.416 2.771 0 40 BFAB Cc1ccc(Oc2ccc(C)nc2)nc1 145575553 HLRQPTCKRHBDLX-UHFFFAOYSA-N 200.241 2.886 0 40 BFAB CCOC(=N)c1cccc(OC(F)(F)F)c1 149620037 OETWGXDXFCZLAG-UHFFFAOYSA-N 233.189 2.947 0 40 BFAB NN[C@H](c1ccccc1)c1cc(F)ccc1F 161807003 HHGGUNOFOVWMOI-CYBMUJFWSA-N 234.249 2.518 0 40 BFAB CC(=O)c1ccc(N)c(F)c1C(F)(F)F 199544386 IADBODLFBMVIJB-UHFFFAOYSA-N 221.153 2.629 0 40 BFAB CC1(C)[C@@H](O)[C@]2(Br)CC[C@@]1(C)C2 216528452 NDKVCUVWTLQJQW-JEZHCXPESA-N 233.149 2.711 0 40 BFAB Cc1cc(F)ccc1N1CCN[C@@H]2CCCC[C@H]21 218835383 PIUCDRHUXOYAGO-UKRRQHHQSA-N 248.345 2.855 0 40 BFAB CC(C)c1ccc(NC(=O)N/C=C/C(=O)O)cc1 222695572 UVZBWXOXHIZTJS-BQYQJAHWSA-N 248.282 2.530 0 40 BFAB COC(=O)c1ccccc1Cn1cccc1C 226032393 MIYYLMHZOHXUDK-UHFFFAOYSA-N 229.279 2.631 0 40 BFAB Cc1cc(NC(C)C)nc(-c2ccc(N)cc2)n1 226103389 XHGBALJZOWWJRP-UHFFFAOYSA-N 242.326 2.855 0 40 BFAB OCCOc1cccc2scc(Cl)c12 228939483 GFHSLSXKYGWNRN-UHFFFAOYSA-N 228.700 2.926 0 40 BFAB CC(C)CCN1C[C@H](O)C[C@H]1CC(C)C 242687516 ULFUZDXSRZTKJJ-CHWSQXEVSA-N 213.365 2.514 0 40 BFAB CC1(C)C[C@H](Oc2ncccc2F)C[C@H](N)C1 694574329 IRTPJTIMZMOCNY-VHSXEESVSA-N 238.306 2.506 0 40 BFAB CN(Cc1ccccc1)C(=O)c1ccccc1 409936 UMDIHTNTVUNIDS-UHFFFAOYSA-N 225.291 2.959 0 40 BFAB COc1ccc(CC(=O)c2ccccn2)cc1 500129 YGPQVDXDYXGKIN-UHFFFAOYSA-N 227.263 2.516 0 40 BFAB Cc1cc(C)nc(NC(=O)c2ccccc2C)n1 513899 LKCQLVINAMAFDV-UHFFFAOYSA-N 241.294 2.654 0 40 BFAB CC1=NN(Cc2ccccc2)C(=O)OC1(C)C 1027255 CSBBUMVJORHTIY-UHFFFAOYSA-N 232.283 2.793 0 40 BFAB Fc1ccccc1CSc1ncccn1 1371909 JLMKPEPVQXFRLK-UHFFFAOYSA-N 220.272 2.908 0 40 BFAB Cc1c([C@@H](C)C(=O)O)c2ccccc2n1C 1691939 HJMMPTYUZJVSMF-MRVPVSSYSA-N 217.268 2.675 0 40 BFAB CCCCn1cnc2sc(CC)cc2c1=O 1892806 PHNRMTGQHJQPIN-UHFFFAOYSA-N 236.340 2.821 0 40 BFAB O=C(CCC1OCCCO1)c1ccccc1F 2581209 OZPDJANGVDXXCP-UHFFFAOYSA-N 238.258 2.552 0 40 BFAB O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)c1ccccc1F 4858532 WJSFUWIGJYCFAX-CWSCBRNRSA-N 233.286 2.744 0 40 BFAB CCCCCCSc1nc(C)cc(=O)[nH]1 5129290 BVHSWWDTJRBRKS-UHFFFAOYSA-N 226.345 2.751 0 40 BFAB CCCCC(=O)Nc1nonc1-c1ccccc1 5353910 PXIUTZAZWQLQFV-UHFFFAOYSA-N 245.282 2.865 0 40 BFAB O=C(NCc1cccs1)OCC(F)(F)F 8324318 KHRKYZKALYFWNH-UHFFFAOYSA-N 239.218 2.537 0 40 BFAB CCOc1cccc(CN[C@@H](C)CC)c1 8326764 SZWHMRBUNNCIBJ-NSHDSACASA-N 207.317 2.973 0 40 BFAB CCCC(CCC)C(=O)NCc1ccccn1 8714255 UQFAHDJERLHPCA-UHFFFAOYSA-N 234.343 2.914 0 40 BFAB O=C(O)c1ccc(Cl)cc1-n1cccc1 9239326 DNBQADMPTHCMLH-UHFFFAOYSA-N 221.643 2.829 0 40 BFAB in-vitro Cc1cc(OCCC(=O)O)cc(C)c1Cl 11800214 OEIJOSOCXFPJQX-UHFFFAOYSA-N 228.675 2.810 0 40 BFAB O=Cc1cc2c(cc1O)[nH]c1c(O)cccc12 13482924 IGPNSSMZXGKMGU-UHFFFAOYSA-N 227.219 2.545 0 40 BFAB biogenic O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)C1CCCCC1 13716900 QLUAISSKUYNJKR-CYZMBNFOSA-N 221.344 2.872 0 40 BFAB COc1ccc(C(=O)C2CCC2)cc1C 19725787 JPOGULQYTPZQEP-UHFFFAOYSA-N 204.269 2.986 0 40 BFAB CC[C@@H](N[C@@H](C)COC)c1ccccc1 19904524 IIBMQZZXJOXUJV-WCQYABFASA-N 207.317 2.762 0 40 BFAB CC(C)CCN1C(=O)CCc2cc(N)ccc21 34936253 RBVQUOCYRUOZST-UHFFFAOYSA-N 232.327 2.594 0 40 BFAB Nc1ccccc1OCCOCc1ccccc1 36671667 RWIXRDGGAOWECL-UHFFFAOYSA-N 243.306 2.864 0 40 BFAB CCCCO[C@H](C(=O)O)c1ccccc1 37093088 HISYJBCEQBWADD-NSHDSACASA-N 208.257 2.629 0 40 BFAB CON(C)C(=O)Nc1cccc(C(F)(F)F)c1 39645700 JETUFWCZVPXLOH-UHFFFAOYSA-N 248.204 2.731 0 40 BFAB CC(=O)Cc1ccc(Br)cc1F 43502027 XUGKKLBNVNYKSX-UHFFFAOYSA-N 231.064 2.720 0 40 BFAB in-vitro CCOc1cccc(CNC(=O)c2ccoc2)c1 48345256 WAEQMDINVNNQTH-UHFFFAOYSA-N 245.278 2.608 0 40 BFAB Cc1ccc(SCc2noc(C)n2)cc1 57685760 JDEUNYXYCXPQLR-UHFFFAOYSA-N 220.297 2.979 0 40 BFAB CCN(CC)c1ccc([C@H]2C[C@H]2C(=O)O)cc1 62494906 NJIHMBLXLQEENL-CHWSQXEVSA-N 233.311 2.721 0 40 BFAB CC[C@@H](SC)c1ccc(C(=O)O)o1 62702063 VBDQRVQXVHQFHK-MRVPVSSYSA-N 200.259 2.792 0 40 BFAB CCCC(=O)OCC(F)(F)C(F)(F)F 72265735 YMWPJMPKVSDHLD-UHFFFAOYSA-N 220.137 2.527 0 40 BFAB in-vitro C1CCC(c2noc(CC3CCNCC3)n2)CC1 72328574 QSNPYHYVJVTZLU-UHFFFAOYSA-N 249.358 2.659 0 40 BFAB Cc1nccc(C(=O)OC[C@H]2CC=CC[C@H]2C)n1 79790610 BURHNMUPWULKKC-ZYHUDNBSSA-N 246.310 2.544 0 40 BFAB O=C(c1ccccc1)N1CCC[C@H]1C1CC1 82355266 HSMBKZOJUISAEJ-ZDUSSCGKSA-N 215.296 2.701 0 40 BFAB CCCNCc1c(C)cc(C)cc1OC 83266681 JIEVCZMUYDMILB-UHFFFAOYSA-N 207.317 2.812 0 40 BFAB O=C(O)/C=C/c1ccccc1-c1cccnc1 83324632 IBIHVXADLQEZPP-BQYQJAHWSA-N 225.247 2.846 0 40 BFAB C[C@H](N)c1ncc(Br)cc1Cl 83428645 DOVCFQCAVQSKQC-BYPYZUCNSA-N 235.512 2.517 0 40 BFAB CC(C)Oc1cccc([C@H](O)c2ccccn2)c1 89065054 IAAYIVNZVRAMET-HNNXBMFYSA-N 243.306 2.951 0 40 BFAB Cc1ccc(C)c(Sc2nccn(C)c2=O)c1 95403032 JLDWOKWVBNQGBS-UHFFFAOYSA-N 246.335 2.548 0 40 BFAB COc1ccc(C(F)(F)F)cc1CC(C)=O 95629680 FZPGAUWOPLHLOS-UHFFFAOYSA-N 232.201 2.846 0 40 BFAB COCOCc1ccc(C(F)(F)F)cc1 98174961 ZCWYHZXVQTWRJF-UHFFFAOYSA-N 220.190 2.826 0 40 BFAB COC(=O)c1ccc(-c2ccc(O)cc2)s1 113967749 MSCOMZNDKVOGGI-UHFFFAOYSA-N 234.276 2.907 0 40 BFAB O=C(c1cc(Br)cs1)C(F)F 144019013 GNCCQPNLXVLRQC-UHFFFAOYSA-N 241.056 2.958 0 40 BFAB CCNCc1ccc(Cc2ccco2)n1CC 226021493 DRPLHIZLBGHJIJ-UHFFFAOYSA-N 232.327 2.801 0 40 BFAB c1ccc(NCc2cn3ccccc3n2)cc1 229993 GCXYJQHMUUIXGL-UHFFFAOYSA-N 223.279 2.946 0 40 BFAB CCCCOC(=O)c1ccc(OC)cc1 1687899 DXKMHDQQRQRYCI-UHFFFAOYSA-N 208.257 2.652 0 40 BFAB FC(F)(F)c1cccc(Nc2ncn[nH]2)c1 3028750 HVENNWUONZHZDN-UHFFFAOYSA-N 228.177 2.567 0 40 BFAB C[n+]1ccccc1/C=C/c1ccccc1F 3895209 AXNRBVNXCLSREY-MDZDMXLPSA-N 214.263 2.821 0 40 BFAB Cc1ccc(-c2csc(NN)n2)c(C)c1 4294022 HCCHNOHMKDPEIH-UHFFFAOYSA-N 219.313 2.713 0 40 BFAB C[C@H]1Cc2c(sc3nc[nH]c(=O)c23)C(C)(C)C1 4576414 WEXSCCVCUAVMMK-ZETCQYMHSA-N 248.351 2.845 0 40 BFAB Cc1cccnc1NC(=O)c1ccoc1C 5936239 RVDBLHUQTAOJAS-UHFFFAOYSA-N 216.240 2.544 0 40 BFAB Cc1nc(CNCc2ccccc2)cs1 6784976 UIKTWTXTQXMCLY-UHFFFAOYSA-N 218.325 2.741 0 40 BFAB Cc1ccc([C@H](C)NC(=O)c2ccncc2)cc1 13328116 LODBLZMRYMHSGS-LBPRGKRZSA-N 240.306 2.881 0 40 BFAB COc1cccc(CC[C@@H]2CCCCN2)c1 13483612 XUYIUFDWIAWRKK-ZDUSSCGKSA-N 219.328 2.770 0 40 BFAB CC[C@@H](C)NC[C@H](C)Oc1ccccc1OC 19738543 PPVGEGCKQVFECF-NEPJUHHUSA-N 237.343 2.851 0 40 BFAB O=Cc1cccc(Oc2ccnc(Cl)n2)c1 20357639 VAMZQCOWTSWLQN-UHFFFAOYSA-N 234.642 2.735 0 40 BFAB Cc1ccccc1Nc1nc(CO)cs1 21951930 ZRPFGTBLFUUFDU-UHFFFAOYSA-N 220.297 2.687 0 40 BFAB in-vitro CC(C)C(=O)Nc1ccc(N)c(C(F)(F)F)c1 22144913 SAKLWQRDMOSOGQ-UHFFFAOYSA-N 246.232 2.882 0 40 BFAB in-vitro CCCCC[C@H](C)N[C@H](C)Cn1cccn1 37154491 BAWSJWCOJQCLGU-QWHCGFSZSA-N 223.364 2.830 0 40 BFAB O=C(O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F 37380703 URRRSJNYUQVDCI-JGVFFNPUSA-N 246.184 2.773 0 40 BFAB in-vitro Cn1cnnc1SCc1ccc(Cl)s1 40456919 YLWVWFVAHGZGQE-UHFFFAOYSA-N 245.760 2.822 0 40 BFAB C[C@@H]1CCCC[C@@H]1NCCN1CCCCC1 41582424 LTYYIVCKEHVRHA-KGLIPLIRSA-N 224.392 2.641 0 40 BFAB CC(=O)Oc1ccc(C(=O)c2cccs2)cc1 43210681 DBKNRDYNXMZHRK-UHFFFAOYSA-N 246.287 2.904 0 40 BFAB O[C@@H](c1cccc(Cl)c1)C(F)(F)F 43367871 IFUMGCOCVZUIRR-ZETCQYMHSA-N 210.582 2.936 0 40 BFAB in-vitro NCCCc1cc(Cl)ccc1OC(F)F 44280318 ATBOETNKFNJXCV-UHFFFAOYSA-N 235.661 2.833 0 40 BFAB CCCCNC(=O)c1ccccc1SC 47464436 CSNDZKLCEPJMFZ-UHFFFAOYSA-N 223.341 2.938 0 40 BFAB C[C@@H](Nc1ccc2ccccc2c1)C(=O)O 59211839 RWLSBXBFZHDHHX-SECBINFHSA-N 215.252 2.725 0 40 BFAB CN1CCC[C@H](CN)[C@@H]1c1cccc(Cl)c1 68577299 QEZHRHPXKIVCHH-YPMHNXCESA-N 238.762 2.682 0 40 BFAB in-vitro Cc1nccc(Cl)c1Br 71788789 MVOLARAAJFTTCC-UHFFFAOYSA-N 206.470 2.806 0 40 BFAB in-vitro CC(=O)N1CCC[C@@H]1c1c[nH]c(=S)cc1C 72218314 KEAIMMYMLOSKJF-LLVKDONJSA-N 236.340 2.736 0 40 BFAB CCOC(=O)c1c(N)ccc2ccccc12 78213996 RANBHWBJIYHUEX-UHFFFAOYSA-N 215.252 2.599 0 40 BFAB O=C(Nc1ccccc1)c1ccc2[nH]ncc2c1 82271419 PAIBVFBAWSNBDY-UHFFFAOYSA-N 237.262 2.815 0 40 BFAB c1cc2c(C3CCNCC3)c[nH]c2s1 82378427 VWYHKGSHFQBLGQ-UHFFFAOYSA-N 206.314 2.696 0 40 BFAB C[C@@H](c1ccccn1)N(C)Cc1ccccn1 91990738 MLIJUFZTDPFALN-LBPRGKRZSA-N 227.311 2.670 0 40 BFAB CC(=O)N1CCCc2cc(Cl)cc(F)c21 95394323 OTJFIMYPCHWLKF-UHFFFAOYSA-N 227.666 2.778 0 40 BFAB COC[C@H]1CCCN1C(=O)C1CCCCCC1 95407226 UEDHNWVKBXCPTF-CYBMUJFWSA-N 239.359 2.594 0 40 BFAB Clc1nccn2nc(-c3ccco3)cc12 96516366 YGCYJJRLDINGHE-UHFFFAOYSA-N 219.631 2.643 0 40 BFAB Cc1coc(SCc2nccn2C(F)F)n1 188350196 LMYJYUWLIBBJRJ-UHFFFAOYSA-N 245.254 2.867 0 40 BFAB CNCc1ccn([C@H](C)c2ccccc2)c1 223694315 CXFYLCVSHLEGSJ-GFCCVEGCSA-N 214.312 2.817 0 40 BFAB Nc1cc2ccc(-c3ccccc3)nc2[nH]1 228967739 QOYUGTOIUFLMLS-UHFFFAOYSA-N 209.252 2.812 0 40 BFAB CCn1ncc(NCCc2ccccc2)c1C 256053882 UALYFFXVTRNGSV-UHFFFAOYSA-N 229.327 2.866 0 40 BFAB O=C1Nc2cc(C(F)(F)F)ccc2[C@@H]1F 257198213 WHNNUZIGIVYACR-ZETCQYMHSA-N 219.137 2.668 0 40 BFAB CC(C)C(CN(C)[C@@H](C)C[S@@](C)=O)C(C)C 330031834 DUWJUYBZBJPSCE-BLLLJJGKSA-N 247.448 2.613 0 40 BFAB NC[C@@H](Cc1nc2ccccc2o1)C(F)(F)F 575422226 AMSJCDSRWVLVLV-SSDOTTSWSA-N 244.216 2.508 0 40 BFAB COC1=CC(=[N+]2CCCCC2)CC(C)(C)C1 1581807 BDDBAFHWSOEBJB-UHFFFAOYSA-N 222.352 2.974 0 40 BFAB COc1ccc(/C=C/[n+]2ccccc2)cc1OC 1668837 DWAIZJWSZUGFST-DHZHZOJOSA-N 242.298 2.619 0 40 BFAB C[C@H]1CC(C)(C)N[C@@H](c2ccccc2)O1 1678142 LIYXZGJOUFBNHP-CMPLNLGQSA-N 205.301 2.862 0 40 BFAB COC(=O)c1cc(-c2ccc(Cl)cc2)on1 2482946 QDMSFKKRLBUFHN-UHFFFAOYSA-N 237.642 2.782 0 40 BFAB Cc1ccc(C(=O)n2c(C)nc3ccccc32)o1 2794933 VYGUIYVCINHJMV-UHFFFAOYSA-N 240.262 2.935 0 40 BFAB Cc1cccc(NC(=O)CN2CCCCCC2)c1 5259176 MFRYUZBSBKMKLG-UHFFFAOYSA-N 246.354 2.810 0 40 BFAB CCC(=O)Nc1nc(-c2cccnc2)cs1 6309324 MYECGKZDGHFYIO-UHFFFAOYSA-N 233.296 2.554 0 40 BFAB O=[S@@](Nc1ccccc1)c1cccs1 6475633 MPDYGTPTVUMAGZ-AWEZNQCLSA-N 223.322 2.883 0 40 BFAB Cc1cc(C)n(-c2ccc(CCC(=O)O)cc2)n1 6681884 UXVUVAJZAGAJEI-UHFFFAOYSA-N 244.294 2.506 0 40 BFAB COc1ccc([C@@H](N)c2ccccc2OC)cc1 19421311 YFEPNAXCRDJMES-OAHLLOKOSA-N 243.306 2.752 0 40 BFAB in-vitro NCCc1csc2nc(-c3cccs3)cn12 19754601 LYYICVGNXVZPIX-UHFFFAOYSA-N 249.364 2.626 0 40 BFAB CC(C)c1ccc(-c2noc([C@H](C)N)n2)cc1 19785457 KVLHGMLYZICNNW-VIFPVBQESA-N 231.299 2.880 0 40 BFAB in-vitro COc1cccc(C(=O)Cc2ccccn2)c1 20427195 BJPKROTYUZRAQW-UHFFFAOYSA-N 227.263 2.516 0 40 BFAB C[C@H](N)[C@@H]1C[C@@H]1c1c(F)cccc1Cl 20594443 CZKQSLLXAYNKFM-FXQIFTODSA-N 213.683 2.930 0 40 BFAB CC(C)(C)OC(=O)Nc1ccc2c(c1)CCNC2 22014038 MHRATZZZIMQAPX-UHFFFAOYSA-N 248.326 2.679 0 40 BFAB Cc1ccccc1[C@@H](C)NC(=O)NC(C)C 25992407 VIQSYXZXSLMPBI-LLVKDONJSA-N 220.316 2.764 0 40 BFAB Cc1ccc(NC(=O)c2cc(Cl)ccn2)nc1 27993331 IYGIQBXMPUQZTF-UHFFFAOYSA-N 247.685 2.691 0 40 BFAB CC[C@H](C)NC(=O)Nc1cccc(NC(C)=O)c1 32862251 WVIBAVOFIHSHQC-VIFPVBQESA-N 249.314 2.565 0 40 BFAB Fc1ccc(-c2cnc([C@H]3CCCN3)o2)cc1 36162577 SGIBHGOHBSAYQQ-LLVKDONJSA-N 232.258 2.905 0 40 BFAB O=C(CSCc1cccs1)NCC1CC1 36392134 NRVBONXTGVLRKU-UHFFFAOYSA-N 241.381 2.508 0 40 BFAB O=C(c1ccsc1)N1CCOc2ccccc21 36763856 MKZXHQGKPBYPMP-UHFFFAOYSA-N 245.303 2.787 0 40 BFAB CCN(CC)C(=O)c1cc(Cl)nc(Cl)c1 36951647 VTLIYTIAWFDILD-UHFFFAOYSA-N 247.125 2.870 0 40 BFAB C[C@@H](CN)c1cccc(C(F)(F)F)c1 37245664 LZHPSFNIFXANNY-ZETCQYMHSA-N 203.207 2.768 0 40 BFAB c1cc(NC2CCOCC2)cc(N2CCCC2)c1 37775172 XIKDWCQEZMCPCY-UHFFFAOYSA-N 246.354 2.878 0 40 BFAB Nc1nc(-c2ccc(Br)o2)cs1 39289535 JHRJHHTUQFDOIA-UHFFFAOYSA-N 245.101 2.748 0 40 BFAB CCn1ncc(Br)c1C(F)(F)F 41043594 QMSNVUNMXIYZMZ-UHFFFAOYSA-N 243.026 2.684 0 40 BFAB Cc1ccnc(C(=O)c2ccc(F)cc2F)c1 45028628 IKVIEQWFBONHBP-UHFFFAOYSA-N 233.217 2.899 0 40 BFAB O=C(NCc1cccc(F)c1)Nc1ccccn1 45608260 YXKBWZQPOXXMQU-UHFFFAOYSA-N 245.257 2.542 0 40 BFAB CCC[C@@H](C(=O)N(C)C)c1ccccc1 47651865 NYRQSGPYTNPIPM-GFCCVEGCSA-N 205.301 2.659 0 40 BFAB CC[C@H](NC[C@H](O)CC)c1cccs1 49530586 OBBBOBXHCKLPNG-ZJUUUORDSA-N 213.346 2.560 0 40 BFAB CN(C)C(=O)Nc1ccc(OC(F)F)c(F)c1 69739877 VJRIDYNAVQGICH-UHFFFAOYSA-N 248.204 2.521 0 40 BFAB COc1cccc(C(=O)NC2CCCC2)c1C 72115336 KXNMWYUYRAZSCI-UHFFFAOYSA-N 233.311 2.676 0 40 BFAB C[C@H]1Cc2c(Br)cccc2O1 84306226 XADVHUPVGQLDNF-LURJTMIESA-N 213.074 2.773 0 40 BFAB CCOCC[C@H](CC)CNCC1CCC1 85396108 OZTIGWZTHBWCSO-LBPRGKRZSA-N 213.365 2.829 0 40 BFAB CCc1c(N)cnn1-c1cccc(Cl)c1 85634385 XPWZEFLUHZHEDZ-UHFFFAOYSA-N 221.691 2.670 0 40 BFAB CN(C)C(=O)c1ccc(Nc2ccncc2)cc1 96411817 IJWANAFGWPYVOG-UHFFFAOYSA-N 241.294 2.527 0 40 BFAB CO[C@H]1CCCC[C@@H]1OC(=O)C1CCCC1 97404917 RMNIRHDUCYXNFX-RYUDHWBXSA-N 226.316 2.677 0 40 BFAB OC[C@@]12c3ccccc3[C@@H]3c4ccccc4[C@H]1[C@@H]32 100971933 HUSHTEIJWWUKCO-MWDXBVQZSA-N 234.298 2.789 0 40 BFAB Cc1c(C(=O)O)ccn1Cc1ccccc1 108235947 IKZHQAOKRXYAET-UHFFFAOYSA-N 215.252 2.543 0 40 BFAB CCc1ncnc(N[C@H](C)c2ccncc2)c1F 194963579 RUUDLWOBQNXOHH-SECBINFHSA-N 246.289 2.746 0 40 BFAB Cc1cc(NCc2ccccn2)c(C)cc1N 223780784 BVLORRORBZZEMB-UHFFFAOYSA-N 227.311 2.893 0 40 BFAB O=C(NCCCc1ccc(Cl)cc1)C1CC1 225384056 XGHDUVRIBUDZGU-UHFFFAOYSA-N 237.730 2.799 0 40 BFAB CCCCCCNCc1cnn(CC(F)F)c1 256052082 LWDAMJDDWQBLGB-UHFFFAOYSA-N 245.317 2.818 0 40 BFAB CNC[C@@H](OC)c1cccc(C(F)(F)F)c1 313 CXLOIJUDIPVKOU-SNVBAGLBSA-N 233.233 2.612 0 40 BFAB in-man CC(C)=CCS(=O)(=O)c1ccc(C)cc1 356668 JSVDFYYBKNPBRK-UHFFFAOYSA-N 224.325 2.735 0 40 BFAB COC(=O)[C@H](C)Oc1ccc2ccccc2c1 967844 XPUKIATWMAOOFP-JTQLQIEISA-N 230.263 2.780 0 40 BFAB biogenic,in-vitro Cc1cccc(NC(=S)NC(=O)C2CC2)c1C 1003759 CQSAPDOGEUFYNB-UHFFFAOYSA-N 248.351 2.526 0 40 BFAB c1ccc2c(c1)nc(-n1cccn1)c1cccn12 1389504 IMXRLGXYSIWQDV-UHFFFAOYSA-N 234.262 2.673 0 40 BFAB CNc1ncc(C(=O)c2ccc(F)cc2)s1 1399941 YKYSGOJCXISTKX-UHFFFAOYSA-N 236.271 2.555 0 40 BFAB CCCCCCSC(=O)NC(C)=O 1706645 PGRMABFWBBXCPR-UHFFFAOYSA-N 203.307 2.556 0 40 BFAB Cc1ccc2ccc(CC[C@@H](C)O)cc2n1 3844799 BOODIWKFJDOAEC-LLVKDONJSA-N 215.296 2.857 0 40 BFAB biogenic COc1cc(CO)cc(Cl)c1OC(C)C 8727787 WEIHUURYKWZWEH-UHFFFAOYSA-N 230.691 2.628 0 40 BFAB c1ccc(Cn2cc(-c3ccccc3)nn2)cc1 9471328 GANAQXGHGKBVKP-UHFFFAOYSA-N 235.290 2.993 0 40 BFAB COc1cccc2cc(C(=O)O)c(Cl)nc12 11985725 MIFDWDVYYIFPQC-UHFFFAOYSA-N 237.642 2.595 0 40 BFAB CC[C@@H](C)C(=O)Nc1cc(C)ccc1OC 12553473 IIXRVDVDZFZKGL-SNVBAGLBSA-N 221.300 2.988 0 40 BFAB C[C@H](CC(=O)O)CC(=O)c1cc(F)cc(F)c1 15441763 CLNJUIWHVAHCGO-ZETCQYMHSA-N 242.221 2.648 0 40 BFAB CC(C)C[C@H](C)NN[C@H](C)CC(C)C 19167512 QJWWTYXKKAKIRM-TXEJJXNPSA-N 200.370 2.950 0 40 BFAB Cc1ccc(CNCCc2cccs2)o1 19948613 ZSSFGEYHHYPEFV-UHFFFAOYSA-N 221.325 2.982 0 40 BFAB C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)O 21953086 KANKFINQYMYIRL-SECBINFHSA-N 222.284 2.836 0 40 BFAB in-vitro CC[C@H]1CCCCN1C(=O)c1ccoc1C 32747682 LCDXABQPHZHMGB-NSHDSACASA-N 221.300 2.993 0 40 BFAB CCN(CC)C(=O)[C@H]1Cc2ccccc2S1 32876672 CWZMRCWDTQDJCD-GFCCVEGCSA-N 235.352 2.572 0 40 BFAB CCOC(=O)OCC(Cl)(Cl)Cl 33947268 VAGFIAKDUREVLI-UHFFFAOYSA-N 221.467 2.530 0 40 BFAB COC(=O)c1ccc(OC(C)(C)C)cc1 34099476 KUFWTSNZJDTHQD-UHFFFAOYSA-N 208.257 2.651 0 40 BFAB Clc1ccc(-c2ccc3c(c2)OCO3)nn1 34182206 JTVYQTIMSPNOID-UHFFFAOYSA-N 234.642 2.526 0 40 BFAB in-vitro COC(=O)c1ccc(C(=O)C(C)(C)C)cc1 39019332 JMICZAIZGGETSC-UHFFFAOYSA-N 220.268 2.702 0 40 BFAB CC(C)CCC(=O)NCCc1ccsc1 40509549 BHLVHPZCPORLSJ-UHFFFAOYSA-N 225.357 2.843 0 40 BFAB Cc1cc(Br)c2ocnc2c1 41568864 CQQVMDNBZICMQJ-UHFFFAOYSA-N 212.046 2.899 0 40 BFAB Clc1cc(Br)c2[nH]ccc2n1 43220692 SCNMQFXKQROQTL-UHFFFAOYSA-N 231.480 2.979 0 40 BFAB in-vitro Cc1ncc(CN(C)Cc2cscn2)s1 48333248 VZWXUKONDJSFJV-UHFFFAOYSA-N 239.369 2.540 0 40 BFAB CNC[C@@H](OC)c1cccc2ccccc12 62711496 USTPTINEMIXNMJ-CQSZACIVSA-N 215.296 2.747 0 40 BFAB CCC[C@H]1CN(Cc2ccccc2)C[C@@H]1C(=O)O 69271751 UMRXNHLOLHXPOS-KBPBESRZSA-N 247.338 2.619 0 40 BFAB CCN(C(=O)CCc1ccccc1F)C1CC1 69348204 CMWBKMTZLBZOPL-UHFFFAOYSA-N 235.302 2.769 0 40 BFAB CC[C@@H](C)C(=O)N[C@H](C)Cc1cccs1 69413859 HVRGWWISBYQUMV-NXEZZACHSA-N 225.357 2.841 0 40 BFAB C[C@@H]1CC(CO)C[C@@H](C)N1Cc1ccccc1 72206928 APHDBYYXZFJYMF-CHWSQXEVSA-N 233.355 2.668 0 40 BFAB Clc1cc(N2CCOCC2)c2ccccc2n1 72210624 DMEKKBSPAVNKTO-UHFFFAOYSA-N 248.713 2.725 0 40 BFAB CCCN1CCC[C@H]1c1ccnc(C)c1 72219460 SMSCPQHKHTXATC-ZDUSSCGKSA-N 204.317 2.937 0 40 BFAB COc1cc(C(=O)N(C)C2CCC2)ccc1C 75147808 TYJAXWCFCHYUNB-UHFFFAOYSA-N 233.311 2.628 0 40 BFAB COc1c(C)cc(C(=O)c2ccccn2)cc1C 84547112 UNAGWDSZRKQMIM-UHFFFAOYSA-N 241.290 2.938 0 40 BFAB Clc1ccc(Oc2cccnc2)nc1 85316371 BWTBIXWWYUSHPO-UHFFFAOYSA-N 206.632 2.922 0 40 BFAB Cc1ccc(C(=O)N2CCC[C@H]3CCC[C@H]32)cn1 89652186 ACQBUCQOLVGCQZ-TZMCWYRMSA-N 244.338 2.795 0 40 BFAB C[C@H](NCc1ccon1)c1ccccc1N(C)C 93946501 APDXKJJGXKYGBB-NSHDSACASA-N 245.326 2.591 0 40 BFAB CN[C@@H]1CCc2c1cnn2C1CCCCC1 95098083 XCZSRSHBKRRDFO-GFCCVEGCSA-N 219.332 2.595 0 40 BFAB CC(C)COc1cc(F)cc(C(=O)O)c1 95732479 OVKCZPSWSRIZGY-UHFFFAOYSA-N 212.220 2.559 0 40 BFAB Fc1ccc(C=C2CCNCC2)cc1F 95882102 MVYGXIKKBUTSAG-UHFFFAOYSA-N 209.239 2.732 0 40 BFAB CSc1cccc(C(=O)C(F)F)c1 95917240 PIQXZHJXNQMHFS-UHFFFAOYSA-N 202.225 2.856 0 40 BFAB Cc1nc(COC(=O)c2ccncc2)sc1C 96442728 WSVROHCIUIEUIL-UHFFFAOYSA-N 248.307 2.512 0 40 BFAB CC(C)[C@H](N)CCN1CCCCCCC1 96523796 IHAOFQVIIGSAGN-CYBMUJFWSA-N 212.381 2.626 0 40 BFAB Cc1nc(N)cc2cc(Br)ccc12 199564049 UQMKLLFVSWUYAU-UHFFFAOYSA-N 237.100 2.888 0 40 BFAB Cc1cc(C)nc(NC(=S)NC(C)(C)C)c1 223881916 GGFHGUWSRFRMKZ-UHFFFAOYSA-N 237.372 2.783 0 40 BFAB COc1cccc2c1CCN2C(=O)OC(C)(C)C 238396967 WEAUCXVQOBGGMU-UHFFFAOYSA-N 249.310 2.993 0 40 BFAB COc1cc(Br)c(C)cc1C(C)=O 953039156 AONWUUSOLNVNPB-UHFFFAOYSA-N 243.100 2.969 0 40 BFAB Cc1[nH]c2ccc(C(=O)n3ccnc3)cc2c1C 115340 HSXYXEJHGDLYEG-UHFFFAOYSA-N 239.278 2.670 0 40 BFAB COc1ccccc1C(=O)Nc1ccccc1N 1022011 RMBSMGDXQQFORT-UHFFFAOYSA-N 242.278 2.530 0 40 BFAB c1ccc(-c2csc(-n3cccn3)n2)cc1 1394927 LINVJDKMFVYYAS-UHFFFAOYSA-N 227.292 2.996 0 40 BFAB O=C1c2ccccc2-c2cc3ccccc3c(=O)n21 1608278 MTNJPOTYDQNBCL-UHFFFAOYSA-N 247.253 2.670 0 40 BFAB O=C(O)CCCCOc1ccc(Cl)cc1 3138378 DCZDRIPLJUPMKH-UHFFFAOYSA-N 228.675 2.974 0 40 BFAB CNc1cccc2cccc(N(C)C)c12 5141031 RBSSKSPWLOAFJU-UHFFFAOYSA-N 200.285 2.948 0 40 BFAB in-vitro CC[C@@H](C)NCc1ccc(OC)c(OC)c1 5907272 LOJMAQUUOZIZOY-SNVBAGLBSA-N 223.316 2.592 0 40 BFAB CC(C)OCCCNC(=O)Nc1ccccc1 6307124 XICVQGXZPBKWPI-UHFFFAOYSA-N 236.315 2.623 0 40 BFAB C/C=C/C=C\C(=O)Nc1ccccc1OC 8907635 BMSFDRIZZKRSBD-STMOGGTPSA-N 217.268 2.766 0 40 BFAB Cc1ccc(Cl)cc1NCC(=O)NC(C)C 9155220 GOJSRWCAJCYERW-UHFFFAOYSA-N 240.734 2.585 0 40 BFAB O=C(NCCc1ccco1)C1CCCCC1 12374905 HQQMLBYUKWAEEO-UHFFFAOYSA-N 221.300 2.519 0 40 BFAB Cc1sc2ncnc(NC3CC3)c2c1C 19797032 ARPUVYCKWSKPHZ-UHFFFAOYSA-N 219.313 2.882 0 40 BFAB S=C1Cc2ccc(Br)cc2N1 21990054 CUGLLDWLADMIQR-UHFFFAOYSA-N 228.114 2.745 0 40 BFAB in-vitro COc1cc(F)ccc1NC(=O)c1occc1C 25311316 NBXMXZQUYMNHEN-UHFFFAOYSA-N 249.241 2.988 0 40 BFAB CC(C)NCc1csc(-c2ccccn2)n1 35053796 MBMBAFDDGHEGNM-UHFFFAOYSA-N 233.340 2.703 0 40 BFAB COCc1ccc(CNC(=O)CC(C)(C)C)cc1 36395824 WZXOHGQCAJWUJI-UHFFFAOYSA-N 249.354 2.885 0 40 BFAB CCc1ccc(-c2n[nH]c(N)c2C)cc1 36936107 OSUNWMNFJDIIMZ-UHFFFAOYSA-N 201.273 2.530 0 40 BFAB COC(=O)c1cc(C(C)(C)C)c(O)cc1C 39119638 GZOZJXAZKWJMHP-UHFFFAOYSA-N 222.284 2.785 0 40 BFAB C[C@@H]1c2ccccc2O[C@@H]1C(=O)N1CCCCC1 40584934 SOPJKQLPXWGEQG-RISCZKNCSA-N 245.322 2.564 0 40 BFAB CCC(CC)C(=O)N1CCO[C@H]2CCCC[C@@H]21 41194568 YOPFGUNYXPWGOF-STQMWFEESA-N 239.359 2.593 0 40 BFAB COc1ccccc1COCC[C@H]1CCCNC1 42771847 CJZWOPHXJYFVIG-CYBMUJFWSA-N 249.354 2.602 0 40 BFAB COC[C@@H](C)CN[C@@H](C)c1ccccc1C 45656257 SCXFPWFTIFTJPQ-AAEUAGOBSA-N 221.344 2.928 0 40 BFAB Cc1cc(C=O)ccc1Oc1cccnc1 50545181 RUHZIVBIUFNSRP-UHFFFAOYSA-N 213.236 2.995 0 40 BFAB in-vitro Cc1cc(C)c(NCc2nccn2C)c(C)c1 51923584 MCFNMGFFVGZYMG-UHFFFAOYSA-N 229.327 2.957 0 40 BFAB Cc1ccc(OCCCC(=O)O)c(Cl)c1 54348430 LCJRUFKEVHYJBQ-UHFFFAOYSA-N 228.675 2.892 0 40 BFAB in-vitro Cc1nc(CSc2ccc(F)cc2F)no1 57707828 HBRCZCMNCZDKLU-UHFFFAOYSA-N 242.250 2.949 0 40 BFAB CC(C)Cc1ccc2c(c1)CNCCC2 57937944 ASJCQRQQIDOZOE-UHFFFAOYSA-N 203.329 2.921 0 40 BFAB O=C(O)c1cnoc1-c1ccc(Cl)s1 71534317 ZSTCCJSOOXRQSR-UHFFFAOYSA-N 229.644 2.755 0 40 BFAB in-vitro CCN1CCCC[C@H]1c1cccc(C)n1 72211094 SIEIWTTUOGNWLC-ZDUSSCGKSA-N 204.317 2.937 0 40 BFAB CC/C=C/C(=O)N(C)Cc1cccc(OC)c1 72276846 DSQGMVFWIPGNNJ-WEVVVXLNSA-N 233.311 2.620 0 40 BFAB NC1(c2cc(Br)ccc2F)CC1 75934168 BMEIJHWNVVXHAV-UHFFFAOYSA-N 230.080 2.536 0 40 BFAB Cc1ccc(NC(=O)NOC2CCCC2)cc1 89265201 SPSKWOUNPSBIHL-UHFFFAOYSA-N 234.299 2.991 0 40 BFAB CCCCOc1cc(F)c(C=O)c(F)c1 91251993 VNPPSJNGJUIJDV-UHFFFAOYSA-N 214.211 2.956 0 40 BFAB NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1 96034459 FYASVCXSUUUHOW-UHFFFAOYSA-N 233.208 2.835 0 40 BFAB CCC[C@@H](NC(C)=O)c1nc2ccccc2[nH]1 96319364 RWTBUDNOSHXENO-GFCCVEGCSA-N 231.299 2.540 0 40 BFAB CCCNC(=O)CCc1ccc(C)c(C)c1 96621709 RADLDQBIIDRMEZ-UHFFFAOYSA-N 219.328 2.762 0 40 BFAB CCC[C@@H](C)Nc1ccn(CC(F)F)n1 97037890 VUTVPZHVVFQQRU-MRVPVSSYSA-N 217.263 2.749 0 40 BFAB O=C(c1ccccc1)[C@H]1Cc2ccccc2C1=O 100084076 MENNOJMRPYPXKI-CQSZACIVSA-N 236.270 2.925 0 40 BFAB CCOC(=O)CC1=Nc2ccccc2SC1 100405092 IOUCNRJGEKPBCN-UHFFFAOYSA-N 235.308 2.818 0 40 BFAB CC(=O)c1c[nH]c2ccc(C(C)C)cc2c1=O 163750030 TZLKKYVXXKQNRQ-UHFFFAOYSA-N 229.279 2.854 0 40 BFAB Cc1ccc(-n2nc(C)cc2C)c(O)c1 203347985 VQXHPRBERPTLQW-UHFFFAOYSA-N 202.257 2.503 0 40 BFAB CCCC[C@H]1C[C@@H](O)CN1CCC(C)C 217880967 NFJLULSBDNGYRL-QWHCGFSZSA-N 213.365 2.658 0 40 BFAB CC(C)C(=O)NCCSC1CCCCC1 222929675 WGMWYXTYHYNQCU-UHFFFAOYSA-N 229.389 2.825 0 40 BFAB COc1ncc(NC(=O)C2(C)CCCC2)cc1C 225881024 OVHRUEGQSUUCCI-UHFFFAOYSA-N 248.326 2.917 0 40 BFAB CCOC(=N)c1ccc(O)c(Br)c1 228918348 BQRKYJSCWZJUKP-UHFFFAOYSA-N 244.088 2.517 0 40 BFAB Cc1cc2c(Cl)nc(Cl)nc2n1C 238501290 QGQVAERZNQBYKF-UHFFFAOYSA-N 216.071 2.584 0 40 BFAB CN1[C@H]2CC[C@@H](Cc3ccccc3N)[C@H]1CC2 242495324 GATWFGOKFQFZFJ-KCQAQPDRSA-N 230.355 2.684 0 40 BFAB CCCn1ccc(CNCc2ccc(F)cc2)n1 256051416 JBXCQZSILFVPQS-UHFFFAOYSA-N 247.317 2.722 0 40 BFAB CC(=O)OCC(=O)c1cc(C)c(Cl)c(C)c1 382699435 NGBHIAZRLNCOMK-UHFFFAOYSA-N 240.686 2.703 0 40 BFAB CCn1cc(Cl)c(COCC(C)C)n1 408715344 KADAKDMAZHGKLG-UHFFFAOYSA-N 216.712 2.729 0 40 BFAB CCc1c(C2CC2)[nH]c2cc(OC)ccc2c1=O 685938784 XVIZWSSWFIBOPO-UHFFFAOYSA-N 243.306 2.977 0 40 BFAB C[C@@H]1O[C@H](c2ccccc2O)[C@@H](C)[C@@H](C)O1 238648 OSYQUVFLQIPNCW-WJZNIJOASA-N 222.284 2.851 0 40 BFAB C[C@H]1C(=O)C(C)(C)C(=O)O[C@@H]1c1ccccc1 247224 ALAYLHOMFJAZKV-KOLCDFICSA-N 232.279 2.516 0 40 BFAB CCOc1ccc2c(CC)cc(=O)oc2c1 407784 UCRINVLIKASQJD-UHFFFAOYSA-N 218.252 2.754 0 40 BFAB biogenic O=C1c2ccccc2[C@@H]2c3ccccc3CCN12 1744157 KLKBHFJXGPWPKK-HNNXBMFYSA-N 235.286 2.788 0 40 BFAB COc1ccccc1[C@H](N)c1ccccc1 3593781 CCRQPNMMWHLFBI-CQSZACIVSA-N 213.280 2.743 0 40 BFAB CCC(=O)O[C@H]1C[C@@H]2C[C@H]1[C@@H]1CC=C[C@H]21 4083572 BLBJUGKATXCWET-KNZXXDILSA-N 206.285 2.540 0 40 BFAB CN1CCCN=C1SCc1ccccc1 4545557 JXUMKVYEWSJEMP-UHFFFAOYSA-N 220.341 2.611 0 40 BFAB Cn1c(=N)sc2ccc3ccccc3c21 4559119 WMEUJJQLMPZYQB-UHFFFAOYSA-N 214.293 2.872 0 40 BFAB CC(C)/C(=C\C(=O)O)c1ccc(F)cc1 11628563 CDDBOBNKPAULGC-YRNVUSSQSA-N 208.232 2.950 0 40 BFAB O=C(OCCc1ccccc1)c1cccc(O)c1 12137880 PCFBUQIVFWSZBX-UHFFFAOYSA-N 242.274 2.792 0 40 BFAB O=C(CCc1ccccc1O)Nc1ccccc1 12867324 IQLBYXYIRNJHIM-UHFFFAOYSA-N 241.290 2.964 0 40 BFAB c1ccc(-c2cnc3cccnc3n2)cc1 13213566 WATGCYZSCSXVKY-UHFFFAOYSA-N 207.236 2.692 0 40 BFAB Cc1[nH]c(=S)[nH]c(=O)c1Oc1ccccc1 13477657 AVWWFBNCPYFQCD-UHFFFAOYSA-N 234.280 2.533 0 40 BFAB CCCC(=O)Nc1nnc(-c2ccco2)s1 17246432 ODFFBOFWIMRVHN-UHFFFAOYSA-N 237.284 2.537 0 40 BFAB C[C@@H]1CN2CCC[C@H]2CN1C[C@H]1CC=CCC1 19575046 PPTRKUGASCANCS-ILXRZTDVSA-N 234.387 2.511 0 40 BFAB CC(C)Sc1nnc2n(C)c3ccccc3n12 33373665 VUYJYIPCRGTWGK-UHFFFAOYSA-N 246.339 2.722 0 40 BFAB COC(=O)Cc1cc(Cl)ccc1Cl 34068657 VOIWSHPZFSPALW-UHFFFAOYSA-N 219.067 2.709 0 40 BFAB in-vitro CCc1ccc([C@@H](C)NC2CCN(C)CC2)cc1 37248806 YNZABZAEMIBGRX-CYBMUJFWSA-N 246.398 2.994 0 40 BFAB CC(C)CSCCC(=O)NC1CCCC1 40523666 COHVYRGMULUCQN-UHFFFAOYSA-N 229.389 2.825 0 40 BFAB CC(C)=CC(=O)N1CCC[C@H]1c1cc(C)on1 44634398 VWIFOSZQDZCKOJ-LBPRGKRZSA-N 234.299 2.613 0 40 BFAB Cc1ccc(C(=O)N2CCc3sccc3C2)o1 44894697 GLGIHVIDPHVRRT-UHFFFAOYSA-N 247.319 2.848 0 40 BFAB C[C@@H](CCN(C)C)Nc1ccnc2ccccc12 49558531 BUDYSZHUUJFKQT-LBPRGKRZSA-N 243.354 2.987 0 40 BFAB COc1ccccc1N(C)Cc1c(C)noc1C 52190336 INIAMLWISRJASJ-UHFFFAOYSA-N 246.310 2.936 0 40 BFAB Cc1cc(C)cc([C@@H](O)c2ccco2)c1 54445775 GUVQNDNOXWWUJA-CYBMUJFWSA-N 202.253 2.978 0 40 BFAB COC(=O)CCCCc1ccc(OC)cc1 59863316 HHKQJRYPUGNIQN-UHFFFAOYSA-N 222.284 2.581 0 40 BFAB Cc1nc2cc(NC(=O)NC(C)C)ccc2o1 74904126 DOEVQFSYEYDILX-UHFFFAOYSA-N 233.271 2.666 0 40 BFAB CNC(=O)N1C[C@H](C)C[C@@H]1c1cccc(F)c1 80597763 MPHUUXHBJIPKKJ-BXKDBHETSA-N 236.290 2.548 0 40 BFAB Cc1ccc(F)cc1CNc1ncccn1 83348945 FHYIDUMMTMXNIX-UHFFFAOYSA-N 217.247 2.536 0 40 BFAB CCN(CC)C(=O)N[C@@H]1CCCc2occc21 84770955 BEWNHHKZUAVCBY-LLVKDONJSA-N 236.315 2.708 0 40 BFAB CCCCNCC[C@@H]1CCCC[C@H]1OC 85396089 SCTXUOYWBFRWKD-QWHCGFSZSA-N 213.365 2.971 0 40 BFAB CCC(CC)CNC[C@H](O)c1ccsc1 95434034 APLNPOPAMOGWJJ-LBPRGKRZSA-N 227.373 2.807 0 40 BFAB FC(F)(F)c1csc(N2CCCC2)n1 98020325 CQJCFNYMINHYSH-UHFFFAOYSA-N 222.235 2.762 0 40 BFAB O=C(NCc1cccs1)[C@H]1C[C@H]2C=C[C@H]1C2 102261366 PZPNTCUPGZJLPE-NHCYSSNCSA-N 233.336 2.577 0 40 BFAB CCCn1cc(CNCc2cccc(F)c2)cn1 116912929 ZUCUOHDTGCYVEC-UHFFFAOYSA-N 247.317 2.722 0 40 BFAB CCc1ccc(CC(=O)N2CCCCC2)cc1 158021323 FBKOULFNNZRFRV-UHFFFAOYSA-N 231.339 2.804 0 40 BFAB CCN(c1c(C)cccc1C)[C@@H](C)C(=O)O 224983392 FVJATGFZMSQYSS-NSHDSACASA-N 221.300 2.603 0 40 BFAB COc1ccc(Br)c(C(F)F)n1 238430971 XGMSGJOZUBCQCE-UHFFFAOYSA-N 238.031 2.790 0 40 BFAB COc1c(Cl)cc(/C=C\C(N)=O)cc1Cl 361633769 JBJMTCVSZPPZAH-IHWYPQMZSA-N 246.093 2.501 0 40 BFAB COC(=O)CCCC(=O)c1cccc(F)c1C 575357624 PCOYWVIALWCORB-UHFFFAOYSA-N 238.258 2.660 0 40 BFAB O=C(O)C[C@H]1COc2c(Cl)cc(Cl)cc21 585656323 BGCFQVRQGAOJPI-YFKPBYRVSA-N 247.077 2.944 0 40 BFAB CC(C)CNC(=O)/C=C/c1ccc(F)cc1 253775 XQVSMGNYNHMBON-VMPITWQZSA-N 221.275 2.611 0 40 BFAB O=C(NCCc1cccs1)C1CCCCC1 1428295 CKMXPYRSXVJBJU-UHFFFAOYSA-N 237.368 2.987 0 40 BFAB CC1CCN(C2CCN(C(C)C)CC2)CC1 1458513 QPNKFBFNWAQTMO-UHFFFAOYSA-N 224.392 2.591 0 40 BFAB CCOCCOC(=O)c1ccccc1Cl 1586550 PSHOVYQUMYIOFI-UHFFFAOYSA-N 228.675 2.533 0 40 BFAB CC[C@@H](C(=O)NC(C)C)c1ccccc1 1628095 TUSGSZXRIZJZIW-GFCCVEGCSA-N 205.301 2.705 0 40 BFAB COc1ccc([C@]2(C)OCC[C@H](C)O2)cc1 1677999 SAAUIEUMQNCILJ-GXFFZTMASA-N 222.284 2.693 0 40 BFAB Cc1cc(C)cc(NC(C)(C)C(=O)O)c1 4244768 KGUDVOINBHJNIZ-UHFFFAOYSA-N 207.273 2.579 0 40 BFAB Cc1ccc(C(=O)NC(C)(C)C)cc1C 5546694 MDJIKUCDMQTTEX-UHFFFAOYSA-N 205.301 2.832 0 40 BFAB CCS(=O)(=O)/C=C/c1ccc2ccccc2n1 6208066 WCIZQXFQVGQLRN-MDZDMXLPSA-N 247.319 2.640 0 40 BFAB Cc1cc(C(=S)N2CCCCC2)c(C)n1C 8334176 IXSLLADVOZYAHH-UHFFFAOYSA-N 236.384 2.803 0 40 BFAB CC(=O)N[C@@H](CC(C)C)c1nc2ccccc2[nH]1 9115285 NAQTUSJOIRQDLC-ZDUSSCGKSA-N 245.326 2.786 0 40 BFAB CN(C(=O)Nc1cccnc1)C1CCCCC1 9221214 YCZBJCZXKJCYBJ-UHFFFAOYSA-N 233.315 2.878 0 40 BFAB CCc1cc(C(=O)NC2CC2)sc1C 12873249 JUVIWBARNAZONG-UHFFFAOYSA-N 209.314 2.511 0 40 BFAB Cc1nc([C@@H]2CCCCN2)cc(C(F)(F)F)n1 19686146 RBOYERHVYMZCET-QMMMGPOBSA-N 245.248 2.618 0 40 BFAB O=C(O)c1cn[nH]c1-c1ccc(F)c(Cl)c1 20439802 LRWMSVCCLRUPDR-UHFFFAOYSA-N 240.621 2.567 0 40 BFAB in-vitro Clc1ccnc2cc3c(cc12)OCO3 21987236 GRUBPJPDFFLKQE-UHFFFAOYSA-N 207.616 2.617 0 40 BFAB in-vitro COc1cccc(NC(=O)CC[C@@H]2CCCO2)c1 31872421 ZXJQEACQKIIIMX-LBPRGKRZSA-N 249.310 2.593 0 40 BFAB O=C(c1cccnc1)c1ccc(F)c(F)c1 36941597 RZEXCZJJQFDSMN-UHFFFAOYSA-N 219.190 2.591 0 40 BFAB in-vitro O=C(O)C(=O)c1ccc(Oc2ccccc2)cc1 37309341 PGZNZMXCYFYRSS-UHFFFAOYSA-N 242.230 2.746 0 40 BFAB in-vitro CC(C)Oc1cc(Br)ccc1CN 37475524 OTFUHTRFVBUGBZ-UHFFFAOYSA-N 244.132 2.695 0 40 BFAB CSc1nnc(-c2sc(C)nc2C)o1 40493624 NCYJEHUYAHAMCG-UHFFFAOYSA-N 227.314 2.532 0 40 BFAB COCC(=O)c1cc(Cl)cc(Cl)c1 43504778 ZRHPJNYKYGIVLO-UHFFFAOYSA-N 219.067 2.823 0 40 BFAB Cc1ccc(C(=O)c2cc(F)ccc2F)cn1 45029093 XFXGZDPYHPQTKX-UHFFFAOYSA-N 233.217 2.899 0 40 BFAB CC(C)CC(=O)Nc1cc(C(C)C)n[nH]1 49044541 QGDCWXLZMXIZRO-UHFFFAOYSA-N 209.293 2.518 0 40 BFAB CNCc1cc(-c2ccc(C(C)C)cc2)n[nH]1 50478989 ZXIIWPXNCFEQRZ-UHFFFAOYSA-N 229.327 2.920 0 40 BFAB Cc1cc(N2CCCCCC2)ccc1N 59233822 MWEQTUFZBZLFLP-UHFFFAOYSA-N 204.317 2.958 0 40 BFAB in-vitro Cc1ccc2c(c1)CCC21CCNCC1 71485284 MITXHJMDLKPPET-UHFFFAOYSA-N 201.313 2.562 0 40 BFAB Cc1nc(COC(=O)c2ccncc2)c(C)s1 91754051 HHVLZUOCYDQXPM-UHFFFAOYSA-N 248.307 2.512 0 40 BFAB CCCc1n[nH]c(S[C@@H](C)C(F)(F)F)n1 95427350 VIMLJEZHQAARMR-YFKPBYRVSA-N 239.266 2.800 0 40 BFAB CC(C)c1noc(N2C[C@H]3CC=CC[C@@H]3C2)n1 98013793 ZVTKARIFQGIXJP-GHMZBOCLSA-N 233.315 2.595 0 40 BFAB CC(=O)CC1=NC(C)(C)Cc2ccccc21 100518497 AHNUQRWUYILBFJ-UHFFFAOYSA-N 215.296 2.790 0 40 BFAB COc1c(F)ccc(Br)c1OC 144298412 XPGWYBFHCGAIRS-UHFFFAOYSA-N 235.052 2.605 0 40 BFAB COCCN[C@@H](C)c1cccc(OC(C)C)c1 179667361 ATRQLLBIDSEDMF-LBPRGKRZSA-N 237.343 2.771 0 40 BFAB Fc1ccccc1-c1nnc(-c2cnco2)o1 216605953 NDFCEQAKGXYJBN-UHFFFAOYSA-N 231.186 2.531 0 40 BFAB CC(=O)Nc1nc(C)c(Cl)cc1Cl 226864567 OLOLVTGRZRUGFY-UHFFFAOYSA-N 219.071 2.655 0 40 BFAB Cn1cc(Br)c2c(Cl)ccnc21 307499971 HMSABIHWTSDRJF-UHFFFAOYSA-N 245.507 2.989 0 40 BFAB C[C@H]1CCCC[C@H]1NC(=O)c1ccco1 141609 KOISEUVREFEOEJ-VHSXEESVSA-N 207.273 2.588 0 40 BFAB Cc1nc([C@@H]2CC(=O)OC23CCCC3)cs1 1438872 URIFHMYOGJXZQG-VIFPVBQESA-N 237.324 2.795 0 40 BFAB CN1CCCC[C@H]1[C@H](O)c1ccc(Cl)cc1 1683252 MTLXGAVDIYSMKB-QWHCGFSZSA-N 239.746 2.858 0 40 BFAB CC[C@H](Sc1ncnc2ccccc12)C(=O)O 1797237 SXHQGWDCCOYODE-JTQLQIEISA-N 248.307 2.585 0 40 BFAB CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)O 2555581 YIDWVTSSFOIVPL-JTQLQIEISA-N 228.675 2.828 0 40 BFAB in-vitro COc1ccc(NC(=O)NC2CCCC2)cc1 3070603 WPIXJVKWHJUMDA-UHFFFAOYSA-N 234.299 2.759 0 40 BFAB COc1ccc(NCCc2ccccn2)cc1 4231705 NXRQNMNZSKSLEE-UHFFFAOYSA-N 228.295 2.745 0 40 BFAB CCNc1ncnc2sc3c(c12)CCC3 4552566 XQZUPOJZKZUNJO-UHFFFAOYSA-N 219.313 2.612 0 40 BFAB COc1ccc(CNC(=O)c2ccoc2C)cc1 6254729 PVSMYJSMVXOEIM-UHFFFAOYSA-N 245.278 2.527 0 40 BFAB CCCCNC(=O)[C@H](C)Oc1ccc(C)cc1C 8478029 LUONYKQJXDGSHQ-ZDUSSCGKSA-N 249.354 2.987 0 40 BFAB CCCC[C@@]1(C)NC(=O)N(c2ccccc2)N1 8812983 ZNHGAAACBKRWMI-ZDUSSCGKSA-N 233.315 2.627 0 40 BFAB CC(C)c1ccc(OC2CCNCC2)cc1 14631937 KXXKDDKNUOVVGM-UHFFFAOYSA-N 219.328 2.941 0 40 BFAB in-vitro N[C@H](c1cccc(F)c1)c1cccs1 19842089 CRDOIKVWLSKCIE-LLVKDONJSA-N 207.273 2.935 0 40 BFAB Cc1nnc2ccc(NC3CCCCCC3)nn12 20732761 JKRDBOUGPDWBKU-UHFFFAOYSA-N 245.330 2.567 0 40 BFAB Cc1c(Cl)cc(C(N)=O)cc1Br 26508406 ZNYNJRWIAKKLIP-UHFFFAOYSA-N 248.507 2.510 0 40 BFAB C[C@@H]1CCCCN1C(=O)c1ccsc1 32731259 PQQLYHSVKNOYDP-SECBINFHSA-N 209.314 2.763 0 40 BFAB O=C(C[C@@H]1C=CCC1)NCCc1ccccc1F 32739420 FAVBNXJMUFXOFM-GFCCVEGCSA-N 247.313 2.841 0 40 BFAB CN(C(=O)C1CCCC1)c1ccccc1 33019584 ZWDWLTXBPOKWNI-UHFFFAOYSA-N 203.285 2.840 0 40 BFAB CSCC(=O)c1ccc(Cl)cc1 34285096 UBAWNJNGYAHXFA-UHFFFAOYSA-N 200.690 2.886 0 40 BFAB CC(C)(Cc1ccccc1)NC(=O)C1CC1 40620954 WVVWQYXYIFFDOH-UHFFFAOYSA-N 217.312 2.534 0 40 BFAB Cc1cc(Cl)cnc1NC(=O)c1ccncc1 41107526 MVEPBJBJIHEHHS-UHFFFAOYSA-N 247.685 2.691 0 40 BFAB C[C@@H]1CCCCN1c1cncc(Cl)n1 42783551 RONDOTOMBIFVEX-MRVPVSSYSA-N 211.696 2.509 0 40 BFAB COc1cccc(C(=O)c2cc(F)ccc2F)n1 45028755 LGKKCFHCUISDKP-UHFFFAOYSA-N 249.216 2.599 0 40 BFAB O=C(Cc1cccnc1)c1ccc(F)cc1 53130225 DNOLYZHTKURJIV-UHFFFAOYSA-N 215.227 2.646 0 40 BFAB CCCN(CCC)C(=O)c1ccc(C)n1C 53365799 COKVVNWTLNHAQF-UHFFFAOYSA-N 222.332 2.596 0 40 BFAB CC(C)[C@@H](C)NC(=O)[C@H](C)Oc1ccccc1 57159843 DJEUIBMGUBBVSY-NEPJUHHUSA-N 235.327 2.615 0 40 BFAB CCC(=O)N[C@H](c1ccc(OC)cc1)C(C)C 58247992 RDLDCXRUHLGFAD-AWEZNQCLSA-N 235.327 2.919 0 40 BFAB C[C@@H]1CCCCN1C[C@H](O)c1ccc(F)cc1 58304645 JLGVWZSFGRLYAO-RISCZKNCSA-N 237.318 2.734 0 40 BFAB Cc1cc(N2CCCC[C@H]2C)ccc1N 59233855 TZGRJKIRIAWBQL-LLVKDONJSA-N 204.317 2.956 0 40 BFAB in-vitro FC(F)(F)[C@@]1(c2ccccc2)CCCN1 60280101 SFSYMZXWRKWMMD-JTQLQIEISA-N 215.218 2.828 0 40 BFAB in-vitro CCOC(=O)Cc1c[nH]c2cc(Cl)ccc12 69587738 QVXRCEUJFSTZEL-UHFFFAOYSA-N 237.686 2.927 0 40 BFAB Cc1noc(COc2ccc(F)c(Cl)c2)n1 70007573 YHAYLMCHONJRKE-UHFFFAOYSA-N 242.637 2.750 0 40 BFAB CC[C@H](CC1CC1)NC(=O)c1ccnc(F)c1 70103013 QLADUPFBGAHTKH-LLVKDONJSA-N 236.290 2.529 0 40 BFAB CC1(C)C/C(=C\C(=O)O)c2cccnc2C1 72207407 DZSNGAOBZCALPY-RMKNXTFCSA-N 217.268 2.522 0 40 BFAB CCN(C)c1ccc(C2=NCCCC2)cn1 72212727 TXGQMGMNYKGAAM-UHFFFAOYSA-N 217.316 2.511 0 40 BFAB CC(C)CCNCc1ccn(C(C)C)n1 82866355 JXAYYXNCJPTUSU-UHFFFAOYSA-N 209.337 2.600 0 40 BFAB Cc1cn[nH]c1-c1ccc(O)c(Cl)c1 85393654 TVTKUPPBRJAQBC-UHFFFAOYSA-N 208.648 2.744 0 40 BFAB C1=CC[C@H]2CN(c3nc(C4CC4)ns3)C[C@H]2C1 89598200 XLIZNSJDJQDVLO-PHIMTYICSA-N 247.367 2.818 0 40 BFAB COc1ccc2nc(CC(C)=O)cc(C)c2c1 95096705 STOUZNAIWHWKFE-UHFFFAOYSA-N 229.279 2.683 0 40 BFAB CC(C)(C(=O)O)c1ccc(OC(F)(F)F)cc1 96300520 FOPARMLTSFOAEO-UHFFFAOYSA-N 248.200 2.947 0 40 BFAB in-vitro C[C@H]1CC[C@@H]1COc1ccc(C=O)cc1 96526407 YAYZWVXAUIEBFM-CMPLNLGQSA-N 204.269 2.924 0 40 BFAB CC(C)Nc1cc(N)ccc1Br 159495784 XCDZUARMDLCBQE-UHFFFAOYSA-N 229.121 2.852 0 40 BFAB O=c1[nH][nH]c2nc(-c3ccc(Cl)cc3)ccc12 226818737 WOLLNYYTKFOZOI-UHFFFAOYSA-N 245.669 2.572 0 40 BFAB C[C@H](c1ccccc1)c1nc([C@H]2CCOC2)no1 252492333 MJDFWWJHCZLUGT-PWSUYJOCSA-N 244.294 2.725 0 40 BFAB Cc1ccccc1NC(=O)NCc1cnoc1C 575604635 BBBFWDMGZVYJTL-UHFFFAOYSA-N 245.282 2.613 0 40 BFAB CSc1c(C(=O)O)ccc(C)c1F 584880772 INKBXSZQGWPXMZ-UHFFFAOYSA-N 200.234 2.554 0 40 BFAB O=C1CCC12CCN(Cc1ccccc1)CC2 606302287 BCBSNDXLLXXCBU-UHFFFAOYSA-N 229.323 2.632 0 40 BFAB Cc1sc2ncnc(N3CCCC3)c2c1C 349915 GTUTXHNWWQOPCQ-UHFFFAOYSA-N 233.340 2.908 0 40 BFAB Clc1ccc(Nc2ccccn2)nc1 500788 KYDWUAXLUIWGPY-UHFFFAOYSA-N 205.648 2.874 0 40 BFAB CC(C)c1nnc(NC(=O)C(C)(C)C)s1 1506276 PIDHDEXYYMHMLA-UHFFFAOYSA-N 227.333 2.646 0 40 BFAB CCCCCC(=O)n1c(=O)oc2ccccc21 2270653 NOBIILKREWPKGY-UHFFFAOYSA-N 233.267 2.815 0 40 BFAB CC1CCN(c2ncnc3sccc23)CC1 2886784 LARHSXAPRRVZBC-UHFFFAOYSA-N 233.340 2.928 0 40 BFAB CCc1ccc(/C=C\C(=O)N2CCCC2)cc1 4646401 XJXGZGGEDOXYCR-KTKRTIGZSA-N 229.323 2.885 0 40 BFAB O=C(O)CCOc1ccc(Cl)c(Cl)c1 5045916 HIJYXPCTXDQKGU-UHFFFAOYSA-N 235.066 2.847 0 40 BFAB C[C@@]1(Br)Cc2ccccc2C1=O 5045988 RECHMHWGWSZYCV-SNVBAGLBSA-N 225.085 2.579 0 40 BFAB CSc1ccc(C(=O)NC(C)C)cc1 12919167 HKSJKBJXHSUPHG-UHFFFAOYSA-N 209.314 2.547 0 40 BFAB C[C@](O)(Cc1ccccn1)c1ccccc1 13218344 RBTMHDWJTMPJCU-AWEZNQCLSA-N 213.280 2.532 0 40 BFAB O=C(O)CCc1ccccc1OC(F)(F)F 16158667 HPWALWHGHCTMBT-UHFFFAOYSA-N 234.173 2.602 0 40 BFAB COc1ccccc1CSc1nccn1C 16382649 HEBWQYMIZUHBPV-UHFFFAOYSA-N 234.324 2.721 0 40 BFAB Cc1ccc(NC(=O)CNC2CCCCC2)cc1 16578052 WVPGFELVCRQNJG-UHFFFAOYSA-N 246.354 2.856 0 40 BFAB O=C(Nc1nc2ccccc2[nH]1)c1ccsc1 17304143 LMRUDXQVXMSURI-UHFFFAOYSA-N 243.291 2.877 0 40 BFAB COc1ccc([C@@H](N)C(F)(F)F)c(C)c1 19972193 FMWJMMCPRYGRIU-SECBINFHSA-N 219.206 2.566 0 40 BFAB NC(=S)Nc1cc(-c2ccccc2)ccc1O 20154629 KAWQMKAYHIRNMO-UHFFFAOYSA-N 244.319 2.715 0 40 BFAB COc1ccc2oc(C(C)=O)c(C)c2c1 26513625 HZHJVKJXTREWKL-UHFFFAOYSA-N 204.225 2.952 0 40 BFAB in-vitro C[C@@H](NC(=O)NC1CC1)c1cccc(Cl)c1 26518586 LELKLSHGRGHYHE-MRVPVSSYSA-N 238.718 2.863 0 40 BFAB C[C@H](N(C)C(=O)c1ccoc1)C(C)(C)C 32788213 HPSBRUGMTNLNNS-VIFPVBQESA-N 209.289 2.786 0 40 BFAB O=C(Nc1ccccn1)c1ccc(F)c(F)c1 32902570 ODYILJHIRFSKSN-UHFFFAOYSA-N 234.205 2.612 0 40 BFAB Cc1n[nH]c(C)c1CNCC1CCCCC1 36864842 UJAKMBAAOIWZOB-UHFFFAOYSA-N 221.348 2.696 0 40 BFAB CC[C@H](N)c1nc(C(F)(F)F)cs1 41059274 GOHBNIVEIOVCMD-BYPYZUCNSA-N 210.224 2.572 0 40 BFAB in-vitro Clc1ccc(O[C@@H]2CCNC2)c2ncccc12 42775739 PFLGXTMORSKNJV-SECBINFHSA-N 248.713 2.629 0 40 BFAB CCOc1cccc(Br)c1C(=O)O 42784260 MLJFJVNWHCWVPH-UHFFFAOYSA-N 245.072 2.546 0 40 BFAB Cc1c(C(=O)O)c(Cl)nc2ccccc12 44226793 SRVUMNXHIVGNGA-UHFFFAOYSA-N 221.643 2.895 0 40 BFAB Clc1nc(Cl)nc(NC2CCCC2)n1 61053112 PYDHLMXXIISJAV-UHFFFAOYSA-N 233.102 2.533 0 40 BFAB CC(=O)c1n[nH]c2cc(Br)ccc12 71614186 LNAHWKUKPHEFST-UHFFFAOYSA-N 239.072 2.528 0 40 BFAB in-vitro Cc1ncsc1CN1CCC[C@H]1c1ccn[nH]1 72366173 APSBXYRCFLYWTQ-NSHDSACASA-N 248.355 2.512 0 40 BFAB CNc1cc([C@@H]2CCN2C2CCCC2)nc(C)n1 72387443 VKENRTIGPVBAEE-ZDUSSCGKSA-N 246.358 2.516 0 40 BFAB CCCn1cc(CNCc2cc(C)oc2C)cn1 85395814 IVXKACOJRUSZAA-UHFFFAOYSA-N 247.342 2.793 0 40 BFAB Cc1cccc(CNc2ccnn2C)c1C 89686457 SOKHNSXMPKKCSU-UHFFFAOYSA-N 215.300 2.649 0 40 BFAB Clc1cc2c(cn1)cnn2[C@H]1CCCCO1 91302231 OUIMHYFRCMWCEA-LLVKDONJSA-N 237.690 2.784 0 40 BFAB C[C@H](O)c1ccc(OC(F)(F)F)c(F)c1 95740129 DSYXSWQQAWPYHN-YFKPBYRVSA-N 224.153 2.778 0 40 BFAB O=Cc1c[nH]c2cc(Br)c(F)cc12 96035860 ZRQFVFKFBJOOOD-UHFFFAOYSA-N 242.047 2.882 0 40 BFAB COc1ccccc1CN1CCCSCC1 97113636 OJZYVGIIBGQTDX-UHFFFAOYSA-N 237.368 2.634 0 40 BFAB Cc1ccc(CN(C)[C@@H](C)c2cccnc2)nc1 97113715 LWAQGPOLFQCEEX-ZDUSSCGKSA-N 241.338 2.978 0 40 BFAB CC(C)[C@H](NC[C@H](C)O)c1ccc(F)c(F)c1 181906397 HWMBPMPBBYBYGA-ZANVPECISA-N 243.297 2.632 0 40 BFAB Cc1cc(COc2cnn(C)c2)c(C)s1 193525111 IMHVIFFHDHIWCX-UHFFFAOYSA-N 222.313 2.677 0 40 BFAB Cc1cnc([C@@H]2CCCN(C3CCCC3)C2)[nH]1 205689333 LZJCEDGRJONAJR-GFCCVEGCSA-N 233.359 2.840 0 40 BFAB CCOc1ccccc1N[C@H]1CCCC[C@@H]1N 218862180 ICGJAWFCWRXMLP-RYUDHWBXSA-N 234.343 2.767 0 40 BFAB N[C@@H]1CCCC[C@H]1Nc1ccc(F)cc1F 218866763 UQCAMMUECKXEKP-ZYHUDNBSSA-N 226.270 2.647 0 40 BFAB Cc1cc(O)c2c(Cl)nc(Cl)cc2n1 252509618 YSFPNTDBKDQMOU-UHFFFAOYSA-N 229.066 2.951 0 40 BFAB CCn1[nH]c(=N)cc1COc1ccc(C)cc1C 408715875 GCNUYVPWZZLYMF-UHFFFAOYSA-N 245.326 2.511 0 40 BFAB Cc1ccc(NCn2nnc3ccccc32)cc1 41412 YDEQVYCDMYHIPS-UHFFFAOYSA-N 238.294 2.809 0 40 BFAB CC(C)[C@H]1CO[C@]2(c3ccccc3)CCC(=O)N12 154907 USVVTHSUMLVZJC-HIFRSBDPSA-N 245.322 2.517 0 40 BFAB biogenic Cc1ccc([C@H]2NCC[C@@]3(O)CCCC[C@@H]23)cc1 287891 YQDZCQUVNRHELP-XHSDSOJGSA-N 245.366 2.951 0 40 BFAB CCCCOC(=O)C(Cl)(Cl)Cl 1675723 SECVZLDDYUWJAC-UHFFFAOYSA-N 219.495 2.700 0 40 BFAB C1=CN2C[C@@H](c3cccs3)N=C2S1 6093619 RFOLEEQBNNSICL-ZETCQYMHSA-N 208.311 2.679 0 40 BFAB in-man Cc1ccc(CC(=O)N2CCCCC2)cc1 6478885 SSSJEUBUHZKSLL-UHFFFAOYSA-N 217.312 2.550 0 40 BFAB Cc1ccc([C@@H]2CNC(=S)S2)cc1 6487720 GIXAEOZXVGMIGF-VIFPVBQESA-N 209.339 2.657 0 40 BFAB Cc1ccnc(NC(=O)CC2CCCC2)c1 8723389 WMACTFZICMCGTC-UHFFFAOYSA-N 218.300 2.909 0 40 BFAB COc1ccc(C(C)(C)C[C@H](C)N)cc1 11631350 RJQAOYMXVHHSTK-JTQLQIEISA-N 207.317 2.710 0 40 BFAB COc1ccc(OC(F)(F)F)cc1[C@H](C)O 15442991 DKUPMKWSJITPFC-LURJTMIESA-N 236.189 2.647 0 40 BFAB O=c1[nH]c(=S)[nH]c2c3c(sc12)CCCC3 20100272 WBBNRLLOIKYIMC-UHFFFAOYSA-N 238.337 2.526 0 40 BFAB C[C@H](NCc1ccco1)c1cccc(O)c1 22146861 VMKVAYZSGHHBDJ-JTQLQIEISA-N 217.268 2.836 0 40 BFAB NC[C@H](c1cccs1)N1CCc2ccccc21 22212349 ITVVYNAWWVVXJJ-CYBMUJFWSA-N 244.363 2.811 0 40 BFAB Fc1cccc(F)c1CC1CCNCC1 34522677 LXCOJJJRSUQFRJ-UHFFFAOYSA-N 211.255 2.507 0 40 BFAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)c1ccccc1 34584407 YXZISSQOFIZLNX-SNVBAGLBSA-N 249.310 2.783 0 40 BFAB Clc1ccccc1CC1CCNCC1 36155485 FFPMAJARBVPCGS-UHFFFAOYSA-N 209.720 2.882 0 40 BFAB in-vitro COc1ccc(-c2cnc(C=O)s2)cc1 45206037 IFOYRFBHIAVGOJ-UHFFFAOYSA-N 219.265 2.631 0 40 BFAB CO[C@@H](CN)c1cc(Cl)ccc1Cl 62711376 VPQNVHKFOVSKLV-VIFPVBQESA-N 220.099 2.640 0 40 BFAB NCCCCc1ccccc1Br 70651747 ZEMFGXSUQGOBRH-UHFFFAOYSA-N 228.133 2.731 0 40 BFAB O=C(NO[C@H]1CCCCO1)C1CCCCCC1 72078111 BBQAOVIRDBKQFY-LBPRGKRZSA-N 241.331 2.531 0 40 BFAB C[C@@H](N)c1ccn(Cc2ccccc2)c1 78405782 HHBACYOERHRLRZ-LLVKDONJSA-N 200.285 2.556 0 40 BFAB Cc1cccc(NC(=O)Cc2ccc(O)cc2)c1 82265551 QQDJSARZTISSBG-UHFFFAOYSA-N 241.290 2.882 0 40 BFAB CC1(C)CNCc2c(Br)cccc21 91368632 NNAZVIVENNJMRU-UHFFFAOYSA-N 240.144 2.830 0 40 BFAB CCOC(=O)[C@H]1C[C@@H]1c1cccc(C)c1 91692166 UEFUJMMDLGDXLQ-NEPJUHHUSA-N 204.269 2.662 0 40 BFAB CCSCCOc1cccc([C@@H](C)O)c1 96496139 MDURUSCBDFSOFS-SNVBAGLBSA-N 226.341 2.872 0 40 BFAB FC(F)(F)Oc1cccc(Br)n1 97463398 XFMZIKXSFFBKBZ-UHFFFAOYSA-N 241.994 2.743 0 40 BFAB CC(=O)Nc1cc(Cl)ccc1NC1CC1 98016171 SEKHUWTVFSHTMC-UHFFFAOYSA-N 224.691 2.873 0 40 BFAB Cc1cc(N)ccc1Oc1ccncc1 98209864 BEYGONQIOREWBK-UHFFFAOYSA-N 200.241 2.765 0 40 BFAB in-vitro C[C@H](Cc1cc2ccccc2o1)NC(=O)C1CC1 253471868 GGQZSIIIBDZHCJ-SNVBAGLBSA-N 243.306 2.890 0 40 BFAB CC(C)CN1CCCC[C@H]1c1ccn[nH]1 257253637 JZRLVPUYMVIHSV-LBPRGKRZSA-N 207.321 2.593 0 40 BFAB CCN(c1c(C)cc(C)cc1C)[C@H](C)C(=O)O 260679544 RARYLBYGYBANHG-GFCCVEGCSA-N 235.327 2.911 0 40 BFAB O=Cc1c(F)ccc(OC(F)(F)F)c1F 1083811089 VRBDZRLCCHMUMZ-UHFFFAOYSA-N 226.100 2.676 0 40 BFAB COc1cccc(C(=O)NCc2ccccc2)c1 290311 GIDKNTONPHNFRB-UHFFFAOYSA-N 241.290 2.625 0 40 BFAB Cc1ccc(NC(=S)NC(=O)C2CC2)c(C)c1 358904 UTZAWSMGYKBBRQ-UHFFFAOYSA-N 248.351 2.526 0 40 BFAB CN(C)[C@H]1CCc2ccc3ccccc3c2C1=O 1569690 MXWZALYVSNMPDC-AWEZNQCLSA-N 239.318 2.899 0 40 BFAB Nc1nc(-c2ccccc2)nc(-c2ccccc2)n1 1718514 HWLRYMYJGAGIME-UHFFFAOYSA-N 248.289 2.788 0 40 BFAB NNc1nc2c(Cl)c(Cl)ccc2s1 2455663 RHSWSCIFRBRYRR-UHFFFAOYSA-N 234.111 2.889 0 40 BFAB aggregator O=C(Nc1ccc(O)cc1)c1cccs1 3886973 XBRSNMYZHZKDSW-UHFFFAOYSA-N 219.265 2.706 0 40 BFAB in-vitro Nc1cc(-c2ccc(F)cc2)sc1C(=O)O 9189771 GBOBZKIXDFDVRH-UHFFFAOYSA-N 237.255 2.835 0 40 BFAB COc1cccc(Oc2ccc(CN)cc2)c1 11961783 RILNXAAPUFLNRJ-UHFFFAOYSA-N 229.279 2.946 0 40 BFAB CC(C)=CC[C@@H](O)[C@@]1(C)[C@@H]2CC[C@@H](C2)[C@@]1(C)O 14690753 VORYVMSYLVEJBA-XLWJZTARSA-N 238.371 2.891 0 40 BFAB biogenic,in-vitro CCOP(=O)(OCC)Oc1ccncc1 15894699 YUUGMWAPUUTURY-UHFFFAOYSA-N 231.188 2.642 0 40 BFAB CCCC[C@H](N)c1nc2ccccc2[nH]1 17043752 UJHPABYZJRSRMS-VIFPVBQESA-N 203.289 2.753 0 40 BFAB O=C1[C@H]2C[C@@H](C(=O)[C@H]3CC[C@@H]1C3)c1ccccc12 39259100 YRSJNRIOPYFJRB-DHPDLVEQSA-N 240.302 2.826 0 40 BFAB CCc1ccc(CNC(=O)c2cccnc2)s1 40108987 KOTUUUNLESKWNV-UHFFFAOYSA-N 246.335 2.636 0 40 BFAB CC1CCN([C@@](C)(C(=O)O)c2ccccc2)CC1 41840565 CCDWQWZKWSZEFI-OAHLLOKOSA-N 247.338 2.718 0 40 BFAB C[C@@H](O)CCc1ccc(Br)cc1 43656762 QUYKPVOFFUPFDD-MRVPVSSYSA-N 229.117 2.763 0 40 BFAB Brc1ccnc(C2CCC2)n1 44117046 BSTCMYXYDPBVOO-UHFFFAOYSA-N 213.078 2.507 0 40 BFAB CC(C)[C@H](C)N(C)Cc1nnc(-c2ccco2)o1 44917969 OUPOPPYQEAPLFW-JTQLQIEISA-N 249.314 2.806 0 40 BFAB O=C(Nc1cc(-c2cccs2)n[nH]1)C1CCC1 48751055 HBKPSMFTKSIUOC-UHFFFAOYSA-N 247.323 2.877 0 40 BFAB O=c1oc(-c2cccs2)nn1[C@H]1C=CCCC1 58428229 WKQNQLXAGRGYQU-VIFPVBQESA-N 248.307 2.846 0 40 BFAB c1ccc(-c2ccnc(N3CCCCC3)n2)nc1 71286356 XOHLZHFCPNMUME-UHFFFAOYSA-N 240.310 2.529 0 40 BFAB Nc1nc2cc(-c3ccccc3)cc(N)c2o1 73642822 CCCKOCCCCOSGFE-UHFFFAOYSA-N 225.251 2.659 0 40 BFAB CN[C@@H]1CCc2[nH]c3c(Cl)cccc3c2C1 83723572 AORZXDMPSZAVQH-MRVPVSSYSA-N 234.730 2.898 0 40 BFAB O=Cc1nc(C(F)(F)F)ccc1Cl 95761411 SARHUZHQSTUDAM-UHFFFAOYSA-N 209.554 2.566 0 40 BFAB Cc1ccc(/C=C/c2nc([C@@H]3CCOC3)no2)o1 96462770 GSBMOVKEWLMDIG-ORAHPGNNSA-N 246.266 2.645 0 40 BFAB CCCCc1ccc(N(C)[C@H](C)C(=O)O)cc1 141491888 RYFHVXLDAIKPNB-LLVKDONJSA-N 235.327 2.939 0 40 BFAB CCCCC[C@H](C)N[C@@H]1CCCC[C@H]1O 186786175 DBCDDGLDBZLTNI-YNEHKIRRSA-N 213.365 2.848 0 40 BFAB Brc1ccc(CC2COC2)cc1 201750750 WVZLZDXONAYMMC-UHFFFAOYSA-N 227.101 2.638 0 40 BFAB CCSc1nc(Cl)c(C=O)c(Cl)n1 224970202 WCWMLFUDKPBOJM-UHFFFAOYSA-N 237.111 2.708 0 40 BFAB Cc1nc(-c2noc([C@@H]3C[C@H]4C=C[C@H]3C4)n2)co1 333858492 PGHJXVFDEXYHDL-LPEHRKFASA-N 243.266 2.713 0 40 BFAB Cc1nnc(SCC[C@H](C)F)s1 336634746 NKVHYXCRYMIXJA-YFKPBYRVSA-N 206.311 2.687 0 40 BFAB CCOCc1nn(C(C)C)cc1Br 408715339 AXBQJNDKWYMSCF-UHFFFAOYSA-N 247.136 2.763 0 40 BFAB CCOc1c(OC)ccc(Br)c1F 1565504633 WBCOOXOSQBYOQT-UHFFFAOYSA-N 249.079 2.996 0 40 BFAB O=C(Nc1cccnc1)OC1CCCC1 67871 WDNPBNYZABVWBS-UHFFFAOYSA-N 206.245 2.573 0 40 BFAB CCOC(=O)c1c(C)n(C)c2ccccc12 142383 RQRUAENQOVZHNW-UHFFFAOYSA-N 217.268 2.663 0 40 BFAB biogenic CC(C)NC(=O)COc1ccc2ccccc2c1 564233 RJYSURPHUSSZAI-UHFFFAOYSA-N 243.306 2.743 0 40 BFAB COC(=O)c1nccc2c1[nH]c1ccccc12 1095283 FRNCTTUBAHKEBZ-UHFFFAOYSA-N 226.235 2.503 0 40 BFAB biogenic CC(C)N[C@H]1CCC[C@@H]2c3ccccc3[C@]12O 1585394 BBVGKEUPIYFHFC-QLFBSQMISA-N 231.339 2.522 0 40 BFAB CSc1cc(SC)nc(SC)n1 1676000 YZDQXWUZCHOKFG-UHFFFAOYSA-N 218.372 2.642 0 40 BFAB Cc1ccccc1C(=O)CCCCC(=O)O 2378635 SBYKYOKRTBCYTI-UHFFFAOYSA-N 220.268 2.823 0 40 BFAB O=C(C[C@@H]1CCC[C@H]1C(=O)O)c1ccccc1 2574448 FUYQQVMUACOFNJ-NWDGAFQWSA-N 232.279 2.760 0 40 BFAB CC(=O)C(Cc1c(F)cccc1Cl)C(C)=O 4024076 FTRLVIOOYBLOFY-UHFFFAOYSA-N 242.677 2.816 0 40 BFAB CCOC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 4294272 IOCZOWQBIFFHPM-VIFPVBQESA-N 242.702 2.979 0 40 BFAB c1ccc(C2=NNc3nc4ccccc4n3C2)cc1 4729458 CQUDGRPLVSTLBX-UHFFFAOYSA-N 248.289 2.866 0 40 BFAB Cc1c(C=O)ccc(N2CCCC2)c1C 4973733 RVRPZWHGMAXUAB-UHFFFAOYSA-N 203.285 2.716 0 40 BFAB Cc1ccsc1C(=O)NCc1ccccc1 6337439 QQZNXSGHJXHCTL-UHFFFAOYSA-N 231.320 2.987 0 40 BFAB O=C(OCCc1ccccc1)c1ccc(O)cc1 8722915 PVOSMOVHDHSYCE-UHFFFAOYSA-N 242.274 2.792 0 40 BFAB O=C(O)c1cccc2ccc(C(F)(F)F)nc12 16159946 BOMGNNBFJRPTER-UHFFFAOYSA-N 241.168 2.952 0 40 BFAB Cc1nc(NC(=O)c2cccc(N)c2)sc1C 20193271 MQKCITJGCXSCFW-UHFFFAOYSA-N 247.323 2.594 0 40 BFAB C[C@@H](NC(=O)c1ccccc1O)c1cccs1 25314046 SHOXWVNNNBKLPW-SECBINFHSA-N 247.319 2.945 0 40 BFAB O=C1CCN2CCc3c(oc4ccccc34)[C@H]2C1 33979160 ZRDWYECCNDBGMN-CYBMUJFWSA-N 241.290 2.695 0 40 BFAB Fc1ccccc1-n1ncc2c(Cl)ncnc21 36928356 GYEMWSMYVIWILO-UHFFFAOYSA-N 248.648 2.608 0 40 BFAB O=C(c1ccc(F)cc1)c1ccc2c(c1)OCO2 37354564 KDESXURKDJAFFY-UHFFFAOYSA-N 244.221 2.785 0 40 BFAB O=C(C[C@H]1C=CCC1)NCCc1ccccc1 39978427 UILYKNRQLDDCAP-AWEZNQCLSA-N 229.323 2.702 0 40 BFAB CCc1sc(C(=O)NC(C)C)cc1C 40161724 IUCNXNJKCVYOGG-UHFFFAOYSA-N 211.330 2.757 0 40 BFAB Nc1ccn(Cc2ccc(C(F)(F)F)cc2)n1 43512021 LQAIOMIPTUPSLP-UHFFFAOYSA-N 241.216 2.532 0 40 BFAB CC(C)(C)c1cnc(Br)cn1 44117611 OMDHMSITSVLZRA-UHFFFAOYSA-N 215.094 2.537 0 40 BFAB Cc1nc(-c2ccccc2)[nH]c(=S)c1CCO 45918634 HXRDBKCSSZOHMN-UHFFFAOYSA-N 246.335 2.649 0 40 BFAB COc1ccccc1-c1cnc(Cl)nc1 49818040 SRKXHHJHLQPWMT-UHFFFAOYSA-N 220.659 2.806 0 40 BFAB Cc1nc(C)c(C(=O)NCCC(C)C)s1 58870872 JZSHLIDOHNAANS-UHFFFAOYSA-N 226.345 2.536 0 40 BFAB OC[C@@H]1C[C@@H]1c1ccccc1Br 62720234 ZPRZKFTVHGLWGC-CBAPKCEASA-N 227.101 2.545 0 40 BFAB C[C@@H](Oc1cc2occc2cc1Cl)C(=O)O 72219761 NAJMCRRTFKEUNW-ZCFIWIBFSA-N 240.642 2.938 0 40 BFAB Cc1cc(OCc2ccccc2)ncc1C=O 72223411 KRDOLVHXOAJSIQ-UHFFFAOYSA-N 227.263 2.782 0 40 BFAB C=Cc1cnc(I)cc1C 72225994 GUZRQHVCORFIOY-UHFFFAOYSA-N 245.063 2.638 0 40 BFAB CCN1CCNc2cc(Br)ccc21 76926912 MHHIUEXHDSMVEG-UHFFFAOYSA-N 241.132 2.701 0 40 BFAB NC(=O)c1ccc(Oc2ccc(F)cc2F)cc1 78994399 OTBQJDFMMFDBTC-UHFFFAOYSA-N 249.216 2.856 0 40 BFAB CSc1nc(C(F)(F)F)ccc1C(=O)O 84193006 XXGZRIMINAUIQA-UHFFFAOYSA-N 237.202 2.521 0 40 BFAB C[C@@H]1CC(NCCSCC2CC2)C[C@@H](C)O1 97231111 LBRNZFCEZNTQAG-GHMZBOCLSA-N 243.416 2.675 0 40 BFAB C[C@@H](Cc1ccoc1)NC(=O)c1ccccc1F 206661125 YAWXYCSMSHUIGJ-JTQLQIEISA-N 247.269 2.780 0 40 BFAB Cc1ncnc(N(C)Cc2ccccc2)c1C 881734924 XPALMTIPVPEGOO-UHFFFAOYSA-N 227.311 2.730 0 40 BFAB CCC(=O)Oc1ccc2c(c1)nc(C)n2CC 318002 REKTZBFFXIJXHC-UHFFFAOYSA-N 232.283 2.680 0 40 BFAB CN(C)Cc1ccccc1CC1(O)CCCC1 1713503 RYPSBFVYGXWHFL-UHFFFAOYSA-N 233.355 2.596 0 40 BFAB O=C(O)COc1ccc(Oc2ccccc2)cc1 3252551 NUTWPVOGVQFHTI-UHFFFAOYSA-N 244.246 2.942 0 40 BFAB CC1(C)COCN1C(=O)c1ccc(Cl)cc1 4108415 WHCLWNFYRNVSMP-UHFFFAOYSA-N 239.702 2.549 0 40 BFAB Cc1ccc(O)c(NC(=O)Cc2ccccc2)c1 4616493 IHFJPJBAKJKSBU-UHFFFAOYSA-N 241.290 2.882 0 40 BFAB CCN(CC)C[C@@H](C)C(=O)c1ccccc1 6382395 NASHLIIGQWPYGG-GFCCVEGCSA-N 219.328 2.847 0 40 BFAB O=C(Cc1ccc(F)cc1)NC(C1CC1)C1CC1 12849416 UQQIJSOANQKZHU-UHFFFAOYSA-N 247.313 2.673 0 40 BFAB CC(C)=C[C@H]1[C@H](C(=O)NC2CC2)C1(C)C 12905701 PADZZLZDZKMHPI-WDEREUQCSA-N 207.317 2.503 0 40 BFAB Cc1cc(C=O)c(C)n1Nc1ccccc1 13633521 VPFZOZLSHWZLQP-UHFFFAOYSA-N 214.268 2.793 0 40 BFAB COc1ccc(/C=C/[C@]2(C)OC[C@@H](C)O2)cc1 17301268 KMRIAENCHGJSFE-LXVYHGRKSA-N 234.295 2.860 0 40 BFAB Cc1cccc(CS(=O)(=O)c2ccccc2)c1 19821796 OXCFAVVOCLAODI-UHFFFAOYSA-N 246.331 2.969 0 40 BFAB CCCCCNC(=O)COc1ccc(F)cc1 19935068 OHMFEZDSDGHDTN-UHFFFAOYSA-N 239.290 2.511 0 40 BFAB O=C(O)c1cccc(Cc2ccccc2)c1O 20593690 YUVVASYGZFERRP-UHFFFAOYSA-N 228.247 2.681 0 40 BFAB Fc1ccc(-c2nnc(-c3cccnc3)o2)cc1 20736595 XNBCQOBRJPQETE-UHFFFAOYSA-N 241.225 2.938 0 40 BFAB O=C(O)/C=C\c1ccc(F)cc1Cl 33362836 RJCWBTRMWGOREZ-RQOWECAXSA-N 200.596 2.577 0 40 BFAB Cc1cccc(OCc2cccc(C(N)=O)c2)c1 40087068 FZXGCWDZAJTKFI-UHFFFAOYSA-N 241.290 2.673 0 40 BFAB CCOc1ccc(/C=C/C(=O)O)cc1Cl 44422311 WRWYHXIOUNYNHK-GQCTYLIASA-N 226.659 2.837 0 40 BFAB Cc1cccnc1C(=O)c1ccc(F)c(F)c1 45028692 CTPCBPFEIIUEJP-UHFFFAOYSA-N 233.217 2.899 0 40 BFAB CC(C)Sc1nc(Cc2cccs2)n[nH]1 58393510 UMPAAGAMDYYOEF-UHFFFAOYSA-N 239.369 2.958 0 40 BFAB NCCc1ccc(-c2ccc(F)cc2)o1 70453092 KHRNXLWMNKCJSW-UHFFFAOYSA-N 205.232 2.587 0 40 BFAB CCN1CCC[C@H]1c1cnc(S)c(C)c1 72218252 MBIFUZJZQMGQPY-NSHDSACASA-N 222.357 2.836 0 40 BFAB Cc1noc(C2CCN(c3ccccc3)CC2)n1 72356909 KTEXSEGQTZGUIT-UHFFFAOYSA-N 243.310 2.762 0 40 BFAB CCOC(=O)CC(=O)c1ccc2c(c1)CCCC2 76818880 SUEYWMPWBZLHGX-UHFFFAOYSA-N 246.306 2.701 0 40 BFAB O=c1[nH]c(-c2ccoc2)nc2ccc(Cl)cc12 89807113 CAULZMUAHNYKNQ-UHFFFAOYSA-N 246.653 2.837 0 40 BFAB CCC[C@@H](N)CN1CC=C(c2ccccc2)CC1 96523972 ZGDXHEKYFKBIJK-MRXNPFEDSA-N 244.382 2.903 0 40 BFAB CO[C@H](C)[C@H](C)NC[C@H](C)c1ccccc1 132090818 MXKYFMSRBKHODR-RWMBFGLXSA-N 221.344 2.803 0 40 BFAB CCCN1CCC[C@H]1CCCNC(C)C 218327968 VAVKBIJHUZSZFZ-CYBMUJFWSA-N 212.381 2.639 0 40 BFAB CCN(c1ccccc1Cl)[C@@H](C)C(=O)O 224987628 NFLQILVQLNBNSR-QMMMGPOBSA-N 227.691 2.639 0 40 BFAB Cc1ccc(OC(=O)Cc2cccc(N)c2)cc1 225396655 OFCANUWTKHYGHB-UHFFFAOYSA-N 241.290 2.725 0 40 BFAB CCOc1ccc(NC(=O)C2(C)CCCC2)cn1 225880739 TXGXJTDGXIDLNT-UHFFFAOYSA-N 248.326 2.999 0 40 BFAB FC[C@@H]1CCCN(c2cc(C3CC3)ncn2)C1 882804085 RGGDLVFLYVSTIC-JTQLQIEISA-N 235.306 2.540 0 40 BFAB Nc1ccccc1C=C(C(=O)O)c1ccccc1 2027016339 XCTOVUZGSGGMPY-UHFFFAOYSA-N 239.274 2.894 0 40 BFAB Cc1cc(C)c(C(=O)NC[C@H]2CCCO2)c(C)c1 29091 JLXUHPWYSWGUMW-CYBMUJFWSA-N 247.338 2.521 0 40 BFAB Oc1c(Cl)cc(Cl)c2nsnc12 258316 ITPQKYPWKPSMNI-UHFFFAOYSA-N 221.068 2.704 0 40 BFAB Cc1ccnc(NC(=O)CCc2ccccc2)c1 383464 LRURKIJHDFIDFF-UHFFFAOYSA-N 240.306 2.961 0 40 BFAB CC[C@H](C)c1ccc(NS(=O)(=O)CC)cc1 482781 OOWBFBYEOFBUCX-JTQLQIEISA-N 241.356 2.962 0 40 BFAB COc1ccccc1[C@@H](N)c1ccccc1 1626225 CCRQPNMMWHLFBI-AWEZNQCLSA-N 213.280 2.743 0 40 BFAB CCCC[C@H](CC)COCCC(=O)O 1665920 YDFFAJUOABOCFU-JTQLQIEISA-N 202.294 2.694 0 40 BFAB CC(C)CC(=O)N[C@@H](C)c1ccccc1 3180088 WNIGNAWVTKGRLJ-NSHDSACASA-N 205.301 2.910 0 40 BFAB Cc1[nH]c2ccccc2c1[C@H](O)c1ccncc1 3953516 YIFMJHZIASZRQG-OAHLLOKOSA-N 238.290 2.953 0 40 BFAB O=C(Nc1cccc(O)c1)c1cccnc1Cl 8051345 DFWIXHNFAMMPBY-UHFFFAOYSA-N 248.669 2.693 0 40 BFAB CCCCNC(=O)CSc1ccccc1 8156230 RGLKVTROGVNRBI-UHFFFAOYSA-N 223.341 2.695 0 40 BFAB O=C(Nc1nccs1)c1ccc2c(c1)CCC2 9450354 GSPMEVKXNDSZRL-UHFFFAOYSA-N 244.319 2.884 0 40 BFAB Cc1ccc(-n2c(C)cc(=O)cc2C)cc1 10274590 JCLWEWFKPMCRRT-UHFFFAOYSA-N 213.280 2.763 0 40 BFAB Cc1cccc(C(=O)N[C@H](C)c2ccccn2)c1 12539145 IIVWARPLGXNSML-GFCCVEGCSA-N 240.306 2.881 0 40 BFAB Cc1cc(NN)c2cccc(C(F)(F)F)c2n1 14807677 LKTGVCXKNSHIAV-UHFFFAOYSA-N 241.216 2.848 0 40 BFAB C[C@H](NC(=O)C[C@@H]1C=CCC1)c1ccncc1 27406082 IHNZUSOBQPPTOA-NWDGAFQWSA-N 230.311 2.615 0 40 BFAB CC[C@H](C)C(=O)Nc1ccc(C)cc1O 32895949 ZUAMBHVVGITIDJ-VIFPVBQESA-N 207.273 2.685 0 40 BFAB CCSCC(=O)c1ccc(OC)cc1 37652408 HTYVBAYXSKZNOC-UHFFFAOYSA-N 210.298 2.631 0 40 BFAB CSC1CCN(C(=O)OC(C)(C)C)CC1 38540869 RBSTYDJFVDTJPH-UHFFFAOYSA-N 231.361 2.749 0 40 BFAB COCc1ccccc1NC(=O)NCC(C)C 40527943 XHSDOEMTOCPFSA-UHFFFAOYSA-N 236.315 2.611 0 40 BFAB CNCc1ccc(SC(F)F)cc1 47843800 DFDHFCHGLJJFGH-UHFFFAOYSA-N 203.257 2.721 0 40 BFAB CC(C)(CN)Cc1ccc(Br)cc1 49804182 CVQMNSWPZJUWKL-UHFFFAOYSA-N 242.160 2.977 0 40 BFAB C[C@H]1c2cccn2CCN1CCc1ccncc1 66864484 DZIWRHFJYFRZMS-ZDUSSCGKSA-N 241.338 2.502 0 40 BFAB CC(C)CCNc1nccc(C(F)(F)F)n1 70225568 CJKDFLYPBKKWQO-UHFFFAOYSA-N 233.237 2.953 0 40 BFAB CCOc1ccc(C(=O)O)cc1C(F)(F)F 70953369 KWEQYUCUGSDCHR-UHFFFAOYSA-N 234.173 2.802 0 40 BFAB in-vitro CC[C@H](N)c1ccc(NC(C)C)nc1C 72224053 CNMWPJBXRQGCHF-NSHDSACASA-N 207.321 2.620 0 40 BFAB Cc1ccccc1C(=O)NCC[C@@H](O)C(C)(C)C 77108928 JJTMZIZLJFDOFQ-CYBMUJFWSA-N 249.354 2.522 0 40 BFAB CCOCC(F)(F)[C@H](F)C(F)(F)F 78095176 KSLKXGGKQGTHDI-BYPYZUCNSA-N 210.117 2.559 0 40 BFAB Cc1ccc2nc(Cl)c(CN)cc2c1 89261645 MCACDQTUEHLLHM-UHFFFAOYSA-N 206.676 2.655 0 40 BFAB CCc1nc2n(n1)CCC[C@@H]2NC1CCCCC1 89295918 SCFRUVUBDCNBQV-LBPRGKRZSA-N 248.374 2.598 0 40 BFAB C[C@@H]1CSC(SCc2ccccn2)=N1 89522305 SUVBIVUDUBPQJP-MRVPVSSYSA-N 224.354 2.806 0 40 BFAB C1=C(c2nc(-c3ccsc3)no2)CCCO1 95394384 ANALZFJOFNASHG-UHFFFAOYSA-N 234.280 2.949 0 40 BFAB CC(=O)NCC1(Cc2ccccc2)CCC1 95411389 JHYIVJQVLRUWRM-UHFFFAOYSA-N 217.312 2.536 0 40 BFAB O=C(O)[C@H]1CC=CC[C@H]1C(=O)c1ccc(F)cc1 95634410 UPKLGMBIFDIGBT-NEPJUHHUSA-N 248.253 2.675 0 40 BFAB CC(C)Oc1cc(Br)ccc1O 95710677 BXOYQPKNGGAODC-UHFFFAOYSA-N 231.089 2.942 0 40 BFAB in-vitro Fc1ccc(Cn2ccc(Cl)n2)cc1 95941886 UVEOINDRBQRNAR-UHFFFAOYSA-N 210.639 2.724 0 40 BFAB CC(C)c1ccc(OC2(CO)CC2)cc1 96511797 VNHASDNCDHRVEL-UHFFFAOYSA-N 206.285 2.714 0 40 BFAB CC(=O)c1c(C)cccc1NC(=O)CC1CC1 97166071 FCTSTMDZWKOSOS-UHFFFAOYSA-N 231.295 2.936 0 40 BFAB CCc1ccc(CN(C)Cc2cccnc2)o1 97375259 KHANVPCXRQEWDD-UHFFFAOYSA-N 230.311 2.869 0 40 BFAB CCOC(=O)/C=C1\CCc2ccccc21 97758962 KRGWQDMTJGWQFM-PKNBQFBNSA-N 202.253 2.579 0 40 BFAB in-vitro O=C1CN=Nc2ccc(Br)cc21 100045580 DQPXKBQYQBCJBF-UHFFFAOYSA-N 225.045 2.729 0 40 BFAB Cc1ccnc(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)c1 102062528 QJUPMGBJQLVNIJ-SDDRHHMPSA-N 230.311 2.765 0 40 BFAB C[C@@H](O)C[C@@H](C)CNC[C@@H]1CCC[C@@H](C)C1 195547946 UFEFJKVUUPTTKU-AAVRWANBSA-N 227.392 2.809 0 40 BFAB COc1cc(F)cc(C(=O)C(F)(F)Cl)c1 307222753 RBUDWRMCHWZVGU-UHFFFAOYSA-N 238.592 2.849 0 40 BFAB COc1ccc2[nH]c(C(C)C)c(C)c(=O)c2c1 685938528 MYMOEZBFWWUGFB-UHFFFAOYSA-N 231.295 2.969 0 40 BFAB CSc1nc(C)cc(N2C[C@@H]3CCC[C@H]3C2)n1 1889073847 AQWKBWWOYAKBSX-QWRGUYRKSA-N 249.383 2.743 0 40 BFAB O=C(c1ccccn1)c1ccc2ccccc2n1 162753 NCTFUSHEDTZFOU-UHFFFAOYSA-N 234.258 2.861 0 40 BFAB COc1cccc(NC(=O)Cc2cccs2)c1 272352 ZDEHGLDCSPBSES-UHFFFAOYSA-N 247.319 2.938 0 40 BFAB Cc1cc(C)cc(N2CC(C)(C)C2=O)c1 1387676 JQHTWZITHBVUKB-UHFFFAOYSA-N 203.285 2.676 0 40 BFAB CCN[C@@H]1C[C@H](C(C)(C)NCC)CC=C1C 1635146 KGDIPINWNMVFFO-CHWSQXEVSA-N 224.392 2.709 0 40 BFAB Clc1ccc(CCNc2ncccn2)cc1 3330969 RAQWPKUGMCVXBD-UHFFFAOYSA-N 233.702 2.785 0 40 BFAB C[C@@H](Sc1ccc2ccccc2c1)C(N)=O 3382519 OPQCJVDYMZUBMC-SECBINFHSA-N 231.320 2.806 0 40 BFAB Oc1ccc2nc(Cc3ccccc3)[nH]c2c1 4102564 IBUGFPGBFUVOCW-UHFFFAOYSA-N 224.263 2.859 0 40 BFAB CC(C)c1nc2[nH]nc(N)c2c2c1CCCC2 4102598 FSLXKIINKXADSW-UHFFFAOYSA-N 230.315 2.542 0 40 BFAB Nc1ccc(-c2cnc(C3CC3)o2)cc1 12526561 YUTWYOJPIUVEKL-UHFFFAOYSA-N 200.241 2.801 0 40 BFAB in-vitro C[C@@H](C1CC1)N(C)c1ncnc2sccc12 12552870 FDQLCOORJAVABE-QMMMGPOBSA-N 233.340 2.926 0 40 BFAB CCCNC(=O)c1nc(-c2ccccc2)oc1C 13015596 MAHLYRUWJFIJAU-UHFFFAOYSA-N 244.294 2.790 0 40 BFAB NCC1(c2cccc(F)c2)CCCCC1 15014781 FVUNYNAPGFKYRV-UHFFFAOYSA-N 207.292 2.986 0 40 BFAB in-vitro C[C@H]1C[C@@H]1C(=O)N[C@H](C)CCc1ccccc1 16971382 ODKGPKDUWUIWBK-SCRDCRAPSA-N 231.339 2.780 0 40 BFAB CC[C@@H](NCCOC)c1ccc(F)cc1 19881481 NRMPIKMOFWYKBJ-GFCCVEGCSA-N 211.280 2.513 0 40 BFAB Fc1cc(F)cc(CCC2CCNCC2)c1 20135897 KNZSMIUWZWEDSG-UHFFFAOYSA-N 225.282 2.897 0 40 BFAB in-vitro CC[C@H](NCCCOC)c1ccccc1 20142297 HBAMCTHYBBJPPU-ZDUSSCGKSA-N 207.317 2.764 0 40 BFAB O=C(c1cccc(O)c1)N1CCCCCCC1 20266271 GKMMPLQOKQZGPL-UHFFFAOYSA-N 233.311 2.799 0 40 BFAB C[C@H](CNc1ccnn1C)c1ccccc1 20351641 HDVGWIAGFIEOHR-LLVKDONJSA-N 215.300 2.636 0 40 BFAB CCCC(=O)Nc1ccccc1N1CCCC1=O 21709073 KVTHNKQLJDHNCO-UHFFFAOYSA-N 246.310 2.552 0 40 BFAB CN(C)c1ccnc2cc(Cl)ccc12 21989502 CNGZPOQQPLFGFN-UHFFFAOYSA-N 206.676 2.954 0 40 BFAB biogenic Cc1cnc(NC(=O)c2ccsc2)s1 22423202 OGDRYESQIHDBTJ-UHFFFAOYSA-N 224.310 2.765 0 40 BFAB COC(=O)c1c(Cl)c2ccccc2n1C 32254110 MIRJVHZPEDVNFZ-UHFFFAOYSA-N 223.659 2.618 0 40 BFAB O=C(C1CCC1)N1CCC[C@@H]1c1ccncc1 32902264 VTAWQMRTXSVVKF-CYBMUJFWSA-N 230.311 2.545 0 40 BFAB CCOC(=O)c1cc2cc(F)ccc2o1 34619474 RBQUPHUYCPBKSF-UHFFFAOYSA-N 208.188 2.749 0 40 BFAB in-vitro COc1cccc2[nH]cc(C(=O)C(F)(F)F)c12 35323032 MOGTWVVVLKSCIN-UHFFFAOYSA-N 243.184 2.922 0 40 BFAB CCOc1ccc(C(=O)c2ccc(N)cc2)cc1 36138809 RZSVJESSJAGPTI-UHFFFAOYSA-N 241.290 2.899 0 40 BFAB CC(C)c1ccc(S(N)(=O)=O)c(C(C)C)c1 36666990 HEOGBTPXOGGBMC-UHFFFAOYSA-N 241.356 2.581 0 40 BFAB CC(C)(C)c1n[nH]c(N)c1-c1ccccc1 36935504 GUCJDZFYHJASPU-UHFFFAOYSA-N 215.300 2.956 0 40 BFAB Fc1cc(Br)cc2c1NCC2 37116750 MJEHMLBMHVDGEB-UHFFFAOYSA-N 216.053 2.556 0 40 BFAB in-vitro CCOc1ccc([C@@H](CN)N2CCCCC2)cc1 38638665 VFCNFXMZNXFOPY-OAHLLOKOSA-N 248.370 2.571 0 40 BFAB Cc1cc(O)c(C=O)c(C)c1Br 40175360 ORASDZXTDQUBJD-UHFFFAOYSA-N 229.073 2.584 0 40 BFAB CCn1c(CCCO)nc2cc(Cl)ccc21 40417189 AHYAFGYPWIFMOJ-UHFFFAOYSA-N 238.718 2.635 0 40 BFAB Cc1cc(CN(Cc2ccco2)C2CC2)on1 45004983 VMLUNTIEGRKODL-UHFFFAOYSA-N 232.283 2.741 0 40 BFAB C[C@H]1CN(CCCc2ccccc2)[C@H](C)CO1 45785817 MNZNLVJHYGLODP-KGLIPLIRSA-N 233.355 2.728 0 40 BFAB CNC(=O)N(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 47969578 CJVZIXUSVMOZNF-SKDRFNHKSA-N 248.326 2.707 0 40 BFAB CNC[C@H]1C[C@H]1c1ccc(OC(F)F)cc1 54588645 KDJYSCGVNIVTDG-KOLCDFICSA-N 227.254 2.611 0 40 BFAB CC(C)(N)[C@@H](O)c1cccc2ccccc12 62710124 BXMMGWQUBFURPT-ZDUSSCGKSA-N 215.296 2.611 0 40 BFAB Cc1ccc(-c2cccc(C(=O)O)c2)cn1 62948293 MUICUVKGSWOGCC-UHFFFAOYSA-N 213.236 2.755 0 40 BFAB CC[C@H](C)NC(=O)N[C@@H](C)c1cccc(O)c1 65513366 AGLJOFDWVLHCPV-UWVGGRQHSA-N 236.315 2.551 0 40 BFAB CCCCNC(=O)Cc1cccc(Cl)c1 67787081 OFJSPLLAIQBOAB-UHFFFAOYSA-N 225.719 2.799 0 40 BFAB Cc1cc(OCC(F)(F)F)c(C(=O)O)s1 69976696 NELMCVVFHKWEKW-UHFFFAOYSA-N 240.202 2.696 0 40 BFAB Cc1nnc([C@@H](C)Oc2ccccc2F)o1 71849900 YDYOLBCZUHTOQZ-SSDOTTSWSA-N 222.219 2.657 0 40 BFAB CCCNc1ccc([C@@H]2CCCCN2C=O)cn1 72213226 FIRJXAWJXQYRIJ-ZDUSSCGKSA-N 247.342 2.587 0 40 BFAB c1cc(CN2CCC[C@@H]3CCC[C@@H]32)ccn1 75769472 KCPTVEHSTGSNPH-KBPBESRZSA-N 216.328 2.846 0 40 BFAB CC(=O)Nc1cc(C2CCCCCC2)[nH]n1 78798097 GNWHAUUKKWBJOA-UHFFFAOYSA-N 221.304 2.806 0 40 BFAB CCOC(=O)/C=C/c1ccc(CC)s1 84818076 RDKRJTUBLACVHC-BQYQJAHWSA-N 210.298 2.887 0 40 BFAB Cc1nc(C)c(COc2ccccc2CO)s1 89129244 PYJYLRXSKAJUTN-UHFFFAOYSA-N 249.335 2.831 0 40 BFAB C[C@@H](N[C@H](CO)CC(C)(C)C)c1ccco1 90589717 OVAQNMWILPNUDC-MNOVXSKESA-N 225.332 2.727 0 40 BFAB COC(=O)c1cc(-c2ccc(F)cc2)ccn1 91696076 QGIVYJIOIXHZDB-UHFFFAOYSA-N 231.226 2.674 0 40 BFAB Cc1ccc(CN2CCC[C@](C)(CO)C2)s1 93340664 XCKKKDSFWVVZPF-ZDUSSCGKSA-N 239.384 2.651 0 40 BFAB Cc1cc(C(=O)N2C[C@H]3CCC[C@@H]3C2)oc1C 95425848 IGEQTJKMPXMEPG-VXGBXAGGSA-N 233.311 2.769 0 40 BFAB CCc1ccccc1-c1nc(CO)cs1 95635193 JNTUVPMWGSQTJI-UHFFFAOYSA-N 219.309 2.865 0 40 BFAB in-vitro CC1CCN(C[C@H]2Cc3ccccc3N2)CC1 96524023 VIAXGZXBENTROY-CQSZACIVSA-N 230.355 2.755 0 40 BFAB CC(=O)C(Cc1ccccc1Cl)C(C)=O 104049886 KRCHDZMYDFENHP-UHFFFAOYSA-N 224.687 2.677 0 40 BFAB CCCn1cc(NCc2ccccc2)cn1 124868412 GRFMSDHEZMJKFM-UHFFFAOYSA-N 215.300 2.905 0 40 BFAB CC(C)N1CCCN(C[C@@H]2CC=CCC2)CC1 195547837 JZGGYQNZPLAOIH-OAHLLOKOSA-N 236.403 2.759 0 40 BFAB O=Cc1ccc(-c2cccc3c2OCCO3)o1 217570553 CRJZQPIGQWMJSY-UHFFFAOYSA-N 230.219 2.530 0 40 BFAB Fc1ccc(CNc2cnc3[nH]ncc3c2)cc1 1560607829 ALUJKAWUKUQHBT-UHFFFAOYSA-N 242.257 2.709 0 40 BFAB O=C1C[C@H](c2ccccc2)CN1CC1CCC1 1888866467 OOLKFSKYCIGKTA-AWEZNQCLSA-N 229.323 2.803 0 40 BFAB O=C(Nc1ccc(F)cn1)Nc1cccs1 1888944483 OOKLHFGUYQWNHH-UHFFFAOYSA-N 237.259 2.926 0 40 BFAB Cc1ccc([C@@]2(C)OCC[C@@H](C)O2)cc1 1678002 BYGJZFXGXMYVFD-YPMHNXCESA-N 206.285 2.993 0 40 BFAB OCCSc1ccc2ccccc2c1 1736422 JXYIEIBYPJBHPF-UHFFFAOYSA-N 204.294 2.924 0 40 BFAB CNC(=S)Nc1ccc(OC)c2ccccc12 5498608 RLLMLSPAIJAIPD-UHFFFAOYSA-N 246.335 2.765 0 40 BFAB COC(=O)c1cccc(N)c1-c1ccccc1 5738273 OTQJSEQYCUPCLM-UHFFFAOYSA-N 227.263 2.722 0 40 BFAB CCCCCNc1ccccc1C(=O)O 8703075 OTSQJSTZHBDLRW-UHFFFAOYSA-N 207.273 2.987 0 40 BFAB O=c1[nH]c(/C=C/c2ccco2)nc2ccccc12 13570080 FTAMMLQOOPFMCF-BQYQJAHWSA-N 238.246 2.687 0 40 BFAB CCn1cc(NCc2cc(F)cc(F)c2)cn1 20350423 XWPWBMJBOUKMSK-UHFFFAOYSA-N 237.253 2.793 0 40 BFAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NC 20493870 MCJBUOCGUKYQNW-CQSZACIVSA-N 243.306 2.743 0 40 BFAB Cc1ccc2nc([C@@H](N)c3ccccc3)[nH]c2c1 22261820 RJYUWHVMBJHXHN-AWEZNQCLSA-N 237.306 2.919 0 40 BFAB in-vitro C[C@H](NC(=O)c1ccccn1)c1ccccc1F 26680652 OBKZAEVYJVWRRR-JTQLQIEISA-N 244.269 2.712 0 40 BFAB COc1cccc(C2(N(C)C)CCC(=O)CC2)c1 27433349 DIFSATBFVKGPKV-UHFFFAOYSA-N 247.338 2.595 0 40 BFAB C[C@H](N)COCc1ccc(Cl)cc1Cl 28521572 BPGVZGDEHOGTEV-ZETCQYMHSA-N 234.126 2.857 0 40 BFAB CC1CCN(c2ccc(NC(N)=S)cc2)CC1 31935635 IUQNKCUCQLOKJP-UHFFFAOYSA-N 249.383 2.578 0 40 BFAB COc1ccnc(Nc2cccc(SC)c2)n1 32907667 IJNZHCUAXODXJH-UHFFFAOYSA-N 247.323 2.951 0 40 BFAB O=[N+]([O-])/C=C\c1cccc(C(F)(F)F)c1 33284643 GOKALPUCIXWJLV-PLNGDYQASA-N 217.146 2.953 0 40 BFAB OCc1cncc(-c2ccc(Cl)cc2)c1 35630038 ZNIWYVUMTWNLTO-UHFFFAOYSA-N 219.671 2.894 0 40 BFAB CCC(CC)(CN)c1ccc(OC)c(OC)c1 37934515 GIRYECYVTHFPAR-UHFFFAOYSA-N 237.343 2.720 0 40 BFAB in-vitro CC(C)(C)NC(=O)CCOc1cccc(F)c1 40069512 OOMKVEANQICCGQ-UHFFFAOYSA-N 239.290 2.509 0 40 BFAB O=C(O)c1cnc2oc(C3CCCCC3)nc2c1 40449311 MBSDOZXXRYSMRY-UHFFFAOYSA-N 246.266 2.969 0 40 BFAB COCc1cccc(NC(=O)CC(F)(F)F)c1 40500936 AZJWBAJNKXVXNH-UHFFFAOYSA-N 247.216 2.724 0 40 BFAB CC[C@@H]1CCCN(C(=O)c2scnc2C)C1 40533996 DRMUIABKIVEVQX-SNVBAGLBSA-N 238.356 2.714 0 40 BFAB CCC[C@H](C)Nc1ccc(C(=O)OC)cc1N 41080143 BGRXRAOJCMCZIV-VIFPVBQESA-N 236.315 2.656 0 40 BFAB CCc1cc(OC[C@@H]2CCNC2)ccc1Cl 42771498 YPWDLSDMHQNNQI-SNVBAGLBSA-N 239.746 2.891 0 40 BFAB Fc1ccc(SC[C@@H]2CCCNC2)cc1 43471597 WEGMYYAVTHEZJB-SNVBAGLBSA-N 225.332 2.917 0 40 BFAB CCOC(=O)c1cnc2ccc(CC)cc2c1N 47913008 ISTCOANWTFQKMB-UHFFFAOYSA-N 244.294 2.556 0 40 BFAB CCCCC(=O)N[C@H]1C[C@H]1c1cccc(F)c1 67092252 MEKBJIIOPYRKCD-STQMWFEESA-N 235.302 2.988 0 40 BFAB CCc1noc(COc2ccc(Cl)cc2)n1 69460441 WXHYOWFZGFPFGC-UHFFFAOYSA-N 238.674 2.864 0 40 BFAB CC(C)NC(=O)/C=C/c1ccnc2ccccc12 71910517 DJMPOINKLAQHDF-BQYQJAHWSA-N 240.306 2.773 0 40 BFAB CC(=O)N1CCCC[C@H]1c1ccc(Cl)nc1 72211478 PKYQGSWXBYEAEY-NSHDSACASA-N 238.718 2.809 0 40 BFAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCS1 82337156 PMOZJGGKZVTQIS-GWCFXTLKSA-N 247.363 2.860 0 40 BFAB O=C(O)c1cc2ccccc2n1CC1CC1 82687450 RYMNGKMARFHRAS-UHFFFAOYSA-N 215.252 2.750 0 40 BFAB in-vitro CC1(C)NCCn2cc(-c3ccc(F)cc3)nc21 84557399 GZVLWGZMELYUPG-UHFFFAOYSA-N 245.301 2.528 0 40 BFAB CC(C)c1cc(N(C)Cc2cccnc2)[nH]n1 95432180 ANYDVQFIRGSLLI-UHFFFAOYSA-N 230.315 2.565 0 40 BFAB Cc1ccc2ccc(Br)nc2n1 95532019 INKMNSPEIMOGPE-UHFFFAOYSA-N 223.073 2.701 0 40 BFAB in-vitro CC[C@@H](COC)NCc1ccc(C)cc1OC 95969308 ATIRXYADWVHOLE-ZDUSSCGKSA-N 237.343 2.518 0 40 BFAB Cc1ccc(-c2ccccc2C(N)=O)s1 96190349 FAKIICFNBOQOOH-UHFFFAOYSA-N 217.293 2.822 0 40 BFAB CCOc1c(C(=O)O)oc2c(C)cccc12 96510816 KPTATNIXDYOMJT-UHFFFAOYSA-N 220.224 2.838 0 40 BFAB CC[C@H](NN)c1cc(C(F)(F)F)ccc1F 161801011 FIWLBFQOJVLIFS-VIFPVBQESA-N 236.212 2.759 0 40 BFAB O=C(O)c1c[nH]c2c(Cl)cc(F)cc12 259508553 PXZVGLNLOIVTBK-UHFFFAOYSA-N 213.595 2.659 0 40 BFAB c1ccc2oc(O[C@@H]3CCSC3)nc2c1 585654620 KBHFCSWOKNRCML-MRVPVSSYSA-N 221.281 2.712 0 40 BFAB CN1CCCC[C@@H]2[C@H]1CCN2C1CCCCC1 2037834625 WFQKGXWHMWAROO-HUUCEWRRSA-N 236.403 2.878 0 40 BFAB Cn1c(-c2ccc(Cl)c(Cl)c2)cnc1N 873776 NVUQJXLKVZRBFC-UHFFFAOYSA-N 242.109 2.976 0 40 BFAB CCN(CC)C[C@H](O)c1ccc(Cl)cc1 1672299 SCDVMBDRHVNOKM-LBPRGKRZSA-N 227.735 2.715 0 40 BFAB O=C1O[C@H](Cc2ccccc2)[C@@H]1c1ccccc1 1681776 FJKYJODNGSADFL-CABCVRRESA-N 238.286 2.938 0 40 BFAB CCOC(=O)Sc1nc2ccccc2[nH]1 1706848 AQZIYDSYWZXJOB-UHFFFAOYSA-N 222.269 2.812 0 40 BFAB CC[C@@H](Sc1ncnc2ccccc12)C(=O)O 1797238 SXHQGWDCCOYODE-SNVBAGLBSA-N 248.307 2.585 0 40 BFAB CC(C)NCc1ccc2c(c1)C[C@H](C)O2 4343242 ZYQHJTRXXJWSTN-JTQLQIEISA-N 205.301 2.508 0 40 BFAB CC(C)NC(=O)COc1ccccc1C(C)(C)C 5381091 WXXCVCILWAFGPK-UHFFFAOYSA-N 249.354 2.888 0 40 BFAB Cc1ccc(OCC[C@H]2CCCCN2)cc1 14632338 QCRBVIOHXDYQFW-CYBMUJFWSA-N 219.328 2.906 0 40 BFAB CC(C)c1ccc(CNCCN2CCCC2)cc1 20126792 FALFMIMJTHISKA-UHFFFAOYSA-N 246.398 2.995 0 40 BFAB Cc1ccc(C(=O)Nc2cccc(F)c2)cc1N 20195024 OWWIDVRYWZYCTD-UHFFFAOYSA-N 244.269 2.969 0 40 BFAB CC1CCN(C(=O)C[C@@H]2C=CCC2)CC1 32747786 FBZBUHRDXGOXNO-GFCCVEGCSA-N 207.317 2.601 0 40 BFAB C[C@@H](CSc1ccc(F)cc1)C(=O)O 35756614 IVJVOKXHGHSVSE-ZETCQYMHSA-N 214.261 2.639 0 40 BFAB COc1ccccc1CCNC(=O)CC(C)(C)C 36392819 FXOIDAPHABZGHC-UHFFFAOYSA-N 249.354 2.790 0 40 BFAB Clc1ncccc1NCc1ccncc1 36982661 KEFQTIQTNZXIHM-UHFFFAOYSA-N 219.675 2.742 0 40 BFAB Cc1ccccc1[C@](C)(C(=O)O)N1CCCCC1 37361852 MSSOCMLMXZHNHC-OAHLLOKOSA-N 247.338 2.781 0 40 BFAB CNCc1ccc(Br)cc1Cl 37366874 ADKPEERULMOOKJ-UHFFFAOYSA-N 234.524 2.822 0 40 BFAB in-vitro C[C@@H](Nc1ncnc2ccccc12)C1CC1 37488378 FLFRUQIZVOZXBE-SECBINFHSA-N 213.284 2.840 0 40 BFAB O=C1CCC(COCc2ccccc2)CC1 38867526 MJMBHVIWLMZUMC-UHFFFAOYSA-N 218.296 2.963 0 40 BFAB COCCN1CCC(Nc2ccc(C)cc2)CC1 69490742 WGPOVTQPYYMCSW-UHFFFAOYSA-N 248.370 2.518 0 40 BFAB CC[C@@H](N)c1cnc(N2CCCCC2)c(C)c1 72222466 DDNIHOZEMILIOP-CYBMUJFWSA-N 233.359 2.790 0 40 BFAB COc1ccc2cc(CC(=O)O)ccc2c1C 72226991 QTJFMLHBLYNRQA-UHFFFAOYSA-N 230.263 2.784 0 40 BFAB Cc1oc(-c2ccc(F)cc2)cc1CO 77073040 UHKCPOCJMVBZGY-UHFFFAOYSA-N 206.216 2.886 0 40 BFAB Brc1ccc(Cc2ncc[nH]2)cc1 82548668 RFYIUZCGZXPAMZ-UHFFFAOYSA-N 237.100 2.763 0 40 BFAB in-vitro O=C(c1ccc(F)c(F)c1)c1nccs1 95728256 QFTKTMPCVXKICZ-UHFFFAOYSA-N 225.219 2.652 0 40 BFAB c1c2c(nn1C1CCCCC1)C[C@H]1CC[C@@H]2N1 96510255 CBVOHBYKQNAULQ-MFKMUULPSA-N 231.343 2.738 0 40 BFAB Cc1cc(N2CCc3sccc3C2)nnc1C 110101154 HGDIFDNNCWMBLD-UHFFFAOYSA-N 245.351 2.718 0 40 BFAB Cc1cccc2cc(C(=O)NC3CC3)oc12 139467572 CIPAXVYBFBABMJ-UHFFFAOYSA-N 215.252 2.633 0 40 BFAB CCOC(=O)c1ccc2c(c1)nc1n2CCCC1 141586500 QFLVOMLOVHDWQB-UHFFFAOYSA-N 244.294 2.549 0 40 BFAB Cc1cc(C)cc(C[C@@H](OC(C)C)C(=O)O)c1 225038310 CLESHVOAEYFIDD-CYBMUJFWSA-N 236.311 2.724 0 40 BFAB Cc1ccc(CCCO)cc1Br 228964530 UHXVMFGJBJQYRR-UHFFFAOYSA-N 229.117 2.682 0 40 BFAB O=C(O)c1ccccc1-c1cccc2c1OCO2 565776418 JNJQYUQBVDTCBS-UHFFFAOYSA-N 242.230 2.781 0 40 BFAB CC1=CCC[C@H](C)C(=O)CC2=C(C)C(=O)O[C@H]2C1 1772591988 VILHAYBRKKWZBQ-HZMBPMFUSA-N 248.322 2.954 0 40 BFAB S=c1nc2sccn2c2ncccc12 93684 KRQRLEBPIZVJRT-UHFFFAOYSA-N 219.294 2.673 0 40 BFAB CC(=O)c1cc(CC=C(C)C)c(O)cc1O 481600 WIMBPCIHPXPPDB-UHFFFAOYSA-N 220.268 2.809 0 40 BFAB CC[C@]1(O)c2ccccc2-c2ncccc21 499673 ZGZXMNRYVIGLJN-AWEZNQCLSA-N 211.264 2.708 0 40 BFAB CCC(CC)C(=O)Oc1ccc(C)nc1 1006357 XLGQBEUZFBLVRZ-UHFFFAOYSA-N 207.273 2.732 0 40 BFAB COc1ccccc1CNC(=O)C1CCCCC1 1457088 MYCSEUMRKSYISC-UHFFFAOYSA-N 247.338 2.892 0 40 BFAB Nc1ccc2c(c1)[C@@H](O)c1ccc(Cl)cc1-2 2041752 JXQOEWRFOZIFRB-ZDUSSCGKSA-N 231.682 2.984 0 40 BFAB CC[C@@]1(C)C[C@](CCN)(C(C)C)CCO1 2109108 IEYBMVZVJJBDIT-QWHCGFSZSA-N 213.365 2.957 0 40 BFAB biogenic COC(=O)CCC(=O)c1ccc2ccccc2c1 2580948 SUTZIVCVBFCEBY-UHFFFAOYSA-N 242.274 2.976 0 40 BFAB Cc1sc(NN)nc1-c1ccc(F)cc1 4293981 XTXXGLLCHPERLO-UHFFFAOYSA-N 223.276 2.543 0 40 BFAB CCCC(=O)Nc1ccc(N2CCCC2=O)cc1 5439712 SFAUUELBTVXYAQ-UHFFFAOYSA-N 246.310 2.552 0 40 BFAB CC[C@@H](N[C@H]1C(C)=Cc2ccccc21)C(=O)O 8730601 TZYIAZFUWMZFBD-OLZOCXBDSA-N 231.295 2.597 0 40 BFAB CCC[C@@H](N[C@H]1C(C)=Cc2ccccc21)C(=O)O 8730653 IODKUYZKWSNWCQ-KGLIPLIRSA-N 245.322 2.988 0 40 BFAB CCOC(=O)/C=C/c1ccc(NC(=O)CC)cc1 8777233 MLSCLKJEQWWMLY-JXMROGBWSA-N 247.294 2.611 0 40 BFAB CC(=O)c1sc(N)nc1-c1ccccc1 11535902 PXKPGKJPVSSNDP-UHFFFAOYSA-N 218.281 2.595 0 40 BFAB in-vitro Cc1n[nH]c(S[C@H](C)c2ccccc2)n1 12944796 HOFPCLKZCUQAQM-MRVPVSSYSA-N 219.313 2.966 0 40 BFAB COCCCOc1ccc(C(F)(F)F)cc1N 14629469 ZUBMKEJGCSGRBC-UHFFFAOYSA-N 249.232 2.703 0 40 BFAB O=c1c2ccccc2cc2n1CCCCC2 15829272 ODVMPUWRYDXQHW-UHFFFAOYSA-N 213.280 2.728 0 40 BFAB C1CCC(CCOC[C@@H]2CCCNC2)CC1 19735443 ZNQQQCJTKNJVBK-CQSZACIVSA-N 225.376 2.973 0 40 BFAB in-vitro CCOc1cc(CNc2cccnc2)ccc1O 19884137 MDZZOJGBTCCJLS-UHFFFAOYSA-N 244.294 2.798 0 40 BFAB Cc1ccc(N[C@H](C)C(=O)NCC(C)C)c(C)c1 20312767 HVELIKDUIBUCKH-CYBMUJFWSA-N 248.370 2.876 0 40 BFAB Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)O 21955624 RWSRIUVQFIXDLK-JTQLQIEISA-N 222.284 2.970 0 40 BFAB in-vitro NNc1nc2c(ccc3ccccc32)s1 32499994 NVPCSQFCNORIOF-UHFFFAOYSA-N 215.281 2.735 0 40 BFAB O=C(NC1CC1)N[C@@H]1CCCc2ccccc21 32843685 WPDRPSHOYODIAB-CYBMUJFWSA-N 230.311 2.526 0 40 BFAB COC(=O)/C=C\c1ccc(Br)cc1 33305574 MFKOGXVHZUSUAF-DAXSKMNVSA-N 241.084 2.635 0 40 BFAB CC(C)(C)NC[C@@H](O)c1sccc1Cl 33829477 REQYNMUQDOSYGC-MRVPVSSYSA-N 233.764 2.823 0 40 BFAB CCOc1cc2c(cc1OCC)C(=O)CC2 34440577 GSAHFRQIQURXHP-UHFFFAOYSA-N 220.268 2.613 0 40 BFAB c1ccc2sc(NCCn3cccn3)nc2c1 34936074 YBKIRQAYUJOEKX-UHFFFAOYSA-N 244.323 2.605 0 40 BFAB CCOc1cc(N)c(Cl)cc1Cl 36404995 SEBBNQOHYVMSGI-UHFFFAOYSA-N 206.072 2.974 0 40 BFAB C=CC(=O)N1CCC[C@H]1c1ccccc1C 37832554 OFDVLVACXJSOFI-ZDUSSCGKSA-N 215.296 2.845 0 40 BFAB Cc1cc(C)cc(NC[C@H](O)COC(C)C)c1 37880746 BKZQJQSDSPGDHA-AWEZNQCLSA-N 237.343 2.501 0 40 BFAB CCOC(=O)[C@H]1C[C@H](C(C)(C)C)CCC1=O 39416297 JHTDFSYUZRZZBQ-ZJUUUORDSA-N 226.316 2.581 0 40 BFAB in-vitro CCCC(=O)N1CCC(c2nccs2)CC1 40623305 HNQFZVLRYHHTIY-UHFFFAOYSA-N 238.356 2.649 0 40 BFAB CCCC(=O)NCc1c[nH]c2ccccc12 41340924 ZQHGNZFPFDGHPN-UHFFFAOYSA-N 216.284 2.584 0 40 BFAB CCC(C)(C)c1ccc(OC2CNC2)cc1 42769995 CSJKVPQCFJLHBD-UHFFFAOYSA-N 219.328 2.725 0 40 BFAB Cc1cc(C)c(OC[C@@H]2CCNC2)c(Cl)c1 42770737 BLVLPQQCZLZDCB-LLVKDONJSA-N 239.746 2.945 0 40 BFAB CC[C@H](CO)NC1CCC(C(C)C)CC1 54554628 KYFUBCRSUVWLOU-OTTFEQOBSA-N 213.365 2.562 0 40 BFAB NC[C@H]1C[C@H]1c1ccccc1OC(F)(F)F 54561806 YYFVHSZMKLORPR-VXNVDRBHSA-N 231.217 2.647 0 40 BFAB Cc1cc(N)ccc1N1CCC(C)CC1 57363454 SPLIGBCJWLIEQD-UHFFFAOYSA-N 204.317 2.814 0 40 BFAB CSc1ncc(CNC2CCCCC2)cn1 62717195 POWZXPFIMJJDNY-UHFFFAOYSA-N 237.372 2.621 0 40 BFAB COc1ccc(-c2ccc(C)nc2)cc1C=O 62948332 INMLQOUJGFSGFI-UHFFFAOYSA-N 227.263 2.878 0 40 BFAB CCN(C(=O)c1ccc(C)cc1C)C1CC1 69569348 LSZNNKZFBFQUKT-UHFFFAOYSA-N 217.312 2.928 0 40 BFAB CNc1ncc([C@@H]2CCCN2C(C)C)cc1C 72218979 MWBAQYPQKMEVOM-ZDUSSCGKSA-N 233.359 2.977 0 40 BFAB CCCN1CCC[C@H]1c1ccc(NC)nc1C 72219102 OROIEMVNIFUPNQ-ZDUSSCGKSA-N 233.359 2.979 0 40 BFAB CCOC(=O)c1cc(OC)c(OC)cc1Cl 82724445 ZPBRCEMWMQUPAR-UHFFFAOYSA-N 244.674 2.534 0 40 BFAB C[C@H](CC(=O)O)c1cc2ccccc2[nH]1 82914375 QHVKPNMWZIYYKD-MRVPVSSYSA-N 203.241 2.746 0 40 BFAB CCOCC[C@@H](CC)CNC1CCCC1 85396106 HVFJZEDGESSUBS-GFCCVEGCSA-N 213.365 2.971 0 40 BFAB CNC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl 89385848 WIGOYGLWPDYVGT-IUCAKERBSA-N 244.121 2.843 0 40 BFAB O=C(C1CCCC1)N1C[C@H]2CCCC[C@H]2C1 89817989 ADDRGZGFIJDINB-BETUJISGSA-N 221.344 2.825 0 40 BFAB CC(=O)Sc1cc(F)c(F)c(F)c1 95730909 UJFOPJARSSBLCN-UHFFFAOYSA-N 206.188 2.743 0 40 BFAB O[C@@H](c1ccccc1)[C@H]1C[C@H]2C=C[C@H]1C2 102934003 DJEJUNPYGYWALI-PYJNHQTQSA-N 200.281 2.932 0 40 BFAB COc1csc(-c2nc(C(C)C)no2)c1 130743053 AJSHLQUFOCFQQQ-UHFFFAOYSA-N 224.285 2.930 0 40 BFAB Cc1c(F)cccc1N[C@@H]1CCCC[C@@H]1N 218865356 VSOPLWUHYZTJDH-WCQYABFASA-N 222.307 2.816 0 40 BFAB CCSc1nnc(C)n1-c1ccc(OC)cc1 280036246 WLPMLXFOGVQQGZ-UHFFFAOYSA-N 249.339 2.696 0 40 BFAB Cn1c(=N)sc2ccc3c(c21)CCCC3 409227422 YMFXTJGGYIFBIS-UHFFFAOYSA-N 218.325 2.598 0 40 BFAB CN(C)[C@H]1CCC[C@@H]1Oc1ncccc1Cl 585655174 VZGWHBYQCURPCR-QWRGUYRKSA-N 240.734 2.597 0 40 BFAB FC(F)Oc1ccc2c(Cl)ncnc2c1 1535543848 WTTGJCMEIAPDAP-UHFFFAOYSA-N 230.601 2.885 0 40 BFAB CCOC(=O)c1cc(-c2ccc(F)c(C)c2)on1 1857794069 HTFKCDJQBVLLLK-UHFFFAOYSA-N 249.241 2.966 0 40 BFAB CCOC(CNc1ccc(F)cc1)OCC 153130 RSSWNXUJKRPPQC-UHFFFAOYSA-N 227.279 2.637 0 40 BFAB Cc1cc(C)c2nc(Cl)c(CO)cc2c1 421637 XXNOYBFTZFIWKN-UHFFFAOYSA-N 221.687 2.997 0 40 BFAB Cc1ccc(/C=C/C(=O)NCC(C)C)cc1 571888 SPVUDYADAZGWLE-CMDGGOBGSA-N 217.312 2.780 0 40 BFAB N=C(N)Cc1ccccc1Oc1ccccc1 1442806 VLRREQZJADEHDQ-UHFFFAOYSA-N 226.279 2.957 0 40 BFAB Cc1ccc([C@H]2N[C@@H]2C(=O)c2ccccc2)cc1 1557522 JGTSFRSZLJAAST-CABCVRRESA-N 237.302 2.891 0 40 BFAB O=C(Cc1ccccc1)OCc1ccco1 1648518 RQIJJMRWUPHQGB-UHFFFAOYSA-N 216.236 2.566 0 40 BFAB COC(=O)c1cccc2c1-c1ccccc1[C@@H]2O 1714585 HBTLXUQQRYOZDV-AWEZNQCLSA-N 240.258 2.535 0 40 BFAB CCOC(=O)[C@]1(C)C(C)=Nc2ccccc21 3847664 XCOUQSGAQWXIRD-CYBMUJFWSA-N 217.268 2.613 0 40 BFAB biogenic Cc1ccccc1NC(=O)CN1CCCC[C@H]1C 4721949 MIUZLXCFVKDORO-CYBMUJFWSA-N 246.354 2.808 0 40 BFAB CC(C)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C 4727044 ZPPVUKKGSHDRRV-SUNKGSAMSA-N 223.360 2.973 0 40 BFAB Cc1ccnc(NC(=O)CCc2ccco2)c1 12527735 DAYZCABMKRZCOG-UHFFFAOYSA-N 230.267 2.554 0 40 BFAB O=C1CCc2cc(-c3cccnc3)ccc2N1 13450004 MPGBYGNPFRLHAO-UHFFFAOYSA-N 224.263 2.633 0 40 BFAB in-vivo CCCNC(=S)Nc1ccccc1OCC 13792236 NINVVDDJALVAEF-UHFFFAOYSA-N 238.356 2.782 0 40 BFAB Cc1ccc(OC[C@H]2CCCNC2)cc1C 19487088 NQBAWFIAPIHTFK-ZDUSSCGKSA-N 219.328 2.682 0 40 BFAB Cc1ccc2[nH]c(CCCC(=O)O)nc2c1C 19737145 JZEWEUNDKAZCDI-UHFFFAOYSA-N 232.283 2.587 0 40 BFAB CC(C)c1ccc(-c2noc([C@@H](C)N)n2)cc1 19785456 KVLHGMLYZICNNW-SECBINFHSA-N 231.299 2.880 0 40 BFAB in-vitro O=C(NCCc1cccs1)c1ccccc1 21475143 UOTIVHIGQMWNKC-UHFFFAOYSA-N 231.320 2.721 0 40 BFAB Cc1cccc(NC(=O)OCC(F)(F)F)n1 32628808 ZZFSFNGBEOQAII-UHFFFAOYSA-N 234.177 2.501 0 40 BFAB in-vitro Cc1nc(N)sc1Cc1ccc(F)cc1F 35250911 SYGBBWYJNCAOAE-UHFFFAOYSA-N 240.278 2.903 0 40 BFAB COc1ccc2c(C)c(C(=O)O)oc2c1C 36657722 PRELZHJBOJKAMK-UHFFFAOYSA-N 220.224 2.756 0 40 BFAB CCCn1ccnc1-c1cccc(N)c1 37471398 BHTVWAQWMJILRC-UHFFFAOYSA-N 201.273 2.542 0 40 BFAB in-vitro CCOC(=O)c1oc(-c2ccccc2)cc1N 38580700 BDBLZEDTINOFHA-UHFFFAOYSA-N 231.251 2.706 0 40 BFAB in-vitro COc1cccc(C2(C(=O)O)CCCCC2)c1 40907690 QWTICCZGMPIBKC-UHFFFAOYSA-N 234.295 2.982 0 40 BFAB C[C@H](O)CCc1ccc(Br)cc1 43656760 QUYKPVOFFUPFDD-QMMMGPOBSA-N 229.117 2.763 0 40 BFAB CNC[C@H](OC(C)C)c1cccc(F)c1 50483559 KZOAYRCZMDCIBO-LBPRGKRZSA-N 211.280 2.511 0 40 BFAB COc1ccc(N[C@H](C)c2nc(C)no2)cc1 69873790 OXAFTKXJDNSBDD-MRVPVSSYSA-N 233.271 2.560 0 40 BFAB CC(C)=CCN1CCC[C@H]1c1cnn(C)c1 71797280 NDBXHUUCVRENBE-ZDUSSCGKSA-N 219.332 2.523 0 40 BFAB CC[C@@H](O)c1cnc(Br)cc1C 72222955 VKEYWSJWZKNTKD-MRVPVSSYSA-N 230.105 2.596 0 40 BFAB Cc1cc(Sc2ccccc2)ncc1CN 72223176 VAWAGBREGJKDCV-UHFFFAOYSA-N 230.336 3.000 0 40 BFAB Cc1nccc(N2CCCC(C)(C)CC2)n1 78373517 GPVWGMNWDWMHBS-UHFFFAOYSA-N 219.332 2.802 0 40 BFAB CCc1ccccc1NC(=O)[C@H]1CCCN(C)C1 82323167 MCEXIVKNNZFBFA-ZDUSSCGKSA-N 246.354 2.529 0 40 BFAB CCSC[C@H](C)N(C)Cc1cccnc1 89275207 QVGFRAKHRVXORU-NSHDSACASA-N 224.373 2.655 0 40 BFAB Cc1cncc(C(=O)N2C[C@H]3CCCC[C@H]3C2)c1 89591487 MTPCFRAABYGYGF-BETUJISGSA-N 244.338 2.652 0 40 BFAB CNCc1ccc2c(c1)CCC(C)(C)O2 95704863 CVFMNKZYVXATGH-UHFFFAOYSA-N 205.301 2.510 0 40 BFAB Cn1cc(N)c(Oc2ccc(Cl)c(F)c2)n1 95836581 NBKAPIIPULLYGQ-UHFFFAOYSA-N 241.653 2.587 0 40 BFAB CCCn1cc(N[C@H](C)CC(C)(C)OC)cn1 95991554 NFJVURWEJFLRRY-LLVKDONJSA-N 239.363 2.909 0 40 BFAB COC(=O)c1oc2ccc(Cl)cc2c1OC 96515779 DOLUEHSMZXYDMU-UHFFFAOYSA-N 240.642 2.881 0 40 BFAB CCN(CC)[C@@H](Cc1ccc(C)cc1C)C(=O)O 107843828 QNKWZEPFXXVOJQ-AWEZNQCLSA-N 249.354 2.641 0 40 BFAB Cc1occc1[S@](=O)CCc1ccccc1 189610197 PYSFZGSYFSBZEX-MRXNPFEDSA-N 234.320 2.938 0 40 BFAB Cc1cc([C@@H](O)c2ccccc2)ccc1N 224012922 GKVRZRJXGYZUJY-AWEZNQCLSA-N 213.280 2.659 0 40 BFAB CC[n+]1cccc(-c2nc3ccccc3[nH]2)c1 226774435 QBQRQJTUAGPYMB-UHFFFAOYSA-N 224.287 2.537 0 40 BFAB CCc1cc(Br)c(F)c(C(=O)O)c1 258224544 BMJZEDPCIGEMCN-UHFFFAOYSA-N 247.063 2.849 0 40 BFAB COc1ccc([C@H]2CC2(F)F)cc1OC 2362801302 CNBXKIPKXPOSMK-MRVPVSSYSA-N 214.211 2.826 0 40 BFAB C[C@H]1CCC[C@H](C)N1C(=O)c1ccco1 340600 QUWXLHIGIJVNOV-UWVGGRQHSA-N 207.273 2.683 0 40 BFAB COc1cccc(/C=C/c2ccnnc2)c1 1565705 FFTNURXVZUNOSM-AATRIKPKSA-N 212.252 2.656 0 40 BFAB CC(C)(C)NC(=O)CCC(=O)c1ccccc1 2180778 BOVWBFSNTINPOS-UHFFFAOYSA-N 233.311 2.564 0 40 BFAB CCCCC(=O)Nc1cccc([C@H](C)O)c1 4666475 AYZWRABPAUXPRO-JTQLQIEISA-N 221.300 2.869 0 40 BFAB CC(C)N1c2ccc(C=O)cc2C[C@H]1C 4998656 NCDYVZCIBMESRD-SNVBAGLBSA-N 203.285 2.659 0 40 BFAB CSc1ccccc1NC(C)(C)C(=O)O 8702859 FSEYCEYRCDAKMS-UHFFFAOYSA-N 225.313 2.684 0 40 BFAB O=C(O)[C@H](c1ccc(Cl)cc1)N1CCCC1 16764096 GSJYGYDFYYOTTD-NSHDSACASA-N 239.702 2.562 0 40 BFAB CCCOc1ccc([C@@H](C)NCCOC)cc1 19881632 LMHLGHVFTHVUMF-GFCCVEGCSA-N 237.343 2.772 0 40 BFAB CC(C)[C@@H](C)NC(=O)[C@H]1Cc2ccccc2S1 22242082 BAGQRSWIZIKLDN-ZWNOBZJWSA-N 249.379 2.864 0 40 BFAB CCc1n[nH]c(SCc2ccccc2F)n1 22542898 NJIWBXMIUZHOSV-UHFFFAOYSA-N 237.303 2.799 0 40 BFAB CC(C)(C)c1[nH]c2ncccc2c1C=O 25336326 VLMGRJVCDFFENX-UHFFFAOYSA-N 202.257 2.673 0 40 BFAB in-vitro COCC(=O)Nc1cccc(OC2CCCC2)c1 29022045 GRRJXAQIFXGQJI-UHFFFAOYSA-N 249.310 2.593 0 40 BFAB C[C@@H](O)Cc1ccc(Cl)c(Cl)c1 32010412 NVTCWDFUOVNOSO-ZCFIWIBFSA-N 205.084 2.917 0 40 BFAB O=C(NCCc1cccc(F)c1)[C@H]1CC=CCC1 32745066 LDEQCCOLIYLVQK-ZDUSSCGKSA-N 247.313 2.841 0 40 BFAB CNCCSCc1cccc(Cl)c1 36720692 FIAZFPWQCVQJAA-UHFFFAOYSA-N 215.749 2.793 0 40 BFAB COc1ccccc1-c1ccc2c(c1)NC(=O)C2 39020427 OPHFPDJTRBPFFC-UHFFFAOYSA-N 239.274 2.857 0 40 BFAB CCOc1ccccc1CCC(=O)N[C@@H](C)CC 40462831 RCBRUPKCFUNMBT-LBPRGKRZSA-N 249.354 2.933 0 40 BFAB CC(C)c1cccc2c(N)c(C(=O)O)cnc12 62719795 SXOIZJNMOXKUGH-UHFFFAOYSA-N 230.267 2.639 0 40 BFAB biogenic CC(C)(C)C[C@@H]1CCCN1C(=S)NC1CC1 69981156 TVQHMBMHVIPWOK-NSHDSACASA-N 240.416 2.924 0 40 BFAB CCC(=O)N1CCCC[C@H]1c1nc(C)cc(C)n1 72187603 XIQPOVLSUKWTCW-LBPRGKRZSA-N 247.342 2.557 0 40 BFAB N[C@H](c1c(F)cccc1F)C(F)(F)F 72194733 FQBIIQNIZSLNJU-SSDOTTSWSA-N 211.133 2.527 0 40 BFAB in-vitro CC[C@H](C)Nc1ncccc1[C@H]1CCCN1C=O 72213370 KCHJOWHCWJPCDB-WCQYABFASA-N 247.342 2.585 0 40 BFAB CCN1CCCC[C@H]1c1cnc(OC)cc1C 72218033 BMBUMDDQFHTIAW-ZDUSSCGKSA-N 234.343 2.946 0 40 BFAB CC(C)Nc1ccc([C@H](O)c2ccccc2)cn1 72225067 MICQTBGSFRUMGR-OAHLLOKOSA-N 242.322 2.984 0 40 BFAB C[C@@H]1CCCN(C(=O)CC2CCCC2)C1 82319596 YGNHXFMCSOHRIP-LLVKDONJSA-N 209.333 2.825 0 40 BFAB Cc1ccc(NC(=O)c2cnco2)c(C)c1 82322482 AXURPZAEWQOUKA-UHFFFAOYSA-N 216.240 2.544 0 40 BFAB CC(=O)Cc1cc(C)c2cccc(F)c2n1 95096703 DJCLNGSKEXMJBR-UHFFFAOYSA-N 217.243 2.814 0 40 BFAB c1ccc2c([C@H]3COCCN3)csc2c1 95692439 AJYLQTJENHZIBP-LLVKDONJSA-N 219.309 2.562 0 40 BFAB CCN1CC[C@H](NCCCC(C)C)[C@H](C)C1 95967202 PKAFQOIFROJWGF-KGLIPLIRSA-N 226.408 2.743 0 40 BFAB Cc1ccc(CCC(=O)N2CCCC2)cc1C 96621674 UEHSENSYILNPOV-UHFFFAOYSA-N 231.339 2.858 0 40 BFAB Cc1ccn(Cc2ccc(OC(F)F)cc2)n1 97021482 OYVMCWRVXQOILG-UHFFFAOYSA-N 238.237 2.841 0 40 BFAB CCN(C(=O)c1csnc1C)c1ccncc1 97237464 WFKDADMLOMUVTQ-UHFFFAOYSA-N 247.323 2.513 0 40 BFAB CCNC(=O)[C@@H](CC)Oc1cccc(Cl)c1 113951005 YPZDVVJZOHJRKU-LLVKDONJSA-N 241.718 2.634 0 40 BFAB CC(C)(C)OC(=O)CC(=O)Cc1ccccc1 138789097 OTTMVRZVINHCBZ-UHFFFAOYSA-N 234.295 2.530 0 40 BFAB COc1ccc([C@H](C)Nc2cnn(C)c2)cc1C 157331355 KLMMTWPUBHDROS-NSHDSACASA-N 245.326 2.910 0 40 BFAB Cc1ccc(CCn2cc(F)ccc2=O)cc1 190738336 GCJWUYZZHSQFEU-UHFFFAOYSA-N 231.270 2.539 0 40 BFAB CCOC(=O)c1cc(C(F)(F)F)oc1C 220829794 UCTFVDURZZFPDI-UHFFFAOYSA-N 222.162 2.784 0 40 BFAB COc1ccc(C(=O)NCC(C)(C)C)cc1C 226094641 MHSLAXYVEFXFGK-UHFFFAOYSA-N 235.327 2.780 0 40 BFAB COc1cc(N)ccc1N1CCc2ccccc21 252489246 JMLQPOQQQFKXTA-UHFFFAOYSA-N 240.306 2.972 0 40 BFAB N[C@H]1CC[C@H](Cc2ccc(F)cc2)CC1 257218540 DDMRSUIXRRWCQQ-AULYBMBSSA-N 207.292 2.886 0 40 BFAB Clc1ccc2c(c1)[C@@]1(CCC2)CCN1 306145554 IJVWDSBREGHYLP-GFCCVEGCSA-N 207.704 2.865 0 40 BFAB O=C(N[C@@H]1CCC[C@H]1F)c1ccc2cc[nH]c2c1 585298235 RQMSFOXSEKJLAE-VXGBXAGGSA-N 246.285 2.788 0 40 BFAB Cc1cncc(OCc2ccccc2C)n1 585651958 SRLQCXLTRJAFNZ-UHFFFAOYSA-N 214.268 2.672 0 40 BFAB COC(=O)c1c(F)cc(OC(C)C)cc1F 642814421 HZQOAZRATOOSEQ-UHFFFAOYSA-N 230.210 2.539 0 40 BFAB Cc1ncc(CN(C)c2ccsc2)o1 930883295 WLRSFZZJGZRGRK-UHFFFAOYSA-N 208.286 2.681 0 40 BFAB CCn1cnc2c(Cl)c(Cl)ccc2c1=O 1888859216 AMTPDTYBFZUPTK-UHFFFAOYSA-N 243.093 2.723 0 40 BFAB COc1ccc(N2Cc3ccccc3C2=O)cc1 351266 XZCRJQBSQFTGQO-UHFFFAOYSA-N 239.274 2.856 0 40 BFAB S=c1nc[nH]c2c1ncn2C1CCCC1 1566905 AMLJKGIHHITBDS-UHFFFAOYSA-N 220.301 2.604 0 40 BFAB C[C@@H]1CCc2nc3ccccc3c(N)c2C1 4722754 NCTPLHBPILFKIF-SECBINFHSA-N 212.296 2.942 0 40 BFAB CCOc1ccc(CSC(=N)N)cc1Cl 4807293 MMNIKDOEZVGFGY-UHFFFAOYSA-N 244.747 2.865 0 40 BFAB CC(=O)c1cccc(NC(=O)CC(C)C)c1 5284497 NTWGKONPUYXWIM-UHFFFAOYSA-N 219.284 2.874 0 40 BFAB C[C@@H]1CCC[C@@H]([C@@H]2CCCCCC[C@@H]2O)N1 5463286 GATSTKOBZRQEDQ-RFGFWPKPSA-N 225.376 2.848 0 40 BFAB CCc1cccc(CC)c1NC(=O)[C@H]1CCCO1 5477435 DPHSIWWAKJOAPE-CYBMUJFWSA-N 247.338 2.929 0 40 BFAB Cc1cc(NC(=O)NC2CCC(C)CC2)no1 9513437 YYYSATOJSVIIHD-UHFFFAOYSA-N 237.303 2.683 0 40 BFAB Cc1ccccc1[C@@H]1CC(=O)c2c(C)n[nH]c2C1 10156796 KIBTWHCNLFAAOA-NSHDSACASA-N 240.306 2.939 0 40 BFAB CC1(C)C[C@@H](N)c2cc(Cl)ccc2O1 11848960 YCHLOTPQPGERAD-SECBINFHSA-N 211.692 2.901 0 40 BFAB C[C@@H]1CCCN(C(=O)CCc2cccs2)C1 12911251 PMNZDCGWXLNCRF-LLVKDONJSA-N 237.368 2.939 0 40 BFAB CC[C@@H](Oc1ccc(F)c(Cl)c1)C(=O)O 13609221 JXJJBRDRYGYHOY-SECBINFHSA-N 232.638 2.721 0 40 BFAB NC1=Nc2ccccc2Sc2ncccc21 19770028 XSVYHVZKBBQCHB-UHFFFAOYSA-N 227.292 2.583 0 40 BFAB CCOCCCN[C@@H](C)c1ccc(C)o1 19962949 NOVPOWIQNYVWLE-NSHDSACASA-N 211.305 2.665 0 40 BFAB Cc1cc(C(=O)O)cc(C)c1OC(F)F 20475447 DDQQDZZCUFMCQV-UHFFFAOYSA-N 216.183 2.603 0 40 BFAB in-vitro C[C@H](CNCc1ccccc1)N1CCCCC1 22073582 OMRDQGFKLZHQKN-CQSZACIVSA-N 232.371 2.651 0 40 BFAB C[C@H](c1ccc(F)cc1)N(C)C(=O)NC1CC1 22383339 LKICRLLUOHQWDZ-SECBINFHSA-N 236.290 2.691 0 40 BFAB CN(Cc1ccc(C(N)=O)cc1)C1CCCCC1 27271232 RVUOPEDBCGMHGA-UHFFFAOYSA-N 246.354 2.550 0 40 BFAB C[C@H](NC(=O)c1ccccc1)c1ccccn1 28781110 ORQVRJRSJJITNK-NSHDSACASA-N 226.279 2.573 0 40 BFAB c1ccc(C2=NCN3C[C@]23c2ccccc2)cc1 31719798 NYSMVQYDVQCSAW-ATNAJCNCSA-N 234.302 2.658 0 40 BFAB O=c1cc2c(c(-c3ccccc3)[nH]1)CCCC2 34586486 XJRYFQBGSUZJRI-UHFFFAOYSA-N 225.291 2.921 0 40 BFAB Nc1nc2cc(Cl)ccc2n1CC1CC1 36889509 BXEVTHXNHXDFKW-UHFFFAOYSA-N 221.691 2.682 0 40 BFAB COc1ccc(F)cc1[C@@H](O)c1ccoc1 40258462 SSPGXVRMBMCKFH-LBPRGKRZSA-N 222.215 2.509 0 40 BFAB O=C(CC[C@H]1CCCO1)Nc1cccc(F)c1 40505862 FVORHNUFVULIAF-GFCCVEGCSA-N 237.274 2.723 0 40 BFAB C[C@H]1CCCC[C@@H]1NC(=O)c1ccnc(F)c1 41038710 XAUJYEPLUXYYNZ-ONGXEEELSA-N 236.290 2.529 0 40 BFAB CCc1noc([C@H](C)N2CCC[C@H](CC)C2)n1 42145710 XHUURGPLYNNUSQ-QWRGUYRKSA-N 237.347 2.815 0 40 BFAB CN[C@@H]1CCc2c(OC(F)(F)F)cccc21 42405249 RAAJLRDSCZJNJS-SECBINFHSA-N 231.217 2.792 0 40 BFAB O[C@H]1CCC[C@@H]1n1ccnc1-c1cccs1 45048568 CGMMGKQPQXPSCS-UWVGGRQHSA-N 234.324 2.698 0 40 BFAB CCC[C@@H](C)NC[C@@H](C)C(=O)OC(C)(C)C 47219014 ZYJPKZJOIAGTIK-GHMZBOCLSA-N 229.364 2.742 0 40 BFAB CNC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C 47831812 DPUBABNNMVWDAM-LLVKDONJSA-N 235.327 2.632 0 40 BFAB NCC1(c2ccccc2Br)CCC1 55336149 PQBNIKJNTFNBGN-UHFFFAOYSA-N 240.144 2.830 0 40 BFAB in-vitro C=C/C=C/NC(=O)OCC(Cl)(Cl)Cl 65735026 NERUESRQTJURBD-ONEGZZNKSA-N 244.505 2.783 0 40 BFAB in-vitro CCOCCOc1cccc(Cl)c1 70233491 XBQMFLCPHQCGNU-UHFFFAOYSA-N 200.665 2.755 0 40 BFAB O=CN1CCCC[C@@H]1c1ccc2ncccc2c1 72221820 IYCRFWWVSSHEAK-OAHLLOKOSA-N 240.306 2.918 0 40 BFAB C[C@H]1CCC[C@@H](C)N1C(=O)[C@@H]1CCCS1 73320318 KUICHCGNVMQXBC-AXFHLTTASA-N 227.373 2.672 0 40 BFAB COc1cccc(F)c1[C@H](C)Nc1ncccn1 78420783 YXFMLUIJOBWCKS-VIFPVBQESA-N 247.273 2.797 0 40 BFAB CC(=O)OCCc1ccc(C)c(Cl)c1 95729996 DFWIWKUXLVLKML-UHFFFAOYSA-N 212.676 2.754 0 40 BFAB O=C(c1nccs1)C(Cl)(Cl)Cl 95733026 QLROATYBFIERDN-UHFFFAOYSA-N 230.503 2.696 0 40 BFAB CC[C@](C)(O)c1cc(F)c(F)c(F)c1 95739040 WDCIYJNSOAKNIQ-JTQLQIEISA-N 204.191 2.721 0 40 BFAB C/N=c1/sc(C)c(-c2ccc(F)cc2)n1C 102958803 MSIQVRMVVBHVBD-WYMLVPIESA-N 236.315 2.732 0 40 BFAB CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](F)C1 107261457 LMGCOGYRDPYGEQ-BDAKNGLRSA-N 217.284 2.792 0 40 BFAB O=C(O)c1cc2ccnc(Cl)c2s1 108275111 ANEUXDOHOAIUPU-UHFFFAOYSA-N 213.645 2.648 0 40 BFAB in-vitro S=C1N=C(c2ccccc2)[C@@H]2C=CC=CN12 108420285 UUJUNFVVCMJXAI-NSHDSACASA-N 226.304 2.528 0 40 BFAB COCOc1c(F)cccc1Br 196615770 XIITULUAQZZENH-UHFFFAOYSA-N 235.052 2.571 0 40 BFAB Cc1cccc(N[C@H]2CCCC[C@@H]2N)c1 218857669 GYPOFMYXBZBROQ-STQMWFEESA-N 204.317 2.677 0 40 BFAB N[C@@H]1CCCC[C@H]1Nc1c(F)cccc1F 218866069 NUCOKQVNEJGCAX-GHMZBOCLSA-N 226.270 2.647 0 40 BFAB CCCCO[C@@H](Cc1cccc(C)c1)C(=O)O 225019235 YUAGTHYTHYDAIZ-ZDUSSCGKSA-N 236.311 2.807 0 40 BFAB Nc1nsc2cccc(Br)c12 228961587 AHHBPEPLXSAAAV-UHFFFAOYSA-N 229.102 2.641 0 40 BFAB Oc1ccc2cncc(Br)c2c1 250204254 TVLFJDFXDIXNGK-UHFFFAOYSA-N 224.057 2.703 0 40 BFAB CN[C@@H](CF)c1ccc(Br)cc1 1535640401 CZEZXPYPGYOLDA-VIFPVBQESA-N 232.096 2.679 0 40 BFAB COc1ccc2c(Cl)c(C(N)=O)sc2c1 45997 IWPCUYGXTLHCHD-UHFFFAOYSA-N 241.699 2.662 0 40 BFAB C[C@H](NC1=NC[C@@H](C)S1)c1ccccc1 4207735 ZJIQMPFFCHYYLL-ZJUUUORDSA-N 220.341 2.829 0 40 BFAB CC[C@@H](C)NC(=O)COc1ccc(Cl)cc1 5467654 YRCHDGZHGAARGY-SECBINFHSA-N 241.718 2.634 0 40 BFAB O=C(NC1CCCC1)c1cccc2cccnc12 8074839 PBVALSJHQMLPDM-UHFFFAOYSA-N 240.306 2.907 0 40 BFAB CNCCCNCc1ccc(-c2ccccc2)o1 8377161 CWKWLMJXSUWUJF-UHFFFAOYSA-N 244.338 2.646 0 40 BFAB CC(=O)[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C 15043154 ZFPHIYJPTMJYMI-UWVGGRQHSA-N 241.331 2.515 0 40 BFAB Cn1ccc2cc(C(=O)O)c(Cl)cc21 19873024 RTGGBNWGOOTSRD-UHFFFAOYSA-N 209.632 2.530 0 40 BFAB in-vitro C1CCC(NC2CCC3(CC2)OCCO3)CC1 19879161 AFTHZYFTBIJPHB-UHFFFAOYSA-N 239.359 2.594 0 40 BFAB Cc1sc(=N)n(C)c1-c1ccc(F)cc1 19894565 UGGVHCBYLWKNFM-UHFFFAOYSA-N 222.288 2.681 0 40 BFAB Cc1cc(C(=O)N(C)c2ccccc2)ccc1N 20220741 AROJRMIAQFPXBZ-UHFFFAOYSA-N 240.306 2.854 0 40 BFAB O=C(CCn1cccc1)Nc1ccc(Cl)cn1 21016385 AGAWUQDXYQYLTB-UHFFFAOYSA-N 249.701 2.565 0 40 BFAB C#CCN1CCC(c2nc3ccccc3o2)CC1 23641044 MISJIIJTAYCKQG-UHFFFAOYSA-N 240.306 2.640 0 40 BFAB CCCC(=O)N1CCSc2ccccc21 32997895 FQCPKAJXHUWZES-UHFFFAOYSA-N 221.325 2.925 0 40 BFAB Nc1cc(-c2ccccn2)nc(-c2ccccn2)c1 34559616 ROISIAUYBSOVRR-UHFFFAOYSA-N 248.289 2.788 0 40 BFAB Nc1noc2cccc(OCC3CCCC3)c12 40449390 NWUDDXCXWIFTBU-UHFFFAOYSA-N 232.283 2.979 0 40 BFAB CC[C@H]1CCCN(C(=O)c2scnc2C)C1 40533998 DRMUIABKIVEVQX-JTQLQIEISA-N 238.356 2.714 0 40 BFAB CN(CC[C@@H]1CCCNC1)Cc1ccccc1 42783373 UPFNTUQBZCDYAN-AWEZNQCLSA-N 232.371 2.508 0 40 BFAB CCNc1cc(C)c(Br)cn1 42783836 CTGSOUMQRZODES-UHFFFAOYSA-N 215.094 2.584 0 40 BFAB O=C(O)c1nc2c(Cl)cccc2s1 45238151 SZJFAWDPDUDEAD-UHFFFAOYSA-N 213.645 2.648 0 40 BFAB Cc1nc2ccccc2n1C(F)(F)F 45238524 LASQWFUDKZYHKQ-UHFFFAOYSA-N 200.163 2.821 0 40 BFAB CC[C@H](O)Cc1cc(Cl)ccc1OC 53784355 JNAWIMKCEOXORD-JTQLQIEISA-N 214.692 2.662 0 40 BFAB C[C@@H]1COc2ccc(C(F)(F)F)cc2N1 62526485 WABCIIFXOCZRCM-ZCFIWIBFSA-N 217.190 2.898 0 40 BFAB Cc1ccc(-n2cnc(Br)c2)cc1 72193542 UXVDZACHSYPTTP-UHFFFAOYSA-N 237.100 2.943 0 40 BFAB C[C@@H]1CC(CN)C[C@@H](C)N1Cc1ccccc1 72206940 RBQJXQBTKMCIJI-CHWSQXEVSA-N 232.371 2.634 0 40 BFAB CC(C)Oc1ncccc1[C@H]1CCCCN1 72211972 XBGSWSSTABEIGB-GFCCVEGCSA-N 220.316 2.683 0 40 BFAB CCN1CCC[C@@H]1c1ccc(OC)nc1C 72218067 MMKQKUZRIJAQFZ-GFCCVEGCSA-N 220.316 2.555 0 40 BFAB Fc1ccc(F)c(CN[C@H]2CCCSC2)c1 75183199 ICZBYMDECVRECB-NSHDSACASA-N 243.322 2.950 0 40 BFAB O=C(NCc1cc2ccccc2o1)N1CCCC1 79558850 BEEJHQVTGMOVCS-UHFFFAOYSA-N 244.294 2.738 0 40 BFAB CCc1nc([C@@H](C)NC(=O)C2CCC2)cs1 83830250 NJKIBHJXHSNWLE-MRVPVSSYSA-N 238.356 2.683 0 40 BFAB NCc1cccn1Cc1ccccc1Cl 85581686 RUOBSIJHJFHKDZ-UHFFFAOYSA-N 220.703 2.649 0 40 BFAB C[C@@H](NC(=O)[C@@]1(C)CCCS1)C(C)(C)C 95449662 HFYLYIMLPCZGMG-BXKDBHETSA-N 229.389 2.823 0 40 BFAB Cc1cccc([C@H](C)N[C@@]2(C)CCOC2)c1 97038536 OCJPSDZNTNAWHW-JSGCOSHPSA-N 219.328 2.825 0 40 BFAB C[C@H](CCc1ccc(O)cc1)Nc1ccnn1C 136497397 IBGIZLSIKJAXAD-LLVKDONJSA-N 245.326 2.559 0 40 BFAB CC(C)(C)n1ncc2c1N[C@H]1CCC[C@@H]1C2 225813431 NOZFEHVLHFCHCS-KOLCDFICSA-N 219.332 2.775 0 40 BFAB Cc1ccc([C@H](O)c2ccc(C)c(N)c2)cc1 226292107 KOVAUGOVLIYDCL-HNNXBMFYSA-N 227.307 2.967 0 40 BFAB O=C(C1CC1)N1CC[C@@H](c2ccc(F)cc2)C1 267954743 BNENENABMSRJTR-GFCCVEGCSA-N 233.286 2.552 0 40 BFAB CCCC(=O)c1ccccc1C(=O)OCC 309216710 LIMPBVGSGYTBAH-UHFFFAOYSA-N 220.268 2.846 0 40 BFAB CC(C)CC[C@@H]1CCCN1C[C@@H]1CCOC1 390833230 DXEUIIVLIQCQGZ-KBPBESRZSA-N 225.376 2.924 0 40 BFAB Cc1snc(-c2ccc(F)cc2)c1CO 642882048 YTQMOLDRLKGVMG-UHFFFAOYSA-N 223.272 2.750 0 40 BFAB O[C@@]1(c2ccccc2)CC(c2ccccc2)=NO1 41810 IDGHFXRMWBEXIC-HNNXBMFYSA-N 239.274 2.656 0 40 BFAB COc1ccc2c(c1)S[C@H](C)CC2=O 384050 RXQSTOOILJTLMH-SSDOTTSWSA-N 208.282 2.762 0 40 BFAB Cc1ccccc1C(=O)Nn1c(C)ccc1C 479737 DJRQMZXJZGHKRU-UHFFFAOYSA-N 228.295 2.797 0 40 BFAB Cc1ccc(-n2nnn(C(F)F)c2=S)cc1 529801 MRGNUYRFVLKXOA-UHFFFAOYSA-N 242.254 2.502 0 40 BFAB CCCCCNC(=O)Cc1ccc(OC)cc1 4151040 SLQDOAXYSIZYPS-UHFFFAOYSA-N 235.327 2.544 0 40 BFAB COC(=O)c1cccc2c1[C@H](O)c1ccccc1-2 4975114 VOMYSEVSNTUJNY-CQSZACIVSA-N 240.258 2.535 0 40 BFAB CCOc1ncccc1C(=O)Nc1ccccc1 5474933 XQOKSILXURGKOY-UHFFFAOYSA-N 242.278 2.733 0 40 BFAB Cc1cc(N)c(OCc2ccncc2)cc1C 5587454 CVLROTPFWLTRGB-UHFFFAOYSA-N 228.295 2.860 0 40 BFAB Cc1cc2ncn(CC(=O)OC(C)C)c2cc1C 11737077 HARPJFPACXUFKC-UHFFFAOYSA-N 246.310 2.605 0 40 BFAB C[C@@H](NC(=O)c1ccsc1)c1ccncc1 12539574 LOWRFHGGQPBERI-SECBINFHSA-N 232.308 2.634 0 40 BFAB O=C(C1CC1)N1CCCSc2ccccc21 12874439 SMJZQLQYJRMNPQ-UHFFFAOYSA-N 233.336 2.925 0 40 BFAB Cc1cccc(C(=O)N2C[C@H](C)O[C@H](C)C2)c1C 12978829 NZXUFRCDGTXOOL-TXEJJXNPSA-N 247.338 2.553 0 40 BFAB C[C@@H](NC(=O)c1ccco1)c1cccc(F)c1 13012446 WPCHGEWAFPPQTR-SECBINFHSA-N 233.242 2.910 0 40 BFAB Cc1cc(OC[C@H]2CCCCO2)ccc1N 14630796 XESSDOSKPBDTPW-GFCCVEGCSA-N 221.300 2.525 0 40 BFAB CC(C)NC(=S)N1CCC[C@H]2CCCC[C@@H]21 16575450 ZWENQMPVFYLITQ-NEPJUHHUSA-N 240.416 2.924 0 40 BFAB O=C(O)[C@H](c1ccccc1Cl)N1CCCC1 16771213 ITXFRQRMGXQCHZ-NSHDSACASA-N 239.702 2.562 0 40 BFAB Oc1nc(Cl)nc2cc(Cl)ccc12 26899501 WMEGBAASRUTYQN-UHFFFAOYSA-N 215.039 2.642 0 40 BFAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H]1C[C@H]1C 32975282 LJAPGMXRDZGHSK-JFGNBEQYSA-N 215.296 2.620 0 40 BFAB CN(Cc1ccco1)C(=O)C1CCCCC1 33028176 JGESWFYDDWCAJT-UHFFFAOYSA-N 221.300 2.818 0 40 BFAB CC(C)CN1CCc2[nH]c3ccc(N)cc3c2C1 45796188 LONYBNLBQLQHHF-UHFFFAOYSA-N 243.354 2.764 0 40 BFAB C[C@@H](CNC1CCCCC1)C(=O)OC(C)(C)C 47219028 UERQUXACXUAILL-NSHDSACASA-N 241.375 2.887 0 40 BFAB O=c1[nH]c(-c2ccsc2)nc2ccsc12 48622938 UIKCOPJSNNRYIY-UHFFFAOYSA-N 234.305 2.713 0 40 BFAB Cc1nnc(CN2CCC[C@H]2c2ccccc2)o1 54886575 RNWSEIWBUSQSKL-ZDUSSCGKSA-N 243.310 2.715 0 40 BFAB c1ccc([C@H]2CCCN2Cc2cccnc2)nc1 72381591 ZAWZYVFGUHBMQN-OAHLLOKOSA-N 239.322 2.814 0 40 BFAB COC(=O)CCC(=O)c1cc(Cl)ccc1C 74418863 YSXINCVDVVXXLT-UHFFFAOYSA-N 240.686 2.784 0 40 BFAB Cc1cc(C)n(Cc2cccnc2)c1C 78582780 DGXICWUQNGVJSM-UHFFFAOYSA-N 200.285 2.857 0 40 BFAB CCCCOc1cc(C(=O)O)cc(F)c1F 95732433 YJNMTIYLMPHUED-UHFFFAOYSA-N 230.210 2.842 0 40 BFAB COc1ccc(C)nc1NC(=O)C[C@@H]1C=CCC1 96445661 XRSWDBNAODVZQX-LLVKDONJSA-N 246.310 2.693 0 40 BFAB CC1CC(COc2ccc(CN)cc2)C1 96528394 RZBKPAVBOMSOAC-UHFFFAOYSA-N 205.301 2.570 0 40 BFAB CCOCCn1ccnc1-c1cccs1 97082656 PEUUSMCIFXYOJE-UHFFFAOYSA-N 222.313 2.648 0 40 BFAB CC(=O)CCC[C@@H](C)CO[C@H]1CCCCO1 98091025 QATYWYWXGPNTNI-YPMHNXCESA-N 228.332 2.925 0 40 BFAB CN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]2C=C[C@H]1C2 102265886 FWCLVNUNHDJRRS-SOUVJXGZSA-N 241.334 2.857 0 40 BFAB CCCC(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 102583161 ZXTNXYYKULGWJB-BJDJZHNGSA-N 209.333 2.727 0 40 BFAB Cc1nc(C)c(C(=O)Nc2cnccc2C)s1 104453223 QSJRAJOJCXJEAU-UHFFFAOYSA-N 247.323 2.716 0 40 BFAB C[C@H](O)CN[C@@H]1CCCC[C@H]1C(C)(C)C 131743598 JTAJUVKDCWLJQJ-QJPTWQEYSA-N 213.365 2.562 0 40 BFAB Cc1ccc([C@@H](NN)c2ccccc2)cc1C 161805894 VMCXHSRSLUQMQL-HNNXBMFYSA-N 226.323 2.856 0 40 BFAB CCCCC1=NN[C@H]2CC(C)(C)CC(=O)[C@H]12 228922490 GHKFVHGKBZXDRX-CMPLNLGQSA-N 222.332 2.510 0 40 BFAB CCn1cc(CNc2cnn(C(C)C)c2)c(C)n1 256054400 WCQLTDMADVVRME-UHFFFAOYSA-N 247.346 2.601 0 40 BFAB COc1cc(C(=O)[C@@H](C)Cl)cc(F)c1F 382674863 MCDMYECJSTTWSL-RXMQYKEDSA-N 234.629 2.783 0 40 BFAB CCc1cc(CO)c2cc(C)ccc2n1 685937665 WRWFZYZEQDBMTR-UHFFFAOYSA-N 201.269 2.598 0 40 BFAB Cc1cc2n[nH]cc2c(Br)c1C 1774020837 VOZOCXMYGXRZPF-UHFFFAOYSA-N 225.089 2.942 0 40 BFAB COC(=O)CCc1c[nH]c2cccc(C)c12 1857793180 ZRHWTSMDXFOPOR-UHFFFAOYSA-N 217.268 2.582 0 40 BFAB CC(C)(C)OC(=O)n1cnc2c(O)cccc21 1857794608 CTEPJLJZIFRDAI-UHFFFAOYSA-N 234.255 2.525 0 40 BFAB Cc1ccc(Nc2ncnc(C)c2F)cc1 1888863971 NMCYAYIRTHLLCP-UHFFFAOYSA-N 217.247 2.976 0 40 BFAB O=C(NCC1(c2ccsc2)CC1)C1CCC1 1888890371 FKAAFYRNBWEIKD-UHFFFAOYSA-N 235.352 2.696 0 40 BFAB Cn1c2c(c(=O)c3ccccc31)CCC(C)(C)O2 345714 ZMHAAVLGKGXDBY-UHFFFAOYSA-N 243.306 2.642 0 40 BFAB biogenic CC[C@@H]1SC=C(c2ccccc2)NC1=O 1752231 UVICDEPJMYHVNT-NSHDSACASA-N 219.309 2.627 0 40 BFAB O=C(C[C@@H]1OC(=O)c2ccccc21)c1ccco1 2445008 QSZOMNJRXBXAMM-ZDUSSCGKSA-N 242.230 2.764 0 40 BFAB COC(=O)CCC(=O)C/C=C/Cc1ccccc1 3845489 NVTLHCWZEDNHAB-AATRIKPKSA-N 246.306 2.698 0 40 BFAB c1ccc2c(N3CCOCC3)cccc2c1 4244890 VCFXHOIHPGPHMF-UHFFFAOYSA-N 213.280 2.676 0 40 BFAB CC(=O)c1c(Nc2ccccc2)oc(C)cc1=O 6659627 BSPXJDOZHUUCLT-UHFFFAOYSA-N 243.262 2.894 0 40 BFAB COc1ccccc1NC(=O)OCC(F)(F)F 9256642 BUJPILRLKDZPEJ-UHFFFAOYSA-N 249.188 2.806 0 40 BFAB CCc1cccc(NC(=O)[C@@H](C)n2cccn2)c1 12876931 OVHVWSADUBTFGW-LLVKDONJSA-N 243.310 2.645 0 40 BFAB CCCCCC(=O)c1ccc(OCCO)cc1 19075598 REVSGMZVFVGRMV-UHFFFAOYSA-N 236.311 2.821 0 40 BFAB CC[C@H](C)C(=O)Nc1nc(C)c2c(n1)CCCC2 32899108 HTIHYANVEGKYGP-VIFPVBQESA-N 247.342 2.648 0 40 BFAB C[C@H]1CCCCN1c1cc(Cl)ncn1 40422435 OUMAMNHWQNPJHE-QMMMGPOBSA-N 211.696 2.509 0 40 BFAB CCCCNC(=O)CCCOc1ccccc1 47464397 BSMVCQWAJPHIRI-UHFFFAOYSA-N 235.327 2.762 0 40 BFAB Cc1nnc(CN2CCC[C@H]2c2ccsc2)o1 48253147 YFAMTESQNGGCNB-NSHDSACASA-N 249.339 2.777 0 40 BFAB O=C(c1ccc2ccccc2n1)C1CCOCC1 69309213 AVRDTMJAHJGCDO-UHFFFAOYSA-N 241.290 2.844 0 40 BFAB C[C@@H](c1nnc(-c2cccs2)o1)N1CCCC1 69369647 OFGYISGUABSOCC-VIFPVBQESA-N 249.339 2.955 0 40 BFAB Cc1cc([C@H]2CCCCN2C=O)cnc1Cl 72217813 ZRIKKAMWHLXFOT-LLVKDONJSA-N 238.718 2.727 0 40 BFAB CCCN1CCC[C@H]1c1cnc(O)cc1C 72218142 ZFEMYJOQQHGSKV-LBPRGKRZSA-N 220.316 2.643 0 40 BFAB CCO[C@@H]1C[C@@H](N(C)Cc2ccccn2)C1(C)C 84800739 RLNORTZEIPICSK-ZIAGYGMSSA-N 248.370 2.717 0 40 BFAB C[C@H](NCCSC(C)(C)C)C1CCOCC1 89516267 KAGJBACSOOFKLX-NSHDSACASA-N 245.432 2.923 0 40 BFAB O=C(C1CCCCCC1)N1CCSCC1 89818853 OXIKRMBWCFTKRC-UHFFFAOYSA-N 227.373 2.532 0 40 BFAB C[C@H](SCCc1ccccc1)C(=O)NC1CC1 95431608 BLDYTTQVXBMCCM-NSHDSACASA-N 249.379 2.629 0 40 BFAB CSc1ccc([C@H](O)c2cccn2C)cc1 95727926 LUVGEXFDMBRARY-ZDUSSCGKSA-N 233.336 2.829 0 40 BFAB CCC[C@@](C)(O)c1cc(F)ccc1OC 95739305 QTHSZWNPCKOTIO-GFCCVEGCSA-N 212.264 2.842 0 40 BFAB Cc1ccnc(NC(=O)NCc2cccs2)c1 97372778 KRHBSCFKBIBNGO-UHFFFAOYSA-N 247.323 2.773 0 40 BFAB CC(=O)CC(=O)c1ccc(Br)s1 100238265 JXDALOQSBZBJTM-UHFFFAOYSA-N 247.113 2.672 0 40 BFAB CCc1nc(SCc2cccc(F)c2)n[nH]1 198748321 VCJHNPJJTQZKBB-UHFFFAOYSA-N 237.303 2.799 0 40 BFAB Cc1cccnc1CC1CCC(=O)CC1 205697709 QCLDIEJNTRUMBQ-UHFFFAOYSA-N 203.285 2.692 0 40 BFAB CCOC(=O)[C@H]1C[C@@H]1c1ccc(OCC)cc1 211384131 JYVZBDDTALZENF-OLZOCXBDSA-N 234.295 2.752 0 40 BFAB Cc1cccc(N[C@@H]2CCCC[C@H]2N)c1C 218864034 AOGHWPXCEZQQLB-TZMCWYRMSA-N 218.344 2.985 0 40 BFAB O=c1[nH]c2c(s1)C=C1[C@H]3CC[C@@H](C3)[C@@H]1S2 222225161 QBGACPFAZOJJRC-WATHFIQWSA-N 237.349 2.724 0 40 BFAB CCCC[C@H]1CC[C@H](C(CO)CO)CC1 248272258 QNSCHGZMOVVKCW-HAQNSBGRSA-N 214.349 2.584 0 40 BFAB C[C@@H](Oc1cccc(Br)c1)[C@H]1CO1 256053370 RDXVBICGWDNSOB-GMSGAONNSA-N 243.100 2.615 0 40 BFAB COc1ccccc1C(=S)NCc1ccco1 408576395 XTZZFPAIYNIWKX-UHFFFAOYSA-N 247.319 2.754 0 40 BFAB Cn1cc(Cl)c(COCCC(F)(F)F)n1 408716106 IXUCLGIAXJMESA-UHFFFAOYSA-N 242.628 2.543 0 40 BFAB O=C(O)c1ccc(Sc2ccccn2)cc1 1503423 ZBGAGYNJDAOUCU-UHFFFAOYSA-N 231.276 2.931 0 40 BFAB in-vitro Cc1ccc(C)c(CCCCS(=O)(=O)O)c1 1641131 GTUIMYRSBRZAPB-UHFFFAOYSA-N 242.340 2.514 0 40 BFAB C(CCCC1=NCCO1)CCCC1=NCCO1 1722068 GTDJVZJYTLJKAB-UHFFFAOYSA-N 238.331 2.575 0 40 BFAB CC(C)CN(CC(C)C)C(=S)S 1841362 CBQPQMSTIARRSA-UHFFFAOYSA-N 205.392 2.815 0 40 BFAB CCSCCOCCOCCSCC 2573084 XFEYIZHMASOGJO-UHFFFAOYSA-N 238.418 2.526 0 40 BFAB CCCNC(=O)Nc1nc2ccccc2s1 2668860 XYONTECNGQBAIV-UHFFFAOYSA-N 235.312 2.828 0 40 BFAB CC(C)CCC[C@@H](O)CNCc1ccccc1 5962612 SCSXIQNUPXDCRG-OAHLLOKOSA-N 235.371 2.963 0 40 BFAB COC(=O)Cc1c[nH]c2cccc(Cl)c12 5997103 SYPGJEURLIGNPE-UHFFFAOYSA-N 223.659 2.537 0 40 BFAB endogenous,in-man COCc1ccc(C(=O)NC2CCCC2)cc1 7525398 KEVKZXQOUZWCGF-UHFFFAOYSA-N 233.311 2.505 0 40 BFAB CCC[C@@H](Nc1ccc(C)c(C)c1)C(=O)O 8702819 CFQXATOMIWRBLZ-GFCCVEGCSA-N 221.300 2.969 0 40 BFAB CC[C@H](C)C(=O)Nc1ccc(C)cc1N 8703504 DIGXBPPAWKOBTB-VIFPVBQESA-N 206.289 2.562 0 40 BFAB Cc1ccccc1[C@H]1CC(=O)c2cn[nH]c2C1 10156789 WTNMYJZHMMPJMG-SNVBAGLBSA-N 226.279 2.631 0 40 BFAB Clc1c2c(nc3ncccc13)CCC2 11919730 BQSMYGSITMSMRA-UHFFFAOYSA-N 204.660 2.772 0 40 BFAB Cc1nc2c(O)nnc(-c3ccccc3)c2s1 11919842 HQXKZACFHBMHSG-UHFFFAOYSA-N 243.291 2.767 0 40 BFAB CC12CN3CC(C)(CN(C1)C3c1cccs1)C2 19324166 AXSULNBQGJAEOG-UHFFFAOYSA-N 248.395 2.794 0 40 BFAB COC(=O)/C=C/c1ccc(OC(C)C)cc1 20133924 NGBATVLNQVAVQM-RMKNXTFCSA-N 220.268 2.660 0 40 BFAB Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2C)cc1N 22163501 YYGFAZHNTCCNPX-BXUZGUMPSA-N 246.354 2.886 0 40 BFAB Nc1nc(Cl)nc2ccc(C(F)(F)F)cc12 26899426 DPZVSYGAXMPMBU-UHFFFAOYSA-N 247.607 2.884 0 40 BFAB OCc1cn2c(n1)sc1cc(Cl)ccc12 34409459 DSTTYPFMKAGFDF-UHFFFAOYSA-N 238.699 2.695 0 40 BFAB Nc1ccc(C(=O)O)cc1OCc1ccccc1 37289559 PWBOPGGFQRJTMA-UHFFFAOYSA-N 243.262 2.546 0 40 BFAB CC(=O)NCc1ccnc(Oc2ccccc2)c1 40534525 LHXWWONLHYOWJB-UHFFFAOYSA-N 242.278 2.510 0 40 BFAB CCN(CC)C(=O)C1(c2ccccc2)CC1 41501319 GZRLXVALQIMSFP-UHFFFAOYSA-N 217.312 2.587 0 40 BFAB CC(=O)N1CCC[C@@H]1c1ccc(F)cc1 42026852 BJAMWJPPUROTGA-GFCCVEGCSA-N 207.248 2.509 0 40 BFAB CC[C@@H](C)C(=O)NCCCc1ccccc1 44895764 AIMDRQSGPAJVJH-GFCCVEGCSA-N 219.328 2.782 0 40 BFAB COc1cccc(C(=O)c2cccc(Cl)c2)n1 45028726 KJTVXHXVASZGCD-UHFFFAOYSA-N 247.681 2.975 0 40 BFAB FC(F)(F)c1csc([C@@H]2CCCNC2)n1 53252322 IOUDERHQXUUISM-ZCFIWIBFSA-N 236.262 2.629 0 40 BFAB in-vitro Cc1occc1C(=O)N(C)C1CCCCC1 53574216 XKCTVZIAYZJSHW-UHFFFAOYSA-N 221.300 2.993 0 40 BFAB Cc1cc(CN2CC[C@H](c3ccccc3)C2)on1 65504195 ORWWPLFSZLYNOU-AWEZNQCLSA-N 242.322 2.973 0 40 BFAB Fc1ccccc1OCc1cccnc1 70250505 IRQADERRRQEUAH-UHFFFAOYSA-N 203.216 2.800 0 40 BFAB Cn1cc([C@H]2CCCN2Cc2ccccc2)cn1 71799196 BYJRDTHCPBQFKG-OAHLLOKOSA-N 241.338 2.757 0 40 BFAB CC[C@@H](C(=O)O[C@@H]1CCOC1)c1ccccc1 71883882 LPUSOKKFKZYVIZ-CHWSQXEVSA-N 234.295 2.512 0 40 BFAB CCCCN1CCC[C@@H]1c1ccc(N)nc1 72212367 XKIBTYGERLIZDW-GFCCVEGCSA-N 219.332 2.601 0 40 BFAB C[C@@H](O)c1ccc(OCc2ccccc2)nc1 72225388 FVVJYODQMHMRQE-LLVKDONJSA-N 229.279 2.714 0 40 BFAB CC(C)CC(=O)Nc1cccc2[nH]ncc12 82277262 IWKAWJCXMFNRJC-UHFFFAOYSA-N 217.272 2.548 0 40 BFAB C/C(I)=C/C(F)(F)F 83293004 FUJZKLJZJYRSNP-IHWYPQMZSA-N 235.974 2.888 0 40 BFAB CC(C)(C)NC(=O)CSc1cccc(F)c1 84842219 LDPMLYYNMNMEJM-UHFFFAOYSA-N 241.331 2.833 0 40 BFAB NCc1cc(C(F)(F)F)cc2[nH]ccc12 89204502 HMZOZPLVLJIYIJ-UHFFFAOYSA-N 214.190 2.645 0 40 BFAB FC(F)(F)c1ccc(N2CCCC2)cn1 95081427 MSEBFDYJHTVPMY-UHFFFAOYSA-N 216.206 2.701 0 40 BFAB CCOC(=O)[C@@H]1CCC[C@@H]1NC1CCCCC1 95919669 IUMVOSJRWKNYJX-OLZOCXBDSA-N 239.359 2.641 0 40 BFAB CCOC(=O)[C@@H]1[C@H]2C[C@@H]3[C@@H](C[C@@]21C)C3(C)C 104051739 CQYRNURWODAYGR-YBRCUDMCSA-N 222.328 2.868 0 40 BFAB CCC(=O)N[C@@H](CC)c1ccc(OC)c(C)c1 225283820 ZTOUEJBSJBNORP-LBPRGKRZSA-N 235.327 2.981 0 40 BFAB COC(=O)CCc1ccc(Cl)cc1F 228907374 FTXDGLDHJOIACN-UHFFFAOYSA-N 216.639 2.585 0 40 BFAB CCON(CC)c1ccc(C=O)c(CC)c1 230521779 LGMVXNDGFYMMOP-UHFFFAOYSA-N 221.300 2.839 0 40 BFAB Cc1ccc(N(C)[C@H](C)C(=O)O)cc1Cl 260679510 PPQQQNLLJGORFS-MRVPVSSYSA-N 227.691 2.558 0 40 BFAB Cc1ccccc1Nc1ncc(C)c(O)n1 408981738 WOEMADBAKYGARY-UHFFFAOYSA-N 215.256 2.543 0 40 BFAB O=C(c1ccc(F)cc1Cl)C(F)F 575243001 RPBYWFYRLPZFJT-UHFFFAOYSA-N 208.566 2.927 0 40 BFAB CC(C)(C)OC(=O)N1CCC12CCC(=O)CC2 953101439 BSXLFLVQYIITLZ-UHFFFAOYSA-N 239.315 2.509 0 40 BFAB O=C1OC(c2ccco2)=N/C1=C/c1ccccc1 292990 DGCSPWXMYPBBSW-PKNBQFBNSA-N 239.230 2.624 0 40 BFAB CSc1ccc(NC(=O)C(F)(F)F)cc1 1680577 PIOWWZZCIZDYHI-UHFFFAOYSA-N 235.230 2.909 0 40 BFAB CN(CC(=O)C(C)(C)C)c1ccccc1 1761319 MCOWYXNHOPZOTK-UHFFFAOYSA-N 205.301 2.738 0 40 BFAB Cc1ccc(O)c([C@H](O)Cc2ccccc2)c1 3846806 XVHVFGAHLNQIBO-OAHLLOKOSA-N 228.291 2.977 0 40 BFAB biogenic CC1(C)CCCOc2ccc(C(=O)O)cc21 4974559 VRWBQCZXYJBZMO-UHFFFAOYSA-N 220.268 2.835 0 40 BFAB C[C@@H]1CCCC[C@@H]1Nc1nnc(S)s1 6382219 VPEXGPZGXPUORY-RQJHMYQMSA-N 229.374 2.817 0 40 BFAB in-vitro Cc1ccc2c(c1)sc1n[nH]c(=S)n12 17107701 PNCWBLPFJAQSMI-UHFFFAOYSA-N 221.310 2.915 0 40 BFAB OC1=Nc2n[nH]cc2[C@@H](c2cccc(F)c2)C1 31809133 WSZHWYIMNDGGST-SECBINFHSA-N 231.230 2.672 0 40 BFAB CC[C@@H](N)Cc1ccccc1Br 36778810 ZBDCBONPLNNBMS-SECBINFHSA-N 228.133 2.729 0 40 BFAB in-vitro CCOC(=N)Cc1ccc(C)c(OC)c1 39105621 MNSPBUIFXLDFJM-UHFFFAOYSA-N 207.273 2.560 0 40 BFAB OCc1c(Cl)cccc1C(F)(F)F 39712932 AIXZCUCSYPVDQR-UHFFFAOYSA-N 210.582 2.851 0 40 BFAB in-vitro O=C(O)c1ccc(OCC(F)F)c(Cl)c1 42393405 BHOLZWMBJAQGHQ-UHFFFAOYSA-N 236.601 2.682 0 40 BFAB CC(C)Cc1noc(CN2CCC[C@H](C)C2)n1 42665634 ZGOVAMWMOVGFGE-NSHDSACASA-N 237.347 2.500 0 40 BFAB COc1ccc(C(F)(F)F)nc1Cl 47218624 CBYYYYRJKKWLDI-UHFFFAOYSA-N 211.570 2.762 0 40 BFAB in-vitro CCNC(=O)[C@@H](C)Oc1cccc(C(C)C)c1 48374716 WSHBOENTYOWABA-LLVKDONJSA-N 235.327 2.713 0 40 BFAB N=C(NCc1cccs1)Nc1ccccc1 52047038 UZWJNPKBCPOMMH-UHFFFAOYSA-N 231.324 2.885 0 40 BFAB COCCN(Cc1ccccc1)Cc1ccco1 53420189 GTDZLQMGTAURCF-UHFFFAOYSA-N 245.322 2.928 0 40 BFAB CSCc1nc2ccccc2nc1C 59352178 XIQXDTDLCHMYIL-UHFFFAOYSA-N 204.298 2.801 0 40 BFAB C[C@@H](N)c1cc(F)c(Br)cc1F 70022561 IEZQFLGEDIUYHZ-SCSAIBSYSA-N 236.059 2.747 0 40 BFAB c1cnc(N2CCCCCC2)c([C@@H]2CCCN2)c1 72216684 MLXHPLPDIPSZHQ-AWEZNQCLSA-N 245.370 2.887 0 40 BFAB c1cc2cc([C@H]3CCCCN3)ccc2[nH]1 72221745 HAPNRTBFEOJKDK-GFCCVEGCSA-N 200.285 2.983 0 40 BFAB CC[C@@H](N)c1cnc(N(CC)CC)cc1C 72223269 PUDSIXDVBRSWMK-GFCCVEGCSA-N 221.348 2.646 0 40 BFAB CC[C@H](O)c1ccc(N2CCCCC2)nc1C 72224546 JMFZEMNZCMDISL-ZDUSSCGKSA-N 234.343 2.824 0 40 BFAB CCN(C)c1ccc([C@H](O)c2ccccc2)cn1 72225241 NNHUOAAQTQRFQQ-OAHLLOKOSA-N 242.322 2.619 0 40 BFAB Cc1cc(-c2ccc(C=O)cc2)sn1 91695998 UOLOGZKZHHDENS-UHFFFAOYSA-N 203.266 2.931 0 40 BFAB CCC(O)(CC)c1cc(F)c(F)c(OC)c1 95739407 XTCWPLCUTXAOOB-UHFFFAOYSA-N 230.254 2.981 0 40 BFAB CCCC[C@@H]1CCC[C@H]1NC(=O)[C@H](C)OCC 107350302 LWVSAJAAMVUGDI-YNEHKIRRSA-N 241.375 2.887 0 40 BFAB Cc1ccnc(NN2[C@H](C)CCC[C@H]2C)c1 116937329 NRXATBCOCMMMEF-VXGBXAGGSA-N 219.332 2.980 0 40 BFAB Cc1c(N)cccc1-c1noc(-c2ccco2)n1 140296696 GQQUVBLDWKCXQX-UHFFFAOYSA-N 241.250 2.887 0 40 BFAB COCC(=O)c1c(Cl)cccc1Cl 229180024 MLKAIOMISZGDJL-UHFFFAOYSA-N 219.067 2.823 0 40 BFAB c1ccc(-c2cccc(C[C@@H]3CCNC3)n2)cc1 257229923 GAAAPWDFVBVJGN-ZDUSSCGKSA-N 238.334 2.901 0 40 BFAB c1ccc(-c2n[nH]c(=NC3CCCCC3)o2)cc1 521395775 KFKBPCLPKHRJLS-UHFFFAOYSA-N 243.310 2.903 0 40 BFAB CCC(C)(C)C(=O)N1CCC(F)(F)CC1 684520290 RVBJMWPZYCAQMD-UHFFFAOYSA-N 219.275 2.680 0 40 BFAB COc1cccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c1 284701 AKECETWCFXSJHA-RYUDHWBXSA-N 247.338 2.813 0 40 BFAB CC(=O)OC[C@]12CC=C(C)[C@H]([C@H](C)OC1)[C@@H]2C 1321613 KSCMOJQRHWGLDT-IMIFBBOLSA-N 238.327 2.557 0 40 BFAB biogenic CSc1ccc(N2C(=O)CSC2=O)cc1 1560674 NTLPUJWKKSAFHD-UHFFFAOYSA-N 239.321 2.608 0 40 BFAB CC(=O)CCc1ccc2c(c1)N[C@@H](C)CC2 3844779 OGXFQVAAAKDQJP-JTQLQIEISA-N 217.312 2.955 0 40 BFAB biogenic CC(C)(C)NC(=O)c1cccc2c1OC(C)(C)C2 4668710 FPADGSJUHCKNND-UHFFFAOYSA-N 247.338 2.928 0 40 BFAB O=C(OCCc1ccccc1)[C@@H]1C[C@@H]2C=C[C@H]1C2 4775025 XKOYSRHHVYJVSY-QLFBSQMISA-N 242.318 2.985 0 40 BFAB c1ccn(C2=N[C@H]3CCCC[C@H]3S2)c1 5778532 MDJDOMNMMJBWML-VHSXEESVSA-N 206.314 2.750 0 40 BFAB COc1ccc(CNC(=O)[C@H]2CC=CCC2)cc1 7969443 VXTYLFGZSRXHMK-ZDUSSCGKSA-N 245.322 2.668 0 40 BFAB Cc1ccc(C)c(NC(=O)c2cc(C)no2)c1 8769098 KJQNUKUOJMTPEU-UHFFFAOYSA-N 230.267 2.852 0 40 BFAB Nc1ccc(-c2nc3cccnc3s2)cc1 11535846 IVSNYGRJULLELG-UHFFFAOYSA-N 227.292 2.941 0 40 BFAB in-vitro CCCCn1c(S)nnc1-c1ccc(O)cc1 13533904 QSLOOMLUUMTMFV-UHFFFAOYSA-N 249.339 2.740 0 40 BFAB CC(C)Oc1ccc(N)c2cccnc12 19772632 BESUNSXYPVOFSM-UHFFFAOYSA-N 202.257 2.604 0 40 BFAB CC(=O)N[C@H](C)c1cc2ccccc2o1 23927558 WSYPVWZYSIODQX-MRVPVSSYSA-N 203.241 2.630 0 40 BFAB CCc1ccc(C(=O)NCc2cccs2)o1 24845453 AXXXKLHGVUMYKI-UHFFFAOYSA-N 235.308 2.834 0 40 BFAB COCC(=O)N[C@H](C)c1ccc2ccccc2c1 27319519 NPIBTYVWVKVQAF-LLVKDONJSA-N 243.306 2.663 0 40 BFAB Cc1c(N)cccc1C(=O)c1ccccc1 32012509 NHTALIXIQROOBT-UHFFFAOYSA-N 211.264 2.808 0 40 BFAB CCN(C(=O)c1cc(C)oc1C)C1CC1 32760920 LRRGYNKTZBGMFQ-UHFFFAOYSA-N 207.273 2.521 0 40 BFAB C[C@@H](C(=O)O)C1CCN(Cc2ccccc2)CC1 33487596 COVLHGVAWGONRH-GFCCVEGCSA-N 247.338 2.619 0 40 BFAB CC(C)[C@@H](C)NC(=O)c1cc2ccccc2[nH]1 35148689 GERDOICYIBKCFU-SNVBAGLBSA-N 230.311 2.942 0 40 BFAB CCOc1ccc2ncnc(Cl)c2c1 35270041 GNWPZLGHHNOKML-UHFFFAOYSA-N 208.648 2.682 0 40 BFAB in-vitro CC[C@@H](C)c1cnc(Cc2ccccc2)c(=O)[nH]1 36375186 BCOZUEQERBFXTL-LLVKDONJSA-N 242.322 2.874 0 40 BFAB biogenic,in-vitro CCN(C(=O)c1cc(N)ccc1Cl)C(C)C 37081498 ZIOOQQJCBHIGRE-UHFFFAOYSA-N 240.734 2.793 0 40 BFAB in-vitro C=CC(=O)Nc1ccc(-c2nccs2)cc1 37789859 UAMBCGPKLQBFIK-UHFFFAOYSA-N 230.292 2.935 0 40 BFAB CCOC(=O)[C@@H]1C[C@H](C(C)(C)C)CCC1=O 39416296 JHTDFSYUZRZZBQ-NXEZZACHSA-N 226.316 2.581 0 40 BFAB in-vitro COc1ccc(CC[C@@H]2CCCNC2)cc1 41232928 SHUJREMIZRVVFI-ZDUSSCGKSA-N 219.328 2.627 0 40 BFAB OCC1CCN(Cc2ccc(Cl)s2)CC1 46091422 QMMHOLPWJSUNLC-UHFFFAOYSA-N 245.775 2.606 0 40 BFAB COc1cccc(CNc2ncccc2F)c1 54700630 KXIKBZUOXHEOBS-UHFFFAOYSA-N 232.258 2.841 0 40 BFAB CCN1CCC[C@@H]1c1cc(OC)ccc1OC 57621050 RJDHXOWPLVSCDD-CYBMUJFWSA-N 235.327 2.861 0 40 BFAB Cc1cc(O[C@@H](C)C(=O)N(C)C)ccc1Cl 61125827 JFYRCVLCSBMANX-VIFPVBQESA-N 241.718 2.504 0 40 BFAB C/C=C/CSCc1ccc(C(N)=O)cc1 78714469 MGBVNWDURPPWQH-NSCUHMNNSA-N 221.325 2.595 0 40 BFAB CC(C)Sc1ccc(OCCN)cc1 82595182 OAZUPYNQMAZEQJ-UHFFFAOYSA-N 211.330 2.525 0 40 BFAB Cc1c(Br)cccc1[C@@H](C)N 83592011 RRAICCSPOPJDTO-SSDOTTSWSA-N 214.106 2.777 0 40 BFAB CSc1nc(Cl)c2c(n1)CCS2 95081345 AJXJCHRCLIWVKW-UHFFFAOYSA-N 218.734 2.500 0 40 BFAB O=C(c1ccncc1)c1coc2ccc(O)cc12 95094134 ORGHYFLRKFPXBF-UHFFFAOYSA-N 239.230 2.764 0 40 BFAB C[C@@H](Nc1cnn(CC(F)F)c1)C(C)(C)C 95991586 LPWHHSPGBQJKKP-MRVPVSSYSA-N 231.290 2.995 0 40 BFAB C[C@@H](CO)Sc1ccc(Br)cc1 96509893 LVEFQDWYMQJNAY-ZETCQYMHSA-N 247.157 2.922 0 40 BFAB O=C(O)C1[C@@H]2c3cccc4cccc(c34)[C@@H]12 100503091 QSNDUDCESDFEPC-VXGBXAGGSA-N 210.232 2.735 0 40 BFAB CCOC(=O)c1ccc(C)nc1-c1cccnc1 199567975 PQJWFAXCGVLROX-UHFFFAOYSA-N 242.278 2.629 0 40 BFAB CC[C@@H](C(=O)O)N(C)c1cc(Cl)ccc1C 224992376 IEEQCLSYHSTFPD-JTQLQIEISA-N 241.718 2.948 0 40 BFAB CC[Si](CC)(CC)c1ccncc1O 238275662 BQKRRQSDDQMCJY-UHFFFAOYSA-N 209.365 2.503 0 40 BFAB CCOC[C@H](C)N[C@H](C)[C@H]1COc2ccccc21 245338844 OWDFZDKWYLCZHR-OUCADQQQSA-N 249.354 2.566 0 40 BFAB Cc1cnn(CCF)c1NCc1ccccc1 256050159 CYUWGSXSZQVXJK-UHFFFAOYSA-N 233.290 2.773 0 40 BFAB Cc1cn(CCF)nc1NCc1cccs1 256051106 HSXIMANPYFGGJG-UHFFFAOYSA-N 239.319 2.835 0 40 BFAB COC(=O)CCCCC(=O)c1ccc(C)s1 382675247 NQJATEQWCLCDSF-UHFFFAOYSA-N 240.324 2.973 0 40 BFAB Cc1nc2cc(C(=O)N3CCCC3)ccc2s1 408975932 DAZRPPHSLNNIJQ-UHFFFAOYSA-N 246.335 2.841 0 40 BFAB CCCn1cnc(CNCc2ccccc2)c1 575415163 VHCRSXUYKDXATA-UHFFFAOYSA-N 229.327 2.583 0 40 BFAB CC(C)n1cc(Cl)c(Br)n1 953057383 QRBJPVQTWVFIPQ-UHFFFAOYSA-N 223.501 2.880 0 40 BFAB Cc1ncnc(Nc2cccc(F)c2)c1F 1888864208 QKCHSWGOFPDMFL-UHFFFAOYSA-N 221.210 2.807 0 40 BFAB Cc1cnc(SCCc2ccncc2)nc1C 58920 SASUSOGJQIYDBQ-UHFFFAOYSA-N 245.351 2.823 0 40 BFAB CC[C@H]1CN(Cc2ccccc2)C[C@]1(C)C(=O)O 2547061 OCPFMYCAURBSJX-ZFWWWQNUSA-N 247.338 2.619 0 40 BFAB CC[C@@H](CC[C@@H](C)O)C[C@@H]1CCCO1 4087619 WRDHXNUNGYABFV-WOPDTQHZSA-N 200.322 2.743 0 40 BFAB c1ccc2sc(CSc3ncn[nH]3)nc2c1 6455406 PPGFELFQDRXZGM-UHFFFAOYSA-N 248.336 2.707 0 40 BFAB CC[C@H]1CSC(NCc2cccs2)=N1 13148014 HDKLAJUVWNZIEK-QMMMGPOBSA-N 226.370 2.719 0 40 BFAB Cc1ccc(OCCN2CCCC[C@H]2C)c(N)c1 13992570 HRPDBBKHZCQZKW-CYBMUJFWSA-N 248.370 2.830 0 40 BFAB CN(C)Cc1ccc(-c2ccccc2CN)cc1 15544681 HKNWTQBRDQXKPW-UHFFFAOYSA-N 240.350 2.874 0 40 BFAB Fc1ccccc1OCC[C@@H]1CCCCN1 20438977 SHEZQAKQJPZKNH-NSHDSACASA-N 223.291 2.737 0 40 BFAB COC(=O)c1c(Cl)[nH]c2ccccc12 26895950 YODYXZOJWGXFSQ-UHFFFAOYSA-N 209.632 2.608 0 40 BFAB CCCSc1cc(C(N)=O)c2ccccc2n1 32907159 RPFWHZRBIYQAEV-UHFFFAOYSA-N 246.335 2.836 0 40 BFAB CCc1nc2ccccc2n1C1CCNCC1 36261438 IGBQZVHOCJOZRS-UHFFFAOYSA-N 229.327 2.523 0 40 BFAB in-vitro O=C(c1ccsc1)[C@@H](O)c1ccsc1 36439231 SCZZSZQLTIZGQT-VIFPVBQESA-N 224.306 2.726 0 40 BFAB in-vitro c1ccc2c([C@@H]3CNCCO3)cccc2c1 37405064 VYTVKXRSPYRGLI-AWEZNQCLSA-N 213.280 2.501 0 40 BFAB CCC[C@@H](C)Nc1ccc(C(=O)O)cc1N 37930253 PCXUMGCVVFTHIX-MRVPVSSYSA-N 222.288 2.568 0 40 BFAB CCOc1c(F)cc(/C=C/C(=O)O)cc1Cl 38529996 FKKGAVCSYHKMOK-ONEGZZNKSA-N 244.649 2.976 0 40 BFAB CCOC(=O)[C@@H](CC(C)C)n1cccc1 40488290 ZQQLFDUELNLZPT-LLVKDONJSA-N 209.289 2.638 0 40 BFAB Cc1ncsc1C(=O)Nc1cccc(F)c1 40529064 JXUNODOYZQPXIV-UHFFFAOYSA-N 236.271 2.843 0 40 BFAB CCCCCNc1ccc(N)cc1C(=O)OC 41080715 PAWLZJVKOQICGQ-UHFFFAOYSA-N 236.315 2.658 0 40 BFAB CN(CC1CCCCC1)c1cc(C(=O)O)ccn1 42495529 IWNADJGXNBHFEQ-UHFFFAOYSA-N 248.326 2.796 0 40 BFAB COc1ccccc1Cc1nsc(Cl)n1 47218910 VTYIXTRKPZXOHP-UHFFFAOYSA-N 240.715 2.791 0 40 BFAB Cc1ccc(C(=O)N2CCC[C@H]2c2ccc[nH]2)o1 48687319 DLDCHCLKDLGHPD-LBPRGKRZSA-N 244.294 2.893 0 40 BFAB CC(C)(C)c1n[nH]cc1CNCc1ccoc1 49021270 TVIWRRWLBLDBAG-UHFFFAOYSA-N 233.315 2.590 0 40 BFAB Fc1cccc(-c2nc3c(s2)CNCC3)c1 53335637 DLVSCFNXUMTMGB-UHFFFAOYSA-N 234.299 2.595 0 40 BFAB COc1cc(-c2ccc(C)c(C)c2)ncn1 67740498 NJCLNHADPKCFPV-UHFFFAOYSA-N 214.268 2.769 0 40 BFAB CC(C)(C)c1noc(CN2CCCCCC2)n1 71186155 MLQWPFWPDJSISV-UHFFFAOYSA-N 237.347 2.743 0 40 BFAB Cc1nccc(C(=O)OC[C@@H]2CC=CC[C@@H]2C)n1 79790600 BURHNMUPWULKKC-JQWIXIFHSA-N 246.310 2.544 0 40 BFAB COC(=O)CCC(=O)c1ccc(F)c(Cl)c1 84199179 UXKCMZFJNAJBKY-UHFFFAOYSA-N 244.649 2.615 0 40 BFAB CCC[C@H](CCCNC(C)(C)C)OC 85396263 PRKUXEKTWMLBRF-LLVKDONJSA-N 201.354 2.970 0 40 BFAB O=C(c1cc(F)cc(F)c1)c1nccs1 95728253 QQKPHUJQJGXVPD-UHFFFAOYSA-N 225.219 2.652 0 40 BFAB CCC[C@@H](NCc1ccn(C)c1)C1CC1 95975465 BDWQLGNRHBPJBP-CYBMUJFWSA-N 206.333 2.693 0 40 BFAB COCCN[C@@H](C)c1cccc(N2CCCC2)c1 95985990 IKOOJUJVGPUROU-ZDUSSCGKSA-N 248.370 2.584 0 40 BFAB CC(C)(C)OCCn1ccnc1-c1ccncc1 96501938 XBMGWIFZAFMPLN-UHFFFAOYSA-N 245.326 2.760 0 40 BFAB Oc1cc(Cl)c(N2CCOCC2)c(Cl)c1 96511758 ROBZLMROLACZGY-UHFFFAOYSA-N 248.109 2.536 0 40 BFAB CO[C@H](C)c1nc(N)cc(-c2ccc(C)cc2)n1 96529226 DHMWXXOMJMCASB-SNVBAGLBSA-N 243.310 2.742 0 40 BFAB COc1c(C(F)(F)F)ccc(F)c1C=O 97439002 WSAFWPPEIBJEHG-UHFFFAOYSA-N 222.137 2.666 0 40 BFAB O=c1[nH]c2c(s1)C=C1[C@@H]3CC[C@H](C3)[C@H]1S2 101262340 QBGACPFAZOJJRC-HCVRKRLWSA-N 237.349 2.724 0 40 BFAB CCOC(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 102064288 KPSNZBHCVXBRQF-NAKRPEOUSA-N 211.305 2.557 0 40 BFAB COc1cccc(CN2C[C@H]3CCC[C@@H]3C2)c1 154325688 DTQJERQLXVUJAM-ZIAGYGMSSA-N 231.339 2.927 0 40 BFAB CSCCCN(C)C(=O)N[C@H](C)C(C)(C)C 252492113 MDDNTAQWUCJFSF-SNVBAGLBSA-N 246.420 2.816 0 40 BFAB Cc1c(Br)ncn1C(C)C 408715845 FQNGDFHVKXSLEH-UHFFFAOYSA-N 203.083 2.535 0 40 BFAB CC(=O)OCC(=O)c1ccc(C)c2ccccc12 575358357 HYSKDODUGOCMAQ-UHFFFAOYSA-N 242.274 2.894 0 40 BFAB c1csc(-c2nc(N3CCCCC3)no2)c1 171546 IAJOEQNWEYPADK-UHFFFAOYSA-N 235.312 2.788 0 40 BFAB c1cnc2c(c1)C[n+]1c-2sc2ccccc21 501586 UFSJWULWPQTUIH-UHFFFAOYSA-N 225.296 2.613 0 40 BFAB C[C@@H]1CCc2c(c3ccc(O)cc3oc2=O)C1 2035193 MJNLIGBZWRWBDE-MRVPVSSYSA-N 230.263 2.623 0 40 BFAB CCC[C@@H](Cc1ccccc1)C(=O)OC 2043589 VHQOJNHESYEDEC-LBPRGKRZSA-N 206.285 2.818 0 40 BFAB CCCCN1C[C@@H](COc2ccccc2)OC1=O 2476476 CUUAATUGSCNRFP-ZDUSSCGKSA-N 249.310 2.686 0 40 BFAB CCOc1ccc(C(=O)CCCC(=O)O)cc1 2579973 DEARNFFFXXLTCU-UHFFFAOYSA-N 236.267 2.523 0 40 BFAB CCSc1nnc(Cc2ccccc2)o1 3105618 GRRUMMSYXVSRIV-UHFFFAOYSA-N 220.297 2.772 0 40 BFAB C[C@@H](N)c1nc(-c2ccccc2)cs1 3708723 UYFMXZVUEUHZLJ-MRVPVSSYSA-N 204.298 2.830 0 40 BFAB CC1(C)[C@@H](O)CC[C@@H]1c1ccc(O)cc1 3850125 POHOJJVYKRHKRZ-NEPJUHHUSA-N 206.285 2.657 0 40 BFAB biogenic C[C@H](NC(=O)/C=C/c1ccc(F)cc1)C1CC1 8356965 GWKSMFUXOZDKGW-LLGDCAAFSA-N 233.286 2.754 0 40 BFAB CCCCC(=O)Nc1ccc(C(=O)OC)cc1C 13004499 DWYSZNQTDBJAGJ-UHFFFAOYSA-N 249.310 2.910 0 40 BFAB CSCC(=O)Nc1cccc2c1CCCC2 15302491 VWPZQNVAKKKKDE-UHFFFAOYSA-N 235.352 2.867 0 40 BFAB CC[C@@H](Nc1cc(Cl)ccc1C)C(=O)O 15418107 PXVWCYWMASPTDO-SECBINFHSA-N 227.691 2.924 0 40 BFAB Cc1ccc([C@H](C)NC(=O)[C@@H]2C[C@H]2C)cc1 16970237 MNFOEAXSHGSEIY-NTZNESFSSA-N 217.312 2.828 0 40 BFAB CC(C)[C@@H](NCc1cccc(Cl)c1)C(=O)O 19787752 RQEWDLKDPJJMTM-LLVKDONJSA-N 241.718 2.539 0 40 BFAB in-vitro Fc1cccc(F)c1CNc1cccnc1 19884145 BMAIGOLKUZKBTA-UHFFFAOYSA-N 220.222 2.972 0 40 BFAB CCOc1ncccc1NC(=O)C[C@H]1C=CCC1 27514800 RWPJTXVVWAQUAF-NSHDSACASA-N 246.310 2.775 0 40 BFAB NC(=O)c1ccc(Oc2ccccc2)cc1 33433271 NFJSKQWDCJPNLY-UHFFFAOYSA-N 213.236 2.578 0 40 BFAB Cc1ccccc1CN[C@@H](C)CN1CCCCC1 35258863 BXRPUXRLIZFDTP-HNNXBMFYSA-N 246.398 2.959 0 40 BFAB C[C@H]1CNC[C@H](c2cccc(C(F)(F)F)c2)O1 36986375 RJEZAXRIVUILRZ-GZMMTYOYSA-N 245.244 2.755 0 40 BFAB in-vitro CCc1ccc([C@@H](C)NCc2nccn2C)cc1 37978980 WUFBSMAMCDTGLU-GFCCVEGCSA-N 243.354 2.833 0 40 BFAB C[C@@H](Cc1ccco1)NC(=O)[C@@H]1CC=CCC1 40074711 NZQAQPUXSWLLRF-NWDGAFQWSA-N 233.311 2.683 0 40 BFAB Clc1ccc(OCC2OCCO2)c(Cl)c1 41302616 ISPMLQZBACTLOO-UHFFFAOYSA-N 249.093 2.745 0 40 BFAB O=C(O)c1ccc2c(c1)C=C(n1ccnc1)CC2 43006881 DQEDSIVMYUUZCK-UHFFFAOYSA-N 240.262 2.526 0 40 BFAB in-man Cc1nc(-c2ccccn2)cc(=S)[nH]1 45918636 OKDNAOPCKNMTOR-UHFFFAOYSA-N 203.270 2.510 0 40 BFAB O=C(O)c1cc(C2CC2)nn1Cc1ccccc1 45930397 KJBQNMUCXNGQRP-UHFFFAOYSA-N 242.278 2.507 0 40 BFAB CCN(CC)C(=O)CCc1ccccc1F 47220379 APAOFSDJELOAOS-UHFFFAOYSA-N 223.291 2.627 0 40 BFAB CCc1ccc(C2(O)CCN(C(C)C)CC2)cc1 53296680 GCQQKZBTCQRVEP-UHFFFAOYSA-N 247.382 2.941 0 40 BFAB CCN(C)Cc1ccc(OC(F)F)c(OC)c1 58357939 AANTUNYMXWOWAC-UHFFFAOYSA-N 245.269 2.748 0 40 BFAB Cc1cc(CO)c(C)cc1Br 70021808 DSTSKJCTQWWJDB-UHFFFAOYSA-N 215.090 2.558 0 40 BFAB in-vitro CC[C@@H](C)Nc1ncccc1[C@H]1CCCN1 72213359 VNYKYDZEJMZBPX-ZYHUDNBSSA-N 219.332 2.717 0 40 BFAB Cc1cc([C@H]2CCCCN2C)cnc1S 72218275 APSMQBIOZXCFOG-LLVKDONJSA-N 222.357 2.836 0 40 BFAB CC[C@@H](O)c1ccc(N2CCCCC2)nc1C 72224547 JMFZEMNZCMDISL-CYBMUJFWSA-N 234.343 2.824 0 40 BFAB CC(C)N1CCC(c2ccccn2)CC1 72348455 HQCVYRMEGHDDLM-UHFFFAOYSA-N 204.317 2.669 0 40 BFAB COc1cccc(CS[C@@H](C)[C@@H](C)O)c1 79057035 GUSBSIVXZHSHHJ-ZJUUUORDSA-N 226.341 2.698 0 40 BFAB c1cn(C2CCCC2)nc1CN1CCCCC1 89884711 ULSPBNDKTGVYNP-UHFFFAOYSA-N 233.359 2.984 0 40 BFAB CC[C@](C)(NCCSC)c1nccs1 89912628 CVLQEGSWHCAJQG-JTQLQIEISA-N 230.402 2.721 0 40 BFAB CC(C)C(=O)c1ccc(C(C)(C)C)nc1N 95097492 WWWRNGVRQUNGFO-UHFFFAOYSA-N 220.316 2.800 0 40 BFAB CC1CC(COCc2cccc(O)c2)C1 96525803 OFNFGYJTSJWDHB-UHFFFAOYSA-N 206.285 2.955 0 40 BFAB c1ccc2c(c1)CCN2Cc1cncs1 97049975 BVKFFFAYNMVQOU-UHFFFAOYSA-N 216.309 2.706 0 40 BFAB Cc1ccc(N2CCN[C@@H]3CCCC[C@H]32)c(F)c1 218837142 ONFUVKOVDLNWCX-UKRRQHHQSA-N 248.345 2.855 0 40 BFAB CC(C)O[C@@H](Cc1ccccc1Cl)C(=O)O 220801594 IEGOXYLTUKWOED-NSHDSACASA-N 242.702 2.761 0 40 BFAB CC(C)CCC1CCN([C@@H](C)C(=O)O)CC1 225455560 PYTXFCKOCWNVEQ-NSHDSACASA-N 227.348 2.608 0 40 BFAB Cc1nc2c(Cl)c(Br)cnc2[nH]1 238489720 CXCXDLAFVZVBGG-UHFFFAOYSA-N 246.495 2.682 0 40 BFAB O=C(c1cnc2c(c1)CCCC2)C1CC1 252488679 IWVWHQMPRWBIKV-UHFFFAOYSA-N 201.269 2.553 0 40 BFAB CCc1ncnc(Nc2ccc(OC)cc2)c1F 301923686 LSHUWBRLIQEKAZ-UHFFFAOYSA-N 247.273 2.930 0 40 BFAB Clc1cc(C2CCOCC2)nc(C2CC2)n1 390110224 WLEKMVWTGAIFDZ-UHFFFAOYSA-N 238.718 2.901 0 40 BFAB CC1(C)C[C@H](C(=O)NCc2ccccc2)CCO1 521978 LZSJOGHJZABPDJ-CYBMUJFWSA-N 247.338 2.508 0 40 BFAB CCCCOc1ccc(C(=O)CCN(C)C)cc1 1622119 VFWQNWFOLITBJZ-UHFFFAOYSA-N 249.354 3.000 0 40 BFAB O=C(O)c1cccc(Nc2ccccn2)c1 1672339 YYSORMAMCGMXIV-UHFFFAOYSA-N 214.224 2.523 0 40 BFAB CSc1sccc1C1OCCO1 2575807 YFNAZXDWRVOWBT-UHFFFAOYSA-N 202.300 2.515 0 40 BFAB CC[C@]1(C)C[C@@]2(C=C[C@@H](O)CC2)CCO1 4026245 MEELPUOSODYWIN-JHJVBQTASA-N 210.317 2.663 0 40 BFAB biogenic CNc1ccc([S@](=O)Nc2ccccc2)cc1 5549857 BXURZDSVRMWIKM-QGZVFWFLSA-N 246.335 2.863 0 40 BFAB CCc1nc2ccccc2n1CC(=O)OC(C)C 11735086 JOCPBYMDRQULQL-UHFFFAOYSA-N 246.310 2.550 0 40 BFAB CC(C)[C@@](O)(c1ccccc1)c1ccncc1 12653757 UGHCUUQCWWWPCE-OAHLLOKOSA-N 227.307 2.974 0 40 BFAB C[C@H](NC(=O)c1ccccn1)c1cccs1 12977600 STCCULQAAQBCEF-VIFPVBQESA-N 232.308 2.634 0 40 BFAB Fc1cc(Cl)ccc1OCC1CCNCC1 14631529 HFACAWDSCTXADI-UHFFFAOYSA-N 243.709 2.858 0 40 BFAB c1ccc2c(OC[C@H]3CCNC3)cccc2c1 14632432 SKBRHWSRRITDPJ-LBPRGKRZSA-N 227.307 2.828 0 40 BFAB Clc1ccccc1CNCCN1CCCC1 20126713 LOAGYWOUYSOKAJ-UHFFFAOYSA-N 238.762 2.525 0 40 BFAB O=C1C[C@@H](c2cccc(Cl)c2)c2c[nH]nc2N1 20723930 YBWGRSCSCIAIJT-VIFPVBQESA-N 247.685 2.537 0 40 BFAB OC1CCN(C2CCCCCCC2)CC1 23282908 PTQBEFJIFSMGPL-UHFFFAOYSA-N 211.349 2.556 0 40 BFAB C[C@@H](Sc1ccc(C(C)(C)C)cc1)C(N)=O 26091258 NWOGDOKZJCTYGQ-SECBINFHSA-N 237.368 2.950 0 40 BFAB Nc1[nH]nc(-c2ccco2)c1Cc1ccccc1 26511590 RRRKHMQKITYKCB-UHFFFAOYSA-N 239.278 2.843 0 40 BFAB CCOC(=O)/C(F)=C(\F)c1cccs1 26897079 ZNIUFVDAKBWVEU-BQYQJAHWSA-N 218.224 2.919 0 40 BFAB CC(C)CCNC(=O)c1ccc(F)c(F)c1F 28210641 AKYCBSIFPZAZAY-UHFFFAOYSA-N 245.244 2.880 0 40 BFAB CC(C)CC(=O)N1CCO[C@H](c2ccccc2)C1 32908859 VNYOJEFOEJUVEF-AWEZNQCLSA-N 247.338 2.633 0 40 BFAB O=C(COCc1ccccc1)Nc1ccccc1 34498301 QWKRBXFXSUYEOZ-UHFFFAOYSA-N 241.290 2.842 0 40 BFAB O=C(c1ccc(F)c(F)c1)c1ccco1 35368779 GWULYEZUKOWGHR-UHFFFAOYSA-N 208.163 2.789 0 40 BFAB OCc1cncc(-c2ccc(F)cc2F)c1 35630042 JOJPCPUIZPIDTD-UHFFFAOYSA-N 221.206 2.519 0 40 BFAB CC(=O)Cc1nc2ccccc2n1C(F)(F)F 36625621 IYOHHDBDZKGIBE-UHFFFAOYSA-N 242.200 2.644 0 40 BFAB Cc1cnc(Br)c2cc[nH]c12 43220689 REXQJHMTWUKWJR-UHFFFAOYSA-N 211.062 2.634 0 40 BFAB in-vitro CCCNC(=O)N1c2ccccc2C[C@@H]1C 43466575 HCQQQLUPNBWYLT-JTQLQIEISA-N 218.300 2.557 0 40 BFAB CCOC(C)(OCC)c1ccc(C(=O)O)cc1 43502589 XKBIONPZNJTPII-UHFFFAOYSA-N 238.283 2.631 0 40 BFAB CCCNC(=O)N[C@@H](C)c1ccc2c(c1)CCC2 54803593 SPBLQINFTKCZQG-NSHDSACASA-N 246.354 2.946 0 40 BFAB Cc1ccccc1N1C=CC(C)(C)NC1=S 56656608 KUTGUNKTDVMNJS-UHFFFAOYSA-N 232.352 2.982 0 40 BFAB CC(C)c1ccc2c(c1)CC[C@@H]2C(=O)O 57492265 ZVROSPVIIXITFH-LBPRGKRZSA-N 204.269 2.924 0 40 BFAB O[C@@H](Cc1cccc(Cl)c1)C(F)(F)F 61893938 SVEIEDFKSFGRES-QMMMGPOBSA-N 224.609 2.806 0 40 BFAB in-vitro CN1CCn2cccc2[C@H]1c1ccccc1 66420763 LZKLXWXFLSNCOU-CQSZACIVSA-N 212.296 2.523 0 40 BFAB Cc1cc(-c2noc(C)c2C(=O)O)ccc1F 70426655 HXUHCGICGFXQTL-UHFFFAOYSA-N 235.214 2.796 0 40 BFAB CC1(C)C(=O)[C@@]2(Br)CC[C@]1(C)C2 72207157 ZQHHFVUVFKAHSG-NXEZZACHSA-N 231.133 2.919 0 40 BFAB Brc1ccc(C2=NCCCC2)cn1 72211564 SKSCWKKHPKTZJB-UHFFFAOYSA-N 239.116 2.817 0 40 BFAB CCCN1CCC[C@@H]1c1cnc(OC)cc1C 72218017 CZCRARMOILCIHA-CYBMUJFWSA-N 234.343 2.946 0 40 BFAB Clc1ncn(CCCc2ccccc2)n1 72323995 MBKDVFLJAJNXST-UHFFFAOYSA-N 221.691 2.564 0 40 BFAB CCCOc1ccc(NC(=O)C(F)(F)F)cc1 81562340 YDDLSVMWNBHGQM-UHFFFAOYSA-N 247.216 2.976 0 40 BFAB COc1c(C)cc([C@@H](O)c2ccccn2)cc1C 95727388 NWYDWIWZENCCIV-CQSZACIVSA-N 243.306 2.789 0 40 BFAB CCc1cnc(NCc2ccco2)s1 95939371 GUWGESNXHNKSCH-UHFFFAOYSA-N 208.286 2.911 0 40 BFAB CSCCCNC(=O)c1ccc(C)cc1C 96412069 FBNBXBAMNUUVFC-UHFFFAOYSA-N 237.368 2.786 0 40 BFAB COCC[C@@H](C)NCc1cc(F)ccc1C 97232505 MJOZPEVOSYQSPD-LLVKDONJSA-N 225.307 2.649 0 40 BFAB CC[C@H](NC[C@H]1C[C@H]2C=C[C@H]1C2)c1noc(C)n1 101544048 WCXBRVVYVPMOLO-RVMXOQNASA-N 247.342 2.631 0 40 BFAB O=C(OCc1ccccc1)[C@@H]1C[C@H]2C=C[C@H]1C2 103419952 OYGJCQBQTZZCQO-MELADBBJSA-N 228.291 2.942 0 40 BFAB CC1(C)C[C@@H](NC(=O)C2CC2)c2ccccc2O1 121930094 SJWCBXBZFXHZCW-GFCCVEGCSA-N 245.322 2.815 0 40 BFAB Clc1ccc2c(c1)[C@]1(CCC2)CCN1 306145555 IJVWDSBREGHYLP-LBPRGKRZSA-N 207.704 2.865 0 40 BFAB CC(C)c1ccc(N[C@H]2CC[C@@H]2O)cc1 585299013 ZHMMKSMECCOPJH-STQMWFEESA-N 205.301 2.745 0 40 BFAB C[C@@H]1C(=O)CCN(CCc2ccccc2)[C@@H]1C 39082 QJYLHNRPTOYYNS-QWHCGFSZSA-N 231.339 2.529 0 40 BFAB O=C(Nc1ccncc1)OC1CCCCC1 196501 BXXBFBQYNSTNNK-UHFFFAOYSA-N 220.272 2.963 0 40 BFAB CO[C@@H]1OC(=O)c2cccc3cccc1c23 1600712 RTXMOUPTTNLYJZ-CYBMUJFWSA-N 214.220 2.655 0 40 BFAB CN1CCC[C@]2(CCCc3ccccc32)C1 1627668 PBSQCGBLDFOFBG-OAHLLOKOSA-N 215.340 2.986 0 40 BFAB CC(C)(C)c1ccc(OCCOC=O)cc1 1687351 ICNJRWHHARJVHC-UHFFFAOYSA-N 222.284 2.536 0 40 BFAB O=C1CC[C@@H]([C@H]2CCc3cc(O)ccc3C2)C1 1708295 FHYIFXKLWBYONC-GXFFZTMASA-N 230.307 2.866 0 40 BFAB biogenic,in-vitro c1ccc2c(c1)CCC[C@]21CCCNC1 2577428 LMWZSFKRLLPFGE-CQSZACIVSA-N 201.313 2.644 0 40 BFAB in-vitro CCCCNC(=O)c1ccc2ncsc2c1 3400731 NUIIOEGOEMOFSM-UHFFFAOYSA-N 234.324 2.826 0 40 BFAB O=C1CSC(=O)N1Cc1ccccc1Cl 4105201 OUPYHMSTAQITND-UHFFFAOYSA-N 241.699 2.535 0 40 BFAB Cc1nc(S[C@@H](C)C(=O)O)c2ccccc2n1 4536981 DYXBKEBSWWCVBF-ZETCQYMHSA-N 248.307 2.503 0 40 BFAB CC(C)NC(=O)/C=C/c1cccc(Cl)c1 5909771 JGOXXSOIKWZWDT-VOTSOKGWSA-N 223.703 2.878 0 40 BFAB c1ccc2c(c1)NCCN2Cc1ccncc1 8699856 NWVMHXAJJAEQIP-UHFFFAOYSA-N 225.295 2.514 0 40 BFAB Cc1cc(Cl)ccc1NCC(=O)NC(C)C 9155222 OTDIBKXPPZJBHS-UHFFFAOYSA-N 240.734 2.585 0 40 BFAB CC(=O)Nc1ccccc1OCc1cc(C)no1 9869875 BVOIDISWONEDHH-UHFFFAOYSA-N 246.266 2.520 0 40 BFAB CC(C)(C)C(=O)N[C@H]1CCc2ccccc21 12886546 ZPEJOGQZFKOPDL-LBPRGKRZSA-N 217.312 2.836 0 40 BFAB CCCNC(=O)[C@@H]1Cc2ccc(C)cc2S1 12893161 ZCIYGZNJXKWCDY-LBPRGKRZSA-N 235.352 2.538 0 40 BFAB O=C(NC(C1CC1)C1CC1)c1ccc(F)cc1 12905576 BFSCAUKHMGXOFN-UHFFFAOYSA-N 233.286 2.744 0 40 BFAB CCC[C@@H](C)NC(=O)c1cc(Cl)c[nH]1 12988455 CNMSHBHIQSISBC-SSDOTTSWSA-N 214.696 2.587 0 40 BFAB CCOP(=O)(Nc1ccccn1)OCC 13283161 DISFEXMNXDIZHQ-UHFFFAOYSA-N 230.204 2.675 0 40 BFAB O[C@H](/C=C/c1ccccc1)C(F)(F)F 15203116 TWENPNDYVIPCRK-XCODYQFDSA-N 202.175 2.623 0 40 BFAB Cc1cccc2c(=O)nc(-c3ccco3)oc12 15593896 MIJARUWEQPOXBX-UHFFFAOYSA-N 227.219 2.756 0 40 BFAB O=C1CC(c2ccccc2)=Nc2cccnc2N1 15828584 QCIGLOLCBMSGIH-UHFFFAOYSA-N 237.262 2.545 0 40 BFAB C1CCC(CCOC[C@H]2CCCNC2)CC1 19735444 ZNQQQCJTKNJVBK-AWEZNQCLSA-N 225.376 2.973 0 40 BFAB in-vitro CCCN1CCC(NC(CC)CC)CC1 19883760 SHGOUBJSIVBZCT-UHFFFAOYSA-N 212.381 2.639 0 40 BFAB Nc1ccc(Oc2ccccc2)cc1C(=O)O 20475928 DQQGVGXQQYLHTC-UHFFFAOYSA-N 229.235 2.759 0 40 BFAB in-vitro CC(C)(C)CC(=O)NCc1ccccc1F 21269867 IMSKGVUSIXYXPD-UHFFFAOYSA-N 223.291 2.878 0 40 BFAB CC(=O)Oc1cc(-c2ccccc2)n(C(C)=O)c1 22047074 WKSITCBIIIHVSF-UHFFFAOYSA-N 243.262 2.741 0 40 BFAB in-vitro CCOc1ncccc1NC(=O)c1ccccc1 27587560 MIPWXINTGLYYAR-UHFFFAOYSA-N 242.278 2.733 0 40 BFAB CCCC(=O)Nc1cnc2c(cnn2C(C)C)c1 29066113 YEHQICNUOSQZRD-UHFFFAOYSA-N 246.314 2.751 0 40 BFAB COC(=O)NC1(c2ccccc2)CCCC1 30947813 CPJZKUDZQBHFDX-UHFFFAOYSA-N 219.284 2.812 0 40 BFAB N=C(N)Nc1ccc2c(c1)Cc1ccccc1-2 31772054 HXBDAQXPMQOXMM-UHFFFAOYSA-N 223.279 2.563 0 40 BFAB CSc1nc(O)cc(CSC(C)C)n1 31773413 AATFVYPYGSMWJH-UHFFFAOYSA-N 230.358 2.546 0 40 BFAB Cc1nc(-c2ccccn2)nc(Cl)c1C 37947835 BDZNLKLHMMORIZ-UHFFFAOYSA-N 219.675 2.809 0 40 BFAB in-vitro CCC(=O)N1C[C@@H](C)O[C@H](c2ccc(C)cc2)C1 41422264 SHUIKUPBACIPJJ-OCCSQVGLSA-N 247.338 2.693 0 40 BFAB CCc1noc([C@H](C)N2C[C@@H](C)C[C@H](C)C2)n1 42651729 GSIOCPGGTNDGHV-DCAQKATOSA-N 237.347 2.671 0 40 BFAB CCCc1noc([C@H](C)N2CCC[C@H](C)C2)n1 44583697 FQARJKDRGABXFF-QWRGUYRKSA-N 237.347 2.815 0 40 BFAB CC(C)[C@H](C)NC(=O)CCc1ccc(F)cc1 52834816 LNQSLOFUPKOAPQ-NSHDSACASA-N 237.318 2.919 0 40 BFAB C[C@H](N[C@@H]1CCCc2occc21)c1nccn1C 70443742 AEVWHCSRGYFHTI-CMPLNLGQSA-N 245.326 2.741 0 40 BFAB O=C(CCC(F)(F)F)Cc1cccnc1 70915195 BYOCEIXRJPKGOC-UHFFFAOYSA-N 217.190 2.536 0 40 BFAB Cc1ccncc1NC(=O)c1ccc(F)cc1F 71847600 HDXLVJPBDDMPMK-UHFFFAOYSA-N 248.232 2.921 0 40 BFAB Brc1cncc(-c2ccccn2)c1 72192767 ZKOZNFNWADATLB-UHFFFAOYSA-N 235.084 2.906 0 40 BFAB CCN1CCC[C@@H]1c1ccc(Cl)nc1 72211442 QVQHNRNGAKKSKS-SNVBAGLBSA-N 210.708 2.892 0 40 BFAB Cc1cc([C@@H]2CCCN2C(C)C)cnc1N 72218439 YLSLKMMWNNPBTC-LBPRGKRZSA-N 219.332 2.518 0 40 BFAB CCCOc1ccc(-c2cc(CCN)no2)cc1 72220699 WFDSDVMNGJQBPI-UHFFFAOYSA-N 246.310 2.632 0 40 BFAB CC(C)(C)C(=O)c1ccc2c(c1)OCO2 75854820 SDIDIZLRCOBEPG-UHFFFAOYSA-N 206.241 2.644 0 40 BFAB CCOc1ccc(NC(=O)c2ccco2)c(N)c1 76859704 HSPRVVFPKSTOQE-UHFFFAOYSA-N 246.266 2.513 0 40 BFAB O=C(O)c1cc(OC2CCCC2)cs1 85656593 FUPDHAVQDYLTNX-UHFFFAOYSA-N 212.270 2.768 0 40 BFAB O=C(c1nccc2ccccc12)C(F)(F)F 91297143 ZSRLVMSVTQXUHK-UHFFFAOYSA-N 225.169 2.980 0 40 BFAB CC(=O)N1CCCC[C@@H](c2ccc(F)cc2)C1 96119775 AGMNVCCGIPLFJH-CYBMUJFWSA-N 235.302 2.942 0 40 BFAB Cc1cccc(OCCn2ccc(C)n2)c1 97021492 LAKBRQLKPRKUDS-UHFFFAOYSA-N 216.284 2.579 0 40 BFAB NN[C@H](c1ccccc1)c1cc(F)cc(F)c1 161802249 SHJUEASEKXEUCT-CYBMUJFWSA-N 234.249 2.518 0 40 BFAB CC[C@H](NN)c1ccc(C(C)(C)C)cc1 161807959 JUXMOFQWZGJTOD-LBPRGKRZSA-N 206.333 2.899 0 40 BFAB O=C(O[C@@H]1CCc2cccnc21)c1ccoc1 189319072 LTOJPZNRRWFSKW-LLVKDONJSA-N 229.235 2.519 0 40 BFAB C[C@@H]1CC(=O)c2cnn(Cc3ccccc3)c2C1 199737850 WEDXATQPLGCKBB-NSHDSACASA-N 240.306 2.696 0 40 BFAB CCCCOc1nn(C)c2cc(C=O)ccc12 225773655 HVDOLHQDPHEVFJ-UHFFFAOYSA-N 232.283 2.565 0 40 BFAB O=C1CCCC[C@@H]2N[C@@H](c3ccccc3)C[C@@H]12 247856441 KBAKULWQSFFMJC-HZSPNIEDSA-N 229.323 2.849 0 40 BFAB CC[C@H](C)n1ccc(NCc2cccn2C)n1 256053606 SBTQYRVDFDCZGH-NSHDSACASA-N 232.331 2.805 0 40 BFAB Cc1cc(NC(C)C)nc(-c2ccccc2O)n1 501236 BSXTWSSCKFMLOI-UHFFFAOYSA-N 243.310 2.978 0 40 BFAB CNC(=O)c1cc2c(s1)-c1ccccc1CC2 1405579 ADOUOUVBTDMDIV-UHFFFAOYSA-N 243.331 2.873 0 40 BFAB NC(=O)/C=C/c1ccccc1Oc1ccccc1 1406001 ZYSUKZXLXFAIAP-ZHACJKMWSA-N 239.274 2.977 0 40 BFAB O=C1CSc2ccccc2-n2cccc21 1585392 WRMQVQBFXFIZIY-UHFFFAOYSA-N 215.277 2.766 0 40 BFAB in-vivo COc1ccc(CC[C@]2(C)OC[C@H](C)O2)cc1 1666197 UOUFTMUYBCIYBY-SMDDNHRTSA-N 236.311 2.779 0 40 BFAB CCCCCNC(=O)Cc1cccs1 3329149 NYPYPXOKKRQDJI-UHFFFAOYSA-N 211.330 2.597 0 40 BFAB CC(=O)OC[C@]12CO[C@H](C)[C@H](C1)C(C)=C[C@@H]2C 4012224 FLTREWUZEUGCGE-OIMNJJJWSA-N 238.327 2.557 0 40 BFAB biogenic C[C@@H]1OC(=O)c2cc3ccccc3cc2O1 4777831 RCEXFCZCUFWSOF-QMMMGPOBSA-N 214.220 2.735 0 40 BFAB CN(C)c1ccc(N2CCCCC2)s1 6490392 FIDCJMIPQYFLCZ-UHFFFAOYSA-N 210.346 2.804 0 40 BFAB CCOc1ccc2oc(C(=O)O)cc2c1 8325055 BIBZSYKQPNBTMI-UHFFFAOYSA-N 206.197 2.530 0 40 BFAB O=C(CC1CCCC1)Nc1ccccn1 8723390 XRKINKIKHABTPB-UHFFFAOYSA-N 204.273 2.600 0 40 BFAB Cc1ccc(OC[C@@H]2CCCCN2)cc1 12137811 GZFNPIWUACLBJW-LBPRGKRZSA-N 205.301 2.516 0 40 BFAB COc1ccccc1NC(=O)c1noc(C)c1C 13641124 WNADZZITJZJHPN-UHFFFAOYSA-N 246.266 2.552 0 40 BFAB COc1ccc(NC(=O)c2cccs2)c(N)c1 20157227 ZUFITJWPJHWNPD-UHFFFAOYSA-N 248.307 2.591 0 40 BFAB CC(C)COc1cccc(/C=C/C(=O)O)c1 20526778 FFIZMHBCWSIBDN-VOTSOKGWSA-N 220.268 2.819 0 40 BFAB biogenic Cc1ccc(-n2ncc3c2C[C@@H](C)CC3=O)cc1 20632920 ONEHZMMPFCXCAH-LLVKDONJSA-N 240.306 2.946 0 40 BFAB Cc1nc(-c2ccc(Cl)cc2)ncc1C(=O)O 22124006 AJXQUFSYXVWZPC-UHFFFAOYSA-N 248.669 2.804 0 40 BFAB CNc1c(N)c(Cl)nc2ccccc12 26441123 JSLUDDFXWHWKRL-UHFFFAOYSA-N 207.664 2.512 0 40 BFAB CCC[C@@H](C)NC(=O)c1cc(F)cc(F)c1 28210538 SIAGJOARRCRRMX-MRVPVSSYSA-N 227.254 2.883 0 40 BFAB CCc1nc2ccc(C(=O)O)cc2s1 31894167 UYVINKDREZDAEG-UHFFFAOYSA-N 207.254 2.557 0 40 BFAB in-vitro c1ccc(NCc2nc(C3CC3)no2)cc1 37396361 POEQSEKSXWYMMC-UHFFFAOYSA-N 215.256 2.559 0 40 BFAB CC(C)=CC(=O)N(Cc1ccccn1)C1CC1 40465402 ARWDRCDUHKLANT-UHFFFAOYSA-N 230.311 2.539 0 40 BFAB Fc1cccc(NCc2cccs2)n1 40711996 MTMKCYKFHUUMQA-UHFFFAOYSA-N 208.261 2.894 0 40 BFAB CC[C@H]1CCCN(C(=O)CC(F)(F)F)C1 41881220 ZSKOGOLHDNEBSE-QMMMGPOBSA-N 223.238 2.587 0 40 BFAB CC(C)n1cc(NC(=O)c2ccsc2)cn1 66389557 UKVHUQKRPMJANE-UHFFFAOYSA-N 235.312 2.778 0 40 BFAB CCN1CCC[C@H]1c1ccc(NC2CC2)nc1 72213770 YGOHVNOIENXGEZ-ZDUSSCGKSA-N 231.343 2.813 0 40 BFAB C[C@H](N)c1ccc(OCc2ccccc2)nc1 72225393 VCEISJDRIDFSMS-NSHDSACASA-N 228.295 2.680 0 40 BFAB C[C@H](O)c1ccc(N2CCc3ccccc32)nc1 72225806 QUTUAVDTZCZBGS-NSHDSACASA-N 240.306 2.829 0 40 BFAB COc1cccc(-c2cc(C(=O)O)c(C)o2)c1 77073725 HHTYPHWYEYGOEX-UHFFFAOYSA-N 232.235 2.962 0 40 BFAB CCCC(=O)n1cc(C=O)c2ccccc21 82534815 SGJDREQUCJHCFZ-UHFFFAOYSA-N 215.252 2.894 0 40 BFAB O=C(O)c1ccc(Oc2cccc(F)c2)cn1 84037319 GQJXCHFGPIEVCM-UHFFFAOYSA-N 233.198 2.711 0 40 BFAB CCOC(=O)[C@@H](CC)Oc1ccc(F)cc1F 84119805 XMNUBMYMOABVGR-SNVBAGLBSA-N 244.237 2.685 0 40 BFAB in-vitro Cc1cccc([C@H](O)CN[C@H](C)c2ccco2)c1 90520861 IDBIVWJNBLPDNG-TZMCWYRMSA-N 245.322 2.972 0 40 BFAB COC(=O)[C@@H](C)SCCc1cccs1 97102258 JNEKPRZLMBKGIE-MRVPVSSYSA-N 230.354 2.585 0 40 BFAB C[C@H]1CCCc2nc3cc(C(=O)O)ccc3n21 141959495 IYKUPGSBNCHIOA-QMMMGPOBSA-N 230.267 2.632 0 40 BFAB Cc1noc(C)c1CO[C@@H]1CCCc2c[nH]nc21 188941326 VFRWCTFVXWEJAP-GFCCVEGCSA-N 247.298 2.609 0 40 BFAB C[C@@H](NN)c1c(Cl)ccc(F)c1Cl 199535433 ODNCQNJEDVRBLZ-SCSAIBSYSA-N 223.078 2.657 0 40 BFAB Cc1ccc(N2CCN[C@@H]3CCC[C@H]32)cc1C 218844688 TVCLCARITZTDNE-HUUCEWRRSA-N 230.355 2.634 0 40 BFAB COC(=O)c1cc(C)n(C2CCCC2)c1 223750395 ANXZVBUNMQKJAP-UHFFFAOYSA-N 207.273 2.698 0 40 BFAB CC(=O)Oc1cccc(C(=O)C2CCCC2)c1 575362417 ZFAHLMHVLZCQID-UHFFFAOYSA-N 232.279 2.985 0 40 BFAB Cc1cnn(C(=O)c2oc3ccccc3c2C)c1 1054932 BGABGNOUUDMUAM-UHFFFAOYSA-N 240.262 2.935 0 40 BFAB O=CNCCc1ccc2c(c1)[nH]c1ccccc12 1725714 FFBYCJRMBZEWPT-UHFFFAOYSA-N 238.290 2.610 0 40 BFAB O=S1(=O)[C@H]2CCC[C@@H]1C=C2Cc1ccccc1 2187137 FIEQUNLYMBGYDG-KGLIPLIRSA-N 248.347 2.505 0 40 BFAB Clc1ccc(Cl)c(OC[C@H]2CO2)c1 4200169 BKYYOPSMOZNITO-SSDOTTSWSA-N 219.067 2.771 0 40 BFAB in-vitro CCN(CC)Cc1cc(OC)ccc1OC 4671590 BCVJXZPZJGBZBS-UHFFFAOYSA-N 223.316 2.546 0 40 BFAB CCCC(=O)Nc1cccc(N2CCCC2=O)c1 5440437 WOGDETCBCILGFP-UHFFFAOYSA-N 246.310 2.552 0 40 BFAB CCOc1c(CNC(C)(C)C)cccc1OC 8253452 KTAFKTMSAJFEHO-UHFFFAOYSA-N 237.343 2.982 0 40 BFAB Cc1c(N)cccc1C(=O)N1CCCCCC1 8703651 JOBCWVQUEDAPIR-UHFFFAOYSA-N 232.327 2.593 0 40 BFAB COc1cccc(CN)c1OCc1ccccc1 11803033 XDSWFXQYLMNDDE-UHFFFAOYSA-N 243.306 2.733 0 40 BFAB O=C(O)/C=C(\Br)c1ccccc1 12416817 UPZBDEYHZXRSBQ-VURMDHGXSA-N 227.057 2.507 0 40 BFAB CC[C@](C)(O)CCCCC[C@@H]1C=CC(=O)O1 14490834 SYVFGLXUEAXFAP-YPMHNXCESA-N 226.316 2.580 0 40 BFAB biogenic,in-vitro c1ccc(COCC[C@H]2CCCCN2)cc1 14632318 HPQBCXGZMFRXMO-CQSZACIVSA-N 219.328 2.735 0 40 BFAB Cc1ccc(C)c(Oc2ncnc3[nH]cnc23)c1 16758248 XMNMCFNGHIDKIX-UHFFFAOYSA-N 240.266 2.762 0 40 BFAB Cc1ccccc1OCc1cccc(C(=N)N)c1 19481951 NSCGOEVUGYQRHP-UHFFFAOYSA-N 240.306 2.858 0 40 BFAB in-vitro Clc1ccc(-c2onc3c2CNCC3)cc1 19723233 JFRAALNKVZBHOQ-UHFFFAOYSA-N 234.686 2.641 0 40 BFAB C[C@H]1CN(c2c(N)cccc2Cl)C[C@H](C)O1 22141082 VEVCPFBEBOZXGK-IUCAKERBSA-N 240.734 2.536 0 40 BFAB CCNC(=O)c1cccc2c3c([nH]c12)CCCC3 23111252 AQJMGJNDAGRQMZ-UHFFFAOYSA-N 242.322 2.796 0 40 BFAB C[C@H](c1cccs1)N(C)C(=O)C1CC1 32841967 MUFOTCOIISPALD-MRVPVSSYSA-N 209.314 2.678 0 40 BFAB O=c1ccc2ccc(Br)cc2o1 34250627 PFJPBLFPJISXMF-UHFFFAOYSA-N 225.041 2.556 0 40 BFAB CCO[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 36315792 BWIFVCROTHJOFM-CYBMUJFWSA-N 248.326 2.719 0 40 BFAB Cc1cccc([C@H](CN)N2CCC(C)CC2)c1 38827629 WGZCZGXGPLENLO-HNNXBMFYSA-N 232.371 2.727 0 40 BFAB CNc1cc2ccccc2cc1C(=O)O 39240065 AAABZGVXAOQRDE-UHFFFAOYSA-N 201.225 2.580 0 40 BFAB CCN(CC)c1ncccc1Br 42376199 XOYWQNPWRSICPS-UHFFFAOYSA-N 229.121 2.690 0 40 BFAB COC(=O)c1nc(C(F)(F)F)ccc1Cl 47202297 GWGHUSHBBKTWGG-UHFFFAOYSA-N 239.580 2.540 0 40 BFAB CCCC(C)(C)NC(=O)Cc1ccccc1OC 50498773 DVLYAVNLXDXILI-UHFFFAOYSA-N 249.354 2.933 0 40 BFAB NC[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F 54561810 YYFVHSZMKLORPR-IONNQARKSA-N 231.217 2.647 0 40 BFAB CCOc1ccc(C(=O)N[C@H](C)C(C)C)cc1 57159820 URCHZVYRLATGOQ-LLVKDONJSA-N 235.327 2.860 0 40 BFAB CCn1cc(NC(=O)c2ccccc2Cl)cn1 58344555 RBMXQIKSMITMKE-UHFFFAOYSA-N 249.701 2.809 0 40 BFAB N[C@@H](c1c(F)cccc1F)C(F)(F)F 72194734 FQBIIQNIZSLNJU-ZETCQYMHSA-N 211.133 2.527 0 40 BFAB in-vitro CCOC(=O)C[C@](C)(CC)NCc1ccccc1 72210248 VPRQGCXKVVVNAX-HNNXBMFYSA-N 249.354 2.898 0 40 BFAB COc1ncc([C@H]2CCCN2C(C)C)cc1C 72217721 HAWDKJNRBZIGBP-CYBMUJFWSA-N 234.343 2.944 0 40 BFAB O=C(O)c1sc(C2CC2)nc1C1CC1 77303310 LXQBAGYKXGZCDR-UHFFFAOYSA-N 209.270 2.596 0 40 BFAB in-vitro CC[C@H](C)C[C@H](C)NC(=O)NCc1ccncc1 78933121 DOKIXVPNGNBLBC-RYUDHWBXSA-N 249.358 2.706 0 40 BFAB Cc1ccc(OCCN(C)c2ccccc2)cn1 84191265 CSWNUCQLTLQKJH-UHFFFAOYSA-N 242.322 2.905 0 40 BFAB CC(C)(C)C(=O)N1CCC(C(F)(F)F)CC1 88439168 AWAXUPCCRLVXOI-UHFFFAOYSA-N 237.265 2.833 0 40 BFAB CSc1ccc([C@H](O)c2ccccn2)cc1 95727432 GMDXSIWCCDDIQL-ZDUSSCGKSA-N 231.320 2.885 0 40 BFAB COc1cc2cnc(Cl)cc2cc1OC 95935329 UHNYGOXREGUUGH-UHFFFAOYSA-N 223.659 2.905 0 40 BFAB in-vitro Cc1c(O)cc2c(c1C)O[C@@](C)(CO)C[C@@H]2C 98175227 VOPROHVTWCUDFE-RMLUDKJBSA-N 236.311 2.646 0 40 BFAB CC(C)(C)OC(=O)N1[C@@H]2CCC[C@@H]1CC(=O)C2 100002167 YEKYAQUJESJBFI-NXEZZACHSA-N 239.315 2.508 0 40 BFAB O=C(O)c1c(O)c(C2CC2)nc2ccccc12 149873995 OZYOGBFMEZNDIX-UHFFFAOYSA-N 229.235 2.516 0 40 BFAB O=C(NCCOCc1ccccc1)C1CCCC1 177075912 YHYTVOCMHXEXIJ-UHFFFAOYSA-N 247.338 2.510 0 40 BFAB Cc1ccc(N[C@H]2CCCC[C@H]2N)cc1C 218860136 WTWZUOPSTOLTDY-KGLIPLIRSA-N 218.344 2.985 0 40 BFAB CCOC(=O)Cc1c[nH]c2ccc(C)cc12 222352986 UEHMEXFLEBAALN-UHFFFAOYSA-N 217.268 2.582 0 40 BFAB CCCO[C@H](Cc1cccc(Cl)c1)C(=O)O 225060209 FEGGGTSTUBTYKF-LLVKDONJSA-N 242.702 2.762 0 40 BFAB CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@@H](F)C2 710673355 FLQJCIOFETVVPK-GUBZILKMSA-N 229.295 2.744 0 40 BFAB Cc1[nH]c2ccccc2c1C[C@H]1C[C@@H](C)OC1=O 518770 LBCSSFHBUUXFJE-MWLCHTKSSA-N 243.306 2.970 0 40 BFAB biogenic Cc1nc(Nc2ccccc2)sc1C(=O)O 873499 LNBUJXLOYNNILV-UHFFFAOYSA-N 234.280 2.893 0 40 BFAB CC(C)(N)Cc1ccc(Br)cc1 2004002 DXXPWEKAYXAOPR-UHFFFAOYSA-N 228.133 2.729 0 40 BFAB in-vitro CCOP(=O)(OCC)c1ccccc1C 2560650 XKEVSSUXQVVUNO-UHFFFAOYSA-N 228.228 2.886 0 40 BFAB CCc1sc(C=O)cc1Br 2573225 BZWLZUAFDWILCJ-UHFFFAOYSA-N 219.103 2.886 0 40 BFAB C[C@H]1CCCCN1C(=O)c1ccc(F)cc1F 3229851 GKEYHHSCTGBSCU-VIFPVBQESA-N 239.265 2.979 0 40 BFAB Cc1cccc(CNC(=O)c2ccccc2)c1 6207091 KTEAZVSASGMKDQ-UHFFFAOYSA-N 225.291 2.925 0 40 BFAB O[C@@H]1/C(=C/c2ccc(Cl)cc2)N2CCC1CC2 8873625 WRHOCFANFXIPAE-XXYUJHKVSA-N 249.741 2.767 0 40 BFAB Cc1cccc(C(=O)O)c1NC(=O)c1ccco1 9458303 WGRHWAUPPXKDGG-UHFFFAOYSA-N 245.234 2.539 0 40 BFAB CCOC(=O)N1Cc2cc3ccccc3nc2C1 13284367 DPNXOZFTZHIWAF-UHFFFAOYSA-N 242.278 2.707 0 40 BFAB NNc1ccccc1-c1nc2ccccc2[nH]1 13285077 BQTRBTJEGWTZDO-UHFFFAOYSA-N 224.267 2.516 0 40 BFAB Nc1cc2ccccc2nc1Br 14982022 UWTXZKYZHSEFIT-UHFFFAOYSA-N 223.073 2.580 0 40 BFAB in-vitro CN(C)[C@H](CN)c1cccc(Cl)c1Cl 19472885 OIRCTAUSZLSIFJ-SECBINFHSA-N 233.142 2.555 0 40 BFAB O=C(O)c1ccccc1CCc1cccnc1 19735532 YLTWNWVAOWGXRU-UHFFFAOYSA-N 227.263 2.565 0 40 BFAB in-vitro CCOc1ccccc1[C@@H]1C[C@@H]1[C@@H](C)N 20392362 MGOCNVGBTKLNMA-JLLWLGSASA-N 205.301 2.536 0 40 BFAB Fc1ccccc1OCC[C@H]1CCCCN1 20438981 SHEZQAKQJPZKNH-LLVKDONJSA-N 223.291 2.737 0 40 BFAB CC(C)(C(=O)O)c1ccc(C(=O)C2CC2)cc1 21991757 LOWWEULESZKQRF-UHFFFAOYSA-N 232.279 2.642 0 40 BFAB in-vitro CC[C@@H](NC1CC1)c1ccc(OC)cc1 22144100 IZAJEAWMAVXAHU-CYBMUJFWSA-N 205.301 2.898 0 40 BFAB CCCc1noc2nc(C3CC3)cc(C(=O)O)c12 22164825 GLGPXIDJQVMEKG-UHFFFAOYSA-N 246.266 2.751 0 40 BFAB CC(=O)N[C@@H](C)c1ccc(-n2cccc2)cc1 28304897 BNRYBFWRLREJCA-NSHDSACASA-N 228.295 2.674 0 40 BFAB O=C(Nc1cc(-c2ccccc2)n[nH]1)C1CCC1 28304987 HKCPYYVAPIHWJK-UHFFFAOYSA-N 241.294 2.815 0 40 BFAB CC[C@H]1CCCCN1C(=O)c1occc1C 32784517 SEHIARKQLQDCGT-NSHDSACASA-N 221.300 2.993 0 40 BFAB CC(=O)Nc1cc(C)nn1-c1ccc(C)cc1C 32859955 NTVDLOJSFVEVNQ-UHFFFAOYSA-N 243.310 2.756 0 40 BFAB c1ccc2sc(Cn3ccnc3)nc2c1 32860169 JMKXEPJZVZBCEY-UHFFFAOYSA-N 215.281 2.541 0 40 BFAB Cc1cc2nc(NCCN(C)C)sc2cc1C 34936062 XDGXQOPLCZXTTH-UHFFFAOYSA-N 249.383 2.887 0 40 BFAB O=C(O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F 37380700 URRRSJNYUQVDCI-SFYZADRCSA-N 246.184 2.773 0 40 BFAB in-vitro CCC[C@H](C)NC(=O)c1c(F)cccc1F 42141526 HQHTVYLOPLJSGW-QMMMGPOBSA-N 227.254 2.883 0 40 BFAB O=C(c1cc(C2CC2)[nH]n1)N1CCCCCCC1 44858191 ZGIVEBXMAODAEA-UHFFFAOYSA-N 247.342 2.693 0 40 BFAB CC(C)NC[C@H]1CCCN1Cc1ccccc1 53648917 DOYPTDAMDJEVFG-OAHLLOKOSA-N 232.371 2.649 0 40 BFAB Cc1cc(C(N)=O)c(C)n1-c1ccc(Cl)cc1 57530580 DLQIMXAPAZIYSG-UHFFFAOYSA-N 248.713 2.846 0 40 BFAB CCNC(=O)c1ccc(-c2cccs2)nc1C 57913336 PFBRPWWKMBGEIX-UHFFFAOYSA-N 246.335 2.868 0 40 BFAB CCC(CC)(CN)N[C@H](C)c1ccccc1 62151988 FFCYXXDRXVCEJL-GFCCVEGCSA-N 220.360 2.855 0 40 BFAB in-vitro CSc1nnc(C2CC2)n1Cc1ccccc1 72099181 JNQYYAJFCMMSRZ-UHFFFAOYSA-N 245.351 2.926 0 40 BFAB CCOC(=O)/C=C/c1cccc(OC)c1Cl 72209078 DSECEFSODWSNPC-BQYQJAHWSA-N 240.686 2.925 0 40 BFAB CCCN1CCC[C@H]1c1cccnc1N(C)C 72212658 PZTCHVPFPJTCLP-ZDUSSCGKSA-N 233.359 2.695 0 40 BFAB CCOC(=O)c1cc(C(C)(C)C)c(O)cc1O 72233427 LCIBWWACUMMQFK-UHFFFAOYSA-N 238.283 2.572 0 40 BFAB O=C(Cc1ccco1)Nc1ccc(F)cc1 74696900 DWDRDRAALIDJGA-UHFFFAOYSA-N 219.215 2.600 0 40 BFAB CCN(CC)Cc1ccc(-n2ccnc2)cc1 82036065 IUVPLMONDFJLFY-UHFFFAOYSA-N 229.327 2.714 0 40 BFAB Cc1ccc(OCCC(C)C)c(CO)c1 82426890 UXXPFWIDZZJERC-UHFFFAOYSA-N 208.301 2.912 0 40 BFAB COc1cc2c(Cl)ncnc2cc1Cl 85221105 ZYPYZZMHOIUNOS-UHFFFAOYSA-N 229.066 2.945 0 40 BFAB in-vitro CCN(C(=O)NC1CCCCC1)c1ccncc1 89977076 XYXDQDLJZKMSFJ-UHFFFAOYSA-N 247.342 2.950 0 40 BFAB COc1ncccc1C(=O)OCc1ccsc1 91697245 RTCOMCKSKMBBEN-UHFFFAOYSA-N 249.291 2.509 0 40 BFAB O=C(O)CCO[C@@H](c1ccccc1)C(F)(F)F 95096462 FXDUWDBKJMRVDE-JTQLQIEISA-N 248.200 2.781 0 40 BFAB Cc1nccn1Cc1cccc(C(C)C)n1 95990942 FCYRIVKQTKPCNQ-UHFFFAOYSA-N 215.300 2.758 0 40 BFAB OCc1ccc(C(F)(F)F)c(Cl)c1F 96029418 QIXBTNLECKKJRT-UHFFFAOYSA-N 228.572 2.990 0 40 BFAB COC[C@@]12CCC[C@@H]1CN(Cc1ccoc1)C2 96109134 JINGZKUJMCPPCT-KGLIPLIRSA-N 235.327 2.528 0 40 BFAB CCCNC(=S)Nc1cc(C)c(Cl)cn1 223870660 WZXCHWOPTJDHLW-UHFFFAOYSA-N 243.763 2.740 0 40 BFAB CC(C)(C)CC1=NN[C@H]2CC(C)(C)CC(=O)[C@@H]12 228932476 LBHKEAOKZBYROH-JQWIXIFHSA-N 236.359 2.756 0 40 BFAB C[C@@H]1C(=O)[C@H](C)CN(Cc2ccccc2)[C@H]1C 238851222 FUZDNZXGTGKHSR-AGIUHOORSA-N 231.339 2.732 0 40 BFAB CC(C)c1ccc2c(c1)C(F)(F)C(=O)N2 252481037 CHADEBIZFPFMGG-UHFFFAOYSA-N 211.211 2.854 0 40 BFAB COC(=O)c1[nH]ccc1-c1ccc(F)cc1 258164692 RAOGQCNHULQAMY-UHFFFAOYSA-N 219.215 2.607 0 40 BFAB CN(Cc1cc2ccccc2o1)c1cnccn1 301486754 XXACBZYKJVTRGD-UHFFFAOYSA-N 239.278 2.859 0 40 BFAB CN1CC[C@H](c2c[nH]c3ccccc23)C1 1676213 GIUCRWSFDBHBDT-JTQLQIEISA-N 200.285 2.587 0 40 BFAB COC(=O)CCCOc1ccc(Cl)cc1C 2516067 FWDQLSHRVKQKBS-UHFFFAOYSA-N 242.702 2.980 0 40 BFAB in-vitro Cc1cc(C(=O)N2CCCC2)sc1C 2730952 AXFMLLAOLAJNPY-UHFFFAOYSA-N 209.314 2.601 0 40 BFAB O=C(O)C1(Cc2nc3ccccc3[nH]2)CCCC1 3888385 TWOKXLOYDCTMAJ-UHFFFAOYSA-N 244.294 2.750 0 40 BFAB C[C@H]1CC(=O)[C@H](C)CN1CCc1ccccc1 4831873 OCHGEROFEPMAMC-OLZOCXBDSA-N 231.339 2.529 0 40 BFAB Cc1ccc([C@H](O)[C@H](N)c2ccccc2)cc1 5546217 CPTGAOPLCQIBTJ-CABCVRRESA-N 227.307 2.728 0 40 BFAB CCOc1ccccc1C(=O)NC(C)(C)C 5593129 QDRZANWZRLAQQW-UHFFFAOYSA-N 221.300 2.614 0 40 BFAB CCSc1ccc(OC)c(C(=O)O)c1 5651035 ICHLZNKXBSZZON-UHFFFAOYSA-N 212.270 2.505 0 40 BFAB CO[P@]1(=O)OC(C)=C(C)c2cccn21 5757463 JJSRSAWPRLKWJC-AWEZNQCLSA-N 213.173 2.872 0 40 BFAB Cc1onc(C2CCCCC2)c1C(=O)O 19682372 ZYCDJLZFOUQYKT-UHFFFAOYSA-N 209.245 2.729 0 40 BFAB O=C(Nc1ccccc1F)c1cncs1 22073184 ZLDCJOZFCIXAQB-UHFFFAOYSA-N 222.244 2.535 0 40 BFAB CCC(=O)Nc1ccc2ccccc2n1 32731950 QAXHWMWOMJZFCA-UHFFFAOYSA-N 200.241 2.583 0 40 BFAB O=C(NCCSC1CCCC1)C1CCC1 40511059 QHCPHEKMAWEHAJ-UHFFFAOYSA-N 227.373 2.579 0 40 BFAB CC(C)C[C@@H](CO)NCC1CCCCC1 40773440 YNFXLTPTLLFBIS-ZDUSSCGKSA-N 213.365 2.563 0 40 BFAB CCOC(=O)c1cnc2ccc(C)cc2c1 45921513 CUUHXGARWNZEHX-UHFFFAOYSA-N 215.252 2.720 0 40 BFAB in-vitro C[C@@H](c1ccccn1)N(C(=O)C1CC1)C1CC1 47178088 XSUZOEVHUYTQMP-JTQLQIEISA-N 230.311 2.544 0 40 BFAB Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccco2)nc1 49376562 UOVCFOVTDOHRQN-WDEREUQCSA-N 242.278 2.725 0 40 BFAB CC(C)CN(CC[C@@H]1CCCNC1)CC(C)C 51919107 BGOPRNHENXAZHQ-HNNXBMFYSA-N 240.435 2.990 0 40 BFAB Cc1nccc(N2CCC[C@@H]2c2ccccn2)n1 72357339 KTGAVBNZIYVCPR-CYBMUJFWSA-N 240.310 2.522 0 40 BFAB Cc1ncsc1CN1CCC[C@@H]1c1ccn[nH]1 72366172 APSBXYRCFLYWTQ-LLVKDONJSA-N 248.355 2.512 0 40 BFAB CCCN(CC(=O)O)c1cc(C)ccc1C 76610616 USZLZSMZMSZICT-UHFFFAOYSA-N 221.300 2.604 0 40 BFAB CCc1nsc(N2CCc3ccccc3C2)n1 80761322 XLXHKBCJIXGKJN-UHFFFAOYSA-N 245.351 2.663 0 40 BFAB Oc1cc2c(cc1Br)CCCN2 82351141 OQXWULPNCBFWOJ-UHFFFAOYSA-N 228.089 2.513 0 40 BFAB C[C@@H](NCc1ccon1)c1ccccc1N(C)C 93946502 APDXKJJGXKYGBB-LLVKDONJSA-N 245.326 2.591 0 40 BFAB Cc1n[nH]c(C)c1CNc1nc2ccccc2o1 97160198 GRXLOFJFPZEDEW-UHFFFAOYSA-N 242.282 2.780 0 40 BFAB C[C@@H]1[C@@H]2CCC[C@H](C2=O)[C@@]2(O)CCCC[C@H]12 100742656 HZMOLOUVPKADBE-CYRBOEJBSA-N 222.328 2.543 0 40 BFAB C[C@@H](C[C@@H]1OC[C@@H](C)O1)c1ccccc1 101619925 JVVKHPVHCMSPGX-DMDPSCGWSA-N 206.285 2.942 0 40 BFAB Cc1ccc2c(c1)N(Cc1cncnc1)CCC2 180751000 YXGOTDHPAGQNRM-UHFFFAOYSA-N 239.322 2.738 0 40 BFAB CN1CCCCC[C@@H]2NC[C@@H](c3ccccc3)[C@@H]21 205680831 DZRGZBMMJQBUCX-JYJNAYRXSA-N 244.382 2.616 0 40 BFAB CC(C)c1cnn(-c2ccc(F)cc2)c1N 221325617 LMSQNFQLSLXJTL-UHFFFAOYSA-N 219.263 2.717 0 40 BFAB CCCCO[C@@H](Cc1ccccc1C)C(=O)O 225016772 LIOSRXNYAANXIX-ZDUSSCGKSA-N 236.311 2.807 0 40 BFAB CCCn1cc(Cl)c(COCC(F)F)n1 408716735 QJIRLEVIGMSBCT-UHFFFAOYSA-N 238.665 2.728 0 40 BFAB N[C@H]1C[C@H]1c1ncc(C(F)(F)F)cc1Cl 1857794786 UDDWKFFJOZBNBR-VDTYLAMSSA-N 236.624 2.568 0 40 BFAB COc1ccc(NC(=O)c2coc(C)c2)cc1 784165 FAXMGCOVVOJXQG-UHFFFAOYSA-N 231.251 2.849 0 40 BFAB CC(C)(C)c1nnc2cccc(Cl)n12 1394452 SZHNMGFPWQGAJO-UHFFFAOYSA-N 209.680 2.680 0 40 BFAB O=C1CC[C@@H]2CCc3ccccc3[C@@H]2O1 3848103 JMSDEBGLMQKUIE-GXFFZTMASA-N 202.253 2.627 0 40 BFAB biogenic CC[C@H](O)[C@@H](C[C@@H](C)N(C)C)c1ccccc1 4692416 KSDALSCOLZNRQY-SNPRPXQTSA-N 235.371 2.881 0 40 BFAB CC1(C)[C@H](O)CC[C@@]2(C)[C@@H](O)CCC[C@]12C 4825982 RRFARTUDYDSMBW-UVLXDEKHSA-N 226.360 2.725 0 40 BFAB CC(C)CC(=O)N(C)Cc1ccccc1 5497449 KSBUVPSHIODYKG-UHFFFAOYSA-N 205.301 2.691 0 40 BFAB CC[C@H](C)C(=O)Nc1ccc(Cl)cn1 5665484 ZJXLOQISZGLQIY-ZETCQYMHSA-N 212.680 2.720 0 40 BFAB CNC(=S)NC[C@@H](C)c1cc(C)ccc1C 7981181 SULVJSOUPAEIIG-LLVKDONJSA-N 236.384 2.501 0 40 BFAB CCC(CC)C(=O)Nc1ccc(N)cc1OC 8703537 GNMZUKAUJUOFRO-UHFFFAOYSA-N 236.315 2.652 0 40 BFAB NCC1(Nc2ccccc2)CCCCC1 8707045 GNUPSPJARRNNFS-UHFFFAOYSA-N 204.317 2.760 0 40 BFAB CC[C@@H](Cc1cccc(Cl)c1)C(=O)O 11976804 HUFFBCJQSUHEHC-VIFPVBQESA-N 212.676 2.993 0 40 BFAB CC[C@@H](C)NC(=O)[C@@H]1Cc2ccccc2S1 12894306 ZWLUHHNAQOLHGM-SKDRFNHKSA-N 235.352 2.618 0 40 BFAB Cc1c(Cl)c2ncccc2c2nc(N)n(C)c12 15020149 DERKFPUIILAJOW-UHFFFAOYSA-N 246.701 2.666 0 40 BFAB Cc1nc2[nH]c(=S)[nH]c2cc1Br 18193858 SYOILFGOWAYSAP-UHFFFAOYSA-N 244.117 2.691 0 40 BFAB in-vitro N[C@@H](c1ccc(Cl)cc1)[C@@H]1CCCO1 19414961 WHFDDFWZZVVGCH-QWRGUYRKSA-N 211.692 2.519 0 40 BFAB CCOc1ccc([C@H]2C[C@H]2[C@@H](C)O)cc1 20392458 ADGXOVIRURHYPI-JIMOISOXSA-N 206.285 2.570 0 40 BFAB CCCc1nc(Cl)nn1-c1ccccc1 22125611 IVVHBTUQQRBFOI-UHFFFAOYSA-N 221.691 2.873 0 40 BFAB C[C@@H](N)c1cccc(NC(=O)c2ccccc2)c1 22165622 APIGOJRNVDUCJS-LLVKDONJSA-N 240.306 2.959 0 40 BFAB C[C@H](N)c1cccc(NC(=O)c2ccccc2)c1 22165624 APIGOJRNVDUCJS-NSHDSACASA-N 240.306 2.959 0 40 BFAB Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2C)ccc1N 22217188 KOTMPFBBTGPNJL-QMTHXVAHSA-N 246.354 2.886 0 40 BFAB N[C@H](COc1ccccc1)c1ccc(F)cc1 23068857 SCHFXNFRXHJCIF-CQSZACIVSA-N 231.270 2.905 0 40 BFAB Cc1ccc(C(=O)N2CCOc3ccccc32)o1 25312505 ITFHEUNXLPVJQX-UHFFFAOYSA-N 243.262 2.627 0 40 BFAB CCCCCNC(=O)c1cc(F)ccc1F 28210778 CACINPFZYUABAC-UHFFFAOYSA-N 227.254 2.885 0 40 BFAB CC[C@H](C)NC(=O)c1cc(-c2cccs2)[nH]n1 32610904 WJKSUDOVFPGBAF-QMMMGPOBSA-N 249.339 2.667 0 40 BFAB CSc1ccccc1NC(=O)c1cccn1C 32958644 GZYCPMWJANSLAE-UHFFFAOYSA-N 246.335 2.999 0 40 BFAB Cc1ccccc1CN(C)C(=O)[C@@H]1C[C@H]1C 33000271 OZIRTQZYWORYAY-DGCLKSJQSA-N 217.312 2.609 0 40 BFAB CC[C@@H](N)c1cccc(Br)c1 35053761 MDAOMTRNTRIGOV-SECBINFHSA-N 214.106 2.859 0 40 BFAB Cc1cc(Br)cc2c1cnn2C 36533440 RMPNMZUBCSLGHV-UHFFFAOYSA-N 225.089 2.644 0 40 BFAB Fc1ccc(CCC2CCNCC2)c(F)c1 36906572 CBLLNYZZIRSKAY-UHFFFAOYSA-N 225.282 2.897 0 40 BFAB in-vitro CCc1noc(-c2cc(N)ccc2Cl)n1 37484028 OGNRVJIOGLXJKW-UHFFFAOYSA-N 223.663 2.535 0 40 BFAB c1ccc2c(c1)CC(N1CCCCC1)C2 39219918 UQWYOEMVDJHMGE-UHFFFAOYSA-N 201.313 2.640 0 40 BFAB CCNC(=O)N1CCC(c2ccccc2)CC1 43626248 VHZZMSQNFXHQLY-UHFFFAOYSA-N 232.327 2.596 0 40 BFAB O=c1ccoc2c(Br)cccc12 44604225 ZTAJUSDRMNWTJU-UHFFFAOYSA-N 225.041 2.556 0 40 BFAB CC(C)CCNC[C@@H](C)C(=O)OC(C)(C)C 47219062 WJYZYUSIIFUODF-LLVKDONJSA-N 229.364 2.600 0 40 BFAB CC(C)NC[C@@H]1CCCN(Cc2ccccc2)C1 53655395 HIBAQIRRTMTEJV-INIZCTEOSA-N 246.398 2.897 0 40 BFAB CCN(CC[C@@H](N)C(C)C)Cc1ccccc1 58058236 TVTZHNLICJZNAD-OAHLLOKOSA-N 234.387 2.882 0 40 BFAB Nc1c(-c2ccc(Cl)cc2)nc2ncccn12 61957797 DNXCYUIJNCTNQD-UHFFFAOYSA-N 244.685 2.632 0 40 BFAB Cc1cc(CNC(=O)C(C)(C)C)c(C)o1 70640322 LYSNKLGUVULJAV-UHFFFAOYSA-N 209.289 2.559 0 40 BFAB CC(C)CN1CCC[C@@H]1c1ccc(O)nc1 72212259 OMXZNEJKYYTTCN-GFCCVEGCSA-N 220.316 2.580 0 40 BFAB CC(C)CNc1ncccc1[C@@H]1CCCN1 72213236 WHNJYYCJLKHWJR-LBPRGKRZSA-N 219.332 2.574 0 40 BFAB O=C(C1CC=CC1)N1CCc2ccccc2C1 77732983 QHGVZWRUKLNWAL-UHFFFAOYSA-N 227.307 2.538 0 40 BFAB Cc1nn(Cc2ccccc2)c2c1[C@H](N)CCC2 82237875 UXSAECXCFPDYTR-CYBMUJFWSA-N 241.338 2.576 0 40 BFAB Cc1c(C(=O)O)c2cc(Cl)ccc2n1C 82600086 RWGBWJDBXQGYJH-UHFFFAOYSA-N 223.659 2.838 0 40 BFAB COc1cc(F)c(C(=O)C(C)C)cc1F 83255842 XNSOAQSNEHUDEM-UHFFFAOYSA-N 214.211 2.812 0 40 BFAB NCc1cccc(Cl)c1Br 84493797 XGMKXZRVMQAJMT-UHFFFAOYSA-N 220.497 2.561 0 40 BFAB Cc1ccc2nc(Cl)c(CC(=O)O)cc2c1 89261623 RVARFLJGFFSCQB-UHFFFAOYSA-N 235.670 2.824 0 40 BFAB Cc1nc2ccccc2n1-c1nccs1 94166097 XVQUHWCQWWEURH-UHFFFAOYSA-N 215.281 2.790 0 40 BFAB CCSCC[C@H](C)NC(=O)c1ccc(C)o1 95962188 KMGSLLRQCDRGGM-VIFPVBQESA-N 241.356 2.850 0 40 BFAB Nc1cccc(CCCc2ccccc2)n1 96190366 FYNOJXSGJVNVHI-UHFFFAOYSA-N 212.296 2.839 0 40 BFAB CCC(=O)NC[C@H](CC)Oc1ccccc1F 96451719 GBHYDXIXSYFVML-JTQLQIEISA-N 239.290 2.509 0 40 BFAB Cc1cc(CC2(C(=O)O)CC2)ccc1F 107149386 JNEVIHKGYWUJBT-UHFFFAOYSA-N 208.232 2.541 0 40 BFAB COc1cccc(CN2C[C@@H]3CCC[C@H]3C2)c1 154325798 DTQJERQLXVUJAM-KBPBESRZSA-N 231.339 2.927 0 40 BFAB CCCNc1ccc(N)cc1C(=O)OC(C)C 225451904 HOSHIOGNEBGHRF-UHFFFAOYSA-N 236.315 2.656 0 40 BFAB COc1cc2c(cc1C)[C@@H]1ON=C[C@@H]1CC2 408722127 FCYFANLEKNPWAY-GXFFZTMASA-N 217.268 2.623 0 40 BFAB COc1ccc2cc(N)c(OC(C)C)nc2c1 685938712 TVFKOAZDEQTMQE-UHFFFAOYSA-N 232.283 2.613 0 40 BFAB O=S1(=O)C=C(c2ccccc2)c2ccccc21 339242 MTBZLCFPAGYFDJ-UHFFFAOYSA-N 242.299 2.863 0 40 BFAB O=C(O)[C@H]1CCCC[C@H]1C(=O)Nc1ccccc1 397879 CMLOGIAOLIBOQF-NEPJUHHUSA-N 247.294 2.516 0 40 BFAB CC(C)CN1CCCc2cc(C=O)ccc21 1390496 GIDPODBYJWFZOV-UHFFFAOYSA-N 217.312 2.908 0 40 BFAB O=C(Nc1ccccc1)OCCc1ccccn1 1676495 OLDDQNYOPDGXIA-UHFFFAOYSA-N 242.278 2.873 0 40 BFAB COc1ccc(OC)c2[nH]c(C(F)(F)F)nc12 2017555 DVWDQEOXYVYICR-UHFFFAOYSA-N 246.188 2.599 0 40 BFAB O=C(c1cccc(CN2CCC2)c1)C1CCC1 2515149 KJUDTFTWGIOMSK-UHFFFAOYSA-N 229.323 2.875 0 40 BFAB C[C@H](Sc1ccc2ccccc2c1)C(N)=O 3382517 OPQCJVDYMZUBMC-VIFPVBQESA-N 231.320 2.806 0 40 BFAB C[C@@H]1CCCN(c2ccc(F)cc2N)C1 4417985 MXHWGHJBQPQAJS-SECBINFHSA-N 208.280 2.644 0 40 BFAB in-vitro O=C(O)C[C@H]1CC[C@H]2C[C@@H](O)c3cccc1c32 5085141 KARFLYYFKRUEQF-VDDIYKPWSA-N 232.279 2.559 0 40 BFAB O=C(Cc1ccsc1)NCc1ccccc1F 6610656 WMSMSBUEUGEGQN-UHFFFAOYSA-N 249.310 2.746 0 40 BFAB Cc1ccc(CCC(=O)NCC(C)C)cc1 10368474 PFWJQHRGUNOSQV-UHFFFAOYSA-N 219.328 2.700 0 40 BFAB CCOc1ccc(CNC(C)C)cc1OCC 10436097 SGHGEYZDXWBWTG-UHFFFAOYSA-N 237.343 2.982 0 40 BFAB Cc1cccc(CSc2nc(C)n[nH]2)c1 11702673 RKSMULUAHZZXEN-UHFFFAOYSA-N 219.313 2.714 0 40 BFAB CCc1ccccc1NC(=O)CCSC 12866532 SZCBFLGJSHVXEX-UHFFFAOYSA-N 223.341 2.941 0 40 BFAB Cc1occc1C(=O)N1CCn2cccc2[C@@H]1C 12911865 GMQHKVONWKOMRT-JTQLQIEISA-N 244.294 2.607 0 40 BFAB CC(C)N1CCN([C@H]2CCC[C@@H](C)C2)CC1 19626689 LVBUTDHJTGWQAN-KGLIPLIRSA-N 224.392 2.591 0 40 BFAB Nc1ccnn1Cc1cccc(C(F)(F)F)c1 19689186 NVJINZOVBFSNKV-UHFFFAOYSA-N 241.216 2.532 0 40 BFAB COCCN[C@H](C)c1ccc(C)c(C)c1 19881722 FRQVLSAZNGJQJE-GFCCVEGCSA-N 207.317 2.600 0 40 BFAB Cc1ccccc1C(=O)Nc1ccc(CN)cc1 20224322 BIFHUXJGZWLOOI-UHFFFAOYSA-N 240.306 2.706 0 40 BFAB Cc1cnnc2c(Br)cccc12 26507288 NFXNYBCKEYDLMU-UHFFFAOYSA-N 223.073 2.701 0 40 BFAB in-vitro O=C(CCc1ccsc1)N1CCCCC1 32731143 BUSUQAQCUGJIOR-UHFFFAOYSA-N 223.341 2.693 0 40 BFAB O=C(NC1CC1)c1cccc(-c2nccs2)c1 41450913 DCOKDVQGVAISFX-UHFFFAOYSA-N 244.319 2.702 0 40 BFAB Cc1ccccc1NCCC(=O)NC1CCCC1 58264916 FXFVMECCGZWYIY-UHFFFAOYSA-N 246.354 2.856 0 40 BFAB O=c1[nH]c(-c2cccs2)cn1-c1ccccc1 61966038 GRMSGOYFLAYQEM-UHFFFAOYSA-N 242.303 2.894 0 40 BFAB Nc1ccc(-c2cn(-c3ccccc3)nn2)cc1 71256181 AYTGQSMEAHRXBK-UHFFFAOYSA-N 236.278 2.517 0 40 BFAB CC[C@H](C)Nc1ncccc1C1=NCCC1 72213356 ZUBOJDBEZGADHZ-JTQLQIEISA-N 217.316 2.875 0 40 BFAB Clc1ccccc1CNc1ccon1 83345597 HHEJULHPXCMDAQ-UHFFFAOYSA-N 208.648 2.940 0 40 BFAB CC1(C)C(=O)C[C@@H]1OCc1ccccc1 85504400 OQYCKJLAKYHLTP-LBPRGKRZSA-N 204.269 2.571 0 40 BFAB in-vitro COc1cc(OC)cc(C(=O)C(C)(C)C)c1 87124014 PUBNCUOCPCZDOI-UHFFFAOYSA-N 222.284 2.933 0 40 BFAB C[C@H](NC1COC1)c1cccc(C(F)(F)F)c1 94710054 HQWURGWMKGTQQO-QMMMGPOBSA-N 245.244 2.755 0 40 BFAB CCOC(=O)CCCCOc1cccc(F)c1 95733937 XUMPNAHJVDFMDK-UHFFFAOYSA-N 240.274 2.938 0 40 BFAB C1=C[C@H]2C[C@H]1C[C@@H]2CNCc1ccco1 100002042 HLSOEDHCUUNGPI-SDDRHHMPSA-N 203.285 2.581 0 40 BFAB O=C1C[C@H]2CCC[C@](Br)(C1)C2 117304412 QPXRGUYAQFPXGX-VXNVDRBHSA-N 217.106 2.673 0 40 BFAB CSc1ccc(-c2ccc(C(N)=O)cn2)cc1 138499685 HVQKDDBNUAQUBR-UHFFFAOYSA-N 244.319 2.569 0 40 BFAB CC1CCC(NC(=O)c2cncc(F)c2)CC1 164277843 LWYNFGJOUMPLDB-UHFFFAOYSA-N 236.290 2.529 0 40 BFAB CCc1ccc(N2CCN[C@H]3CCCC[C@@H]32)cc1 225713484 HZECFFBNOMNDNS-HOTGVXAUSA-N 244.382 2.970 0 40 BFAB CC(C)[C@@H](O)c1cnc2c(c1)CCCC2 252483398 FAUNBFAQZYHMPI-CYBMUJFWSA-N 205.301 2.650 0 40 BFAB Nc1n[nH]c2cc(C(F)(F)F)cc(Cl)c12 261507419 IGPFHQMHQNYMKE-UHFFFAOYSA-N 235.596 2.817 0 40 BFAB COc1ccc(N)cc1Oc1ccc(N)cc1F 1857794541 XSABFESBONICHE-UHFFFAOYSA-N 248.257 2.791 0 40 BFAB CSC(=S)Nc1ccc(NC(C)=O)cc1 135314 YUOPOWBFBCYNOR-UHFFFAOYSA-N 240.353 2.705 0 40 BFAB Cc1nc(NC(=O)c2ccccc2O)sc1C 318167 MIJUVXDVRDGOIN-UHFFFAOYSA-N 248.307 2.718 0 40 BFAB O=Cc1cc(-c2cccs2)ccc1O 349989 JDXKZIUDWWNBDM-UHFFFAOYSA-N 204.250 2.933 0 40 BFAB S=C(S)Oc1cccc2cccnc12 1676193 HWLGYUIKHPWLDJ-UHFFFAOYSA-N 221.306 2.828 0 40 BFAB c1cc2c(cc1[C@@H]1CCCCCN1)OCO2 3734984 WYMGDSKJVNFXPB-NSHDSACASA-N 219.284 2.620 0 40 BFAB COc1cc2c(cc1NC(C)=O)CCCC2 5613308 JASUCDWRRDXKPU-UHFFFAOYSA-N 219.284 2.532 0 40 BFAB CC[C@H](Oc1ccccc1)C(=O)NCC(C)C 6048853 ZXHOOQJKLWYUHK-ZDUSSCGKSA-N 235.327 2.616 0 40 BFAB COC(=O)NC(=S)c1cccc2ccccc12 6626257 YBIABTNWYFHKFM-UHFFFAOYSA-N 245.303 2.871 0 40 BFAB C[C@@H]1CN=C(N[C@@H]2CCCC[C@H]2C)S1 7991124 JAFZMDNLUBMVJS-OPRDCNLKSA-N 212.362 2.646 0 40 BFAB Cc1ccccc1NCc1ccc(C(=O)O)o1 8702184 AHQJPQGAVRCKRG-UHFFFAOYSA-N 231.251 2.898 0 40 BFAB Cc1cc(NC(=O)C(C)(C)C)ccc1N 8703483 UFQRXZZRXIUJQE-UHFFFAOYSA-N 206.289 2.562 0 40 BFAB CCOc1cc(CNC(C)C)ccc1OC 10436100 JSXLYMBNKXMBMW-UHFFFAOYSA-N 223.316 2.592 0 40 BFAB Cc1ccccc1CN1C[C@H]2CCCN2C[C@H]1C 19237152 SQOWSENQVLOOAZ-GDBMZVCRSA-N 244.382 2.664 0 40 BFAB N[C@H](c1ccc(F)c(F)c1)C(F)(F)F 19968502 DJPOWOYWMLEUNF-SSDOTTSWSA-N 211.133 2.527 0 40 BFAB NCc1ccc(NC(=O)c2ccccc2F)cc1 20224325 RBARUADTZUPJEU-UHFFFAOYSA-N 244.269 2.537 0 40 BFAB CC(=O)CCc1c[nH]c2cccc(F)c12 20269288 YBSRLLVZSFFESQ-UHFFFAOYSA-N 205.232 2.829 0 40 BFAB CCc1cccc2sc(NC(N)=S)nc12 22124907 KKOZFPWSSCAWAU-UHFFFAOYSA-N 237.353 2.514 0 40 BFAB Cc1ccc(C(=O)N(C)C2CCCCC2)cc1N 22172032 NDPQOUJCRIRAGP-UHFFFAOYSA-N 246.354 2.982 0 40 BFAB O=C(N1CCCCC1)C1(c2ccccc2)CC1 23239186 FZDRCQRAUODFQZ-UHFFFAOYSA-N 229.323 2.731 0 40 BFAB Cc1nc2ccccc2n1[C@@H](C)C(=O)OC(C)C 26474487 SGHRECRYVSVICA-JTQLQIEISA-N 246.310 2.857 0 40 BFAB CCN(CC)c1ccc2nc(N)sc2c1 31893773 HVEZEMFGHFXXHV-UHFFFAOYSA-N 221.329 2.725 0 40 BFAB CC(=O)c1ccc(Cl)c(Cl)c1O 34241621 IAPWSRGXLFGVQR-UHFFFAOYSA-N 205.040 2.902 0 40 BFAB in-vitro CNC(=S)Nc1ccc(-c2ccccc2)cn1 34543092 GAUQDXJOKPYNCQ-UHFFFAOYSA-N 243.335 2.665 0 40 BFAB Cc1ccc([S@](=O)Cc2ccccn2)cc1 34633048 FLMKPKKHAAJSED-INIZCTEOSA-N 231.320 2.698 0 40 BFAB CNCc1cc(C)c(OCC(F)(F)F)c(C)c1 34656728 YVLIDZHXBCPNNJ-UHFFFAOYSA-N 247.260 2.964 0 40 BFAB O=C(Cc1ccccc1F)c1ccncc1 37464036 HKSWXKGSMUWAIP-UHFFFAOYSA-N 215.227 2.646 0 40 BFAB CCN1C(=O)C(Cl)(Cl)c2ccccc21 40163996 XJURKUBFFGLVND-UHFFFAOYSA-N 230.094 2.684 0 40 BFAB C[C@@H]1CCCCN1c1cc(Cl)ncn1 40422433 OUMAMNHWQNPJHE-MRVPVSSYSA-N 211.696 2.509 0 40 BFAB O=C(CC[C@H]1CCCO1)Nc1ccc(F)cc1 40505845 PQJFOFGSCWSRKR-GFCCVEGCSA-N 237.274 2.723 0 40 BFAB O=C(NC1CC1)c1cc(-c2ccc(F)cc2)c[nH]1 42384321 NANLCXDWEZKNPX-UHFFFAOYSA-N 244.269 2.713 0 40 BFAB Clc1cccc(NCc2ccncc2)n1 42784045 MJSMOVNBFDNBIQ-UHFFFAOYSA-N 219.675 2.742 0 40 BFAB in-vitro COc1ccccc1C(=O)c1ccnc(C)c1 45038417 GKQOUMZPECBKMT-UHFFFAOYSA-N 227.263 2.630 0 40 BFAB Cc1nc2ccccc2nc1SCCC(=O)O 55368335 BQCWMLIXQKHSOM-UHFFFAOYSA-N 248.307 2.505 0 40 BFAB CC(=O)Oc1ccc(C2CCC(=O)CC2)cc1 69854926 KMNPGEXBLBNKAC-UHFFFAOYSA-N 232.279 2.839 0 40 BFAB Cc1cc(N(C)c2ccccc2)ncc1CCO 72223356 GQLXBJSFYGGLAE-UHFFFAOYSA-N 242.322 2.693 0 40 BFAB CC[C@H](O)c1cnc(N2CCCCC2)cc1C 72223499 AVIQVKDIKHFLHI-ZDUSSCGKSA-N 234.343 2.824 0 40 BFAB O=C(c1ccccc1)c1ccc(NC2CC2)nc1 72225695 XJHBSTXYDCPEDD-UHFFFAOYSA-N 238.290 2.887 0 40 BFAB CC(C)CC(=O)N1CCCC[C@H]1c1cnccn1 72361276 VADKTZRTGFMYMB-ZDUSSCGKSA-N 247.342 2.576 0 40 BFAB Clc1nc2ccccc2c2[nH]cnc12 80602747 SHKUAAUCZDOPDI-UHFFFAOYSA-N 203.632 2.765 0 40 BFAB COc1ccccc1-c1scnc1C(=O)O 83239550 FQIXYRSCEORPTO-UHFFFAOYSA-N 235.264 2.517 0 40 BFAB Cc1ccc(CN(C)C[C@H]2CCOC2)cc1C 93840150 DZDGHVPNHLVLSA-OAHLLOKOSA-N 233.355 2.772 0 40 BFAB O=C(O)CN1CCC[C@@H]1c1cccc(Cl)c1 95960014 UBGKSUZGRGMOIL-LLVKDONJSA-N 239.702 2.562 0 40 BFAB COc1ccc2c(c1)C1[C@H]3C4C5[C@@H]3C2[C@H]5[C@H]14 101037047 ACYLUOJGJPYKPD-KHKWUMKNSA-N 210.276 2.628 0 40 BFAB Cc1ncnc(NCCCc2ccccc2)c1F 226314027 GQUBNQMPJVXMLJ-UHFFFAOYSA-N 245.301 2.969 0 40 BFAB CC(C)CCNCc1cc(C(F)(F)F)n(C)n1 256054885 YEPOWKWVFUCQIL-UHFFFAOYSA-N 249.280 2.575 0 40 BFAB CCCOCC(F)(F)[C@H](F)C(F)(F)F 1083807951 HLUHCCBQPVVWTJ-YFKPBYRVSA-N 224.144 2.949 0 40 BFAB Clc1ccc(COn2ccnc2)cc1Cl 1387016 CMSWWFMRQPERAA-UHFFFAOYSA-N 243.093 2.819 0 40 BFAB O=C(COc1ccccc1)OC1CCCC1 1600780 BFAYFZJQCAFXSB-UHFFFAOYSA-N 220.268 2.551 0 40 BFAB C1=CCSC(Nc2ccccc2)=NC1 1717367 CCKIUHRFEULLJB-UHFFFAOYSA-N 204.298 2.758 0 40 BFAB COc1cccc(C(=O)Nc2ccc(O)cc2)c1 3076633 QLVITBILUDGWOS-UHFFFAOYSA-N 243.262 2.653 0 40 BFAB O=CN[C@@H]1[C@H]2CCC[C@@H]1CC1=C2CCCC1 4026895 OPGGUOVDVBLPOW-XBFCOCLRSA-N 219.328 2.792 0 40 BFAB biogenic CC[C@H](C)NC(=O)c1c(C)oc(C)c1C 12947770 HRVDPCVFEWKKPC-ZETCQYMHSA-N 209.289 2.733 0 40 BFAB Nc1ccc(F)c(NC(=O)c2ccccc2F)c1 19736629 KCXQRGIPOYYMAY-UHFFFAOYSA-N 248.232 2.799 0 40 BFAB CCOc1ccc([C@@H](C)NC[C@H]2CCCO2)cc1 19963694 GWZHNODLZKJLGW-IUODEOHRSA-N 249.354 2.915 0 40 BFAB C[C@H]1CCC[C@@H](NC(=O)Cc2cccc(N)c2)C1 20155075 JANYZCITEHGONU-SMDDNHRTSA-N 246.354 2.506 0 40 BFAB CC[C@@H](C)OC(=O)c1ccc(Cl)cc1N 20156085 PXQZHAMZJSLQKW-SSDOTTSWSA-N 227.691 2.878 0 40 BFAB CCOc1ccc2c(C)c(C(=O)O)oc2c1 26467028 OOEBBGKHPMIOJO-UHFFFAOYSA-N 220.224 2.838 0 40 BFAB O=C(O)c1cccc2c(-c3cccs3)[nH]nc12 31990429 GHFUBGSHOHQWMD-UHFFFAOYSA-N 244.275 2.990 0 40 BFAB CC1(C)CCC[C@@]2(C)[C@@H](CO)C(CO)=CC[C@H]12 34182544 KUTDAKOPPDXZDV-GUTXKFCHSA-N 238.371 2.750 0 40 BFAB biogenic,in-vitro Cc1cccc(C(=O)O)c1OCC(C)C 37729608 JZXOMPONKWBDSH-UHFFFAOYSA-N 208.257 2.728 0 40 BFAB CC(C)C[C@@H](C)NC(=O)OC(C)(C)C 39091350 SXUQFEPQZOVWBN-SECBINFHSA-N 201.310 2.946 0 40 BFAB CC(C)(C)c1cccc(/C=C/C(=O)O)c1O 44201243 DPYMUMUEIWWXCZ-BQYQJAHWSA-N 220.268 2.788 0 40 BFAB CCOc1ccc([C@@H](O)c2ccc(N)cc2)cc1 53993796 YUVAUPWFMSEICG-HNNXBMFYSA-N 243.306 2.749 0 40 BFAB Cc1nccn1C[C@@H](C)OC(=O)CC(C)(C)C 75109494 WBOZSOHZUZVUJC-SNVBAGLBSA-N 238.331 2.559 0 40 BFAB Fc1ccc(NCc2ccc3c(c2)CCO3)nc1 83372537 PRBINVDFQIGDNG-UHFFFAOYSA-N 244.269 2.768 0 40 BFAB CCOC(=O)[C@@H](CC)Sc1ccncc1 87110008 CJFBHMCCFPDPGD-SNVBAGLBSA-N 225.313 2.515 0 40 BFAB CC(C)c1cc(C(=S)S)c(O)cc1O 89157201 HWRNABBONOFDIQ-UHFFFAOYSA-N 228.338 2.827 0 40 BFAB CCOC(=O)[C@@H](C)Cc1ccc(C)cc1 95347619 UPJAGKHUQZSQSK-NSHDSACASA-N 206.285 2.737 0 40 BFAB in-vitro CC(=O)N1CCCC2(CCCCCC2)C1 95403671 JPZFTAQMOATKEN-UHFFFAOYSA-N 209.333 2.969 0 40 BFAB Fc1ccc(S)c(CN2CCSCC2)c1 95738816 ZNFSUHTZHDGALY-UHFFFAOYSA-N 243.372 2.663 0 40 BFAB CCCCCOc1cc(F)ccc1CO 95739752 MTYORFLVPSHIRF-UHFFFAOYSA-N 212.264 2.887 0 40 BFAB CCc1ocnc1C(=O)N1CCC[C@H]2CCC[C@@H]21 95961474 LAQCBEDXJHOIOM-MNOVXSKESA-N 248.326 2.642 0 40 BFAB COc1ccc(-n2nc(C(C)(C)C)cc2O)cc1 102003762 CGZWAIJOXYVESR-UHFFFAOYSA-N 246.310 2.884 0 40 BFAB CCCOCC(=O)Nc1cccc(C)c1C(C)=O 157905622 SLZRLCGCIJSTQM-UHFFFAOYSA-N 249.310 2.563 0 40 BFAB CC1=CCC[C@H](C)[C@@H]1CN1CC[C@H]([C@@H](C)O)C1 191113438 MPDKATDRFAEOKI-LJISPDSOSA-N 237.387 2.682 0 40 BFAB N[C@H]1CCCC[C@@H]1Nc1cc(F)ccc1F 218865724 PIDZLGQUGGFAJB-QWRGUYRKSA-N 226.270 2.647 0 40 BFAB O=C1CCc2c(ccc(Cl)c2Cl)N1 225811300 NPZWDKAHJBPSHN-UHFFFAOYSA-N 216.067 2.878 0 40 BFAB Cc1cccc(-c2ncnc(Cl)c2N)c1 256049618 AQZNHUJVTRNFQT-UHFFFAOYSA-N 219.675 2.688 0 40 BFAB CC(C)CCNCc1ccnn1C(C)C 256053758 SSGBCCZCFQRXNC-UHFFFAOYSA-N 209.337 2.600 0 40 BFAB CCC(CC)(CNC1CSC1)SC 308229660 OESCXLJZFWSFSW-UHFFFAOYSA-N 219.419 2.613 0 40 BFAB CC(=O)OC(C)(C)C(=O)c1cccc(Cl)c1 382682919 CIXHFUDXYNFLNU-UHFFFAOYSA-N 240.686 2.864 0 40 BFAB COC(=O)CCCC(=O)c1ccc(C)cc1F 575361786 HRFLORLGWVOJIG-UHFFFAOYSA-N 238.258 2.660 0 40 BFAB Cc1csc2c(N)ncc(Br)c12 953051460 ZYNROEYKPJPCIT-UHFFFAOYSA-N 243.129 2.949 0 40 BFAB COc1cccc(NC(=O)/C=C/c2ccco2)c1 574530 FEZDGFGQUNISGF-BQYQJAHWSA-N 243.262 2.940 0 40 BFAB O=C(c1cccc(CN2CCCC2)c1)C1CC1 2515093 HNSKIIVSTUOTFR-UHFFFAOYSA-N 229.323 2.875 0 40 BFAB COc1cccc(C(=O)c2cccc(OC)c2)c1 2574623 CRMSZGRTWXOBKL-UHFFFAOYSA-N 242.274 2.935 0 40 BFAB CCOc1ccccc1NC1=N[C@@H](C)CS1 3227234 YEJAEBLVFZEWII-VIFPVBQESA-N 236.340 2.989 0 40 BFAB COc1ccccc1NC1=NC(C)(C)CS1 3246181 CPOBBOSOPLSMTE-UHFFFAOYSA-N 236.340 2.989 0 40 BFAB C[C@@H]1CCCC[C@@]1(O)[C@H](C(=O)O)c1ccccc1 4683102 LSEQDEFEFOPADI-ZLDLUXBVSA-N 248.322 2.796 0 40 BFAB Cc1ccc(F)cc1NC(=O)[C@@H]1C[C@@H]1C 5698967 FRGJTDTVLSBURU-WCBMZHEXSA-N 207.248 2.729 0 40 BFAB COc1ccc2c(C)[nH]c(=S)nc2c1 6059507 LFJZGNJUJVFXSQ-UHFFFAOYSA-N 206.270 2.609 0 40 BFAB Cc1cccc(NC2=NCCS2)c1C 6391369 WTZISCCIAMPNCV-UHFFFAOYSA-N 206.314 2.818 0 40 BFAB O=C(NCc1ccccc1Cl)c1ccccn1 6433029 WGTGGBQAQBELJD-UHFFFAOYSA-N 246.697 2.665 0 40 BFAB CC[C@@H](C)NC(=S)Nc1cccc(OC)c1 7522281 BSYOVKUAUVXXRS-SECBINFHSA-N 238.356 2.780 0 40 BFAB CCC[C@@H](C)C(=O)Nc1cccc(N)c1C 8703439 QDLRIQSUTILROK-SECBINFHSA-N 220.316 2.952 0 40 BFAB CCC[C@H](C)C(=O)Nc1ccc(N)c(C)c1 8703490 MQYMIRFHCDOPTP-VIFPVBQESA-N 220.316 2.952 0 40 BFAB Cc1cc(C(=O)Nc2cc(F)cc(F)c2)no1 8718580 FWYVUTCIOVOMGY-UHFFFAOYSA-N 238.193 2.514 0 40 BFAB CCNC(=O)N1CC=C(c2ccc(F)cc2)CC1 9479566 MLSDVVBSHPWLIH-UHFFFAOYSA-N 248.301 2.644 0 40 BFAB CC[C@H](Cc1ccccc1Cl)C(=O)O 11976799 NETUDYPBFNJKOB-MRVPVSSYSA-N 212.676 2.993 0 40 BFAB O=C(N[C@H](c1ccccc1)C1CC1)C1CC1 12847236 TZOAOHYZHXPCPD-CYBMUJFWSA-N 215.296 2.664 0 40 BFAB CC(=O)Nc1cc(C)c2ccccc2n1 12921701 ITHVJNVPTVYHBI-UHFFFAOYSA-N 200.241 2.502 0 40 BFAB CC(C)[C@@H](NCc1ccccc1Cl)C(=O)O 19787750 BZZDYPIEOAOHTL-LLVKDONJSA-N 241.718 2.539 0 40 BFAB in-vitro C[C@@H]1CCCN([C@@H](CN)c2cccc(F)c2)C1 22163605 AQJWATPQMKGMEX-RISCZKNCSA-N 236.334 2.557 0 40 BFAB O=C(Nc1cccc2cn[nH]c12)[C@H]1CC=CCC1 25713067 UWFYEHSTWVABHR-JTQLQIEISA-N 241.294 2.858 0 40 BFAB Cc1cccc(N2CCN(C(C)C)CC2)c1 32851056 NFHMBAALDPBYDI-UHFFFAOYSA-N 218.344 2.525 0 40 BFAB Cc1cc(CNC(=O)C(C)(C)C)ccc1F 32904050 VRFVTRKYQRNWCS-UHFFFAOYSA-N 223.291 2.796 0 40 BFAB Cc1cccc(Cc2sc(N)nc2C)c1 35250894 WUAKMVRSFZDZCX-UHFFFAOYSA-N 218.325 2.933 0 40 BFAB in-vitro C[C@@H](Nc1ncnc2ccccc12)[C@H]1CCCO1 37493050 QORNVGIUSDIGEH-ZWNOBZJWSA-N 243.310 2.609 0 40 BFAB CC[C@@H]1CCCCN1C(=O)CC[C@@H]1CCCO1 40505756 KFNWMMBKCVDUQE-OLZOCXBDSA-N 239.359 2.737 0 40 BFAB Cc1ccc([C@H](NC(=O)C2CC2)C2CC2)cc1 44893051 XBIPSFCNUMPFQE-AWEZNQCLSA-N 229.323 2.972 0 40 BFAB CC1CCN(Cc2nc(C(C)(C)C)no2)CC1 48341292 XIMBCFHMZQXYLQ-UHFFFAOYSA-N 237.347 2.599 0 40 BFAB Fc1ccc(F)c(NCCCn2ccnc2)c1 49327673 CSNBQWKDKHQADT-UHFFFAOYSA-N 237.253 2.664 0 40 BFAB CC1(C)N=C(S)C(c2cccs2)=N1 67172544 ZEADMGDCTMWPMT-UHFFFAOYSA-N 210.327 2.615 0 40 BFAB COc1ccc(C)cc1NC(=O)c1cccn1C 67848909 YIDATYUPKMQLSP-UHFFFAOYSA-N 244.294 2.594 0 40 BFAB CCS[C@@H]1CCN(c2ccccc2)C1=O 68953464 HNMUEQPVBKCXNW-LLVKDONJSA-N 221.325 2.545 0 40 BFAB Cc1cnn([C@@H](C)[C@H](C)NC2CCCC2)c1 69459576 WOMVUBFQIYZZAD-RYUDHWBXSA-N 221.348 2.673 0 40 BFAB CCOc1cccc(/C=C/C(=O)O)c1Cl 72209080 ONXDGAUIDVKAPW-VOTSOKGWSA-N 226.659 2.837 0 40 BFAB Cc1cc(N(C)C)ncc1[C@@H](O)c1ccccc1 72223109 ZBRHQZCCNRWTJN-HNNXBMFYSA-N 242.322 2.538 0 40 BFAB Cc1cc(S)ncc1[C@@H](N)c1ccccc1 72223794 SJWPBXWKRJQQEX-ZDUSSCGKSA-N 230.336 2.727 0 40 BFAB CC(C)(C)CNC(=O)c1ccc(F)cc1F 75909848 BSTYGUFDDHJXNI-UHFFFAOYSA-N 227.254 2.741 0 40 BFAB CC(C)=CC(=O)N1CCOC[C@H]1c1ccccc1 76068306 ZERBPDKPUXZRFH-AWEZNQCLSA-N 245.322 2.553 0 40 BFAB OC1(c2ccc(Cl)cc2Cl)CCNCC1 79033309 ZZSDRLMASXBWPX-UHFFFAOYSA-N 246.137 2.564 0 40 BFAB CCCOC(C(F)(F)F)C(F)(F)F 82033024 QBQYFAFJEXKGLJ-UHFFFAOYSA-N 210.117 2.906 0 40 BFAB CNCc1c(C)[nH]c2ccc(OC(C)C)cc12 82604455 WBOSONCGYDYDGQ-UHFFFAOYSA-N 232.327 2.983 0 40 BFAB C[C@H](Nc1ccc(F)cc1)C(=O)OC(C)(C)C 84222797 WAKBBAZGBXXVKE-VIFPVBQESA-N 239.290 2.968 0 40 BFAB CC(C)Oc1ccccc1C(F)(F)C(=O)O 87511590 YIAOVOKKRKGEEZ-UHFFFAOYSA-N 230.210 2.650 0 40 BFAB O=c1[nH]c2ccc(Cl)c(Cl)c2s1 95950094 WMLFZYAFTURKKN-UHFFFAOYSA-N 220.080 2.896 0 40 BFAB COc1c(C)cc(C(=O)O)cc1C(F)(F)F 96029406 QUPPMFMWSDFHRQ-UHFFFAOYSA-N 234.173 2.721 0 40 BFAB COCC[C@H](C)NCc1cc(F)ccc1C 97232504 MJOZPEVOSYQSPD-NSHDSACASA-N 225.307 2.649 0 40 BFAB CCCCNCc1cnn(C(C)C)c1C 256052578 NXAVLRHMWVXQGX-UHFFFAOYSA-N 209.337 2.662 0 40 BFAB CCO/C=C/c1ccc2ncncc2c1 261506830 BJQNFZCMQHPCSY-AATRIKPKSA-N 200.241 2.637 0 40 BFAB Cc1ccc(OC(=O)c2ccncc2)c(C)c1 363915 AFCCLBUREOJUEH-UHFFFAOYSA-N 227.263 2.918 0 40 BFAB CCCCCC[C@@H]1OC[C@H](CCCCO)O1 1674885 MICLGFWYTNNRFS-QWHCGFSZSA-N 230.348 2.861 0 40 BFAB CC[C@H](C)NC(=O)/C=C/c1ccc(OC)cc1 3158855 ZQFKSKGWRUVUNX-HUYFXPKMSA-N 233.311 2.623 0 40 BFAB Cc1cc2[nH]c3ccc(Cl)cc3n2n1 16284076 BEAODNOSUDWSGQ-UHFFFAOYSA-N 205.648 2.777 0 40 BFAB Nc1ccc(-c2cccc(F)c2)cc1C(=O)O 16946165 OAAQBJSBYOFGJK-UHFFFAOYSA-N 231.226 2.773 0 40 BFAB COc1ccccc1[C@H](C(=O)O)C(C)C 19726449 QROVZXRIIBUUKK-LLVKDONJSA-N 208.257 2.519 0 40 BFAB CC[C@H](Oc1cccc(C)c1)C(=O)NC(C)C 20110952 BERYUYPVSWKAKG-ZDUSSCGKSA-N 235.327 2.677 0 40 BFAB C[C@@H]1CCC[C@@H](C)N1C(=O)Cc1cccc(N)c1 20155040 YNPJUXFEXLHREX-VXGBXAGGSA-N 246.354 2.601 0 40 BFAB O=C(O)c1cncnc1Nc1ccccc1Cl 20385773 PAZGRXRUJJIWSB-UHFFFAOYSA-N 249.657 2.572 0 40 BFAB O=C(Nc1cccc2cnccc12)C1CC1 21217798 ASBFPGDAEUOWJR-UHFFFAOYSA-N 212.252 2.583 0 40 BFAB COc1ccccc1[C@H](C)NC(=O)C=C(C)C 23154557 MWASXIHQRPILFL-NSHDSACASA-N 233.311 2.839 0 40 BFAB CC(C)Cn1nccc1NC(=O)c1ccsc1 28099007 KNNGTJGVOAUJLE-UHFFFAOYSA-N 249.339 2.853 0 40 BFAB CCOC(=O)c1ccc(Cl)c(OC)c1 28278525 YDDZYHMTWTWMAO-UHFFFAOYSA-N 214.648 2.525 0 40 BFAB O=C(O)/C=C\c1cccc(C(F)(F)F)c1F 33364685 COMXMQQELIPMID-PLNGDYQASA-N 234.148 2.942 0 40 BFAB O=c1[nH]c(-c2ccccc2Cl)cs1 34669871 VFKMIMZLKKBRND-UHFFFAOYSA-N 211.673 2.757 0 40 BFAB in-vitro CCOCCCNC(=O)c1ccc(Cl)s1 36395912 NRNBMZDRUVECPX-UHFFFAOYSA-N 247.747 2.558 0 40 BFAB CC(C)(C)c1nn(C(C)(C)C)cc1C(=O)O 36894456 MHSIHRZPQNUXAH-UHFFFAOYSA-N 224.304 2.634 0 40 BFAB Cc1ccc(-c2c[nH]cc2C(=O)O)s1 37245332 SKSCFSYWRYCRKN-UHFFFAOYSA-N 207.254 2.750 0 40 BFAB in-vitro CONC(=O)/C=C(\C)C12CC3CC(CC(C3)C1)C2 56696989 GKLQITDDQPGRGE-XCVCLJGOSA-N 249.354 2.827 0 40 BFAB CCCCOC(=O)c1ccc(N)c(Cl)c1 57351488 CLNUNIYTPDBRIM-UHFFFAOYSA-N 227.691 2.879 0 40 BFAB CCCc1noc(CN2CCCC[C@@H]2CC)n1 58283227 OYCCFWXWBIGDDM-NSHDSACASA-N 237.347 2.787 0 40 BFAB O=C(O)c1cc(/C=C/c2ccccc2F)on1 64875979 IFQVMJUQFKSKHB-AATRIKPKSA-N 233.198 2.682 0 40 BFAB O=C(O)c1ccc2ccn(CC(F)F)c2c1 68955087 INNWLLCIYIWCFL-UHFFFAOYSA-N 225.194 2.605 0 40 BFAB O=C(CC1CCCC1)N1CCCc2ncccc21 69347653 WSWKJDAQIQAZFW-UHFFFAOYSA-N 244.338 2.941 0 40 BFAB CCOc1cccc2c(C)cc(N)nc12 72206414 QFPBMXSTUDTZTJ-UHFFFAOYSA-N 202.257 2.524 0 40 BFAB c1cncc(-c2cccc(C3CCNCC3)n2)c1 72386801 YGLJFODBFGYVSF-UHFFFAOYSA-N 239.322 2.611 0 40 BFAB CS[C@@H]1CC[C@@H](Nc2nc(C)ns2)C1 78476833 HZBZAWXVXFZGFG-HTQZYQBOSA-N 229.374 2.543 0 40 BFAB CC(=O)c1ccccc1C(=O)N[C@H]1CCC[C@H]1C 87313300 USVLYGPGZXKQSL-YGRLFVJLSA-N 245.322 2.808 0 40 BFAB CC(=O)c1cccc(COC(=O)c2ccco2)c1 89331308 KQGYAZIOFYUFLS-UHFFFAOYSA-N 244.246 2.839 0 40 BFAB CCc1cccc(-c2nc(C=O)co2)c1 90415640 QASOWOWTRKWYKF-UHFFFAOYSA-N 201.225 2.717 0 40 BFAB COc1cc(NCc2ccc(C)c(F)c2)ncn1 95971339 GASRAFFZFRSDJQ-UHFFFAOYSA-N 247.273 2.545 0 40 BFAB CCOC(=O)c1ccc(C)nc1-c1ccccn1 199567951 NWQRERBKZPQRBG-UHFFFAOYSA-N 242.278 2.629 0 40 BFAB Cc1cccc(N2CCN[C@@H]3CCC[C@H]32)c1C 218846473 PXWYSOUCLNXSRV-UKRRQHHQSA-N 230.355 2.634 0 40 BFAB c1nc(OC2CCC2)c2sccc2n1 585651898 IJAYOTNYAKURNS-UHFFFAOYSA-N 206.270 2.623 0 40 BFAB O=C(O)C[C@@H]1COc2cc(C(F)(F)F)ccc21 585656374 NOZCBIITMRRHCC-ZCFIWIBFSA-N 246.184 2.656 0 40 BFAB Cc1ccc(C(=O)Nc2ccccc2N)cc1 225974 LZURKGIPJGMWCA-UHFFFAOYSA-N 226.279 2.830 0 40 BFAB in-vitro CC(C)C[C@H](C)NC(=O)Cc1ccccc1F 362232 QHXPFVGJPUJAPP-NSHDSACASA-N 237.318 2.919 0 40 BFAB O=C(CCc1ccccc1)c1ccc(O)cc1O 2556362 ZUKLXLKVCGZHAA-UHFFFAOYSA-N 242.274 2.913 0 40 BFAB biogenic,in-vitro COc1cccc(C(=O)c2ccccc2OC)c1 2574592 GCJOBHLDPVQLSI-UHFFFAOYSA-N 242.274 2.935 0 40 BFAB O=C(O)COc1ccc(Nc2ccccc2)cc1 3281006 VBJDXERSMNNCTA-UHFFFAOYSA-N 243.262 2.894 0 40 BFAB CCC(=O)C1CCN(Cc2ccccc2)CC1 4764254 SAXIENHJKRJSLD-UHFFFAOYSA-N 231.339 2.878 0 40 BFAB CCc1n[nH]c(=S)n1NCc1ccc(C)cc1 8339182 FDUZDTGOCLPVBP-UHFFFAOYSA-N 248.355 2.555 0 40 BFAB CCCOCCCOc1ccccc1C(=O)O 8731440 UFMAYAKLQFHNBT-UHFFFAOYSA-N 238.283 2.580 0 40 BFAB COc1cc(C(=O)Nc2cccnc2)ccc1C 12537151 VINADRYFDKLKJK-UHFFFAOYSA-N 242.278 2.651 0 40 BFAB Cc1ccc(F)c(NC(=O)[C@@H]2C[C@@H]2C)c1 13019553 RUOMZFDQAPMCHO-DTWKUNHWSA-N 207.248 2.729 0 40 BFAB CCCNC(=S)Nc1ccc(CC)cc1 13789267 XPAPGDJRLVNTJO-UHFFFAOYSA-N 222.357 2.945 0 40 BFAB Cc1ccc(-c2noc(C3CC3)n2)cc1 13921182 PQEMFVCLWJGZLT-UHFFFAOYSA-N 200.241 2.922 0 40 BFAB O=[S@](c1ccc(Cl)cc1)C(F)(F)F 16159766 PQEHUUVWOJMAGQ-ZDUSSCGKSA-N 228.622 2.967 0 40 BFAB CCC(C)(C)C1CCC(NCCO)CC1 20305882 QCIWZXBFBAKTDF-UHFFFAOYSA-N 213.365 2.563 0 40 BFAB CCCNC(=O)[C@@H](CC)Oc1cccc(C)c1C 20483691 FRDIRECDPCFKRM-CYBMUJFWSA-N 249.354 2.987 0 40 BFAB CC[C@@H](C)NC[C@H](O)c1ccc2c(c1)CCCC2 27637704 GVNYSERWAKVROD-WBMJQRKESA-N 247.382 2.987 0 40 BFAB investigational Cc1cccnc1NC(=O)OCC(F)(F)F 32628764 RJCXRXWZWCLTIB-UHFFFAOYSA-N 234.177 2.501 0 40 BFAB Cc1noc(C)c1Cc1ccc(C(=O)O)cc1 34925318 HUPJFTAYFSKRHZ-UHFFFAOYSA-N 231.251 2.580 0 40 BFAB CC(C)(C)[C@@H](N)c1nc(-c2ccccc2)no1 35411429 ICNUBRSICPXNSU-JTQLQIEISA-N 231.299 2.783 0 40 BFAB c1ccc(OCCNC2CCCCC2)cc1 37854525 LJWODBZLDRMCBM-UHFFFAOYSA-N 219.328 2.988 0 40 BFAB CCC12C[C@@H]3C[C@H](C1)CC(NC(C)=O)(C3)C2 39338663 IIIGNDWJCSSUHP-VTXSZYRJSA-N 221.344 2.872 0 40 BFAB Clc1cncc(N2CCc3ccccc32)n1 42783565 YKPZAKYRTAWOBF-UHFFFAOYSA-N 231.686 2.824 0 40 BFAB in-vitro c1coc(CSCC2CCNCC2)c1 43498176 XBHNQYCUSUSWCO-UHFFFAOYSA-N 211.330 2.512 0 40 BFAB Cc1ccc(C(=O)c2ncccc2C)cc1 45028657 VQEFZZLMYVEVEP-UHFFFAOYSA-N 211.264 2.929 0 40 BFAB O=C(c1cc(Br)ccc1O)C1CC1 52068485 VVHOAXYVXSUMOU-UHFFFAOYSA-N 241.084 2.747 0 40 BFAB C[C@H]1CCCCN1c1ccc(NC(N)=S)cc1 57328117 OKMCRXNOBRMJOC-JTQLQIEISA-N 249.383 2.721 0 40 BFAB CCCCS(=O)(=O)N[C@H]1CCC[C@H](C)[C@@H]1C 57526584 YKMHRJYVUGTDFJ-SRVKXCTJSA-N 247.404 2.531 0 40 BFAB C[C@@H](Cc1ccccc1)n1cccc1C(=O)O 62190617 KKMIUDPARJGYMX-NSHDSACASA-N 229.279 2.990 0 40 BFAB in-vitro CC(/C=C/CO)=C\C=C\C=C(C)\C=C\CO 64633394 VDPMPASLASNGIB-PSAUJTBTSA-N 220.312 2.532 0 40 BFAB in-vitro COc1ccc(C)cc1C(=O)CCSC 69984389 UUKGRVTWJSXSAZ-UHFFFAOYSA-N 224.325 2.939 0 40 BFAB Fc1cc(F)c(F)c([C@@H]2CCCN2)c1 72201790 JPHZSASVRMNOMF-VIFPVBQESA-N 201.191 2.528 0 40 BFAB CC[C@@H](O)[C@H]1CCCCN1C(=O)OC(C)(C)C 72208692 TZLDOZMPGLEGAW-GHMZBOCLSA-N 243.347 2.547 0 40 BFAB Cn1cnc2c(Cl)cc(Cl)cc21 73634224 UFTUBDYSKHGILT-UHFFFAOYSA-N 201.056 2.880 0 40 BFAB CC[C@@H](C(=O)Nc1cnoc1)c1ccccc1 75170829 AJMJTLNRHZLHCZ-GFCCVEGCSA-N 230.267 2.807 0 40 BFAB CN(C)C(=O)c1ccc(-c2ccccc2)o1 82116329 PPPKGXVPIAENJJ-UHFFFAOYSA-N 215.252 2.648 0 40 BFAB O=C(Nc1ccccc1F)[C@@H]1CCCS1 82324140 WIVDTQFQQKNQRT-JTQLQIEISA-N 225.288 2.660 0 40 BFAB Cc1ncc(C(=O)Nc2ccccc2Cl)cn1 82324372 HAUPWOCJMLUILI-UHFFFAOYSA-N 247.685 2.691 0 40 BFAB CC[C@H](C)CNCCc1ccc(NC(C)=O)cc1 89942231 WFJLESSNCRSSIX-LBPRGKRZSA-N 248.370 2.823 0 40 BFAB COc1cc(C2(C(F)(F)F)N=N2)ccc1C=O 90526366 VSSSUXPZDNKHRK-UHFFFAOYSA-N 244.172 2.689 0 40 BFAB c1nc(CN2CCC3(CCCCC3)C2)c[nH]1 93663718 JEQUMQMDRXMNQF-UHFFFAOYSA-N 219.332 2.566 0 40 BFAB CCS(=O)(=O)/C=C/c1cccc(Cl)c1 96510032 FOGDCZUNOHOLAZ-VOTSOKGWSA-N 230.716 2.745 0 40 BFAB O=c1[nH]c(-c2ccccc2)c(O)c2ccccc12 100701552 BDXPHBBJPXHDAF-UHFFFAOYSA-N 237.258 2.901 0 40 BFAB CC1=C[C@@H](C)[C@@]2(CO)CO[C@@H](C(C)C)[C@H]1[C@H]2C 100742722 BNAPJYMSXNSYQF-ARILJUKYSA-N 238.371 2.868 0 40 BFAB biogenic CC1=C[C@@H](c2ccc(C)cc2)n2ncnc2N1 101580392 NWFUTQQIAZYMGH-LBPRGKRZSA-N 226.283 2.505 0 40 BFAB CC(=O)N1N=CC[C@H]1[C@@H]1[C@H](C)C=C(C)C[C@H]1C 102674618 HUMGQYPYCXKRLK-MHDGFBEUSA-N 234.343 2.831 0 40 BFAB Cc1nnc(CN[C@@H]2CCC[C@@H](C)[C@H]2C)s1 108494959 UAYLIGKQKXAAFB-FXPVBKGRSA-N 239.388 2.761 0 40 BFAB N[C@H]1C[C@H]1c1ccc(-c2cccc(O)c2)cc1 114026929 DSOJSZXQRJGBCW-GJZGRUSLSA-N 225.291 2.874 0 40 BFAB Cc1cc(Cc2ccccc2Cl)c(O)nn1 149331091 NKHPTJLHBXGIBN-UHFFFAOYSA-N 234.686 2.735 0 40 BFAB COc1c(Br)ccc(F)c1C 201403718 PQWQXWQCYSGRLK-UHFFFAOYSA-N 219.053 2.905 0 40 BFAB COC(=O)CCC(=O)c1cc(C)c(C)cc1C 234685671 CUTZQOWUTUCBJI-UHFFFAOYSA-N 234.295 2.748 0 40 BFAB CCn1cc(NCc2cnn(C(C)C)c2)c(C)n1 256053988 ULZXNEBBZZHALQ-UHFFFAOYSA-N 247.346 2.601 0 40 BFAB Cc1ccc(C[C@@]2(O)C[C@H](C)N(C)C[C@@H]2C)cc1 51421 PPFGJYUAWQBXHF-DZKIICNBSA-N 247.382 2.629 0 40 BFAB O=C(Nc1cccnc1)NC1CCCCC1 124842 HXUVJFGSTOIWDQ-UHFFFAOYSA-N 219.288 2.536 0 40 BFAB COc1ccc(NCc2ccco2)cc1OC 316924 UZZVBYZSDQDKBX-UHFFFAOYSA-N 233.267 2.909 0 40 BFAB Cn1cccc1C(=O)c1ccc(Cl)cc1 851946 YMRVZQVZCQCKMZ-UHFFFAOYSA-N 219.671 2.910 0 40 BFAB Cc1cc(C)c(C)c(C(=O)CCC(=O)O)c1C 1598542 LEGFCESDAOGJSW-UHFFFAOYSA-N 234.295 2.968 0 40 BFAB CC1(C)C=CN(c2ccccc2)C(=O)O1 1737356 WCLLYHITFJRLJP-UHFFFAOYSA-N 203.241 2.936 0 40 BFAB Cc1ccc(OC(=O)c2ccccc2N)cc1 2505828 FEGACFSRBYNYKS-UHFFFAOYSA-N 227.263 2.796 0 40 BFAB CCCC[C@@H](CC)C(=O)N1C[C@H](C)O[C@H](C)C1 5591036 MVHPIEABOOAVTC-FRRDWIJNSA-N 241.375 2.839 0 40 BFAB COc1ccc(C(=O)OCc2ccco2)cc1 6787022 UPDKVZMALAWNBJ-UHFFFAOYSA-N 232.235 2.645 0 40 BFAB CN[C@@H](C)c1cccc(C(F)(F)F)c1 8698422 JRSKXURJVQNHMS-ZETCQYMHSA-N 203.207 2.986 0 40 BFAB in-vitro CC(C)c1cc(C(=O)O)nn1-c1ccccc1 8700397 GNHJJSFGHMQPEQ-UHFFFAOYSA-N 230.267 2.694 0 40 BFAB in-vitro COc1ccc(CNC(=O)c2occc2C)cc1 8718806 WJHYPNIPXOMXKA-UHFFFAOYSA-N 245.278 2.527 0 40 BFAB COC(=O)c1sc(C(F)(F)F)cc1OC 12396830 BUFKPALRMRXESZ-UHFFFAOYSA-N 240.202 2.562 0 40 BFAB COc1ccc(NC(=O)CCc2ccco2)cc1 12598981 VGXBQMJPLVPHHR-UHFFFAOYSA-N 245.278 2.860 0 40 BFAB CCNc1nnc(-c2cccc(C)c2)s1 13535407 LCSDUWAXEFEELN-UHFFFAOYSA-N 219.313 2.945 0 40 BFAB Cc1cc(C)n(C(=O)c2ccc(C)s2)n1 16970410 ABNGRYCVYCPXNA-UHFFFAOYSA-N 220.297 2.558 0 40 BFAB CC(C)CC[C@H](C)NC1CCC(O)CC1 19919031 NYMAAGQOEOAUQJ-HIFPTAJRSA-N 213.365 2.704 0 40 BFAB CCN(CC)CCNCc1cccc(Cl)c1 19919610 YLQTXZJFTVPZOB-UHFFFAOYSA-N 240.778 2.771 0 40 BFAB C[C@H](NC(=O)[C@@H]1CC=CCC1)c1ccco1 25260718 CJUPUXDQSVWOJO-WDEREUQCSA-N 219.284 2.813 0 40 BFAB CC(C)COc1ccc(Cl)cc1CO 36895031 YAHKROMNCCIBOA-UHFFFAOYSA-N 214.692 2.867 0 40 BFAB CC[C@@H](O)Cc1cccc(Br)c1 37465453 ICJABOJSUKIZED-SNVBAGLBSA-N 229.117 2.763 0 40 BFAB Cc1n[nH]c(C)c1NC(=O)Nc1cccc(F)c1 38076564 NLQWQOFZQNSEPD-UHFFFAOYSA-N 248.261 2.810 0 40 BFAB CC(=O)c1ccccc1OCC[C@@H]1CCCCN1 42771436 NRUMODQYKCOSFV-ZDUSSCGKSA-N 247.338 2.800 0 40 BFAB Clc1ccccc1COC[C@H]1CCCN1 43496906 DQFGQHFLQPMPSU-LLVKDONJSA-N 225.719 2.609 0 40 BFAB COc1ccc(Cl)cc1[C@](C)(O)C1CC1 55192061 TZCVUTPGNRTVGD-GFCCVEGCSA-N 226.703 2.966 0 40 BFAB C[C@@](CO)(c1ccccc1Cl)N1CCCC1 70453426 FZMPXHCQEZFDDB-CYBMUJFWSA-N 239.746 2.643 0 40 BFAB Oc1ccccc1-n1cc(C(F)(F)F)cn1 70675423 USALPUWZEKCNNW-UHFFFAOYSA-N 228.173 2.597 0 40 BFAB CCS[C@H]1CCCC[C@H]1NCc1cc[nH]n1 96455608 RHNKSHAOZFVJKU-NEPJUHHUSA-N 239.388 2.564 0 40 BFAB Cn1cc(CSc2cccc(F)c2)cn1 97013541 OXDZOBAEFFKYMD-UHFFFAOYSA-N 222.288 2.852 0 40 BFAB CCOCC(=O)Nc1ccccc1CSC 97115878 FNJHFYBWSPIHFN-UHFFFAOYSA-N 239.340 2.525 0 40 BFAB COc1ccc2c(c1)[C@@H]1[C@H]3[C@H]4C=C[C@@H]4[C@H]2[C@@H]31 101003222 MSMIFVCPETXJCQ-BECKRBFASA-N 210.276 2.938 0 40 BFAB CC(=O)OC[Si](C)(C)Cc1ccccc1 195761004 UJLIENXJYCWQHR-UHFFFAOYSA-N 222.360 2.579 0 40 BFAB N=C(N)c1ccc(Cl)cc1C(F)(F)F 199561964 IPTXPGZGLRERDL-UHFFFAOYSA-N 222.597 2.643 0 40 BFAB CCc1ccccc1C[C@@H](OC(C)C)C(=O)O 225041708 PLNNRDKQEGDKRB-CYBMUJFWSA-N 236.311 2.670 0 40 BFAB CCOc1ccccc1CCCNC(=O)C(C)C 225189827 FQMREKFYRJKCIP-UHFFFAOYSA-N 249.354 2.790 0 40 BFAB Cc1csc(CN(C)CCOCC(C)C)n1 252490184 KLHFPJPXVRBBQF-UHFFFAOYSA-N 242.388 2.556 0 40 BFAB O=Cc1c(Cl)ccn(CC2CCCC2)c1=O 575421724 ADOATAWXDHNOFY-UHFFFAOYSA-N 239.702 2.504 0 40 BFAB O=C(O)c1cc(CC2CCCCC2)ccn1 1775970599 HSVJYRIAXXUGKP-UHFFFAOYSA-N 219.284 2.903 0 40 BFAB O=C(NC1CCCCC1)c1ccccc1F 347244 DSKBXNLFMNQDFV-UHFFFAOYSA-N 221.275 2.888 0 40 BFAB O=C(CCc1ccccc1)Nc1ccccc1O 362826 QQGJTQIOLXPXMV-UHFFFAOYSA-N 241.290 2.964 0 40 BFAB C[C@@H](N)Cc1c(Cl)cc(N(C)C)cc1Cl 1567696 DWBMENXBKOCHLV-SSDOTTSWSA-N 247.169 2.949 0 40 BFAB C[C@@H](N[C@@H]1CCCC[C@H]1O)c1ccccc1 1613132 NYCFBNYPXMBDES-MRVWCRGKSA-N 219.328 2.641 0 40 BFAB in-vitro CNC(=O)SCc1ccc(Cl)cc1 1668522 NSXPNSVDRFWJPQ-UHFFFAOYSA-N 215.705 2.913 0 40 BFAB COc1ccc(/C=C/[C@]2(C)OC[C@H](C)O2)cc1 1672112 KMRIAENCHGJSFE-MXPGDACESA-N 234.295 2.860 0 40 BFAB NC[C@H](Cc1ccccc1)c1ccccc1 2007000 RHRYWWVGUVEZRJ-HNNXBMFYSA-N 211.308 2.972 0 40 BFAB COc1ccc(Cl)cc1-c1cc(N)on1 3704533 XSDMZCDURCSVFW-UHFFFAOYSA-N 224.647 2.586 0 40 BFAB CCCCC[C@H]1[C@@H](O)CC[C@@H]1CC(=O)OC 4025424 DZWZEZICFCEJOT-UTUOFQBUSA-N 228.332 2.517 0 40 BFAB CC(=O)O[C@H]1C[C@@H]2CC[C@]13CC=CC[C@H]23 4538242 LOXGHFUDKKRKPV-RNJOBUHISA-N 206.285 2.684 0 40 BFAB CCCCNC(=O)Cn1ccc2ccccc21 4676565 WQNMELAMTSFQPT-UHFFFAOYSA-N 230.311 2.558 0 40 BFAB C[C@H]1C/C=C\COC(=O)CC(C)(C)CC1=O 5373866 JOOZKGKZZBYYOP-LWTINBJPSA-N 224.300 2.501 0 40 BFAB Cc1nnc(S)n1-c1cccc(Cl)c1 6534004 UBQLDJNFYUHKTK-UHFFFAOYSA-N 225.704 2.518 0 40 BFAB Clc1cc(Cl)cc(Nc2ncn[nH]2)c1 8656614 RQLPFLQMVKGPGU-UHFFFAOYSA-N 229.070 2.855 0 40 BFAB C[C@H](NC(=O)NCc1ccccc1)c1ccco1 9218334 ZWPZUFCAHLSMCI-NSHDSACASA-N 244.294 2.840 0 40 BFAB Cc1ccc2c(c1)CCN[C@@H]2c1cccnc1 11570855 HVBZJBXAUXQXLL-OAHLLOKOSA-N 224.307 2.625 0 40 BFAB Cc1ccccc1COCC1CCNCC1 14631391 FYPONOOWSFBBGK-UHFFFAOYSA-N 219.328 2.511 0 40 BFAB in-vitro CC(C)c1ccc(O[C@H]2CCCNC2)cc1 14631757 DYLBQZLBKYGVOJ-AWEZNQCLSA-N 219.328 2.941 0 40 BFAB Nc1nc(=S)[nH]c2sc3c(c12)CCCC3 17837262 BVCFRCXNYKHHCX-UHFFFAOYSA-N 237.353 2.815 0 40 BFAB CC(C)(C)c1ccc(CN2CCCNCC2)cc1 19269516 OIKRWUPLUXKWFP-UHFFFAOYSA-N 246.398 2.779 0 40 BFAB CCCN1CCN(CCC)[C@H]2CCCC[C@@H]21 19365565 QLWLQPCFOSNUKV-KBPBESRZSA-N 224.392 2.735 0 40 BFAB Brc1ccc2c(c1)[C@@H]1O[C@@H]1CC2 19796263 SYSQBWSXGVPPCP-ZJUUUORDSA-N 225.085 2.835 0 40 BFAB CCOC(=O)c1cc(F)c(Cl)nc1Cl 26896753 FPPLCOWQBGOFDU-UHFFFAOYSA-N 238.045 2.704 0 40 BFAB in-vitro c1ccc2c(c1)ccc1nnc(-c3ccncc3)n12 32587394 LRHHQSWNXZVTCS-UHFFFAOYSA-N 246.273 2.945 0 40 BFAB Cc1c(Br)cnc2c1CCCN2 32915112 LOZNNBXDTGTNJW-UHFFFAOYSA-N 227.105 2.511 0 40 BFAB CCOC(=O)c1cc2cc(Cl)cc(N)c2[nH]1 39642495 PIHIUNXBMGLYRF-UHFFFAOYSA-N 238.674 2.580 0 40 BFAB Cc1cc(CSc2ccccn2)on1 40024275 DRONLYVJUFMOLQ-UHFFFAOYSA-N 206.270 2.670 0 40 BFAB CSc1nncn1-c1cccc(Cl)c1 40159031 LDNCZWRHHHYPCR-UHFFFAOYSA-N 225.704 2.643 0 40 BFAB CC(C)(C)c1cccc(O[C@H]2CCNC2)c1 42776307 IDZDJZBAARTWKQ-ZDUSSCGKSA-N 219.328 2.725 0 40 BFAB Clc1nccnc1N1CCCCCC1 43537514 PHKHAKPOHYQFJX-UHFFFAOYSA-N 211.696 2.510 0 40 BFAB COc1ccc(-c2ccccc2)cc1CC(=O)O 44374504 HGJCVDKSPRASKL-UHFFFAOYSA-N 242.274 2.989 0 40 BFAB Cc1ccc(OCC(=O)N[C@H](C)C(C)C)cc1 49535264 BZRVLGHFLWLPNZ-GFCCVEGCSA-N 235.327 2.535 0 40 BFAB CC(C)OC(=O)/C=C/c1ccccc1F 62715037 HQYWCELZYCVIOJ-BQYQJAHWSA-N 208.232 2.791 0 40 BFAB CC(=O)c1cc(Br)cc(C)c1O 63061829 FYCJGBWDWQDUPT-UHFFFAOYSA-N 229.073 2.666 0 40 BFAB in-vitro CCN(C)[C@H](C)C(=O)c1c[nH]c2ccccc12 69418980 YSRZAVPXKGZJCN-SNVBAGLBSA-N 230.311 2.691 0 40 BFAB Cc1cc(C)nc(CNC(=O)OC(C)(C)C)c1 72206901 CICUXHXMSWEVMQ-UHFFFAOYSA-N 236.315 2.723 0 40 BFAB Cn1nc(C(F)(F)F)cc1-c1ccc(N)cc1 75877931 KVQWWXILSTUFDE-UHFFFAOYSA-N 241.216 2.688 0 40 BFAB CSCc1nc2ccc(C(C)C)cc2c(=O)[nH]1 84625233 XQKTWBTVZFTLEB-UHFFFAOYSA-N 248.351 2.910 0 40 BFAB Nc1ccccc1-c1nnc(-c2ccco2)o1 85386141 QBSJPFUQIZCMMB-UHFFFAOYSA-N 227.223 2.579 0 40 BFAB Fc1cccc(CCNCc2cc[nH]c2)c1F 86253744 GHCGPHRQMNBQPV-UHFFFAOYSA-N 236.265 2.625 0 40 BFAB CC1(C)CCC[C@@H]1N[C@H]1CCN2CCC[C@@H]2C1 89919262 QTMLNUMBLBWNSJ-MJBXVCDLSA-N 236.403 2.782 0 40 BFAB CCc1noc(CC)c1CN[C@@H](C)C1CC1 95969163 KAHKRTBVPPBJSF-VIFPVBQESA-N 222.332 2.688 0 40 BFAB CC(=O)N1CCCC[C@H](c2ccc(F)cc2)C1 96119774 AGMNVCCGIPLFJH-ZDUSSCGKSA-N 235.302 2.942 0 40 BFAB Fc1ccccc1-c1nnc([C@@H]2CCCCN2)o1 96896004 LWKLAFNGPJWONH-NSHDSACASA-N 247.273 2.690 0 40 BFAB Cc1nnc(CN[C@@H](c2ccccc2)C(C)C)o1 96982331 CINWEJKOQXNDNP-CQSZACIVSA-N 245.326 2.865 0 40 BFAB CC1(C)[C@H]2CC[C@@]1(C)c1nc(N)sc12 100006526 CEOWRADDCLFLQS-KGFZYKRKSA-N 208.330 2.900 0 40 BFAB Cc1ccc(C)c(CN2[C@H]3CC[C@H]2CC(O)C3)c1 107923399 BASTWMZHUAMPNA-GJZGRUSLSA-N 245.366 2.791 0 40 BFAB Cc1csc(C(=O)N[C@@H]2CCCC2(F)F)c1 398024238 JIXZMLAEFZIMIW-SECBINFHSA-N 245.294 2.974 0 40 BFAB c1cnc2oc(CN3C[C@@H]4C[C@H]3CS4)cc2c1 459754400 DEZJVXJBOHITEU-JQWIXIFHSA-N 246.335 2.518 0 40 BFAB CC1(C)C[C@@H](NCc2cc[nH]c2)CCS1 897797516 HWNLNMYLFYCXQP-NSHDSACASA-N 224.373 2.779 0 40 BFAB COc1ccc2sc(C)nc2c1NC(C)=O 236088 ZOUMIJOGMCQKRP-UHFFFAOYSA-N 236.296 2.572 0 40 BFAB O=C1CC(c2ccncc2)=Nc2ccccc2N1 971925 GZAXJTRTJGMZJE-UHFFFAOYSA-N 237.262 2.545 0 40 BFAB Cc1cc(=O)n(C(C)C)c2ccccc12 1394026 XRJJZRPSPDYAAR-UHFFFAOYSA-N 201.269 2.891 0 40 BFAB Cc1ccc(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)nc1 4830536 JGSZGGGVLKPPLS-GRYCIOLGSA-N 228.295 2.541 0 40 BFAB O=c1c(-c2cscn2)coc2cc(O)ccc12 5731225 UVFYMKZYQKMXAI-UHFFFAOYSA-N 245.259 2.622 0 40 BFAB biogenic Cc1cccc(-c2noc(-c3cc(C)n[nH]3)n2)c1 8793592 RHJUJMPTXGAZPU-UHFFFAOYSA-N 240.266 2.744 0 40 BFAB C[C@H](NC(=O)NC1CC1)c1cc2ccccc2o1 10036054 RLJOQOJOSWBRKR-VIFPVBQESA-N 244.294 2.955 0 40 BFAB C[C@@H]1CN(C)C(C)(C)C[C@@]1(O)c1ccccc1 13111058 SSRPOTWODWIGHO-DOMZBBRYSA-N 233.355 2.624 0 40 BFAB C[C@@H]1CC=C(c2ccccc2)C(=S)N1 13686471 UJEYHIWKFIXAEE-SECBINFHSA-N 203.310 2.779 0 40 BFAB CCCC[C@H]1CC(=O)CN1C(=O)OC(C)(C)C 16125349 RZUVQBCRNRHRSJ-JTQLQIEISA-N 241.331 2.755 0 40 BFAB COc1ccccc1CN[C@H](C)C(C)C 19903215 ICRRRUGLVMHYCG-LLVKDONJSA-N 207.317 2.829 0 40 BFAB N[C@@H](C(=O)c1ccccc1)c1ccccc1 26506405 LKPGGRAYFGWREN-CYBMUJFWSA-N 211.264 2.569 0 40 BFAB CCCc1nn(C)c(N)c1Cc1ccccc1 26511803 YNVINXFXNTVWCQ-UHFFFAOYSA-N 229.327 2.546 0 40 BFAB S=c1[nH]c2cc3[nH]c(=S)[nH]c3cc2[nH]1 33373875 RHDFBBNHXORGGJ-UHFFFAOYSA-N 222.298 2.764 0 40 BFAB CC(C)(C)OC(=O)NCc1ccc(F)cc1 34597797 WVVOFXZIUIAPGV-UHFFFAOYSA-N 225.263 2.850 0 40 BFAB CCCc1c(OC)cc(OC)cc1OC 35075323 TXNCNQDEXNPPPB-UHFFFAOYSA-N 210.273 2.665 0 40 BFAB C[C@@H](Cc1ccco1)NC(=O)C1CCCCC1 36395887 UBQYJURAICHVPI-NSHDSACASA-N 235.327 2.907 0 40 BFAB CS[C@@H](C)C(=O)NCc1ccc(Cl)s1 36398260 WFEZTLLOSSBGSW-LURJTMIESA-N 249.788 2.769 0 40 BFAB CCOc1cc(Cl)c(C(=O)O)cc1OCC 36926288 IONKYHTUULYWEH-UHFFFAOYSA-N 244.674 2.836 0 40 BFAB CCOC(=O)[C@@H]1CCC[C@H]1NCc1ccccc1 38418516 MQQOIBAPZYNAPG-ZIAGYGMSSA-N 247.338 2.508 0 40 BFAB O=C1CCCc2nc(-c3ccccc3)ncc21 39408230 ICMXAAQFHQMZTO-UHFFFAOYSA-N 224.263 2.663 0 40 BFAB O=C(O)/C=C\c1c(F)ccc(Cl)c1F 39566055 ZNEJUDVVYPYXMB-RJRFIUFISA-N 218.586 2.716 0 40 BFAB Cc1sc(N)nc1-c1cccc(F)c1 41656350 NNETUDSNEWJTIT-UHFFFAOYSA-N 208.261 2.840 0 40 BFAB CCCc1ccc(OC2CCNCC2)cc1 42782879 SDSDRQMQTUJWHQ-UHFFFAOYSA-N 219.328 2.770 0 40 BFAB O=C(CC(F)(F)F)Nc1ccccc1 43068884 JLGKTPZGUFZZLO-UHFFFAOYSA-N 203.163 2.578 0 40 BFAB Cn1cccc1CN[C@H]1CCOc2ccccc21 49537343 KCCWFUKHLNLXAM-AWEZNQCLSA-N 242.322 2.639 0 40 BFAB CCNC[C@H]1CCCN(Cc2ccccc2)C1 53654031 SXJSLWBWMPKLCP-OAHLLOKOSA-N 232.371 2.508 0 40 BFAB Cc1ccc(F)cc1[C@H](O)c1ccccn1 55201233 UTUVNAAXYMUFTG-ZDUSSCGKSA-N 217.243 2.611 0 40 BFAB Cc1cccn(C/C=C/c2ccccc2)c1=O 69811165 PUHVRNWPBKPUDZ-UXBLZVDNSA-N 225.291 2.870 0 40 BFAB CCCC(=O)N1CCC(Cc2cccnc2)CC1 72350758 MUPZEIZGSQNLAT-UHFFFAOYSA-N 246.354 2.663 0 40 BFAB CCN1CCc2ccc(Br)cc2C1 74449397 NCOSMKSZJWWNEB-UHFFFAOYSA-N 240.144 2.827 0 40 BFAB Cc1ccc(C(=O)N2CCC[C@H]3CCC[C@@H]32)cn1 89652184 ACQBUCQOLVGCQZ-OCCSQVGLSA-N 244.338 2.795 0 40 BFAB O=C(C1CCCCC1)N1C[C@@H]2CC=CC[C@H]2C1 89818212 IZTVYDGUJWZZON-KBPBESRZSA-N 233.355 2.991 0 40 BFAB C[C@H](NC(=O)N(C)C)c1ccc(Cl)cc1 95469918 AJNIJKSTNIFMFN-QMMMGPOBSA-N 226.707 2.672 0 40 BFAB Cc1ccc([C@H](O)c2cccn2C)c(C)c1 95727752 HDNBLWYNRUWSFS-AWEZNQCLSA-N 215.296 2.724 0 40 BFAB C[C@H]1CC[C@@H]1COc1cccc(C=O)c1 96526400 IKELRPQMBWGXQG-CMPLNLGQSA-N 204.269 2.924 0 40 BFAB CC(=O)NC12CC3C[C@](C)(C1)C[C@](C)(C3)C2 100058392 WVIRSYCDAYUOMJ-QPPOZKHWSA-N 221.344 2.872 0 40 BFAB Cc1ccc(C(=O)[C@H]2C(=O)[C@H]3CC[C@H]2C3)cc1 104116964 WBQVVYIWQLXMTJ-AVGNSLFASA-N 228.291 2.793 0 40 BFAB C/C=C/[C@@H]1OC[C@@]2(CO)[C@@H](C)C=C(C)[C@H]1[C@H]2C 107484596 RQCLRCULEFIVSO-VVKGFQMKSA-N 236.355 2.788 0 40 BFAB O=C1CCNc2c1ccc(Br)c2F 169805251 MIEBUHKCMFUENB-UHFFFAOYSA-N 244.063 2.587 0 40 BFAB COC(=O)c1cc(C)n(-c2ccccc2)c1 196362691 AFVDBZZZQCJBLT-UHFFFAOYSA-N 215.252 2.572 0 40 BFAB Cc1ncc(C(=O)Nc2cccc(C)c2C)cn1 222587391 LQPOLXIDMJXWGF-UHFFFAOYSA-N 241.294 2.654 0 40 BFAB COc1cccc(-c2nc3cnccc3o2)c1 226281597 BQDVXRFOEUJZKQ-UHFFFAOYSA-N 226.235 2.898 0 40 BFAB C[C@@H](c1ccccc1)c1nc([C@@H]2CCOC2)no1 252492331 MJDFWWJHCZLUGT-CMPLNLGQSA-N 244.294 2.725 0 40 BFAB C[C@H](O)c1ccc(C2(CN)CCCC2)s1 409421883 GMLMRNKCDUSLDN-VIFPVBQESA-N 225.357 2.572 0 40 BFAB Cc1nc(C2CC2)nc(N2CCCC2)c1C 1888844571 IWLPABSAXVOHCH-UHFFFAOYSA-N 217.316 2.571 0 40 BFAB Oc1cccc2c1CC[C@H](C(F)(F)F)O2 1903362744 BEUOEFPJVSPNQG-SECBINFHSA-N 218.174 2.648 0 40 BFAB CCOC(=O)CNc1ccc(C(F)(F)F)cc1 103753 MNUDPPZEGATPIA-UHFFFAOYSA-N 247.216 2.680 0 40 BFAB CC(=O)Nc1cc(C(=O)O)c(Cl)cc1Cl 1723256 UJJWZLONCUSGTC-UHFFFAOYSA-N 248.065 2.650 0 40 BFAB O=C(O)C[C@@]1(O)CCCC[C@@H]1c1ccccc1 4974384 IYUDSTOJSKIUKS-OCCSQVGLSA-N 234.295 2.550 0 40 BFAB CCOc1cc2c(cc1CCC(=O)O)CCC2 4985974 YFOJVRAQJIZTOK-UHFFFAOYSA-N 234.295 2.591 0 40 BFAB CN[C@H](Cc1ccccc1)c1cccc(O)c1 6481901 WICXFAOFBHLWJV-OAHLLOKOSA-N 227.307 2.895 0 40 BFAB CC(C)(C)c1ccc(O[C@H]2CCNC2)cc1 14632240 QPBPBBLEQWUGSS-ZDUSSCGKSA-N 219.328 2.725 0 40 BFAB Fc1cccc(OCCC2CCNCC2)c1 14632389 UKFPJBYUNYBLJE-UHFFFAOYSA-N 223.291 2.594 0 40 BFAB C[C@H](CCCC(C)(C)O)C[C@@H]1OC[C@@H](C)O1 16511188 AKZXNDJMPSPJQM-IJLUTSLNSA-N 230.348 2.715 0 40 BFAB CN(C)c1cccc(C(=O)NC2CCCCC2)c1 17357180 AMZFTTJJLRHJIW-UHFFFAOYSA-N 246.354 2.815 0 40 BFAB CCc1ccc(C(=O)N[C@@H](C)CC)cc1 19897683 MDCLUNPPPFCRFX-JTQLQIEISA-N 205.301 2.777 0 40 BFAB Cc1onc(-c2ccc(F)cc2F)c1C(=O)O 20444581 LHXLDOWHTKNCDL-UHFFFAOYSA-N 239.177 2.626 0 40 BFAB CC(C)NCc1cnc(-c2cccnc2)s1 40996707 JUMDNXCMMACPEJ-UHFFFAOYSA-N 233.340 2.703 0 40 BFAB CC(C)CCn1ncc(C(=O)O)c1C(C)C 42439549 IDTHVNQVYDPZCC-UHFFFAOYSA-N 224.304 2.751 0 40 BFAB in-vitro CC(C)[C@H](C)NC[C@H](C)C(=O)OC(C)(C)C 47219071 ZBHRSFGZNLNGSP-QWRGUYRKSA-N 229.364 2.598 0 40 BFAB CCc1ccc(C(=O)CCCC(=O)OC)cc1 49826517 MSSWUZKYJKIDPB-UHFFFAOYSA-N 234.295 2.775 0 40 BFAB O=C(NCC1CC1)c1c[nH]nc1C1CCCCC1 57827249 YEPOLSWJHQJPPW-UHFFFAOYSA-N 247.342 2.597 0 40 BFAB Cc1ccc(/C=C/c2cc(C(=O)O)no2)cc1 64875982 HSMOASROUCWKLX-VOTSOKGWSA-N 229.235 2.852 0 40 BFAB Cc1ccc(-c2nn3cc[nH]c4nncc2c43)cc1 71289301 IHJFOCVFWDYWPE-UHFFFAOYSA-N 249.277 2.581 0 40 BFAB Cc1ncc(Cc2cccc(C(=O)O)c2)s1 71478091 FFBKSFDJJHZWFP-UHFFFAOYSA-N 233.292 2.741 0 40 BFAB in-vitro Cc1cc(N(C)c2ccccc2)ncc1C(=O)O 72223336 AYUSSRISLCENHA-UHFFFAOYSA-N 242.278 2.856 0 40 BFAB COc1ccccc1Nc1ncnc2[nH]ccc12 82359183 JNHHDXFDBBXDJR-UHFFFAOYSA-N 240.266 2.710 0 40 BFAB CC(C)(CNc1ccc(Cl)cc1)C(=O)O 82551798 AEFOXBGXLHVGIE-UHFFFAOYSA-N 227.691 2.863 0 40 BFAB COc1c(Cl)cncc1Br 85224812 VMEHRFMNTODKGK-UHFFFAOYSA-N 222.469 2.506 0 40 BFAB CC(C)COc1ccc(F)cc1[C@H](C)O 87111739 JZEBNQPZZRYBIG-VIFPVBQESA-N 212.264 2.914 0 40 BFAB Clc1cc(OCc2ccccc2)cnn1 91366276 YMNJCWLKSHDYSE-UHFFFAOYSA-N 220.659 2.709 0 40 BFAB in-vitro Cc1cccc(C(=O)N[C@@H](CCO)C(C)(C)C)c1 97046215 GFRWBWNPVYDIKP-ZDUSSCGKSA-N 249.354 2.522 0 40 BFAB Cc1c(N[C@@H]2CCSC2)cccc1N(C)C 97108502 DCJOHJBKCXYXNY-LLVKDONJSA-N 236.384 2.978 0 40 BFAB O=C(O)C1C2CC3(Cl)CC1CC(Cl)(C2)C3 113686553 PTTDSXKEQKLWTH-UHFFFAOYSA-N 249.137 2.866 0 40 BFAB CCc1ccc(C[C@@H]2C[C@H]2C(=O)O)cc1 217822357 PTDUREYVXGVFIL-VXGBXAGGSA-N 204.269 2.512 0 40 BFAB CCCCCNC(=S)Nc1cccnc1 225379453 LVIPHLIMSSPFDU-UHFFFAOYSA-N 223.345 2.558 0 40 BFAB Cc1cc(Br)ncc1OCCF 575442769 YMIOZRLWFMVDPJ-UHFFFAOYSA-N 234.068 2.501 0 40 BFAB FC1(F)CC[C@H](Nc2nccc3nc[nH]c23)C1 714218453 PVDVJMQFUILIMS-ZETCQYMHSA-N 238.241 2.558 0 40 BFAB C[C@@H]1CCCCN1C(=O)c1ccccc1F 304533 IIWANWHRNWXCRK-SNVBAGLBSA-N 221.275 2.840 0 40 BFAB O=C(CNc1ccccc1)c1ccccc1 873440 BBFMQHFJAVOYJI-UHFFFAOYSA-N 211.264 2.981 0 40 BFAB C[C@H](O)c1ncc(C(F)(F)F)cc1Cl 1390371 IOSFJFKGYDWBRF-BYPYZUCNSA-N 225.597 2.807 0 40 BFAB CC(=O)Oc1cccc2c1C(=O)c1ccccc1-2 1673263 XPUQALWMMSRERA-UHFFFAOYSA-N 238.242 2.823 0 40 BFAB CCc1nc(Cl)nc(Cl)c1Cl 1689139 PAMHFOVFWWAYCK-UHFFFAOYSA-N 211.479 2.999 0 40 BFAB in-vitro Cc1ccc(C(=O)CCCCC(=O)O)cc1 2378647 YCOBHSWQEIQSDB-UHFFFAOYSA-N 220.268 2.823 0 40 BFAB in-vitro O=[N+]1C=C(c2ccccc2)N(O)[C@@H]2CCCC[C@@H]21 6229177 BXRVULKUDXECHN-QWHCGFSZSA-N 245.302 2.780 0 40 BFAB CCCNCc1cc(Cl)ccc1OC 7262337 RMGFICSOIHZEEH-UHFFFAOYSA-N 213.708 2.848 0 40 BFAB C[C@@H]1CCCCN1Cc1ccc(C(=O)O)cc1 8730781 CRQNAJHQJCQBRW-LLVKDONJSA-N 233.311 2.759 0 40 BFAB C[C@H](NC(=O)NCc1ccco1)c1ccccc1 12917150 OWDCBLIQFLAPIL-NSHDSACASA-N 244.294 2.840 0 40 BFAB Cc1ccccc1[C@H](C)Nc1ncccn1 12973161 FNEDIZFUAULTCJ-NSHDSACASA-N 213.284 2.958 0 40 BFAB Oc1ccc(-c2nc3ccccc3[nH]2)c(O)c1 13234013 MTDSHRDWHUXPQH-UHFFFAOYSA-N 226.235 2.641 0 40 BFAB Cc1c(C(=O)N2CCC2)oc2ccc(F)cc12 14128627 OGOBULBYDNBICF-UHFFFAOYSA-N 233.242 2.726 0 40 BFAB CCCOC(=O)/C=C\c1ccc(OC)cc1 17162267 WZXKPNYMUZGZIA-TWGQIWQCSA-N 220.268 2.662 0 40 BFAB S=c1[nH]cnc2c1ncn2[C@H]1CCCS1 17315063 SFLMKCKRZJIAPC-ZCFIWIBFSA-N 238.341 2.514 0 40 BFAB Cc1ccc2cc3c(nc2c1C)O[C@@H](C)CNC3 19234318 IBWVASWEVRMRRD-JTQLQIEISA-N 242.322 2.722 0 40 BFAB C[C@H]1CCC[C@H](C)N1C(=O)Cc1cccc(N)c1 20155043 YNPJUXFEXLHREX-RYUDHWBXSA-N 246.354 2.601 0 40 BFAB O=C(OCC(F)(F)F)N1CCc2ccccc21 32628773 CJGSHZBUKLAXDO-UHFFFAOYSA-N 245.200 2.748 0 40 BFAB CCCCC(=O)N1CCO[C@H](c2ccccc2)C1 36076016 JHLCESZOWJGWSH-AWEZNQCLSA-N 247.338 2.777 0 40 BFAB C[C@@H](N)c1sccc1Br 37184034 ZWKSAVZOEYLRAF-SCSAIBSYSA-N 206.108 2.530 0 40 BFAB CNC1CCN(Cc2ccc(Cl)cc2)CC1 37395210 JIADFQQKSWOJAO-UHFFFAOYSA-N 238.762 2.524 0 40 BFAB CCC(=O)Cc1ccccc1Br 37464214 GZFBBTAOKUFHLW-UHFFFAOYSA-N 227.101 2.971 0 40 BFAB in-vitro Fc1ccc(Cl)c(C2CCNCC2)c1 38539384 QNZWQDIQXQFGSD-UHFFFAOYSA-N 213.683 2.946 0 40 BFAB Cc1ccc(NC(=O)N2CCCC2)c(F)c1 40526219 SSGRVUUDFMKOLO-UHFFFAOYSA-N 222.263 2.762 0 40 BFAB CC(C)Nc1ncnc2ccc(F)cc12 41470854 YUKLFGAFBAAIHF-UHFFFAOYSA-N 205.236 2.589 0 40 BFAB Cc1c(F)cccc1C(=O)CC(C)(C)C(=O)O 43214315 IYODIKTVBCVHOF-UHFFFAOYSA-N 238.258 2.818 0 40 BFAB Cc1cc([C@H](O)c2ccoc2)ccc1F 68890735 IUKZZDVGQRAGRK-LBPRGKRZSA-N 206.216 2.809 0 40 BFAB Cc1cc(NC2CCCCC2)nc2[nH]nc(N)c12 71283294 HWKWRZJGNWOXGT-UHFFFAOYSA-N 245.330 2.593 0 40 BFAB Fc1cccc2c([C@@H]3CCCNC3)c[nH]c12 82982440 UJJINLAYROBRPX-SECBINFHSA-N 218.275 2.774 0 40 BFAB Fc1cc(S)ccc1CN1CCCC1 95738961 CZRMNANRNFELNP-UHFFFAOYSA-N 211.305 2.710 0 40 BFAB CCOCc1nnc(NCc2cccc(C)c2)o1 96494356 WMSCMFOYJMFFQY-UHFFFAOYSA-N 247.298 2.527 0 40 BFAB Nc1cccc(-n2ccc3cccnc32)c1 96526575 HLWSMDHKEPCOQH-UHFFFAOYSA-N 209.252 2.608 0 40 BFAB CN(Cc1ccncc1)C[C@@H]1C[C@H]2C=C[C@H]1C2 230307182 LXCWWATXIHYESU-KKUMJFAQSA-N 228.339 2.726 0 40 BFAB CCCOCc1cccc(N)c1Br 233232083 AZJPMDVSABUPIM-UHFFFAOYSA-N 244.132 2.958 0 40 BFAB CC[C@H](Cl)C(=O)c1cccc(OC(C)=O)c1 390532351 MVWONWPZJUUEGK-NSHDSACASA-N 240.686 2.812 0 40 BFAB Cc1ncn(-c2ccc(F)cc2C(F)(F)F)n1 2362803624 RACFGFGUMCEQSI-UHFFFAOYSA-N 245.179 2.734 0 40 BFAB CCC(=O)N[C@H](C)Cc1c[nH]c2ccccc12 192497 MHMOEPVGEPQEEV-SNVBAGLBSA-N 230.311 2.625 0 40 BFAB biogenic C[C@H](O)CCCCCCCCC(=O)O 2043221 UHZWUNLTEZCDMA-JTQLQIEISA-N 202.294 2.573 0 40 BFAB in-vitro Cc1ccc(C2=CN3CCN=C3S2)cc1 3256227 JRDCXCFSEBWAIW-UHFFFAOYSA-N 216.309 2.712 0 40 BFAB CCOC(=O)CSCc1ccc(C)cc1 6758175 PBSSYSNVKZYEAB-UHFFFAOYSA-N 224.325 2.791 0 40 BFAB CC[C@H](C)C(=O)Nc1ccc2c(c1)OCCCO2 12935414 QOLBXVOSHWEJAO-JTQLQIEISA-N 249.310 2.833 0 40 BFAB CCOC(=O)[C@@H](C)Oc1cccc(Cl)c1 22637760 QBTRZKMVDQAIKG-MRVPVSSYSA-N 228.675 2.670 0 40 BFAB Cc1cc(C)c2cccc(C(=O)O)c2n1 26441203 LPFHSFQYEOWNJJ-UHFFFAOYSA-N 201.225 2.550 0 40 BFAB CC[C@@H]1CCCCN1C(=O)c1ccc(C)nc1 32903790 IWCBSZOXPHLZBX-CYBMUJFWSA-N 232.327 2.795 0 40 BFAB c1ccc2oc(NC[C@@H]3CCCOC3)nc2c1 38046228 OJEJRYUCEFSALZ-JTQLQIEISA-N 232.283 2.666 0 40 BFAB COc1ccc(OC)c([C@H](O)c2ccc(C)o2)c1 40244873 XPHAWEGMQRMXQV-AWEZNQCLSA-N 248.278 2.687 0 40 BFAB CC(C)C(=O)c1cc(F)c(F)c(F)c1 43391820 NZWUQTAVWPFJKT-UHFFFAOYSA-N 202.175 2.943 0 40 BFAB O=C(c1ccno1)N(Cc1ccsc1)C1CC1 44446495 BXXXGSWBGKWMKK-UHFFFAOYSA-N 248.307 2.541 0 40 BFAB CCCS(=O)(=O)Nc1cccc(Cl)c1C 45929245 MBTLSNRPGDQYJU-UHFFFAOYSA-N 247.747 2.800 0 40 BFAB CO[C@@H](C)CC(=O)N[C@H](c1ccccc1)C(C)C 58268322 BTSOEYUCMSYGQL-WFASDCNBSA-N 249.354 2.925 0 40 BFAB CCC(=O)N[C@@H](c1ccccc1)c1ccncc1 60643002 XFCFEJUVTXRENV-HNNXBMFYSA-N 240.306 2.697 0 40 BFAB O[C@@H](c1cccc2cc[nH]c12)C(F)(F)F 66338892 OCSJDSSFVBWSFW-VIFPVBQESA-N 215.174 2.764 0 40 BFAB Cc1ccc(C(=O)OCc2ccccc2)cn1 71789972 IPQRAUYMTFBYLE-UHFFFAOYSA-N 227.263 2.747 0 40 BFAB CC(=O)c1ccc(-c2ccnc3[nH]ccc23)nc1 72137173 OKDIIRRJUZTNCS-UHFFFAOYSA-N 237.262 2.828 0 40 BFAB NCC1(c2cc(-c3ccc(F)cc3)on2)CCC1 72220671 MXLOVLLIEGOQKD-UHFFFAOYSA-N 246.285 2.861 0 40 BFAB CCC[C@H](C)Sc1ncnc2c1cnn2C 75093564 UKKHCBLZGAWMLL-QMMMGPOBSA-N 236.344 2.644 0 40 BFAB C/C=C/CSCC(=O)N[C@H](C)c1ccco1 78797216 UKNPALACWZRMNG-HMDXOVGESA-N 239.340 2.766 0 40 BFAB CCc1ccc2[nH]c(CC)c(C)c(=O)c2c1 82449738 NSMYDYHSPPLOKT-UHFFFAOYSA-N 215.296 2.961 0 40 BFAB Cc1cc(NCc2cc(F)ccc2F)no1 83353081 YTWMWKHXLDRSEX-UHFFFAOYSA-N 224.210 2.873 0 40 BFAB O=C(C1CCCC1)N1CCC[C@@H]2CCC[C@@H]21 89818009 CPAXREDCEZYJJO-AAEUAGOBSA-N 221.344 2.968 0 40 BFAB Nc1c(Br)ccc2cnccc12 91302187 TZHVTCQPCFBQGU-UHFFFAOYSA-N 223.073 2.580 0 40 BFAB CC[C@@H](N[C@@H]1C=C[C@H](CO)C1)c1ccc(C)cc1 95979781 DXYPXVFLRRIOEH-NUEKZKHPSA-N 245.366 2.973 0 40 BFAB C[C@@]12CC3CC(NC(N)=S)(C1)C[C@@](C)(C3)C2 100097731 JHIOEXDHTUFGGB-FHQIDYJMSA-N 238.400 2.569 0 40 BFAB C1=CC[C@@]23C=C[C@@]2(C1)[C@@H]1C=C[C@@H]3[C@H]2COC[C@@H]21 104286567 QXBDRQSGBBHKCP-DERJNBNXSA-N 226.319 2.957 0 40 BFAB Cc1ccc2c(N)nccc2c1Br 199795467 OCAYVAGWCGMOAN-UHFFFAOYSA-N 237.100 2.888 0 40 BFAB CCn1nc(C)c([C@@H]2CCCCCN2)c1C 217459229 GQARAZHJQHEFHB-LBPRGKRZSA-N 221.348 2.725 0 40 BFAB Cc1ccc(C)c(N2CCN[C@@H]3CCC[C@H]32)c1 218845919 ZPJDLBYDCKSVLK-ZIAGYGMSSA-N 230.355 2.634 0 40 BFAB CC(C)n1ncc2c1N[C@H](C1CC1)CC2 225813339 DZGGOWSVWBYXKG-NSHDSACASA-N 205.305 2.601 0 40 BFAB Cc1csc(C(=O)O)c1Br 334411 DQOPXMCMKCJDPJ-UHFFFAOYSA-N 221.075 2.517 0 40 BFAB in-vitro CC1CCC(S[C@@H]2CC(=O)CCC2=O)CC1 1579159 BFVAXXONUGUDCU-QEIKUCIBSA-N 240.368 2.989 0 40 BFAB Oc1ccc(O)c(-[n+]2ccc3ccccc3c2)c1 1668835 XDRPPRAQBFKLRN-UHFFFAOYSA-O 238.266 2.528 0 40 BFAB O=C1Nc2ccccc2/C1=C/c1ccc(O)cc1 2939076 PLAOAGFXNCEZMZ-LCYFTJDESA-N 237.258 2.885 0 40 BFAB biogenic O=C(NCC(F)(F)F)c1cc2ccccc2o1 5419217 XBPNKUQBTDERHL-UHFFFAOYSA-N 243.184 2.725 0 40 BFAB Cc1cc(C)nc(SCc2cccnc2)n1 6275821 HRWWLLDXKLCTAX-UHFFFAOYSA-N 231.324 2.781 0 40 BFAB Nc1ccccc1NC(=O)NC1CCCCC1 6402706 YRXVRUSZJQMNNA-UHFFFAOYSA-N 233.315 2.723 0 40 BFAB CCNC(=O)[C@@H](C)Oc1cc(C)cc(C)c1C 20105065 IRMSGYBMKYTFTQ-GFCCVEGCSA-N 235.327 2.515 0 40 BFAB NCC1(c2ccc(Br)cc2)CCC1 20429498 VJQZVOUMGNRLJU-UHFFFAOYSA-N 240.144 2.830 0 40 BFAB in-vitro c1csc(CCNc2nccs2)c1 21017074 GVQWABCECYBSTB-UHFFFAOYSA-N 210.327 2.859 0 40 BFAB CCCC[C@@H](CC)CNC1CCOCC1 36304236 QCPSEEOCFMSSGA-GFCCVEGCSA-N 213.365 2.971 0 40 BFAB Cc1cc(Br)cc2c1NCC2 37116732 FPXFPTJSPKPIHJ-UHFFFAOYSA-N 212.090 2.726 0 40 BFAB CCc1c(C)[nH]c2c(CC)cccc2c1=O 38005082 YRAQIHAZPYUXHF-UHFFFAOYSA-N 215.296 2.961 0 40 BFAB Cc1ccc(Cl)c(OCc2nc(C)no2)c1 40489686 IJGFODSJIZBBAG-UHFFFAOYSA-N 238.674 2.919 0 40 BFAB COCc1ccccc1C(=O)NCCC(C)C 46116315 SSQOYDQPJLCTBQ-UHFFFAOYSA-N 235.327 2.609 0 40 BFAB O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)C1CC1 55274561 GTRRRNMDQVLUAB-DTWKUNHWSA-N 235.249 2.634 0 40 BFAB O=CN1CCC[C@H]1c1cnc2ccccc2c1 72219554 PCBFZNBXIFXJTP-AWEZNQCLSA-N 226.279 2.528 0 40 BFAB CCNC(=O)N(C)Cc1ccc(SC)cc1 72537527 KAYUWZGKZGEBOW-UHFFFAOYSA-N 238.356 2.570 0 40 BFAB CC(=O)Nc1cc(Cc2ccccc2)ccc1O 81459972 VVIIJGQLBSLIKK-UHFFFAOYSA-N 241.290 2.941 0 40 BFAB COc1cc(OC)cc(C(=O)C2CCC2)c1 87124023 WVFOTPLSFVHBGA-UHFFFAOYSA-N 220.268 2.687 0 40 BFAB CONC(=O)[C@@H]1C[C@H]1c1cccc2ccccc12 89420513 AIBSUEFOEGYDGK-UONOGXRCSA-N 241.290 2.621 0 40 BFAB CC1(C)[C@H]2CN(c3nc(C4CC4)ns3)C[C@H]21 89917694 WLAHBIQVKCBQAR-DTORHVGOSA-N 235.356 2.508 0 40 BFAB O=C(c1cc2cccc(F)c2o1)N1CCCC1 95401777 WQQQYVPVOHOTAW-UHFFFAOYSA-N 233.242 2.808 0 40 BFAB C[C@@H](NCc1ccc(F)cc1)[C@@H]1CCCOC1 96002107 GVULEYXSTSNZOQ-DGCLKSJQSA-N 237.318 2.730 0 40 BFAB CC(C)[C@](C)(Cc1ccccc1)C(=O)O 98090751 HHYUSUWCEGGVAG-ZDUSSCGKSA-N 206.285 2.976 0 40 BFAB in-vitro C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]2C=C[C@H]1C2 102250390 IBMOGUWIKOQARO-MROQNXINSA-N 219.328 2.600 0 40 BFAB CCC(=O)c1cccc(OC(F)F)c1 164023600 ABOPVIFWVZGROI-UHFFFAOYSA-N 200.184 2.881 0 40 BFAB C/C=C\C(=O)N1C(=O)O[C@H](c2ccccc2)[C@@H]1C 201100762 OWXHDOIFLLGSQV-LRFZSCNTSA-N 245.278 2.671 0 40 BFAB CC(C)OC(=O)c1snnc1-c1ccccc1 223831204 PLPOXNDPIDAFGE-UHFFFAOYSA-N 248.307 2.770 0 40 BFAB CCC[C@@H](C)NC(=O)Cc1ccc(OC)c(C)c1 225029052 MFQYWHFGQGPSTF-GFCCVEGCSA-N 249.354 2.851 0 40 BFAB Cc1ccc(CNCc2ccccc2)n1C 226018996 KMBKYAIRQDUDPD-UHFFFAOYSA-N 214.312 2.623 0 40 BFAB O=C(O)C=Cc1ccc(Br)cc1 1857775681 CPDDDTNAMBSPRN-UHFFFAOYSA-N 227.057 2.547 0 40 BFAB CCN(CC)C[C@H](O)CSc1cccs1 160139 QDWKEXRGGFNXKG-JTQLQIEISA-N 245.413 2.543 0 40 BFAB CC(=O)Nc1ccc(NCc2ccco2)cc1 246024 BHRJVOXHWXDERW-UHFFFAOYSA-N 230.267 2.850 0 40 BFAB CC(=O)NC(=C(Cl)Cl)c1ccccc1 369851 GYIKANQXBJMWHS-UHFFFAOYSA-N 230.094 2.926 0 40 BFAB Cc1ccc(/C=C/C(=O)NC(C)(C)C)o1 512544 RZFOYJYEZBTLDY-BQYQJAHWSA-N 207.273 2.516 0 40 BFAB Clc1ccc(Nc2ccccc2)nn1 553773 ULZCESXDSWFKGL-UHFFFAOYSA-N 205.648 2.874 0 40 BFAB in-vitro CCN1COc2c(C)cc(Cl)cc2C1 1569511 DVOQXYRTQXNNJT-UHFFFAOYSA-N 211.692 2.820 0 40 BFAB CCCCNC(=O)Nc1ccc(C(C)=O)cc1 2102881 DNUYTRPMHKJLSJ-UHFFFAOYSA-N 234.299 2.811 0 40 BFAB CCn1cc(SCC(=O)O)c2ccccc21 2555583 MMJJISRIJIKCGW-UHFFFAOYSA-N 235.308 2.838 0 40 BFAB CC[C@H](C)NC(=O)/C=C/c1cccs1 3173824 QGOXWQRHIFKHEA-UCUJLANTSA-N 209.314 2.676 0 40 BFAB Fc1ccc(OCCCNCc2ccco2)cc1 3247047 DXOPSRJRGZVVJP-UHFFFAOYSA-N 249.285 2.977 0 40 BFAB O=C1CCCC[C@@H]1Sc1ccccn1 4826075 VECQZXLTQCPVLJ-JTQLQIEISA-N 207.298 2.685 0 40 BFAB C[C@@H](O)c1ccc2c(c1)C=CC(C)(C)O2 6037122 ICIIMFRGWJJFIH-SECBINFHSA-N 204.269 2.924 0 40 BFAB endogenous,in-man O=[N+]1C=C(c2ccccc2)N(O)[C@@H]2CCCC[C@H]21 6229175 BXRVULKUDXECHN-CHWSQXEVSA-N 245.302 2.780 0 40 BFAB Sc1nnc(-c2ccc3ccccc3c2)[nH]1 9286966 ANQJCAZCYVDYCW-UHFFFAOYSA-N 227.292 2.914 0 40 BFAB O=C(Nc1ccncc1)c1cc(Cl)ccc1O 9512492 GOFGQNJZBLJUBR-UHFFFAOYSA-N 248.669 2.693 0 40 BFAB CCCCN1C(=O)C(=O)c2cc(C)cc(C)c21 11692646 ZUFBRWZKMVJKMH-UHFFFAOYSA-N 231.295 2.633 0 40 BFAB Cc1ccsc1C(=O)NC1CCCC1 12853394 AIJOPNQTVGOHJI-UHFFFAOYSA-N 209.314 2.729 0 40 BFAB C[C@@H]1CN(c2nc3ccccc3s2)C[C@@H](C)O1 13002882 JSTYBIGJUUNOKH-NXEZZACHSA-N 248.351 2.910 0 40 BFAB O=C1CC2(CCCC2)Oc2ccccc21 15973902 ICHMJHUCIOLELS-UHFFFAOYSA-N 202.253 2.965 0 40 BFAB in-vitro CC[C@H](C)N1CCN(C2CCCCC2)CC1 19900136 WNFAXYCQJBSZMK-ZDUSSCGKSA-N 224.392 2.735 0 40 BFAB Cc1ccnc2sc(C(=O)O)c(C)c12 20282718 JRVUCYYNYUHHSI-UHFFFAOYSA-N 207.254 2.611 0 40 BFAB in-vitro Cc1ccoc1C(=O)NCCc1ccccc1F 21669147 PTXRWLADXAKLON-UHFFFAOYSA-N 247.269 2.700 0 40 BFAB Cc1nc2ccc(NC(=O)[C@@H]3C[C@H]3C)cc2o1 32752871 ZKSMESAMZDKAQV-GMSGAONNSA-N 230.267 2.731 0 40 BFAB O=C(NCc1ccco1)NC1CCCCCC1 32841342 JGRKSEQJWFLLBW-UHFFFAOYSA-N 236.315 2.802 0 40 BFAB COc1ccc2ccccc2c1[C@H]1C[C@@H]1N 37381725 BXUWFDCOLNLBMW-RYUDHWBXSA-N 213.280 2.663 0 40 BFAB CCOc1cccc(CNCC(F)(F)F)c1 37678121 YNDIJVQWUYDGMF-UHFFFAOYSA-N 233.233 2.737 0 40 BFAB O=C(C1CCC1)N1CC[C@@H](c2ccccc2)C1 38566850 NSOIUWZLJRXMQU-CQSZACIVSA-N 229.323 2.803 0 40 BFAB CCc1csc(-c2ccccc2N)n1 39100947 MPHRTLUBYIHERL-UHFFFAOYSA-N 204.298 2.955 0 40 BFAB CCn1ccc(=O)c2cccc(Cl)c21 40164112 JJDAOXYJVANHEQ-UHFFFAOYSA-N 207.660 2.675 0 40 BFAB CS[C@@H](C)C(=O)Nc1ccc(C)c(F)c1 42814826 FSNKRZAOVXADMR-QMMMGPOBSA-N 227.304 2.824 0 40 BFAB O=C(c1ccccn1)c1c(F)cccc1F 43210491 HSAZQRAHMBHWJA-UHFFFAOYSA-N 219.190 2.591 0 40 BFAB O=C(CC(F)(F)F)N1CC[C@@H]2CCCC[C@H]2C1 44601577 IGBRBWYENLMOSF-UWVGGRQHSA-N 249.276 2.978 0 40 BFAB CCOC(=O)CCCCc1ccc(O)cc1 45328539 XFWCPDUOSYVHTR-UHFFFAOYSA-N 222.284 2.668 0 40 BFAB O=C(N[C@H]1CCCc2occc21)c1ccoc1 69436045 JHONZSCLCAKNIN-NSHDSACASA-N 231.251 2.680 0 40 BFAB Cc1ccn(Cc2ccccc2C)c(=O)c1 69615846 XXUMDXAAKDKPIV-UHFFFAOYSA-N 213.280 2.513 0 40 BFAB CCN1CCCC[C@H]1c1ccc(OC)nc1 72211680 UPDMWTHFYWSOKG-LBPRGKRZSA-N 220.316 2.637 0 40 BFAB O[C@H]1CCc2c1cccc2C(F)(F)F 72265789 WYRONQVMJMJUKG-VIFPVBQESA-N 202.175 2.685 0 40 BFAB CCOC(=O)[C@@H](C)n1ccc2ccccc21 82170036 FYCWDFQQAZYIFZ-SNVBAGLBSA-N 217.268 2.765 0 40 BFAB Cc1[nH]c(-c2ccccc2)c(C)c1C(=O)O 83207160 ZAVFMNSWALPFFQ-UHFFFAOYSA-N 215.252 2.997 0 40 BFAB Cc1cnc(Oc2cccc(F)c2)c(N)c1 85426353 AUFZCTIFKMWPFV-UHFFFAOYSA-N 218.231 2.904 0 40 BFAB CCOc1ccc2nc(Cl)cnc2c1 95097341 QPTNZEQHQJTRGZ-UHFFFAOYSA-N 208.648 2.682 0 40 BFAB CC(C)Oc1cccc(CC(C)(C)O)c1 95729095 CZBNFJILHFNLEM-UHFFFAOYSA-N 208.301 2.787 0 40 BFAB NC1(c2cc(F)ccc2Br)CC1 95831185 OYVBZIXWTGBREY-UHFFFAOYSA-N 230.080 2.536 0 40 BFAB Cc1ccccc1CC(=O)Nc1ccncc1F 95975739 DASRYEBFUCPOJW-UHFFFAOYSA-N 244.269 2.710 0 40 BFAB CCSCC[C@H](C)NC(=O)[C@H]1CC=CCC1 96433115 QIJKUKCYBMTISV-RYUDHWBXSA-N 241.400 2.991 0 40 BFAB Cn1ccc2c(Cl)nc(Cl)cc21 146773064 VGNJDCDOAYASAA-UHFFFAOYSA-N 201.056 2.880 0 40 BFAB CC(C)(O)c1ccc(OCCCF)cc1 195553210 UVEAIYFCKOPZEZ-UHFFFAOYSA-N 212.264 2.652 0 40 BFAB CCN(c1cc(C)ccc1C)[C@@H](C)C(=O)O 224982880 CUOOSPHYICZYPB-NSHDSACASA-N 221.300 2.603 0 40 BFAB C/C=C/C(=O)c1ccc(C(=O)OCC)s1 379799105 MRJIIEWMEBNLJH-HWKANZROSA-N 224.281 2.684 0 40 BFAB CC[C@H](C)OCc1ccn(C(F)F)n1 408715322 INVCPAYXHJZSPY-ZETCQYMHSA-N 204.220 2.593 0 40 BFAB Cc1nn(C)c(=S)n1-c1ccc(Cl)cc1 1402571 SANIEXHOBJGXSL-UHFFFAOYSA-N 239.731 2.902 0 40 BFAB O=C(Nc1ccccc1O)Nc1ccccc1O 1680934 YGOBLLDZSBDISH-UHFFFAOYSA-N 244.250 2.742 0 40 BFAB NCCc1ccc2c(c1)[nH]c1ccccc12 1697113 LNRTZXJBLJXDSW-UHFFFAOYSA-N 210.280 2.822 0 40 BFAB CCOC(=O)c1ccc(C(=O)C2CCC2)cc1 2514311 JVGGVLGYEVKWJU-UHFFFAOYSA-N 232.279 2.846 0 40 BFAB Clc1ccc2oc(-c3cn[nH]c3)nc2c1 3173304 WXGJYEGYASPRDN-UHFFFAOYSA-N 219.631 2.871 0 40 BFAB Cc1cc([C@H](C)N)ccc1Br 3705643 GPDLQTSXVDZBBN-ZETCQYMHSA-N 214.106 2.777 0 40 BFAB OCc1cc(-c2ccccc2)cnc1Cl 5059291 YWCQGXCDEBZVGP-UHFFFAOYSA-N 219.671 2.894 0 40 BFAB in-vitro Cc1ccc(NC(=O)c2cnc(C)cn2)c(C)c1 6340339 PXYUYQYKILTPLR-UHFFFAOYSA-N 241.294 2.654 0 40 BFAB Cc1ccc(CS[C@@H](C)C(=O)O)cc1 6426710 HGAGZOQIDUIMPU-VIFPVBQESA-N 210.298 2.701 0 40 BFAB O=C(NC[C@@H]1C[C@H]2CC[C@@H]1C2)c1cccc(F)c1 6926051 AJPYURYLMKTZRR-LOWVWBTDSA-N 247.313 2.992 0 40 BFAB C[C@@H]1C[C@@H](C)CN(Cc2ccc(C(=O)O)cc2)C1 8730777 UNFKFDPZANOSFJ-VXGBXAGGSA-N 247.338 2.863 0 40 BFAB CC(C)CC(=O)Nc1ccc(Cl)c(N)c1 8732390 BRZQCGTYVCSWPQ-UHFFFAOYSA-N 226.707 2.907 0 40 BFAB CCCCNC(=O)COc1cc(C)ccc1C 10471943 DDPSBFDVASSJQL-UHFFFAOYSA-N 235.327 2.599 0 40 BFAB Cc1cnc(NC(=O)C[C@@H]2C=CCC2)s1 10624701 JLVRWWIILDGSET-SECBINFHSA-N 222.313 2.746 0 40 BFAB O=C(O)C[C@H](c1ccc(F)cc1)C1CC1 11628820 QACZBOZZQZEAGE-NSHDSACASA-N 208.232 2.794 0 40 BFAB CC(C)(C)c1ccc2nc(NN)sc2c1 14985082 RFKPNKBREOEDQW-UHFFFAOYSA-N 221.329 2.879 0 40 BFAB COC(=O)C[C@@H](N)c1ccc(C(C)(C)C)cc1 19784029 NEZVKALLWWCNSX-GFCCVEGCSA-N 235.327 2.547 0 40 BFAB in-vitro CC(C)N(Cc1ccccc1)C[C@@H]1CCCNC1 20072398 XOCIXSPXICDNGC-MRXNPFEDSA-N 246.398 2.897 0 40 BFAB CC(C)c1noc(-c2ccccc2O)n1 22120029 OETPNMWGDJOKMW-UHFFFAOYSA-N 204.229 2.566 0 40 BFAB COc1ccc(O[C@@H]2CCCCC[C@@H]2N)cc1 22566932 MVRAAGDYNSOXMU-UONOGXRCSA-N 235.327 2.734 0 40 BFAB Cc1cccc(-c2ncc(C=O)s2)c1 22864315 MQUFKDMUTLOWEC-UHFFFAOYSA-N 203.266 2.931 0 40 BFAB Oc1nc(Cl)nc2ccc(Cl)cc12 26899499 SHJZIBHISYWVLR-UHFFFAOYSA-N 215.039 2.642 0 40 BFAB CN(C(=O)C1CCC1)[C@@H]1CCc2ccccc21 32905286 SOADSGSCZNRCGW-CQSZACIVSA-N 229.323 2.932 0 40 BFAB O=C(O)/C=C\c1cc(F)ccc1C(F)(F)F 33364691 LGTHHQOWFLXKQU-RJRFIUFISA-N 234.148 2.942 0 40 BFAB ClC1(Cl)C[C@@H]1Cn1nnc2ccccc21 35144390 QSBKMHCPCLXRAF-SSDOTTSWSA-N 242.109 2.625 0 40 BFAB OCc1ccc(-c2ccccc2Cl)nc1 35630050 AASKFMJJTUHRDO-UHFFFAOYSA-N 219.671 2.894 0 40 BFAB Cc1ccc(C(=O)N[C@@H](C)c2ccc(C)o2)o1 36392496 QIIOTTHGSQPLHW-JTQLQIEISA-N 233.267 2.980 0 40 BFAB c1ccc([C@@H](CNCC2CC2)N2CCCC2)cc1 36882419 FPZDJIWNYWDAKI-MRXNPFEDSA-N 244.382 2.823 0 40 BFAB CCCC(=O)N[C@@H](C)c1cccc(F)c1 42673072 LTEXQGXVNNXSID-VIFPVBQESA-N 209.264 2.803 0 40 BFAB Cn1c(Cl)cnc1CN1CCc2ccccc21 48417255 MMJNUCSIFPQKCB-UHFFFAOYSA-N 247.729 2.636 0 40 BFAB CC(C)c1cc(NC(=O)c2cccc(F)c2)[nH]n1 49044450 FDCCRJOIFFTFFX-UHFFFAOYSA-N 247.273 2.925 0 40 BFAB NC(=O)[C@]1(c2ccccc2)C[C@@H]1c1ccccc1 51330284 BUIVWFXITQHJJQ-ZBFHGGJFSA-N 237.302 2.597 0 40 BFAB COc1c(Cl)cc(Cl)cc1C(=O)N(C)C 59843446 SEIWSMAPAXXUKZ-UHFFFAOYSA-N 248.109 2.704 0 40 BFAB CCn1nc(C)c2nc(C(C)C)nc(Cl)c21 62711047 ZTMYEMFQQSIVMG-UHFFFAOYSA-N 238.722 2.931 0 40 BFAB C[C@@H]1Cc2c(Br)cccc2[C@H]1O 86721616 ZNUYQILMSVDWLL-LDWIPMOCSA-N 227.101 2.675 0 40 BFAB Cc1ocnc1C(=O)N1c2ccccc2C[C@@H]1C 89556254 WZRBQIUJXNCTKI-VIFPVBQESA-N 242.278 2.574 0 40 BFAB CCOc1ncc(Br)cc1Cl 91366372 HOIWCAIWRYBPSO-UHFFFAOYSA-N 236.496 2.896 0 40 BFAB in-vitro CCCOc1c(F)cc(C(C)=O)cc1F 95732363 ZNALTDMMRXFLRI-UHFFFAOYSA-N 214.211 2.956 0 40 BFAB CC(C)[C@](C)(O)c1ccc(N(C)C)cc1 95739268 LKJAZNCSTMQMMK-ZDUSSCGKSA-N 207.317 2.616 0 40 BFAB CCCN(CCCCCN)Cc1ccco1 96523836 ZHBVZEKVPCUCRD-UHFFFAOYSA-N 224.348 2.621 0 40 BFAB c1nc(N2C[C@H]3CCC[C@H]3C2)c2ccsc2n1 98019106 AFJFPQDCNPLBGB-AOOOYVTPSA-N 245.351 2.928 0 40 BFAB Cc1ccc(-c2cn3c(O)cc(C)nc3n2)cc1 100325334 XXLXTGJAIGZTEB-UHFFFAOYSA-N 239.278 2.719 0 40 BFAB CC1(C)[C@@H]2CC[C@]1(C)c1oc(=O)ccc12 100366891 OPMVGRRHQPBJEO-NOZJJQNGSA-N 204.269 2.815 0 40 BFAB CC1=CCC[C@H](C)[C@@H]1CNC[C@@H](C)C[C@@H](C)O 152596876 ZNGVJEXTUVATIK-SPWCGHHHSA-N 239.403 2.975 0 40 BFAB NN[C@H](c1ccccc1)C1CCCCC1 161793080 JOGQVYQKXSCYKK-CYBMUJFWSA-N 204.317 2.771 0 40 BFAB CC(C)CCOc1nn(C)c2ccc(N)cc12 225770331 DAKZQRATTQVQKX-UHFFFAOYSA-N 233.315 2.580 0 40 BFAB O=C(O)c1c(OC2CC2)cnc2c(F)cccc12 685937382 OEBAJNXEWLORMR-UHFFFAOYSA-N 247.225 2.613 0 40 BFAB CCc1c(C2CC2)[nH]c2ccc(OC)cc2c1=O 685938343 IVQCANBXSHSDFB-UHFFFAOYSA-N 243.306 2.977 0 40 BFAB CC(C)(C)OC(=O)NC1(c2ccc(O)cc2)CC1 706637974 XFHZJANIHDHUJG-UHFFFAOYSA-N 249.310 2.906 0 40 BFAB CC(C)(C)NC(=O)COc1ccc(Cl)cc1 585049 SGPYEVWBIONAKC-UHFFFAOYSA-N 241.718 2.634 0 40 BFAB c1ccc(-c2nc3ccccc3c3nncn23)cc1 793345 JXNCKUNFELPBJQ-UHFFFAOYSA-N 246.273 2.945 0 40 BFAB C/C=C/COc1ccc(NC(C)=O)cc1 1556241 STQVRIAYJCDULD-ONEGZZNKSA-N 205.257 2.600 0 40 BFAB COC(=O)c1cccc(-c2ccccc2)c1O 1681214 UWLIQOZMBHHQFI-UHFFFAOYSA-N 228.247 2.846 0 40 BFAB COc1ccc2ccccc2c1NC(C)=O 1703955 LYVMFFWWYPWPQD-UHFFFAOYSA-N 215.252 2.807 0 40 BFAB O=c1cc(-c2ccccc2)[nH]c2c1CCCC2 5479593 JQAQWCPQGMLSGO-UHFFFAOYSA-N 225.291 2.921 0 40 BFAB C[C@H](NC(=O)c1ccccc1F)c1ccco1 8360268 FPGIQPYXWISMEM-VIFPVBQESA-N 233.242 2.910 0 40 BFAB C[C@@H](NCc1ccc(C(=O)O)o1)c1ccccc1 8729696 HLFZFBSLTOUXDD-SNVBAGLBSA-N 245.278 2.829 0 40 BFAB NCCCN1CCC[C@@H]1c1ccc(Cl)cc1 12398993 QGPYZCNSGHUMTF-CYBMUJFWSA-N 238.762 2.826 0 40 BFAB C[C@@H]1C[C@@H]1C(=O)Nc1nc2ccccc2s1 12921719 FHJQNQMNXFCJJM-SFYZADRCSA-N 232.308 2.891 0 40 BFAB C[C@H]1CCCCN1c1ccccc1CN 15937441 NADCYVQOPOFMSQ-NSHDSACASA-N 204.317 2.524 0 40 BFAB O=C(O)c1nc(-c2cc3ccccc3[nH]2)cs1 16525580 MVCCBYUROXRECH-UHFFFAOYSA-N 244.275 2.990 0 40 BFAB COCCCNc1nc2ccccc2s1 20284239 NAWHQLGVAYDVQW-UHFFFAOYSA-N 222.313 2.745 0 40 BFAB CC(C)COC(=O)c1c[nH]c2ccccc12 22975794 UMYWUGUHMJHWRL-UHFFFAOYSA-N 217.268 2.981 0 40 BFAB O=C(NC(C1CC1)C1CC1)c1cccs1 32903629 OYRBICRJFDWSHX-UHFFFAOYSA-N 221.325 2.667 0 40 BFAB C[C@](O)(CN)C(c1ccccc1)c1ccccc1 35056313 WEGIMRRECBCCBS-INIZCTEOSA-N 241.334 2.528 0 40 BFAB CNCc1ccc(-c2cccc(F)c2)o1 36818911 SEILQWQZNOXVSP-UHFFFAOYSA-N 205.232 2.805 0 40 BFAB CCC[C@@H](N)CN(CC)Cc1ccccc1 36873613 OEIYBGFYNGSRTL-CQSZACIVSA-N 220.360 2.636 0 40 BFAB O=C(O)C[C@H](c1ccccc1)C(F)(F)F 38673747 RYLOHTVBYHZHMN-MRVPVSSYSA-N 218.174 2.807 0 40 BFAB in-vitro O=C(c1ccc(OC(F)F)cc1)C1CC1 41226120 RWNVDUGKSPLHAO-UHFFFAOYSA-N 212.195 2.881 0 40 BFAB CO[C@H](CNC(=O)C(C)(C)C)c1ccccc1 42751299 YISUVOVYNVFLBY-GFCCVEGCSA-N 235.327 2.536 0 40 BFAB CCCC(C)(C)NC(=O)c1scnc1C 50497338 AWPVMMOHGAGDEW-UHFFFAOYSA-N 226.345 2.760 0 40 BFAB COc1ccc(C)cc1[C@@](C)(O)C1CC1 55261540 IQQDXRCVQMROPJ-ZDUSSCGKSA-N 206.285 2.621 0 40 BFAB Cc1ccccc1NCCC(=O)NC(C)(C)C 58401494 SMDFRAJAQNCVTE-UHFFFAOYSA-N 234.343 2.712 0 40 BFAB Cn1nccc1-c1nc2cc(Cl)ccc2[nH]1 70234377 JOALZCMZEZDJJK-UHFFFAOYSA-N 232.674 2.617 0 40 BFAB O=Cc1ccc(-n2cc(C(F)(F)F)cn2)cc1 70466837 XNIOOCZQLOFSJS-UHFFFAOYSA-N 240.184 2.704 0 40 BFAB O=C(O)C1(c2cc(-c3ccco3)on2)CCCC1 72220629 NYRHNMVNUKFPTL-UHFFFAOYSA-N 247.250 2.831 0 40 BFAB CC(C)n1cnc2cc(C(=O)NC3CC3)ccc21 74957075 SKSVQZMIYYUHKJ-UHFFFAOYSA-N 243.310 2.509 0 40 BFAB C[C@@H](OC(=O)c1ccoc1)c1nccs1 78975967 HWNZIQIXBDLZPB-SSDOTTSWSA-N 223.253 2.654 0 40 BFAB O=C(O)[C@@H]1CCCN(c2ccccc2Cl)C1 82714058 SDYAQCXDLLKIIH-SECBINFHSA-N 239.702 2.641 0 40 BFAB Fc1ccc(Cl)cc1CNc1nncs1 83372075 ZWQULCHGQPWDCJ-UHFFFAOYSA-N 243.694 2.943 0 40 BFAB CSc1nc(Cl)c2[nH]nc(C(C)C)c2n1 89157514 IJOOBOJXEIFQBG-UHFFFAOYSA-N 242.735 2.852 0 40 BFAB in-vitro CC(C)CCOc1c(F)cc(F)cc1CCO 95732035 LWGPPFWNSJWROM-UHFFFAOYSA-N 244.281 2.925 0 40 BFAB Fc1cc(Cl)ncc1Br 95932333 IHOUCYWEAFGESV-UHFFFAOYSA-N 210.433 2.637 0 40 BFAB in-vitro CCNC(=O)[C@@H](Cc1ccccc1)C(C)C 96416399 WJZDBABZFUMBFK-ZDUSSCGKSA-N 219.328 2.637 0 40 BFAB CCN(CC)Cc1cccc(COC)c1 96483398 MKSJVPGMCNLKIW-UHFFFAOYSA-N 207.317 2.675 0 40 BFAB FC1(F)[C@H]2[C@H]3[C@@H]4C[C@@H]5[C@@H]3[C@H]2C(F)(F)[C@H]5[C@@H]41 100884499 GYFYKIHJGPVWNB-UXPCWHEFSA-N 218.193 2.645 0 40 BFAB CCCCN1CCC[C@H]1CCCNC1CC1 218329415 LVQBONBDHHYGJO-CQSZACIVSA-N 224.392 2.783 0 40 BFAB O[C@H]1CC[C@H](NCc2cccc(Cl)c2)CC1 242498448 HFNADFUHMRTDFZ-JOCQHMNTSA-N 239.746 2.733 0 40 BFAB Cn1nc(C2CC2)cc1NCCc1ccccc1 256051284 INMPTAQKTYAFTK-UHFFFAOYSA-N 241.338 2.952 0 40 BFAB COc1cc(F)cc(C(=O)C2CCC2)c1 306909233 GZVVCKVZQFKGRO-UHFFFAOYSA-N 208.232 2.817 0 40 BFAB COc1cc(C(=O)C2CC2)cc(F)c1F 382677757 ZLMVSZZUXWMHFG-UHFFFAOYSA-N 212.195 2.566 0 40 BFAB C=Cc1ccc(C(=O)C(C)(C)OC(C)=O)cc1 575358892 JOSGGJULXQDDSL-UHFFFAOYSA-N 232.279 2.854 0 40 BFAB CC(C)(C)C(=O)N1CCC(C2CC2)CC1 646758497 WYHQNUXPFYSKKJ-UHFFFAOYSA-N 209.333 2.681 0 40 BFAB CCOc1ccc(CNCc2cccnc2)cc1 359773 BPNSZEZLJVCJAW-UHFFFAOYSA-N 242.322 2.770 0 40 BFAB CC[C@@H](C)c1ccccc1OC[C@H](C)O 1640786 OGBFCLDMRJRDJH-MNOVXSKESA-N 208.301 2.960 0 40 BFAB C=CC(=O)OCCOc1ccc2ccccc2c1 2571987 OEXUTOBUVQBHCH-UHFFFAOYSA-N 242.274 2.948 0 40 BFAB Cc1nc2ccc(NC(=O)NC3CC3)cc2s1 4739778 VDBNEUOFIIPKLN-UHFFFAOYSA-N 247.323 2.889 0 40 BFAB COC(=O)c1c(C)nc2ccccc2c1C 5534284 XQLNMJAKGKSIJR-UHFFFAOYSA-N 215.252 2.638 0 40 BFAB CCc1ccc(Nc2ncc(C=O)cn2)cc1 8702947 WUZJWGVHZSZCCD-UHFFFAOYSA-N 227.267 2.595 0 40 BFAB CC[C@@H](C)C(=O)Nc1ccc(NC(C)=O)c(C)c1 12985371 KHVMGBGXPYYLHO-SECBINFHSA-N 248.326 2.938 0 40 BFAB CCN1CN=C(S)N([C@@H](C)c2ccccc2)C1 20171168 OHZVZCBIKHMPBE-NSHDSACASA-N 249.383 2.586 0 40 BFAB Cc1cccc(NC(=O)NCC[C@@H]2CCCO2)c1 25236531 ATGGTQPGWQQKEM-ZDUSSCGKSA-N 248.326 2.686 0 40 BFAB c1csc(-c2cn3c(n2)CCCC3)c1 26441354 ABIGKHIPRZYAID-UHFFFAOYSA-N 204.298 2.948 0 40 BFAB OCc1ccccc1NC[C@@H]1CC=CCC1 37133572 XLJZRWZCONHCFA-GFCCVEGCSA-N 217.312 2.947 0 40 BFAB c1cc(-c2noc(CNC3CCCC3)n2)cs1 37394992 NBNKZAQLOQWOOR-UHFFFAOYSA-N 249.339 2.830 0 40 BFAB in-vitro C[C@@H](N)CCc1ccc(OC(F)(F)F)cc1 37408528 BOGCECXCLCDIFL-MRVPVSSYSA-N 233.233 2.865 0 40 BFAB O=C(NCC1CC1)c1c(F)cccc1Cl 44230984 UGUKDOQSMQYBNQ-UHFFFAOYSA-N 227.666 2.619 0 40 BFAB CCOC(=O)c1ccc(-c2ccnc(C)c2)o1 45028413 VXYFFIKFYBGTSP-UHFFFAOYSA-N 231.251 2.827 0 40 BFAB O=C(O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 62494843 UKRIUIRBTVRYAH-RKDXNWHRSA-N 230.185 2.894 0 40 BFAB CCN(CC)c1ccc([C@H]2C[C@H]2CN)cc1 62494922 IZPPELIVXYQZQR-GXTWGEPZSA-N 218.344 2.595 0 40 BFAB Fc1ccc(-c2cnc(Cl)cn2)cc1 62710305 NTRDNBRDAXKFLE-UHFFFAOYSA-N 208.623 2.936 0 40 BFAB CSc1ccc([C@H]2CCCCN2C)cn1 72216895 IVPWLIHNMAMDGA-LLVKDONJSA-N 222.357 2.960 0 40 BFAB CO[C@H](C)c1ccc(SCC(=O)O)cc1 72220262 DTYOZVOTLZLRTI-MRVPVSSYSA-N 226.297 2.571 0 40 BFAB CCCN(CC(=O)O)c1cc(Cl)ccc1C 76624182 OIYWJGJSPSGHEM-UHFFFAOYSA-N 241.718 2.949 0 40 BFAB CC[C@H]1Oc2cc(Br)ccc2[C@H]1N 87015748 UIWMYSLDMCUPGG-PSASIEDQSA-N 242.116 2.620 0 40 BFAB C[C@]1(c2nc(C3CCCCCC3)no2)CCNC1 87945233 OSARMZMIROCWRL-AWEZNQCLSA-N 249.358 2.758 0 40 BFAB CSc1ccc(NCc2cccnc2)cn1 89496599 JWMVLXZQAKNWHU-UHFFFAOYSA-N 231.324 2.811 0 40 BFAB Cc1ccc2nc(N)c(Br)cc2c1 95098186 LUSHHNDWXPQZAC-UHFFFAOYSA-N 237.100 2.888 0 40 BFAB CCC(CC)[S@](=O)Cc1ccn(C(C)C)n1 95418332 WWQIDMNTJRSOFT-INIZCTEOSA-N 242.388 2.901 0 40 BFAB CC[C@@H](O)CN[C@H](C)[C@H](C)c1ccccc1 97110039 PXEKSGOZQYXUGP-OUCADQQQSA-N 221.344 2.539 0 40 BFAB Cc1ncncc1-c1nc(-c2cccs2)no1 113703860 AVSWKYNBNVUQAJ-UHFFFAOYSA-N 244.279 2.564 0 40 BFAB CC(C)[C@@H]1C[C@@H](O)c2cc(F)ccc2O1 130998798 UTDGIWTYNPLBGD-PWSUYJOCSA-N 210.248 2.666 0 40 BFAB NCC(F)(F)Sc1ccccc1Cl 131750358 DNZPSPBLLQBOGM-UHFFFAOYSA-N 223.675 2.984 0 40 BFAB O=C(c1c(F)cccc1F)C(F)(F)Cl 158687073 FYRCTEMVHBMPFB-UHFFFAOYSA-N 226.556 2.979 0 40 BFAB COC(=O)c1c[nH]c(=S)n1C1CCCCC1 225319799 IQVINEUIRWAASC-UHFFFAOYSA-N 240.328 2.837 0 40 BFAB COC(=O)CCCCC(=O)c1cccc(F)c1 259673111 JXBPQDUEQJSSMV-UHFFFAOYSA-N 238.258 2.742 0 40 BFAB COc1cc2c(cc1C)[C@@H]1ON=C[C@H]1CC2 408722130 FCYFANLEKNPWAY-ZWNOBZJWSA-N 217.268 2.623 0 40 BFAB Clc1ccc2c(c1)c(Cl)nc1cnnn12 409422681 JLTKDJDYMFTCQF-UHFFFAOYSA-N 239.065 2.584 0 40 BFAB Cc1ccc(NC(=O)CCc2ccccc2)nc1 36077 MSLCAFDMWPKQIC-UHFFFAOYSA-N 240.306 2.961 0 40 BFAB CC(C)CCOc1ccc(CC(=O)O)cc1 338750 ZLBCGSCMPBSKFG-UHFFFAOYSA-N 222.284 2.739 0 40 BFAB Fc1ccc(-c2nc(-c3ccccn3)no2)cc1 1400889 WXBDWIMYVYHZBI-UHFFFAOYSA-N 241.225 2.938 0 40 BFAB COc1ccc2sc(C)cc(=O)c2c1 1571931 ROBFYROKJJECAW-UHFFFAOYSA-N 206.266 2.579 0 40 BFAB CC(=O)Nc1cc(F)cc(C(F)(F)F)c1 1706182 MELYQGUBSSAMOF-UHFFFAOYSA-N 221.153 2.803 0 40 BFAB CCOP(=O)(OCC)[C@H](N)[C@H](C)CC 1707654 WLXZADYPHWHTPD-BDAKNGLRSA-N 223.253 2.583 0 40 BFAB Cc1cccc(Nc2nnc(S)s2)c1 1735995 DRCBGFQZMQJJJL-UHFFFAOYSA-N 223.326 2.879 0 40 BFAB in-vitro FC(F)(F)c1nc2ncc(Cl)cc2[nH]1 3895715 QJYOCYOOZHULNN-UHFFFAOYSA-N 221.569 2.630 0 40 BFAB in-vitro Cn1c(-c2cncs2)nc2ccccc21 4035960 ZKSXSFRNVCEZPX-UHFFFAOYSA-N 215.281 2.697 0 40 BFAB CO[P@@]1(=O)C[C@@H]2C(Cl)(Cl)[C@]2(C)C1 5812677 QRKRKVKQGRLRPQ-MQNJHXBQSA-N 229.043 2.735 0 40 BFAB CCC(C)(C)C(=O)Nc1ccc(C)cc1N 8703509 JGECHABEBOCHLY-UHFFFAOYSA-N 220.316 2.952 0 40 BFAB Cc1cc(NC(=O)NCc2ccccc2C)no1 9256158 PZFGOTXSDYURTD-UHFFFAOYSA-N 245.282 2.613 0 40 BFAB CCOC(=O)c1ccc(Cn2c(C)ccc2C)o1 20447568 YWCAVMWPTNTZPI-UHFFFAOYSA-N 247.294 2.923 0 40 BFAB Cc1c(C)c2c(c(C)c1O)C(C)(C)CC(=O)O2 32256641 NWBXBARTRIEVKH-UHFFFAOYSA-N 234.295 2.904 0 40 BFAB Cc1cc(-c2cccc3cccnc23)nc(N)n1 32540545 WNPIYAOUGPWJKY-UHFFFAOYSA-N 236.278 2.582 0 40 BFAB C[C@@H]1CCCN(C(=O)C[C@@H]2C=CCC2)C1 32747701 PDQUUMDIZMXOOE-VXGBXAGGSA-N 207.317 2.601 0 40 BFAB Fc1ccc(CSc2ccncn2)cc1 35655325 LQTNTRYJOBSOEJ-UHFFFAOYSA-N 220.272 2.908 0 40 BFAB CCCn1nccc1NC(=O)/C=C/c1ccco1 40516383 SMIGYDKQJOAFHR-AATRIKPKSA-N 245.282 2.538 0 40 BFAB O=C(c1ccccn1)c1cc(F)ccc1F 43210490 KJNGUJBHUDOZGE-UHFFFAOYSA-N 219.190 2.591 0 40 BFAB COc1ccc(-c2ccc(OC)cc2N)c(N)c1 48024937 DIFAOKDSGBXBCT-UHFFFAOYSA-N 244.294 2.535 0 40 BFAB CC(C)[C@@H](C)NC(=O)CCc1ccccc1 57159805 IBJLEUYPFCFCPB-GFCCVEGCSA-N 219.328 2.780 0 40 BFAB CNC[C@H](OC(C)C)c1ccc(OC)c(F)c1 62711695 DNFDMKHBSVVJBP-ZDUSSCGKSA-N 241.306 2.520 0 40 BFAB Nc1c(Cl)cc(Cl)c(Cl)c1N 66153843 XZASMRJDZQLRMV-UHFFFAOYSA-N 211.479 2.811 0 40 BFAB CCc1ccc(C(=O)Nc2cccnc2C)o1 73348225 HBEKSOYWJHJZMD-UHFFFAOYSA-N 230.267 2.798 0 40 BFAB CS[C@H]1CC[C@H](Nc2nc(C)ns2)C1 78476830 HZBZAWXVXFZGFG-YUMQZZPRSA-N 229.374 2.543 0 40 BFAB COc1ccc(Cl)cc1C1([C@H](C)O)CC1 84423761 PGVPOCLDDCKRTD-QMMMGPOBSA-N 226.703 2.761 0 40 BFAB CCCOc1cc([C@@H](C)O)cc(F)c1F 95739567 ISUKTXMIVNDKTC-SSDOTTSWSA-N 216.227 2.807 0 40 BFAB COc1ccc2nc(Cl)nc(C)c2c1 95935172 WIWOJKFEOSFMKR-UHFFFAOYSA-N 208.648 2.600 0 40 BFAB S=C(Nc1cccnc1)N[C@@H]1C[C@H]2CC[C@H]1C2 103136753 ONMQNDJMGPVZQX-JBLDHEPKSA-N 247.367 2.557 0 40 BFAB CC[C@H](C)C(=O)c1ccccc1OC(C)=O 143553950 PUWKKNGOQAJEFJ-VIFPVBQESA-N 220.268 2.841 0 40 BFAB Nc1cccc(Oc2ccc(F)c(N)c2)c1 214931175 NHRCGSGSFPNRFJ-UHFFFAOYSA-N 218.231 2.782 0 40 BFAB Oc1ccc(Br)c(Cl)c1F 216178565 ODQMSVUYWCRULD-UHFFFAOYSA-N 225.444 2.947 0 40 BFAB in-vitro O[C@@H]1CCCC[C@@H]1N1CCCc2ccccc21 225110604 YYBGJBFHLQOMBN-LSDHHAIUSA-N 231.339 2.743 0 40 BFAB CN1CC[C@H]2Nc3cc(Cl)ccc3[C@H]2C1 250622553 PMOAREPQUPCMKP-GHMZBOCLSA-N 222.719 2.553 0 40 BFAB C(=C1C[C@@H]2CC[C@H](C1)N2c1ncccn1)C1CC1 1776008969 DFWFJEPUERKNRU-OKILXGFUSA-N 241.338 2.944 0 40 BFAB CCc1oc(C(=O)O)cc1CN1CCCCC1 814648 QXIHGKIFSYGCHB-UHFFFAOYSA-N 237.299 2.526 0 40 BFAB O=C(O)C[C@]1(O)CCCC[C@@H]1c1ccccc1 1632998 IYUDSTOJSKIUKS-TZMCWYRMSA-N 234.295 2.550 0 40 BFAB C[C@]12CCCC=C1N(C=O)c1ccccc12 1704917 WJKHIEDRSFIECH-CQSZACIVSA-N 213.280 2.989 0 40 BFAB Cc1c(Cl)ccc2sc(NN)nc12 2455667 QKNNCNAIIINUMQ-UHFFFAOYSA-N 213.693 2.544 0 40 BFAB CCOc1ccc(NCc2cn(C)nc2C)cc1 2536152 AEDTZILZGGADRP-UHFFFAOYSA-N 245.326 2.739 0 40 BFAB O=C(NCc1ccc(F)cc1)c1ccc(F)cc1 3093737 CJFYBDORFMDXTG-UHFFFAOYSA-N 247.244 2.895 0 40 BFAB Cc1cc(C(=O)NCc2ccc(F)cc2)c(C)o1 3415328 DNIFEAATKACLLA-UHFFFAOYSA-N 247.269 2.966 0 40 BFAB CCC[C@H](C)NC(=O)Cc1ccc(C)cc1 4681089 XOEAMEPFUZSQFQ-LBPRGKRZSA-N 219.328 2.842 0 40 BFAB Cc1cnc(NC(=O)c2cccc(F)c2)s1 4694966 WKMJOSFDUDVUAI-UHFFFAOYSA-N 236.271 2.843 0 40 BFAB CCn1c(C)cc(-c2csc(N)n2)c1C 4973360 WZPVRKLXVPDCRB-UHFFFAOYSA-N 221.329 2.831 0 40 BFAB Cc1cc(O)c(Sc2ccccc2)c(=O)o1 6556531 SZRWYWZYJHGAFX-UHFFFAOYSA-N 234.276 2.805 0 40 BFAB c1ccc(C2=N[C@H]3CCCC[C@@H]3O2)cc1 6574938 IIERPKDURDRYMZ-RYUDHWBXSA-N 201.269 2.775 0 40 BFAB CCCn1c(S)nnc1-c1cccc(C)c1 6779331 LCVWNMQBPYGNOJ-UHFFFAOYSA-N 233.340 2.952 0 40 BFAB Cc1nc2ccc(N)cc2n1-c1ccccc1 7986296 UVOUBANZZAIMEZ-UHFFFAOYSA-N 223.279 2.916 0 40 BFAB Cc1cc(O)ccc1NC(=O)c1cccc(N)c1 11737153 ANZQEXTZWDCWPA-UHFFFAOYSA-N 242.278 2.535 0 40 BFAB Cc1cccc(C(=O)C[C@H](C)CC(=O)O)c1 15441731 PKXDEXNTZYEKAT-JTQLQIEISA-N 220.268 2.679 0 40 BFAB Cc1ccc(-c2cc3cccnc3[nH]2)cn1 19215032 RYWBGIYWJKNHCO-UHFFFAOYSA-N 209.252 2.933 0 40 BFAB COc1ccc([C@H]2CN[C@H]3CCC[C@@H]32)cc1 19553965 IOHDMJKBWKLGRB-MCIONIFRSA-N 217.312 2.551 0 40 BFAB Cc1ccc(NC(=O)c2cnc(C)nc2C)cc1 19936935 WZEIIELEOKCTMF-UHFFFAOYSA-N 241.294 2.654 0 40 BFAB CCCCCNc1nc(C)c(C(=O)O)s1 20156573 HALXCLRPPJLFAF-UHFFFAOYSA-N 228.317 2.752 0 40 BFAB Fc1ccc(-c2c[nH]c([C@H]3CCCN3)n2)cc1 36874127 ALHPQZHCDUZSKY-LLVKDONJSA-N 231.274 2.640 0 40 BFAB in-vitro FC(F)COc1ccccc1CNC1CC1 37755468 CEMMFYQDEQWOJG-UHFFFAOYSA-N 227.254 2.583 0 40 BFAB Nc1cccc(-c2cnc3[nH]ccc3c2)c1 38458016 KTOWNYLGCMJVNU-UHFFFAOYSA-N 209.252 2.812 0 40 BFAB CCCNC(=O)Nc1ccc(SC)cc1 40004959 ZMHXJQAGMDNEQN-UHFFFAOYSA-N 224.329 2.940 0 40 BFAB CCC(C)(C)NC(=O)c1cccc(COC)c1 40472920 VSTHNJUFJZJAQF-UHFFFAOYSA-N 235.327 2.751 0 40 BFAB Nc1c[nH]nc1-c1ccc(Cl)c(Cl)c1 42415052 RLRVMLZCEUZJOS-UHFFFAOYSA-N 228.082 2.966 0 40 BFAB CC[C@H]1CCCCN1CC[C@@H]1CCCNC1 42783372 GNOWGXOXOZXNID-KBPBESRZSA-N 224.392 2.641 0 40 BFAB CCOC(=O)c1cc(C(F)(F)F)ccc1OC 44201071 HBXBCZCLUCECLN-UHFFFAOYSA-N 248.200 2.891 0 40 BFAB CCOC(=O)c1cc(-c2ccccc2)ccn1 71255661 RVRIWXNMSAGYAR-UHFFFAOYSA-N 227.263 2.925 0 40 BFAB C[C@H](N)COCc1ccc(C(C)(C)C)cc1 82538561 ZRBWHEIKLPBAOK-NSHDSACASA-N 221.344 2.848 0 40 BFAB Cc1ccc(C(=O)N2CCC[C@@H]3CCC[C@@H]32)cn1 89652185 ACQBUCQOLVGCQZ-JSGCOSHPSA-N 244.338 2.795 0 40 BFAB Cc1ccc(OC(F)(F)F)cc1C=O 91252050 JTYVBDVMQINBPT-UHFFFAOYSA-N 204.147 2.706 0 40 BFAB FC(F)(F)c1ccncc1NN1CCCCC1 95081587 DOUDMHZHYLDBFR-UHFFFAOYSA-N 245.248 2.913 0 40 BFAB Cc1ccc(CN2CCCC[C@H]2CCO)s1 97032533 CMAYCNUPUIVVSE-LBPRGKRZSA-N 239.384 2.793 0 40 BFAB COc1cccc2c1[C@H]1[C@H]3[C@H]4C=C[C@@H]4[C@H]2[C@H]13 101003253 YCSMNJDXPUOOSB-VPCCIYRCSA-N 210.276 2.938 0 40 BFAB CCCc1ccc(C(=O)CC(C)=O)cc1 101819217 XCUMDDQEDHKZSA-UHFFFAOYSA-N 204.269 2.801 0 40 BFAB C1CC2(C1)[C@H]1OCC[C@@H]1[C@H]2N[C@@H]1C[C@H]2CC[C@H]1C2 108165577 PBFVGRSSDIOAFR-TVDPOAAXSA-N 247.382 2.722 0 40 BFAB Cc1nc2ccc(N)cc2n1Cc1ccccc1 114225903 MKFDCPUWUIDCKD-UHFFFAOYSA-N 237.306 2.975 0 40 BFAB Cc1nsc(N2CCC(=C3CC3)CC2)n1 238872934 NIRQGCKGJYYHGP-UHFFFAOYSA-N 221.329 2.537 0 40 BFAB Cc1cc(C)c(N(C)[C@H](C)C(=O)O)c(C)c1 259656138 DTRLTMRNYYVHIT-LLVKDONJSA-N 221.300 2.521 0 40 BFAB COc1ccc2[nH]c3c(c2c1)CCC[C@H]3O 202408 RGKGREVBQIMFDJ-GFCCVEGCSA-N 217.268 2.546 0 40 BFAB CC1=N/C(=C/c2cccc(Cl)c2)C(=O)O1 1624771 PPAQRXQTAMCHKR-UXBLZVDNSA-N 221.643 2.656 0 40 BFAB CCN(CC)CCCN1C[C@H]2CC=CC[C@H]2C1 1682900 NVGQUWPDTMATND-GASCZTMLSA-N 236.403 2.616 0 40 BFAB CCCC(=O)CCN(C)Cc1ccccc1 1705695 GMINVHYGAYPZBN-UHFFFAOYSA-N 219.328 2.878 0 40 BFAB Cc1cc2c3ccc(C)[n+](C)c3ccc2n1C 1713902 MEISHZPGYQOSKH-UHFFFAOYSA-N 225.315 2.773 0 40 BFAB O=C(O)c1[nH]nc2cc(Cl)c(Cl)cc12 2547948 ZWNPONGTCXWARN-UHFFFAOYSA-N 231.038 2.568 0 40 BFAB in-vitro O=C(c1ccccc1)[C@H]1CCC[C@@H](C(=O)O)C1 2574487 LCOMXIQTOGETME-NWDGAFQWSA-N 232.279 2.760 0 40 BFAB COc1ccc(N)cc1Cc1ccccc1 3888967 MKNUDVJPNJUJTI-UHFFFAOYSA-N 213.280 2.868 0 40 BFAB O[C@H]1CCCC[C@H]1N1CC[C@@H](c2ccccc2)C1 4030713 LRWOETBLULBTDE-OAGGEKHMSA-N 245.366 2.779 0 40 BFAB CCOc1ccc(NC2=NC(=O)SC2)cc1 5686495 ROBBGIYTVCIZKX-UHFFFAOYSA-N 236.296 2.763 0 40 BFAB Nc1cccc2c(Br)cncc12 5933743 BAQIJWFGYGKBRU-UHFFFAOYSA-N 223.073 2.580 0 40 BFAB in-vitro CCC[C@H](C)C(=O)Nc1ccc(N)cc1C 8703471 CIBNYZAYZIYWJA-VIFPVBQESA-N 220.316 2.952 0 40 BFAB Nc1ccc2c(c1)ncn2C1CCCC1 9280464 HGFNINHASOPOGJ-UHFFFAOYSA-N 201.273 2.734 0 40 BFAB Cc1nc2c(c(Nc3ccccc3O)n1)CCC2 11907780 YJYQRQCOLVPWIA-UHFFFAOYSA-N 241.294 2.723 0 40 BFAB Cc1cccc([C@@H]2CCCN2CCC(=O)O)c1 12398731 LNEHZQOPLIYHFP-ZDUSSCGKSA-N 233.311 2.607 0 40 BFAB O=C1c2cc3ccccc3nc2[C@H]2CCCCN12 19376291 PIEAKLLXZINQJF-CYBMUJFWSA-N 238.290 2.916 0 40 BFAB N[C@@H](c1ccccc1)c1ccccc1F 19421174 MSFUBUYLKQNVJI-ZDUSSCGKSA-N 201.244 2.874 0 40 BFAB Cc1ccc(CNC[C@@H](O)c2ccccc2)cc1 22074957 HJGMPICSMODXFH-MRXNPFEDSA-N 241.334 2.818 0 40 BFAB O=C(c1cc2cc(F)ccc2[nH]1)N1CCCCC1 32755156 QEIBTJGNNKBDER-UHFFFAOYSA-N 246.285 2.933 0 40 BFAB Cc1ccc(C(=O)N2CCCCCCC2)cn1 32895660 VRWMOIMJWJCZJT-UHFFFAOYSA-N 232.327 2.796 0 40 BFAB Cc1c(C2=CCNCC2)c2ccccc2n1C 34612106 OVZPQWBMAPVKSU-UHFFFAOYSA-N 226.323 2.863 0 40 BFAB CNCc1cc(-c2ccc(Cl)cc2)on1 35655535 MKLONCWSYFFYEC-UHFFFAOYSA-N 222.675 2.714 0 40 BFAB COc1cc(C2(N)CCCC2)ccc1C 36906452 DUBUGFWDTOSEJF-UHFFFAOYSA-N 205.301 2.732 0 40 BFAB OCc1cccc(NCc2ccsc2)c1 37048415 FSFGAMFPPOPQHP-UHFFFAOYSA-N 219.309 2.853 0 40 BFAB FC(F)(F)c1cnc2nc(Cl)[nH]c2c1 38235242 RAKSJQSECOCJCX-UHFFFAOYSA-N 221.569 2.630 0 40 BFAB CN1CCCC[C@@H]1CCSc1nncs1 40456988 HTEHRKNSQVWKSU-SECBINFHSA-N 243.401 2.505 0 40 BFAB Fc1ccccc1OCC[C@@H]1CCCNC1 42772210 QZCSSUNDHTWAGT-NSHDSACASA-N 223.291 2.594 0 40 BFAB Fc1ccc2[nH]cc([C@@H]3CCCNC3)c2c1 44135650 DOFKTGJHTOAAJF-SECBINFHSA-N 218.275 2.774 0 40 BFAB CNC(=O)c1sc(-c2ccccc2)cc1OC 58229806 PJECFSZFAOUTAE-UHFFFAOYSA-N 247.319 2.783 0 40 BFAB COc1ccc(/C=C/c2cc(C(=O)O)no2)cc1 64875986 AIDGANYIVOYBHM-QPJJXVBHSA-N 245.234 2.552 0 40 BFAB CN(C)C(=O)c1cccc(-c2cccc(O)c2)c1 65340088 ZLGVZLIYAJQCQL-UHFFFAOYSA-N 241.290 2.761 0 40 BFAB CC(C)(N)COCc1ccccc1Cl 70836903 ZOTWSCLXYJMFIG-UHFFFAOYSA-N 213.708 2.594 0 40 BFAB Cc1nccc([C@@H]2CCCN(C3CCCC3)C2)n1 72187777 KZDIRAULYJKKAA-CYBMUJFWSA-N 245.370 2.907 0 40 BFAB CCOc1ccc([C@@H]2CCCCN2C(C)=O)cn1 72211813 RULLKNQGEFDAKU-ZDUSSCGKSA-N 248.326 2.554 0 40 BFAB CCCCN1CCC[C@H]1c1cccnc1O 72212312 AVBZBTCKGIPFPS-LBPRGKRZSA-N 220.316 2.724 0 40 BFAB CCCCN1CCCC[C@H]1c1cccnc1N 72212441 IMAPYTMCWLJGRT-ZDUSSCGKSA-N 233.359 2.991 0 40 BFAB CCC[C@H](C)c1cc(NC(=O)C2CC2)[nH]n1 78942438 AFDSKKMDIFNFGN-QMMMGPOBSA-N 221.304 2.662 0 40 BFAB CC(C)CN1CCC(NC2CCCC2)CC1 84544260 BYRDXYLSWPKUQY-UHFFFAOYSA-N 224.392 2.639 0 40 BFAB COCCC1(CN[C@H]2CCCC2(C)C)CC1 90537393 WRFKRYGJECNTNY-LBPRGKRZSA-N 225.376 2.971 0 40 BFAB C[C@H](NCCC(C)(C)O)c1ccc(F)c(F)c1 95984260 PTJXVMKXRYNXEK-VIFPVBQESA-N 243.297 2.776 0 40 BFAB CSC(C)(C)CNC(=O)Nc1ccccc1 96433608 MIGWCRDYZQZTGQ-UHFFFAOYSA-N 238.356 2.950 0 40 BFAB CC[C@@H](O)CN[C@H](C)[C@@H](C)c1ccccc1 97110028 PXEKSGOZQYXUGP-YRGRVCCFSA-N 221.344 2.539 0 40 BFAB Brc1ccccc1CC1COC1 97758288 NAMWNIBEGNYWNT-UHFFFAOYSA-N 227.101 2.638 0 40 BFAB COc1cccc2scc(C(=O)O)c12 108273537 CZQPULPIVPPBIU-UHFFFAOYSA-N 208.238 2.608 0 40 BFAB COC(=O)c1ccc(C(C)(F)F)cc1 148062036 QSTHNOGPHKDFFO-UHFFFAOYSA-N 200.184 2.585 0 40 BFAB CCOc1cccc([C@@H](C)NCCCOC)c1 151664180 AEOYCOZRIZCYCB-GFCCVEGCSA-N 237.343 2.772 0 40 BFAB FC(F)c1ncnc(NC2CC2)c1Cl 217582016 QMKYNZCCHFHVIE-UHFFFAOYSA-N 219.622 2.642 0 40 BFAB CC[C@H](C)n1cccc1CNCCCOC 223689916 NZYMBCFUECZDCQ-LBPRGKRZSA-N 224.348 2.585 0 40 BFAB C[C@H](c1ccccc1)n1ccc(CN)c1 223694179 JZHYCNWCLAXZEJ-LLVKDONJSA-N 200.285 2.556 0 40 BFAB CCOc1ccc(CCCNC(=O)C2CC2)cc1 225384450 YCXZKMFCDKEGNV-UHFFFAOYSA-N 247.338 2.544 0 40 BFAB Cc1ccc(CNC2CCCCC2)n1C 226018959 RLIZQBUZTCFXEW-UHFFFAOYSA-N 206.333 2.756 0 40 BFAB CCn1c(Cc2ccccc2)ccc1C(=O)OC 226027367 XPAKQOLGXGLJMT-UHFFFAOYSA-N 243.306 2.885 0 40 BFAB Cc1ccc([C@@H](O)c2cccc(N)c2C)cc1 226291737 PZFCVDLJFYMXQR-OAHLLOKOSA-N 227.307 2.967 0 40 BFAB CCC[C@H](O)[C@H]1CCCN[C@H]1c1ccccc1 252486986 QQUXYJDNGLNLKL-ILXRZTDVSA-N 233.355 2.888 0 40 BFAB CCn1ncc(C)c1CNCc1ccccc1 256052767 OOJZKGMUEDFJQM-UHFFFAOYSA-N 229.327 2.501 0 40 BFAB CCN1CCCC[C@@H]1c1cc(C)n2ccnc2n1 257297271 RGOGZNUROFGEEV-CYBMUJFWSA-N 244.342 2.585 0 40 BFAB Cc1nccn1CCc1ccccc1F 278145229 NLLCHIAVYCWGPZ-UHFFFAOYSA-N 204.248 2.573 0 40 BFAB CCc1[nH]c2cccc(F)c2c(=O)c1C 685938353 JDBUWMFQJGTQDF-UHFFFAOYSA-N 205.232 2.538 0 40 BFAB CN(C)Cc1nc2cccc3cccc([nH]1)c32 1607936 ZZVTWGULKUBWQL-UHFFFAOYSA-N 225.295 2.778 0 40 BFAB C[C@H]1[C@H](C)C1(c1ccccc1)C(C)(C)O 1711964 JNYXYYPXALKAQP-QWRGUYRKSA-N 204.313 2.981 0 40 BFAB c1nc(NC2CC2)c2c3c(sc2n1)CCC3 2637308 FABFPKATFPTBFE-UHFFFAOYSA-N 231.324 2.754 0 40 BFAB CC(C)CC(=O)N[C@H](C)c1ccccc1 3180090 WNIGNAWVTKGRLJ-LLVKDONJSA-N 205.301 2.910 0 40 BFAB COCCNc1nc(-c2ccccc2)cs1 4188833 NZVCXPXYRBNTIA-UHFFFAOYSA-N 234.324 2.868 0 40 BFAB Nc1cccc(Oc2cccc(N)c2)c1 5161793 LXJLFVRAWOOQDR-UHFFFAOYSA-N 200.241 2.643 0 40 BFAB in-vitro CC(C)(CO)NCc1c(Cl)cccc1Cl 5817213 OTUPSOAKDUFWMS-UHFFFAOYSA-N 248.153 2.854 0 40 BFAB Cc1nnc(SCc2ccccn2)s1 6045067 OOKIBNBJZCFXFN-UHFFFAOYSA-N 223.326 2.534 0 40 BFAB Cc1ccc2c(c1)Oc1ncccc1C(=O)N2C 6522947 TXTGKJLFUVMVAZ-UHFFFAOYSA-N 240.262 2.772 0 40 BFAB Cc1cc(CNC(=O)c2ccoc2C)ccc1F 10552054 AQXLDEYJXACILV-UHFFFAOYSA-N 247.269 2.966 0 40 BFAB Cc1cccc(-c2noc([C@@H]3CCCCN3)n2)c1 21805948 HYNYOFKMSLQLEU-LBPRGKRZSA-N 243.310 2.860 0 40 BFAB CCOC(=O)/C=C(/C)Nc1ccccc1OC 21984889 KDWLQQRXWOPXIU-KTKRTIGZSA-N 235.283 2.574 0 40 BFAB COc1ccc(C(=O)CC(C)C)cc1OC 32014206 XCKMWTCEGOJVLZ-UHFFFAOYSA-N 222.284 2.933 0 40 BFAB CC(C)NCc1cccc(OCC(F)F)c1 37755492 GRRLUTPSEINLSZ-UHFFFAOYSA-N 229.270 2.829 0 40 BFAB OCc1cc2cc(F)c(F)cc2nc1Cl 38976452 OJFSSEVPQSAJLY-UHFFFAOYSA-N 229.613 2.659 0 40 BFAB Cc1cc(C(=O)c2ccco2)ccc1F 41212460 PXERFLWPXURUHA-UHFFFAOYSA-N 204.200 2.958 0 40 BFAB C[C@H]1C[C@H]1C(=O)NCCc1cccc(Cl)c1 45601104 REHCTCPTSJTQMA-JOYOIKCWSA-N 237.730 2.655 0 40 BFAB CCNC[C@@H]1CCCN(Cc2ccccc2)C1 53654027 SXJSLWBWMPKLCP-HNNXBMFYSA-N 232.371 2.508 0 40 BFAB Clc1cnc2nc(-c3ccncc3)[nH]c2c1 57765313 KSDYOZQKILJXQB-UHFFFAOYSA-N 230.658 2.673 0 40 BFAB Oc1cc(O)cc(/C=C\c2c(O)cccc2O)c1 71624021 DQULNTWGBBNZSC-PLNGDYQASA-N 244.246 2.679 0 40 BFAB CN[C@@H](C)CCc1c[nH]c2ccccc12 72210219 JSAGZFQIHHHUQJ-JTQLQIEISA-N 202.301 2.708 0 40 BFAB CCCCN1CCC[C@@H]1c1ccc(O)nc1 72212261 MMRSFRCCQFXXCB-GFCCVEGCSA-N 220.316 2.724 0 40 BFAB CC[C@@H](O)c1ccc(N2CCCCC2)nc1 72225450 RFENRIKNUPZPFY-GFCCVEGCSA-N 220.316 2.515 0 40 BFAB O=C(c1ccc(Cl)c2cccnc12)N1CCC1 73521782 IGOQZUWDHMUYTN-UHFFFAOYSA-N 246.697 2.734 0 40 BFAB CC(C)(C)CCN[C@H]1CCCSC1 75126746 JRLSGBQZTQWXMB-JTQLQIEISA-N 201.379 2.908 0 40 BFAB CNCc1cccn1Cc1cccc(C)c1 85582999 DCJJKCGZIVBUII-UHFFFAOYSA-N 214.312 2.564 0 40 BFAB CC(=O)OCCc1cc(Cl)ccc1C 95729990 AZIURWJPIGVSSR-UHFFFAOYSA-N 212.676 2.754 0 40 BFAB CC(C)[C@@H](C)Nc1cccc(-c2nc[nH]n2)c1 97038192 QFWWHYRMPWDMNS-SNVBAGLBSA-N 230.315 2.928 0 40 BFAB O=C(Nc1ccc(O)c(Cl)c1)C(F)(F)F 97060417 PLCCFUBYVLUWPI-UHFFFAOYSA-N 239.580 2.546 0 40 BFAB COc1ccc(-n2nc(C(C)C)cc2O)cc1 102003759 QWEQGVLDHQIHOJ-UHFFFAOYSA-N 232.283 2.710 0 40 BFAB Cc1cc(O)ccc1C1=NCC(C)(C)S1 104153753 FPGFPVPJLVAUHR-UHFFFAOYSA-N 221.325 2.973 0 40 BFAB CCC(=O)c1c(Cl)cncc1Cl 199542385 WIFOOKAQPBYANZ-UHFFFAOYSA-N 204.056 2.981 0 40 BFAB CNCCCNc1ccnc2c(C)c(C)ccc12 222676573 PQPOMKSLWUECDM-UHFFFAOYSA-N 243.354 2.873 0 40 BFAB CCCN(c1ccc(CC)cc1)[C@@H](C)C(=O)O 224985318 MWLUJLQLUMURMA-NSHDSACASA-N 235.327 2.939 0 40 BFAB CCCNc1ccc(C(=O)OC(C)C)cc1N 225405759 XEEWYDLNLNJBSS-UHFFFAOYSA-N 236.315 2.656 0 40 BFAB CC(C)NC(=O)c1ccc2oc(Cl)nc2c1 225973661 SACVCJBZWQQHMH-UHFFFAOYSA-N 238.674 2.619 0 40 BFAB CCn1nc(C)cc1-c1cc(F)cc(CO)c1 665214001 JPAKWKWHVIDFMK-UHFFFAOYSA-N 234.274 2.510 0 40 BFAB Cc1ccc2nc(N3CCC(O)CC3)sc2c1 1889098048 BAFCDTDQIQOHEI-UHFFFAOYSA-N 248.351 2.566 0 40 BFAB Cc1ccccc1C(=O)Nc1ccccc1N 225972 MNZYVYKQSMHEOV-UHFFFAOYSA-N 226.279 2.830 0 40 BFAB C/C=C/C(=O)OCC(=O)c1ccc(Cl)cc1 3237728 DUWBOVPNWDDRBW-NSCUHMNNSA-N 238.670 2.642 0 40 BFAB CCCC(=O)NCCc1cccc(Cl)c1 5456411 OIUIJETUQQKYBK-UHFFFAOYSA-N 225.719 2.799 0 40 BFAB O[C@@]12CCCC[C@H]1[C@H](c1ccccc1)NCC2 5999631 NRCWMRBKHVZROJ-SOUVJXGZSA-N 231.339 2.642 0 40 BFAB biogenic Nc1cc(OC(F)F)c(Cl)cc1F 6091119 PTHNSFLXVRTKDL-UHFFFAOYSA-N 211.570 2.663 0 40 BFAB CNC(=O)c1sc(Nc2ccccc2)nc1C 6367227 KQKIYRUTYAPIFW-UHFFFAOYSA-N 247.323 2.555 0 40 BFAB COC(=O)c1cc2c(s1)CC[C@H](C)C2 6509241 WTNVEQQSDKXQNM-ZETCQYMHSA-N 210.298 2.660 0 40 BFAB Cc1ccc(OCc2cccc(C(=N)N)c2)cc1 19476496 MSBUNMCWMNVIAQ-UHFFFAOYSA-N 240.306 2.858 0 40 BFAB NCCC[C@H](c1cccs1)N1CCCC1 19674011 WCBNQXAKGVOHKR-LLVKDONJSA-N 224.373 2.624 0 40 BFAB C[C@@H](NCc1ccsc1)[C@H](O)c1ccccc1 22076635 ATELECFPJVUZCB-RISCZKNCSA-N 247.363 2.960 0 40 BFAB Cc1ccc(-n2nnc3ccccc32)cc1 34116532 CQYNWFJFBFWPEU-UHFFFAOYSA-N 209.252 2.729 0 40 BFAB CCOC(=O)c1cc(O)c2cc(C)oc2c1 34604715 FUMIJABWOZOAAU-UHFFFAOYSA-N 220.224 2.624 0 40 BFAB CCOc1c(Cl)cc(F)cc1C=O 42784090 YMQHBZMWPAQIGU-UHFFFAOYSA-N 202.612 2.690 0 40 BFAB Cc1c(F)cccc1C(=O)CCCC(=O)O 43214210 AHESMXJVZMIJGT-UHFFFAOYSA-N 224.231 2.572 0 40 BFAB CC[C@@H](C)c1cc(Br)ncn1 44119075 ZAKMNCMGHRHFNF-ZCFIWIBFSA-N 215.094 2.753 0 40 BFAB CCCNC(=O)CSCc1cccs1 44514009 KPWBCKUOEQZTTF-UHFFFAOYSA-N 229.370 2.508 0 40 BFAB CCC(=O)NCCOc1ccc2ccccc2c1 52614331 HNXWCGXYZLBEBT-UHFFFAOYSA-N 243.306 2.745 0 40 BFAB Cn1cnc(C(=N)Nc2ccc(Cl)cc2)c1 55168471 QVFHJZWYKZXHEV-UHFFFAOYSA-N 234.690 2.511 0 40 BFAB CNC[C@H](OC(C)C)c1cc(F)ccc1F 62711685 HXPHFRVIZBKGHS-LBPRGKRZSA-N 229.270 2.650 0 40 BFAB CCCc1noc(CN(CC)[C@H](C)C(C)C)n1 65298834 WAWGCFRSVXXZQW-LLVKDONJSA-N 239.363 2.889 0 40 BFAB COc1ccccc1/C=C/CNCC(C)C 67799244 JPVKWAZAIXTMLB-SOFGYWHQSA-N 219.328 2.954 0 40 BFAB CC[C@H](N)c1cnc(Br)c(C)c1 72221922 APGRPBBSXROXCU-QMMMGPOBSA-N 229.121 2.562 0 40 BFAB O=Cc1ccc2c(cnn2[C@@H]2CCCCO2)c1 79018023 IMFNYPRXCHGOJX-ZDUSSCGKSA-N 230.267 2.548 0 40 BFAB Cc1noc2cccc(Br)c12 82372944 HJTPZDBIOWXAFI-UHFFFAOYSA-N 212.046 2.899 0 40 BFAB CC(C)n1ccc(CNCc2ccccc2)n1 84225550 XLBONUSERIAKKK-UHFFFAOYSA-N 229.327 2.754 0 40 BFAB CC[C@H](C)[C@H](C)NC(=O)c1cc(C2CC2)on1 84721587 LRXYMLGLSWNQKI-IUCAKERBSA-N 236.315 2.716 0 40 BFAB CCSCC[C@@H](C)NC(=O)N1CC[C@H](C)C1 84812070 KTNAGOSFCMDXCH-WDEREUQCSA-N 244.404 2.570 0 40 BFAB CCNCc1cc(Br)c(C)s1 85393230 JNLXJQWHQPUNIV-UHFFFAOYSA-N 234.162 2.929 0 40 BFAB CC(=O)[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 95215246 PXOCBLMTJDGHKK-GHMZBOCLSA-N 241.331 2.659 0 40 BFAB in-vitro C[C@H](OC(=O)COC(C)(C)C)c1ccccn1 95465920 NQEASZDTDPPMHN-JTQLQIEISA-N 237.299 2.501 0 40 BFAB C[C@H]1O[C@@H](C)[C@H]2Cc3ccccc3[C@@H]2O1 101100000 SHWFPOIJJLMZKA-NGERZBJRSA-N 204.269 2.681 0 40 BFAB CCN(c1cccc(Cl)c1)[C@@H](C)C(=O)O 145113776 ORIMUKIVLUZOJA-QMMMGPOBSA-N 227.691 2.639 0 40 BFAB Cc1c(-c2cccc(Cl)c2)nc(N)n1C 199560210 NHKBHBPJKAFRPI-UHFFFAOYSA-N 221.691 2.631 0 40 BFAB CCOc1ccc(N[C@@H]2CCCC[C@H]2N)cc1 218860996 BYHYPGPSPNFWER-ZIAGYGMSSA-N 234.343 2.767 0 40 BFAB CCCN(c1ccc(F)cc1)[C@@H](C)C(=O)O 224987191 SJJQBVZFVYFOHA-VIFPVBQESA-N 225.263 2.515 0 40 BFAB CC(C)[C@H](N)CCN1CC[C@H]2CCCC[C@H]2C1 251322003 MLVPZLPJAZYUCD-QLFBSQMISA-N 238.419 2.872 0 40 BFAB CN1CCCC[C@@H]1CCSC[C@@H]1CCCO1 252502377 UPIPIUJGWUTVCW-OLZOCXBDSA-N 243.416 2.773 0 40 BFAB Fc1cc(Cl)cnc1OC[C@@H]1CCCOC1 585652115 WKCBYSSEGWLGOU-MRVPVSSYSA-N 245.681 2.680 0 40 BFAB NCC1(c2ccc(OC(F)(F)F)cc2)CCC1 1536067574 YDWSJDBOYLOLSX-UHFFFAOYSA-N 245.244 2.966 0 40 BFAB c1cc(-c2cnc(NC3CCCC3)nc2)ccn1 1888843289 WWNUTUNXKVKWBZ-UHFFFAOYSA-N 240.310 2.893 0 40 BFAB Cc1ncnc(N(C)Cc2ccccc2)c1F 1888856533 PFNVWJJOMBAIJZ-UHFFFAOYSA-N 231.274 2.561 0 40 BFAB COCc1cccc2ccnc(COC)c12 1613670 ZZASREORVQNUCC-UHFFFAOYSA-N 217.268 2.528 0 40 BFAB OCCN[C@H](Cc1ccccc1)[C@H]1CC=CCC1 1666269 FXGFUMWSVRDRPN-JKSUJKDBSA-N 245.366 2.536 0 40 BFAB O=C(O)[C@@H]1CCC=C[C@H]1c1ccccc1 1702418 BGIMRFYLXRKZRA-NWDGAFQWSA-N 202.253 2.821 0 40 BFAB O=C(N[C@H]1CCCCCC[C@@H]1O)c1ccccc1 1709150 DPAWCOZGSAXDJO-KBPBESRZSA-N 247.338 2.500 0 40 BFAB COc1ccccc1C(=O)c1ccccc1OC 2574591 GSNBCDKAHGNAIE-UHFFFAOYSA-N 242.274 2.935 0 40 BFAB S=C(Nc1nccs1)NC1CCCCC1 5374480 LHJQCIXRAYSBKF-UHFFFAOYSA-N 241.385 2.762 0 40 BFAB CNc1nc(-c2ccccc2OC)cs1 7844484 ZHHOXJFXQNQOSA-UHFFFAOYSA-N 220.297 2.860 0 40 BFAB c1cncc(CN2CCNc3ccccc32)c1 8699849 ITTJTLYDQNPQGB-UHFFFAOYSA-N 225.295 2.514 0 40 BFAB CC[C@H]1CCCCN1C(=O)c1cccc(N)c1C 8703653 JEHDSWRLJIRKSN-LBPRGKRZSA-N 246.354 2.982 0 40 BFAB CC(C)(C)C(=O)c1ccc2c(c1)OCCO2 11631543 DEMDJXFBKXZOGC-UHFFFAOYSA-N 220.268 2.687 0 40 BFAB C[C@H](CN)Oc1ccc(C(C)(C)C)cc1 11946362 MENFAMZDZKFXDF-SNVBAGLBSA-N 207.317 2.710 0 40 BFAB O=C1NC(=O)/C(=C/c2ccccc2Cl)S1 12407275 LODOBCLAGUEESL-YVMONPNESA-N 239.683 2.664 0 40 BFAB COc1ccc(-c2n[nH]c(SC(C)C)n2)cc1 14092772 BLNISHTWGHNPAV-UHFFFAOYSA-N 249.339 2.981 0 40 BFAB c1cc2c(cc1OCCC1CCNCC1)CCC2 14632396 OKAYEJSMRYZRTQ-UHFFFAOYSA-N 245.366 2.944 0 40 BFAB c1ccc(-n2ncc3nc4ccccc4nc32)cc1 16523973 JCDWHDCMMFCCTK-UHFFFAOYSA-N 246.273 2.969 0 40 BFAB C/C=C\C=C/C(=O)N(C)c1ccccc1 17380362 GKONHAANAMPQJK-ZRTVSTLASA-N 201.269 2.782 0 40 BFAB NCc1ccccc1CN1CCCCCCC1 20265139 AHUYSUJNCQFNES-UHFFFAOYSA-N 232.371 2.911 0 40 BFAB in-vitro Clc1nc2c(n1Cc1ccco1)CCC2 22126275 HHUYYTPTMYLJEH-UHFFFAOYSA-N 222.675 2.667 0 40 BFAB Cc1ccnc(NC(=O)c2ccsc2)c1 27648472 IKBITZQLXOKQPU-UHFFFAOYSA-N 218.281 2.704 0 40 BFAB O=C(c1ccc(F)cc1F)N1CCCCCC1 28210718 FXOAMACHCJIBQW-UHFFFAOYSA-N 239.265 2.981 0 40 BFAB Cc1ccc(N[C@H]2CCCC[C@H]2N)cc1 34061597 VCMDKOFTBSJQHR-OLZOCXBDSA-N 204.317 2.677 0 40 BFAB O=C(Nc1ccccn1)c1c[nH]c2ccccc12 35206716 GFTKJECICFCNHQ-UHFFFAOYSA-N 237.262 2.815 0 40 BFAB O=C(c1ccncc1)c1cc(F)ccc1F 36940293 QCICHYIROXZUQG-UHFFFAOYSA-N 219.190 2.591 0 40 BFAB in-vitro Cc1ccc(CNCC2(O)CCCCC2)cc1 37881778 PMMNIEOXTUENFZ-UHFFFAOYSA-N 233.355 2.780 0 40 BFAB Oc1ccccc1-c1n[nH]c(-c2cccs2)n1 38675835 MIFXOGKEOYSNOY-UHFFFAOYSA-N 243.291 2.906 0 40 BFAB CC(C)c1ccc([C@@H](CN)N2CCCC2)cc1 38827573 TWJVTFWLVAGBPQ-OAHLLOKOSA-N 232.371 2.906 0 40 BFAB Clc1ccc(NC[C@H]2CCCNC2)cc1 41245307 ACBSRUFZFPGOQI-JTQLQIEISA-N 224.735 2.752 0 40 BFAB c1cncc(-c2cc(-c3ccncc3)n[nH]2)c1 45952216 IYXGIPQFXKVLJC-UHFFFAOYSA-N 222.251 2.534 0 40 BFAB Cc1ccc(OCCN(C)C(=O)C2CCC2)cc1 52632565 KKNAIVSFGFJQRR-UHFFFAOYSA-N 247.338 2.632 0 40 BFAB Cc1cccc(C2=NC(C)(C)N=C2S)c1 67172581 GUXNCHZGLITIIE-UHFFFAOYSA-N 218.325 2.862 0 40 BFAB CSCCC(=O)c1cc(F)ccc1F 69984364 GZHSUAOLYIYHKX-UHFFFAOYSA-N 216.252 2.901 0 40 BFAB CN(C)C(=O)c1ccccc1OC1CCCC1 71895985 HYTGDYCLYQDEEQ-UHFFFAOYSA-N 233.311 2.710 0 40 BFAB CCCNc1ccc(C2=NCCCC2)cn1 72213205 ZACHZJIVWPULAJ-UHFFFAOYSA-N 217.316 2.877 0 40 BFAB COc1ccc(OC)c(C2=NCCCC2)c1 72221878 JJPGUXQQXXYJQY-UHFFFAOYSA-N 219.284 2.677 0 40 BFAB COc1ccc2cc(CN)ccc2c1Cl 72226995 UVVWFMVQOVKHCM-UHFFFAOYSA-N 221.687 2.961 0 40 BFAB COc1ccccc1CNC(=O)OC(C)(C)C 75244064 LVULKMCLYGSULP-UHFFFAOYSA-N 237.299 2.720 0 40 BFAB CNC1CCC(N(C)Cc2ccccc2)CC1 79437942 NIKPZJGGRIYLMS-UHFFFAOYSA-N 232.371 2.649 0 40 BFAB Cc1cc(NC(=O)OCC(F)(F)F)ccn1 92366342 JRLSOSFMWJUKAL-UHFFFAOYSA-N 234.177 2.501 0 40 BFAB CSC[C@H](C)N(C)Cc1cccc(O)c1 93558350 DXFGEXOAWNOMCH-JTQLQIEISA-N 225.357 2.576 0 40 BFAB CC[C@@H](N)c1ccc(OC(F)(F)F)cc1 95659588 ALSSGLWYMLSONR-SECBINFHSA-N 219.206 2.995 0 40 BFAB COc1c(C)cc([C@H](O)c2ccoc2)cc1C 95727515 SEHSAKKLDUFVNF-CYBMUJFWSA-N 232.279 2.987 0 40 BFAB COCCCCCn1nccc1-c1ccncc1 96428891 UIRGPUDYXGGRJB-UHFFFAOYSA-N 245.326 2.762 0 40 BFAB O=C1[C@@H]2CCC[C@@H]1[C@H](N1CCCCC1)CC2 101138255 RVZATTSXQJHIRB-JHJVBQTASA-N 221.344 2.620 0 40 BFAB O=C(O)c1ncc(-c2ccc(F)cc2)s1 108240987 OKRLMGXGBITIAE-UHFFFAOYSA-N 223.228 2.647 0 40 BFAB Nc1ccc2cc(C(F)(F)F)[nH]c2c1 108270582 SRXUTUQRJCNCOZ-UHFFFAOYSA-N 200.163 2.769 0 40 BFAB in-vitro Fc1cccc(-c2n[nH]c3c2[C@@H]2CC[C@@H](C3)N2)c1 110751206 BRQQYIVRYHCCQP-QWRGUYRKSA-N 243.285 2.565 0 40 BFAB COc1ccc(OCc2ccccn2)cc1F 120203282 XJSOHEHOHVPJAX-UHFFFAOYSA-N 233.242 2.808 0 40 BFAB CCC(=O)c1nc2ccccc2n1CC 148374133 UBJOEGGLZJONJC-UHFFFAOYSA-N 202.257 2.649 0 40 BFAB CCCCCNCc1ccn(C(F)F)n1 256051217 IGAWYAPGJYEJDN-UHFFFAOYSA-N 217.263 2.558 0 40 BFAB C[C@@H](CF)NCc1ccsc1Cl 308072019 CETSTYOEETWVBX-LURJTMIESA-N 207.701 2.849 0 40 BFAB COC(=O)C1(c2c(C)cccc2C)CC1 685937186 LRONJHUWZFJCEA-UHFFFAOYSA-N 204.269 2.508 0 40 BFAB COc1cccc2c(CO)cc(C3CC3)nc12 685937586 SKZSEDBPZOOCFE-UHFFFAOYSA-N 229.279 2.613 0 40 BFAB Oc1ccccc1OCC(F)(F)C(F)(F)F 1083809792 JMBWXOQYNIQQGW-UHFFFAOYSA-N 242.143 2.969 0 40 BFAB CC(=O)CCc1ccc2c(c1)N[C@H](C)CC2 3844778 OGXFQVAAAKDQJP-SNVBAGLBSA-N 217.312 2.955 0 40 BFAB biogenic CC/C=C\C[C@H]1C(=O)CC[C@H]1CC(=O)OC 4975327 GEWDNTWNSAZUDX-NRFYAWERSA-N 224.300 2.501 0 40 BFAB in-vitro CC1=N/C(=C\c2ccc(Cl)cc2)C(=O)O1 5191905 NWYIDAQFRYQRFT-POHAHGRESA-N 221.643 2.656 0 40 BFAB COC(=O)c1ccc(-n2cccc2)cc1Cl 7274630 DQASRULSFAKRPY-UHFFFAOYSA-N 235.670 2.917 0 40 BFAB CCOc1ccc2c(c1)c(CCN)cn2CC 9422228 IPQNMEVEUZDQHH-UHFFFAOYSA-N 232.327 2.561 0 40 BFAB C[C@H]1CCC[C@@H](C)N1C(=O)c1cccc(N)c1 12410534 AUTUHEFLBFXENV-PHIMTYICSA-N 232.327 2.672 0 40 BFAB Cc1cccnc1NC(=O)c1cc(Cl)ccn1 12537169 ZYDCXGLNQMAYLN-UHFFFAOYSA-N 247.685 2.691 0 40 BFAB C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCSc2ccccc21 12905496 UFXJEABLPVHYGD-YUSALJHKSA-N 247.363 2.996 0 40 BFAB Cc1ccc(C(=O)N[C@@H](C)C2CC2)c(C)c1 12906926 DPOZHCWKMHTTBL-NSHDSACASA-N 217.312 2.832 0 40 BFAB O=[N+]1C2=C(CCCC2)N(O)C12CCCC2 13116470 DQKLTVXNGAVLEA-UHFFFAOYSA-N 209.269 2.526 0 40 BFAB CCCOc1ccc([C@H](C)NCCOC)cc1 19881634 LMHLGHVFTHVUMF-LBPRGKRZSA-N 237.343 2.772 0 40 BFAB Nc1cc(NC(=O)c2ccc(F)cc2)ccc1F 21959853 WVWIUTBFJPCXTP-UHFFFAOYSA-N 248.232 2.799 0 40 BFAB Cc1cc(COc2cccc3c2CCC3=O)on1 25829233 ABOMAECTKWKINK-UHFFFAOYSA-N 243.262 2.691 0 40 BFAB FC(F)(F)c1nc(-c2ccc(Cl)nc2)no1 26422632 YCZNZYRQOVINBE-UHFFFAOYSA-N 249.579 2.804 0 40 BFAB c1ccc(SC[C@H]2CCCNC2)cc1 29040443 HHPWABHMEOWNCO-NSHDSACASA-N 207.342 2.778 0 40 BFAB C[C@H](NC(=O)[C@H]1C[C@@H]1C)c1ccccc1F 32983397 XNYJBCQPDXPRNK-QXEWZRGKSA-N 221.275 2.659 0 40 BFAB CC[C@@H](C)NC(=O)Cc1c[nH]c2ccccc12 35128103 RJIJGVXTOUCJNA-SNVBAGLBSA-N 230.311 2.625 0 40 BFAB O=C(C[C@H]1C=CCC1)NCCc1cccc(F)c1 36392856 NBTLIIJKDQLLMA-LBPRGKRZSA-N 247.313 2.841 0 40 BFAB c1coc(CNc2ncnc3sccc23)c1 36803804 QKNXTDBXANREEA-UHFFFAOYSA-N 231.280 2.896 0 40 BFAB O=C(O)c1c[nH]cc1-c1ccc(F)cc1 37245360 ZIVPFZMWENLWSN-UHFFFAOYSA-N 205.188 2.519 0 40 BFAB in-vitro CC(C)N(C(=O)CN(C)c1ccccc1)C(C)C 40161797 IVYAAEOOKNYOPG-UHFFFAOYSA-N 248.370 2.768 0 40 BFAB O=C(NCc1ccc2ccccc2c1)C1CC1 45201193 BRDJGVIQYJBMDD-UHFFFAOYSA-N 225.291 2.866 0 40 BFAB Cc1ccc(CN(C)C[C@@H]2CCCO2)cc1 48343709 PMXSRURRTRHHQE-AWEZNQCLSA-N 219.328 2.606 0 40 BFAB CCCCNC(=O)Nc1ccnn1CCCC 49129365 ULASQAGRBMFIES-UHFFFAOYSA-N 238.335 2.605 0 40 BFAB CC(C)CCC(=O)NCCc1ccc(F)cc1 49935908 KULNPYVSXVYMSG-UHFFFAOYSA-N 237.318 2.921 0 40 BFAB CNC[C@H](OC(C)C)c1ccc(C)cc1 50483482 YKOIVKYDWNIMOX-ZDUSSCGKSA-N 207.317 2.681 0 40 BFAB CC(=O)Oc1c(C(=O)O)cc(C)c(C)c1Cl 57340087 CMCJNCTVXZWGBV-UHFFFAOYSA-N 242.658 2.580 0 40 BFAB Cc1ccccc1CN1CCC[C@@](C)(C(=O)O)C1 62876672 QDUIEJIDJWGTIP-OAHLLOKOSA-N 247.338 2.682 0 40 BFAB CCCN[C@@H]1C[C@H](OCC)C12CCCC2 68577385 PXXQEHOZPYIFER-NEPJUHHUSA-N 211.349 2.724 0 40 BFAB in-vitro Cn1c([C@H]2CCCN2)cc2ccccc21 71477553 ORVOELVZVAOVQY-LLVKDONJSA-N 200.285 2.603 0 40 BFAB CN(C(=O)Nc1cccnc1)c1ccccc1 74753459 MTGNECOFORYHQA-UHFFFAOYSA-N 227.267 2.750 0 40 BFAB Cc1ccc(NC(=O)[C@H]2CCCN(C)C2)cc1C 82322780 WDHJBSKPWOYCGA-ZDUSSCGKSA-N 246.354 2.584 0 40 BFAB Clc1cccnc1N1CCCSCC1 88701258 IAIBZBHRZDBKTP-UHFFFAOYSA-N 228.748 2.678 0 40 BFAB C[C@@H]1C[C@@H](N[C@@H]2C=C[C@H](CO)C2)CC(C)(C)C1 89920168 ZULKVVQKRQNOIE-XJFOESAGSA-N 237.387 2.728 0 40 BFAB CCCCOc1cc([C@@H](C)O)ccc1OC 90213396 GQZUFXPFICWUDX-SNVBAGLBSA-N 224.300 2.927 0 40 BFAB CCC[C@@H]1SCCN1C(=O)C1CC=CC1 95400190 UPKYSJHYKBDBAQ-NSHDSACASA-N 225.357 2.654 0 40 BFAB COC(=O)c1ccc2cnc(Cl)cc2c1 95631026 AKHJPIMMDUTXAC-UHFFFAOYSA-N 221.643 2.675 0 40 BFAB in-vitro Cc1nc(COC(=O)c2ccoc2)sc1C 96442714 FGYZRWZYBGJUPE-UHFFFAOYSA-N 237.280 2.710 0 40 BFAB CC(C)(C)[C@H]1CCc2ncc(O)cc2C1 96510559 DSNLBPKTROMURY-JTQLQIEISA-N 205.301 2.938 0 40 BFAB Cc1cc(Cn2ccnc2-c2cccs2)no1 97037359 AYNSDHWMTXATJL-UHFFFAOYSA-N 245.307 2.956 0 40 BFAB Fc1ccc2c(c1)CC1(CCOCC1)CN2 98214096 IBTUGWLNMISBLR-UHFFFAOYSA-N 221.275 2.591 0 40 BFAB O=C(NCCc1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2 102065384 YIFVFWQJUWDRFL-KKUMJFAQSA-N 243.350 2.782 0 40 BFAB Cn1c(S)nnc1-c1ccc(F)cc1Cl 116937270 QURVJCJEHCHWFH-UHFFFAOYSA-N 243.694 2.563 0 40 BFAB CCNC(=S)Nc1cccc2ncccc12 135775270 AMLQMZHAGLBUOK-UHFFFAOYSA-N 231.324 2.541 0 40 BFAB O=C1Nc2ccccc2/C1=C/C1=CC=CC1 200837885 HLMZJMLFFVLRPV-XFXZXTDPSA-N 209.248 2.908 0 40 BFAB Cc1ccc(-n2ccc(Br)n2)cc1 216587747 JVUZCMYYSHBLMZ-UHFFFAOYSA-N 237.100 2.943 0 40 BFAB N[C@@H]1CCCC[C@H]1Nc1ccc(F)cc1 218682474 ZXAQXCHNOQYJHK-VXGBXAGGSA-N 208.280 2.508 0 40 BFAB CCCCC[C@H]1CCC(=O)[C@@H]1CC(=O)O 299817291 RRXVPZAFZHEESZ-VHSXEESVSA-N 212.289 2.637 0 40 BFAB in-vitro C[C@H]1CC(F)(F)CCN1c1ncncc1Cl 624637608 SFWHRMKSZGHJLB-ZETCQYMHSA-N 247.676 2.754 0 40 BFAB CCN(Cc1ccccc1)C(=O)c1cccnc1 29327 AVLSXVXFIZFMNL-UHFFFAOYSA-N 240.306 2.744 0 40 BFAB CCS(=O)(=O)Nc1ccc2ccccc2c1 362890 QQFCNPAZEFLCMV-UHFFFAOYSA-N 235.308 2.601 0 40 BFAB CC(=O)n1c2ccccc2c2[nH]c(=S)[nH]c21 1512234 RBFXSCBDKXKXJF-UHFFFAOYSA-N 231.280 2.840 0 40 BFAB C=CC(=O)OCCOC[C@H](CC)CCCC 1608925 NZAZOEQPICNQIB-GFCCVEGCSA-N 228.332 2.949 0 40 BFAB CC(=O)Nc1cc(Cl)cc(Cl)c1O 1636564 LLEDDIDLLAPZNE-UHFFFAOYSA-N 220.055 2.657 0 40 BFAB O=C(NC1CC1)C1(c2ccccc2)CCCC1 2512589 XBOGLIQADCCLJK-UHFFFAOYSA-N 229.323 2.777 0 40 BFAB O=C(Nc1ccc2cn[nH]c2c1)c1ccccc1 5323492 TUWICOFKUUWVIT-UHFFFAOYSA-N 237.262 2.815 0 40 BFAB CC(C)N[C@H](O)COc1cccc2ccccc12 5381515 XDPXEKYDDUVROO-OAHLLOKOSA-N 245.322 2.535 0 40 BFAB CSc1nnc(/C=C/c2ccccc2)o1 6182785 QOLJMFLTKXZKIA-BQYQJAHWSA-N 218.281 2.962 0 40 BFAB COc1cccc(C(=O)c2cccs2)c1 11631616 PQZSHFPAVJVGKE-UHFFFAOYSA-N 218.277 2.988 0 40 BFAB CC[C@H](Oc1ccc(F)c(Cl)c1)C(=O)O 13609224 JXJJBRDRYGYHOY-VIFPVBQESA-N 232.638 2.721 0 40 BFAB Cc1oc(C(C)C)c(CN2CCOCC2)c1C 13610658 JATBBKIYYJUHRO-UHFFFAOYSA-N 237.343 2.852 0 40 BFAB C[C@H]1CCC[C@H](NC(=O)Cc2ccccc2N)C1 20155736 CHHGVEURRGZHLA-AAEUAGOBSA-N 246.354 2.506 0 40 BFAB Cc1nn(-c2ccccc2)c2c1C(=O)C[C@@H](C)C2 20632714 YERJECWYTVBFKF-JTQLQIEISA-N 240.306 2.946 0 40 BFAB Cc1ccc(-n2cccc2CN)c(C)c1 23993759 HSWHECCYWMDXLW-UHFFFAOYSA-N 200.285 2.553 0 40 BFAB CCN(CC)Cc1cnn(-c2ccccc2)c1 40024168 ZQJWTAIMYCCMAA-UHFFFAOYSA-N 229.327 2.714 0 40 BFAB CC(C)=CC(=O)N[C@H](C)c1cccs1 40459864 MPLOQPUUHGIEMN-SECBINFHSA-N 209.314 2.892 0 40 BFAB O=C(C[C@H]1C=CCC1)NCc1cccc(F)c1 40498518 AKSAALJGBRMXNX-NSHDSACASA-N 233.286 2.798 0 40 BFAB O=C(C[C@@H]1C=CCC1)NC(C1CC1)C1CC1 42025397 BTBYAVMXDACUEW-SNVBAGLBSA-N 219.328 2.648 0 40 BFAB CC[C@@H](C)C(=O)NC[C@@H](OC)c1ccccc1 42751157 PTKOUHHFMXRAAI-DGCLKSJQSA-N 235.327 2.536 0 40 BFAB COCc1ccc(C(=O)N2CCC(C)CC2)cc1 44513134 SVLONXIMFSWVHM-UHFFFAOYSA-N 247.338 2.705 0 40 BFAB Cc1ccc(CNCCC(=O)OC(C)(C)C)cc1 47218991 MRAAIAGDDCDOMM-UHFFFAOYSA-N 249.354 2.816 0 40 BFAB CCCC(=O)Nc1cccc(/C=C/C(=O)O)c1 49591944 UBTMZCQYDGNFMC-BQYQJAHWSA-N 233.267 2.523 0 40 BFAB O=C(C1CC1)N1CCC[C@@H]1c1ccc(F)cc1 55531778 RTTHNYWLUQCFHT-CYBMUJFWSA-N 233.286 2.899 0 40 BFAB Cn1c([C@@H](N)c2ccccc2)nc2ccccc21 57217490 DOEVDPVYKHFOHK-AWEZNQCLSA-N 237.306 2.621 0 40 BFAB Cc1cc(CNC(=O)OC(C)(C)C)cc(C)n1 72206899 JUFUXUHDYOLSIZ-UHFFFAOYSA-N 236.315 2.723 0 40 BFAB C[C@@H]1CC[C@@H](C)N(CCc2ccccn2)C1 76150552 ZUZIVYUHJKOJJC-CHWSQXEVSA-N 218.344 2.745 0 40 BFAB CCc1cnc(CCNc2ccccn2)s1 78513409 AXHBSCILVXWPPJ-UHFFFAOYSA-N 233.340 2.755 0 40 BFAB Nc1ccc2[nH]ccc2c1Br 82373792 SWHSDPBTUKCMCJ-UHFFFAOYSA-N 211.062 2.513 0 40 BFAB NC1(Cc2cccc(C(F)(F)F)c2)CC1 84056017 MUENMXMCXVAKPO-UHFFFAOYSA-N 215.218 2.739 0 40 BFAB CCc1ccnc(NC(=O)OC(C)(C)C)c1 89229027 LIMADXWXAXPCLI-UHFFFAOYSA-N 222.288 2.991 0 40 BFAB Cc1cc(C)c(Br)nc1C 95080151 NYNUMXQYOLVYNK-UHFFFAOYSA-N 200.079 2.769 0 40 BFAB OCc1cc2ccc(Br)cc2o1 95626860 SYECKXDQCBDFFX-UHFFFAOYSA-N 227.057 2.688 0 40 BFAB Fc1cnc(Br)cc1OC(F)F 95704957 WBRZLZRCHCFZEW-UHFFFAOYSA-N 241.994 2.585 0 40 BFAB COc1ccc(NC(=O)c2occc2C)c(C)n1 96470593 ZXWUPNUBUAEONA-UHFFFAOYSA-N 246.266 2.552 0 40 BFAB COC[C@H](NC[C@H]1CCCCO1)c1ccccc1 96491351 VVAMPJACESOZFF-CABCVRRESA-N 249.354 2.533 0 40 BFAB c1c[nH]c(SCc2noc3c2CCCC3)n1 98013839 WEMKPPACHOTATG-UHFFFAOYSA-N 235.312 2.569 0 40 BFAB Fc1ccc2c(Cl)ncnc2c1F 98209842 UEPYIHBJTMLTEF-UHFFFAOYSA-N 200.575 2.561 0 40 BFAB COc1cc(CN2CCCC3(CC3)C2)ccc1O 194995798 ZMQPEJSLBMBNIR-UHFFFAOYSA-N 247.338 2.777 0 40 BFAB Nc1cc(-c2cccc(OC(F)(F)F)c2)[nH]n1 199792548 CIUDAARPGVJWLG-UHFFFAOYSA-N 243.188 2.558 0 40 BFAB N[C@@H]1CN(c2ccccc2)[C@@H]1c1ccccc1 224239419 VVQBLBPWBQUFOS-HUUCEWRRSA-N 224.307 2.575 0 40 BFAB CCc1ccc(N(CC)[C@@H](C)C(=O)O)cc1 224985136 YEGBTEYWVROWCW-JTQLQIEISA-N 221.300 2.548 0 40 BFAB CCCc1nnc(CCC)n1-n1c(C)ccc1C 225150293 HSXUWLZKMVPZOG-UHFFFAOYSA-N 246.358 2.913 0 40 BFAB CC[C@@H](C)n1ccc(NCc2cn(C)nc2C)n1 256054492 WNZJWCCDGCHSHH-SNVBAGLBSA-N 247.346 2.508 0 40 BFAB CC[C@H](C)Nc1cccc(N2CCOCC2)c1 538527982 LDITXQMIRXODLS-LBPRGKRZSA-N 234.343 2.734 0 40 BFAB COC(=O)[C@H]1C[C@@H]1c1cc(C)ccc1C 1857793778 OGGDPOQPNXBRPN-NEPJUHHUSA-N 204.269 2.580 0 40 BFAB CC(=O)c1cnn(-c2cccc(C)c2)c1C 142471 AVKHPBGALSNCIL-UHFFFAOYSA-N 214.268 2.692 0 40 BFAB O=C(Sc1ccccn1)c1ccco1 277758 PFVIBJCHVPWZCN-UHFFFAOYSA-N 205.238 2.607 0 40 BFAB Cn1ncc2nc3ccccc3c(Cl)c21 347153 XQNZPPPTJAXLLT-UHFFFAOYSA-N 217.659 2.775 0 40 BFAB COc1ccccc1C[C@@H](N)c1ccccc1 1668277 XNLHJPFLVKFDHX-CQSZACIVSA-N 227.307 2.938 0 40 BFAB COc1ccc([C@@H]2OCC[C@@H](C)O2)cc1OC 1677008 MSPASFGBWTVGSN-NOZJJQNGSA-N 238.283 2.528 0 40 BFAB C[C@@](O)(c1ccccc1)[C@@H](O)c1ccccc1 1720247 KVDNJQJZESZZST-LSDHHAIUSA-N 228.291 2.628 0 40 BFAB in-vitro CCc1ccccc1C(=O)[C@H]1CCC[C@H]1C(=O)O 2245618 MYSXYDPFDGUBOD-QWHCGFSZSA-N 246.306 2.933 0 40 BFAB FC(F)(F)c1ccc(NC2CCNCC2)cc1 4245564 BYQLBAFAFQPRPU-UHFFFAOYSA-N 244.260 2.869 0 40 BFAB CCOC(=O)c1cc(CN)oc1-c1ccccc1 4344086 MPDZMTFUAZIEEK-UHFFFAOYSA-N 245.278 2.582 0 40 BFAB CCCC[C@@H](CC)CNC(=O)CCCC(=O)O 4784101 XWMLZVVZTMWKSC-LLVKDONJSA-N 243.347 2.574 0 40 BFAB C[C@@H]1CN1C(=O)Nc1cccc(Cl)c1 6437897 SINSKRXWZHNCEX-KMPCPTCDSA-N 210.664 2.576 0 40 BFAB CC[C@@H](Nc1ccccc1Cl)C(=O)O 8730611 ZJEIYEZMOLJSPL-MRVPVSSYSA-N 213.664 2.615 0 40 BFAB CCCCc1c(O)[nH]c2ccccc2c1=O 8772688 ICDTXYOXZYXZKA-UHFFFAOYSA-N 217.268 2.576 0 40 BFAB biogenic CCCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 13570987 QVHREGCCQVAGBY-UHFFFAOYSA-N 248.351 2.816 0 40 BFAB CN1C(=O)c2ccccc2N[C@H]1c1cccs1 15249057 IAXUVCUJUIHWNA-GFCCVEGCSA-N 244.319 2.944 0 40 BFAB Fc1ccc(CCNCc2ccccn2)cc1 19904196 VJFCVAVTPQKFFO-UHFFFAOYSA-N 230.286 2.553 0 40 BFAB Cc1cc(N)c(NC(=O)c2ccco2)cc1C 20157600 RXFSUHZLOPWNSX-UHFFFAOYSA-N 230.267 2.731 0 40 BFAB Cc1nc(N)sc1Cc1ccccc1 20380923 GBLYPAAOJUDNKU-UHFFFAOYSA-N 204.298 2.625 0 40 BFAB in-vitro CC(C)c1nnc(NC(=O)c2ccoc2)s1 26573419 UDCZWKBHIPBXJH-UHFFFAOYSA-N 237.284 2.507 0 40 BFAB Cc1nc2c(ccc3sc(C)[n+](C)c32)s1 27987870 DSOAHFGKZHKHAQ-UHFFFAOYSA-N 235.357 2.952 0 40 BFAB COc1ccc(-c2ccc(C(=O)O)c(N)c2)cc1 36294193 ZSXWYUBHMYUJRM-UHFFFAOYSA-N 243.262 2.643 0 40 BFAB Nc1cccc(OCCOCc2ccccc2)c1 37114563 XVIVYZYILVBMAW-UHFFFAOYSA-N 243.306 2.864 0 40 BFAB COc1ccc([C@H](O)c2ccsc2)cc1 37464983 IQZGOXGIPIDPKC-LBPRGKRZSA-N 220.293 2.838 0 40 BFAB O=C(O)CCc1cc(C(F)(F)F)ccc1F 38529599 AGDPEKNRXANVOW-UHFFFAOYSA-N 236.164 2.862 0 40 BFAB CC(C)CSc1nnc(-c2cccnc2)o1 40456934 WFOLUOUJODRXGR-UHFFFAOYSA-N 235.312 2.880 0 40 BFAB CC[C@@H](N)c1nc(C(F)(F)F)cs1 41059275 GOHBNIVEIOVCMD-SCSAIBSYSA-N 210.224 2.572 0 40 BFAB in-vitro COc1ccccc1C[C@H]1CCCCC1=O 41231266 GCSGSBFMZMOGEO-LLVKDONJSA-N 218.296 2.997 0 40 BFAB C[C@@H](O)Cc1c(Cl)cccc1Cl 44266652 IBZNHQGQLNNWPH-ZCFIWIBFSA-N 205.084 2.917 0 40 BFAB in-vitro C[C@H](CC(C)(C)OC(N)=O)c1ccc(O)cc1 44563938 JGJGSCPOAJVDOF-SECBINFHSA-N 237.299 2.760 0 40 BFAB CCCN(CCC)C(=O)c1cn2ccccc2n1 52931047 HISRGJUSEZRPNO-UHFFFAOYSA-N 245.326 2.597 0 40 BFAB Cc1noc(C)c1CN1CCC[C@@H](C)C1 58874436 FXLUKBYNBZOQKP-SECBINFHSA-N 208.305 2.523 0 40 BFAB CC(C)(C)C(=O)COc1ncnc2ccccc12 66275824 NVKPFFMKNZUOEY-UHFFFAOYSA-N 244.294 2.624 0 40 BFAB O=C(O)C1=CC[C@@H](c2ccccc2)CC1 71508380 YRZUQRSZZQQEBL-LLVKDONJSA-N 202.253 2.965 0 40 BFAB CCCCNc1ccc(C2=NCCC2)cn1 72213639 XVFKMKDULRKSFU-UHFFFAOYSA-N 217.316 2.877 0 40 BFAB C[C@@H](N)c1ccc(N(C)c2ccccc2)nc1 72225329 FUMNBZMEXDYIER-LLVKDONJSA-N 227.311 2.869 0 40 BFAB O=C(c1ccoc1)N1C[C@H]2CCCC[C@H]2C1 89885121 CCODRBOBKCJIRQ-PHIMTYICSA-N 219.284 2.542 0 40 BFAB COc1c(C)cccc1CNC(C)(C)C 95094796 VSZLGMLZNIYECC-UHFFFAOYSA-N 207.317 2.892 0 40 BFAB C[C@H](NC(=O)N[C@@H](C)C1CCC1)c1ccco1 95440214 XMSRJQXUOSFDPE-UWVGGRQHSA-N 236.315 2.828 0 40 BFAB Cc1ccc(C(=O)C[C@@H](C)CC(=O)O)cc1F 95634329 GTGCINOILOOXOE-MRVPVSSYSA-N 238.258 2.818 0 40 BFAB O=C(c1ccc(F)cc1)C(F)(F)Cl 95917063 KRQCKYOFJNCNCE-UHFFFAOYSA-N 208.566 2.840 0 40 BFAB CCOc1cc(Cl)c(O)c(C(C)=O)c1 96287941 UQVLBWAKZYHNCR-UHFFFAOYSA-N 214.648 2.647 0 40 BFAB CC[C@H]1C(=O)N(c2ccc(C)cc2)N=C1C 103316149 CSWKRPDFXPKSRN-GFCCVEGCSA-N 216.284 2.744 0 40 BFAB CCCC(=O)[C@@H](C)C(=O)c1cccs1 104716681 SRDDIXRFJWSDIL-MRVPVSSYSA-N 210.298 2.936 0 40 BFAB CCCOCc1ccnn1CCC(F)(F)F 408716011 HXFRWODMFQLJBB-UHFFFAOYSA-N 236.237 2.762 0 40 BFAB CC(C)n1cc(Cl)c(COCC(F)F)n1 408717411 ZRTDYOKUZFJZNR-UHFFFAOYSA-N 238.665 2.899 0 40 BFAB CC(C)(C)c1ccc(-c2nnc(N)o2)cc1 104381 OISTTWCWVFSFNE-UHFFFAOYSA-N 217.272 2.616 0 40 BFAB O=C(OCc1cncs1)c1cccs1 1403717 VAIKSSYHFGBOFE-UHFFFAOYSA-N 225.294 2.562 0 40 BFAB CSC(=S)N(C=O)c1ccc(Cl)cc1 1447151 JKZIROFTWDQYHR-UHFFFAOYSA-N 245.756 2.951 0 40 BFAB CCOC(=O)Nc1cc(F)ccc1F 1682748 NTRIBXGEERCDGP-UHFFFAOYSA-N 201.172 2.533 0 40 BFAB CC1(C)C[C@H]2C[C@@H](CC(C)(C)C2=O)C1=O 1851269 TZEDBMOSQPTRPQ-DTORHVGOSA-N 208.301 2.607 0 40 BFAB Cn1cc([C@H]2CCCN2)c2ccccc21 1999165 MHUGNQWXLUJVNZ-GFCCVEGCSA-N 200.285 2.603 0 40 BFAB O=C(O)CCC(=O)c1ccc(C(F)(F)F)cc1 2579914 XBTRBFQQDDYMFC-UHFFFAOYSA-N 246.184 2.753 0 40 BFAB CC(C)CCOCCNCCOCCC(C)C 5843062 GEIZQXWNCDRDGB-UHFFFAOYSA-N 245.407 2.701 0 40 BFAB O=C(O)c1cc([N+](=O)[O-])ccc1-c1ccccc1 6116753 FNHCGDVQGIEGRQ-UHFFFAOYSA-N 243.218 2.960 0 40 BFAB Cc1nc2ccc(NC(=O)c3ccoc3)cc2o1 12890209 MBKOUUPJLQBPDG-UHFFFAOYSA-N 242.234 2.982 0 40 BFAB COC(=O)c1oc2ccc(C)cc2c1C 16737400 CBRBQHZHOYCFFR-UHFFFAOYSA-N 204.225 2.836 0 40 BFAB CN(C)CCNc1ccnc2cc(Cl)ccc12 17118024 YFSUTRPECZEFJM-UHFFFAOYSA-N 249.745 2.862 0 40 BFAB Cc1ccc(C(=O)Nc2ccccc2F)cc1N 19256923 UBVZGONTHHOAMN-UHFFFAOYSA-N 244.269 2.969 0 40 BFAB CN(C)CCNCc1cccc(Cl)c1Cl 19481943 LACBMRGGBAWVQG-UHFFFAOYSA-N 247.169 2.645 0 40 BFAB Cn1nc(-c2ccccc2)c2c1CCCC2=O 20153926 QAYWIJJROFFVHN-UHFFFAOYSA-N 226.279 2.606 0 40 BFAB NCc1cccn1-c1cccc(Cl)c1 23993765 BODHVQRHWVXTQV-UHFFFAOYSA-N 206.676 2.589 0 40 BFAB CC(C)CCNC(=O)c1ccc(F)cc1F 28210730 IKHHCKVDWVNVEX-UHFFFAOYSA-N 227.254 2.741 0 40 BFAB CCC(=O)N1CCC[C@@H]1c1cccs1 40459873 XEQQGHDKJMVJLT-SECBINFHSA-N 209.314 2.822 0 40 BFAB CN(Cc1ccccc1)c1cncc(Cl)n1 42783562 BALCWIMZLMCMPT-UHFFFAOYSA-N 233.702 2.766 0 40 BFAB O=C(CCc1ccccc1Cl)N1CCCC1 44866916 BTEFCCJOJBJYQX-UHFFFAOYSA-N 237.730 2.895 0 40 BFAB Cc1cccc(CCNC(=O)C2CCCC2)c1 58329595 ZWXPZCDVGUIMIN-UHFFFAOYSA-N 231.339 2.844 0 40 BFAB Cc1ccc(-c2cc(N)on2)cc1Cl 63022120 IQZMUPBISHAPLF-UHFFFAOYSA-N 208.648 2.886 0 40 BFAB COCCCN1CC[C@@H](c2ccccc2)C1 69741747 NEKNHBBELKHPJC-CQSZACIVSA-N 219.328 2.512 0 40 BFAB CCC(C)(C)C(=O)NCC1(O)CCCCCC1 71914426 IFKPOAHFFQJKMU-UHFFFAOYSA-N 241.375 2.624 0 40 BFAB CC(C)CNc1ccc([C@H]2CCCCN2)cn1 72213327 IXTOBADONOGDJO-CYBMUJFWSA-N 233.359 2.964 0 40 BFAB CCSc1ccc([C@H]2CCCN2C)cn1 72217107 DSJLMKGUDSTHKA-LLVKDONJSA-N 222.357 2.960 0 40 BFAB CCOc1cc(N)ccc1NC(=O)CC(C)C 73638393 UDZGAXYOFWWRQT-UHFFFAOYSA-N 236.315 2.652 0 40 BFAB Cn1c(CCc2ccccc2)ccc1C(=O)O 75154051 FPIIFEFFWQJTNC-UHFFFAOYSA-N 229.279 2.509 0 40 BFAB CCC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 82596443 GSHGGKHZRKLLIL-UHFFFAOYSA-N 217.268 2.509 0 40 BFAB C[C@H]1CCCCC[C@H]1Nc1ncccn1 83949618 ULKLEJFHKDMDOU-WDEREUQCSA-N 205.305 2.857 0 40 BFAB O=Cc1ncc(Cl)cc1C(F)(F)F 85223698 RVWJCAMEXVEXOV-UHFFFAOYSA-N 209.554 2.566 0 40 BFAB COC(=O)CCSc1cc(Cl)ccc1N 86479697 TXXGKWBPHLIALM-UHFFFAOYSA-N 245.731 2.577 0 40 BFAB CC(C)(C)OC(=O)Nc1c(F)cccc1C=O 90669380 OGTSMYJQTZJPRZ-UHFFFAOYSA-N 239.246 2.985 0 40 BFAB Cc1cc(CNC2(c3ccccc3F)CC2)no1 95985306 NVERBHYQIGXORZ-UHFFFAOYSA-N 246.285 2.901 0 40 BFAB Cc1nnc(CSCc2csc(C)n2)o1 96467842 AYLRSRMDGNUGKQ-UHFFFAOYSA-N 241.341 2.576 0 40 BFAB COC[C@H](NCC(F)(F)F)c1ccccc1 96491359 YKCIYDIPAKRNEL-JTQLQIEISA-N 233.233 2.526 0 40 BFAB C/C=C/[C@H]1OC[C@]2(CO)[C@@H](C)[C@@H]1C(C)=C[C@H]2C 100648920 RQCLRCULEFIVSO-AORASVJFSA-N 236.355 2.788 0 40 BFAB biogenic CCc1ccccc1C[C@@H](C(=O)O)N(CC)CC 107843620 HQGAYOIUGGFPPZ-AWEZNQCLSA-N 249.354 2.587 0 40 BFAB c1ccc2c(c1)CN(c1ccnc(C3CC3)n1)C2 110586283 KIRCSSLZISQILM-UHFFFAOYSA-N 237.306 2.874 0 40 BFAB CC(C)[C@H]1C[C@@H](O)c2cc(F)ccc2O1 130999019 UTDGIWTYNPLBGD-ZYHUDNBSSA-N 210.248 2.666 0 40 BFAB Nc1ccccc1[C@@H](N)Cc1ccccc1 141735924 KEEPEMPTOGXXSJ-AWEZNQCLSA-N 212.296 2.511 0 40 BFAB O=C(O)C[C@@H]1CCc2c[nH]c3cccc1c23 211385893 XJSLBJIBJXDERV-QMMMGPOBSA-N 215.252 2.672 0 40 BFAB CNCCO[C@H](c1ccccc1)C1CCC1 217689017 SMTKQPIKKOJVPW-CQSZACIVSA-N 219.328 2.764 0 40 BFAB CC(C)c1cnn(-c2ccccc2F)c1N 221325538 IQIZVPVPSNJQOY-UHFFFAOYSA-N 219.263 2.717 0 40 BFAB O=C(O)[C@@H]1C[C@H]2C[C@H]1C1(C2)SCCCS1 242575056 NQHGJCNDFGOZFI-DJLDLDEBSA-N 244.381 2.684 0 40 BFAB Cc1cc(N2CCC(C(F)(F)F)CC2)ncn1 335307960 WIYUGRAQZOTXCR-UHFFFAOYSA-N 245.248 2.564 0 40 BFAB CC(=O)Oc1ccccc1C(=O)C=C(C)C 390194704 OUVKCCJDTPHHEZ-UHFFFAOYSA-N 218.252 2.761 0 40 BFAB C/C=C(\F)C(=O)N[C@@H]1CCCOc2ccccc21 585141021 NOCJOUWGVCSRJJ-MFUWOIKSSA-N 249.285 2.890 0 40 BFAB Cc1nc(OC2CCC2)cc(C(F)(F)F)n1 585650517 ARUVIWCYPXUMLX-UHFFFAOYSA-N 232.205 2.735 0 40 BFAB COC(=O)[C@H]1C[C@@H]1c1cc(C)cc(C)c1 1857793747 CZNJNXVTQLKKQO-NEPJUHHUSA-N 204.269 2.580 0 40 BFAB c1ccc(-c2cnnn2-c2ccccc2)cc1 312365 LVMHTARDQMFJFA-UHFFFAOYSA-N 221.263 2.934 0 40 BFAB biogenic,in-vitro O=C1O[C@H](Nc2ccccc2)C(Cl)=C1Cl 1614116 SBWHAMQPYDVNIU-VIFPVBQESA-N 244.077 2.671 0 40 BFAB C[C@H]1COC(Nc2cccc3c2CCCC3)=N1 1614847 RWRDHAQLRPEBTR-JTQLQIEISA-N 230.311 2.752 0 40 BFAB Cc1csc2ccc3ccccc3[n+]12 1648632 QYSPHVPHLBOMAV-UHFFFAOYSA-N 200.286 2.948 0 40 BFAB CC(C)(C)c1nnc(S)n1-c1ccccc1 2523438 SKPMGVKBHVTGQH-UHFFFAOYSA-N 233.340 2.854 0 40 BFAB CCC[C@@H](C)NC(=O)[C@H](C)Oc1ccccc1 2856640 XKBSFTRUJWQJAH-NEPJUHHUSA-N 235.327 2.759 0 40 BFAB Cc1ccc(N2C(=O)c3ccccc3[C@@H]2O)cc1 4423500 UWHQATUHQVAVJT-AWEZNQCLSA-N 239.274 2.646 0 40 BFAB CC[C@@H](Nc1ccc(C)cc1C)C(=O)O 8702763 BQTIVCZODUDHDQ-SNVBAGLBSA-N 207.273 2.579 0 40 BFAB Cc1ccc2cc(CO)c(Cl)nc2c1C 11727629 AHIYRBIKPINREI-UHFFFAOYSA-N 221.687 2.997 0 40 BFAB O=C(O)[C@H](c1ccccc1)N1CCCCCC1 11886674 XEMZQCVESCWACG-ZDUSSCGKSA-N 233.311 2.688 0 40 BFAB Cc1nc(CNCCc2ccccc2)cs1 20253006 NWCRHESZLKXUHS-UHFFFAOYSA-N 232.352 2.784 0 40 BFAB Nc1nonc1-c1ccc(Cl)cc1Cl 20387508 MHIURJHEDPOTPC-UHFFFAOYSA-N 230.054 2.626 0 40 BFAB in-vitro Cc1c(N)cccc1C(=O)N1[C@@H](C)CCC[C@@H]1C 22169932 KISZGFIXRSDRCT-QWRGUYRKSA-N 246.354 2.980 0 40 BFAB Cc1cc2c(cc1C)[C@@H](NC1CC1)CCO2 35653497 FTXIDCPLHNXGCH-ZDUSSCGKSA-N 217.312 2.879 0 40 BFAB in-vitro Cc1n[nH]cc1CN[C@@H]1CCC[C@@H](C)[C@@H]1C 36901535 PTWDBOJHAJNARO-GBIKHYSHSA-N 221.348 2.632 0 40 BFAB CCCOc1nc2ccccc2cc1C(=O)O 37025623 OKXRKSVCQCZTEZ-UHFFFAOYSA-N 231.251 2.722 0 40 BFAB FC(F)COc1ccc(CNC2CC2)cc1 37755463 HJQNHALMIREDDR-UHFFFAOYSA-N 227.254 2.583 0 40 BFAB O=C(O)/C=C/c1cc(Cl)ccc1F 39319930 JIYVQLRKZKDQCB-DAFODLJHSA-N 200.596 2.577 0 40 BFAB COc1ncccc1C(=O)c1sccc1C 43210652 HXUHMWJDLFEGPW-UHFFFAOYSA-N 233.292 2.691 0 40 BFAB Cc1cnc(NC(=O)N2CCCC[C@H]2C)s1 43385920 YVBODVBKPNSSSZ-MRVPVSSYSA-N 239.344 2.858 0 40 BFAB CCOC(=O)c1cc(C)c(C)nc1Cl 44136292 BPYMGOJIXZADHP-UHFFFAOYSA-N 213.664 2.529 0 40 BFAB in-vitro Cc1nc(N)cc(-c2ccccc2Cl)n1 44262494 GPYVLLNBAPRVHN-UHFFFAOYSA-N 219.675 2.688 0 40 BFAB O=C(Nc1ccccc1O)c1ccsc1 44891932 ORODLGGESDUACK-UHFFFAOYSA-N 219.265 2.706 0 40 BFAB COC1CCN(Cc2cc(C)cc(C)c2)CC1 44892193 JBMSRIYZLPYKOH-UHFFFAOYSA-N 233.355 2.914 0 40 BFAB CC(C)(C)c1ccc(OCC(=O)NC2CC2)cc1 47210150 ZXSVYCZUYANZNM-UHFFFAOYSA-N 247.338 2.642 0 40 BFAB CCC(O)(CC)c1cc(F)cc(F)c1 55191928 HIZMPNROVHMDKO-UHFFFAOYSA-N 200.228 2.972 0 40 BFAB CCOc1ccc([C@@](C)(O)C(C)C)cc1 55191954 YUORVJGVOTUKKN-ZDUSSCGKSA-N 208.301 2.949 0 40 BFAB C[C@H](O)Cc1ccccc1C(F)(F)F 58003582 MHJYFVKQUMFNTH-ZETCQYMHSA-N 204.191 2.629 0 40 BFAB in-vitro OC[C@@H]1C[C@@H]1c1ccc(OC(F)(F)F)cc1 62720170 KVNJHEDVNVVWOD-WCBMZHEXSA-N 232.201 2.681 0 40 BFAB CCN(CC)c1ncccc1[C@H]1CCCCN1 72212909 HBZVFYQWXQXRBL-CYBMUJFWSA-N 233.359 2.742 0 40 BFAB O=C(NCCc1ccco1)OCc1ccccc1 74855931 AAPBKGHPRAKGOE-UHFFFAOYSA-N 245.278 2.749 0 40 BFAB Fc1cc(CNc2ncccn2)cc(F)c1F 83366669 RXOLZQGSTKGEQR-UHFFFAOYSA-N 239.200 2.506 0 40 BFAB COc1ccc(Cc2noc(C3CCC3)n2)cc1 83947404 BLVUAMFCMULNHB-UHFFFAOYSA-N 244.294 2.937 0 40 BFAB CCCn1cc(NCc2c(C)noc2C)cn1 90191207 DXLNSPYBYYGATL-UHFFFAOYSA-N 234.303 2.510 0 40 BFAB CC(C)C[C@H](N)CSC(F)(F)F 95918473 QRORIQXMHRZVCN-LURJTMIESA-N 201.257 2.613 0 40 BFAB C[C@H](SCC1CCCC1)C(=O)NC1CC1 95940640 XNXWKEMSAZHDET-VIFPVBQESA-N 227.373 2.577 0 40 BFAB CC1(C)OC(C)(C)c2c(C(=O)O)cccc21 96171765 UIKSDXHBBPLASN-UHFFFAOYSA-N 220.268 2.885 0 40 BFAB CC(C)[C@@H]1CC(=O)Oc2ccc3nsnc3c21 96223329 SNPOQQUPGAOHDN-ZETCQYMHSA-N 248.307 2.740 0 40 BFAB CC[C@@H](SC[C@H](C)c1ccccc1)C(N)=O 96496218 XHXWFWMXSCAPCI-CMPLNLGQSA-N 237.368 2.787 0 40 BFAB CC1CCN(C[C@@H]2Cc3ccccc3N2)CC1 96524022 VIAXGZXBENTROY-AWEZNQCLSA-N 230.355 2.755 0 40 BFAB Cc1[nH]c2nc(Cl)ncc2c1Br 238489094 HOYWHEJPZIENQA-UHFFFAOYSA-N 246.495 2.682 0 40 BFAB c1cnc([C@H]2CCCN2Cc2ccsc2)cn1 257285687 PIHHLRAOJJIFFU-CYBMUJFWSA-N 245.351 2.875 0 40 BFAB CC(C)N1C(=O)S/C(=C/c2ccoc2)C1=O 409018437 VJISNUGOPPGWOL-WEVVVXLNSA-N 237.280 2.724 0 40 BFAB O=C(/C=C/c1ccccc1)Nc1cccnc1 344726 LIKDGODLSLTXFU-CMDGGOBGSA-N 224.263 2.734 0 40 BFAB C[C@H](O)c1cccc(NC(=O)c2ccccc2)c1 383816 INEZYUZGFVKXPD-NSHDSACASA-N 241.290 2.992 0 40 BFAB C[C@]1(c2ccccc2)CCCC[C@@H]1OC(N)=O 1628109 ACCLPWAXDNXWOT-GXTWGEPZSA-N 233.311 2.982 0 40 BFAB CCOC(=O)[C@@H](C)Oc1ccc(Cl)cc1 1761184 IZYDEGTZWAIWAZ-MRVPVSSYSA-N 228.675 2.670 0 40 BFAB CCOc1ccc(OCCNC2CCCC2)cc1 2191195 OPBCTVRKMBYJEL-UHFFFAOYSA-N 249.354 2.996 0 40 BFAB Cc1ccc(NC(=O)NCC2CC2)cc1 12874299 BHCFXSYUUNTFCG-UHFFFAOYSA-N 204.273 2.527 0 40 BFAB Cc1nnc(-c2nc3ccccc3nc2C)s1 16265658 DEGJPAOWZJYWIZ-UHFFFAOYSA-N 242.307 2.765 0 40 BFAB C[C@H]1CCC[C@@H](C)N1C[C@@H](O)c1ccccc1 17002477 GIRIKTUDEYKNBW-VNHYZAJKSA-N 233.355 2.983 0 40 BFAB COc1ccccc1/N=c1/scc(C)n1C 17124360 TUTOJNRLMBSQCP-OUKQBFOZSA-N 234.324 2.636 0 40 BFAB C[C@H](NN)c1cc(Cl)ccc1Cl 19403257 LWHUNXYBNIANIV-YFKPBYRVSA-N 205.088 2.518 0 40 BFAB O=C(O)CC1CCN(C2CCCCC2)CC1 19685918 VBBMBKQSOWAEPV-UHFFFAOYSA-N 225.332 2.506 0 40 BFAB COc1ccccc1[C@H]1CC(O)=Nc2n[nH]cc21 20733923 GCGSUVIRUQYLIF-SECBINFHSA-N 243.266 2.542 0 40 BFAB FC(F)(F)Oc1cc(Cl)nc(Cl)n1 34436171 QAXVWUZCDWFCES-UHFFFAOYSA-N 232.976 2.682 0 40 BFAB O=Cc1c(Cl)ccc(Br)c1O 39320176 RXLGXLJYAXNISQ-UHFFFAOYSA-N 235.464 2.621 0 40 BFAB [O-][n+]1ccccc1SCC1CCCCC1 39588753 APLNURVLVZIGKK-UHFFFAOYSA-N 223.341 2.992 0 40 BFAB CC(C)(C)c1cccc(O[C@@H]2CCNC2)c1 42776304 IDZDJZBAARTWKQ-CYBMUJFWSA-N 219.328 2.725 0 40 BFAB CC[C@H](Cc1cc(F)ccc1F)C(=O)O 43459166 MGLLBZYQWCVFSH-SSDOTTSWSA-N 214.211 2.618 0 40 BFAB C/C(=C\c1ccc(Cl)c(F)c1)C(=O)O 44221308 NTQYRYVJTHXKBL-GQCTYLIASA-N 214.623 2.967 0 40 BFAB CC(C)NC[C@H]1CCCN(Cc2ccccc2)C1 53655404 HIBAQIRRTMTEJV-MRXNPFEDSA-N 246.398 2.897 0 40 BFAB COCCN(C1CC1)[C@H]1CCc2ccccc21 65951555 CISXSLUNHZQBTO-HNNXBMFYSA-N 231.339 2.785 0 40 BFAB CN(C)[C@@H](CO)c1ccc(Cl)cc1Cl 70452965 TUXXNGRIPJYLPR-JTQLQIEISA-N 234.126 2.588 0 40 BFAB CC(C)CN1c2ccccc2[C@@H](C(N)=O)C[C@@H]1C 71811782 VTGDSTLWPQUNJA-AAEUAGOBSA-N 246.354 2.510 0 40 BFAB CCCN1CCC[C@H]1c1cnc(N)c(C)c1 72218442 QZLAOQRWEPTUKH-LBPRGKRZSA-N 219.332 2.519 0 40 BFAB O=C(O)[C@]1(c2ccccc2)CCCCS1 72220162 BENVMOKTJVRBBQ-GFCCVEGCSA-N 222.309 2.884 0 40 BFAB Cc1cc(CO)cnc1Nc1ccccc1 72222268 CFERBTPPFNXPBU-UHFFFAOYSA-N 214.268 2.626 0 40 BFAB O=C(c1cccs1)N1C[C@@H]2CC=CC[C@H]2C1 89799904 FDGUUEWNXDFVOP-QWRGUYRKSA-N 233.336 2.786 0 40 BFAB CC(C)Cc1csc(-c2c[nH]cn2)n1 89856538 KEQGNACGLHSFGX-UHFFFAOYSA-N 207.302 2.732 0 40 BFAB CCOC(=O)CCCOc1cccc(F)c1F 95733871 JPZWFBUHEURMGM-UHFFFAOYSA-N 244.237 2.687 0 40 BFAB CC(=O)Cc1ccccc1OC(F)(F)F 95913021 CASHVSIYNUQQJP-UHFFFAOYSA-N 218.174 2.717 0 40 BFAB CCN(CC)C[C@@H]1C(=O)[C@]2(C)CC[C@@H]1C2(C)C 100366982 PJDFPHPQOIPEKX-HUBLWGQQSA-N 237.387 2.970 0 40 BFAB CC(C)=CC[C@@H](O)[C@@]1(C)[C@@H]2CC[C@H](C2)[C@@]1(C)O 100393352 VORYVMSYLVEJBA-KJWHEZOQSA-N 238.371 2.891 0 40 BFAB biogenic,in-vitro C/C(O)=C(\Cl)C(=O)Nc1ccccc1 103594352 YWKZQTSYBADHDC-VQHVLOKHSA-N 211.648 2.653 0 40 BFAB Cc1cccc(OCCNC(=O)C(C)(C)C)c1C 223966013 JKDGTGLHDKQVHZ-UHFFFAOYSA-N 249.354 2.845 0 40 BFAB CCN(C(C)=O)c1ccc(Cl)c(F)c1 252509071 YCBLEHKRFFCVDE-UHFFFAOYSA-N 215.655 2.852 0 40 BFAB CCn1cc(CNc2ccnn2C(C)C)c(C)n1 256049663 AVUKXMLNSDFGST-UHFFFAOYSA-N 247.346 2.601 0 40 BFAB CC[C@@H](Cl)C(=O)c1cccc(OC(C)=O)c1 390532349 MVWONWPZJUUEGK-LLVKDONJSA-N 240.686 2.812 0 40 BFAB CCO/C([O])=C(/O)CCc1ccccc1 1560407597 TVQXKTNOPWMMBC-UHFFFAOYSA-N 207.249 2.813 0 40 BFAB CCOC(=O)Nc1ccc(F)cc1F 110834 BPSIMPGQOACUJF-UHFFFAOYSA-N 201.172 2.533 0 40 BFAB COc1ccc(CC2CCC(=O)CC2)cc1 162031 VUYADWDOAFPYIR-UHFFFAOYSA-N 218.296 2.997 0 40 BFAB Nc1ccc(-c2cnc3ccccc3n2)cc1 233199 QNOVVPGTGKFAED-UHFFFAOYSA-N 221.263 2.879 0 40 BFAB in-vitro O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccccc1 250135 OMKJOVVKLPKENU-CYZMBNFOSA-N 215.296 2.605 0 40 BFAB CC[C@]1(C)OC(=O)N(c2ccccc2)[C@@]1(C)O 1055174 HZYGFMWHYMVDFI-STQMWFEESA-N 235.283 2.520 0 40 BFAB O=c1cc(Cl)c(Cl)nn1-c1ccccc1 1566886 BMKCLGBWAXSQQL-UHFFFAOYSA-N 241.077 2.539 0 40 BFAB CC(C)COCCOC(=O)c1ccccc1 2522785 IZSQPHSZUIHECN-UHFFFAOYSA-N 222.284 2.516 0 40 BFAB COc1ccc([C@H](N)c2ccccc2)cc1OC 4312901 PGBFJBABOKHGQU-OAHLLOKOSA-N 243.306 2.752 0 40 BFAB CC[C@H](CO)NCc1cccc2ccccc12 4695043 YVBGOMBRFIXNPF-CQSZACIVSA-N 229.323 2.700 0 40 BFAB COc1ccc([C@H](O)c2ccccc2)c(OC)c1 5358300 PFUFJTGCMMNQHL-OAHLLOKOSA-N 244.290 2.786 0 40 BFAB CCC1=NO[C@H](C)[C@H]1C(=O)OCc1ccccc1 8652503 UVJRUSOTHJUKSM-ZWNOBZJWSA-N 247.294 2.531 0 40 BFAB CCCn1c(C(C)(C)O)nc2ccccc21 8785913 UZDSXEGGAPNIAG-UHFFFAOYSA-N 218.300 2.674 0 40 BFAB Cc1ccc(OCC[C@@H]2CCCNC2)cc1 14632373 KFDOEPSKFIMJDM-ZDUSSCGKSA-N 219.328 2.764 0 40 BFAB C[C@@H](O)c1ccc(F)c(C(F)(F)F)c1 15442956 VVMUNUHSORCOAL-RXMQYKEDSA-N 208.154 2.898 0 40 BFAB in-vitro COc1ccccc1CNc1ccc(Cl)nn1 20002186 RVIUMZCAIKFACE-UHFFFAOYSA-N 249.701 2.751 0 40 BFAB Nc1[nH]nc(C(F)(F)F)c1-c1cccs1 20272831 CFFNYBLQRHIDJN-UHFFFAOYSA-N 233.218 2.739 0 40 BFAB O=Cc1ccc(Oc2ccnc(Cl)n2)cc1 20357638 VDKYAXSPQPTVOF-UHFFFAOYSA-N 234.642 2.735 0 40 BFAB COc1ccc(-c2cc(Cl)ncn2)cc1 26420715 FNEKYVMAYAGBHY-UHFFFAOYSA-N 220.659 2.806 0 40 BFAB CSc1ccc(-c2nsc(N)n2)cc1 26509294 VGDLSMKOVNEJIA-UHFFFAOYSA-N 223.326 2.509 0 40 BFAB COc1ccc2oc([C@H](C)N)c(C)c2c1 34972323 VZBUUIHOYJYDAX-QMMMGPOBSA-N 205.257 2.770 0 40 BFAB in-vitro COc1ccc(Cl)cc1NCc1cc[nH]n1 36900035 OTROMXWJLRVNHB-UHFFFAOYSA-N 237.690 2.684 0 40 BFAB C[C@@H](N[C@@H]1CCSC1)c1cccc(O)c1 37150993 YYQKETQUIXZXRK-MWLCHTKSSA-N 223.341 2.548 0 40 BFAB Cc1ccc(F)cc1NC(=O)NCC(C)C 40525991 IIPAEDJXYZMRQP-UHFFFAOYSA-N 224.279 2.912 0 40 BFAB CC(C)(C)CC(=O)Nc1cccc(NC(N)=O)c1 42620289 IQKMKSYWEDKJBY-UHFFFAOYSA-N 249.314 2.552 0 40 BFAB CCCNC(=O)c1ccc(F)c(C(F)(F)F)c1 43567061 STQKJCOFNCXGJY-UHFFFAOYSA-N 249.207 2.984 0 40 BFAB CN(CC(C)(C)C)C(=O)c1cccc(C(=O)O)c1 45091671 XTIWPJVLMKVNCX-UHFFFAOYSA-N 249.310 2.503 0 40 BFAB in-vitro CC[C@@H](O)CN[C@H](CC)c1cccs1 49530588 OBBBOBXHCKLPNG-NXEZZACHSA-N 213.346 2.560 0 40 BFAB CSC[C@H](C)C(=O)NC/C=C/c1ccccc1 71902893 ODSDBFBXTHXLPS-LZGFCCKTSA-N 249.379 2.815 0 40 BFAB C1=C[C@H](Sc2ncnc3nc[nH]c23)CCC1 71910983 DPABBAXHFFWIPI-QMMMGPOBSA-N 232.312 2.554 0 40 BFAB COc1c(Cl)c(F)nc(F)c1Cl 72284044 RQWCDYPJPZHFAZ-UHFFFAOYSA-N 213.998 2.675 0 40 BFAB CCCN(CC(=O)O)c1cccc(Cl)c1C 76624178 BPHQLMQJKKMYPV-UHFFFAOYSA-N 241.718 2.949 0 40 BFAB CCc1[nH]c2ccc(C)cc2c(=O)c1C 82449735 SDSWOBAKDRJIIK-UHFFFAOYSA-N 201.269 2.707 0 40 BFAB Cc1c(CN)c2cc(OC(C)C)ccc2n1C 82604457 VXJDUFGOUMZQJL-UHFFFAOYSA-N 232.327 2.733 0 40 BFAB C[C@@H](CC(=O)O)c1c(F)cccc1F 82912281 YXRPVXYABHYNIR-LURJTMIESA-N 200.184 2.543 0 40 BFAB Cc1[nH]ccc1C(=O)N1CCC[C@H]2CCC[C@@H]21 89536757 KQJGJQVQFKVYOW-YPMHNXCESA-N 232.327 2.728 0 40 BFAB Cc1cc(C)c(C(=O)N2C[C@H]3CCC[C@@H]3C2)[nH]1 89568583 MDVSEXXHKZAOHL-VXGBXAGGSA-N 232.327 2.504 0 40 BFAB OCc1c(Cl)cc(Cl)nc1Cl 91351535 GAXGSDVCHFFUOP-UHFFFAOYSA-N 212.463 2.534 0 40 BFAB CC(C)(O)Cc1cccc(OC(F)(F)F)c1 95739441 NDHXTHBIBLMNHJ-UHFFFAOYSA-N 234.217 2.899 0 40 BFAB CCOC(=O)c1ccc(C(C)(C)C)nc1C 95756387 UNKVJWPPVCFGDS-UHFFFAOYSA-N 221.300 2.864 0 40 BFAB Cc1ccc(NCC2(C)CCOCC2)c(C)n1 158725807 JZUNJUWGKQUMHU-UHFFFAOYSA-N 234.343 2.927 0 40 BFAB CC[C@@H](NN)c1ccc(Cl)c(Cl)c1 161783102 LGUXYWJJTKCTSH-SECBINFHSA-N 219.115 2.908 0 40 BFAB CC[C@H](C)OC(=O)OCC(F)(F)C(F)F 169795790 BMPQKPYQXJVPAY-YFKPBYRVSA-N 232.173 2.839 0 40 BFAB NCC[C@@H]1CCCc2c1ncn2-c1ccccc1 217783802 JSSFBKVYQHKFQI-LBPRGKRZSA-N 241.338 2.641 0 40 BFAB CCOc1ccc([C@@H](CC)NC)cc1OC 222637987 VRZXWSKXOLRUEQ-LLVKDONJSA-N 223.316 2.764 0 40 BFAB COCCNCc1ccn(C2CCCCC2)c1 223693961 AWRIQTMUACFKBX-UHFFFAOYSA-N 236.359 2.729 0 40 BFAB CCO[C@@H](Cc1ccc(C)c(Cl)c1)C(=O)O 225081253 ZZOSDYMTCMZGRJ-NSHDSACASA-N 242.702 2.681 0 40 BFAB Brc1ccc2c(c1)[C@H]1C[C@@H]1CN2 225812196 FBLPILAEIROBHI-SVRRBLITSA-N 224.101 2.978 0 40 BFAB CCc1cc(CO)c2ccc(C)cc2n1 685937038 ILUVMMSUAXJHPV-UHFFFAOYSA-N 201.269 2.598 0 40 BFAB Cc1ncn(-c2ccc(F)c(Cl)c2F)n1 2362803646 SZKRQQFAXIXZAC-UHFFFAOYSA-N 229.617 2.507 0 40 BFAB COC(=O)c1sc(SC)c(C(C)=O)c1C 96217 NVFCQMZCVXQVON-UHFFFAOYSA-N 244.337 2.768 0 40 BFAB CC(C)CNC(=O)c1ccc(Cl)cc1 361940 ILCKINPCGGJLCK-UHFFFAOYSA-N 211.692 2.726 0 40 BFAB CC(=O)Cc1ncc(C(F)(F)F)cc1Cl 1405304 XREGOVGEGARKIK-UHFFFAOYSA-N 237.608 2.885 0 40 BFAB Cc1ccc2ccccc2c1CC(=O)O 1693239 GQHUFHPHBHEKSX-UHFFFAOYSA-N 200.237 2.775 0 40 BFAB CSc1nnc2sc3cc(C)ccc3n12 2024912 DVDUURBUNARXDM-UHFFFAOYSA-N 235.337 2.974 0 40 BFAB CCCCCCNC(=O)c1ccoc1C 2745243 QOEIEBCURIBXOQ-UHFFFAOYSA-N 209.289 2.898 0 40 BFAB CNC(=S)C12CC3CC(CC(C3)C1)C2 3896861 VLQCVEVVAOHWHQ-UHFFFAOYSA-N 209.358 2.750 0 40 BFAB O[C@H](CN1CCCCC1)c1c[nH]c2ccccc12 5277948 IHMSRKHIYWTFAD-OAHLLOKOSA-N 244.338 2.687 0 40 BFAB O=C(c1ccncc1)N1CC[C@@H]2CCCC[C@@H]2C1 8428386 OIVIFBSWWZLRPS-GXTWGEPZSA-N 244.338 2.734 0 40 BFAB Cc1ccc(N)cc1NC(=O)CC(C)(C)C 8703460 YHKCCVZTHAOVOF-UHFFFAOYSA-N 220.316 2.952 0 40 BFAB c1ccc2[nH]c(Cc3ccncc3)nc2c1 13162891 KUZZQNHNDBQAJO-UHFFFAOYSA-N 209.252 2.549 0 40 BFAB C[C@H]1C[C@@](CCN)(c2ccccc2)[C@@H](C)CN1C 13655990 XTILSTQWLFVMKB-OFQRWUPVSA-N 246.398 2.633 0 40 BFAB CC(C)C(=O)N1CCCCC[C@H]1c1ccn(C)n1 19085709 QHULPNNOODMSHC-ZDUSSCGKSA-N 249.358 2.520 0 40 BFAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NC(C)C 20045919 MJCUFAQXJROYOX-GFCCVEGCSA-N 239.290 2.508 0 40 BFAB Cc1nn(C)cc1NCc1cc(F)ccc1F 20354245 HEFVABBKRKDMAN-UHFFFAOYSA-N 237.253 2.619 0 40 BFAB CCCOc1ccccc1CNCCCOC 20924647 XYSNDAMMAPYIDO-UHFFFAOYSA-N 237.343 2.602 0 40 BFAB CCOC(=O)c1c(C)oc2c1C(=O)C[C@H](C)C2 22126459 BOQJMRPXJVOXSH-ZETCQYMHSA-N 236.267 2.530 0 40 BFAB Cc1noc(C(C)C)c1C(=O)Nc1cccnc1 24332639 LMUZNYGEOQYJGI-UHFFFAOYSA-N 245.282 2.754 0 40 BFAB O=C(O)c1cccc2ccc(Cl)nc12 26507239 MDJCCDPEWOWYIJ-UHFFFAOYSA-N 207.616 2.586 0 40 BFAB CCOc1ncccc1NC(=O)CC(C)(C)C 27583154 VWKRDRVFDCBNQJ-UHFFFAOYSA-N 236.315 2.855 0 40 BFAB Clc1cccc(COC[C@H]2CCCCN2)c1 28521909 YKOSMBLLOXIDKI-CYBMUJFWSA-N 239.746 2.999 0 40 BFAB c1ccc(C2=NCCN3[C@H]2[C@H]3c2ccccc2)cc1 34857979 QVPANXFAXRPUEK-QNZPCDNOSA-N 248.329 2.915 0 40 BFAB Cc1cccc(N/C=C2\SC(=O)N(C)C2=O)c1 36636152 UAHRWFKWHXZHFP-YFHOEESVSA-N 248.307 2.574 0 40 BFAB CNc1ccc(Oc2ccccn2)cc1 38057281 AUHHWJBGADUWTH-UHFFFAOYSA-N 200.241 2.916 0 40 BFAB in-vitro Cc1ccc2cc(Br)cc(N)c2n1 39208755 GIAIHUHNDHYKSL-UHFFFAOYSA-N 237.100 2.888 0 40 BFAB Cc1ccc(CN2CCCC[C@@H]2CN)c(C)c1 44539860 URFWSELDVWMLBS-OAHLLOKOSA-N 232.371 2.617 0 40 BFAB Cc1cc(C(=O)c2ccc(F)cc2F)ccn1 45038578 SMWCIMMATRWERL-UHFFFAOYSA-N 233.217 2.899 0 40 BFAB C[C@@H]1CCCCN1Cc1ccc(C(=O)O)s1 47474186 HOPDZUOXNPWGEI-SECBINFHSA-N 239.340 2.821 0 40 BFAB CC(C)NCc1ccc(N2CCC[C@@H]2C)nc1 51398873 SCTJSXPMWCVPFZ-LBPRGKRZSA-N 233.359 2.568 0 40 BFAB Cn1ccnc1SCc1cccnc1Cl 52727338 PBGWSIHRSBOGMO-UHFFFAOYSA-N 239.731 2.761 0 40 BFAB CCN1CCCC[C@@H]1c1cccnc1S 72217077 JKQZEQWWDHVWOR-LLVKDONJSA-N 222.357 2.917 0 40 BFAB Cc1cc([C@@H]2CCCCN2C=O)c[nH]c1=S 72218292 GBHDLYKWGLXKER-NSHDSACASA-N 236.340 2.736 0 40 BFAB Fc1ccc(CN2CCC[C@@H]2c2cc[nH]n2)cc1 72381364 WVRKEWDTZNICPS-CQSZACIVSA-N 245.301 2.886 0 40 BFAB CC(C)(C)C(=O)N1CCCC[C@H]1c1cnccn1 72383309 HYYLVYDWEIPOAG-LBPRGKRZSA-N 247.342 2.576 0 40 BFAB CCc1ccc([C@H](C)N[C@@H](C)CCOC)o1 95421514 WVRBDULDEVIXOO-QWRGUYRKSA-N 225.332 2.918 0 40 BFAB Cn1cccc1[C@@H](O)c1cccc(Cl)c1 95727674 RPISTNKYFQKDAF-LBPRGKRZSA-N 221.687 2.760 0 40 BFAB CC(C)COc1cc(F)cc([C@H](C)O)c1 95739630 GXJVASCYWHIMST-VIFPVBQESA-N 212.264 2.914 0 40 BFAB CC[C@](C)(O)[C@H]1CC(c2ccc(C)cc2)=NO1 96319416 WJKSDILBKCMZDO-KGLIPLIRSA-N 233.311 2.649 0 40 BFAB CCOC(=S)Sc1ccc(C(=O)O)cc1 96345937 JLSJKVHAFMPGBB-UHFFFAOYSA-N 242.321 2.798 0 40 BFAB CC[C@H]1COCCN1C(=O)Nc1ccccc1C 98014197 ZDVTXTAOHFWTNE-LBPRGKRZSA-N 248.326 2.638 0 40 BFAB CCOC(=O)c1c[nH]c2c(Cl)cccc12 98096574 OEHWMSNKVGVIGD-UHFFFAOYSA-N 223.659 2.998 0 40 BFAB in-vitro O=C(O)c1ccc2nc3c(nc2c1)[C@H]1CC[C@H]3C1 101136603 JPAIJDDWWXFORV-YUMQZZPRSA-N 240.262 2.693 0 40 BFAB CC1(C)[C@H]2[C@H](O)C[C@]3(C)CCC[C@]2(C[C@H]1O)C3 104310435 XUAASKRYNOBPBG-FPVZYODXSA-N 238.371 2.725 0 40 BFAB O=C(O)[C@H]1C[C@@H]1c1ccc(Cl)cc1F 162776709 ZXURYKUVEGERFH-SFYZADRCSA-N 214.623 2.667 0 40 BFAB Cc1ccc(Cl)c(C(=N)N)c1Cl 199551511 FZBLRLNLHXMRNQ-UHFFFAOYSA-N 203.072 2.586 0 40 BFAB C[C@@H](Cc1ccccc1F)N[C@H]1C[C@H]2CC[C@H]1O2 225435303 OIQQRBLZXDRNPW-MMMKDXCPSA-N 249.329 2.666 0 40 BFAB O=Cc1ccc(-c2ccccc2)cc1CC(=O)O 1260504788 ZCVYZXHOTYGORG-UHFFFAOYSA-N 240.258 2.793 0 40 BFAB Clc1cnc2nc(C3CCNCC3)ccc2c1 1888853972 LEBARHGUDDFWAV-UHFFFAOYSA-N 247.729 2.750 0 40 BFAB CC(C)(C)NC(=O)Nc1cccnc1Cl 137676 YAKRDAPCHAFMNR-UHFFFAOYSA-N 227.695 2.655 0 40 BFAB O=C1CCCC[C@@H]1COC[C@H]1CCCCC1=O 1577216 DZGKWALXSURTBW-VXGBXAGGSA-N 238.327 2.522 0 40 BFAB CSc1nc(=S)c(Br)c[nH]1 1678980 ZLJGWRQGNGPMBV-UHFFFAOYSA-N 237.147 2.624 0 40 BFAB COc1ccc(F)cc1NC(=O)OC(C)C 1682767 RRTGDPAQWRNKQT-UHFFFAOYSA-N 227.235 2.791 0 40 BFAB CCOC(=O)COc1ccc(Cl)cc1Cl 2034891 JSLBZIVMVVHMDJ-UHFFFAOYSA-N 249.093 2.935 0 40 BFAB in-vitro Cc1cc(Cl)ccc1OC(C)(C)C(=O)O 2557824 GFKKWENTMDBEPJ-UHFFFAOYSA-N 228.675 2.890 0 40 BFAB CCCCC(CCCC)(C(=O)O)C(=O)O 2573722 WUHHVDQBQZVSJV-UHFFFAOYSA-N 216.277 2.522 0 40 BFAB Cn1c(C(=O)NC2CCCC2)cc2sccc21 5135399 RARBQVMYQZOBHU-UHFFFAOYSA-N 248.351 2.912 0 40 BFAB C[C@H](Cc1ccccc1)N(C)C(=O)C(F)(F)F 5273881 AXAFMXNUGNZMCK-SECBINFHSA-N 245.244 2.638 0 40 BFAB Cc1nnc(CSc2nc3ccccc3[nH]2)o1 7342987 OUOUKBWQXQKFRK-UHFFFAOYSA-N 246.295 2.547 0 40 BFAB CCNC(=S)Nc1ccc(OC)c(Cl)c1 7521479 AZOCYEKKAWBBSM-UHFFFAOYSA-N 244.747 2.655 0 40 BFAB CN(C)CC[C@H](O)c1ccc(Cl)c(Cl)c1 12649732 MXOPILVGQYKXRO-NSHDSACASA-N 248.153 2.979 0 40 BFAB C[C@@H](NC(=O)c1ccncc1)c1cccc(F)c1 12984520 HGTYLQAFFRTFCS-SNVBAGLBSA-N 244.269 2.712 0 40 BFAB CCN1CCCC[C@@H]1CCOc1ccccc1N 13997083 WTVJYCXDYHBMOK-CYBMUJFWSA-N 248.370 2.912 0 40 BFAB CCCC[C@@H](CC)C1N(C)CCCN1C 19328485 WPWCLYYNJKTGOQ-GFCCVEGCSA-N 212.381 2.796 0 40 BFAB CC(C)COc1ccc(N)c2cccnc12 19772634 MDWSBTRTTZOOGL-UHFFFAOYSA-N 216.284 2.852 0 40 BFAB O=C(NC(C1CC1)C1CC1)c1ccccc1F 22534262 UXOGAPOKBBFHQH-UHFFFAOYSA-N 233.286 2.744 0 40 BFAB CCCNC(=O)NCc1ccc(Cl)cc1 23584907 JMIPKQNEYQOIJZ-UHFFFAOYSA-N 226.707 2.549 0 40 BFAB CC[C@H](C)C(=O)Nc1ccc2c(c1)CCO2 27126512 OFTIMOCTHJEYTR-VIFPVBQESA-N 219.284 2.606 0 40 BFAB CCc1ccc(C(=O)N[C@@H](C)c2cccnc2)o1 28893631 JULXYYRTXFTMLY-JTQLQIEISA-N 244.294 2.728 0 40 BFAB C[C@@H]1C[C@@H]1C(=O)Nc1ccccc1N1CCCC1 32678855 MHRBMOUCOGEZLR-NEPJUHHUSA-N 244.338 2.881 0 40 BFAB Cc1nc(C(C)C)sc1C(=O)NCC1CC1 32924496 HGAUZLXUFZNXKI-UHFFFAOYSA-N 238.356 2.715 0 40 BFAB O=C(O)/C=C\c1ccc(Cl)c(F)c1 33373884 MNELKRQRBRYHBV-RQOWECAXSA-N 200.596 2.577 0 40 BFAB NC1(c2ccc(Cl)c(Cl)c2)CC1 33487134 FWIUBNRQCNYBPZ-UHFFFAOYSA-N 202.084 2.941 0 40 BFAB in-vitro Cc1cc(NCc2ccccn2)ccc1N 35277798 QTKXTUOZVYWBFO-UHFFFAOYSA-N 213.284 2.584 0 40 BFAB O=C(O)c1ccc(Nc2ccncc2)cc1 37453528 OEWZQATXQINCCC-UHFFFAOYSA-N 214.224 2.523 0 40 BFAB COc1ccc(CC(=O)c2ccncc2)cc1 38125316 UFLLYXLLQBJVGM-UHFFFAOYSA-N 227.263 2.516 0 40 BFAB CCCNC(=O)[C@H](CC)Oc1ccccc1C 38757249 BVEYAMGGSVIDFA-LBPRGKRZSA-N 235.327 2.679 0 40 BFAB c1ccc([C@H]2CCN[C@@H](CN3CCCC3)C2)cc1 39982825 NEMBOXPYMBMMTE-JKSUJKDBSA-N 244.382 2.618 0 40 BFAB CC(C)=CC(=O)NCCSc1ccccc1 39985482 KZONMBPTUGLAEZ-UHFFFAOYSA-N 235.352 2.861 0 40 BFAB CCn1c([C@H](C)O)nc2ccc(Cl)cc21 40417188 OKJZDAQOFZWZNL-ZETCQYMHSA-N 224.691 2.763 0 40 BFAB COc1cccc(COCC[C@@H]2CCCCN2)c1 42773989 JIKYIVCRQBSHSP-AWEZNQCLSA-N 249.354 2.744 0 40 BFAB CCC[C@@H](C)N(C)C(=O)Nc1nccs1 43160041 JVBQLIIMSQKLDF-MRVPVSSYSA-N 227.333 2.795 0 40 BFAB Cc1ccc(C)c(C(=O)c2ncco2)c1 43210579 LANUBGUZUMVPSL-UHFFFAOYSA-N 201.225 2.522 0 40 BFAB CCOC(=O)Cc1cccc(Cl)c1F 43503461 SOFZBYFBEDBQMZ-UHFFFAOYSA-N 216.639 2.585 0 40 BFAB in-vitro Cc1[nH]c2cc(Cl)ccc2c1C(=O)O 45821308 HTEXXHGWBCGGJW-UHFFFAOYSA-N 209.632 2.828 0 40 BFAB O[C@@H](c1cc(F)c(F)c(F)c1)C(F)(F)F 62720689 KAHLUGYIZSGDCH-ZETCQYMHSA-N 230.107 2.700 0 40 BFAB Cc1noc([C@H](C)N2CCCCCCC2)n1 65539415 YMMOGAFWNXOODY-JTQLQIEISA-N 223.320 2.705 0 40 BFAB CCc1ccc([C@H](C)N[C@H]2CCOC2)cc1 70966043 RISKLTGOBDZYBK-FZMZJTMJSA-N 219.328 2.689 0 40 BFAB Clc1ccccc1CNC[C@H]1CCCCN1 72202847 MHZGHFLMMSPBDU-GFCCVEGCSA-N 238.762 2.572 0 40 BFAB CCN1CCC[C@H]1c1ccc(S)nc1C 72218372 XFJHHXIKMDUBLC-NSHDSACASA-N 222.357 2.836 0 40 BFAB O=C(O)C[C@@H]1COc2ccc3ccccc3c21 82295126 GLUBXCANIFBAHC-SNVBAGLBSA-N 228.247 2.791 0 40 BFAB CC(C)CSCCCNC(=O)c1ccco1 89856445 LGYJMPHNWLSMMN-UHFFFAOYSA-N 241.356 2.789 0 40 BFAB OCCCN[C@@H]1CCCSc2ccccc21 89857775 OBWJKOSBYVXKFS-GFCCVEGCSA-N 237.368 2.586 0 40 BFAB O=C(c1ccnn1C1CCCC1)N1CCCCC1 95419023 GJAWHTLNDBXJBU-UHFFFAOYSA-N 247.342 2.624 0 40 BFAB Fc1ccc(Cl)c(Br)n1 95828688 MWXJVTLWKAWFNF-UHFFFAOYSA-N 210.433 2.637 0 40 BFAB CC(C)CNC(=O)c1cccc2c1CCCC2 96171188 DFXIOZRJWOQHGG-UHFFFAOYSA-N 231.339 2.951 0 40 BFAB O[C@H]1CCC[C@H]1Nc1ccnc2ccccc12 97104638 VAGTXXWHWCUVPC-KGLIPLIRSA-N 228.295 2.560 0 40 BFAB O=C(O)c1sc2cccnc2c1Cl 108275123 IXQCLARZQGJIIB-UHFFFAOYSA-N 213.645 2.648 0 40 BFAB Fc1ccc(F)c(/C=C/c2ccncn2)c1 157361066 RXLGKNFQRXWPDO-HNQUOIGGSA-N 218.206 2.925 0 40 BFAB CCC(CC)Cc1cc(NN)ccc1O 199553238 MFSRPJCPYSYBLC-UHFFFAOYSA-N 208.305 2.657 0 40 BFAB COc1ccc(F)c(Br)c1OC 216888879 IYXJYYFJYGCONH-UHFFFAOYSA-N 235.052 2.605 0 40 BFAB CCCn1c(Cc2ccco2)ccc1C(=O)O 226031252 PFACAIHFCYTEAW-UHFFFAOYSA-N 233.267 2.780 0 40 BFAB CC1=Nc2c(C)cccc2[C@H](OCC(=O)O)C1 227148537 AEQPUVSJGNYBQI-LLVKDONJSA-N 233.267 2.633 0 40 BFAB CC1(C)CC(=O)[C@H]2C(C3CCCCC3)=NN[C@@H]2C1 228926884 KOGWSNSKRMXIPR-YPMHNXCESA-N 248.370 2.900 0 40 BFAB CCCCCNc1cnn(CC(F)F)c1 256052492 NNAPJTJLVHWUGJ-UHFFFAOYSA-N 217.263 2.750 0 40 BFAB CCCN(c1cc(C)ccc1C)[C@H](C)C(=O)O 260677513 HDIYXJFNLUABDK-GFCCVEGCSA-N 235.327 2.993 0 40 BFAB Cc1oncc1CN1CCC[C@@H]1C(F)(F)F 527629359 IMSVYQWXSOZNAS-SECBINFHSA-N 234.221 2.510 0 40 BFAB C[S@@](=N)(=O)c1ccc(C(F)(F)F)cc1 1772641056 RNDPTKUTNWFVSX-CQSZACIVSA-N 223.219 2.741 0 40 BFAB c1ccc(C2CC3(C2)CN([C@@H]2CCOC2)C3)cc1 1889090342 HDQYHINICJBHSW-OAHLLOKOSA-N 243.350 2.655 0 40 BFAB O=C1C[C@H]2CCC[C@H](C1)N2Cc1ccccc1 170626 BVEFCNSLJKPSEA-ZIAGYGMSSA-N 229.323 2.773 0 40 BFAB Nc1cc(Cl)ccc1N1CCCCC1 359419 BFOQYOCNAFPILH-UHFFFAOYSA-N 210.708 2.913 0 40 BFAB in-vitro CN(Cc1ccccc1)C(=O)/C=C/c1ccco1 574585 QRDJNFRGRJEHHP-MDZDMXLPSA-N 241.290 2.951 0 40 BFAB O=C(O)[C@H](CCc1ccccn1)c1ccccc1 2045680 SSRVHSJNWMCPCE-CQSZACIVSA-N 241.290 2.883 0 40 BFAB in-vitro CCn1nc(C)c(NC(=O)c2cccs2)c1C 2762079 XKDZBWOOPGKTAH-UHFFFAOYSA-N 249.339 2.834 0 40 BFAB CCOc1cc(Cl)c(Cl)c(C=O)c1O 4598928 JSGAXHIVNSHPRO-UHFFFAOYSA-N 235.066 2.910 0 40 BFAB C[C@H]1C[C@H](O)c2cc(Br)ccc2N1 4663562 USYQORVUJKRYHT-WKEGUHRASA-N 242.116 2.687 0 40 BFAB biogenic C1CC[C@@H]2S[C@H]3CCCC[C@H]3N[C@H]2C1 5297557 MGTISLRHMWCSLR-USZNOCQGSA-N 211.374 2.945 0 40 BFAB CCOc1cc2ccc(=O)oc2cc1OCC 5464620 DGPDRQGWVNICCZ-UHFFFAOYSA-N 234.251 2.590 0 40 BFAB Oc1cc(O)cc(/C=C\c2ccc(O)cc2O)c1 5641949 PDHAOJSHSJQANO-UPHRSURJSA-N 244.246 2.679 0 40 BFAB biogenic,in-vitro c1ccc2c(OC3CCNCC3)cccc2c1 6718313 KXEJLUAGLBQHLO-UHFFFAOYSA-N 227.307 2.971 0 40 BFAB CNc1nc(-c2ccc(OC)c(F)c2)cs1 7274112 DSRYNBFCFCGMAD-UHFFFAOYSA-N 238.287 3.000 0 40 BFAB COc1ccc2[nH]cc(C3CCN(C)CC3)c2c1 13731862 VPDWMZWOWRKIQD-UHFFFAOYSA-N 244.338 2.986 0 40 BFAB Cc1cc(Cl)nc(N2CCC[C@H](C)C2)n1 22073604 LTVQUKTXVMFZPW-QMMMGPOBSA-N 225.723 2.675 0 40 BFAB Cc1ccc2sc(NC(N)=S)nc2c1C 22124895 CNTBHJFDDKLOBS-UHFFFAOYSA-N 237.353 2.569 0 40 BFAB O=C(O)c1cc(-c2ccc(Cl)s2)on1 22176002 JMQBVJRNJFBDFK-UHFFFAOYSA-N 229.644 2.755 0 40 BFAB in-vitro c1ccc(C2=NCN3C[C@@]23c2ccccc2)cc1 31719799 NYSMVQYDVQCSAW-PYUWXLGESA-N 234.302 2.658 0 40 BFAB OCCCc1cc(Cl)cc(Cl)c1 34325813 SFYHVNQQBNMCOP-UHFFFAOYSA-N 205.084 2.918 0 40 BFAB in-vitro Cc1ccc([C@](C)(C(=O)O)N2CCCCC2)cc1 37361818 VJBRIXRRSBRJSI-OAHLLOKOSA-N 247.338 2.781 0 40 BFAB O=C(CC[C@H]1CCCO1)NCC1CCCCC1 40505996 MEFYONSHTKZIPZ-CYBMUJFWSA-N 239.359 2.642 0 40 BFAB CN[C@@H](C)C(=O)c1ccc(Cl)c(Cl)c1 41610031 QMTDOZQOSLOSTN-LURJTMIESA-N 232.110 2.784 0 40 BFAB CC(C)C(=O)c1ccc(C2OCCO2)s1 43210374 XDNVEQXCRHSSMG-UHFFFAOYSA-N 226.297 2.632 0 40 BFAB Cc1cccc(C(=O)c2ccccc2C)n1 45028463 ZYVNVNZFHRSPJW-UHFFFAOYSA-N 211.264 2.929 0 40 BFAB Cc1cc(N)cc(C)c1NC(=O)CC(C)C 45888278 OOTSGXNODHXZID-UHFFFAOYSA-N 220.316 2.870 0 40 BFAB CC(C)=CC(=O)NCc1ccc(Cl)cc1 46465125 ULQJTYGWIQXFMV-UHFFFAOYSA-N 223.703 2.922 0 40 BFAB Clc1ccc(COC[C@H]2CO2)c(Cl)c1 59469827 CKNSBNWOHLVHEM-VIFPVBQESA-N 233.094 2.909 0 40 BFAB CC/C=C/COC(=O)c1cnc(C)s1 71803820 GVFRHVWRNKLCAC-SNAWJCMRSA-N 211.286 2.575 0 40 BFAB CC(C)Oc1ncccc1[C@H]1CCCN1C 72211945 AGMDFSUSQUEWOC-GFCCVEGCSA-N 220.316 2.636 0 40 BFAB Cc1cc(N)nc(Nc2ccccc2Cl)n1 75156676 XZYXEXPJZXRXGH-UHFFFAOYSA-N 234.690 2.764 0 40 BFAB Cc1ccccc1Nc1scnc1C(=O)O 81898150 XVXMBIQIDKKMIM-UHFFFAOYSA-N 234.280 2.893 0 40 BFAB Cc1coc2c1C(=O)C[C@@H](C(F)(F)F)C2 85399175 WNNCRHBQRFHBBS-ZCFIWIBFSA-N 218.174 2.895 0 40 BFAB Cc1ccc(F)cc1C(=O)C[C@H](C)CC(=O)O 85652155 CNZHUZIDDMGKNP-QMMMGPOBSA-N 238.258 2.818 0 40 BFAB CC(=O)N1CCC[C@H]1c1ccc(C)s1 95397280 ZBDBGAJHQXDRPR-JTQLQIEISA-N 209.314 2.740 0 40 BFAB CC(C)OC1CCC(NCc2ccccn2)CC1 95434262 FPGXVAQAGAMYKD-UHFFFAOYSA-N 248.370 2.907 0 40 BFAB CC(C)=CCC[C@@H](C)NCC(=O)NC(C)(C)C 96476540 LAXTYKAVXHNFLU-GFCCVEGCSA-N 240.391 2.626 0 40 BFAB CCOc1cccc([C@@H](C)NC[C@H]2CCCO2)c1 153097307 AUPIDJVKGWCGIF-IUODEOHRSA-N 249.354 2.915 0 40 BFAB Cc1cccc(Cn2ncc3cc(N)ccc32)c1 199543629 IYPACMPLXLEBOA-UHFFFAOYSA-N 237.306 2.975 0 40 BFAB N=C(N)Cc1ccc(Cc2ccccc2)cc1 220025468 OTLUWZMZMFSRNM-UHFFFAOYSA-N 224.307 2.756 0 40 BFAB C[C@@H](c1ccccc1)n1ccc(C(=O)O)c1 223722300 DLPKPDRAIMEEAZ-JTQLQIEISA-N 215.252 2.796 0 40 BFAB Cc1ccc(N2CCN[C@H]3CCC[C@@H]32)c(C)c1 225716932 OAUPNICRQQYBGA-ZFWWWQNUSA-N 230.355 2.634 0 40 BFAB C[C@@H]1c2ccccc2N[C@H]2CCOC[C@H]21 225816932 CKNOUHZRZPFKDC-CDMKHQONSA-N 203.285 2.621 0 40 BFAB CCN1CCCCC[C@H]1[C@H]1CCCC1=O 242722853 XXBZXXWRTLZNRL-NEPJUHHUSA-N 209.333 2.620 0 40 BFAB CCn1nc(C)cc1NCc1ccc(F)cc1 256052974 PMELZZKYXOIAAS-UHFFFAOYSA-N 233.290 2.963 0 40 BFAB c1cc([C@H]2COCCN2C2CCCCCC2)[nH]n1 257271324 MXVNITMCMWPCGA-CQSZACIVSA-N 249.358 2.506 0 40 BFAB Cc1nccc(Oc2ccccc2C)n1 336186525 PJBSCOGYCLIVPY-UHFFFAOYSA-N 200.241 2.886 0 40 BFAB FC(F)(F)c1ccccc1-c1cnon1 953061881 BDGFBLOUHNUYNX-UHFFFAOYSA-N 214.146 2.755 0 40 BFAB Cn1c2c(c3cc(F)ccc31)CCCC2=O 97312 GLGRAUQRVBVXQO-UHFFFAOYSA-N 217.243 2.836 0 40 BFAB O=C(NCc1ccccc1)c1ccc(F)cc1 347235 XCRBOSJQBAFSMZ-UHFFFAOYSA-N 229.254 2.756 0 40 BFAB CCC(CC)C(O)(C(=O)O)C(CC)CC 1587806 IKPTXRCQLGMBPJ-UHFFFAOYSA-N 216.321 2.675 0 40 BFAB O=CNc1ccccc1OCc1ccccc1 1705720 VETDMZRCRDAJHY-UHFFFAOYSA-N 227.263 2.834 0 40 BFAB CCOP(=O)(OCC)OCCSCC 1719963 NMQDGOQOOUKIGM-UHFFFAOYSA-N 242.277 2.937 0 40 BFAB CCOC(=O)N(C)[C@@H](C)Cc1ccccc1 2030130 LWZCZYZOOQILJZ-NSHDSACASA-N 221.300 2.706 0 40 BFAB CC(C)c1ccc(CNCCCN(C)C)cc1 2373649 LXCZXUDZZMKAQM-UHFFFAOYSA-N 234.387 2.851 0 40 BFAB Cn1cc(C(=O)N2CCCCC2)c2ccccc21 4054177 CAIMODZTAIIUJX-UHFFFAOYSA-N 242.322 2.804 0 40 BFAB O=Cc1ccc(-c2ccc(C(=O)O)o2)s1 4313155 CTMNLCHWLXXEAT-UHFFFAOYSA-N 222.221 2.519 0 40 BFAB C[C@H](Nc1ncnc(Cl)c1N)c1ccccc1 4934399 DLNCMMJXFCBSMN-QMMMGPOBSA-N 248.717 2.885 0 40 BFAB CC1(C)COC(CC(=O)c2ccc(F)cc2)=N1 5044194 PRCHXMGRLCBTKB-UHFFFAOYSA-N 235.258 2.606 0 40 BFAB O=C(c1ccccc1)N1CCc2ccccc2C1 5601410 QXUMOIJXVLZMFC-UHFFFAOYSA-N 237.302 2.885 0 40 BFAB C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)O 11888798 ZLRMHHUHESVKKI-YFKPBYRVSA-N 235.066 2.845 0 40 BFAB O=Cc1ccc(CN2CCCCCC2)cc1 15014309 MRZCWWJOKSOOJQ-UHFFFAOYSA-N 217.312 2.875 0 40 BFAB O=C1Nc2ccc(-c3cccs3)cc2C1=O 16946274 YOFGZEWPLABWQJ-UHFFFAOYSA-N 229.260 2.550 0 40 BFAB Cc1ccc([C@@H](N)CN2CCCCCC2)cc1 19821210 JYNHGBAAFUVMLW-HNNXBMFYSA-N 232.371 2.871 0 40 BFAB COc1ccc(CCNc2ccccn2)cc1 20016290 DBPITLNFQYDSIF-UHFFFAOYSA-N 228.295 2.745 0 40 BFAB Sc1ncnc2ccc(Br)cc12 20281920 POBLUMIPMANYST-UHFFFAOYSA-N 241.113 2.681 0 40 BFAB O=C1CCc2cc(Cl)cc(Cl)c2O1 26893635 DNRWXABMOCRPIA-UHFFFAOYSA-N 217.051 2.845 0 40 BFAB Cc1ccc(CN(C)C(=O)c2ccoc2)cc1 32841536 WVAFYVMKICXQCL-UHFFFAOYSA-N 229.279 2.860 0 40 BFAB O=C(NCCC1=CCCCC1)c1ccoc1 36397000 KPWHFYURVSRALQ-UHFFFAOYSA-N 219.284 2.900 0 40 BFAB COc1ccc(CCC(=O)n2cccc2)cc1 49601775 DLHIPWLSQXISAB-UHFFFAOYSA-N 229.279 2.770 0 40 BFAB biogenic O=C(CC[C@@H]1CCCCN1)Nc1ccccc1 50931146 QSTCIRPBLUAFRO-LBPRGKRZSA-N 232.327 2.547 0 40 BFAB C[C@H](CN)Cc1cccc(Br)c1 52946726 JJWIJUAFXXAWJD-QMMMGPOBSA-N 228.133 2.586 0 40 BFAB Nc1nc2c(s1)CCc1sccc1-2 61325660 OJUDYDLEOMQXLM-UHFFFAOYSA-N 208.311 2.552 0 40 BFAB CC[C@@H](NC)[C@H](NC(=O)OC(C)(C)C)C(C)C 72207629 RHJTUWWWRIQKAM-GHMZBOCLSA-N 244.379 2.534 0 40 BFAB CC(C)Oc1ncccc1C1=NCCCC1 72211970 QUZLMVXYORMYMR-UHFFFAOYSA-N 218.300 2.842 0 40 BFAB c1cc(NC2CCC2)ncc1[C@H]1CCCCN1 72213851 MZWMFELOWSITFT-CYBMUJFWSA-N 231.343 2.861 0 40 BFAB CC(C)C(=O)N1CCC[C@H](Cc2ccccn2)C1 72361260 UTESONTUNJJISY-CYBMUJFWSA-N 246.354 2.519 0 40 BFAB CC(=O)N[C@@H]1CCCC[C@H]1Cc1ccccc1 77310020 HHFMDOBWCCQMOI-LSDHHAIUSA-N 231.339 2.924 0 40 BFAB COc1ccc(-n2ccc(C=O)c2C)cc1 78582623 OHCAWXUJYRPGPZ-UHFFFAOYSA-N 215.252 2.607 0 40 BFAB Cc1cc(C2(O)CCN(C)CC2)ccc1Cl 79030394 MOLNPTDITPOUQF-UHFFFAOYSA-N 239.746 2.562 0 40 BFAB O=C(NC1CCCCC1)c1ccc2[nH]ncc2c1 82271427 ZDBCPXJYJIFVJS-UHFFFAOYSA-N 243.310 2.625 0 40 BFAB Cc1cc(C)cc(NC(=O)[C@H]2CCCN(C)C2)c1 82322888 CNLSHHRDAWEPFH-ZDUSSCGKSA-N 246.354 2.584 0 40 BFAB CCc1cc(Br)cc2c1NC(=O)C2 88125809 NXOUVURQCMNBBB-UHFFFAOYSA-N 240.100 2.506 0 40 BFAB CC(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 95350999 ZLIJQHKPEOVNPO-CYBMUJFWSA-N 221.275 2.803 0 40 BFAB CCc1noc(CC)c1CN[C@H](C)C1CC1 95969164 KAHKRTBVPPBJSF-SECBINFHSA-N 222.332 2.688 0 40 BFAB C[C@H]1C[C@@H](C)CN(C(=O)c2cc(C3CC3)on2)C1 96997478 XHCUPMSIAIMJBC-AOOOYVTPSA-N 248.326 2.670 0 40 BFAB CCc1cnccc1C(=O)N(C)[C@@H](C)C1CCC1 97110872 HVRBQHNLPHWMAV-NSHDSACASA-N 246.354 2.905 0 40 BFAB Cc1nnc(CN[C@@H]2CCC[C@H](C)[C@H]2C)s1 108494963 UAYLIGKQKXAAFB-IQJOONFLSA-N 239.388 2.761 0 40 BFAB Cc1nc2ccc(N)cc2n1CC(C)C 114233000 JAMJWLQYTUROTL-UHFFFAOYSA-N 203.289 2.583 0 40 BFAB COC(=O)c1cccn1-c1cccc(C)c1C 223723370 ZQIRQUCMZXCFGY-UHFFFAOYSA-N 229.279 2.881 0 40 BFAB CCCn1cnc2cc(C(=O)O)c(Cl)cc21 225727210 FRORYMNDWOFHCO-UHFFFAOYSA-N 238.674 2.798 0 40 BFAB CCn1c(CO)ccc1Cc1ccccc1 226027325 GEDOOLNPRQEZSY-UHFFFAOYSA-N 215.296 2.591 0 40 BFAB CCOC(=O)c1cc(Cl)cc(O)c1C 575699527 AYJLENHAZKLUSB-UHFFFAOYSA-N 214.648 2.531 0 40 BFAB CCC(=O)N1CC[C@@]2(C)OC(C)(C)CC[C@H]2C1 585283538 AFXGNZTVTDLUQE-SMDDNHRTSA-N 239.359 2.593 0 40 BFAB CC(C)COc1cnc2c(N)cccc2c1 685937532 JDIBJTNCJRGENI-UHFFFAOYSA-N 216.284 2.852 0 40 BFAB O=C(O)c1ccc(OC(=O)c2ccccc2)cc1 254583 OUANAAHOQVMJCH-UHFFFAOYSA-N 242.230 2.604 0 40 BFAB biogenic c1ccc2c(c1)[C@@H]1CC[C@H]2[n+]2ccccc21 1578085 UQYXIIIWPUYQCF-DZGCQCFKSA-N 208.284 2.803 0 40 BFAB COc1ccc(Cc2ccc(O)cc2)cc1 1648948 XOTIMSKNZMRPGK-UHFFFAOYSA-N 214.264 2.992 0 40 BFAB CO[C@H](c1ccccc1)P(=O)(OC)OC 3161495 VCFQVZPOBWHIHB-JTQLQIEISA-N 230.200 2.818 0 40 BFAB O=C(O)c1ccc(C2SCCS2)cc1 3356970 TUFUEXHGSDXLLE-UHFFFAOYSA-N 226.322 2.863 0 40 BFAB in-vitro N[C@H]1C[C@H]1c1cc(Cl)ccc1Cl 3652589 HWVLFVDCULHPCP-CBAPKCEASA-N 202.084 2.808 0 40 BFAB NC1=Nc2ccccc2Oc2ccccc21 4108798 WJWDEWXJRCMLMU-UHFFFAOYSA-N 210.236 2.829 0 40 BFAB CC1=CO[C@](C)([C@@H]2NC(C)(C)C[C@@H](C)O2)CC1 4705823 VRXXEZCAJXPBHD-BZPMIXESSA-N 239.359 2.962 0 40 BFAB C/C=C\COC(=O)COc1ccc(Cl)cc1 4896147 NNXLJVUHVLGXHB-IHWYPQMZSA-N 240.686 2.838 0 40 BFAB COc1cccc(C(=O)Nc2ncccc2C)c1 5337916 AZQRTELJNIEDDX-UHFFFAOYSA-N 242.278 2.651 0 40 BFAB COc1sc(C(C)=O)cc1Br 8873712 REPQIIAZSSZKFB-UHFFFAOYSA-N 235.102 2.722 0 40 BFAB CC(C)NC(=O)[C@H]1CCCc2ccccc21 13022017 SXCAVZFMHYAVRF-ZDUSSCGKSA-N 217.312 2.631 0 40 BFAB O=C(Nc1ccccn1)Oc1ccccc1 13236133 IDQIVMAVPVTKGL-UHFFFAOYSA-N 214.224 2.693 0 40 BFAB c1cc2c(cc1OCC1CCNCC1)CCC2 14631485 TWEZLUFLGOTKSZ-UHFFFAOYSA-N 231.339 2.554 0 40 BFAB in-vitro O=c1c(Cl)c[nH]c2cccc(Cl)c12 19721905 XOJXGDQMNWRRTP-UHFFFAOYSA-N 214.051 2.835 0 40 BFAB Cc1ccnc(NC(=O)c2ccnc(Cl)c2)c1 19844188 XZWHMQPYXQNHKD-UHFFFAOYSA-N 247.685 2.691 0 40 BFAB Nc1cc(C(F)(F)F)nc(C(F)(F)F)c1 32255807 KPSPGGWCQFNRNP-UHFFFAOYSA-N 230.111 2.701 0 40 BFAB O=Cc1c(F)c(F)cc(Br)c1F 34433959 IAZJZAXUIHMQGF-UHFFFAOYSA-N 238.990 2.679 0 40 BFAB Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)O 34937852 PQTBLOSRHVZLLL-UHFFFAOYSA-N 236.658 2.532 0 40 BFAB CC(C)Cc1n[nH]c(N)c1-c1ccc(F)cc1 36935683 RXNFEIRHQWBSDP-UHFFFAOYSA-N 233.290 2.997 0 40 BFAB C[C@H](Nc1ccn(C)n1)c1cc(F)ccc1F 37560938 HWZLKHJGJMXEGE-QMMMGPOBSA-N 237.253 2.871 0 40 BFAB CCC(=O)NC(C)(C)Cc1ccccc1 40620946 SJULVHTXOCFMMA-UHFFFAOYSA-N 205.301 2.534 0 40 BFAB Cc1ccc(-c2nc(C3CCNCC3)no2)cc1 41288619 VEYKGZPOIWTSQO-UHFFFAOYSA-N 243.310 2.512 0 40 BFAB O[C@H]1CCc2ccc(OC(F)(F)F)cc21 42405573 BOTGRKVUUXJWSQ-VIFPVBQESA-N 218.174 2.565 0 40 BFAB in-vitro Cc1cc(C(=O)N2c3ccccc3C[C@@H]2C)no1 44866130 BIVJWXGHSUFZKL-VIFPVBQESA-N 242.278 2.574 0 40 BFAB CCOC(=O)c1cccc(-c2ccccc2)n1 71255678 CIAWKIXJCRLUFQ-UHFFFAOYSA-N 227.263 2.925 0 40 BFAB CCCCN(C)C[C@H]1Cc2ccccc2N1 87655845 XTQIPZSUUCFLPD-CYBMUJFWSA-N 218.344 2.755 0 40 BFAB O=C1N[C@@H]2CCCN2c2c1sc1ccccc21 89872959 CWFRVRTYSVMVLI-JTQLQIEISA-N 244.319 2.571 0 40 BFAB O=Cc1ccc(CN2CCCCC2)c(F)c1 95738664 LKHJLSDVDGKFHF-UHFFFAOYSA-N 221.275 2.624 0 40 BFAB CC(C)CN1CC[C@@H]2[C@@H]1CCN2Cc1ccco1 96055769 PDSPCPVVEVVJNK-LSDHHAIUSA-N 248.370 2.584 0 40 BFAB Cc1cc(Sc2ccoc2C)ncn1 97162965 LFXZVQVUDRFNDS-UHFFFAOYSA-N 206.270 2.838 0 40 BFAB CCc1nnc(CN[C@@H](C)c2cc(C)oc2C)o1 183775097 BFJRQYWQOFISMU-VIFPVBQESA-N 249.314 2.693 0 40 BFAB Cc1c(Br)cc(F)cc1C=O 215586845 IDZQMCBGYRYVJM-UHFFFAOYSA-N 217.037 2.709 0 40 BFAB CCOC(=O)C(F)(F)Sc1cccs1 217573378 CWJNVSBXQZAPSC-UHFFFAOYSA-N 238.280 2.996 0 40 BFAB CN1C[C@@H](CO)[C@@H](c2ccc(C(C)(C)C)cc2)C1 225608829 AATMIODLBAMVPX-DZGCQCFKSA-N 247.382 2.622 0 40 BFAB CC(C)(C)OC(=O)N1CC[C@H](c2ccccn2)C1 231555043 JZXLGHYDEQKJEQ-NSHDSACASA-N 248.326 2.806 0 40 BFAB CCC[C@@H](NC)C(=O)c1ccc(C)cc1 299817077 AKVKBEDACKJNPO-GFCCVEGCSA-N 205.301 2.566 0 40 BFAB in-vitro CC(C)(C)OC(=O)N1C[C@@]2(C)C=C[C@]1(C)C2 1857793015 GJRXFHIGTURNRK-QWHCGFSZSA-N 223.316 2.962 0 40 BFAB Cc1cc(C)nc(Sc2c(C)n[nH]c2C)n1 193800 MQWJSMDNKNPJGH-UHFFFAOYSA-N 234.328 2.585 0 40 BFAB Cc1[nH]c(N)nc(=S)c1CCC(C)C 1748152 KRLOQZGODUQSHO-UHFFFAOYSA-N 211.334 2.618 0 40 BFAB CO[C@H](C)CCOC(=O)c1cccc(C)c1 2046599 DTPVXJPKOUXMGF-LLVKDONJSA-N 222.284 2.577 0 40 BFAB Cc1cc(NC(=O)c2c(F)cccc2F)no1 2380894 ASUKHYBSPPHBKO-UHFFFAOYSA-N 238.193 2.514 0 40 BFAB O=C(O)Cc1csc(-c2cccc(F)c2)n1 3457154 UCYWUSDJNCOTDP-UHFFFAOYSA-N 237.255 2.576 0 40 BFAB COc1ccc2[nH]c(Cl)c(C=O)c2c1 3672868 KNFZVRVVEWNIDG-UHFFFAOYSA-N 209.632 2.642 0 40 BFAB O=C(CCc1nc2ccccc2s1)NC1CC1 6433434 LIGVOQZHVGICHA-UHFFFAOYSA-N 246.335 2.508 0 40 BFAB CC[C@H](C(=O)O)n1ccc2ccccc21 8702173 ASQUXDYPFQSVTF-SNVBAGLBSA-N 203.241 2.677 0 40 BFAB C[C@H](NC(=O)c1ccoc1)c1cccc(F)c1 12953618 JYZOMEWCGFZALQ-VIFPVBQESA-N 233.242 2.910 0 40 BFAB Cc1cccc(O[C@@H](C)C(=O)NC(C)(C)C)c1 14399404 VORRIFCRPWXNSK-NSHDSACASA-N 235.327 2.677 0 40 BFAB Cc1cc(O[C@@H]2CCNC2)cc(C)c1Cl 14632221 QQYBCDKBKZQOGN-SNVBAGLBSA-N 225.719 2.698 0 40 BFAB CCCOc1ccc(CNCC)cc1OC 20931029 TYBRCGHIVKFJKR-UHFFFAOYSA-N 223.316 2.594 0 40 BFAB Cc1nc[nH]c1CNc1ccc2c(c1)CCC2 23282687 NENZBBQCTZTAAR-UHFFFAOYSA-N 227.311 2.819 0 40 BFAB O=C(Cc1ccsc1)NOCc1ccccc1 25037565 GDBHVYUUCJQZSD-UHFFFAOYSA-N 247.319 2.539 0 40 BFAB CC1(C)[C@@H]2CC[C@@]1(Br)C(=O)C2 26441573 MVJVPLZNNRCART-HZGVNTEJSA-N 217.106 2.529 0 40 BFAB C[C@@H](NC(=O)c1ccccc1)c1cccnc1 32731627 DFKUWBZCRWBFBD-LLVKDONJSA-N 226.279 2.573 0 40 BFAB COc1ccc(C(=O)c2ccc(N)c(C)c2)cc1 33469227 CAGCDCVWIVLBKC-UHFFFAOYSA-N 241.290 2.817 0 40 BFAB Brc1cncc(-c2cccnc2)c1 34087118 NNNYHNUZYYNHCS-UHFFFAOYSA-N 235.084 2.906 0 40 BFAB CCCC[S@@](=O)CCSc1ccccn1 35327298 VXRKPWUPIZRQPX-HNNXBMFYSA-N 243.397 2.723 0 40 BFAB CN1CCC(c2c[nH]c3ccc(N)cc23)CC1 36467752 CKBJZDHVHHKARV-UHFFFAOYSA-N 229.327 2.559 0 40 BFAB in-vivo CCc1cccc(NC(=O)c2ccccc2)n1 39102633 XXJUFMCTUBXHHG-UHFFFAOYSA-N 226.279 2.896 0 40 BFAB Cn1ccnc1-c1ccc(Br)cc1 39150958 CUFBERNCIVESMY-UHFFFAOYSA-N 237.100 2.850 0 40 BFAB Cc1cc(C=O)c(C)cc1Br 39399805 ZTZFGJSUCDDCRK-UHFFFAOYSA-N 213.074 2.878 0 40 BFAB in-vitro CN(C1CCCCC1)[C@@H]1CCCC[C@H]1O 40457241 MFZQTEPQOCJIFK-CHWSQXEVSA-N 211.349 2.554 0 40 BFAB CC(C)(C)c1ccc(CN2CCC(O)CC2)cc1 40460718 GDWGLUXVCQCKFV-UHFFFAOYSA-N 247.382 2.941 0 40 BFAB COc1ccccc1SCC(C)(C)O 41030924 YOXWFXVDTZBYLD-UHFFFAOYSA-N 212.314 2.558 0 40 BFAB Clc1cc(-n2cnnc2)ccc1N1CCCC1 45958243 OIIVOFNVEIZOJS-UHFFFAOYSA-N 248.717 2.521 0 40 BFAB Fc1cccc(Cc2nsc(Cl)n2)c1 47218908 DOXHLJICKRGFIT-UHFFFAOYSA-N 228.679 2.921 0 40 BFAB in-vitro Cc1cc(C(=O)NC(C)(C)c2ccccc2)on1 49303784 XGWQPWPDELBGFH-UHFFFAOYSA-N 244.294 2.648 0 40 BFAB Cc1nc(N)cc(Nc2ccc(Cl)cc2)n1 49467273 XYDGSFSSNMJTFZ-UHFFFAOYSA-N 234.690 2.764 0 40 BFAB c1cc(-c2csc(-c3cnc[nH]3)n2)ccn1 57218555 VTYAGAKAEFRORU-UHFFFAOYSA-N 228.280 2.595 0 40 BFAB Cc1c(C(=O)N2CCC2)oc2c(C)cccc12 64700929 DCNNUDIEQCKXGO-UHFFFAOYSA-N 229.279 2.896 0 40 BFAB COC(=O)c1ccc(-c2ccc(O)cc2)cc1F 65340105 BFSJVOZOBDGNHV-UHFFFAOYSA-N 246.237 2.985 0 40 BFAB CCc1n[nH]c(C(F)(F)F)c1Br 66348829 ABNJLIKODABCNP-UHFFFAOYSA-N 243.026 2.753 0 40 BFAB N[C@H]1CCCc2cccc(Br)c21 71614687 ZSWFVACTSWMVQG-VIFPVBQESA-N 226.117 2.785 0 40 BFAB Brc1nc(-c2cccnc2)cs1 71863920 ITEDZSJFELWCCO-UHFFFAOYSA-N 241.113 2.968 0 40 BFAB CC(=O)N1CCCC[C@H]1c1ccc[nH]c1=S 72217096 BHMUBCYLARWKDK-NSHDSACASA-N 236.340 2.818 0 40 BFAB C[C@@H](O)Cc1ccc(Br)c(F)c1 72305104 XBTSZRSKEJIMAR-ZCFIWIBFSA-N 233.080 2.512 0 40 BFAB in-vitro COCCCN[C@H](C)c1ccn(C(C)C)c1 78406211 DTWJFRCJRRAZOF-GFCCVEGCSA-N 224.348 2.756 0 40 BFAB CCc1nc(NC)sc1Br 84493861 VQCIYLMRYNTCIJ-UHFFFAOYSA-N 221.123 2.510 0 40 BFAB CCC[C@](C)(O)c1ccc(OC)c(F)c1 86336404 HUEHQQMWXOSWOM-LBPRGKRZSA-N 212.264 2.842 0 40 BFAB Cc1cc2cc(CN)c(Cl)nc2cc1C 89261984 OLAXLYSZNQHZAS-UHFFFAOYSA-N 220.703 2.964 0 40 BFAB CCOC(=O)Cc1c[nH]c2cccc(Cl)c12 90471091 UJXLYVHBPVFJPK-UHFFFAOYSA-N 237.686 2.927 0 40 BFAB COc1cccc(CNC[C@H]2CCO[C@H](C)C2)c1 95457721 LVPSHDBNVJBBSE-OCCSQVGLSA-N 249.354 2.600 0 40 BFAB Cn1cc(N)c(Oc2ccc(F)cc2Cl)n1 95836604 ZAYWBNCJOGMBJD-UHFFFAOYSA-N 241.653 2.587 0 40 BFAB COC[C@H](C)SCc1ncccc1C 96494694 AZNQRTURCRTFJO-JTQLQIEISA-N 211.330 2.658 0 40 BFAB CCc1cnccc1C(=O)N(C)[C@H](C)C1CCC1 97110875 HVRBQHNLPHWMAV-LLVKDONJSA-N 246.354 2.905 0 40 BFAB COc1ncc(C)cc1NC(=O)[C@@H]1CC=CCC1 98016178 XOBSLQZQIFCLCO-LLVKDONJSA-N 246.310 2.693 0 40 BFAB NNc1cc(C(F)(F)F)c2ccccc2n1 148363841 XYHDZUVPGCDVND-UHFFFAOYSA-N 227.189 2.539 0 40 BFAB C=Cc1ccc(C[P@@](=O)(O)OC)cc1 219730230 XYVGPLGTYHRLNZ-UHFFFAOYSA-N 212.185 2.661 0 40 BFAB CN(C)C[C@H](c1ccccc1)C1(O)CCCC1 1671189 JDAFXCRSIQHYSL-CQSZACIVSA-N 233.355 2.637 0 40 BFAB S=c1[nH]cnc2oc(-c3ccccc3)nc12 1723123 NLARTQHMLZLCRW-UHFFFAOYSA-N 229.264 2.947 0 40 BFAB CCCCC[C@@H](C)NC(=O)C(F)(F)F 2030579 ZMOGSTKHQWMDST-SSDOTTSWSA-N 211.227 2.634 0 40 BFAB O=Cc1c(Cl)c(F)cc(C(=O)O)c1Cl 2540235 FUMMVQUBTLQQQF-UHFFFAOYSA-N 237.013 2.643 0 40 BFAB C[C@H]1C(=O)CCN(CCc2ccccc2)[C@@H]1C 4342753 QJYLHNRPTOYYNS-CHWSQXEVSA-N 231.339 2.529 0 40 BFAB COc1cc2cc[nH]c3ccnc(c1OC)c23 5141202 UERYGOYPBXIFQV-UHFFFAOYSA-N 228.251 2.733 0 40 BFAB COc1ccc2c(c1)CCc1cnc(=S)[nH]c1-2 5640368 PDISGGBCQGIDEI-UHFFFAOYSA-N 244.319 2.913 0 40 BFAB CCOP(=O)(OCC)O[C@@H](C)CC 6002815 XAHIQDKGLKWBKK-QMMMGPOBSA-N 210.210 2.983 0 40 BFAB CCC[C@H](Oc1ccccc1C)C(=O)O 8730621 CJMDTGPJSSIJPQ-NSHDSACASA-N 208.257 2.627 0 40 BFAB C/C=C/COC(=O)c1[nH]c(C)c(C(C)=O)c1C 9502167 GLQPCXNDZVYWAA-AATRIKPKSA-N 235.283 2.567 0 40 BFAB Cc1ncc2cc(Br)ccc2n1 32253944 PVVMJVJYMNEHMR-UHFFFAOYSA-N 223.073 2.701 0 40 BFAB CSCC(=O)Nc1c(C)cc(C)cc1C 32978757 SEHHVODKDRDYNP-UHFFFAOYSA-N 223.341 2.913 0 40 BFAB CN[C@@H](c1cccnc1)c1ccc(F)c(F)c1 35494402 WGYMWGKOPIUFDN-CYBMUJFWSA-N 234.249 2.669 0 40 BFAB in-vitro Cc1ccc(C(=O)NCCc2cccs2)o1 36661053 JQGKJIFMMMUGBL-UHFFFAOYSA-N 235.308 2.622 0 40 BFAB COCc1cccc(NCc2ccccn2)c1 36918097 YSFZKKCDSOTZDS-UHFFFAOYSA-N 228.295 2.840 0 40 BFAB C=CC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 37829930 MMMMAIPUEAXEGM-LBPRGKRZSA-N 229.323 3.000 0 40 BFAB COc1ccc(OCCN2CCC[C@H](C)C2)cc1 40161806 VGNMSCCVHRJXQH-ZDUSSCGKSA-N 249.354 2.806 0 40 BFAB CS[C@@H](C)C(=O)N[C@H](C)c1cccs1 40523442 IBDASKUUINCBKB-SFYZADRCSA-N 229.370 2.677 0 40 BFAB COc1ccccc1C(=O)CC(F)(F)F 42413143 JBCXLODHZJAKDB-UHFFFAOYSA-N 218.174 2.830 0 40 BFAB CCNC(=O)Nc1ccccc1SC 43468389 GHRBGSGCFKJVKP-UHFFFAOYSA-N 210.302 2.550 0 40 BFAB c1ccc2[nH]c(SCC3CCNCC3)nc2c1 43498095 YHTJLCBUCUVKGM-UHFFFAOYSA-N 247.367 2.655 0 40 BFAB Cc1cccc(C(=O)c2ccc(C)nc2)c1 45029055 WWJVJFOCXDJZQH-UHFFFAOYSA-N 211.264 2.929 0 40 BFAB NC(=O)c1cccc(COc2ccc(F)cc2)c1 47461174 GDUFBSMXZJLMKJ-UHFFFAOYSA-N 245.253 2.504 0 40 BFAB Cc1cccc(OCC(=O)N[C@@H](C)C(C)C)c1C 49783153 FLDUQNJDWXNQHZ-ZDUSSCGKSA-N 249.354 2.843 0 40 BFAB Cc1cc(Cl)cc(C(=O)C2CC2)c1O 52068507 TXBHJCDMPGLWGW-UHFFFAOYSA-N 210.660 2.947 0 40 BFAB O=C1C[C@@H]2CC[C@H](C1)N2C1CCCCC1 54602985 SGRWFADIJGNYFD-TXEJJXNPSA-N 207.317 2.515 0 40 BFAB CCOC(=O)c1[nH]cc(-c2ccccc2F)c1N 57519918 DRBFLUCTAMGUGN-UHFFFAOYSA-N 248.257 2.580 0 40 BFAB Cn1cccc1[C@@H]1CCCCCN1C(=O)C1CC1 58344746 LIRXIBVGSGWPQE-AWEZNQCLSA-N 246.354 2.879 0 40 BFAB Cc1cc(CNC(=O)Cc2cccs2)c(C)o1 70640336 SQWNPJSDWYLGIV-UHFFFAOYSA-N 249.335 2.817 0 40 BFAB CCN1CCC[C@H]1c1cccnc1Cl 72211491 OCBINOITUZXCET-JTQLQIEISA-N 210.708 2.892 0 40 BFAB COC(=O)c1ccc(Nc2ccccc2)nc1C 72224348 UDDLSMXOWHEQNV-UHFFFAOYSA-N 242.278 2.920 0 40 BFAB O=C1CCCN1Cc1ccccc1C(F)(F)F 72329911 FICPUAIUHGTTFZ-UHFFFAOYSA-N 243.228 2.828 0 40 BFAB Fc1cc(Cl)cnc1NCC1CC1 86710130 KGCHECIHVYIVRK-UHFFFAOYSA-N 200.644 2.696 0 40 BFAB Cc1nc(SCC(C)(C)O)n(C2CC2)c1C 95399015 RLZVNBFMCFMXLI-UHFFFAOYSA-N 240.372 2.698 0 40 BFAB CC(C)(CCCO)CNCc1ccsc1 95459070 VEPSSAKKQMXQMX-UHFFFAOYSA-N 227.373 2.636 0 40 BFAB CCOc1cc(F)cc(C(=O)C(F)(F)F)c1 95731942 CYTFBDCOWBBVGM-UHFFFAOYSA-N 236.164 2.969 0 40 BFAB O=[S@@]1OC2(CCCCC2)c2ccccc21 96194093 AIRNGUPTGBTTFR-HNNXBMFYSA-N 222.309 2.899 0 40 BFAB CCC(CC)CN1CCC(NC(C)C)CC1 97032319 GVLOVQDSGXYCMN-UHFFFAOYSA-N 226.408 2.885 0 40 BFAB Cc1cc(C(=O)Cn2ccnc2C(C)C)c(C)[nH]1 97236193 INDWZWZOBCUNSU-UHFFFAOYSA-N 245.326 2.834 0 40 BFAB C[C@@H]1CN2Cc3ccccc3-n3cccc3[C@@H]2O1 225377191 BCXYGBQBCMDSLZ-ABAIWWIYSA-N 240.306 2.710 0 40 BFAB Nc1cccc(CN2CCOc3ccccc32)c1 252515680 MNNYTRRURCVZGR-UHFFFAOYSA-N 240.306 2.668 0 40 BFAB CC(=O)C1(C(=O)c2cccc(Cl)c2)CC1 257197680 GIKUBZUWSRPRHU-UHFFFAOYSA-N 222.671 2.892 0 40 BFAB CCc1[nH]c2c(OC)cccc2c(=O)c1CC 685938757 WIAKUBZZTLQZAJ-UHFFFAOYSA-N 231.295 2.662 0 40 BFAB CC[C@@]1(c2cccc(O)c2)CCCCN(C)C1=O 158153 YFSJZMANJNLCOQ-HNNXBMFYSA-N 247.338 2.682 0 40 BFAB in-vitro CC1(C)CN(c2ccc(-c3ccno3)cc2)C1=O 1383244 VHGUIMDRRDIHJN-UHFFFAOYSA-N 242.278 2.714 0 40 BFAB CCOc1ccc(CSc2nc(C)n[nH]2)cc1 2480020 PKFAUZDDSWANHD-UHFFFAOYSA-N 249.339 2.804 0 40 BFAB CCCCC[C@@H]1[C@@H](O)CC[C@@H]1CC(=O)OC 4025425 DZWZEZICFCEJOT-WOPDTQHZSA-N 228.332 2.517 0 40 BFAB biogenic O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@H]1c1ccccc1 4769259 NNUSVTIAASPYFL-XQHKEYJVSA-N 216.280 2.901 0 40 BFAB OCc1cccc(Oc2ccc(O)cc2)c1 6092516 PJOAGCNCAOJNKZ-UHFFFAOYSA-N 216.236 2.677 0 40 BFAB in-vitro CC(C)C(=O)Nc1cccc2c1CCCN2 19401054 SUGZBZCTLQOSRG-UHFFFAOYSA-N 218.300 2.639 0 40 BFAB in-vitro Cc1ccc(O)c(C(=O)N2CCC[C@@H](C)C2)c1 19837462 IDMWNILZUZYJRQ-LLVKDONJSA-N 233.311 2.573 0 40 BFAB NCCCc1cccc(Cl)c1Cl 36204270 DKHTWIWQBPNSSB-UHFFFAOYSA-N 204.100 2.885 0 40 BFAB c1cncc(-c2cc(-c3cccnc3)[nH]n2)c1 36439149 YVTBIPNIMMAQLZ-UHFFFAOYSA-N 222.251 2.534 0 40 BFAB CC(C)N1CCC(O)(c2cccc(F)c2)CC1 37717039 CNTLPCAUZJHNOA-UHFFFAOYSA-N 237.318 2.518 0 40 BFAB CC1(C)C[C@@H](O)[C@@]23CC[C@H](O)[C@@](C)(CC[C@H]12)C3 39170928 BWXJQHJHGMZLBT-FMKNKJFCSA-N 238.371 2.725 0 40 BFAB biogenic Cc1ccccc1C1(CC(=O)O)CCOCC1 41262511 ZDKUMSSTJNFWQG-UHFFFAOYSA-N 234.295 2.518 0 40 BFAB CCCc1noc(CN2C[C@@H](C)C[C@H](C)C2)n1 42623154 IIGWTZVQRHPJRX-QWRGUYRKSA-N 237.347 2.500 0 40 BFAB C[C@H]1C[C@H]1c1ccc(CCC(=O)NCC2CC2)o1 43752490 WKDRNSSPNDPGLC-GXFFZTMASA-N 247.338 2.862 0 40 BFAB O=C(Nc1cccnc1)NC1CCCCCC1 48388439 QJLWDWGTXSFXKC-UHFFFAOYSA-N 233.315 2.926 0 40 BFAB Cc1cc(SCCO)nc2ccccc12 67949485 NMRRAEXBSIOURK-UHFFFAOYSA-N 219.309 2.628 0 40 BFAB Cc1nc(Cl)ccc1[C@@H]1CCCCN1 72217912 KFTHMVKCXINEPX-JTQLQIEISA-N 210.708 2.858 0 40 BFAB O=C(O)C1(c2cc(-c3cccs3)on2)CC1 72220585 ZPQYZMMGDOAQKT-UHFFFAOYSA-N 235.264 2.519 0 40 BFAB CCN(CC)c1ccc(C=O)c(S)c1 79141843 KMSUDCGPMKRZSC-UHFFFAOYSA-N 209.314 2.634 0 40 BFAB Cc1ccc2c(Br)ccnc2n1 84234048 DZQSDBPEWKTBEQ-UHFFFAOYSA-N 223.073 2.701 0 40 BFAB CC(C)(C)c1ccc(C(=O)CC2OCCO2)cc1 85652206 IGRIHKAAERSTQV-UHFFFAOYSA-N 248.322 2.930 0 40 BFAB C1=CC[C@H]2CN(c3nc(C4CC4)ns3)C[C@@H]2C1 89598202 XLIZNSJDJQDVLO-QWRGUYRKSA-N 247.367 2.818 0 40 BFAB Cc1cc(Br)cc2cc(CN)[nH]c12 95095260 DGARGIMGASMFNM-UHFFFAOYSA-N 239.116 2.698 0 40 BFAB Cc1ccc(NC(=O)c2ccccc2)cn1 95347736 GWNPFHPYBCTUMH-UHFFFAOYSA-N 212.252 2.642 0 40 BFAB CSC[C@H](C)N[C@H](C)c1ccc(C)o1 96477982 LAHYIEMXUJHGJZ-WCBMZHEXSA-N 213.346 2.990 0 40 BFAB Fc1cnc2ccc(Br)cc2n1 98177935 DBAREWVLONGICU-UHFFFAOYSA-N 227.036 2.531 0 40 BFAB NCC1(Cc2cccnc2)CCC(F)(F)CC1 98213571 OCRNZNRGXHRXHX-UHFFFAOYSA-N 240.297 2.779 0 40 BFAB CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H]1C2(F)F 100448648 HDWQLYOAWXSNNF-HTQZYQBOSA-N 233.258 2.651 0 40 BFAB C/C=C/[C@@H]1OC[C@@]2(CO)[C@@H](C)C=C(C)[C@H]1[C@@H]2C 105365124 RQCLRCULEFIVSO-JQIXAXGUSA-N 236.355 2.788 0 40 BFAB biogenic CC1=CCC[C@@H](C)[C@@H]1CNCc1ccnn1C 133986022 ZEEUMZFHRGXAFA-TZMCWYRMSA-N 233.359 2.502 0 40 BFAB NN[C@H]1C[C@H](c2ccccc2)Oc2ccccc21 198837222 SEIVILKLJUTCRY-DZGCQCFKSA-N 240.306 2.715 0 40 BFAB C=CC[C@H](CCc1ccccc1)C(=O)O 204355236 NJYLHSOZJYYBQF-GFCCVEGCSA-N 204.269 2.896 0 40 BFAB CCC(=O)n1c(C)c(C=O)c2ccccc21 216948655 VPKGWIWABZJUAO-UHFFFAOYSA-N 215.252 2.812 0 40 BFAB Cc1ccc([C@@H](O)c2cccc(N)c2)cc1C 226291575 FMCRGFJZXYWQDD-HNNXBMFYSA-N 227.307 2.967 0 40 BFAB Oc1nc2cc(Br)c(F)cc2s1 1857794820 VTZWWNXKTJRHFC-UHFFFAOYSA-N 248.076 2.904 0 40 BFAB Cc1ccc(O)c(NC(=O)CC(C)C)c1 383548 DCRZDUUASIXQMJ-UHFFFAOYSA-N 207.273 2.685 0 40 BFAB O=C(NC1CC1)c1cc2c(F)cccc2s1 1390443 BQAVWRCLWRVSTN-UHFFFAOYSA-N 235.283 2.933 0 40 BFAB CCOC(=O)CC(=O)c1ccccc1SC 1605926 ZPNPVRNEKGHIFQ-UHFFFAOYSA-N 238.308 2.544 0 40 BFAB O=C(O)[C@@H](c1ccccc1)c1ccccc1O 1641495 SXQMCNKPZIBQGQ-ZDUSSCGKSA-N 228.247 2.609 0 40 BFAB c1c[nH]c([C@H]2Nc3ccccc3CO2)c1 5488133 SWDRSDFYFSKCSE-LBPRGKRZSA-N 200.241 2.656 0 40 BFAB NCc1ccccc1N1CCCCCC1 11757308 FIKLVRRQXAJPTE-UHFFFAOYSA-N 204.317 2.526 0 40 BFAB in-vitro CCCCCC(=O)Nc1ccc(CC(=O)O)cc1 13440153 NFPLKGOZTIERFB-UHFFFAOYSA-N 249.310 2.833 0 40 BFAB Cc1ccc(C(=O)C[C@H](C)CC(=O)O)cc1 15441734 QLFLVSLHVOQLTB-JTQLQIEISA-N 220.268 2.679 0 40 BFAB COC(=O)c1cccc(-c2ccncc2)c1 16946089 OURDGCXMAZZEBC-UHFFFAOYSA-N 213.236 2.535 0 40 BFAB in-vitro O=C(C1CCC1)N1CCC[C@H]1c1ccccn1 19695505 HHVMHMXYTLMHCK-ZDUSSCGKSA-N 230.311 2.545 0 40 BFAB CCN(CC)Cc1ccc(O)c2ncccc12 19795837 QPWSNIQRSNHHSJ-UHFFFAOYSA-N 230.311 2.782 0 40 BFAB in-vitro Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1N 20194935 DRKJQJJQDGVINE-UHFFFAOYSA-N 244.269 2.969 0 40 BFAB C[C@@H]1CCCCN1C(=O)C[C@@H]1C=CCC1 32747824 DFGIGHKLPCHAPB-VXGBXAGGSA-N 207.317 2.744 0 40 BFAB Fc1ccc(OCC[C@@H]2CCCCN2)c(F)c1 34972598 GUMZLSNDDOJXOB-NSHDSACASA-N 241.281 2.876 0 40 BFAB in-vitro COc1ccc(F)cc1[C@@H](O)c1ccsc1 40258466 COWBNNDXIZTRSC-LBPRGKRZSA-N 238.283 2.978 0 40 BFAB C[C@@H](NC(=O)Nc1ccccn1)c1ccccc1 42846935 TVOPZMXUONKZDC-LLVKDONJSA-N 241.294 2.964 0 40 BFAB CNC(=O)/C=C/c1ccc(Cl)cc1Cl 45164017 VMCIHDAWRBHCPK-HWKANZROSA-N 230.094 2.753 0 40 BFAB Ic1ccc2c(c1)CCC2 54959958 BDFQJOIAYXQHQR-UHFFFAOYSA-N 244.075 2.780 0 40 BFAB in-vitro c1csc([C@H]2NCCOc3ccccc32)c1 57788914 AHTOAEDPRPJHEA-ZDUSSCGKSA-N 231.320 2.820 0 40 BFAB Clc1ccc(COC[C@@H]2CO2)c(Cl)c1 59469826 CKNSBNWOHLVHEM-SECBINFHSA-N 233.094 2.909 0 40 BFAB Cc1ccccc1-c1ccnc(C(=O)O)c1 65347042 ZXFMGZZZDLAMEX-UHFFFAOYSA-N 213.236 2.755 0 40 BFAB CCOc1ccc(/C=C/[C@H](C)NC)cc1 70453318 HOFPANJSJXCCBR-QRGHLMKCSA-N 205.301 2.706 0 40 BFAB COCCCSc1nnc(C2CC2)s1 74795069 MFQUMRPXRFHVDH-UHFFFAOYSA-N 230.358 2.544 0 40 BFAB C[C@@H](NCc1ccccc1)O[C@H]1CCCCO1 75629616 UBAVGIJCQUFVAA-JSGCOSHPSA-N 235.327 2.665 0 40 BFAB CCCN(CC(=O)O)c1cccc(C)c1C 76610622 NDNVJACFHFHZBC-UHFFFAOYSA-N 221.300 2.604 0 40 BFAB C[C@H](N)c1cccc(C(F)(F)F)c1F 83592951 DPNRVWDJFMNADR-YFKPBYRVSA-N 207.170 2.864 0 40 BFAB O=C(c1cscn1)N1CCC[C@@H]2CCC[C@H]21 87772038 HPPJLIVZOORYBH-GXSJLCMTSA-N 236.340 2.548 0 40 BFAB Cc1ccc(NC(C)C)c(C(=O)N(C)C)c1 88533597 NWMRCDCYZKHARF-UHFFFAOYSA-N 220.316 2.517 0 40 BFAB CC(=O)Nc1cnc(-c2ccccc2)s1 91773809 WMCUXARAAOFBKW-UHFFFAOYSA-N 218.281 2.769 0 40 BFAB Cc1cc(C(=O)N2C[C@@H]3CCC[C@H]3C2)oc1C 95425849 IGEQTJKMPXMEPG-RYUDHWBXSA-N 233.311 2.769 0 40 BFAB COC(=O)c1cc(F)c(C(F)(F)F)c(F)c1 95704708 GWVNQRONCYSVLD-UHFFFAOYSA-N 240.127 2.770 0 40 BFAB Fc1ccc(Br)cc1-n1ccnc1 95915642 BBTAHCQEABZCRU-UHFFFAOYSA-N 241.063 2.774 0 40 BFAB C[C@@H](N[C@]1(C)CCOC1)c1ccccc1 97038583 APECCHLCVFWNHX-DGCLKSJQSA-N 205.301 2.516 0 40 BFAB CCOc1cc2c(cc1/C=C/C(=O)O)CCC2 98086249 KIFLXQVUQSCYAS-VOTSOKGWSA-N 232.279 2.672 0 40 BFAB OC12CC3C[C@@H](C1)C(NC1CCCCC1)[C@@H](C3)C2 100208508 ZOYWVRYFHBNIDA-IKZJNQNNSA-N 249.398 2.848 0 40 BFAB COc1ccc(-c2ccc(C=O)o2)c(OC)c1 102300881 QDJNCIHFRMHXIP-UHFFFAOYSA-N 232.235 2.776 0 40 BFAB CCN(CC)[C@H](Cc1ccc(C)cc1C)C(=O)O 107843831 QNKWZEPFXXVOJQ-CQSZACIVSA-N 249.354 2.641 0 40 BFAB COc1cccc(C2=CC[C@H](C(=O)O)CC2)c1 108259726 ZPMNAAHQHAPIPR-NSHDSACASA-N 232.279 2.963 0 40 BFAB O=C(c1cc2ccccc2[nH]1)N1CC=CCC1 166021144 SDCDWSNOPHAHDH-UHFFFAOYSA-N 226.279 2.570 0 40 BFAB CC1(C)[C@H](O)[C@@]2(Br)CC[C@@]1(C)C2 216528414 NDKVCUVWTLQJQW-UJNFCWOMSA-N 233.149 2.711 0 40 BFAB CCCc1ccc(C(=O)[C@H]2C[C@@H]2C(=O)OC)cc1 217818144 SYKHYDDYXAVDJV-STQMWFEESA-N 246.306 2.631 0 40 BFAB CC[C@@H](C(=O)O)N(CC)c1ccccc1F 224986706 RALDJKRDKODTFJ-JTQLQIEISA-N 225.263 2.515 0 40 BFAB C[C@@H](c1ccccc1)N1CCN[C@@H]2CCC[C@@H]21 225718167 GLGPYQCXXCTFDK-CFVMTHIKSA-N 230.355 2.574 0 40 BFAB CCn1nc(C)cc1NCc1ccc(OC)cc1 256051587 JTMSUGBTIQLYPU-UHFFFAOYSA-N 245.326 2.832 0 40 BFAB Cc1nccc(C2(C)CCN(CC3CC3)CC2)n1 257282634 OUOZXUQQYYBPEL-UHFFFAOYSA-N 245.370 2.549 0 40 BFAB Cc1ccc(C(=O)N2Cc3cccnc3C2)s1 549731895 YOEJQCOCXXIQGK-UHFFFAOYSA-N 244.319 2.608 0 40 BFAB c1ccc2sc(OC3CCOCC3)nc2c1 585654235 FPVSHYOBAMBJDP-UHFFFAOYSA-N 235.308 2.854 0 40 BFAB O=C(c1ccoc1)N1CCC2(CC1)CC2(F)F 650601397 LUASDMCSCAYUJZ-UHFFFAOYSA-N 241.237 2.541 0 40 BFAB c1csc(COc2ccnc3c2CCCC3)n1 655702417 WMRAMYKKFPWKOW-UHFFFAOYSA-N 246.335 2.996 0 40 BFAB CCc1cc(CO)c2cccc(C)c2n1 685937736 YTQILFILMBKHFI-UHFFFAOYSA-N 201.269 2.598 0 40 BFAB CCOC(=O)CNc1cc(Cl)cc(Cl)c1 103745 OYHDHOSMXNFGDT-UHFFFAOYSA-N 248.109 2.968 0 40 BFAB CCc1ccccc1OCC(=O)NC(C)(C)C 131470 RPYMNUOVFXNTAH-UHFFFAOYSA-N 235.327 2.543 0 40 BFAB O=C(O)CCc1ccc2cc(O)ccc2c1 1690235 NHGXZNWPADXVOA-UHFFFAOYSA-N 216.236 2.563 0 40 BFAB biogenic,in-vitro CCCC[C@](CC)(CO)[C@H](O)c1ccco1 1697036 NQVJBEBKSHDOLT-CHWSQXEVSA-N 226.316 2.892 0 40 BFAB Nc1ccc2c(c1)-c1ccc(F)cc1C2=O 1699696 AYSCNZVRTTWOHG-UHFFFAOYSA-N 213.211 2.619 0 40 BFAB NCc1cccc(OCCOc2ccccc2)c1 1749257 SHKYVJAOUQZWJD-UHFFFAOYSA-N 243.306 2.603 0 40 BFAB CO[C@@H](C)CCOC(=O)c1cccc(C)c1 1768523 DTPVXJPKOUXMGF-NSHDSACASA-N 222.284 2.577 0 40 BFAB CCCCCC[C@H]1N=C(C)O[C@H]1C(=O)OCC 2077682 YTAGBHAZHZJPHG-VXGBXAGGSA-N 241.331 2.706 0 40 BFAB O=C(CCCN1CCCC1)c1ccsc1 3625688 VMIFGFHFUXYMEC-UHFFFAOYSA-N 223.341 2.807 0 40 BFAB C1CCc2sc(N3CCCC3)nc2C1 6361422 RTWHONGSVPSINT-UHFFFAOYSA-N 208.330 2.622 0 40 BFAB O=C(NOCc1ccccc1)NC1CCCCC1 6864215 HDKQJASWOJOJBH-UHFFFAOYSA-N 248.326 2.750 0 40 BFAB CCn1c(SC)nnc1-c1ccccc1 8089980 YGMJAZFBBZFCOF-UHFFFAOYSA-N 219.313 2.687 0 40 BFAB O=C1C[C@@H](c2ccc(O)cc2)c2sccc2N1 12429138 LOWSSRUEFZLENM-JTQLQIEISA-N 245.303 2.928 0 40 BFAB Cc1occc1C(=O)NCC1CCCCC1 12916910 RHNBYEBTVKRBDS-UHFFFAOYSA-N 221.300 2.898 0 40 BFAB Clc1cccc(O[C@H]2CCNC2)c1Cl 14632096 HWIJGDCELKUNLE-ZETCQYMHSA-N 232.110 2.734 0 40 BFAB CSc1ccc(Br)cc1N 19974322 SYCSDMMOTOYBQS-UHFFFAOYSA-N 218.119 2.753 0 40 BFAB COc1ccc(CN[C@H](C)c2ccccc2)cn1 20186127 DXKOCGRDLQKLEC-GFCCVEGCSA-N 242.322 2.941 0 40 BFAB NCCc1ccc(OC2CCCC2)cc1 22161372 CEVAPJKDPCEJQT-UHFFFAOYSA-N 205.301 2.509 0 40 BFAB in-vitro CC1=CC2=NC(C)=CC3=NC(C)=CC(=N1)C23 24717542 VSLZKXDVFXJMLR-UHFFFAOYSA-N 211.268 2.678 0 40 BFAB N=C(N)C(c1ccccc1)c1ccccc1 26897995 CLCMSGXEVLGRNG-UHFFFAOYSA-N 210.280 2.754 0 40 BFAB CC[C@H]1CC[C@@H](C)N(COC(=S)S)C1 31923261 WKFBJZPCQAURFP-BDAKNGLRSA-N 233.402 2.686 0 40 BFAB O=C(O)/C=C\c1ccc(OCCCF)cc1 33376874 OYMMKASGSUZMPT-DAXSKMNVSA-N 224.231 2.523 0 40 BFAB Cc1nn(-c2cccc(F)c2)c(Cl)c1C=O 35933430 VTEVZGQHBRSTIX-UHFFFAOYSA-N 238.649 2.786 0 40 BFAB COc1ccc(C(=O)C2CCC2)c(OC)c1 36160180 WZDLMGMXTFWUTK-UHFFFAOYSA-N 220.268 2.687 0 40 BFAB CCC(=O)Nc1ccc(C)c2ncccc12 41157053 MWWBUMMJACBWEK-UHFFFAOYSA-N 214.268 2.892 0 40 BFAB CC(C)NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1 42737238 HLUAUKHBIWLBND-UHFFFAOYSA-N 249.358 2.654 0 40 BFAB CCOC(=O)CCCC(=O)c1cccs1 49820439 CRFLJDDWCIWTNC-UHFFFAOYSA-N 226.297 2.664 0 40 BFAB Cc1cc(C(=O)N2CCC[C@H]2C2CCCC2)no1 56033346 PBQUKDPXELXDJU-ZDUSSCGKSA-N 248.326 2.778 0 40 BFAB CC(C)(C)N(Cc1ccc(N)cc1)C(=O)O 59549952 VMWRYRMBKMEBMW-UHFFFAOYSA-N 222.288 2.547 0 40 BFAB C[C@H](NC1(CN)CCCC1)c1ccccc1 60279991 YANPMOTVPRGJPN-LBPRGKRZSA-N 218.344 2.609 0 40 BFAB in-vitro O=C(O)c1ccc(-c2cc(F)cc(F)c2)nc1 65347600 OOXNUWVIFIVLMY-UHFFFAOYSA-N 235.189 2.725 0 40 BFAB Cc1cnn([C@H](C)[C@H](C)NC2CCCC2)c1 69459580 WOMVUBFQIYZZAD-NWDGAFQWSA-N 221.348 2.673 0 40 BFAB C[C@H](NCCc1ccccc1)[C@H](C)n1cccn1 69967312 OPPUIAAYSRLHFZ-KBPBESRZSA-N 243.354 2.665 0 40 BFAB CC(C)c1n[nH]c(C(=O)O)c1Cc1ccccc1 72220408 VDMQUNANALSTTE-UHFFFAOYSA-N 244.294 2.822 0 40 BFAB CCCN(CCC)c1ncc(C(=O)O)cc1C 72222243 CRJGAUQDAKBKFV-UHFFFAOYSA-N 236.315 2.715 0 40 BFAB Cc1cc([C@H](C)O)cnc1NC(C)(C)C 72222927 CGAHQNAUGHCJHM-VIFPVBQESA-N 208.305 2.654 0 40 BFAB CC(C)COc1ccc2ncc(CO)cc2c1 72226653 ASAPWKRYRWEXAA-UHFFFAOYSA-N 231.295 2.762 0 40 BFAB COC(=O)c1c(C)cc(OC(C)C)cc1C 82723368 OKVGTHOWUVWMAR-UHFFFAOYSA-N 222.284 2.877 0 40 BFAB O=C(O)c1cnc(Nc2ccc(F)cc2)s1 87663724 ASEPYNUZTFPXIL-UHFFFAOYSA-N 238.243 2.724 0 40 BFAB C[C@H](CC(=O)N1CCCC1)c1ccccc1F 89894513 OJQUREHDXNSWKF-LLVKDONJSA-N 235.302 2.942 0 40 BFAB O=C(O)c1ccc2c(-c3nccs3)noc2c1 91304348 ZDEDEMQCBZTEDM-UHFFFAOYSA-N 246.247 2.650 0 40 BFAB in-vitro Clc1csc(N2CCCCC2)n1 95643067 UZPNADZDGCKGHV-UHFFFAOYSA-N 202.710 2.787 0 40 BFAB C/C(=C\C(N)=O)c1cccc(C(F)(F)F)c1 98013855 JRCVCLRUMWCQAP-FNORWQNLSA-N 229.201 2.594 0 40 BFAB CCC1=NN(c2ccc(Cl)cc2)C(=O)C1 100407006 XVRHEJFKBYAOTG-UHFFFAOYSA-N 222.675 2.843 0 40 BFAB CCCCC[S@](=O)c1ccc(C)cn1 191183547 OKLSCJJWLCVDKG-AWEZNQCLSA-N 211.330 2.688 0 40 BFAB CCCO[C@@H](Cc1ccc(CC)cc1)C(=O)O 225044373 SQRZKEDATNHPEC-ZDUSSCGKSA-N 236.311 2.671 0 40 BFAB CC(C)C[C@H](CO)N[C@@H]1CCCC[C@H]1C 238854572 OKNJQBIBUICFJW-JHJVBQTASA-N 213.365 2.562 0 40 BFAB Cc1nc(N2CCCCC2)cc(C(F)(F)F)n1 642225126 WYBORRZLVRAXHJ-UHFFFAOYSA-N 245.248 2.794 0 40 BFAB CCOC(=O)[C@H]1C[C@@H]1c1ccc(C)cc1C 1857793773 NNVGKODKMOCMHN-OLZOCXBDSA-N 218.296 2.970 0 40 BFAB OCc1cc([C@H]2CCCCN2)ccc1Cl 1888857069 FSHWXUGGNSAQJO-GFCCVEGCSA-N 225.719 2.647 0 40 BFAB Cc1ccc([C@@]2(O)C[C@H](C)N(C)C[C@@H]2C)cc1 51420 CFZMSXAIXMGEAH-KCQAQPDRSA-N 233.355 2.543 0 40 BFAB CCCC(=O)c1cc2ccccc2oc1=O 91817 HMTUJOLTTSWOHC-UHFFFAOYSA-N 216.236 2.776 0 40 BFAB CCCCOc1ccccc1C(=O)OC 1693694 BUKSCRKGJVCWGE-UHFFFAOYSA-N 208.257 2.652 0 40 BFAB CC1(C)CN(Cc2ccc(Cl)cc2)C1=O 1742592 ULKTVYWOSPMNCQ-UHFFFAOYSA-N 223.703 2.708 0 40 BFAB CCOc1ccc2oc(C(=O)O)c(C)c2c1 3324547 SYABQXBVFVPRJY-UHFFFAOYSA-N 220.224 2.838 0 40 BFAB in-vitro Nc1nnc(SC2CCCCC2)s1 4129478 FXZOOFNCILJCRG-UHFFFAOYSA-N 215.347 2.545 0 40 BFAB Cc1cc(Br)c(C)c(C=O)c1O 4299095 YZLWQJGFSUADDC-UHFFFAOYSA-N 229.073 2.584 0 40 BFAB CCC[C@@H](C)NC(=O)Cc1ccc(OC)cc1 5793847 DEILSYJGJJKBOL-LLVKDONJSA-N 235.327 2.543 0 40 BFAB O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CC=CCC1 7597968 RVHJYAWBGREYDM-SNVBAGLBSA-N 245.278 2.710 0 40 BFAB COc1ccc(OC)c2c(C)ccnc12 13223275 NTCXGWIDEYATBA-UHFFFAOYSA-N 203.241 2.560 0 40 BFAB O=C(O)CCCOc1ccc(F)cc1Cl 13609368 WFRWIBALAINYRU-UHFFFAOYSA-N 232.638 2.723 0 40 BFAB Cc1ccc(CC(=O)NC(C)(C)C)cc1C 13680896 FPSGDBNMRNDNRN-UHFFFAOYSA-N 219.328 2.761 0 40 BFAB Cc1cc(NC(=O)C2CC2)n(-c2ccccc2)n1 18191984 RVMAOBFLHDZNPI-UHFFFAOYSA-N 241.294 2.529 0 40 BFAB Fc1cccc(Cl)c1C1N2CCCCN12 19169004 IHRWHEYFRNMAMJ-UHFFFAOYSA-N 226.682 2.804 0 40 BFAB COc1cccc([C@@H](N)c2cccs2)c1 19842117 PLBFYRQJEVRKKZ-GFCCVEGCSA-N 219.309 2.805 0 40 BFAB NCc1ccc(Cn2cnc3ccccc32)cc1 22210428 PRJBJHDHYCIYQH-UHFFFAOYSA-N 237.306 2.543 0 40 BFAB O[C@H](Cc1nc2ccccc2[nH]1)c1cccs1 24060104 VVNWMABUIGWULI-LLVKDONJSA-N 244.319 2.901 0 40 BFAB Cc1cccc(C(=O)N[C@H]2CCCC[C@@H]2C)n1 24449515 TXRSGYURZUTBES-JQWIXIFHSA-N 232.327 2.699 0 40 BFAB CNC(=O)C1(c2ccc(Cl)cc2)CCC1 32999444 DGEKFEVJWIKUMC-UHFFFAOYSA-N 223.703 2.508 0 40 BFAB C[C@H]1C[C@@H](C)CN(c2nsnc2Cl)C1 35232160 NFGDQBJTXAKMLW-KNVOCYPGSA-N 231.752 2.674 0 40 BFAB CC1(C)CCC[C@]2(C)C=C(C(=O)O)[C@@H](O)C[C@H]12 35271632 LQZXAHKUYJVAAR-MISXGVKJSA-N 238.327 2.595 0 40 BFAB biogenic,in-vitro Cc1noc(C)c1CN1CCCC[C@@H]1C 40460805 LLRJRUUABDIDCG-VIFPVBQESA-N 208.305 2.666 0 40 BFAB O=Cc1cnc(Cc2cccc(F)c2)s1 40996423 NRDDFLAMYJKBGY-UHFFFAOYSA-N 221.256 2.686 0 40 BFAB O=C(O)c1ccc(Cl)cc1OC(F)F 42392668 HGASHYZSZYKNEH-UHFFFAOYSA-N 222.574 2.640 0 40 BFAB CCOc1cccc(OCCC2CCNCC2)c1 42773646 VVJCZXBAGDKOQY-UHFFFAOYSA-N 249.354 2.854 0 40 BFAB CS[C@H](C)C(=O)N(C)Cc1cccc(F)c1 42823576 FMXCBIDTHKJQRL-SECBINFHSA-N 241.331 2.536 0 40 BFAB FC(F)(F)c1ccc(OC[C@H]2CCCN2)cc1 43496641 PRQPILYRTPXEJS-SNVBAGLBSA-N 245.244 2.836 0 40 BFAB Cc1cccc(NC(=O)c2cc(Cl)c[nH]2)n1 44891346 JSEAAUICTOUBNO-UHFFFAOYSA-N 235.674 2.624 0 40 BFAB Cc1cc(N)ncc1[C@H]1CCCN1CC(C)C 72218504 PZENMRJAGLLPEQ-CYBMUJFWSA-N 233.359 2.765 0 40 BFAB CCCOc1ccc2ncc(CO)cc2c1 72226651 BFEVPRGUQPWBPM-UHFFFAOYSA-N 217.268 2.516 0 40 BFAB Cc1ncccc1NC(=O)Cc1ccc(F)cc1 73347584 APPHQWGDTWLUTO-UHFFFAOYSA-N 244.269 2.710 0 40 BFAB CCN(CC(=O)O)c1ccc(C)c(Cl)c1 76612892 CJPXZJCLKMIEEQ-UHFFFAOYSA-N 227.691 2.559 0 40 BFAB Cc1c(C(=O)O)n(C)c2cc(Cl)ccc12 82600100 CKMFYWFCDWWHBJ-UHFFFAOYSA-N 223.659 2.838 0 40 BFAB CC(C)(C)OC(=O)Nc1ccc(C=O)c(O)c1 84324863 WSRXACNIQCOCDJ-UHFFFAOYSA-N 237.255 2.552 0 40 BFAB c1csc(-c2noc([C@@H]3CCCOC3)n2)c1 84445022 KOFZMCNDWKWBFB-MRVPVSSYSA-N 236.296 2.692 0 40 BFAB CCc1ccccc1-c1nc(C=O)co1 90415686 NHPAXCCBOOJHRE-UHFFFAOYSA-N 201.225 2.717 0 40 BFAB COc1ccc2c(c1)C[C@@H](NCCCF)CC2 90522221 DHSTXHAHLRDNQH-ZDUSSCGKSA-N 237.318 2.502 0 40 BFAB Cc1ccc(F)c(CNc2nncs2)c1 97045237 NMHGDAHTAKSRDE-UHFFFAOYSA-N 223.276 2.598 0 40 BFAB CCOC(=O)[C@@H]1CCc2sc(C3CC3)nc21 131810681 LVACHEIDNCEJKP-MRVPVSSYSA-N 237.324 2.613 0 40 BFAB CN(C)C1CCC(NCc2ccccc2)CC1 145067938 JWBRDCJFJIFYDT-UHFFFAOYSA-N 232.371 2.649 0 40 BFAB Cc1cccnc1NC(=S)NCCC(C)C 225381195 XTCWDVPQKVZJCK-UHFFFAOYSA-N 237.372 2.723 0 40 BFAB FC1(c2cccc(Br)c2)COC1 307127943 OEKXKWOTBGTWPG-UHFFFAOYSA-N 231.064 2.644 0 40 BFAB Cc1cc(-c2ccncc2)n([C@@H]2CCSC2)n1 634627438 CNVQQEDXSNSKSZ-GFCCVEGCSA-N 245.351 2.932 0 40 BFAB CC(C)Oc1ccnc2ccc(N)cc12 685937892 ZKLOTKWHLOTTFP-UHFFFAOYSA-N 202.257 2.604 0 40 BFAB Cc1c(C2CC2)[nH]c2c(F)cccc2c1=O 685938816 ZMRRUSJKYITCJW-UHFFFAOYSA-N 217.243 2.853 0 40 BFAB CC(C)(C)c1cc2ncnc(C(=O)O)c2s1 953111070 KOOKNEIMTKIQAM-UHFFFAOYSA-N 236.296 2.687 0 40 BFAB CN(c1ncnc2cc(F)ccc12)C1CCC1 1888853361 LUYOHYSQBDWFIV-UHFFFAOYSA-N 231.274 2.758 0 40 BFAB COC(=O)Cc1nc(-c2ccccc2)sc1C 134784 IGRGQWSVDTYHID-UHFFFAOYSA-N 247.319 2.834 0 40 BFAB O=C1N[C@H](c2ccccc2F)Nc2ccccc21 290879 KRRBJLBTJZWEEX-CYBMUJFWSA-N 242.253 2.680 0 40 BFAB CCOc1ccccc1NC(=O)c1ccccn1 484542 JUYLWOZZWPMZCA-UHFFFAOYSA-N 242.278 2.733 0 40 BFAB COc1ccc(Cc2ccc(CO)cc2)cc1 1562015 JRGMNXBMYBHKOP-UHFFFAOYSA-N 228.291 2.778 0 40 BFAB O=S(=O)(O)c1cccc(Nc2ccccc2)c1 2539832 GFLHRQFLUBNTML-UHFFFAOYSA-N 249.291 2.677 0 40 BFAB O=c1c2ccccc2sn1-c1nccs1 3206019 VNXHYDLIKDKGJP-UHFFFAOYSA-N 234.305 2.509 0 40 BFAB CC1=C(C)CC(CO)(CO)[C@H](c2ccccc2)C1 4983806 YYAFEIOZTBILRG-HNNXBMFYSA-N 246.350 2.871 0 40 BFAB CC(C)(N)CO[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C 6394582 ZTZRQPXJOXZJCX-GYSYKLTISA-N 225.376 2.955 0 40 BFAB in-vitro O=C(Cc1cccc(F)c1)NCc1cccs1 7724393 XCBIIZYDMXEEBF-UHFFFAOYSA-N 249.310 2.746 0 40 BFAB O=C(NCc1ccccc1F)[C@@H]1CC=CCC1 9218188 IFTKJLBABJJPFT-LLVKDONJSA-N 233.286 2.798 0 40 BFAB CCCOc1cc(C)nc(-c2ccccc2O)n1 13125529 QFUQJVVCVVBDIA-UHFFFAOYSA-N 244.294 2.946 0 40 BFAB CN(Cc1ccccc1N)c1ccccc1 19264448 BBYPKUHVITZYQF-UHFFFAOYSA-N 212.296 2.905 0 40 BFAB in-vitro CC(=O)c1ccc(Sc2nccn2C)cc1 19871684 FSTZRCRJGQHNFV-UHFFFAOYSA-N 232.308 2.774 0 40 BFAB C[C@H]1C[C@H](C)CN(Cc2ccccc2CN)C1 20284066 DFPKKVOOAFAELB-STQMWFEESA-N 232.371 2.623 0 40 BFAB Nc1ncc(C(F)(F)F)cc1C(F)(F)F 20432167 LNCBHXDODPHVED-UHFFFAOYSA-N 230.111 2.701 0 40 BFAB CCCCNC[C@@H]1CCCCN1C(C)C 22073526 FEGOLHOTBCMJKN-ZDUSSCGKSA-N 212.381 2.639 0 40 BFAB Cc1ccsc1CNC(=O)c1ccco1 25678432 CVDQROXFTFVYCP-UHFFFAOYSA-N 221.281 2.580 0 40 BFAB CC1CCN(C(=O)c2cc(F)ccc2F)CC1 28211036 OCESQFWPWCSRDB-UHFFFAOYSA-N 239.265 2.837 0 40 BFAB Cc1cc(C(=O)NCCC(C)C)c(C)o1 28225992 WFVOOFIZAMMZOJ-UHFFFAOYSA-N 209.289 2.672 0 40 BFAB COc1ccc(/C=C\[C@]2(C)OC[C@@H](C)O2)cc1 31628070 KMRIAENCHGJSFE-IJTORHSASA-N 234.295 2.860 0 40 BFAB COCCNCc1ccccc1OC1CCCC1 32104770 IDHNWDQPROJZHX-UHFFFAOYSA-N 249.354 2.744 0 40 BFAB O=C(O)CCc1nc(-c2ccccc2)cs1 33464892 ZBGACYUBSYIFHO-UHFFFAOYSA-N 233.292 2.827 0 40 BFAB C[C@H]1C[C@H]1c1cc(N)n(-c2ccccc2)n1 36938407 ZWVAZCFZYJSBEE-GXSJLCMTSA-N 213.284 2.578 0 40 BFAB in-vitro CN(C)[C@@H](CN)c1cc(Cl)cc(Cl)c1 37424801 SZYDCMVJDVIPMS-JTQLQIEISA-N 233.142 2.555 0 40 BFAB CCOC(Cc1ccccc1)(OCC)OCC 44589417 VFBUQMFVSOSLNV-UHFFFAOYSA-N 238.327 2.992 0 40 BFAB COc1ccc(C(=O)c2ncccc2C)cc1 45028654 QLWHCWTVJNBAPY-UHFFFAOYSA-N 227.263 2.630 0 40 BFAB C[C@@H]1CN(C(=O)CCC2CCCC2)[C@H](C)CO1 45446161 NXIITIGPLXYQIE-VXGBXAGGSA-N 239.359 2.593 0 40 BFAB Cc1cc(C)cc(N(C)CCCC(=O)O)c1 49987447 BLEMLTSPROSCEJ-UHFFFAOYSA-N 221.300 2.604 0 40 BFAB Nc1cccc(CC[C@@H](O)c2ccccc2)c1 57218488 UVHBKKGZWQTGLV-OAHLLOKOSA-N 227.307 2.935 0 40 BFAB in-vitro CCCCS(=O)(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 57526585 YKMHRJYVUGTDFJ-GRYCIOLGSA-N 247.404 2.531 0 40 BFAB CC(=O)OCC(=O)c1ccc(CC(C)C)cc1 60774420 YWKSWVZJGJHMDP-UHFFFAOYSA-N 234.295 2.631 0 40 BFAB Cc1c(N)cccc1-c1nc(-c2ccco2)no1 61857392 KZPJZOYMYHQENB-UHFFFAOYSA-N 241.250 2.887 0 40 BFAB O=Cc1cc(NNc2ccccc2)ccc1O 67172482 IMTFXUXRHDYOGB-UHFFFAOYSA-N 228.251 2.644 0 40 BFAB CCCCNC(=O)c1cc(OC)c2ccoc2c1 72240065 WHEKVWXZDWZXIN-UHFFFAOYSA-N 247.294 2.971 0 40 BFAB CC[C@H]1CN(C(=O)NC)CC[C@@H]1c1ccccc1 74798958 URJODAYDQPAKPV-JSGCOSHPSA-N 246.354 2.842 0 40 BFAB Fc1ccc(F)c(CN[C@@H]2CCCSC2)c1 75183198 ICZBYMDECVRECB-LLVKDONJSA-N 243.322 2.950 0 40 BFAB CCOC(=O)c1ccc(N)c2ccccc12 75625056 PNCJAXRVSPZVNF-UHFFFAOYSA-N 215.252 2.599 0 40 BFAB Clc1ccc(Br)c2c1CNCC2 85221607 PMZFFXIEAZJLMQ-UHFFFAOYSA-N 246.535 2.748 0 40 BFAB in-vitro CSCc1nccn1Cc1ccccc1 89493792 VPKLBVODSCTTDJ-UHFFFAOYSA-N 218.325 2.794 0 40 BFAB CC(=O)CCCC(=O)c1ccncc1Cl 91677812 JNUYIDVWPCEDAT-UHFFFAOYSA-N 225.675 2.677 0 40 BFAB CSc1ccc(C2([C@H](C)O)CC2)cc1 95739123 LXTXBKFIDKFRGV-VIFPVBQESA-N 208.326 2.821 0 40 BFAB CCN(CC)c1ccc(C(C)(C)O)cc1 95739212 AAMRZFPVCLWCMP-UHFFFAOYSA-N 207.317 2.760 0 40 BFAB CCC(CC)[C@@H]1CCN(CCCCO)C1 96414995 VVANZIMZTKAJEW-CYBMUJFWSA-N 213.365 2.517 0 40 BFAB O=C(NCCc1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2 102065380 YIFVFWQJUWDRFL-SOUVJXGZSA-N 243.350 2.782 0 40 BFAB Cc1ccc([C@H](C)NN)c2ccccc12 199534902 BXVHVPWNWUEQNM-JTQLQIEISA-N 200.285 2.673 0 40 BFAB CC(C)=CCCNC(=O)NC1CCCC1 225619065 VSTZCIPYBFQKPZ-UHFFFAOYSA-N 210.321 2.585 0 40 BFAB CC[C@@H](C)n1nccc1CNc1cn(C)nc1C 256050324 DPRUVQPSAIDGCX-SNVBAGLBSA-N 247.346 2.508 0 40 BFAB FC(F)c1ccc2c(c1)OC(F)(F)O2 1857793688 LPTGWNDXXXWKPU-UHFFFAOYSA-N 208.110 2.946 0 40 BFAB O=C(Nc1ccccc1)c1ccc2c(c1)CCO2 168875 AZVLKIGOXAXQCO-UHFFFAOYSA-N 239.274 2.874 0 40 BFAB Cc1ccc(C2(C)O[C@@H](C)[C@H](C)O2)cc1 1689228 CBMIXTRJKCQFBD-QWRGUYRKSA-N 206.285 2.992 0 40 BFAB [O-][n+]1c(Cl)cc(Cl)c2ccccc21 1727929 HYZMVUUSNFIJSN-UHFFFAOYSA-N 214.051 2.780 0 40 BFAB COP(=O)(OC)[C@@](C)(O)c1ccc(C)cc1 2570506 ZCTALOWBWBDNOH-LLVKDONJSA-N 244.227 2.646 0 40 BFAB C[C@@H]1C[C@H](O)c2cc(Br)ccc2N1 3999041 USYQORVUJKRYHT-LDWIPMOCSA-N 242.116 2.687 0 40 BFAB biogenic Nc1cc(-c2ccc(CO)o2)ccc1Cl 4298855 GXZLMLMGZQIIEL-UHFFFAOYSA-N 223.659 2.675 0 40 BFAB CC[C@@H](O)[C@H](C[C@@H](C)N(C)C)c1ccccc1 4692419 KSDALSCOLZNRQY-BPLDGKMQSA-N 235.371 2.881 0 40 BFAB C[C@H]1C[C@@H](N)CC[C@H]1C[C@H]1CC[C@@H](N)C[C@H]1C 6795127 NTGJOYPFNABNES-KRXYVZHUSA-N 238.419 2.904 0 40 BFAB CN1CCC[C@H]1/C=C/COc1ccc(F)cc1 13400873 HCDXPUIXSWEZPN-LQPUYASZSA-N 235.302 2.855 0 40 BFAB Nc1cc(NC(=O)c2ccncc2)ccc1Cl 20344209 BCDFJEXWQOMIRA-UHFFFAOYSA-N 247.685 2.570 0 40 BFAB CCCc1c(C(=O)O)cnn1Cc1ccccc1 21027515 WEBMWSSPANUKIO-UHFFFAOYSA-N 244.294 2.582 0 40 BFAB in-vitro O=C(O)CCc1ccc(Cc2ccccc2)o1 22113357 WTUMQKWIDVFQHN-UHFFFAOYSA-N 230.263 2.888 0 40 BFAB C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCCc2ccccc21 29107464 KVIKCPVEKZRVPX-OSAQELSMSA-N 243.350 2.879 0 40 BFAB CC[C@H](C)NC(=O)c1cc(C)sc1C 32747645 DUDHCMRFWMCJAR-ZETCQYMHSA-N 211.330 2.893 0 40 BFAB CCC(C)(C)NC(=O)CN1CCCCCCC1 32753294 NBABUOCLTPYZNK-UHFFFAOYSA-N 240.391 2.557 0 40 BFAB Cc1ccccc1CN(C)C(=O)[C@H]1C[C@H]1C 33000266 OZIRTQZYWORYAY-YPMHNXCESA-N 217.312 2.609 0 40 BFAB Oc1ccc2c(c1)[C@@]13CCCC[C@@H]1[C@@H](C2)NCC3 35643793 IYNWSQDZXMGGGI-FVQBIDKESA-N 243.350 2.738 0 40 BFAB in-vitro CC[C@H](O)c1cc(Cl)ccc1OC 36157336 ZOWDWZHMLUUVRC-VIFPVBQESA-N 200.665 2.792 0 40 BFAB CCOCCN[C@H](C)c1ccc(C)cc1 36229013 ZHPZANYIJZFLGN-GFCCVEGCSA-N 207.317 2.682 0 40 BFAB CC(C)(C)CC(C)(C)NC1CCOCC1 37100648 UPHQKUJGDWEFJE-UHFFFAOYSA-N 213.365 2.970 0 40 BFAB CCOc1cccc(CNCC2CC2)c1 37678133 VXHXUFBZZXHQMH-UHFFFAOYSA-N 205.301 2.585 0 40 BFAB O=C(O)c1cnn(C2CCCC2)c1C(F)(F)F 40927473 XMIOUJGDIKRGAQ-UHFFFAOYSA-N 248.204 2.715 0 40 BFAB Fc1cccc(COCC[C@H]2CCCNC2)c1 42771893 ZDXNTXOOBNJADU-GFCCVEGCSA-N 237.318 2.732 0 40 BFAB CCCC(=O)Nc1c(C)cc(N)cc1C 45888203 CNAFNQXMDQEMGM-UHFFFAOYSA-N 206.289 2.624 0 40 BFAB Cc1ccc(-c2cnc(CCC(=O)O)o2)cc1C 49786152 HLRWTSDBYAZNSW-UHFFFAOYSA-N 245.278 2.976 0 40 BFAB CCCC(C)(C)NC(=O)Cc1ccc(OC)cc1 50498056 ZURORAHMBLXXDP-UHFFFAOYSA-N 249.354 2.933 0 40 BFAB C[C@@]1(c2ccccc2Cl)C[C@@H]1C(=O)O 52126840 DTRQTBNNCPNXHA-KCJUWKMLSA-N 210.660 2.702 0 40 BFAB O=C(NCCSC(F)(F)F)c1ccccc1 58331325 YAFAURNYCRUCOK-UHFFFAOYSA-N 249.257 2.669 0 40 BFAB CCCNC(=O)N(CC)Cc1ccccc1 58619540 IWMCRBQDJFHGDV-UHFFFAOYSA-N 220.316 2.628 0 40 BFAB N[C@@H](CCC(=O)O)Cc1cccc2ccccc12 61893399 VYLSATSPQDKEPW-ZDUSSCGKSA-N 243.306 2.574 0 40 BFAB CCn1c(C=O)nc2cc(C(F)(F)F)ccc21 64874480 DGYBGBZWXAQMAJ-UHFFFAOYSA-N 242.200 2.888 0 40 BFAB CCCN1CCC[C@H]1c1cnc(OC)cc1C 72218018 CZCRARMOILCIHA-ZDUSSCGKSA-N 234.343 2.946 0 40 BFAB Cc1ccc(SC(F)(F)C(=O)O)cc1 85397061 FINTVGUVBRHQQV-UHFFFAOYSA-N 218.224 2.765 0 40 BFAB CC[C@@H](N)COCc1ccc(C)cc1C 89262641 CZAJUSFQOKGGJM-CYBMUJFWSA-N 207.317 2.557 0 40 BFAB Cc1csc(N(C(=O)[C@H]2C[C@H]2C)C2CC2)n1 89705684 PYSKWZIICCLNKU-XCBNKYQSSA-N 236.340 2.603 0 40 BFAB COC(C)(C)c1noc([C@H]2CC=CCC2)n1 89775565 KVWUSBCOUCYRSS-VIFPVBQESA-N 222.288 2.775 0 40 BFAB Cc1ccc(O)c(CN(C)Cc2cccs2)n1 95982288 RBRYCTJVEFPCJK-UHFFFAOYSA-N 248.351 2.789 0 40 BFAB CC(C)(C)NC[C@@H](O)c1cscc1Cl 96190517 XGPSVAVUYRNIMQ-SECBINFHSA-N 233.764 2.823 0 40 BFAB CCOC(=O)c1cnc2c(C)c(F)ccc2c1O 103289266 SCPWKIAYQSGSDT-UHFFFAOYSA-N 249.241 2.565 0 40 BFAB Cc1ccc2c(c1)CCN(C(=O)[C@H]1C[C@H]1C)C2 195579996 ORPIDZYVJJRZGX-RISCZKNCSA-N 229.323 2.536 0 40 BFAB CCc1ccc(CNC2CCCCC2)[nH]1 226019339 LYMBDBMNKQJJQC-UHFFFAOYSA-N 206.333 2.999 0 40 BFAB CC(C)C(=O)c1ccc2c(n1)CCCC2 242581654 OANLRKGAHVZTQP-UHFFFAOYSA-N 203.285 2.799 0 40 BFAB Cc1nn(C(F)F)cc1NCc1ccco1 256050087 CPCVRGGDGQIULX-UHFFFAOYSA-N 227.214 2.792 0 40 BFAB CCC(O)(CC)c1c(C(C)C)ccnc1N 257197728 HNPYEWYKJGIYIN-UHFFFAOYSA-N 222.332 2.795 0 40 BFAB CC(C)c1ncc(-c2cccnc2)n1C 521398786 BFPNDIXDVKCFCK-UHFFFAOYSA-N 201.273 2.606 0 40 BFAB CC(=O)OCC(=O)c1c(C)c(C)c(C)c(C)c1C 575358638 JVSDFPVZFFFSHY-UHFFFAOYSA-N 248.322 2.975 0 40 BFAB Cc1csc2c(Br)cnc(N)c12 953051555 GYJVJOQLWWCEIF-UHFFFAOYSA-N 243.129 2.949 0 40 BFAB Nc1cncc2c(C(F)(F)F)cccc12 1857790640 NJUHGCOOJPJGSE-UHFFFAOYSA-N 212.174 2.836 0 40 BFAB O=C(Nc1nccs1)Oc1ccccc1 134806 CXVVRXLSXHPYDR-UHFFFAOYSA-N 220.253 2.754 0 40 BFAB in-vitro CCCCCNC(=O)c1ccccc1F 2742213 JAKUXQGBFMCMNT-UHFFFAOYSA-N 209.264 2.746 0 40 BFAB CC(=O)[C@@H]1CC[C@H](c2ccccc2)CC1=O 3194819 JTWJDOHDQKMEDY-STQMWFEESA-N 216.280 2.728 0 40 BFAB O=C(/C=C/c1cccc(F)c1)Nc1nccs1 3549669 SHTMRQNUGGJOJF-SNAWJCMRSA-N 248.282 2.934 0 40 BFAB CCC(=O)Nc1ccc(N(CC)CC)cc1 5261125 PHVADMKFYOITNU-UHFFFAOYSA-N 220.316 2.881 0 40 BFAB CC(C)C(=O)NCC12CC3CC(CC(C3)C1)C2 5726881 GYIRYSIUMWKVDD-UHFFFAOYSA-N 235.371 2.975 0 40 BFAB O=C(O)CCc1c[nH]c2ccc(Cl)cc12 6094063 IUIMRMMVZDAFQI-UHFFFAOYSA-N 223.659 2.839 0 40 BFAB O=C(OCc1ccc(F)cc1)c1cccnc1 6472694 ODWXPWCSZVLBJK-UHFFFAOYSA-N 231.226 2.578 0 40 BFAB Cc1ccc(NC(=O)c2cc(C)n[nH]2)c(C)c1 6736875 CEPOASPORIUJKE-UHFFFAOYSA-N 229.283 2.587 0 40 BFAB Cc1cc(C)nc(Nc2ccc3cn[nH]c3c2)n1 8020286 ORTKGUWOHJZLNY-UHFFFAOYSA-N 239.282 2.713 0 40 BFAB Cc1cccnc1NC(=O)NCc1ccccc1 12463165 KSSPLAUEXLAOQQ-UHFFFAOYSA-N 241.294 2.712 0 40 BFAB C/N=c1\scc(-c2ccc(Cl)cc2)n1C 13113860 WNBWWSGKEXWPLK-QBFSEMIESA-N 238.743 2.938 0 40 BFAB CNCc1ccccc1OCCC(C)C 19738122 UQYMJCCIMWGTCE-UHFFFAOYSA-N 207.317 2.831 0 40 BFAB CCC(=O)Nc1nc(-c2ccc(N)cc2)cs1 20335872 CVJSDFXAQSHZLG-UHFFFAOYSA-N 247.323 2.741 0 40 BFAB O=C(O)CCCCC[C@@H](O)c1ccccc1 21992937 GIPXRSLMPOWIDN-GFCCVEGCSA-N 222.284 2.755 0 40 BFAB Cc1cc(C(=O)Nc2nc(C3CC3)cs2)on1 25561820 LWEHKRXMHUYIJF-UHFFFAOYSA-N 249.295 2.569 0 40 BFAB Cc1ccccc1CNC(=O)Cc1ccsc1 32498805 PVTOSGRCFVTAOA-UHFFFAOYSA-N 245.347 2.915 0 40 BFAB CCCN(CCC)CC[C@@H]1CCCCN1 34972531 OMOJDXHBJLPQIJ-ZDUSSCGKSA-N 212.381 2.641 0 40 BFAB Cc1ccc(N(C)C)cc1Br 36156118 RNEQCYGENLFWKX-UHFFFAOYSA-N 214.106 2.824 0 40 BFAB in-vitro Cc1n[nH]cc1CN[C@@H](C)CCc1ccccc1 36901624 OLUJTDURVIVRLY-LBPRGKRZSA-N 243.354 2.829 0 40 BFAB Brc1ccsc1C1OCCO1 38891780 RRLGYJDKXAVIJU-UHFFFAOYSA-N 235.102 2.556 0 40 BFAB C[C@@H](NC(=O)C1CC1)c1ccc(Cl)s1 40074654 GRVINRCELRCURX-ZCFIWIBFSA-N 229.732 2.989 0 40 BFAB C[C@@H](c1cccc(Cl)c1)N1CCC[C@H](O)C1 43220489 JWCOLZVFSATOJX-GWCFXTLKSA-N 239.746 2.858 0 40 BFAB CCOC(=O)[C@H](CC)C(=O)c1cccc(C)c1 43502535 QJIDTMZMSSKLCP-GFCCVEGCSA-N 234.295 2.767 0 40 BFAB in-vitro Brc1ccc(Cn2cccn2)cc1 44137739 JWKUEIBUDOSNAH-UHFFFAOYSA-N 237.100 2.694 0 40 BFAB in-vitro Cc1ccncc1C(=O)c1ccccc1F 45028993 KQQLLCUYCVXRBJ-UHFFFAOYSA-N 215.227 2.760 0 40 BFAB COc1cccc(Oc2ccc(C(=O)O)o2)c1 50907447 CAVHDWSZZRRNCM-UHFFFAOYSA-N 234.207 2.779 0 40 BFAB Nc1nccc(-c2ccc(F)c(Cl)c2)n1 52812017 NDJOHCHWXTWORA-UHFFFAOYSA-N 223.638 2.518 0 40 BFAB COC(Cc1cccc(Cl)c1)OC 62152094 HXFDKNFRSDFQDE-UHFFFAOYSA-N 200.665 2.501 0 40 BFAB in-vitro Clc1cc2c(cc1Cl)OCCN2 62523005 HZBKXSZPYNGPAZ-UHFFFAOYSA-N 204.056 2.798 0 40 BFAB in-vitro CC[C@H](COC)NCc1ccccc1C 70624150 YPSGONBQEQOYIU-CYBMUJFWSA-N 207.317 2.510 0 40 BFAB CCN1CCCC[C@H]1c1ccnc(C)c1 72219474 GJXQJUNIERFIQC-ZDUSSCGKSA-N 204.317 2.937 0 40 BFAB COC(=O)c1cc(-c2ccc(F)c(C)c2)on1 83165561 BXIVDUDGSXHOBE-UHFFFAOYSA-N 235.214 2.576 0 40 BFAB O=C(O)C1(c2ccc(F)cc2)CC2(CC2)C1 83174288 BMBBAGRTVSHAAK-UHFFFAOYSA-N 220.243 2.722 0 40 BFAB Cc1cc(O)ccc1C(=O)OC(C)(C)C 95935619 OXDRELHWFXGKNM-UHFFFAOYSA-N 208.257 2.656 0 40 BFAB O=Cc1cc(Br)c(Cl)s1 96300511 PTGYPJXVQUVREU-UHFFFAOYSA-N 225.494 2.977 0 40 BFAB in-vitro CC1=CCC[C@H](C)[C@@H]1CNCCCn1ccnc1 97098623 MVTCVCZOEUQRPU-LSDHHAIUSA-N 247.386 2.855 0 40 BFAB CN1C(=O)/C(=C/c2ccc[nH]2)c2ccccc21 216471156 JPWGMUNGEAITFZ-FMIVXFBMSA-N 224.263 2.532 0 40 BFAB Cc1cc(Cl)ccc1-n1cccc1CN 223685899 BSXRJJGRZBVKJO-UHFFFAOYSA-N 220.703 2.898 0 40 BFAB CCCn1c(C)c(CN)c2cc(O)ccc21 223755191 VZXJWNNKIBVIAO-UHFFFAOYSA-N 218.300 2.524 0 40 BFAB C[C@H]1CN2Cc3ccccc3-n3cccc3[C@@H]2O1 225377223 BCXYGBQBCMDSLZ-NHYWBVRUSA-N 240.306 2.710 0 40 BFAB CCCNC(=O)c1cc(N)ccc1N[C@H](C)CC 225454112 SNNZWLNFXAOAMZ-SNVBAGLBSA-N 249.358 2.619 0 40 BFAB CC(C)Cc1ccc(C(=O)O)n1C(C)C 226023124 NVBIORHZCCRKOA-UHFFFAOYSA-N 209.289 2.966 0 40 BFAB c1ccc2c(N3C[C@@H]4CCC[C@H]4C3)ncnc2c1 268285443 XILCPVAECAUKSM-RYUDHWBXSA-N 239.322 2.866 0 40 BFAB CCc1cccc2[nH]c(C)c(C)c(=O)c12 685938419 MAYMCAFQQFCTQC-UHFFFAOYSA-N 201.269 2.707 0 40 BFAB O=Cc1c(F)cc(C(F)F)c(F)c1F 1772717840 MJEOITGJLAYXQL-UHFFFAOYSA-N 210.101 2.854 0 40 BFAB Oc1ccc(CNCc2cccs2)cc1 40682 DIFCPBCZKFGYPB-UHFFFAOYSA-N 219.309 2.744 0 40 BFAB Cc1cc(N2CCOCC2)nc2c(C)cccc12 304269 TZOKKBDHYLJNDY-UHFFFAOYSA-N 242.322 2.688 0 40 BFAB CC(C)C[C@@H](O)C[C@@](C)(O)CC(C)C 1697024 AXJSGBKOGGOYCG-NEPJUHHUSA-N 202.338 2.581 0 40 BFAB CCc1ccccc1C(=O)N(CC)CC 1711275 PLSYPGKOSAWICF-UHFFFAOYSA-N 205.301 2.731 0 40 BFAB Cc1[nH]c2ccccc2c1Cc1nnc(S)o1 3646712 HTEBYTULZRXRBO-UHFFFAOYSA-N 245.307 2.739 0 40 BFAB c1ccc(CN2CCC([C@@H]3CCCN3)CC2)cc1 3732450 LLECPDMILCCLLV-INIZCTEOSA-N 244.382 2.651 0 40 BFAB CC1(C)[C@H]2CCC(=O)[C@@]3(C)CC[C@](C)(O)[C@H]3[C@H]21 4104717 GMEVHQNPFFEYHN-ULZOKTCUSA-N 236.355 2.789 0 40 BFAB biogenic,in-vitro Cc1ccc([C@@]2(O)C[C@@H](C)N(C)C[C@@H]2C)c(C)c1 4142766 BNPBCKRXUQEEPS-SQWLQELKSA-N 247.382 2.851 0 40 BFAB Cc1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)c1 4839765 NLCGWYVJECREQR-OUCADQQQSA-N 229.323 2.913 0 40 BFAB CC(=O)[C@@H]1CC[C@]2(C)CCC(=O)[C@H](C)[C@H]2C1 4984584 TWCJTIDWKFRZSQ-XIDUGBJDSA-N 222.328 2.997 0 40 BFAB CSCCC(=O)N[C@H]1CCCc2ccccc21 9219159 SROCLWBBXVRBAF-ZDUSSCGKSA-N 249.379 2.933 0 40 BFAB C[C@@H]1C[C@@H]1C(=O)N[C@H](c1ccccc1)C1CC1 12915210 BVFWVDWDLGJAFT-DDTOSNHZSA-N 229.323 2.910 0 40 BFAB CCc1ccc(OCCCn2ccnc2)cc1 16667684 DUJSJXQAPZMABU-UHFFFAOYSA-N 230.311 2.915 0 40 BFAB Cc1ccc(NC(=O)Cc2ccccc2)cc1N 19471277 VOCLXLUSQNGZFI-UHFFFAOYSA-N 240.306 2.758 0 40 BFAB CN1CCc2cc(-c3ccncc3)ccc21 22113189 RAODSKKQEFRYOM-UHFFFAOYSA-N 210.280 2.741 0 40 BFAB O=c1occc2nccc(-c3ccccc3)c12 22606995 ONSYIZVLKRETLB-UHFFFAOYSA-N 223.231 2.855 0 40 BFAB Cc1cc(Br)c2cccnc2c1N 26438470 HROPQYVYNZOEPH-UHFFFAOYSA-N 237.100 2.888 0 40 BFAB NCCC(=O)N(c1ccccc1)c1ccccc1 34403841 WCHIHLCUOACESF-UHFFFAOYSA-N 240.306 2.700 0 40 BFAB O=Cc1cc2cc(Cl)cc(Cl)c2oc1=O 39953723 RQDYZXXDZAODMO-UHFFFAOYSA-N 243.045 2.912 0 40 BFAB Cc1ccc(C)c(C(=O)N[C@@H](C)C2CC2)c1 39985016 CHFBBLVDDBQLEL-NSHDSACASA-N 217.312 2.832 0 40 BFAB Cc1ccc(C(=O)N[C@@H](C)Cc2ccco2)o1 40074719 DPACNUQXAWSQPV-VIFPVBQESA-N 233.267 2.542 0 40 BFAB Cc1cnc(NC(=O)NC2CCCCC2)s1 43465588 DTTKCFOIBXSYOR-UHFFFAOYSA-N 239.344 2.906 0 40 BFAB CCCCOc1ccc(C(=O)COC)cc1 43504707 ZUAOSFXYBPLFAB-UHFFFAOYSA-N 222.284 2.695 0 40 BFAB Cc1c(C)c(C)c([C@@H](N)CC(=O)O)c(C)c1C 44196719 QKHNAGYLRTZXJO-LBPRGKRZSA-N 235.327 2.703 0 40 BFAB CC[C@]1(c2ccc(Br)cc2)C[C@@H]1N 52126172 YQOFNSJFQSYKQC-WDEREUQCSA-N 240.144 2.828 0 40 BFAB in-vitro COc1ccc([C@@](C)(O)C(C)C)cc1F 55261531 SQXZUUOKRYYTMC-LBPRGKRZSA-N 212.264 2.698 0 40 BFAB CCCNC(=O)N(C)Cc1ccc(C)cc1 58616242 BMVDGQKHVJSBLQ-UHFFFAOYSA-N 220.316 2.546 0 40 BFAB OC[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 62720280 NMCQHEXVLGPBQM-WCBMZHEXSA-N 216.202 2.801 0 40 BFAB O=C(OCCCc1ccncc1)[C@@H]1CC=CCC1 69189322 DCIRSFOGIPZGEH-CQSZACIVSA-N 245.322 2.914 0 40 BFAB Cc1ccc(F)cc1[C@@H](O)c1ccoc1 70079039 MIFNETYRRLOOKV-LBPRGKRZSA-N 206.216 2.809 0 40 BFAB CNC/C=C/c1ccc(OC(F)(F)F)cc1 70453119 HEFFUYPYGFEWTM-NSCUHMNNSA-N 231.217 2.818 0 40 BFAB CCOc1ccc(/C=C/C(=O)OC)cc1Cl 72209094 PBGNUKCAXZJRHG-FNORWQNLSA-N 240.686 2.925 0 40 BFAB Cc1nc(N2CCCCC2)ccc1C1=NCCC1 72219261 JZIGKWZZSMPWRP-UHFFFAOYSA-N 243.354 2.963 0 40 BFAB COc1ncc(C(=O)c2ccccc2)cc1C 72221937 HPAYSWDXEPQZSB-UHFFFAOYSA-N 227.263 2.630 0 40 BFAB C[C@H](O)c1ccc(OCc2ccccc2)nc1 72225387 FVVJYODQMHMRQE-NSHDSACASA-N 229.279 2.714 0 40 BFAB Cc1ccnc([C@@H]2CCCN2C2CCCC2)n1 72356822 FUAFOOKKABMJNC-ZDUSSCGKSA-N 231.343 2.865 0 40 BFAB CSc1ccc(OCCn2ccnc2)cc1 76423037 GEXCSQWONHKXGE-UHFFFAOYSA-N 234.324 2.684 0 40 BFAB CC1CC(COc2ccc(C=O)cc2)C1 85391106 GCJMESBKOWQYBB-UHFFFAOYSA-N 204.269 2.924 0 40 BFAB Cc1[nH]ccc1C(=O)N1CCC[C@H]2CCC[C@H]21 89536761 KQJGJQVQFKVYOW-DGCLKSJQSA-N 232.327 2.728 0 40 BFAB CC(C)N(Cc1cccc2[nH]ccc12)C[C@@H](C)O 93145641 POCSDSRWONCWBF-GFCCVEGCSA-N 246.354 2.759 0 40 BFAB Cc1ccnc(Sc2cccs2)n1 95398906 VHPLKGUAGSJVIZ-UHFFFAOYSA-N 208.311 2.998 0 40 BFAB C[C@H](NC(=O)N[C@H](C)C1CCC1)c1ccco1 95440216 XMSRJQXUOSFDPE-ZJUUUORDSA-N 236.315 2.828 0 40 BFAB CCc1ccccc1[C@@H](O)c1ccccn1 95727179 IWSFMTDEBWXKHO-CQSZACIVSA-N 213.280 2.726 0 40 BFAB C[C@@H](NCc1cncs1)c1cncc(F)c1 96005657 CZTKZCRIMSYGEB-MRVPVSSYSA-N 237.303 2.528 0 40 BFAB COC(=O)c1ccnc(C2=C(O)CCCC2)c1 100381883 BUWQOPGIAQMOKG-UHFFFAOYSA-N 233.267 2.711 0 40 BFAB CCN(CC)C(=O)Cc1ccc(Cl)cc1F 169831031 MEOSTRTZQNQBDF-UHFFFAOYSA-N 243.709 2.890 0 40 BFAB CNCCO[C@@H](c1ccccc1)C1CCC1 217689104 SMTKQPIKKOJVPW-AWEZNQCLSA-N 219.328 2.764 0 40 BFAB Cc1cc(C)c(N)c(NCc2cccnc2)c1 223776711 DNPXHCWTISGPOO-UHFFFAOYSA-N 227.311 2.893 0 40 BFAB CCO[C@@H](Cc1cccc(Cl)c1C)C(=O)O 225072399 NKUCOXJIYOUSQB-NSHDSACASA-N 242.702 2.681 0 40 BFAB CCCC(=O)Nc1c(C)cc(N)cc1Cl 226755755 QLQKKVYUQAXGQO-UHFFFAOYSA-N 226.707 2.969 0 40 BFAB COc1cc(N)cc(Cl)c1NC(=O)C(C)C 227146261 BQZIVQNOBLRXFQ-UHFFFAOYSA-N 242.706 2.525 0 40 BFAB FC(F)(F)c1cccnc1N1CC=CCC1 238831788 GBVZMSCKUJGVRV-UHFFFAOYSA-N 228.217 2.867 0 40 BFAB CCCNCc1cc(C2CC2)nn1C(C)C 256053005 PPZDQIMHACIOCU-UHFFFAOYSA-N 221.348 2.841 0 40 BFAB CC[C@H](C(=O)O)n1ncc(Cl)c1C(F)F 408715810 FAMDREVVAGINGF-RXMQYKEDSA-N 238.621 2.510 0 40 BFAB CCCc1nc(COc2cc(C)nc(C)c2)no1 548470142 LXTFUYVYECWXMS-UHFFFAOYSA-N 247.298 2.613 0 40 BFAB CCc1[nH]c2cccc(OC)c2c(=O)c1CC 685938319 HFEGEXZAOZWORZ-UHFFFAOYSA-N 231.295 2.662 0 40 BFAB CCOC(=O)CCSc1ccc(OC)cc1 165132 HXNJQIZBDYDTFM-UHFFFAOYSA-N 240.324 2.741 0 40 BFAB Nc1nnc(-c2cccc3ccccc23)s1 3716259 FIABVYFGQUPGTA-UHFFFAOYSA-N 227.292 2.941 0 40 BFAB CNC(=O)c1ccc(-c2ccc(F)cc2)s1 5525931 IMVQWYQQLABIKT-UHFFFAOYSA-N 235.283 2.914 0 40 BFAB CC[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2C 5553086 JQQICFVIEZVXBF-NUEKZKHPSA-N 245.366 2.936 0 40 BFAB Cc1ccc(CS[C@H](C)C(=O)O)cc1 6426711 HGAGZOQIDUIMPU-SECBINFHSA-N 210.298 2.701 0 40 BFAB CCNCc1ccc(OCC)c(OCC)c1 8227257 QINGCEODYYPKIM-UHFFFAOYSA-N 223.316 2.594 0 40 BFAB O=C(O)[C@@H](Cc1cccnc1)c1ccc(F)cc1 11570638 YUQPCFZNOCXPTD-ZDUSSCGKSA-N 245.253 2.632 0 40 BFAB Sc1nc2ccccc2nc1N1CCCC1 12176829 SEQUUAVJVHVHJT-UHFFFAOYSA-N 231.324 2.519 0 40 BFAB Cc1ccccc1NC(=O)[C@H](C)N1CCCCC1 12911283 KYIZHCDCGUGWEZ-ZDUSSCGKSA-N 246.354 2.808 0 40 BFAB Brc1ccc(CNCC2CC2)cc1 19884599 ZHBQFZFOSYFYFM-UHFFFAOYSA-N 240.144 2.949 0 40 BFAB COc1ccccc1[C@H](C)NC(=O)[C@@H]1C[C@@H]1C 23530446 TXWFSBOJKQKTNF-JBLDHEPKSA-N 233.311 2.528 0 40 BFAB NC(=O)Cc1ccc(-c2ccc(Cl)cc2)o1 30714784 BSTWZISXTZZBIA-UHFFFAOYSA-N 235.670 2.628 0 40 BFAB Clc1ccc(S[C@@H]2CCNC2)cc1 34103762 CZIVEYOBQCTLEO-SNVBAGLBSA-N 213.733 2.794 0 40 BFAB CC1(C)CCC(=O)c2cc(C(=O)O)ccc21 34560607 DGHJZSDUBZRQAR-UHFFFAOYSA-N 218.252 2.639 0 40 BFAB CCOc1ccc(-c2csc(=O)[nH]2)cc1 34669815 TVGUPWQGBAACQI-UHFFFAOYSA-N 221.281 2.502 0 40 BFAB in-vitro CC[C@H](C)C(=O)c1ccc2c(c1)CCO2 36942075 JKMLNAVGIBEUQT-VIFPVBQESA-N 204.269 2.850 0 40 BFAB Fc1ccc2sc(C3CCNCC3)nc2c1 37205184 OLBCXLRTNNMXJU-UHFFFAOYSA-N 236.315 2.902 0 40 BFAB in-vitro O=C(O)c1ccc2nc3c(nc2c1)[C@H]1CC[C@@H]3C1 39867949 JPAIJDDWWXFORV-SFYZADRCSA-N 240.262 2.693 0 40 BFAB COc1ccc([C@H](O)c2ccsc2)cc1F 40263113 KPNUQIDBTYXZCG-LBPRGKRZSA-N 238.283 2.978 0 40 BFAB CS[C@@H](CN)c1cccc(Cl)c1 43019621 WFKVGLKWRNPJIE-VIFPVBQESA-N 201.722 2.703 0 40 BFAB in-vitro CCc1ccc(CN(C)[C@@H](CC)C(=O)O)cc1 49962205 MVWHRRCZZIVXJK-ZDUSSCGKSA-N 235.327 2.544 0 40 BFAB CCCC(CCC)N[C@@H]1CCCC[C@@H]1O 51992834 GHRWONMLMRHEQT-OLZOCXBDSA-N 213.365 2.848 0 40 BFAB COc1ccc(C)cc1C(=O)c1ccccn1 55262551 AQJIDHMWBPJJHX-UHFFFAOYSA-N 227.263 2.630 0 40 BFAB CCCC(=O)NCCN(CC)c1cccc(C)c1 60794622 YCJVOOVCGIABEG-UHFFFAOYSA-N 248.370 2.738 0 40 BFAB COc1cccc([C@@H](O)c2ccc(C)o2)c1 70168912 SQSLOUJWGTWUFF-CYBMUJFWSA-N 218.252 2.678 0 40 BFAB Nc1ccc(-c2cnnn2-c2ccccc2)cc1 71256182 NPUDTHKSWBIMPS-UHFFFAOYSA-N 236.278 2.517 0 40 BFAB CCNc1nc(C(C)C)nc2c(C)nn(CC)c12 72238361 PIQNOXADLRKXJI-UHFFFAOYSA-N 247.346 2.710 0 40 BFAB CCC(C)(C)C(=O)Nc1cccnc1C 73347904 PNAWCUKXGXXYBI-UHFFFAOYSA-N 206.289 2.765 0 40 BFAB Cc1cc(COc2cc(F)ccc2F)on1 78443635 MBCCTGKYCPPXMV-UHFFFAOYSA-N 225.194 2.840 0 40 BFAB OCCCN(Cc1ccoc1)C1CCCCC1 78876528 QPAWQVPASNPIGJ-UHFFFAOYSA-N 237.343 2.797 0 40 BFAB COc1ccc(Cl)cc1-c1[nH]ncc1C=O 82168370 KOTFBISAWKZYSH-UHFFFAOYSA-N 236.658 2.551 0 40 BFAB O=Cc1ncc(-c2ccc(F)cc2)s1 83239787 NAMAEOUKDXRZLJ-UHFFFAOYSA-N 207.229 2.762 0 40 BFAB Cc1cc(CN(C)C[C@H]2CC=CCC2)no1 92254126 OTEVGDCZIRRMGI-LBPRGKRZSA-N 220.316 2.771 0 40 BFAB CCOCCNc1nccc2ccc(F)cc12 95443280 MIGHYLNSEPHFSY-UHFFFAOYSA-N 234.274 2.822 0 40 BFAB Cc1cc(F)ccc1C(=O)C[C@H](C)CC(=O)O 95634368 SJLKRRILKPHUHS-QMMMGPOBSA-N 238.258 2.818 0 40 BFAB CC1=NCCN1c1ccc(Br)cc1 95915760 KATSVIROMIGVQH-UHFFFAOYSA-N 239.116 2.688 0 40 BFAB Cc1cccc(OC[C@H]2CCOC2)c1F 96500052 CTGGGLWVLQWMFY-JTQLQIEISA-N 210.248 2.549 0 40 BFAB CCc1cc(N2CCCCC2=O)ccc1C=O 199759517 KRAHBMOKXRCXDS-UHFFFAOYSA-N 231.295 2.578 0 40 BFAB CCCc1ccc(C(=O)[C@H]2C[C@H]2C(=O)OC)cc1 217818303 SYKHYDDYXAVDJV-QWHCGFSZSA-N 246.306 2.631 0 40 BFAB Cc1ccc(OC[C@H](C)NC(=O)C2CC2)cc1C 225386362 MTJWPTFTCWFCKE-LBPRGKRZSA-N 247.338 2.597 0 40 BFAB Cc1ccc(F)cc1C1(C(=O)O)CCC1 238496293 CMGBCWYSMYACQH-UHFFFAOYSA-N 208.232 2.640 0 40 BFAB CN(CCCCCCCO)C(=O)OC(C)(C)C 721355624 PMQJYJHGPFXULP-UHFFFAOYSA-N 245.363 2.796 0 40 BFAB Cc1cc(C)c(C(=O)NC[C@@H]2CCCO2)c(C)c1 29092 JLXUHPWYSWGUMW-ZDUSSCGKSA-N 247.338 2.521 0 40 BFAB CC(C)CNc1ncnc2ccccc12 524488 VYWCYZSHFOVZJY-UHFFFAOYSA-N 201.273 2.698 0 40 BFAB Cn1ncn(-c2ccc(Cl)cc2)c1=S 1402569 AYWXOLOQRAUPAT-UHFFFAOYSA-N 225.704 2.594 0 40 BFAB CO[P@@]1(=O)OC(C)=C(C)c2cccn21 1566035 JJSRSAWPRLKWJC-CQSZACIVSA-N 213.173 2.872 0 40 BFAB Oc1ccc([C@H]2C[C@@H](O)c3ccccc3O2)cc1 1594162 VIWWLMUBPMSXTF-UKRRQHHQSA-N 242.274 2.949 0 40 BFAB CC(C)(CCc1nc2ccccc2[nH]1)C(=O)O 1611846 DBJJQAYXVLLRGG-UHFFFAOYSA-N 232.283 2.606 0 40 BFAB in-vitro Cc1cccc(NS(=O)(=O)CC(C)C)c1C 5392745 DLNGHNVTMCRHQT-UHFFFAOYSA-N 241.356 2.701 0 40 BFAB CC(C)Sc1nnc(-c2ccccc2)n1C 6346098 UDPLJVUCUWJIKV-UHFFFAOYSA-N 233.340 2.983 0 40 BFAB O=C(O)c1cccc(OC2CCCC2)c1 9237021 GFTZDGGMZKVKKN-UHFFFAOYSA-N 206.241 2.706 0 40 BFAB in-vitro C[C@H]1C[C@@H](C)CN([C@@H](C(=O)O)c2ccccc2)C1 11803279 MWFQTSRXJJVKFN-MBNYWOFBSA-N 247.338 2.790 0 40 BFAB CCOc1ccc(-c2csc(N)n2)cc1F 13223591 YRTZOLLKCBOMCY-UHFFFAOYSA-N 238.287 2.930 0 40 BFAB O=c1cc(-c2cccs2)nc2n1CCCCC2 16768895 MPQYUIZTMUYBFV-UHFFFAOYSA-N 246.335 2.698 0 40 BFAB Cc1ccc(N)cc1N1[C@@H](C)CC[C@H]1C 17886166 TVSRDGMRVBBLNV-PHIMTYICSA-N 204.317 2.954 0 40 BFAB CCOc1ccc([C@H](N)C(F)(F)F)cc1 19967517 JYVFWICHKIJYQB-VIFPVBQESA-N 219.206 2.647 0 40 BFAB Nc1cccnc1Nc1ccccc1F 20317516 QEEOCBCSADXRDE-UHFFFAOYSA-N 203.220 2.547 0 40 BFAB O=C(NCCc1cccs1)c1cccc(F)c1 21475149 YNUUYTPCEHPZBH-UHFFFAOYSA-N 249.310 2.860 0 40 BFAB Cc1cc(=O)cc(C)n1-c1cccc(F)c1 27515349 LBUXVIGIRDMPQN-UHFFFAOYSA-N 217.243 2.593 0 40 BFAB CSCC(=O)N(C)[C@@H]1CCCc2ccccc21 32676266 OGRZOPAZEWXMKM-CYBMUJFWSA-N 249.379 2.885 0 40 BFAB COC(=O)c1c[nH]cc1-c1ccsc1 34415442 SWSHFLRSVDSMOT-UHFFFAOYSA-N 207.254 2.530 0 40 BFAB CCNCc1ccc(O[C@@H](C)CC)c(OC)c1 34816941 JMLDOXSFGWGLCY-NSHDSACASA-N 237.343 2.982 0 40 BFAB CN(C(=O)c1cc(C2CC2)[nH]n1)C1CCCCC1 35537845 QRQMUVIAGOYIKD-UHFFFAOYSA-N 247.342 2.692 0 40 BFAB CC(C)(CN)c1ccc(OC(F)F)cc1 37934506 JJZVGPJTBWDCFI-UHFFFAOYSA-N 215.243 2.524 0 40 BFAB CCOc1ccc(C(C)(C)C(=O)OC)cc1 38363948 FTNXFNHNDUBBJV-UHFFFAOYSA-N 222.284 2.536 0 40 BFAB C[C@@H](Cc1ccco1)NC(=O)Cc1cccs1 40510251 UKFURQHTLGVGCJ-JTQLQIEISA-N 249.335 2.631 0 40 BFAB CCCC(=O)c1ccc(C2OCCO2)s1 43210327 RBWKNKSXJTYANB-UHFFFAOYSA-N 226.297 2.776 0 40 BFAB CC(C)c1ccnc(Br)c1 44118775 LEMRXPAQILDIFZ-UHFFFAOYSA-N 200.079 2.968 0 40 BFAB CC(C)=CC(=O)N[C@H](C)CCc1ccco1 47741227 XTYITKNPQLCKLR-LLVKDONJSA-N 221.300 2.683 0 40 BFAB C[C@H](C1CC1)N(C)C(=O)C1CCCCC1 58368141 KUDSCBAXWUZHCW-SNVBAGLBSA-N 209.333 2.824 0 40 BFAB Nc1c2c(nn1-c1ccc(Cl)cc1)CCC2 59726907 OUGPBSYEHDRNGH-UHFFFAOYSA-N 233.702 2.597 0 40 BFAB C[C@H](NCCc1cccs1)[C@H](C)n1cccn1 69951285 WZNHZERPRUNSAT-RYUDHWBXSA-N 249.383 2.726 0 40 BFAB CSc1ncccc1C1=NCCCC1 72216952 RURFTJOIUPJYLS-UHFFFAOYSA-N 206.314 2.777 0 40 BFAB Cn1c([C@H]2CCCCN2)cc2ccccc21 83298773 FWGNXCRWEZGBBT-GFCCVEGCSA-N 214.312 2.993 0 40 BFAB CC(C)(CN)c1ccc(F)cc1Br 84558244 NUWLEGVCTULNPJ-UHFFFAOYSA-N 246.123 2.825 0 40 BFAB CC(=O)c1ccccc1C(=O)N[C@@H]1CCC[C@H]1C 87313303 USVLYGPGZXKQSL-QMTHXVAHSA-N 245.322 2.808 0 40 BFAB Cc1ccc([C@@H](C)C(=O)N2CCCC2)s1 95963314 VXRFOXXFFBRENT-SNVBAGLBSA-N 223.341 2.782 0 40 BFAB COc1c(C(=O)O)sc(SC)c1Cl 96510995 LLKMPKUBANFCMP-UHFFFAOYSA-N 238.717 2.830 0 40 BFAB CC[C@]1(OC)CCN(Cc2ccccc2)C1 96511316 DMBPFRSWONQBQP-AWEZNQCLSA-N 219.328 2.688 0 40 BFAB Clc1cc(Cl)c2c(c1)[C@H]1O[C@@H]1C2 100235012 SBSVJEMBNBKHOX-RKDXNWHRSA-N 201.052 2.989 0 40 BFAB CC1(C)CCC[C@]2(C)[C@@H]1CC[C@](C)(O)[C@H]2CO 139777852 MLWFPIRGSGERCY-OSRDXIQISA-N 240.387 2.972 0 40 BFAB CCOc1cccc([C@H](C)NC[C@H]2CCCO2)c1 153097399 AUPIDJVKGWCGIF-SWLSCSKDSA-N 249.354 2.915 0 40 BFAB CC[C@@H]1Cc2ccccc2CN1Cc1c[nH]cn1 185652497 KXVBRCPFWAAWLP-OAHLLOKOSA-N 241.338 2.747 0 40 BFAB Fc1ccc(-c2nnc(-c3cnco3)o2)cc1 216604891 RVDCQKLNVWAKLQ-UHFFFAOYSA-N 231.186 2.531 0 40 BFAB CC(C)(C)OC(=O)N1CCC[C@@](C)(F)C1 224634200 OHHLWURADNUYTK-LLVKDONJSA-N 217.284 2.746 0 40 BFAB CC(=O)N1CCS/C1=C/c1cccs1 225234916 YXWGXIBSBITKGZ-JXMROGBWSA-N 225.338 2.642 0 40 BFAB Cc1ccc(N2CCN[C@@H]3CCC[C@@H]32)cc1C 225716646 TVCLCARITZTDNE-CABCVRRESA-N 230.355 2.634 0 40 BFAB CCOC(=O)c1ccc([C@@H]2CC2(F)F)cc1 261335484 ZYSRSLAFDKJBDS-JTQLQIEISA-N 226.222 2.986 0 40 BFAB O=C1CCCc2[nH]c(-c3ccccc3)nc21 194985 VOPVGOUMSWJEIQ-UHFFFAOYSA-N 212.252 2.596 0 40 BFAB Cc1cccc(C(=O)Oc2ccccn2)c1 384147 SPQXGLBJSZTTHZ-UHFFFAOYSA-N 213.236 2.609 0 40 BFAB C[C@@H]1CCCC[C@]1(O)[C@H](C(=O)O)c1ccccc1 4683101 LSEQDEFEFOPADI-OSAQELSMSA-N 248.322 2.796 0 40 BFAB COC(=O)c1cc(C)nc2ccc(C)cc12 6279184 BDOORBRWEMYQFI-UHFFFAOYSA-N 215.252 2.638 0 40 BFAB CC[C@H](Nc1ccc(C)c(C)c1)C(=O)O 8702768 IUCUVXCKLHRXPW-NSHDSACASA-N 207.273 2.579 0 40 BFAB Cc1ccc(Cl)cc1N[C@H](C)C(=O)O 8730591 PDUZQVKUIZORFI-SSDOTTSWSA-N 213.664 2.533 0 40 BFAB Cc1cc(NC(=O)N2CCCCCCC2)no1 10277251 ZLMOBUVAXPXSGP-UHFFFAOYSA-N 237.303 2.781 0 40 BFAB Cc1ccccc1CNC(=O)c1cccc(O)c1 12974082 CLVNZPSFHZOJGB-UHFFFAOYSA-N 241.290 2.631 0 40 BFAB O=C(c1cc(C2CC2)on1)N1CCCCCC1 13363685 PQYKRXAKKZEMHT-UHFFFAOYSA-N 234.299 2.568 0 40 BFAB O=C(N[C@H]1C[C@@H]1c1ccccc1)c1ccccc1 16037385 PNDHLCFURACDRW-CABCVRRESA-N 237.302 2.973 0 40 BFAB c1ccc(CN2[C@H]3CC[C@@H]2c2cn[nH]c2C3)cc1 19371566 IOCBRZYCDNTMQH-SWLSCSKDSA-N 239.322 2.672 0 40 BFAB CC[C@H](C)NC(=O)[C@H]1C[C@@H](C)Nc2ccccc21 19434260 RMFKCPZVZSAUNM-LOWVWBTDSA-N 246.354 2.889 0 40 BFAB in-vitro NCCSCc1cccc(Br)c1 19485011 DREYSFLGDTXWSA-UHFFFAOYSA-N 246.173 2.641 0 40 BFAB CCc1ccc([C@H](C)NCCOC)cc1 19881733 NTIJOSUBHKFSHQ-NSHDSACASA-N 207.317 2.546 0 40 BFAB Nc1ccc(C(=O)NCCC2=CCCCC2)cc1 20193317 DMPDYKSPMIWWRY-UHFFFAOYSA-N 244.338 2.889 0 40 BFAB NCc1ccc(CN2CCc3ccccc32)cc1 22223077 OEZFNZZRJOEHHS-UHFFFAOYSA-N 238.334 2.708 0 40 BFAB Cc1ccc(C(=O)Nc2ccccc2F)n1C 31334941 JNELFJCBMXBIEF-UHFFFAOYSA-N 232.258 2.725 0 40 BFAB CC1CCN(C(=O)[C@H]2CC=CCC2)CC1 32819397 SJQHXZWTTZSVSD-LBPRGKRZSA-N 207.317 2.601 0 40 BFAB CC[C@H]1CCCN(Cc2c(C)noc2C)C1 48058086 WDEKSPDYYDQYEJ-LBPRGKRZSA-N 222.332 2.913 0 40 BFAB Cc1cccc(Nc2cc(N)nc(C3CC3)n2)c1 49467575 RDYKPCZSRIYHMT-UHFFFAOYSA-N 240.310 2.988 0 40 BFAB COC(=O)[C@H](C)c1cnc2ccccc2c1 52232755 KQOSNSIBEYFGKI-SECBINFHSA-N 215.252 2.511 0 40 BFAB COC(=O)c1oc2ccc(OC)cc2c1C 57507780 PGZMJOOOCVNYTE-UHFFFAOYSA-N 220.224 2.536 0 40 BFAB CCC[C@@H](OC)c1ccc(CC(=O)OC)cc1 72220178 CCAPUYAGVDRYBN-CYBMUJFWSA-N 236.311 2.890 0 40 BFAB CCC(=O)c1cnc(N2CCCC2)c(C)c1 72222432 IDLDHIWGIMUMAW-UHFFFAOYSA-N 218.300 2.583 0 40 BFAB COc1cc(C)c2[nH]c(C=O)c(C)c2c1 82592548 CJDDZFJISYXEQP-UHFFFAOYSA-N 203.241 2.606 0 40 BFAB Clc1ccn2ncc(Br)c2c1 84304290 OWGQRCLIMHPEGW-UHFFFAOYSA-N 231.480 2.750 0 40 BFAB COc1ccc(-c2nc(NN)sc2C)c(C)c1 85397345 PHQJRHVPFZFZAH-UHFFFAOYSA-N 249.339 2.721 0 40 BFAB c1ccc(CN2CC[C@H](CN3CCCC3)C2)cc1 89834885 LDDZSDKWHKWEAK-MRXNPFEDSA-N 244.382 2.604 0 40 BFAB Cn1cccc1[C@@H](O)c1ccc(Cl)s1 95727680 ZIJVAYSYVIDRAO-SNVBAGLBSA-N 227.716 2.822 0 40 BFAB CSc1ccccc1[C@@H](O)c1cccn1C 95727916 KYOVFAFZROPFJF-CYBMUJFWSA-N 233.336 2.829 0 40 BFAB CN(C)CCNc1c(Cl)cc(N)cc1Cl 96524279 LBIKSSWACUUXQL-UHFFFAOYSA-N 248.157 2.549 0 40 BFAB NC(=O)c1ccccc1NCCc1cccs1 97048046 VYFJHCRABXVJBX-UHFFFAOYSA-N 246.335 2.502 0 40 BFAB C[C@H]1CC[C@@H](NCC(C)(C)CCO)C[C@@H]1C 97379736 PORANGSONGZKAI-RWMBFGLXSA-N 227.392 2.809 0 40 BFAB CNc1ccc(Br)c(Cl)c1N 98179023 KPKIFLPEBDSPIK-UHFFFAOYSA-N 235.512 2.726 0 40 BFAB N=C1CCC(=N)c2c1c(O)c1ccccc1c2O 101895936 UFVDYITXJBCPMW-UHFFFAOYSA-N 240.262 2.781 0 40 BFAB CC1(C)[C@@H]2CC[C@]1(C)C(=O)[C@@H]2Nc1ccccn1 102918580 AJUNTFPBSOPTHR-IXPVHAAZSA-N 244.338 2.887 0 40 BFAB O=C1c2cc(F)ccc2OC[C@@H]1c1cccnc1 103231179 AWTGRDYTUFOKOH-GFCCVEGCSA-N 243.237 2.580 0 40 BFAB CC1=C(C)[C@@H](NC(C)(C)C)N(C(C)(C)C)C1=O 199404069 BOSDODGIPFBMNF-NSHDSACASA-N 238.375 2.678 0 40 BFAB CN1CC[C@H]2Nc3cc(Cl)ccc3[C@@H]2C1 215996664 PMOAREPQUPCMKP-WDEREUQCSA-N 222.719 2.553 0 40 BFAB CCCOC(=O)c1cc(N)ccc1NC(C)C 225452315 IRSMQZBKDDGTNI-UHFFFAOYSA-N 236.315 2.656 0 40 BFAB C[C@@H](O)CC[C@H]1CCCN1C(=O)OC(C)(C)C 242592449 OVDNBDMLFKXZLE-GHMZBOCLSA-N 243.347 2.547 0 40 BFAB CC[C@@H](C)n1ccc(NCc2cc(C)nn2C)n1 256053576 RZSZXXXBSKNRNR-LLVKDONJSA-N 247.346 2.508 0 40 BFAB CC1(C)C(C(=O)n2cc(Cl)cn2)C1(C)C 997773 CCNATUXOJRYZFH-UHFFFAOYSA-N 226.707 2.859 0 40 BFAB CCOC1(OCC)C[C@@H]2C[C@H]1[C@@H]1C=CC[C@H]21 2559100 XPTYNVVWIOVRPP-LOWDOPEQSA-N 222.328 2.988 0 40 BFAB C=CCN1C(=O)S/C(=C/c2ccco2)C1=O 5517568 QZGYTZLEAAZXGB-VQHVLOKHSA-N 235.264 2.502 0 40 BFAB CC[C@H](Oc1ccc(C)cc1)C(=O)N1CCCC1 8478475 GCKFYMSLBCGTSE-AWEZNQCLSA-N 247.338 2.775 0 40 BFAB CC(C)C(=O)N1CC[C@H](c2ccccc2)C1 11638393 NIFOYWLAVOKZNN-ZDUSSCGKSA-N 217.312 2.659 0 40 BFAB Cc1cc(O)ccc1NC(=O)c1ccc(N)cc1 11737167 DQBFIJBTHAFDKU-UHFFFAOYSA-N 242.278 2.535 0 40 BFAB CC(=O)Oc1ccc(C(=O)c2ccccc2)cc1 14443501 DGBLQRCFBNFTSZ-UHFFFAOYSA-N 240.258 2.843 0 40 BFAB Nc1cc(F)ccc1NC(=O)C1CCCCC1 20157350 QVBRPVMTTWXCBN-UHFFFAOYSA-N 236.290 2.927 0 40 BFAB Cc1ccc(C(=O)CC(=O)C(C)(C)C)o1 20375690 AHJCVJZBDKJNFN-UHFFFAOYSA-N 208.257 2.776 0 40 BFAB COc1ccc(C[C@H]2CCCCC2=O)cc1 34182072 PTRJPEKVIOARSU-GFCCVEGCSA-N 218.296 2.997 0 40 BFAB C=CC(=O)N1CCC(c2ccccc2)CC1 37829713 ZBBGPVPOKBKMEV-UHFFFAOYSA-N 215.296 2.579 0 40 BFAB CCCN(CCC)C(=O)c1cc(C2CC2)on1 40493316 UWRMJOBVXYLOIP-UHFFFAOYSA-N 236.315 2.814 0 40 BFAB Cc1ccc(C)c(NC(=O)N2CCCC2)c1 40498716 WPOYWTOAGRDBJL-UHFFFAOYSA-N 218.300 2.931 0 40 BFAB CCC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 41285192 SDXDPFJADRSXOW-JTQLQIEISA-N 241.331 2.613 0 40 BFAB COc1ccc(-c2nsc(Cl)n2)cc1 47218930 WCLQDELZNYPOIJ-UHFFFAOYSA-N 226.688 2.867 0 40 BFAB COC(=O)c1ccc2sc(C(C)=O)cc2c1 49067012 DGAJQSMBOCJUHW-UHFFFAOYSA-N 234.276 2.891 0 40 BFAB CC1CCN(c2ccccc2-n2cnnc2)CC1 57328184 SQFLEDAWZADXBS-UHFFFAOYSA-N 242.326 2.504 0 40 BFAB Cc1ccccc1OCCc1nc(CO)cs1 57900922 USKQZQQZAVRVQC-UHFFFAOYSA-N 249.335 2.565 0 40 BFAB CC(C)[C@H](NC(=O)C1CC1)c1ccccc1 58230622 NYTNWYFDAHZOON-ZDUSSCGKSA-N 217.312 2.910 0 40 BFAB CCNC(=O)c1c[nH]c2cc(Cl)ccc12 64355041 VVGJBRRKTLLFPW-UHFFFAOYSA-N 222.675 2.571 0 40 BFAB OCc1ccccc1OCCC(F)(F)F 70210543 RNQOCCHNPBFHEA-UHFFFAOYSA-N 220.190 2.510 0 40 BFAB C[C@@H](c1nc(-c2ccccc2)no1)n1ccnc1 71778950 WBUQQHHCNJKQPS-JTQLQIEISA-N 240.266 2.542 0 40 BFAB Cc1cc(SC(C)(C)C)ncc1CN 72223858 CCBSTPIMZPXTIS-UHFFFAOYSA-N 210.346 2.739 0 40 BFAB O=C(O)c1cc2scc(Cl)c2[nH]1 72226023 FDGNVONVURZBLL-UHFFFAOYSA-N 201.634 2.581 0 40 BFAB CC(C)(O)CCN1CCC[C@H]1Cc1ccccc1 72309072 UASRXFKXXZJINS-HNNXBMFYSA-N 247.382 2.855 0 40 BFAB Cc1cc(CN2CCC(C(F)(F)F)CC2)on1 75997337 XYYQBANFOBYLPO-UHFFFAOYSA-N 248.248 2.757 0 40 BFAB CC(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1 78152228 QFLGJBVPCJJYCM-ZIAGYGMSSA-N 217.312 2.534 0 40 BFAB O=C(O)c1coc2c(Br)cccc12 84061152 IJEZISLPHXSBTK-UHFFFAOYSA-N 241.040 2.894 0 40 BFAB in-vitro C[C@@H]1CCC(=O)[C@H](Cc2ccccn2)C1 86355129 XDHBCLWRQHBOKK-MNOVXSKESA-N 203.285 2.629 0 40 BFAB Cc1cc(Br)ccc1-n1cccn1 95348315 QUZDFTSXLKGXGF-UHFFFAOYSA-N 237.100 2.943 0 40 BFAB in-vitro Cc1ccc(C(=O)Nc2c(O)cccc2F)o1 95962397 MGHRVCBNQNRDFW-UHFFFAOYSA-N 235.214 2.685 0 40 BFAB CC(=O)N[C@@H]1CCCc2c1[nH]c1ccc(F)cc21 96118350 OEYSGCPCPXAZDN-CYBMUJFWSA-N 246.285 2.821 0 40 BFAB COc1ccc(/C=C\C(=O)CCNC(C)C)cc1 97447221 GYUDKKPCZCUVPW-DAXSKMNVSA-N 247.338 2.666 0 40 BFAB C[C@H](CNC[C@H]1C[C@H]2C=C[C@H]1C2)c1ccncc1 101544127 YHVCTOFQMNKGNZ-BFJAYTPKSA-N 242.366 2.987 0 40 BFAB COC(=O)N1C=N[C@@H]2[C@@]3(C)C(C)=C(C)[C@]3(C)[C@]21C 104152090 VKKNOGRYQAHSRF-ZZVYKPCYSA-N 248.326 2.600 0 40 BFAB CC[C@@H](N[C@@H]1C=C[C@H](CO)C1)c1ccc(F)cc1 195558606 GJIAQQKXPCVZSI-NILFDRSVSA-N 249.329 2.803 0 40 BFAB CC(C)(C)OC(=O)CCSCc1ccon1 225641704 FJOGSMVGHJXRQR-UHFFFAOYSA-N 243.328 2.640 0 40 BFAB CN(C)C(=O)c1c[nH]c2cc(Cl)ccc12 228927090 OBCQICKWLWCZKE-UHFFFAOYSA-N 222.675 2.523 0 40 BFAB CC(C)CNC(=O)CSCC(C)(C)C 252508122 XDLKDIBUNVSWBF-UHFFFAOYSA-N 217.378 2.538 0 40 BFAB CC(=O)Oc1cccc(C(=O)CC(C)C)c1 309381853 YWMOIAVOSNOJSE-UHFFFAOYSA-N 220.268 2.841 0 40 BFAB CC(C)(C)[C@@H](N)c1ccc([N+](=O)[O-])c(F)c1 380512072 OJYLCSMEAHBSEV-JTQLQIEISA-N 226.251 2.780 0 40 BFAB CSCCC(=O)c1ccc(OC(C)=O)cc1 381023294 AUJIBJJMOSMQCT-UHFFFAOYSA-N 238.308 2.548 0 40 BFAB CC(=O)OCC(=O)c1ccccc1C(C)C 382676887 VOFXHVPEHDPYRO-UHFFFAOYSA-N 220.268 2.556 0 40 BFAB CCSc1nnc(-c2cccs2)o1 416193 UUHWQIJNRVYPJA-UHFFFAOYSA-N 212.299 2.910 0 40 BFAB CCCC[C@H](CC)[C@@H](O)CC(=O)OCCC 1696900 JRKICFRGZMKSPH-RYUDHWBXSA-N 230.348 2.907 0 40 BFAB O=C(C[C@@H]1C=CCC1)Nc1ccccc1 2044094 XQWKOXMSAOMEBD-LLVKDONJSA-N 201.269 2.981 0 40 BFAB CN(C)c1cccc([C@H]2CCCCN2)c1 3734615 JIHTWGIPECVKOO-CYBMUJFWSA-N 204.317 2.567 0 40 BFAB CCn1c(-c2ccccc2F)n[nH]c1=S 4723716 CVZSKGRWKHCTNP-UHFFFAOYSA-N 223.276 2.767 0 40 BFAB O=C(O)c1ccc(O[C@H]2C=CCCC2)cc1 5252778 PDVBRFKIRWATOO-NSHDSACASA-N 218.252 2.872 0 40 BFAB Cc1nc2c(s1)CCc1oc(C(=O)O)c(C)c1-2 6757160 IPIMDELNVOEPIN-UHFFFAOYSA-N 249.291 2.817 0 40 BFAB CCc1cccc(NC(=O)c2cc(C)no2)c1 6789306 AWCCZECZYDGQAR-UHFFFAOYSA-N 230.267 2.798 0 40 BFAB C[C@H](NC(=O)C1CCC1)c1nc2ccccc2[nH]1 9603659 MZOGTTHQYMNYPC-VIFPVBQESA-N 243.310 2.540 0 40 BFAB Cc1cnn(-c2ccc(C(F)(F)F)cn2)c1 15203013 PKSQGCZPTVGNEC-UHFFFAOYSA-N 227.189 2.595 0 40 BFAB O=C(O)CCCSCc1ccccc1 19275152 IBLXLPXUVKDGNI-UHFFFAOYSA-N 210.298 2.785 0 40 BFAB Cc1ccccc1OCCC1CCNCC1 20593602 RQBRBCYRYBTKEM-UHFFFAOYSA-N 219.328 2.764 0 40 BFAB C[C@H](N)c1ccc(OCC(F)(F)F)cc1 22166222 ZARTWYNUPAMSJI-ZETCQYMHSA-N 219.206 2.647 0 40 BFAB CCCCC(=O)Nc1nc2ccccc2n1C 27924227 PIOJSKJXDVYCRQ-UHFFFAOYSA-N 231.299 2.702 0 40 BFAB O=C(NC1(c2ccccc2)CCC1)C1CC1 32843446 DZUMJZALDORAOX-UHFFFAOYSA-N 215.296 2.592 0 40 BFAB O=C(NCCc1ccco1)Nc1ccccc1F 32869817 ZVKYMHOLWVAPES-UHFFFAOYSA-N 248.257 2.783 0 40 BFAB CC(C)c1nn(-c2ccccc2)cc1C=O 36379633 RZHUGYIFPWKFQB-UHFFFAOYSA-N 214.268 2.808 0 40 BFAB in-vitro Cc1cc(N)ccc1C(=O)OC(C)(C)C 39086990 BURPOKPTYKVJAT-UHFFFAOYSA-N 207.273 2.533 0 40 BFAB in-vitro O=C(Oc1ccccc1)c1ccc2[nH]cnc2c1 40467824 YZZHJEUCFVOODM-UHFFFAOYSA-N 238.246 2.782 0 40 BFAB OCc1nc(-c2c(F)cccc2F)cs1 61802785 YLMCBYPHKNAOTH-UHFFFAOYSA-N 227.235 2.581 0 40 BFAB in-vitro C[C@H](N)c1ccc(C(=O)OC(C)(C)C)cc1 66352296 KGWGWHWMJCDRHV-VIFPVBQESA-N 221.300 2.662 0 40 BFAB CC(C)=CC(=O)Nc1ccc2c(c1)NCCC2 69052881 VDLQMWGMLLMNKD-UHFFFAOYSA-N 230.311 2.949 0 40 BFAB CCOc1cc(C(=O)O)nc2c(C)cc(F)cc12 70451516 ICDRZOILUGBTGV-UHFFFAOYSA-N 249.241 2.779 0 40 BFAB C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)c1ccco1 71894484 WMIVYMCADBSEON-QMTHXVAHSA-N 241.290 2.943 0 40 BFAB Cc1c(C(C)C)nc2onc(C)c2c1C(=O)O 72220397 VCYSZTHCPKLIRQ-UHFFFAOYSA-N 234.255 2.661 0 40 BFAB Cc1nc(SC(C)(C)C)ccc1CO 72224897 BIBWQYQODHWGCE-UHFFFAOYSA-N 211.330 2.773 0 40 BFAB CCc1ccccc1NC(=O)C1CCN(C)CC1 74713325 GYEXNFXIBGVIPG-UHFFFAOYSA-N 246.354 2.529 0 40 BFAB C[C@@H](CCc1cccn1C)Nc1ccccn1 78423487 PBCJZTIZFGGTTH-LBPRGKRZSA-N 229.327 2.853 0 40 BFAB Fc1ccc(SC(F)(F)F)c(F)n1 95918412 IDBVYSZMWWIHKV-UHFFFAOYSA-N 215.146 2.972 0 40 BFAB C[C@@H]1CC[C@H]1COc1ccc(C=O)cc1 96526409 YAYZWVXAUIEBFM-PWSUYJOCSA-N 204.269 2.924 0 40 BFAB Cc1nnc(CN[C@@H](C)[C@H](C)c2ccccc2)o1 97048994 CEHTXKRRXZRRJE-QWRGUYRKSA-N 245.326 2.660 0 40 BFAB CCOC(=O)c1ccc(NC(=O)C2CC2)c(C)c1 169807795 YLDQZKQGURQRSN-UHFFFAOYSA-N 247.294 2.520 0 40 BFAB CCOC(=O)[C@@H]1CCC[Si](C)(C)C1 195760423 CULQAARYKPTMAB-SECBINFHSA-N 200.354 2.668 0 40 BFAB N[C@H]1CCC[C@H]1Nc1cccc(C(F)(F)F)c1 218876992 WIUGTKUNWBPPNP-WDEREUQCSA-N 244.260 2.997 0 40 BFAB Cc1cc(NCCN)c2c(Cl)ccc(C)c2n1 222688706 XDDZODPJHYHMCM-UHFFFAOYSA-N 249.745 2.876 0 40 BFAB CCCn1cc(NCc2cnn(C(C)C)c2)cn1 256054296 VTPCTWAMCHLSLH-UHFFFAOYSA-N 247.346 2.683 0 40 BFAB COCc1nn(CCC(F)(F)F)cc1Cl 408715230 HBGGCKFRMWETIS-UHFFFAOYSA-N 242.628 2.635 0 40 BFAB CC[C@@H]1COC(c2cccc(C3CC3)n2)=N1 2297735869 LTWUGUBERMUQQK-SNVBAGLBSA-N 216.284 2.514 0 40 BFAB C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2C 473 YGSVZRIZCHZUHB-COLVAYQJSA-N 231.339 2.546 0 40 BFAB in-vitro Cc1cc(NC(=O)c2ccc(Cl)cc2)no1 30945 CVDHQYKCNQTJJO-UHFFFAOYSA-N 236.658 2.889 0 40 BFAB CCOc1cnc(-c2ccccc2F)o1 1382599 RWNQFGAQRRPFRU-UHFFFAOYSA-N 207.204 2.879 0 40 BFAB CCOCNC(=O)c1ccc(Cl)cc1Cl 2024988 UKMGSPALRXZATE-UHFFFAOYSA-N 248.109 2.717 0 40 BFAB Cc1ccc(C)c(C(=O)O[C@H]2CCCCC2=O)c1 2648786 YOYAHTYQCSAZPO-AWEZNQCLSA-N 246.306 2.972 0 40 BFAB CCOC(=O)[C@H](C)Oc1ccc(CC)cc1 2732083 GBGSGZTXKJSJIY-JTQLQIEISA-N 222.284 2.579 0 40 BFAB C[C@@H]1CCC[C@@H](C)N1C[C@H](O)c1ccccc1 4683115 GIRIKTUDEYKNBW-NFAWXSAZSA-N 233.355 2.983 0 40 BFAB O=C(c1n[nH]c2ccccc12)N1CCCCCC1 8181514 MSXGSFIYMFKVKD-UHFFFAOYSA-N 243.310 2.579 0 40 BFAB Cc1ccc(Cl)cc1N[C@@H](C)C(=O)O 8730590 PDUZQVKUIZORFI-ZETCQYMHSA-N 213.664 2.533 0 40 BFAB CC(C)Sc1nc(-c2ccccc2)n[nH]1 9112938 FIJVPDMPXAIUSD-UHFFFAOYSA-N 219.313 2.972 0 40 BFAB CC1=C(c2nc3ccccc3o2)CC(=O)O1 9664703 QTDPBMLBWOODIE-UHFFFAOYSA-N 215.208 2.506 0 40 BFAB in-vitro Cc1cc(Nc2ccc(N(C)C)cc2)ncn1 11907836 KUTLHDTYSNCEKO-UHFFFAOYSA-N 228.299 2.595 0 40 BFAB COCC(=O)Nc1ccc2c3c(cccc13)CC2 12919040 IBLCSDGCWGJDAQ-UHFFFAOYSA-N 241.290 2.523 0 40 BFAB CCC[C@H](C)NC(=O)c1cc(Cl)c[nH]1 12988458 CNMSHBHIQSISBC-ZETCQYMHSA-N 214.696 2.587 0 40 BFAB Cn1ccnc1Sc1ncnc2sccc12 13109754 SBVLQTWFRBGSQP-UHFFFAOYSA-N 248.336 2.576 0 40 BFAB Cc1ccc(-c2ccc(C(=O)O)o2)cc1C(=O)O 16311837 KOKVVVXHFPIHAF-UHFFFAOYSA-N 246.218 2.651 0 40 BFAB C/C(=C\c1ccc(/C=C(\C)[N+](=O)[O-])cc1)[N+](=O)[O-] 18322876 YDRFYIMGSXCFJK-FIFLTTCUSA-N 248.238 2.962 0 40 BFAB Oc1cccc2ccc(C(F)(F)F)nc12 22014891 FXNSHSNDMVVZGU-UHFFFAOYSA-N 213.158 2.959 0 40 BFAB COCc1noc(N)c1-c1ccccc1Cl 26512598 HQHSEKXIXMOJLH-UHFFFAOYSA-N 238.674 2.724 0 40 BFAB C/C=C/CCc1cc(O)c2c(c1)O[C@H](C)[C@H]2CO 31167709 ZBSDHRYEWAUMGA-ISBNUJHVSA-N 248.322 2.758 0 40 BFAB biogenic,in-vitro CCOCCNCc1c(F)cccc1Cl 36229053 AKGALLGWTJMIEE-UHFFFAOYSA-N 231.698 2.605 0 40 BFAB CCOc1ccc(C(C)=O)cc1CN1CCCC1 37386201 DFFBTIHEMZKFOU-UHFFFAOYSA-N 247.338 2.884 0 40 BFAB CCOc1ccc2[nH]c(C)c(CC)c(=O)c2c1 38005070 NPMXYLZKTSLKBY-UHFFFAOYSA-N 231.295 2.798 0 40 BFAB COc1ncccc1NC(=O)c1ccc(C)s1 47554246 LGLJIKCTNPGJFL-UHFFFAOYSA-N 248.307 2.712 0 40 BFAB Cc1ccc(-c2nc3ccsc3c(=O)[nH]2)o1 48606366 JWBOJNQHKYHJMG-UHFFFAOYSA-N 232.264 2.553 0 40 BFAB CC(=O)[C@@H]1C[C@H](c2ccc(Cl)cc2)OC1=O 57529504 GFSYYCBTKYIXJP-WDEREUQCSA-N 238.670 2.533 0 40 BFAB CC(=O)Nc1cccc(OCc2cscn2)c1 60804030 NAGJPZZPLXNHLS-UHFFFAOYSA-N 248.307 2.681 0 40 BFAB Cc1occc1C(=O)N(C(C)C)C1CC1 69414832 LOBDYPSDKSIEGX-UHFFFAOYSA-N 207.273 2.601 0 40 BFAB Cc1cc(CNc2ccccc2F)no1 70925851 QNWXVBXIIWQWCI-UHFFFAOYSA-N 206.220 2.734 0 40 BFAB Cc1cc2nc(Br)[nH]c2cc1C 71256241 OSFZZXAKWLOBPG-UHFFFAOYSA-N 225.089 2.942 0 40 BFAB CCCN1CCC[C@H]1c1ccc(OC)nc1 72211667 DDWBXFINMMRYCA-LBPRGKRZSA-N 220.316 2.637 0 40 BFAB COc1ccc2[nH]c(C)c(C[C@H]3CCCN3)c2c1 75079634 BERFJYMNJDIENC-LLVKDONJSA-N 244.338 2.779 0 40 BFAB O=C(OCC[C@@H]1CCCO1)c1cccc(F)c1 84372020 HJEMVJIDEKDIHW-LBPRGKRZSA-N 238.258 2.552 0 40 BFAB Nc1cc2[nH]ccc2cc1C(F)(F)F 85221391 QQZNJABYWKNVPQ-UHFFFAOYSA-N 200.163 2.769 0 40 BFAB Cc1ccc2nc(C3CC3)cc(C(N)=O)c2c1 89657511 CKGBEYXWGVEJKY-UHFFFAOYSA-N 226.279 2.520 0 40 BFAB O=C1CCCN(Cc2ccccc2)CCC1 91297196 BLVRIFLULZGBNC-UHFFFAOYSA-N 217.312 2.632 0 40 BFAB CCCCCOc1cc(F)cc(CO)c1 95739744 ZBWNRUROTXAKKX-UHFFFAOYSA-N 212.264 2.887 0 40 BFAB CCOCc1ccc(NC(=O)C(C)C)cc1 96441203 ABQRMDWMADOLAQ-UHFFFAOYSA-N 221.300 2.818 0 40 BFAB CC1=NN(c2cccc(C(F)(F)F)c2)C(=O)C1 100213950 FLRFRVFQDVMRPE-UHFFFAOYSA-N 242.200 2.818 0 40 BFAB O=C(O)C(F)(F)c1cc2cc(F)ccc2o1 131832888 ZACMWFFYEWIVRM-UHFFFAOYSA-N 230.141 2.748 0 40 BFAB COC(=O)c1cccn1-c1ccccc1C 223722887 GIJWQLJWINQXSP-UHFFFAOYSA-N 215.252 2.572 0 40 BFAB CCNCc1ccc(CC(C)C)n1CC 226020291 PSDJPJMDTFTXGR-UHFFFAOYSA-N 208.349 2.816 0 40 BFAB CCCCNc1cn(C(F)F)nc1C 256050862 GUKVAMYVBUVJIM-UHFFFAOYSA-N 203.236 2.799 0 40 BFAB CC[C@@H](Cl)C(=O)c1cccc(N(C)C)c1 382677801 ZUNHALLAXGWTGY-LLVKDONJSA-N 225.719 2.953 0 40 BFAB Cc1csc(C(=O)N2CCC(F)(F)CC2)c1 405082330 HCGLILKQWOIFAZ-UHFFFAOYSA-N 245.294 2.928 0 40 BFAB CC(C)(C)N1NC2(CCCCCC2)NC1=S 90224 WIPPCJFYHIPHBB-UHFFFAOYSA-N 241.404 2.530 0 40 BFAB Cc1c(Cl)cccc1SCC(=O)O 132045 MYYDJXQRXGECKC-UHFFFAOYSA-N 216.689 2.825 0 40 BFAB CCN(CC)CCCN1C[C@@H]2CCCC[C@H]2C1 1676241 JPQGOWFNIVVTHE-GJZGRUSLSA-N 238.419 2.840 0 40 BFAB CCC(CC)C(=O)N1C[C@H](C)C[C@@H](C)C1 2764619 UYYYTCYXIRSCDM-GHMZBOCLSA-N 211.349 2.927 0 40 BFAB CCCn1cc(CCN)c2cc(C)ccc21 9423718 QQCMYEYEBHSNHG-UHFFFAOYSA-N 216.328 2.861 0 40 BFAB CCN(CC)C(=O)CCc1ccc(C)cc1 10339061 DTXRKHQSLVQDHX-UHFFFAOYSA-N 219.328 2.796 0 40 BFAB CC[C@@H](C)NC(=O)c1cccc(C)c1C 12976322 LPPROGVFRVWLSH-SNVBAGLBSA-N 205.301 2.832 0 40 BFAB CCOC(=O)[C@@H](CCc1ccccn1)C(C)C 13209100 BNQJERDDDIMRMH-ZDUSSCGKSA-N 235.327 2.850 0 40 BFAB CC(C)(C)c1ccc(Cn2cc(N)cn2)cc1 19810588 GBROTYNZABHCKU-UHFFFAOYSA-N 229.327 2.811 0 40 BFAB CCN(CC)C(=O)[C@H](C)Oc1cccc(C)c1C 20110343 BRRBWLNCYJAIPU-ZDUSSCGKSA-N 249.354 2.939 0 40 BFAB CCN(CCC(=O)O)c1ccc(Cl)c(C)c1 20133856 HPVFBGBDCBZMOP-UHFFFAOYSA-N 241.718 2.949 0 40 BFAB CCN(CC(=O)O)c1cccc2ccccc12 21046783 NSSWJKHXKDXFBI-UHFFFAOYSA-N 229.279 2.751 0 40 BFAB CC[C@@H](C)C(=O)Nc1ccc(N2CCCC2)nc1 23465093 WGTXCCJXKVQVAM-LLVKDONJSA-N 247.342 2.666 0 40 BFAB O=C(O)c1ccnc2cc(C(F)(F)F)ccc12 26475311 QQKDNYDQVWGDOA-UHFFFAOYSA-N 241.168 2.952 0 40 BFAB CCCCNC(=O)[C@H](C)Oc1ccccc1CC 30870006 WNSJENZIBHDJFL-LBPRGKRZSA-N 249.354 2.933 0 40 BFAB O=C(O)c1cc2cc(Br)sc2[nH]1 32625251 XAFRVVYPVBHBMA-UHFFFAOYSA-N 246.085 2.690 0 40 BFAB C[C@@H](NC(N)=S)c1ccc(Cl)cc1Cl 34971886 TZOJBQPAHVWAOP-RXMQYKEDSA-N 249.166 2.888 0 40 BFAB in-vitro COc1ccccc1[C@@H](O)c1ccsc1 37464972 ZFMZVRDZKRJBPD-LBPRGKRZSA-N 220.293 2.838 0 40 BFAB O=C(O)c1nc(-c2ccsc2)cs1 40435370 XWDJFILHNHMMPP-UHFFFAOYSA-N 211.267 2.570 0 40 BFAB CCOC(=O)c1ccc(NC(C)(C)C)c(N)c1 41079741 DHHDJDSBLWTIQL-UHFFFAOYSA-N 236.315 2.656 0 40 BFAB CCC(CC)C(=O)N1CCO[C@H]2CCCC[C@H]21 41194572 YOPFGUNYXPWGOF-OLZOCXBDSA-N 239.359 2.593 0 40 BFAB CC(C)O[C@H](CN)c1ccccc1Cl 43087721 XKVBXFWPEVSQDW-LLVKDONJSA-N 213.708 2.765 0 40 BFAB COc1ccc(NC(=O)NCc2ccoc2)cc1 47697745 BLVIWLUSCZMYCF-UHFFFAOYSA-N 246.266 2.610 0 40 BFAB NCC1(c2c(F)cccc2F)CCCC1 47843978 OPMVQGTXUIMFNO-UHFFFAOYSA-N 211.255 2.735 0 40 BFAB in-vitro Cc1cc(C)cc(-c2nc(C(=O)O)co2)c1 48215286 KHLSBMPNVRRFHD-UHFFFAOYSA-N 217.224 2.657 0 40 BFAB Cc1cc([C@H](O)c2ccco2)ccc1F 55204606 JYDQEBHTXTWTPX-LBPRGKRZSA-N 206.216 2.809 0 40 BFAB Fc1ccccc1OCc1ccncc1 70256095 ZOXDJKGVOCFFSQ-UHFFFAOYSA-N 203.216 2.800 0 40 BFAB C[C@](CO)(c1ccccc1Cl)N1CCCC1 70453427 FZMPXHCQEZFDDB-ZDUSSCGKSA-N 239.746 2.643 0 40 BFAB Cc1cc(N(C)C)ncc1C(=O)c1ccccc1 72223103 LKDRDAXTFULRGK-UHFFFAOYSA-N 240.306 2.687 0 40 BFAB OCc1nc2ccc(C(F)(F)F)cc2s1 75844629 LZJPLKUVZZBKQF-UHFFFAOYSA-N 233.214 2.807 0 40 BFAB CC(=O)c1cc(C(=O)O)ccc1OC1CCCC1 85390046 SOIBVYCEUHRRDJ-UHFFFAOYSA-N 248.278 2.909 0 40 BFAB CC[C@@H]1CC[C@@H](NC[C@@H]2CCCn3ccnc32)C1 89948233 FQWBUBDKNHTEOY-HZSPNIEDSA-N 247.386 2.929 0 40 BFAB Cc1ccoc1[C@@H](C)NCC[C@@H]1CCCO1 95978101 PMMVDUHQBOMIKS-NEPJUHHUSA-N 223.316 2.808 0 40 BFAB Cc1noc([C@@H]2CCCN(CC3CCCC3)C2)n1 97153551 FKBCLJOTLSLGIY-CYBMUJFWSA-N 249.358 2.748 0 40 BFAB CC(C)CC(=O)N[C@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 101702740 RTEATVNILBCDSE-LPWJVIDDSA-N 223.360 2.973 0 40 BFAB COC(=O)c1ccc(C(=O)C2CCCCC2)[nH]1 139331042 UZBRJYGZTVSNJD-UHFFFAOYSA-N 235.283 2.564 0 40 BFAB CCCc1nc2c(s1)[C@H](CC)NCC2 218332294 LUIKPAYRWKBVSR-QMMMGPOBSA-N 210.346 2.692 0 40 BFAB C[C@H](C(=O)O)N(C)c1cc(Cl)cc(Cl)c1 224995419 ZEGNDFFVGLZLTA-ZCFIWIBFSA-N 248.109 2.903 0 40 BFAB Cc1cc(C)c(N(C)[C@@H](C)C(=O)O)c(C)c1 225005606 DTRLTMRNYYVHIT-NSHDSACASA-N 221.300 2.521 0 40 BFAB CC[C@H](C)n1nccc1CNc1nn(C)cc1C 256053056 PUONXALGKDGHEF-NSHDSACASA-N 247.346 2.508 0 40 BFAB N[C@@H](C[C@@H](CCO)C(F)(F)F)c1ccccc1 256053448 RMVNTJUVZGGYGE-MNOVXSKESA-N 247.260 2.637 0 40 BFAB CCCCC(=O)c1ccc(C(=O)OCC)o1 309376897 VWMVEKVPHGJPMO-UHFFFAOYSA-N 224.256 2.829 0 40 BFAB N#Cc1ccccc1Oc1ccncc1C#N 399506310 LIXDYCCHOCKZEK-UHFFFAOYSA-N 221.219 2.617 0 40 BFAB Cc1cc(N2CCC[C@H](CF)C2)nc(C2CC2)n1 882801065 BYGAMUKYTMGHLS-LLVKDONJSA-N 249.333 2.848 0 40 BFAB O[C@@H](c1c(Cl)cncc1Cl)C(F)(F)F 1536083629 MMYPVCBSTALUJD-LURJTMIESA-N 246.015 2.984 0 40 BFAB Clc1cncc2c(Br)c[nH]c12 1542984503 IYFFYYRKUGDLIC-UHFFFAOYSA-N 231.480 2.979 0 40 BFAB CC[C@H]1C(=O)O[C@H](c2ccccc2)C(C)(C)C1=O 128454 BQISGOZGIFFRIQ-DGCLKSJQSA-N 246.306 2.906 0 40 BFAB CC(C)(C)C(=O)O[C@@H]1CC1(Cl)Cl 162222 BZMNBKWURGNGRM-RXMQYKEDSA-N 211.088 2.522 0 40 BFAB Cc1n(-c2ccccc2)c2ccccc2[n+]1C 363837 ZLJNJNZPCMZYEX-UHFFFAOYSA-N 223.299 2.763 0 40 BFAB Cc1occc1C(=O)N1CCCC[C@H]1C 1480385 KUOQNMUBBLLRIL-SECBINFHSA-N 207.273 2.603 0 40 BFAB CCNC(=O)Nc1ccc2[nH]c(C)cc2c1 1501172 KTVULPXPGCWXFC-UHFFFAOYSA-N 217.272 2.618 0 40 BFAB CC(C)CCOC(=O)[C@H]1C[C@@H]2C=C[C@H]1C2 1713028 DHOOHGZXAASGHL-WOPDTQHZSA-N 208.301 2.788 0 40 BFAB NCCCc1c[nH]c2cc(Cl)ccc12 2030302 UPJOMHTVSMFSRN-UHFFFAOYSA-N 208.692 2.713 0 40 BFAB CN1CC[C@@H](c2c[nH]c3ccccc23)C1 2038558 GIUCRWSFDBHBDT-SNVBAGLBSA-N 200.285 2.587 0 40 BFAB O=C(O)[C@@H](c1ccccc1)C1(O)CCCCCC1 2048682 YOOSLHMEUONDPN-CYBMUJFWSA-N 248.322 2.940 0 40 BFAB CCSc1nnc2c(n1)[nH]c1ccccc12 2489940 KCOXSIPWRNPXCP-UHFFFAOYSA-N 230.296 2.618 0 40 BFAB CC(C)Oc1ccc(CSC(=N)N)cc1 4008346 IVCSOPBJGVLFPG-UHFFFAOYSA-N 224.329 2.600 0 40 BFAB Cc1ccccc1N1C[C@@H]2C[C@@H]3C=C[C@@]2(C1)O3 5579781 MOBIGVDUZLHQLF-YDHLFZDLSA-N 227.307 2.529 0 40 BFAB C[C@@H]1SC2=Nc3ccccc3[C@@H](C)N2C1=O 5722424 IYPZCHGAHYHJJG-SFYZADRCSA-N 232.308 2.713 0 40 BFAB O=C(Nc1cccc2cnccc12)C1CCC1 7655288 QRVGHUPKJBIXIK-UHFFFAOYSA-N 226.279 2.973 0 40 BFAB Cc1ccc(Cl)c(O[C@@H]2CCCNC2)c1 12359894 GRLVAJJXUNOVRA-SNVBAGLBSA-N 225.719 2.779 0 40 BFAB in-vitro Cc1cccc(C(=O)N[C@@H](C)c2ccccn2)c1 12539148 IIVWARPLGXNSML-LBPRGKRZSA-N 240.306 2.881 0 40 BFAB CCc1ccc(C(=O)N[C@H](C)CC)cc1 19897682 MDCLUNPPPFCRFX-SNVBAGLBSA-N 205.301 2.777 0 40 BFAB O=C(O)c1conc1-c1ccc(Cl)cc1 20440866 MKYNJVCSVZKIHU-UHFFFAOYSA-N 223.615 2.693 0 40 BFAB in-vitro Nc1cccc(COCC(F)(F)C(F)F)c1 32625249 PLMQEDVNCVIZTM-UHFFFAOYSA-N 237.196 2.686 0 40 BFAB in-vitro Cc1occc1C(=O)N(C)Cc1ccc(F)cc1 32739259 LJJNIPZHRCBALK-UHFFFAOYSA-N 247.269 2.999 0 40 BFAB Cc1cnc(C(=O)N(C)C2CCCCCC2)cn1 32857951 KJRVDJFCVDGLEY-UHFFFAOYSA-N 247.342 2.580 0 40 BFAB CC(C)CCN1Cc2ccc(N)cc2C1 37408487 IVAPZPHQPAQHHW-UHFFFAOYSA-N 204.317 2.631 0 40 BFAB in-vitro Cc1ccccc1CCNC(=O)C(C)(C)C 40460948 ZWGQRACJNKULQK-UHFFFAOYSA-N 219.328 2.700 0 40 BFAB CCC[C@H](C)N(C)Cc1nnc(-c2ccco2)o1 40513792 YZMRONBKDOCCPI-JTQLQIEISA-N 249.314 2.950 0 40 BFAB Cc1ccc(SC[C@H]2CCCN2)cc1 43497076 XKXZKDSWIIRZQS-LLVKDONJSA-N 207.342 2.839 0 40 BFAB NCCCc1ccccc1C(F)(F)F 43559351 FWMPUPCPWDIRFR-UHFFFAOYSA-N 203.207 2.597 0 40 BFAB Cc1ccccc1NCCC(=O)N1CCCCC1 58357788 KGJGCVSBGWXUBI-UHFFFAOYSA-N 246.354 2.810 0 40 BFAB Cc1cc(C)c(-c2cc(C(=O)O)n(C)n2)cc1C 61957801 GQPHHSOBANUSHQ-UHFFFAOYSA-N 244.294 2.711 0 40 BFAB CC[C@H](C)Oc1ccccc1CNCCOC 62729551 ULAICRBFEYYWHG-LBPRGKRZSA-N 237.343 2.600 0 40 BFAB COc1cc2c(N)cc(C)nc2cc1Cl 64874617 GBMNOSCRDVMVJA-UHFFFAOYSA-N 222.675 2.787 0 40 BFAB CC[C@@H](C)Nc1ncccc1[C@H]1CCCN1C=O 72213369 KCHJOWHCWJPCDB-DGCLKSJQSA-N 247.342 2.585 0 40 BFAB CC[C@@H](O)c1cnc(N2CCCCC2)c(C)c1 72222460 LGOJPGMDVPEYHQ-CYBMUJFWSA-N 234.343 2.824 0 40 BFAB CCNC(=O)N1CCC(c2cccs2)CC1 77103552 GRBNNWQBYROARZ-UHFFFAOYSA-N 238.356 2.657 0 40 BFAB Cc1nc(-c2cc(Br)cs2)no1 78774479 SOQRCPKKWJKDOP-UHFFFAOYSA-N 245.101 2.869 0 40 BFAB OCCc1cc(Cl)ccc1Br 85220635 HAKYKQWZRSPYAR-UHFFFAOYSA-N 235.508 2.637 0 40 BFAB Cc1cccnc1CN1CCC2(CCC2)C1 93189390 BORHOWXMMMLFOM-UHFFFAOYSA-N 216.328 2.766 0 40 BFAB CCC[C@@](C)(O)c1cc(F)c(F)c(OC)c1 95739083 BULJFZCRKVQGRP-GFCCVEGCSA-N 230.254 2.981 0 40 BFAB CC(C)Cn1nccc1NC1CCSCC1 95992234 WYMSNPHFHBGSEY-UHFFFAOYSA-N 239.388 2.847 0 40 BFAB CSCCCNC(=O)C1CCCCCC1 96412070 WGSHJDXNHBRPEH-UHFFFAOYSA-N 229.389 2.826 0 40 BFAB CCCN(CC[C@@H](N)C(C)C)Cc1ccco1 96523805 UKDZZCNKBUYJPD-CQSZACIVSA-N 238.375 2.865 0 40 BFAB COP(=O)(OC)[C@@H]1C[C@@H]2CC[C@@H]1C2 100419280 AFYAXLIVZXULKL-IWSPIJDZSA-N 204.206 2.661 0 40 BFAB O=c1ccc(F)cn1CCC1CCCC1 195577581 ZYAXUUMWSYRIGX-UHFFFAOYSA-N 209.264 2.568 0 40 BFAB Cc1cc2nc(C)n(CC(C)C)c2cc1N 223770268 AAJYXIXJLAYTAU-UHFFFAOYSA-N 217.316 2.891 0 40 BFAB Cc1cc2[nH]nc(Br)c2cc1C 238493368 CKHHNUSSMQIJRC-UHFFFAOYSA-N 225.089 2.942 0 40 BFAB CCn1cc(NCCc2ccccc2)c(C)n1 256051285 INNAGQBMSGIHQB-UHFFFAOYSA-N 229.327 2.866 0 40 BFAB O=C(O)c1ccc(C23CC(F)(C2)C3)cc1 258840057 YVRBXGQJCDIKRL-UHFFFAOYSA-N 206.216 2.528 0 40 BFAB COC(=O)CCc1c[nH]c2cc(C)ccc12 341061382 USZHLCSCRLJAJZ-UHFFFAOYSA-N 217.268 2.582 0 40 BFAB CC(C)(C)OC(=O)[C@@H]1C[C@H]1c1cccnc1 1857794687 KOWJMDJLMPFUTR-WDEREUQCSA-N 219.284 2.527 0 40 BFAB Cn1cnc(-c2ccc(C(F)(F)F)c(F)c2)n1 2362801739 PRNQROPAHBSJBV-UHFFFAOYSA-N 245.179 2.640 0 40 BFAB COc1c2cc3c(cc2nc2occc12)OCO3 900237 VPNYHHBCMOYPCJ-UHFFFAOYSA-N 243.218 2.718 0 40 BFAB biogenic,in-vitro CCOCCOC(=O)CCC1CCCCC1 1586564 JHTMKJPPERDVQH-UHFFFAOYSA-N 228.332 2.927 0 40 BFAB O[C@@H](C[C@H](O)c1ccccc1)c1ccccc1 1646488 XHHXJXGIYFQFOQ-GJZGRUSLSA-N 228.291 2.844 0 40 BFAB biogenic,in-vitro CCC(=O)Nc1nc2ccc(C)cc2s1 1852973 FYVZICCAKDFHHX-UHFFFAOYSA-N 220.297 2.953 0 40 BFAB N[C@@H](CCN1CCCCC1)c1ccccc1 2538805 AQRWYAQXDIBCCU-AWEZNQCLSA-N 218.344 2.562 0 40 BFAB O=C(O)c1cc(C2CC2)nc2c(F)cccc12 3756752 PNOZRMQXWSVAND-UHFFFAOYSA-N 231.226 2.950 0 40 BFAB Cc1ccc(C)c(C(=O)CC(C)(C)C(=O)O)c1 3843411 WKKYTPXZTOHEPJ-UHFFFAOYSA-N 234.295 2.987 0 40 BFAB biogenic COc1cc(N)ccc1-c1ccc(C(C)=O)o1 4245230 BZTSGZQRGCYNPD-UHFFFAOYSA-N 231.251 2.740 0 40 BFAB COc1ccc2c(c1)C(=O)c1c-2cc(C)nc1C 5541640 BZRBYBVEMWUFAY-UHFFFAOYSA-N 239.274 2.918 0 40 BFAB CC(C)CNC(=O)c1cc2ccccc2cc1O 12947415 BPEMBFWAYMFXLZ-UHFFFAOYSA-N 243.306 2.931 0 40 BFAB Cc1ccc(C(=O)N(C)[C@@H](C)C2CC2)cc1 12973466 IPDRSDILWGRCHI-NSHDSACASA-N 217.312 2.866 0 40 BFAB Cc1ccc(N)c(OCc2ccco2)c1 14629694 KDBHMFDZENNEMR-UHFFFAOYSA-N 203.241 2.749 0 40 BFAB CCCCCCc1ccc(C(CO)CO)cc1 19075547 IMHNCOIBUCQPRV-UHFFFAOYSA-N 236.355 2.878 0 40 BFAB CC1CCC(NC(=O)Cc2ccccc2N)CC1 20155729 HENPUFWQBONJDD-UHFFFAOYSA-N 246.354 2.506 0 40 BFAB O=C(O)c1ccc(O)c(-c2ccccc2)c1 21950888 LPADJMFUBXMZNL-UHFFFAOYSA-N 214.220 2.757 0 40 BFAB Cc1cccc(-n2cccc2CN)c1C 23993763 PHFCFWCQYWMPEF-UHFFFAOYSA-N 200.285 2.553 0 40 BFAB CC(C)(CN)c1ccc(Br)cc1 32628027 VDIBQWNRSYUNMV-UHFFFAOYSA-N 228.133 2.685 0 40 BFAB in-vitro C[C@@H](N(C)C(=O)c1ccco1)C(C)(C)C 32788127 UDFMXIMOBHBERZ-SECBINFHSA-N 209.289 2.786 0 40 BFAB CC(C)(C)c1cccc2cc(F)c(=O)[nH]c12 33373880 OITVDLGHQNMTLY-UHFFFAOYSA-N 219.259 2.965 0 40 BFAB O=C(c1ccco1)N1CCC[C@@H]1c1ccncc1 36397175 SWRXQWQHTZDTQX-GFCCVEGCSA-N 242.278 2.652 0 40 BFAB CC(=O)c1oc2cc(C)ccc2c1CC(=O)O 38339709 OKUHJKCNINJNLA-UHFFFAOYSA-N 232.235 2.571 0 40 BFAB Fc1cccc(-c2nc(-c3ccncc3)n[nH]2)c1 40164162 XSHLZHWBLXDIJH-UHFFFAOYSA-N 240.241 2.673 0 40 BFAB O=C(CC[C@H]1CCCO1)Nc1ccccc1 40505823 VNNIHXGPXFBADT-GFCCVEGCSA-N 219.284 2.584 0 40 BFAB CC1(C)CC[C@H](C(=O)O)c2ccccc21 40740209 WZXRUGMJTCDPDH-JTQLQIEISA-N 204.269 2.926 0 40 BFAB in-vitro Fc1ccccc1Cc1nsc(Cl)n1 47218911 QWIQBHNVCNVDFF-UHFFFAOYSA-N 228.679 2.921 0 40 BFAB Fc1cc2nc(C(F)(F)F)[nH]c2cc1F 48356852 FZDWJBKYLPEHMU-UHFFFAOYSA-N 222.116 2.860 0 40 BFAB O=Cc1cccc(C(=O)c2ccc(F)cc2)c1 49821088 OKXUEVSOUHBRGI-UHFFFAOYSA-N 228.222 2.869 0 40 BFAB CCC(=O)CSc1ccc(NC(C)=O)cc1 50182024 YOLIUXFHBMXWQN-UHFFFAOYSA-N 237.324 2.716 0 40 BFAB Fc1cccnc1NCc1ccccc1 54700487 YBBQSNSVDQEBQW-UHFFFAOYSA-N 202.232 2.833 0 40 BFAB CCCN(CCC)Cc1nc(-c2ccco2)no1 65493080 AOCGRMLAPXPPPJ-UHFFFAOYSA-N 249.314 2.952 0 40 BFAB Cc1nc(S)ccc1[C@H](N)c1ccccc1 72224835 SXVWSGHKILFFFK-CYBMUJFWSA-N 230.336 2.727 0 40 BFAB Cc1cccc([C@@H]2CN(C3CCCC3)CCO2)n1 72381177 IHCYGRIDXVKWRF-HNNXBMFYSA-N 246.354 2.706 0 40 BFAB CC(C)(C)OC(=O)NCc1ccccc1F 75244079 NKMBCTDYIIRIKW-UHFFFAOYSA-N 225.263 2.850 0 40 BFAB CCCCc1cc(NC(=O)c2cc(C)no2)on1 81760834 IEEQDYQYIQKUOO-UHFFFAOYSA-N 249.270 2.566 0 40 BFAB Cc1c(Cl)cccc1NC(=O)c1cnco1 82324686 ITCKJQQBJOPNJV-UHFFFAOYSA-N 236.658 2.889 0 40 BFAB c1ccc2c([C@H]3NCCS3)ccnc2c1 82665171 OWSLTRTWOOXUCG-LBPRGKRZSA-N 216.309 2.570 0 40 BFAB CC1CC(COc2cccc(C(=O)O)c2)C1 85391448 DVJYQCKNHGPBBD-UHFFFAOYSA-N 220.268 2.810 0 40 BFAB CCN1CCO[C@@H]1c1ccc(Cl)cc1 90459659 LTUVCWUGZHPODX-LLVKDONJSA-N 211.692 2.691 0 40 BFAB N[C@H](c1ccccc1)[C@H](CO)Cc1ccccc1 90866213 ICQKDZDZTLESGV-JKSUJKDBSA-N 241.334 2.538 0 40 BFAB COc1cc([C@](C)(O)C2CC2)cc(F)c1F 96543353 KADBKOALHQRUQH-GFCCVEGCSA-N 228.238 2.591 0 40 BFAB Cc1cc(C)nc(NC(=O)N(C)C2CCC2)c1 97143105 BKSTXRVGVAYEJE-UHFFFAOYSA-N 233.315 2.715 0 40 BFAB Nc1cccc2[nH]c(C(F)(F)F)cc12 108270578 GLFAGAAILSXSOQ-UHFFFAOYSA-N 200.163 2.769 0 40 BFAB COCOc1ccc(C)c(Br)c1 145383653 WCUKHLZDZKLPEQ-UHFFFAOYSA-N 231.089 2.740 0 40 BFAB CC[C@H](NN)c1ccc(Cl)c(Cl)c1 161782991 LGUXYWJJTKCTSH-VIFPVBQESA-N 219.115 2.908 0 40 BFAB Fc1c(Br)cc2ncoc2c1F 169805249 OKAFPLGKZANJBW-UHFFFAOYSA-N 233.999 2.869 0 40 BFAB O=C(O)c1sc2c(O)cc(O)cc2c1Cl 228938385 NDQHPTLLWINFBB-UHFFFAOYSA-N 244.655 2.664 0 40 BFAB COc1ccc(NC(=O)[C@@H]2CC23CCC3)cc1 34174 ARBZHNBCGNQINX-LBPRGKRZSA-N 231.295 2.824 0 40 BFAB O[C@H]1CCCC[C@H]1O[C@@H]1CCc2ccccc2C1 1697149 URWHCJCJJUVQBA-OWCLPIDISA-N 246.350 2.864 0 40 BFAB O=c1cc(-c2ccco2)oc2ccc(O)cc12 2888825 CKWSEFYWNCOCGR-UHFFFAOYSA-N 228.203 2.759 0 40 BFAB Cn1ccnc1SCc1cccc(F)c1 5941965 VCGIYVZIIKDKSQ-UHFFFAOYSA-N 222.288 2.852 0 40 BFAB CC(C)Oc1ccc(CO)cc1Br 8727835 CCCXBHJGSVZFJJ-UHFFFAOYSA-N 245.116 2.729 0 40 BFAB O=C(NCCc1ccccc1F)c1cccs1 12877541 YXBBHKXNJQQTOA-UHFFFAOYSA-N 249.310 2.860 0 40 BFAB C[C@H]1C[C@@H]1C(=O)Nc1ccccc1Cl 14373333 JUIGCSWMUCBRRG-YUMQZZPRSA-N 209.676 2.935 0 40 BFAB CCCc1nc(Cl)n(-c2ccccc2)n1 22125135 HZFXSKHJHNPDHG-UHFFFAOYSA-N 221.691 2.873 0 40 BFAB Cc1cc(C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1N 22217191 KOTMPFBBTGPNJL-IINYFYTJSA-N 246.354 2.886 0 40 BFAB CCNCc1ccccc1OCC(F)(F)F 34658706 OMPKAURCZKGSHO-UHFFFAOYSA-N 233.233 2.737 0 40 BFAB C[C@@](O)(CN)C(c1ccccc1)c1ccccc1 35056312 WEGIMRRECBCCBS-MRXNPFEDSA-N 241.334 2.528 0 40 BFAB CCc1cc(=O)[nH]c(-c2cccc(Cl)c2)n1 36755142 DSHGZPXKKZMLPE-UHFFFAOYSA-N 234.686 2.653 0 40 BFAB Cc1cccc(-c2ncccc2C(=O)O)c1 41226824 ZIRQQICBFGVQSB-UHFFFAOYSA-N 213.236 2.755 0 40 BFAB CCc1ccc2oc(C3CCNCC3)nc2c1 41568936 JKBXMXZKVDWRFV-UHFFFAOYSA-N 230.311 2.857 0 40 BFAB CN(CCC(=O)OC(C)(C)C)Cc1ccccc1 42121773 BQYFORSGNZYYHT-UHFFFAOYSA-N 249.354 2.850 0 40 BFAB CCc1cccc(CC)c1-n1ccnc1 47843989 HLABUWOSYZYNKP-UHFFFAOYSA-N 200.285 2.997 0 40 BFAB in-vitro Cc1ccc(C)c(C(=O)NCc2cc(C)on2)c1 49042646 NXIOLWXYYUZGKO-UHFFFAOYSA-N 244.294 2.530 0 40 BFAB C[C@@H](CN)Cc1ccc(Br)cc1 52946729 WNWPZOPYROHQCF-MRVPVSSYSA-N 228.133 2.586 0 40 BFAB CN(Cc1cccs1)C(=O)C1CCC1 57355252 RQRHLWOASNGUEY-UHFFFAOYSA-N 209.314 2.507 0 40 BFAB CCCN(CCC)Cc1nnc(C(C)(C)C)o1 69420280 WXRAAPCGJQRFNV-UHFFFAOYSA-N 239.363 2.989 0 40 BFAB CCOc1cc([C@H](N)C(F)(F)F)ccc1OC 72190819 RXHLYKAUDCDSCT-JTQLQIEISA-N 249.232 2.656 0 40 BFAB CCCNc1ccc([C@H](O)c2ccccc2)cn1 72225221 JNBJRQADWHAHJG-OAHLLOKOSA-N 242.322 2.985 0 40 BFAB C[C@H](N)c1ccc(Nc2ccccc2)nc1 72225306 OJKKAILNAYOMCR-JTQLQIEISA-N 213.284 2.845 0 40 BFAB Cc1cccc(CN[C@@H](C)C(=O)OC(C)(C)C)c1 78640951 AWFKASIBOIBOBT-LBPRGKRZSA-N 249.354 2.815 0 40 BFAB FC(F)(F)c1ccnc(NC2CCOCC2)c1 90802942 WDVLJQVJRGVIOV-UHFFFAOYSA-N 246.232 2.691 0 40 BFAB Cc1cc(CC(=O)O)cc(C(F)(F)F)c1F 91252093 OEPYHPGEWLYDHQ-UHFFFAOYSA-N 236.164 2.780 0 40 BFAB in-vitro CCOc1c(CNC2CC2)ccc(C)c1C 95094901 HNWDNJLWIQTMCF-UHFFFAOYSA-N 219.328 2.954 0 40 BFAB CCOc1c(F)cc(F)cc1C(=O)CC 95739934 JXNVRJMFZGSLTP-UHFFFAOYSA-N 214.211 2.956 0 40 BFAB CC(=O)Oc1ccc(Br)cc1C 95883779 JWQZSPJVILXASP-UHFFFAOYSA-N 229.073 2.683 0 40 BFAB in-vitro Cc1nc(N)c2cc(-c3ccccc3)oc2n1 96194529 BVBCGVHIJJGFCW-UHFFFAOYSA-N 225.251 2.780 0 40 BFAB CC(C)N(C(=O)CC[C@H]1CCCCN1)C(C)C 96510357 UYMTXXWOBWMVPG-CYBMUJFWSA-N 240.391 2.554 0 40 BFAB CCN(Cc1cc(F)ccc1F)C(C)(C)CO 97096330 BVNFRTKKIDUORC-UHFFFAOYSA-N 243.297 2.558 0 40 BFAB CC(C)[C@@H]1CCCCN1C(=O)Nc1cccnn1 97103656 QMYLPJJBFAQZSW-NSHDSACASA-N 248.330 2.519 0 40 BFAB C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2 102250289 UUBCBMUPTSMOGL-MBJXGIAVSA-N 233.355 2.894 0 40 BFAB COC(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 111674536 WIMAJALMXOJGCA-VHSXEESVSA-N 244.212 2.982 0 40 BFAB Cc1cccc(N[C@H]2CCCC[C@H]2N)c1C 218864106 AOGHWPXCEZQQLB-OCCSQVGLSA-N 218.344 2.985 0 40 BFAB CCCNCc1cc(C)n(CCCOC)c1C 223660877 CTYCCNOALQFPPY-UHFFFAOYSA-N 238.375 2.641 0 40 BFAB O=C(NC1CC1)c1ccc(C(F)(F)F)cc1 141596 BLJZGFYVMHVFHW-UHFFFAOYSA-N 229.201 2.598 0 40 BFAB O=C(CCc1ccccc1)N1CCCCC1 580830 HOJGUDWNFKNCPF-UHFFFAOYSA-N 217.312 2.632 0 40 BFAB O=C1CCSC(=S)N1c1ccc(F)cc1 1565593 SRCRTSWLIBENPQ-UHFFFAOYSA-N 241.312 2.581 0 40 BFAB O=C(CSCc1ccco1)c1ccco1 3265499 BGRNIMABPWYYCY-UHFFFAOYSA-N 222.265 2.989 0 40 BFAB CC[C@]1(C)C[C@]2(C=C[C@@H](O)CC2)CCO1 4026244 MEELPUOSODYWIN-UPJWGTAASA-N 210.317 2.663 0 40 BFAB biogenic CN(C(=S)NCc1ccco1)c1ccccc1 5127290 NHTYDUGGSWWJAK-UHFFFAOYSA-N 246.335 2.791 0 40 BFAB C[C@H](NC(=O)c1ccccc1O)C(C)(C)C 6668516 IYBICXLRHUZDPV-VIFPVBQESA-N 221.300 2.557 0 40 BFAB Cc1csc(NC(=O)[C@H]2CC=CCC2)n1 10554424 ZVRMNQKQTAAMLF-VIFPVBQESA-N 222.313 2.746 0 40 BFAB C[C@H]1C[C@@H](C)CN(Cc2ccccc2C(=O)O)C1 11890747 NMVAWPXCSGVDPE-TXEJJXNPSA-N 247.338 2.863 0 40 BFAB CC[C@](O)(c1ccccc1)c1ccccn1 13209147 WZNNOTSNAIGFJA-AWEZNQCLSA-N 213.280 2.728 0 40 BFAB COC(=O)/C=C(C)\C=C\c1cc(C(C)=O)c(C)o1 17198526 BFFQTAPFPPQJQX-UQIVLYAPSA-N 248.278 2.923 0 40 BFAB CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)O 19803726 ZXBVQYOLEDJCOA-SNVBAGLBSA-N 228.675 2.828 0 40 BFAB in-vitro CCC(=O)Nc1nc(-c2ccc(C)cc2)ns1 27988983 CBBZFJTXJJQGNU-UHFFFAOYSA-N 247.323 2.862 0 40 BFAB CCCc1cc(C(=O)N2CCCC[C@@H]2CC)[nH]n1 29506144 YVOPTNRRFRASRI-LBPRGKRZSA-N 249.358 2.767 0 40 BFAB CCOc1ccccc1NC(=O)c1cccn1C 32962596 IQFJKYDJCWJMGW-UHFFFAOYSA-N 244.294 2.676 0 40 BFAB OCc1cc2ccccc2nc1N1CCCCC1 34847944 QBEHGTMNZVQYJH-UHFFFAOYSA-N 242.322 2.717 0 40 BFAB c1ccc(CNC2CCSCC2)cc1 35120748 PMISIKTYDCYWDS-UHFFFAOYSA-N 207.342 2.672 0 40 BFAB Oc1cnn(-c2ccc(Cl)c(Cl)c2)c1 39334328 NFZXIIBYJXWXCF-UHFFFAOYSA-N 229.066 2.885 0 40 BFAB CC(C)CN(CC(C)C)C[C@@H](N)C(C)C 42034642 OQOVPWBVFCWSIJ-CYBMUJFWSA-N 214.397 2.584 0 40 BFAB CN(CC[C@H]1CCCNC1)Cc1ccccc1 42783374 UPFNTUQBZCDYAN-CQSZACIVSA-N 232.371 2.508 0 40 BFAB CC(C)c1ccc(Br)nc1 44120547 BLQFSODNIHJIEB-UHFFFAOYSA-N 200.079 2.968 0 40 BFAB in-vitro Cc1ccc(C(=O)c2cc(C)ccn2)cc1 45028593 UEXMFVMVMFDQNA-UHFFFAOYSA-N 211.264 2.929 0 40 BFAB CC(=O)N(C)[C@H](C)c1cccc(Cl)c1 45426194 LZKLZUCQDGLRDI-MRVPVSSYSA-N 211.692 2.879 0 40 BFAB C1CCCN(CC[C@@H]2CCCNC2)CCC1 51918917 VGOZZZSXSRMHAG-AWEZNQCLSA-N 224.392 2.642 0 40 BFAB c1ccc2c(c1)CCC[C@@H]2[C@H]1CCCN1 54668486 FZCLJELINMIBEH-UONOGXRCSA-N 201.313 2.859 0 40 BFAB in-vitro CCc1nc(CCNc2cc(C)cc(C)c2)n[nH]1 62719020 DOFRGVCUIYZJJA-UHFFFAOYSA-N 244.342 2.639 0 40 BFAB CC[C@H](COC)NCc1cccc(Cl)c1 70656779 KMCCMIOFAMEDAC-GFCCVEGCSA-N 227.735 2.855 0 40 BFAB CCN(CC)c1ncccc1[C@@H]1CCCCN1 72212908 HBZVFYQWXQXRBL-ZDUSSCGKSA-N 233.359 2.742 0 40 BFAB Cc1nccn1CCC1CCN(C(C)C)CC1 72367717 MWYNQCHWKUNETA-UHFFFAOYSA-N 235.375 2.702 0 40 BFAB COc1ccc(-c2cc(C(N)=O)sc2C)cc1 72655634 DKUIIWJVROVBNH-UHFFFAOYSA-N 247.319 2.831 0 40 BFAB Cc1cc2c(CC(=O)O)csc2s1 75621812 AZNSEOCMXZFVFA-UHFFFAOYSA-N 212.295 2.898 0 40 BFAB CC(C)n1ccnc1-c1ccc(O)cc1 82736702 XOANHQAJGWVEHN-UHFFFAOYSA-N 202.257 2.837 0 40 BFAB CCOC(=O)[C@H](CC)Oc1ccc(F)cc1F 84119802 XMNUBMYMOABVGR-JTQLQIEISA-N 244.237 2.685 0 40 BFAB in-vitro CN(CCc1ccccc1)CC1(N)CCCCC1 88243049 COPBDFNMLBPKSH-UHFFFAOYSA-N 246.398 2.823 0 40 BFAB O=C1[C@H](SC2CCCCC2)CCN1C1CC1 89818467 YTSIZZXNEJZWGP-GFCCVEGCSA-N 239.384 2.816 0 40 BFAB CC(C)N1CC[C@@H](Sc2cccs2)C1=O 98016320 CBCKWHAAPCKBPH-SECBINFHSA-N 241.381 2.850 0 40 BFAB O=C(OCc1ccccc1)N1C[C@@H]2C=C[C@@H]1C2 100073868 NDKQMNWQGHSZMJ-CHWSQXEVSA-N 229.279 2.584 0 40 BFAB COc1ccc(OC)c2c1[C@H]1[C@H]3C=C[C@@H]3[C@@H]3[C@@H]2[C@@H]13 104286231 HAIGLKKQMUZVAS-KGCYBXLSSA-N 240.302 2.946 0 40 BFAB COC(=O)c1cccc2cc(C)ccc12 113625674 QKPWHTVLSINHGS-UHFFFAOYSA-N 200.237 2.935 0 40 BFAB CCOC(=O)CCN(c1ccccc1)C(C)C 173240009 UHLKDWQKRZZPHB-UHFFFAOYSA-N 235.327 2.855 0 40 BFAB COC(=O)c1cn(C(=O)C(C)C)c2ccccc12 216949139 GYJQVQFSAHSKOR-UHFFFAOYSA-N 245.278 2.724 0 40 BFAB O=C(O)[C@H]1C[C@@H]1c1cccc(OC(F)(F)F)c1 223881068 IAJXPXIHBVDVAW-BDAKNGLRSA-N 246.184 2.773 0 40 BFAB Cc1ccccc1OC(=O)Cc1cccc(N)c1 225396553 WJKAYSZTFZQFFJ-UHFFFAOYSA-N 241.290 2.725 0 40 BFAB Clc1cnccc1N1C[C@H]2CC[C@H]1C2 246149942 HNDBOIOOGMIATC-IUCAKERBSA-N 208.692 2.724 0 40 BFAB CCCc1nnc(-c2ccc(F)cc2)o1 32895 ZKWGWLKKNUCTBW-UHFFFAOYSA-N 206.220 2.828 0 40 BFAB CCn1ccc(C(=O)Nc2ccccc2Cl)n1 372338 IVSJEDNCUDARPJ-UHFFFAOYSA-N 249.701 2.809 0 40 BFAB Cc1ccc([C@@H]2N[C@H]2C(=O)c2ccccc2)cc1 1557523 JGTSFRSZLJAAST-LSDHHAIUSA-N 237.302 2.891 0 40 BFAB O=C(O)c1cc(-c2ccc(F)cc2)ccc1O 2565436 CUXSCHTUWINJSV-UHFFFAOYSA-N 232.210 2.897 0 40 BFAB biogenic Clc1ccc(Cl)c(OC[C@@H]2CO2)c1 4200168 BKYYOPSMOZNITO-ZETCQYMHSA-N 219.067 2.771 0 40 BFAB in-vitro CCCC(=O)Nc1ccc2c(C)cc(C)nc2n1 4931751 OZKOKNVQJNSFHC-UHFFFAOYSA-N 243.310 2.985 0 40 BFAB CCOCCSCCSCCOCC 5462611 ACCZOZLPVQHRMY-UHFFFAOYSA-N 238.418 2.526 0 40 BFAB CCOC(=O)CCCCCO[C@@H]1CCCCO1 5808264 ZEKNHYYXGFWGNI-ZDUSSCGKSA-N 244.331 2.653 0 40 BFAB Fc1cccc(NCc2cccnc2)c1 19920588 JUXAETNYHMDCNA-UHFFFAOYSA-N 202.232 2.833 0 40 BFAB C[C@H]1C[C@@H](C)CN(Cc2ccc(CN)cc2)C1 21952067 YMVFPSOLZLYHIV-BETUJISGSA-N 232.371 2.623 0 40 BFAB CS[C@H](C)C(=O)Nc1cccc(C(C)=O)c1 31674103 CYAMREBAUKRYEM-SECBINFHSA-N 237.324 2.579 0 40 BFAB CC(C)C(=O)N1C[C@@H](C)c2ccccc2N1 38337646 SPKGZPLVSFIOLG-SNVBAGLBSA-N 218.300 2.615 0 40 BFAB O=Cc1cn(Cc2ccccc2)c2ncccc12 40442632 NDDGBIJCCYTIJA-UHFFFAOYSA-N 236.274 2.897 0 40 BFAB Cc1ccc(C(=O)NCc2ccc(C)s2)cn1 48341843 HBWHJGIYSWRLNT-UHFFFAOYSA-N 246.335 2.690 0 40 BFAB Nc1c(C(=O)O)cc(Cl)c(Cl)c1Cl 49588608 BKLCGTIBUBSYTR-UHFFFAOYSA-N 240.473 2.927 0 40 BFAB c1ccc2c(c1)NCCN2C1CCCC1 58439698 ODYHMBBRAZIQQQ-UHFFFAOYSA-N 202.301 2.861 0 40 BFAB CC(C)Oc1ccc(-c2cncn2C)cc1 65380435 CECHBCQGUFLGJF-UHFFFAOYSA-N 216.284 2.874 0 40 BFAB CC[C@@H](C)C(=O)OCc1cccc2cn[nH]c12 71922007 PENYXJUKHXHMQM-SECBINFHSA-N 232.283 2.652 0 40 BFAB CCOc1cc(C(=O)O)cc(C(F)(F)F)c1 90413145 AHUOFGHTONARKM-UHFFFAOYSA-N 234.173 2.802 0 40 BFAB O=C1NC[C@H](c2ccccc2)Cc2ccccc21 96524360 MGBPQWZFLMTGHT-CQSZACIVSA-N 237.302 2.756 0 40 BFAB C[C@H]1CC(=O)[C@@H]2[C@@H](C1)[C@@H]1CC[C@]2(C)CC1=O 104097465 QBVXXJIGLMFGCN-SJPOPJSGSA-N 220.312 2.607 0 40 BFAB CCN(CC)CCCSc1ccncc1 194551452 OWOWUUCNFWHVND-UHFFFAOYSA-N 224.373 2.906 0 40 BFAB O=Cc1ccc(OCC(F)F)cc1Cl 236149616 YIAGESYXJQANFQ-UHFFFAOYSA-N 220.602 2.796 0 40 BFAB Cn1cccc1CNc1cnn(C2CCCC2)c1 256055036 YWEOLMOISDVHAU-UHFFFAOYSA-N 244.342 2.949 0 40 BFAB O=C(Cc1cccnc1)Nc1cccc(F)c1F 334321118 HOJJMPQEHOIDLU-UHFFFAOYSA-N 248.232 2.541 0 40 BFAB CN1CCC(Oc2nccc3ccccc23)CC1 585652747 VBYOZSDBNNPOPX-UHFFFAOYSA-N 242.322 2.708 0 40 BFAB CCOC(=O)OCC(C)(C)C(F)(F)F 1083809156 PPPKQOMNXDYPGQ-UHFFFAOYSA-N 214.183 2.748 0 40 BFAB COc1ccc(Nc2ncnc(C)c2F)cc1 1888859570 TWTOYHRFLOKAIO-UHFFFAOYSA-N 233.246 2.676 0 40 BFAB CSCC(=O)Nc1ccc(F)c(Cl)c1 142630 LEROBRNYCQGXOJ-UHFFFAOYSA-N 233.695 2.781 0 40 BFAB Cc1nn(C)cc1C(=O)Nc1ccc(Cl)cc1 900434 UHLCEWIPLFVDLV-UHFFFAOYSA-N 249.701 2.634 0 40 BFAB CC(C)c1ccc(C(=O)NC[C@H]2CCCO2)cc1 1284116 LCEWNOJXBYPNKU-CQSZACIVSA-N 247.338 2.719 0 40 BFAB CN(C)CCCN1CCC2(CCCCC2)CC1 1697460 HLQZGVFXXFVXIB-UHFFFAOYSA-N 238.419 2.984 0 40 BFAB CCOP(=O)(OCC)N(CC)CC 1799343 SZAAJLKHJPJRJQ-UHFFFAOYSA-N 209.226 2.509 0 40 BFAB CCCCC(=O)Nc1ccccc1C(=O)OC 2073351 OJQBRWWDOVNDPP-UHFFFAOYSA-N 235.283 2.602 0 40 BFAB CCCCOc1ccc([C@@]2(C)CC(=O)N2)cc1 2097678 XEMSORLEBBRTJC-CQSZACIVSA-N 233.311 2.601 0 40 BFAB biogenic CC[C@@H](C)SCC(=O)N1CCC(C)CC1 3222999 IKCKLWDMZOLZQV-LLVKDONJSA-N 229.389 2.777 0 40 BFAB C[C@@H]1CCCN(CC(=O)c2ccccc2F)C1 3306805 NCUQLIHPAJDEAY-LLVKDONJSA-N 235.302 2.740 0 40 BFAB CCCCC(=O)N[C@H](C)c1nc2ccccc2[nH]1 9466809 ZADUTMQYNJMWCZ-SNVBAGLBSA-N 245.326 2.930 0 40 BFAB COc1cccc(NC(=O)NCCC(C)C)c1 13048737 ZTONDYORXXVSKT-UHFFFAOYSA-N 236.315 2.863 0 40 BFAB O=C(Nc1ccncc1)c1cccc2ncccc12 14334426 HQZUHWRDVTZVRK-UHFFFAOYSA-N 249.273 2.882 0 40 BFAB CCCNC(=O)N[C@H](C)c1ccc(F)cc1 20538232 JOZCEBMSWIHTFJ-SECBINFHSA-N 224.279 2.596 0 40 BFAB O=C(O)c1cc(Cc2ccccc2)ccc1O 28650416 AFIMKCDXMUVHON-UHFFFAOYSA-N 228.247 2.681 0 40 BFAB in-vitro Cn1cccc1-c1csc(NC2CC2)n1 29599460 PNXIOXPTJRLGAA-UHFFFAOYSA-N 219.313 2.723 0 40 BFAB Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](C)C2)cn1 32029739 ZDQMHYYPXBUFPZ-ZWNOBZJWSA-N 232.327 2.699 0 40 BFAB Cc1cc(C(=O)NCC(C)C)c(C)s1 32747780 JECNHRLZEIZFHG-UHFFFAOYSA-N 211.330 2.751 0 40 BFAB C[C@H](NC(=O)NCC1CC1)c1cccc(F)c1 32909454 QUWJUPZHNJCWLM-VIFPVBQESA-N 236.290 2.596 0 40 BFAB Cc1csc(COc2ccccc2C=O)n1 33421401 FTSGVCVFDLHABE-UHFFFAOYSA-N 233.292 2.843 0 40 BFAB CC[C@H](C)N[C@@H]1CCc2ccccc2C1 34994255 DWSRRLUXUCZMOR-SMDDNHRTSA-N 203.329 2.932 0 40 BFAB CCc1ccc(C(=O)Nc2nccs2)o1 36391406 MPFPGNDGISIELY-UHFFFAOYSA-N 222.269 2.551 0 40 BFAB CC[C@H](N)C(=O)Nc1ccc2ccccc2c1 37014763 XCEPZBLMRFFFBC-ZDUSSCGKSA-N 228.295 2.516 0 40 BFAB C[C@H](O)/C=C/c1ccc(Br)cc1 38841436 QVAMPRCBAQIQBI-SGJFDWMWSA-N 227.101 2.843 0 40 BFAB Cc1ccc([C@@H](O)c2ccoc2)cc1C 40241881 FCOXOSLXLGWHCY-CYBMUJFWSA-N 202.253 2.978 0 40 BFAB Nc1cc(Cc2ccc(Cl)cc2)no1 41218142 GCVOOZZNUVTMDA-UHFFFAOYSA-N 208.648 2.501 0 40 BFAB CCOC(=O)c1csc(-c2cccc(N)c2)n1 41626764 IAWASZVWQFHEHX-UHFFFAOYSA-N 248.307 2.569 0 40 BFAB O=c1[nH]cc(-c2ccc(Cl)cc2)s1 42784450 DEVLIYWCGXQTMM-UHFFFAOYSA-N 211.673 2.757 0 40 BFAB Cc1onc(-c2c(F)cccc2F)c1C(=O)O 70535711 QCUZVPJWNWJVAV-UHFFFAOYSA-N 239.177 2.626 0 40 BFAB COCc1cccc(OC(=O)c2ccco2)c1 71903256 KOPNWBWHLLVGIQ-UHFFFAOYSA-N 232.235 2.645 0 40 BFAB COc1ccc(SC(C)C)cc1C(=O)O 82293470 ASQVDQYZQBVNGL-UHFFFAOYSA-N 226.297 2.894 0 40 BFAB O=C(O)[C@H](c1ccncc1)C1CCCCC1 83010683 LCOQAOKOYAJCQQ-LBPRGKRZSA-N 219.284 2.830 0 40 BFAB O=Cc1cnc(Cl)c(C(F)(F)F)c1 85223677 IPROARAVDNVOJZ-UHFFFAOYSA-N 209.554 2.566 0 40 BFAB CC(C)[C@H](O)c1cncc(Br)c1 87281340 GSJHXNYTKCWCEX-VIFPVBQESA-N 230.105 2.534 0 40 BFAB O=C(c1cscn1)N1CCC[C@@H]2CCC[C@@H]21 87772035 HPPJLIVZOORYBH-ONGXEEELSA-N 236.340 2.548 0 40 BFAB CC1(c2cc(Br)ccn2)CC1 88190217 MTCUFGSMUDIWDV-UHFFFAOYSA-N 212.090 2.896 0 40 BFAB in-vitro CC[C@H](c1ccncc1)N(C)CCCF 92224038 NPNDQELOWITZGP-GFCCVEGCSA-N 210.296 2.824 0 40 BFAB COCC[C@H](NCc1cccc(C)n1)C(C)C 95420619 BKDRPLCVSULAOD-AWEZNQCLSA-N 236.359 2.541 0 40 BFAB CCCc1cnc(-c2ccc(C(=O)O)cc2)nc1 95864353 UCSKMSBLESRIEI-UHFFFAOYSA-N 242.278 2.794 0 40 BFAB CCC(=O)O[C@@H]1C[C@H]2C[C@@H]1[C@@H]1C=CC[C@@H]12 95890363 ZPFJBPIFMMENKC-LZQZFOIKSA-N 206.285 2.540 0 40 BFAB Nc1cccc(OCCCC(F)(F)F)c1 96509103 PFUGPCONGFDGEE-UHFFFAOYSA-N 219.206 2.990 0 40 BFAB Cc1c(F)cc(Cl)c(C(=O)O)c1F 98210787 GOWZQYJWODLKSX-UHFFFAOYSA-N 206.575 2.625 0 40 BFAB CCOc1c(C)cc(Cl)cc1C(=O)O 107395270 OXKZNBYTPGZFBV-UHFFFAOYSA-N 214.648 2.745 0 40 BFAB Cc1ccc([C@@H](O)c2ccccc2)cc1N 142487731 PELSZLADMCRZPN-AWEZNQCLSA-N 213.280 2.659 0 40 BFAB CC[C@H]1Cc2ccccc2CN1Cc1c[nH]cn1 185652517 KXVBRCPFWAAWLP-HNNXBMFYSA-N 241.338 2.747 0 40 BFAB CCOC(=O)c1ccc2cc(OC)ccc2c1O 196139288 KOWHKRCJWGHRSU-UHFFFAOYSA-N 246.262 2.731 0 40 BFAB COc1cc(Cl)c(OC(C)C)c(C(=O)O)c1 214451334 RXJYHQIXJJQYQW-UHFFFAOYSA-N 244.674 2.834 0 40 BFAB CC[C@H](C)c1ncc(/C=C/C(=O)O)s1 218315399 RALMKDNDBPFXPW-KPJROHGDSA-N 211.286 2.754 0 40 BFAB CC(=O)c1cc(C(F)(F)F)c(F)cc1O 238129135 AMSNPCXXIVTJRR-UHFFFAOYSA-N 222.137 2.753 0 40 BFAB in-vitro O=Cc1cc(Cl)cnc1C(F)(F)F 238582189 GCDHUFMYBJASRD-UHFFFAOYSA-N 209.554 2.566 0 40 BFAB c1ccc2c(OC[C@@H]3CCCO3)ccnc2c1 585652441 ZXZCLCIMLNXVDD-NSHDSACASA-N 229.279 2.793 0 40 BFAB O=C(O)C1CC(c2cc(C(F)(F)F)ccn2)C1 1772715204 WNDQCXHYIDQOLS-UHFFFAOYSA-N 245.200 2.679 0 40 BFAB C[C@@H](C(=O)c1ccc(N)cc1)N1CCCCCC1 4272 DAVCBSHRMJPJMY-LBPRGKRZSA-N 246.354 2.716 0 40 BFAB CC(=O)Nc1cc2c(cc1O)-c1ccccc1C2 398743 MNPABTKJCQDDNY-UHFFFAOYSA-N 239.274 2.922 0 40 BFAB biogenic,in-vitro CC1=CC[C@@H]2CO[C@@H](c3ccc[n+](C)c3)[C@@H]1C2 517354 QHCWCHOUDLMCMJ-CFVMTHIKSA-N 230.331 2.555 0 40 BFAB CCCCOP(=O)(CO)OCCCC 1678069 WNLPQGMKIVUYEB-UHFFFAOYSA-N 224.237 2.763 0 40 BFAB CCCCCn1c(CO)nc2ccccc21 1926847 MBPKUACQBFWOCB-UHFFFAOYSA-N 218.300 2.719 0 40 BFAB in-vitro COc1ccc(C(=O)C(C)(C)C)cc1OC 2011236 MAKGAZCLZFWBKC-UHFFFAOYSA-N 222.284 2.933 0 40 BFAB O=Cc1cnc(-c2ccccc2F)s1 2563686 ZTSHJBXTFGIXSF-UHFFFAOYSA-N 207.229 2.762 0 40 BFAB c1ccc(OCCn2nnc3ccccc32)cc1 4487641 UNOVPHFUTGTRKF-UHFFFAOYSA-N 239.278 2.510 0 40 BFAB O=C(NO)Nc1ccc(Cl)c(Cl)c1 4809416 VKYZMAVGJARVPE-UHFFFAOYSA-N 221.043 2.504 0 40 BFAB in-vivo COc1ccc(N[S@@](=O)c2ccccc2)cc1 4958254 OIZJNZHTYORACU-QGZVFWFLSA-N 247.319 2.830 0 40 BFAB CCC[C@H](C)C(=O)Nc1cccc(N)c1 8703410 QSBVERKBBLOVPL-VIFPVBQESA-N 206.289 2.644 0 40 BFAB CCC(CC)C(=O)Nc1ccc(C)c(N)c1 8703524 IIJZCRPMZATHIB-UHFFFAOYSA-N 220.316 2.952 0 40 BFAB C[C@H](CCN)n1nc(C(F)(F)F)cc1C1CC1 12357775 SGLKOBQMDOHWEG-SSDOTTSWSA-N 247.264 2.689 0 40 BFAB C[C@@H](NC(=O)C1CCCCC1)c1cccnc1 12536706 NJFWVJNEKNXEMH-LLVKDONJSA-N 232.327 2.839 0 40 BFAB Cc1cc(NC[C@H](C)c2ccccc2)nn1C 20351660 TYKCTZXRYXXRAG-NSHDSACASA-N 229.327 2.944 0 40 BFAB Cc1cccc(-c2csc3c(=O)[nH]cnc23)c1 21658109 LQSRBDVTAITIPB-UHFFFAOYSA-N 242.303 2.960 0 40 BFAB COc1cc(C(C)=O)c(O)c2ccccc12 22015924 QJSWNSVBYZKFSS-UHFFFAOYSA-N 216.236 2.757 0 40 BFAB C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(N)cc1 22215730 RJVODUZLXDHLBY-GHMZBOCLSA-N 232.327 2.672 0 40 BFAB Cc1csc(CNC(=O)Nc2ccccc2)n1 22423331 BBWIDFOBPGXZKV-UHFFFAOYSA-N 247.323 2.773 0 40 BFAB Cc1ccsc1CNC(=O)CCc1ccco1 25720426 ZXUXXARZXSNRKT-UHFFFAOYSA-N 249.335 2.899 0 40 BFAB Cc1cccnc1NC(=O)c1ccsc1 27651328 VTGBUUOCSFURAM-UHFFFAOYSA-N 218.281 2.704 0 40 BFAB C[C@H]1C[C@H](C)CN(C(=O)CCc2cccnc2)C1 32747736 VEWWSQCROMDKAF-STQMWFEESA-N 246.354 2.519 0 40 BFAB Cc1[nH]c2ccc(C(=O)NCC3CC3)cc2c1C 32909783 UPHPBVOVFUQPNL-UHFFFAOYSA-N 242.322 2.925 0 40 BFAB CNc1cc(C)nc2c(OC)cccc12 41474690 CQGSFEYORGXDRT-UHFFFAOYSA-N 202.257 2.594 0 40 BFAB CC(=O)c1ccccc1OCCC1CCNCC1 42771424 QRIXJCBSZMFDIB-UHFFFAOYSA-N 247.338 2.658 0 40 BFAB CCCc1ccc(O[C@H]2CCCNC2)cc1 42782878 GDQIWIGCLNZZLX-AWEZNQCLSA-N 219.328 2.770 0 40 BFAB O=C1CCc2c1[nH]c1ccc(Cl)cc21 49538567 GSWMOQYMNZTVSB-UHFFFAOYSA-N 205.644 2.950 0 40 BFAB CC(C)=CC(=O)N(Cc1cccnc1)C(C)C 58572279 WXJFOBGWFZKURG-UHFFFAOYSA-N 232.327 2.785 0 40 BFAB Nc1cc(C(=O)O)cc(-c2ccccc2F)c1 65349593 BKHNNZAHBVIEKI-UHFFFAOYSA-N 231.226 2.773 0 40 BFAB COc1ccccc1/C=C/CNC(C)C 67796662 GUJQJBAOZOHZNL-SOFGYWHQSA-N 205.301 2.706 0 40 BFAB CC[C@@H](O)c1cnc(NC(C)C)cc1C 72223006 ZFFUKIDUYNVYKJ-LLVKDONJSA-N 208.305 2.654 0 40 BFAB Cc1nc2ccc(Br)cc2n1C 76209869 XXPOCWQCTILEQZ-UHFFFAOYSA-N 225.089 2.644 0 40 BFAB CCc1nc(C)ncc1C(=O)N[C@@H](C)C(C)(C)C 96486744 AYNSAHCLZPULCM-VIFPVBQESA-N 249.358 2.512 0 40 BFAB Cc1cc(C(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)no1 101494775 XZTDGTZGCCWLJK-QCNOEVLYSA-N 248.326 2.538 0 40 BFAB Cc1noc([C@H](C)SCC[C@H]2CCCO2)n1 195576805 BXORNHOOZUNCTR-WCBMZHEXSA-N 242.344 2.741 0 40 BFAB CCn1cc(C(=O)O)c2c(C)cccc21 199739782 GEVYZBGIRMDFIU-UHFFFAOYSA-N 203.241 2.668 0 40 BFAB CCCCC1=NN[C@@H]2CC(C)(C)CC(=O)[C@@H]12 228922452 GHKFVHGKBZXDRX-PWSUYJOCSA-N 222.332 2.510 0 40 BFAB CCCn1ccc(NCCc2ccccc2)n1 256050359 DSYFZIDZSDNFCJ-UHFFFAOYSA-N 229.327 2.948 0 40 BFAB O=Cc1ccc(-c2cc(C(F)(F)F)n[nH]2)o1 857754837 JYRHVDATIYWJBJ-UHFFFAOYSA-N 230.145 2.501 0 40 BFAB Cc1cc(=O)c2ccc3c(C)c(C)n(C)c3c2[nH]1 33728 OQPFTOMTGHWDAJ-UHFFFAOYSA-N 240.306 2.945 0 40 BFAB Cc1nccnc1Sc1ccccc1 1687845 VTUFUZBJQBYXKY-UHFFFAOYSA-N 202.282 2.936 0 40 BFAB COc1ccc([C@](C)(O)C(C)C)c(OC)c1 2034116 LNLATAQPCHWIOX-CYBMUJFWSA-N 224.300 2.567 0 40 BFAB O=C(CC1CCCCC1)OC[C@@H]1CCCO1 2045238 FTWOVEKHKHMZTF-LBPRGKRZSA-N 226.316 2.679 0 40 BFAB C[C@H](NC(=O)c1ccccn1)c1ccc(F)cc1 3344761 YFHWYTUOFFKNTA-JTQLQIEISA-N 244.269 2.712 0 40 BFAB O=C(c1ccccc1Cl)C1CCNCC1 8699545 BTRYGLDUFBMBSD-UHFFFAOYSA-N 223.703 2.522 0 40 BFAB Cc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1 8714038 UTEHUKGJDLVHIH-UHFFFAOYSA-N 236.274 2.899 0 40 BFAB in-vitro COC(=O)c1cccc(-c2ccc(CO)o2)c1C 8727943 RSYBMIZDJCROOH-UHFFFAOYSA-N 246.262 2.534 0 40 BFAB CC[C@@H](Nc1cccc(Cl)c1)C(=O)O 8730613 RHRQAWVBTNSLOY-SECBINFHSA-N 213.664 2.615 0 40 BFAB Nc1ccc(Cl)c(C(=O)N2CCCCC2)c1 8732447 RZYPYHANAQCYSO-UHFFFAOYSA-N 238.718 2.548 0 40 BFAB C[C@H]1CCCC[C@H]1NC1=NC[C@@H](C)S1 12504590 JAFZMDNLUBMVJS-IVZWLZJFSA-N 212.362 2.646 0 40 BFAB Cc1ccccc1[C@@H](C)NC(=O)c1ccncc1 17963449 MKDBYSJXHUYIBN-GFCCVEGCSA-N 240.306 2.881 0 40 BFAB Nc1cccc(Cn2cnc3ccccc32)c1 19390799 PBCMAQMJRXLGTE-UHFFFAOYSA-N 223.279 2.667 0 40 BFAB in-vitro Nc1ccc2[nH]c(Cc3ccccc3F)nc2c1 19517661 DCBDDOHZLAXHNC-UHFFFAOYSA-N 241.269 2.875 0 40 BFAB in-vitro Cc1csc(Sc2ccc(N)nc2)n1 19869406 BFKYRDDLCCOFDF-UHFFFAOYSA-N 223.326 2.580 0 40 BFAB Cc1ccc(CN2CCN3CCC[C@@H]3[C@H]2C)cc1 22078257 OKJOQUQEQQRRTE-GDBMZVCRSA-N 244.382 2.664 0 40 BFAB C[C@@H]1CCCCCN1CCN1CCCCC1 22580428 YZYCPFNFIWJCEO-CQSZACIVSA-N 224.392 2.737 0 40 BFAB CC(=O)NCc1ccc(-c2ccc(F)cc2)o1 23182792 WIQKFLKEHREXFD-UHFFFAOYSA-N 233.242 2.722 0 40 BFAB C[C@@H](Cc1ccc(F)cc1)NCc1ccncc1 23279995 HPJOOWDYKHLCIB-LBPRGKRZSA-N 244.313 2.942 0 40 BFAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NC(C)C 30754466 QUEBDPHIPPOOPZ-ZDUSSCGKSA-N 249.354 2.985 0 40 BFAB CCC(=O)NCc1cccc(C(F)(F)F)c1 32994805 QNUYDDFWXGTDNY-UHFFFAOYSA-N 231.217 2.732 0 40 BFAB COc1ccccc1-c1ccnc(Cl)n1 38580118 IZZPOWGOQQEMLG-UHFFFAOYSA-N 220.659 2.806 0 40 BFAB CCN(CCCC(=O)O)c1cccc(C)c1 39110357 XMDUCZFDTFGQSY-UHFFFAOYSA-N 221.300 2.686 0 40 BFAB CC(C)Cn1nccc1NC(=O)[C@@H]1CC=CCC1 40489391 NBDVUBOZAQFIED-GFCCVEGCSA-N 247.342 2.834 0 40 BFAB COc1ccc(COCC[C@@H]2CCCCN2)cc1 42774072 MNFRKZJKCIQXHF-AWEZNQCLSA-N 249.354 2.744 0 40 BFAB CCCNc1ncc(Br)cc1C 42783842 QUXJXXLPHPBJDL-UHFFFAOYSA-N 229.121 2.974 0 40 BFAB CC(C)(C)CCNC(=O)NCc1ccco1 47970186 VFVPZODAQLKRIO-UHFFFAOYSA-N 224.304 2.515 0 40 BFAB Cc1cccc(C(=O)N[C@H](C)C(C)C)c1 57159999 YACSGCBVGZVBRZ-LLVKDONJSA-N 205.301 2.769 0 40 BFAB O[C@H](c1ccoc1)c1cc(F)c(F)c(F)c1 68979240 SSUSAAPFOSUPHI-LLVKDONJSA-N 228.169 2.779 0 40 BFAB O[C@H](c1cccc2cccnc12)C(F)(F)F 69051005 YKNPYLKHKVOZMH-SNVBAGLBSA-N 227.185 2.831 0 40 BFAB Nc1ccccc1OCCC(F)(F)F 70212543 JJUFWPVBYKSQJM-UHFFFAOYSA-N 205.179 2.600 0 40 BFAB CC(=O)N1CCC[C@@H]1c1cccnc1OC(C)C 72211953 DUPGGCFPGICMFT-CYBMUJFWSA-N 248.326 2.552 0 40 BFAB O=C(CCNc1ccccc1)Nc1nccs1 75120470 FIXOETWXOQPFQI-UHFFFAOYSA-N 247.323 2.584 0 40 BFAB Fc1cc(Cl)cnc1NC1CCC1 86710652 MTPSJYPLHWSNKP-UHFFFAOYSA-N 200.644 2.839 0 40 BFAB Cc1ccc(C)c2nc(Cl)c(CN)cc12 89261979 IIMDXQGVAGMHKW-UHFFFAOYSA-N 220.703 2.964 0 40 BFAB Clc1nnc(NCc2ccccc2)s1 95464186 UZOSPKDAKAJRQN-UHFFFAOYSA-N 225.704 2.804 0 40 BFAB c1cnc(N[C@H]2CCOC3(CCCCC3)C2)cn1 95970859 SDJDMBHDEXNYNC-LBPRGKRZSA-N 247.342 2.770 0 40 BFAB CSCC[C@@H](C)N(C)c1cc(C)nc(C)n1 95972060 WGHZQPLHPXWLSX-SNVBAGLBSA-N 239.388 2.671 0 40 BFAB CCS(=O)(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 96510151 OOJNVQMEZFFVKW-MNOVXSKESA-N 244.743 2.631 0 40 BFAB Oc1ccc2c(c1)CCc1cc(O)ccc1-2 114584852 QYFMFFVACPTERQ-UHFFFAOYSA-N 212.248 2.863 0 40 BFAB C[C@@H]1CCCC[C@H]1CNC[C@@H](O)c1ccncc1 195559910 UYVVXTRABFLPBP-VHDGCEQUSA-N 248.370 2.531 0 40 BFAB CC(C)[C@@H]1C[C@@H](C(=O)O)c2ccccc2N1 217548455 CYALGXBDAAHLKY-PWSUYJOCSA-N 219.284 2.695 0 40 BFAB Cc1ccc(N[C@@H]2CCC[C@@H]2N)cc1Cl 218878384 ORUBVAOPQFCNBT-NWDGAFQWSA-N 224.735 2.940 0 40 BFAB CC1(C)CCC[C@]2(C)[C@H](CO)C(CO)=CC[C@H]12 248015794 KUTDAKOPPDXZDV-UMVBOHGHSA-N 238.371 2.750 0 40 BFAB biogenic,in-vitro Cc1cc(Nc2cccc([C@@H]3CCCN3)n2)no1 257226493 FKVJLGAOTCZICV-JTQLQIEISA-N 244.298 2.546 0 40 BFAB Nc1cc(F)c2c(c1)C(=O)c1cc(F)ccc1-2 398690 QIMSHXKTXIKWOF-UHFFFAOYSA-N 231.201 2.758 0 40 BFAB CCN(CC)C[C@@H](O)c1cccc2cccnc12 1718255 LSHFGLXVRGFKQN-CQSZACIVSA-N 244.338 2.610 0 40 BFAB C[C@@H](NC(=O)c1ccccc1)c1ccc[nH]1 1747090 FAEQETDDYMFNBK-SNVBAGLBSA-N 214.268 2.506 0 40 BFAB CC(=O)c1ccc(N2C[C@@H]2c2ccncc2)cc1 4013628 NPKWZPWCVIAXLF-LDCVWXEPSA-N 238.290 2.846 0 40 BFAB Clc1ccc(-c2cc(-c3nnco3)[nH]n2)cc1 4625976 NKPVARCLSOCDMZ-UHFFFAOYSA-N 246.657 2.780 0 40 BFAB CSc1ncc(SC)c(=S)[nH]1 6259806 IGINNURVXLMCBZ-UHFFFAOYSA-N 204.345 2.583 0 40 BFAB O=C(O)/C=C\C=C\c1ccc(Cl)cc1 6975050 XFRGOISOCUABHY-TZFCGSKZSA-N 208.644 2.994 0 40 BFAB CC(=O)NCc1ccc(-c2csc(C)n2)cc1 8316197 QUHYNCORFSBMDL-UHFFFAOYSA-N 246.335 2.755 0 40 BFAB CCCNC(=O)[C@H](C)Oc1cc(C)cc(C)c1 8493244 MIQQWQKFIINOIS-LBPRGKRZSA-N 235.327 2.597 0 40 BFAB CCC(=O)N[C@@H](c1ccccc1)c1ccccn1 12527713 KEPLKIXOSIWNLT-HNNXBMFYSA-N 240.306 2.697 0 40 BFAB COC(=O)/C=C(\C)Nc1ccc(Cl)cc1 20153988 QTVDROJFMFMINA-BQYQJAHWSA-N 225.675 2.829 0 40 BFAB Nc1ccc(Cl)c(C(=O)Nc2ccccn2)c1 20194271 KFUGTBDDJQKXBJ-UHFFFAOYSA-N 247.685 2.570 0 40 BFAB CCOc1ccccc1[C@@H]1C[C@H]1[C@@H](C)O 20392357 CBFYMQPYNYGCPF-USWWRNFRSA-N 206.285 2.570 0 40 BFAB CC(C)CNc1ccc(Br)cn1 21815562 NQBZRNWPFRFKMT-UHFFFAOYSA-N 229.121 2.912 0 40 BFAB in-vitro Cc1ccc(Cc2ccc(C=O)o2)cc1 22113277 HDVAROZREVFCDR-UHFFFAOYSA-N 200.237 2.991 0 40 BFAB COC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1 22204247 QRSGTDBJDBYJHW-ZJUUUORDSA-N 210.660 2.617 0 40 BFAB CN(CCc1ccccc1)Cc1ccccc1N 35064068 XLNQDRJSCRKYKB-UHFFFAOYSA-N 240.350 2.943 0 40 BFAB CCCCC(=O)c1ccc2c(c1)OCO2 36157871 VSLRIRGQCOPULE-UHFFFAOYSA-N 206.241 2.788 0 40 BFAB in-vitro CCC[C@@H](C)N1Cc2ccc(N)cc2C1 36988154 LWEMKKALZMPTTA-SNVBAGLBSA-N 204.317 2.773 0 40 BFAB in-vitro O=C(NCc1cccc(F)c1)c1ccc(F)cc1 37493071 VPSWXZPCVRNTOA-UHFFFAOYSA-N 247.244 2.895 0 40 BFAB C[C@H](Nc1ccn(C)n1)c1ccc(F)cc1F 37560519 YCSCVQGXDYQABR-QMMMGPOBSA-N 237.253 2.871 0 40 BFAB Cc1ccc(C(=O)N2CCCC[C@H]2C)o1 40488469 CECWPQWFFISUPB-SECBINFHSA-N 207.273 2.603 0 40 BFAB Cc1nc(CN2CCC[C@@H]2c2ccccc2)no1 45914567 VBTUDTSCQFLMLO-CYBMUJFWSA-N 243.310 2.715 0 40 BFAB CCCC(=O)N[C@H](C)CCc1ccco1 47741120 JXBGCDGKJMLMDV-SNVBAGLBSA-N 209.289 2.517 0 40 BFAB COc1ccc(C(=O)N[C@@H](C)C(C)C)cc1F 52834829 JMMOWGZMWWDNOL-VIFPVBQESA-N 239.290 2.609 0 40 BFAB CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccn(C)n2)C1(C)C 58424047 AQTPEKSWUJLIOI-PWSUYJOCSA-N 247.342 2.597 0 40 BFAB Cc1cc(C(=O)Cc2ccncn2)ccc1Cl 72233461 HPMYXDANSXYJKK-UHFFFAOYSA-N 246.697 2.864 0 40 BFAB Clc1ccccc1CN1CC(c2cc[nH]n2)C1 72383188 LHLZTMCGMJYFRK-UHFFFAOYSA-N 247.729 2.663 0 40 BFAB COC(=O)[C@@H](c1ccccc1O)C1CCCC1 72482068 FAGDYKOFDODHHZ-CYBMUJFWSA-N 234.295 2.839 0 40 BFAB COc1ccc(C2(C(=O)O)CCCC2)c(F)c1 75073554 ROEWNJJDBHHPIN-UHFFFAOYSA-N 238.258 2.731 0 40 BFAB O=C1Nc2cccc(Br)c2CO1 84325001 XZVJGIWTWBRGBL-UHFFFAOYSA-N 228.045 2.511 0 40 BFAB CCCOc1ccc(Br)c(N)c1 85389603 OQXIYAJIFBTKEO-UHFFFAOYSA-N 230.105 2.820 0 40 BFAB c1cc(-c2nc(CN3CCCCC3)no2)cs1 89885466 QSMMDMXBAPIGQU-UHFFFAOYSA-N 249.339 2.784 0 40 BFAB CC(C)(C)OC(=O)N1CC[C@H](c2cccnc2)C1 95830085 NFUOQWYRDVFCHS-LBPRGKRZSA-N 248.326 2.806 0 40 BFAB Cc1noc(NCc2ccc(Cl)c(F)c2)n1 96494468 MVCHEKKYRBGEIH-UHFFFAOYSA-N 241.653 2.783 0 40 BFAB Cc1cc(C)c(C=O)c(OC[C@@H]2CCCO2)c1 96526223 KIVMSIUNIFLQLZ-LBPRGKRZSA-N 234.295 2.674 0 40 BFAB O=C(O)Cc1cc(Cl)c(F)c(Cl)c1 97437886 BAMDDVIXUNBUPH-UHFFFAOYSA-N 223.030 2.760 0 40 BFAB Cc1cc(CO)c2cccc(Cl)c2n1 98117122 MRGOCLQVOBRLNW-UHFFFAOYSA-N 207.660 2.689 0 40 BFAB COC(=O)c1cc(Cl)cc(F)c1Cl 165052604 DZWVFPHEKTTWTL-UHFFFAOYSA-N 223.030 2.919 0 40 BFAB CC[C@@H](C)Nc1ccc(C(=O)NC(C)C)cc1N 225407754 ICFRFSQSBUCCPJ-SNVBAGLBSA-N 249.358 2.617 0 40 BFAB C[C@H](c1ccccc1)c1nc([C@@H]2CCOC2)no1 252492334 MJDFWWJHCZLUGT-ZYHUDNBSSA-N 244.294 2.725 0 40 BFAB CCCCCNc1c(C)cnn1CCF 256053125 QCXRALAUXUIRGU-UHFFFAOYSA-N 213.300 2.763 0 40 BFAB Cc1cc(NCc2cccn2C)nn1CC(C)C 256053485 RPTFXHXTSJOMSH-UHFFFAOYSA-N 246.358 2.798 0 40 BFAB CC(C)Oc1cc(F)c(C=O)cc1F 725240037 VLSGYUVERWPKBR-UHFFFAOYSA-N 200.184 2.565 0 40 BFAB O=C(Nc1ccccc1)c1cc(C2CC2)ncn1 1888856865 OGWVBUGSMNOKIS-UHFFFAOYSA-N 239.278 2.606 0 40 BFAB CCCCCC[C@H]1C(=O)CC[C@@H]1C(=O)OC 2565613 IPWBXORAIBJDDQ-MNOVXSKESA-N 226.316 2.725 0 40 BFAB O=C(O)CCOc1ccc(Cl)cc1Cl 6091956 XHUAIKXCACQSGV-UHFFFAOYSA-N 235.066 2.847 0 40 BFAB O[C@@H](C1CCCCC1)[C@H](O)C1CCCCC1 16137787 CKHLARJSOMXDKL-OKILXGFUSA-N 226.360 2.869 0 40 BFAB COc1cccc(/C=C\c2ccnnc2)c1 17106436 FFTNURXVZUNOSM-WAYWQWQTSA-N 212.252 2.656 0 40 BFAB Cc1ccc(-c2ncc(C(=O)O)s2)cc1 19948414 RBQJEOSGUROZPI-UHFFFAOYSA-N 219.265 2.817 0 40 BFAB CCn1cc(NCc2ccc(F)cc2)cn1 20350413 CEZOATKQYUWMPC-UHFFFAOYSA-N 219.263 2.654 0 40 BFAB CCCNC(=O)[C@H](CC)Oc1ccc(C)c(C)c1 20450906 AOSUYYYBWHNGIB-AWEZNQCLSA-N 249.354 2.987 0 40 BFAB NCc1nc(-c2ccc(Cl)cc2Cl)no1 22119754 HOZBPQPWWKIFIJ-UHFFFAOYSA-N 244.081 2.502 0 40 BFAB C[C@@H]1C[C@H]1C(=O)Nc1cnc2ccccc2c1 25714008 VGJRYMJZMWCPAD-BXKDBHETSA-N 226.279 2.829 0 40 BFAB CCn1cc(C(=O)Nc2cc(F)ccc2C)cn1 28225357 IVQRHKLVQCFBAV-UHFFFAOYSA-N 247.273 2.603 0 40 BFAB COc1ccccc1-c1nc(N)sc1C 32013642 GJKWAARJYXTOCL-UHFFFAOYSA-N 220.297 2.709 0 40 BFAB Cc1cc(Nc2ccc3c(c2)CCO3)nc(C)n1 32779315 SVKVHDGOBXQYOB-UHFFFAOYSA-N 241.294 2.772 0 40 BFAB CCCOc1cc(Cl)cc(N)c1NC 33358725 NYWXKBOXZIVUHV-UHFFFAOYSA-N 214.696 2.753 0 40 BFAB COc1ccccc1C(=O)c1ccsc1 34122965 CZAKRXIKWPTTPI-UHFFFAOYSA-N 218.277 2.988 0 40 BFAB C[C@@H]1Cc2cc(Br)ccc2C1=O 34384576 GMWXCOYOQNIWPE-ZCFIWIBFSA-N 225.085 2.824 0 40 BFAB in-vitro Cc1n[nH]cc1CNC[C@H](C)c1ccccc1 35273995 RMLFKIMQKPAOGB-NSHDSACASA-N 229.327 2.611 0 40 BFAB O[C@H](COc1ccc(F)cc1)c1ccccc1 37492213 LFOQQKXJGOTEGC-CQSZACIVSA-N 232.254 2.938 0 40 BFAB CCCN(C)CCc1c[nH]c2cccc(O)c12 37627624 XFQDDPQGBLSNCN-UHFFFAOYSA-N 232.327 2.758 0 40 BFAB CC/C=C(\C)C(=O)N1CCc2ccccc2C1 46041401 KVLLNRVPSKCVBP-WUXMJOGZSA-N 229.323 2.928 0 40 BFAB CCCCCNC(=O)Cc1ccccc1F 46464282 DNCSVNGPGXENHJ-UHFFFAOYSA-N 223.291 2.675 0 40 BFAB COCCCN(C)[C@@H](C)c1ccccc1OC 47886313 WNGOVLUBOPIUMZ-LBPRGKRZSA-N 237.343 2.725 0 40 BFAB CNC(=O)N(Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 47969584 CJVZIXUSVMOZNF-BXKDBHETSA-N 248.326 2.707 0 40 BFAB Fc1cccc2c1CC[C@@H]2Nc1ncccn1 49322121 JFOIDCIHDQCEDO-LBPRGKRZSA-N 229.258 2.715 0 40 BFAB CCn1cc(C(F)(F)F)cc(Cl)c1=O 57960563 MJDKFVPKLAQDNS-UHFFFAOYSA-N 225.597 2.540 0 40 BFAB Cc1ccc(F)cc1[C@@H](O)C(F)(F)F 61893765 LWHAEKRZDHGPRO-MRVPVSSYSA-N 208.154 2.730 0 40 BFAB COc1cccc2c(C)cc(-c3cc[nH]n3)nc12 67886523 ZFXRZFGOGYWLAX-UHFFFAOYSA-N 239.278 2.942 0 40 BFAB CC[C@H](C)C(=O)N[C@@H](C)Cc1cccs1 69413858 HVRGWWISBYQUMV-UWVGGRQHSA-N 225.357 2.841 0 40 BFAB Cc1cnn([C@@H](C)[C@@H](C)NCc2ccc(C)o2)c1 69458460 HODTVNSSNNEETQ-OLZOCXBDSA-N 247.342 2.832 0 40 BFAB CC[C@](C)(O)CNCc1ccc(Cl)cc1 69739413 XLRKHYNVIQNFCN-LBPRGKRZSA-N 227.735 2.591 0 40 BFAB N=[S@](=O)(c1ccc(F)cc1)C(F)(F)F 71261597 ZHIJDUORJHKUMW-AWEZNQCLSA-N 227.182 2.751 0 40 BFAB CCNC(=O)NCCCCC(C)(C)C 71803868 GXINLGJPODVTCV-UHFFFAOYSA-N 200.326 2.522 0 40 BFAB CCOC(=O)C[C@@H](NC)c1ccccc1Cl 72210273 UQWVEKCCDHWNFL-LLVKDONJSA-N 241.718 2.554 0 40 BFAB CC(=O)N1CCC[C@@H]1c1ccc2[nH]ccc2c1 72221725 WMGNHIHLQUDESZ-CQSZACIVSA-N 228.295 2.851 0 40 BFAB Cc1cc([C@@H](C)N)cnc1OCc1ccccc1 72222389 YNJDILVMHBDQLQ-GFCCVEGCSA-N 242.322 2.989 0 40 BFAB CNCc1ccc(OCc2ccccc2)nc1C 72224477 NCMJPFWZTPTMDL-UHFFFAOYSA-N 242.322 2.688 0 40 BFAB C/C=C/COC(=O)c1ccc2c(c1)OCCCO2 84136271 KKVJWRONTKTGSX-NSCUHMNNSA-N 248.278 2.581 0 40 BFAB CC[C@@H](C(=O)Nc1cccc(Cl)c1)N(C)C 84718769 RSJVBMNRAOVYCJ-NSHDSACASA-N 240.734 2.619 0 40 BFAB CCCOc1cc(C(C)=O)ccc1OC 95732424 AANLRUWGNHVMQA-UHFFFAOYSA-N 208.257 2.687 0 40 BFAB O=C(O)c1[nH]nc2cc(-c3ccccc3)ccc12 96321123 RYKOGXPRTYUXBE-UHFFFAOYSA-N 238.246 2.928 0 40 BFAB c1ccc(CSC[C@H]2CCCOC2)nc1 96494703 GEOWLINXMWGXBK-NSHDSACASA-N 223.341 2.741 0 40 BFAB COC(=O)c1sc(Cl)cc1OC(C)C 96510896 PZOADGHXQDQSEX-UHFFFAOYSA-N 234.704 2.975 0 40 BFAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC1=NCCC1)C2 101961177 YUSRZOLPOUXZON-WDMOLILDSA-N 220.360 2.983 0 40 BFAB Cc1cc(NC(=O)CCC(F)(F)F)sn1 176419925 XCZXUJBTGJDFRJ-UHFFFAOYSA-N 238.234 2.733 0 40 BFAB CN1CC[C@@H]2Nc3cc(Cl)ccc3[C@@H]2C1 215996707 PMOAREPQUPCMKP-QWRGUYRKSA-N 222.719 2.553 0 40 BFAB Cc1cc(C)c2c(NCCCN)cc(C)nc2c1 222685630 KABONNTXMIUBGI-UHFFFAOYSA-N 243.354 2.921 0 40 BFAB CO[C@@H](Cc1cc(Cl)cc(Cl)c1)C(=O)O 225092273 GVUXIKPDLNXTGK-VIFPVBQESA-N 249.093 2.636 0 40 BFAB CC[C@H](C)Nc1ccc(N)cc1C(=O)NC(C)C 225454205 ZQROHOHDDMEERA-JTQLQIEISA-N 249.358 2.617 0 40 BFAB C1CC[C@H](CN2CC[C@H]3CCCC[C@H]3C2)NC1 252470047 SMFJJXNFNWYQPN-QLFBSQMISA-N 236.403 2.641 0 40 BFAB CCCCOCc1ccn(CC(F)(F)F)n1 408715219 GPXMEDSHORBCQH-UHFFFAOYSA-N 236.237 2.762 0 40 BFAB COc1ccc(CCCC(=O)NC2CC2)cc1C 408916149 VFIQJLVQRQMCCW-UHFFFAOYSA-N 247.338 2.605 0 40 BFAB Sc1nc2cnc3ccccc3c2o1 953124656 RGDINSUSDKZINJ-UHFFFAOYSA-N 202.238 2.665 0 40 BFAB COc1cc(C)nc(C2=N[C@H](C(C)(C)C)CO2)c1 1942112088 FSFRJLGDNMOSDK-LBPRGKRZSA-N 248.326 2.590 0 40 BFAB CC[C@H](Oc1ccccc1)C(=O)NC(C)(C)C 580025 VMIYWUBLTPXGOH-LBPRGKRZSA-N 235.327 2.759 0 40 BFAB CN(C)c1ccccc1[C@H]1CCCC[C@@H]1O 1715793 KGLBGZFYIVMFEG-OCCSQVGLSA-N 219.328 2.771 0 40 BFAB Cc1ccc(NC(=O)n2cc(Cl)cn2)cc1 2740227 PYMZSEQRTZSWGE-UHFFFAOYSA-N 235.674 2.925 0 40 BFAB CSc1nc2c(sc3ccccc32)c(=O)[nH]1 6411819 SAEVHGCXEUKUKK-UHFFFAOYSA-N 248.332 2.860 0 40 BFAB CCCCCNC(=O)Nc1ccccc1 6778167 RMXZKIFWPBHAPR-UHFFFAOYSA-N 206.289 2.998 0 40 BFAB CC(=O)c1c[nH]c(C(=O)OCC2CCCCC2)c1 8258922 KASAMRROJCICBY-UHFFFAOYSA-N 249.310 2.954 0 40 BFAB O[C@H]1/C(=C/c2ccc(Cl)cc2)N2CCC1CC2 8873624 WRHOCFANFXIPAE-RNQWEJQRSA-N 249.741 2.767 0 40 BFAB CCCn1c(CC)nc2cc(C(=O)O)ccc21 9238067 MOIGBMLOXLTZQT-UHFFFAOYSA-N 232.283 2.707 0 40 BFAB N[C@H](Cc1ccccc1)c1cccs1 11601921 DYPYBFJCSBLTFS-LLVKDONJSA-N 203.310 2.991 0 40 BFAB in-vitro Clc1nncc2c1[nH]c1ccccc12 11920113 KIMLHHTWRRCTNQ-UHFFFAOYSA-N 203.632 2.765 0 40 BFAB CCCCn1c(S)nc2cccnc21 13535482 REFBVGITNPNHIS-UHFFFAOYSA-N 207.302 2.520 0 40 BFAB CCOCCCN[C@H](C)c1ccc(C)o1 19962950 NOVPOWIQNYVWLE-LLVKDONJSA-N 211.305 2.665 0 40 BFAB Nc1ccc(C2CCC3(CC2)OCCO3)cc1 21984918 HMMBPNACQGSCSB-UHFFFAOYSA-N 233.311 2.670 0 40 BFAB c1ccc(CN[C@@H]2CCc3ccccc3C2)nc1 23282820 ZPCOBTNQGHVASG-OAHLLOKOSA-N 238.334 2.729 0 40 BFAB CC(C)CC(=O)N1CCO[C@@H](c2ccccc2)C1 32908858 VNYOJEFOEJUVEF-CQSZACIVSA-N 247.338 2.633 0 40 BFAB C=CC(=O)N(C)Cc1ccc(C(F)(F)F)cc1 36334411 BGBKLCHIGCMKCG-UHFFFAOYSA-N 243.228 2.850 0 40 BFAB c1coc(-c2nnc3sc(C4CCC4)nn23)c1 36357748 LPTOWLYFIRYXKR-UHFFFAOYSA-N 246.295 2.713 0 40 BFAB CC(C)(C)NCc1nc(-c2ccc(F)cc2)no1 36394053 DCEYTYMDVFZGKW-UHFFFAOYSA-N 249.289 2.764 0 40 BFAB O=C(Cc1ccc(Cl)cc1)C(F)F 38125336 WYRSPEJMMAHQRK-UHFFFAOYSA-N 204.603 2.717 0 40 BFAB CNC(=O)[C@H](C)Sc1ccc(C)cc1C 40464741 WFZXQARQBQCHKZ-JTQLQIEISA-N 223.341 2.530 0 40 BFAB C[C@@H](SC(F)(F)F)C(=O)N1CCCCC1 40513818 DYELGXBEEXNYKQ-SSDOTTSWSA-N 241.278 2.640 0 40 BFAB Fc1ccccc1COCC[C@H]1CCCNC1 42771790 IRLOAOAPDHCAMC-GFCCVEGCSA-N 237.318 2.732 0 40 BFAB Cc1cc(O[C@H]2CCNC2)ccc1C(C)C 42782899 JUPNYYYDGKGSFL-ZDUSSCGKSA-N 219.328 2.859 0 40 BFAB in-vitro O=C(Nc1ccc2ccccc2n1)C1CCC1 45579065 VROGTKWFCJNBCT-UHFFFAOYSA-N 226.279 2.973 0 40 BFAB CC(=O)Nc1ccccc1OC1CCCC1 46665338 XDSUGCMSAPVQGR-UHFFFAOYSA-N 219.284 2.966 0 40 BFAB CC(C)=CC(=O)NC[C@H](C)N(C)c1ccccc1 46951355 DUTCOXULIWQIDK-ZDUSSCGKSA-N 246.354 2.594 0 40 BFAB Cn1cccc1CN[C@@H]1CCOc2ccccc21 49537342 KCCWFUKHLNLXAM-CQSZACIVSA-N 242.322 2.639 0 40 BFAB CCC[C@@H](O)Cc1ccc(F)cc1F 50885792 LHGPYKNRECKARO-SNVBAGLBSA-N 200.228 2.668 0 40 BFAB Cc1cc(NCc2ccco2)nc(Cl)n1 52814224 QCRJZDSLDYLRID-UHFFFAOYSA-N 223.663 2.644 0 40 BFAB Cc1ccccc1[C@H](C)NC(=O)NC1CC1 57561362 QSWYSCIOYMCOIP-JTQLQIEISA-N 218.300 2.518 0 40 BFAB COCCSc1ccnc2ccccc12 68053805 HURSLIVSLPSUTE-UHFFFAOYSA-N 219.309 2.973 0 40 BFAB Fc1ccc(-c2c[nH]nc2[C@@H]2CCCN2)cc1 72187636 YMBAMYRSJRDEFE-LBPRGKRZSA-N 231.274 2.640 0 40 BFAB Nc1ccc(COc2ccccc2)c(C(=O)O)c1 72209181 SWVLZBXZXXHYBZ-UHFFFAOYSA-N 243.262 2.546 0 40 BFAB COc1cc2c(cc1OC)[C@@H](C)NC[C@H](C)C2 84228319 JJNWWBVSBLQJNC-NXEZZACHSA-N 235.327 2.547 0 40 BFAB in-vitro C[C@H](O)C1(c2ccc(Cl)c(F)c2)CC1 84395535 RFLBEKUXNPFVGO-ZETCQYMHSA-N 214.667 2.892 0 40 BFAB CC1(C)[C@H](O)[C@@]2(Br)CC[C@]1(C)C2 85398884 NDKVCUVWTLQJQW-FXBDTBDDSA-N 233.149 2.711 0 40 BFAB O=C(O)c1cc(C(F)(F)F)cc2[nH]ccc12 89204500 LOZDLFMJUPKPDY-UHFFFAOYSA-N 229.157 2.885 0 40 BFAB CNC(=O)[C@@H](c1cccc(Cl)c1)C(C)C 89801749 RTFCYBHQWWAZNG-LLVKDONJSA-N 225.719 2.826 0 40 BFAB CCC[C@H](N)CN1CC=C(c2ccccc2)CC1 96523971 ZGDXHEKYFKBIJK-INIZCTEOSA-N 244.382 2.903 0 40 BFAB c1ccc2cc(C[C@@H]3CCCNC3)ncc2c1 102634508 YTFQYMDIMDBTBJ-LBPRGKRZSA-N 226.323 2.777 0 40 BFAB CC(C)Cn1nccc1N[C@H]1CCCSC1 134824482 UHOIPULLMVWJQU-NSHDSACASA-N 239.388 2.847 0 40 BFAB NNc1c(Cl)cc(F)cc1Br 199539576 YNGJMPUORDJLMG-UHFFFAOYSA-N 239.475 2.527 0 40 BFAB Cc1cc(C)cc(Oc2cnccn2)c1 199807585 MQZJICZWFXSTFB-UHFFFAOYSA-N 200.241 2.886 0 40 BFAB CCCCOC1=CC(=O)N(c2ccccc2)C1 217441451 TWDWXXKQTHOSFD-UHFFFAOYSA-N 231.295 2.734 0 40 BFAB Cc1cccc(N[C@@H]2CCCC[C@@H]2N)c1 218857599 GYPOFMYXBZBROQ-QWHCGFSZSA-N 204.317 2.677 0 40 BFAB CC1(c2ccn[nH]2)CCN(Cc2ccco2)CC1 257238301 HKJHHBVAEUEIDX-UHFFFAOYSA-N 245.326 2.556 0 40 BFAB CCCN(c1ccc(C)cc1C)[C@H](C)C(=O)O 260677450 FOKPDBBZRUOGCC-GFCCVEGCSA-N 235.327 2.993 0 40 BFAB Oc1cnc2c(OC(F)(F)F)cccc2c1 309402830 UAGJHIHIZSGXAM-UHFFFAOYSA-N 229.157 2.839 0 40 BFAB O=C(O)C=Cc1cccc(C(F)(F)F)c1 1857775698 KSBWHDDGWSYETA-UHFFFAOYSA-N 216.158 2.803 0 40 BFAB O=C(NCc1ccccc1)c1ccccc1F 41263 UGXWQXTTYOYCCP-UHFFFAOYSA-N 229.254 2.756 0 40 BFAB O=C1CCCC(O[C@H]2CCCCO2)CCC1 162306 XVKFFUIPGLOBTI-ZDUSSCGKSA-N 226.316 2.822 0 40 BFAB C[C@H]1CCCN(C(=O)c2ccccc2F)C1 1460929 BNRUHXFLAYZLRK-JTQLQIEISA-N 221.275 2.698 0 40 BFAB CCn1cc(CNCc2ccccc2)c(C)n1 2536069 CVTJJOWBKPYZSV-UHFFFAOYSA-N 229.327 2.501 0 40 BFAB Cc1ccc(C(=O)NCc2ccccc2)s1 5557794 IRGVOFLFCYQJQY-UHFFFAOYSA-N 231.320 2.987 0 40 BFAB CCN(CCO)C[C@H]1CCC[C@H]2CCCC[C@H]12 5766909 OMNYFBVXUCYWNL-KFWWJZLASA-N 239.403 2.907 0 40 BFAB in-vitro Clc1ccc(Oc2ncnc3[nH]cnc23)cc1 8580889 YPFPZGLFVXSMDD-UHFFFAOYSA-N 246.657 2.799 0 40 BFAB Cc1cc(C(C)C)ccc1O[C@@H](C)C(=O)O 8730573 AEFRYKDGOMHHSB-JTQLQIEISA-N 222.284 2.970 0 40 BFAB CC(C)C(=O)Nc1cc(Cl)ccc1O 11638369 WWFFSAFZBIHKDQ-UHFFFAOYSA-N 213.664 2.640 0 40 BFAB NCCCN1CCC[C@H]1c1ccc(Cl)cc1 12398994 QGPYZCNSGHUMTF-ZDUSSCGKSA-N 238.762 2.826 0 40 BFAB O=C(c1csc(-c2ccco2)n1)N1CCCC1 12949136 YSIOMQAKHSXHTD-UHFFFAOYSA-N 248.307 2.639 0 40 BFAB CNCCC1CCN(Cc2cccc(C)c2)CC1 15424010 OQDIHZAEAARIBV-UHFFFAOYSA-N 246.398 2.817 0 40 BFAB CCCC[C@H](CC)C(=O)N1C[C@H](C)O[C@H](C)C1 17820227 MVHPIEABOOAVTC-XQQFMLRXSA-N 241.375 2.839 0 40 BFAB CC(=O)Nc1ccc(CNc2cccnc2)cc1 19884185 ZNSGTPZIZDUQQT-UHFFFAOYSA-N 241.294 2.652 0 40 BFAB Cc1c(N)cccc1C(=O)Nc1ccccc1F 20194529 GDMPMPILDFKWLI-UHFFFAOYSA-N 244.269 2.969 0 40 BFAB Cc1cc(C)cc(CSCC(=O)NC2CC2)c1 20237948 KWGGANARVPUYJA-UHFFFAOYSA-N 249.379 2.815 0 40 BFAB Cc1ccc([C@H]2NCCn3cccc32)s1 26422980 FGRABGSVCLAEBF-LBPRGKRZSA-N 218.325 2.551 0 40 BFAB C[C@H]1CCCN(Cc2ccc(C(=O)O)s2)C1 36644457 WKWQQYZEOKAZRA-VIFPVBQESA-N 239.340 2.678 0 40 BFAB O=C(c1cccnc1)c1c(F)cc(F)cc1F 36942199 FNJYFDVUFQZUQW-UHFFFAOYSA-N 237.180 2.730 0 40 BFAB in-vitro N[C@H]1C[C@@H]1c1cccc(Cl)c1Cl 37381221 QFCFGKISIRTOOJ-SVRRBLITSA-N 202.084 2.808 0 40 BFAB Cc1ccsc1C(=O)NCCCOC(C)C 40161077 KJQOBXCGTIVHRK-UHFFFAOYSA-N 241.356 2.601 0 40 BFAB COc1cc(-c2ccco2)cc(OC)c1OC 41125364 AVVLKEDPCPDGFT-UHFFFAOYSA-N 234.251 2.972 0 40 BFAB OCCCc1ccccc1C(F)(F)F 58003580 MNJCAHDWFQQMFI-UHFFFAOYSA-N 204.191 2.630 0 40 BFAB in-vitro C[C@H]1Cc2ccccc2N1C(=O)c1cccn1C 69128194 OEBBPLOXVQKKQB-NSHDSACASA-N 240.306 2.617 0 40 BFAB C[C@H](O[C@H]1CCCNC1)c1ccccc1 70265936 RSDFTWILXXYBMB-AAEUAGOBSA-N 205.301 2.516 0 40 BFAB CCCN1CCC[C@H]1c1cccnc1C 72211293 CYSRRVDEYHKIEM-ZDUSSCGKSA-N 204.317 2.937 0 40 BFAB CSc1ncccc1[C@H]1CCCCN1C 72216955 CJJCAIOEGGXLSO-LLVKDONJSA-N 222.357 2.960 0 40 BFAB Nc1ccc(-c2nc3ccncc3s2)cc1 75877846 CAMFQQHIFSEBCP-UHFFFAOYSA-N 227.292 2.941 0 40 BFAB Cc1cccc(-c2ncc(C(=O)O)c(Cl)n2)c1 84097254 JXABYFFYKNCKEZ-UHFFFAOYSA-N 248.669 2.804 0 40 BFAB CCO[C@H](C)c1noc([C@H]2CC=CCC2)n1 89984965 QAWWRYOGDJCVOJ-ZJUUUORDSA-N 222.288 2.991 0 40 BFAB CCn1c2ccccc2c2cc(CNN)ccc21 90613306 YVCUCKHGEDBSKS-UHFFFAOYSA-N 239.322 2.778 0 40 BFAB C[C@@H](Sc1ncc[nH]1)c1nc(C2CC2)no1 96430216 HFXGGJYMRUZLBK-ZCFIWIBFSA-N 236.300 2.523 0 40 BFAB CC(=O)CC(=O)c1cccc(Br)c1 101819170 ZZPGUHYGTBCVTO-UHFFFAOYSA-N 241.084 2.611 0 40 BFAB CC(=O)N1CCS[C@H](c2cccs2)CC1 219470619 JEXITJIYJDLKGV-NSHDSACASA-N 241.381 2.775 0 40 BFAB Clc1cc(Br)c2cncn2c1 238532295 JFWRJLCFDZTUAS-UHFFFAOYSA-N 231.480 2.750 0 40 BFAB Nc1cncc2c(Br)csc12 238607388 BNVKCBJUQONLFZ-UHFFFAOYSA-N 229.102 2.641 0 40 BFAB CN1CC[C@@H]2Nc3cc(Cl)ccc3[C@H]2C1 250622554 PMOAREPQUPCMKP-MNOVXSKESA-N 222.719 2.553 0 40 BFAB CCOC(=O)c1ccc(C(=O)C2CC2)s1 261190400 NWKUBECGQWEKDS-UHFFFAOYSA-N 224.281 2.518 0 40 BFAB CC[C@@H](C)C(=O)c1ccc(N2CCOCC2)cc1 575358696 OMBCFLJRCFZOMT-GFCCVEGCSA-N 247.338 2.752 0 40 BFAB Fc1ccc(-c2nnc(-c3ccncc3)o2)cc1 347998 LHDHILZFBURKMM-UHFFFAOYSA-N 241.225 2.938 0 40 BFAB Cc1ccnc(NC(=O)Cc2ccccc2F)c1 363380 KYJSIWYOTQCOIW-UHFFFAOYSA-N 244.269 2.710 0 40 BFAB Oc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1 505373 APTBOXAVAXZPKG-UHFFFAOYSA-N 237.262 2.844 0 40 BFAB CC(C)(C)Sc1ccc(C(=O)O)cn1 1396774 MDGGHNDKNUBZDS-UHFFFAOYSA-N 211.286 2.670 0 40 BFAB NC(=O)[C@H](C1=CCCCC1)c1ccccc1 1577599 HOVYGLDECOUQHF-ZDUSSCGKSA-N 215.296 2.756 0 40 BFAB CCCCC(=O)Oc1ccccc1OC 2065802 JIPVGERXYWGOOY-UHFFFAOYSA-N 208.257 2.791 0 40 BFAB COc1ccc(-c2noc([C@@H]3CCCO3)n2)cc1 2328150 WKCUHFNOGKVDJP-NSHDSACASA-N 246.266 2.597 0 40 BFAB COc1cccc(-c2csc(C=O)n2)c1 2582754 NYMXOZKXPMPIJD-UHFFFAOYSA-N 219.265 2.631 0 40 BFAB C[C@H](OC[C@@H]1CO1)c1ccc(Cl)cc1 3389627 JGGQRANUJHVHLH-GZMMTYOYSA-N 212.676 2.816 0 40 BFAB in-vitro CC[C@@H](Oc1ccc(C)cc1)C(=O)N1CCCC1 8478478 GCKFYMSLBCGTSE-CQSZACIVSA-N 247.338 2.775 0 40 BFAB COc1cc2c(cc1OC)[C@H](CC(C)C)NCC2 11598977 SETZAJBDVLCYRS-ZDUSSCGKSA-N 249.354 2.937 0 40 BFAB O=C(NCCc1ccco1)Nc1ccccc1 13023040 GUDYDPUPMIRZSV-UHFFFAOYSA-N 230.267 2.644 0 40 BFAB C[C@@H]1CCC[C@@H](NC(=O)Cc2ccccc2N)C1 20155731 CHHGVEURRGZHLA-DGCLKSJQSA-N 246.354 2.506 0 40 BFAB COc1cc(C2(C(=O)O)CCC2)ccc1C 21953225 SHJPZELYOPLLSZ-UHFFFAOYSA-N 220.268 2.510 0 40 BFAB in-vitro CCN(CC)CCNC/C=C/c1ccccc1 22075263 VWSDPYOJAJSIIR-DHZHZOJOSA-N 232.371 2.631 0 40 BFAB Cc1cc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)ccc1N 22171537 PPIWNGPPLOBRNT-PHIMTYICSA-N 246.354 2.695 0 40 BFAB CCc1ccc(NC(=O)C2CCOCC2)cc1 24635929 RSDCMLNDYBQLPL-UHFFFAOYSA-N 233.311 2.614 0 40 BFAB CC(C)CN(Cc1ccc(C(N)=O)cc1)C(C)C 29724370 MMDXIQUIUUKLTP-UHFFFAOYSA-N 248.370 2.652 0 40 BFAB Cc1cc(N2CCc3ccccc32)nc(C)n1 32769728 VIHNZQRVQZTRNI-UHFFFAOYSA-N 225.295 2.788 0 40 BFAB O=C(Nc1ccccc1O)[C@@H]1CC=CCC1 32855793 OSTMTZXHRGKTJP-SNVBAGLBSA-N 217.268 2.687 0 40 BFAB CC(=O)N1CCC(C)(C)c2ccccc21 34284918 TXSFXZWERZRCQK-UHFFFAOYSA-N 203.285 2.721 0 40 BFAB Cc1ccc(C)c(-n2cccc2C(=O)O)c1 35431501 GJPKLFIQYSGDTP-UHFFFAOYSA-N 215.252 2.792 0 40 BFAB CCOCCN[C@@H](C)c1ccc(C)cc1 36229011 ZHPZANYIJZFLGN-LBPRGKRZSA-N 207.317 2.682 0 40 BFAB CCCN(CC)Cc1ccc(OC)c(OC)c1 40119935 ZRKTUIGWBPZWLR-UHFFFAOYSA-N 237.343 2.936 0 40 BFAB C[C@@H]1CCCC[C@H]1NC(=O)Nc1nccs1 42738134 NCQOCTSLTFRBEN-RKDXNWHRSA-N 239.344 2.843 0 40 BFAB CC[C@H](C)c1cc(Br)ncn1 44119079 ZAKMNCMGHRHFNF-LURJTMIESA-N 215.094 2.753 0 40 BFAB O=C(CC(F)(F)F)N(Cc1ccco1)C1CC1 44698684 PNNOULUYBVUNFP-UHFFFAOYSA-N 247.216 2.723 0 40 BFAB CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C 44891422 RAQSNOLYOIZYKO-UHFFFAOYSA-N 243.310 2.838 0 40 BFAB Cc1ccc(CN[C@H]2CCCC[C@H]2O)c(C)c1 51989810 RCKNVDMYRRKLSE-LSDHHAIUSA-N 233.355 2.697 0 40 BFAB CC[C@H](O)Cc1ccc(Br)cc1F 53784353 HARFQCZLOZHGFR-VIFPVBQESA-N 247.107 2.902 0 40 BFAB Cc1cc(Br)cc2c1OCCC2=O 63061381 DZPVCVOHHNOBJI-UHFFFAOYSA-N 241.084 2.723 0 40 BFAB CCN(C)c1ccc([C@@H](N)c2ccccc2)cn1 72225248 YPFDETXZMOUHHF-HNNXBMFYSA-N 241.338 2.586 0 40 BFAB CC(C)C(=O)c1ccc(O)c(C(F)(F)F)c1O 76914461 NYFNJYJWOHQAMU-UHFFFAOYSA-N 248.200 2.955 0 40 BFAB CS[C@@H]1CCC[C@@H]1Nc1nc(C)ns1 78447915 GCYBXOKIKZGWIF-JGVFFNPUSA-N 229.374 2.543 0 40 BFAB COc1ccc2nc(C=O)ccc2c1Cl 85399735 WHXOQQFZTRWKAO-UHFFFAOYSA-N 221.643 2.709 0 40 BFAB C[C@@H](O)CN[C@H]1CCCSc2ccccc21 95419031 YHHQBRNNEYJXTA-PWSUYJOCSA-N 237.368 2.584 0 40 BFAB O[C@H]1CCC[C@H]1n1ccc2ccccc21 96526873 DYBWYTIGJGHYAD-OLZOCXBDSA-N 201.269 2.727 0 40 BFAB Cc1nccc(NC(=O)N[C@H]2C[C@H]2C)c1Cl 97096188 JLSZEEULSNZDHA-MUWHJKNJSA-N 239.706 2.573 0 40 BFAB Cc1cc2c(cc1Br)NCC2 97442093 OOGKBGZFWQVEGL-UHFFFAOYSA-N 212.090 2.726 0 40 BFAB COC(=O)c1ccc(F)c(OC(F)(F)F)c1 98210743 HOVCTMDPKALOEL-UHFFFAOYSA-N 238.136 2.511 0 40 BFAB CCCCOC(=O)OCC(F)(F)C(F)F 169795762 RPRWMDKEWHTPIN-UHFFFAOYSA-N 232.173 2.840 0 40 BFAB Cc1cc(NC(=S)NC(C)C)ncc1Cl 223874040 BRYWCAIIEWRMIL-UHFFFAOYSA-N 243.763 2.738 0 40 BFAB CCC(=O)N[C@H](CC)c1ccc(OC)c(C)c1 225283859 ZTOUEJBSJBNORP-GFCCVEGCSA-N 235.327 2.981 0 40 BFAB O=Cc1ccc(-n2cc(C=O)c3ccccc32)o1 408551902 JNAXHFNCWWJHHT-UHFFFAOYSA-N 239.230 2.849 0 40 BFAB NC[C@@H](c1ccc(F)cc1Cl)C(F)F 1536095876 OTGIPPQEKDKYEH-ZETCQYMHSA-N 223.625 2.787 0 40 BFAB O=C(NC1CCCCC1)c1ccc(Cl)nc1 413104 UYFINTSPYHNTIK-UHFFFAOYSA-N 238.718 2.798 0 40 BFAB OCc1cn(-c2ccccc2)nc1-c1ccco1 446075 UWMKSOAHWGYKCD-UHFFFAOYSA-N 240.262 2.625 0 40 BFAB Oc1cccc(CNC2CCCCC2)c1 1683254 XNCKREKYUMQAIM-UHFFFAOYSA-N 205.301 2.815 0 40 BFAB C[C@@]12C[C@@H](c3ccccc3O1)N1CCSC1=N2 3592528 ZFZCTTNYVFIHIA-GWCFXTLKSA-N 246.335 2.645 0 40 BFAB Nc1ccc2c(oc3ccccc32)c1C(=O)O 3999666 XZJCQIYODNFOGO-UHFFFAOYSA-N 227.219 2.866 0 40 BFAB biogenic COc1ccc(Nc2n[nH]c(=S)s2)cc1 5324236 JMXNPVYGYAIQJD-UHFFFAOYSA-N 239.325 2.953 0 40 BFAB C[C@@H](NC(=O)c1ccccc1O)C(C)(C)C 6668517 IYBICXLRHUZDPV-SECBINFHSA-N 221.300 2.557 0 40 BFAB CNCCCNc1ccnc2cc(Cl)ccc12 6746756 DSQFFQFYQVGMPS-UHFFFAOYSA-N 249.745 2.910 0 40 BFAB CC1=CC2=NC(=N)c3ccccc3CN2C=C1 6759452 IRBLGOZEAHXTAR-UHFFFAOYSA-N 223.279 2.700 0 40 BFAB CC(C)c1ccc(-n2cc(C=O)cn2)cc1 14608612 WNMZTFXCGJBJIV-UHFFFAOYSA-N 214.268 2.808 0 40 BFAB in-vitro CNCc1c(OC)ccc2ccccc12 16189391 VLUHVTHRCUOYER-UHFFFAOYSA-N 201.269 2.568 0 40 BFAB COc1ccc(C)cc1[C@H](C)NC(=O)NC1CC1 22095943 CTHMFICNENYNLD-JTQLQIEISA-N 248.326 2.526 0 40 BFAB Cc1c(C=O)c(C)n(Cc2cccnc2)c1C 22122443 YTGMWFUEYYPRHL-UHFFFAOYSA-N 228.295 2.669 0 40 BFAB CC[C@@H](C)NC(=O)[C@H](C)Oc1cccc(C)c1C 22515764 GYUDLADURWGUOF-YPMHNXCESA-N 249.354 2.985 0 40 BFAB CC[C@@H](Oc1cccc(C)c1)C(=O)N1CCCC1 30862776 FTWVECDFTFUMCQ-CQSZACIVSA-N 247.338 2.775 0 40 BFAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccsc2)C1 32731180 YKSGDGJNHNHHPE-NXEZZACHSA-N 223.341 2.866 0 40 BFAB O=C1c2cc(Cl)sc2CN2CCCC[C@@H]12 32854028 AYWOVIJZTVYYCT-QMMMGPOBSA-N 241.743 2.952 0 40 BFAB CCOc1ccc(Nc2cc(C)nc(N)n2)cc1 32908912 GFLJDIAZWUNIMV-UHFFFAOYSA-N 244.298 2.510 0 40 BFAB Cc1ccc(-c2cc(C(=O)O)c(C)[nH]2)cc1 41228145 MRSYTTAKAOVTAB-UHFFFAOYSA-N 215.252 2.997 0 40 BFAB CCNC(=O)c1cc(C2CC2)nc2ccccc12 47221441 QJYDZLKVPJFOAY-UHFFFAOYSA-N 240.306 2.862 0 40 BFAB C[C@@H](CCc1ccco1)NC(=O)C1CCCC1 47741182 WECVNWVZMXLHRP-NSHDSACASA-N 235.327 2.907 0 40 BFAB CN(C)C(=O)Sc1ccc2c(c1)CCCC2=O 47844216 AMZNKLYLFKFXDT-UHFFFAOYSA-N 249.335 2.979 0 40 BFAB COC(=O)/C=C/c1ccc(OC)c(Cl)c1 59156980 LNHRJNZYOJXTTA-GQCTYLIASA-N 226.659 2.535 0 40 BFAB CCc1ccc([C@@H](CN)OC(C)C)cc1 62711849 RLLWQVYGOYPEFA-CYBMUJFWSA-N 207.317 2.674 0 40 BFAB CCN(c1ccc(C(=O)N(C)C)cc1)C(C)C 65608936 JUWFQCXZHJVYHE-UHFFFAOYSA-N 234.343 2.623 0 40 BFAB O=C(C1CCCC1)N1CCCc2ncccc21 69439536 VSJUTCJJPCJQMQ-UHFFFAOYSA-N 230.311 2.551 0 40 BFAB Cc1cc(C(=O)O)nc(-c2ccccc2)c1 71256499 NCRKTZULIXYNKD-UHFFFAOYSA-N 213.236 2.755 0 40 BFAB Cc1nc(N(C)c2ccccc2)ccc1CO 72224376 NUZPIEXNPAHLFK-UHFFFAOYSA-N 228.295 2.650 0 40 BFAB Cc1ccc(-c2cc[nH]c2C(=O)O)cc1 74212644 AYWSZEPRNRAOPV-UHFFFAOYSA-N 201.225 2.688 0 40 BFAB CC(=O)Nc1ccc(OC(C)C)c(C)c1 74983889 WYSVWXFELJQQJD-UHFFFAOYSA-N 207.273 2.741 0 40 BFAB O=C(C1CC=CC1)N1CCOc2cc(F)ccc21 77997072 PCBBUGPHXISQSB-UHFFFAOYSA-N 247.269 2.517 0 40 BFAB COCCCN[C@@H](C)c1ccn(C(C)C)c1 78406219 DTWJFRCJRRAZOF-LBPRGKRZSA-N 224.348 2.756 0 40 BFAB Cc1ccc(OC(F)(F)F)cc1CC(=O)O 91252056 NBWWHUPWMQKJLK-UHFFFAOYSA-N 234.173 2.521 0 40 BFAB CCSc1ccc(NCc2ncc[nH]2)cn1 95430858 ABAIXMUTESJKHV-UHFFFAOYSA-N 234.328 2.529 0 40 BFAB CC(C)COc1ccc(Cl)cc1CCO 95739537 OGJPXHVBQQOTEM-UHFFFAOYSA-N 228.719 2.910 0 40 BFAB O[C@H]1CC[C@H](NCc2ccccc2Cl)CC1 100173854 GZQQYJGHLTXHSH-TXEJJXNPSA-N 239.746 2.733 0 40 BFAB CCN(CCCC(=O)O)c1c(C)cccc1C 135818556 LTORGPSMFMJTNX-UHFFFAOYSA-N 235.327 2.995 0 40 BFAB C[C@H](N[C@H]1CCCC[C@H]1N)c1ccccc1 143112375 QQTZYYSHFALROI-YUTCNCBUSA-N 218.344 2.607 0 40 BFAB CC(C)CCC[S@](=O)Cc1ccccn1 191200186 IYVJFUYAMICTPU-HNNXBMFYSA-N 225.357 2.767 0 40 BFAB CC(C)CCC(=O)Oc1ccc(C=O)cc1 199562471 GRSVCKSGHBZAIK-UHFFFAOYSA-N 220.268 2.841 0 40 BFAB Cc1ccc([C@@H](CN)N2CCC[C@@H](C)C2)cc1 219809638 VZNUIVSRDUUPPL-UKRRQHHQSA-N 232.371 2.727 0 40 BFAB FC(F)(F)COc1ncnc2ccsc12 585652009 JOHKTFNRJLNKFG-UHFFFAOYSA-N 234.202 2.632 0 40 BFAB CC(C)(C)c1ccn(Cc2cncs2)c(=O)c1 664031292 BVZOSFDKYKHIBY-UHFFFAOYSA-N 248.351 2.651 0 40 BFAB O=C(O)c1cncc2cc(C(F)(F)F)ccc12 1775937746 ROWFIRGLXHXWLH-UHFFFAOYSA-N 241.168 2.952 0 40 BFAB Cn1cnc(-c2ccc3ccccc3c2)n1 2362801457 JDZDPCRHBFEHFO-UHFFFAOYSA-N 209.252 2.635 0 40 BFAB Cc1nc(NCc2ccccc2)c2cc[nH]c2n1 2036 HPZHFGBKCGWNGN-UHFFFAOYSA-N 238.294 2.878 0 40 BFAB in-man COc1ccc(C(=O)c2ccco2)cc1OC 365883 FZJQJHJSIZVERE-UHFFFAOYSA-N 232.235 2.528 0 40 BFAB CCN(CC)CCOc1ccc(C(C)=O)cc1 1584362 JUMJDUKKSRYJCT-UHFFFAOYSA-N 235.327 2.610 0 40 BFAB C=COC(OC=C)C(C)(OC=C)OC=C 1717543 PLTPLVATDKEFJH-UHFFFAOYSA-N 212.245 2.669 0 40 BFAB CCCn1/c(=N\N=O)sc2ccccc21 5105446 JAFGQACPKHTHJJ-ZHACJKMWSA-N 221.285 2.695 0 40 BFAB COCCNc1nc(-c2cccs2)cs1 6559422 NUJSKZSEQMLKBX-UHFFFAOYSA-N 240.353 2.930 0 40 BFAB O=C(O)[C@@H](Nc1ccccc1)c1cccc(O)c1 6733600 WJHVYWXAJJKHRK-ZDUSSCGKSA-N 243.262 2.630 0 40 BFAB CCCc1nc2c(=O)[nH]c3ccccc3c2o1 8578619 WHTFZCDVWWLIFK-UHFFFAOYSA-N 228.251 2.622 0 40 BFAB biogenic CCC[C@@H](Nc1ccc(C)cc1)C(=O)O 8702785 RXFWROPFOAWRTD-LLVKDONJSA-N 207.273 2.660 0 40 BFAB O=Cc1cnc(SC2CCCCC2)nc1 8730897 GKJCJWAMPVXECO-UHFFFAOYSA-N 222.313 2.714 0 40 BFAB CC[C@@H](C)n1c(S)nnc1-c1ccncc1 12909887 QKBZSXVXHKPDRC-MRVPVSSYSA-N 234.328 2.600 0 40 BFAB CN(C)C(=S)c1ccc(Br)cc1 13547032 PGCISTUCVIODLK-UHFFFAOYSA-N 244.157 2.686 0 40 BFAB CC[C@@H](Nc1ccc(F)c(Cl)c1)C(=O)O 15418117 SXYOOFSHCWWIOM-SECBINFHSA-N 231.654 2.754 0 40 BFAB CCCC1CCC(N[C@H](C)COC)CC1 20087493 ZEFWDJLNQGWROM-PNESKVBLSA-N 213.365 2.970 0 40 BFAB COCc1cccc(NC(=O)c2ccoc2C)c1 25335211 FRYODKLSHYYANG-UHFFFAOYSA-N 245.278 2.987 0 40 BFAB CC[C@@]1(C)OC(=O)N(Cc2ccccc2)[C@@]1(C)O 35327538 MUMVWDVYJBOAQP-KGLIPLIRSA-N 249.310 2.516 0 40 BFAB CCN[C@@H](c1ccncc1)c1ccc(F)cc1 35539833 VJAGYOCDWUWNOW-CQSZACIVSA-N 230.286 2.920 0 40 BFAB in-vitro C[C@@H](CO)NC1CCC(C(C)(C)C)CC1 35603667 DVZBPDZDDOFJQQ-UNXYVOJBSA-N 213.365 2.562 0 40 BFAB CC(C)Cc1ccc(-c2ccc(=O)[nH]n2)cc1 36168309 AXCAYYNLSBEVJT-UHFFFAOYSA-N 228.295 2.635 0 40 BFAB C[C@H]1CCC[C@@H](NC(=O)c2ccnc(F)c2)C1 41038984 CQPOUINBWZXCAO-GXSJLCMTSA-N 236.290 2.529 0 40 BFAB Cc1ccc(C)c(C(=O)C[C@H](C)CC(=O)O)c1 43214298 OQTXPVGEWWEPOQ-JTQLQIEISA-N 234.295 2.987 0 40 BFAB CCNCc1cc(C)ccc1OC(C)C 70954876 UVBKZBOJJREKEF-UHFFFAOYSA-N 207.317 2.892 0 40 BFAB Cc1cc(NCc2ccccc2)ncc1CCO 72223383 UUGNVIMORDDQLX-UHFFFAOYSA-N 242.322 2.537 0 40 BFAB CNc1nc(-c2cc(F)cc(F)c2)ns1 83646109 FEFOWJZAJMCWGF-UHFFFAOYSA-N 227.239 2.525 0 40 BFAB Cc1cc(COC(=O)c2cccnc2)c(C)o1 95426622 XAEKYRSDPYJJNV-UHFFFAOYSA-N 231.251 2.648 0 40 BFAB O=C(O)/C=C\C(=O)c1cc(Cl)cc(Cl)c1 95727040 SNOHZHTWGGNKIF-UPHRSURJSA-N 245.061 2.817 0 40 BFAB CC(C)Oc1ccccc1CC(C)(C)O 95729152 UUGLXKGFMGRSJS-UHFFFAOYSA-N 208.301 2.787 0 40 BFAB CCCCOc1ccc(CCO)c(C)c1 95739545 UGYRRYOVETULPY-UHFFFAOYSA-N 208.301 2.709 0 40 BFAB CS[C@H]1CC[C@@H](N(C)C[C@@H]2CCCCO2)C1 96441610 FGZKQWBWHRJSSX-AGIUHOORSA-N 243.416 2.771 0 40 BFAB CCCOC(=O)c1csc(-c2ccccn2)n1 97000372 HEEQCASSWAUHME-UHFFFAOYSA-N 248.307 2.772 0 40 BFAB Cc1csc(NC(=O)N(C(C)C)C2CC2)n1 98018594 GCLSIPCNVWIENM-UHFFFAOYSA-N 239.344 2.856 0 40 BFAB O=C1CCCC[C@@H]1C(=O)C(F)(F)C(F)(F)F 100115909 QYRFDYLUCRXGSL-YFKPBYRVSA-N 244.159 2.512 0 40 BFAB CCc1noc([C@@H](C)N2CCC[C@@H](CC)C2)n1 106064595 XHUURGPLYNNUSQ-GHMZBOCLSA-N 237.347 2.815 0 40 BFAB C1CC2(C1)[C@H]1OCC[C@H]1[C@H]2N[C@@H]1C[C@H]2CC[C@H]1C2 108165572 PBFVGRSSDIOAFR-VMCMIOBHSA-N 247.382 2.722 0 40 BFAB O=C(O)[C@@H]1C[C@H]1[C@@H]1C[C@@H]1c1ccccc1 110748995 XFIGCNCLVXGNDI-WISYIIOYSA-N 202.253 2.511 0 40 BFAB Cc1nnc(SC[C@H]2CCC(C)(C)O2)s1 187336546 GSNZBUUWCOZHBL-MRVPVSSYSA-N 244.385 2.896 0 40 BFAB Cc1cccc(OC(=O)Cc2cccc(N)c2)c1 225396594 GFBVWAPKJNRANP-UHFFFAOYSA-N 241.290 2.725 0 40 BFAB COC(=O)c1ccc(F)cc1OC(F)(F)F 396117471 WZNZCUXBVDMPBZ-UHFFFAOYSA-N 238.136 2.511 0 40 BFAB CCC[C@@H](CF)NC(=O)OC(C)(C)C 575447615 JITOTISNDOCDOH-QMMMGPOBSA-N 205.273 2.649 0 40 BFAB CCc1c(C2CC2)[nH]c2ccc(O)cc2c1=O 685938773 XJKRRFYCZLLGSY-UHFFFAOYSA-N 229.279 2.674 0 40 BFAB CC[C@@H](C)c1ccc(NC(C)=O)c(O)c1 373624 CMBZLKNFJIVOAX-MRVPVSSYSA-N 207.273 2.864 0 40 BFAB Oc1ccc([C@@H]2C[C@@H](O)c3ccccc3O2)cc1 1594161 VIWWLMUBPMSXTF-HIFRSBDPSA-N 242.274 2.949 0 40 BFAB CCOP(=O)(NCc1ccco1)OCC 1662384 HPNOXSHQSZAODP-UHFFFAOYSA-N 233.204 2.550 0 40 BFAB COc1ccccc1[C@H]1OCC[C@H](C)O1 1677478 JIONPJZAVXCSGI-CABZTGNLSA-N 208.257 2.519 0 40 BFAB CCC(CC)NCCOC(=O)c1ccccc1 1710440 HUOYICSSMHZRPA-UHFFFAOYSA-N 235.327 2.622 0 40 BFAB Nc1cccc(NCC(=O)c2ccccc2)c1 3844825 KYAKSQIRMCRJOF-UHFFFAOYSA-N 226.279 2.564 0 40 BFAB biogenic Cc1cc(C)c2c(c1)C[C@H]1CCCCN1C2=O 3847859 RXJYRJWSNPPGIG-CYBMUJFWSA-N 229.323 2.854 0 40 BFAB biogenic O=C1c2ccccc2[C@H]2c3ccccc3CCN12 6243472 KLKBHFJXGPWPKK-OAHLLOKOSA-N 235.286 2.788 0 40 BFAB COc1ccccc1CNC(=O)C[C@H]1C=CCC1 8136310 NBOIGXZURBHSAT-LBPRGKRZSA-N 245.322 2.668 0 40 BFAB Cc1nccn1-c1ccc(C(F)(F)F)cc1N 11535794 LXUHLROZWSBJEL-UHFFFAOYSA-N 241.216 2.782 0 40 BFAB O=C(N[C@@H]1C[C@H]1c1ccccc1)c1ccccc1 16037386 PNDHLCFURACDRW-LSDHHAIUSA-N 237.302 2.973 0 40 BFAB OCCc1cc2cc(Br)ccc2o1 21987076 CBURFCSPYDRJQA-UHFFFAOYSA-N 241.084 2.730 0 40 BFAB CC[C@@H]1S[C@H](C)C[C@@H](OC(C)=O)[C@@H]1C 22015466 JWSCWDYIUHOXAJ-MKHNBGRSSA-N 216.346 2.858 0 40 BFAB C[C@H]1CCCN([C@@H]2OC(=O)c3ccccc32)C1 27662422 JYKDZGJVWHHXFP-GXFFZTMASA-N 231.295 2.588 0 40 BFAB Cc1cc(C(=O)O)c2c(C)nn(C(C)(C)C)c2n1 32628151 LNABWTAJAKLZLB-UHFFFAOYSA-N 247.298 2.501 0 40 BFAB in-vitro O=C(C1CC1)N1CCC[C@H]1Cc1ccccc1 32901490 HMPOKJFXUUEASB-AWEZNQCLSA-N 229.323 2.630 0 40 BFAB COc1ccc(Oc2ncc(C)cc2N)cc1 36243167 XCCJCZUAKWWJQX-UHFFFAOYSA-N 230.267 2.773 0 40 BFAB CC(C)n1c(N)nc2cc(Cl)ccc21 36889525 HLJNPBBGCNCDQP-UHFFFAOYSA-N 209.680 2.853 0 40 BFAB O=C(O)c1cc2sccc2n1CC1CC1 37263330 MRKJSPWOIHDBTH-UHFFFAOYSA-N 221.281 2.811 0 40 BFAB COC(=O)c1cnc2ccc(Cl)cc2c1 38313278 VYLXHPHYJZBSLN-UHFFFAOYSA-N 221.643 2.675 0 40 BFAB CCOC(=O)c1ccc(-c2cccnc2)s1 45028420 KIGIGJYDMFVWTK-UHFFFAOYSA-N 233.292 2.987 0 40 BFAB C[C@H](C(=O)O)N(C)Cc1cccc2ccccc12 54070413 SLULYOAJIBQCNB-LLVKDONJSA-N 243.306 2.745 0 40 BFAB CC(C)[C@H](C)NC(=O)Cc1ccc(F)cc1 57159987 ZJMOJUFDOJWUTM-JTQLQIEISA-N 223.291 2.529 0 40 BFAB Cc1ccc(CN(C)Cc2cc(C)on2)cc1 58024656 SMLAXBDUMGHGDG-UHFFFAOYSA-N 230.311 2.923 0 40 BFAB CCc1nc2ccccc2n1C[C@@H]1CCCCN1 62807720 ZLFNERUFAGXELK-LBPRGKRZSA-N 243.354 2.741 0 40 BFAB CCOc1ccc([C@@H](O)c2ccccc2)cn1 72225164 SHLNVLCCOIQXOA-AWEZNQCLSA-N 229.279 2.562 0 40 BFAB CCN(CC)C(=O)Cc1ccc(C)cc1C 74960099 UDAYFHARTXNCQK-UHFFFAOYSA-N 219.328 2.714 0 40 BFAB Cn1cncc1CNc1ccc(F)c(Cl)c1 75877601 XPPHWVPXYWOUGL-UHFFFAOYSA-N 239.681 2.825 0 40 BFAB CCn1c(-c2ccncc2N)nc2ccccc21 79699690 AUQASLDCJMAWTR-UHFFFAOYSA-N 238.294 2.700 0 40 BFAB C[C@H]1CN(C(=O)C2CCCC2)C[C@H](C)S1 80949760 PWKVBMXYNYNRHT-UWVGGRQHSA-N 227.373 2.529 0 40 BFAB COc1cccc2c1CCCN[C@H]2C(C)C 84401290 AVASWMJPVUYJBE-AWEZNQCLSA-N 219.328 2.928 0 40 BFAB Cc1ccc(N)c(N2CCCCCC2)c1 87149409 BZRFSFGENVOHKE-UHFFFAOYSA-N 204.317 2.958 0 40 BFAB O=Cc1ccc(Cl)c(C(F)(F)F)n1 95763821 GVWYQUQPLFAIPJ-UHFFFAOYSA-N 209.554 2.566 0 40 BFAB CC(C)CN1C[C@H]2CCC[C@@H](CN(C)C)[C@H]2C1 96081867 WKDTVTPLLXPBOO-RRFJBIMHSA-N 238.419 2.552 0 40 BFAB COC(=O)c1cc(C)cc(-c2ccccc2)n1 98177550 RXEBDJMYLFMGKI-UHFFFAOYSA-N 227.263 2.844 0 40 BFAB in-vitro COc1ccc2c(c1)C1[C@H]3C4C5[C@@H]3C2[C@@H]5[C@@H]14 101037048 ACYLUOJGJPYKPD-HLTUOOCMSA-N 210.276 2.628 0 40 BFAB CC(C)/C=C/[C@@H](C)C(=O)CC(=O)OC(C)C 104114501 MZEAWAJQXIIKCI-XUIVZRPNSA-N 226.316 2.746 0 40 BFAB C[C@H]1CCCC[C@@H]1CNCC[C@@H](C)[S@](C)=O 134860268 AQZKKLMLDCRYCP-VPWBDBDCSA-N 245.432 2.559 0 40 BFAB Cn1c2ccccc2c2ncnc(Cl)c21 137935894 SXPRAZDMASJQLG-UHFFFAOYSA-N 217.659 2.775 0 40 BFAB Fc1ccc(CC2C[C@@H]3CC[C@H](C2)N3)cc1 147600117 NRSLGNLBTYMOTL-QXMXGUDHSA-N 219.303 2.899 0 40 BFAB CCCOc1ccc(CN[C@@H]2CCOC2)c(C)c1 188793327 AKLRCTOJPBKCDJ-CQSZACIVSA-N 249.354 2.662 0 40 BFAB C[Si](C)(C)c1ccc(F)c(C(=O)O)c1Cl 219789674 TXRPMNUIBCGKNM-UHFFFAOYSA-N 246.741 2.723 0 40 BFAB Cc1ccc(Cc2ccc(CCN)o2)cc1 221019799 LTYOAJLXSJHKOF-UHFFFAOYSA-N 215.296 2.680 0 40 BFAB COC(=O)c1cccn1-c1ccc(C)c(C)c1 223724582 RBWXYRYUDOUJKY-UHFFFAOYSA-N 229.279 2.881 0 40 BFAB CSCCCN(C)C(=O)N[C@@H](C)C(C)(C)C 252492112 MDDNTAQWUCJFSF-JTQLQIEISA-N 246.420 2.816 0 40 BFAB CC1(C)COc2c(Br)cccc2O1 306717838 HYEGONXZTKJBBF-UHFFFAOYSA-N 243.100 2.999 0 40 BFAB CC1(C)CC(=O)c2c([nH]c3cccnc23)C1 694738178 ATXGNVKOSHWPRL-UHFFFAOYSA-N 214.268 2.718 0 40 BFAB CC(C)N(C(=O)Cc1ccccc1)C(C)C 1670700 VWXNWALHYPKGHU-UHFFFAOYSA-N 219.328 2.875 0 40 BFAB CCCC(=O)O[C@H](C)COc1ccccc1 1874327 HHGHNLAJUQONRU-LLVKDONJSA-N 222.284 2.797 0 40 BFAB CCCN(CCC)C(=O)NC(=O)c1ccccc1 1891121 MHABHDZRZNQCLZ-UHFFFAOYSA-N 248.326 2.658 0 40 BFAB CC(=O)c1ccc(NCn2nc(C)cc2C)cc1 3852209 GWNZMBCAIFURBR-UHFFFAOYSA-N 243.310 2.772 0 40 BFAB biogenic CCCCCNC(=O)CCc1ccc(OC)cc1 5463759 QGAITBZNRJHSOR-UHFFFAOYSA-N 249.354 2.934 0 40 BFAB c1ccc2c(c1)CCCc1c[n+]3ccccc3nc1-2 5604644 IGUWIHIEEMZYQZ-UHFFFAOYSA-N 247.321 2.976 0 40 BFAB CCCc1c(C(=O)O)cnn1-c1ccc(F)cc1 6774455 VEORDRZPVCZNOY-UHFFFAOYSA-N 248.257 2.662 0 40 BFAB O=C(O)c1cnc(Nc2ccccc2)s1 12404932 JVDCBFYWWGXIRC-UHFFFAOYSA-N 220.253 2.585 0 40 BFAB O=C(NCC1CC1)c1cc2ccccc2cc1O 13005286 SUVJSPIMJAZVIC-UHFFFAOYSA-N 241.290 2.685 0 40 BFAB CCCN1CCN(c2cccc(Cl)c2)CC1 13724924 GSNOQYGWFHFQEV-UHFFFAOYSA-N 238.762 2.872 0 40 BFAB in-vitro C/C=C\C(=O)OCCCc1ccccc1 17313591 OSJGHGHIAYUYSS-UQCOIBPSSA-N 204.269 2.739 0 40 BFAB CSc1ccc([C@@H](C)NC(=O)C2CC2)cc1 19935147 QZHYFFPDDOFPFA-SECBINFHSA-N 235.352 2.996 0 40 BFAB CCOc1ccc(N)cc1C(=O)O[C@H](C)CC 20155752 OPUKKUFPSXAAAJ-SECBINFHSA-N 237.299 2.623 0 40 BFAB Cc1noc(C(C)C)c1C(=O)NC1CCCC1 21555770 PODGQBUSNDTFIW-UHFFFAOYSA-N 236.315 2.779 0 40 BFAB O=Cc1cc2c(cc1-c1cccs1)OCO2 21950665 KMBVLIUJDGQRLJ-UHFFFAOYSA-N 232.260 2.956 0 40 BFAB Cc1ccc(NC(=O)N[C@H](C)C2CC2)cc1 23990205 UUAMFQYJHNXPCL-SNVBAGLBSA-N 218.300 2.915 0 40 BFAB CSc1nc(NC2CC2)c2ccccc2n1 31784197 NGIIVGOWVGASSM-UHFFFAOYSA-N 231.324 2.926 0 40 BFAB COCc1cccc(NCc2cccnc2)c1 36918034 ZAJMFVXJJTZMQM-UHFFFAOYSA-N 228.295 2.840 0 40 BFAB C[C@@H](N)CCc1ccccc1Br 37408532 HEPIOEQTKIQTIV-MRVPVSSYSA-N 228.133 2.729 0 40 BFAB OCc1ccc(-c2ccc(F)c(F)c2F)o1 37715672 HQTWBBVNLAIIPH-UHFFFAOYSA-N 228.169 2.856 0 40 BFAB Cc1cc(Cl)ccc1O[C@H]1CCCNC1 38580782 QUYTWEISIMZHED-NSHDSACASA-N 225.719 2.779 0 40 BFAB CC(C)(C)OC(=O)N[C@H]1CC=C(F)CC1 39093857 YFTMXYHCMSSHJJ-VIFPVBQESA-N 215.268 2.917 0 40 BFAB CC[C@H](C)C(=O)CC(=O)c1ccccc1 39268863 VTLQBZISYPTVHR-JTQLQIEISA-N 204.269 2.875 0 40 BFAB C/C=C/CN(C)Cc1ccc(OC)c(OC)c1 40475856 GNRVDEGWDVWMNF-AATRIKPKSA-N 235.327 2.712 0 40 BFAB CCC[C@@H](CN)c1ccc(OC)c(OC)c1 41242817 MXDXFEGLTHNAPD-NSHDSACASA-N 223.316 2.546 0 40 BFAB CC(=O)N[C@H](C)c1ccccc1Br 42162894 VZHBWZBVAVLOLV-SSDOTTSWSA-N 242.116 2.646 0 40 BFAB Cc1csc(SCC2CCNCC2)n1 43498120 JWHVTCQJSCFCGV-UHFFFAOYSA-N 228.386 2.543 0 40 BFAB COCC(=O)Cc1ccc(C(C)C)cc1 43504872 ZYLDJZKJGZJDJG-UHFFFAOYSA-N 206.285 2.568 0 40 BFAB Cc1cccc(C(=O)c2cccc(F)c2F)n1 45028500 WIAXHTIBCIEJTL-UHFFFAOYSA-N 233.217 2.899 0 40 BFAB CN(C)C(=O)CSCc1ccc(Cl)s1 45288657 IXUOTKUCWRPUDK-UHFFFAOYSA-N 249.788 2.723 0 40 BFAB Cc1cc(N2CCCC[C@@H]2C)ccc1N 59233854 TZGRJKIRIAWBQL-NSHDSACASA-N 204.317 2.956 0 40 BFAB in-vitro Cc1cc(Nc2ccccc2)ncc1CO 72223307 RZSNOFAAGVBSFQ-UHFFFAOYSA-N 214.268 2.626 0 40 BFAB CC(C)COc1ccc2cc(N)cnc2c1 72226642 RIFCSTXEUVFOKC-UHFFFAOYSA-N 216.284 2.852 0 40 BFAB COC(=O)CNc1cccc(OC2CCCC2)c1 79033585 DJZLPMLZJUSIMI-UHFFFAOYSA-N 249.310 2.593 0 40 BFAB C[C@H]1CCCCC[C@@H]1Nc1ncccn1 83949616 ULKLEJFHKDMDOU-QWRGUYRKSA-N 205.305 2.857 0 40 BFAB CCc1cnc(CSCc2cc(C)on2)o1 89289623 GFOQDTGYCLDCRO-UHFFFAOYSA-N 238.312 2.967 0 40 BFAB CSc1ccccc1[C@H](O)c1ccccn1 95727427 MKIKFDHRKCJYFU-ZDUSSCGKSA-N 231.320 2.885 0 40 BFAB Cc1ccc(C(=O)c2nccs2)s1 95728687 UAVVNJWLWZQPRE-UHFFFAOYSA-N 209.295 2.744 0 40 BFAB c1cc(CN2CCCSCC2)cs1 97113624 CYZAFWVKCQVBFF-UHFFFAOYSA-N 213.371 2.687 0 40 BFAB CSCc1ccccc1NC(=O)c1cc[nH]n1 97115866 VJLKQWLDBAKORF-UHFFFAOYSA-N 247.323 2.525 0 40 BFAB O[C@H]1CC[C@H](NCc2ccc(Cl)cc2)CC1 100173852 FVWZZFNLICGLMQ-BETUJISGSA-N 239.746 2.733 0 40 BFAB O=C(C1=NO[C@@H]2[C@@H]3CC[C@H](C3)[C@H]12)c1ccccc1 103107589 CEAYTPVKXPIMKF-RTWAVKEYSA-N 241.290 2.670 0 40 BFAB O=Cc1c(Br)ccc(Cl)c1O 238719947 CUYYOKQDOFJPLK-UHFFFAOYSA-N 235.464 2.621 0 40 BFAB O=Cc1c(Cl)ccn(C2CCCCC2)c1=O 575422633 IGSMQJQIPZTISZ-UHFFFAOYSA-N 239.702 2.819 0 40 BFAB Oc1[nH]c2ccccc2c1OCc1ccncc1 320147 FXSBFEYIOAISKM-UHFFFAOYSA-N 240.262 2.848 0 40 BFAB C[C@H]1CC=CC[C@H]1C1OCC(C)(C)CO1 1615277 GEVSVFAZIUJFHZ-WDEREUQCSA-N 210.317 2.988 0 40 BFAB Clc1nc2nc(C3CC3)[nH]c2nc1Cl 1649158 DILCPNYDWPCASA-UHFFFAOYSA-N 229.070 2.537 0 40 BFAB O=S(=O)(O)c1ccc2[nH]c3ccccc3c2c1 1736032 YZBZIFVZGHFVBS-UHFFFAOYSA-N 247.275 2.568 0 40 BFAB CC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 3045629 KKNCMPFBSNHOCN-NSHDSACASA-N 217.312 2.834 0 40 BFAB O=C(Nc1ccccc1)[C@@H]1Cc2ccccc21 3848210 YMMGZWJMXZSCGH-CQSZACIVSA-N 223.275 2.965 0 40 BFAB biogenic Cc1cc(/C=C/C(=O)O)c(C)n1C1CC1 4206299 DQINJRIDMZJWTI-ZZXKWVIFSA-N 205.257 2.538 0 40 BFAB COc1ccc(NC(=O)c2cccc(C)c2)cn1 6122765 VEHZOVKLVDJFPX-UHFFFAOYSA-N 242.278 2.651 0 40 BFAB CC1=Cc2ccccc2[C@@H]1NC(C)(C)C(=O)O 8730716 SVXJLZKBHFCAOT-GFCCVEGCSA-N 231.295 2.597 0 40 BFAB CNC(=O)[C@H](C)Sc1ccc(Cl)cc1 14166160 PQHUHKQMIADTTD-ZETCQYMHSA-N 229.732 2.567 0 40 BFAB CNCCCc1cccc(Br)c1 19785255 DGFQHUKUNIXVRQ-UHFFFAOYSA-N 228.133 2.601 0 40 BFAB CCN[C@H](C)c1cccc(OC(F)F)c1 20084542 UJIONZQCNQZTKT-MRVPVSSYSA-N 215.243 2.959 0 40 BFAB NC(=O)COc1ccc(C2CCCCC2)cc1 20136314 KMANGLKERMRYGF-UHFFFAOYSA-N 233.311 2.598 0 40 BFAB CC(C)(C)O[C@H](C(=O)O)c1ccccc1 20506590 YPCKHPPKPKEHMI-JTQLQIEISA-N 208.257 2.627 0 40 BFAB in-vitro CCOC(=O)Cc1c(C)[nH]c2ccc(OC)cc12 22010819 MDEARKLIJNPQCN-UHFFFAOYSA-N 247.294 2.591 0 40 BFAB Cc1ccc(C(=O)N2CCCCCCC2)n1C 32843862 DRMFKVCZRLQHKL-UHFFFAOYSA-N 234.343 2.740 0 40 BFAB COC(=O)c1cccc2c(C)cccc12 34454555 WFUXDTCCMMZNRC-UHFFFAOYSA-N 200.237 2.935 0 40 BFAB O=C(O)c1ncc(-c2ccc(Cl)cc2)o1 36161407 ADODKNPTCRCQJX-UHFFFAOYSA-N 223.615 2.693 0 40 BFAB O[C@H]1CCc2[nH]c3ccc(Cl)cc3c2C1 39332296 RRLMGKSFHNZBGB-QMMMGPOBSA-N 221.687 2.671 0 40 BFAB in-vitro CCn1c(CCCO)nc2ccc(Cl)cc21 40417190 LHPMAZVRRHKSQQ-UHFFFAOYSA-N 238.718 2.635 0 40 BFAB Cc1ccc(-n2nnnc2SC(C)C)c(C)c1 41769684 WQICRVVXXAPEOK-UHFFFAOYSA-N 248.355 2.780 0 40 BFAB CCc1ccc(OC[C@H]2CCNC2)c(Cl)c1 42770902 QYUFBZDLEDDYIO-NSHDSACASA-N 239.746 2.891 0 40 BFAB COc1cccc(C(=O)c2ccc(C)cc2)n1 45028718 DKNSFOAJMJPFHM-UHFFFAOYSA-N 227.263 2.630 0 40 BFAB O=C(Nc1ccc(OC(F)(F)F)cc1)C1CC1 45480408 FSYSXKRGCDCGNH-UHFFFAOYSA-N 245.200 2.934 0 40 BFAB CCOc1ccc(NC(=O)NC2CC2)cc1F 48696600 JSSZIVUNFNICAS-UHFFFAOYSA-N 238.262 2.508 0 40 BFAB COc1ccc(-c2ccc(C(N)=O)c(F)c2)cc1 69616140 IKHLAKWZPYHODD-UHFFFAOYSA-N 245.253 2.600 0 40 BFAB CCc1ccc([C@@H](C)N[C@@H]2CCOC2)cc1 70966029 RISKLTGOBDZYBK-BXUZGUMPSA-N 219.328 2.689 0 40 BFAB CC1(CN2CC[C@@H](c3ccccc3)C2)COC1 71914000 WCRCIRHNHBSDPS-CQSZACIVSA-N 231.339 2.512 0 40 BFAB CCCNC/C=C/c1ccccc1OC 71976833 UQDUUIYFBYZCQM-SOFGYWHQSA-N 205.301 2.708 0 40 BFAB CCCN1CCCC[C@H]1c1ccc(N)nc1C 72218579 CHFIARZGABTOLV-ZDUSSCGKSA-N 233.359 2.909 0 40 BFAB CC[C@H](N)COCc1cccc(Cl)c1 74496243 NLLQBPINGAULII-NSHDSACASA-N 213.708 2.594 0 40 BFAB CCCN(CC(=O)O)c1ccccc1CC 76610624 GTUBIUPRANWCEJ-UHFFFAOYSA-N 221.300 2.550 0 40 BFAB CC(C)(CN)c1c[nH]c2cc(F)ccc12 82593854 QLCZEPVFLQULMM-UHFFFAOYSA-N 206.264 2.543 0 40 BFAB in-vitro COc1ccc(C(=O)C2CCC2)c(C)c1 83696512 HOYZGXLFHYZPEQ-UHFFFAOYSA-N 204.269 2.986 0 40 BFAB CN[C@H]1COc2c(Cl)cc(Cl)cc2C1 90505515 BEJHENNKHSMTPQ-MRVPVSSYSA-N 232.110 2.516 0 40 BFAB CC(C)=CCC[C@@H](C)NCc1cnn(C)c1C 90888013 MAJNWCHXFVJHMD-GFCCVEGCSA-N 235.375 2.953 0 40 BFAB Cc1cc([C@H](C)N[C@H]2CCOC2)cc(C)c1F 95423370 LUBDCCGXARADHC-AAEUAGOBSA-N 237.318 2.882 0 40 BFAB CC[C@@H](C)[C@H](CO)Nc1ccc(Cl)cn1 95963229 TYBNVUAADAAULD-SCZZXKLOSA-N 228.723 2.554 0 40 BFAB Cc1cnccc1NC(=O)N1CCCC1(C)C 95981994 UPODDFJYXOYJII-UHFFFAOYSA-N 233.315 2.796 0 40 BFAB COc1ccccc1NCCOC(C)(C)C 95992744 QHUGIEXOMDSJTN-UHFFFAOYSA-N 223.316 2.922 0 40 BFAB CCn1c(O)c(C(C)=O)c2cc(F)ccc21 96026259 QSTSMCDGBZKKEQ-UHFFFAOYSA-N 221.231 2.709 0 40 BFAB CCCC(O)(C(F)(F)F)C(F)(F)F 96179489 MMNYCAKHZCJYDH-UHFFFAOYSA-N 210.117 2.642 0 40 BFAB CC(=O)c1ccc(C(=O)OCc2ccoc2)cc1 97084186 NYHRXDOQRDNEGI-UHFFFAOYSA-N 244.246 2.839 0 40 BFAB O=C1[C@H]2CC[C@H](C2)C(=O)[C@H]2C[C@H]1c1ccccc12 104292944 YRSJNRIOPYFJRB-DJBIQUGXSA-N 240.302 2.826 0 40 BFAB CCCC(=O)c1ccc(C(=O)OC)cc1C 145788245 XURRHTJBALTEGU-UHFFFAOYSA-N 220.268 2.764 0 40 BFAB CCN1CCC2(CC1)CC(=O)c1ccccc1O2 164720445 YJYNWVIXHPMRJJ-UHFFFAOYSA-N 245.322 2.506 0 40 BFAB Cc1ccc(C)c(C(=O)c2ccncc2N)c1 199711350 JJJUVHLRBWHXFR-UHFFFAOYSA-N 226.279 2.512 0 40 BFAB O=C(c1ccc(F)c(F)c1)N1[C@H]2C=CC[C@H]1CC2 208012941 BBMMWWVJKGWEHH-QWRGUYRKSA-N 249.260 2.898 0 40 BFAB COC(=O)Cc1coc(/C=C/c2cccs2)n1 218702569 ZAJYBUPFAWYCPG-SNAWJCMRSA-N 249.291 2.622 0 40 BFAB COC(=O)CN1c2ccccc2[C@@H](C)CC1(C)C 223187560 QUXFUQJWJQAIRM-NSHDSACASA-N 247.338 2.952 0 40 BFAB CCC(C)(C)NC(=S)Nc1ncccc1C 225645624 ACUZLMUKKATWJU-UHFFFAOYSA-N 237.372 2.865 0 40 BFAB CC(=O)Nc1ccccc1-c1ccc(C(=O)O)o1 226351757 XEKQJRXJNAFDGN-UHFFFAOYSA-N 245.234 2.603 0 40 BFAB Cc1cn(CCF)nc1NCc1ccccc1 256050554 FMFPRWZOKNSQEC-UHFFFAOYSA-N 233.290 2.773 0 40 BFAB Cc1cn(CCF)nc1NCCc1ccccc1 256053892 UBJKVGMWMIWTSX-UHFFFAOYSA-N 247.317 2.816 0 40 BFAB O=C(O)c1cc(-c2cc(F)ccc2Cl)on1 258416402 ZMIKNAJITZWUAE-UHFFFAOYSA-N 241.605 2.832 0 40 BFAB CCOC(=O)C[C@H]1CCCC(F)(F)C1 260910727 GUAUOVMBHBHAKJ-MRVPVSSYSA-N 206.232 2.765 0 40 BFAB CCCCn1ccc(COCC(F)(F)F)n1 408716219 KBXLZBNDLASMTJ-UHFFFAOYSA-N 236.237 2.762 0 40 BFAB COc1ccc2c(c1C)CCc1sc(=N)[nH]c1-2 408721846 ALAFWJDAZKPAJA-UHFFFAOYSA-N 246.335 2.638 0 40 BFAB Cc1ccnc(O[C@H](C)c2ccncc2)c1 585655229 XNTNBQWGVWDIIF-LLVKDONJSA-N 214.268 2.925 0 40 BFAB OC1(Cc2cc(F)cc(Cl)c2)CCOCC1 1083806408 VCXGKTSPYPVWDE-UHFFFAOYSA-N 244.693 2.563 0 40 BFAB CC(C)(C)[C@@]1(C)Oc2cccc(O)c2O1 345587 QKBYZSNVIUNUAD-LBPRGKRZSA-N 208.257 2.926 0 40 BFAB CCOc1cccc(NC(=O)c2cccnc2)c1 349141 XMXRHQBPGXFBBC-UHFFFAOYSA-N 242.278 2.733 0 40 BFAB CCOC(=O)n1c(SC)nc2ccccc21 367580 ITKPDTDHIBATFB-UHFFFAOYSA-N 236.296 2.763 0 40 BFAB CCCNCC(=O)Nc1ccc(C)c(Cl)c1 1671700 QMVYRSDFVPCGKJ-UHFFFAOYSA-N 240.734 2.587 0 40 BFAB COc1cccc([C@@H]2CCCC[C@@H]2O)c1 1765737 MXBZVUAIQKNHIE-STQMWFEESA-N 206.285 2.714 0 40 BFAB CCCNC(=O)COc1ccc(Cl)cc1C 2084813 QBDMHULBUKQSDR-UHFFFAOYSA-N 241.718 2.553 0 40 BFAB COC(=O)CCCOc1ccc(Cl)cc1 2384750 NKQYQRFVXNXTBS-UHFFFAOYSA-N 228.675 2.672 0 40 BFAB in-vitro CC1(C)[C@@H]2CC[C@@]1(C)[C@H](SCCO)C2 4028681 AGZBMLIJEPVRHP-FOGDFJRCSA-N 214.374 2.927 0 40 BFAB Cc1ccc(C)c(CSc2nncn2C)c1 6501645 UXURRIPBLSRIAV-UHFFFAOYSA-N 233.340 2.724 0 40 BFAB O=C(Nc1ccc2c(c1)CCC2)C1CCOCC1 8429468 UPXPOMHZQXBVJL-UHFFFAOYSA-N 245.322 2.540 0 40 BFAB O=C(Nc1nc2c(s1)CCCC2)c1ccoc1 9535245 YEECSJLSWOKZMX-UHFFFAOYSA-N 248.307 2.867 0 40 BFAB CC(C)c1ccccc1OCCC(=O)O 11957614 FHVPBNGWHCBGKE-UHFFFAOYSA-N 208.257 2.664 0 40 BFAB in-vitro CC(C)[C@@H](NCc1ccc(Cl)cc1)C(=O)O 19787756 UWDPUPXJVAYDBR-LLVKDONJSA-N 241.718 2.539 0 40 BFAB in-vitro CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)c2ccccc21 20357624 REHNRWSWBXHXSB-NEPJUHHUSA-N 249.310 2.690 0 40 BFAB CC(C)(CN)c1ccc(C(F)(F)F)cc1 20357677 SXZIKPXFJOWZCL-UHFFFAOYSA-N 217.234 2.942 0 40 BFAB O=C(O)C1(c2c(F)cccc2Cl)CCC1 20429428 FZJYVCRHMAABKJ-UHFFFAOYSA-N 228.650 2.985 0 40 BFAB CC1(C)CCC[C@]2(C)C=C(C(=O)O)[C@@H](O)C[C@@H]12 31169642 LQZXAHKUYJVAAR-COPLHBTASA-N 238.327 2.595 0 40 BFAB biogenic,in-vitro Cc1csc2nc(-c3ccccc3)nn12 32250573 DUVAMOWJTDFUKS-UHFFFAOYSA-N 215.281 2.766 0 40 BFAB CCOc1ccc(C(=O)O)c2ccccc12 33790329 AOKDTARDWHVNDE-UHFFFAOYSA-N 216.236 2.937 0 40 BFAB in-vitro COc1cc(C)c(C(=O)C2CC2)cc1C 36157560 FQHSLACFMSKRSP-UHFFFAOYSA-N 204.269 2.905 0 40 BFAB CCOC(=O)c1csc2ncnc(Cl)c12 36226171 MHFSKNOBTNLWKM-UHFFFAOYSA-N 242.687 2.521 0 40 BFAB in-vitro O=C(NCCSCc1ccsc1)C1CC1 36392336 ROVXWXDLHDNMCF-UHFFFAOYSA-N 241.381 2.508 0 40 BFAB CCOC(=O)[C@H]1C[C@H](c2ccccc2)CCC1=O 38665663 JZNYKTFYDHOKCD-OLZOCXBDSA-N 246.306 2.703 0 40 BFAB CCC(=O)N1CCC[C@H]1c1cccc(OC)c1 40487653 GOHKPSCRGCKJMF-ZDUSSCGKSA-N 233.311 2.769 0 40 BFAB Oc1ccc(OCCOc2ccccc2)cc1 41252248 BKIMVCUPWPSYNU-UHFFFAOYSA-N 230.263 2.850 0 40 BFAB CN(Cc1ccco1)c1cnnc2ccccc12 46087264 LPUMKCAOCZNIKE-UHFFFAOYSA-N 239.278 2.859 0 40 BFAB O=C(CC[C@H]1CCCO1)NC1CCCCCC1 46121944 MRGGHSVKHJJAJX-CYBMUJFWSA-N 239.359 2.785 0 40 BFAB CN1CCC(c2cn(C)c3ccc(O)cc23)CC1 49582155 DSJITLRFLSAQBQ-UHFFFAOYSA-N 244.338 2.693 0 40 BFAB CCCCC[C@H](C)NC(=O)NCCC 57580927 YLFNTOSQULNSBW-JTQLQIEISA-N 200.326 2.664 0 40 BFAB CCO[C@H](CN)c1cccc(C(F)(F)F)c1 62711956 VPFWQLQLBCKLRR-SNVBAGLBSA-N 233.233 2.742 0 40 BFAB Cc1cc(CN2CC[C@@H](c3ccccc3)C2)on1 65504199 ORWWPLFSZLYNOU-CQSZACIVSA-N 242.322 2.973 0 40 BFAB CC(=O)N1CCCC[C@H]1c1cccs1 72221665 UXSJHVPAJPXQCD-JTQLQIEISA-N 209.314 2.822 0 40 BFAB CC(C)c1cccc2cc3c(nc12)OCCNC3 72392275 UUMCPDYFHSZFMD-UHFFFAOYSA-N 242.322 2.840 0 40 BFAB CC(C)C[C@H](CN)CC(=O)OCc1ccccc1 88273421 ITJDOOGJVJBDQH-AWEZNQCLSA-N 249.354 2.741 0 40 BFAB in-vitro Cc1nc(C)c(CN2CCC2(C)C)s1 89559170 BYGRFRTXANJXED-UHFFFAOYSA-N 210.346 2.744 0 40 BFAB COc1ccc(F)cc1[C@](C)(O)C(C)C 95739232 HJCFXHKXKALVTB-GFCCVEGCSA-N 212.264 2.698 0 40 BFAB Cc1ccc(-n2nc(C)cc2/C=C/C(=O)O)cc1 97673662 QGGQTESGMYOMBU-BQYQJAHWSA-N 242.278 2.587 0 40 BFAB CN(C(=O)C(F)(F)F)S(C)(C)C(C)(C)C 100503370 HBZJKFQYRKDYFC-UHFFFAOYSA-N 245.310 2.785 0 40 BFAB CCOC(=O)[C@H]1CC[C@@H](OC(C)C)CC1 118675888 BACRLJUMCQABNV-XYPYZODXSA-N 214.305 2.533 0 40 BFAB Cc1cccc([C@H](NN)c2ccccc2)c1 161806043 YMSVFDYQEUMOAO-CQSZACIVSA-N 212.296 2.548 0 40 BFAB Cc1noc([C@@H](C)SCC[C@@H]2CCCO2)n1 195576799 BXORNHOOZUNCTR-SCZZXKLOSA-N 242.344 2.741 0 40 BFAB Cc1cccc([S@](=O)CCCOC(C)C)c1 195579599 VPRWWBDWEJZASS-MRXNPFEDSA-N 240.368 2.918 0 40 BFAB CC[C@H](C)C(=O)c1ccc(OC(C)=O)cc1 219321686 UKCRJUBMFGNCDZ-VIFPVBQESA-N 220.268 2.841 0 40 BFAB CCCN(CCCC(=O)O)c1ccccc1F 224986863 UPPGEVMIOYLUKT-UHFFFAOYSA-N 239.290 2.907 0 40 BFAB Cc1ccc(C)c([C@@H](O)c2cccc(N)c2)c1 226291605 KHHQLWCVIMIBFP-HNNXBMFYSA-N 227.307 2.967 0 40 BFAB Cc1cc(N)cc(Cl)c1NC(=O)C(C)C 226755793 XNTXEBCNQRFOMK-UHFFFAOYSA-N 226.707 2.825 0 40 BFAB Fc1cnc(OC2CCC(F)(F)CC2)nc1 585651396 LMUVEQXCHADAFZ-UHFFFAOYSA-N 232.205 2.572 0 40 BFAB CC1(C)C[C@@H]1NC(=O)C[C@H]1CCCC1(F)F 822643427 WXEGPHOIFHYDJU-BDAKNGLRSA-N 231.286 2.727 0 40 BFAB Cc1cc[n+](Cc2ccccc2Cl)cc1 1619215 DTLYHXZPJHISNN-UHFFFAOYSA-N 218.707 2.984 0 40 BFAB CC(C)OC(=O)CCCCCC(=O)OC(C)C 1685832 FWBWDWDQUFGCOG-UHFFFAOYSA-N 244.331 2.840 0 40 BFAB CCOC(=O)C(C)(C)CC(=O)c1ccccc1 2378869 XXWKAOVDOXZXBY-UHFFFAOYSA-N 234.295 2.849 0 40 BFAB O=C(NC1CCCCC1)NC1CCCC1 3162975 BJACBZKEOWKPPG-UHFFFAOYSA-N 210.321 2.561 0 40 BFAB O=C1Nc2cc3oc4ccccc4c3cc2C1=O 4027009 QTYBUFZPADYYOG-UHFFFAOYSA-N 237.214 2.721 0 40 BFAB biogenic Cc1cccc(OCC(=O)N2CCC(C)CC2)c1 6217215 RLCNFCKQFREZTA-UHFFFAOYSA-N 247.338 2.632 0 40 BFAB CNc1nc(=S)nc(-c2ccccc2)s1 8652665 FROGUALSYGKNHG-UHFFFAOYSA-N 235.337 2.976 0 40 BFAB Cc1cccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)c1C 12978831 NZXUFRCDGTXOOL-RYUDHWBXSA-N 247.338 2.553 0 40 BFAB O=C(NC1CC1)c1csc(-c2ccccc2)n1 15497657 NRQOHNZXHGUXHM-UHFFFAOYSA-N 244.319 2.702 0 40 BFAB CCC[C@@H](C(=O)O)c1ccccc1OC 16778407 LEROTGCSYGBESL-SNVBAGLBSA-N 208.257 2.664 0 40 BFAB Cc1cc(N)ccc1NC(=O)c1ccccc1F 19736411 LTKXHVNDJVDNCZ-UHFFFAOYSA-N 244.269 2.969 0 40 BFAB Nc1cccc(COc2ccc3c(c2)OCO3)c1 19843539 PCCAGMYSYCHRJO-UHFFFAOYSA-N 243.262 2.577 0 40 BFAB O=C(O)c1ccc2oc(-c3ccncc3)nc2c1 20158796 KXANPESVSHKFIO-UHFFFAOYSA-N 240.218 2.588 0 40 BFAB Nc1cc(Cl)ccc1C(=O)Nc1cccnc1 22145272 VDJHPGBXOBKBKR-UHFFFAOYSA-N 247.685 2.570 0 40 BFAB CNCc1ccc(-c2c(F)cccc2F)o1 36819165 IZDQZGOUGVFDOZ-UHFFFAOYSA-N 223.222 2.944 0 40 BFAB COC(=N)c1ccc(Cl)cc1Cl 37928059 MWCGZRCDBCNQIT-UHFFFAOYSA-N 204.056 2.965 0 40 BFAB CSCC(=O)c1ccc(F)cc1F 38064054 BNIWUBRPXPZHFK-UHFFFAOYSA-N 202.225 2.511 0 40 BFAB CCOc1c(F)cc(C(=O)O)cc1Cl 38529974 UZGWOMNUSFRIRW-UHFFFAOYSA-N 218.611 2.576 0 40 BFAB in-vitro COc1ccc(C(F)(F)F)cc1CCC(=O)O 38529999 MKAOQVAYYRNIFO-UHFFFAOYSA-N 248.200 2.731 0 40 BFAB Cc1cccc(C)c1NC(=O)N1CCCC1 40526406 PUWMIPVILLCTAF-UHFFFAOYSA-N 218.300 2.931 0 40 BFAB CCC(=O)N[C@H](c1ccccc1)c1ccncc1 65542103 XFCFEJUVTXRENV-OAHLLOKOSA-N 240.306 2.697 0 40 BFAB Cc1nc(C)c(C(=O)N2CCC[C@H](C)C2)s1 69350342 CZECUQSRDQRTGF-QMMMGPOBSA-N 238.356 2.632 0 40 BFAB CC(C)(C)c1cc(C2(CO)CCCC2)no1 72220631 LLNJWLXHEFZYJA-UHFFFAOYSA-N 223.316 2.776 0 40 BFAB CCOC(=O)c1c(C)n[nH]c1-c1cccs1 72220732 LIWMSDGJBTVCQH-UHFFFAOYSA-N 236.296 2.623 0 40 BFAB CCCNc1ccc(C(=O)CC)c(C)n1 72224248 QPCCYXPNBLOPAZ-UHFFFAOYSA-N 206.289 2.805 0 40 BFAB c1ccc(CN2CCC[C@H]2c2cnccn2)cc1 72356846 QFUBEALLAKBAAJ-HNNXBMFYSA-N 239.322 2.814 0 40 BFAB c1cc(C[C@@H]2CCCNC2)c2cccnc2c1 72367581 BREMYRXNVIZJKS-LBPRGKRZSA-N 226.323 2.777 0 40 BFAB NCCc1nc(-c2ccccc2)c2ccccn12 83253551 KYAMGLJRCGOEHV-UHFFFAOYSA-N 237.306 2.503 0 40 BFAB CCc1n[nH]c(NCc2scnc2C)c1C 89280071 DRBDHWNUUNYHPS-UHFFFAOYSA-N 236.344 2.658 0 40 BFAB COc1ccc2c(c1)[C@@](O)(C(F)(F)F)CCC2 92387571 QDSQMQDYARHYSX-LLVKDONJSA-N 246.228 2.781 0 40 BFAB O=C(O)c1cccc2nc(Cl)c(Cl)nc12 95093419 NMYQKGFEKBEDKB-UHFFFAOYSA-N 243.049 2.635 0 40 BFAB CC(C)CCOc1cccc(CCO)c1 95730564 BKZZEXDNPSSBAD-UHFFFAOYSA-N 208.301 2.646 0 40 BFAB CCO[C@H](C)c1nccn1CC1CCC1 95977991 NYPHCSVLEROFNP-SNVBAGLBSA-N 208.305 2.781 0 40 BFAB CCS[C@H]1CCC[C@H]1NC(=O)C1CCCC1 96450674 IOKQYDOGBPGVPN-NEPJUHHUSA-N 241.400 2.967 0 40 BFAB C[C@@H]1CC[C@H]1COc1ccccc1C(=O)O 96526464 NKGAUIKTEZYEOS-ZJUUUORDSA-N 220.268 2.810 0 40 BFAB c1n[nH]nc1SCCOC1CCCCCC1 97014321 ZHSJAAWEMVFZNV-UHFFFAOYSA-N 241.360 2.636 0 40 BFAB O[C@@H]1CCC[C@@H]1Nc1ccnc2ccccc12 97104641 VAGTXXWHWCUVPC-UONOGXRCSA-N 228.295 2.560 0 40 BFAB O=C(O)[C@@H]1[C@@H](c2ccccc2)[C@H]2C=C[C@H]1C2 100503074 PWQBPEKAJJSVFH-CYDGBPFRSA-N 214.264 2.677 0 40 BFAB Cc1cccc(-n2[nH]c(-c3ccco3)cc2=N)c1 102683489 LHUHMRPDINIYDV-UHFFFAOYSA-N 239.278 2.853 0 40 BFAB O=S1(=O)[C@H]2C=C(Cc3ccccc3)[C@H]1CCC2 103109216 FIEQUNLYMBGYDG-ZIAGYGMSSA-N 248.347 2.505 0 40 BFAB O=C1C[C@@H]2CCC[C@@](Br)(C1)C2 117304411 QPXRGUYAQFPXGX-CBAPKCEASA-N 217.106 2.673 0 40 BFAB O=C(c1ccc(Br)s1)C(F)F 118355992 IRDCOVMXJVRASP-UHFFFAOYSA-N 241.056 2.958 0 40 BFAB CN1CCCC[C@H]1CCSC[C@H]1CCCO1 252502378 UPIPIUJGWUTVCW-QWHCGFSZSA-N 243.416 2.773 0 40 BFAB CCCN(c1cccc(C)c1C)[C@H](C)C(=O)O 260677595 IYCGOKFLQFBPGI-GFCCVEGCSA-N 235.327 2.993 0 40 BFAB CC(=O)Oc1ccccc1C(=O)C1CCC1 309587706 WVAIWWBRJBXOEH-UHFFFAOYSA-N 218.252 2.595 0 40 BFAB COc1cccc2c1C(=O)c1ccccc1-2 1578008 ZLYUKFUCNSKIKR-UHFFFAOYSA-N 210.232 2.907 0 40 BFAB COc1ccc(CC[C@]2(C)OC[C@@H](C)O2)cc1 1666198 UOUFTMUYBCIYBY-BXUZGUMPSA-N 236.311 2.779 0 40 BFAB C[C@H](N)c1nc(-c2ccccc2)cs1 3708722 UYFMXZVUEUHZLJ-QMMMGPOBSA-N 204.298 2.830 0 40 BFAB O=C1O[C@H](c2ccccn2)Cc2ccccc21 3847758 NHTXGOSDERQSCI-ZDUSSCGKSA-N 225.247 2.536 0 40 BFAB biogenic C[C@H]1CCC[C@H](C)N1C[C@H](O)c1ccccc1 4683114 GIRIKTUDEYKNBW-YDHLFZDLSA-N 233.355 2.983 0 40 BFAB CCCSc1nnc2[nH]c3ccccc3n12 6503681 OEJBBWXWROEIEQ-UHFFFAOYSA-N 232.312 2.713 0 40 BFAB Cc1cc(Nc2ccc(C(=O)O)cc2)nc(C)n1 8702958 DNTSMZBHYGKWCO-UHFFFAOYSA-N 243.266 2.535 0 40 BFAB COc1cc(N)ccc1NC(=O)OC(C)(C)C 19414471 YUSDXMQVJPPUTH-UHFFFAOYSA-N 238.287 2.624 0 40 BFAB CCOC(=O)c1cc2c(Cl)nc(C)cc2[nH]1 19772545 LCSGMPHBDQEYAW-UHFFFAOYSA-N 238.674 2.701 0 40 BFAB in-vitro CC(C)c1ccc(-c2cc(CN)n[nH]2)cc1 20270437 CCINWWQXMKTALV-UHFFFAOYSA-N 215.300 2.659 0 40 BFAB Cc1ccc(NC(=O)c2ccccc2F)c(N)c1 20343172 SYWNKCZUUILJAB-UHFFFAOYSA-N 244.269 2.969 0 40 BFAB Cc1n[nH]c(=S)n1CCc1cccs1 20590624 UBMNZCVWJASSKA-UHFFFAOYSA-N 225.342 2.553 0 40 BFAB C[C@H]1C[C@H]1C(=O)NCc1ccc(Cl)s1 25521846 RTIWXPPOCRZDDI-POYBYMJQSA-N 229.732 2.674 0 40 BFAB Cc1ccc(-c2nc(C)c(C(=O)O)s2)o1 32627512 WQDZTKMQAIQREA-UHFFFAOYSA-N 223.253 2.718 0 40 BFAB in-vitro O=C(C1CCC1)N1CCC[C@H]1c1ccncc1 32902265 VTAWQMRTXSVVKF-ZDUSSCGKSA-N 230.311 2.545 0 40 BFAB CCCC[S@](=O)CCSc1ccccn1 35327301 VXRKPWUPIZRQPX-OAHLLOKOSA-N 243.397 2.723 0 40 BFAB c1ccc2nc(NC[C@H]3CCOC3)ccc2c1 37988127 NVMACIVGTPYXNM-LLVKDONJSA-N 228.295 2.683 0 40 BFAB c1ccc2c(NC3CC3)nc(NC3CC3)nc2c1 41149906 ADYBKAFNBOMYLV-UHFFFAOYSA-N 240.310 2.778 0 40 BFAB CC(C)N(C)c1ccc(Br)cn1 42376730 GSAXHILKQMXJCM-UHFFFAOYSA-N 229.121 2.689 0 40 BFAB in-vitro CCOC(=O)c1ccc(-c2cc(C)ccn2)o1 45028404 KHKSXBDQDXTIRM-UHFFFAOYSA-N 231.251 2.827 0 40 BFAB COc1ccccc1/C=C/C(=O)N[C@H](C)C(C)C 45520717 UQMKZAAYZYCKTA-BZYZDCJZSA-N 247.338 2.869 0 40 BFAB c1ccc(CN2CCNc3cccnc32)cc1 45795976 OELIHSDDDNXLGH-UHFFFAOYSA-N 225.295 2.514 0 40 BFAB CCN(Cc1cc(C)on1)C1CCCC1 47966701 FYXBYTRJJLOFTK-UHFFFAOYSA-N 208.305 2.748 0 40 BFAB O=c1[nH]ccc2ccn(Cc3ccccc3F)c12 57218680 ZIJSPBXTNIJWBN-UHFFFAOYSA-N 242.253 2.517 0 40 BFAB in-vitro CCN(C(=O)[C@H]1C[C@@H]1C)c1ccc(F)cc1 58324177 IVHZQQIIQOLEKG-CABZTGNLSA-N 221.275 2.835 0 40 BFAB C[C@@H](O)[C@H]1C[C@@H]1c1ccc(Br)cc1 62713987 WWMCQKXSZNIITD-AVPPRXQKSA-N 241.128 2.933 0 40 BFAB C[C@@H]1c2cccn2CCN1CCc1ccncc1 66864483 DZIWRHFJYFRZMS-CYBMUJFWSA-N 241.338 2.502 0 40 BFAB C[C@H]1CN(C(=O)C(C)(C)C)Cc2ccccc2O1 82353550 SMZRRRUDGDEHOE-NSHDSACASA-N 247.338 2.842 0 40 BFAB CSc1c(Br)cccc1C(=O)O 90413354 SRAJIAHCWLXQRA-UHFFFAOYSA-N 247.113 2.869 0 40 BFAB Oc1ccc2ccc(OC(F)F)nc2c1 91362295 YJPDZFAVWWBUSV-UHFFFAOYSA-N 211.167 2.542 0 40 BFAB Cc1cc(Sc2ccc(O)cc2)nnc1C 97097166 CARVILJFOCKXKR-UHFFFAOYSA-N 232.308 2.950 0 40 BFAB CCCNC(=O)N[C@@H](CC)c1ccccc1 136069117 VUQCBRFJXZZEFI-LBPRGKRZSA-N 220.316 2.847 0 40 BFAB CCOc1cccc([C@H](C)NCCCOC)c1 151664258 AEOYCOZRIZCYCB-LBPRGKRZSA-N 237.343 2.772 0 40 BFAB CCc1ncnc(N(C)C2CCCC2)c1F 179980047 ZAYLDLOINKRTFV-UHFFFAOYSA-N 223.295 2.557 0 40 BFAB CSc1c(Br)cccc1C=O 205877961 VBQNRJBVEBKGIQ-UHFFFAOYSA-N 231.114 2.984 0 40 BFAB CC[C@@H](C)n1c(C)nc2ccc(N)cc21 223767666 VUFGIRQNYSQGME-MRVPVSSYSA-N 203.289 2.898 0 40 BFAB CCOC(=N)c1ccc(F)cc1Br 228853856 YNZVITNIBQWDGX-UHFFFAOYSA-N 246.079 2.950 0 40 BFAB CCOC(=N)c1cccc(C(F)(F)F)c1N 228924093 FVVOZZUTJGEMBF-UHFFFAOYSA-N 232.205 2.649 0 40 BFAB O=C(O)c1cc(C2CC2)oc1C(F)(F)F 257197687 GLZRSCLRHJMGDN-UHFFFAOYSA-N 220.146 2.874 0 40 BFAB Cc1nc2c(o1)CCN(Cc1ccccc1)C2 328578413 KOMXAZILEDFMMD-UHFFFAOYSA-N 228.295 2.541 0 40 BFAB CCCOCc1ccnn1C1CCCC1 408717058 VJILOTWYIBQKTE-UHFFFAOYSA-N 208.305 2.925 0 40 BFAB Cc1cc(C)cc(NC(=O)CN2CCCCC2)c1 42122 PJQOZOZALUBWGS-UHFFFAOYSA-N 246.354 2.728 0 40 BFAB C[C@@H]1c2[nH]c3ccccc3c2C[C@H]1C(=O)O 1753214 PURWTPKEGVGRRB-IONNQARKSA-N 215.252 2.528 0 40 BFAB CC[C@@H](C)OC(=O)C(Cl)(Cl)Cl 1758788 CJTKROHEGUUXOZ-SCSAIBSYSA-N 219.495 2.698 0 40 BFAB Cc1cccc(C)c1OCC(=O)NCCC(C)C 2069604 MZYOKHBNGFPVER-UHFFFAOYSA-N 249.354 2.845 0 40 BFAB CCOC(=O)CCC(=O)c1ccccc1C 2378870 HPMTULZWQMOMPF-UHFFFAOYSA-N 220.268 2.521 0 40 BFAB CC(=O)Nc1ccccc1-c1ccco1 2525628 NGSQQYHPZBTUAB-UHFFFAOYSA-N 201.225 2.905 0 40 BFAB C[n+]1ccccc1/C=C/c1c(F)cccc1F 5002305 AGXUACHOUBZHFB-CMDGGOBGSA-N 232.253 2.960 0 40 BFAB COc1cc(C)c(NC(=O)[C@H]2C[C@H]2C)cc1OC 5616893 CAUMHHMSEMESFJ-SCZZXKLOSA-N 249.310 2.607 0 40 BFAB Cc1cccc2cc(CNC(C)(C)C)c(=O)[nH]c12 5818554 UPTIRDIZZDTZII-UHFFFAOYSA-N 244.338 2.725 0 40 BFAB Cc1ccc2nc(O)c(CNC(C)C)cc2c1 8579716 GKVAYIAPYDCATL-UHFFFAOYSA-N 230.311 2.747 0 40 BFAB CCC1CCC(NC(=O)c2ccccc2N)CC1 9236602 CYBTYBZKJORUFU-UHFFFAOYSA-N 246.354 2.967 0 40 BFAB Cc1cc(C)c2cc(C(=O)NC3CC3)[nH]c2c1 9577564 CJMGMGSXLGHEDP-UHFFFAOYSA-N 228.295 2.677 0 40 BFAB C[C@H](NC(=O)[C@H]1C[C@H]1C)c1cccc(F)c1 12905665 YCVOXSYSUKLHSK-PTRXPTGYSA-N 221.275 2.659 0 40 BFAB COc1cc2c(cc1C(=O)O)C=CC(C)(C)O2 14447798 WVJWSWIKHOYGHH-UHFFFAOYSA-N 234.251 2.578 0 40 BFAB biogenic,in-vitro O=C(NC1CC1)c1cc2c(s1)CCCC2 14796776 YEBYPMQZVHFPBH-UHFFFAOYSA-N 221.325 2.519 0 40 BFAB N=C1NC(=O)S/C1=C\c1cccs1 19358610 ZJJUMFGAKUTYST-XQRVVYSFSA-N 210.283 2.523 0 40 BFAB CCOC(=O)c1cc2ccc(C)cc2[nH]1 26894263 IRFTXLHJKQYOJB-UHFFFAOYSA-N 203.241 2.653 0 40 BFAB O[C@@H](c1ccccn1)c1ccc2ccccc2n1 27986652 FQHPPAIIRMKDHB-HNNXBMFYSA-N 236.274 2.712 0 40 BFAB CSCC(=O)N1CCCc2cccc(C)c21 32859893 QBLVWGHPSIGYBH-UHFFFAOYSA-N 235.352 2.637 0 40 BFAB O=C(NCc1ccc(Cl)cc1)C1CCC1 32975440 DHTXUANSKJTFGJ-UHFFFAOYSA-N 223.703 2.756 0 40 BFAB O=C(O)C1[C@@H]2CC[C@H]3[C@H](CC[C@@H]12)C3(Cl)Cl 33687886 KTMXBVDXHDBMDV-NGJRWZKOSA-N 249.137 2.927 0 40 BFAB Brc1cc(C2CCC2)ncn1 44118995 UNRFBJIDVXIJOL-UHFFFAOYSA-N 213.078 2.507 0 40 BFAB CCCCc1nc(Cl)c(/C=C/C(=O)O)[nH]1 44201256 HJYFJJNOICAVAG-AATRIKPKSA-N 228.679 2.504 0 40 BFAB CC(C)N1CC[C@H](Nc2nc3ccccc3o2)C1 49281849 HOZKGAFYRGACPE-NSHDSACASA-N 245.326 2.722 0 40 BFAB Cc1cc([C@@H](O)c2ccco2)ccc1F 55204609 JYDQEBHTXTWTPX-GFCCVEGCSA-N 206.216 2.809 0 40 BFAB CCCc1cc(C(=O)N2CCC[C@H](C)CC2)[nH]n1 58423859 LURFZKSMTYOUTN-NSHDSACASA-N 249.358 2.624 0 40 BFAB CCNC(=O)c1cc(C)nc2ccc(C)cc12 64553228 SRJGPMOCKVVAND-UHFFFAOYSA-N 228.295 2.601 0 40 BFAB Cc1cnccc1NC(=O)C1CCCCC1 69948013 LBYAOIUOCFUZME-UHFFFAOYSA-N 218.300 2.909 0 40 BFAB CCOC(=O)C[C@@H](NC)c1ccc(Cl)cc1 72210269 FFURIXAMZAMCQH-LLVKDONJSA-N 241.718 2.554 0 40 BFAB CCN1CCC[C@H]1c1cccnc1N1CCCC1 72215974 LHBBHPZCXGISLF-AWEZNQCLSA-N 245.370 2.839 0 40 BFAB Oc1ccc(-c2ccc3[nH]ncc3c2)cc1 76188754 VISXDGCPIXQQDN-UHFFFAOYSA-N 210.236 2.936 0 40 BFAB CC(C)c1ccc(Br)c(N)n1 82967933 QZVBSFSVQMUHKO-UHFFFAOYSA-N 215.094 2.550 0 40 BFAB COC(=O)CCCC(=O)c1cccc(Cl)c1 84922717 BPFSDENPYBLQLI-UHFFFAOYSA-N 240.686 2.866 0 40 BFAB O=C1CCC[C@@H]1c1ccc(Br)cn1 85400032 RUQHKPCOGQETJJ-MRVPVSSYSA-N 240.100 2.681 0 40 BFAB CCOC(=O)c1coc(-c2ccccc2F)n1 90470920 NGSHSERPKZUPFI-UHFFFAOYSA-N 235.214 2.657 0 40 BFAB CCOC(=O)c1c(C)[nH]c2ccc(C)cc12 94992683 DWKFJNJSZAGPRM-UHFFFAOYSA-N 217.268 2.961 0 40 BFAB CCCCOc1ccc(CCO)cc1F 95730395 KQBJONKBLYAIHD-UHFFFAOYSA-N 212.264 2.539 0 40 BFAB O=C(c1ccon1)N1CCC2(CCCCC2)CC1 95959468 CSOGATLWMWDNCC-UHFFFAOYSA-N 248.326 2.861 0 40 BFAB CC[C@H](COC)N[C@H]1CCc2c(OC)cccc21 95968266 JVZMQVUOHVXRGZ-RISCZKNCSA-N 249.354 2.697 0 40 BFAB C[C@H](O)CCN[C@H]1[C@@H]2CCCC[C@@H]2C1(C)C 95971790 CPDMXRYHHQKSLE-RNJOBUHISA-N 225.376 2.562 0 40 BFAB CC(C)CNc1cccc(C[S@](C)=O)c1 95981677 BIRIOTFJOMREPK-OAHLLOKOSA-N 225.357 2.633 0 40 BFAB CO[C@@H](C)c1cc(Cl)nc([C@@H](C)OC)n1 96529031 GYWBORBQMUDFPE-NKWVEPMBSA-N 230.695 2.545 0 40 BFAB O=C(OCCCC(F)(F)F)c1cccnc1 157789649 SDAOSMOEBHJELT-UHFFFAOYSA-N 233.189 2.581 0 40 BFAB CCCC(CCC)[S@@](=O)C[C@@H]1CCCO1 194541232 PQAMABRRCXTOEJ-NHYWBVRUSA-N 232.389 2.883 0 40 BFAB FC(F)(F)c1cccnc1O[C@H]1CCSC1 585654773 LOVOHTCXVPPQFF-ZETCQYMHSA-N 249.257 2.985 0 40 BFAB CCc1c(C)[nH]c2cccc(F)c2c1=O 685938428 MIMUDLNFQDEPJH-UHFFFAOYSA-N 205.232 2.538 0 40 BFAB FC(F)(F)c1cc(N2C3CCC2CC3)ncn1 1153607751 XNLAOXDBEAVTTD-UHFFFAOYSA-N 243.232 2.627 0 40 BFAB O=C(O)c1ccccc1NCc1ccco1 113222 CKOPWCOBXHDAOZ-UHFFFAOYSA-N 217.224 2.590 0 40 BFAB in-vitro Cc1nn(C)c(C)c1NC(=O)Nc1ccccc1 130252 SXMODAATGUJTRZ-UHFFFAOYSA-N 244.298 2.681 0 40 BFAB COc1ccc2c(Cl)ccnc2c1OC 1591527 CILQDBAXEWYDIH-UHFFFAOYSA-N 223.659 2.905 0 40 BFAB CCCCCC[C@H]1C/C(=C/N(C)C)C(=O)O1 1752902 RGMUXVLMWFRSEK-WEHUKYGOSA-N 225.332 2.718 0 40 BFAB C[C@@H](OC[C@@H]1CO1)c1ccc(Cl)cc1 3389630 JGGQRANUJHVHLH-LDYMZIIASA-N 212.676 2.816 0 40 BFAB in-vitro CC(C)C[C@@](O)(c1ccccc1)C(C)(C)O 5380702 IYLBVGRIPMUCRT-CQSZACIVSA-N 222.328 2.691 0 40 BFAB Cc1cnc2[nH]c(-c3ccccc3)cc(=O)c2c1 5503961 WCFSVUHOIXDGEW-UHFFFAOYSA-N 236.274 2.899 0 40 BFAB CC(=O)c1cc(Cl)c(O)cc1Cl 6262482 AVWWDJJLDZCSDE-UHFFFAOYSA-N 205.040 2.902 0 40 BFAB C[C@H](Oc1ccccc1F)c1nnc(S)o1 6651984 LINKAHPMWFUZGI-LURJTMIESA-N 240.259 2.637 0 40 BFAB CC(C)NC(=O)c1ccc(N2CCCCC2)cc1 7504972 BJNPNLUGLMCTIV-UHFFFAOYSA-N 246.354 2.815 0 40 BFAB CCC[C@@H](Nc1ccccc1C)C(=O)O 8702781 QVXIXURYTLRLGD-LLVKDONJSA-N 207.273 2.660 0 40 BFAB COc1ccc(C(=O)CNc2ccccc2)cc1 9261859 QAJUPCVQRTXTRF-UHFFFAOYSA-N 241.290 2.990 0 40 BFAB CC[C@@H](C)C(=O)Nc1ccc(OC)c(OC)c1 12737363 RAGSUDQNGGMNNM-SECBINFHSA-N 237.299 2.688 0 40 BFAB Cc1ccc(C(=O)NCCc2ccco2)c(C)c1 13012578 LTSQPHSHPZTNEG-UHFFFAOYSA-N 243.306 2.869 0 40 BFAB Cc1cccnc1NC(=O)c1ccccc1F 13208129 LWFCFKUOFMNSLG-UHFFFAOYSA-N 230.242 2.781 0 40 BFAB OC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 16158568 AUAIIBAFJHEYOJ-RFZPGFLSSA-N 236.155 2.888 0 40 BFAB CC[C@@H](C)CNCc1ccccc1OC 20087199 SICKYNGVKOGZED-LLVKDONJSA-N 207.317 2.831 0 40 BFAB COc1ccc(NC(=O)c2ccccc2)cc1N 20343109 SVZQSGDHCHQFEE-UHFFFAOYSA-N 242.278 2.530 0 40 BFAB COc1ccc([C@@H](C)C(=O)O)cc1Cl 36159100 DCMZYACXRFUQET-ZCFIWIBFSA-N 214.648 2.537 0 40 BFAB Cc1n[nH]cc1CN[C@@H](C)c1ccc(F)cc1 36901560 QUDPFSVGUYHNBN-VIFPVBQESA-N 233.290 2.708 0 40 BFAB Oc1noc2cc(Cl)c(Cl)cc12 38325340 IEAQWYJSDRWQBA-UHFFFAOYSA-N 204.012 2.840 0 40 BFAB in-vitro Brc1ncc(C2CC2)s1 44121818 BZBIQBNTBZVRNM-UHFFFAOYSA-N 204.092 2.783 0 40 BFAB in-vitro CC1CCN(c2cc(N)c(Cl)cc2N)CC1 45891231 NWNSHQAVNNVEFY-UHFFFAOYSA-N 239.750 2.741 0 40 BFAB CCN(CC)c1ccc([C@@H]2C[C@H]2[C@@H](C)N)cc1 62713806 PSLMPRXZPHIWIW-UGFHNGPFSA-N 232.371 2.984 0 40 BFAB CC(C)CN1c2ccccc2[C@@H](C(N)=O)C[C@H]1C 71811781 VTGDSTLWPQUNJA-YPMHNXCESA-N 246.354 2.510 0 40 BFAB C[C@H](CC(=O)Nc1ccccc1)[C@H]1CCCCN1 72208227 QELAURNVUVCCQN-TZMCWYRMSA-N 246.354 2.793 0 40 BFAB C[C@H](CC(=O)Nc1ccccc1)C1CCNCC1 72208259 NXTGPRVGXOWRSD-GFCCVEGCSA-N 246.354 2.651 0 40 BFAB CCSc1ncccc1[C@H]1CCCN1 72217164 VRTYOGJPNZEULD-SNVBAGLBSA-N 208.330 2.618 0 40 BFAB CNCc1cnc(OCc2ccccc2)cc1C 72223435 CIDAUZYBHFGNSC-UHFFFAOYSA-N 242.322 2.688 0 40 BFAB CCOc1cccc([C@](C)(O)C2CC2)c1 87334031 XBRLTESYVKYNFL-CYBMUJFWSA-N 206.285 2.703 0 40 BFAB CNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl 89385840 WIGOYGLWPDYVGT-BDAKNGLRSA-N 244.121 2.843 0 40 BFAB Oc1cccc2nc(OC(F)F)ccc12 91362291 JKLNEZHZMJUKMG-UHFFFAOYSA-N 211.167 2.542 0 40 BFAB COc1cc(F)c(Cl)cc1C(C)=O 95836907 NUKFZXCIMPRVGS-UHFFFAOYSA-N 202.612 2.690 0 40 BFAB Cc1cccc(-c2cc(=O)[nH]c(C3CC3)n2)c1 96530953 MBSVCBUXMHGXPH-UHFFFAOYSA-N 226.279 2.623 0 40 BFAB NN[C@@H](c1cccc(F)c1)c1ccccc1F 161793590 UJPSZVUYKDPVSE-ZDUSSCGKSA-N 234.249 2.518 0 40 BFAB Cc1cnc(NCc2cccc3cn[nH]c23)s1 195562407 JSVXDRCJBWBYJL-UHFFFAOYSA-N 244.323 2.940 0 40 BFAB NCc1c[nH]c2cc(F)c(Br)cc12 214415362 AEGYWWVSITWRKX-UHFFFAOYSA-N 243.079 2.528 0 40 BFAB CNc1ccc(N2CCCCC2)c(F)c1 220340738 KOSYPAIDDHUPRP-UHFFFAOYSA-N 208.280 2.858 0 40 BFAB CCc1ccc2nc(C)cc(NCCCN)c2c1 222686175 DOBAMLGEVKPAKC-UHFFFAOYSA-N 243.354 2.866 0 40 BFAB CCC[C@H](C)NC(=S)Nc1cc(C)ccn1 225202316 YRABPFCKVXGCRH-JTQLQIEISA-N 237.372 2.865 0 40 BFAB CCCCNCc1cnc2sc(C)cn12 256054303 VUWBETUWWXGLTK-UHFFFAOYSA-N 223.345 2.594 0 40 BFAB O=C(O)[C@H]1C[C@@H]1c1ccc(OCC(F)F)cc1 408716799 QZCCJFWZQBDFBW-ZJUUUORDSA-N 242.221 2.519 0 40 BFAB Nc1ccc2nc(-c3cccc(O)c3)[nH]c2c1 360578 ULADCLDYBHCFNQ-UHFFFAOYSA-N 225.251 2.518 0 40 BFAB Cc1ccc2oc(=O)n(CC(C)C)c2c1 610615 FXYUXWJZRUCEIO-UHFFFAOYSA-N 205.257 2.559 0 40 BFAB OCCCOc1ccc2ccccc2c1 1596313 JMIIDKDBGDGVJC-UHFFFAOYSA-N 202.253 2.601 0 40 BFAB COC(=O)Cc1csc2ccccc12 1675141 ODKSYEYDLVKYNI-UHFFFAOYSA-N 206.266 2.617 0 40 BFAB O=C1OC2(CCCC2)O[C@@H]1c1ccccc1 2044443 ULZDPROZYUPRIV-LLVKDONJSA-N 218.252 2.571 0 40 BFAB COc1cccc(C(=O)c2ccccc2)c1 2378495 VMFJVWPCRCAWBS-UHFFFAOYSA-N 212.248 2.926 0 40 BFAB in-vitro COc1ccccc1CCC(=O)C1CCC1 2516488 QCKBKAKGLRJRLJ-UHFFFAOYSA-N 218.296 2.997 0 40 BFAB CC(C)OC(=O)C[C@H](N)c1ccccc1Cl 4219114 ZVVXDKNOZWPPAM-NSHDSACASA-N 241.718 2.682 0 40 BFAB in-vitro CCC(=O)Nc1sc(C)c(C)c1C(=O)OC 5145511 RKYQLQRNUGPQGS-UHFFFAOYSA-N 241.312 2.500 0 40 BFAB CC[C@H](C)c1ccc(OC(C)=O)c(C(=O)O)c1 5468771 HLVOCQZXDFAPSJ-QMMMGPOBSA-N 236.267 2.824 0 40 BFAB OCCSCc1ccccc1Cl 5717301 FFELSGRWMDHTSN-UHFFFAOYSA-N 202.706 2.566 0 40 BFAB O=C(OCc1ccccc1F)c1cccnc1 8380266 YQTYHUDUWHVIFP-UHFFFAOYSA-N 231.226 2.578 0 40 BFAB CN1CCC[C@H]1/C=C/COc1ccccc1 13400879 QBONHOIDYXOWNK-CFNZNRNTSA-N 217.312 2.716 0 40 BFAB CCc1cc(C(=O)Nc2ccn(C)n2)sc1C 14899558 ZPPNDMZULMQOHN-UHFFFAOYSA-N 249.339 2.605 0 40 BFAB CC(C)[C@H](N)c1nc2ccccc2s1 19517931 NBWSEAMUWTUVJB-JTQLQIEISA-N 206.314 2.952 0 40 BFAB CC[C@H](Oc1cccc(C)c1C)C(=O)N(C)C 20490008 CVRWAQFHUCNFHP-LBPRGKRZSA-N 235.327 2.549 0 40 BFAB COc1ccc(C)cc1C(=O)Nc1cccnc1 27576626 AILLKONORUWASQ-UHFFFAOYSA-N 242.278 2.651 0 40 BFAB O=C1CCCC[C@H]1[C@H](O)c1ccc(F)cc1 28294559 DGXAHHNBPVFSJS-DGCLKSJQSA-N 222.259 2.618 0 40 BFAB CCOC(=O)C1=NC(C)=C(C(C)(C)C)[C@H]1C 31829367 AOYNSXFLMSAALP-MRVPVSSYSA-N 223.316 2.960 0 40 BFAB CC(C)(CO)c1ccc(Br)cc1 32015732 HHHZLLZSLJJFER-UHFFFAOYSA-N 229.117 2.719 0 40 BFAB in-vitro CC[C@@H]1CCCCN1CC[C@@H]1CCCNC1 42783371 GNOWGXOXOZXNID-UONOGXRCSA-N 224.392 2.641 0 40 BFAB Cc1cc(C(=O)NC[C@@H](C)c2ccccc2)no1 43700906 CGLKDCAKPXKWQC-SNVBAGLBSA-N 244.294 2.517 0 40 BFAB CN(Cc1ccco1)C(=O)C[C@@H]1C=CCC1 48251569 UCTZHXUDRJNBEZ-LLVKDONJSA-N 219.284 2.594 0 40 BFAB C[C@@H]1C[C@@H]1NC(=O)c1ncoc1-c1cccs1 69702376 PVYXXYHNJTZART-SFYZADRCSA-N 248.307 2.541 0 40 BFAB c1ccc2c(CCCNC3CC3)c[nH]c2c1 70631177 WWIIMGDPJXKSMS-UHFFFAOYSA-N 214.312 2.853 0 40 BFAB COc1ccc(CCC(=O)O)cc1C(F)(F)F 71867271 BZGRRQPEHHXJNW-UHFFFAOYSA-N 248.200 2.731 0 40 BFAB Oc1cccc(-c2cnc3n2CCCC3)c1 72220834 AMPNFPNETXAMLY-UHFFFAOYSA-N 214.268 2.592 0 40 BFAB Cc1cc(Nc2ccccc2)ncc1C=O 72223303 ZECNFHVNZMYGGP-UHFFFAOYSA-N 212.252 2.946 0 40 BFAB Cc1c[nH]nc1[C@H]1CCCN(C2CCCC2)C1 72356819 AXOBEEJBNLGDCZ-LBPRGKRZSA-N 233.359 2.840 0 40 BFAB Cc1cccc(NC(=O)C2CCN(C)CC2)c1C 74713323 IIPXVWMORNHACI-UHFFFAOYSA-N 246.354 2.584 0 40 BFAB CC1(OC(=O)c2ccc3c(c2)OCO3)CCC1 75109484 GXTXGKRGNJETQC-UHFFFAOYSA-N 234.251 2.515 0 40 BFAB O=C(O)c1nc(-c2cccc(F)c2)cs1 75852069 BPKUFKUYYAWBEM-UHFFFAOYSA-N 223.228 2.647 0 40 BFAB O=C(Nc1ccccc1F)[C@H]1CCCS1 82324141 WIVDTQFQQKNQRT-SNVBAGLBSA-N 225.288 2.660 0 40 BFAB C[C@@H]1Cc2ccccc2N1C(=O)c1cncs1 82337101 RAVKLLIXZAUFEM-SECBINFHSA-N 244.319 2.735 0 40 BFAB NCC1(c2cc(F)ccc2F)CCCC1 82595104 BVQMVRVRHIGBKJ-UHFFFAOYSA-N 211.255 2.735 0 40 BFAB c1ccc2c(OCC3CCNCC3)nccc2c1 82753396 RVDCNZZPUYVLHP-UHFFFAOYSA-N 242.322 2.613 0 40 BFAB CCSC[C@@H](C)N(C)Cc1ccco1 93739227 WZPKBWMUYLMRHA-SNVBAGLBSA-N 213.346 2.853 0 40 BFAB c1cc(N[C@@H]2CCOC2)cc(N2CCCCC2)c1 95971903 RBEPWEMNXGBQBI-CQSZACIVSA-N 246.354 2.878 0 40 BFAB CCCc1nnc(NCc2ccc(F)cc2)o1 95990046 BBSAQXJYXYDXNU-UHFFFAOYSA-N 235.262 2.773 0 40 BFAB Clc1nc2c(cc1Br)COCC2 96510594 CBMFPNAKSWGILO-UHFFFAOYSA-N 248.507 2.570 0 40 BFAB O=C(O)C12c3ccccc3[C@@H]3C1[C@@H]3c1ccccc12 100970677 FKSIIJYNCZTDFV-KWOWKCNFSA-N 248.281 2.882 0 40 BFAB CN(CC1CCCCC1)c1nc(N)cs1 110753859 UYCAZOOPQIWPIZ-UHFFFAOYSA-N 225.361 2.742 0 40 BFAB C[C@H](CCO)N[C@@H]1C[C@H](c2ccccc2)C1(C)C 123286545 FAYOMRJZIWWWRD-BPLDGKMQSA-N 247.382 2.929 0 40 BFAB Cc1ccc2cc(CCCC(=O)O)cnc2c1 214013565 WXLNLLXXOFSDRX-UHFFFAOYSA-N 229.279 2.951 0 40 BFAB Cc1cccc(Nc2nc(C)cc(C)n2)n1 238497833 WQOVDVMOPBVJTO-UHFFFAOYSA-N 214.272 2.540 0 40 BFAB CCN1[C@H](C)Cc2[nH]ccc2[C@H]1C(C)C 260825954 WRQVWPDZJOZRFL-ZWNOBZJWSA-N 206.333 2.978 0 40 BFAB CCCCC1CC(c2n[nH]cc2C(=O)O)C1 685937775 QLGPCJKZHDGHIO-UHFFFAOYSA-N 222.288 2.792 0 40 BFAB O=C(c1ccco1)c1coc2ccc(O)cc12 36643 BAJVTNDELBXKDE-UHFFFAOYSA-N 228.203 2.962 0 40 BFAB biogenic Fc1ccccc1/C=C/c1ccnnc1 1565696 VTISJDDEAHTGQV-AATRIKPKSA-N 200.216 2.786 0 40 BFAB C[C@@H]1CCO[C@@](C)(Cc2ccccc2)O1 1566548 TXFAVUPKTNYIEY-DGCLKSJQSA-N 206.285 2.771 0 40 BFAB COC(=O)Cc1cc(Cl)c2cc(C)ccc2n1 1701913 OXIDKEUTGLXOOF-UHFFFAOYSA-N 249.697 2.912 0 40 BFAB CCCN(CCC)C[C@@H](O)c1ccccc1 3312226 PFMMVNKSAHHLEK-CQSZACIVSA-N 221.344 2.842 0 40 BFAB NNc1ncnc2scc(-c3cccs3)c12 3335859 CQVXHINAFBAJIS-UHFFFAOYSA-N 248.336 2.705 0 40 BFAB Cc1cc(C=O)c(C)n1CCOc1ccccc1 4938413 LWLSRIBDEYWGJV-UHFFFAOYSA-N 243.306 2.996 0 40 BFAB O[C@@H](/C=C/c1ccccc1)c1cccnc1 5162281 VSRIZGGWJMIHIO-VFNNOXKTSA-N 211.264 2.828 0 40 BFAB C[C@@H](C(=O)Nc1ccccc1)N1CCC[C@@H](C)C1 7384196 XIYWYNJFUOXPPR-OLZOCXBDSA-N 246.354 2.746 0 40 BFAB CC(C)(CNc1cccc(Cl)c1)C(=O)O 8730704 GKODTHUDOINJSY-UHFFFAOYSA-N 227.691 2.863 0 40 BFAB C[C@H]1C[C@H](C)CN(Cc2ccc(C(=O)O)cc2)C1 8730776 UNFKFDPZANOSFJ-RYUDHWBXSA-N 247.338 2.863 0 40 BFAB Cc1nc2ccccc2n1C1C[C@@H]2CC[C@H](C1)N2 12359757 BJGOIXDGNKKASK-FUNVUKJBSA-N 241.338 2.800 0 40 BFAB O=c1cc(-c2ccccc2)nc2n1CCCCC2 16769091 IOMCXTDGCYHPCX-UHFFFAOYSA-N 240.306 2.637 0 40 BFAB C[C@@H]1CCCCN1c1ccc(F)cc1N 19868029 LVYNPHQIJBOKOQ-SECBINFHSA-N 208.280 2.787 0 40 BFAB C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](C)N1 19972704 WPILWEFRBGMVDD-RKDXNWHRSA-N 200.285 2.763 0 40 BFAB CN(c1ccccc1CN)C1CCCCC1 20075609 YWSIVBBGUDOXHB-UHFFFAOYSA-N 218.344 2.914 0 40 BFAB Cc1c(NCc2cccc(F)c2F)cnn1C 20350395 QVRZQMDYEUNNKP-UHFFFAOYSA-N 237.253 2.619 0 40 BFAB CCC[C@H](C)NC(=O)c1ccc(F)c(F)c1 28210441 MKERAJNFGGXFCG-QMMMGPOBSA-N 227.254 2.883 0 40 BFAB O=C(/C=C/c1ccncc1)Nc1ccccc1F 29107802 ANBTYURNPDHLNM-AATRIKPKSA-N 242.253 2.873 0 40 BFAB Cc1ccc([C@@H](O)c2ccncc2)cc1C 31773366 AYUKCBQGSQHISM-AWEZNQCLSA-N 213.280 2.780 0 40 BFAB Cc1occc1C(=O)NC(C1CC1)C1CC1 32904234 PZAGEBMCAHANDZ-UHFFFAOYSA-N 219.284 2.506 0 40 BFAB c1cncc(-c2nc(C3CCCCC3)n[nH]2)c1 33435932 CKSUQPRNBBIFGA-UHFFFAOYSA-N 228.299 2.914 0 40 BFAB in-vitro CCCCC[C@H](C)N[C@@H](C)Cn1cccn1 37154487 BAWSJWCOJQCLGU-STQMWFEESA-N 223.364 2.830 0 40 BFAB Cc1n[nH]cc1CNCC(C)(C)c1ccccc1 37934913 HBUBFFOMVYWPCP-UHFFFAOYSA-N 243.354 2.786 0 40 BFAB CCn1c(C)cc(=O)c2cccc(Cl)c21 40164104 DZJPUDGMYGRYGQ-UHFFFAOYSA-N 221.687 2.983 0 40 BFAB O=C(C1CCC1)N1CCC[C@@H](C(F)(F)F)C1 40462019 DHKLTQFWDJEOMD-SECBINFHSA-N 235.249 2.587 0 40 BFAB C[C@@H]1CCCC[C@H]1NC(=O)Nc1ccccn1 43046649 RUGIGKJIFDGPIU-GHMZBOCLSA-N 233.315 2.782 0 40 BFAB O[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F 43367893 ILFVFWICBHRJEG-ZETCQYMHSA-N 242.143 2.884 0 40 BFAB CC(C)c1ccccc1O[C@H](C)C(=O)N(C)C 44840637 LRQRBULEDFCTIZ-LLVKDONJSA-N 235.327 2.666 0 40 BFAB Cc1oc(-c2cccs2)nc1C(=O)NC1CC1 46571652 LOYPWSDZEHFTGD-UHFFFAOYSA-N 248.307 2.604 0 40 BFAB Cc1ccc(CNC(=O)CC(F)(F)F)s1 49072563 UXBOOPDCFBHTCM-UHFFFAOYSA-N 237.246 2.625 0 40 BFAB CCNC(=O)N1CCC[C@@H]1c1cccc(F)c1 49241800 DHFWDKCXVISMBJ-GFCCVEGCSA-N 236.290 2.692 0 40 BFAB Cc1coc2nc(Cl)nc(Cl)c12 71791837 OCTXLKXOUFKWPY-UHFFFAOYSA-N 203.028 2.838 0 40 BFAB c1cc(NC2CC2)ncc1C1=NCCCC1 72213789 XMBXKVQNOLKKFD-UHFFFAOYSA-N 215.300 2.629 0 40 BFAB c1cc(N2CCCC2)ncc1C1=NCCCC1 72215933 CKAMYTBLKMCKEP-UHFFFAOYSA-N 229.327 2.655 0 40 BFAB CCN1CCCC[C@H]1c1ccc(O)nc1C 72218217 BBDDJGVVYGISLQ-LBPRGKRZSA-N 220.316 2.643 0 40 BFAB CC(=O)N1CCC[C@H]1c1c[nH]c(=S)cc1C 72218313 KEAIMMYMLOSKJF-NSHDSACASA-N 236.340 2.736 0 40 BFAB CCCC(=O)N1c2ccccc2NC(=O)C[C@H]1C 72679628 XCIKUURMGMXBNJ-SNVBAGLBSA-N 246.310 2.550 0 40 BFAB CCOC(=O)/C=C/c1cc(C)ccc1OC 73928084 HPUXUPRHTNBDSE-SOFGYWHQSA-N 220.268 2.580 0 40 BFAB C=Cc1cccc(OC(=O)N(C)CC)c1 77292384 NARZULAZYYDYNA-UHFFFAOYSA-N 205.257 2.780 0 40 BFAB in-vitro CCCCc1cc(NC(=O)c2cc(C)on2)on1 81760403 ADYOREUWKFFZMB-UHFFFAOYSA-N 249.270 2.566 0 40 BFAB Oc1cc(-c2ccc(Br)cc2)on1 83134598 UOFDGMMPCMDDNR-UHFFFAOYSA-N 240.056 2.810 0 40 BFAB CC1CCC(CN2CCCC[C@@H]2CN)CC1 84339659 VLWILGZTDXKIJV-JXQTWKCFSA-N 224.392 2.626 0 40 BFAB CCC(=O)NC[C@@H](CC)Oc1cccc(F)c1 84561096 DWEZQALHFLMFMA-LLVKDONJSA-N 239.290 2.509 0 40 BFAB C[C@H]1CC[C@H]1COc1ccccc1C(=O)O 96526466 NKGAUIKTEZYEOS-UWVGGRQHSA-N 220.268 2.810 0 40 BFAB CO[C@H](C)c1nc(N)cc(C2CCCCC2)n1 96529220 WNBAEHXKCHIIBF-SECBINFHSA-N 235.331 2.814 0 40 BFAB CC(C)(C)OC(=O)NC(C)(C)c1ccccn1 115259471 LVIGJOXYEICCNI-UHFFFAOYSA-N 236.315 2.841 0 40 BFAB O=C(Nc1nccs1)C1CCC(F)(F)CC1 125624228 FQFXIDZHVRARJQ-UHFFFAOYSA-N 246.282 2.907 0 40 BFAB O=Cc1ccc(Cl)c(Br)c1O 199137384 IESXXBIVEXVFRF-UHFFFAOYSA-N 235.464 2.621 0 40 BFAB CCCC[C@H](CN)c1ccc(OC)c(OC)c1 212515034 GXNZEHKRZYRKSA-GFCCVEGCSA-N 237.343 2.936 0 40 BFAB Cc1ccc2cc(-c3cc(N)n[nH]3)ccc2n1 219942840 FTWHPJKZZWXWEC-UHFFFAOYSA-N 224.267 2.516 0 40 BFAB CC[C@H](C)n1cnc2cc(C)c(N)cc21 223768906 LDRSASRGTRJDLY-VIFPVBQESA-N 203.289 2.898 0 40 BFAB CCCO[C@@H](Cc1cccc(C)c1C)C(=O)O 225024271 NWPCVBHMPFOPIE-ZDUSSCGKSA-N 236.311 2.726 0 40 BFAB Cc1nc(C(C)C)ncc1C(=O)NCCC(C)C 225791426 LRTWUFWOPAVGIN-UHFFFAOYSA-N 249.358 2.684 0 40 BFAB C[C@@](O)(c1cnccc1Cl)C(F)(F)F 256054785 XTRIPKOKHKELCS-SSDOTTSWSA-N 225.597 2.505 0 40 BFAB CCOCc1nn(CC(C)C)cc1Cl 408715394 LZOGSDQOWYFJST-UHFFFAOYSA-N 216.712 2.729 0 40 BFAB O=C(Nc1ccc(Cl)cc1)c1ccno1 121732 VZHVERZVSHCFNW-UHFFFAOYSA-N 222.631 2.580 0 40 BFAB Cc1ccc(Oc2cc(Cl)nc(N)n2)cc1 194205 RJYGRPLECYSURD-UHFFFAOYSA-N 235.674 2.813 0 40 BFAB Cc1[nH]c(-c2ccccc2)cc1C(=O)O 1577303 XDXKXRVCTYULQN-UHFFFAOYSA-N 201.225 2.688 0 40 BFAB CN1c2ccccc2S[C@@]1(C)CCC(=O)O 1610006 NJTIUUMAFZBKOZ-LBPRGKRZSA-N 237.324 2.810 0 40 BFAB CCOC(=O)c1c(C(C)(C)C)c[nH]c1C 1621893 MOVQLMIATIHTJD-UHFFFAOYSA-N 209.289 2.797 0 40 BFAB Cc1ccc(O[C@@H](C)C(=O)N2CCCCC2)cc1 2759874 CCGSLGGHRAUPRF-ZDUSSCGKSA-N 247.338 2.775 0 40 BFAB Nc1nnc(-c2ccc(C(F)(F)F)cc2)s1 5066521 IKOYAQXGLSFYSH-UHFFFAOYSA-N 245.229 2.806 0 40 BFAB in-vitro CCCCCCC(=O)N1C[C@@H](C)O[C@H](C)C1 5217437 KOIDGWWDCSYRGH-VXGBXAGGSA-N 227.348 2.593 0 40 BFAB CC(C)(N)Cc1cccc(C(F)(F)F)c1 5357261 CUEVAAQJHCRHJI-UHFFFAOYSA-N 217.234 2.985 0 40 BFAB C[C@]1(c2ccccc2)CC[C@H](O)C[C@@H]1CC(=O)O 5495704 AYPMWMZTVODKNC-VNHYZAJKSA-N 248.322 2.580 0 40 BFAB CC(C)NC(=O)CCc1nc2ccccc2s1 5978539 CGVSJYXEICQEDP-UHFFFAOYSA-N 248.351 2.754 0 40 BFAB Cc1cccc(C(=O)N[C@H](C)c2ccncc2)c1 6125276 OWMLHVKNNICWGS-GFCCVEGCSA-N 240.306 2.881 0 40 BFAB O=C([C@@H]1Cc2ccccc2S1)N1CCCCC1 12973152 BDTFEBBXAVJGIZ-ZDUSSCGKSA-N 247.363 2.716 0 40 BFAB CCCCNC(=O)COc1c(C)cccc1C 14795886 SVZFPRFNQKUOKB-UHFFFAOYSA-N 235.327 2.599 0 40 BFAB Cc1cccn2c(=O)c(-c3ccccc3)cnc12 20096670 VZAMRDJRQNUTKF-UHFFFAOYSA-N 236.274 2.670 0 40 BFAB C[C@@H](N)CCc1ccc(OC(F)F)cc1 22178019 WIPYLPMYVGMHHX-MRVPVSSYSA-N 215.243 2.568 0 40 BFAB O=C(/C=C/c1ccccc1)N1CCSC1=S 26476431 ICWILMQOCSTVLI-VOTSOKGWSA-N 249.360 2.560 0 40 BFAB O=C1CCCC[C@H]1[C@@H](O)c1ccc(F)cc1 28294561 DGXAHHNBPVFSJS-YPMHNXCESA-N 222.259 2.618 0 40 BFAB C[C@H]1Cc2cc(C(=O)C(F)(F)F)ccc2N1 31947648 WCGRTGORJHCWTQ-LURJTMIESA-N 229.201 2.788 0 40 BFAB Cn1cc(C(=O)O)c(-c2ccc(Cl)s2)n1 35286328 NUDRZQBFENPWHP-UHFFFAOYSA-N 242.687 2.500 0 40 BFAB in-vitro c1ccc2oc(CNC3CCCC3)nc2c1 37390505 NSGIOMUKRFFGOU-UHFFFAOYSA-N 216.284 2.860 0 40 BFAB Cc1ccc([C@@H](O)c2ccc(F)c(F)c2)o1 40254705 DSHDTMHXOMDWKB-LBPRGKRZSA-N 224.206 2.948 0 40 BFAB C[C@H](Cc1ccco1)NC(=O)Cc1cccs1 40510253 UKFURQHTLGVGCJ-SNVBAGLBSA-N 249.335 2.631 0 40 BFAB CCOC(CCCO[C@@H]1CCCCO1)OCC 43503344 FSLSQNVTSZWCPW-CYBMUJFWSA-N 246.347 2.709 0 40 BFAB Cc1noc(CSc2nc3ccccc3o2)n1 44895713 XWOBORQZDPUOME-UHFFFAOYSA-N 247.279 2.812 0 40 BFAB Cc1cc(CN(C)C(=O)C2CCCCC2)no1 46059814 LJVKOSAVDSFMMG-UHFFFAOYSA-N 236.315 2.522 0 40 BFAB C[C@H](CNC1CCCCC1)C(=O)OC(C)(C)C 47219029 UERQUXACXUAILL-LLVKDONJSA-N 241.375 2.887 0 40 BFAB Cc1ccc(NC(=O)[C@H]2C[C@H]2c2ccco2)nc1 49376565 UOVCFOVTDOHRQN-MNOVXSKESA-N 242.278 2.725 0 40 BFAB Cc1ccc(CNCC2CCOCC2)s1 51924466 WDCGBQCTLLICAS-UHFFFAOYSA-N 225.357 2.573 0 40 BFAB Cc1nn(Cc2ccccc2)c(C)c1[C@H](C)O 54723093 OBMXQGGNQXIKRH-LBPRGKRZSA-N 230.311 2.602 0 40 BFAB CC[C@](C)(O)c1cc(Cl)ccc1OC 55191822 RZCJKRMWNWPUCZ-NSHDSACASA-N 214.692 2.966 0 40 BFAB C[C@H]1C[C@@H]1C(=O)NCCC1=CCCCC1 57287873 LEASRAUSZBWTPU-JQWIXIFHSA-N 207.317 2.649 0 40 BFAB CN(CCc1ccncc1)Cc1ccsc1 61171230 SFLKQZAZJFZIFR-UHFFFAOYSA-N 232.352 2.818 0 40 BFAB Cc1nc(Cl)cc(N(C)CC2CCC2)n1 61486841 YECJUFXWMAPUPQ-UHFFFAOYSA-N 225.723 2.675 0 40 BFAB CCCC(C)(C)NC(=O)c1cc(C2CC2)[nH]n1 65403052 LTORWWAYTJYNQK-UHFFFAOYSA-N 235.331 2.596 0 40 BFAB CC(C)N1CC[C@H](Cc2cnc3[nH]ccc3c2)C1 72367729 QZYUWMCAIAMUFE-GFCCVEGCSA-N 243.354 2.836 0 40 BFAB c1ccc(-c2cnc([C@H]3CCCNC3)cn2)cc1 72384527 GNQWGPSIVKZFQC-ZDUSSCGKSA-N 239.322 2.611 0 40 BFAB CCC(CC)CNCc1ccc(N(C)C)nc1 75572427 KSZWEHGRCGSMQB-UHFFFAOYSA-N 235.375 2.673 0 40 BFAB OC1(CNc2nc3ccccc3s2)CCC1 78601579 FWYLWRAAWFZJHM-UHFFFAOYSA-N 234.324 2.623 0 40 BFAB CC(C)(C)C1CCC(N2CC(C(=O)O)C2)CC1 86810958 XIDLRXLPUWSSCQ-UHFFFAOYSA-N 239.359 2.608 0 40 BFAB CCCCCOc1ccc(CCO)cc1F 95739543 AVKILQJIBUVNIB-UHFFFAOYSA-N 226.291 2.930 0 40 BFAB CCOC(=O)c1cc(-c2ccccc2F)on1 95949842 SHERLKSMCKYROV-UHFFFAOYSA-N 235.214 2.657 0 40 BFAB C[C@@]12C[C@]3(Br)C(=O)[C@]1(C)CC[C@H]23 100384358 MZUHKKJTABCVFS-DOWZNPNQSA-N 229.117 2.529 0 40 BFAB CCCc1cc(C(F)(F)F)ncc1C(=O)O 199563378 HHAZAXUCFXMMPY-UHFFFAOYSA-N 233.189 2.751 0 40 BFAB CC(C)(C)OC(=O)N(C=O)Cc1ccccc1 199828915 KVSDBXRMJMYSEL-UHFFFAOYSA-N 235.283 2.580 0 40 BFAB COC(=O)c1ccc(Oc2cccc(N)c2)cc1 222665682 HAYYFBXPFFDDLS-UHFFFAOYSA-N 243.262 2.848 0 40 BFAB CCn1cc(Br)c(C2CC2)n1 238314056 SJCCTJXEPINXCI-UHFFFAOYSA-N 215.094 2.543 0 40 BFAB CCCCn1ncc2ccc(C=O)cc21 242728143 YVBBJNADYIXGOH-UHFFFAOYSA-N 202.257 2.649 0 40 BFAB c1cc(CC2C[C@@H]3CC[C@H](C2)N3)c2cc[nH]c2n1 257197700 GOTLVBJMOCMXRB-VGPLMAKISA-N 241.338 2.636 0 40 BFAB CC[C@H](C)C(=O)c1ccc2c(c1)OCO2 394779111 KQJFBPHMGYPFGE-QMMMGPOBSA-N 206.241 2.644 0 40 BFAB F[C@H]1[C@H]2CC[C@H]1N(Cc1ccccc1)C2 710673606 RVLDFESOLZWXFH-XQQFMLRXSA-N 205.276 2.619 0 40 BFAB CCOC(=O)c1cc(-c2ccc(C)cc2)no1 266303 QVTSWNIDYMQSIJ-UHFFFAOYSA-N 231.251 2.827 0 40 BFAB Cc1ccc(C(=O)N2CCCC2)c(C)c1 514591 SJTXPWZNRVJPFA-UHFFFAOYSA-N 203.285 2.539 0 40 BFAB Cc1ccc(Nc2ncnc3n[nH]cc23)c(C)c1 1255504 MOJIAGWJPIRXIP-UHFFFAOYSA-N 239.282 2.713 0 40 BFAB c1ccc(C2=N[C@@H]3CCCC[C@@H]3O2)cc1 1612402 IIERPKDURDRYMZ-NEPJUHHUSA-N 201.269 2.775 0 40 BFAB CC1(C)Cc2ccccc2[C@](C)(Cl)C(=O)N1 1638184 LFFIVZOKZLZXCX-ZDUSSCGKSA-N 237.730 2.592 0 40 BFAB CCCC(=O)CCCCNC(=O)c1ccccc1 1731043 WRKBEIBTSKUJCO-UHFFFAOYSA-N 247.338 2.956 0 40 BFAB COc1ccc(C[C@H]2CCCC(=O)C2)cc1 2514129 HRUCIIVYHABPSG-GFCCVEGCSA-N 218.296 2.997 0 40 BFAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NC(C)C)c1 2773810 QTEHVDGLFXCHPH-ZDUSSCGKSA-N 249.354 2.904 0 40 BFAB CCc1cccc2sc(NC(C)=O)nc12 4348265 XDFWOEXPQVZJEF-UHFFFAOYSA-N 220.297 2.817 0 40 BFAB O=c1[nH]c(-c2cccs2)nc2ccccc12 5075192 SVVNZCGMBNAQFW-UHFFFAOYSA-N 228.276 2.652 0 40 BFAB in-vitro Brc1cccc(-c2cnc[nH]2)c1 5117129 IOVSUHJPAAEIGB-UHFFFAOYSA-N 223.073 2.839 0 40 BFAB CC1CCN(Cc2ccc(C=O)cc2)CC1 15014311 GMWDFCXYQIXWCS-UHFFFAOYSA-N 217.312 2.731 0 40 BFAB COc1ccccc1[C@H](N)c1cccs1 19842070 BZTYQIJZTUNAKS-LBPRGKRZSA-N 219.309 2.805 0 40 BFAB CN(C)C(=O)c1cccnc1Oc1ccccc1 20031159 BEYVITIJNXTPLF-UHFFFAOYSA-N 242.278 2.576 0 40 BFAB CCN(CCC(=O)O)c1ccccc1Cl 20133824 FVVNAXAIZVIDLH-UHFFFAOYSA-N 227.691 2.641 0 40 BFAB CCC(=O)CC(=O)c1cccc(Cl)c1 20375917 LCWNKNHNNUOMAN-UHFFFAOYSA-N 210.660 2.892 0 40 BFAB C[C@@H](NC(=O)[C@H]1CC=CCC1)c1ccncc1 27404764 CYVWBWVMEAOWFF-YPMHNXCESA-N 230.311 2.615 0 40 BFAB CCCc1cc(C(=O)Nc2ccc(F)cc2)[nH]n1 29508164 GKTSCSUAHQTROO-UHFFFAOYSA-N 247.273 2.754 0 40 BFAB c1ccc([C@H]2OCCNCc3ccccc32)cc1 32221121 ZMOHJRCONJZNKH-MRXNPFEDSA-N 239.318 2.896 0 40 BFAB Oc1ccc(Sc2ccncc2)cc1 34463026 LDMGNZJMTUYLQH-UHFFFAOYSA-N 203.266 2.938 0 40 BFAB in-vitro CCCCCC[C@H](C)N1CCCNCC1 38086812 XXPQOQOJALPXKR-ZDUSSCGKSA-N 212.381 2.641 0 40 BFAB O[C@H](c1ccoc1)c1ccc(F)c(F)c1 40254693 CUAWIWJZOKNUOZ-NSHDSACASA-N 210.179 2.640 0 40 BFAB C[C@@H](Cc1ccco1)NC(=O)c1cccs1 42381748 JOTZZRNPPVMUSY-VIFPVBQESA-N 235.308 2.702 0 40 BFAB CC(C)[C@@H](C)N(C)Cc1nnc(-c2ccco2)o1 44917964 OUPOPPYQEAPLFW-SNVBAGLBSA-N 249.314 2.806 0 40 BFAB O=Cc1cc(F)cc(-c2cccnc2)c1 47212873 ZUDUAFGJJMWARN-UHFFFAOYSA-N 201.200 2.700 0 40 BFAB COc1c(Cl)cc(C(C)C)cc1C(N)=O 57339193 SPAWEKSHVCMXIB-UHFFFAOYSA-N 227.691 2.571 0 40 BFAB NC(=O)c1ccnc(NC2CCCCCCC2)c1 64337475 ZBEASXKNKPPXDM-UHFFFAOYSA-N 247.342 2.705 0 40 BFAB Cc1cc([C@H]2CCCCN2C=O)c[nH]c1=S 72218293 GBHDLYKWGLXKER-LLVKDONJSA-N 236.340 2.736 0 40 BFAB Cc1nc(-c2ccc3c(c2)CNCC3)cs1 72226552 DIQHYRHJHDLRJV-UHFFFAOYSA-N 230.336 2.764 0 40 BFAB Cc1ccc([C@H]2CCCN(C(=O)C(C)C)C2)nc1 72361235 RCVXLBXACTXFDH-ZDUSSCGKSA-N 246.354 2.752 0 40 BFAB Cc1noc(C)c1NC(=O)c1ccccc1 84025574 NANAXVHFHCDKSQ-UHFFFAOYSA-N 216.240 2.544 0 40 BFAB Cc1ccc(-c2n[nH]c(C(=O)O)c2Cl)cc1 84534821 SZOJKDNSKVKTLT-UHFFFAOYSA-N 236.658 2.737 0 40 BFAB COC(=O)c1cc(Br)c(C)s1 85393188 HTUJLTFSPCLOCX-UHFFFAOYSA-N 235.102 2.606 0 40 BFAB O=C(c1cccc2cnccc12)C1CCOCC1 87810830 HLSDEJCSFBAHFQ-UHFFFAOYSA-N 241.290 2.844 0 40 BFAB Nc1cc(-c2ccc(C(F)(F)F)cc2)ncn1 88676172 ZBOINQYYSWSJAA-UHFFFAOYSA-N 239.200 2.745 0 40 BFAB Cc1ccc([C@H](O)CCC2OCCCO2)s1 95728564 OSDRDNDCHLOAEQ-SNVBAGLBSA-N 242.340 2.633 0 40 BFAB Cc1ccc(C2(O)C3[C@H]4C5CC6[C@H]4C2[C@H]6[C@@H]53)cc1 103946652 WHYBBQKFUVQAIC-SWPFNCEQSA-N 238.330 2.570 0 40 BFAB COCCCSCc1ccc(C)nc1C 195571504 FVJBDDZRPDNFCF-UHFFFAOYSA-N 225.357 2.968 0 40 BFAB CC(C)(O)c1ccc(Br)c(F)c1 216750226 ZBKKYLXFHRTDOH-UHFFFAOYSA-N 233.080 2.816 0 40 BFAB CCCCn1cccc1CN1CCCC1 225309055 KNALYNHZFDXEAQ-UHFFFAOYSA-N 206.333 2.884 0 40 BFAB C[C@@H]1CCOCCN1Cc1cc(F)cc(F)c1 225463957 XCEQOZYSWBQEOH-SNVBAGLBSA-N 241.281 2.576 0 40 BFAB CO/C=C1/CCN(C(=O)OC(C)(C)C)C[C@H]1C 307268150 LQWFYZGIHWQGMN-QLWWJYNRSA-N 241.331 2.794 0 40 BFAB CN(CC1(O)CCC1)c1ccc2ccccc2n1 390834353 WYMILAHOFLHHNJ-UHFFFAOYSA-N 242.322 2.586 0 40 BFAB O=C(O)[C@@H]1C[C@H]1c1ccc(OCC(F)F)cc1 408716798 QZCCJFWZQBDFBW-VHSXEESVSA-N 242.221 2.519 0 40 BFAB C[C@H](Cc1ccccn1)NCc1ccccc1 521396780 SJAZEYXOFWBQNI-CYBMUJFWSA-N 226.323 2.802 0 40 BFAB Cc1ccc2c(C(=O)O)c(OC3CC3)cnc2c1 685937673 WZZVHGRLRVWCGT-UHFFFAOYSA-N 243.262 2.783 0 40 BFAB Cc1c(C(C)C)[nH]c2ccc(O)cc2c1=O 685938368 JXRINCIBYNFKOA-UHFFFAOYSA-N 217.268 2.666 0 40 BFAB CC(C)[C@H](N)C(=O)Nc1ccc2ccccc2c1 32354 OBGGZBHESVNMSA-AWEZNQCLSA-N 242.322 2.762 0 40 BFAB in-vitro Cc1cc(NC(=O)Nc2cccc(F)c2)no1 287231 SOJVYPMERXDAED-UHFFFAOYSA-N 235.218 2.766 0 40 BFAB Cc1cc(C)cc([C@@H](O)c2ccccn2)c1 971661 KHYPHHBGFCQXFI-CQSZACIVSA-N 213.280 2.780 0 40 BFAB CCOC(C)(CCCN(CC)CC)OCC 2583410 IUJCCJNKFNXYFK-UHFFFAOYSA-N 231.380 2.898 0 40 BFAB c1csc(-c2nnn(CC3CCCCC3)n2)c1 6589147 ZTHKRIRYRALGDE-UHFFFAOYSA-N 248.355 2.982 0 40 BFAB CCC(C)(C)C(=O)Nc1ccc(N)cc1OC 8703540 NWRMAYAFQPVBOJ-UHFFFAOYSA-N 236.315 2.652 0 40 BFAB CC(C)(C)c1ccc(-c2cn[nH]n2)cc1 16323276 HCPGRSAFALNYRD-UHFFFAOYSA-N 201.273 2.769 0 40 BFAB NC[C@H](c1cccs1)N1CCCCCC1 19201142 HFJGSTGLKXVXAC-LLVKDONJSA-N 224.373 2.624 0 40 BFAB CC[C@H](C)NC(=O)N[C@H](C)c1ccccc1 20573000 IHVHLHIGUVSVPV-WDEREUQCSA-N 220.316 2.845 0 40 BFAB O=C(O)c1cc(Oc2ccccc2)ccc1O 20593688 YBZCZJNOZGZSFX-UHFFFAOYSA-N 230.219 2.883 0 40 BFAB in-vitro CCCNCc1ccccc1OCCC 20924432 IBODSAIOXBQREF-UHFFFAOYSA-N 207.317 2.975 0 40 BFAB CCc1cc(Cl)nc(N2CCC[C@H](C)C2)n1 22073612 YIGJBYOBWUMDLI-VIFPVBQESA-N 239.750 2.929 0 40 BFAB C(=C/c1c[nH]c2ccccc12)\CN1CCOCC1 22508438 BLQYVVRJGWUERJ-ONEGZZNKSA-N 242.322 2.513 0 40 BFAB Cc1cccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)n1 32909083 WGUFALSKPWOLCP-GHMZBOCLSA-N 232.327 2.508 0 40 BFAB Cc1cc(NCc2ccccc2)n2ncnc2c1 35047898 SJOSHMUMHSVQRG-UHFFFAOYSA-N 238.294 2.650 0 40 BFAB COCCNCc1cc(Cl)cc(Cl)c1 37423280 SIVBZKCARJUYNH-UHFFFAOYSA-N 234.126 2.729 0 40 BFAB CCN(CC)Cc1cc(-c2ccco2)on1 52867976 SZTSAUJRWMEUCS-UHFFFAOYSA-N 220.272 2.776 0 40 BFAB CCn1c([C@@H](C)O)nc2cccc(Cl)c21 62365848 LEEGJGYESQYCKX-SSDOTTSWSA-N 224.691 2.763 0 40 BFAB CCCC[C@H]1CCC[C@@H]1NC(=O)NCC 69721580 WGMJPGNUFBEONY-QWRGUYRKSA-N 212.337 2.664 0 40 BFAB CCCc1onc(-c2ccccc2)c1C(=O)O 70426766 MMHXBRFHUSOOPE-UHFFFAOYSA-N 231.251 2.992 0 40 BFAB Cc1cc(C)n(-c2ccc(Cl)nc2)n1 71790448 PPJSYJLCCJUUOH-UHFFFAOYSA-N 207.664 2.538 0 40 BFAB in-vitro CCC(C)(CC)NC(=O)c1ccc2c(c1)CCO2 71903645 JYPASTDALPUWPQ-UHFFFAOYSA-N 247.338 2.930 0 40 BFAB CC(C)(C)c1cc(C2(CN)CCCC2)no1 72220686 LWEPQFQBFGZAKX-UHFFFAOYSA-N 222.332 2.743 0 40 BFAB Cc1ccc(C)c(NC(=O)C2CCN(C)CC2)c1 74713316 ORUQVYITLAHHMT-UHFFFAOYSA-N 246.354 2.584 0 40 BFAB Cc1ccc(-c2nc(-c3cnn(C)c3)no2)s1 78774341 KUATVWLKBSZYQF-UHFFFAOYSA-N 246.295 2.507 0 40 BFAB OC1CCN(CC/C=C/c2ccccc2)CC1 79439887 FXELTALWMJOIJT-XBXARRHUSA-N 231.339 2.547 0 40 BFAB COc1cc(F)ccc1[C@@](C)(O)C(C)C 95739284 OFEWBRRYHRTCIQ-LBPRGKRZSA-N 212.264 2.698 0 40 BFAB Cc1c(CCNCC2CCC(C)CC2)cnn1C 95978512 HKTJLHHPTDRZSD-UHFFFAOYSA-N 249.402 2.687 0 40 BFAB CC(C)(O)CCN[C@@H](c1ccccc1)C1CC1 95987461 KCZFSMYPHQVTJW-AWEZNQCLSA-N 233.355 2.888 0 40 BFAB CC(C)CCn1ccc(N[C@H]2CCO[C@@H]2C)n1 95991636 UAOVYWCJAKFTIN-NEPJUHHUSA-N 237.347 2.519 0 40 BFAB CCCCOc1ccc(F)c(C(=O)O)c1F 98210722 VAAYKFOYNPAJJL-UHFFFAOYSA-N 230.210 2.842 0 40 BFAB c1ccc([C@]23O[C@@H]4[C@H]5[C@H]6C[C@H]([C@@H]7[C@H]6[C@@H]4[C@@H]72)[C@H]53)cc1 100400673 DNZSZQJIFXZSPG-YCKAOPEYSA-N 236.314 2.668 0 40 BFAB C[C@@H](Cc1ccoc1)NC(=O)Cc1ccsc1 206718336 FSGKTIIGUKOVID-JTQLQIEISA-N 249.335 2.631 0 40 BFAB CCc1ccc(N[C@H]2CCC[C@H]2N)cc1 218880035 MBVRPHZLWBZIRL-OLZOCXBDSA-N 204.317 2.541 0 40 BFAB CCN(CC)[C@@H](Cc1c(C)cccc1C)C(=O)O 225141576 LLZWPINMWITYNG-AWEZNQCLSA-N 249.354 2.641 0 40 BFAB Cc1ccc(N=c2sccn2C)c(C)c1 256014337 YUAUPYJCVKNAEC-UHFFFAOYSA-N 218.325 2.936 0 40 BFAB OCC1CCN(c2ccnc3ccsc23)CC1 266108110 JKJFIBSATZEECY-UHFFFAOYSA-N 248.351 2.505 0 40 BFAB CCOC(=O)c1cccc([C@H]2CCCCN2)c1 616613395 QLZXNFLQSKFWQL-CYBMUJFWSA-N 233.311 2.678 0 40 BFAB O=C1Nc2ccccc2[C@@H]2CCCC[C@H]12 1579167 IZYIINICADMQJQ-ONGXEEELSA-N 201.269 2.913 0 40 BFAB CCC(CC)OC(=O)Cc1ccccc1 1583813 IXNXMQHWRPTORU-UHFFFAOYSA-N 206.285 2.961 0 40 BFAB CN(C)C(=S)SCNc1ccccc1 1668316 NWTURFIVRLWWKD-UHFFFAOYSA-N 226.370 2.636 0 40 BFAB Cc1ccc(-n2cnc3ccccc3c2=O)cc1 3122425 BCDBXRGJKSUXCT-UHFFFAOYSA-N 236.274 2.694 0 40 BFAB CC1(C)[C@H](O)CC[C@@H]1c1ccc(O)cc1 3850127 POHOJJVYKRHKRZ-VXGBXAGGSA-N 206.285 2.657 0 40 BFAB biogenic CCCc1nnc2ccc3ccccc3n12 5261295 GJIRTGKKCNFZTC-UHFFFAOYSA-N 211.268 2.835 0 40 BFAB COP(=O)(Cc1nc2ccccc2[nH]1)OC 5285606 WTXHDBSCBRZGCA-UHFFFAOYSA-N 240.199 2.549 0 40 BFAB Cc1ccc([C@]2(O)C[C@@H](C)N(C)C[C@H]2C)cc1 5601022 CFZMSXAIXMGEAH-NFAWXSAZSA-N 233.355 2.543 0 40 BFAB Cc1cc(C)n(C(=O)C(Cl)(Cl)Cl)n1 6203123 OAAKIZMIAIHWDU-UHFFFAOYSA-N 241.505 2.510 0 40 BFAB Cc1cc(F)ccc1NC(=O)c1ccccn1 6460463 MTUXKKCBPIMBMM-UHFFFAOYSA-N 230.242 2.781 0 40 BFAB CCCCCNCc1ccc2c(c1)OCO2 7261332 GUTBHTWRKJSPKA-UHFFFAOYSA-N 221.300 2.695 0 40 BFAB CC[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(C)cc1C 8041535 VQVXETFYVURVLR-CHWSQXEVSA-N 249.354 2.985 0 40 BFAB Cc1cc(N)ccc1-c1ccc(/C=C/C(=O)O)o1 8701976 CUTCMJLZNSHMQK-QPJJXVBHSA-N 243.262 2.935 0 40 BFAB CCC[C@H](Oc1ccc(OCC)cc1)C(=O)O 8730636 CMRGEZUDFIOTRL-LBPRGKRZSA-N 238.283 2.717 0 40 BFAB CC[C@@H](C)NC(=O)CCc1ccc(C)cc1 10328050 UBLACGKAKTXZCT-GFCCVEGCSA-N 219.328 2.842 0 40 BFAB CCc1ccccc1NC(=O)[C@@H](C)n1cccn1 12849852 LAYCZZLNIAOMQG-LLVKDONJSA-N 243.310 2.645 0 40 BFAB CC(C)(C)N1CCO[C@H](COc2ccccc2)C1 14982338 VHPLFQLDULGLNL-AWEZNQCLSA-N 249.354 2.565 0 40 BFAB CCCc1c(-c2ccccc2OC)noc1N 26512455 XFAWHLKPFOWDRC-UHFFFAOYSA-N 232.283 2.885 0 40 BFAB COC(=O)c1ccc(Cl)cc1-n1cccc1 38193846 NJKFFWDNTOVYOD-UHFFFAOYSA-N 235.670 2.917 0 40 BFAB CCN1C(=O)S/C(=C/C=C/c2ccco2)C1=O 39858983 CXTAYAPLFIWIGH-RVAGFXNCSA-N 249.291 2.892 0 40 BFAB CN(C)c1ccc(C(=O)CCCCC(=O)O)cc1 43214148 DCFLZXMHKNEBDL-UHFFFAOYSA-N 249.310 2.580 0 40 BFAB COc1ccc(C)cc1[C@H]1CCC[C@@H]1O 55264928 NUGATARQEPSXCZ-PWSUYJOCSA-N 206.285 2.632 0 40 BFAB CC(C)CNC(=O)C(C)(C)c1ccccc1 58296149 KVFPTJUFULFRTH-UHFFFAOYSA-N 219.328 2.736 0 40 BFAB Cc1cccc2sc(OC3CCNCC3)nc12 61957900 OOIGZBHIFOCXNE-UHFFFAOYSA-N 248.351 2.736 0 40 BFAB CCOCCCn1c(C(C)=O)nc2ccccc21 62702321 YCJSWDUZZZTKHL-UHFFFAOYSA-N 246.310 2.666 0 40 BFAB O=C(OCC(F)F)c1ccc2ccccc2n1 69701846 RCWWOUCWRPCURE-UHFFFAOYSA-N 237.205 2.657 0 40 BFAB N[C@H]1C[C@H]1c1ccc(-c2cccc(F)c2)o1 70453026 ZTYMDIDOXDVESF-MNOVXSKESA-N 217.243 2.900 0 40 BFAB CCN(C)C(=O)NCc1cccc(Cl)c1 71854049 WHCABGVLGXCLEB-UHFFFAOYSA-N 226.707 2.501 0 40 BFAB Fc1ccc2c(c1)CC[C@@H]2NCC1CCOCC1 75104040 FOGBTPPLIBGAJK-HNNXBMFYSA-N 249.329 2.829 0 40 BFAB CN(C)c1ccc(F)c(Br)c1 75842489 WQYSRHGLDWDYEP-UHFFFAOYSA-N 218.069 2.654 0 40 BFAB C(=C/c1ccccc1)\CCNC[C@H]1CCCNC1 79440059 DYFHFGUXETYWEU-VCIFKONDSA-N 244.382 2.679 0 40 BFAB CC(C)C(=O)c1coc2ccc(O)cc12 95094127 DTEBXHLHQBIYQB-UHFFFAOYSA-N 204.225 2.977 0 40 BFAB Cc1nc(C)c(C(=O)OCCc2ccccc2)o1 95406767 YMLZCDGFKILNST-UHFFFAOYSA-N 245.278 2.691 0 40 BFAB CCN(C)C(=O)c1cc(C2CC2)nn1C(C)(C)C 95949652 CPSJPQAEPVKRII-UHFFFAOYSA-N 249.358 2.607 0 40 BFAB CC(C)[C@H](N)CCN1CC[C@@H]2CCCC[C@@H]2C1 96523816 MLVPZLPJAZYUCD-RRFJBIMHSA-N 238.419 2.872 0 40 BFAB COCCCn1ccnc1-c1cccs1 97115037 OTSQHRCZECJUHB-UHFFFAOYSA-N 222.313 2.648 0 40 BFAB CSC[C@H](C)N(C)c1cccc(C)n1 97163315 OIQGCYLDKLNZEO-JTQLQIEISA-N 210.346 2.578 0 40 BFAB OC1[C@H]2C=C[C@H]1[C@@H]1[C@@H]3C=C[C@H](c4ccccc43)[C@@H]21 104282877 WERFPVGFROEBJU-LGFJLYTPSA-N 236.314 2.846 0 40 BFAB COc1cccc2c(C(=O)O)csc12 107149421 SUCWECNPZLFSFO-UHFFFAOYSA-N 208.238 2.608 0 40 BFAB Fc1ccccc1-c1noc(-c2ccccn2)n1 216617459 NZKGXEIZFRVMPZ-UHFFFAOYSA-N 241.225 2.938 0 40 BFAB CCc1cccc([Si](C)(C)C)c1CNC 219793850 BKEFGJMBWYRTFC-UHFFFAOYSA-N 221.420 2.514 0 40 BFAB Cc1c(Cl)cccc1N(C)[C@@H](C)C(=O)O 224991088 RQENEYRKXJPHIV-QMMMGPOBSA-N 227.691 2.558 0 40 BFAB Cc1cc(F)ccc1N1CCN[C@H]2CCCC[C@@H]21 225713788 PIUCDRHUXOYAGO-ZFWWWQNUSA-N 248.345 2.855 0 40 BFAB Oc1ccccc1OCC(F)(F)C(F)F 308601457 DDUPXLAETMBYIF-UHFFFAOYSA-N 224.153 2.671 0 40 BFAB C[C@@H](O)C1=C(Br)CCCC1 1857794172 GSGDEJZHKYTRNY-ZCFIWIBFSA-N 205.095 2.590 0 40 BFAB CC(C)NC(=O)Oc1ccc(Cl)cc1 384815 AUMPWFFCWSTSRG-UHFFFAOYSA-N 213.664 2.837 0 40 BFAB c1cncc(-c2nnc(-c3cccs3)o2)c1 422216 FRGKEECEGLJTAW-UHFFFAOYSA-N 229.264 2.860 0 40 BFAB O=C(O)c1ncsc1-c1ccccc1 542852 BIIMZWZUYMBFEV-UHFFFAOYSA-N 205.238 2.508 0 40 BFAB Cc1cc(N)ccc1NC(=O)CC(C)C 569966 MCKIAYTUKYRNMY-UHFFFAOYSA-N 206.289 2.562 0 40 BFAB O=C1c2ccccc2C[C@@H]2c3ccccc3CCN12 3847852 BCVJEXLLCNZHBJ-MRXNPFEDSA-N 249.313 2.982 0 40 BFAB biogenic CCOc1cc(CNCc2ccco2)ccc1O 4700561 XWBTZHZKCKKPNB-UHFFFAOYSA-N 247.294 2.674 0 40 BFAB O=C(NC1CC1)c1csc2c1CCCC2 5070062 GVEXNNSZGSKBSG-UHFFFAOYSA-N 221.325 2.519 0 40 BFAB CC1=N[C@@H](Cn2c(C)nc3ccccc32)CS1 5337947 YCOUKQPRNROLHV-NSHDSACASA-N 245.351 2.879 0 40 BFAB COc1ccc(-c2nc(S)c(N)s2)cc1 5514027 UYMBQUXEEKIXHI-UHFFFAOYSA-N 238.337 2.690 0 40 BFAB C/C=C/C=C/C(=O)Nc1ccc(OC)cc1 6406327 WETPQORNHOEBRM-VNKDHWASSA-N 217.268 2.766 0 40 BFAB CC[C@H](C)NCc1cccc(OC)c1OC 8326774 FPJIJINMLJVALZ-JTQLQIEISA-N 223.316 2.592 0 40 BFAB COc1ccc2cc([C@@H](C)O)c(Cl)nc2c1 11727526 LMIDMAGSHFBQHR-SSDOTTSWSA-N 237.686 2.950 0 40 BFAB c1ccc(OCC[C@@H]2CCCCN2)cc1 14632323 IGEAZUPXWIHNQZ-LBPRGKRZSA-N 205.301 2.598 0 40 BFAB Cc1cc(N2CCC(O)CC2)c2ccccc2n1 19721674 ZKYGAOUQTKMZKM-UHFFFAOYSA-N 242.322 2.504 0 40 BFAB Cc1cc(CN(C)C(=O)Nc2ccccc2)no1 27353898 DSQAXGZMVMGQDX-UHFFFAOYSA-N 245.282 2.647 0 40 BFAB OCc1cc(-c2cc3ccccc3o2)ccn1 32553372 JXGADBYKILQNDI-UHFFFAOYSA-N 225.247 2.987 0 40 BFAB C[C@H]1CN([C@@H](C)c2ccc(F)cc2)CCO1 32865552 QQULBPAWSHVMCJ-QWRGUYRKSA-N 223.291 2.607 0 40 BFAB CCN(C(=O)c1n[nH]cc1Cl)c1ccccc1 36614917 FWKXZTXCSLOJSY-UHFFFAOYSA-N 249.701 2.730 0 40 BFAB CCCOc1cccc(/C=C/[N+](=O)[O-])c1 36665004 VUMFMVXEUABQMF-VOTSOKGWSA-N 207.229 2.723 0 40 BFAB Nc1nccn1Cc1cccc(C(F)(F)F)c1 37635545 ZRPDWYFOBJITDJ-UHFFFAOYSA-N 241.216 2.532 0 40 BFAB Cc1ccc(C)c([C@@H](C)NC(=O)NC2CC2)c1 40016027 IBDCALWJBDPPNK-LLVKDONJSA-N 232.327 2.826 0 40 BFAB Clc1ccc(C2=Nc3nonc3NC=C2)cc1 40175412 AEYWBEZFJYCPRX-UHFFFAOYSA-N 246.657 2.783 0 40 BFAB CC(=O)COc1ccc(C(F)(F)F)cc1 44563581 JAWTZBKJCXMTDW-UHFFFAOYSA-N 218.174 2.673 0 40 BFAB Cc1cc(NC(=O)C2CCC2)n(C(C)(C)C)n1 47228203 IVOOLCLJCSIRLD-UHFFFAOYSA-N 235.331 2.685 0 40 BFAB CC(C)c1nnc2c(S)nc3ccccc3n12 51353987 GSTMQTDFCKEUGK-UHFFFAOYSA-N 244.323 2.690 0 40 BFAB CCN(C(=O)CN1CCCCC1)c1ccccc1 60512617 FDSXTFVVSHEEDZ-UHFFFAOYSA-N 246.354 2.525 0 40 BFAB CCN(CC)c1ccc([C@H]2C[C@H]2[C@@H](C)N)cc1 62713809 PSLMPRXZPHIWIW-BYCMXARLSA-N 232.371 2.984 0 40 BFAB CCCN1CCC[C@@H]1c1cnc(NC)c(C)c1 72218981 KOVRZJRBSSAJDY-CYBMUJFWSA-N 233.359 2.979 0 40 BFAB Cc1cc(NC(C)(C)C)ncc1[C@@H](C)N 72223976 FIUUVXNAXLWXLJ-SECBINFHSA-N 207.321 2.620 0 40 BFAB CC(C)N1CC[C@@H](Cc2cnc3[nH]ccc3c2)C1 72367730 QZYUWMCAIAMUFE-LBPRGKRZSA-N 243.354 2.836 0 40 BFAB FC(F)(F)C(F)(F)c1cnc(Cl)cn1 91252225 AIIIECFGQCDKOM-UHFFFAOYSA-N 232.539 2.784 0 40 BFAB C[C@H]1CCCCN1Cc1ccccc1C=O 95738623 BJRKTLFXFDUBEW-LBPRGKRZSA-N 217.312 2.874 0 40 BFAB CCN(CC)[C@@H](Cc1cc(C)ccc1C)C(=O)O 107843663 FKEGEISQUJKEDK-AWEZNQCLSA-N 249.354 2.641 0 40 BFAB COc1c(C)ncc(Br)c1Cl 135873294 JBLMLPOMVWZKEV-UHFFFAOYSA-N 236.496 2.815 0 40 BFAB O=C(O)c1ncc(-c2ccccc2F)s1 199791769 INIWUEURZBNEGZ-UHFFFAOYSA-N 223.228 2.647 0 40 BFAB Cc1ccc(-n2cccc2CO)c(Cl)c1 223726486 DRIIMJZDPPPYJU-UHFFFAOYSA-N 221.687 2.931 0 40 BFAB CC(C)Oc1nn(C)c2ccc(S)cc12 225774109 PDCPSEJWEKZPFG-UHFFFAOYSA-N 222.313 2.649 0 40 BFAB Cc1cccc(N2CCC[C@H]2c2ccncn2)n1 257206961 BFQSJXPNHLREPE-ZDUSSCGKSA-N 240.310 2.522 0 40 BFAB CC(C)c1ccc(N[C@@H]2CC[C@H]2O)cc1 585299010 ZHMMKSMECCOPJH-CHWSQXEVSA-N 205.301 2.745 0 40 BFAB FC(F)(F)c1ccnc(OC[C@H]2CCCO2)c1 585654018 BKCIKXNUVZQWOL-SECBINFHSA-N 247.216 2.658 0 40 BFAB CSc1[nH]c2ccccc2c1CC(=O)N(C)C 480348 RSOKXCKUYSJZEL-UHFFFAOYSA-N 248.351 2.521 0 40 BFAB O=C(O)/C=C/c1cc(F)cc(Br)c1 2528586 ZIHACLSWYQAINK-OWOJBTEDSA-N 245.047 2.686 0 40 BFAB Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 2570854 VWOJMXKARYCRCC-UHFFFAOYSA-N 236.278 2.842 0 40 BFAB in-vitro CN(C)c1cccc([C@@H]2CCCCN2)c1 2582630 JIHTWGIPECVKOO-ZDUSSCGKSA-N 204.317 2.567 0 40 BFAB O=C1N[C@@H](c2ccccc2F)Nc2ccccc21 2807066 KRRBJLBTJZWEEX-ZDUSSCGKSA-N 242.253 2.680 0 40 BFAB SC1=NC2(CCCC2)NN1c1ccccc1 2893208 YOVKZKLGVGKTHH-UHFFFAOYSA-N 233.340 2.567 0 40 BFAB OCC[C@H](O)n1c2ccccc2c2ccccc21 4029487 VWZHCSZBZYMQQM-HNNXBMFYSA-N 241.290 2.668 0 40 BFAB biogenic CC(C)[C@H](CCN)[C@H]1CCOC(C)(C)C1 4046508 WPYLQMXZEZDIRU-RYUDHWBXSA-N 213.365 2.813 0 40 BFAB biogenic CC(=O)Oc1ccccc1C(F)(F)F 5438329 GNFCRFCIPJLCLB-UHFFFAOYSA-N 204.147 2.631 0 40 BFAB Cc1cc(NC(=O)N(C)C2CCCCC2)no1 9254019 KMBQKQDIGFLLHC-UHFFFAOYSA-N 237.303 2.779 0 40 BFAB Cc1ccc(CNC(=O)NCc2ccco2)cc1 9364647 ALLSHWAXFHYBBD-UHFFFAOYSA-N 244.294 2.587 0 40 BFAB Cc1ccc(C(=O)Nc2cc(C)no2)cc1 13596629 CWMSPWDVBLCDMM-UHFFFAOYSA-N 216.240 2.544 0 40 BFAB CCCOc1ccc(Br)cc1N 14630920 YCNZOMMQQZMBKL-UHFFFAOYSA-N 230.105 2.820 0 40 BFAB Nc1ccccc1CC(=O)OC1CCCCC1 20155675 CCYKMCIWLCBXDH-UHFFFAOYSA-N 233.311 2.687 0 40 BFAB O=C(C[C@@H]1C=CCC1)NC1CCCCC1 32747695 OCPOQHORHNZXEZ-LLVKDONJSA-N 207.317 2.792 0 40 BFAB C[C@H]1CC(=O)C[C@H](C)N1Cc1ccccc1 34725302 RZABKAGQMPNUFJ-RYUDHWBXSA-N 217.312 2.629 0 40 BFAB in-vitro CN(C)[C@H](C(=O)O)c1cc(Cl)cc(Cl)c1 37425146 FBZPIHFBJZHLPX-VIFPVBQESA-N 248.109 2.681 0 40 BFAB biogenic,in-vitro CCCc1nc(CSc2ncn[nH]2)cs1 40500925 OKPOHDJACBGDCP-UHFFFAOYSA-N 240.357 2.506 0 40 BFAB CC(=O)Cc1cc(F)ccc1Br 43502025 FZXAXUNTVGVLFF-UHFFFAOYSA-N 231.064 2.720 0 40 BFAB in-vitro O=C(CCc1c(F)cccc1F)N1CCCC1 48073504 IBOKTPIPEAUIBZ-UHFFFAOYSA-N 239.265 2.520 0 40 BFAB C[C@H](C(=O)Nc1cccc(Cl)c1)n1ccnc1 48333337 MDQZCAKFQGEYLE-SECBINFHSA-N 249.701 2.736 0 40 BFAB COCCc1ccc(O)c(C(=O)CC(C)C)c1 52068565 HCIARXHTJFVHEW-UHFFFAOYSA-N 236.311 2.810 0 40 BFAB CC(C)CC(=O)N(C)[C@H](C)[C@H](O)c1ccccc1 52514024 INBVDWVAPFBTHE-DOMZBBRYSA-N 249.354 2.613 0 40 BFAB CCNc1cccc(NC(=O)c2ccco2)c1 62796931 HGRCFGMIKKADQE-UHFFFAOYSA-N 230.267 2.964 0 40 BFAB Cc1ccc(-c2nnc(Br)o2)cc1 71549234 MHGAXGRCQSVVMZ-UHFFFAOYSA-N 239.072 2.808 0 40 BFAB Brc1ccccc1C[C@@H]1CCNC1 71549967 GZSZDYKDXCNFQZ-VIFPVBQESA-N 240.144 2.601 0 40 BFAB CCOc1cc(Cl)c2nc(N)sc2c1 72333498 CMZIHHWIQUYQJG-UHFFFAOYSA-N 228.704 2.931 0 40 BFAB CCc1nnc2sc(-c3ccc(C)cc3)nn12 73638558 KQTABVQXGDXEFP-UHFFFAOYSA-N 244.323 2.724 0 40 BFAB CCCN(CC(=O)O)c1ccccc1Cl 76612880 QWRXGCDSTHJOJK-UHFFFAOYSA-N 227.691 2.641 0 40 BFAB CCCCNCC[C@H]1CCCC[C@H]1OC 85396091 SCTXUOYWBFRWKD-CHWSQXEVSA-N 213.365 2.971 0 40 BFAB CONC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12 89420511 AIBSUEFOEGYDGK-ZIAGYGMSSA-N 241.290 2.621 0 40 BFAB Cc1ccccc1N[C@H]1CCCC[C@H]1N 115098812 CVXFZOUWYWUPNO-YPMHNXCESA-N 204.317 2.677 0 40 BFAB C[C@H](CCn1cccn1)OCc1ccccc1 195578309 OJRJWYXKHQGWKX-CYBMUJFWSA-N 230.311 2.879 0 40 BFAB O=C(c1cc(F)c(F)cc1F)C(F)F 236146555 AKPYYFVAMYKGMS-UHFFFAOYSA-N 210.101 2.552 0 40 BFAB CC(=O)OCC(=O)c1cccc(Cl)c1Cl 389366102 HNZZUGDAKOPYSO-UHFFFAOYSA-N 247.077 2.739 0 40 BFAB CC[C@H](C)n1cc(Cl)c(COC)n1 408715479 RPAXIVBWEOGPJF-ZETCQYMHSA-N 202.685 2.654 0 40 BFAB Cc1ccc(-c2cn3ncsc3n2)cc1 143998 KLVOYOMLAVRBSH-UHFFFAOYSA-N 215.281 2.766 0 40 BFAB COc1ccc(C=O)cc1OCC(C)C 3298526 VUGWJDGEPZNBKZ-UHFFFAOYSA-N 208.257 2.543 0 40 BFAB in-vitro COP(=O)(OC)[C@](C)(O)c1ccc(C)cc1 5416468 ZCTALOWBWBDNOH-NSHDSACASA-N 244.227 2.646 0 40 BFAB Fc1cc(F)c2nc(C(F)(F)F)[nH]c2c1 5425283 OTBZYJFQZSYALD-UHFFFAOYSA-N 222.116 2.860 0 40 BFAB Nc1[nH]nc(-c2ccco2)c1-c1ccccc1 8701300 NJAWYSRVKIXRKC-UHFFFAOYSA-N 225.251 2.919 0 40 BFAB CCc1cc2cc(Cl)ccc2nc1NN 11634039 GVCJSLOVFVQBCZ-UHFFFAOYSA-N 221.691 2.736 0 40 BFAB CCN(Cc1ccccc1)CC1CCNCC1 11953345 SYHZXUDHPUMGHQ-UHFFFAOYSA-N 232.371 2.508 0 40 BFAB CN1C(=O)c2ccccc2NC12CCCCC2 12537566 HADACUPPUYPQJX-UHFFFAOYSA-N 230.311 2.845 0 40 BFAB C[C@H](C(=O)Nc1ccc(Cl)cc1)n1cccn1 12849793 NOCJBJFNTBJRDM-SECBINFHSA-N 249.701 2.736 0 40 BFAB CCCNC(=O)[C@H]1Cc2ccc(C)cc2S1 12893168 ZCIYGZNJXKWCDY-GFCCVEGCSA-N 235.352 2.538 0 40 BFAB Cc1ccc(-n2c(N)nc3ccccc32)cc1 20586172 WRXFQULKSDREIV-UHFFFAOYSA-N 223.279 2.916 0 40 BFAB in-vitro CC(C)CNC(=O)c1ccccc1-n1cccc1 20721786 QACVSBZGMFWACK-UHFFFAOYSA-N 242.322 2.863 0 40 BFAB Cc1ccc2c(N)ccc(Br)c2n1 26460646 GEVHFIDEEYAWOQ-UHFFFAOYSA-N 237.100 2.888 0 40 BFAB Fc1ccc(-c2c[nH]c([C@@H]3CCCN3)n2)cc1 36874126 ALHPQZHCDUZSKY-NSHDSACASA-N 231.274 2.640 0 40 BFAB in-vitro CC(C)Cc1noc(CN2CCCC[C@@H]2C)n1 40490051 CIPXVKBTBGAKAF-NSHDSACASA-N 237.347 2.643 0 40 BFAB O=c1[nH]c2ccccc2n1Cc1ccccc1F 41286354 DMPPFVOVTASCKL-UHFFFAOYSA-N 242.253 2.517 0 40 BFAB CCCNC(=O)CCc1ccccc1OCC 44869111 XCXRPSIGZNQXDX-UHFFFAOYSA-N 235.327 2.544 0 40 BFAB Sc1ccccc1CN1CCCCC1 45206632 MSAASBFIPKTYFE-UHFFFAOYSA-N 207.342 2.961 0 40 BFAB COC[C@@H](C)Nc1ccc(F)c(Cl)c1 53172807 BIQPBTWBUKZUHN-SSDOTTSWSA-N 217.671 2.926 0 40 BFAB C[C@@H]1CCCCN1c1ccc(NC(N)=S)cc1 57328113 OKMCRXNOBRMJOC-SNVBAGLBSA-N 249.383 2.721 0 40 BFAB CC(C)c1cc(Cl)c(O)c(C(=O)O)c1 57339073 MSYHQSDIZIAXOM-UHFFFAOYSA-N 214.648 2.867 0 40 BFAB COC(=O)c1c(C)c(Cl)cc(C)c1OC 57339729 RGYUXRKEJRBGPC-UHFFFAOYSA-N 228.675 2.752 0 40 BFAB N=C(N)SCCc1ccc(Cl)cc1 58569047 CWECCPVECKBNJG-UHFFFAOYSA-N 214.721 2.509 0 40 BFAB CCc1ccc2nc(C)cc(OCC(=O)O)c2c1 62719724 NEGTXZSVZVVVGQ-UHFFFAOYSA-N 245.278 2.569 0 40 BFAB CCCc1nc(Cn2ccc(C)cc2=O)cs1 71857498 AYCBWVVRQDTCHE-UHFFFAOYSA-N 248.351 2.614 0 40 BFAB Cc1ncccc1C(=O)N1CC[C@@H](CC(C)C)C1 73188848 JGNMFTJGKFFOIS-ZDUSSCGKSA-N 246.354 2.898 0 40 BFAB CSc1ccc(-c2n[nH]c(=S)n2C)cc1 77374367 XUUIEKVBXODVFB-UHFFFAOYSA-N 237.353 2.867 0 40 BFAB CCCCn1c(C(C)=O)cc(C(=O)O)c1CC 78404562 AVHUTTKZEDRDBD-UHFFFAOYSA-N 237.299 2.751 0 40 BFAB CCOC(=O)c1cc(C(F)(F)F)ccc1O 82726148 FUFAQSXOEJFNGD-UHFFFAOYSA-N 234.173 2.588 0 40 BFAB CC[C@H](C(=O)Nc1ccc(Cl)cc1)N(C)C 84718760 QABZNFMGIOYDSK-LLVKDONJSA-N 240.734 2.619 0 40 BFAB O=C1N=Cc2c(Cl)cc(Cl)cc21 85345500 BRNVPDGGZGQBBI-UHFFFAOYSA-N 200.024 2.566 0 40 BFAB CC(C)C[C@@H](N)CN(C)CCc1ccccc1 88243074 JXNOAOYAJFEBCE-OAHLLOKOSA-N 234.387 2.534 0 40 BFAB COc1c(C)cc(CC(C)(C)O)cc1C 95729078 KWMNAGQRQBZPJS-UHFFFAOYSA-N 208.301 2.625 0 40 BFAB O=C(c1nccs1)c1c(F)cccc1F 95739885 OICLLAXUDANMAK-UHFFFAOYSA-N 225.219 2.652 0 40 BFAB C[C@@H]1OCC[C@@H]1SCc1nccs1 95974128 XCYHAGCAVUPFRW-YUMQZZPRSA-N 215.343 2.554 0 40 BFAB CC[C@@H](NCCOC)c1ccccc1F 96034222 LSTPUNOMHJMRMQ-GFCCVEGCSA-N 211.280 2.513 0 40 BFAB c1ccc(-c2ccnc3nc(C4CC4)nn23)cc1 96344988 SWRUFIORXBBYGT-UHFFFAOYSA-N 236.278 2.669 0 40 BFAB CCSCC[C@@H](C)NC(=O)[C@H]1CC=CCC1 96433114 QIJKUKCYBMTISV-NEPJUHHUSA-N 241.400 2.991 0 40 BFAB Cc1sc(C(=O)O)c(Br)c1C 98181002 ONSAXBIOENUWAI-UHFFFAOYSA-N 235.102 2.826 0 40 BFAB C[C@H]1CC(=O)[C@@H]2[C@H](C1)[C@@H]1CC[C@]2(C)CC1=O 104097457 QBVXXJIGLMFGCN-OUCLFPSISA-N 220.312 2.607 0 40 BFAB CC(C)(C)CCN1CCC[C@H]1Cn1ccnc1 188421003 GZNAZHZXSGFMRT-ZDUSSCGKSA-N 235.375 2.784 0 40 BFAB CCc1ccc(C=O)n1Cc1ccco1 225302004 LXFCDTMVUHAVIG-UHFFFAOYSA-N 203.241 2.504 0 40 BFAB O=C(c1cc(F)c(F)cc1F)C(F)(F)F 236156481 HHRNCXDBJRCUFJ-UHFFFAOYSA-N 228.091 2.849 0 40 BFAB CCSCc1nc(O)c2ccc(F)cc2n1 253535186 WNXCDMUGIJGMOI-UHFFFAOYSA-N 238.287 2.728 0 40 BFAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](C)N21 260780941 RYDGTFKDYRMSGL-HOSYDEDBSA-N 247.367 2.708 0 40 BFAB Cc1cccc(C(=O)NCCC(C)C)c1 30392 QMCNVWPSCDJUKJ-UHFFFAOYSA-N 205.301 2.771 0 40 BFAB Clc1nc(Cl)nc(NC2CCCCC2)n1 53740 NPYDPROENPLGBR-UHFFFAOYSA-N 247.129 2.923 0 40 BFAB Cc1[nH]c2ccccc2c1C[C@H]1C[C@H](C)OC1=O 518772 LBCSSFHBUUXFJE-GXSJLCMTSA-N 243.306 2.970 0 40 BFAB biogenic O[C@H]1CCOc2ccc3ccccc3c21 827975 WWEGDCIWTPBLAU-NSHDSACASA-N 200.237 2.656 0 40 BFAB CCCCCCC1(C)CC(=O)N(C)C(=O)C1 1670893 SBJPCLZVIUAGDV-UHFFFAOYSA-N 225.332 2.742 0 40 BFAB Cc1nc(Cl)nc(-c2ccccc2)n1 2034011 MZHFNHGPRUIATC-UHFFFAOYSA-N 205.648 2.500 0 40 BFAB FC(F)(F)c1ccccc1[C@@H]1CCNC1 2509812 BHQVEKYUXFSYAH-MRVPVSSYSA-N 215.218 2.782 0 40 BFAB CC[C@H](C)SCC(=O)N1CCC(C)CC1 3223000 IKCKLWDMZOLZQV-NSHDSACASA-N 229.389 2.777 0 40 BFAB C[C@@H](c1ccccc1)C1O[C@H](C)[C@@H](C)O1 4791950 FQSZRLNVLSXEPD-HBNTYKKESA-N 206.285 2.940 0 40 BFAB CCCCNCc1cccc(OC)c1OCC 7261730 XUOAWAYRGRXZEV-UHFFFAOYSA-N 237.343 2.984 0 40 BFAB COc1ccc(CNC(=O)[C@@H]2CC=CCC2)cc1 7969444 VXTYLFGZSRXHMK-CYBMUJFWSA-N 245.322 2.668 0 40 BFAB COC(=O)c1cc2ccc(Cl)cc2n1C 8417052 GKOLTSNJXKTVRB-UHFFFAOYSA-N 223.659 2.618 0 40 BFAB COc1ccccc1C(=O)n1nc(C)c(C)c1C 10155613 IXGUWGHIHXHBTD-UHFFFAOYSA-N 244.294 2.505 0 40 BFAB CCc1c(O)nc(=S)n(-c2ccccc2)c1O 18227439 BUIAADVWUHKTNX-UHFFFAOYSA-N 248.307 2.575 0 40 BFAB Cc1cccc2c3c([nH]c12)[C@@H](N)CCC3 20217070 YNOFAAWFCCAYLW-NSHDSACASA-N 200.285 2.812 0 40 BFAB N[C@@H](Cc1ccccc1)CN1CCCCCCC1 20266242 PXQHXBIFPYQUGB-INIZCTEOSA-N 246.398 2.823 0 40 BFAB COc1ccccc1Oc1ccc(C(=O)O)o1 20274392 UXSCCXBEPPHVAW-UHFFFAOYSA-N 234.207 2.779 0 40 BFAB C[C@H]1CCCN(C(=O)C[C@H]2C=CCC2)C1 32747700 PDQUUMDIZMXOOE-RYUDHWBXSA-N 207.317 2.601 0 40 BFAB CCOc1ccc(Oc2cc(N)ccn2)cc1 33294791 RKTBEQYOQAJRTO-UHFFFAOYSA-N 230.267 2.855 0 40 BFAB O=C(O)/C=C\c1ccc(C(F)(F)F)c(F)c1 33364687 LUEWWWLVURRLNN-RQOWECAXSA-N 234.148 2.942 0 40 BFAB CCCC(CCC)NC[C@H]1CCCOC1 38043631 CPXUSEONDNEQDE-GFCCVEGCSA-N 213.365 2.971 0 40 BFAB CCOc1ccc2cc(C(=O)O)ccc2c1 39100196 LOHXYEJLFDWVEH-UHFFFAOYSA-N 216.236 2.937 0 40 BFAB Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2C)on1 45082184 YSMXNWHZMCBZDH-MWLCHTKSSA-N 236.315 2.634 0 40 BFAB Cc1nc(C(=O)Oc2ccccc2)cs1 69312094 OEBSMTDYIFEVKN-UHFFFAOYSA-N 219.265 2.671 0 40 BFAB Cc1cc(C(=O)O)cnc1SC(C)(C)C 72222813 AATXFIVGWCRCOK-UHFFFAOYSA-N 225.313 2.979 0 40 BFAB C[C@@H](N)c1c(F)cccc1C(F)(F)F 75845006 AVBMULHZUJQLPZ-RXMQYKEDSA-N 207.170 2.864 0 40 BFAB Nc1cc(-c2ccccc2)nn1CC(F)(F)F 79387559 GRUVVUBNDUYJAU-UHFFFAOYSA-N 241.216 2.695 0 40 BFAB CCC[C@@](C)(O)c1ccc(OC)c(OC)c1 86336456 KONVKNOJGWMISK-CYBMUJFWSA-N 224.300 2.711 0 40 BFAB Cc1[nH]ccc1C(=O)N1CCC[C@@H]2CCC[C@H]21 89536762 KQJGJQVQFKVYOW-WCQYABFASA-N 232.327 2.728 0 40 BFAB CCOc1ccc(C2=CCN(C)CC2)cc1 91813510 MBUJHDRCLVYBSH-UHFFFAOYSA-N 217.312 2.804 0 40 BFAB CC[C@@H](N)c1cc(F)ccc1Br 95662708 RVKKUPFZTBJBOM-SECBINFHSA-N 232.096 2.998 0 40 BFAB CC(C)(C)c1ccc2cc(F)c(=O)[nH]c2c1 96171838 UAPJGIZFLXHWQD-UHFFFAOYSA-N 219.259 2.965 0 40 BFAB CCO[C@H]1CC2(CCNCC2)c2cc(F)ccc21 96241669 LQZOPJHHFZSUJQ-AWEZNQCLSA-N 249.329 2.928 0 40 BFAB C[C@H](O[C@H]1CCNC1)c1ccccc1Cl 96529842 UETHPUBDRLDRHJ-UWVGGRQHSA-N 225.719 2.780 0 40 BFAB CC(C)C1=NN(c2ccc(F)cc2)C(=O)C1 100407051 HTMDQMJAXZADTL-UHFFFAOYSA-N 220.247 2.574 0 40 BFAB Nc1ccc2ncn(Cc3ccccc3)c2c1 137390058 CZALAWQUPYSSBT-UHFFFAOYSA-N 223.279 2.667 0 40 BFAB C[C@H](O)C[C@@H](C)CNC[C@@H]1CCC[C@@H](C)C1 195547948 UFEFJKVUUPTTKU-YIYPIFLZSA-N 227.392 2.809 0 40 BFAB CN(C)Cc1cccn1-c1ccccc1 196340988 OGIBBUZNKXSOME-UHFFFAOYSA-N 200.285 2.539 0 40 BFAB CCCNC(=S)Nc1ncc(Cl)cc1C 223870820 SKMJKNJHYPDIFA-UHFFFAOYSA-N 243.763 2.740 0 40 BFAB COC(=O)c1c(Cl)ccc2cccnc12 725325976 NFLIHHDCYAECPP-UHFFFAOYSA-N 221.643 2.675 0 40 BFAB OCc1cc(Cl)c(OCCF)c(Cl)c1 1776010753 XFZFAKVBHGIUID-UHFFFAOYSA-N 239.073 2.834 0 40 BFAB CCOC(=O)c1cnc2cccc(C)c2c1 1857793819 CDFXKEDQVDVZMV-UHFFFAOYSA-N 215.252 2.720 0 40 BFAB CC(C)(C)OC(=O)c1cccc2c[nH]nc12 1857794929 XBPFDDOKJSEQQO-UHFFFAOYSA-N 218.256 2.518 0 40 BFAB CC[C@H]1C(=O)C(C)(C)C(=O)O[C@@H]1c1ccccc1 226611 BXCYIBCBVGYMFT-VXGBXAGGSA-N 246.306 2.906 0 40 BFAB OCc1cccc(OCc2ccc(F)cc2)c1 575345 ZYUKCPDIJYCZTL-UHFFFAOYSA-N 232.254 2.897 0 40 BFAB Nc1ccc(-c2cccc(CC(=O)O)c2)cc1 1256949 JLOGMSQXFREKFM-UHFFFAOYSA-N 227.263 2.563 0 40 BFAB O[C@@H](Cn1cnc2ccccc21)c1ccccc1 1649243 PHNRAFWGTZKCDV-HNNXBMFYSA-N 238.290 2.770 0 40 BFAB Cc1ccc(OS(=O)(=O)c2ccccc2)cc1 1679974 RQYYUHGXOAMYAL-UHFFFAOYSA-N 248.303 2.763 0 40 BFAB Cc1cc(C)cc(NC(=O)[C@@H]2C[C@@H]2C)c1 3407279 YVJFZFXJJRAQDO-CMPLNLGQSA-N 203.285 2.898 0 40 BFAB CN(C)CCC(=O)c1ccc2c(c1)CCCC2 3636820 YZDDKXKEYHAKTE-UHFFFAOYSA-N 231.339 2.700 0 40 BFAB COCc1c(C(=O)O)sc2cccc(F)c12 4206711 CDOZCHNGLKPZLS-UHFFFAOYSA-N 240.255 2.885 0 40 BFAB C[C@@H]1C(=O)CCN(CCc2ccccc2)[C@H]1C 4342751 QJYLHNRPTOYYNS-STQMWFEESA-N 231.339 2.529 0 40 BFAB CC(=O)N1N=CC[C@H]1[C@H]1[C@@H](C)C=C(C)C[C@H]1C 4844070 HUMGQYPYCXKRLK-XCCSTKFXSA-N 234.343 2.831 0 40 BFAB CNCc1cc(Cl)cc(Cl)c1OC 5910013 ITYGKBZOYQQXAL-UHFFFAOYSA-N 220.099 2.721 0 40 BFAB Cc1ccc(CNCc2ccc(O)cc2)cc1 6600495 PGKXCTZQQAKXMC-UHFFFAOYSA-N 227.307 2.990 0 40 BFAB Cc1ccc(NC(=S)NC(C)C)c(C)c1 13788717 BOGDMSAFCYLRNC-UHFFFAOYSA-N 222.357 2.998 0 40 BFAB Cc1cc(N)n(-c2nc3c(F)cccc3s2)n1 17012080 DHHMLFAKAXKASA-UHFFFAOYSA-N 248.286 2.512 0 40 BFAB CCN(CC)CCNCc1ccccc1Cl 19919117 UMRRAWDIVCXZAB-UHFFFAOYSA-N 240.778 2.771 0 40 BFAB Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1N 22217776 VHAPCOSHZCMPRJ-PHIMTYICSA-N 246.354 2.695 0 40 BFAB CCC(=O)Nc1ccc(-c2cnc(C)o2)cc1 29953223 AXNSKIIOSSTLBA-UHFFFAOYSA-N 230.267 2.999 0 40 BFAB CCOc1cc(OC)c(C(C)=O)cc1Cl 30769074 HXHWZONLSIQIBJ-UHFFFAOYSA-N 228.675 2.950 0 40 BFAB CC(C)CNC(=O)NCc1ccccc1Cl 32862697 QCPGDLVRQJYRBK-UHFFFAOYSA-N 240.734 2.795 0 40 BFAB Cc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)c(C)c1 33019163 YXGZIGDPZVGKST-STQMWFEESA-N 247.338 2.553 0 40 BFAB C[C@H](NC(C)(C)C)C(=O)c1ccccc1 33852020 JQNSRSIGKZYQAA-JTQLQIEISA-N 205.301 2.646 0 40 BFAB in-vivo C[C@@H](O)c1ccc(NC(=O)C(C)(C)C)cc1 35646058 CBFXMOQYOITZFJ-SECBINFHSA-N 221.300 2.725 0 40 BFAB CCSc1nccn1-c1ccc(OC)cc1 39373459 LCIZXQMUCCXIMU-UHFFFAOYSA-N 234.324 2.993 0 40 BFAB COc1ccc(C)cc1[C@H](O)c1ccoc1 40264163 MRHKOAZDIHZKHP-CYBMUJFWSA-N 218.252 2.678 0 40 BFAB CCOC(=O)c1ccc(-c2ccc(C)cn2)o1 45028403 LCMFTYRHWMDDON-UHFFFAOYSA-N 231.251 2.827 0 40 BFAB CC(C)CCN(C)C(=O)c1ccc2c(c1)OCO2 45472522 MZXMVQKYKUETHW-UHFFFAOYSA-N 249.310 2.533 0 40 BFAB Cc1cc(C)cc([C@H](O)c2ccco2)c1 54445773 GUVQNDNOXWWUJA-ZDUSSCGKSA-N 202.253 2.978 0 40 BFAB COCC(=O)c1cccc(C(F)(F)F)c1 55199989 BCTBZMLZCLEMAA-UHFFFAOYSA-N 218.174 2.535 0 40 BFAB in-vitro C[C@@H]1C[C@H]1C(=O)NCCC1=CCCCC1 57287874 LEASRAUSZBWTPU-ZYHUDNBSSA-N 207.317 2.649 0 40 BFAB COc1ccc(Cl)cc1CC(C)(C)O 57497209 UTUXSGILSLPINA-UHFFFAOYSA-N 214.692 2.662 0 40 BFAB Nc1cccnc1Oc1ccc2[nH]ccc2c1 66442632 FUHMCPKMMGLHQE-UHFFFAOYSA-N 225.251 2.937 0 40 BFAB CSc1ccc([C@H]2CCCCN2)cn1 72216894 JTMBFEGVALICMX-SNVBAGLBSA-N 208.330 2.618 0 40 BFAB O=C(CCc1nc(C2CC2)no1)c1ccccc1 75609932 BARNDZLQWLVVPJ-UHFFFAOYSA-N 242.278 2.763 0 40 BFAB CC[C@H](C)C(=O)N[C@@H](C)c1csc(C)n1 78562710 DZXJOMHXXHNVRA-YUMQZZPRSA-N 226.345 2.675 0 40 BFAB O=C1CCCC[C@@H]2NC[C@@H](c3ccccc3)[C@H]12 82169925 FBODYRRHMNRLID-YDHLFZDLSA-N 229.323 2.501 0 40 BFAB biogenic CCS[C@@H]1CCC[C@@H](NC(=O)N(C)CC)C1 84760738 OCSXWZBMOSQJNP-GHMZBOCLSA-N 244.404 2.712 0 40 BFAB Cc1ccc2c(c1)OC(F)(F)[C@@H](F)O2 91252123 HQSIRNKIRHDECP-QMMMGPOBSA-N 204.147 2.655 0 40 BFAB FC(F)(F)c1ccncc1N1CCCC1 95081172 MUZNDJQBAPAJNK-UHFFFAOYSA-N 216.206 2.701 0 40 BFAB Cc1cccc([C@@H](C)NCCCn2cccn2)c1 95419847 OEURGOBDSYOQES-CQSZACIVSA-N 243.354 2.932 0 40 BFAB CCc1csc(Cc2ncc(Cl)n2C)n1 96433557 RHVLBIQPYOWWSS-UHFFFAOYSA-N 241.747 2.683 0 40 BFAB Cc1nc(CNc2cccc(CO)c2)sc1C 96494624 ZRFYCXKPJQOXLT-UHFFFAOYSA-N 248.351 2.864 0 40 BFAB Cc1ccc(-c2cc(=O)[nH]c(C3CC3)n2)cc1 96530950 NZNYTXAUTFHROB-UHFFFAOYSA-N 226.279 2.623 0 40 BFAB NC(=O)[C@H]1CCCCc2c1[nH]c1ccc(F)cc21 97455164 NFCOTMABMWEIHG-JTQLQIEISA-N 246.285 2.602 0 40 BFAB CC1(C)[C@@H]2CC=C(Br)[C@@H](O)[C@@H]1C2 101139984 PFZOIQPVBHYHBX-FJXKBIBVSA-N 231.133 2.692 0 40 BFAB COc1cccc2cc(C(=O)NC(C)C)oc12 113942310 JZQYBZHWPCLSKA-UHFFFAOYSA-N 233.267 2.580 0 40 BFAB Cc1nc(SCC(C)C)c(C(=O)O)s1 218308346 RTROUPREJSWXDG-UHFFFAOYSA-N 231.342 2.898 0 40 BFAB N[C@H]1CCC[C@@H]1Nc1cccc(C(F)(F)F)c1 218876850 WIUGTKUNWBPPNP-QWRGUYRKSA-N 244.260 2.997 0 40 BFAB C[Si](C)(C)c1ccc(F)c([Si](C)(C)C)c1 219786662 UZGDKQYLNZIOPL-UHFFFAOYSA-N 240.470 2.916 0 40 BFAB CCc1cccc(N(C(=O)O)C(C)(C)C)n1 228914803 MZNYDGOBKWVFJB-UHFFFAOYSA-N 222.288 2.927 0 40 BFAB CCC[C@H]1CCNC[C@H]1Nc1ccccc1 257314381 UWRWRZCURDKVLS-GXTWGEPZSA-N 218.344 2.877 0 40 BFAB Fc1cnc(O[C@H]2CCc3ccccc32)nc1 585651082 KALGQPGNPIOTAV-LBPRGKRZSA-N 230.242 2.682 0 40 BFAB Cc1cccc(N2C(=O)S[C@@H](C)C2=O)c1 1318853 MDYMMJLUNZZXGB-QMMMGPOBSA-N 221.281 2.583 0 40 BFAB Nc1ccnn1Cc1ccc(Cl)cc1Cl 4218779 NQYSFJUBWFLIMB-UHFFFAOYSA-N 242.109 2.820 0 40 BFAB CCc1cccc(NC(=O)c2cccnc2)c1 5477420 IYCWICNZCXTFHN-UHFFFAOYSA-N 226.279 2.896 0 40 BFAB Cc1ccc(-c2ncc(/C=C/C(=O)O)cn2)cc1 8731011 DRXFWHQQXOWBBR-QPJJXVBHSA-N 240.262 2.550 0 40 BFAB CC(C)(C)c1csc(CC2CCNCC2)n1 11884034 PCCPFHSABLIORN-UHFFFAOYSA-N 238.400 2.983 0 40 BFAB c1ccc(Sc2ncnc3nc[nH]c23)cc1 13608565 CTDPZFBZKUUAED-UHFFFAOYSA-N 228.280 2.504 0 40 BFAB in-vivo CCCC(=O)N1C[C@@]2(C)C[C@@H]1C(C)(C)C2 16636929 APEQZUHJVORQHD-MFKMUULPSA-N 209.333 2.824 0 40 BFAB c1ccc2c(c1)CC[C@]1(CCCNCC1)O2 19375291 WJFMZRINBAXIJB-AWEZNQCLSA-N 217.312 2.524 0 40 BFAB C[C@H]1CCCCN1c1ccc(F)cc1N 19868032 LVYNPHQIJBOKOQ-VIFPVBQESA-N 208.280 2.787 0 40 BFAB CC[C@H](C)[C@H](N)CN1CCCCCCC1 20266209 YNWDMNUQHPRGFR-QWHCGFSZSA-N 212.381 2.626 0 40 BFAB Cc1cc(C(=O)NCC2CC2)c2ccccc2n1 26203560 NEOXFQDLIRFPEG-UHFFFAOYSA-N 240.306 2.683 0 40 BFAB Nc1[nH]nc(C(F)(F)F)c1-c1cccc(F)c1 26511537 JUFSEVKJDKOZTM-UHFFFAOYSA-N 245.179 2.817 0 40 BFAB O=C(C[C@H]1C=CCC1)Nc1ccc2c(c1)CCO2 27127480 UOBMCIPNJMZPAW-NSHDSACASA-N 243.306 2.916 0 40 BFAB CC1(C)CO[C@H](c2ccccc2Cl)N1 31638388 RICFQRVXDUZKTL-SNVBAGLBSA-N 211.692 2.737 0 40 BFAB COC(=O)c1cnc2cc(Cl)ccc2c1 34583787 NVCYUPDSDHADTA-UHFFFAOYSA-N 221.643 2.675 0 40 BFAB CC(C)CCNC(=O)c1ccc2c(ccn2C)c1 36369902 GGNCABAOHSHUAX-UHFFFAOYSA-N 244.338 2.954 0 40 BFAB biogenic FC(F)(F)c1ccc2[nH]c(Cl)nc2n1 38235244 ZTIJYIRVMYKTRR-UHFFFAOYSA-N 221.569 2.630 0 40 BFAB O=C(c1ccoc1)N1CCC[C@@H](C(F)(F)F)C1 40480992 VHMFDHKEXYWMSB-SECBINFHSA-N 247.216 2.694 0 40 BFAB COc1ccc(-c2c(N)cccc2C(=O)O)cc1 40564438 CPNQZWZBQLDUTI-UHFFFAOYSA-N 243.262 2.643 0 40 BFAB Cc1cc(C)cc(C(=O)C[C@@H](C)C(=O)O)c1 43214130 COYIRJYVWHGOAE-SNVBAGLBSA-N 220.268 2.597 0 40 BFAB CCCCC(=O)N[C@@H]1CCC[C@H]1SCC 79000991 HZLDLDHVDWJODZ-GHMZBOCLSA-N 229.389 2.967 0 40 BFAB Clc1ccc(-c2cc3n(c2)CCNC3)cc1 82343794 OSTJWIOXMAVLQX-UHFFFAOYSA-N 232.714 2.912 0 40 BFAB COCC1CCN(C[C@H]2CC=CCC2)CC1 93103478 XHMHMTHSZOGRKO-ZDUSSCGKSA-N 223.360 2.701 0 40 BFAB CS[C@H]1CCCC[C@H]1NC1CC=CC1 95423767 ZDGZZNRXKRGJDS-NEPJUHHUSA-N 211.374 2.969 0 40 BFAB FC(F)c1nc(Cl)c2c(ncn2C2CC2)n1 96529532 FKMYCUZJBJGDDS-UHFFFAOYSA-N 244.632 2.752 0 40 BFAB Cc1ncccc1CN(C)[C@@H](C)c1ccncc1 97113697 TXTLUMJKZWBFLT-ZDUSSCGKSA-N 241.338 2.978 0 40 BFAB COc1ccnc(NCC[C@H]2C[C@H]3CC[C@H]2C3)n1 107335854 VNPGLCDAJSCHTE-SRVKXCTJSA-N 247.342 2.723 0 40 BFAB CC(C)(C)OC(=O)N[C@H]1C[C@@H]1c1ccc(N)cc1 166373888 SUYAPBUIUDTGLR-NEPJUHHUSA-N 248.326 2.649 0 40 BFAB CCCC[C@@H]1C[C@@H](OCCC(C)C)CN1 217859999 UJINNRHMHFIPSU-CHWSQXEVSA-N 213.365 2.970 0 40 BFAB S=C(Nc1ccncc1)N[C@@H]1C[C@@H]2CC[C@@H]1C2 225325030 XWNMYFCNWPYUGI-CKYFFXLPSA-N 247.367 2.557 0 40 BFAB CCC[n+]1cccc(-c2nc3ccccc3[nH]2)c1 226774448 JNIMEYOMYFDPCT-UHFFFAOYSA-N 238.314 2.927 0 40 BFAB Oc1ccnc2c(Br)c(F)ccc12 242722740 XTHPYQNERPFFQU-UHFFFAOYSA-N 242.047 2.842 0 40 BFAB COC(=O)c1[nH]ccc1-c1ccccc1F 258226348 YEBJIFGETFWJMH-UHFFFAOYSA-N 219.215 2.607 0 40 BFAB CO[C@H](NC(=O)c1ccccc1)c1ccccc1 32166 SMGKQBBUCCCFBY-HNNXBMFYSA-N 241.290 2.762 0 40 BFAB CC(C)OC(=O)NC(=O)c1ccc(Cl)cc1 108042 WKNOXQAMZZEBFY-UHFFFAOYSA-N 241.674 2.615 0 40 BFAB CCN(C(=S)S)C1CCCCC1 2510340 LAYHGEVCXKHWPT-UHFFFAOYSA-N 203.376 2.856 0 40 BFAB CC/C=C\C[C@@H]1C(=O)CC[C@@H]1CC(=O)OC 4975334 GEWDNTWNSAZUDX-KWKBKKAHSA-N 224.300 2.501 0 40 BFAB in-vitro Cc1cccc(NC(=S)NC(C)C)c1 7521811 KNBCKHVYTWTTCJ-UHFFFAOYSA-N 208.330 2.690 0 40 BFAB O=C(NCc1ccco1)c1cc2ccccc2[nH]1 7910634 NYJUJGCZPDOYJC-UHFFFAOYSA-N 240.262 2.691 0 40 BFAB Cc1ccc(NC(C)(C)C(=O)O)c(C)c1 8702862 CZHZZVHDENYOFP-UHFFFAOYSA-N 207.273 2.579 0 40 BFAB CC(C)(C)N1CCO[C@@H](COc2ccccc2)C1 14982336 VHPLFQLDULGLNL-CQSZACIVSA-N 249.354 2.565 0 40 BFAB Nc1cc(Cl)cc(OC(F)(F)F)c1 15442478 LGCOAKFQLUXQAB-UHFFFAOYSA-N 211.570 2.821 0 40 BFAB in-vitro NCc1ccc(OCc2cccc(F)c2)cc1 20281905 DLQRSGVKMVGZLB-UHFFFAOYSA-N 231.270 2.863 0 40 BFAB in-vitro CCN(Cc1ccccc1)C[C@H]1CCCCN1 20486664 RWSFSWBSRODXRJ-OAHLLOKOSA-N 232.371 2.651 0 40 BFAB Cc1ccc(NC(=O)c2occc2C)nc1 21877240 FFCYMHRANKSPKF-UHFFFAOYSA-N 216.240 2.544 0 40 BFAB CC(C)CNC(=O)c1cc(-c2ccccc2)on1 32196856 BBASGMJZZYPHGP-UHFFFAOYSA-N 244.294 2.727 0 40 BFAB O=C(C1CC1)N1CCC[C@@H]1Cc1ccccc1 32901489 HMPOKJFXUUEASB-CQSZACIVSA-N 229.323 2.630 0 40 BFAB COC(=O)[C@@H](C)Sc1ccc(Cl)cc1 34409303 LMMPYODKIVQSLD-SSDOTTSWSA-N 230.716 2.994 0 40 BFAB Cc1nc(N)sc1Cc1ccc(F)c(F)c1 35250889 FRNWPKZVPFDIJI-UHFFFAOYSA-N 240.278 2.903 0 40 BFAB COC(=O)CCCOc1ccccc1Cl 37286737 FXWXPNRAVQZYKN-UHFFFAOYSA-N 228.675 2.672 0 40 BFAB O=C(NCCc1cccs1)Nc1cccnc1 40474234 CGBHLACCKRNFOJ-UHFFFAOYSA-N 247.323 2.507 0 40 BFAB CC(C)CN(CC(C)C)C[C@H]1CCCCN1 42034604 IJDXGAVNCZTKGD-CQSZACIVSA-N 226.408 2.743 0 40 BFAB CCCN(CCOC)Cc1cccs1 47699213 OUGHMYJFBRBHQD-UHFFFAOYSA-N 213.346 2.607 0 40 BFAB Cc1cccc(NCCc2n[nH]c(C(C)C)n2)c1 62719189 RWRRDXJZEIGFSS-UHFFFAOYSA-N 244.342 2.891 0 40 BFAB O=C(N[C@@H]1CCCOc2ccccc21)C1CCC1 69515129 YHHABJQIFWCFDG-CYBMUJFWSA-N 245.322 2.817 0 40 BFAB CC(C)(C)NC(=O)c1ccc(Cl)nc1Cl 71781942 HAOQVMZSAHIIRY-UHFFFAOYSA-N 247.125 2.917 0 40 BFAB Fc1cc2nc[nH]c2cc1C(F)(F)F 76940885 QYZXNFOTENWSMR-UHFFFAOYSA-N 204.126 2.721 0 40 BFAB Clc1cc([C@@H]2CCCN2)cnc1Cl 84250070 JGWPQSQEOKMDPJ-QMMMGPOBSA-N 217.099 2.813 0 40 BFAB CCC[C@@H](C)NC(=O)[C@@H](C)N(C)CC(C)(C)C 84740189 WQICVBLPOZPUFJ-VXGBXAGGSA-N 242.407 2.658 0 40 BFAB COCCSc1ncnc2cccc(F)c12 89420249 YUFLDKUUYANNFX-UHFFFAOYSA-N 238.287 2.507 0 40 BFAB Cc1cccc(C(=O)N2C[C@H]3CCCC[C@H]3C2)n1 89688904 BSURRNXSKZQMQS-BETUJISGSA-N 244.338 2.652 0 40 BFAB CC1=CCC[C@H](C)[C@H]1CNC[C@@H]1CCCO1 95986275 GRUXOBZAZYLTME-IHRRRGAJSA-N 223.360 2.747 0 40 BFAB C[C@H]1CC[C@@]23[C@@H]1C[C@H](C[C@H](O)[C@@]2(C)O)C3(C)C 104097615 FEZBVLJUJBICLN-XGTBMDPHSA-N 238.371 2.581 0 40 BFAB c1cc(C[C@@H]2CCCN(C3CCCC3)C2)[nH]n1 205691714 HYPQWRFAILYTRL-LBPRGKRZSA-N 233.359 2.607 0 40 BFAB CC(=O)Nc1cc(N2CCCCC2)c(C)cc1N 216864063 UJBSXNCQDADSLQ-UHFFFAOYSA-N 247.342 2.526 0 40 BFAB Cc1ccc(N[C@H]2CCCC[C@@H]2N)cc1C 218860011 WTWZUOPSTOLTDY-KBPBESRZSA-N 218.344 2.985 0 40 BFAB CC(C)c1ccc(N(C)[C@@H](C)C(=O)O)cc1 224985488 VYKFGRJUMULKMU-JTQLQIEISA-N 221.300 2.719 0 40 BFAB c1ccc2c(c1)CCC[C@@H]2Oc1cnccn1 585655270 ZQVRHDDSPFEFEV-ZDUSSCGKSA-N 226.279 2.933 0 40 BFAB C[C@H](Nc1cnn2c1CCCC2)c1ccoc1 631713403 NWGRYMDEAVUOAP-JTQLQIEISA-N 231.299 2.986 0 40 BFAB CCc1c(C(C)C)[nH]c2cc(O)ccc2c1=O 685938826 ZXHSAXDMGFHVRK-UHFFFAOYSA-N 231.295 2.920 0 40 BFAB CC(=O)Nc1sc(C)c(C)c1C(C)=O 40138 RERSQDRZDBHETN-UHFFFAOYSA-N 211.286 2.526 0 40 BFAB COc1ccccc1C(=O)Nc1ncccc1C 341645 YAMGVYVDVCUPQK-UHFFFAOYSA-N 242.278 2.651 0 40 BFAB O=C1c2ccccc2CN1c1ccc(O)cc1 1639172 NDERTONLGOTDER-UHFFFAOYSA-N 225.247 2.553 0 40 BFAB CC(=O)Oc1cccc(C(F)(F)F)c1 2575715 CBAIJJMMUDSHOD-UHFFFAOYSA-N 204.147 2.631 0 40 BFAB CC(=O)CCc1ccc(OC(F)F)cc1 3246463 ABLIXIYSRZALED-UHFFFAOYSA-N 214.211 2.810 0 40 BFAB Cc1ccc(CCC2CCNCC2)cc1 4312832 UAMOWMWECFNJHB-UHFFFAOYSA-N 203.329 2.927 0 40 BFAB in-vitro COc1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1Cl 5463863 NFJNXCKNGOHUAQ-VXNVDRBHSA-N 239.702 2.943 0 40 BFAB CCCCCC[C@](C)(OC(C)=O)C(C)=O 5524207 YNLFQNOWAAUHIE-LBPRGKRZSA-N 214.305 2.868 0 40 BFAB CC(C)C[C@H]1N=C(OCc2ccccc2)OC1=O 5716359 XYXGMKISONCBJW-GFCCVEGCSA-N 247.294 2.531 0 40 BFAB C[C@H]1C[C@@H](N)CC[C@H]1C[C@H]1CC[C@H](N)C[C@H]1C 6795151 NTGJOYPFNABNES-DEPYFDJDSA-N 238.419 2.904 0 40 BFAB CCNC(=O)CNc1cc(Cl)cc(Cl)c1 10029075 IAHBZCRHQCSXGO-UHFFFAOYSA-N 247.125 2.541 0 40 BFAB COc1ccc(C(=O)c2cccc(N)c2)cc1 11757548 GHHYIYWROJLOLU-UHFFFAOYSA-N 227.263 2.508 0 40 BFAB CCCCCNC(=O)COc1ccc(C)c(C)c1 14396928 PWOSBNUCBYAGDD-UHFFFAOYSA-N 249.354 2.989 0 40 BFAB CCC(=O)CC(=O)c1ccc(F)cc1F 20375442 UWKSEVJQSIKDJJ-UHFFFAOYSA-N 212.195 2.517 0 40 BFAB CCCc1nn(-c2ccccn2)c(N)c1CCC 26512237 BDOKIFYZAIDBKQ-UHFFFAOYSA-N 244.342 2.755 0 40 BFAB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCC2CC2)o1 27467269 GZZFZYWRWCYFPS-FOSUXSCJSA-N 245.322 2.942 0 40 BFAB CCCCNC(=O)N[C@@H]1CCc2ccccc21 32851140 BQZJCAUBVJAFKT-CYBMUJFWSA-N 232.327 2.773 0 40 BFAB Cc1csc(NC(=O)CCC(C)C)n1 33000722 IUJDALHBIPZIEA-UHFFFAOYSA-N 212.318 2.826 0 40 BFAB CC(C)(C)CC(C)(C)N1CCC(=O)CC1 39366419 WGYFUGINWFILPB-UHFFFAOYSA-N 211.349 2.866 0 40 BFAB CC(C)CO[C@H](C)C(=O)Nc1cccc(F)c1 40521079 RAWADCJCELJGSK-SNVBAGLBSA-N 239.290 2.825 0 40 BFAB CCN(CC)CCC[C@H](C)NC1CCC1 44480038 QIGKIXXJINOCQP-LBPRGKRZSA-N 212.381 2.639 0 40 BFAB CCCCC(=O)Nc1c(F)cccc1C(=O)O 44965660 GEPHITMCRFRPBM-UHFFFAOYSA-N 239.246 2.653 0 40 BFAB CNC[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F 54588437 WODRRYTVGGJGFF-WCBMZHEXSA-N 245.244 2.908 0 40 BFAB CC(=O)c1ccc(-n2cccn2)c(Cl)c1 59783004 RRBPRVGMNKFFKN-UHFFFAOYSA-N 220.659 2.728 0 40 BFAB C[C@H](N)CCc1ccccc1C(F)(F)F 70453359 GSLMXPIXCJPTHK-QMMMGPOBSA-N 217.234 2.985 0 40 BFAB Cc1ccncc1NC(=O)c1cccs1 71847599 BKKHFBCIOCWQAV-UHFFFAOYSA-N 218.281 2.704 0 40 BFAB CCC[C@H](OC)c1ccc(CC(=O)OC)cc1 72220177 CCAPUYAGVDRYBN-ZDUSSCGKSA-N 236.311 2.890 0 40 BFAB C[C@@H](c1nc(-c2ccsc2)no1)n1ccnc1 78773706 QRTCFHIKCZISKD-QMMMGPOBSA-N 246.295 2.604 0 40 BFAB O=C(CC(=O)c1ccco1)c1ccccc1 95097410 NDGWHQSOYIQHAS-UHFFFAOYSA-N 214.220 2.735 0 40 BFAB C[C@@H]1CCN(C(=O)Nc2cccnc2)[C@H](C)C1 95400066 GJLGBBVJBBFWQW-GHMZBOCLSA-N 233.315 2.734 0 40 BFAB CCCc1nnc(N2C[C@@H]3CCC[C@H]3C2)s1 95418479 IVBVSDGWEYAZEH-UWVGGRQHSA-N 237.372 2.727 0 40 BFAB FC(F)(F)CNc1c(Cl)ncnc1Cl 96511268 RVWIFILIYVNPOF-UHFFFAOYSA-N 246.019 2.758 0 40 BFAB CC1=CCC[C@@H](C)[C@@H]1CNCCc1nccn1C 97098945 KSDLLYUGTCHCJN-ZIAGYGMSSA-N 247.386 2.545 0 40 BFAB Cc1nc(C(F)(F)F)ccc1-c1ccn[nH]1 97442081 RCKYMLNMOJRDGD-UHFFFAOYSA-N 227.189 2.799 0 40 BFAB Nc1cc2c(cc1Br)CCC2 98095579 SZFFECLZIYWBBD-UHFFFAOYSA-N 212.090 2.520 0 40 BFAB in-vitro CC(=O)NC12CC3C[C@@H]4C5CC(C[C@@H]41)C[C@H]2[C@@H]5C3 100014026 XADNPTMHMQGTJZ-QTHKPOMJSA-N 245.366 2.583 0 40 BFAB CCOC(=O)/C=C1\CSc2ccccc2N1 100213123 ZVUNXUBYWPNSIE-VQHVLOKHSA-N 235.308 2.651 0 40 BFAB Cc1cccc(N(C)C(=O)[C@H]2C[C@H]3C=C[C@H]2C3)n1 102729181 OLRPNVQKOBNAPU-AVGNSLFASA-N 242.322 2.565 0 40 BFAB CCCC(=O)[C@H](C)C(=O)c1cccs1 104716685 SRDDIXRFJWSDIL-QMMMGPOBSA-N 210.298 2.936 0 40 BFAB COc1c(N)cccc1C(=O)c1ccccc1 122358986 UPGAKAFGKWYCOB-UHFFFAOYSA-N 227.263 2.508 0 40 BFAB C[C@H]1CC(=O)c2cnn(-c3cccc(F)c3)c2C1 199732561 KCOVMSQCOMRDBK-SECBINFHSA-N 244.269 2.776 0 40 BFAB CP(C)(=O)c1ccccc1Br 200111383 SHEGZFCMBWOUCJ-UHFFFAOYSA-N 233.045 2.697 0 40 BFAB Cc1nc(-c2nnc(-c3ccccc3F)o2)co1 216605851 ZBZMCQOUBRFITG-UHFFFAOYSA-N 245.213 2.839 0 40 BFAB CCCNCCC[C@H]1CCCN1CCC 218328134 UBCYHLFYMMRJIV-ZDUSSCGKSA-N 212.381 2.641 0 40 BFAB CCOC(=O)Cc1c[nH]c2c(Cl)cccc12 222461501 YWPGNCQEWLASGC-UHFFFAOYSA-N 237.686 2.927 0 40 BFAB CCCNC(=O)c1ccc(NC(C)(C)C)c(N)c1 225408318 VYBIQWNYAXHBLU-UHFFFAOYSA-N 249.358 2.619 0 40 BFAB CC(C)c1nnc(N2C[C@@H]3CCC[C@H]3C2)s1 301749058 HRNJUPABYDYXIG-UWVGGRQHSA-N 237.372 2.898 0 40 BFAB CC1(C)N=C(c2ccccc2)C(C)(C)N1O 56714 CVWOZKTYHKOFFX-UHFFFAOYSA-N 218.300 2.695 0 40 BFAB O[C@H](c1ccco1)c1nccc2ccccc12 564644 HAOHDEQITLWMIZ-CQSZACIVSA-N 225.247 2.910 0 40 BFAB O=C1[C@H]2CCC[C@@H]1[C@@H](N1CCCCC1)CC2 586436 RVZATTSXQJHIRB-XQQFMLRXSA-N 221.344 2.620 0 40 BFAB CCOc1cc(C(=O)O)ccc1OC(C)C 1476181 JFDSVALOUSIPSC-UHFFFAOYSA-N 224.256 2.571 0 40 BFAB biogenic O=C(O)c1ccc(-c2nccs2)s1 2458580 JOQDQGHUGZODMF-UHFFFAOYSA-N 211.267 2.570 0 40 BFAB COC(=O)C[C@@H](c1ccccc1)N1CCCCC1 3636767 OCCNZNNZMQOPKT-AWEZNQCLSA-N 247.338 2.777 0 40 BFAB CCCNC(=O)/C=C/c1ccccc1Cl 5591218 HBUBRCCMXNCCGN-BQYQJAHWSA-N 223.703 2.879 0 40 BFAB CCCNC(=S)Nc1ccc(F)c(F)c1 6332943 LBCRBBMNCSCBRI-UHFFFAOYSA-N 230.283 2.661 0 40 BFAB N[C@@H](COc1ccccc1)Cc1ccccc1 6580748 BOIUINRGZLZISQ-CQSZACIVSA-N 227.307 2.635 0 40 BFAB Cc1cc(C)cc(OC(=O)c2snnc2C)c1 8673518 UURFXEUROXMKAN-UHFFFAOYSA-N 248.307 2.683 0 40 BFAB Nc1n[nH]c2cc(-c3ccccc3)ccc12 8733638 JVRYRQAVZOZLTL-UHFFFAOYSA-N 209.252 2.812 0 40 BFAB C[C@H]1CNC[C@@H](C)N1c1cccc(Cl)c1 11632661 QMAUYBSZLQHJBV-AOOOYVTPSA-N 224.735 2.527 0 40 BFAB CC(C)c1ccc(O[C@@H]2CCNC2)cc1 14632241 OIJKMXCBZFMSIS-CYBMUJFWSA-N 205.301 2.551 0 40 BFAB in-vitro CC1=NC(C)=NP(O)(Oc2ccccc2)=N1 17126735 YESWGKOAGIEUJR-UHFFFAOYSA-N 237.199 2.854 0 40 BFAB O=C(Nc1ccnc2ccccc12)c1ccncc1 18192359 HWHZGIHPLDCWKD-UHFFFAOYSA-N 249.273 2.882 0 40 BFAB CNCCCc1ccc(Br)cc1 19785256 VWLZLDJXIKGKFJ-UHFFFAOYSA-N 228.133 2.601 0 40 BFAB Cc1nc(N)sc1Cc1ccsc1 20380913 YYADRVZDLCDKBS-UHFFFAOYSA-N 210.327 2.686 0 40 BFAB CC(C)CNC(=O)c1cn(C)c2ccccc12 20901395 JXIRXRYYVVDLET-UHFFFAOYSA-N 230.311 2.564 0 40 BFAB C1CCN(CCN2C[C@H]3CCCC[C@H]3C2)CC1 23480219 ZKWFBCHWGRBOMO-GASCZTMLSA-N 236.403 2.594 0 40 BFAB COc1ccc(NC(=O)CC[C@@H]2CCCO2)cc1 31872742 YBIXUMCZGAOIEF-ZDUSSCGKSA-N 249.310 2.593 0 40 BFAB COC(=O)c1c[nH]cc1-c1ccc(C)cc1 39149765 HXBXYFBJILFUBH-UHFFFAOYSA-N 215.252 2.777 0 40 BFAB CCC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 41285189 SDXDPFJADRSXOW-SNVBAGLBSA-N 241.331 2.613 0 40 BFAB Brc1ccc(OC2CCC2)nc1 44121734 ZNLVTTXXVBKWTR-UHFFFAOYSA-N 228.089 2.775 0 40 BFAB C[C@@H](Cc1ccco1)NC(=O)Oc1ccccc1 44443807 IOMOYRADBPKFHG-NSHDSACASA-N 245.278 2.999 0 40 BFAB COc1ncccc1NC(=O)NC1CCCCC1 48414564 NEPIWLVDAOBTOB-UHFFFAOYSA-N 249.314 2.544 0 40 BFAB CCCCNC(=O)Nc1ccc(OC)c(F)c1 48450906 HGIJSCPZOHLUDW-UHFFFAOYSA-N 240.278 2.756 0 40 BFAB CCC(=O)c1ccccc1NC(=O)C1CC1 67340219 JMLDEDSWERLGHY-UHFFFAOYSA-N 217.268 2.628 0 40 BFAB CC[C@H](COC)N[C@@H](C)C1CCCCC1 70656771 BOIHZOOPSADPLT-WCQYABFASA-N 213.365 2.970 0 40 BFAB CNC(=O)[C@@H](C)Cc1cccc(C(F)(F)F)c1 71915453 WSSNZDYNJDYHRX-QMMMGPOBSA-N 245.244 2.630 0 40 BFAB O[C@H]1CCN(Cc2cc(Cl)ccc2Cl)C1 72203665 KFFYBXDRTKRBKZ-JTQLQIEISA-N 246.137 2.560 0 40 BFAB CC(=O)N1CCCC[C@@H]1c1ccc(Cl)nc1 72211477 PKYQGSWXBYEAEY-LLVKDONJSA-N 238.718 2.809 0 40 BFAB COC(=O)c1ccc(-c2cc(F)ccc2OC)[nH]1 72226041 KDCNGZMNOLPBLL-UHFFFAOYSA-N 249.241 2.616 0 40 BFAB Cc1ccc(Br)cc1[C@@H](C)O 77306798 WYFCLJSIQYAEOX-SSDOTTSWSA-N 215.090 2.811 0 40 BFAB C[C@H](C(=O)NCc1cccnc1)c1ccccc1 85423504 CEMXPTOUQBROST-LBPRGKRZSA-N 240.306 2.502 0 40 BFAB Cc1cnn(Cc2ccn(C3CCCC3)n2)c1 89702521 HCNZFULRTHRUSE-UHFFFAOYSA-N 230.315 2.551 0 40 BFAB CC(C)(C)OC(=O)N1CCCC[C@@H]1CCCO 91297548 YSNHXIMXFKYGEZ-LLVKDONJSA-N 243.347 2.549 0 40 BFAB Cc1c(C(=O)O)csc1Br 95883648 GUDPKPJDKHTKEI-UHFFFAOYSA-N 221.075 2.517 0 40 BFAB in-vitro Fc1ccc(CNc2nc(C3CC3)no2)cc1 95960404 SPXIQFBFHBHGNU-UHFFFAOYSA-N 233.246 2.698 0 40 BFAB FC(F)(F)Sc1cccnc1S 96308572 ULBSDYIZNUWBKB-UHFFFAOYSA-N 211.233 2.982 0 40 BFAB Cc1c(N(C)C)c(C)c(N(C)C)c(C)c1N(C)C 96319138 CKEFHFXXICPIIO-UHFFFAOYSA-N 249.402 2.810 0 40 BFAB CC1=CCC[C@H](C)[C@H]1CNCCc1nccn1C 97098943 KSDLLYUGTCHCJN-KBPBESRZSA-N 247.386 2.545 0 40 BFAB CCC(=O)[C@H]1C(=O)[C@]2(C)CC[C@@H]1C2(C)C 100672461 DQYYHKHSFKGKOZ-FWDPORAESA-N 208.301 2.607 0 40 BFAB COc1ccc(C(F)(F)F)c(C)c1C(=O)O 116456180 MIGJYZDDLQQNHR-UHFFFAOYSA-N 234.173 2.721 0 40 BFAB COC(=O)c1cccn1-c1ccc(C)cc1C 223723590 MLEVLVBKXARSMG-UHFFFAOYSA-N 229.279 2.881 0 40 BFAB CCOCSc1ncnc2ccsc12 225583436 UGDMUEXXHKEQRI-UHFFFAOYSA-N 226.326 2.777 0 40 BFAB Cc1ccc(F)cc1NC(=O)Cc1cccnc1 334365417 HTFAPADDUGEMON-UHFFFAOYSA-N 244.269 2.710 0 40 BFAB O=C(Nc1ccncc1)c1cccc(Cl)c1 383597 AGEMHBDIONALQA-UHFFFAOYSA-N 232.670 2.987 0 40 BFAB CCCCC[C@H]1[C@H](O)CC[C@@H]1CC(=O)OC 2105710 DZWZEZICFCEJOT-IJLUTSLNSA-N 228.332 2.517 0 40 BFAB CCOP(=O)(OCC)c1ccc(C)cc1 2560651 GAPPVLJOQUCQIB-UHFFFAOYSA-N 228.228 2.886 0 40 BFAB CCOC(=O)[C@H]1CC=CC[C@H]1c1cccnc1 2570250 ATAHZGDGVWUBCW-STQMWFEESA-N 231.295 2.695 0 40 BFAB Nc1nnc(-c2cccc(C(F)(F)F)c2)s1 3716761 OWEVQLAGEVSZQL-UHFFFAOYSA-N 245.229 2.806 0 40 BFAB in-vitro CC(=O)c1ccc(NC(=O)CC(C)C)cc1 5384154 VCCOOXHDDPOVCX-UHFFFAOYSA-N 219.284 2.874 0 40 BFAB Nc1ccc(SCc2cccnc2)cc1 5571786 MMBPOQASTKXFCX-UHFFFAOYSA-N 216.309 2.956 0 40 BFAB in-vitro C[C@@H]1CCO[C@H](/C=C/c2ccccc2)O1 6030939 LSEPTNAIKXLPFK-HOVLTTNMSA-N 204.269 2.851 0 40 BFAB c1cc(CNc2ncnc3sccc23)ccn1 6347237 NGOZMNRCPXTIAH-UHFFFAOYSA-N 242.307 2.698 0 40 BFAB COC(=O)c1cc(-c2ccc(C(C)C)cc2)n[nH]1 6750910 CQTNGBMBABIPSI-UHFFFAOYSA-N 244.294 2.987 0 40 BFAB C[C@@H]1Cc2cc(Br)ccc2N1 8764201 NSBOZWGQLGHLQZ-ZCFIWIBFSA-N 212.090 2.806 0 40 BFAB in-vitro CCCCc1nc2sc3c(c2c(=O)[nH]1)CCC3 8772743 BTVABVVRLVTNBX-UHFFFAOYSA-N 248.351 2.816 0 40 BFAB CC[C@@H](C)NC(=O)c1cc2cc(F)ccc2[nH]1 13003350 WGGPCXMDGOWDJU-MRVPVSSYSA-N 234.274 2.835 0 40 BFAB COC(=O)CCSCc1cccc(C)c1 16970798 OOIIGWMOPXZILJ-UHFFFAOYSA-N 224.325 2.791 0 40 BFAB C1CCC(N2CCN([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)C1 19831959 DNNZFCPRPFOCHG-SQWLQELKSA-N 248.414 2.735 0 40 BFAB CCn1cc(NCc2cccc(F)c2F)cn1 20350424 OJRRRCZGVMGPFH-UHFFFAOYSA-N 237.253 2.793 0 40 BFAB NCc1cccc(NC(=O)c2ccc(F)cc2)c1 22144889 BXXGLZQHWVCWBM-UHFFFAOYSA-N 244.269 2.537 0 40 BFAB O=C(NC1CCCC1)C1(c2ccccc2)CC1 23239184 XNSZKEQXXIMOFE-UHFFFAOYSA-N 229.323 2.777 0 40 BFAB Cc1cccc(C(=O)N[C@@H](C)c2cccs2)n1 24909446 CZVPWSXNWGXSMQ-JTQLQIEISA-N 246.335 2.943 0 40 BFAB c1ccc(OCCNc2ccncc2)cc1 28754772 OUDDALRJFQCFQF-UHFFFAOYSA-N 214.268 2.573 0 40 BFAB in-vitro Cc1cc(C)c(C(=O)O)cc1Br 32224729 GQDYGQDSEFKPQO-UHFFFAOYSA-N 229.073 2.764 0 40 BFAB in-vitro CCCC(=O)Nc1ccc2ccccc2n1 32731944 AUGVANPBWQRQIN-UHFFFAOYSA-N 214.268 2.973 0 40 BFAB Cc1ccc(C)c(Cn2ccnc2C)c1 41210336 GSWOUURUFYRFHF-UHFFFAOYSA-N 200.285 2.857 0 40 BFAB CC[C@@H](CN)Oc1ccccc1C(F)(F)F 43541399 BWMLJEFNVFTVRC-QMMMGPOBSA-N 233.233 2.822 0 40 BFAB in-vitro CCC(=O)[C@H]1C[C@H](C(C)(C)C)CCC1=O 43651712 UUOALHMQTJPKOY-NXEZZACHSA-N 210.317 2.997 0 40 BFAB Cc1ccnc(C(=O)c2ccccc2C)c1 45028591 VZBYXBQZFAXHPE-UHFFFAOYSA-N 211.264 2.929 0 40 BFAB COCc1ccccc1NC(=O)C1CCCC1 46932769 KPSLLXIVNNEDIU-UHFFFAOYSA-N 233.311 2.962 0 40 BFAB CCC(CC)NC[C@H](C)C(=O)OC(C)(C)C 47219019 HWWFAJKUNKFCSR-JTQLQIEISA-N 229.364 2.742 0 40 BFAB COc1cccc(CC(C)(C)CC(=O)O)c1 49818819 WIOBJKISLAORQO-UHFFFAOYSA-N 222.284 2.739 0 40 BFAB in-vitro CC(C)NCc1ccc(N2CCC[C@H]2C)nc1 51398872 SCTJSXPMWCVPFZ-GFCCVEGCSA-N 233.359 2.568 0 40 BFAB NC/C=C/c1cccc(C(F)(F)F)c1 69050181 AWLSPPJDQNHMBX-DUXPYHPUSA-N 201.191 2.677 0 40 BFAB Cc1cc(CNC(=O)CC(C)(C)C)c(C)o1 70640328 WTMMWWHUAULDRE-UHFFFAOYSA-N 223.316 2.949 0 40 BFAB NCC1(c2cc(-c3cccs3)on2)CCC1 72220666 QKLUKHKQACNIDM-UHFFFAOYSA-N 234.324 2.784 0 40 BFAB Cc1ccc2nc(-c3cccs3)[nH]c(=O)c2c1 77257205 FUYXHSRHNVHODC-UHFFFAOYSA-N 242.303 2.960 0 40 BFAB CCCc1c(C=O)cc(C(C)=O)n1CCC 78404410 NIVMGQHHHBWALK-UHFFFAOYSA-N 221.300 2.866 0 40 BFAB Cc1cc(Cl)ccc1C1(C(=O)O)CC1 84477039 KJOUXBIGBPDTBT-UHFFFAOYSA-N 210.660 2.765 0 40 BFAB in-vitro C[C@@H](CO)Nc1cc2ccccc2c(Cl)n1 91013460 ZONBORXAZKRKDW-QMMMGPOBSA-N 236.702 2.681 0 40 BFAB Clc1cccc2c1NC[C@H](n1ccnc1)C2 95098164 QCNPJPPXYNWKAW-SNVBAGLBSA-N 233.702 2.746 0 40 BFAB CC(C)(C)OC(=O)Nc1nc(Cl)ccc1N 95635316 LAQDJVCVHQSFME-UHFFFAOYSA-N 243.694 2.664 0 40 BFAB in-vitro c1ccn2cc(CSC3CCOCC3)nc2c1 96484852 PICFBCARWRWVLO-UHFFFAOYSA-N 248.351 2.747 0 40 BFAB COc1cccc2c1[C@H]1[C@@H]3[C@H]4C=C[C@@H]4[C@H]2[C@H]13 101003257 YCSMNJDXPUOOSB-VGDUGWLJSA-N 210.276 2.938 0 40 BFAB CC(C)Oc1cc(F)c(F)cc1C=O 107368220 NRSSVCIHVMSODV-UHFFFAOYSA-N 200.184 2.565 0 40 BFAB CN1CCc2[nH]c3cc(Cl)ccc3c2C1 113242481 QYGUNKGNTGPWAX-UHFFFAOYSA-N 220.703 2.809 0 40 BFAB Cc1n[nH]c(C)c1[C@@H](C)c1nc(C(C)C)no1 195578674 QXIBARIUKMOWPV-SSDOTTSWSA-N 234.303 2.685 0 40 BFAB CCC/C=C/C=C/[C@H](CCC(=O)O)CC(=O)O 225420179 NNKOXHKCIDFKIK-ILMMAJNQSA-N 240.299 2.855 0 40 BFAB biogenic,in-vitro CCCCCNc1ccc(N)cc1C(=O)NCC 225491398 GTIAVFCHNBDCKX-UHFFFAOYSA-N 249.358 2.621 0 40 BFAB CC(C)Cn1nc(C=O)c2ccccc21 242750515 ZPKFUVYCFPXRCV-UHFFFAOYSA-N 202.257 2.505 0 40 BFAB CCn1nc(C)cc1NCc1cccc(OC)c1 256053772 STYXZTBIFGOTRB-UHFFFAOYSA-N 245.326 2.832 0 40 BFAB CC[C@H](C)n1cc(Br)c(COC)n1 408715143 BIOWPVFZAKEINE-ZETCQYMHSA-N 247.136 2.763 0 40 BFAB CCCCn1ccc(CO[C@@H](C)CC)n1 408715208 FVBPGCSDDHPAMR-NSHDSACASA-N 210.321 2.998 0 40 BFAB CC1CCC2(CC1)NC(=O)c1ccccc1N2 53628 NBMFQPOZZIGOFI-UHFFFAOYSA-N 230.311 2.748 0 40 BFAB S=C(NC1CC1)SCc1ccco1 2806325 QFCZWADENLJOQV-UHFFFAOYSA-N 213.327 2.550 0 40 BFAB CCc1ccc2c(CC(=O)O)coc2c1 3278201 MOTXOTFUYMRIER-UHFFFAOYSA-N 204.225 2.622 0 40 BFAB in-vitro O=C(Cc1ccccc1F)NCc1ccccc1 3412166 HNDWMAJSZJXKLW-UHFFFAOYSA-N 243.281 2.685 0 40 BFAB CC[C@@]1(C)C[C@@](CCN)(C(C)C)CCO1 4073250 IEYBMVZVJJBDIT-STQMWFEESA-N 213.365 2.957 0 40 BFAB biogenic CCC(C)(C)NC(=O)c1ccc(F)cc1 4681656 VGFVUJKZIGIQDL-UHFFFAOYSA-N 209.264 2.744 0 40 BFAB Cc1cc(NC(=O)c2ccc(Cl)cc2)n(C)n1 12443959 MYEAVTGQLWTVFV-UHFFFAOYSA-N 249.701 2.634 0 40 BFAB CCC(=O)Nc1cccc(NC(=O)[C@H]2C[C@@H]2C)c1 12986014 GKJVJRTYFDTSCO-CABZTGNLSA-N 246.310 2.630 0 40 BFAB Cc1ccc([S@](=O)NNc2ccccc2)cc1 17020584 APABCXVDTDHLCA-QGZVFWFLSA-N 246.335 2.634 0 40 BFAB COc1ccc2oc(C)c([C@@H](C)N)c2c1 20417465 QAYAKUAJCZVLEF-SSDOTTSWSA-N 205.257 2.770 0 40 BFAB in-vitro Nc1ccc(Cl)c(C(=O)Nc2cccnc2)c1 21968551 DZVLVQGJLCCQKE-UHFFFAOYSA-N 247.685 2.570 0 40 BFAB CCOC(=O)[C@H](C)Oc1cccc(Cl)c1 22637765 QBTRZKMVDQAIKG-QMMMGPOBSA-N 228.675 2.670 0 40 BFAB FC(F)(F)c1cccc([C@]23CNC[C@H]2C3)c1 27552941 QNUMSACSERBQDH-MNOVXSKESA-N 227.229 2.566 0 40 BFAB Cc1ccc(CNC(=O)c2ccc(F)cc2)o1 28228366 CHRNFNIDUVMGHL-UHFFFAOYSA-N 233.242 2.657 0 40 BFAB CC(C)(C)OC(=O)Nc1cncc(F)c1 39093660 BKYBFDYKYQPBIO-UHFFFAOYSA-N 212.224 2.568 0 40 BFAB COc1ccc2nc(C)cc(SCCN)c2c1 41105090 FFHBHGGRABWSOB-UHFFFAOYSA-N 248.351 2.603 0 40 BFAB CC(C)(C)c1ccc(C2=NNC(=O)CC2)cc1 41256276 RUEBHJXJLFNCNJ-UHFFFAOYSA-N 230.311 2.598 0 40 BFAB CCCNc1ncnc2c(F)cccc12 41471117 ZDKXOGOBGQVQDF-UHFFFAOYSA-N 205.236 2.591 0 40 BFAB CCCC(=O)CC(=O)c1ccc(C)cc1 42413595 VSRUMXKHHVKOEK-UHFFFAOYSA-N 204.269 2.937 0 40 BFAB Cc1ccc(F)cc1C(=O)CC(C)(C)C(=O)O 43214318 CJVKMHBZHYKNFP-UHFFFAOYSA-N 238.258 2.818 0 40 BFAB Cc1nc(Cl)cc(-c2cncs2)n1 44119189 ZZERMVPXBLHOHQ-UHFFFAOYSA-N 211.677 2.562 0 40 BFAB CC(C)CCC(=O)N1CCO[C@H]2CCCC[C@H]21 46488808 WHQLYCLIFYTQKW-OLZOCXBDSA-N 239.359 2.593 0 40 BFAB Cc1cc(NC(=O)Cc2ccc(Cl)cc2)[nH]n1 47555473 KIOHWSCXXZDWRC-UHFFFAOYSA-N 249.701 2.553 0 40 BFAB C[C@@H](N)c1cc(Cl)ccc1OC(F)F 50209077 ZFMBWLIOBWVWSF-RXMQYKEDSA-N 221.634 2.961 0 40 BFAB in-vitro CC(=O)[C@@H]1C[C@@H](c2ccc(Cl)cc2)OC1=O 57529507 GFSYYCBTKYIXJP-QWRGUYRKSA-N 238.670 2.533 0 40 BFAB Cc1c(Cl)cccc1NC(=O)c1ncccn1 62021844 ZIGNFXUSEYOINT-UHFFFAOYSA-N 247.685 2.691 0 40 BFAB Cc1ccccc1CN1CCC[C@](C)(C(=O)O)C1 62876673 QDUIEJIDJWGTIP-HNNXBMFYSA-N 247.338 2.682 0 40 BFAB C[C@](C(=O)O)(c1cccs1)N1CCCCC1 70453227 OSXLKYJHRIAACV-GFCCVEGCSA-N 239.340 2.534 0 40 BFAB CCCCCC[C@@H](C)NC(=O)NC1CC1 71795978 NYVZIXMRFYPVCH-SNVBAGLBSA-N 212.337 2.807 0 40 BFAB Nc1cc(F)cc(Br)c1Cl 91691920 YZGMWJRUAGKYER-UHFFFAOYSA-N 224.460 2.824 0 40 BFAB in-vitro CCCCN(C)Cc1ccc(C=O)cc1 95739695 FEVTUAOGRHYBEB-UHFFFAOYSA-N 205.301 2.731 0 40 BFAB COC[C@H](NC[C@@H]1CCCCO1)c1ccccc1 96491347 VVAMPJACESOZFF-GJZGRUSLSA-N 249.354 2.533 0 40 BFAB Nc1c(-c2ccccc2F)ncn1C1CC1 100761222 OBWQHDFMOORWFF-UHFFFAOYSA-N 217.247 2.606 0 40 BFAB O[C@H](c1ccccc1)[C@H]1C[C@H]2C=C[C@H]1C2 102934004 DJEJUNPYGYWALI-DOERSZECSA-N 200.281 2.932 0 40 BFAB COc1c(Cl)cc(C)c(C)c1C(=O)O 108330773 FEGHMSRBAWXAQL-UHFFFAOYSA-N 214.648 2.664 0 40 BFAB C[C@@H]1CCCCN1c1ccnc(C2CC2)n1 112963538 YXIJUPBGZSHHIM-SNVBAGLBSA-N 217.316 2.733 0 40 BFAB c1csc(CN2CCC[C@@H]2Cn2ccnc2)c1 188412842 WDEWCJZVBFTFHC-GFCCVEGCSA-N 247.367 2.609 0 40 BFAB CCCCc1cc(Br)on1 219772178 LERDNBVVDWVTDV-UHFFFAOYSA-N 204.067 2.780 0 40 BFAB Fc1cc(Br)cnc1NCC1CC1 228876690 RHNFTGALUOWDBG-UHFFFAOYSA-N 245.095 2.805 0 40 BFAB C[C@@H](OCc1cccc(Cl)c1)[C@H]1CO1 256052918 PEHMOSCALGMHIE-LDYMZIIASA-N 212.676 2.644 0 40 BFAB CC[C@@H]1CCCCN1c1nnc(C2CC2)o1 336162312 RTXCYOCKLBNWDZ-SNVBAGLBSA-N 221.304 2.716 0 40 BFAB CC[C@H](Cl)C(=O)c1ccc2c(c1)CCO2 382674497 KPAHQHUEJFZXLR-JTQLQIEISA-N 224.687 2.822 0 40 BFAB O=C(NCCCc1cc2ccccc2o1)C1CC1 390832192 XXLJOWSQLACUGF-UHFFFAOYSA-N 243.306 2.892 0 40 BFAB COC(=O)CCCC(=O)c1cc(F)ccc1C 575357451 LOHMSPRYROOSEJ-UHFFFAOYSA-N 238.258 2.660 0 40 BFAB CCOC(=O)[C@@]1(C/C=C(\C)Cl)CCCC1=O 1630014 VIWRVBZAJJBCCD-UVMWJGKXSA-N 244.718 2.822 0 40 BFAB CCCCCNC(=O)c1cccc(C)c1 1670469 DQFOMLXSBIEIBP-UHFFFAOYSA-N 205.301 2.915 0 40 BFAB Cc1csc(N[C@H]2OC(=O)c3ccccc32)n1 2482657 KJFCTLIMEXPYLM-JTQLQIEISA-N 246.291 2.733 0 40 BFAB CC[C@@H](C)NC(=O)CCc1ccccc1 3161301 BYDJCLVUFHDMRQ-LLVKDONJSA-N 205.301 2.534 0 40 BFAB CCc1ccc(CN2CCC(C(=O)O)CC2)cc1 3747672 PYPCGTJNQUYYKB-UHFFFAOYSA-N 247.338 2.546 0 40 BFAB CC(C)[C@@H]1O[C@@H](C(C)C)O[C@H]2OCCC[C@@H]12 4428904 UJXBOBIXMAERGY-WUHRBBMRSA-N 228.332 2.793 0 40 BFAB Cc1ccccc1COc1ccccc1C(N)=O 5346844 DDTGXGFYQUMQLU-UHFFFAOYSA-N 241.290 2.673 0 40 BFAB CC[C@H](C)C(=O)Nc1cccc(NC(C)=O)c1 5665500 ARVBRUYZYLJRKP-VIFPVBQESA-N 234.299 2.630 0 40 BFAB CCC[C@H](C)C(=O)Nc1ccc(N)cc1OC 8703539 SJOAGVSYWLQWDA-VIFPVBQESA-N 236.315 2.652 0 40 BFAB CCc1ccc(Cc2nnc(S)o2)cc1 8732345 SLTJHRAHKXQIRT-UHFFFAOYSA-N 220.297 2.512 0 40 BFAB Cc1ncc(-c2ccc(Cl)cc2)c(N)n1 11737091 LYKQKQGGANXOJD-UHFFFAOYSA-N 219.675 2.688 0 40 BFAB in-vitro CCc1ccccc1NC(=O)[C@H](C)n1cccn1 12849855 LAYCZZLNIAOMQG-NSHDSACASA-N 243.310 2.645 0 40 BFAB CC(C)[C@@H](N)c1nc2cccnc2n1C(C)C 15774323 DSXKPVFGUYCJMV-LLVKDONJSA-N 232.331 2.668 0 40 BFAB Cc1cc(=O)[nH]c2c(Br)cccc12 16979772 XYWCXYAAHSDBRF-UHFFFAOYSA-N 238.084 2.599 0 40 BFAB Cc1cc2cc3c(nc2cc1C)O[C@H](C)CNC3 19126616 PLPYCFIXJUQIDO-LLVKDONJSA-N 242.322 2.722 0 40 BFAB O=C(O)/C=C/c1ccnc2c(Cl)cccc12 19721600 WGGJQKJWPLYDTQ-SNAWJCMRSA-N 233.654 2.986 0 40 BFAB COc1ccc(C)cc1-n1cc[nH]c1=S 26422925 VUGMEEFTNYVHIM-UHFFFAOYSA-N 220.297 2.852 0 40 BFAB CCc1ccc(C(=O)Nc2cc(C)nn2C)cc1 40030714 GTNFWHRFFPWMLX-UHFFFAOYSA-N 243.310 2.543 0 40 BFAB CSc1ccccc1C(=O)CCCC(=O)O 43214201 VKIQIMWABFPHRI-UHFFFAOYSA-N 238.308 2.846 0 40 BFAB CCOc1cccc(C(=O)CCCC(=O)O)c1 43214202 UYYYENWWXXPKNK-UHFFFAOYSA-N 236.267 2.523 0 40 BFAB CCOC(=O)CCCCOCc1ccccc1 43503418 JDUWLFPVQJIKPK-UHFFFAOYSA-N 236.311 2.937 0 40 BFAB CC(C)=CC(=O)N1CCC[C@@H]1c1cc(C)on1 44634400 VWIFOSZQDZCKOJ-GFCCVEGCSA-N 234.299 2.613 0 40 BFAB N[C@H]1CCC[C@H]1Oc1ccccc1Cl 49959998 XTZKIVZVYSBKIR-GXSJLCMTSA-N 211.692 2.599 0 40 BFAB CCN1CCC[C@H]1c1ccccc1OC 69084139 RUQZDAUERWDMOB-LBPRGKRZSA-N 205.301 2.852 0 40 BFAB CC[C@@](C)(O)CNCc1ccc(SC)cc1 69896234 NEEIUYCUKZGCCM-CYBMUJFWSA-N 239.384 2.659 0 40 BFAB CCCc1nccn1Cc1ccc(C(=O)O)cc1 70535645 YIVQAHNKCOVEDY-UHFFFAOYSA-N 244.294 2.582 0 40 BFAB CCc1ccc(OC)c(C(=O)N2CCCCC2)c1 72206474 RCDXHGOJQKWSSH-UHFFFAOYSA-N 247.338 2.884 0 40 BFAB C[C@@H](NC(=O)C1CCC1)c1nc2ccccc2o1 72245224 DNYNQVPEMDKKMF-SECBINFHSA-N 244.294 2.805 0 40 BFAB N[C@@H]1CCCC[C@H]1NCc1ccccc1Cl 72411132 IBXAZXXRKXCENX-CHWSQXEVSA-N 238.762 2.700 0 40 BFAB Nc1scc(-c2cccc(F)c2)c1C(=O)O 75968378 WIFVJSJDDZWFPR-UHFFFAOYSA-N 237.255 2.835 0 40 BFAB C[C@@H](N)c1ccc(F)c(C(F)(F)F)c1 83255254 FYARORXHFRMUIC-RXMQYKEDSA-N 207.170 2.864 0 40 BFAB in-vitro C[C@@H](N)c1cc(F)ccc1Br 83591880 CQRICPAZGLNNEM-RXMQYKEDSA-N 218.069 2.608 0 40 BFAB CC1CC(CN)([C@H](O)c2cccc(Cl)c2)C1 85395831 AIXPKUFROWLUMZ-BKDHPRRPSA-N 239.746 2.748 0 40 BFAB Cc1cc(NCc2cn(C)nc2C)ccc1F 89791995 CEXMMMDSXZJUEN-UHFFFAOYSA-N 233.290 2.788 0 40 BFAB C[C@@H](CNc1ccccc1)NC(=O)C1CC=CC1 89901391 CWIQERDVCTXMLP-LBPRGKRZSA-N 244.338 2.569 0 40 BFAB Cc1cc(CO)cc(C(F)(F)F)c1F 91252065 XVYKBFIHKYRUPA-UHFFFAOYSA-N 208.154 2.645 0 40 BFAB Cc1ocnc1CNC(=O)C1CCCCCC1 95450903 VJPKJWYPWUZRQR-UHFFFAOYSA-N 236.315 2.570 0 40 BFAB O=C(O)c1cc(Br)sc1Cl 95709674 BGKGZWTWYYPYAR-UHFFFAOYSA-N 241.493 2.862 0 40 BFAB COC(=O)CCCC(=O)c1cccc(C)c1 95729466 FMEXELOXJZFCQW-UHFFFAOYSA-N 220.268 2.521 0 40 BFAB C[C@@H]1SCCN(C(=O)c2ccsc2)[C@@H]1C 98010482 GDJVJNCMOWJSRA-BDAKNGLRSA-N 241.381 2.714 0 40 BFAB CC[Sn](C#N)(CC)CC 195775784 WRHYYGWUSXGMRU-UHFFFAOYSA-N 231.915 2.558 0 40 BFAB CC(C)CCC(=O)Oc1cccc(C=O)c1 199558340 WJCGWQSPUOOTEP-UHFFFAOYSA-N 220.268 2.841 0 40 BFAB CCCN1CCC(Oc2cccc(N)c2)CC1 211320893 TTWZKXJBOLTPKK-UHFFFAOYSA-N 234.343 2.522 0 40 BFAB CCc1ccccc1N(C)[C@@H](CC)C(=O)O 224984759 UFCNZZRUEBIFBG-NSHDSACASA-N 221.300 2.548 0 40 BFAB CCO[C@H](Cc1c(C)cc(C)cc1C)C(=O)O 225137615 IFIJKVUUVGUJPD-CYBMUJFWSA-N 236.311 2.644 0 40 BFAB CC1(C)CC(=O)[C@@H]2C(C3CCCC3)=NN[C@@H]2C1 228927484 IUNMDJKZDAYWDP-ZYHUDNBSSA-N 234.343 2.510 0 40 BFAB COCC(=O)c1ccc(Br)c(C)c1 229179450 XIDKRCGKQWZWDA-UHFFFAOYSA-N 243.100 2.587 0 40 BFAB COc1cc(C)c(C)cc1NC1CCN(C)CC1 658115681 SAZQEKTYBIKQNV-UHFFFAOYSA-N 248.370 2.818 0 40 BFAB CCC(=O)Nc1nnc(-c2ccccc2C)s1 795775 IXKFLEDPAYOAGC-UHFFFAOYSA-N 247.323 2.862 0 40 BFAB Cc1ccc(-c2nc3ncccc3n2O)cc1 1396594 BDMFKIVGZDPUNV-UHFFFAOYSA-N 225.251 2.644 0 40 BFAB CCNC(=O)Oc1ccc2ccccc2c1 1615357 RYVFWTRZUMJDRI-UHFFFAOYSA-N 215.252 2.948 0 40 BFAB Cc1ccc(C)c(NC(=S)NC2CC2)c1 2776658 QKADPJTZCFCIOA-UHFFFAOYSA-N 220.341 2.752 0 40 BFAB c1ccc(CN2CCC([C@H]3CCCN3)CC2)cc1 3732449 LLECPDMILCCLLV-MRXNPFEDSA-N 244.382 2.651 0 40 BFAB Cc1cc(C)c2c(c1)C[C@@H]1CCCCN1C2=O 3847858 RXJYRJWSNPPGIG-ZDUSSCGKSA-N 229.323 2.854 0 40 BFAB biogenic CC1=N/C(=C\c2ccccc2Cl)C(=O)O1 5012560 YLWUTHYVSMAJES-POHAHGRESA-N 221.643 2.656 0 40 BFAB CC(C)[C@H](C)NC(=O)c1ccccc1F 5381495 SMEHAKLIJZGPLD-VIFPVBQESA-N 209.264 2.600 0 40 BFAB CC(C)NC(=S)Nc1ccccc1F 7556398 AJEWGDGLAIEBHI-UHFFFAOYSA-N 212.293 2.521 0 40 BFAB NCCc1ncc(-c2ccc3c(c2)CCCC3)o1 11587011 XUVKOADNJGMFPZ-UHFFFAOYSA-N 242.322 2.722 0 40 BFAB O=C(Nc1ccccn1)Nc1ccccc1F 16971317 KBTNRAVEVPJEDI-UHFFFAOYSA-N 231.230 2.865 0 40 BFAB CCCCOC(=O)c1ccc(Cl)cc1N 20156083 DFGQBWYOWLOKNS-UHFFFAOYSA-N 227.691 2.879 0 40 BFAB CCn1cc(NCc2ccccc2)c(C)n1 20350497 MFYDRJPIXHKPGL-UHFFFAOYSA-N 215.300 2.824 0 40 BFAB CCc1cccc(C(=O)C(F)(F)F)c1 26576390 PJSYSOFHIVILHS-UHFFFAOYSA-N 202.175 2.994 0 40 BFAB Cc1cccc2c1N[C@H](c1ccsc1)NC2=O 27578170 NJVSZTSFVWNGTQ-LBPRGKRZSA-N 244.319 2.911 0 40 BFAB COc1cccc2[nH]c(C(F)(F)F)cc(=O)c12 32264555 KJLHMVASDMDKLM-UHFFFAOYSA-N 243.184 2.556 0 40 BFAB CCC(CC)N(C)C(=O)Nc1cccnc1 32779615 OKNRWWATHRQPLB-UHFFFAOYSA-N 221.304 2.734 0 40 BFAB CC[C@@H](C)NC(=O)Nc1cccc(NC(C)=O)c1 32862250 WVIBAVOFIHSHQC-SECBINFHSA-N 249.314 2.565 0 40 BFAB CC(C)n1ncc2cc(NCC3CC3)cnc21 36882480 XKQLZDTXHWVVMT-UHFFFAOYSA-N 230.315 2.834 0 40 BFAB Cc1c(C2CC2)nn(-c2ccccc2)c1N 36938494 GAQBJEXMBMICJO-UHFFFAOYSA-N 213.284 2.640 0 40 BFAB COc1ccc([C@H](O)C(=O)c2ccccc2)cc1 39238948 IAAJKEZGSMXKAL-HNNXBMFYSA-N 242.274 2.612 0 40 BFAB Nc1cccc(-c2csc(N3CCCC3)n2)c1 40176483 QYAXAZNYDBBVAA-UHFFFAOYSA-N 245.351 2.993 0 40 BFAB COc1cccc(C(=O)c2ccco2)c1 41210987 LVITUNANDHJRLA-UHFFFAOYSA-N 202.209 2.519 0 40 BFAB c1ccc(-c2ccc(OC3CNC3)cc2)cc1 42769976 IIIPPZPXPMOBMN-UHFFFAOYSA-N 225.291 2.704 0 40 BFAB in-vitro COC[C@H](C)CN[C@H](C)c1ccccc1C 45656254 SCXFPWFTIFTJPQ-DGCLKSJQSA-N 221.344 2.928 0 40 BFAB CC(=O)Nc1ccc(Oc2cc(C)ncn2)cc1 49644236 MDBBHVGQTQUSOC-UHFFFAOYSA-N 243.266 2.536 0 40 BFAB CCSc1nncn1CCc1cccs1 58474032 FWCGOYOSYBDSIR-UHFFFAOYSA-N 239.369 2.694 0 40 BFAB CC(C)(C)c1ccnc(Br)n1 72193226 VHRWZGBRPRINCR-UHFFFAOYSA-N 215.094 2.537 0 40 BFAB CCC[C@@H](OC)c1ccc(CC(=O)O)cc1 72220144 CUDWDKOIRYMNLM-GFCCVEGCSA-N 222.284 2.801 0 40 BFAB O=C(O)C1(c2ccc(Cl)cc2F)CC1 75934268 REFBTNOOKKSXRG-UHFFFAOYSA-N 214.623 2.595 0 40 BFAB O=C(O)C1(CSc2ccccc2)CC1 85390296 ONGIUDJADNEAQG-UHFFFAOYSA-N 208.282 2.644 0 40 BFAB Cc1cscc1C(=O)N1C[C@@H]2CCC[C@H]2C1 89708884 AYPOOWFLIWYPRZ-QWRGUYRKSA-N 235.352 2.929 0 40 BFAB CC(C)(C)[C@@H](O)CNc1ccncc1Cl 96454013 ZYHSGCVXUNVGMM-JTQLQIEISA-N 228.723 2.554 0 40 BFAB CC[C@@H](C)Nc1cccc([S@@](C)=O)c1 97232079 QKMSWBPTRZAAAC-OTYXRUKQSA-N 211.330 2.634 0 40 BFAB CCSc1nnc(-c2cccc(C)c2)n1C 97528508 BXCBSFLLDXLWSU-UHFFFAOYSA-N 233.340 2.903 0 40 BFAB CC(C)(C)c1[nH]nc2c1C(=O)c1ccccc1-2 100232362 WMDLBUILMXLFQA-UHFFFAOYSA-N 226.279 2.919 0 40 BFAB Cc1cccc(C2=N[C@@H](c3ccccc3)CO2)n1 198596883 ZBYAUOZWGYIGNW-CQSZACIVSA-N 238.290 2.908 0 40 BFAB CCCc1ccc(C(=O)[C@@H]2C[C@H]2C(=O)OC)cc1 217818223 SYKHYDDYXAVDJV-CHWSQXEVSA-N 246.306 2.631 0 40 BFAB Fc1ccc(N2N=C[C@@H]3C=CCC[C@H]32)cc1 242522439 ISXYTOHIZSYXKU-GXFFZTMASA-N 216.259 2.966 0 40 BFAB Fc1ccc(N2N=C[C@H]3C=CCC[C@@H]32)cc1 242522440 ISXYTOHIZSYXKU-MFKMUULPSA-N 216.259 2.966 0 40 BFAB Cc1cccc2nc(C3CC3)cc(CO)c12 685937723 YDGAZKOJHUKCHY-UHFFFAOYSA-N 213.280 2.913 0 40 BFAB COc1ccc(C(F)F)c(OC)c1OC 1857793711 QTWOXXKWINPZOA-UHFFFAOYSA-N 218.199 2.650 0 40 BFAB C1CCN(SN2CCCCC2)CC1 136182 YNQDTNFXKPJZLM-UHFFFAOYSA-N 200.351 2.521 0 40 BFAB CC[C@@H](C)N(C(=O)[C@@H]1CCCO1)[C@H](C)CC 5980726 NUNUDSKUPNYYGR-UTUOFQBUSA-N 227.348 2.591 0 40 BFAB CC(C)NC1=NN=C(c2cccs2)CS1 6049394 JZGCHRQNUFEPRL-UHFFFAOYSA-N 239.369 2.553 0 40 BFAB Oc1ccc(CNc2ccc3c[nH]nc3c2)cc1 6188174 AQXHPCJDJVWYCJ-UHFFFAOYSA-N 239.278 2.881 0 40 BFAB CCN(CC)C(=O)[C@@H](C)Oc1cc(C)cc(C)c1 8041495 HYSNVZWHTNVPNT-CYBMUJFWSA-N 249.354 2.939 0 40 BFAB Cn1c(C(=O)O)ccc1-c1ccc(F)cc1 11730397 KGAUEEYVIWDUGX-UHFFFAOYSA-N 219.215 2.529 0 40 BFAB in-vitro O=C1Nc2ccccc2/C1=C/c1ccccc1O 12719949 QJJAFCLEWYTXRC-XFXZXTDPSA-N 237.258 2.885 0 40 BFAB CC(C)NC(=O)NCc1nc2ccccc2s1 12972540 CYZBDAPAHPFEEQ-UHFFFAOYSA-N 249.339 2.504 0 40 BFAB Cc1ccc2[nH]c3c(c2c1)CCc1c[nH]nc1-3 13129922 BEDRASDCVGOBRO-UHFFFAOYSA-N 223.279 2.965 0 40 BFAB Cc1ccc(C)c(OC[C@H]2CCCNC2)c1 14631185 ZTHMZFJPWWTDJI-ZDUSSCGKSA-N 219.328 2.682 0 40 BFAB Cc1ccc(C(=O)c2cccnc2)c(C)c1 22121744 ZVXBNZIIMXXKSQ-UHFFFAOYSA-N 211.264 2.929 0 40 BFAB O=C(O)c1cncc(-c2ccsc2)c1 22201056 QZPQTJJXLAOEQZ-UHFFFAOYSA-N 205.238 2.508 0 40 BFAB Cc1cccc(CNC(=O)NC2CCCC2)c1 40068699 SKRSIWAGKDHBFS-UHFFFAOYSA-N 232.327 2.737 0 40 BFAB Fc1ccccc1-c1nc([C@@H]2CCCCN2)no1 40443428 DRANOHDAYYHWBI-NSHDSACASA-N 247.273 2.690 0 40 BFAB COc1ccc(CO)c(OCc2ccccc2)c1 40566681 BYCLDWGQVPKNON-UHFFFAOYSA-N 244.290 2.767 0 40 BFAB CC(=O)N[C@@H](C)c1ccccc1Br 42162892 VZHBWZBVAVLOLV-ZETCQYMHSA-N 242.116 2.646 0 40 BFAB C[C@H]1C[C@H](C)CN(c2cc(=S)[nH]cn2)C1 45918629 XQCQPQVSVHTAAA-IUCAKERBSA-N 223.345 2.621 0 40 BFAB Cc1cccc(-c2ccnc(C(=O)O)c2)c1 65347051 UBKHOXGEOCJMEZ-UHFFFAOYSA-N 213.236 2.755 0 40 BFAB C[C@@H]1CCCCN1C[C@H](O)c1ccccc1F 65575228 NJDSGOINJOZNSB-RISCZKNCSA-N 237.318 2.734 0 40 BFAB CCSc1nnc(Cc2ccccc2F)o1 67954500 RRNPDZXGBNTOOQ-UHFFFAOYSA-N 238.287 2.912 0 40 BFAB COc1ccc(N[C@@H](C)c2nc(C)no2)cc1 69873794 OXAFTKXJDNSBDD-QMMMGPOBSA-N 233.271 2.560 0 40 BFAB CCN1CCCC[C@@H]1c1cccnc1N(C)C 72212672 QDXDJBTXLRJNTF-CYBMUJFWSA-N 233.359 2.695 0 40 BFAB CCCNc1ncccc1[C@H]1CCCN1C(C)=O 72213128 ASOMKKHPUVYRHI-CYBMUJFWSA-N 247.342 2.587 0 40 BFAB COC(=O)CCCCC(=O)c1ccccc1 79035683 JHWWYYHXNFAENU-UHFFFAOYSA-N 220.268 2.603 0 40 BFAB Cc1cc(-c2[nH]ncc2C=O)ccc1Cl 82168682 ROTHXBCXOVTWBX-UHFFFAOYSA-N 220.659 2.851 0 40 BFAB CSc1cc(Br)ccc1CO 82617024 YECBCSZTZYCUKU-UHFFFAOYSA-N 233.130 2.663 0 40 BFAB O=C(O)c1cccc2c1ccn2CC1CC1 82687453 LYSVTJFDRSAXCX-UHFFFAOYSA-N 215.252 2.750 0 40 BFAB CCc1cccc2c1[nH]c1nc(=S)[nH]nc12 84020732 JVJDPUKVAUFHGD-UHFFFAOYSA-N 230.296 2.731 0 40 BFAB C/C(=C\C(=O)N1CCO[C@@H]2CCCC[C@H]21)C1CC1 89262197 WWXCVJMHLPVYGK-SNESEAJLSA-N 249.354 2.513 0 40 BFAB Cc1cccc(C(=O)N2CCC[C@@H]3CCC[C@@H]32)n1 89688914 TWQCUDIFGZLDPJ-JSGCOSHPSA-N 244.338 2.795 0 40 BFAB CC(C)=CCC[C@H](C)NCc1cnn(C)c1C 90888012 MAJNWCHXFVJHMD-LBPRGKRZSA-N 235.375 2.953 0 40 BFAB Cc1c[nH]c2nc(Br)ccc12 95644173 IWVYXMFKYYBVNU-UHFFFAOYSA-N 211.062 2.634 0 40 BFAB Cc1cccc(CN(C)CCCn2ccnc2)c1 95977330 NWUVBUMKBOXKCY-UHFFFAOYSA-N 243.354 2.714 0 40 BFAB C/C=C/C=C/C(=O)N[C@H]1CCC[C@H]1SCC 96450528 ZOZDWJYAVDBLRD-GPOFLVMBSA-N 239.384 2.909 0 40 BFAB O=Cc1cccc(OC[C@H]2CC2(F)F)c1 96515598 JIMRLLFZVJMGNI-SECBINFHSA-N 212.195 2.533 0 40 BFAB C[C@@H]1CC[C@@H]1COc1ccc(C(=O)O)cc1 96526476 QTIOOMNJFALMMR-MWLCHTKSSA-N 220.268 2.810 0 40 BFAB Cc1ccc(CCC(=O)NC2CC2)cc1C 96621714 JIFFLPXPICSBJY-UHFFFAOYSA-N 217.312 2.515 0 40 BFAB CO[C@@H]1CCC[C@H](OC(=O)CC(C)(C)C)C1 97043846 IHIGGSOXCMITHM-MNOVXSKESA-N 228.332 2.923 0 40 BFAB Cc1ccsc1C(=O)OCc1cncs1 97050234 ZLHXWAYNDOGAGZ-UHFFFAOYSA-N 239.321 2.870 0 40 BFAB Cc1ccc([C@@H](O)C(=O)C(C)(C)C)cc1 100251519 VXHKCXUJZGXERD-LLVKDONJSA-N 206.285 2.644 0 40 BFAB CCc1c(C)nn(-c2ccc(F)cc2)c1O 101480337 XOWULSXUQDMELV-UHFFFAOYSA-N 220.247 2.588 0 40 BFAB O=C(NC(C1CC1)C1CC1)[C@H]1C[C@H]2C=C[C@H]1C2 102191066 WDWDRSLMGMQKBD-XDTLVQLUSA-N 231.339 2.503 0 40 BFAB CCCCCCNCc1ccnn1CCC 164827856 ADYHCUBVBVCMNP-UHFFFAOYSA-N 223.364 2.963 0 40 BFAB CCCn1c(C)cc(CNCCCOC)c1C 223659365 YAEPQVUVHUSSBD-UHFFFAOYSA-N 238.375 2.641 0 40 BFAB Clc1nccc2[nH]c(Br)cc12 238522058 JQHZLIJJWABVAD-UHFFFAOYSA-N 231.480 2.979 0 40 BFAB Cc1[nH]nc(CN2CC3(CCC3)[C@H]2C2CC2)c1C 894795344 RAOGPMNBRGCDMS-CQSZACIVSA-N 245.370 2.791 0 40 BFAB COC(OC)c1ccc(N)cc1C(F)(F)F 1083812435 ADJGADYKWLNJHK-UHFFFAOYSA-N 235.205 2.579 0 40 BFAB COc1cccc(/C=C(/Cl)[N+](=O)[O-])c1 162824 PJOAXHFJCQZQMA-TWGQIWQCSA-N 213.620 2.509 0 40 BFAB CC[C@H](C)c1ccc(OC[C@@H](C)O)cc1 1577241 GBRILULHTCGXKY-WDEREUQCSA-N 208.301 2.960 0 40 BFAB C[C@@H]1CO[C@@H](c2cc3c(cc2Cl)OCO3)O1 1656200 UTIZIJGZPHPMHN-KSBSHMNSSA-N 242.658 2.503 0 40 BFAB CC(C)CCC[C@H](O)CNCc1ccccc1 1684146 SCSXIQNUPXDCRG-HNNXBMFYSA-N 235.371 2.963 0 40 BFAB CC(C)[C@H](C)NC(=O)c1ccc(N(C)C)cc1 9322827 ROESNJICJNLDMD-NSHDSACASA-N 234.343 2.527 0 40 BFAB C[C@H](NC(=O)c1ccco1)c1cccc(F)c1 13012447 WPCHGEWAFPPQTR-VIFPVBQESA-N 233.242 2.910 0 40 BFAB Cc1[nH]c2ccccc2c1CCN(C)C 13805802 NDGCOWDSLVNLGE-UHFFFAOYSA-N 202.301 2.580 0 40 BFAB Clc1ccc2nc(CC3CCNCC3)[nH]c2c1 15423959 HSOZVULSCLJYEQ-UHFFFAOYSA-N 249.745 2.758 0 40 BFAB CCCn1c(C)c(C(=O)OC)c2cc(O)ccc21 15932541 NAEAVFLBAODGOC-UHFFFAOYSA-N 247.294 2.852 0 40 BFAB CN(C)/C=C1\Oc2ccccc2N=C1Cl 20366842 AQUPIXZBNDANQY-YFHOEESVSA-N 222.675 2.751 0 40 BFAB CC(C)(C)[C@H](N)COc1ccccc1F 23071032 RAMFXVIHUDTMSI-LLVKDONJSA-N 211.280 2.578 0 40 BFAB in-vitro COc1cc(Cl)ccc1NC1=NCCC1 32604277 GWSONMZAEXGFAH-UHFFFAOYSA-N 224.691 2.953 0 40 BFAB CNC(=O)c1cc2ccc(Cl)cc2nc1C 32796726 QLTVNWZIJPOCCM-UHFFFAOYSA-N 234.686 2.556 0 40 BFAB O=C(O)c1cc2ccccc2c(OCC2CC2)n1 37372837 HZNBOZWCGLPIAE-UHFFFAOYSA-N 243.262 2.722 0 40 BFAB in-vitro Cc1cc(C)cc(C2(O)CCN(C(C)C)CC2)c1 37745911 GGEHPLDELLZVLD-UHFFFAOYSA-N 247.382 2.995 0 40 BFAB Cc1cc(N(C)C)ccc1NC(=O)c1ccco1 40111575 KTVLEJDOCWNNPB-UHFFFAOYSA-N 244.294 2.906 0 40 BFAB OCCc1ccc(NCc2cccs2)cc1 40737897 KFMWUXGMWPADDJ-UHFFFAOYSA-N 233.336 2.895 0 40 BFAB C[C@@H]1CCCCN1Cc1nc(C(C)(C)C)no1 48341295 DWWCIKCLIZOBKO-SNVBAGLBSA-N 237.347 2.742 0 40 BFAB COc1ccc(NCC2CCOCC2)cc1 52171945 NXLVDFOFUYKTQS-UHFFFAOYSA-N 221.300 2.534 0 40 BFAB CC(C)[C@@H](C)NC(=O)/C=C/c1ccc(F)cc1 66968212 UUBSAGIDJGOSMC-OALRPVAKSA-N 235.302 3.000 0 40 BFAB Fc1ccc(CNCCc2ccco2)s1 67802976 OWNWJEZAKAEYME-UHFFFAOYSA-N 225.288 2.813 0 40 BFAB CSCCC(=O)c1cccc(F)c1F 69984270 GDXCZQJJPANCOW-UHFFFAOYSA-N 216.252 2.901 0 40 BFAB OC[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 70453351 LQSFZWVYWMAVCT-CBAPKCEASA-N 216.202 2.801 0 40 BFAB c1cc(C2CCN(C3CCCCC3)CC2)ncn1 72187516 NBGIPWHHQRXLSQ-UHFFFAOYSA-N 245.370 2.989 0 40 BFAB CC(C)Oc1ccc([C@H]2CCCN2C)cn1 72211885 PCUFORPUSGQGKU-GFCCVEGCSA-N 220.316 2.636 0 40 BFAB CCOC(=O)c1nc(-c2cccnc2)sc1C 78073522 CQUZEOOIJJPUJG-UHFFFAOYSA-N 248.307 2.690 0 40 BFAB COc1ccc(Cl)cc1C1([C@@H](C)O)CC1 84423762 PGVPOCLDDCKRTD-MRVPVSSYSA-N 226.703 2.761 0 40 BFAB C1C[C@@H]2CN(c3nc(C4CC4)ns3)C[C@H]2C1 89817891 BOWWEOJEOKNNMM-NXEZZACHSA-N 235.356 2.652 0 40 BFAB CC1CCN(Cc2ccccc2C=O)CC1 95738632 BELRMABUZYLFLI-UHFFFAOYSA-N 217.312 2.731 0 40 BFAB O=Cc1ccc(Br)cc1OC1CC1 95741491 MRAPLINWVOFLEE-UHFFFAOYSA-N 241.084 2.803 0 40 BFAB CCSCCN[C@H](C)c1ccc(C)o1 97374049 ZDUGYVCOKGFYBF-SNVBAGLBSA-N 213.346 2.992 0 40 BFAB COCOc1cccc(OC(F)(F)F)c1 168472098 CZVOJCFXHVYKJF-UHFFFAOYSA-N 222.162 2.568 0 40 BFAB O=C(O)C(F)(F)[C@H]1CCCC(F)(F)C1 220207406 CNMVLQKWSLCHHX-YFKPBYRVSA-N 214.158 2.532 0 40 BFAB CCCN(c1cc(C)cc(C)c1)[C@@H](C)C(=O)O 224984524 PHOJELUKZUZONF-LBPRGKRZSA-N 235.327 2.993 0 40 BFAB CCN(c1ccc(Cl)cc1C)[C@H](C)C(=O)O 260680875 WHPBDWIAXHNMQJ-SECBINFHSA-N 241.718 2.948 0 40 BFAB CCCc1c(O)ccc(C(C)=O)c1NCC 157851 UEUBXQBWTJARQS-UHFFFAOYSA-N 221.300 2.979 0 40 BFAB OCc1cccc(-c2ccccc2F)c1 1257048 SDFKIHREAMQUPT-UHFFFAOYSA-N 202.228 2.985 0 40 BFAB COc1ccc([C@H]2OCC[C@H](C)O2)cc1 1693701 IDYWJSQHGBGJTL-CABZTGNLSA-N 208.257 2.519 0 40 BFAB COC(=O)[C@@H]1N=C(c2ccccc2)SC1(C)C 1707368 RJEFVUNCKUZKDX-JTQLQIEISA-N 249.335 2.500 0 40 BFAB CCCC[C@H](NC(C)=O)c1nc2ccccc2[nH]1 1926997 VLULDFKKUDHYHH-ZDUSSCGKSA-N 245.326 2.930 0 40 BFAB CC[C@H](Oc1ccccc1)C(=O)N[C@H](C)CC 6116393 CYVVEDPDZVYQFA-YPMHNXCESA-N 235.327 2.759 0 40 BFAB COc1ccccc1C(=O)N1CCCC[C@H]1C 6249976 UYTKRPSDYHXWAO-LLVKDONJSA-N 233.311 2.710 0 40 BFAB C[C@@H]1CCC[C@H](NC(=O)c2ccco2)[C@@H]1C 6468239 RZGCUTGKLOKALL-MXWKQRLJSA-N 221.300 2.834 0 40 BFAB CCN(C(=O)c1cccnc1)C1CCCCC1 6593920 GLJMEDJKIHICBT-UHFFFAOYSA-N 232.327 2.876 0 40 BFAB CCc1ccc(Cc2cnc(N)s2)cc1 6870942 OQQGDGYUYOOZKO-UHFFFAOYSA-N 218.325 2.879 0 40 BFAB O=c1c2ccsc2ncn1Cc1ccccc1 8244270 WFFPEUDEQRTWNC-UHFFFAOYSA-N 242.303 2.506 0 40 BFAB Cc1cccc(CC(=O)Nc2ccncc2)c1 8382895 DRKJHIYSICYWPY-UHFFFAOYSA-N 226.279 2.571 0 40 BFAB Nc1ccc(SCc2ccc(C(=O)O)o2)cc1 8702182 SDJWCDRTVXKXFM-UHFFFAOYSA-N 249.291 2.852 0 40 BFAB O=C([C@H]1CC=CCC1)N1CCc2sccc2C1 12553556 WWKUGXKWNFCBJZ-NSHDSACASA-N 247.363 2.989 0 40 BFAB Fc1ccc2[nH]c3c(S)nncc3c2c1 12803943 OPFRWXOSTFUEEV-UHFFFAOYSA-N 219.244 2.539 0 40 BFAB CC(=O)[C@@H](C)CCCCC[C@H]1C=CC(=O)O1 14490844 MSOHKYKACHEERC-JQWIXIFHSA-N 224.300 2.644 0 40 BFAB biogenic,in-vitro Clc1ccc(CNC[C@@H]2CCCO2)s1 20055656 ZGMVVTLCTRWDMM-QMMMGPOBSA-N 231.748 2.670 0 40 BFAB CCOc1ccc(-c2nc(CN)c(C)o2)cc1 21924372 CNAJXMGNUVLNSO-UHFFFAOYSA-N 232.283 2.507 0 40 BFAB Cc1nc(/C=C2/C(=O)Nc3ccccc32)cs1 22130813 NPQPZBQWFWAJFT-IZZDOVSWSA-N 242.303 2.944 0 40 BFAB Cc1ccc(CN(C)C(=O)C2CCC2)cc1 33000481 JTTZSPFSZHXKRL-UHFFFAOYSA-N 217.312 2.754 0 40 BFAB C=CC(=O)N1CCC[C@@H]1c1cccs1 37828585 LKIMCRSPMPIFIY-SECBINFHSA-N 207.298 2.598 0 40 BFAB Nc1cc(C(=O)O)ccc1Nc1ccccc1F 37930535 AYTOKSQOIDZGFQ-UHFFFAOYSA-N 246.241 2.850 0 40 BFAB CC[C@@H](C)C(=O)CC(=O)c1ccccc1 39268862 VTLQBZISYPTVHR-SNVBAGLBSA-N 204.269 2.875 0 40 BFAB CCNC(=O)Nc1ccccc1C(F)(F)F 40161268 ZNVROOFPOBGOAU-UHFFFAOYSA-N 232.205 2.847 0 40 BFAB Clc1ccc(NC[C@@H]2CCCNC2)cc1 41245304 ACBSRUFZFPGOQI-SNVBAGLBSA-N 224.735 2.752 0 40 BFAB O=C(O)c1ccccc1Oc1ccncc1 42415504 NDVHHTOLGZMAOK-UHFFFAOYSA-N 215.208 2.572 0 40 BFAB Cc1ccc(Cl)c(OC[C@H]2CCNC2)c1 42772384 XVEKDIOOOZJGHU-JTQLQIEISA-N 225.719 2.637 0 40 BFAB NCCc1ccc(-c2cccc(F)c2)o1 70453025 GKDBDBRFMBBVKN-UHFFFAOYSA-N 205.232 2.587 0 40 BFAB CC(=O)N1CCCCC[C@@H]1c1ccco1 76510909 QOYGJLCZJYYQLA-LLVKDONJSA-N 207.273 2.743 0 40 BFAB CC(=O)Oc1ccc(F)c(Br)c1 117781483 FQLBZJWSIONHRH-UHFFFAOYSA-N 233.036 2.514 0 40 BFAB Cc1ccn(-c2cccc(Br)c2)n1 148009808 XRRUSQYHSMHEBF-UHFFFAOYSA-N 237.100 2.943 0 40 BFAB CCCCC[S@](=O)c1ccc(OC)cc1 191177929 CODJJWTUGPDBDZ-HNNXBMFYSA-N 226.341 2.993 0 40 BFAB CCOC(=O)[C@@H]1C[C@H]1c1cccc(C)c1 196056364 UEFUJMMDLGDXLQ-NWDGAFQWSA-N 204.269 2.662 0 40 BFAB CC(C)Oc1ccc2cnc(N)cc2c1 199564807 DGAWVTXYIXTVMT-UHFFFAOYSA-N 202.257 2.604 0 40 BFAB CCC[C@H](C)Nc1ccc(C(=O)NCC)cc1N 213294937 XMYWNIOQSKITKU-JTQLQIEISA-N 249.358 2.619 0 40 BFAB Clc1nccc2cc(Br)[nH]c12 216631576 SJTBSXLGXPCLEY-UHFFFAOYSA-N 231.480 2.979 0 40 BFAB CCc1ccc(NC(=O)c2cnc(C)nc2)cc1 222587839 PAIXHCWZYCTTQT-UHFFFAOYSA-N 241.294 2.600 0 40 BFAB COP(=O)(CCCCN=[N+]=[N-])OC 238356515 WRNNULMBODGZLD-UHFFFAOYSA-N 207.170 2.563 0 40 BFAB COC(=O)C12CC(c3cccc(Cl)c3)(C1)C2 258827996 DPQUJUMCHQFHDD-UHFFFAOYSA-N 236.698 2.935 0 40 BFAB Cc1[nH]nc(CN2CC3(CCC3)[C@@H]2C2CC2)c1C 894795339 RAOGPMNBRGCDMS-AWEZNQCLSA-N 245.370 2.791 0 40 BFAB C[C@H](CO)Oc1ccc2ccccc2c1 480895 MIOCXGZKIFRNRK-SNVBAGLBSA-N 202.253 2.599 0 40 BFAB CC1(C)[C@H]2CC[C@]1(C)c1oc(=O)ccc12 3845448 OPMVGRRHQPBJEO-TVQRCGJNSA-N 204.269 2.815 0 40 BFAB biogenic CC(C)[C@@]1(CC(=O)O)CCOC(C)(C)C1 4082488 HHXDMHKUPHNFMF-GFCCVEGCSA-N 214.305 2.693 0 40 BFAB biogenic CCCCNc1nnc(-c2cccnc2)s1 4992740 LQKBSAMIYCTWSC-UHFFFAOYSA-N 234.328 2.812 0 40 BFAB O=C(O)C[C@H]1CC[C@@H]2C[C@H](O)c3cccc1c32 5085146 KARFLYYFKRUEQF-LNLATYFQSA-N 232.279 2.559 0 40 BFAB Cc1ccc(NC(=O)c2ccccc2C)nc1 5571114 CSTAOQBBOFQXPJ-UHFFFAOYSA-N 226.279 2.951 0 40 BFAB CCCCCC[C@@H]1C(=O)CC[C@H]1C(=O)OC 5820600 IPWBXORAIBJDDQ-WDEREUQCSA-N 226.316 2.725 0 40 BFAB Cc1c(C(=O)NC2CC2)oc2ccccc12 7952811 NVXPTNFSVCNLBO-UHFFFAOYSA-N 215.252 2.633 0 40 BFAB C[C@@H]1CC(=O)c2cnn(-c3ccc(F)cc3)c2C1 8570262 OTLRTEIRCPMYHR-VIFPVBQESA-N 244.269 2.776 0 40 BFAB CC[C@@H](C)C(=O)N[C@H]1CCc2ccccc21 12983964 VZVVFOHUCRWRDO-MFKMUULPSA-N 217.312 2.836 0 40 BFAB Cc1ccc(SCc2cc(O)n[nH]2)cc1 16776901 PEMCBRHXPJEUOM-UHFFFAOYSA-N 220.297 2.716 0 40 BFAB Cc1n[nH]c(N)c1-c1ccccc1Cl 19045567 JIUMPPRGTKYBHZ-UHFFFAOYSA-N 207.664 2.621 0 40 BFAB Cc1cccc(O[C@H]2CCCC[C@H]2N)c1 19384731 DFOCZGSNKRHCGJ-OLZOCXBDSA-N 205.301 2.644 0 40 BFAB in-vitro COc1cccc([C@H](C)NC[C@@H]2CCCO2)c1 19963617 ZVGASTUZMKBKCJ-FZMZJTMJSA-N 235.327 2.525 0 40 BFAB CC[C@@H](C)[C@H](N)c1ccc2c(c1)OCCCO2 19968030 HUSRCLWUPIDYKW-YGRLFVJLSA-N 235.327 2.894 0 40 BFAB CC[C@@H](Oc1cccc(C)c1)C(=O)NC(C)C 20110951 BERYUYPVSWKAKG-CYBMUJFWSA-N 235.327 2.677 0 40 BFAB CC[C@H](CO)N[C@@H]1C[C@@H](C)CC(C)(C)C1 20195693 XEXOMIQOZCEMST-IJLUTSLNSA-N 213.365 2.562 0 40 BFAB C[C@@H]1C[C@H]1C(=O)NC1C2CC3CC(C2)CC1C3 32721500 KEROWRDSVUVMLJ-FXOFQERSSA-N 233.355 2.583 0 40 BFAB CCOC(=O)c1cc(C)nc(-c2ccccc2)n1 32937834 PMVOHNGNWKPBFL-UHFFFAOYSA-N 242.278 2.629 0 40 BFAB in-vitro COCCN[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 35439075 BIWZRCPLGYEICT-RWMBFGLXSA-N 213.365 2.683 0 40 BFAB CC(C)CCC(=O)N[C@@H](C)Cc1ccco1 40510239 ZYNZQCPQCAYDDR-NSHDSACASA-N 223.316 2.763 0 40 BFAB N=C(N)COc1ccc(-c2ccccc2)cc1 57585384 NOFLBDDVQKKFDD-UHFFFAOYSA-N 226.279 2.668 0 40 BFAB COc1ccc(SCc2noc(C)n2)cc1 57709771 ZFPHKIZAZJDEPF-UHFFFAOYSA-N 236.296 2.679 0 40 BFAB NC/C=C/c1ccc(Cl)cc1Cl 69049789 PICGQJWHHSEXIK-OWOJBTEDSA-N 202.084 2.965 0 40 BFAB Cc1cccn(Cc2ccc(Cl)s2)c1=O 69951737 LSPQVIGYIAGPIM-UHFFFAOYSA-N 239.727 2.920 0 40 BFAB COC(=O)Cc1ccc([C@@H](C)OC(C)C)cc1 72220190 HVSZXINNJUXEGH-LLVKDONJSA-N 236.311 2.888 0 40 BFAB CNCc1cnc(OCc2ccccc2)c(C)c1 72222396 XNGZYVTYKOPXEE-UHFFFAOYSA-N 242.322 2.688 0 40 BFAB COCCN1CC[C@@H]1c1ccc(Cl)cc1 81605762 JXGUATSDUYQBSF-GFCCVEGCSA-N 225.719 2.733 0 40 BFAB C[C@@H](C(=O)O)c1ccc(F)c(Cl)c1 82592475 WQCTVPRDXUKRPI-RXMQYKEDSA-N 202.612 2.667 0 40 BFAB C/C=C/CS(=O)(=O)Cc1ccc(C)c(C)c1 89597906 OTLALAXZFYLXBK-SNAWJCMRSA-N 238.352 2.794 0 40 BFAB Cc1c(C(F)(F)F)[nH]c2ccc(F)cc2c1=O 104218774 BYXIHTPONYYYLS-UHFFFAOYSA-N 245.175 2.994 0 40 BFAB COCC(=O)c1ccc(Br)cc1C 229182383 OACRBBNQJSADPA-UHFFFAOYSA-N 243.100 2.587 0 40 BFAB C[C@@H]1CC[C@H](O)[C@]2(C)CC[C@@H](C(C)(C)O)C=C12 252516974 YNBRPGOINKTYTG-UQFNBPPOSA-N 238.371 2.891 0 40 BFAB biogenic,in-vitro O=C1Nc2cc(C(F)(F)F)ccc2[C@H]1F 257198212 WHNNUZIGIVYACR-SSDOTTSWSA-N 219.137 2.668 0 40 BFAB Cc1c[nH]c([C@H]2CCN(C3CCCCC3)C2)n1 257249977 JKMFZSIAPSHSCZ-LBPRGKRZSA-N 233.359 2.840 0 40 BFAB Fc1ccc(Br)c2ocnc12 258837509 SXHOXNGBYPZCDG-UHFFFAOYSA-N 216.009 2.729 0 40 BFAB O=C(N[C@H]1CCC[C@H]1F)c1ccc2cc[nH]c2c1 334450279 RQMSFOXSEKJLAE-NEPJUHHUSA-N 246.285 2.788 0 40 BFAB COC(=O)c1ccc(C(=O)C(F)(F)F)c(C)c1 575362335 GLLHCZPZFZDQPP-UHFFFAOYSA-N 246.184 2.527 0 40 BFAB O=C(O)c1cc(C(F)(F)F)cc2cccnc12 585164055 UPJZPWPDIZFJNK-UHFFFAOYSA-N 241.168 2.952 0 40 BFAB O=C(NC1CCCCC1)N1CCC[C@@H](CF)C1 711502289 LZUGIAIQGSNRJN-NSHDSACASA-N 242.338 2.710 0 40 BFAB Cc1ccc2cccc(O[C@H]3CC[C@]3(C)O)c2n1 1775996262 LSSWCXQXOQIXCY-ZFWWWQNUSA-N 243.306 2.835 0 40 BFAB CC1(c2ccccn2)CN(Cc2ccccc2)C1 2362803830 QNKZGGYYJAUVGX-UHFFFAOYSA-N 238.334 2.855 0 40 BFAB O=Cc1ccnc2cc(Br)ccc12 1526907 BNUQJWAXEJHBKG-UHFFFAOYSA-N 236.068 2.810 0 40 BFAB CCN1CCC2(CC1)COCc1ccccc12 1869814 RNBCAUWBFXZVMD-UHFFFAOYSA-N 231.339 2.570 0 40 BFAB CCCCOC(=O)O[C@H](C)C(=O)OCCCC 2041776 XOCVAKNKZYRMDE-SNVBAGLBSA-N 246.303 2.672 0 40 BFAB CCN1C2=NCCCN2c2cc(C)c(C)cc21 2473790 CBCXUXFBUQFYCO-UHFFFAOYSA-N 229.327 2.709 0 40 BFAB C[C@H](CC(=O)O)Sc1ccc(F)cc1 2570239 QLYYIOYEODVXCF-SSDOTTSWSA-N 214.261 2.781 0 40 BFAB O[C@@H]1O[C@H](c2ccccc2)Cc2ccccc21 3847970 YHVDJDASXIMISF-LSDHHAIUSA-N 226.275 2.992 0 40 BFAB biogenic N[C@H]1CCc2c(Cl)cc(Cl)cc21 8699608 CWQMXJLBEVRHSZ-VIFPVBQESA-N 202.084 2.939 0 40 BFAB OCCSCc1ccc(Br)cc1 19094163 SDIQKFMFLRFZFU-UHFFFAOYSA-N 247.157 2.675 0 40 BFAB CCN(C[C@@H]1CCCCN1)C1CCCCC1 19808867 YNCHCKQOQFLUGF-ZDUSSCGKSA-N 224.392 2.783 0 40 BFAB CC(C)(C(=O)O)c1ccc(N2CCCC2)cc1 20269662 RULCESZWTZSFEF-UHFFFAOYSA-N 233.311 2.649 0 40 BFAB in-vitro CCCOc1ccc(-c2[nH]ncc2C(=O)O)cc1 20439677 ROGUZMBSKZKWQF-UHFFFAOYSA-N 246.266 2.564 0 40 BFAB CNC(=O)Nc1ccc(C(C)(C)C)cc1 27758464 SCANLUDCBWJDHB-UHFFFAOYSA-N 206.289 2.735 0 40 BFAB COC[C@H](C)N[C@H]1C[C@H](C)CC(C)(C)C1 35708382 WKXDJQJXMDXLBS-SRVKXCTJSA-N 213.365 2.826 0 40 BFAB CCCNCc1ccc(OCC(F)F)cc1 37755461 AXBIMXQRLPQQEJ-UHFFFAOYSA-N 229.270 2.830 0 40 BFAB C=CC(=O)N1CCC[C@H]1c1ccc(OC)cc1 37828554 DCWWMZJDFQWPFD-ZDUSSCGKSA-N 231.295 2.545 0 40 BFAB NC[C@H](c1cccc(Cl)c1)N1CCCCC1 38808895 XPNKTKNBJXYUKL-CYBMUJFWSA-N 238.762 2.826 0 40 BFAB O=C(Cc1ccccc1F)NC1CCCCC1 40459368 ZFMDWNDVMVVGLW-UHFFFAOYSA-N 235.302 2.817 0 40 BFAB CCCC(=O)CC(=O)c1ccccc1F 42413568 SUHCIOCFKZWVOJ-UHFFFAOYSA-N 208.232 2.768 0 40 BFAB Cc1ccnc(C(=O)c2ccc(F)c(F)c2)c1 45028631 QPGBVDPKDQKGOM-UHFFFAOYSA-N 233.217 2.899 0 40 BFAB COc1cccc(C(=O)c2ccc(C)c(C)c2)n1 45028775 FZVXPPSHCNVIBY-UHFFFAOYSA-N 241.290 2.938 0 40 BFAB c1ccc2c(c1)CCC[C@@H]2Sc1ncn[nH]1 46875584 GJYKIPDMYHRNRX-NSHDSACASA-N 231.324 2.974 0 40 BFAB CCC[C@H](C)NC(=O)COc1c(C)cccc1C 49890856 AIDZOLMODYDBQF-ZDUSSCGKSA-N 249.354 2.987 0 40 BFAB CCCC(=O)c1cc(F)cc(F)c1O 52068538 TXBNQIXKCLSBIB-UHFFFAOYSA-N 200.184 2.653 0 40 BFAB CCOC(=O)c1ncc(-c2ccc(F)cc2)o1 61957832 LDOGOQBEYDOXAT-UHFFFAOYSA-N 235.214 2.657 0 40 BFAB CCOc1cccc([C@H](C)NC(=O)C2CC2)c1 62909720 RJYQEPMAQUGMMR-JTQLQIEISA-N 233.311 2.673 0 40 BFAB CSCCC(=O)c1ccc(C)s1 69984256 HVFLJTJGLNUGRY-UHFFFAOYSA-N 200.328 2.992 0 40 BFAB Cc1cc([C@H](C)N)cnc1N1CCCCCC1 72222491 ZMCHZWAHHHODMN-LBPRGKRZSA-N 233.359 2.790 0 40 BFAB CNc1nccnc1[C@@H]1CCCN1C1CCCC1 72356828 FBDGPSCCAKMSML-LBPRGKRZSA-N 246.358 2.598 0 40 BFAB CC(=O)c1nccn1-c1c(C)cccc1C 75394742 DYDXNGKXNNRMRZ-UHFFFAOYSA-N 214.268 2.692 0 40 BFAB Cc1ccc(C2(O)CCN(C(C)C)CC2)s1 84006871 AHOZXXPYDDZZII-UHFFFAOYSA-N 239.384 2.748 0 40 BFAB CC1CCC(CN2CCCC[C@H]2CN)CC1 84339660 VLWILGZTDXKIJV-RUXDESIVSA-N 224.392 2.626 0 40 BFAB CCO[C@@H]1C[C@H](N(C)Cc2cccnc2)C1(C)C 84800743 PXLHLFUEHUWZDW-UONOGXRCSA-N 248.370 2.717 0 40 BFAB Sc1cccc(COC[C@H]2CCCO2)c1 95738791 FCNRYGHSGONMSJ-LLVKDONJSA-N 224.325 2.671 0 40 BFAB Cc1ccccc1C(=O)N[C@@H](CCO)C(C)(C)C 96495897 JWQXLISFDZFCKX-ZDUSSCGKSA-N 249.354 2.522 0 40 BFAB CCOC(=O)CCc1cc(F)ccc1Cl 161810330 KIGPKUAMMNRJLI-UHFFFAOYSA-N 230.666 2.975 0 40 BFAB Cc1cccc(C[C@@H](OC(C)C)C(=O)O)c1C 225024390 PIDUADRUPABFAA-CYBMUJFWSA-N 236.311 2.724 0 40 BFAB C[C@H](O)[C@H]1C[C@H]1c1c(F)cccc1Cl 242688464 VQOQDOFTPMLQDE-XLPZGREQSA-N 214.667 2.963 0 40 BFAB O=C(O)c1cc(-c2ccc3ncccc3c2)on1 258360127 ZCAOVUCZBPRNGB-UHFFFAOYSA-N 240.218 2.588 0 40 BFAB CC(C)CCCN[C@@H]1CSC1(C)C 336645110 VETDJBSATWWYMG-SNVBAGLBSA-N 201.379 2.906 0 40 BFAB COCc1nn(C2CCCC2)cc1Cl 408715136 AZMITPIDBJQGIJ-UHFFFAOYSA-N 214.696 2.798 0 40 BFAB CC[C@@H](C)OCc1nn(CC)cc1Cl 408715353 KPDORIGYPHKKSK-MRVPVSSYSA-N 216.712 2.872 0 40 BFAB CCCCn1cc(Cl)c(C(=O)OCC)n1 408716251 KKHVNFYKOIFQQT-UHFFFAOYSA-N 230.695 2.513 0 40 BFAB CC(C)NC(=S)Nc1ccc(Cl)cc1N 953000220 GTHPWTOCJNORAH-UHFFFAOYSA-N 243.763 2.617 0 40 BFAB CCC(=O)OCCCC(F)(F)C(F)(F)F 1083809110 HRQDZANPXIKUQQ-UHFFFAOYSA-N 234.164 2.917 0 40 BFAB CS(C)(=O)=Nc1cccc(Cl)c1 1776011350 BDYMFRBSMXPUPI-UHFFFAOYSA-N 203.694 2.699 0 40 BFAB CC(C)(C)c1ccc(N2CCCCC2)nn1 1888849790 LFURPJPOPKUSJR-UHFFFAOYSA-N 219.332 2.764 0 40 BFAB CSc1nccc(N2C[C@H]3CCCC[C@H]3C2)n1 1889074282 UJTQMMKOZXJBIT-PHIMTYICSA-N 249.383 2.825 0 40 BFAB CCOC(=O)Cc1csc(-c2ccccc2)n1 165463 JXKUWLHMTFDRRS-UHFFFAOYSA-N 247.319 2.916 0 40 BFAB in-vitro CCN(CC)CCCNc1ccccc1 1656257 WXFNPHZNUUIRFT-UHFFFAOYSA-N 206.333 2.830 0 40 BFAB CO[C@@H](c1ccccc1)P(=O)(OC)OC 3161494 VCFQVZPOBWHIHB-SNVBAGLBSA-N 230.200 2.818 0 40 BFAB COc1ccc(CC[C@@H]2CCCCN2)cc1 3734633 WTRWDGMEHFSTHC-ZDUSSCGKSA-N 219.328 2.770 0 40 BFAB Cc1ccccc1C(=O)Oc1cccc(O)c1 4181887 ZFDNVMBKXNZZEQ-UHFFFAOYSA-N 228.247 2.920 0 40 BFAB COc1ccc([C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)cc1 5046204 PQZDRNSTQPNVIV-XWUBHJNHSA-N 244.290 2.686 0 40 BFAB Cc1cc(C)n(C(=O)[C@@H]2C[C@H]2c2ccccc2)n1 5362248 KJGRIGIQDLUOEA-UONOGXRCSA-N 240.306 2.944 0 40 BFAB COc1cc(CNC2CC2)cc(Cl)c1OC 6650872 LMMPTCAXBFAGLP-UHFFFAOYSA-N 241.718 2.609 0 40 BFAB CC(C)COc1ccccc1CCCN 8728874 PUWXFHKDMWUWJY-UHFFFAOYSA-N 207.317 2.613 0 40 BFAB COc1cccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 12341429 AKECETWCFXSJHA-TXEJJXNPSA-N 247.338 2.813 0 40 BFAB Cc1ccc(Cn2cc[nH]c2=S)cc1 13776277 RXOMFRZVVWAXBO-UHFFFAOYSA-N 204.298 2.902 0 40 BFAB CC(=O)c1cnc(N2[C@@H](C)CCC[C@@H]2C)nc1C 14607463 YQXVLIFVEFGIBQ-UWVGGRQHSA-N 247.342 2.755 0 40 BFAB NC(=O)/C=C/c1ccc(-c2ccc(F)cc2)o1 20136327 YVKJOUXSKXGOAY-SOFGYWHQSA-N 231.226 2.584 0 40 BFAB OCCSc1ccc(O)c(Cl)c1Cl 22124738 DCJIPRSVZKIJCW-UHFFFAOYSA-N 239.123 2.783 0 40 BFAB CC(C)C(=O)N1CCC[C@@H]2CCCC[C@@H]21 32903888 WVRYGEVLVWAFDK-RYUDHWBXSA-N 209.333 2.824 0 40 BFAB CCOC(=O)/C=C/c1ccc(CC)cc1 39100934 NXQYAHYRAUTZPE-MDZDMXLPSA-N 204.269 2.825 0 40 BFAB Cn1ccnc1SCCc1ccccc1 40013431 XNEAUGLTMNKZAD-UHFFFAOYSA-N 218.325 2.755 0 40 BFAB Cc1cc(OC(C)(C)C(N)=O)cc(C)c1Cl 41285910 YGEFZLSCZSBHJK-UHFFFAOYSA-N 241.718 2.600 0 40 BFAB O=C(NCc1ccoc1)Nc1ccccc1 47687108 HGXUTVDDEDVGOZ-UHFFFAOYSA-N 216.240 2.601 0 40 BFAB Clc1cccc(CNCC2CCOCC2)c1 51924493 FLKQOCYXRDKLPG-UHFFFAOYSA-N 239.746 2.856 0 40 BFAB Cc1ccc(O[C@H](C)C(=O)N[C@@H](C)C(C)C)cc1 57160048 MMPBLLSLWDBPHS-QWHCGFSZSA-N 249.354 2.923 0 40 BFAB CCN(c1ccc(C(=O)O)cc1)C(C)C 57217582 OFIZSJNBRIZWGJ-UHFFFAOYSA-N 207.273 2.620 0 40 BFAB in-vitro CCN(CC)c1ccc2cc(OC)c(=O)oc2c1 64220069 YNKYLQBIGKAYGQ-UHFFFAOYSA-N 247.294 2.648 0 40 BFAB Cc1noc(OCc2ccccc2OC(C)C)n1 69842938 GCWNNXUBIDGKHY-UHFFFAOYSA-N 248.282 2.744 0 40 BFAB O=C(O)c1coc(Cc2ccc(Cl)cc2)n1 71548537 LOVCYJHOVDEDCM-UHFFFAOYSA-N 237.642 2.617 0 40 BFAB Cc1ccc(OC(F)(F)F)cc1CCC(=O)O 91252058 HRXITAZJWHWLCF-UHFFFAOYSA-N 248.200 2.911 0 40 BFAB Cc1cc(Br)nc(C(C)(C)C)n1 95629708 VGQLWDCIHFEGSI-UHFFFAOYSA-N 229.121 2.845 0 40 BFAB N[C@@H]1CCc2cc(C(F)(F)F)ccc21 95786059 PBRGODMRDUJDQL-SECBINFHSA-N 201.191 2.651 0 40 BFAB in-vitro COCCSCc1nc2ccccc2o1 95962402 SZGRDMCUWMNXOI-UHFFFAOYSA-N 223.297 2.707 0 40 BFAB CSCC[C@H](C)N(C)c1cc(C)nc(C)n1 95972059 WGHZQPLHPXWLSX-JTQLQIEISA-N 239.388 2.671 0 40 BFAB C[C@@]12CNC[C@](C)(CN(Cc3ccccc3)C1)C2 100479799 RPDROMBVACPETO-HZPDHXFCSA-N 244.382 2.508 0 40 BFAB biogenic FC(F)(F)c1ccccc1[C@]12CNC[C@H]1C2 146093266 ZNYIEGHDMZPTGT-LDYMZIIASA-N 227.229 2.566 0 40 BFAB CCc1ccc(N2CCN[C@@H]3CCC[C@H]32)cc1 218846112 NPOGMVVUPHQGBC-HUUCEWRRSA-N 230.355 2.580 0 40 BFAB Cc1cn(C)nc1NCc1ccc(F)s1 256049782 BKQHYLXUPBODJP-UHFFFAOYSA-N 225.292 2.541 0 40 BFAB CCc1c(Cl)ncnc1C(F)(F)F 257198153 UVLODCOOLNIVOX-UHFFFAOYSA-N 210.586 2.711 0 40 BFAB CCCCn1nccc1CO[C@H](C)CC 408716454 NFQLCMLUTODERV-LLVKDONJSA-N 210.321 2.998 0 40 BFAB CC1(C)CNCc2cnn(-c3ccccc3)c2C1 536948732 LHPXRRSWMUHYOF-UHFFFAOYSA-N 241.338 2.544 0 40 BFAB Oc1ccc(CN2CC3(CCCCC3)C2)cn1 639250523 SMAOKZNWCNXQHO-UHFFFAOYSA-N 232.327 2.553 0 40 BFAB COC(=O)[C@@H](C)CC(Cl)(Cl)Cl 162165 OVRCUXGUFNYSTQ-BYPYZUCNSA-N 219.495 2.556 0 40 BFAB O=C1c2ccccc2CN1c1cccc(O)c1 3065495 GOQRSHGRAXJTKR-UHFFFAOYSA-N 225.247 2.553 0 40 BFAB Cc1ccc(NC(=O)c2ccccn2)c(C)c1 3065512 OYSAWPNMCRVROJ-UHFFFAOYSA-N 226.279 2.951 0 40 BFAB Cc1nc2ccccn2c1C(=O)c1ccccc1 3246115 PQMFENWLZFUNGX-UHFFFAOYSA-N 236.274 2.874 0 40 BFAB N=c1sc2c(n1Cc1ccccc1)CCCC2 4164106 TVVGMYAKARPYAQ-UHFFFAOYSA-N 244.363 2.956 0 40 BFAB CCCC(=O)O[C@@H]1CCc2ccccc2C1 4775015 SKWRQMBTIMSKGJ-CYBMUJFWSA-N 218.296 2.887 0 40 BFAB O=C1CSC(=O)N1c1ccccc1Cl 6863783 HSIPWRGYFQUTDR-UHFFFAOYSA-N 227.672 2.540 0 40 BFAB CCn1c(Cc2ccccc2)nnc1SC 8089976 YGCMHYVXYTUHGN-UHFFFAOYSA-N 233.340 2.611 0 40 BFAB Cc1ccc(-c2csc3nc(CO)cn23)cc1 9238378 NMIONARWIMFPRK-UHFFFAOYSA-N 244.319 2.864 0 40 BFAB O=C1Nc2ccccc2C[C@@H]1c1ccccc1 12505383 WIGSEVPKWYDXGT-CYBMUJFWSA-N 223.275 2.965 0 40 BFAB CCSc1nc2ccccc2c(=O)n1C1CC1 12922033 CKUKUGDHXYSMOI-UHFFFAOYSA-N 246.335 2.843 0 40 BFAB Cc1cccc(OCC[C@@H]2CCCNC2)c1 14632365 YVSLKRNHMYUONI-ZDUSSCGKSA-N 219.328 2.764 0 40 BFAB O=C(Nc1cc(F)cc(F)c1)c1ccoc1 16305788 JJQTUALVOMHVES-UHFFFAOYSA-N 223.178 2.810 0 40 BFAB CCN(CC)[C@@H](CN)c1c(F)cccc1Cl 19796252 CQXUFPOTBVQJCP-NSHDSACASA-N 244.741 2.821 0 40 BFAB CCOc1cc(CNCC2CC2)ccc1OC 20086204 RYAWZAPXQTWCMS-UHFFFAOYSA-N 235.327 2.594 0 40 BFAB Cc1nc2cc(Cl)ccc2cc1C(=O)N(C)C 24802327 UAGVPMBRJLJQFV-UHFFFAOYSA-N 248.713 2.898 0 40 BFAB O=C(Nc1ccc(Cl)cn1)c1ccoc1 26088869 FGJIZYCUCNZCJD-UHFFFAOYSA-N 222.631 2.580 0 40 BFAB C[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCCc2ccccc21 29107460 KVIKCPVEKZRVPX-ZLDLUXBVSA-N 243.350 2.879 0 40 BFAB O=C(O)C[C@@H](c1cccs1)n1cccc1 32917881 FTRSAOIXKNWQMK-VIFPVBQESA-N 221.281 2.614 0 40 BFAB in-vitro CCCOC(=O)OCC(Cl)(Cl)Cl 33943828 OBWBQZDLFHYZIH-UHFFFAOYSA-N 235.494 2.920 0 40 BFAB CCCNCc1cc(OC)ccc1OC(F)F 34656038 FBORVUNDMUEPRX-UHFFFAOYSA-N 245.269 2.796 0 40 BFAB CCC(CC)N(C)C(=O)c1ccc(Cl)nc1 35208007 APHMZJQSYFGKOM-UHFFFAOYSA-N 240.734 2.996 0 40 BFAB COC(=O)c1ccc(-c2nc(C)cs2)cc1 39947596 FFONRRVXTKXMDU-UHFFFAOYSA-N 233.292 2.905 0 40 BFAB in-vitro NC(=O)c1cc(Cl)c(Cl)c(Cl)c1 45919833 VFMSTIJCEMFUBK-UHFFFAOYSA-N 224.474 2.746 0 40 BFAB Nc1ncccc1C(=O)Nc1ccc(Cl)cc1 50698737 ALYBZTSBSGTTRM-UHFFFAOYSA-N 247.685 2.570 0 40 BFAB CC[C@@H](NC(=O)C[C@@H]1C=CCC1)C(C)C 57410530 DVAFCOULTQUJSB-VXGBXAGGSA-N 209.333 2.894 0 40 BFAB Cc1cccc(C(=O)Nc2c(C)noc2C)c1 58332770 OBUDBZCTEINDCA-UHFFFAOYSA-N 230.267 2.852 0 40 BFAB CC(C)(C)C(=O)NCCSc1ccccc1 61078249 DBVJYKXTPYAYDZ-UHFFFAOYSA-N 237.368 2.941 0 40 BFAB CC(C)(C)OC(=O)NCCSC(F)(F)F 71792902 CGNIDPUTNPBQJE-UHFFFAOYSA-N 245.266 2.764 0 40 BFAB COc1ccc(-c2noc(C(C)C)n2)cc1 72183301 RPHWHAAKAKHRIY-UHFFFAOYSA-N 218.256 2.869 0 40 BFAB COc1ccc([C@@H]2CCCCN2C)c(C)n1 72218090 QJWHRMJAZKAIIA-LBPRGKRZSA-N 220.316 2.555 0 40 BFAB O=CN1CCCC[C@@H]1c1ccc2[nH]ccc2c1 72221765 SIPPVHHPGHLKQH-CQSZACIVSA-N 228.295 2.851 0 40 BFAB CC(C)Cn1cc(CNc2ccccn2)cn1 72226475 ICBUOOFKQGKYQW-UHFFFAOYSA-N 230.315 2.546 0 40 BFAB COCCSCc1nc(C)c2ccccc2n1 89568329 QBSZXFATAUUWND-UHFFFAOYSA-N 248.351 2.818 0 40 BFAB CC(C)(C)OC(=O)n1cc(C=O)c2cnccc21 90669449 WDRSHMWGKULOGC-UHFFFAOYSA-N 246.266 2.632 0 40 BFAB CCCCn1cc(-c2cc(Cl)ncn2)cn1 96524144 QQYQBIKTJCAFKP-UHFFFAOYSA-N 236.706 2.794 0 40 BFAB CC[C@@H](O)Cc1cc(C)c(OC)c(C)c1 96543503 BGRCFWWKBSCBEL-GFCCVEGCSA-N 208.301 2.625 0 40 BFAB Cc1occc1C(=O)OCCC[C@@H]1CCCO1 97113171 YMDAVHRGDVDCPA-NSHDSACASA-N 238.283 2.704 0 40 BFAB CCN(CC)[C@@H](Cc1cc(C)cc(C)c1)C(=O)O 107843841 JWOIMZFGTDSJHO-AWEZNQCLSA-N 249.354 2.641 0 40 BFAB C[C@H]1CCCCN1c1ccnc(C2CC2)n1 112963539 YXIJUPBGZSHHIM-JTQLQIEISA-N 217.316 2.733 0 40 BFAB Cc1cccc(C)c1[C@H](O)C(F)(F)F 116925452 PEQGZZCTWOHNBC-VIFPVBQESA-N 204.191 2.899 0 40 BFAB Cc1cc(C)cc(N[C@H]2CCCC[C@@H]2N)c1 145311545 DAAMSTPRPNAJAZ-KBPBESRZSA-N 218.344 2.985 0 40 BFAB CC(C)Cn1ccnc1NC(=O)c1ccsc1 150046272 KASFLUYLKJXOPU-UHFFFAOYSA-N 249.339 2.853 0 40 BFAB CCc1c(C)[nH]c2cc(F)ccc2c1=O 169108934 SYICIAYEHQKANT-UHFFFAOYSA-N 205.232 2.538 0 40 BFAB C[C@@H](CCn1cccn1)OCc1ccccc1 195578307 OJRJWYXKHQGWKX-ZDUSSCGKSA-N 230.311 2.879 0 40 BFAB Fc1ccccc1-c1noc(-c2ccncc2)n1 216617581 WFSCAVTWBBBXRT-UHFFFAOYSA-N 241.225 2.938 0 40 BFAB O=C(Cc1ccc(F)cc1)N[C@@H]1C[C@H]2CC[C@@H]1C2 224522505 DIWWJNQKJPNLED-OUCADQQQSA-N 247.313 2.673 0 40 BFAB c1cnc([C@@H]2CCCN2Cc2ccsc2)cn1 257285688 PIHHLRAOJJIFFU-ZDUSSCGKSA-N 245.351 2.875 0 40 BFAB FC(F)(F)CCn1nccc1Br 408717698 OSARUAWYGYOFBU-UHFFFAOYSA-N 243.026 2.598 0 40 BFAB Cc1ncc(-c2cccc3c2OCC3)o1 848952850 KJTPNEUMZBJYFQ-UHFFFAOYSA-N 201.225 2.585 0 40 BFAB Cc1ccc(C(=O)N2CCC[C@H](C)C2)cc1 29226 GKQYDTTVHXRDCO-LBPRGKRZSA-N 217.312 2.867 0 40 BFAB Cc1cc(C)cc(NCc2cn(C)nc2C)c1 2536160 VBLGKVBNQPIPLQ-UHFFFAOYSA-N 229.327 2.957 0 40 BFAB Cc1ccc(O)c([C@H](O)c2ccccc2)c1 3111499 AHNAMZDFTFYIEE-CQSZACIVSA-N 214.264 2.782 0 40 BFAB biogenic CC(=O)Nc1cccc(NC(=O)CC(C)C)c1 3159601 FHMWCFOMYAPTGU-UHFFFAOYSA-N 234.299 2.630 0 40 BFAB COc1ccc([C@H](CC(=O)O)C(C)C)cc1 4043924 IJYNCBAHVKZWIQ-GFCCVEGCSA-N 222.284 2.910 0 40 BFAB biogenic O=C(OC[C@@H]1CCCO1)c1ccccc1Cl 4411386 VYUQVDKGRUVUGE-VIFPVBQESA-N 240.686 2.676 0 40 BFAB Cc1ccc(NC(=O)Cc2cccs2)c(O)c1 4666638 OVVJUJDZYJKENU-UHFFFAOYSA-N 247.319 2.943 0 40 BFAB CCC[C@@H](Nc1ccc(OCC)cc1)C(=O)O 8702797 KPTNEFAZZQAVQT-GFCCVEGCSA-N 237.299 2.751 0 40 BFAB CCCn1cc(CCN)c2cc(OCC)ccc21 9423096 MKNLVCSMGREPEN-UHFFFAOYSA-N 246.354 2.951 0 40 BFAB CC(C)C(=O)N1CC[C@@H](c2ccccc2)C1 11638392 NIFOYWLAVOKZNN-CYBMUJFWSA-N 217.312 2.659 0 40 BFAB COC(=O)[C@H](C)CCc1c[nH]c2ccccc12 14517491 OSINFMIOMWBGDS-SNVBAGLBSA-N 231.295 2.910 0 40 BFAB biogenic Fc1ccc(OCCC2CCNCC2)cc1 14632392 DFGHEYJILYQDTQ-UHFFFAOYSA-N 223.291 2.594 0 40 BFAB in-vitro CC(C)CCOc1ccc(CO)cc1F 20435175 GXLUUDPHFHDTMX-UHFFFAOYSA-N 212.264 2.743 0 40 BFAB CCN(CC)[C@@H](C)CNCc1ccccc1 22073550 GHYOQHQWUGEZDX-ZDUSSCGKSA-N 220.360 2.507 0 40 BFAB COc1ccc(C)cc1CCNC(=O)C=C(C)C 25827444 UDAQQTQNUJAECL-UHFFFAOYSA-N 247.338 2.629 0 40 BFAB CC(=O)Oc1cccc(C(=O)c2ccccc2)c1 32234092 FVSGBGVLSLEIMO-UHFFFAOYSA-N 240.258 2.843 0 40 BFAB O[C@H](CNCc1ccccc1)c1cccc(F)c1 34843477 XMHRYDGSTMUGDH-OAHLLOKOSA-N 245.297 2.649 0 40 BFAB COCc1ccccc1CNC(=O)CC(C)(C)C 36393949 GFJHHSINPWTBBY-UHFFFAOYSA-N 249.354 2.885 0 40 BFAB CNCCSCc1ccccc1Cl 36720690 CCFQQGXUPWTKGD-UHFFFAOYSA-N 215.749 2.793 0 40 BFAB CN(C)c1ccc(NCc2ccccc2F)cn1 36989133 BAILLMGLKWPKMW-UHFFFAOYSA-N 245.301 2.899 0 40 BFAB COc1ccc2c(c1)c(C=O)c(Cl)n2C 39216808 NWAOBRBRQUCFBQ-UHFFFAOYSA-N 223.659 2.653 0 40 BFAB Cc1cccc(C)c1C(=O)c1ncco1 43210581 CDGQRIPJZWFCKO-UHFFFAOYSA-N 201.225 2.522 0 40 BFAB c1csc([C@@H]2NCCOc3ccccc32)c1 57788909 AHTOAEDPRPJHEA-CYBMUJFWSA-N 231.320 2.820 0 40 BFAB Cc1cc(C)c2c(c1)CN(C(C)C)C2=O 67351061 JIIDTTCUWPCFBG-UHFFFAOYSA-N 203.285 2.668 0 40 BFAB CCN1CCC[C@@H]1c1ccccc1OC 69084135 RUQZDAUERWDMOB-GFCCVEGCSA-N 205.301 2.852 0 40 BFAB CC(C)c1ccc2cc(C(=O)O)n(C)c2c1 71976869 RPRKRYBBKJKTRS-UHFFFAOYSA-N 217.268 3.000 0 40 BFAB in-vitro C[C@H]1CC(CN)C[C@@H](C)N1Cc1ccccc1 72206938 RBQJXQBTKMCIJI-NNQSOWQGSA-N 232.371 2.634 0 40 BFAB CC[C@H]1CN(C(=O)NC)CC[C@H]1c1ccccc1 74798960 URJODAYDQPAKPV-GXTWGEPZSA-N 246.354 2.842 0 40 BFAB CC[C@H](C(=O)Nc1cnoc1)c1ccccc1 75170827 AJMJTLNRHZLHCZ-LBPRGKRZSA-N 230.267 2.807 0 40 BFAB NCCOC1CCC(c2ccccc2)CC1 85391797 NHSLULHUFSDQIX-UHFFFAOYSA-N 219.328 2.688 0 40 BFAB CN(CCCCCCN)CCc1ccccc1 88204527 WPINHPDTSRIMOT-UHFFFAOYSA-N 234.387 2.680 0 40 BFAB COC(=O)CCCC(=O)c1cc(C)cc(C)c1 95729468 RFNBVZZWXNDMME-UHFFFAOYSA-N 234.295 2.829 0 40 BFAB C[C@H]1CC[C@H](NCC(C)(C)CCO)C[C@@H]1C 97379734 PORANGSONGZKAI-AVGNSLFASA-N 227.392 2.809 0 40 BFAB O=c1[nH]c2cc(C(F)(F)F)ccc2cc1F 98175044 GERDDCVUMDGOSG-UHFFFAOYSA-N 231.148 2.686 0 40 BFAB CCCc1c(O)c2cccc3c2n(c1=O)CCC3 100337428 YNKWZUUUFSSUCU-UHFFFAOYSA-N 243.306 2.606 0 40 BFAB CC1(C)[C@H]2CN(c3nc(C4CC4)ns3)C[C@@H]21 102339349 WLAHBIQVKCBQAR-IUCAKERBSA-N 235.356 2.508 0 40 BFAB COc1ccc(OC)c2c1[C@H]1CC[C@H]2[C@H](O)[C@H]1C 104928443 PBLXHRFSCYJJPB-SPTRTOBYSA-N 248.322 2.675 0 40 BFAB Cc1nc(C)c(C)c(N2Cc3ccccc3C2)n1 177825358 OZMDVOFLPDYNMU-UHFFFAOYSA-N 239.322 2.922 0 40 BFAB COCOc1ccc(OC(F)(F)F)cc1 196307157 NMUKQEGNAXSNKD-UHFFFAOYSA-N 222.162 2.568 0 40 BFAB Cc1ncc(-c2noc(-c3cccs3)n2)cn1 216620010 YKZLDRMORMENAW-UHFFFAOYSA-N 244.279 2.564 0 40 BFAB O=C(c1cc(Cl)ccc1F)N1CC(CF)C1 335215095 IPXNNPXOFDMSRA-UHFFFAOYSA-N 245.656 2.521 0 40 BFAB COc1ccc([N+](=O)Nc2ccc(O)cc2)cc1 409415831 ZJWJLPQZEJCNBN-UHFFFAOYSA-O 245.258 2.838 0 40 BFAB Cc1cccc(O[C@@H](C)c2ccncc2)n1 585654994 QALRBYXKWLWLSR-NSHDSACASA-N 214.268 2.925 0 40 BFAB Cc1c[n+]2c(ccc3ccccc32)s1 1648634 JHTLLIHJUCPJDA-UHFFFAOYSA-N 200.286 2.948 0 40 BFAB CC(C)(C)NC(=O)[C@]1(Cl)C[C@H]2CC[C@@H]1C2 2535826 IDAWKBSGBCJOGP-SBMIAAHKSA-N 229.751 2.699 0 40 BFAB Cc1cccc(CSc2cc(C)[nH]c(=O)n2)c1 4314574 BGFUOGIXCIVOPK-UHFFFAOYSA-N 246.335 2.679 0 40 BFAB CC(C)(N)Cc1ccccc1Br 5357296 RWOQONCOSDNAGA-UHFFFAOYSA-N 228.133 2.729 0 40 BFAB CC(C)c1ccncc1Br 5482036 WSNTVJABNWFYPA-UHFFFAOYSA-N 200.079 2.968 0 40 BFAB O=[N+]1C=C(c2ccccc2)N(O)[C@H]2CCCC[C@H]21 6229174 BXRVULKUDXECHN-OLZOCXBDSA-N 245.302 2.780 0 40 BFAB COc1ccccc1NC(=O)c1ccoc1C 6254745 DNJHONSIVOPDLF-UHFFFAOYSA-N 231.251 2.849 0 40 BFAB S=C(Nc1cccnc1)N[C@H]1C[C@H]2CC[C@@H]1C2 12597976 ONMQNDJMGPVZQX-UMNHJUIQSA-N 247.367 2.557 0 40 BFAB Cc1ccnc(-n2c(C)c(C)c(C=O)c2C)c1 22122423 VFQJRQKNOIGDJU-UHFFFAOYSA-N 228.295 2.918 0 40 BFAB CC(C)CC(=O)Nc1ccc2c(c1)OCCCO2 24858679 LSXNVFGLRNDEAW-UHFFFAOYSA-N 249.310 2.833 0 40 BFAB Fc1ccc(-c2nnc(S)n2C2CC2)cc1 26443331 ITVWGJNPUKRZRF-UHFFFAOYSA-N 235.287 2.708 0 40 BFAB COC(=O)CCn1c(C)c(C)c2ccccc21 28296821 OMOAHBRDJFOHNF-UHFFFAOYSA-N 231.295 2.821 0 40 BFAB O=C(O)[C@@H]1C[C@@H]1c1ccc(OC(F)(F)F)cc1 37380728 IYYOCNQIQCLRHF-RKDXNWHRSA-N 246.184 2.773 0 40 BFAB CC(C)(O)COc1ccc(Br)cc1 37695405 OQEFXIZFKZLIHQ-UHFFFAOYSA-N 245.116 2.599 0 40 BFAB OC(=C\C1=NCCN1)/C=C/c1cccc(Cl)c1 62716128 BDXCHKAHPQCEKL-RBCGRJENSA-N 248.713 2.797 0 40 BFAB Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1 75772220 HZRKIQZSTBBORH-JTQLQIEISA-N 241.766 2.925 0 40 BFAB in-vitro Cc1cccc(CN2CCC([C@H](C)O)CC2)c1 78643137 DIOBXBIKTPJITP-ZDUSSCGKSA-N 233.355 2.588 0 40 BFAB NCc1ccc(Cl)c(OC(F)(F)F)c1 83354254 XZZFTTABTJCTSR-UHFFFAOYSA-N 225.597 2.697 0 40 BFAB CCC(=O)NC[C@@H](CC)c1ccccc1 84733596 PFOIGHSPUCPDKP-LLVKDONJSA-N 205.301 2.706 0 40 BFAB Cc1cnc(Cl)nc1-c1cccnc1 85788837 YLXQNCYVIWONQH-UHFFFAOYSA-N 205.648 2.500 0 40 BFAB Cc1ccc(CC(=O)Nc2c(C)noc2C)cc1 89632192 GRTREAHCSXALQW-UHFFFAOYSA-N 244.294 2.781 0 40 BFAB Cc1cccc([C@@H](C)Sc2cn[nH]n2)c1 89669126 ZLEILELGHBPPOT-SECBINFHSA-N 219.313 2.966 0 40 BFAB Nc1cc(Cl)cnc1SC(F)(F)F 95918436 WTESFYZNKPIBAS-UHFFFAOYSA-N 228.626 2.929 0 40 BFAB CCOC(=O)c1[nH]c2c(C)cc(OC)cc2c1C 96345923 KOSVYBRMZXEOQQ-UHFFFAOYSA-N 247.294 2.970 0 40 BFAB CCOC(=O)c1cnn(C2CCC2)c1C(F)F 96529580 RDAVRCRCTOVOSS-UHFFFAOYSA-N 244.241 2.722 0 40 BFAB Cc1cc(O)n2nc(-c3ccccc3)c(C)c2n1 100573794 MCIPWXXHHQAEOC-UHFFFAOYSA-N 239.278 2.719 0 40 BFAB C[C@H](CO)N[C@H]1C[C@@H](c2ccccc2)C1(C)C 123001955 BUHSTDYMOSNGSY-XBFCOCLRSA-N 233.355 2.539 0 40 BFAB OCC1(N[C@H]2CC[C@H](Cc3ccccc3)C2)CC1 188429387 CKOIGUFMENFNNK-CABCVRRESA-N 245.366 2.512 0 40 BFAB Cc1cccc(N2CCN[C@@H]3CCC[C@@H]32)c1C 225717188 PXWYSOUCLNXSRV-HIFRSBDPSA-N 230.355 2.634 0 40 BFAB Cc1nn(C)c2c1CC[C@@H](C(C)(C)C)N2 225815245 SYDWTBRFSXFXAS-JTQLQIEISA-N 207.321 2.501 0 40 BFAB COc1c(C)c(O)c(C)c(O)c1C(=O)C(C)C 238783988 XSRVOTDOTHTRED-UHFFFAOYSA-N 238.283 2.562 0 40 BFAB biogenic,in-vitro CCCOCc1nn(CC(F)F)cc1Cl 408715126 APDUKJKQUSECRD-UHFFFAOYSA-N 238.665 2.728 0 40 BFAB Cc1cncc(-c2cn(C)nc2C(F)(F)F)c1 623169063 GECOOHCSFNPUAH-UHFFFAOYSA-N 241.216 2.809 0 40 BFAB CCOC(=O)c1cc(-c2ccccc2C)no1 266293 QLSFKTQHGBRXSI-UHFFFAOYSA-N 231.251 2.827 0 40 BFAB CC[C@H](C)C(=O)Nc1ccc(NC(C)=O)cc1 365297 IYKKYOYUJUQWGX-VIFPVBQESA-N 234.299 2.630 0 40 BFAB CC(C)Cc1nnc(NC(=O)C(C)(C)C)s1 3016606 NPPAXDVNGAKXHV-UHFFFAOYSA-N 241.360 2.721 0 40 BFAB O=C1O[C@@H](c2ccccn2)Cc2ccccc21 3847757 NHTXGOSDERQSCI-CYBMUJFWSA-N 225.247 2.536 0 40 BFAB biogenic C[C@@H]1CN(C)[C@H](C)C[C@@H]1OC(=O)c1ccccc1 4785790 CFHMFMSIDMLAND-BZPMIXESSA-N 247.338 2.572 0 40 BFAB CCOC(=O)CC1=CC(O)=Nc2ccccc2N1 5250271 NDGDBPDXUSFOML-UHFFFAOYSA-N 246.266 2.537 0 40 BFAB O=C(CSCc1ccccc1)N1CCCCC1 6282348 CONZMFINKVPWKL-UHFFFAOYSA-N 249.379 2.932 0 40 BFAB Cc1nn(-c2ccccc2)c2sncc12 6527703 KFKACXDRAQUVSD-UHFFFAOYSA-N 215.281 2.790 0 40 BFAB Cc1ccccc1C(=O)NCCCOC(C)C 8570964 YLGDLYNMNSHUBY-UHFFFAOYSA-N 235.327 2.540 0 40 BFAB CC(=O)NC(=S)Nc1ccc2ccccc2c1 9064216 FCSGGFDNXCYDPI-UHFFFAOYSA-N 244.319 2.673 0 40 BFAB CCC(=O)Nc1nc(C(C)(C)C)cs1 13017200 MMDOQSYMZSFUFC-UHFFFAOYSA-N 212.318 2.789 0 40 BFAB COc1ccc(OC)c(CNc2cccnc2)c1 19884491 CHSSHMNZPDZQDK-UHFFFAOYSA-N 244.294 2.711 0 40 BFAB CC1CCC(N2CCN(C(C)C)CC2)CC1 19900128 YETTXOZSCGMQTH-UHFFFAOYSA-N 224.392 2.591 0 40 BFAB O=C(Nc1ccc(F)c(Cl)c1)n1cccn1 28227209 OUNMHIZGCMRGIN-UHFFFAOYSA-N 239.637 2.756 0 40 BFAB CNc1nc(-c2ccccc2)c(NC(C)=O)s1 28405573 SZRLQONBZZEQGV-UHFFFAOYSA-N 247.323 2.810 0 40 BFAB CN(C(=O)[C@@H]1CC=CCC1)C1CCCC1 32845555 WLJOSPIAXDOJBY-LLVKDONJSA-N 207.317 2.744 0 40 BFAB O=C(NCCc1ccc(F)cc1)[C@@H]1CC=CCC1 36395754 YPENJHIBSMFXCP-CYBMUJFWSA-N 247.313 2.841 0 40 BFAB NCCn1c(C2CCCC2)nc2ccccc21 38478280 DVONGLVRXURQCK-UHFFFAOYSA-N 229.327 2.653 0 40 BFAB OCCCc1ccc(Cl)cc1Cl 39018588 NUNJMARRFKAAIM-UHFFFAOYSA-N 205.084 2.918 0 40 BFAB Oc1cccc(-c2nc(-c3cccnc3)no2)c1 40542118 RKRJROVDUOPCQO-UHFFFAOYSA-N 239.234 2.504 0 40 BFAB CN(Cc1ccccc1)C(=O)c1cc(Cl)c[nH]1 44872113 MBXZZFFVPZHHJM-UHFFFAOYSA-N 248.713 2.940 0 40 BFAB O=C(c1cccc(F)c1F)C(F)(F)F 69640587 YJJOYDXULMKYLC-UHFFFAOYSA-N 210.101 2.710 0 40 BFAB N[C@@H]1C[C@@H]1c1ccc(-c2ccc(F)cc2)o1 70453096 MQJNXLOWTVHZCF-WDEREUQCSA-N 217.243 2.900 0 40 BFAB CN1CCCC[C@H]1c1ccc(NC2CC2)nc1 72213793 UHESTQSWMMCWLI-ZDUSSCGKSA-N 231.343 2.813 0 40 BFAB Clc1nc2cccnc2n2nc(C3CC3)cc12 72332528 RGFCMSUSPCUKOS-UHFFFAOYSA-N 244.685 2.808 0 40 BFAB O=C1CCc2sc(Br)cc21 82369408 YSGWNYYXJIIWDG-UHFFFAOYSA-N 217.087 2.640 0 40 BFAB O=C(O)C1(Oc2cccc(C(F)(F)F)c2)CC1 85392202 VJIDEDRGXRTHFN-UHFFFAOYSA-N 246.184 2.701 0 40 BFAB CC(=O)c1cc(Br)cc(Cl)n1 95761420 CBQHNDYMWWBUOG-UHFFFAOYSA-N 234.480 2.700 0 40 BFAB CCCC(=O)N[C@@H](C)c1c(F)cccc1OC 96425694 DGVODMMTDKYMDL-VIFPVBQESA-N 239.290 2.812 0 40 BFAB S=C1N=C(c2ccccc2)[C@H]2C=CC=CN12 108420283 UUJUNFVVCMJXAI-LLVKDONJSA-N 226.304 2.528 0 40 BFAB C[C@H](CO)N[C@H]1CCCC[C@H]1C(C)(C)C 135075033 BQGYIJXCKRVMCN-UTUOFQBUSA-N 213.365 2.562 0 40 BFAB CC(=O)OCC(=O)c1cc(Cl)ccc1Cl 196870767 DCKXNVJSOPCHKO-UHFFFAOYSA-N 247.077 2.739 0 40 BFAB CC(=O)OC(C)(C)C(=O)c1ccc(C)s1 382675879 QAGVDMPJSJOZDV-UHFFFAOYSA-N 226.297 2.581 0 40 BFAB CC(C)CC1CC(c2n[nH]cc2C(=O)O)C1 685937805 SLDNRARKRCAIQI-UHFFFAOYSA-N 222.288 2.648 0 40 BFAB CCCN[C]1CCc2c(cccc2OC)C1 1560411642 BKLRFLQWMVNIOJ-UHFFFAOYSA-N 218.320 2.715 0 40 BFAB CCOC(=O)CCc1c[nH]c2c(F)cccc12 1857793190 DIPCJIGLDZDNHE-UHFFFAOYSA-N 235.258 2.803 0 40 BFAB Cc1ncn(-c2ccc(C)c(Cl)c2)n1 2362803526 IMKBRMWUFRAVIG-UHFFFAOYSA-N 207.664 2.538 0 40 BFAB Nc1cccc(-c2nnc(-c3ccccc3)o2)c1 333224 DOYLAQBXDHFRFB-UHFFFAOYSA-N 237.262 2.986 0 40 BFAB CC1(C)CC2=NN[C@H](c3ccccc3)[C@@H]2CO1 366208 UONGMZHJAAXUGM-DGCLKSJQSA-N 230.311 2.502 0 40 BFAB CCCn1cnc(C(=O)c2ccc(Cl)cc2)n1 377998 ZWLHPJOVHXTRSE-UHFFFAOYSA-N 249.701 2.573 0 40 BFAB CC1CCN(C(=O)CCc2ccccc2)CC1 493245 SASBACWFBCBINC-UHFFFAOYSA-N 231.339 2.878 0 40 BFAB CCOC(=O)c1oc2cc(O)cc(C)c2c1C 1662604 TYQJFBHDTWVFNZ-UHFFFAOYSA-N 234.251 2.932 0 40 BFAB CO[C@@H]1Nc2ccccc2-c2ccccc2C1=O 1723095 BPUNLJRFFKFBHQ-HNNXBMFYSA-N 239.274 2.934 0 40 BFAB Brc1cccc2c1C[n+]1ccccc1-2 1870625 CKWMAVMJLHVDTA-UHFFFAOYSA-N 247.115 2.765 0 40 BFAB CC(=O)c1ccc(-c2ccc(N)cc2)o1 3066270 ZLNIJXUKXMPEED-UHFFFAOYSA-N 201.225 2.731 0 40 BFAB CCCC(=O)O[C@@H](C)COc1ccccc1 5523345 HHGHNLAJUQONRU-NSHDSACASA-N 222.284 2.797 0 40 BFAB c1cncc(CNc2nncc3ccccc23)c1 6393545 LPLNHHRXFCDFOQ-UHFFFAOYSA-N 236.278 2.637 0 40 BFAB O=C(NC1CCCC1)c1ccc(Cl)o1 12953605 VZSMLZSLBBDQPT-UHFFFAOYSA-N 213.664 2.605 0 40 BFAB CSc1ccccc1-c1nnc(S)o1 15924014 FWDJIBHZKZYFRV-UHFFFAOYSA-N 224.310 2.747 0 40 BFAB CCN(C[C@H]1CCCNC1)C1CCCCC1 19435642 PHFCZQZHJYWZDT-ZDUSSCGKSA-N 224.392 2.641 0 40 BFAB CCOc1ccc(C(=O)O[C@@H](C)CC)cc1N 20155552 WZJATTJPTTUJBX-VIFPVBQESA-N 237.299 2.623 0 40 BFAB Sc1nc(CN2CCCC2)nc2ccccc12 31773350 XZBJHYXIAXGQQD-UHFFFAOYSA-N 245.351 2.514 0 40 BFAB CC(C)(C)OC(=O)NCCCc1nccs1 38213040 XHTMTFUGAQMYFM-UHFFFAOYSA-N 242.344 2.600 0 40 BFAB COc1cc(Br)c(N)cc1Cl 39320490 OYKPVXIOTZMOKW-UHFFFAOYSA-N 236.496 2.693 0 40 BFAB C1CCCN(CN2CCCCCC2)CC1 39616695 AABDVYQCZLGQGH-UHFFFAOYSA-N 210.365 2.696 0 40 BFAB CC(C)CSCC(=O)NC1CCCCC1 40059291 YHSMBSNJPGOTAZ-UHFFFAOYSA-N 229.389 2.825 0 40 BFAB CC[C@@H]1CCCCN1C(=O)c1ccoc1 40474245 YKBWVZDLXGOXME-LLVKDONJSA-N 207.273 2.684 0 40 BFAB Cc1cccc(-n2nnnc2SC(C)C)c1C 48398009 ISRRRGVPBICRRE-UHFFFAOYSA-N 248.355 2.780 0 40 BFAB CC(C)NCc1cc(-c2ccc(F)cc2)n[nH]1 50479183 LCIKSJJDXGNHQQ-UHFFFAOYSA-N 233.290 2.714 0 40 BFAB CCOC(=O)c1coc(Cc2ccc(F)cc2)n1 59101852 QPHVUIKOGSOPIQ-UHFFFAOYSA-N 249.241 2.581 0 40 BFAB CCO[C@@H](CN)c1ccc2ccccc2c1 62711941 DXRCXYSYKJLDCZ-AWEZNQCLSA-N 215.296 2.876 0 40 BFAB Nc1nc(-c2ccccc2)ccc1Cl 71256187 ZFEVTDDOYKEBMW-UHFFFAOYSA-N 204.660 2.984 0 40 BFAB O=C(c1ccc(Cl)s1)N1CCSC1 71847166 JZNZRZXDONSZHW-UHFFFAOYSA-N 233.745 2.548 0 40 BFAB CCC(CC)CNC(=O)c1ccc2c(c1)OCO2 71847795 VEOMFJGTXRHORN-UHFFFAOYSA-N 249.310 2.581 0 40 BFAB O=C(O)c1c(Cl)ccc2cccnc12 71974032 XLHOYRWQJYJQGZ-UHFFFAOYSA-N 207.616 2.586 0 40 BFAB in-vitro CCN1CCC[C@H]1c1ccc(OC)nc1C 72218068 MMKQKUZRIJAQFZ-LBPRGKRZSA-N 220.316 2.555 0 40 BFAB Cc1cc(CN)cnc1SC(C)(C)C 72222814 MPMVRKXHIYSEIJ-UHFFFAOYSA-N 210.346 2.739 0 40 BFAB CCOc1cc(C)c([C@H](N)c2ccccc2)cn1 72223137 GWXKUHQCXBWTCA-OAHLLOKOSA-N 242.322 2.837 0 40 BFAB FC(F)(F)C1CCN(c2ccccn2)CC1 78558700 KOYULLUYSHDLTL-UHFFFAOYSA-N 230.233 2.860 0 40 BFAB COCCC(=O)N(C)c1ccc(C)c(Cl)c1 79093332 XVGVPVJVNJHPGA-UHFFFAOYSA-N 241.718 2.648 0 40 BFAB NCC1(c2cc(Br)ccc2F)CC1 83256623 YNFOGDKBNZANQB-UHFFFAOYSA-N 244.107 2.579 0 40 BFAB CC(C)(C)c1cccc2[nH]c(=O)c(F)cc12 96171843 FNGQIAIVLSHTJF-UHFFFAOYSA-N 219.259 2.965 0 40 BFAB C[C@@H](C1CC1)N(C(=O)c1ccncc1F)C1CC1 96420473 JSHQMARPCQMMCQ-VIFPVBQESA-N 248.301 2.624 0 40 BFAB NC[C@@H]1CCCCN1CC1(c2ccccc2)CC1 96523583 GWNXUDVTZDWXEF-HNNXBMFYSA-N 244.382 2.531 0 40 BFAB CC1=C[C@H](c2ccc(C)cc2)n2ncnc2N1 101580398 NWFUTQQIAZYMGH-GFCCVEGCSA-N 226.283 2.505 0 40 BFAB O=C(O)/C(S)=C\c1c[nH]c2ccc(F)cc12 103858016 HWMQHECFXSVZGN-XCVCLJGOSA-N 237.255 2.662 0 40 BFAB CCCn1nc(C)c(-c2ccc(C(=O)O)o2)c1C 104299498 PTTOIOFJLBPMPR-UHFFFAOYSA-N 248.282 2.868 0 40 BFAB O=C1c2ccccc2CN1c1ccccc1F 167622283 NZRNYVDTASOZQS-UHFFFAOYSA-N 227.238 2.986 0 40 BFAB Cc1cc(NCc2cccnc2)cc(C)c1N 223773761 XCHPAYGLLIRRNU-UHFFFAOYSA-N 227.311 2.893 0 40 BFAB CCNC(=S)Nc1cccc(OC(C)C)c1 225269978 DUFUQAVKUYDQOS-UHFFFAOYSA-N 238.356 2.780 0 40 BFAB CCOc1ccc(CNc2cccnc2)cc1O 257198031 QSYIZTLKSDWITR-UHFFFAOYSA-N 244.294 2.798 0 40 BFAB CC(=O)Nc1cc(OC(F)(F)F)ccc1C 261508980 YTZZIGHUUGNMFX-UHFFFAOYSA-N 233.189 2.852 0 40 BFAB COc1c2c(cc(O)c1C(C)=O)OC(C)(C)C=C2 1596691 YZCIFCCSUSQBBT-UHFFFAOYSA-N 248.278 2.788 0 40 BFAB biogenic O=C(Cc1ccccc1)Nc1ccc(O)cc1 3078114 ILNAPSWOMKUSNJ-UHFFFAOYSA-N 227.263 2.573 0 40 BFAB O=C(Nc1ccccc1)OCCN1CCCCC1 4832953 WSYSHLQCHIOWNM-UHFFFAOYSA-N 248.326 2.721 0 40 BFAB C[C@@]12CC[C@@H](C(=O)C1)[C@@]1(C)CCCC(=O)[C@H]21 5029051 UEPGLNMUFRMDAW-KQURDKLPSA-N 220.312 2.751 0 40 BFAB COP(=O)(OC)[C@H]1C[C@H]2CC[C@@H]1C2 5051727 AFYAXLIVZXULKL-YIZRAAEISA-N 204.206 2.661 0 40 BFAB Cc1ccc(C(=O)NC2CCCCC2)o1 6301828 NTDCZYXLAUSBLA-UHFFFAOYSA-N 207.273 2.651 0 40 BFAB O=C(Nc1ccc(Cl)cc1F)[C@@H]1CCCO1 6321135 UAHCXMMEQZCSHC-JTQLQIEISA-N 243.665 2.597 0 40 BFAB CC(C)CSc1n[nH]c2nc3ccccc3n12 6503538 VNUQAPCFQSENAD-UHFFFAOYSA-N 246.339 2.959 0 40 BFAB CCCNCc1cccc(OC)c1OCC 7262404 FDRHMAFBSCYIEW-UHFFFAOYSA-N 223.316 2.594 0 40 BFAB CSCC(=O)N[C@@H]1CCCc2ccccc21 7264005 DPNOBFNGSOXGRA-GFCCVEGCSA-N 235.352 2.543 0 40 BFAB Cc1nc(-c2ccc3c(c2)CC(=O)N3C)cs1 8270331 ZBEXFNOIOKBKIV-UHFFFAOYSA-N 244.319 2.637 0 40 BFAB in-vitro CC(C)(C)c1nnc([C@@H](N)Cc2ccccc2)o1 11586930 STMMRHAUCXVLCN-NSHDSACASA-N 245.326 2.610 0 40 BFAB C[C@H]1C[C@H]1C(=O)Nc1cccc2cccnc12 12972115 PIEGJDNAXPKJAG-GXSJLCMTSA-N 226.279 2.829 0 40 BFAB C[C@@H](O)c1cccc(OC(F)(F)F)c1 15442962 BWANKNAGTRWECQ-ZCFIWIBFSA-N 206.163 2.639 0 40 BFAB O=C(Nc1ccc(Cl)cc1)N1CCSC1 16428346 PEADLIUWQUYCCN-UHFFFAOYSA-N 242.731 2.878 0 40 BFAB O=C1Nc2ccc(-c3ccccc3F)cc2C1=O 16948184 UJBHIEDHHSRZMH-UHFFFAOYSA-N 241.221 2.628 0 40 BFAB C=C/C=C/NC(=O)OCc1ccccc1 17121008 LSQDRSXFUSBRBP-YCRREMRBSA-N 203.241 2.613 0 40 BFAB CCCc1cc(=O)c2cc(C)ccc2[nH]1 19721996 GQBLIEIZISNQGM-UHFFFAOYSA-N 201.269 2.789 0 40 BFAB Cc1ccccc1CNc1ccc(C(N)=O)cc1 19911132 DUYAPVMGZRIXTH-UHFFFAOYSA-N 240.306 2.706 0 40 BFAB C[C@]1(C(=O)O)CC[C@H]2C(Br)=C[C@@]21C 19911416 XVYWNXXKUFDIRD-QUNWWBBNSA-N 245.116 2.786 0 40 BFAB biogenic C[C@](Cc1nc2ccccc2[nH]1)(C(=O)O)C1CC1 20285215 ZNQVCTBFPDXIKI-CQSZACIVSA-N 244.294 2.606 0 40 BFAB CN(Cc1cccc(Cl)c1)C(=O)C1CC1 32967263 OLVMOVFQJMKMNW-UHFFFAOYSA-N 223.703 2.708 0 40 BFAB COc1ccc(Oc2ccc(C(=O)O)nc2)cc1 33866530 DUABAGMUALWLPS-UHFFFAOYSA-N 245.234 2.581 0 40 BFAB O=C1CCCC[C@@H]1OCc1ccccc1 34622705 DAAFSJHSNQOYMU-ZDUSSCGKSA-N 204.269 2.715 0 40 BFAB in-vitro CC(=O)CSc1ccc(F)c(F)c1 35013895 BDJDDLMIGAPKDU-UHFFFAOYSA-N 202.225 2.646 0 40 BFAB CCCOC(=O)c1ccc(OCCC)c(N)c1 36225783 GTIRGMSQSUTQHW-UHFFFAOYSA-N 237.299 2.624 0 40 BFAB CCC[C@@H](N)CN(CC)C1CCCCC1 36873565 BRNZWPHGIOSMBX-GFCCVEGCSA-N 212.381 2.768 0 40 BFAB CCCN1CCN(c2ccccc2OCC)CC1 40119927 MWDYUBKYEICBTG-UHFFFAOYSA-N 248.370 2.617 0 40 BFAB Cc1ccc(NC(=O)COCC(F)(F)F)cc1 40481117 DVHQBYLTPWCVKN-UHFFFAOYSA-N 247.216 2.512 0 40 BFAB CCc1cc(O[C@H]2CCNC2)ccc1Cl 42775833 LESYZGPPVZBOOY-NSHDSACASA-N 225.719 2.643 0 40 BFAB CCOC(=O)C(=O)c1csc2ccccc12 42898680 XVPAIEGAQRHOHS-UHFFFAOYSA-N 234.276 2.647 0 40 BFAB CCC[C@@H](C)NC[C@H](C)C(=O)OC(C)(C)C 47219016 ZYJPKZJOIAGTIK-WDEREUQCSA-N 229.364 2.742 0 40 BFAB C[C@H](CCc1ccco1)NC(=O)C1CCCC1 47741184 WECVNWVZMXLHRP-LLVKDONJSA-N 235.327 2.907 0 40 BFAB O=C(Nc1ccccn1)N1CCc2ccccc21 48348553 QFGGJGPKRXTGFA-UHFFFAOYSA-N 239.278 2.676 0 40 BFAB O=C(O)CSc1ccccc1C(F)(F)F 51692023 AYZIBBGBPJQOLI-UHFFFAOYSA-N 236.214 2.882 0 40 BFAB Cc1cc(-c2nc(-c3ccco3)no2)ccc1N 54444810 UHGHPFDJKNFTKL-UHFFFAOYSA-N 241.250 2.887 0 40 BFAB COc1ccc(NCc2cncs2)cc1F 54770504 VJJAJSDNGLPSAY-UHFFFAOYSA-N 238.287 2.903 0 40 BFAB c1ccc(Cc2noc(-c3ccncc3)n2)cc1 69846160 AFFHQUHBWKBUCS-UHFFFAOYSA-N 237.262 2.722 0 40 BFAB Cc1cc(O)ncc1[C@@H]1CCCN1C(C)C 72218139 HHRLKFXTHATAHE-LBPRGKRZSA-N 220.316 2.641 0 40 BFAB c1ccc(CN2CCC[C@@H]2c2cc[nH]n2)cc1 72381194 YKURERBCNYSERC-CQSZACIVSA-N 227.311 2.747 0 40 BFAB Cc1cc(-c2ccccc2)[nH]c1C(=O)O 74212639 QXORJYQIJUIMIT-UHFFFAOYSA-N 201.225 2.688 0 40 BFAB O=C(O)c1cc(-c2ccc(F)cc2)ns1 75396317 KLFSXVLSWICGTA-UHFFFAOYSA-N 223.228 2.647 0 40 BFAB c1ccc(-c2noc(CCc3ccco3)n2)nc1 78773806 FKYWYAVNOIASNZ-UHFFFAOYSA-N 241.250 2.510 0 40 BFAB CC[C@H]1Oc2ccc(Br)cc2C1=O 82759576 AZSKURUNNPHUPG-MRVPVSSYSA-N 241.084 2.803 0 40 BFAB C[S@@](=O)Cc1cccc(NCC2CCC2)c1 95990858 VTKFJEWBRCMHRW-INIZCTEOSA-N 237.368 2.777 0 40 BFAB C/C(=C/C(N)=O)c1cccc(C(F)(F)F)c1 96430453 JRCVCLRUMWCQAP-ALCCZGGFSA-N 229.201 2.594 0 40 BFAB CC(C)(C)[C@@H]1CC[C@@H](C(F)(F)F)CN1 96509836 JRHFIUMBLINUGK-SFYZADRCSA-N 209.255 2.963 0 40 BFAB Cc1ccc(CN2CCCC[C@@H]2CCO)s1 97032532 CMAYCNUPUIVVSE-GFCCVEGCSA-N 239.384 2.793 0 40 BFAB Oc1cc(C(F)F)nn1-c1ccc(F)cc1 110768415 HBHKANWEYFZHHK-UHFFFAOYSA-N 228.173 2.655 0 40 BFAB CNCc1cccn1-c1ccc(Cl)cc1 113704122 VQAJEQOBLPYEGI-UHFFFAOYSA-N 220.703 2.850 0 40 BFAB C(=C/c1ccncn1)\c1ccc2c(c1)CCO2 157318932 YKEDFJXZKWXCFR-HNQUOIGGSA-N 224.263 2.582 0 40 BFAB CCN[Si](C)(NCC)C1CCCCC1 203668397 ZKRXPJRHHDUGEL-UHFFFAOYSA-N 214.429 2.612 0 40 BFAB Cc1ccc(N[C@@H]2CCCC[C@@H]2N)c(C)c1 218861491 LPIYJBLJVCPZGY-GXTWGEPZSA-N 218.344 2.985 0 40 BFAB CCNCc1cccn1-c1cccc(OC)c1 223688310 VKILYMXLOKCMKG-UHFFFAOYSA-N 230.311 2.595 0 40 BFAB COC(=O)c1nc(-c2cccc(Cl)c2)c[nH]1 256054797 XVMMUYBSMKJBRH-UHFFFAOYSA-N 236.658 2.517 0 40 BFAB CC[C@H](C)OCc1ccnn1C(F)F 408716765 QQZVBDBYJAMBCC-ZETCQYMHSA-N 204.220 2.593 0 40 BFAB FC(F)c1cc(N[C@@H]2CC=CCC2)ncn1 670893181 UQYHABGOKYHDPL-MRVPVSSYSA-N 225.242 2.935 0 40 BFAB O=c1[nH]c2ccc(NCc3cccs3)cc2[nH]1 308527 IMRKTPVKHSGJLY-UHFFFAOYSA-N 245.307 2.530 0 40 BFAB COc1ccc([C@@H](C)NCc2cccnc2)cc1 385594 KQALNNBYWOQVTE-GFCCVEGCSA-N 242.322 2.941 0 40 BFAB S=c1[nH]cnc2c1ncn2[C@H]1C=CCCC1 1589877 QBUASACHPIAAOE-QMMMGPOBSA-N 232.312 2.770 0 40 BFAB CC[C@H](C)c1ccc(O[C@H]2CCNC2)cc1 14632246 NFVXUXZEGMODPO-FZMZJTMJSA-N 219.328 2.941 0 40 BFAB CC[C@@H](C)Oc1ccc(C(=O)O)cc1OC 20217271 KLHOKECCWSQVJS-MRVPVSSYSA-N 224.256 2.571 0 40 BFAB Cc1c(NCc2cc(F)ccc2F)cnn1C 20354247 NRYGRCPNJCCMOL-UHFFFAOYSA-N 237.253 2.619 0 40 BFAB C[C@@H]1C[C@@H]1C(=O)Nc1nc(C2CC2)cs1 25560553 QAFGZNIKOOFRDJ-SVRRBLITSA-N 222.313 2.615 0 40 BFAB Nc1nc(-c2ccccn2)cc2ccccc12 27314999 SZYOCGSGLNKIQO-UHFFFAOYSA-N 221.263 2.879 0 40 BFAB O=C(C[C@H]1C=CCC1)NCc1cccs1 32739221 DNFTXZLHSJRXPJ-JTQLQIEISA-N 221.325 2.721 0 40 BFAB Cn1cc(NCc2ccc(Cl)s2)cn1 35737551 QNGJBYWXBJNFBV-UHFFFAOYSA-N 227.720 2.747 0 40 BFAB COC(=O)c1ccccc1NC1CCCC1 36891419 BIXOUDDOWSNVOO-UHFFFAOYSA-N 219.284 2.828 0 40 BFAB in-vitro COc1ccc(C=O)c(C(C)C)c1OC 38235659 RXOZTBURXHTHPR-UHFFFAOYSA-N 208.257 2.640 0 40 BFAB CC[C@@H](Nc1cccc(C)c1C)C(=O)OC 40019935 TWIRCMCEIGPLTK-LLVKDONJSA-N 221.300 2.667 0 40 BFAB CCN(C(=O)[C@@H]1C[C@@H]1C)c1ccccc1 40461133 PRCBUJIYNLCWPF-CMPLNLGQSA-N 203.285 2.696 0 40 BFAB O=C(Nc1cccc(Cl)c1F)NC1CC1 40526671 AUWOVLBPTITJDS-UHFFFAOYSA-N 228.654 2.763 0 40 BFAB C[C@H](NCCn1cccn1)c1cccc(Cl)c1 42538963 QZZJMGZCSKNXCO-NSHDSACASA-N 249.745 2.887 0 40 BFAB COc1cccc(COCC[C@@H]2CCCNC2)c1 42773981 CKYOEQUWWVGGPB-ZDUSSCGKSA-N 249.354 2.602 0 40 BFAB O=C(CC(F)(F)F)N1CC[C@@H]2CCCC[C@@H]2C1 44601575 IGBRBWYENLMOSF-VHSXEESVSA-N 249.276 2.978 0 40 BFAB O=C(O)CCCCN1CCC[C@H]1C1CCCC1 45083915 KAFZQFKXTXDLIS-ZDUSSCGKSA-N 239.359 2.896 0 40 BFAB Cc1cc(-n2cc(Cl)cn2)ccc1C=O 50575447 ZTDCXXRIVARRJV-UHFFFAOYSA-N 220.659 2.647 0 40 BFAB Nc1ccccc1-c1cn2ccsc2n1 59183614 VBTRGEPXLUXABC-UHFFFAOYSA-N 215.281 2.645 0 40 BFAB CC[C@@H](C)C(=O)Nc1nc(C(C)(C)C)ns1 68072979 BGVVVNFWOUHORV-SSDOTTSWSA-N 241.360 2.820 0 40 BFAB CCc1noc(CN(CCC(C)C)C2CC2)n1 69416758 VTECLNRNCZEUIV-UHFFFAOYSA-N 237.347 2.643 0 40 BFAB Cc1cnn([C@H](C)[C@H](C)NCc2ccc(C)o2)c1 69458453 HODTVNSSNNEETQ-QWHCGFSZSA-N 247.342 2.832 0 40 BFAB CCc1ccc([C@H](C)N[C@@H]2CCOC2)cc1 70966032 RISKLTGOBDZYBK-SMDDNHRTSA-N 219.328 2.689 0 40 BFAB CC[C@H](N)c1cnc(N(CC)CC)c(C)c1 72222230 HTVGUUPTEWPFKH-LBPRGKRZSA-N 221.348 2.646 0 40 BFAB CN(C)c1cccc(C(=O)C(C)(C)C)c1 75854817 VVGXSSYQGXQYHS-UHFFFAOYSA-N 205.301 2.981 0 40 BFAB CCOC(=O)CCOc1ccc(Cl)c(F)c1 75881253 QWOVJYKPBQVHHT-UHFFFAOYSA-N 246.665 2.811 0 40 BFAB Cc1cc(Br)cc([C@@H](C)N)c1 84479934 LTOZVMUMNVAZDC-SSDOTTSWSA-N 214.106 2.777 0 40 BFAB Cc1cnc(Oc2ccccc2F)c(N)c1 85426335 JADRLUJHVRUTKL-UHFFFAOYSA-N 218.231 2.904 0 40 BFAB COC(=O)C(C)(C)c1ccccc1Cl 91692090 GFVFOOURKHKDSU-UHFFFAOYSA-N 212.676 2.791 0 40 BFAB CCOC(=O)[C@@H]1CCC[C@H]1NC1CCCCC1 95919671 IUMVOSJRWKNYJX-CHWSQXEVSA-N 239.359 2.641 0 40 BFAB CCc1noc([C@H](C)N[C@H](C)c2ccc(C)o2)n1 97374013 JAAUNIKRWSKLFV-ZJUUUORDSA-N 249.314 2.945 0 40 BFAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCC(C)C 113959192 NQUYZQYPSJOMKU-AWEZNQCLSA-N 249.354 2.925 0 40 BFAB COC(=O)c1cnc2cccc(Cl)c2c1 207057813 NXCXROVTFJJYTP-UHFFFAOYSA-N 221.643 2.675 0 40 BFAB Fc1ccc(F)c([C@@H]2CCNCCS2)c1 231562098 ZBFUUKXYILRKAN-NSHDSACASA-N 229.295 2.732 0 40 BFAB Cc1ccc(-c2ccc3c(c2)[C@@H](N)C(=O)N3)cc1 254286884 OGOQLZQTSIHECJ-CQSZACIVSA-N 238.290 2.614 0 40 BFAB C[C@@]1(C(=O)NCc2ccccc2)C[C@H]2C=C[C@H]1C2 408720796 ZPBIMERUIDHMBO-OFQRWUPVSA-N 241.334 2.905 0 40 BFAB c1ccc(OCc2ccc3c(c2)CCO3)nc1 585654085 CMHCJLRZTCIDAN-UHFFFAOYSA-N 227.263 2.596 0 40 BFAB FC(F)(F)c1ccnc(O[C@@H]2CCSC2)c1 585655126 SUGNUQIBZQGWFX-MRVPVSSYSA-N 249.257 2.985 0 40 BFAB Cc1ccc(C(=O)N2CCC[C@H](CF)C2)s1 881590936 BYHBFGKGQDEXCA-SNVBAGLBSA-N 241.331 2.878 0 40 BFAB Cc1cc(Cl)ncc1C(=O)C(F)(F)F 1504245085 SHCSZXBSNXHULE-UHFFFAOYSA-N 223.581 2.788 0 40 BFAB Cc1ccc(C(O)(C(F)(F)F)C(F)(F)F)o1 301327 MCEIQWGOLOGGER-UHFFFAOYSA-N 248.122 2.900 0 40 BFAB O=C1OC(c2cccs2)=N/C1=C/c1ccco1 430301 TUHHROSPXZWLSF-VQHVLOKHSA-N 245.259 2.686 0 40 BFAB O=C(C1CCCC1)N1CCc2ccccc2C1 1469245 QHAKDJOZUCAXQH-UHFFFAOYSA-N 229.323 2.762 0 40 BFAB C[C@@]1(c2ccccc2)CC[C@@H](O)C[C@@H]1CC(=O)O 1581120 AYPMWMZTVODKNC-NFAWXSAZSA-N 248.322 2.580 0 40 BFAB CCN(CC)CCC(=O)c1ccc(C)cc1 1635906 MHBQAFWTZGWVEI-UHFFFAOYSA-N 219.328 2.910 0 40 BFAB biogenic CCOC(=O)C(C)(CCC(C)C)C(=O)OCC 1664893 LFMBZEGLMSBWHG-UHFFFAOYSA-N 244.331 2.555 0 40 BFAB in-vitro COc1ccc(C(=O)c2ccccc2)c(N)c1 1713907 GFHWOKUXKUUKQJ-UHFFFAOYSA-N 227.263 2.508 0 40 BFAB CCCCCCNC(=O)Cc1cccs1 2743558 INAPEAREYPRSNR-UHFFFAOYSA-N 225.357 2.987 0 40 BFAB CN(C)c1cccc(NC(=O)c2ccco2)c1 3190496 KLKBDIVAQINRJQ-UHFFFAOYSA-N 230.267 2.598 0 40 BFAB CC1(C)[C@@H]2[C@@H]3[C@@](C)(O)CC[C@]3(C)C(=O)CC[C@H]21 4104718 GMEVHQNPFFEYHN-ONAWRNRTSA-N 236.355 2.789 0 40 BFAB biogenic,in-vitro CCOc1cccc2cc([C@@H](C)N)oc12 4207388 YXKMVRUDXGEDPW-MRVPVSSYSA-N 205.257 2.851 0 40 BFAB in-vitro CN1CCC(O)(c2ccc(C(C)(C)C)cc2)CC1 4722484 ZDOVATNIWHRFET-UHFFFAOYSA-N 247.382 2.897 0 40 BFAB CCOC1=CC(=[N+]2CCCC2)CC(C)(C)C1 4823137 NEJSEIDMILLYFX-UHFFFAOYSA-N 222.352 2.974 0 40 BFAB CCCCCO[C@@H]1OC(=O)C(Cl)=C1Cl 5550620 LNUIJWDSBDXIBL-SECBINFHSA-N 239.098 2.765 0 40 BFAB CC[C@@H](Nc1cccc(C(F)(F)F)c1)C(=O)O 8702735 OUEWKQVGKGTLLQ-SECBINFHSA-N 247.216 2.981 0 40 BFAB Cc1nn(C(C)(C)C)c2nc(Cl)ncc12 11804116 VUMXCLSMSQEPCT-UHFFFAOYSA-N 224.695 2.543 0 40 BFAB Cc1cc(Cl)nc2nn(C(C)C)cc12 12398314 FFXGOUJZVYSDBX-UHFFFAOYSA-N 209.680 2.974 0 40 BFAB C[C@H]1CCCN(C(=O)c2ccc(N(C)C)cc2)C1 12527641 JMLCJWYXSGMCCL-LBPRGKRZSA-N 246.354 2.625 0 40 BFAB Cc1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1F 15084702 COJLTFCILGNGNW-PSASIEDQSA-N 207.248 2.729 0 40 BFAB CC[C@H](C)NCCCN1CCCC[C@@H]1C 19913184 YIHQUCLGWUZLCY-STQMWFEESA-N 212.381 2.639 0 40 BFAB c1ccc2c(c1)CCN2CC[C@@H]1CCCCN1 20180435 PKMSUWRWKROFMF-AWEZNQCLSA-N 230.355 2.581 0 40 BFAB CCNC(=O)[C@H](CC)Oc1cccc(C)c1C 20489138 UKWBRKLBHCWZRU-LBPRGKRZSA-N 235.327 2.597 0 40 BFAB Cc1noc(C(C)C)c1C(=O)NCc1ccco1 21555376 JOKKUBUGHDVTLM-UHFFFAOYSA-N 248.282 2.629 0 40 BFAB Cc1cc(C(=O)N[C@H](C)C2CC2)c(C)s1 32748167 MDGJKILQSKUKMZ-MRVPVSSYSA-N 223.341 2.893 0 40 BFAB Cc1ccc(C)c(CN2CCC(CO)CC2)c1 46091295 BJNYLDPMRFCKRF-UHFFFAOYSA-N 233.355 2.508 0 40 BFAB CO[C@H](C)C(=O)Nc1cc(Cl)ccc1C 48340800 GVHSHIRARCYXJJ-MRVPVSSYSA-N 227.691 2.622 0 40 BFAB CCc1nc(C)c(C(=O)NC(C)(C)CC)s1 50257423 VLOHFRUFBNVUPG-UHFFFAOYSA-N 240.372 2.932 0 40 BFAB Cc1ccc(C(=O)Cc2cccnc2)cc1 53130249 TWWHAXPVHPJYJQ-UHFFFAOYSA-N 211.264 2.815 0 40 BFAB Cc1ccc(N2C=CC(C)(C)NC2=S)cc1 56687968 BWCPFEKTOZGNFA-UHFFFAOYSA-N 232.352 2.982 0 40 BFAB CC(=O)Nc1ccnc(Sc2ccccn2)c1 60340625 GUUAUUAVELZJGH-UHFFFAOYSA-N 245.307 2.586 0 40 BFAB COC(=O)c1ccc(Cl)c2cccnc12 61394121 UOABXDXNLKXCKC-UHFFFAOYSA-N 221.643 2.675 0 40 BFAB CCCNCc1cn(C2CCCC2)nc1C 70631371 IKEYDVDIWJVMSC-UHFFFAOYSA-N 221.348 2.806 0 40 BFAB O[C@@H](c1ccccc1Br)C1CC1 70735891 YLQPWFYRWGMDGZ-SNVBAGLBSA-N 227.101 2.893 0 40 BFAB COc1ccccc1[C@H]1CCCCN1C(C)=O 72221493 OHHCZYRGQFTYOY-CYBMUJFWSA-N 233.311 2.769 0 40 BFAB CCOC(=O)CCCOc1cc(F)ccc1F 75881210 SSBQCXCNNZLXTG-UHFFFAOYSA-N 244.237 2.687 0 40 BFAB COC(=O)Nc1ccc(Br)c(F)c1 83826901 DKQFMIYZLHXFOX-UHFFFAOYSA-N 248.051 2.767 0 40 BFAB Nc1ncc(C(=O)c2ccc(Cl)cc2)s1 89229051 PAPPZGMHHGOQNC-UHFFFAOYSA-N 238.699 2.610 0 40 BFAB COc1ccc(F)cc1NC(=O)[C@@H]1CC1(C)C 93789823 ZBUBEOJUQGRRBR-VIFPVBQESA-N 237.274 2.819 0 40 BFAB CCn1cnnc1CN[C@@H](C)CCC=C(C)C 95420375 KLRGJSRCWKQNMV-LBPRGKRZSA-N 236.363 2.523 0 40 BFAB Cn1cccc1[C@@H](O)c1ccc(Cl)c(F)c1 95727658 HGJZUWIHAQBULS-LBPRGKRZSA-N 239.677 2.899 0 40 BFAB CC(C)(C)c1ccc(C(C)(C)CNC(=N)N)cc1 95974962 PWMXDGZRTHMGCU-UHFFFAOYSA-N 247.386 2.745 0 40 BFAB COCCN[C@H](c1cc(F)ccc1F)C1CC1 96493182 RAMNHYDMAPYBDR-ZDUSSCGKSA-N 241.281 2.652 0 40 BFAB CCNC(=O)N1CC[C@@H](C)C[C@H]1c1ccco1 98014294 SNMYLAKOJYWUJB-MNOVXSKESA-N 236.315 2.782 0 40 BFAB c1ccc([C@@H]2CN[C@H]3CCCC[C@H]32)cc1 102178111 UWANJFHETVWHSC-IHRRRGAJSA-N 201.313 2.932 0 40 BFAB in-vitro COc1ccnc(NCC[C@@H]2C[C@H]3CC[C@H]2C3)n1 107335851 VNPGLCDAJSCHTE-SDDRHHMPSA-N 247.342 2.723 0 40 BFAB CC1=CCC[C@H](C)[C@H]1CNCc1ccnn1C 133985846 ZEEUMZFHRGXAFA-JSGCOSHPSA-N 233.359 2.502 0 40 BFAB O=C(O)[C@H]1C[C@@H](C(F)(F)F)Nc2ccccc21 167222320 IJFGCIWYGTTXEY-CBAPKCEASA-N 245.200 2.601 0 40 BFAB C[C@H]1CCCC[C@H]1CNCC[C@H](C)[S@@](C)=O 195559899 AQZKKLMLDCRYCP-WFGGJUAMSA-N 245.432 2.559 0 40 BFAB Cc1cc(C)cc(N2CCN[C@@H]3CCC[C@@H]32)c1 225717724 AUIDVXAAFPXFDS-CABCVRRESA-N 230.355 2.634 0 40 BFAB CS(C)(=O)=Nc1cccc(Br)c1 226098759 CTIMVZSQYDXRAP-UHFFFAOYSA-N 248.145 2.808 0 40 BFAB COc1ccc(CNCc2ccco2)cc1OC 300138 WYWLCPVYGDMKJB-UHFFFAOYSA-N 247.294 2.587 0 40 BFAB O=C(O)CCCCC(=O)c1ccccc1F 2378736 JPJMJONIHWUMRZ-UHFFFAOYSA-N 224.231 2.653 0 40 BFAB NCc1ccc(CN2CCCCCC2)cc1 4384347 XNBPTTSAEHCYPP-UHFFFAOYSA-N 218.344 2.521 0 40 BFAB in-vitro Nc1ccc(N2CCCC2)c(-n2cccc2)c1 8701169 YOQBRJAWSCZCOC-UHFFFAOYSA-N 227.311 2.660 0 40 BFAB CCC(C)(C)C(=O)Nc1cc(N)ccc1C 8703459 INZRBBAOGHNPOF-UHFFFAOYSA-N 220.316 2.952 0 40 BFAB C[C@H]1CCCCN1Cc1ccc(C(=O)O)cc1 8730782 CRQNAJHQJCQBRW-NSHDSACASA-N 233.311 2.759 0 40 BFAB CN1c2ccccc2C(=O)N[C@@H]1c1ccccc1 8744613 GGASRPKQQISEKD-AWEZNQCLSA-N 238.290 2.565 0 40 BFAB CC1CCC(NC(=O)Cc2ccsc2)CC1 12983954 VOUPDVDMKWKACW-UHFFFAOYSA-N 237.368 2.986 0 40 BFAB NC[C@@H]1CCCc2c1[nH]c1ccccc21 14988008 JGTWNJYBSOLIHR-VIFPVBQESA-N 200.285 2.547 0 40 BFAB CCN(CC)CCCNC1CCCCC1 19943297 HWBLMLAOGLPCEK-UHFFFAOYSA-N 212.381 2.641 0 40 BFAB CC[C@H](C)CNCc1ccccc1OC 20087200 SICKYNGVKOGZED-NSHDSACASA-N 207.317 2.831 0 40 BFAB Nc1ccccc1NC(=O)c1ccccc1F 20343159 ZUBDTGGXOCARGK-UHFFFAOYSA-N 230.242 2.660 0 40 BFAB Cc1ccc(NC(=O)c2ccc[nH]2)cc1C 32743641 CVAKEIMEXNEHAC-UHFFFAOYSA-N 214.268 2.884 0 40 BFAB NC1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 34592813 XOUOFYWYDVOBNR-CQSZACIVSA-N 237.306 2.910 0 40 BFAB CCCCC[C@@H](C)N[C@@H](C)Cn1cccn1 37154485 BAWSJWCOJQCLGU-OLZOCXBDSA-N 223.364 2.830 0 40 BFAB O=C(O)c1c[nH]cc1-c1ccccc1F 37245234 LPSXFYIOBIXUBL-UHFFFAOYSA-N 205.188 2.519 0 40 BFAB in-vitro Cc1noc(NC(=O)CCC2CCCCC2)n1 42703379 AAYZJOLCMSJKTF-UHFFFAOYSA-N 237.303 2.677 0 40 BFAB COc1cccc(N)c1C(=O)c1ccccc1F 42784263 LFUYWJFUAGHFFH-UHFFFAOYSA-N 245.253 2.648 0 40 BFAB Cc1cccc(C)c1C(=O)CC(C)(C)C(=O)O 43214299 SIUMLUDQBYQYJU-UHFFFAOYSA-N 234.295 2.987 0 40 BFAB O=C(O)[C@H]1C[C@@H]1c1ccc(Cl)c(F)c1 43388971 WLBMRAWVMMPUAI-RQJHMYQMSA-N 214.623 2.667 0 40 BFAB c1coc(CSC[C@H]2CCCNC2)c1 43471706 UGOZXXLPQXLBRL-JTQLQIEISA-N 211.330 2.512 0 40 BFAB CN1CCNc2ccc(C(F)(F)F)cc21 57939317 CUVCCKLEFMRLHP-UHFFFAOYSA-N 216.206 2.567 0 40 BFAB COCCSc1ccc2c(c1)OCCCO2 65623592 KXTWEWSBAZZGJH-UHFFFAOYSA-N 240.324 2.586 0 40 BFAB COc1ccc(C(=O)C(F)(F)F)c(F)c1F 75925195 QGCQULMTLOLTNY-UHFFFAOYSA-N 240.127 2.718 0 40 BFAB CC/C=C/COC(=O)c1ccccc1C(=O)O 77311463 BLRIXKSUCCUIRO-ZZXKWVIFSA-N 234.251 2.508 0 40 BFAB in-vitro O=C(O)c1cn2cc(-c3ccccc3)ccc2n1 77383639 GAZGKQNSEDEOHM-UHFFFAOYSA-N 238.246 2.700 0 40 BFAB COc1ccc([C@](C)(O)C2CC2)c(C)c1 83696318 BNUWJSFFUVJDJM-CYBMUJFWSA-N 206.285 2.621 0 40 BFAB O=C(O)c1ccccc1CCC(F)(F)F 84504563 CNFJJBQNJPYXIE-UHFFFAOYSA-N 218.174 2.880 0 40 BFAB in-vitro COc1cccc(Oc2ncc(C)cc2N)c1 90691484 LABHLGHGOHJORJ-UHFFFAOYSA-N 230.267 2.773 0 40 BFAB CN1CCC[C@H]1SC(F)(F)C(F)(F)F 91252725 RWIBXQPJZDVIOM-RXMQYKEDSA-N 235.221 2.926 0 40 BFAB COC(=O)c1cnc2c(C)cc(C)cc2c1OC 95532197 GMLYNRMIKLAOPT-UHFFFAOYSA-N 245.278 2.647 0 40 BFAB c1ccc(CNC[C@@H]2CNc3ccccc32)cc1 95635422 INGHOQQVVBBPJH-CQSZACIVSA-N 238.334 2.986 0 40 BFAB Fc1cc(F)c2ncnc(Cl)c2c1 95803705 WTVWISHRWLIYPS-UHFFFAOYSA-N 200.575 2.561 0 40 BFAB Cc1nccc(NC(=O)c2cccnc2)c1Cl 97080063 ZIQMDHKGMRDAGB-UHFFFAOYSA-N 247.685 2.691 0 40 BFAB C[C@@H](CNC[C@@H]1C[C@H]2C=C[C@H]1C2)c1ccncc1 101544113 YHVCTOFQMNKGNZ-SDADXPQNSA-N 242.366 2.987 0 40 BFAB OC1[C@H]2C=C[C@H]1[C@H]1[C@H]2[C@@H]2C[C@H]1c1ccccc12 104282796 SEETXPIYCYPGLK-UZFJLGRDSA-N 224.303 2.680 0 40 BFAB O=C(Nc1ccc(F)cn1)OCc1ccccc1 199814216 PBHBLMUGTGSIHV-UHFFFAOYSA-N 246.241 2.969 0 40 BFAB Cc1ccc(N(C)CCCC(=O)O)cc1C 224983717 FVAKBWLEXWEMCO-UHFFFAOYSA-N 221.300 2.604 0 40 BFAB CC(C)COCc1ccnn1CC(F)(F)F 408716496 NPWPDIHKYOHVEH-UHFFFAOYSA-N 236.237 2.618 0 40 BFAB CCOC(=O)c1nn([C@@H](C)CC)cc1Cl 408716881 SEOJYRXUPZZBNR-ZETCQYMHSA-N 230.695 2.684 0 40 BFAB COc1cc(-c2scnc2C)ccc1CN 642882604 RGVOQILABJSSMO-UHFFFAOYSA-N 234.324 2.586 0 40 BFAB Cc1cnnc(NC[C@@H]2CC23CCSCC3)c1 894238789 GTTTWNPMJISAAJ-NSHDSACASA-N 249.383 2.730 0 40 BFAB COc1cc(OC)c(C(F)F)c(OC)c1 1857793684 JTTATVYRXBRDMQ-UHFFFAOYSA-N 218.199 2.650 0 40 BFAB CSc1nccc(N2C[C@@H]3CCCC[C@H]3C2)n1 1889074283 UJTQMMKOZXJBIT-QWRGUYRKSA-N 249.383 2.825 0 40 BFAB COc1cc2cc(C)nc(C)c2cc1OC 245145 FQOYKQIFBOPUNA-UHFFFAOYSA-N 217.268 2.869 0 40 BFAB biogenic CCCn1c(C)c(C=O)c2cc(O)ccc21 6869211 IZNIGNPSFKHNKR-UHFFFAOYSA-N 217.268 2.878 0 40 BFAB Cc1ccc(C)c([C@H](O)C(F)(F)F)c1 8324316 SCYMTVOTDWIOSX-VIFPVBQESA-N 204.191 2.899 0 40 BFAB in-vitro CCCNCc1cc2ccc(C)cc2nc1O 9281758 DXDPRLCVHITDEQ-UHFFFAOYSA-N 230.311 2.748 0 40 BFAB Cc1ccc(C(=O)Nc2c(C)nn(C)c2C)cc1 12895327 OEDJJAWDZJXZTI-UHFFFAOYSA-N 243.310 2.598 0 40 BFAB CCOC(=O)Nc1ccccc1SC 13326792 AZQJXQOPXRSMNI-UHFFFAOYSA-N 211.286 2.977 0 40 BFAB Oc1ccccc1-n1cnc2ccccc21 13782597 CVPOWJXYMCMMPD-UHFFFAOYSA-N 210.236 2.731 0 40 BFAB Cc1ccc(N)cc1NC(=O)c1ccccc1F 19736119 BJAVZYPSKDOHAS-UHFFFAOYSA-N 244.269 2.969 0 40 BFAB Cc1ccc(C(=O)N(C)c2ccccc2)cc1N 20194903 GPWKPFDIQTWHMB-UHFFFAOYSA-N 240.306 2.854 0 40 BFAB Nc1ccccc1NC(=O)Cc1cccs1 20343629 WEODBNBBRRDLDV-UHFFFAOYSA-N 232.308 2.512 0 40 BFAB Cc1ccc(NC(=O)CCn2cccn2)cc1C 20602934 KRJSBFJHRWCTNK-UHFFFAOYSA-N 243.310 2.529 0 40 BFAB CCC(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 21787036 IQRVMTBVEZWZPN-GFCCVEGCSA-N 243.310 2.636 0 40 BFAB Cn1c(NC(=O)C2CCCC2)nc2ccccc21 27924090 FLOCZYQFARHQFO-UHFFFAOYSA-N 243.310 2.702 0 40 BFAB NCc1c(C(F)(F)F)ccc(Cl)c1F 36533628 PFFHSWMYXNZCJJ-UHFFFAOYSA-N 227.588 2.957 0 40 BFAB CC[C@H](C)c1nc2cc3c(cc2[nH]1)OCCO3 37400537 BHXZRKIEMZFBNT-QMMMGPOBSA-N 232.283 2.848 0 40 BFAB Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)o1 40488471 XOFZAJQBRPFETK-UWVGGRQHSA-N 221.300 2.706 0 40 BFAB S=c1ccc(-c2ccc3c(c2)OCO3)n[nH]1 41258604 KDGOJEXWEQVFHE-UHFFFAOYSA-N 232.264 2.535 0 40 BFAB CNC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 41292077 ZJQXFPZTHVXWAF-QMMMGPOBSA-N 245.244 2.945 0 40 BFAB O=C(Nc1nccs1)N1CCCCCC1 42652117 KHHHQUXKCUBDHY-UHFFFAOYSA-N 225.317 2.551 0 40 BFAB CCCc1cc(C(=O)N2CCC[C@@H]2C(C)C)[nH]n1 49122555 YFVLNHDGQWGXJR-CYBMUJFWSA-N 249.358 2.623 0 40 BFAB O=C1C[C@@H]2CCC[C@H](C1)N2Cc1cccs1 54600968 XFXRRBJJOINGEL-PHIMTYICSA-N 235.352 2.834 0 40 BFAB in-vitro CC(C)(C)C[C@@H](CO)NCc1cccs1 61840712 IJPHBHYNFIYHNF-JTQLQIEISA-N 227.373 2.635 0 40 BFAB CC[C@H](C)NC(=O)N[C@H](C)c1cccc(O)c1 65513370 AGLJOFDWVLHCPV-VHSXEESVSA-N 236.315 2.551 0 40 BFAB Cc1cc(CN(C2CC2)[C@@H](C)C(C)C)on1 69485833 SPOPGYQCYMEGQE-NSHDSACASA-N 222.332 2.992 0 40 BFAB CC(=O)NC1(c2ccccc2)CCCCC1 70956451 OMRCZJXEIDESNL-UHFFFAOYSA-N 217.312 2.982 0 40 BFAB c1ccc(-c2nccc(Nc3cn[nH]c3)n2)cc1 71803788 KDFLCUFSKWEZCU-UHFFFAOYSA-N 237.266 2.610 0 40 BFAB CC(=O)N1CCCC[C@H]1c1ccc(=S)[nH]c1 72217036 VHRIECWDYNMDQZ-NSHDSACASA-N 236.340 2.818 0 40 BFAB CCCCC(=O)N[C@@H]1CCC[C@@H]1SCC 79000978 HZLDLDHVDWJODZ-MNOVXSKESA-N 229.389 2.967 0 40 BFAB c1ccc2c(C3CCNCC3)ccnc2c1 82372435 NIEOHKIPLZAOFU-UHFFFAOYSA-N 212.296 2.702 0 40 BFAB Nc1cc2cc[nH]c2cc1C(F)(F)F 82383440 ZJHSIISPKZQOIA-UHFFFAOYSA-N 200.163 2.769 0 40 BFAB CC(C)Oc1cccc([C@@H](O)C(F)F)c1 87686859 MJTUECLYWUNXSN-SNVBAGLBSA-N 216.227 2.772 0 40 BFAB in-vitro CC(=O)N(CC(F)(F)F)c1ccccc1 89930352 JTGKNWMCMYPEMP-UHFFFAOYSA-N 217.190 2.602 0 40 BFAB CC(=O)N1CCC[C@H]1c1cc(C)cc(C)c1 95397208 YCNJMCMVEGJRJX-AWEZNQCLSA-N 217.312 2.987 0 40 BFAB CCNCCCSC(F)(F)C(F)(F)F 95918294 HIJLNBDHTKVOEA-UHFFFAOYSA-N 237.237 2.874 0 40 BFAB C[C@@H]1CC[C@@H]1COc1cccc(C(=O)O)c1 96526467 OEURKRGZXDFXHF-MWLCHTKSSA-N 220.268 2.810 0 40 BFAB C[C@H]1CO[C@H](C)CN1Cc1cccc(Cl)c1 109022659 UEEJOQPFVHHBPB-WDEREUQCSA-N 239.746 2.949 0 40 BFAB CC1=CCC[C@@H](C)[C@H]1CN[C@@H](C)CCCO 152622894 IIYKRXGZKIPFKQ-RDBSUJKOSA-N 225.376 2.729 0 40 BFAB CC(C)O[C@@H](CO)Cc1ccc(Cl)cc1 165564119 MDFJHYNXJDBYFI-GFCCVEGCSA-N 228.719 2.668 0 40 BFAB O=C(O)c1cc2cn(C3CC3)cc2s1 169676684 PYLWGOKVKDRAKU-UHFFFAOYSA-N 207.254 2.736 0 40 BFAB N=C(N)c1cc(Cl)c(Cl)cc1Cl 199742794 AVHVWUJMOPCLMI-UHFFFAOYSA-N 223.490 2.931 0 40 BFAB CCCO[C@H](Cc1cccc(C)c1C)C(=O)O 225024301 NWPCVBHMPFOPIE-CYBMUJFWSA-N 236.311 2.726 0 40 BFAB CCn1c(C)cc(C(=O)C(F)(F)F)c1C 225326119 OYMCUAPJAMTZIN-UHFFFAOYSA-N 219.206 2.870 0 40 BFAB Cc1cncc(CN2CCC(CF)CC2)c1 295063341 CIPYZDWRDZKPAN-UHFFFAOYSA-N 222.307 2.572 0 40 BFAB CCOC(=O)c1cc(Cl)cc(O)c1Cl 307315269 XHQMUDMQJKZKPE-UHFFFAOYSA-N 235.066 2.876 0 40 BFAB Nc1c(C2CC2)cnn1-c1cccc(Cl)c1 642882846 CUFKGHZZADMNNP-UHFFFAOYSA-N 233.702 2.985 0 40 BFAB CCc1[nH]c2cccc(F)c2c(=O)c1CC 685938733 UWGNZEVYWPEQPI-UHFFFAOYSA-N 219.259 2.792 0 40 BFAB O=C(O)CCCCC(=O)c1cc(F)cc(F)c1 2378682 GPRSZBJFIFKPIA-UHFFFAOYSA-N 242.221 2.793 0 40 BFAB C[C@H]1CCCN(c2ccc(F)cc2N)C1 2538783 MXHWGHJBQPQAJS-VIFPVBQESA-N 208.280 2.644 0 40 BFAB in-vitro CC1=CC[C@H](C(N)=O)[C@H](c2ccc(F)cc2)C1 4784968 CRWYRQUYJZNOMC-STQMWFEESA-N 233.286 2.751 0 40 BFAB CC1=C[C@@H](C)[C@@H](C)[C@H](C(=O)NCC(C)C)C1 4794964 ILWKDNXFTDQNAN-JHJVBQTASA-N 223.360 2.997 0 40 BFAB CC[C@H](Cc1ccc(Cl)cc1)C(=O)O 11976818 IWBJRTQHZPJDMQ-SECBINFHSA-N 212.676 2.993 0 40 BFAB Cn1cc2c(C(F)F)cc(Cl)nc2n1 12398114 ZGIPSGLHVTYXQR-UHFFFAOYSA-N 217.606 2.559 0 40 BFAB CN(C)C(=O)c1cc2ccccc2s1 12881515 RQFDAHKFBOOLEY-UHFFFAOYSA-N 205.282 2.603 0 40 BFAB Cc1occc1C(=O)Nc1cc(N)ccc1F 21953526 HVKTXOUOZJSMPE-UHFFFAOYSA-N 234.230 2.562 0 40 BFAB Cc1nc(C(=O)Nc2cc(F)ccc2C)co1 22538579 NCAAECWENIBPHW-UHFFFAOYSA-N 234.230 2.683 0 40 BFAB Cc1cc(F)ccc1C[C@@H]1CCCNC1 32099140 OUTZXTYZSUFMEO-NSHDSACASA-N 207.292 2.676 0 40 BFAB in-vitro C/N=c1\sc(C)c(-c2ccc(F)cc2)n1C 32666079 MSIQVRMVVBHVBD-OWBHPGMISA-N 236.315 2.732 0 40 BFAB CC[C@H](C)NC(=O)c1ccc(C)c(OC)c1 32814889 WVNKGQKPMSLJCX-JTQLQIEISA-N 221.300 2.532 0 40 BFAB C[C@H](N)CCc1cccc(C(F)(F)F)c1 33867683 QPVLCHKIGUQAOL-QMMMGPOBSA-N 217.234 2.985 0 40 BFAB COc1ccc(CCCC(=O)O)c(Cl)c1 36768802 QJVIFSDPCIMMKF-UHFFFAOYSA-N 228.675 2.756 0 40 BFAB in-vitro CCOC(=O)C[C@H]1CCc2cc(OC)ccc21 38436224 OBJUZSOKYJHLAB-LLVKDONJSA-N 234.295 2.678 0 40 BFAB CC(C)Oc1cncc(Br)c1 39040018 ASEHPOZWQJRWAD-UHFFFAOYSA-N 216.078 2.631 0 40 BFAB in-vitro CCN(C(=O)[C@@H]1C[C@H]1C)c1ccccc1 40461135 PRCBUJIYNLCWPF-ZYHUDNBSSA-N 203.285 2.696 0 40 BFAB COCCSc1nc(C)c(C)n1CC(C)C 40479382 KUOYZEXZONEESR-UHFFFAOYSA-N 242.388 2.894 0 40 BFAB CCC(=O)N1C[C@H](c2ccccc2)OCC1(C)C 41174394 LWILGNIHNFUVRJ-CYBMUJFWSA-N 247.338 2.775 0 40 BFAB COCCNC(=O)Nc1cccc(C(C)C)c1 43551786 QWOWXFPDXKEDTH-UHFFFAOYSA-N 236.315 2.578 0 40 BFAB CC(C)=CC(=O)N(Cc1ccncc1)C1CC1 47630337 WENKKJXVZHWXST-UHFFFAOYSA-N 230.311 2.539 0 40 BFAB CCCCCCNCc1cnc(NCC)nc1 62717535 NUXGAKQLAFRIKP-UHFFFAOYSA-N 236.363 2.578 0 40 BFAB O=C(O)c1cc(/C=C/c2cccs2)on1 64875998 HDFUAAAKPVGPBC-ONEGZZNKSA-N 221.237 2.605 0 40 BFAB COc1cc2oc(C(=O)O)cc2cc1Cl 72219747 BBOJBARXRFXXSS-UHFFFAOYSA-N 226.615 2.793 0 40 BFAB COC(=O)CCCc1ccc(F)c(C)c1 74468722 VRKPJAZGIDPBBP-UHFFFAOYSA-N 210.248 2.630 0 40 BFAB Fc1ccc(Br)cc1-c1ncc[nH]1 75899039 LGBUPCKKHLJVFJ-UHFFFAOYSA-N 241.063 2.978 0 40 BFAB CC1CC(CN)([C@@H](O)c2ccccc2Cl)C1 85395839 ZIIVEBDFWIBNRO-YHECAPGISA-N 239.746 2.748 0 40 BFAB Cc1coc2c1C(=O)C[C@H](C(F)(F)F)C2 85399173 WNNCRHBQRFHBBS-LURJTMIESA-N 218.174 2.895 0 40 BFAB CC(C)Cn1cc(NCc2cscn2)cn1 90199977 JTWZLEBLJOCPTK-UHFFFAOYSA-N 236.344 2.608 0 40 BFAB FC(F)(F)c1ccc(NN2CCCCC2)nc1 95081588 MAKUBWPLIUBAOA-UHFFFAOYSA-N 245.248 2.913 0 40 BFAB Cc1c(F)cc(C(=O)O)cc1OCC1CC1 95095511 RXJJSOBPOIYGLY-UHFFFAOYSA-N 224.231 2.621 0 40 BFAB Cc1ncc(C[S@](=O)CC2CCCC2)s1 97033789 SREDDYJEZIFFBQ-HNNXBMFYSA-N 243.397 2.890 0 40 BFAB CCNC(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1 98014292 SNMYLAKOJYWUJB-GHMZBOCLSA-N 236.315 2.782 0 40 BFAB Cc1nsc(N2CC[C@H]3CCCC[C@@H]32)n1 98018922 GTEJYDFRXBXOBZ-ZJUUUORDSA-N 223.345 2.615 0 40 BFAB C[C@H](c1cccc(Cl)c1)N1CCC[C@@H](N)C1 100213388 BPSRIOXFNLJBPC-ZWNOBZJWSA-N 238.762 2.824 0 40 BFAB Cc1ccc2c(c1)s/c(=N/C(=O)C(C)C)n2C 100812017 NYSUYSTZXGNEQY-BUHFOSPRSA-N 248.351 2.632 0 40 BFAB C/C=C/C[S@@](=O)CCc1ccc(OC)cc1 190782395 GSJUXIOGVLZTMR-QDLOVBKTSA-N 238.352 2.563 0 40 BFAB Cc1c(C(=O)O)c2ccccc2n1C(=O)C(C)C 216949187 LRYIUGSQBXXONM-UHFFFAOYSA-N 245.278 2.944 0 40 BFAB FC(F)(F)c1cc(Cl)nc2[nH]ncc12 217585476 ADUBVKTWFSPYRL-UHFFFAOYSA-N 221.569 2.630 0 40 BFAB O=C(O)[C@H]1Nc2ccccc2C12CCCCC2 218698808 KWWWLQFOANQJHV-GFCCVEGCSA-N 231.295 2.767 0 40 BFAB Cc1noc(C2(C)CCN(C3CCCC3)CC2)n1 257245784 IRBFTVUDIVIQMD-UHFFFAOYSA-N 249.358 2.674 0 40 BFAB Nc1nnc(Cl)cc1C1CCCCC1 258504030 DPYCLPOAJIVHDC-UHFFFAOYSA-N 211.696 2.760 0 40 BFAB CC[C@@H](Cl)C(=O)c1ccc2c(c1)CCO2 382674498 KPAHQHUEJFZXLR-SNVBAGLBSA-N 224.687 2.822 0 40 BFAB c1ccc([C@H]2CC(c3cccnc3)=NO2)cc1 64730 SYCIBYJUPBHOCG-CQSZACIVSA-N 224.263 2.947 0 40 BFAB CC(C)n1c(=O)[nH]c2cc(C(F)(F)F)ccc21 128731 FAJLWANOUSCOBC-UHFFFAOYSA-N 244.216 2.929 0 40 BFAB CCOC(=O)[C@H]1CC=CC[C@@H]1c1cccnc1 165730 ATAHZGDGVWUBCW-OLZOCXBDSA-N 231.295 2.695 0 40 BFAB Nc1ccc(O)c(-c2nc3ccccc3[nH]2)c1 246170 JKSYIKAAFVWVRO-UHFFFAOYSA-N 225.251 2.518 0 40 BFAB CC(C)COC(=O)Nc1ccc2c(c1)OCO2 307133 ZVBANVNKXCKVCT-UHFFFAOYSA-N 237.255 2.620 0 40 BFAB Cc1c(C(C)C)c(=O)oc2cc(O)ccc12 489460 IZOCZZMTQMWKLQ-UHFFFAOYSA-N 218.252 2.930 0 40 BFAB biogenic Cc1ccc(C)c(C(=O)N2CCCCC2)c1 514810 CMZHUDQSXHTZHB-UHFFFAOYSA-N 217.312 2.930 0 40 BFAB O=C(O)/C=C/c1c(F)cccc1C(F)(F)F 2560188 WQIPGCDNCZRHSE-SNAWJCMRSA-N 234.148 2.942 0 40 BFAB CCCOC(=O)Nc1nc2ccccc2o1 3015390 VPHVYSDHIRJLTB-UHFFFAOYSA-N 220.228 2.786 0 40 BFAB Sc1nnc(-c2cccs2)n1C1CC1 4206587 XNQIVODBVLOPRU-UHFFFAOYSA-N 223.326 2.630 0 40 BFAB in-vitro CC(C)=CC(=O)Nc1nc2c(s1)CCCC2 4369101 OHSVBLDKWVMNPV-UHFFFAOYSA-N 236.340 2.927 0 40 BFAB CCC(C)(C)C(=O)NCc1ccccc1OC 4700158 WMRKCUHVVQDORC-UHFFFAOYSA-N 235.327 2.748 0 40 BFAB Nc1c(Cl)cc(Cl)c(N)c1Cl 5510798 XIYZGUDKXQSHCJ-UHFFFAOYSA-N 211.479 2.811 0 40 BFAB CCCCNC1=CC(S)=NC(C)(C)C1 5783718 ZWAXMCQJXNHJAJ-UHFFFAOYSA-N 212.362 2.771 0 40 BFAB O[C@@H](c1ccc(Cl)cc1)c1cccnc1 8617722 CQZLNPXEFGITEZ-LBPRGKRZSA-N 219.671 2.817 0 40 BFAB in-vitro CCCOc1ncnc2c1[nH]c1ccccc12 8690139 PDNQLXYWZKGTEG-UHFFFAOYSA-N 227.267 2.900 0 40 BFAB CC(C)c1[nH]nc(N)c1-c1cccs1 8701433 NVDCJDWYNCFGEU-UHFFFAOYSA-N 207.302 2.844 0 40 BFAB CC(C)c1ccc(N[C@H](C)C(=O)O)cc1 8702703 HWIZPQFWZZETDV-SECBINFHSA-N 207.273 2.695 0 40 BFAB Cc1ccc2c(c1)CCN[C@H]2c1cccnc1 11570856 HVBZJBXAUXQXLL-HNNXBMFYSA-N 224.307 2.625 0 40 BFAB CC[C@H](CC(=O)O)c1ccc(OC)cc1 11628787 PWZOXDFQHQZWLK-SECBINFHSA-N 208.257 2.664 0 40 BFAB in-vitro COc1ccc(C2(CN)CCCCC2)cc1 11833353 RYTWCTSDMHVTPC-UHFFFAOYSA-N 219.328 2.856 0 40 BFAB in-vitro COc1ccccc1NCc1cccnc1 19901782 HDJGCYZDXYBDMD-UHFFFAOYSA-N 214.268 2.702 0 40 BFAB Cc1noc(C)c1CNCCc1ccccc1 20253005 QBUBLPDRZQCTEF-UHFFFAOYSA-N 230.311 2.624 0 40 BFAB Cc1nn(CN2CCC[C@@H](C)C2)c(=S)s1 33029231 JOGXSCJRHJXTGK-MRVPVSSYSA-N 243.401 2.672 0 40 BFAB FC(F)(F)c1ccc(OC[C@@H]2CCNC2)cc1 34017619 XIYHHXOOZDTTIM-SECBINFHSA-N 245.244 2.694 0 40 BFAB Cc1cc2sc3nncn3c2cc1C 34067146 RVHVHYHFTJGSDL-UHFFFAOYSA-N 203.270 2.561 0 40 BFAB C[C@H](Nc1nc2ccccc2o1)[C@H]1CCCO1 37998870 QBGNQXMVEOBHOP-GXSJLCMTSA-N 232.283 2.807 0 40 BFAB O=C(/C=C/c1ccco1)NCc1ccsc1 42938191 YZISWRQLGVQUAU-ONEGZZNKSA-N 233.292 2.671 0 40 BFAB CC(C)O[C@@H](CN)c1ccccc1Cl 43087718 XKVBXFWPEVSQDW-NSHDSACASA-N 213.708 2.765 0 40 BFAB CCCC(C)(C)NC(=O)Cc1cccc(OC)c1 50498433 WSHNPZVLWZSKBQ-UHFFFAOYSA-N 249.354 2.933 0 40 BFAB CC(=O)N1CCCC[C@@H]1Cc1ccccc1 60340501 CKOGCDFBDXXBED-CQSZACIVSA-N 217.312 2.630 0 40 BFAB CC(C)(C)C[C@H]1CCCN1C(=S)NC1CC1 60837195 TVQHMBMHVIPWOK-LLVKDONJSA-N 240.416 2.924 0 40 BFAB NCc1c(Br)sc2c1CCCC2 64874367 YNTSQLMZSFOJGW-UHFFFAOYSA-N 246.173 2.848 0 40 BFAB Cc1cc(S)ncc1[C@H]1CCCCN1C 72218335 HTOWNSYZQDREPI-LLVKDONJSA-N 222.357 2.836 0 40 BFAB O=C1[C@H](Sc2cccs2)CCN1C1CC1 89800039 WFKKIGVKTKGITF-SECBINFHSA-N 239.365 2.604 0 40 BFAB CON(C)C(=O)/C=C/[C@H](C)CCC=C(C)C 95218144 NDIWFAPLPTUGNF-BZYZDCJZSA-N 225.332 2.945 0 40 BFAB C[C@H]1CCC[C@H]1N(CCO)Cc1ccsc1 95457079 HVQWDAHZWDCHGU-WCQYABFASA-N 239.384 2.731 0 40 BFAB CCCC[C@H](CC)COCCN(C)C 96180986 WRQNTWCWUXLGFF-LBPRGKRZSA-N 201.354 2.781 0 40 BFAB O=C(O)/C(S)=C\c1ccc(Cl)cc1 100535442 VYZXSVKKNPHGGV-VMPITWQZSA-N 214.673 2.695 0 40 BFAB in-vitro O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H]2C=C[C@H]1C2 102265213 GVLZCAKYXUDHDI-OUJBWJOFSA-N 231.270 2.976 0 40 BFAB CCCC[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 217847967 IDBAJSQTEYNMHP-MNOVXSKESA-N 243.347 2.547 0 40 BFAB CCC(=O)N1CC[C@@H](CC2CCCC2)C1 225448171 PKDAKMZTYGAQOA-LBPRGKRZSA-N 209.333 2.825 0 40 BFAB CCCC[C@H](C)C(=O)NCc1ccccc1CO 252499984 SKZRWMKHPMHTEH-LBPRGKRZSA-N 249.354 2.621 0 40 BFAB O=[N+]([O-])/C(F)=C/c1ccc(Cl)cc1 306145912 VPAZADJNYXKGRC-VMPITWQZSA-N 201.584 2.885 0 40 BFAB NC12CC(c3cccc(Br)c3)(C1)C2 307317094 KDFZOTOCUIDXHK-UHFFFAOYSA-N 238.128 2.582 0 40 BFAB O=C(CC1CC(F)(F)C1)N[C@H]1CC=CCC1 336209090 KGBZKEYZXFQTDR-JTQLQIEISA-N 229.270 2.647 0 40 BFAB Cn1nccc1-c1cccc(C2CC(=O)C2)c1 521396729 CXHJZWRAXHTQFT-UHFFFAOYSA-N 226.279 2.534 0 40 BFAB O=C(c1ccc2[nH]ccc2c1)N1CC[C@@H](CF)C1 711488458 FDMRRPHLIYYFFW-JTQLQIEISA-N 246.285 2.600 0 40 BFAB O=C(c1cccc2[nH]ccc12)N1CC[C@H](CF)C1 711491568 RRGMEZBEGOAIDS-SNVBAGLBSA-N 246.285 2.600 0 40 BFAB COc1cccc(C(=O)N2CCCCCC2)c1 30023 DRWQBLSKGAPVDG-UHFFFAOYSA-N 233.311 2.711 0 40 BFAB O=C(Cc1ccccc1)SC1=NCCS1 35255 JKFLFNQFJOIFCE-UHFFFAOYSA-N 237.349 2.592 0 40 BFAB C[C@@H]1CN=C(Nc2ccccc2F)S1 86378 WAORFBXSARWMHX-SSDOTTSWSA-N 210.277 2.729 0 40 BFAB Cc1ccccc1C(Nc1ccccc1)=S=O 339298 AEXNSTQSASGAII-UHFFFAOYSA-N 243.331 2.798 0 40 BFAB Cc1cccc(OC(=O)c2ccncc2)c1C 363992 MTNVEZQLODCNBV-UHFFFAOYSA-N 227.263 2.918 0 40 BFAB COc1cc(C)ccc1C(=O)CN1CCCCC1 1685121 SLNXTGXAFCORGI-UHFFFAOYSA-N 247.338 2.672 0 40 BFAB Cc1cnc(NC(=O)Cc2cccs2)s1 2653073 JGILGJKPTHWVNO-UHFFFAOYSA-N 238.337 2.694 0 40 BFAB CC(C)(C)NC(=O)[C@]1(Cl)C[C@@H]2CC[C@H]1C2 4280587 IDAWKBSGBCJOGP-PTRXPTGYSA-N 229.751 2.699 0 40 BFAB CCCCCC(=O)OCc1cccnc1 5261164 MYXAXEVKQZKESD-UHFFFAOYSA-N 207.273 2.705 0 40 BFAB COc1ccc(Cl)cc1[C@@H](O)C(F)(F)F 8324324 HIXYZNAEMJPIPE-MRVPVSSYSA-N 240.608 2.944 0 40 BFAB O=C(c1cc2ccccc2s1)N1CCC1 12973893 SDSXRAKTOUCMQV-UHFFFAOYSA-N 217.293 2.747 0 40 BFAB CC(=O)c1ccc2c(c1)C(=O)CC(C)(C)O2 13305612 CKWLEUNYCBGFGC-UHFFFAOYSA-N 218.252 2.633 0 40 BFAB biogenic,in-vitro Cc1cc(=O)[nH]c2c(C)cc(Cl)cc12 16955241 NCBVYSXPEXEIEY-UHFFFAOYSA-N 207.660 2.798 0 40 BFAB Cc1ccc(O[C@H](C)C(=O)O)cc1Cl 16970058 GIKAVIQRFHJYGK-SSDOTTSWSA-N 214.648 2.500 0 40 BFAB CCCCCNC(=O)c1cc(Cl)ccc1N 19404387 WBDRMQYGRRZBOK-UHFFFAOYSA-N 240.734 2.842 0 40 BFAB COC(=O)Cc1ccc(OC(C)C)c(Cl)c1 20134252 IWCHOQGEXKLFCV-UHFFFAOYSA-N 242.702 2.843 0 40 BFAB Nc1nc2c(OCC(F)(F)F)cccc2s1 20432679 MWKAAIQKVGOALA-UHFFFAOYSA-N 248.229 2.820 0 40 BFAB in-vitro NC[C@H](c1ccsc1)N1CCCCCC1 22213597 MAVSVTDHRPZPLI-GFCCVEGCSA-N 224.373 2.624 0 40 BFAB Cc1ccc([C@H](C)NC(=O)c2ccco2)o1 23305522 HANJPEGTTPTQKU-VIFPVBQESA-N 219.240 2.672 0 40 BFAB O=C1N=NC(=O)c2cc3ccccc3cc21 34159980 ASLIDQPWOBWICT-UHFFFAOYSA-N 210.192 2.586 0 40 BFAB Fc1cc(NCc2cc[nH]n2)ccc1Cl 37070250 JTGLXDQXXCWKOM-UHFFFAOYSA-N 225.654 2.814 0 40 BFAB O=C(O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 37380881 IBXCFDILOTYDLI-RKDXNWHRSA-N 230.185 2.894 0 40 BFAB COC(=O)C[C@H](N)c1cc(Cl)cc(Cl)c1 37423973 GLERNDQQVPPSNJ-VIFPVBQESA-N 248.109 2.556 0 40 BFAB in-vitro CCOC(=N)c1cc(Cl)c(OC)c(OC)c1 37928037 UPEORZOSTCJICQ-UHFFFAOYSA-N 243.690 2.719 0 40 BFAB COc1ccccc1NC(=O)CC(F)(F)F 40050933 OPKQBJAJIXUZHU-UHFFFAOYSA-N 233.189 2.586 0 40 BFAB CC(C)NC(=O)CSCc1cccs1 40460891 IQIZMYUTZAQZKT-UHFFFAOYSA-N 229.370 2.506 0 40 BFAB O[C@H](c1c(F)cccc1F)C(F)(F)F 43367805 RSGKVSXJCHRZMA-SSDOTTSWSA-N 212.117 2.561 0 40 BFAB COc1cccc(-c2cnc(C(=O)O)s2)c1 45206030 FWQDPZFOIDSOLC-UHFFFAOYSA-N 235.264 2.517 0 40 BFAB CC(C)(C)c1n[nH]cc1CNCc1ccccc1 48707795 XAUYOAYWVZCMOL-UHFFFAOYSA-N 243.354 2.997 0 40 BFAB COC(=O)c1c[nH]cc1-c1cccs1 72207397 ZIYZWDXKNPADGN-UHFFFAOYSA-N 207.254 2.530 0 40 BFAB OCCc1ccc(Sc2ccccc2)nc1 72225210 OPVSQVFRQMZHHW-UHFFFAOYSA-N 231.320 2.768 0 40 BFAB CCCOc1ccc2cc(N)cnc2c1 72226641 ZUTZWNZPOLENOR-UHFFFAOYSA-N 202.257 2.606 0 40 BFAB Cc1cccc(CCCNC(=O)C(C)C)c1 74554264 GQJANFRQBKQCIG-UHFFFAOYSA-N 219.328 2.700 0 40 BFAB CC(=O)N[C@H]1CCCC[C@H]1Cc1ccccc1 77310021 HHFMDOBWCCQMOI-GJZGRUSLSA-N 231.339 2.924 0 40 BFAB NCc1nc(-c2cc(Cl)cc(Cl)c2)no1 82551190 CPMPLOQRBYFVQS-UHFFFAOYSA-N 244.081 2.502 0 40 BFAB Cc1ccc2cc(CC(=O)O)c(Cl)nc2c1 89261651 FOMYYMICLVNRQE-UHFFFAOYSA-N 235.670 2.824 0 40 BFAB Fc1cc(S)ccc1COC[C@H]1CCCO1 95738847 HPAKFRWSTVRQHX-SNVBAGLBSA-N 242.315 2.810 0 40 BFAB Clc1ccc(SC[C@@H]2CCCCO2)nn1 95948042 ZDKHSHKGQGFYAT-QMMMGPOBSA-N 244.747 2.791 0 40 BFAB CN(C)CCCn1ccnc1-c1ccccc1 95951513 ZRXJPDXGBOQCMV-UHFFFAOYSA-N 229.327 2.502 0 40 BFAB CO[C@H](C)CCOC(=O)c1ccc(SC)o1 96442888 ZKXMVKFSGOGSDB-MRVPVSSYSA-N 244.312 2.583 0 40 BFAB CC[C@H](O)Cc1cc(C)c(OC)c(C)c1 96543502 BGRCFWWKBSCBEL-LBPRGKRZSA-N 208.301 2.625 0 40 BFAB CCNC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 101004725 RIUOKZLPBODRHT-MFKMUULPSA-N 224.348 2.617 0 40 BFAB O=C(OCCCC(F)(F)F)C1=COCCC1 157579571 KIJGHQVTJPGTCP-UHFFFAOYSA-N 238.205 2.566 0 40 BFAB CCC[C@H](NC)C(=O)c1ccc(C)cc1 299817078 AKVKBEDACKJNPO-LBPRGKRZSA-N 205.301 2.566 0 40 BFAB in-vitro C[C@@H](N[C@@H]1CSC1(C)C)C(C)(C)C 307108788 KAPWCVKQFRVOTQ-RKDXNWHRSA-N 201.379 2.905 0 40 BFAB CC(C)Oc1nc2ccc(F)cc2cc1C(=O)O 685937739 YZDBIJWXBJMTNG-UHFFFAOYSA-N 249.241 2.859 0 40 BFAB CCN(C)CCc1c[nH]c2ccccc12 343741 MYEGVMLMDWYPOA-UHFFFAOYSA-N 202.301 2.662 0 40 BFAB Cc1ccc(NC(=O)c2cccn2C)cc1 2665024 TYJSHQZRALPZEK-UHFFFAOYSA-N 214.268 2.586 0 40 BFAB CCCOc1ccc(N)cc1OCCC 3308503 VHXRZNPBQPRFRM-UHFFFAOYSA-N 209.289 2.846 0 40 BFAB Cc1ccc2c(c1)C(=O)C(=O)N2CCC(C)C 5234395 WBZHTFMJRFJFFQ-UHFFFAOYSA-N 231.295 2.570 0 40 BFAB biogenic CCOCc1nc2ccccc2n1CC 5285553 FGRHLVBWMZFOJJ-UHFFFAOYSA-N 204.273 2.593 0 40 BFAB Cc1cccc(N2C(=O)S[C@H](C)C2=O)c1 5447419 MDYMMJLUNZZXGB-MRVPVSSYSA-N 221.281 2.583 0 40 BFAB COc1ccc(C)cc1[C@H](C)NC(=O)C1CC1 8129569 SWTSAUWLBPIWNT-JTQLQIEISA-N 233.311 2.591 0 40 BFAB O=C(O)[C@H](Cc1ccco1)c1ccc(F)cc1 11588745 YANQZTBKCPDDFL-GFCCVEGCSA-N 234.226 2.830 0 40 BFAB COc1cccc(Oc2ccccn2)c1 12970994 NYTFJVCRVVCOPP-UHFFFAOYSA-N 201.225 2.883 0 40 BFAB in-vitro Cc1ccc(C)c(NC(=O)c2cnc(C)cn2)c1 13017197 POAXCEIPLPNMJG-UHFFFAOYSA-N 241.294 2.654 0 40 BFAB Cc1cc(C)cc(OC[C@H]2CCCNC2)c1 14631223 LIMILWFSSONKFZ-ZDUSSCGKSA-N 219.328 2.682 0 40 BFAB O=C(CCc1cccs1)Nc1ccncc1 17585375 HYMIKROFODIBDI-UHFFFAOYSA-N 232.308 2.714 0 40 BFAB C[C@H]1CCCC[C@H]1NC(=O)c1cccc(N)c1 19259909 FMYFNURJMSQINX-GXFFZTMASA-N 232.327 2.577 0 40 BFAB O=C(Nc1ccc2[nH]ncc2c1)NC1CCCC1 20513890 AAJPLWVEYYOYIS-UHFFFAOYSA-N 244.298 2.627 0 40 BFAB Nc1cc(NC(=O)c2ccccc2)ccc1F 21965810 PXDSPSVHSIFKEQ-UHFFFAOYSA-N 230.242 2.660 0 40 BFAB Nc1ncc(Cc2c(F)cccc2F)s1 22151153 CFOZMBZHTFNWQA-UHFFFAOYSA-N 226.251 2.594 0 40 BFAB C[C@H]1C(=O)C[C@@H](c2ccco2)N[C@@H]1c1ccco1 34685100 ODBXCYFSKSAVDY-BHDSKKPTSA-N 245.278 2.854 0 40 BFAB C[C@H](c1ccco1)n1c(N)nc2ccccc21 35739613 BSACQGNGOKGVMJ-SECBINFHSA-N 227.267 2.821 0 40 BFAB CCCC[C@@H](C)NCCCOC[C@H]1CCCO1 37233854 DIGDHFOBCVSJTQ-ZIAGYGMSSA-N 243.391 2.740 0 40 BFAB CCC[C@@H](c1ccccc1)N1CCC[C@H](N)C1 41027510 VVINIKCMJAXEEK-GJZGRUSLSA-N 232.371 2.951 0 40 BFAB CCC(=O)NCCSCc1ccccc1F 44869163 ZCHPOFRIPYKUJZ-UHFFFAOYSA-N 241.331 2.585 0 40 BFAB Cc1nn(C)c(Cl)c1CNCc1ccccc1 58157759 RSVQYDXBAAWNHO-UHFFFAOYSA-N 249.745 2.672 0 40 BFAB CCNC(=O)N(CC1CC1)C1CCCCC1 69719591 MORGQVLZLSHUOK-UHFFFAOYSA-N 224.348 2.761 0 40 BFAB Cc1cc(N2CCCC2)ncc1[C@H]1CCCN1C 72218846 FSDDOLKUFFICJH-CQSZACIVSA-N 245.370 2.757 0 40 BFAB CCCN1CCC[C@@H]1c1ccncc1C 72219515 MQSGRYBMFDNJHH-CYBMUJFWSA-N 204.317 2.937 0 40 BFAB NCC1(c2cc(Cl)ccc2Cl)CC1 84482390 MKRFMONFWPEUJN-UHFFFAOYSA-N 216.111 2.984 0 40 BFAB Cc1cc(CNCc2c(C)nn(C)c2C)c(C)o1 85395812 LGQGQGMWKIREGQ-UHFFFAOYSA-N 247.342 2.537 0 40 BFAB C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C[C@@H]1CCOC1 89922511 BISZNPCAEKWHTL-RFGFWPKPSA-N 223.360 2.676 0 40 BFAB O=C1CCN(c2ccccc2)c2ccncc2N1 92512398 PHJXFWFPPSJNIT-UHFFFAOYSA-N 239.278 2.562 0 40 BFAB C[C@H]1C[C@H](C)CCN1C(=O)Nc1cccnc1 95400068 GJLGBBVJBBFWQW-MNOVXSKESA-N 233.315 2.734 0 40 BFAB CC(C)OCCCCNC(=O)CC(C)(C)C 96008716 WAJBDNJZLIUHOP-UHFFFAOYSA-N 229.364 2.744 0 40 BFAB Cc1ccc2c(c1)[C@@H](Nc1ccnc(C)n1)CO2 97016220 RODUULJNTBPAOU-LBPRGKRZSA-N 241.294 2.639 0 40 BFAB Cc1cc(N[C@@H]2CCOC2)c2ncccc2c1 97231591 NIORUXYDTGAIDK-GFCCVEGCSA-N 228.295 2.744 0 40 BFAB CCCCCC[C@H](CCC(=O)O)C(=O)O 164037097 MZSHZQAODGHFPQ-SECBINFHSA-N 216.277 2.522 0 40 BFAB biogenic,in-vitro OC[C@H]1C=C[C@@H](N[C@@H](c2cccs2)C2CC2)C1 195558663 MLYBGGXEGMDAMA-ZKYQVNSYSA-N 249.379 2.726 0 40 BFAB Cc1cncc(NC(=O)Nc2ccc(O)cc2)c1 195575683 ZYYXHOHYGFKNEC-UHFFFAOYSA-N 243.266 2.740 0 40 BFAB C[Si](C)(C)Cc1ccccc1C(=O)O 195758614 MQKYHVIDOOUATK-UHFFFAOYSA-N 208.333 2.805 0 40 BFAB COC(=O)c1cccc2cccc(C)c12 196072774 GXRUVFHYPOVADK-UHFFFAOYSA-N 200.237 2.935 0 40 BFAB C[S@](=O)/C=C\c1ccc(Cl)cc1 203634412 KWIIEDMAHNVLDQ-DGMVEKRQSA-N 200.690 2.689 0 40 BFAB CC[C@@H](C)NC(=O)CSCC(C)(C)C 225640645 RBCOTXLQAMXQIT-SECBINFHSA-N 217.378 2.680 0 40 BFAB C[C@H]1c2ccccc2N[C@@H]2CCOC[C@H]21 225816913 CKNOUHZRZPFKDC-XHVZSJERSA-N 203.285 2.621 0 40 BFAB CC(=O)CCc1cccc(Br)c1 1592630 GMAFLRMHQUMGIG-UHFFFAOYSA-N 227.101 2.971 0 40 BFAB CC(=O)c1cc(Cl)c(Cl)cc1N 1683795 BADCOFLZDWJCOV-UHFFFAOYSA-N 204.056 2.778 0 40 BFAB CN(C)C(=O)CCOc1cccc2ccccc12 1720994 XWAJNBCBECTKBE-UHFFFAOYSA-N 243.306 2.697 0 40 BFAB C[C@@H]1c2[nH]c3ccccc3c2C[C@@H]1C(=O)O 1753218 PURWTPKEGVGRRB-CBAPKCEASA-N 215.252 2.528 0 40 BFAB Cc1cccc(C)c1NC(=O)C1CCN(C)CC1 1995340 OFPRDLIBYDNMHH-UHFFFAOYSA-N 246.354 2.584 0 40 BFAB CC(C)Cc1ccc([C@H](C)C2=NCCN2)cc1 2206744 WUFOITUIUASKPI-LBPRGKRZSA-N 230.355 2.990 0 40 BFAB CCOC(=O)c1c(C)[nH]c(-c2ccccc2)c1O 3106540 BSLARCHLQYQAKR-UHFFFAOYSA-N 245.278 2.872 0 40 BFAB CC(=O)Nc1cc(-c2csc(C)n2)ccc1O 4218724 JWMCGGXFFCYBOF-UHFFFAOYSA-N 248.307 2.783 0 40 BFAB Cc1cccc(NC(=O)CCc2cccnc2)c1 7914688 BWFCGAYNTXWUFC-UHFFFAOYSA-N 240.306 2.961 0 40 BFAB C[C@@H](NC=O)c1ccc(Cl)cc1Cl 9434554 YSTFKRRJKIBZRK-ZCFIWIBFSA-N 218.083 2.800 0 40 BFAB C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)O 11888795 ZLRMHHUHESVKKI-RXMQYKEDSA-N 235.066 2.845 0 40 BFAB CCOc1ccccc1C[C@H](CC)C(=O)O 11976840 VUFIIYGQNRTRMD-JTQLQIEISA-N 222.284 2.739 0 40 BFAB O=C(O)c1cnc2ccccc2c1C(F)(F)F 12505590 DPBXCLYXJCGTOU-UHFFFAOYSA-N 241.168 2.952 0 40 BFAB O=C(NCCc1ccsc1)C1CCCC1 13698210 KSWDUFHOMJWOEA-UHFFFAOYSA-N 223.341 2.597 0 40 BFAB CC(C)NC(=S)N1CCC[C@@H]2CCCC[C@H]21 16575452 ZWENQMPVFYLITQ-NWDGAFQWSA-N 240.416 2.924 0 40 BFAB CCNC[C@H](C)Oc1cc(C)ccc1C 19738106 OBLWLAQDGFKMGH-LBPRGKRZSA-N 207.317 2.680 0 40 BFAB CCCCOc1ccc(CNCC)cc1 20084522 NVRQPVDQBNUQEH-UHFFFAOYSA-N 207.317 2.975 0 40 BFAB CCN[C@H](C)c1ccc(OC(F)F)cc1 20084538 OMLOJLUJQYGWNJ-MRVPVSSYSA-N 215.243 2.959 0 40 BFAB CCCCCC(=O)Nc1ccc(F)cc1N 20157327 POSCAOXJJHFZRX-UHFFFAOYSA-N 224.279 2.927 0 40 BFAB COc1ccc2c(CCC(C)=O)c[nH]c2c1 20269301 POCOBIRQUWNCDT-UHFFFAOYSA-N 217.268 2.698 0 40 BFAB Cc1nn(C)cc1NC(=O)c1ccc(Cl)cc1 32610460 IFYHZIDJEVOGDQ-UHFFFAOYSA-N 249.701 2.634 0 40 BFAB COc1ccc([C@H](C)NC(=O)[C@@H]2C[C@H]2C)cc1 35939842 COSNGNOZECLPTG-GBIKHYSHSA-N 233.311 2.528 0 40 BFAB C=CC(=O)N[C@@H](C)c1ccc(Cl)cc1 36334430 NNYJZXPARSFSKE-QMMMGPOBSA-N 209.676 2.703 0 40 BFAB CC(C)(C)C(=O)c1ccc2c(c1)CCO2 36942048 QJIFSRVGLGRPPM-UHFFFAOYSA-N 204.269 2.850 0 40 BFAB Nc1[nH]c2ccccc2c(=O)c1-c1ccccc1 39641761 JAPQDMDFZREIHO-UHFFFAOYSA-N 236.274 2.777 0 40 BFAB CC(C)CCNC(=O)[C@]1(C)CC1(Cl)Cl 40459561 KCUJGBVBJYSYTB-VIFPVBQESA-N 238.158 2.733 0 40 BFAB Cc1ccccc1[C@@H](C)NC(=O)C1CC1 42162572 LWDHHZNVWMTHBS-SNVBAGLBSA-N 203.285 2.582 0 40 BFAB Cc1ccncc1C(=O)c1cccc(F)c1 45028994 NCWXYRREJGKVLO-UHFFFAOYSA-N 215.227 2.760 0 40 BFAB Cc1ccc(NC(=O)c2ccc(C)nc2C)nc1 48385089 XEXOKJNMDLKJJV-UHFFFAOYSA-N 241.294 2.654 0 40 BFAB COC1CCN(Cc2ccccc2Cl)CC1 53906845 NZWDVUXVEVZFJN-UHFFFAOYSA-N 239.746 2.951 0 40 BFAB Cc1cccc(N2C=CC(C)(C)NC2=S)c1 56656617 YHORUKGGDHDXQP-UHFFFAOYSA-N 232.352 2.982 0 40 BFAB Cc1ncccc1[C@@H]1CCCN1C(C)C 72211290 JTXVJKKTPDGJIW-ZDUSSCGKSA-N 204.317 2.935 0 40 BFAB CCN1CCCC[C@H]1c1ccc(S)nc1 72217018 CJJQIHJYHCZXNL-NSHDSACASA-N 222.357 2.917 0 40 BFAB Nc1ccc(Cl)cc1N1CCCCC1 72319847 LCMXORPWQZAMOD-UHFFFAOYSA-N 210.708 2.913 0 40 BFAB Cc1nn(C)c(C)c1[C@H]1CCCN1C(C)C 75133099 PDCOJCLYVDUVNV-GFCCVEGCSA-N 221.348 2.582 0 40 BFAB Nc1ncc(-c2cccc(C(F)(F)F)c2)o1 75843781 SKLVJIBAFSVIIM-UHFFFAOYSA-N 228.173 2.943 0 40 BFAB CC[C@H](c1ccccc1)N(CC(=O)O)C1CC1 79421345 IJIAXWBURWFWIQ-CYBMUJFWSA-N 233.311 2.687 0 40 BFAB Cc1ccc(C(=O)N[C@@H]2CCCc3occc32)o1 84195078 AYRFWVCSEKGKIM-LLVKDONJSA-N 245.278 2.988 0 40 BFAB Cc1sc(Br)c(C=O)c1C 84230324 BUPLOOCSCVGSNU-UHFFFAOYSA-N 219.103 2.940 0 40 BFAB CCS[C@H]1CCC[C@H](NC(=O)N(C)CC)C1 84760736 OCSXWZBMOSQJNP-QWRGUYRKSA-N 244.404 2.712 0 40 BFAB CCC[C@@H](CCCNC(C)(C)C)OC 85396259 PRKUXEKTWMLBRF-NSHDSACASA-N 201.354 2.970 0 40 BFAB C[C@@H]1CCC(=O)[C@H](Cc2cccnc2)C1 86355071 XHGVXYJZMBMEPR-PWSUYJOCSA-N 203.285 2.629 0 40 BFAB C[C@H]1CNCc2cc(Br)ccc21 91368576 DZKBKESMSHBZNB-ZETCQYMHSA-N 226.117 2.656 0 40 BFAB in-vitro COC(=O)c1cc(C)c(OC(C)C)c(C)c1 95095316 OXUAWIPFGIAWOR-UHFFFAOYSA-N 222.284 2.877 0 40 BFAB in-vitro COc1ccccc1NC(=O)[C@H]1C[C@H]2C=C[C@H]1C2 102265386 HFGGAABAPHNSQQ-SRVKXCTJSA-N 243.306 2.846 0 40 BFAB NN[C@H](c1cc(F)cc(Cl)c1)C(F)(F)F 199536440 FDXQGTQJJSILBI-SSDOTTSWSA-N 242.603 2.546 0 40 BFAB COC(OC)c1cc(C(F)(F)F)ccc1C=O 199555608 NDYOTUVJCAAGMB-UHFFFAOYSA-N 248.200 2.809 0 40 BFAB Nc1ccccc1OC[C@@H](F)C(F)(F)F 256053327 QZWZCYHFQRMKPE-MRVPVSSYSA-N 223.169 2.548 0 40 BFAB CN(C)Cc1ccc(-c2ccccc2C(=O)O)o1 257238974 HNHXXISNZMQEQO-UHFFFAOYSA-N 245.278 2.706 0 40 BFAB CCN[C@H](C)Cc1cccc2occc12 299817219 MRILILMKQADCNG-SNVBAGLBSA-N 203.285 2.973 0 40 BFAB in-vitro CCOc1cc(=O)oc2cc(C)ccc12 58024 UQNGBKYOCBSSOA-UHFFFAOYSA-N 204.225 2.500 0 40 BFAB biogenic Cc1ccc(C)c(C(=O)C[C@@H](C)C(=O)O)c1 1718962 YZVXEXSBDIMRGV-SNVBAGLBSA-N 220.268 2.597 0 40 BFAB Cc1cccc(NC2(C(=O)O)CCCC2)c1 1848210 JFIDXGCKHBNSCW-UHFFFAOYSA-N 219.284 2.804 0 40 BFAB O=Cc1ccc(OCCCN2CCCCC2)cc1 4038373 LKFZIDIRWPHNEA-UHFFFAOYSA-N 247.338 2.754 0 40 BFAB CC[C@@H](C)C(=O)N1CCc2ccccc21 5593197 BFCOYJRKVRCWMC-SNVBAGLBSA-N 203.285 2.622 0 40 BFAB CCCNC(=O)Nc1ccc(CC)cc1 5951914 AKJFDTGTJLTJPO-UHFFFAOYSA-N 206.289 2.781 0 40 BFAB CC(=O)Nc1ccc(-c2nc(N)sc2C)cc1 7278821 YWHFXONPZMWKPA-UHFFFAOYSA-N 247.323 2.659 0 40 BFAB O=C(O)c1ccnc(Nc2ccccc2)c1 19844540 HZRCPZQBVMUEOS-UHFFFAOYSA-N 214.224 2.523 0 40 BFAB in-vitro CCn1c(CCl)nc2cc([N+](=O)[O-])ccc21 34925707 HXCBTPHOSBJKEN-UHFFFAOYSA-N 239.662 2.703 0 40 BFAB CC(C)(C)OC(=O)c1ccc(Cl)c(N)c1 37729905 IUDMCRKDUAROBE-UHFFFAOYSA-N 227.691 2.878 0 40 BFAB COC(=O)c1ccc(Oc2cccnc2)cc1 47844034 NCGXAKPNWPIEJG-UHFFFAOYSA-N 229.235 2.661 0 40 BFAB in-vitro C[C@@H](NC(=O)c1ccsc1)c1cccnc1 48325505 LYVZFPRSKJQJHR-SECBINFHSA-N 232.308 2.634 0 40 BFAB Cc1nc(-c2cccc(F)c2)c(N)s1 50308063 CXTQRIDMASTLIW-UHFFFAOYSA-N 208.261 2.840 0 40 BFAB CC(C)(N)[C@H](O)c1cccc2ccccc12 62710119 BXMMGWQUBFURPT-CYBMUJFWSA-N 215.296 2.611 0 40 BFAB Sc1nc(-c2ccc3c(c2)OCO3)cs1 70598271 CATRMGHJLWJJFV-UHFFFAOYSA-N 237.305 2.828 0 40 BFAB CCN1CCCC[C@H]1c1cnc(NC)c(C)c1 72218997 XKDZOOQNKZJHEH-ZDUSSCGKSA-N 233.359 2.979 0 40 BFAB Cc1nc(NCc2ccccc2)ccc1CCO 72224425 ZRYPYVINDGURBA-UHFFFAOYSA-N 242.322 2.537 0 40 BFAB Cc1cc(Br)nn1CC(F)(F)F 72339543 RNUMAHJLDBNULQ-UHFFFAOYSA-N 243.026 2.516 0 40 BFAB CCc1c(C=O)cc(C(C)=O)n1C(C)C 78404390 OFBIXIXQWUVTPW-UHFFFAOYSA-N 207.273 2.647 0 40 BFAB C[C@@H]1CCN(c2nc(C3CC3)no2)[C@H](C)C1 84697727 ZSHIWJNXTUWEIT-RKDXNWHRSA-N 221.304 2.572 0 40 BFAB Cc1ccc(CN2CC[C@]3(CCOC3)C2)s1 93820145 RURRNGQKHQMWLR-ZDUSSCGKSA-N 237.368 2.669 0 40 BFAB COc1cc(-c2ccccc2C=O)ccn1 95699095 YDTPDPMCKJSIJH-UHFFFAOYSA-N 213.236 2.570 0 40 BFAB CC[C@H](C)OCc1ccc(C=O)cc1F 95738702 XRPQDILUPCZXRN-VIFPVBQESA-N 210.248 2.953 0 40 BFAB O=C(c1nccs1)c1cc(F)ccc1F 95739877 ZKKMBJVFGBRCBZ-UHFFFAOYSA-N 225.219 2.652 0 40 BFAB C[C@]1(CC(=O)O)CC(C2CCCCC2)=NO1 212549157 DVKHJXNJCBMZJT-GFCCVEGCSA-N 225.288 2.576 0 40 BFAB CCC(=O)NCCSCc1ccccc1C 224626056 GZKCCROQGZHEJP-UHFFFAOYSA-N 237.368 2.754 0 40 BFAB CC(C)NC(=O)c1ccc2nc(Cl)oc2c1 225973684 UEGCULJZDBBANL-UHFFFAOYSA-N 238.674 2.619 0 40 BFAB Fc1ccc(OCc2ccccn2)c(F)c1 247527504 NNWHJCRPHMJPQK-UHFFFAOYSA-N 221.206 2.939 0 40 BFAB CCCNCc1c(Cl)nc2sc(C)cn12 256050904 GYCSQRXNUWRPPU-UHFFFAOYSA-N 243.763 2.857 0 40 BFAB Cc1cc(OCC(F)(F)F)nc(C2CC2)n1 585650629 CRAFBWKWVGGVRS-UHFFFAOYSA-N 232.205 2.604 0 40 BFAB c1ccn2cc(CSC3=NCCS3)nc2c1 126074 WXAQRAKHLPNLDV-UHFFFAOYSA-N 249.364 2.670 0 40 BFAB Sc1nnc(COc2ccc(Cl)cc2)o1 244664 PDXDDOYYKNFNDC-UHFFFAOYSA-N 242.687 2.591 0 40 BFAB O=C(O)C(Oc1ccccc1)Oc1ccccc1 1555501 BWRPEDIXOHZKFD-UHFFFAOYSA-N 244.246 2.555 0 40 BFAB CN(C)CCCN1C[C@H]2CC[C@@](C)(C1)C2(C)C 1694697 XOLYOIFACSAJQL-HIFRSBDPSA-N 238.419 2.696 0 40 BFAB CCCOc1ccccc1COC(C)=O 1695470 LSWWGFMAEWZIAR-UHFFFAOYSA-N 208.257 2.539 0 40 BFAB C[C@@H]1[C@@H](C)C1(c1ccccc1)C(C)(C)O 1711963 JNYXYYPXALKAQP-GHMZBOCLSA-N 204.313 2.981 0 40 BFAB CC(=O)Oc1c[nH]c2cc(Cl)ccc12 2562314 IPTGFPYPSDDUBV-UHFFFAOYSA-N 209.632 2.747 0 40 BFAB CNC(=O)c1sc(-c2cccs2)nc1C 3358245 BZZWVJMWODTFRM-UHFFFAOYSA-N 238.337 2.540 0 40 BFAB Cc1occc1NC(=O)Nc1ccccc1CO 8133024 DJPJUHBXGDYYRS-UHFFFAOYSA-N 246.266 2.724 0 40 BFAB O=C([C@@H]1C=CCCC1)N1CCCCCC1 8471680 XHUFGPWVRDVPFT-GFCCVEGCSA-N 207.317 2.745 0 40 BFAB CC(C)c1n[nH]c(N)c1-c1ccccc1 8701435 AWIPOSYTMOMIRL-UHFFFAOYSA-N 201.273 2.782 0 40 BFAB CCc1nnc2sc(-c3cccc(C)c3)nn12 9205217 BCTCBERMHOHSSM-UHFFFAOYSA-N 244.323 2.724 0 40 BFAB Cc1ccc(Cl)cc1NC1=NC(=O)CS1 12341769 VEGWOXYLBBDERR-UHFFFAOYSA-N 240.715 2.690 0 40 BFAB Oc1ccc(CCCc2ccc(O)cc2O)cc1 13341105 OKSKNGMIUSMMMM-UHFFFAOYSA-N 244.290 2.979 0 40 BFAB biogenic,in-vitro Clc1cccc(COCC2CCNCC2)c1 14631394 HWUKMUFRTGVJGK-UHFFFAOYSA-N 239.746 2.856 0 40 BFAB CCc1sc(=N)n(C)c1-c1ccc(F)cc1 19894560 MGGLEBIBBVFRFQ-UHFFFAOYSA-N 236.315 2.935 0 40 BFAB Cc1c(SCCN)c2ccccc2n1C 26422294 SPLLUYUXNRLCBJ-UHFFFAOYSA-N 220.341 2.538 0 40 BFAB CCc1n[nH]c(N)c1-c1ccccc1Cl 26511332 XWJBTEXQYNGRPO-UHFFFAOYSA-N 221.691 2.875 0 40 BFAB Cc1ccc(C(=O)N(C)[C@@H](C)C(C)(C)C)cn1 32788230 CFCMDJONDZQAJP-NSHDSACASA-N 234.343 2.897 0 40 BFAB c1ccc(SC[C@@H]2CCCNC2)cc1 34103811 HHPWABHMEOWNCO-LLVKDONJSA-N 207.342 2.778 0 40 BFAB CSCCC(=O)NCc1ccc(Cl)s1 36397584 ZWZPCZKGBHEAAN-UHFFFAOYSA-N 249.788 2.771 0 40 BFAB N[C@@H]1C[C@H]1c1cccc(Cl)c1Cl 37381223 QFCFGKISIRTOOJ-POYBYMJQSA-N 202.084 2.808 0 40 BFAB Cc1ccc(-c2cc(C(=O)NC3CC3)on2)cc1 40513498 BTDLREOQSVAMAZ-UHFFFAOYSA-N 242.278 2.542 0 40 BFAB COc1cccc(N)c1C(=O)c1ccccc1 42784264 SMJHAUJCHKCDBX-UHFFFAOYSA-N 227.263 2.508 0 40 BFAB CCOC(=O)c1cc(Cl)c(OC)c(OC)c1 44200639 QMYDUQAJBRFHMO-UHFFFAOYSA-N 244.674 2.534 0 40 BFAB Cc1cccc(C(=O)c2ccnc(C)c2)c1 45038432 WXYZENKQTXRCKG-UHFFFAOYSA-N 211.264 2.929 0 40 BFAB CC(C)c1ccc(-c2ncc(C(=O)O)cn2)cc1 54856990 ZUTVLEVTJSQEKK-UHFFFAOYSA-N 242.278 2.965 0 40 BFAB Cc1ccccc1NC(=O)c1ccc(F)cc1N 59931711 SIHDGEPCQDUUHT-UHFFFAOYSA-N 244.269 2.969 0 40 BFAB O=C(O)c1ccc(OC2CCC2)cc1Cl 61848611 JTWYJJSBVXMGEY-UHFFFAOYSA-N 226.659 2.970 0 40 BFAB in-vitro CNC[C@@H](OC)c1ccc2ccccc2c1 62711506 YSNLUVJGCBRQGJ-CQSZACIVSA-N 215.296 2.747 0 40 BFAB Fc1c(Cl)nc(C2CC2)nc1Cl 66323425 IWEYDOPVUWBPGT-UHFFFAOYSA-N 207.035 2.800 0 40 BFAB in-vitro C[C@@H](O[C@H]1CCCNC1)c1ccccc1 70265937 RSDFTWILXXYBMB-YPMHNXCESA-N 205.301 2.516 0 40 BFAB N[C@H](c1ccccc1Cl)C(F)(F)F 72194729 DLIXGNJUPCBBER-SSDOTTSWSA-N 209.598 2.902 0 40 BFAB in-vitro CCC(=O)c1cnc(NC2CC2)c(C)c1 72222764 FYBDSASBKBWGCO-UHFFFAOYSA-N 204.273 2.557 0 40 BFAB CC[C@@H](O)c1cnc(N(CC)CC)cc1C 72223263 FKCTZEVGPNDVAL-GFCCVEGCSA-N 222.332 2.680 0 40 BFAB COCCC(=O)Nc1cc(F)c(F)cc1Cl 78985711 BRAJVONNPBRHOK-UHFFFAOYSA-N 249.644 2.593 0 40 BFAB COC(=O)CCc1ccc2nc(C)ccc2c1 82783975 ISLZNNXISNLDCM-UHFFFAOYSA-N 229.279 2.649 0 40 BFAB O=C(O)Cc1cccc(Cl)c1Br 84576642 BWWZVTBUNNJBBT-UHFFFAOYSA-N 249.491 2.730 0 40 BFAB in-vitro Fc1c(Br)ccc2c1CCN2 95935687 OYNNWZXFHIIJDG-UHFFFAOYSA-N 216.053 2.556 0 40 BFAB in-vitro C[C@H](c1ccncc1)N(C)Cc1ccn(C)c1 97113692 SMTRZPYREUAUPP-GFCCVEGCSA-N 229.327 2.613 0 40 BFAB CC1(C)[C@@H]2CC[C@]1(Br)C(=O)C2 101022657 MVJVPLZNNRCART-MUWHJKNJSA-N 217.106 2.529 0 40 BFAB O=C(c1ccccc1OC(F)F)C1CC1 168640994 OCNZBKQOXUZSME-UHFFFAOYSA-N 212.195 2.881 0 40 BFAB CCOC(=O)c1cc(-c2ccccc2OC)on1 196542012 RPROQDMCKZZOBB-UHFFFAOYSA-N 247.250 2.527 0 40 BFAB C[C@@H](C(=O)O)N(C)c1ccc(Cl)cc1Cl 224994059 QITCPZKNTMCRIE-LURJTMIESA-N 248.109 2.903 0 40 BFAB Cc1cccc(-n2ncc3c2C[C@@H](C)CC3=O)c1 228979816 PBNSOVMXFOBFOZ-LLVKDONJSA-N 240.306 2.946 0 40 BFAB CCCC(=O)c1cc(F)c(OC)cc1F 308799434 JPJMDQVAZOSZPL-UHFFFAOYSA-N 214.211 2.956 0 40 BFAB Fc1cnc(N2[C@H]3CC[C@H]2CC(=C2CC2)C3)nc1 1776009670 WFOKPERTSMBZEI-STQMWFEESA-N 245.301 2.837 0 40 BFAB O[C@@H]1c2ccccc2CCc2sccc21 174178 XOLDLQLMMZSXAR-CYBMUJFWSA-N 216.305 2.928 0 40 BFAB O=c1sc2ccccc2n2cccc12 1612231 IWMSMYYYDXIHMP-UHFFFAOYSA-N 201.250 2.514 0 40 BFAB CC(C)CCOC(=O)C(Cl)(Cl)Cl 1682287 HBNLTLLITHPMDZ-UHFFFAOYSA-N 233.522 2.946 0 40 BFAB CC(=O)Nc1cccc2c1C(=O)c1ccccc1-2 1694589 IYHBZVAILOLITM-UHFFFAOYSA-N 237.258 2.856 0 40 BFAB CCOC(=O)/C=C(\C)c1ccc(F)cc1 4105413 ZGPVSBPPWZFTLU-CMDGGOBGSA-N 208.232 2.792 0 40 BFAB Cc1nc(C)c2onc(-c3ccccc3)c2n1 4779393 RTMUBMXFMUZYFU-UHFFFAOYSA-N 225.251 2.902 0 40 BFAB CC(C)(C)CC(=O)Nc1cccc(N)c1 8703412 VNORAPSSTYHQDA-UHFFFAOYSA-N 206.289 2.644 0 40 BFAB Cc1cccc(NC(=O)CCc2ccccc2)n1 9905983 GTPWYDBIOGIQFB-UHFFFAOYSA-N 240.306 2.961 0 40 BFAB Cc1ccc(S[C@@H](C)C(=O)N2CCC2)cc1 12926231 MWSBNIBBQXZZOY-NSHDSACASA-N 235.352 2.708 0 40 BFAB Clc1ccc(OC[C@H]2CCCNC2)cc1 14631238 CJVUFLCVHZSJIN-JTQLQIEISA-N 225.719 2.718 0 40 BFAB COc1cccc(OCC[C@@H]2CCCCN2)c1 14632327 SDIKBKRUKSBVHG-LBPRGKRZSA-N 235.327 2.606 0 40 BFAB CC(=O)c1ccc(OCC=C(C)C)cc1O 21988810 XLMGRHZTEMOJJU-UHFFFAOYSA-N 220.268 2.940 0 40 BFAB Fc1cccc2c(C3CCNCC3)c[nH]c12 26894265 BZQHTIXSXNRYCY-UHFFFAOYSA-N 218.275 2.774 0 40 BFAB CCN(CC)C(=O)c1ccc(F)c(F)c1F 28210619 OJNQXYYMFYLTBA-UHFFFAOYSA-N 231.217 2.586 0 40 BFAB CCOC(=O)/C=C\c1ccccc1OCC 31490320 WJRLRVSUBGIUGI-KTKRTIGZSA-N 220.268 2.662 0 40 BFAB CC(C)(C)C(=O)O[C@H](N)/C=C/c1ccccc1 31872297 PDQVZGAHPRRODS-VMPCVLLUSA-N 233.311 2.574 0 40 BFAB Cc1cccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)n1 32909085 WGUFALSKPWOLCP-QWRGUYRKSA-N 232.327 2.508 0 40 BFAB OCc1ccccc1NC[C@H]1CC=CCC1 37133571 XLJZRWZCONHCFA-LBPRGKRZSA-N 217.312 2.947 0 40 BFAB O=C(O)[C@@H](Cc1ccccc1)Oc1ccccc1 39220542 BQLUUGXNYOGDMW-CQSZACIVSA-N 242.274 2.761 0 40 BFAB CCC[C@@H](C)NC(=O)c1c(F)cccc1F 42141523 HQHTVYLOPLJSGW-MRVPVSSYSA-N 227.254 2.883 0 40 BFAB Cc1ccnc(Oc2ccc(CC(=O)O)cc2)c1 43561877 BZVCSKJCOAVBFE-UHFFFAOYSA-N 243.262 2.809 0 40 BFAB Cc1ccc(C(=O)c2ccccc2F)cn1 45029060 ZIMSRFDOVAUWGG-UHFFFAOYSA-N 215.227 2.760 0 40 BFAB CC[C@@H](C)NC(=O)N[C@@H](C)c1cccc(O)c1 65513362 AGLJOFDWVLHCPV-ZJUUUORDSA-N 236.315 2.551 0 40 BFAB C[C@H]1Cc2cc(Br)ccc2NC1=O 71477003 VHCDRYSMKOGRJF-LURJTMIESA-N 240.100 2.580 0 40 BFAB Cc1noc2c(Br)cccc12 83297273 QHSMWCXTVHKPSV-UHFFFAOYSA-N 212.046 2.899 0 40 BFAB CCOc1ccc(CNc2cc(C)on2)cc1 83358748 RJGVNTDSWKMAOO-UHFFFAOYSA-N 232.283 2.994 0 40 BFAB Cc1nc(C(=O)O)c(CCc2ccccc2)s1 95095468 RPCIIBIANWDJID-UHFFFAOYSA-N 247.319 2.935 0 40 BFAB O=C(c1ccc(F)c(F)c1)C(F)(F)Cl 95916684 DNOKCEKSAITFBZ-UHFFFAOYSA-N 226.556 2.979 0 40 BFAB Clc1ccc(CSc2cn[nH]n2)s1 97012140 KMHXVINOXXKIEB-UHFFFAOYSA-N 231.733 2.812 0 40 BFAB C[C@H](Cl)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 101262821 NIRDDXXHNBLIBQ-AATLWQCWSA-N 217.740 2.555 0 40 BFAB in-vitro O=S1(=O)[C@@H]2C=C(Cc3ccccc3)[C@@H]1CCC2 103109220 FIEQUNLYMBGYDG-KBPBESRZSA-N 248.347 2.505 0 40 BFAB Cc1cccc(OCCn2cnc(C)c2C)c1 106440584 AQCURQOTICGGTQ-UHFFFAOYSA-N 230.311 2.887 0 40 BFAB Cc1c(N[C@@H](C)c2cccc(O)c2)cnn1C 194950299 RYVBSHSNRJPBRV-VIFPVBQESA-N 231.299 2.607 0 40 BFAB CCCNc1ccc(N)cc1C(=O)OCCC 225451850 ZCZMECZQKPIBIV-UHFFFAOYSA-N 236.315 2.658 0 40 BFAB CC1=CCC[C@H](C)[C@@H]1CN[C@H](C)[C@H]1CCOC1 252570839 XJZQFBHGFODYRN-LJISPDSOSA-N 237.387 2.993 0 40 BFAB CC(C)(C)OC(=O)N1CC[C@H]2C=CC[C@@H]21 953091152 YBZNAAJETWOGIC-ZJUUUORDSA-N 209.289 2.572 0 40 BFAB COc1c(Cl)cc(Br)cc1C=O 567162 TYMYZNFVODWIOD-UHFFFAOYSA-N 249.491 2.924 0 40 BFAB Cc1ccccc1NCSC(=S)N(C)C 1669513 FRWYMEINZWIVTK-UHFFFAOYSA-N 240.397 2.944 0 40 BFAB C[C@H]1CC=C[C@H](N2C(=O)c3ccccc3C2=O)C1 1700417 UHPLRASGLXFKSY-QWRGUYRKSA-N 241.290 2.637 0 40 BFAB CCNC(=O)NCc1ccc(Cl)c(Cl)c1 1740180 XLFWGRNHVCYPBL-UHFFFAOYSA-N 247.125 2.813 0 40 BFAB COc1cccc(-c2ccc(O)c(C(=O)O)c2)c1 2525633 PZGDFXFOZUEBMT-UHFFFAOYSA-N 244.246 2.766 0 40 BFAB COc1cccc(OC[C@H](O)c2ccccc2)c1 5640578 JXCUEKBOURBMPA-HNNXBMFYSA-N 244.290 2.808 0 40 BFAB O=C(C[C@@H]1C(=O)Nc2ccccc21)c1ccco1 9485667 TXSDIDNEDFBHLE-JTQLQIEISA-N 241.246 2.588 0 40 BFAB CCCCCn1c(S)nnc1-c1ccncc1 12923160 VSQDOCBKCDZNFN-UHFFFAOYSA-N 248.355 2.819 0 40 BFAB Brc1ccc2c(c1)[C@H]1O[C@H]1CC2 19796261 SYSQBWSXGVPPCP-VHSXEESVSA-N 225.085 2.835 0 40 BFAB Cc1nccc2nc(N3CCCCC3)ccc12 20366632 VOGGEDPKRMCANC-UHFFFAOYSA-N 227.311 2.929 0 40 BFAB CC(C)(C)C(=O)Nc1ccc(-n2ccnc2)cc1 29910675 NQBXPLXZRFRUJN-UHFFFAOYSA-N 243.310 2.857 0 40 BFAB CCCn1nccc1NC(=O)c1cccs1 31770555 DXTXNCBYNJVBPE-UHFFFAOYSA-N 235.312 2.607 0 40 BFAB OCc1cccc(NC2Cc3ccccc3C2)c1 37048722 MBOADLZQKQDTDV-UHFFFAOYSA-N 239.318 2.758 0 40 BFAB in-vitro OCC1(Nc2ccccc2)CCCCC1 38112728 OCCMCBXSULYDIL-UHFFFAOYSA-N 205.301 2.794 0 40 BFAB c1ccc(COCCC[C@H]2CCNC2)cc1 42784202 AMZLYBFWCINLDK-ZDUSSCGKSA-N 219.328 2.593 0 40 BFAB C[C@H](CNC[C@@H]1CCCN(C)C1)c1ccccc1 44534333 BYNMIHNXJRUOBA-CABCVRRESA-N 246.398 2.722 0 40 BFAB Cc1ccc(CNC(=O)C(C)(C)C)cc1F 48342829 APJVZPJIKBRNAR-UHFFFAOYSA-N 223.291 2.796 0 40 BFAB CNC[C@H](OC)c1cc(Cl)ccc1Cl 62711465 YHHBVGNOVDBSPE-JTQLQIEISA-N 234.126 2.900 0 40 BFAB C[C@H](Nc1ccc(F)cc1)c1cnccn1 70024510 JJUQVFNDXVLXKG-VIFPVBQESA-N 217.247 2.789 0 40 BFAB CC(C)c1nc(CNC(=O)[C@H]2C[C@H]2C)cs1 71879564 IOURNVBNHGRUDO-SCZZXKLOSA-N 238.356 2.539 0 40 BFAB O=C(O)/C=C/c1ccnc2ccc(Cl)cc12 72206435 UPCHJYBNSNFZCC-DAFODLJHSA-N 233.654 2.986 0 40 BFAB Cc1cc([C@@](C)(O)CNc2ccccn2)c(C)o1 78308418 WIEXCXCKCFNEDV-AWEZNQCLSA-N 246.310 2.611 0 40 BFAB CC(C)C(=O)N1CCC[C@H]1COc1ccccc1 79050843 DWTANAATYQOXBU-ZDUSSCGKSA-N 247.338 2.712 0 40 BFAB CNC(=O)N(C)CC(C)(C)c1ccc(C)cc1 80611773 JZINKWWCQLYQRV-UHFFFAOYSA-N 234.343 2.544 0 40 BFAB CNCc1ccc(Cl)cc1Br 84530233 JBVUBUUOLJPJTJ-UHFFFAOYSA-N 234.524 2.822 0 40 BFAB CC(C)(C)OC(=O)N1CCc2ccc(C=O)cc21 89209559 CIZCOLAJWVBFIV-UHFFFAOYSA-N 247.294 2.797 0 40 BFAB CONC(=O)[C@H]1C[C@H]1c1cccc2ccccc12 89420514 AIBSUEFOEGYDGK-KBPBESRZSA-N 241.290 2.621 0 40 BFAB CC1(C)[C@H]2CN(C(=O)C3CCCCC3)C[C@H]21 89917668 OXGNEPFFSVWPFX-TXEJJXNPSA-N 221.344 2.681 0 40 BFAB CC(C)(O)Cc1cc(F)cc(Cl)c1 95729114 MLOXECHYGLSPFY-UHFFFAOYSA-N 202.656 2.793 0 40 BFAB C[C@@H]1CCCN(Cc2ccccc2C=O)C1 95738629 SISUHXOCDSOAEI-GFCCVEGCSA-N 217.312 2.731 0 40 BFAB O=C(Nc1ccc(O)cc1F)C1=CCCC1 97098097 DRBRIITVGJUXCR-UHFFFAOYSA-N 221.231 2.580 0 40 BFAB CC(C)c1ccc([C@H]2CN(C)C[C@@H]2C(=O)O)cc1 217664829 FQHJTCOFTPBBDN-KGLIPLIRSA-N 247.338 2.540 0 40 BFAB Cc1ccc(N[C@H]2CCC[C@@H]2N)cc1C 218876499 VPIWXOZLZXIZAG-STQMWFEESA-N 204.317 2.595 0 40 BFAB C[C@H](C(=O)O)N(C)c1cccc(Cl)c1Cl 224993453 QDUIFSBAIPOCII-ZCFIWIBFSA-N 248.109 2.903 0 40 BFAB C[C@@H]1CCCCN1C[C@H](CO)c1ccccc1 248119000 UIKUEKDWMHIBRL-UKRRQHHQSA-N 233.355 2.637 0 40 BFAB c1ccc(-c2cccc(C[C@H]3CCNC3)n2)cc1 257229922 GAAAPWDFVBVJGN-CYBMUJFWSA-N 238.334 2.901 0 40 BFAB CC1(C)CNC[C@@H]1c1cc(F)ccc1F 409429591 CTYDQAZTCIMDRR-SNVBAGLBSA-N 211.255 2.678 0 40 BFAB COc1nc2c(Cl)cccc2cc1C(=O)O 527420404 HRKYMTDTKPRZGY-UHFFFAOYSA-N 237.642 2.595 0 40 BFAB Cc1nc(C)c(CN2CCC(F)(F)CC2)s1 793361933 NBWQNCXKPOVXHJ-UHFFFAOYSA-N 246.326 2.991 0 40 BFAB CC(=O)CSc1c[nH]c2ccccc12 346399 QELFCDYSBXSHNB-UHFFFAOYSA-N 205.282 2.849 0 40 BFAB Cc1c(N)ccc(-n2nc3ccccc3n2)c1C 353195 GHWYFEGTRAZLIJ-UHFFFAOYSA-N 238.294 2.620 0 40 BFAB Cc1cc(C)n(-c2ccc(Cl)cc2)c(=O)n1 383262 JBNJTEMNFNLTFR-UHFFFAOYSA-N 234.686 2.503 0 40 BFAB Cc1cccc2nnc(-c3ccccc3)n12 1719299 SBGARLVMBLQXRR-UHFFFAOYSA-N 209.252 2.705 0 40 BFAB COc1cccc(OC(=O)c2ccccc2)c1 1722766 RJQSMMZRWQXFTQ-UHFFFAOYSA-N 228.247 2.914 0 40 BFAB N[C@H](c1cccc(Br)c1)C1CC1 3739287 LWGOWJNHCOOGOG-JTQLQIEISA-N 226.117 2.859 0 40 BFAB O=C(O)c1ccc(O[C@@H]2C=CCCC2)cc1 4742616 PDVBRFKIRWATOO-LLVKDONJSA-N 218.252 2.872 0 40 BFAB Cc1cccnc1NC(=O)C[C@@H]1C=CCC1 12528158 PKCLXLVMOOWQFM-LLVKDONJSA-N 216.284 2.685 0 40 BFAB C[C@@H]1C[C@@H]1C(=O)Nc1cccc2cccnc12 12972109 PIEGJDNAXPKJAG-KOLCDFICSA-N 226.279 2.829 0 40 BFAB Cc1ccccc1OCc1cc(C(=O)O)co1 16363039 MTJMYKVDQRTNCN-UHFFFAOYSA-N 232.235 2.865 0 40 BFAB Cc1cc(F)ccc1Cc1cnc(N)s1 22151202 KGGHAEICXKBRPJ-UHFFFAOYSA-N 222.288 2.764 0 40 BFAB O=S(=O)(O)c1cccc2c(Cl)cccc12 34496540 HQVZFRYJHNRSMU-UHFFFAOYSA-N 242.683 2.740 0 40 BFAB C[C@H](Cn1ccnc1)NC[C@H](C)c1ccccc1 35275270 ISVMDQHHEFJSMN-UONOGXRCSA-N 243.354 2.665 0 40 BFAB FC(F)(F)c1ccc(N2CCCNCC2)cc1 35298407 RYZWNBSEICLLER-UHFFFAOYSA-N 244.260 2.505 0 40 BFAB CCOc1cccc(C(=O)O)c1OCC(C)C 37477348 FBZYWOQTLSQZNM-UHFFFAOYSA-N 238.283 2.818 0 40 BFAB O[C@@H](c1cccnc1)c1cnc2ccccc2c1 37761636 WCNIRLZLFVLWCG-HNNXBMFYSA-N 236.274 2.712 0 40 BFAB O[C@@H](c1ccc(F)c(F)c1)c1ccco1 40254698 DUFPOKCOSSVQDU-NSHDSACASA-N 210.179 2.640 0 40 BFAB CCOCc1ccccc1CNC(=O)C1CCC1 40504487 XTEOFAKPOQGUHH-UHFFFAOYSA-N 247.338 2.639 0 40 BFAB C[C@@H](CNC[C@@H]1CCCN(C)C1)c1ccccc1 44534332 BYNMIHNXJRUOBA-GJZGRUSLSA-N 246.398 2.722 0 40 BFAB CC(C)Sc1nnnn1C1CCCCC1 48396167 RDIHSRQVOQJGOQ-UHFFFAOYSA-N 226.349 2.679 0 40 BFAB CCN(C)C(=O)Nc1ccc(F)c(Cl)c1 69700960 ZCLPBFUTGFTQTH-UHFFFAOYSA-N 230.670 2.963 0 40 BFAB CC[C@H](C)[C@H](N)c1nnc(-c2ccccc2)o1 72210626 MXBAYESEGFWNGW-ONGXEEELSA-N 231.299 2.783 0 40 BFAB Cc1cc([C@H]2CCCN2C(C)C)cnc1N 72218440 YLSLKMMWNNPBTC-GFCCVEGCSA-N 219.332 2.518 0 40 BFAB O=C(Nc1ccnc(Cl)c1)c1ccccc1 75282821 QIAMRMDFJCKFNO-UHFFFAOYSA-N 232.670 2.987 0 40 BFAB C[C@H]1CC[C@@H](C)N(CCc2ccccn2)C1 76150554 ZUZIVYUHJKOJJC-QWHCGFSZSA-N 218.344 2.745 0 40 BFAB C[C@H](Nc1csc2ccccc12)C(=O)O 77031903 YPJJGMCMOHDOFZ-ZETCQYMHSA-N 221.281 2.786 0 40 BFAB CCN(CCO)Cc1cccc(Cl)c1Cl 79420682 DQGWGFYVQZVTSP-UHFFFAOYSA-N 248.153 2.808 0 40 BFAB Cc1ccc(-c2ncc(C(=O)O)c(Cl)n2)cc1 84097257 MYHVVAWDQJHOKC-UHFFFAOYSA-N 248.669 2.804 0 40 BFAB CC(C)C[C@@H](N)c1nc2cccnc2n1C1CC1 88872132 BTYGSVFJZFGJQD-LLVKDONJSA-N 244.342 2.812 0 40 BFAB CCCn1c(C)nnc1SCc1ccccn1 89637766 USVKQSBGGKZUFX-UHFFFAOYSA-N 248.355 2.684 0 40 BFAB Cc1ncccc1CNc1cnn(CC(C)C)c1 90200090 ADIURZSACOBOML-UHFFFAOYSA-N 244.342 2.855 0 40 BFAB Cc1cccc(F)c1NC(=O)Cc1cccnc1 97035154 DEMLSIYKBZKNAK-UHFFFAOYSA-N 244.269 2.710 0 40 BFAB C[C@@H](c1cccc(Cl)c1)N1CCC[C@@H](N)C1 100213391 BPSRIOXFNLJBPC-GXFFZTMASA-N 238.762 2.824 0 40 BFAB c1ccc([C@@H]2CN[C@@H]3CCCC[C@H]32)cc1 102178107 UWANJFHETVWHSC-MELADBBJSA-N 201.313 2.932 0 40 BFAB in-vitro N#C[C@H](Cc1cccc(Cl)c1Cl)C(=O)O 205777786 VPJNFRXTNLNCMR-ZETCQYMHSA-N 244.077 2.760 0 40 BFAB Cc1ccccc1-n1ccc(Br)n1 216587608 WKVJXQNRKMKFEB-UHFFFAOYSA-N 237.100 2.943 0 40 BFAB COc1c(F)cc(C(=O)O)c2cccc(F)c12 228914290 TTYOIWDHZLQEEH-UHFFFAOYSA-N 238.189 2.825 0 40 BFAB CCOC(=O)CCc1c[nH]c2cc(C)ccc12 341057145 ODNYRJUHLXCYCV-UHFFFAOYSA-N 231.295 2.972 0 40 BFAB CC[C@@H](C)OCC(F)(F)C(F)(F)F 1083806274 CPPMIVVWEOFHKA-RXMQYKEDSA-N 206.154 2.999 0 40 BFAB O=C(Cc1ccccc1)Nc1ccccc1O 362219 QAFXRWOIRKOKAZ-UHFFFAOYSA-N 227.263 2.573 0 40 BFAB Cc1c(O)ccc2c(C(F)(F)F)cc(=O)oc12 451432 LMPLCARGCBBRAW-UHFFFAOYSA-N 244.168 2.826 0 40 BFAB COC(=O)CS[C@H](C)c1ccccc1 1596100 ABECNFMZWQOJKA-SECBINFHSA-N 210.298 2.654 0 40 BFAB O=C(Cc1cccc(O)c1)OCc1ccccc1 2526453 ALFOBMRIXXPJLQ-UHFFFAOYSA-N 242.274 2.678 0 40 BFAB C[C@H]1CCCC[C@@]1(O)[C@H](C(=O)O)c1ccccc1 4683103 LSEQDEFEFOPADI-WHOFXGATSA-N 248.322 2.796 0 40 BFAB Cc1ccsc1C(=O)N[C@@H](C)c1ccncc1 5226722 PFQFSFADMSWUGO-JTQLQIEISA-N 246.335 2.943 0 40 BFAB O=C1C[C@H](c2ccc(Cl)cc2)[n+]2ccccc21 6322743 CRDGNKPKFNKHOZ-CYBMUJFWSA-N 244.701 2.803 0 40 BFAB Cc1cccc(C)c1OCCSc1ncn[nH]1 8231655 IBLKZOKPWRGMAZ-UHFFFAOYSA-N 249.339 2.593 0 40 BFAB O=C(O)COc1ccc2c(c1Cl)N=S=N2 13116190 JOKMZWMTODEYKE-UHFFFAOYSA-N 244.659 2.530 0 40 BFAB in-vitro c1csc([C@H]2NCCc3ccccc32)c1 19793818 FHDLSGWIMXIQQV-ZDUSSCGKSA-N 215.321 2.983 0 40 BFAB in-vitro CCCCc1nc(-c2cccc(O)c2)no1 26514558 BXVMSTSHSMNINW-UHFFFAOYSA-N 218.256 2.785 0 40 BFAB in-vitro COCC(=O)N[C@@H](C)c1ccc2ccccc2c1 27319512 NPIBTYVWVKVQAF-NSHDSACASA-N 243.306 2.663 0 40 BFAB CCC(=O)c1cc(Br)ccc1N 34181909 QGGYMYVVGFZOCT-UHFFFAOYSA-N 228.089 2.624 0 40 BFAB CC(C)(C)OC(=O)N1CCCc2cc(N)ccc21 35055813 DWDAWBIUBAENFF-UHFFFAOYSA-N 248.326 2.957 0 40 BFAB in-vitro Nc1ccc(C2(C(=O)O)CCCCC2)cc1 36155119 YGRBKPGPUVNQSI-UHFFFAOYSA-N 219.284 2.555 0 40 BFAB CCCN1CCN(c2cccc(C)c2)CC1 40119923 WIOBRPAVJKPBGQ-UHFFFAOYSA-N 218.344 2.527 0 40 BFAB Cc1cc(N[C@H](C)c2ccccc2F)nc(N)n1 45724165 CSAJVHCMJVVMQC-SECBINFHSA-N 246.289 2.679 0 40 BFAB CCC[n+]1c(N)sc2cc(Cl)ccc21 61968231 IIILYRLNXCTRHJ-UHFFFAOYSA-O 227.740 2.834 0 40 BFAB Cc1ccc(-c2cc(C=O)on2)cc1C 64033752 NKCCZRTTZWSJBA-UHFFFAOYSA-N 201.225 2.771 0 40 BFAB in-vitro CCC(CC)C(=O)Nc1ccnc(C)c1 74932063 OIBARWAAHWJOMW-UHFFFAOYSA-N 206.289 2.765 0 40 BFAB Nc1noc(-c2cc(Cl)ccc2Cl)n1 75771989 MNVBPIANEWLKMQ-UHFFFAOYSA-N 230.054 2.626 0 40 BFAB in-vitro CCC1(CC)C(=O)OC(c2ccccc2)OC1=O 87492941 YAXGZASOUGNRFT-UHFFFAOYSA-N 248.278 2.592 0 40 BFAB CCS[C@H]1CCCN(Cc2ccccc2)C1=O 89603057 JTYBYUPFYVVKIX-ZDUSSCGKSA-N 249.379 2.931 0 40 BFAB C[C@H]1CCC[C@H](CSc2nncn2C)C1 92199097 JVCPIIVYJIBDRV-UWVGGRQHSA-N 225.361 2.734 0 40 BFAB CC(C)COc1cc(F)cc([C@@H](C)O)c1 95739628 GXJVASCYWHIMST-SECBINFHSA-N 212.264 2.914 0 40 BFAB Cc1cc(C(=O)N(C(C)C)C2CC2)ccc1N 97020210 LSKPHHMLRJIEDX-UHFFFAOYSA-N 232.327 2.590 0 40 BFAB CCN(Cc1ccc(F)cc1F)C(C)(C)CO 97096339 CBCGCBOSDODVGA-UHFFFAOYSA-N 243.297 2.558 0 40 BFAB C[C@H](CO)N[C@H]1C[C@H](c2ccccc2)C1(C)C 123001626 BUHSTDYMOSNGSY-BNOWGMLFSA-N 233.355 2.539 0 40 BFAB CNc1nc(C(=O)O)c(-c2ccccc2)s1 222557821 PTEUELJKSOPDHV-UHFFFAOYSA-N 234.280 2.550 0 40 BFAB Cc1cc(F)ccc1N1CCN[C@@H]2CCCC[C@@H]21 225713756 PIUCDRHUXOYAGO-HIFRSBDPSA-N 248.345 2.855 0 40 BFAB Cn1ncc2c(Cl)cc(Br)cc21 584617785 KZGHAXQZQPZCNO-UHFFFAOYSA-N 245.507 2.989 0 40 BFAB COc1nc2ccc(C(F)(F)F)cc2cc1N 685938376 KOFKWCGJLQURQZ-UHFFFAOYSA-N 242.200 2.844 0 40 BFAB Oc1cc(-c2ccc3ccccc3c2)[nH]n1 32866 RKCRSIAYPVEFGW-UHFFFAOYSA-N 210.236 2.936 0 40 BFAB FC(F)(F)C1=CC(c2ccccc2)=NCCN1 90508 MTGUYKMVEUMQQY-UHFFFAOYSA-N 240.228 2.525 0 40 BFAB Cn1c(C(=O)c2ccncc2)cc2ccccc21 387464 DIDNNBTXXOKPAK-UHFFFAOYSA-N 236.274 2.804 0 40 BFAB CCCCC(=O)Oc1ccccc1C(=O)OC 2065803 FPISLXSADRJTFB-UHFFFAOYSA-N 236.267 2.569 0 40 BFAB O=C(CNCCc1ccccc1)c1ccccc1 2751533 ZKCZNXNVGIPWBN-UHFFFAOYSA-N 239.318 2.702 0 40 BFAB O=Cc1cn(-c2ccccc2)nc1-c1ccccn1 3183080 AOHOQZPDLJHDRM-UHFFFAOYSA-N 249.273 2.747 0 40 BFAB O=C1CS[C@H](c2ccc(F)cc2)N1C1CC1 4218585 QIEZFSGRYQGRTO-GFCCVEGCSA-N 237.299 2.562 0 40 BFAB CC(=O)C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 5004900 NLPHDTMWKOYKFS-YUSALJHKSA-N 226.316 2.579 0 40 BFAB O=C(O)C[C@H]1CCCCc2ccccc21 5776354 FYGBFBQPBKHOMB-LLVKDONJSA-N 204.269 2.971 0 40 BFAB CCC(C)(C)NC(=O)c1cccnc1SC 8327642 FYYBTGCQCUJIDS-UHFFFAOYSA-N 238.356 2.722 0 40 BFAB O=C(O)c1ccc(COc2cccc(F)c2)o1 8378262 UJAQNRUQURRIAO-UHFFFAOYSA-N 236.198 2.696 0 40 BFAB CCOc1ccc(C(=O)O)cc1N1CCCCC1 8703661 ZQVFSUBNQLLUQI-UHFFFAOYSA-N 249.310 2.774 0 40 BFAB CCOC(=O)c1cccc(-c2ccc(CO)o2)c1 8729578 XBKDMFWAQDOJNL-UHFFFAOYSA-N 246.262 2.616 0 40 BFAB COc1cc(NC(=O)c2ccoc2)cc(OC)c1 12615718 NIDNMGRCGGLJMD-UHFFFAOYSA-N 247.250 2.549 0 40 BFAB CC[C@]1(C)Cc2ccccc2C(=S)N1 13544335 ZMUHKQKYSOBNTH-GFCCVEGCSA-N 205.326 2.677 0 40 BFAB Cc1cn2nc(NC3CCCCC3)sc2n1 28068691 HFAJHAXVEZHSLX-UHFFFAOYSA-N 236.344 2.844 0 40 BFAB COc1cccc(C2(N)CCCCC2)c1 28966192 HCAWFOVQBDALEZ-UHFFFAOYSA-N 205.301 2.813 0 40 BFAB CC[C@H](Oc1cccc(C)c1)C(=O)NCC(C)C 30858399 VGNABDVITLUEMZ-AWEZNQCLSA-N 249.354 2.925 0 40 BFAB Cc1ccc(-c2nnc([C@@H]3CCCNC3)o2)cc1 32101191 HGNCPLQTCNGBCM-GFCCVEGCSA-N 243.310 2.512 0 40 BFAB C[C@H]1C[C@@H]1C(=O)Nc1ccccc1N1CCCC1 32678856 MHRBMOUCOGEZLR-RYUDHWBXSA-N 244.338 2.881 0 40 BFAB Cc1ccc(NC(=O)c2cc(C)oc2C)nc1 36892842 YPPBJRFYOWUZSM-UHFFFAOYSA-N 230.267 2.852 0 40 BFAB O=C(O)CCc1ccc(C(F)(F)F)c(F)c1 38529611 MZAXOCZCRTUISW-UHFFFAOYSA-N 236.164 2.862 0 40 BFAB CCOc1ccc([C@@H](O)c2ccco2)cc1 40244651 NCIUMKVMNYKSBM-CYBMUJFWSA-N 218.252 2.760 0 40 BFAB CN[C@H]1CCc2c(OC(F)(F)F)cccc21 42405251 RAAJLRDSCZJNJS-VIFPVBQESA-N 231.217 2.792 0 40 BFAB Cc1cc(C(=O)N(CCC(C)C)C2CC2)no1 42767629 WUBADYCVAKCEAL-UHFFFAOYSA-N 236.315 2.634 0 40 BFAB Cc1noc(CN2CCc3sccc3[C@H]2C)n1 44897046 GWGZTMSPLGHULF-MRVPVSSYSA-N 249.339 2.559 0 40 BFAB Clc1ccc(N2CCCNCC2)cc1Cl 53146589 RNTRTWNFDBADFV-UHFFFAOYSA-N 245.153 2.793 0 40 BFAB in-vitro Nc1nnc(-c2ccc(F)c(Cl)c2)s1 67799744 OLJGSHPMCJDEDS-UHFFFAOYSA-N 229.667 2.580 0 40 BFAB Fc1cnccc1-c1cccc2c1CCNC2 71388837 PONAYBBQEOXWFA-UHFFFAOYSA-N 228.270 2.533 0 40 BFAB CCOc1ncc([C@@H](N)c2ccccc2)cc1C 72222102 GIBIEIXHQAMISS-AWEZNQCLSA-N 242.322 2.837 0 40 BFAB CCNC(=O)N1CCCCC[C@H]1c1ccco1 77538583 CKCRTQFYLNMNSA-NSHDSACASA-N 236.315 2.926 0 40 BFAB N[C@H](c1ccc(C(F)(F)F)cc1)C(F)F 84192291 YAQVAEGCXTZKOW-SSDOTTSWSA-N 225.160 2.970 0 40 BFAB CC(=O)N1CCc2cc(Cl)cc(Cl)c2C1 84209482 DHRMWOOBTXWVFK-UHFFFAOYSA-N 244.121 2.898 0 40 BFAB Brc1cccc2c1CNCC21CC1 91368628 IXWPXNGLVHEPGU-UHFFFAOYSA-N 238.128 2.584 0 40 BFAB Oc1ccc(OC(F)F)cc1Br 95629389 ZJLFLJCFIHGCCR-UHFFFAOYSA-N 239.015 2.756 0 40 BFAB COc1cc(Cl)cc(CSCCN)c1 95704905 ZDMDMWNAWLGAPG-UHFFFAOYSA-N 231.748 2.541 0 40 BFAB CC(C)N(CCN[C@@H](C)c1ccco1)C1CC1 95967733 MPCBWNWRGRYAEH-LBPRGKRZSA-N 236.359 2.803 0 40 BFAB CC(C)CNc1cccc(C[S@@](C)=O)c1 95981678 BIRIOTFJOMREPK-HNNXBMFYSA-N 225.357 2.633 0 40 BFAB CC(C)=CCN1CC[C@@H](C)[C@@H](n2ccnc2)C1 95981726 OFAMWEALWZLOLF-KGLIPLIRSA-N 233.359 2.732 0 40 BFAB C[C@@H](CCc1ccccc1)CN(C)[C@@H](C)CN 97162646 XVGZMRVUUQZLLL-KBPBESRZSA-N 234.387 2.534 0 40 BFAB CC(C)(C)NC(=O)[C@]1(Cl)C[C@@H]2CC[C@@H]1C2 100020042 IDAWKBSGBCJOGP-LNLATYFQSA-N 229.751 2.699 0 40 BFAB C[n+]1ccccc1N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 102177068 QAZUEUZQBHPOHM-CJNGLKHVSA-N 245.390 2.916 0 40 BFAB CCOc1ccccc1NCC(C)(C)C(=O)O 106097487 HPDRIUDUZDFEQX-UHFFFAOYSA-N 237.299 2.608 0 40 BFAB CC(=O)c1ccc(N)c(Cl)c1Cl 199543871 POCXNEWMDGFBEH-UHFFFAOYSA-N 204.056 2.778 0 40 BFAB Cc1cc(C)c(N)c(NCc2ccccn2)c1 223776857 WEENNYBRQAABRA-UHFFFAOYSA-N 227.311 2.893 0 40 BFAB CC1(C)[C@@H]2CC[C@]1(C)[C@@](O)(c1ccccc1)[C@@H]2O 225604772 LBJOLABNGPWNAP-LUYZLQTOSA-N 246.350 2.691 0 40 BFAB CCOCCCNC(=O)c1cc(C)c(C)cc1C 225643252 MEQFCVXMQOLDNS-UHFFFAOYSA-N 249.354 2.768 0 40 BFAB CCCN(c1cccc(C)c1)[C@H](C)C(=O)O 260679488 PEQGFMLPJWJUFV-LLVKDONJSA-N 221.300 2.685 0 40 BFAB c1cc2sc(N3C[C@@H]4CCC[C@H]4C3)nc2cn1 1888856736 JCMPHPCWMPCEFM-UWVGGRQHSA-N 245.351 2.928 0 40 BFAB CCOc1cccc(=O)c2c(C)oc(C)c12 313119 JGARVUDPDZXBGL-UHFFFAOYSA-N 218.252 2.809 0 40 BFAB COc1ccc([C@H](C)NCc2ccccn2)cc1 385597 JINUFJPBUFJVCR-LBPRGKRZSA-N 242.322 2.941 0 40 BFAB O=C(Nc1ccncc1)[C@H]1C[C@@H]1c1ccccc1 461489 NOMFGVQIYPJHNJ-KGLIPLIRSA-N 238.290 2.824 0 40 BFAB in-vitro Cn1c(=O)c2c(c3ccccc31)OC(C)(C)C=C2 900263 RJZFGBNKPOVCHQ-UHFFFAOYSA-N 241.290 2.723 0 40 BFAB biogenic,in-vitro Cc1occc1C(=O)N1CCc2ccccc2C1 1480387 YJCHNNQIHIITTQ-UHFFFAOYSA-N 241.290 2.787 0 40 BFAB CCOCCCNC(=O)/C(C)=C/c1ccccc1 4694466 QPCFXHLFHZQXQD-OUKQBFOZSA-N 247.338 2.633 0 40 BFAB CC(C)[C@@H]1OC(=O)c2ccccc2S1 4726991 XGXAUAZUWFYZPB-LLVKDONJSA-N 208.282 2.931 0 40 BFAB CCOC(=O)[C@@H]1c2[nH]c(C)c(C)c2S[C@H]1C 5796548 KDAGWSDHTPDJCQ-IUCAKERBSA-N 239.340 2.772 0 40 BFAB CCCNC(=S)Nc1ccccc1F 7521525 FWIOSSRHDBFKML-UHFFFAOYSA-N 212.293 2.522 0 40 BFAB CCOc1ccc(CN[C@H](C)CC)cc1OC 8325949 DBUCPIPTXMSJFL-LLVKDONJSA-N 237.343 2.982 0 40 BFAB N[C@@H](CCc1ccco1)c1ccccc1 11606064 DODVEQPTBZDJSF-ZDUSSCGKSA-N 201.269 2.912 0 40 BFAB O=C1CCCC[C@H]1C[C@H]1CCCCC1=O 12341690 CNVYERSDZLTUQK-PHIMTYICSA-N 208.301 2.895 0 40 BFAB O=C(C1CC1)N1CCC[C@@H]2CCCC[C@H]21 12953342 JEEWWSZOQQMYRG-CMPLNLGQSA-N 207.317 2.578 0 40 BFAB CCOc1ccc(N)cc1C(=O)OC(C)(C)C 20155754 BCSOHKMTESDCTK-UHFFFAOYSA-N 237.299 2.623 0 40 BFAB Cc1occc1C(=O)N1CCc2sccc2C1 21627928 OSTNAPAWSVUZJP-UHFFFAOYSA-N 247.319 2.848 0 40 BFAB Cc1nn(C)c2c(Cl)nc(-c3ccco3)nc12 26468465 SFTBUNHZJJTAHW-UHFFFAOYSA-N 248.673 2.585 0 40 BFAB CCOc1ncccc1NC(=O)c1ccc(C)o1 27512339 ZTMYEARVHNDBSY-UHFFFAOYSA-N 246.266 2.634 0 40 BFAB CCCC(=O)c1cc(OC)ccc1OC 34535184 GCWSFFYGOMMFTP-UHFFFAOYSA-N 208.257 2.687 0 40 BFAB COc1ccc(Br)c(OC)c1F 34562043 PFJBJBLXZJRUBQ-UHFFFAOYSA-N 235.052 2.605 0 40 BFAB COC(=O)CCCC(=O)c1ccc(Cl)cc1 34582146 JZZHIHFYNGRVAL-UHFFFAOYSA-N 240.686 2.866 0 40 BFAB CCCCNc1cc(C(=O)OC)ccc1C 35036512 YFXMDCYPLZMBFR-UHFFFAOYSA-N 221.300 2.994 0 40 BFAB CC(C)[C@@H](C)NC(=O)c1ccc(F)cc1 37486566 KUZFUBRSUSZSST-SECBINFHSA-N 209.264 2.600 0 40 BFAB CC[C@@H](C)Oc1ccc(N)c2cccnc12 37657907 VHHVCYGBEKSWQM-SECBINFHSA-N 216.284 2.994 0 40 BFAB CCc1ccc([C@H](O)c2ccco2)cc1 40255005 QYJPGWKAAGEQKA-ZDUSSCGKSA-N 202.253 2.924 0 40 BFAB COc1ccc(-c2ccc(=S)[nH]n2)cc1OC 41300671 WUOMAKKLKQKDIA-UHFFFAOYSA-N 248.307 2.823 0 40 BFAB Cc1cc(O[C@@H]2CCCNC2)ccc1Cl 42782835 RKJHPBLJHUALFW-LLVKDONJSA-N 225.719 2.779 0 40 BFAB CCC(=O)N1CCC(c2ccccc2)CC1 43091798 PBRHLAOPIDWVSK-UHFFFAOYSA-N 217.312 2.803 0 40 BFAB CC[C@@H](O)Cc1cc(Cl)ccc1OC 53784356 JNAWIMKCEOXORD-SNVBAGLBSA-N 214.692 2.662 0 40 BFAB Cc1ccc(C(=O)N[C@H](C)C(C)C)cc1 57159814 MWPFRJUBLWMJQP-LLVKDONJSA-N 205.301 2.769 0 40 BFAB COc1ccc(F)c(-c2ncccc2C(=O)O)c1 65347938 NTQQACVFYZFTLU-UHFFFAOYSA-N 247.225 2.595 0 40 BFAB CC(C)C[C@@H]1CCN(C(=O)c2ccc[nH]2)C1 73187766 BZHOSGCMZBJWTA-NSHDSACASA-N 220.316 2.523 0 40 BFAB COc1ccc(-c2oc(C)cc2C(=O)O)cc1 75423095 DIDUZIXEBMNUSD-UHFFFAOYSA-N 232.235 2.962 0 40 BFAB in-vitro NC(=O)c1cc(C2CC2)nc2ccc(Cl)cc12 81557219 NHFAAJBYHSFDAY-UHFFFAOYSA-N 246.697 2.865 0 40 BFAB CNC(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 89385863 MYUSZFSTDNYXDC-RKDXNWHRSA-N 243.228 2.555 0 40 BFAB CC(C)[C@H](C)Nc1cccc(-c2nc[nH]n2)c1 97038194 QFWWHYRMPWDMNS-JTQLQIEISA-N 230.315 2.928 0 40 BFAB C[C@@H](OCC1CC1)C(=O)OC1CCCCC1 120227574 OUUDDYTZQFINIW-SNVBAGLBSA-N 226.316 2.677 0 40 BFAB CCO[C@H](C(=O)O)c1ccccc1Cl 159682605 NPDOXLWKFOPESV-VIFPVBQESA-N 214.648 2.502 0 40 BFAB CC(C)C(=O)c1cc(F)c(F)cc1F 168273144 VROJZTWOLQIHHB-UHFFFAOYSA-N 202.175 2.943 0 40 BFAB Cc1cccc2c1CCN2Cc1ccc(CO)o1 195556546 NGRHZXWRBITBBY-UHFFFAOYSA-N 243.306 2.643 0 40 BFAB CC1CCN(c2cccc(-n3ccnc3)n2)CC1 225522430 QPXDPFGMWVZQAN-UHFFFAOYSA-N 242.326 2.504 0 40 BFAB CC(C)c1ccnc(Br)c1C(=O)O 238171887 YGDYPLBFXWFUDK-UHFFFAOYSA-N 244.088 2.666 0 40 BFAB CC1(C)CCC[C@]2(C)C=C(C(=O)O)[C@H](O)C[C@H]12 252463638 LQZXAHKUYJVAAR-JTNHKYCSSA-N 238.327 2.595 0 40 BFAB biogenic,in-vitro CCC[C@H](O)[C@@H]1CCCN[C@H]1c1ccccc1 252486987 QQUXYJDNGLNLKL-KKUMJFAQSA-N 233.355 2.888 0 40 BFAB CC(C)c1noc(CN2CCC(=C3CC3)CC2)n1 575606395 JEKDPSIGPJTYJI-UHFFFAOYSA-N 247.342 2.879 0 40 BFAB CC[C@H](C)OCC(F)(F)C(F)(F)F 1083806275 CPPMIVVWEOFHKA-YFKPBYRVSA-N 206.154 2.999 0 40 BFAB CC(C)c1ncnc(N2CC[C@@H](CF)C2)c1F 2086918807 KFLBAWZNZZPECA-VIFPVBQESA-N 241.285 2.535 0 40 BFAB Cc1ccc(C)c(OC(=O)c2ccncc2)c1 338718 MMVMRVVLUMIUAF-UHFFFAOYSA-N 227.263 2.918 0 40 BFAB O=c1ccccn1Cc1c(F)cccc1Cl 540990 BDNSUUBNRLYWDN-UHFFFAOYSA-N 237.661 2.689 0 40 BFAB C[C@@H](Sc1ccccc1)C(=O)N1CCCC1 1570402 JMSFUSPWTBSARP-LLVKDONJSA-N 235.352 2.790 0 40 BFAB Oc1ccc2c(c1)CC[N+]1=C2CC[C@H]2CCC[C@H]21 1718902 AFZUMYMXNCDSQR-IAQYHMDHSA-O 242.342 2.712 0 40 BFAB in-man N[P@@](=O)(Oc1ccccc1)c1ccccc1 2045729 JQICXNMNFDJYTG-INIZCTEOSA-N 233.207 2.543 0 40 BFAB biogenic CC(C)(C)Oc1cccc(/C=C/C(=O)O)c1 2529956 BKZBGYVDUSGMKZ-BQYQJAHWSA-N 220.268 2.962 0 40 BFAB CC1=CC[C@H]2CO[C@H](c3ccc[n+](C)c3)[C@@H]1C2 4025329 QHCWCHOUDLMCMJ-BPLDGKMQSA-N 230.331 2.555 0 40 BFAB biogenic C[C@@]1(C(=O)O)CC[C@@H]2C(Br)=C[C@@]21C 4084486 XVYWNXXKUFDIRD-UASFKTIASA-N 245.116 2.786 0 40 BFAB Cc1cc(C(=O)N[C@@H](C)c2ccncc2)c(C)o1 7184176 OZIKOLJSKDIBLT-JTQLQIEISA-N 244.294 2.782 0 40 BFAB CCCCCC(=O)Nc1ccc(OC)cc1N 8703570 BYQKYBDZQUYABQ-UHFFFAOYSA-N 236.315 2.796 0 40 BFAB CC[C@@H](Nc1ccc(Cl)cc1)C(=O)O 8730615 CGGIPYHWUZWLJW-SECBINFHSA-N 213.664 2.615 0 40 BFAB Cc1sc2[nH]c(=S)nc(N)c2c1C 12505519 KCZSGPQKADVYRE-UHFFFAOYSA-N 211.315 2.553 0 40 BFAB O=C(Cc1ccc2ccccc2c1)NCC1CC1 12552411 MDITYNVHBVVDOW-UHFFFAOYSA-N 239.318 2.909 0 40 BFAB Cc1ccc(OC[C@@H]2CCCNC2)cc1C 19487086 NQBAWFIAPIHTFK-CYBMUJFWSA-N 219.328 2.682 0 40 BFAB CCC[C@@H](C)C(=O)Nc1ccc(F)c(N)c1 20157405 IBBFSGYFDNLWHC-MRVPVSSYSA-N 224.279 2.783 0 40 BFAB C[C@@H](N)[C@H]1C[C@@H]1c1c(F)cccc1Cl 20594444 CZKQSLLXAYNKFM-PRJMDXOYSA-N 213.683 2.930 0 40 BFAB Cc1cccnc1NC(=O)[C@H]1CC=CCC1 27650612 WTCQVHPBQOZBAK-NSHDSACASA-N 216.284 2.685 0 40 BFAB CCNCc1ccc(OCC(C)C)c(OC)c1 34652220 YOPYEWPCOWVCKX-UHFFFAOYSA-N 237.343 2.840 0 40 BFAB c1ccc(OCCOCC[C@@H]2CCCCN2)cc1 34972547 XUVFRPMCRJDHEL-AWEZNQCLSA-N 249.354 2.614 0 40 BFAB Cc1ccc(CCNCC(F)(F)F)cc1 37974005 HIDGBAQVRDBCCJ-UHFFFAOYSA-N 217.234 2.689 0 40 BFAB in-vitro COC(=O)c1cc(Cl)c(F)c(Cl)c1 47202324 TVBFNISLGKFSNX-UHFFFAOYSA-N 223.030 2.919 0 40 BFAB CCSc1ccc(NC(=O)C2CCC2)cn1 49478010 CZHMRMUNKVJAIG-UHFFFAOYSA-N 236.340 2.932 0 40 BFAB Cc1nc(COc2ccc(F)cc2Cl)no1 57685571 BLSOVTJMRVFBEA-UHFFFAOYSA-N 242.637 2.750 0 40 BFAB COc1cccc(-c2ccc(C(=O)O)c(C)n2)c1 62720829 XSNABCUMIJJVDX-UHFFFAOYSA-N 243.262 2.764 0 40 BFAB CCN(C)C(=O)c1sccc1C(C)C 65590404 LDCMTNJECDHUKR-UHFFFAOYSA-N 211.330 2.963 0 40 BFAB c1cncc(CN(C2CCCC2)C2CC2)c1 69618225 ZEJXXNHYHSMJBA-UHFFFAOYSA-N 216.328 2.989 0 40 BFAB c1ccc(CNc2nc(C3CC3)no2)cc1 71914141 TZTGBJUBVGOAMQ-UHFFFAOYSA-N 215.256 2.559 0 40 BFAB CCC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C 72208929 RKPIWBUCNARYMB-JTQLQIEISA-N 229.320 2.515 0 40 BFAB CCN1CCCC[C@H]1c1cccnc1C 72211305 TZBRNZPVMYGCCA-ZDUSSCGKSA-N 204.317 2.937 0 40 BFAB CCN1CCCC[C@@H]1c1cncc(C)c1 72211356 HXMMWBKVSLHTKL-CYBMUJFWSA-N 204.317 2.937 0 40 BFAB CNc1ncc(-c2cccc(Cl)c2)cn1 72221013 IRXOXFMUUHKEDC-UHFFFAOYSA-N 219.675 2.839 0 40 BFAB Cn1ccc(CNC(=O)c2cccc(Cl)c2)c1 74988768 BBBJWDBKHYVTKY-UHFFFAOYSA-N 248.713 2.609 0 40 BFAB Oc1c(F)ccc(Cl)c1Br 75882635 IIUGMPIVXXGABN-UHFFFAOYSA-N 225.444 2.947 0 40 BFAB CC(C)Oc1ccc(CO)c(Cl)c1 83225531 UYLAIVUNFDQQDA-UHFFFAOYSA-N 200.665 2.620 0 40 BFAB in-vitro C[C@H]1CCN(c2nc(C3CC3)no2)[C@H](C)C1 84697729 ZSHIWJNXTUWEIT-DTWKUNHWSA-N 221.304 2.572 0 40 BFAB CC(C)(C)c1ccc2c(c1)[C@H](CC(=O)O)CO2 84786100 CKJSRBCSUSLJRO-SECBINFHSA-N 234.295 2.935 0 40 BFAB CNC(=O)[C@@H]1C[C@H]1c1cccc2ccccc12 89385855 SMZXNEOIMHKSIC-UONOGXRCSA-N 225.291 2.689 0 40 BFAB CCC(CC)CNCC1(SC)CCOCC1 95434057 VQRSKPSWYFBPFS-UHFFFAOYSA-N 245.432 2.924 0 40 BFAB CCOC(=O)C[C@H]1CC(C)(C)OC1(C)C 95883935 IPVBSPQFHKAZPQ-VIFPVBQESA-N 214.305 2.533 0 40 BFAB in-vitro OCc1cc(F)c(Cl)c(C(F)(F)F)c1 96029423 RHSFATZQDCRCMD-UHFFFAOYSA-N 228.572 2.990 0 40 BFAB CC(C)Cn1cc(-c2cc(Cl)ncn2)cn1 96524143 IDLZJVANWYWVHS-UHFFFAOYSA-N 236.706 2.650 0 40 BFAB Cc1cc(C)c(C=O)c(OC[C@H]2CCCO2)c1 96526225 KIVMSIUNIFLQLZ-GFCCVEGCSA-N 234.295 2.674 0 40 BFAB CC(C)[C@@H](C(N)=O)c1cccc(Cl)c1 98018603 KCFIRTVHGGNWBN-SNVBAGLBSA-N 211.692 2.565 0 40 BFAB Cc1nccc(Sc2ccoc2C)n1 195566588 WTBBPBRRZSRMOG-UHFFFAOYSA-N 206.270 2.838 0 40 BFAB CCN1CCCCC[C@H]1[C@@H]1CCCC1=O 217464314 XXBZXXWRTLZNRL-RYUDHWBXSA-N 209.333 2.620 0 40 BFAB Cc1ccc(N2CCN[C@H]3CCC[C@H]32)cc1C 218844768 TVCLCARITZTDNE-LSDHHAIUSA-N 230.355 2.634 0 40 BFAB CCCCO[C@@H](Cc1ccc(F)cc1)C(=O)O 225055316 UAVYNJWDRUNIIY-LBPRGKRZSA-N 240.274 2.638 0 40 BFAB Cc1nccc([C@@H]2CCCN(CC3CCC3)C2)n1 257304626 SMKFSZWROWLMCD-CQSZACIVSA-N 245.370 2.765 0 40 BFAB Cc1cc(Br)n([C@H]2CCCCO2)n1 953052208 FWJFVRFANIEHHO-SECBINFHSA-N 245.120 2.653 0 40 BFAB CC(C)(C)O[C@@H]1C[C@@H](CC(=O)O)C1(C)C 1535542741 WEBFZAVQBZMIDG-DTWKUNHWSA-N 214.305 2.691 0 40 BFAB Cn1cnc(-c2ccc([C@H]3CCCCN3)cc2)c1 1857782839 KGMXIOPIOGKEIC-CQSZACIVSA-N 241.338 2.902 0 40 BFAB Cn1cnc(-c2cc(C(F)(F)F)ccc2F)n1 2362801770 SVSOKYORDOVELW-UHFFFAOYSA-N 245.179 2.640 0 40 BFAB O=C(Nc1ccncc1)OC1CCCC1 67695 NPOTUEJGZRQTOE-UHFFFAOYSA-N 206.245 2.573 0 40 BFAB CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CCCC2=O 481820 VLBIITJVZKIBAL-ZJUUUORDSA-N 239.315 2.508 0 40 BFAB CC[C@@H](CO)NCc1ccc(Cl)cc1Cl 576408 YFMRRLBEWOTNIY-JTQLQIEISA-N 248.153 2.854 0 40 BFAB CC1(C)CCC(c2ccc(F)cc2)=[N+]1[O-] 1396700 AIOZECUNBHKILD-UHFFFAOYSA-N 207.248 2.698 0 40 BFAB CN(CCCCCCN)C1CCCCC1 4226803 CBTZXACYQMQGFC-UHFFFAOYSA-N 212.381 2.770 0 40 BFAB C[C@@H]1CCCCN1[C@H](C(=O)O)c1ccccc1 4294708 PIIALDQBBNGPDU-YPMHNXCESA-N 233.311 2.687 0 40 BFAB C[C@@H]1CC(=O)Nc2cc(C(F)(F)F)ccc2N1 5486896 AJZJMHJZZHQCMP-ZCFIWIBFSA-N 244.216 2.848 0 40 BFAB CC(C)[C@H]1NN=C(c2ccccc2)S1 5727417 MBUIZBWTHRXRTL-JTQLQIEISA-N 206.314 2.667 0 40 BFAB C1=[N+]2CCC[C@H]2Cc2ccc3ccccc3c21 6584115 RKGLZZKEXCGZHN-AWEZNQCLSA-N 222.311 2.990 0 40 BFAB Cc1cc(C)c2nc(C)c(CN(C)C)c(O)c2c1 8663745 IIAAJVNWPVIVMY-UHFFFAOYSA-N 244.338 2.927 0 40 BFAB Cc1ccc(OC[C@H]2CCCCN2)cc1 12137812 GZFNPIWUACLBJW-GFCCVEGCSA-N 205.301 2.516 0 40 BFAB COC(=O)c1ccc(Oc2ccccn2)cc1 12370381 MTZVYWMZXMQCKF-UHFFFAOYSA-N 229.235 2.661 0 40 BFAB CC[C@H](C)C(=O)Nc1cc(C)ccc1OC 12553474 IIXRVDVDZFZKGL-JTQLQIEISA-N 221.300 2.988 0 40 BFAB C[C@@H](NC(=O)C1CCC1)c1ccc(F)cc1 12913550 UKFDGECPWLOQLX-SECBINFHSA-N 221.275 2.803 0 40 BFAB Nc1cccc(Cl)c1OC[C@@H]1CCCCO1 14629223 LQSKRGNJICEUBA-VIFPVBQESA-N 241.718 2.870 0 40 BFAB O=C1CCN(Cc2ccccc2Cl)CC1 19471919 KFEWRNNUYYDFIO-UHFFFAOYSA-N 223.703 2.505 0 40 BFAB in-vitro CCCCCNC1CCN(C(C)C)CC1 19901254 FRNWUSIBYNRCIL-UHFFFAOYSA-N 212.381 2.639 0 40 BFAB COc1ccc([C@@H](C)NC[C@H]2CCCO2)cc1 19963606 NICCLSBWWUDBHY-BXUZGUMPSA-N 235.327 2.525 0 40 BFAB C[C@H]1CCC[C@@H](NC(=O)Cc2ccccc2N)C1 20155733 CHHGVEURRGZHLA-WCQYABFASA-N 246.354 2.506 0 40 BFAB Cc1cccc(N[C@@H](C)C(=O)NCC(C)C)c1 20312495 IVJPADYYZFCBLQ-LBPRGKRZSA-N 234.343 2.568 0 40 BFAB N[C@H]1CCCCC[C@H]1Oc1ccccc1 22563172 ZOOQMKJGGAZGLQ-QWHCGFSZSA-N 205.301 2.725 0 40 BFAB O=C(c1ccc(F)c(F)c1F)N1CCCCC1 28210626 VZULDMYZEBNBJG-UHFFFAOYSA-N 243.228 2.730 0 40 BFAB CCCCCCOC(=O)C1=C(NC)CCC1 31749170 SEUDRSFIMQYUCJ-UHFFFAOYSA-N 225.332 2.767 0 40 BFAB Cc1ccc(CN(C)C(=O)[C@H]2C[C@H]2C)c(C)c1 32748066 ARDGEESIKJTUTN-OCCSQVGLSA-N 231.339 2.918 0 40 BFAB CSCC(=O)Nc1cc(C)cc(C)c1 33002143 KIHXGPATTOFKEB-UHFFFAOYSA-N 209.314 2.605 0 40 BFAB CCCCS(=O)(=O)/C=C\c1ccccc1 33347865 MIVYUWYOOIZUCC-LUAWRHEFSA-N 224.325 2.872 0 40 BFAB CCc1cccc(-c2csc(=N)[nH]2)c1 34376681 ORLWLAIIAJLSRP-UHFFFAOYSA-N 204.298 2.785 0 40 BFAB O[C@@H](c1ccccc1Cl)C(F)(F)F 34381090 HCCWDTPILJKWCQ-ZETCQYMHSA-N 210.582 2.936 0 40 BFAB in-vitro Cc1ccc([C@@](C)(C(=O)O)N2CCCCC2)cc1 37361816 VJBRIXRRSBRJSI-HNNXBMFYSA-N 247.338 2.781 0 40 BFAB CCOC(=O)/C=C/c1ccc(C)c(C)c1 39283065 ADRUWJVOVDGHFD-BQYQJAHWSA-N 204.269 2.880 0 40 BFAB COc1ccc([C@@H](O)c2ccoc2)c(C)c1 40246253 VSBOPAJZEMGVRB-ZDUSSCGKSA-N 218.252 2.678 0 40 BFAB CCCc1ccc([C@@H](O)Cn2ccnc2)cc1 41256306 SBMMRMXIJVRSQU-AWEZNQCLSA-N 230.311 2.569 0 40 BFAB c1cncc(Oc2cnc3ccccc3n2)c1 41872973 YXHXPLGJLBACLT-UHFFFAOYSA-N 223.235 2.817 0 40 BFAB C[C@@H](C1CC1)N(C)C(=O)[C@H]1CC=CCC1 58313133 HVHNZKUDCBNHIA-JQWIXIFHSA-N 207.317 2.600 0 40 BFAB Nc1nc(-c2ccc(-n3cccn3)cc2)cs1 62152054 BMBOADCUJCZNQE-UHFFFAOYSA-N 242.307 2.578 0 40 BFAB in-vitro COc1ccccc1/C(C)=C/C(=O)NC(C)C 66589595 AJWXGCULTFGOKP-PKNBQFBNSA-N 233.311 2.623 0 40 BFAB CCc1noc(-c2ccc(N)c(Cl)c2)n1 70602044 AQYZXBKKFJDHJI-UHFFFAOYSA-N 223.663 2.535 0 40 BFAB in-vitro COc1ccc([C@H]2CCCN2CC(C)C)cn1 72211668 WVUHJHBZFIDQHW-CYBMUJFWSA-N 234.343 2.883 0 40 BFAB CCCN1CCCC[C@@H]1c1ccc(N)nc1C 72218578 CHFIARZGABTOLV-CYBMUJFWSA-N 233.359 2.909 0 40 BFAB COC(=O)c1ccc(SC(C)(C)C)nc1 72225737 RAWBTESGQWCTJR-UHFFFAOYSA-N 225.313 2.759 0 40 BFAB COC1(CN)CCC(c2ccccc2)CC1 85099773 QTAFPTDZNGIUAJ-UHFFFAOYSA-N 219.328 2.688 0 40 BFAB c1ccc2oc(CNc3nncs3)cc2c1 95976635 KDDXZQOAALWCNV-UHFFFAOYSA-N 231.280 2.896 0 40 BFAB CC1(C)[C@H]2CC[C@@]1(C)C(=O)[C@@H]2Nc1ccccn1 102918584 AJUNTFPBSOPTHR-NVBFEUDRSA-N 244.338 2.887 0 40 BFAB Cc1oncc1CN1CCC(C(F)(F)F)CC1 128746985 XCLDZSABQJKFQL-UHFFFAOYSA-N 248.248 2.757 0 40 BFAB C[C@@H](Nc1cnn(C)c1)c1nc2ccccc2o1 186167023 CXLWREJOULHYOI-SECBINFHSA-N 242.282 2.734 0 40 BFAB Cc1cc(NCCCN)c2cccc(Cl)c2n1 222687249 DOMDHGXJKBLGLR-UHFFFAOYSA-N 249.745 2.957 0 40 BFAB CCCN(c1ccccc1)[C@@H](CC)C(=O)O 224980512 MCAOLEIRXFDFEK-LBPRGKRZSA-N 221.300 2.766 0 40 BFAB Cc1ccc([C@H](O)c2cccc(N)c2C)cc1 226291743 PZFCVDLJFYMXQR-HNNXBMFYSA-N 227.307 2.967 0 40 BFAB COC(=O)c1cc(C)cc(F)c1Cl 306755098 NBZOAYYGISZOPF-UHFFFAOYSA-N 202.612 2.574 0 40 BFAB Cc1c(F)ccc(Br)c1C=O 306825864 YFJFZMXPDJYBOR-UHFFFAOYSA-N 217.037 2.709 0 40 BFAB COc1ccc(C(=S)NCc2ccco2)cc1 408572374 GNSFDEYERTVVRU-UHFFFAOYSA-N 247.319 2.754 0 40 BFAB COC(=O)c1ccc2cnccc2c1Cl 1911531510 IPYOPTYZUPYCBA-UHFFFAOYSA-N 221.643 2.675 0 40 BFAB NOc1cc(C(F)(F)F)ccc1Cl 2362797540 YYDIKFUZEVKRFK-UHFFFAOYSA-N 211.570 2.611 0 40 BFAB CCC[C@H](C)NC(=O)c1ccccc1F 30366 SHPVQOPBVAIDJD-VIFPVBQESA-N 209.264 2.744 0 40 BFAB COc1ccc(COC(=O)CC(C)C)cc1 1664958 LOGIKTHBNCEEST-UHFFFAOYSA-N 222.284 2.785 0 40 BFAB O=C1N[C@]2(c3ccccc3)CCCC[C@H]2O1 1712354 HAISAGDXNSXABB-YPMHNXCESA-N 217.268 2.564 0 40 BFAB NC(=S)Cc1cccc2ccccc12 1849792 FUDCGMJJFOGQFO-UHFFFAOYSA-N 201.294 2.668 0 40 BFAB N[C@@H](Cc1ccccc1)c1ccc2c(c1)OCO2 3638064 XXUGGVBVWGFUDI-ZDUSSCGKSA-N 241.290 2.658 0 40 BFAB Cc1ccc([C@H]2SCC(=O)N2C2CC2)cc1 4218587 ODMVLVQZMXVTBG-CYBMUJFWSA-N 233.336 2.731 0 40 BFAB COc1ccc(Br)c(CN(C)C)c1 4235232 KMYPJJLCQWNEKN-UHFFFAOYSA-N 244.132 2.519 0 40 BFAB in-vitro CC(C)=C1N=C(c2cccc(Cl)c2)OC1=O 5001130 USUUZQVXEWGWDR-UHFFFAOYSA-N 235.670 2.937 0 40 BFAB CC[C@H](C)C(=O)Nc1ccc(F)cc1F 5665474 SSIOGBOBGCTNPI-ZETCQYMHSA-N 213.227 2.949 0 40 BFAB C[C@@]12CCCC[C@@H]1C(=O)C2(Cl)Cl 5813300 STZDLDHQOXCLNP-HTRCEHHLSA-N 207.100 2.940 0 40 BFAB CCCNC(=O)[C@H](CC)Oc1ccc(C)cc1 8041521 SRXDQHJLSHVHTH-ZDUSSCGKSA-N 235.327 2.679 0 40 BFAB O=C(c1ccncc1)N1CC[C@@H]2CCCC[C@H]2C1 8428388 OIVIFBSWWZLRPS-JSGCOSHPSA-N 244.338 2.734 0 40 BFAB CCN(c1ccccc1)c1ncnc2[nH]cnc12 8581245 ONSHRLMVKPIUCV-UHFFFAOYSA-N 239.282 2.511 0 40 BFAB O=C(OC[C@H]1CCCO1)c1ccc(Cl)cc1 8602902 UUMZJIAEAMIRGA-LLVKDONJSA-N 240.686 2.676 0 40 BFAB O[C@]1(Cc2ccccn2)CCCc2ccccc21 8628713 SHIGBEQKJJOLFP-INIZCTEOSA-N 239.318 2.848 0 40 BFAB CCC(CC)C(=O)Nc1ccccc1N 8703394 SYZBDSZQOCDKRG-UHFFFAOYSA-N 206.289 2.644 0 40 BFAB O=C(CC1CCCC1)Nc1ccccc1O 8723334 LXWDERAOQWVQSE-UHFFFAOYSA-N 219.284 2.911 0 40 BFAB Cc1cc(C)c2c(NCc3ccco3)n[nH]c2n1 12154375 LPNJYGGNCBNVEX-UHFFFAOYSA-N 242.282 2.780 0 40 BFAB NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2 19817742 LWNFUFSIVPUPKJ-NSHDSACASA-N 244.363 2.874 0 40 BFAB in-vitro CCc1nc2scc(-c3ccco3)c2c(=O)[nH]1 20346201 AWWSZDJSDIXPNB-UHFFFAOYSA-N 246.291 2.807 0 40 BFAB CCCc1ccc(C(=O)CC(=O)OCC)cc1 20475440 GCLAZKVKTSKCEG-UHFFFAOYSA-N 234.295 2.775 0 40 BFAB O=C(CCc1ccco1)Nc1ccccc1O 23074515 DLUAEUHHADONBK-UHFFFAOYSA-N 231.251 2.557 0 40 BFAB Cc1ccc([C@@H](C)NC(=O)c2ccco2)o1 23305520 HANJPEGTTPTQKU-SECBINFHSA-N 219.240 2.672 0 40 BFAB COC(=O)c1ccc(NC(=O)C2CCC2)c(C)c1 30933483 FYOBQROVYIVMJF-UHFFFAOYSA-N 247.294 2.520 0 40 BFAB Cc1ccc(NC(=O)[C@@H]2C[C@H]2C)c(F)c1 32960652 UVQQBXXBCAUDRX-RKDXNWHRSA-N 207.248 2.729 0 40 BFAB COc1cccc2c(Cl)nc(C)nc12 34451872 NVOQXCVZNXOFMM-UHFFFAOYSA-N 208.648 2.600 0 40 BFAB O=C1CCC(c2ccc(C(=O)O)cc2)CC1 34727223 CXQFXVZUJFYVHS-UHFFFAOYSA-N 218.252 2.612 0 40 BFAB CCCCOc1ccc([C@@H](C)O)cc1OC 35626469 HHSCQQTUFACRQG-SNVBAGLBSA-N 224.300 2.927 0 40 BFAB O=c1cc(-c2ccc(O)cc2)oc2ncccc12 35962971 PFUPOMZTYDYNTE-UHFFFAOYSA-N 239.230 2.561 0 40 BFAB CCc1ccc(Oc2ncccn2)cc1 36396300 WIGXORDOQZMFBD-UHFFFAOYSA-N 200.241 2.831 0 40 BFAB CCCN[C@@H](C)Cc1ccccc1OC 37184372 TZESRJZYXHLWCX-NSHDSACASA-N 207.317 2.626 0 40 BFAB Fc1ccc(F)c(CNc2cccnc2)c1 37228236 OKQCCKMAASQZDO-UHFFFAOYSA-N 220.222 2.972 0 40 BFAB CCOC(=O)c1ncc(Cl)cc1Cl 47202783 GDANWGXDANXYNZ-UHFFFAOYSA-N 220.055 2.565 0 40 BFAB Cn1ncc2c1N=C(O)C[C@H]2c1ccsc1 49544379 LZXVTAFQXZTTLW-QMMMGPOBSA-N 233.296 2.605 0 40 BFAB Cc1ccc(N(C)C(C)C)c(C(=O)O)c1 52982192 FLHLMNOUCGTSDJ-UHFFFAOYSA-N 207.273 2.538 0 40 BFAB in-vitro C/C=C/C=C/C(=O)Nc1ccc2c(c1)CCN2 63188022 WLTZTOBHELMHCF-MQQKCMAXSA-N 228.295 2.725 0 40 BFAB CNC(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1 71915454 WSSNZDYNJDYHRX-MRVPVSSYSA-N 245.244 2.630 0 40 BFAB Cc1cc(N)ncc1[C@@H]1CCCCN1C(C)C 72218520 LTWMTCDRWKGYOI-ZDUSSCGKSA-N 233.359 2.908 0 40 BFAB C(=C/c1nc(C2CC2)no1)\c1ccco1 72274917 PDBMKXDOAMBPSJ-AATRIKPKSA-N 202.213 2.710 0 40 BFAB CCSc1nnc(C2CC2)n1Cc1ccco1 72738397 LKWAYWFEJUBXLH-UHFFFAOYSA-N 249.339 2.909 0 40 BFAB O=C1CCCc2c1cnn2-c1cc(F)ccc1F 82823938 NAYYUYAFCTXJFV-UHFFFAOYSA-N 248.232 2.670 0 40 BFAB Cc1ccc(CCOC(=O)C2CCOCC2)cc1 84148813 FYYGWLILIOYZID-UHFFFAOYSA-N 248.322 2.507 0 40 BFAB CCCCC[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C 84743004 RTBNEYLNLMZKIM-QWHCGFSZSA-N 242.407 2.658 0 40 BFAB COCOc1cc(F)cc(Br)c1 88138769 FKGZBHJTLGPNSS-UHFFFAOYSA-N 235.052 2.571 0 40 BFAB O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1CC1 89800343 BFPUNGFJNYMMQE-UHFFFAOYSA-N 240.306 2.503 0 40 BFAB C1C[C@H]2CN(c3nc(C4CC4)ns3)C[C@@H]2C1 89817889 BOWWEOJEOKNNMM-UWVGGRQHSA-N 235.356 2.652 0 40 BFAB COC(=O)C[C@H](C)CC(=O)c1cccc(F)c1 95728772 UBVMPZTZIOBRRH-SECBINFHSA-N 238.258 2.598 0 40 BFAB Cc1[nH]c2ncc(Br)cc2c1C 95836963 BWVALHHPIDZABX-UHFFFAOYSA-N 225.089 2.942 0 40 BFAB c1sc([C@@H]2CCOC2)nc1C1CCOCC1 96490185 GKICGKTYXMZRQK-SNVBAGLBSA-N 239.340 2.541 0 40 BFAB O=C(O)[C@H]1CC[C@@H](C(=O)c2ccccc2)CC1 100329744 IQSXTPDJHKVQAF-HAQNSBGRSA-N 232.279 2.760 0 40 BFAB Cc1ccc(N[C@@H]2CCCC[C@@H]2N)cc1 140360892 VCMDKOFTBSJQHR-QWHCGFSZSA-N 204.317 2.677 0 40 BFAB CC[C@H](C)C(=O)c1cccc(N(C)C)c1 161458371 JHSYAXSSULPXAQ-JTQLQIEISA-N 205.301 2.981 0 40 BFAB CO[C@H](Cc1ccc(Cl)cc1Cl)C(=O)O 214298280 AJQDTACVMHCUEW-SECBINFHSA-N 249.093 2.636 0 40 BFAB C[C@H](c1ccccc1)N1CCN[C@@H]2CCC[C@H]21 218850211 GLGPYQCXXCTFDK-BPLDGKMQSA-N 230.355 2.574 0 40 BFAB CC[C@H](C(=O)O)N(CC)c1c(C)cccc1C 224983486 SNINIKHOZKWTEM-GFCCVEGCSA-N 235.327 2.993 0 40 BFAB CCOC(=O)c1cc(C)cc(F)c1Cl 306931554 CUXZHULJMJGROO-UHFFFAOYSA-N 216.639 2.964 0 40 BFAB Fc1ccc(CN[C@@H]2CCC[C@@H]2F)c(F)c1 378825292 HGQNTYXSZPBTPL-CMPLNLGQSA-N 229.245 2.945 0 40 BFAB CCC(C)(C)CN[C@H]1CSC1(C)C 379371297 SOVKCCWMDOIFGD-VIFPVBQESA-N 201.379 2.906 0 40 BFAB CCOc1cnc2ccc(C)cc2c1C(=O)O 685936853 CLSITEJEUFNRKN-UHFFFAOYSA-N 231.251 2.640 0 40 BFAB COc1cc(C=O)cc(Cl)c1OC(F)F 2641181 RVOXHQRAIULOAJ-UHFFFAOYSA-N 236.601 2.763 0 40 BFAB OCCC12C[C@@H]3CC(C[C@@H](C3)C1)C2(F)F 3123711 GGYDDDKXDCTMPZ-IXBNRNDTSA-N 216.271 2.830 0 40 BFAB C[C@H](Sc1cccc(C(F)(F)F)c1)C(N)=O 3413117 JQAOHLPBSFGBQY-LURJTMIESA-N 249.257 2.671 0 40 BFAB CCCCN[C@@H]1[C@H]2CC[C@@](C)([C@@H]1O)C2(C)C 4726530 RCCQWTLKSKHQCZ-BYNQJWBRSA-N 225.376 2.562 0 40 BFAB CC(=O)N[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1c1ccccc1 4769262 MNUMESDXWPVHHF-LJISPDSOSA-N 229.323 2.705 0 40 BFAB Cc1ccc(OC[C@@H]2CO2)c(Br)c1 5707220 DAQKAYNUNRPQFT-QMMMGPOBSA-N 243.100 2.535 0 40 BFAB COc1ccc(CC[C@@H]2CCCCN2)cc1OC 8493686 NJKFNSIPOHFUJK-ZDUSSCGKSA-N 249.354 2.779 0 40 BFAB Cc1ccc(CNC(=O)/C=C/c2ccccc2)o1 9434639 GCIPCUMHCBILAX-CSKARUKUSA-N 241.290 2.918 0 40 BFAB C[C@@H](N)c1ncc(-c2ccc(F)cc2)o1 11587063 RKQGJMPPTDSKJB-SSDOTTSWSA-N 206.220 2.500 0 40 BFAB in-vitro CC(C)c1csc([C@@H]2CCCNC2)n1 11632023 KOJUTHALZHVPGR-SECBINFHSA-N 210.346 2.734 0 40 BFAB in-vitro CCCC(=O)NCc1cccc(Cl)c1 13328036 BGTCYXNSTQXCMM-UHFFFAOYSA-N 211.692 2.756 0 40 BFAB ON(CCc1ccncc1)Cc1ccccc1 15886684 DAZQDSHWDALZKB-UHFFFAOYSA-N 228.295 2.516 0 40 BFAB in-vitro Cc1cccc(O[C@@H]2CCCC[C@H]2N)c1 19384729 DFOCZGSNKRHCGJ-CHWSQXEVSA-N 205.301 2.644 0 40 BFAB in-vitro CC[C@H](C)NC[C@@H](C)Oc1ccccc1OC 19738542 PPVGEGCKQVFECF-NWDGAFQWSA-N 237.343 2.851 0 40 BFAB CC(=O)Cc1c[nH]c2cccc(Cl)c12 20269419 WSYHNOXYCJXCPD-UHFFFAOYSA-N 207.660 2.953 0 40 BFAB C[C@@H]1CCCN(C(=O)C[C@H]2C=CCC2)C1 32747699 PDQUUMDIZMXOOE-NEPJUHHUSA-N 207.317 2.601 0 40 BFAB CC1CCC(N(C)C(=O)c2ccoc2)CC1 32845414 NXODQYWTOLUFJK-UHFFFAOYSA-N 221.300 2.930 0 40 BFAB CC(C)n1c(=O)[nH]c2cc(Cl)ccc21 34520656 CHPSDNSPOGWYMN-UHFFFAOYSA-N 210.664 2.564 0 40 BFAB Cc1cccc(-c2c(C(F)(F)F)n[nH]c2N)c1 41284610 XOIZHPANLXAXOO-UHFFFAOYSA-N 241.216 2.986 0 40 BFAB O=C(c1ccc(F)cc1)[C@H]1CCC[C@H]1C(=O)O 43879031 NHQQJKKAHSUBRB-WDEREUQCSA-N 236.242 2.509 0 40 BFAB CCOC(=O)c1ccc(-c2ncccc2C)o1 45028405 KMKNEXVFJQBPCB-UHFFFAOYSA-N 231.251 2.827 0 40 BFAB Cc1ccc(CNC(=O)c2ccc(C)s2)cn1 47557403 MDZQKOSGXOJNOP-UHFFFAOYSA-N 246.335 2.690 0 40 BFAB CN(C(=O)Cc1ccsc1)C1CCCC1 55483326 KXBIGUOKGQXEKN-UHFFFAOYSA-N 223.341 2.692 0 40 BFAB COc1ccccc1[C@H]1CCC[C@@H](C)N1 70632598 YOHJTVXQVSRDOF-ZYHUDNBSSA-N 205.301 2.898 0 40 BFAB in-vitro CCCn1c(CO)nc2cccc(Cl)c21 82584716 ZHPGFNBUKYXNIM-UHFFFAOYSA-N 224.691 2.592 0 40 BFAB O=C(O)[C@H]1CCCN(c2ccccc2Cl)C1 82714057 SDYAQCXDLLKIIH-VIFPVBQESA-N 239.702 2.641 0 40 BFAB CCCC[C@@H](CC)C(=O)CC1OCCO1 85652315 PPQATRSRSKGKMI-SNVBAGLBSA-N 214.305 2.535 0 40 BFAB O=C(NC1CC1)N[C@H](c1ccc(F)cc1)C1CC1 89782808 GNTHUFORHKLHLX-ZDUSSCGKSA-N 248.301 2.738 0 40 BFAB Cc1cccc(C(=O)CCCC(=O)O)c1C 95634231 BKTUIEOSDIUSHW-UHFFFAOYSA-N 220.268 2.741 0 40 BFAB CO[C@@H]1CCCC[C@@H]1OC(=O)C1CCCC1 97404916 RMNIRHDUCYXNFX-NEPJUHHUSA-N 226.316 2.677 0 40 BFAB C[C@H](N)c1ccc(F)c(F)c1Br 216941443 HQZCRBKPCBMDBV-BYPYZUCNSA-N 236.059 2.747 0 40 BFAB CCCCO[C@H](Cc1ccc(F)cc1)C(=O)O 225055355 UAVYNJWDRUNIIY-GFCCVEGCSA-N 240.274 2.638 0 40 BFAB Fc1ccc(N2N=C[C@@H]3C=CCC[C@@H]32)cc1 242522437 ISXYTOHIZSYXKU-GWCFXTLKSA-N 216.259 2.966 0 40 BFAB CCN(c1ccccc1Cl)[C@H](C)C(=O)O 260679443 NFLQILVQLNBNSR-MRVPVSSYSA-N 227.691 2.639 0 40 BFAB C[S@](=N)(=O)c1ccc(C(F)(F)F)cc1 1772641055 RNDPTKUTNWFVSX-AWEZNQCLSA-N 223.219 2.741 0 40 BFAB c1ccc2cc(CC3OCCO3)ccc2c1 2387696 HRWJWMQNHNCUBX-UHFFFAOYSA-N 214.264 2.755 0 40 BFAB O=Cc1nc(-c2ccccc2)oc1Cl 3844536 SGGNPXOWWKFBAQ-UHFFFAOYSA-N 207.616 2.808 0 40 BFAB biogenic O=C(C[C@@H](O)c1ccccc1)Oc1ccccc1 3852312 JBYRIOSEKUJPBN-CQSZACIVSA-N 242.274 2.716 0 40 BFAB biogenic Cc1nnc2n1N=CC=C(c1ccccc1)S2 4361874 ZGVXJJALYIPQSE-UHFFFAOYSA-N 242.307 2.567 0 40 BFAB CCOP(=O)(OCC)N1[C@H](C)C1(C)C 5084925 HWETUXAWLWABHW-HNHGDDPOSA-N 221.237 2.650 0 40 BFAB Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)O 6508870 APCNWLLTSMAPOL-SNAWJCMRSA-N 242.706 2.599 0 40 BFAB O=C(N[C@@H]1CCOc2ccccc21)C1CCCC1 6542632 SOEAYADLXRXWBO-CYBMUJFWSA-N 245.322 2.817 0 40 BFAB CC(C)c1cc(CSCCC(=O)O)on1 12398786 XYKWDAPBPQYIKA-UHFFFAOYSA-N 229.301 2.506 0 40 BFAB Nc1nc2ccccc2n1-c1ccccc1 13782609 LUEQIDSEGWXUMD-UHFFFAOYSA-N 209.252 2.608 0 40 BFAB in-vitro CCNC(=O)Nc1ncc(Cl)cc1Cl 16681699 ZXAVNRYTPPUXEN-UHFFFAOYSA-N 234.086 2.530 0 40 BFAB O=C1CCN(C2(c3ccc(Cl)cc3)CC2)CC1 19332797 QQQAXACNMHRDLO-UHFFFAOYSA-N 249.741 2.994 0 40 BFAB C[C@@H](NCc1ccccc1)c1ccccn1 19899500 XYRJHZVSLCNHPW-GFCCVEGCSA-N 212.296 2.932 0 40 BFAB in-vitro C[C@H]1CN(c2ccc(Cl)cc2N)C[C@H](C)O1 20284887 VGTBDTRAZIEEKB-IUCAKERBSA-N 240.734 2.536 0 40 BFAB COCCn1c(-c2ccccc2)cnc1Cl 22126253 FSUWZVCIBUACIC-UHFFFAOYSA-N 236.702 2.850 0 40 BFAB COc1cc(Br)c2oc(C)nc2c1 22995912 DGVBUFVVDHHJTP-UHFFFAOYSA-N 242.072 2.907 0 40 BFAB in-vitro CCc1nn(Cc2ccccc2)c(N)c1CC 26512145 ATSDUKJJDMRBKK-UHFFFAOYSA-N 229.327 2.638 0 40 BFAB Fc1ccccc1COCC[C@@H]1CCCCN1 28522153 OLTAJZYBJSSXTF-ZDUSSCGKSA-N 237.318 2.875 0 40 BFAB O=C(Nc1ccc2ccccc2n1)C1CC1 32731989 YHMUXXWZWDQKMK-UHFFFAOYSA-N 212.252 2.583 0 40 BFAB COc1cc([C@@H](C)O)ccc1OCC(C)C 35626465 FNVOPQCJBPYOAQ-SNVBAGLBSA-N 224.300 2.783 0 40 BFAB COc1ccc(C)cc1N[C@@H](C)c1nc(C)no1 36396768 ULSBFMBHOKKTOF-VIFPVBQESA-N 247.298 2.868 0 40 BFAB CCN(CCCNC(=O)C(C)C)c1ccccc1 40017227 OBUZOJBBBSRETJ-UHFFFAOYSA-N 248.370 2.675 0 40 BFAB CC[C@H](C)c1ccccc1OC1CNC1 42769891 UHSBAZQKWZBWQS-JTQLQIEISA-N 205.301 2.551 0 40 BFAB CCc1ccccc1-c1nc(CN)cs1 52201441 PYQJJEJQIQQDDE-UHFFFAOYSA-N 218.325 2.831 0 40 BFAB CNC[C@@H]1C[C@H]1c1cccc(Br)c1 54588628 ROLXHRUBVTTXBY-ONGXEEELSA-N 240.144 2.772 0 40 BFAB CCN(CC)Cc1nc(-c2ccsc2)no1 58049888 NBDFRBDLHJMTHM-UHFFFAOYSA-N 237.328 2.640 0 40 BFAB CCCCCC(=O)Nc1ncc(C(C)=O)s1 71911367 KNPRMHJMFDXYTC-UHFFFAOYSA-N 240.328 2.865 0 40 BFAB CN1CCCC[C@H]1c1cccnc1Cl 72211512 LHFDZNFXIBNCDY-JTQLQIEISA-N 210.708 2.892 0 40 BFAB Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1 75772223 HZRKIQZSTBBORH-SNVBAGLBSA-N 241.766 2.925 0 40 BFAB in-vitro COC(C)(C)c1noc([C@@H]2CC=CCC2)n1 89775567 KVWUSBCOUCYRSS-SECBINFHSA-N 222.288 2.775 0 40 BFAB Nc1ccc([C@H]2C[C@@H]2C(F)(F)F)cc1 95628909 QFLSUYZZQRPEQH-BDAKNGLRSA-N 201.191 2.935 0 40 BFAB CCCCOc1cc(CCO)cc(F)c1F 95732004 UKQGUOPFHAIKKB-UHFFFAOYSA-N 230.254 2.679 0 40 BFAB O=C1Nc2ccccc2C(=O)[C@@H]1c1ccccc1 100931180 IPYIJVQAAGLSKC-ZDUSSCGKSA-N 237.258 2.605 0 40 BFAB C[C@@H](C(=O)Nc1ccccc1)n1cccc1 108657865 DEYPYRIMJLZUJK-NSHDSACASA-N 214.268 2.688 0 40 BFAB O[C@@H]1CCc2c1ccc(F)c2Br 217946558 VNHCTVQRWNANTI-MRVPVSSYSA-N 231.064 2.568 0 40 BFAB Cc1ccc(C[C@@H](OCC(C)C)C(=O)O)cc1 220687040 SHACTXFBFXPGBP-CYBMUJFWSA-N 236.311 2.663 0 40 BFAB CCCNc1cc(C)nc(-c2cccc(N)c2)n1 226103212 COEIFTOTPIAAML-UHFFFAOYSA-N 242.326 2.856 0 40 BFAB CC(C)c1nc2ccccc2c(C(=O)O)c1O 257197545 CLDVHOOMSIPBBV-UHFFFAOYSA-N 231.251 2.762 0 40 BFAB C[C@H](CC(=O)O)n1cc(Cl)c(C(F)F)n1 408716490 NOYMIEHVWOBWPV-SCSAIBSYSA-N 238.621 2.510 0 40 BFAB c1cc[n+](Cc2ccc3ccccc3n2)cc1 41806 IWRPAZRZBADOKM-UHFFFAOYSA-N 221.283 2.571 0 40 BFAB Cc1cccc(C(=O)[C@H]2CCC[C@H]2C(=O)O)c1C 2245622 FQEGSIOKFYJWIQ-QWHCGFSZSA-N 246.306 2.987 0 40 BFAB Cc1ccc(F)c2c(CCCN)c[nH]c12 3698489 GIUMQPXWZGKZOI-UHFFFAOYSA-N 206.264 2.507 0 40 BFAB C[C@H](Oc1ccccc1)C(=O)Nc1nccs1 4731385 QPRUFYKSDXNYSO-VIFPVBQESA-N 248.307 2.549 0 40 BFAB Cc1cc(O)ncc1-c1ccc(C(=O)O)s1 8764100 AKZNPAVLCGFBSF-UHFFFAOYSA-N 235.264 2.522 0 40 BFAB Cc1cccc(NC(=O)Cc2cccc(F)c2)n1 12539168 MBHVDFDHTJKHNE-UHFFFAOYSA-N 244.269 2.710 0 40 BFAB CC[C@H](C)NC(=O)c1cc2cc(F)ccc2[nH]1 13003352 WGGPCXMDGOWDJU-QMMMGPOBSA-N 234.274 2.835 0 40 BFAB CCCCC(=O)c1ccc2c(c1)OCCO2 15081226 RZQOAKAMCIPWEC-UHFFFAOYSA-N 220.268 2.831 0 40 BFAB C[C@H]1c2cccc(C(=O)N3CCCC3)c2O[C@@H]1C 32820037 AQICUQZJCACHLG-GHMZBOCLSA-N 245.322 2.807 0 40 BFAB C[C@H](O)CN[C@H]1CCCC[C@@H]1C(C)(C)C 35112519 JTAJUVKDCWLJQJ-SRVKXCTJSA-N 213.365 2.562 0 40 BFAB O=C1CCC(N2CCc3ccccc3C2)CC1 39120335 BYRHPLCFXPSWTK-UHFFFAOYSA-N 229.323 2.556 0 40 BFAB Fc1ccc(OCC[C@H]2CCCNC2)cc1F 42773527 JQHLKGONRPBHNR-SNVBAGLBSA-N 241.281 2.733 0 40 BFAB Cc1cccc(C)c1C(=O)[C@@H]1CCC[C@H]1C(=O)O 43879205 YJKRDFOFRNIAIY-VXGBXAGGSA-N 246.306 2.987 0 40 BFAB CC(C)C[C@@H](C)N(C)C(=O)NCc1ccco1 44917371 QNDIVQWQRLFNMR-LLVKDONJSA-N 238.331 2.856 0 40 BFAB CN(C(=O)C1CC1)[C@H]1CCCc2ccccc21 45294082 QGVJSNLNIWWYNQ-AWEZNQCLSA-N 229.323 2.932 0 40 BFAB CC(C)Sc1nncn1-c1ccccc1 65577476 QLZAVHZSQCYRCM-UHFFFAOYSA-N 219.313 2.768 0 40 BFAB O=C(N[C@H]1CCCc2occc21)C1CCC1 69464438 YIJMHGQRPHUPPJ-NSHDSACASA-N 219.284 2.573 0 40 BFAB O=Cc1c(-c2ccccc2F)noc1Cl 71976711 QGCNBDQJCXKJKV-UHFFFAOYSA-N 225.606 2.947 0 40 BFAB Cc1cc(N2CCC[C@H]2c2ccccn2)ncn1 72357283 LPSHMPWNCRRLQU-ZDUSSCGKSA-N 240.310 2.522 0 40 BFAB CN(C)c1ccc(Br)c(F)c1 75842500 XJMQJBUNUWPJGH-UHFFFAOYSA-N 218.069 2.654 0 40 BFAB CCOc1cc(Cl)ncc1Br 83337071 LQKMQYWWXDYKCI-UHFFFAOYSA-N 236.496 2.896 0 40 BFAB CC(C)[C@H](C)CC(=O)N[C@H]1CCC[C@H]1C 84691756 NKVNHQJBZCFEHP-UTUOFQBUSA-N 211.349 2.973 0 40 BFAB CC(=O)N(C)c1ccc(OCC(C)C)cc1 85264942 HQEOHNNKVBJAFG-UHFFFAOYSA-N 221.300 2.704 0 40 BFAB CCOC(=O)/C(Cl)=C/c1cccc(F)c1 85396906 HCLFBPNUCCEZMZ-YFHOEESVSA-N 228.650 2.969 0 40 BFAB CCO[C@@H](C)c1noc([C@H]2CC=CCC2)n1 89984964 QAWWRYOGDJCVOJ-UWVGGRQHSA-N 222.288 2.991 0 40 BFAB CN[C@H]1CCCC[C@H]1N(C)Cc1ccccc1 95079714 QUQVXIHJGYMLCS-LSDHHAIUSA-N 232.371 2.649 0 40 BFAB CSCC[C@@H](N)CN(CC(C)C)CC(C)C 96523861 DLJPJNXEEGLTPX-CYBMUJFWSA-N 246.464 2.681 0 40 BFAB CSCC[C@H](N)CN(CC(C)C)CC(C)C 96523862 DLJPJNXEEGLTPX-ZDUSSCGKSA-N 246.464 2.681 0 40 BFAB CCN(CC)CCSc1nc(C)c(C)o1 97139633 YUSHUSTUTLTZIQ-UHFFFAOYSA-N 228.361 2.725 0 40 BFAB C[C@H](NC(=O)c1cccnc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 100842676 NTMANIMIVFSVIN-SFTQSGBHSA-N 244.338 2.636 0 40 BFAB Oc1cc(C(F)(F)F)cc2cccnc12 139924666 YIGZQYRBAXZYOZ-UHFFFAOYSA-N 213.158 2.959 0 40 BFAB C[C@@H]1CC(=O)c2cnn(-c3cccc(F)c3)c2C1 199732584 KCOVMSQCOMRDBK-VIFPVBQESA-N 244.269 2.776 0 40 BFAB C[C@H]1CCCCN1Cc1c2c(nn1C)CCCC2 637837002 XRJAEYYOVVQECG-LBPRGKRZSA-N 247.386 2.673 0 40 BFAB Cc1nn(C)cc1-c1cc(N)c2ccccc2n1 1548919432 UIWHTIKTEMALLR-UHFFFAOYSA-N 238.294 2.526 0 40 BFAB Cc1ccc(C(=O)c2ccc(O)cc2O)cc1 345841 FGCATPMSNCVLQK-UHFFFAOYSA-N 228.247 2.637 0 40 BFAB biogenic FC(F)(F)Oc1ccc(-n2cccn2)cc1 1424731 PBPXLAMFDDWLOO-UHFFFAOYSA-N 228.173 2.771 0 40 BFAB CCC[C@](C)(O)CC[C@@](C)(O)CCC 1596817 VGRYQTVSPZCCQK-RYUDHWBXSA-N 202.338 2.869 0 40 BFAB CCCCS(=O)(=O)c1ccc(Cl)cc1 1682105 BNTDSRCIGYVKEO-UHFFFAOYSA-N 232.732 2.914 0 40 BFAB O=Cc1c(-c2ccccc2)nnn1-c1ccccc1 1710448 BHHUSSZPKNQMAD-UHFFFAOYSA-N 249.273 2.747 0 40 BFAB CN(C(=S=O)c1ccccc1)c1ccccc1 1872001 RNFPXAPDXOCTLM-UHFFFAOYSA-N 243.331 2.514 0 40 BFAB CCOc1ncnc2c1[nH]c1ccc(C)cc12 2251629 OMSIYPOVJFIUEL-UHFFFAOYSA-N 227.267 2.818 0 40 BFAB CC(C)CCSc1nnc(S)s1 2511411 YWQCNVNGCULYPK-UHFFFAOYSA-N 220.388 2.965 0 40 BFAB O[C@]1(c2ccccc2)Cc2cccc(F)c21 3848055 CDNYVSPHZAMBCI-AWEZNQCLSA-N 214.239 2.618 0 40 BFAB biogenic C[C@H]1CCO[C@@H]([C@@H](C)c2ccccc2)O1 4791956 PXHOWQRLOQCIKA-GMXVVIOVSA-N 206.285 2.942 0 40 BFAB Cc1cc(C)cc(O[C@@H](C)C(=O)NC(C)(C)C)c1 8558649 HUUURKADICHXCJ-LBPRGKRZSA-N 249.354 2.985 0 40 BFAB Cc1ccccc1OCC(=O)NCCC(C)C 8571537 XHERBIAFZAXBGG-UHFFFAOYSA-N 235.327 2.536 0 40 BFAB CCCc1c(C)nc2ccc(C(=O)O)cc2c1O 8733391 KBXXUAZNZIOYCL-UHFFFAOYSA-N 245.278 2.900 0 40 BFAB biogenic O=C(/C=C/c1ccsc1)Nc1nccs1 9609497 SQCHANYDUXJQMM-OWOJBTEDSA-N 236.321 2.857 0 40 BFAB Cc1ccc(NC(=O)c2cnn(C)c2)cc1Cl 11427454 WFUAFPSPPNWVRR-UHFFFAOYSA-N 249.701 2.634 0 40 BFAB CC[C@@]1(C)Cc2ccccc2C(=S)N1 13544333 ZMUHKQKYSOBNTH-LBPRGKRZSA-N 205.326 2.677 0 40 BFAB CCONC(=O)c1ccc2ccccc2c1 17821388 NOMDVWPIFNWPCV-UHFFFAOYSA-N 215.252 2.521 0 40 BFAB C[C@@H](C1CC1)N(C)C(=O)Nc1ccccc1 25511701 QQCKYPRPBJMSMT-JTQLQIEISA-N 218.300 2.949 0 40 BFAB COc1ccc(C(F)(F)F)c(Cl)n1 34464361 RZZIQSBRKKMUKG-UHFFFAOYSA-N 211.570 2.762 0 40 BFAB in-vitro O=Cc1cn(C2CCCC2)nc1-c1ccccn1 40927600 ISGFJSMIDJXPDN-UHFFFAOYSA-N 241.294 2.873 0 40 BFAB Fc1ccc(SC[C@H]2CCCNC2)cc1 43471598 WEGMYYAVTHEZJB-JTQLQIEISA-N 225.332 2.917 0 40 BFAB CCc1ccc(C(=O)NCC(F)(F)F)s1 52949151 XQJJOQMONCHXCA-UHFFFAOYSA-N 237.246 2.603 0 40 BFAB Nc1nnc([C@@H]2CCCc3ccccc32)s1 54669268 UEVINPKTSLZDPR-SNVBAGLBSA-N 231.324 2.589 0 40 BFAB in-vitro Cc1nc(C)c(C(=O)N2CCC(C)CC2)s1 58872811 FFLUAPWTPZEMEE-UHFFFAOYSA-N 238.356 2.632 0 40 BFAB Cc1ccc([C@H](O)c2ccoc2)cc1F 68979226 BWNGQSWMNMYGJX-LBPRGKRZSA-N 206.216 2.809 0 40 BFAB Cc1ccccc1N(C(=O)[C@@H]1CCOC1)C(C)C 71858636 PLLXJLHVKYDLKO-CYBMUJFWSA-N 247.338 2.773 0 40 BFAB Cc1cc(O[C@H](C)C(=O)N(C)C)ccc1Cl 72119108 JFYRCVLCSBMANX-SECBINFHSA-N 241.718 2.504 0 40 BFAB CCOc1ncccc1[C@H]1CCCN1CC 72211830 LDGWWEVEMRHSMH-GFCCVEGCSA-N 220.316 2.637 0 40 BFAB Clc1ccc(NCC2CCOCC2)nc1 82544985 CRMFLYFSLSRQPN-UHFFFAOYSA-N 226.707 2.574 0 40 BFAB Nc1ccc2nc(CC(F)(F)F)sc2c1 85279133 SJGBZDVJIAJBAI-UHFFFAOYSA-N 232.230 2.983 0 40 BFAB Cc1n[nH]c(C)c1CN(C)c1ccccc1 91352793 BXANBQLAIOSEPD-UHFFFAOYSA-N 215.300 2.663 0 40 BFAB Clc1ncc2[nH]c(-c3ccccc3)nc2n1 96311511 XZRDPJFHHRMTRC-UHFFFAOYSA-N 230.658 2.673 0 40 BFAB CC[C@H](O)CN[C@@H](C)[C@@H](C)c1ccccc1 97110022 PXEKSGOZQYXUGP-DYEKYZERSA-N 221.344 2.539 0 40 BFAB C(=C/c1ccccc1)\CSc1cn[nH]n1 97227369 ASVMKGFBWJSGDB-QPJJXVBHSA-N 217.297 2.610 0 40 BFAB COC[C@](C)(NCc1ccco1)c1ccccc1 154679630 YVZDKTXYIALVCK-HNNXBMFYSA-N 245.322 2.931 0 40 BFAB O=C(CC1CC1)N[C@@H]1CCCc2c(O)cccc21 195580107 RNWARTVJINHLGX-CYBMUJFWSA-N 245.322 2.686 0 40 BFAB Clc1cccnc1O[C@H]1CCSC1 585655162 VOEFEUDVWJPYGV-ZETCQYMHSA-N 215.705 2.619 0 40 BFAB CCc1[nH]c2c(O)cccc2c(=O)c1C(C)C 685938812 ZFGNTHDNQILBHB-UHFFFAOYSA-N 231.295 2.920 0 40 BFAB Brc1cnc2nc3c(cc2c1)CCC3 2080417505 CRXWNMPVOUTBDG-UHFFFAOYSA-N 249.111 2.881 0 40 BFAB COc1ccc(C(Cl)Cl)c(C(=O)O)c1 3187785 WFRHZTQOCNHZFF-UHFFFAOYSA-N 235.066 2.870 0 40 BFAB CN(CCCCCCN)Cc1ccccc1 4226805 SNCAWXJEXXQAHH-UHFFFAOYSA-N 220.360 2.638 0 40 BFAB CN(C)C1C/C=C\CC(N(C)C)C/C=C\C1 4701656 CSMNZRTUTXHIAI-SFECMWDFSA-N 222.376 2.533 0 40 BFAB CC1CCN(Cc2cccc(C(=O)O)c2)CC1 11885337 VJVBALKIHRURTN-UHFFFAOYSA-N 233.311 2.617 0 40 BFAB Cc1cccc(NC(=O)/C=C\c2ccco2)n1 16362443 YCSKBWYXVDFLJE-FPLPWBNLSA-N 228.251 2.635 0 40 BFAB CC[C@@H](C)c1ccccc1NS(=O)(=O)CC 16972587 JXUPZAUKKIZLHT-SNVBAGLBSA-N 241.356 2.962 0 40 BFAB N[C@H](c1ccc(Cl)cc1)[C@@H]1CCCO1 19414959 WHFDDFWZZVVGCH-WDEREUQCSA-N 211.692 2.519 0 40 BFAB COC[C@H](C)N[C@H](C)c1ccccc1C 19904863 WJBOLYLDTPHQPR-NWDGAFQWSA-N 207.317 2.681 0 40 BFAB CC(C)CC(=O)Nc1ccc2[nH]ncc2c1 20468499 XGNHJJHFJOQJDR-UHFFFAOYSA-N 217.272 2.548 0 40 BFAB CCCCN1CCCC[C@H]1CNCCC 22073503 XUKQUHJJQLWKKP-ZDUSSCGKSA-N 212.381 2.641 0 40 BFAB COC(=O)Cn1c2c(c3ccccc31)CCCC2 30834294 DAGYHNIBRQRGMP-UHFFFAOYSA-N 243.306 2.693 0 40 BFAB O=C(O)Cc1cccc(-c2cccc(O)c2)c1 32002933 FTHAWRKPDOVAMS-UHFFFAOYSA-N 228.247 2.686 0 40 BFAB COc1ccc(C)cc1CNC(C)(C)C 35219712 NDWASJVONXZIGM-UHFFFAOYSA-N 207.317 2.892 0 40 BFAB CCC(=O)N[C@H](C)c1ccc(SC)cc1 36392888 XRCDKEPVHYMGTG-SECBINFHSA-N 223.341 2.996 0 40 BFAB CC(C)(C)NC(=O)c1cc(-c2ccccc2)no1 41749278 GGDNYYSHGABUTE-UHFFFAOYSA-N 244.294 2.870 0 40 BFAB c1ccc(Cc2ccc(OC3CNC3)cc2)cc1 42770013 VBGMADCIHLBMAS-UHFFFAOYSA-N 239.318 2.628 0 40 BFAB OCC[C@@H]1CCCCN1Cc1cccc(F)c1 49801415 YIWWOPCKECKCRV-AWEZNQCLSA-N 237.318 2.563 0 40 BFAB CC1CCN(c2ccc(-n3cnnc3)cc2)CC1 57332388 GUINOHMGIJRMKH-UHFFFAOYSA-N 242.326 2.504 0 40 BFAB Cc1nc(C(=O)Oc2ccccc2F)cs1 69311817 NTZGUQHCFGYNDT-UHFFFAOYSA-N 237.255 2.810 0 40 BFAB CCn1ccnc1[C@H](O)CCc1ccccc1 69496721 VONKBAVUYUMSHF-CYBMUJFWSA-N 230.311 2.569 0 40 BFAB in-vitro COc1ccc(C)cc1Cn1ccc(C)cc1=O 69770255 IOBWPKWDMNXSPQ-UHFFFAOYSA-N 243.306 2.522 0 40 BFAB CC[C@H](C)Nc1ccc([C@@H]2CCCN2)cn1 72213470 NLIZWKVVMGGVPG-JQWIXIFHSA-N 219.332 2.717 0 40 BFAB Cc1nc(Cl)ccc1[C@H]1CCCCN1C=O 72217933 UFEVYJDRGQNWBP-LLVKDONJSA-N 238.718 2.727 0 40 BFAB Cc1cc(N2CCCCC2)ncc1[C@H]1CCCN1 72219203 YQOSHNMUBCKVIJ-CQSZACIVSA-N 245.370 2.805 0 40 BFAB c1cc(NCc2ccoc2)c2c(c1)OCCO2 84358578 YOLMRLWSJAQIRM-UHFFFAOYSA-N 231.251 2.663 0 40 BFAB Cc1csc(CN2C[C@H]3CCC[C@@H]3C2)n1 89705587 NNXOBNWONMVWFT-GHMZBOCLSA-N 222.357 2.683 0 40 BFAB COC(=O)c1ccc(-c2cc(C)ns2)cc1 91695997 GWDSEMNOINVPIX-UHFFFAOYSA-N 233.292 2.905 0 40 BFAB C[C@@H]1CCCCN1Cc1cccc(C=O)c1 95738620 LFKSENBXQNHAGH-GFCCVEGCSA-N 217.312 2.874 0 40 BFAB Cc1ccc(CN2CC[C@]3(CCCCN3C)C2)o1 96203124 LSNAEDYFZVSSKK-OAHLLOKOSA-N 248.370 2.648 0 40 BFAB Cc1c(F)ccc(C=O)c1C(F)(F)F 98210800 NPISXPQWHMSGAO-UHFFFAOYSA-N 206.138 2.965 0 40 BFAB CCC/C=C\COC(=O)c1ccccc1O 111412588 DLWPCXLFHSLSMZ-DAXSKMNVSA-N 220.268 2.905 0 40 BFAB C=C(F)S(=O)(=O)c1nc2ccccc2s1 143141707 NKKNTMTZBNXVOG-UHFFFAOYSA-N 243.284 2.511 0 40 BFAB CCOC(=O)c1c(Cl)ccc(OC)c1F 199567888 GEGKHEPBKCOJNQ-UHFFFAOYSA-N 232.638 2.664 0 40 BFAB CCc1ccc(C(=O)OC)n1[C@H](C)CC 226022112 VVLABAWADUNSSE-SECBINFHSA-N 209.289 2.808 0 40 BFAB O=C(O)/C=C/c1csc(C(F)(F)F)c1 521398894 ZZIQKZDAWFLAAP-OWOJBTEDSA-N 222.187 2.865 0 40 BFAB C1=C(CN2CCCCC2)COc2ccccc21 1718135 XELFDEFPMATMSQ-UHFFFAOYSA-N 229.323 2.948 0 40 BFAB S=C(Nc1cccc2ccccc12)N1CC1 1722359 KARPTTIIPACRNV-UHFFFAOYSA-N 228.320 2.852 0 40 BFAB CCOC(=O)CCCCC(=O)C1CCCC1 2379030 WWWRFKNQUGHBIX-UHFFFAOYSA-N 226.316 2.869 0 40 BFAB CC(C)(C)C(=O)COC(=O)c1cccs1 3217597 ZPGSOACPXHWNJT-UHFFFAOYSA-N 226.297 2.520 0 40 BFAB COc1cc(C)c(CCCC(=O)O)cc1C 4943449 XOBZQMGCZYSQEJ-UHFFFAOYSA-N 222.284 2.719 0 40 BFAB in-vitro C[C@]1(c2ccccc2)CC[C@@H](O)C[C@@H]1CC(=O)O 5495706 AYPMWMZTVODKNC-UMVBOHGHSA-N 248.322 2.580 0 40 BFAB O=C(c1ccc2ccccc2n1)N1CCCCC1 5669535 TVKVCTUJWVSFMF-UHFFFAOYSA-N 240.306 2.861 0 40 BFAB CC(C)COC(=O)/C=C\c1ccccc1 14652216 IQZUZPKOFSOVET-HJWRWDBZSA-N 204.269 2.899 0 40 BFAB endogenous,in-man O=C1CCCc2c1cnn2-c1ccccc1F 16971244 WTQJNEKCQKEGGA-UHFFFAOYSA-N 230.242 2.530 0 40 BFAB CCCCNC(=O)[C@H](C)Oc1cccc(C)c1C 20046508 AOSVKXBOVJJWLC-ZDUSSCGKSA-N 249.354 2.987 0 40 BFAB Cc1c(N)cccc1-c1nc2cc(N)ccc2o1 20134671 VHKGSUKNKIRICS-UHFFFAOYSA-N 239.278 2.968 0 40 BFAB CC(C)CCC(=O)Nc1ccc(C(=O)O)cc1 20136745 FCLULOJZUCHGMQ-UHFFFAOYSA-N 235.283 2.760 0 40 BFAB CC[C@H](C)NC(=O)[C@@H](C)Oc1cccc(C)c1C 22515759 GYUDLADURWGUOF-WCQYABFASA-N 249.354 2.985 0 40 BFAB Cc1ccc(NC(=O)C2CCOCC2)c(C)c1 23623105 RXAIFJSCPSJCGF-UHFFFAOYSA-N 233.311 2.669 0 40 BFAB Cc1ccc(-c2nnc(S)s2)cc1 26549264 URJNYJWVJQFSHY-UHFFFAOYSA-N 208.311 2.802 0 40 BFAB C[C@@H](O)c1ccccc1N1CCCCC1 35650490 NRDNCDNXOHBIBS-LLVKDONJSA-N 205.301 2.730 0 40 BFAB CC(C)CCOc1ccc(F)cc1C(=O)O 37234405 WWMWHAWFHNCVCT-UHFFFAOYSA-N 226.247 2.949 0 40 BFAB O=C(C[C@H]1CCCO1)c1ccc(F)cc1 37464136 IUXVHIIWQCKBKI-LLVKDONJSA-N 208.232 2.578 0 40 BFAB in-vitro CCOC(=N)c1cccc(Br)c1 37928015 ZNYGBKFOKSKHGM-UHFFFAOYSA-N 228.089 2.811 0 40 BFAB CCOc1cccc(Br)c1OC 39321070 FUZAVLKKQYRSLI-UHFFFAOYSA-N 231.089 2.856 0 40 BFAB C[C@H](NC(=O)OC(C)(C)C)c1ccc(O)cc1 39953591 LTCGADYUJGMDCF-VIFPVBQESA-N 237.299 2.978 0 40 BFAB O=C(C1CCC1)N1CCC[C@H](C(F)(F)F)C1 40462017 DHKLTQFWDJEOMD-VIFPVBQESA-N 235.249 2.587 0 40 BFAB Cc1[nH]c(-c2cccc(Cl)c2)nc1C(=O)O 41272047 AZJGRTCDZBQXFC-UHFFFAOYSA-N 236.658 2.737 0 40 BFAB in-vitro COc1ccc2nc(C)cc(-n3cccn3)c2c1 41496133 QHTPSVGYJNUACK-UHFFFAOYSA-N 239.278 2.738 0 40 BFAB Nc1cccc(C[S@](=O)c2ccccc2)c1 42372848 ZCCRONCNAAMYNN-MRXNPFEDSA-N 231.320 2.577 0 40 BFAB in-vitro O=C(O)c1ccc(OC(F)F)c(Cl)c1 42393261 SLPNPJPSQCADEB-UHFFFAOYSA-N 222.574 2.640 0 40 BFAB Cc1cc(OC[C@@H]2CCNC2)ccc1Cl 42772944 YJRJKLILZBWKRR-SNVBAGLBSA-N 225.719 2.637 0 40 BFAB CCOc1ccccc1[C@H](O)C(F)(F)F 43367897 UDNABDZRAPVORN-VIFPVBQESA-N 220.190 2.681 0 40 BFAB C[C@@H]1C[C@H]1C(=O)N(C)CC1CCCCC1 43979910 DSAMOXVUXWYRKI-ZYHUDNBSSA-N 209.333 2.681 0 40 BFAB COCCN1CCC[C@H]1c1ccc(F)cc1 55506755 ZBGUJEWDMMBMMV-ZDUSSCGKSA-N 223.291 2.609 0 40 BFAB Cc1occc1C(=O)N[C@@H]1CCCc2occc21 69530236 KKTIJQCYBRSEGI-GFCCVEGCSA-N 245.278 2.988 0 40 BFAB COc1cccc2c1C(=O)CCN2CC(C)C 72233401 IWXIWABWXYYNLX-UHFFFAOYSA-N 233.311 2.744 0 40 BFAB c1ccc([C@H]2CCCN2c2ccccn2)nc1 72348499 METRLCQDSSWRDH-CYBMUJFWSA-N 225.295 2.818 0 40 BFAB O=C(O)[C@H]1CCc2c(Br)cccc21 82306227 XTPINFSCKGQEEQ-QMMMGPOBSA-N 241.084 2.564 0 40 BFAB CCC(=O)c1cc(F)c(OC)cc1F 83255837 SBCUXDRXRDTDKS-UHFFFAOYSA-N 200.184 2.566 0 40 BFAB C[C@H](O)CN[C@@H]1CCCSc2ccccc21 95419028 YHHQBRNNEYJXTA-CMPLNLGQSA-N 237.368 2.584 0 40 BFAB CCN(CC)[C@H]1[C@@H](O)[C@]2(C)CC[C@@H]1C2(C)C 104377317 JBGSUUCUNUGRIZ-SFTQSGBHSA-N 225.376 2.514 0 40 BFAB Cc1ccc(C(=O)CC(=O)C(C)C)cc1 104476938 QQZJJERBTMOTDY-UHFFFAOYSA-N 204.269 2.793 0 40 BFAB CC(C)c1ccc(C(=O)[C@@H]2C[C@@H]2C(=O)O)cc1 217816319 VTGISCKYQUJNDI-NEPJUHHUSA-N 232.279 2.713 0 40 BFAB C[C@@H](C(=O)O)N(C)c1cccc(Cl)c1Cl 224993416 QDUIFSBAIPOCII-LURJTMIESA-N 248.109 2.903 0 40 BFAB CS(=O)(=O)c1ccc2c(Cl)csc2c1 228976915 SIPUJCULORYCIH-UHFFFAOYSA-N 246.740 2.958 0 40 BFAB c1ccc(-c2c[nH]nc2N2CCSCC2)cc1 1775985832 AOSGNAONLGIRHO-UHFFFAOYSA-N 245.351 2.630 0 40 BFAB O=C(O)c1cc(S)c2ccc(Cl)cc2n1 5928 KSCOHHUVHWAXLK-UHFFFAOYSA-N 239.683 2.875 0 40 BFAB Cc1cc(C)c(N)c([C@@H](O)c2ccccc2)c1 305502 CZONEUUVGUPQSP-HNNXBMFYSA-N 227.307 2.967 0 40 BFAB biogenic Cc1nc(-c2sc3ncnn3c2C)cs1 1401913 UXAGUPYVOACRCA-UHFFFAOYSA-N 236.325 2.531 0 40 BFAB CCCCC(=O)OCCOc1ccccc1 1584015 VTDVFBXXQCGSIB-UHFFFAOYSA-N 222.284 2.799 0 40 BFAB CCOC(=O)C(CC)(CC(C)C)C(=O)OCC 1716462 CXSIESQPWSWLSU-UHFFFAOYSA-N 244.331 2.555 0 40 BFAB Cc1ccc2ccc(CC[C@H](C)O)cc2n1 3844800 BOODIWKFJDOAEC-NSHDSACASA-N 215.296 2.857 0 40 BFAB biogenic COc1ccc(C(=O)N[C@H]2C[C@@H]3CC[C@H]2C3)cc1 6843317 ATEMUGFCSNIPOK-OSMZGAPFSA-N 245.322 2.614 0 40 BFAB c1ccc(SCc2ccncc2)nc1 13282966 XQQUQBOCMUBAQP-UHFFFAOYSA-N 202.282 2.769 0 40 BFAB C/C=C/C=C/C(=O)NCc1ccc(C)c(F)c1 14183475 PUKQQDXMOZPOQD-VNKDHWASSA-N 233.286 2.883 0 40 BFAB CC[C@H](C)[C@H](N)c1ccc2c(c1)OCCCO2 19968031 HUSRCLWUPIDYKW-HZMBPMFUSA-N 235.327 2.894 0 40 BFAB CCCCN(C)c1ccc(C(=O)O)cc1 20079932 MVQQSIJJJGMLEG-UHFFFAOYSA-N 207.273 2.621 0 40 BFAB in-vitro C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)NCC2CC2)o1 27467282 GZZFZYWRWCYFPS-HIGLLMRHSA-N 245.322 2.942 0 40 BFAB CN(CC1CCCCC1)C(=O)c1ccco1 32753012 FOKQYEWBCCCGLD-UHFFFAOYSA-N 221.300 2.932 0 40 BFAB COCCNC(=O)Nc1ccccc1C(C)C 36179389 TYRAGBFBQRRDBP-UHFFFAOYSA-N 236.315 2.578 0 40 BFAB Cc1cc([C@@H](C)NC(=O)C2CC2)c(C)s1 36393791 WYGURUUZGKJLNH-MRVPVSSYSA-N 223.341 2.952 0 40 BFAB N[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 37425112 GJBXYYOESOABGQ-RKDXNWHRSA-N 202.084 2.808 0 40 BFAB O=C(Cc1ccccc1Cl)[C@H]1CCCO1 38125491 LVDYVSQVFXRVQZ-GFCCVEGCSA-N 224.687 2.631 0 40 BFAB O=C(C1CCC1)N1CC[C@H](c2ccccc2)C1 38566851 NSOIUWZLJRXMQU-AWEZNQCLSA-N 229.323 2.803 0 40 BFAB Cc1noc(C)c1CN1CCCC[C@H]1C 40460806 LLRJRUUABDIDCG-SECBINFHSA-N 208.305 2.666 0 40 BFAB COCc1cccc(NC(=O)NCC(C)C)c1 40527048 IVYQAEMRGWNLDD-UHFFFAOYSA-N 236.315 2.611 0 40 BFAB O=C(Nc1ccc(F)cc1)c1cscn1 41506724 YQSNRNIHSYQXQA-UHFFFAOYSA-N 222.244 2.535 0 40 BFAB CN(C)C(C)(C)CNc1nc2ccccc2o1 42246362 ANGMGUCTYVNPHH-UHFFFAOYSA-N 233.315 2.580 0 40 BFAB Clc1nc(C2CC2)nc2c1CCCC2 42403563 FDSNXKBMCVIPGO-UHFFFAOYSA-N 208.692 2.886 0 40 BFAB O[C@H]1CCc2cc(Cl)cc(Cl)c21 42405575 MSBZPTHVBLQOPJ-QMMMGPOBSA-N 203.068 2.973 0 40 BFAB in-vitro O[C@@]1(C(F)(F)C(F)(F)F)C=CCCC1 43464541 IDTUHZNRUVESEG-LURJTMIESA-N 216.149 2.655 0 40 BFAB COCC(=O)c1c(COC)ccc2ccccc12 43504879 BDYPWLDZCMSSFU-UHFFFAOYSA-N 244.290 2.815 0 40 BFAB CC(C)(C)OC(=O)CCNCc1cccs1 47218988 PYCDPIWRRGBUHS-UHFFFAOYSA-N 241.356 2.570 0 40 BFAB CCOC(=O)c1ncc(-c2ccc(OC)cc2)o1 61957834 YTFWDPLAXJZJDR-UHFFFAOYSA-N 247.250 2.527 0 40 BFAB in-vitro CC(C)CNc1ncccc1[C@@H]1CCCCN1 72213266 MMJOHVDPQJTHNX-ZDUSSCGKSA-N 233.359 2.964 0 40 BFAB CCC(=O)c1cnc(NC2CC2)cc1C 72223808 BONMBLLSDNOQLE-UHFFFAOYSA-N 204.273 2.557 0 40 BFAB O=C(O)c1ccc(Oc2ccccc2)cn1 83989907 ZGOYDFUNXFOBES-UHFFFAOYSA-N 215.208 2.572 0 40 BFAB in-vitro CCO[C@H]1C[C@@H](N(C)Cc2ccccn2)C1(C)C 84800740 RLNORTZEIPICSK-KGLIPLIRSA-N 248.370 2.717 0 40 BFAB c1cc(-c2cn[nH]c2)ccc1OC[C@@H]1CCCO1 85393945 XMXIDMMDJVXZPM-AWEZNQCLSA-N 244.294 2.635 0 40 BFAB Cc1csc(SCCC2CCNCC2)n1 95908651 PSZCSYHZFBOCPT-UHFFFAOYSA-N 242.413 2.933 0 40 BFAB C1CCC(CCCN2CCCNCC2)CC1 96523657 PPENNRAGHQEHBP-UHFFFAOYSA-N 224.392 2.642 0 40 BFAB O=C(C1=NO[C@@H]2[C@H]1[C@@H]1CC[C@@H]2C1)c1ccccc1 103107591 CEAYTPVKXPIMKF-FJJYHAOUSA-N 241.290 2.670 0 40 BFAB C[C@H]1CO[C@H](C)CN1CCCc1ccccc1 106860102 MNZNLVJHYGLODP-UONOGXRCSA-N 233.355 2.728 0 40 BFAB CCC[C@@H](Nc1cnn(C)c1)c1cccnc1 157303811 CZHPJQRTUARUBG-CYBMUJFWSA-N 230.315 2.768 0 40 BFAB O=C(c1ccncc1)c1c[nH]c2ccc(F)cc12 196380112 YNYMKXBCTBDDTD-UHFFFAOYSA-N 240.237 2.933 0 40 BFAB CCc1ccc(N[C@@H]2CCCC[C@@H]2N)cc1 218863040 KCDCPEUDJGVRJN-UONOGXRCSA-N 218.344 2.931 0 40 BFAB C[C@@H]1CN2CCC[C@H]2CN1C[C@@H]1CC=CCC1 246534327 PPTRKUGASCANCS-KFWWJZLASA-N 234.387 2.511 0 40 BFAB COC(=O)[C@@H](F)c1ccc(Cl)cc1 257903363 WBYZDWWQWYDDKZ-QMMMGPOBSA-N 202.612 2.524 0 40 BFAB CC[C@H](C)[C@H](C)N[C@@H]1CSC1(C)C 308297968 KQVTXCFLHNCHLF-LPEHRKFASA-N 201.379 2.905 0 40 BFAB CC(C)COCc1ccnn1CC(C)C 408716381 MJTBXHASWDPAKN-UHFFFAOYSA-N 210.321 2.712 0 40 BFAB Nc1ccc2ncc(OCC(F)(F)F)cc2c1 685937817 TYORVWZCVSSNPK-UHFFFAOYSA-N 242.200 2.758 0 40 BFAB CC(C)OCC(F)(F)[C@@H](F)C(F)(F)F 1083806423 XJHDBHRDCHVPGY-RXMQYKEDSA-N 224.144 2.947 0 40 BFAB C1CC[C@H]2N[C@H]3CCCC[C@H]3S[C@H]2C1 2450531 MGTISLRHMWCSLR-IWDIQUIJSA-N 211.374 2.945 0 40 BFAB O=Cc1cc(F)c(F)c(C(F)(F)F)c1 2560151 OANOWXFVOONYHQ-UHFFFAOYSA-N 210.101 2.796 0 40 BFAB Cc1ccc(NC(=O)c2ocnc2C)c(C)c1 4148058 FRBIEQYWBLQRSD-UHFFFAOYSA-N 230.267 2.852 0 40 BFAB Clc1cccc(NC2CCNCC2)c1 4312836 BLTAXAYIOGVXOE-UHFFFAOYSA-N 210.708 2.504 0 40 BFAB Cc1ccc2nc(C(F)(F)F)[nH]c2c1 4529681 OLLDPPSRICPSTA-UHFFFAOYSA-N 200.163 2.890 0 40 BFAB in-vitro CCCCCNCc1ccccc1OC 6427755 CSJLWUZZWIYIES-UHFFFAOYSA-N 207.317 2.975 0 40 BFAB FC(F)[C@@](F)(Br)OC(F)(F)F 8698308 AWOMFEUKFYXKCV-REOHCLBHSA-N 246.932 2.806 0 40 BFAB CCC[C@H](Oc1ccccc1Cl)C(=O)O 8730634 DVOPFFJHKYKLLM-JTQLQIEISA-N 228.675 2.972 0 40 BFAB CCC[C@H](N[C@@H]1C(C)=Cc2ccccc21)C(=O)O 8730654 IODKUYZKWSNWCQ-UONOGXRCSA-N 245.322 2.988 0 40 BFAB Fc1ccc(-c2nc3ccncc3[nH]2)cc1 8773005 XUJBCUZKFSAZJF-UHFFFAOYSA-N 213.215 2.764 0 40 BFAB N[C@H](CCN1CCCCC1)c1ccccc1 12357654 AQRWYAQXDIBCCU-CQSZACIVSA-N 218.344 2.562 0 40 BFAB Cc1cc(F)ccc1NC(=O)[C@H](C)n1cccn1 12849863 XQAXGEWRNJTHAD-JTQLQIEISA-N 247.273 2.530 0 40 BFAB CCC[C@H](C)NCc1ccccc1OC 19903301 CZZDRLAMLAGBOO-NSHDSACASA-N 207.317 2.973 0 40 BFAB Cc1ccc(C(=O)Nc2nc(C)c(C)s2)cn1 22415766 DJBDVZXUGULZAV-UHFFFAOYSA-N 247.323 2.716 0 40 BFAB Nc1ccc(Nc2ccccc2)c(C(=O)O)c1 32238071 YKWIACXPBYJNGR-UHFFFAOYSA-N 228.251 2.711 0 40 BFAB NCCc1ccccc1OCc1ccccc1 33828300 FPKXUAZYZGMAQJ-UHFFFAOYSA-N 227.307 2.767 0 40 BFAB C[C@@]1(C(=O)NC2CCCC2)CC1(Cl)Cl 40160894 BYZDQGFSCCPEPU-VIFPVBQESA-N 236.142 2.629 0 40 BFAB Nc1c(Br)ccc2cccnc12 40538024 RRXBTAPQBGUKPL-UHFFFAOYSA-N 223.073 2.580 0 40 BFAB Cc1ccc(OC2CCNCC2)c(Cl)c1 42775109 PTNWYRFHTGYWCU-UHFFFAOYSA-N 225.719 2.779 0 40 BFAB C[C@@H]1CN(Cc2cccc(Cl)c2)[C@H](C)CO1 45784347 UEEJOQPFVHHBPB-GHMZBOCLSA-N 239.746 2.949 0 40 BFAB CC(C)[C@@H]1CCCN1C(=O)c1cc(Cl)c[nH]1 49122475 BQCWOMXEBAQYPW-NSHDSACASA-N 240.734 2.929 0 40 BFAB N[C@@H](CC1CCOCC1)c1cccc(F)c1 53789764 XHFLVFFPLWHVGP-ZDUSSCGKSA-N 223.291 2.642 0 40 BFAB CC(C)(C(=O)NCC1CC1)c1ccccc1F 69325569 PGHGGBORLGIAQY-UHFFFAOYSA-N 235.302 2.630 0 40 BFAB CNC/C=C/c1cccc(C(F)(F)F)c1 70453046 ZRDZWDLATNNHGV-HWKANZROSA-N 215.218 2.938 0 40 BFAB C[C@H]1C[C@@H](c2ccc(Br)cc2)CN1 70586669 SHAVEQAQWNRALP-WCBMZHEXSA-N 240.144 2.915 0 40 BFAB C[C@H](CO)CSCc1nc2ccccc2o1 85139021 ULSVZDJLPXLBAX-SECBINFHSA-N 237.324 2.689 0 40 BFAB c1ccc(CCCN2CC[C@@]3(CCOC3)C2)cc1 89830503 CQMXFHISFQXYSR-MRXNPFEDSA-N 245.366 2.732 0 40 BFAB CC[C@H](C)Oc1c(C)cc(C(N)=O)cc1C 95095311 FGQLXZDUNUJVLL-JTQLQIEISA-N 221.300 2.580 0 40 BFAB COc1ccc2cc(C=O)ccc2c1C 96528003 OFCRTJQAELFDEB-UHFFFAOYSA-N 200.237 2.969 0 40 BFAB Cc1cc(C)nc(NC(=O)c2ccoc2)c1 98020643 AUMHFHDNDDWKLR-UHFFFAOYSA-N 216.240 2.544 0 40 BFAB Cc1c(F)ccc(C(=O)O)c1C(F)(F)F 98210814 YGIVRKBTDKBHJH-UHFFFAOYSA-N 222.137 2.851 0 40 BFAB C[C@@H](O)c1cn(C)c2cc(Cl)ccc12 107686481 QHHTVSKNXUHNMU-SSDOTTSWSA-N 209.676 2.885 0 40 BFAB Cc1sc(Br)c(CN)c1C 132823915 XUVWFNRVLPCHRN-UHFFFAOYSA-N 220.135 2.586 0 40 BFAB CC[C@@H](NN)c1ccc(F)c(Br)c1 161805057 CXADIRJEFGPWMQ-SECBINFHSA-N 247.111 2.503 0 40 BFAB Cc1ccc([C@@H](C)N[C@H](C)c2nnc(C)o2)o1 182569659 CKUMTQYWJNBSHV-RKDXNWHRSA-N 235.287 2.691 0 40 BFAB COc1ccc(OC)c2c1[C@H]1CC[C@H]2[C@@H](O)[C@@H]1C 222399177 PBLXHRFSCYJJPB-VGAUDOQQSA-N 248.322 2.675 0 40 BFAB COc1ccc([C@H](O)c2ccc(N)c(C)c2)cc1 226292880 GMOSTYCRXXNCBF-HNNXBMFYSA-N 243.306 2.668 0 40 BFAB CC(C)c1nnc(N2CCC(F)(F)C2)s1 334304994 DRFKCUCGTNEFOG-UHFFFAOYSA-N 233.287 2.507 0 40 BFAB O=C(Nc1ccc(F)cc1)N1CC[C@H](CF)C1 877901728 SSZAYUCTLDVMIK-SECBINFHSA-N 240.253 2.649 0 40 BFAB Cc1ccc(NC(=O)c2snnc2C)cc1C 385587 HFLCVFNAHUTWHE-UHFFFAOYSA-N 247.323 2.716 0 40 BFAB Cc1cc(C)n(C(=O)CCc2ccccc2)n1 587021 KGKSYAQJNOLMMM-UHFFFAOYSA-N 228.295 2.773 0 40 BFAB C[C@H]1CCCN(CCC(=O)c2ccccc2)C1 2044645 PWJRCBZVIFAULR-ZDUSSCGKSA-N 231.339 2.991 0 40 BFAB COc1ccc(CN2CCC(C)CC2)cc1OC 9805417 ZPCRZHCTDWYDCC-UHFFFAOYSA-N 249.354 2.936 0 40 BFAB Cc1ccc2[nH]c(C(=O)NC(C)C)cc2c1 12851273 ICTWPCORMUTPHI-UHFFFAOYSA-N 216.284 2.615 0 40 BFAB CC(C)(C)n1ncc2nc3ccccc3nc21 16323336 SZGLBOPRYLAMHK-UHFFFAOYSA-N 226.283 2.735 0 40 BFAB Cc1ccc([C@@H](C(=O)O)N2CCCCC2)cc1 16739305 KZUQOSMEHNREBC-ZDUSSCGKSA-N 233.311 2.607 0 40 BFAB Nc1cc(F)ccc1NC(=O)c1cccs1 20157364 PPLUYNOFRPSWLX-UHFFFAOYSA-N 236.271 2.722 0 40 BFAB Nc1nc2ccccc2n1-c1ccc(F)cc1F 20586153 HTSPWAODZNVAGN-UHFFFAOYSA-N 245.232 2.886 0 40 BFAB in-vitro CCNCc1cn(CC)c2ccccc12 20935073 HGXZSRALBFCPTN-UHFFFAOYSA-N 202.301 2.771 0 40 BFAB Cc1cccc(C(=O)N[C@@H]2CCCC[C@H]2C)n1 24449520 TXRSGYURZUTBES-ZYHUDNBSSA-N 232.327 2.699 0 40 BFAB CN(C)c1ccc(NCc2ccccn2)cc1 32015427 RIKLBFYMQFBFJF-UHFFFAOYSA-N 227.311 2.760 0 40 BFAB COC(=O)[C@@H](C)c1ccc2cc(O)ccc2c1 32210518 RKDCLWDNCOUHGF-VIFPVBQESA-N 230.263 2.822 0 40 BFAB CN(C(=O)C[C@@H]1C=CCC1)C1CCCC1 32901613 RWIDYGGSOJRYCY-LLVKDONJSA-N 207.317 2.744 0 40 BFAB CCOC(=O)COc1cc(Cl)cc(Cl)c1 35159639 NJTHTJOETFCNRO-UHFFFAOYSA-N 249.093 2.935 0 40 BFAB CN(Cc1ccccc1N)C(=O)c1cccs1 35360697 UXUQMPQPRZWNDC-UHFFFAOYSA-N 246.335 2.603 0 40 BFAB in-vitro CCOCCN[C@H](CC)c1ccccc1 36229102 QYPZHHVHVDOMBC-CYBMUJFWSA-N 207.317 2.764 0 40 BFAB O=C(O)c1cccc(NCc2ccc(O)cc2)c1 36804329 ZFEIQDDOCVPQRE-UHFFFAOYSA-N 243.262 2.703 0 40 BFAB Nc1ccc(Nc2ccccc2F)c(C(=O)O)c1 37930534 JNWQMOWNQNZUMR-UHFFFAOYSA-N 246.241 2.850 0 40 BFAB COC(=O)c1c(Cl)ccc(C=O)c1Cl 38953552 ADHQQWACKQLBFZ-UHFFFAOYSA-N 233.050 2.593 0 40 BFAB Cc1cccc(C2=N[C@@H](C(C)(C)C)CO2)n1 40434044 NHWBZSGKOQHPDW-LLVKDONJSA-N 218.300 2.582 0 40 BFAB C[C@H]1N=CC(c2ccc(CCl)cc2)=N1 40434709 XNZZISWFWDLKBI-QMMMGPOBSA-N 206.676 2.645 0 40 BFAB Cc1cccc(NC(=O)C[C@H]2C=CCC2)n1 40472888 ATWQFAYYZICDIK-NSHDSACASA-N 216.284 2.685 0 40 BFAB O=C(c1cc(F)c(F)c(F)c1)c1ccccn1 43210505 XOGWJLNARSFIQQ-UHFFFAOYSA-N 237.180 2.730 0 40 BFAB CC(C)(C)SCCNC(=O)[C@H]1CC=CCC1 66738292 CRSHWVANRYQONX-NSHDSACASA-N 241.400 2.991 0 40 BFAB O=c1ccc2c(Cl)ccc(Cl)c2[nH]1 70054893 LRBMALNNSRXZJJ-UHFFFAOYSA-N 214.051 2.835 0 40 BFAB CCCCN1CCC[C@H]1c1c[nH]c(=O)c(C)c1 72217964 VNBLRVJJARNRJA-ZDUSSCGKSA-N 234.343 2.620 0 40 BFAB c1ccc(CN2CC[C@@H](C3CCNCC3)C2)cc1 79065888 BGWCNBKHNSXEKS-MRXNPFEDSA-N 244.382 2.508 0 40 BFAB Clc1cc(Cl)nc(C2CCOCC2)n1 82473729 DJHXCPYJRXZMID-UHFFFAOYSA-N 233.098 2.677 0 40 BFAB CNc1ccc(-c2nc3ncccc3o2)cc1 82540052 NNABINKRGOMAQF-UHFFFAOYSA-N 225.251 2.932 0 40 BFAB Fc1cc2ocnc2cc1Br 94986250 OHRFZBHZGHMTOV-UHFFFAOYSA-N 216.009 2.729 0 40 BFAB Cc1ccnc(NC2CC2)c1Br 95097387 RCCUXQAKKVIHDZ-UHFFFAOYSA-N 227.105 2.727 0 40 BFAB CCC(CC)CNCc1ncc(C)s1 95434058 YXTIHXLTNVAHHB-UHFFFAOYSA-N 212.362 2.977 0 40 BFAB COCCN[C@H](C)c1cccc(N2CCCC2)c1 95985991 IKOOJUJVGPUROU-CYBMUJFWSA-N 248.370 2.584 0 40 BFAB CC(C)[C@H]1OCC[C@@H]1CNC(=O)OC(C)(C)C 96454043 VYPPPEXWROLDMF-GHMZBOCLSA-N 243.347 2.572 0 40 BFAB COC(=O)C1[C@H]2CCC[C@H]1C2c1ccccc1 102261840 MNVSIJJIVQRXEA-FEPKRQSRSA-N 230.307 2.989 0 40 BFAB CC[C@@H](NN)c1ccc(Cl)cc1Cl 161780437 KFBWSHCUBRGFFU-SECBINFHSA-N 219.115 2.908 0 40 BFAB Cc1cc(N)c(Br)cc1Cl 201208310 UROKIUVDZNZYAJ-UHFFFAOYSA-N 220.497 2.993 0 40 BFAB Cc1ccc([C@H](O)c2cccc(N)c2)cc1C 226291582 FMCRGFJZXYWQDD-OAHLLOKOSA-N 227.307 2.967 0 40 BFAB CC(C)C(CN(C)[C@@H](C)C[S@](C)=O)C(C)C 330031836 DUWJUYBZBJPSCE-LRDDRELGSA-N 247.448 2.613 0 40 BFAB CC(C)(C)C12CC(NC(=O)C(F)(F)F)(C1)C2 953082596 SDGDREBKHWYOJZ-UHFFFAOYSA-N 235.249 2.634 0 40 BFAB Nc1c(C=O)sc2nc3c(cc12)CCCC3 277155 FAKGDLMDHHPTPN-UHFFFAOYSA-N 232.308 2.570 0 40 BFAB C[C@@H]1CCO[C@@H](c2coc3ccccc3c2=O)O1 482563 ADXCKCOKWMDXRE-YMTOWFKASA-N 246.262 2.617 0 40 BFAB CC(=O)n1c(C=O)c(Cl)c2ccccc21 507449 CCYQRVAEQCVTGS-UHFFFAOYSA-N 221.643 2.767 0 40 BFAB O=Cc1cccc(-c2cccc(CO)c2)c1 1256469 OPBVFNNCJMBUPS-UHFFFAOYSA-N 212.248 2.658 0 40 BFAB Cc1cc([C@@H](CN)c2ccccc2)ccc1N 1597907 XUWDIQKHYVPULO-AWEZNQCLSA-N 226.323 2.668 0 40 BFAB Cc1ccccc1CN(C)CCCCCCO 1693778 NTGCYUFFMCJGQC-UHFFFAOYSA-N 235.371 2.980 0 40 BFAB Brc1cccc(C2OCCCO2)c1 2581190 JEMRRZJFAXMRKE-UHFFFAOYSA-N 243.100 2.885 0 40 BFAB Nc1cc(-c2ccccc2C(F)(F)F)no1 3715898 LZKUQQJFMRSXPU-UHFFFAOYSA-N 228.173 2.943 0 40 BFAB CC1CCN(C(=O)c2cccc(F)c2)CC1 5915883 BZJXYCDDZGJYTQ-UHFFFAOYSA-N 221.275 2.698 0 40 BFAB CC[C@@H]1CCc2c(c3ccccc3[nH]c2=O)O1 8665926 AYHZSOKNJRWFHZ-SECBINFHSA-N 229.279 2.632 0 40 BFAB CCC[C@H](Nc1ccc(C)cc1)C(=O)O 8702784 RXFWROPFOAWRTD-NSHDSACASA-N 207.273 2.660 0 40 BFAB COc1ccccc1C1O[C@@H](C)[C@@H](C)O1 12402996 HMWMHDMYHXVNMK-USUYBEQLSA-N 208.257 2.518 0 40 BFAB CC(C)NC(=O)NCc1cccc(Cl)c1 12972465 QISDWODBUNOGCU-UHFFFAOYSA-N 226.707 2.548 0 40 BFAB CC1=CC(C)(C)NC(=O)N1c1ccccc1 16680220 FOSLNMGBIYWUKX-UHFFFAOYSA-N 216.284 2.899 0 40 BFAB Fc1ccc(CCNCc2ccncc2)cc1 19904037 OCQKGEPNGBILHH-UHFFFAOYSA-N 230.286 2.553 0 40 BFAB CCOC(=O)c1cc2ccccc2cc1N 20362701 OPZJRRFHEFBPCY-UHFFFAOYSA-N 215.252 2.599 0 40 BFAB in-vitro O=C1NC(=S)C(=C2CCCCC2)S1 32598105 QVMJMLWNHQQIPI-UHFFFAOYSA-N 213.327 2.988 0 40 BFAB O=C(O)c1cccnc1-c1ccsc1 34924630 ANOOBNFJKSQNMY-UHFFFAOYSA-N 205.238 2.508 0 40 BFAB in-vitro CC(=O)[C@H](C)n1cnc2cc(C)c(C)cc21 35044962 LEFHSCYKGJALEU-JTQLQIEISA-N 216.284 2.803 0 40 BFAB CCC[C@H](N)CN(CC)C1CCCCC1 36873564 BRNZWPHGIOSMBX-LBPRGKRZSA-N 212.381 2.768 0 40 BFAB c1ccc2c(c1)ncn2CCNC1CCCC1 37927356 OMKSKMFSUPAQEX-UHFFFAOYSA-N 229.327 2.569 0 40 BFAB Cc1nn(-c2ccccc2)c(C)c1[C@@H](C)N 38343275 YRSFXZYBBHGXIN-SECBINFHSA-N 215.300 2.509 0 40 BFAB CC(C)CSc1nncn1Cc1ccco1 40480322 LKUQWAOHGLPQRF-UHFFFAOYSA-N 237.328 2.668 0 40 BFAB Brc1csc(C2CC2)n1 42750195 UJFDCZNRQSUMIF-UHFFFAOYSA-N 204.092 2.783 0 40 BFAB in-vitro CCc1ccc(O[C@H]2CCNC2)c(Cl)c1 42775161 LQCLJKZYVHBAJN-JTQLQIEISA-N 225.719 2.643 0 40 BFAB Brc1ccc(-c2cscn2)nc1 44121379 YTIBOJGRHQNSRD-UHFFFAOYSA-N 241.113 2.968 0 40 BFAB CC(C)c1cccc2c1ncc1c(=O)n(C)[nH]c12 64873751 LKGZTMPFVZTMKF-UHFFFAOYSA-N 241.294 2.538 0 40 BFAB CN1CCC[C@H]1c1cccnc1Br 72211597 HEHGGBCISFGVSD-VIFPVBQESA-N 241.132 2.611 0 40 BFAB COC(=O)c1ccc(-c2cc(C)ccc2OC)[nH]1 72226039 NMBGSCUWWSTKSI-UHFFFAOYSA-N 245.278 2.785 0 40 BFAB Cc1nonc1NC(=O)CCCC1CCCC1 74727147 LGNUCCXIAZTBGB-UHFFFAOYSA-N 237.303 2.677 0 40 BFAB CS[C@H]1CCC[C@H]1N(C)Cc1cccnc1 76146261 LALKKMRVWINDPE-OLZOCXBDSA-N 236.384 2.798 0 40 BFAB C(=C/c1nc(C2CC2)no1)\c1cscn1 78774237 TXQIMAFDQSLVSW-ONEGZZNKSA-N 219.269 2.574 0 40 BFAB Cc1cccc(C)c1NC(=O)[C@H]1CCCN(C)C1 82322993 VVOFTRMPKOOCAH-ZDUSSCGKSA-N 246.354 2.584 0 40 BFAB CCc1cccc2cc(CN)c(Cl)nc12 89261994 BRRJJKBHZPNUOM-UHFFFAOYSA-N 220.703 2.909 0 40 BFAB O=C([C@H]1CCCO1)N1CCCCc2ccccc21 89858396 WNUXIUMPRITNLY-CQSZACIVSA-N 245.322 2.535 0 40 BFAB CN1CCN(Cc2cccnc2)c2ccccc21 95431961 JHNANJQYJHEJTC-UHFFFAOYSA-N 239.322 2.538 0 40 BFAB Fc1ccc(-c2n[nH]c3c2[C@@H]2CC[C@H](C3)N2)cc1 96510273 MWOBHEQMFAEHSG-MNOVXSKESA-N 243.285 2.565 0 40 BFAB CC(C)c1noc(N2C[C@H]3CC=CC[C@H]3C2)n1 98013792 ZVTKARIFQGIXJP-PHIMTYICSA-N 233.315 2.595 0 40 BFAB O=C(C1CCCCCC1)N1C[C@H]2CC[C@H]1C2 100676842 CMDWWEGSSZGHPM-AAEUAGOBSA-N 221.344 2.968 0 40 BFAB COc1ccccc1N1Cc2ccccc2C1=O 167622181 KYWKUOLYJUNFAD-UHFFFAOYSA-N 239.274 2.856 0 40 BFAB O=C(O[C@@H]1CCc2cccnc21)c1ccco1 189372886 GGKPBULEFKCFRQ-SNVBAGLBSA-N 229.235 2.519 0 40 BFAB CCCN(c1ccccc1CC)[C@H](C)C(=O)O 204374949 HRVUAAFWYMIYFE-LLVKDONJSA-N 235.327 2.939 0 40 BFAB CCc1ccc(-n2cccc2C(=O)OC)cc1 223733587 FNSGXJLVQDCQEP-UHFFFAOYSA-N 229.279 2.826 0 40 BFAB Cc1cccc(-n2ncc3c2C[C@H](C)CC3=O)c1 228979831 PBNSOVMXFOBFOZ-NSHDSACASA-N 240.306 2.946 0 40 BFAB CCC(=O)[C@@H]1C(=O)[C@@]2(C)CC[C@H]1C2(C)C 253495318 DQYYHKHSFKGKOZ-ZDSQKVDBSA-N 208.301 2.607 0 40 BFAB C[C@]1(C(=O)NCc2ccccc2)C[C@H]2C=C[C@H]1C2 408720794 ZPBIMERUIDHMBO-DZKIICNBSA-N 241.334 2.905 0 40 BFAB O=C(O)c1cc(-c2cnc3ccccc3c2)on1 1535772515 QBZZRGRSCWVOEH-UHFFFAOYSA-N 240.218 2.588 0 40 BFAB CC(=O)c1sc(NC(=O)C(C)(C)C)nc1C 149139 FDOOXGOCOOATEZ-UHFFFAOYSA-N 240.328 2.639 0 40 BFAB Cc1ccccc1C(=O)N1CCC[C@@H](C)C1 304757 FSYHTKHZKFTJMX-LLVKDONJSA-N 217.312 2.867 0 40 BFAB CCNc1nnc(-c2ccc(OC)cc2)s1 413048 YDFONPQESSGLCZ-UHFFFAOYSA-N 235.312 2.646 0 40 BFAB CCC[C@H](O)c1cc(OC)ccc1OC 481520 MKRNUXCCGJVHPA-NSHDSACASA-N 210.273 2.537 0 40 BFAB COc1ccc2cc(/C=C/C(=O)O)ccc2c1 2504983 XWGUEUJOVZAMMF-XVNBXDOJSA-N 228.247 2.946 0 40 BFAB in-vitro c1coc(-c2ccc(C3OCCO3)cc2)c1 2525631 XSQWWBJOWVPDAI-UHFFFAOYSA-N 216.236 2.992 0 40 BFAB O=C(Nc1ccc2cn[nH]c2c1)c1cccs1 5323286 UJFYIINCJWBLGZ-UHFFFAOYSA-N 243.291 2.877 0 40 BFAB CC(C)c1ccccc1NC(=O)[C@@H]1CCCO1 5384805 MCYFYOCUNCVYQJ-ZDUSSCGKSA-N 233.311 2.928 0 40 BFAB CC(C)Cc1nc2[nH]nc(N)c2c2c1CCCC2 5817374 VWRXMSYHMZLBMJ-UHFFFAOYSA-N 244.342 2.617 0 40 BFAB CC(C)CCOc1ccccc1C(=O)O 12403758 NOKOOVDPFRWHJN-UHFFFAOYSA-N 208.257 2.810 0 40 BFAB in-vitro CCOCCOc1cccc(CNC(C)C)c1 19737976 CNMCDOSSKUVTEL-UHFFFAOYSA-N 237.343 2.600 0 40 BFAB Clc1cc(Cl)c2c(c1)[C@H]1O[C@H]1C2 19796233 SBSVJEMBNBKHOX-DTWKUNHWSA-N 201.052 2.989 0 40 BFAB COc1ccccc1CN[C@@H](C)C(C)C 19903214 ICRRRUGLVMHYCG-NSHDSACASA-N 207.317 2.829 0 40 BFAB CCCCc1nnc(NC(=O)C2CCC2)s1 23362056 ZFSUDIGSIDTEQG-UHFFFAOYSA-N 239.344 2.619 0 40 BFAB Cc1cc(C)nc(N2CCc3sccc3C2)n1 29443084 VCKHXIKUKRYRSR-UHFFFAOYSA-N 245.351 2.718 0 40 BFAB COc1cc2c(cc1Br)C(=O)CC2 34147136 ZQZKRGKMOOQLMY-UHFFFAOYSA-N 241.084 2.587 0 40 BFAB C[C@@H]1CC[C@@H]([S@@](=O)c2ccccc2)C(=O)C1 34187455 IOEXQTWDEVPGTC-CKUKBARFSA-N 236.336 2.552 0 40 BFAB in-vitro CCCn1c(CCCC(=O)O)nc2ccccc21 37323476 PIJRCJSADATLRV-UHFFFAOYSA-N 246.310 2.854 0 40 BFAB Cc1ccc(NC2(C(N)=O)CCCCC2)cc1 37941564 DEOHFUMTVQVZSG-UHFFFAOYSA-N 232.327 2.595 0 40 BFAB Cc1cc(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)on1 40473405 RNGUBFLCWHVTMN-NWDGAFQWSA-N 248.326 2.635 0 40 BFAB COc1cccc(C(=O)c2cc(C)cc(C)c2)n1 45028776 SNZGZXDUYLGBFT-UHFFFAOYSA-N 241.290 2.938 0 40 BFAB COc1c(C)cc(Cl)c(C)c1C(=O)O 57339740 QPSCWVKCWWAXIZ-UHFFFAOYSA-N 214.648 2.664 0 40 BFAB CC(C)CN1CCC[C@H]1c1ccc(N(C)C)nc1 72212600 PHBDWPRYOISTIG-AWEZNQCLSA-N 247.386 2.941 0 40 BFAB c1ccc(Oc2cncc([C@@H]3CCCN3)n2)cc1 72343761 XVXVRLSDPIZXLT-LBPRGKRZSA-N 241.294 2.693 0 40 BFAB Clc1ccc(Cl)c(CO[C@@H]2CCNC2)c1 72411050 GFFJMQMPFWQKJB-SNVBAGLBSA-N 246.137 2.872 0 40 BFAB NC1(c2cc(Br)ccc2F)CCC1 75934045 DOFUTYUXKOPVES-UHFFFAOYSA-N 244.107 2.926 0 40 BFAB NC1(c2ccc(Br)cc2F)CC1 75934170 NDHUWRXHQBUQGL-UHFFFAOYSA-N 230.080 2.536 0 40 BFAB in-vitro CCOC(=O)c1[nH]ccc1-c1ccccc1OC 92721671 ZUNZLCWFRZSXOP-UHFFFAOYSA-N 245.278 2.867 0 40 BFAB C[C@@H](NC(C)(C)C)[C@@H](C)NC(C)(C)C 95093144 KEPBYALUNVNGRN-NXEZZACHSA-N 200.370 2.540 0 40 BFAB CSCCOC(=O)c1ccc(SC)o1 96443014 TVLFCFSKVIEHHK-UHFFFAOYSA-N 232.326 2.521 0 40 BFAB C[C@H](N[C@H]1CCC[C@@H]1CO)c1ccccc1F 96478426 RGZVTHKOFJMHRZ-WDMOLILDSA-N 237.318 2.637 0 40 BFAB Cc1cccc(NC(=O)N2C[C@H]3C=C[C@H]2C3)c1 101916845 IKEJETUPQSTAFK-AAEUAGOBSA-N 228.295 2.787 0 40 BFAB O=C(O)COc1ccccc1Oc1ccccc1 139629754 ORVFTYBFRFPVDM-UHFFFAOYSA-N 244.246 2.942 0 40 BFAB CC(C)c1cc(C(F)(F)F)ncc1C(=O)O 199563006 VEEPSBCMSZSEEU-UHFFFAOYSA-N 233.189 2.922 0 40 BFAB CCCSc1nc(C)sc1C(=O)O 218308941 ZQFCWMNMZYARIR-UHFFFAOYSA-N 217.315 2.652 0 40 BFAB COCCNCc1cccn1-c1ccccc1C 223679540 JKAANGVEUJKFDC-UHFFFAOYSA-N 244.338 2.522 0 40 BFAB C[C@H](N[C@@H]1CSC1(C)C)C(C)(C)C 307108459 KAPWCVKQFRVOTQ-DTWKUNHWSA-N 201.379 2.905 0 40 BFAB COc1cccc(Cc2cc(Cl)ncn2)c1 409430545 MKNJSPUQNNPIOJ-UHFFFAOYSA-N 234.686 2.729 0 40 BFAB CC(=O)OC(C)(C)C(=O)c1cccc(C)c1C 575358124 DGRVZUNWVBJMMQ-UHFFFAOYSA-N 234.295 2.828 0 40 BFAB CC[C@H](O)c1ccc(N)cc1C(F)(F)F 585673000 XXZGMPLPDPOPQH-VIFPVBQESA-N 219.206 2.731 0 40 BFAB CC(=O)Nc1ccc2c(c1)Cc1cc(O)ccc1-2 394513 RAYOKTUAMJNEFH-UHFFFAOYSA-N 239.274 2.922 0 40 BFAB biogenic,in-vitro CCc1cccc(C)c1NC(=O)c1ccn(C)n1 483524 ZGWSWHJSURVRDM-UHFFFAOYSA-N 243.310 2.543 0 40 BFAB CC(C)CC(=O)Nc1ccc(N)cc1Cl 569969 RQTRTJSRJIDGAB-UHFFFAOYSA-N 226.707 2.907 0 40 BFAB Cc1cc(NC2=NCCO2)c2c(c1C)CCCC2 1639156 GTUOHYYXUFZLSU-UHFFFAOYSA-N 244.338 2.980 0 40 BFAB CCOc1cc(C=O)cc(Cl)c1OCC 2738406 JAPWMUVMMRCXJL-UHFFFAOYSA-N 228.675 2.950 0 40 BFAB in-vitro Cc1ccc(F)cc1NC(=O)c1ccccn1 3447023 AWKHPGKJGTXKAZ-UHFFFAOYSA-N 230.242 2.781 0 40 BFAB O=C(c1ccco1)N1CCC[C@@H](C(F)(F)F)C1 6508922 QIQAHLBGQNWKTC-MRVPVSSYSA-N 247.216 2.694 0 40 BFAB COc1ccc(NC(=O)C[C@@H]2C=CCC2)cc1 7917410 VZNISIUAMIBOJV-LLVKDONJSA-N 231.295 2.990 0 40 BFAB CCCCNC(=S)NCc1ccc(C)cc1 13814164 JGHYJPCZTXOEIF-UHFFFAOYSA-N 236.384 2.759 0 40 BFAB O=C(O)/C=C\C=C/c1ccc(Cl)cc1 16891480 XFRGOISOCUABHY-CCAGOZQPSA-N 208.644 2.994 0 40 BFAB Cc1ccc(CNCc2cccnc2)cc1F 16941730 VLNFXRXNQFTQKB-UHFFFAOYSA-N 230.286 2.819 0 40 BFAB CC[C@H](C)NC(=O)[C@@H]1C[C@@H](C)Nc2ccccc21 19434254 RMFKCPZVZSAUNM-DMDPSCGWSA-N 246.354 2.889 0 40 BFAB in-vitro CN(CC1(N)CCCCC1)C1CCCCC1 20073206 SBGHNSJEWJKOLN-UHFFFAOYSA-N 224.392 2.913 0 40 BFAB CC(=O)Cc1ccccc1C(F)(F)F 34087438 HEGSHYHOLHYKHD-UHFFFAOYSA-N 202.175 2.837 0 40 BFAB in-vitro CN(Cc1ccsc1)C(=O)c1ccoc1 40012979 JKLOPXVEYKIPNY-UHFFFAOYSA-N 221.281 2.613 0 40 BFAB CCSc1nnc(C2CC2)n1C1CC1 41351394 QCCWKSUQMUAAFF-UHFFFAOYSA-N 209.318 2.602 0 40 BFAB C[C@H]1CCCN([C@@H](C)c2nc(C3CC3)no2)C1 51150767 CGMAYWKBUIMRMM-UWVGGRQHSA-N 235.331 2.740 0 40 BFAB CCc1ccc([C@@H](O)c2ccccn2)cc1 53296914 XEGUGDANKVDKBN-CQSZACIVSA-N 213.280 2.726 0 40 BFAB CN(C)CCCNCc1cccc2ccccc12 57360164 SZBHSLSSGIAQIQ-UHFFFAOYSA-N 242.366 2.881 0 40 BFAB c1cnc(NCc2cc3ccccc3o2)nc1 65595949 GZWITFYIMIHWLX-UHFFFAOYSA-N 225.251 2.835 0 40 BFAB O=C(c1c[nH]c2ccc(F)cc12)C1CC1 71487671 MDLAYJAWOBGRHC-UHFFFAOYSA-N 203.216 2.900 0 40 BFAB Fc1c(S)cccc1Br 71792125 TVQPCUNOYOVJJP-UHFFFAOYSA-N 207.067 2.877 0 40 BFAB CCCN1CCC[C@@H]1c1cccc(C)n1 72211079 ZRCBWIFFXKVSNT-CYBMUJFWSA-N 204.317 2.937 0 40 BFAB Cc1nc(Cl)ccc1[C@H]1CCCN1C 72217886 PDSCVGKSNGOIAT-SNVBAGLBSA-N 210.708 2.810 0 40 BFAB CCCN1CCC[C@@H]1c1cnc(NC)cc1C 72219041 SMTPAHHHBWSFJG-CYBMUJFWSA-N 233.359 2.979 0 40 BFAB CN[C@@H]1CCc2c(Br)cccc21 82420039 DIZCQUBLYGWURJ-SNVBAGLBSA-N 226.117 2.656 0 40 BFAB CC(C)Oc1ccc(Br)c(N)c1 85389595 IYKJDJPXYBICRB-UHFFFAOYSA-N 230.105 2.819 0 40 BFAB CCCCOc1c(C)cc(C(N)=O)cc1C 95095309 ZUGXRJXXSGRUSS-UHFFFAOYSA-N 221.300 2.581 0 40 BFAB CCOC(=O)c1cc(F)ccc1C(F)F 95634609 OTJHOBYOHDSFDX-UHFFFAOYSA-N 218.174 2.940 0 40 BFAB Cc1ccc2c(Cl)nc(Cl)nc2n1 95643001 IPTCVMCPCBCUAE-UHFFFAOYSA-N 214.055 2.640 0 40 BFAB C[C@H](NCc1ccc(F)cc1)[C@H]1CCCOC1 96002108 GVULEYXSTSNZOQ-AAEUAGOBSA-N 237.318 2.730 0 40 BFAB CCO[C@@H]1CC2(CCNCC2)c2cc(F)ccc21 96241668 LQZOPJHHFZSUJQ-CQSZACIVSA-N 249.329 2.928 0 40 BFAB COC(=O)c1sc(Cl)c(Cl)c1OC 96511030 AJAGCWPQQBQFDT-UHFFFAOYSA-N 241.095 2.850 0 40 BFAB CC(C)[C@@H](N)CN1CC=C(c2ccccc2)CC1 96523740 KRUGHDNGJHKDFD-INIZCTEOSA-N 244.382 2.759 0 40 BFAB Cc1cncc(C(=O)Nc2c(C)cccc2O)c1 97233709 YFRSCAYVDUECIT-UHFFFAOYSA-N 242.278 2.656 0 40 BFAB CCCn1c(=N)sc2cc(F)ccc21 100968683 REXOHIXYBQRQEW-UHFFFAOYSA-N 210.277 2.731 0 40 BFAB Cc1cc(Br)ccc1-c1nc[nH]n1 113926930 JOQLJOWXHJMQFH-UHFFFAOYSA-N 238.088 2.543 0 40 BFAB Cc1ccc(CCNc2cccc(C)n2)cn1 157520874 HIPHJPCYFBJYRU-UHFFFAOYSA-N 227.311 2.748 0 40 BFAB CCC(CC)C(=O)N[C@@H](COC)c1ccco1 193119216 SCPFMGKJIJPMNZ-NSHDSACASA-N 239.315 2.520 0 40 BFAB C[C@H](c1ccccc1)N1CCN[C@@H]2CCCC[C@@H]21 225714956 IGOISJROXVLNGR-BMFZPTHFSA-N 244.382 2.964 0 40 BFAB COc1cccnc1N1CCC[C@H](C(C)C)C1 527983220 XAIDBLQHFDGABU-LBPRGKRZSA-N 234.343 2.963 0 40 BFAB C/C=C/C(=O)OCC(C)(C)C(F)(F)F 1083809121 IYLMXZGCQZFVEK-SNAWJCMRSA-N 210.195 2.694 0 40 BFAB CC(C)(C)O[C@@H]1C[C@H](CC(=O)O)C1(C)C 1535542743 WEBFZAVQBZMIDG-RKDXNWHRSA-N 214.305 2.691 0 40 BFAB O=C(Nc1cnc2ccccc2c1)c1cccnc1 190637 KXURZPIILZXOIW-UHFFFAOYSA-N 249.273 2.882 0 40 BFAB aggregator CC1(C)COC(Cc2ccccc2)OC1 1622040 IHCANIZNDDYSKJ-UHFFFAOYSA-N 206.285 2.628 0 40 BFAB CCC[C@H](O)[C@](O)(CC)C1CCCCC1 3845079 IAHRBSOAUDQABP-STQMWFEESA-N 214.349 2.869 0 40 BFAB biogenic CC(=O)[C@@H]1CC[C@]2(C)CCC(=O)[C@@H](C)[C@H]2C1 4984585 TWCJTIDWKFRZSQ-LEJCRSTHSA-N 222.328 2.997 0 40 BFAB C[C@H]1CCC[C@H](C)N1NC(=O)c1ccccc1 6853258 VZVLPRGJSSZVAB-RYUDHWBXSA-N 232.327 2.594 0 40 BFAB Cc1nc2ccccc2n1-c1ccc(CN)cc1 12395423 JSIPQQYAYITNDE-UHFFFAOYSA-N 237.306 2.793 0 40 BFAB Cc1ccc(-c2nnc3n2CCCCC3)cc1N 15554273 VYMNFXLUICXQFP-UHFFFAOYSA-N 242.326 2.562 0 40 BFAB COC(=O)c1cccc(-c2cccc(C=O)c2)c1 16945816 CPAIYDIGLIGAEN-UHFFFAOYSA-N 240.258 2.953 0 40 BFAB COC[C@H](C)N[C@H](C)c1ccccc1F 19904650 QKXUCCHOOKZQJT-VHSXEESVSA-N 211.280 2.511 0 40 BFAB Cc1ccccc1[C@H](CN)N1CCC[C@H](C)C1 22172747 WDJXNZUPDHCAGE-WFASDCNBSA-N 232.371 2.727 0 40 BFAB Cc1ccc(NC(=O)N[C@@H](C)C2CC2)cc1 23990206 UUAMFQYJHNXPCL-JTQLQIEISA-N 218.300 2.915 0 40 BFAB CCn1ccc(NC(=O)Nc2ccccc2C)n1 27929974 ZFIRGWRDPZNRCD-UHFFFAOYSA-N 244.298 2.855 0 40 BFAB Cc1cccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)n1 32909084 WGUFALSKPWOLCP-PHIMTYICSA-N 232.327 2.508 0 40 BFAB Cc1nc(N)sc1Cc1cccc(F)c1 35250900 YXCGPFIAEVMHEW-UHFFFAOYSA-N 222.288 2.764 0 40 BFAB in-vitro CCN[C@H](CC)c1cc(OC)ccc1OC 35541416 YRQVQMORSRDOIT-GFCCVEGCSA-N 223.316 2.764 0 40 BFAB N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 37483341 JVTFJIMHNCNHEK-SSDOTTSWSA-N 231.126 2.531 0 40 BFAB in-vitro Brc1cnn(Cc2ccsc2)c1 38074856 GFKVTTOJJRVSTH-UHFFFAOYSA-N 243.129 2.755 0 40 BFAB CCOC(=O)c1cc(OC)c2ccoc2c1 38313241 BZDCWOTVJIMLPE-UHFFFAOYSA-N 220.224 2.618 0 40 BFAB COCc1cccc(C(=O)N2CCCCCC2)c1 39984362 YCJVLOCKPPKLQK-UHFFFAOYSA-N 247.338 2.849 0 40 BFAB Cc1cc(CN2CCc3ccccc3C2)on1 40013563 RLFCACUBMLKBTD-UHFFFAOYSA-N 228.295 2.541 0 40 BFAB Cc1noc(C(C)C)c1C(=O)N1CCCCC1 40465273 BKAQOSHJOMLOKT-UHFFFAOYSA-N 236.315 2.733 0 40 BFAB CN(Cc1ccccc1)C(=O)CC(F)(F)F 40496603 MLHIWEOJDOMOKD-UHFFFAOYSA-N 231.217 2.597 0 40 BFAB CC(C)(C)c1cc(Cl)ccc1OC1CNC1 42769651 MADOSDOFQJLIOJ-UHFFFAOYSA-N 239.746 2.988 0 40 BFAB c1coc(CSC[C@H]2CCCCN2)c1 43495332 GJRBXYDPRGBMSJ-SNVBAGLBSA-N 211.330 2.655 0 40 BFAB CCOC(CCCO[C@H]1CCCCO1)OCC 43503346 FSLSQNVTSZWCPW-ZDUSSCGKSA-N 246.347 2.709 0 40 BFAB COc1ccc(CN(C)C(=O)C2CCCC2)cc1 44818783 XSXYYMSQZJOYHU-UHFFFAOYSA-N 247.338 2.844 0 40 BFAB CCc1ccc(C(=O)N2CCCCCC2)o1 46417531 PDPVQDWDEVDLAX-UHFFFAOYSA-N 221.300 2.858 0 40 BFAB CC[C@@H](O)Cc1ccc(F)cc1Cl 53784333 BUMMGALEVMEOHB-SECBINFHSA-N 202.656 2.793 0 40 BFAB COCCN(C1CC1)[C@@H]1CCc2ccccc21 68333605 CISXSLUNHZQBTO-OAHLLOKOSA-N 231.339 2.785 0 40 BFAB O=Cc1cc(-c2cccc(Cl)c2)on1 68675319 NSWNZWLJORKXMD-UHFFFAOYSA-N 207.616 2.808 0 40 BFAB Nc1nccc(-c2ccccc2)c1Cl 71256200 NBLFXNGGQIYRMI-UHFFFAOYSA-N 204.660 2.984 0 40 BFAB CCN(C)c1ccc([C@@H]2CCCN2CC)cn1 72212708 GVBQEUDIBWOXLC-ZDUSSCGKSA-N 233.359 2.695 0 40 BFAB C[C@@H]1CO[C@@H](c2ccc(Br)cc2)O1 72232643 WOCBWSCCRJGLJG-GMSGAONNSA-N 243.100 2.883 0 40 BFAB Cn1c(Cl)nc2c(Br)cccc21 80441580 RAIXLQWLPQPVME-UHFFFAOYSA-N 245.507 2.989 0 40 BFAB in-vitro CN(C)c1ccc(N(C)Cc2cccnc2)cc1 89326573 GMRJELKWBSRHSB-UHFFFAOYSA-N 241.338 2.784 0 40 BFAB CNC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl 89385839 WIGOYGLWPDYVGT-RKDXNWHRSA-N 244.121 2.843 0 40 BFAB O=C(c1cnc(-c2ccoc2)s1)N1CCCC1 95399691 BMSAWXUZALWAOB-UHFFFAOYSA-N 248.307 2.639 0 40 BFAB O=C(O)/C=C/c1cc(F)c(Cl)c(F)c1 96029415 XWQMRFBOVAOGAA-OWOJBTEDSA-N 218.586 2.716 0 40 BFAB COc1c(C=O)ccc2c1C=CC(C)(C)O2 137075271 CGARGBKIIXQYSA-UHFFFAOYSA-N 218.252 2.692 0 40 BFAB CC(C)N1C[C@H]2CC[C@@H](Oc3cccnc3)[C@H]2C1 205703811 OXSHTAWNZGSTFS-VHDGCEQUSA-N 246.354 2.579 0 40 BFAB CC(C)CCO[C@H]1CN[C@@H](CC(C)C)C1 217860547 BUMMCWGQGWTXCH-QWHCGFSZSA-N 213.365 2.826 0 40 BFAB CCC(CC)(CC)CNC1CSC1 308237972 RLIJYIWMRPPRFI-UHFFFAOYSA-N 201.379 2.908 0 40 BFAB Fc1cccc(Cl)c1CSC1=NCCN1 130229 BGCUMNHQGSCINR-UHFFFAOYSA-N 244.722 2.672 0 40 BFAB CN1N=Nc2ccccc2[C@@]1(O)c1ccccc1 1563182 ULNAYDRZRQZFPM-AWEZNQCLSA-N 239.278 2.824 0 40 BFAB COC(=O)c1ccc(SCCC(C)=O)cc1 1572307 IXAKCQZMGZLRGN-UHFFFAOYSA-N 238.308 2.544 0 40 BFAB C[C@H]1C[C@H](OC(=O)c2ccccc2)CCC1=O 1704111 MFLPVUSCYWWBBD-CMPLNLGQSA-N 232.279 2.601 0 40 BFAB CCC[C@@H](CN(C)C)C(=O)c1ccccc1 1733147 DWCOQCYKJHJUSI-ZDUSSCGKSA-N 219.328 2.847 0 40 BFAB NCCCc1c[nH]c2ccc(Cl)cc12 1901760 LHRVIXGXFXJLTO-UHFFFAOYSA-N 208.692 2.713 0 40 BFAB biogenic CCCCC(=O)Nc1nnc(SCC)s1 4072011 BTWDZYTUHIPKST-UHFFFAOYSA-N 245.373 2.779 0 40 BFAB CC1(C)[C@H]2CCC(=O)[C@@]3(C)CC[C@](C)(O)[C@H]3[C@@H]21 4104715 GMEVHQNPFFEYHN-FASAMLHVSA-N 236.355 2.789 0 40 BFAB biogenic,in-vitro CCCNC(=O)Cc1c(F)cccc1Cl 4704416 XYDPKWONBYEICV-UHFFFAOYSA-N 229.682 2.548 0 40 BFAB O[C@@H]1c2ccccc2[C@H]2[C@@H](O)c3ccccc3[C@H]12 5813125 ZHODMXFAYOBKEZ-GEEKYZPCSA-N 238.286 2.648 0 40 BFAB CC(=O)n1cc(C)s/c1=N\C1CCCCC1 5815905 OMLXGWVZVGTVNT-SEYXRHQNSA-N 238.356 2.752 0 40 BFAB CN(C)Cc1csc2nc3ccccc3n12 5967953 UHQDGODTMWICGH-UHFFFAOYSA-N 231.324 2.611 0 40 BFAB Cc1nc(-c2ccccc2)ccc1C(=O)N(C)C 6825120 ROGSHUQQOHZHDY-UHFFFAOYSA-N 240.306 2.759 0 40 BFAB CCc1cccc(C)c1NC(=O)C1CCOCC1 9113467 IETCFORWAYESCL-UHFFFAOYSA-N 247.338 2.923 0 40 BFAB Cc1cccc(NC(=O)NCCc2ccco2)c1 9218502 LSNWOQMIYOEPDR-UHFFFAOYSA-N 244.294 2.952 0 40 BFAB Cc1occc1-c1nc2n(n1)C[C@H]1C=CC=C[C@H]21 11667644 IEKXYVIWLVCFPS-PWSUYJOCSA-N 239.278 2.686 0 40 BFAB C[C@@H](NC(=O)NCC1CC1)c1ccccc1F 12985366 DDJWEOWIZMAABG-SECBINFHSA-N 236.290 2.596 0 40 BFAB C[C@@H](O)c1ccccc1OC(F)(F)F 15442973 LWOXLMRGAQEYMM-ZCFIWIBFSA-N 206.163 2.639 0 40 BFAB CCN(CC)/C(=C\Cl)Nc1ccccn1 17211050 RCPWQPLWCDSPOO-LUAWRHEFSA-N 225.723 2.873 0 40 BFAB Cc1csc(Nc2cccc(N)c2)n1 19502378 HMCWAKHAZBKTQR-UHFFFAOYSA-N 205.286 2.777 0 40 BFAB in-vitro Cc1ccc(NC(=S)Nc2cc(C)n[nH]2)cc1 20375585 YBYBLUOLOPYRAL-UHFFFAOYSA-N 246.339 2.835 0 40 BFAB OC1=Nc2n[nH]cc2[C@@H](c2c(F)cccc2F)C1 20745795 DLGQTZPIINOLRL-LURJTMIESA-N 249.220 2.812 0 40 BFAB O=C(O)CCOc1cccc(C(F)(F)F)c1 22144935 PWGAEHHONPRIHO-UHFFFAOYSA-N 234.173 2.559 0 40 BFAB C[C@H](NC(=O)CCC1CCCC1)c1cnn(C)c1 27919139 ODDJJBQMXKAPCC-NSHDSACASA-N 249.358 2.568 0 40 BFAB O=C(Nc1ccc2c(c1)CCO2)c1ccccc1 32787449 XIQFJDRNCDSCCY-UHFFFAOYSA-N 239.274 2.874 0 40 BFAB COc1ccc2c(c1)CCCN2C(=O)[C@@H]1C[C@@H]1C 32848574 MTOJIVWCQPDXOE-GXFFZTMASA-N 245.322 2.630 0 40 BFAB O=C(OCc1ccccc1)C1=CCCC1 34108317 FKTLGHDNXFRODS-UHFFFAOYSA-N 202.253 2.840 0 40 BFAB CCC[C@H](C)N1Cc2cccc(N)c2C1 36683509 WUXZIMTVPUKZAI-JTQLQIEISA-N 204.317 2.773 0 40 BFAB in-vitro CCOc1c(F)cc(C=O)cc1Cl 38529972 PFMVCTKZAPAVHC-UHFFFAOYSA-N 202.612 2.690 0 40 BFAB in-vitro Nc1ccc2c(c1)CCC(=O)N2CC1CCCC1 42375036 MZIRMBLKXDNBMF-UHFFFAOYSA-N 244.338 2.738 0 40 BFAB in-vitro CN(Cc1ccco1)C(=O)C[C@H]1C=CCC1 48251567 UCTZHXUDRJNBEZ-NSHDSACASA-N 219.284 2.594 0 40 BFAB Fc1ccc(-c2csc(-c3nc[nH]n3)n2)cc1 61844303 YFODZIGTKUPVPB-UHFFFAOYSA-N 246.270 2.734 0 40 BFAB CCCCN1CCCC[C@@H]1c1ccc(N)nc1 72212384 HQAVLPJFOFZYNG-CYBMUJFWSA-N 233.359 2.991 0 40 BFAB c1ccc(CN2CCC[C@H]2c2cc[nH]n2)cc1 72381195 YKURERBCNYSERC-AWEZNQCLSA-N 227.311 2.747 0 40 BFAB COc1ccc(OC(=O)CC(C)C)cc1OC 76091018 WRZWHSXUHNMAAT-UHFFFAOYSA-N 238.283 2.655 0 40 BFAB Cc1cc(S[C@H](C)C(C)C)n2ncnc2n1 78588822 AFGQFBSTHPXYRP-SECBINFHSA-N 236.344 2.569 0 40 BFAB CC(C)(C)C(=O)N1CCC[C@@H]1c1cccnc1 81561047 PCKDUVFFSDAJTO-GFCCVEGCSA-N 232.327 2.791 0 40 BFAB in-vitro Cc1ccc2cc(Cl)cc(C(=O)O)c2n1 82769957 KTHJIDBJBJUURV-UHFFFAOYSA-N 221.643 2.895 0 40 BFAB c1cc(-c2cn[nH]c2)ccc1OC1CCOCC1 85390965 POCXUQCGTLUHAC-UHFFFAOYSA-N 244.294 2.635 0 40 BFAB O=C1CCC[C@]12CCN(Cc1ccccc1)C2 91304762 XRTIVWOCSUOHPQ-OAHLLOKOSA-N 229.323 2.632 0 40 BFAB in-vitro CN1CCC[C@@H]1CCSCC(=O)C(C)(C)C 95442180 FOYOSJOYXIXZCX-LLVKDONJSA-N 243.416 2.819 0 40 BFAB Sc1ccccc1CN1CCSCC1 95738728 FGFNELVZYAHKDS-UHFFFAOYSA-N 225.382 2.524 0 40 BFAB CC(C)CCOc1cc(F)ccc1CO 95739749 WCASZMTUPKHEKG-UHFFFAOYSA-N 212.264 2.743 0 40 BFAB C[C@@H](C(=O)NC1CCCC1)c1ccccc1 96026224 LSNCNPGUJAFNAO-LLVKDONJSA-N 217.312 2.849 0 40 BFAB Cn1c(=O)c(F)cc2cccc(C(C)(C)C)c21 96171837 PCRJXOCKIQCIDR-UHFFFAOYSA-N 233.286 2.975 0 40 BFAB CCCOc1c(C(=O)OC)oc2ccc(N)cc12 96510862 AGOPAYKTBXMMNH-UHFFFAOYSA-N 249.266 2.590 0 40 BFAB Cc1cccc(C2=N[C@H](C(C)(C)C)CO2)n1 98092081 NHWBZSGKOQHPDW-NSHDSACASA-N 218.300 2.582 0 40 BFAB CCN(Cc1cccc(O)c1)C(=O)C(C)(C)C 98175017 FGRZKTONEQDDNU-UHFFFAOYSA-N 235.327 2.787 0 40 BFAB CC(C)n1cc(CNCc2ccccc2)cn1 226238120 NQALGPLNPWDIHT-UHFFFAOYSA-N 229.327 2.754 0 40 BFAB Fc1cccc(Cc2noc([C@H]3CCCO3)n2)c1 252489372 JPNAGBGNZSCEHX-LLVKDONJSA-N 248.257 2.651 0 40 BFAB CCOC(=O)[C@]1(C)C=CCc2cccc(OC)c21 328578905 ZGRWMRRWBMHJHE-OAHLLOKOSA-N 246.306 2.628 0 40 BFAB Oc1[nH]c(=S)nnc1-c1ccc(Cl)cc1 164602 WZQDZVLDLWWPCH-UHFFFAOYSA-N 239.687 2.560 0 40 BFAB Cc1ccc2c(c1)c(C)c1n2C[C@H]2CO[C@]1(C)O2 447862 OMHIUIUABDCYDJ-XHDPSFHLSA-N 243.306 2.860 0 40 BFAB biogenic COc1ccc(Nc2ccccn2)cc1 1603127 DBUBQNMWLVIDOH-UHFFFAOYSA-N 200.241 2.834 0 40 BFAB OCc1ccccc1C1CSCSC1 1633553 LJONFHJZAMXFIF-UHFFFAOYSA-N 226.366 2.700 0 40 BFAB Nc1nc(-c2ccccc2)c2ccccc2n1 1698178 TXPOSODBCCBORG-UHFFFAOYSA-N 221.263 2.879 0 40 BFAB Clc1ccc(CC2OCCO2)cc1Cl 2529057 IZSWDYBHXBQDFJ-UHFFFAOYSA-N 233.094 2.909 0 40 BFAB O=C(O)c1c(F)c(F)c(F)c(Cl)c1F 2585570 FYAPWZAOGRABCC-UHFFFAOYSA-N 228.528 2.595 0 40 BFAB CCCc1cc(=O)[nH]c(Nc2cccc(C)c2)n1 5012131 MFFYBQLXRASOHU-UHFFFAOYSA-N 243.310 2.774 0 40 BFAB CC(=O)O[C@@H](c1ccc2c(c1)OCO2)C(C)C 5458026 DSNCSMSFBFYOPB-CYBMUJFWSA-N 236.267 2.676 0 40 BFAB in-vitro COc1ccc(NC(=O)[C@H]2C[C@H]2C)cc1Cl 5463850 NFJNXCKNGOHUAQ-APPZFPTMSA-N 239.702 2.943 0 40 BFAB NC[C@@H](Oc1ccccc1)c1ccccc1 5947637 UGYLBIAQUSWTRS-CQSZACIVSA-N 213.280 2.765 0 40 BFAB in-vitro C[C@H]1CN(Cc2ccccc2)C(=N)S1 6495128 LLEWXIGWFKBQSF-VIFPVBQESA-N 206.314 2.559 0 40 BFAB Cc1cc(C(=O)Nc2cccc(C)c2C)on1 6788941 DHTLBNRDRWDCJJ-UHFFFAOYSA-N 230.267 2.852 0 40 BFAB CC[C@@H](CC(=O)O)c1ccc(OC)cc1 11628786 PWZOXDFQHQZWLK-VIFPVBQESA-N 208.257 2.664 0 40 BFAB in-vitro Cc1ccc2nc(-c3ccccn3)[nH]c2c1 12481420 HFYFOFMVURXVSD-UHFFFAOYSA-N 209.252 2.933 0 40 BFAB in-vivo N[C@@H]1CCN(Cc2ccc(Cl)c(Cl)c2)C1 22942143 KHSDVPAAMUJDFE-SECBINFHSA-N 245.153 2.526 0 40 BFAB Oc1ccc(-c2cn3c(n2)CCCC3)cc1 26506692 AQXNTPWTUUTQJD-UHFFFAOYSA-N 214.268 2.592 0 40 BFAB O=C(Nc1ccc(-n2cccn2)cc1)C1CCC1 27917810 AVVXICBHNRVBNL-UHFFFAOYSA-N 241.294 2.611 0 40 BFAB CSc1ccccc1-c1ncccc1C(N)=O 32586997 FREIGKCLLFNFQZ-UHFFFAOYSA-N 244.319 2.569 0 40 BFAB C[C@@H]1C[C@H]1C(=O)Nc1ccccc1N1CCCC1 32678858 MHRBMOUCOGEZLR-VXGBXAGGSA-N 244.338 2.881 0 40 BFAB CCC(=O)N1CCc2sccc2[C@@H]1CC 32781320 CHLIPEXJEHNWDH-JTQLQIEISA-N 223.341 2.994 0 40 BFAB CC(C)NCc1cccc(OC(F)F)c1 34816632 MTHNKPWSCCYVAF-UHFFFAOYSA-N 215.243 2.786 0 40 BFAB Nc1nn(CC2CCC2)c2ccc(F)cc12 40449023 WPILEQMYWRPTRW-UHFFFAOYSA-N 219.263 2.558 0 40 BFAB Cc1ccsc1CN(C)C(=O)c1ccco1 40461206 MURQALYHEUHRFV-UHFFFAOYSA-N 235.308 2.922 0 40 BFAB CC(C)(C)NC(=O)CCCOc1ccccc1 42137364 OXFRJZYMUPYMIB-UHFFFAOYSA-N 235.327 2.760 0 40 BFAB Cc1cccnc1NC(=O)NCc1cccs1 42838907 AWROITUGPSOCKV-UHFFFAOYSA-N 247.323 2.773 0 40 BFAB CN1[C@@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 57218370 NNCVFQYJJLNXGD-BLBXNVQISA-N 237.302 2.925 0 40 BFAB OCC[C@@H](c1ccccc1)C(F)(F)F 59078177 PHGDLNUUBPOOAV-VIFPVBQESA-N 204.191 2.715 0 40 BFAB COc1ccc(C(=O)CCSC)cc1F 69984276 JVIPIBQSPOIXMQ-UHFFFAOYSA-N 228.288 2.770 0 40 BFAB CCCOc1ccc2cc(C(=O)O)oc2c1 72219719 PQTCBHPLRXGNLP-UHFFFAOYSA-N 220.224 2.920 0 40 BFAB COc1cccc(-c2c[nH]nc2[C@H]2CCCN2)c1 72379959 UKUKVTKYOLSSGP-CYBMUJFWSA-N 243.310 2.510 0 40 BFAB c1cnc2ccc(OC[C@H]3CCOC3)cc2c1 78990589 HWIXUGXUUCXERO-NSHDSACASA-N 229.279 2.650 0 40 BFAB Fc1cc2c(cc1Br)CCN2 82370089 VPAXVAXDAQLWIH-UHFFFAOYSA-N 216.053 2.556 0 40 BFAB CCCOc1ccc(Cl)cc1CCO 83231073 WUCNLWWUFMRCFX-UHFFFAOYSA-N 214.692 2.664 0 40 BFAB Cc1ccc(C)c(CNc2ncccn2)c1 83347520 BUGYWFHIQOZEBS-UHFFFAOYSA-N 213.284 2.706 0 40 BFAB C[C@]1(Cc2cc(F)ccc2F)CCCN1 85698236 HGPDPJOAHAOONS-GFCCVEGCSA-N 211.255 2.649 0 40 BFAB C[C@H]1CCC(=O)[C@H](Cc2cccnc2)C1 86355073 XHGVXYJZMBMEPR-JQWIXIFHSA-N 203.285 2.629 0 40 BFAB CCC[C@@H](O)Cc1ccc(F)c(F)c1 87447859 KLYINYNDMSXADA-SECBINFHSA-N 200.228 2.668 0 40 BFAB C[C@H]1CN(CCCCCCO)C(C)(C)C1 89920349 XHOHTEPLGIZVNY-GFCCVEGCSA-N 213.365 2.660 0 40 BFAB CC(C)Oc1cccc(Br)c1O 90372281 CFQDIVDHBJMOCF-UHFFFAOYSA-N 231.089 2.942 0 40 BFAB Fc1cc(Br)ccc1-n1ccnc1 95915722 QFSXRHVDBUJNJW-UHFFFAOYSA-N 241.063 2.774 0 40 BFAB Cc1cc(NC(=O)NC(C2CC2)C2CC2)ccn1 96489204 KEOVMBRQSCCLTB-UHFFFAOYSA-N 245.326 2.700 0 40 BFAB CCCCN(CCCC)C[C@@H](N)CCSC 96523879 BAJOUZJRQIYZEX-ZDUSSCGKSA-N 246.464 2.969 0 40 BFAB CSc1cc(C(=O)OCc2ccoc2)ccn1 97048964 ZXLHUQWLZBEXFU-UHFFFAOYSA-N 249.291 2.754 0 40 BFAB CC(C)[C@H](N)CCN1CC[C@H]2CCCC[C@@H]2C1 110764201 MLVPZLPJAZYUCD-RBSFLKMASA-N 238.419 2.872 0 40 BFAB O=C(CCC(F)(F)F)N1C[C@H]2CCC[C@H]2C1 152392381 CMONFOCYWUQYKL-DTORHVGOSA-N 235.249 2.587 0 40 BFAB O=C(O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1F 162776840 ZXURYKUVEGERFH-HTQZYQBOSA-N 214.623 2.667 0 40 BFAB COC[C@@](C)(NCc1cc[nH]c1)c1ccccc1 187392420 AYCWCGJDDZQBOZ-OAHLLOKOSA-N 244.338 2.666 0 40 BFAB CCc1ccc(-n2cccc2CO)cc1 223733428 VECQUKJRDFHDET-UHFFFAOYSA-N 201.269 2.532 0 40 BFAB COC(=O)c1cc(-c2cc(C)cc(C)c2)on1 260189900 PSHHFKVHCCLXLY-UHFFFAOYSA-N 231.251 2.745 0 40 BFAB COC(=O)c1ccc2[nH]c(C(F)(F)F)cc2c1 261158939 WAFPRZKUKYKZFS-UHFFFAOYSA-N 243.184 2.973 0 40 BFAB C[C@@H](Oc1cc2c(nn1)CCCC2)C1CC1 585652570 PLQHEXXEKWCGSZ-SECBINFHSA-N 218.300 2.533 0 40 BFAB Cc1nnc(OCc2ccccc2C)s1 585652714 TUURCRSJHSJYQD-UHFFFAOYSA-N 220.297 2.734 0 40 BFAB COC(=O)c1ccc(OC)cc1C(C)C 669367725 AVYRCOVNVGSBJH-UHFFFAOYSA-N 208.257 2.605 0 40 BFAB CC(=O)NC[C@H](c1ccsc1)c1ccco1 669412065 ALAKSSIBOVHITC-LLVKDONJSA-N 235.308 2.609 0 40 BFAB CC(C)(O)c1ncc(Cl)cc1C(F)(F)F 675082098 AFUZLGMJNRWNKF-UHFFFAOYSA-N 239.624 2.981 0 40 BFAB O[C@H](c1c(Cl)cncc1Cl)C(F)(F)F 1536083632 MMYPVCBSTALUJD-ZCFIWIBFSA-N 246.015 2.984 0 40 BFAB CCCOC(=O)N[C@H](C)CCCN(CC)CC 1690146 XOHSMIBQMJBBCS-GFCCVEGCSA-N 244.379 2.633 0 40 BFAB O=C(Nc1ccc(O)cc1)Nc1ccc(O)cc1 1708325 UPTYAUVZYHYTSF-UHFFFAOYSA-N 244.250 2.742 0 40 BFAB Oc1ccc(OCC(F)(F)F)cc1Cl 2540205 OFBKLMDDKYZENG-UHFFFAOYSA-N 226.581 2.987 0 40 BFAB Cc1cc(OCC(N)=O)c(C(C)C)cc1Cl 3217109 BVMGWHWQGJTHRM-UHFFFAOYSA-N 241.718 2.636 0 40 BFAB O[C@H]1c2ccccc2-c2ccc(F)cc21 4919012 GNXVXOGCRALAOI-ZDUSSCGKSA-N 200.212 2.888 0 40 BFAB C[C@@H]1c2[nH]c3ccccc3c2CCN1C 4974253 VENAANZHUCMOGD-SECBINFHSA-N 200.285 2.717 0 40 BFAB biogenic CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[C@H]1C=CC(=O)O1 5515865 URWJVUPZIGIVFZ-GFQSEFKGSA-N 238.327 2.903 0 40 BFAB CC(=O)c1sc(NC(C)(C)C)nc1C 7844597 XSYZUWBGRMFQBY-UHFFFAOYSA-N 212.318 2.865 0 40 BFAB Cc1ccc(NC(=O)c2cnn(C)c2C)cc1C 8747690 ZSBVFPFADASZQJ-UHFFFAOYSA-N 243.310 2.598 0 40 BFAB CCSC(=S)n1cnc2ccccc21 12542633 KFIJLNHRLTWSHF-UHFFFAOYSA-N 222.338 2.922 0 40 BFAB Cc1ccc(C(=O)Nc2nnc(C3CC3)s2)o1 12593823 MKAUKCOGXPDYGX-UHFFFAOYSA-N 249.295 2.569 0 40 BFAB CCC(C)(C)NCc1ccc(OC)cc1 13718091 LXCDPSOJNFFFGO-UHFFFAOYSA-N 207.317 2.973 0 40 BFAB Cc1cccc(C(=O)NCc2ccc(C)n2C)c1 23574844 GQOKUZHWDZNPEN-UHFFFAOYSA-N 242.322 2.572 0 40 BFAB Cc1ccc2c(CC(=O)N3CCCC3)coc2c1 27587396 PPPACLZRWPODHH-UHFFFAOYSA-N 243.306 2.906 0 40 BFAB CN(C)C(=O)N(C)Cc1ccc(Cl)s1 32860266 LNVKPWPQYSQJNI-UHFFFAOYSA-N 232.736 2.515 0 40 BFAB O=C(O)c1csc(Nc2ccc(F)cc2)n1 33507836 LMPVEGRCFNNGAH-UHFFFAOYSA-N 238.243 2.724 0 40 BFAB CC[C@@H](C(=O)Nc1cn[nH]c1)c1ccccc1 35237910 WGYQUVQERWJQEQ-GFCCVEGCSA-N 229.283 2.542 0 40 BFAB CC(C)CC(=O)c1ccc2c(c1)OCO2 36157873 PYJUDLMZSCWVRX-UHFFFAOYSA-N 206.241 2.644 0 40 BFAB CC(=O)c1ccc(OCC(F)F)cc1 37755989 QEPTZYTZSSOSKQ-UHFFFAOYSA-N 200.184 2.533 0 40 BFAB O=C(O)c1cnc2oc(-c3ccccc3)nc2c1 40449305 NHMZFSOMFQBYDM-UHFFFAOYSA-N 240.218 2.588 0 40 BFAB COC(=O)/C=C/c1cc(C)c(C)cc1C 58787352 OGTDXGAZQYTAEB-AATRIKPKSA-N 204.269 2.798 0 40 BFAB O=C(NCC(F)(F)F)Nc1ccc(F)cc1 59942325 SPATVDAJJBDVFG-UHFFFAOYSA-N 236.168 2.510 0 40 BFAB OCCCc1ccccc1OC(F)(F)F 62711167 BMHNLFKGFMUFNY-UHFFFAOYSA-N 220.190 2.510 0 40 BFAB C[C@H]1CCC[C@H](C)N1C(=O)/C=C/c1ccccn1 69580599 WSZUVDRMUVAGNK-MZWKFTRPSA-N 244.338 2.884 0 40 BFAB C[C@@H](O)[C@@H]1CCCCN1Cc1cccc(F)c1 69703300 LSZUGIDZUKEUDY-RISCZKNCSA-N 237.318 2.561 0 40 BFAB CC[C@@H]1Cc2c(Br)cccc2CN1 70821237 LJOHULKPUVFQKG-SECBINFHSA-N 240.144 2.873 0 40 BFAB CNCc1cnc(NCc2ccccc2)cc1C 72223381 LILCZWMTDNVOBV-UHFFFAOYSA-N 241.338 2.722 0 40 BFAB Cc1ccc(NC(=O)C2CCN(C)CC2)c(C)c1 74713315 SSHSUQGCLZASRD-UHFFFAOYSA-N 246.354 2.584 0 40 BFAB O=C(CF)c1cccc(Br)c1 81194568 DJJUHIWEAHUSHT-UHFFFAOYSA-N 217.037 2.601 0 40 BFAB Cn1ccc2cccc([C@@H]3CCCN3)c21 82912617 VBSGUZDZMWOYME-LBPRGKRZSA-N 200.285 2.603 0 40 BFAB CSc1ccc(CNc2nncs2)cc1 83365159 IZYQNXFPYPNMKY-UHFFFAOYSA-N 237.353 2.872 0 40 BFAB Cc1n[nH]c2cccc(C(F)(F)F)c12 89195841 TXDQUFKSJDQZFL-UHFFFAOYSA-N 200.163 2.890 0 40 BFAB COCCSCc1cn2c(C)cccc2n1 95404311 NMZXKARWJBIMOF-UHFFFAOYSA-N 236.340 2.522 0 40 BFAB CO[C@H]1CCC[C@@H](OC(=O)CC(C)(C)C)C1 97043843 IHIGGSOXCMITHM-WDEREUQCSA-N 228.332 2.923 0 40 BFAB Cc1cccc(N[C@H](C)C[C@H](O)c2ccco2)n1 97096515 FUMYGTDTCJEEJB-NEPJUHHUSA-N 246.310 2.907 0 40 BFAB Cc1cc(Cl)cc(C(=O)Nc2cnccn2)c1 97379862 GJNJONPNVYBREQ-UHFFFAOYSA-N 247.685 2.691 0 40 BFAB CC(C)Oc1ccc(F)c(F)c1C=O 115051630 UYQUIVNHTRFGKW-UHFFFAOYSA-N 200.184 2.565 0 40 BFAB CCN1CCCCC[C@@H]1[C@@H]1CCCC1=O 217464212 XXBZXXWRTLZNRL-NWDGAFQWSA-N 209.333 2.620 0 40 BFAB Cc1ccc(N[C@H]2CCCC[C@@H]2N)c(C)c1 218861555 LPIYJBLJVCPZGY-JSGCOSHPSA-N 218.344 2.985 0 40 BFAB C[Si](C)(C)c1ccc(C(=O)O)c(Cl)c1 219790923 RJCDFERAJCZUNC-UHFFFAOYSA-N 228.751 2.583 0 40 BFAB CC[C@H](C(=O)O)N(C)c1cc(C)ccc1C 224982819 GORKYZRATYKBJE-LLVKDONJSA-N 221.300 2.603 0 40 BFAB CCO[C@H](Cc1cccc(Cl)c1C)C(=O)O 225072434 NKUCOXJIYOUSQB-LLVKDONJSA-N 242.702 2.681 0 40 BFAB C[C@H](O)[C@@H]1C[C@H]1c1c(F)cccc1Cl 242688462 VQOQDOFTPMLQDE-BIIVOSGPSA-N 214.667 2.963 0 40 BFAB CCn1cc(C)c(NCc2ccc(F)cc2)n1 256050461 FCBNWPLVQLPJDN-UHFFFAOYSA-N 233.290 2.963 0 40 BFAB Cc1cnc(Nc2ccc(Cl)cc2)nc1O 408978741 JQQVJICNDJLEMQ-UHFFFAOYSA-N 235.674 2.888 0 40 BFAB CC(C)(C)C(=O)C[C@H](O)C(Cl)(Cl)Cl 160263 FQGPSSYHVXSBCF-LURJTMIESA-N 247.549 2.723 0 40 BFAB COc1ccc(/C=C(/Cl)[N+](=O)[O-])cc1OC 162817 SACXDDNLWKKUEW-POHAHGRESA-N 243.646 2.518 0 40 BFAB O=C(Oc1ccccc1)c1ccnc(Cl)c1 166853 VPERXSXVMCFDAU-UHFFFAOYSA-N 233.654 2.954 0 40 BFAB COC(=O)c1cc(-c2ccccc2Cl)no1 266334 BQAPNLLNXHOVRR-UHFFFAOYSA-N 237.642 2.782 0 40 BFAB CC(=O)Nc1ccc(NC(C)=O)c(C(C)(C)C)c1 345693 KDNBBARCBHWGTI-UHFFFAOYSA-N 248.326 2.901 0 40 BFAB CCCCOC(=O)c1cccnc1SC 2555983 BIXXSBJVETWIOQ-UHFFFAOYSA-N 225.313 2.760 0 40 BFAB Cc1ccc(Cn2nc(C)c(C=O)c2C)cc1 2650195 PTUOOQBSBFPMCT-UHFFFAOYSA-N 228.295 2.669 0 40 BFAB in-vitro C[n+]1ccccc1/C=C/c1ccc(F)c(F)c1 5002307 WKGYBHXTDBHOHY-FNORWQNLSA-N 232.253 2.960 0 40 BFAB O=C1CCCN1c1nc(-c2ccccc2)cs1 6508385 FKVUYEBROQKEAR-UHFFFAOYSA-N 244.319 2.937 0 40 BFAB CCc1ccc(-c2noc(C)c2C(=O)O)cc1 11627975 QWTIUZGSFKIRRG-UHFFFAOYSA-N 231.251 2.911 0 40 BFAB Cc1cc(C(=O)O)ccc1NC(=O)CC(C)C 13391080 PMMPHKBLAPVUBN-UHFFFAOYSA-N 235.283 2.678 0 40 BFAB c1ccc2cc(O[C@@H]3CCCNC3)ccc2c1 14631789 AFAHCPYVSZXOAZ-OAHLLOKOSA-N 227.307 2.971 0 40 BFAB CCN(CC)[C@@H](C(=O)O)c1ccccc1Cl 16844138 JNWZCPLEUZUNFM-LLVKDONJSA-N 241.718 2.808 0 40 BFAB COc1ccc(C(=O)NC2CC2)c2ccccc12 17122480 GEIIIHNZTSIXBO-UHFFFAOYSA-N 241.290 2.741 0 40 BFAB O=c1[nH]c(Nc2ccccc2)nc2ccccc12 18240664 RACLRJZSLQLCFA-UHFFFAOYSA-N 237.262 2.667 0 40 BFAB CC[C@H](C)[C@@H](N)c1nc2ccccc2[nH]1 19266443 XZPXJYCEDOOLIW-GZMMTYOYSA-N 203.289 2.609 0 40 BFAB Cc1cc(-c2nc3cnccc3o2)ccc1N 20158677 VBHBNWOUZDQURB-UHFFFAOYSA-N 225.251 2.780 0 40 BFAB COc1ccccc1[C@@H](C)NC(=O)C=C(C)C 23154556 MWASXIHQRPILFL-LLVKDONJSA-N 233.311 2.839 0 40 BFAB c1ccc(-c2ccc3c(c2)CNCC3)cc1 31771517 UQIVTFOULAOFAA-UHFFFAOYSA-N 209.292 2.999 0 40 BFAB C[C@H](C(=O)O)c1ccc(Br)s1 34469598 MFVPTFUXSSLCTE-BYPYZUCNSA-N 235.102 2.699 0 40 BFAB in-vitro CC(=O)[C@@H](C)N1CCCc2cc(C)ccc21 35036683 XUCXDXDMAURJCM-LLVKDONJSA-N 217.312 2.725 0 40 BFAB in-vitro O=C(Nc1ccncc1)c1c[nH]c2ccccc12 35206847 HCNGTVITAWMTDM-UHFFFAOYSA-N 237.262 2.815 0 40 BFAB CCCOc1nc(C(=O)O)cc2ccccc12 37024822 PBXKSLPJSWHEGK-UHFFFAOYSA-N 231.251 2.722 0 40 BFAB in-vitro Fc1cccc(-c2nc(-c3cccnc3)n[nH]2)c1 40164161 GHHVLLFGKWTBGQ-UHFFFAOYSA-N 240.241 2.673 0 40 BFAB Cc1cc2nc(Br)ccc2[nH]1 44712855 KRRBSZFBJWCMGM-UHFFFAOYSA-N 211.062 2.634 0 40 BFAB in-vitro CCOC(=O)c1cc(OC)cc(C(F)(F)F)c1 47202911 AFNOKGBDZQNTIX-UHFFFAOYSA-N 248.200 2.891 0 40 BFAB CCSc1nc(N)cc(Nc2ccccc2)n1 49467458 LDFNTKGKAUEDNS-UHFFFAOYSA-N 246.339 2.914 0 40 BFAB CCCN1CCC([C@@H](O)c2ccccc2)CC1 51531715 BNDUTWRZAHFGFJ-HNNXBMFYSA-N 233.355 2.842 0 40 BFAB C[C@H]1NCCc2c(F)cc(Br)cc21 52095389 IBUJCHHQAKKASZ-ZCFIWIBFSA-N 244.107 2.795 0 40 BFAB CC[C@H](C)n1c(C)nc2cc(N)ccc21 52842004 GWWAZFDXKRDRBK-QMMMGPOBSA-N 203.289 2.898 0 40 BFAB Cc1cc(N2CCC(C)CC2)ccc1N 59233849 NZESFHIIJHUTRR-UHFFFAOYSA-N 204.317 2.814 0 40 BFAB Cc1ccc2c(Cl)nccc2c1C(=O)O 64033966 DKAFNWYTPLCECP-UHFFFAOYSA-N 221.643 2.895 0 40 BFAB C[C@H]1CC(CO)C[C@H](C)N1Cc1ccccc1 72206927 APHDBYYXZFJYMF-STQMWFEESA-N 233.355 2.668 0 40 BFAB CCC(=O)c1cnc(NC(C)C)c(C)c1 72221962 PVXDTJHMQHWAIC-UHFFFAOYSA-N 206.289 2.803 0 40 BFAB Cc1cc(-c2cccs2)[nH]c1C(=O)O 74182024 MFZBJIYVSNNIBX-UHFFFAOYSA-N 207.254 2.750 0 40 BFAB COc1cccc(F)c1[C@@H](C)Nc1ncccn1 78420786 YXFMLUIJOBWCKS-SECBINFHSA-N 247.273 2.797 0 40 BFAB Cc1ccc(NC(=O)c2[nH]nc(C)c2C)cc1 82321177 HCZLDBRYUXVWLS-UHFFFAOYSA-N 229.283 2.587 0 40 BFAB Cc1cccc(CC2CN(C(=O)[C@@H]3C[C@@H]3C)C2)c1 85459275 GGBNKMZXCMEOPA-SWLSCSKDSA-N 243.350 2.652 0 40 BFAB CCN(CC(=O)OC1(C)CCC1)c1ccccc1 89961004 FZEANPUGOOXUEU-UHFFFAOYSA-N 247.338 2.999 0 40 BFAB C[C@H]1CC[C@@H](C)CN1C(=O)[C@@H]1CCCS1 95404752 UJJYIJHLRJPAHB-VWYCJHECSA-N 227.373 2.529 0 40 BFAB c1csc(CSC2CCOCC2)n1 95439488 OWHOQACOURAJRI-UHFFFAOYSA-N 215.343 2.555 0 40 BFAB COC(=O)C(=O)c1ccc(-c2ccccc2)cc1 95729611 BFLPCLJPRDPYBX-UHFFFAOYSA-N 240.258 2.709 0 40 BFAB FC(F)(F)c1ccc([C@]23CNC[C@@H]2C3)cc1 100008999 IWDGZABFNGRZPF-QWRGUYRKSA-N 227.229 2.566 0 40 BFAB CCC(=O)O[C@@H]1C[C@H]2C[C@H]1[C@@H]1CC=C[C@H]21 100047363 BLBJUGKATXCWET-PZWNZHSQSA-N 206.285 2.540 0 40 BFAB CN(CCc1ccccn1)C[C@H]1C[C@H]2C=C[C@H]1C2 100655171 CJNPSSKBHIVZGP-SOUVJXGZSA-N 242.366 2.768 0 40 BFAB CCN(CC)[C@@H](Cc1cccc(C)c1C)C(=O)O 107843643 PZIQZHPSTFBADH-AWEZNQCLSA-N 249.354 2.641 0 40 BFAB O=C(O)c1cncc(Oc2ccccc2)c1 115489684 MKZWSVNNWJDHDI-UHFFFAOYSA-N 215.208 2.572 0 40 BFAB COc1ccc(CSCCCO)cc1Cl 188664022 MHPHSMVXPOJQDF-UHFFFAOYSA-N 246.759 2.964 0 40 BFAB CCc1nc(C)ccc1OCc1ccon1 190774209 LPHMHTGNEZXFHC-UHFFFAOYSA-N 218.256 2.519 0 40 BFAB CO[C@@H](C)[C@H](C)NC[C@@H](C)c1ccccc1 194841861 MXKYFMSRBKHODR-AGIUHOORSA-N 221.344 2.803 0 40 BFAB CCCc1ccc(C(=O)[C@@H]2C[C@H]2C(=O)O)cc1 217816850 UEOJTNJBQSCQEY-VXGBXAGGSA-N 232.279 2.543 0 40 BFAB CCCOC(=O)c1snnc1-c1ccccc1 223831120 KTJFBRUYLIKOCT-UHFFFAOYSA-N 248.307 2.772 0 40 BFAB CCOCc1nn(CC(F)(F)F)cc1Cl 408715159 CPKXWYFMFPPLNA-UHFFFAOYSA-N 242.628 2.635 0 40 BFAB C[C@H](CC(=O)Nc1ncccn1)c1ccccc1 268357 DFOGTKUCJBQVCR-LLVKDONJSA-N 241.294 2.609 0 40 BFAB O=C(CC1(O)CCCCC1)Nc1ccccc1 1662352 MTBCTYJGYOYIJA-UHFFFAOYSA-N 233.311 2.710 0 40 BFAB O=C(O)COc1cc(Cl)cc(F)c1Cl 1706131 BUEAJOYFNXFKHF-UHFFFAOYSA-N 239.029 2.596 0 40 BFAB COc1ccc([C@H]2[C@@H](N)[C@H]3CC[C@@H]2C3)cc1 4682968 BJNJVLZOLIJWSQ-WVWOOGAGSA-N 217.312 2.536 0 40 BFAB CC[C@H](C)C(=O)N[C@@H](C)c1ccccc1 5665263 VOZIYZAFDNZVQF-QWRGUYRKSA-N 205.301 2.910 0 40 BFAB O=C(/C=C/c1c(F)cccc1Cl)NC1CC1 5670313 YMWVXQJCBXVRRT-VOTSOKGWSA-N 239.677 2.771 0 40 BFAB O=C1c2ccccc2OCN1c1ccccc1 5933882 CIDCGFNYVUUFRG-UHFFFAOYSA-N 225.247 2.683 0 40 BFAB Cc1c(N)cccc1C(=O)N1C[C@H](C)C[C@@H](C)C1 8703649 HHKZWFUXXJUEHM-GHMZBOCLSA-N 246.354 2.695 0 40 BFAB CCNc1nc(-c2ccc(O)cc2O)cs1 9503893 QFCHDRQTJUTDBC-UHFFFAOYSA-N 236.296 2.653 0 40 BFAB Cc1cc(CNC(=O)c2ccoc2)ccc1F 10552413 PRWTVQZRZONTJN-UHFFFAOYSA-N 233.242 2.657 0 40 BFAB CSCC(=O)Nc1ccc(C)c(Cl)c1 12979215 ZJAWOHJOQYJXTH-UHFFFAOYSA-N 229.732 2.950 0 40 BFAB Cc1cc(C)cc(NS(=O)(=O)CC(C)C)c1 16972596 FLAOTGWBNIMRKK-UHFFFAOYSA-N 241.356 2.701 0 40 BFAB Cc1nn(-c2cccc(Cl)c2)c(C)c1C=O 19481773 FZBWBUFTEPDFBG-UHFFFAOYSA-N 234.686 2.955 0 40 BFAB CC(=O)c1ccc(OCc2cccnc2)cc1 19508826 DWFKUFJMJVKGES-UHFFFAOYSA-N 227.263 2.863 0 40 BFAB O=C(C1CCCCC1)N1CCC[C@@H]1c1cc[nH]n1 19695486 BMBRHDWSXPSGHI-CYBMUJFWSA-N 247.342 2.654 0 40 BFAB CC[C@@H](C)Nc1ccc(OC)cc1OC 19903475 QGOHFKDBVLSCRH-SECBINFHSA-N 209.289 2.914 0 40 BFAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NC 20493873 MCJBUOCGUKYQNW-AWEZNQCLSA-N 243.306 2.743 0 40 BFAB Cc1ccsc1C(=O)N[C@@H](C)c1ccccn1 28781068 UZCXNRWITWXARA-JTQLQIEISA-N 246.335 2.943 0 40 BFAB Clc1cccc(Nc2ncnc3n[nH]cc23)c1 31807350 JETSWOCRRFLFKV-UHFFFAOYSA-N 245.673 2.750 0 40 BFAB O=[S@](O)c1ccc2c3c(cccc13)CC2 33940497 SJQWTSIXBWTOCB-UHFFFAOYSA-N 218.277 2.519 0 40 BFAB NC[C@H](Nc1ccccc1)c1ccccc1 34481805 XDJPCFMMGYZWIQ-AWEZNQCLSA-N 212.296 2.799 0 40 BFAB C[C@H]1CC(=O)c2cc(Br)ccc2O1 35741286 ZTSZVEOFLABNFB-LURJTMIESA-N 241.084 2.803 0 40 BFAB Nc1cc(-c2cccs2)ccc1C(=O)O 36294175 RWXQPMJFVHLSST-UHFFFAOYSA-N 219.265 2.696 0 40 BFAB Cc1n[nH]c(N)c1-c1ccc(OC(F)F)cc1 36935661 RAJRUCIHRXQMJI-UHFFFAOYSA-N 239.225 2.569 0 40 BFAB in-vitro CCC(CC)N[C@@H](C)c1nnc2ccccn12 36969063 VTZBZXONYQHTKM-JTQLQIEISA-N 232.331 2.569 0 40 BFAB COC(=O)/C=C/c1cc(Cl)ccc1OC 39076506 YIDRCVKIPFFMJR-ZZXKWVIFSA-N 226.659 2.535 0 40 BFAB CC(C)c1ccc(OC[C@@H]2CCNC2)cc1 42773199 LQPHJKBOQSXHRD-GFCCVEGCSA-N 219.328 2.798 0 40 BFAB CC1(C)[C@@H]2CC=C(Br)[C@@H](O)[C@H]1C2 43762139 PFZOIQPVBHYHBX-BHNWBGBOSA-N 231.133 2.692 0 40 BFAB CCCC(=O)N(CC)CCc1ccccc1 45465826 NRMXBIXJYANGKX-UHFFFAOYSA-N 219.328 2.878 0 40 BFAB CN(Cc1ccccc1)c1ccnc(Cl)n1 51849140 NTDMPTKAKGKWAZ-UHFFFAOYSA-N 233.702 2.766 0 40 BFAB Cc1nc2ccc(NC(=O)c3ccco3)cc2o1 58229802 FDCHCMCKWKVMIG-UHFFFAOYSA-N 242.234 2.982 0 40 BFAB CSCCC(=O)c1ccc(F)cc1F 69984396 FLEHUADUXIQKBW-UHFFFAOYSA-N 216.252 2.901 0 40 BFAB CN1CCC[C@@H]1c1cccnc1Br 72211596 HEHGGBCISFGVSD-SECBINFHSA-N 241.132 2.611 0 40 BFAB CCCCN1CCC[C@H]1c1ccc(N)nc1 72212368 XKIBTYGERLIZDW-LBPRGKRZSA-N 219.332 2.601 0 40 BFAB Clc1cc(Cl)nc([C@@H]2CCCO2)n1 83710643 ZLJXHFZMHHYKTL-YFKPBYRVSA-N 219.071 2.635 0 40 BFAB O=C(O)C1CC(Cc2ccccc2Cl)C1 84015871 MCBINJZYVSFXJY-UHFFFAOYSA-N 224.687 2.993 0 40 BFAB CC(C)COC[C@H](C)NC(=O)OC(C)(C)C 84544407 BGDVGNKYIINTTH-JTQLQIEISA-N 231.336 2.572 0 40 BFAB CCOC(=O)c1[nH]ccc1-c1ccccc1F 92721681 WMWFKUFXHDUQRE-UHFFFAOYSA-N 233.242 2.998 0 40 BFAB CCOc1cc(C(=O)CC)cc(F)c1F 95739917 LLVMXBHTIDERGL-UHFFFAOYSA-N 214.211 2.956 0 40 BFAB FC(F)Cn1cc(NCc2cccs2)cn1 124867342 FPQCPUUCQKMJHX-UHFFFAOYSA-N 243.282 2.822 0 40 BFAB CCn1cc(-c2ccccc2)cc1C(=O)O 145042700 KWGGYODPFGEGRX-UHFFFAOYSA-N 215.252 2.873 0 40 BFAB NC[C@H](Cc1ccccc1)OCc1ccccc1 165695067 MYZMKVXWYFWJFK-INIZCTEOSA-N 241.334 2.773 0 40 BFAB CCCCCNc1nn(CCF)cc1C 256053782 SVGGOWSONPIIJU-UHFFFAOYSA-N 213.300 2.763 0 40 BFAB CCOc1cccc(-c2nc(CO)c(C)o2)c1 409422715 JYIQZIOOPYPAJL-UHFFFAOYSA-N 233.267 2.541 0 40 BFAB Cn1c(-c2ccccc2)[n+](C)c2ccccc21 225674 NLMISGYQTXQMDK-UHFFFAOYSA-N 223.299 2.670 0 40 BFAB CC[C@@H]1CCCCN1C(=O)C1CCCC1 1466479 XIUAWVWOVMNYNX-GFCCVEGCSA-N 209.333 2.968 0 40 BFAB NC(=O)c1ccnc(SC2CCCCC2)c1 2525004 KPFHLMXEFYVSGQ-UHFFFAOYSA-N 236.340 2.605 0 40 BFAB CCCCC(=O)Nc1ccc(Cl)cn1 3771114 PXFQRDYMGCMXAD-UHFFFAOYSA-N 212.680 2.864 0 40 BFAB O=C(N[C@H]1CCCc2ccccc21)C1CC1 5442889 POWZJPWFNIZOSW-ZDUSSCGKSA-N 215.296 2.590 0 40 BFAB NCc1ccccc1-c1cccc(F)c1 5764204 LQMKPXGUHMVUGL-UHFFFAOYSA-N 201.244 2.951 0 40 BFAB CCC[C@H](Nc1cccc(C)c1C)C(=O)O 8702810 CBSDSJCCXYWVMN-LBPRGKRZSA-N 221.300 2.969 0 40 BFAB Cc1ccc(NCC(C)(C)C(=O)O)cc1C 8702845 WWFROAIOWJBYKZ-UHFFFAOYSA-N 221.300 2.826 0 40 BFAB CC[C@@](C)(O)CCCCC[C@H]1C=CC(=O)O1 14490828 SYVFGLXUEAXFAP-WCQYABFASA-N 226.316 2.580 0 40 BFAB biogenic,in-vitro CCCNC(=O)Cc1c(C)[nH]c2ccc(F)cc12 24545531 FFKIOGDICAKAPS-UHFFFAOYSA-N 248.301 2.684 0 40 BFAB C[C@H](NC(=O)c1ccc(F)cc1)c1cccnc1 32731616 FYLPHAGAZIRQRL-JTQLQIEISA-N 244.269 2.712 0 40 BFAB Cc1nn(CN2CCC[C@H](C)C2)c(=S)s1 33029232 JOGXSCJRHJXTGK-QMMMGPOBSA-N 243.401 2.672 0 40 BFAB CC(=O)OCC(=O)c1ccc2ccccc2c1 37631832 VSNKQFOXXBIKEH-UHFFFAOYSA-N 228.247 2.586 0 40 BFAB C[C@H]1CCCC[C@H]1NC(=O)NCc1ccco1 40474215 DNDSAZZLMNKKHJ-CMPLNLGQSA-N 236.315 2.658 0 40 BFAB CN(C(=O)c1cc(C2CC2)on1)C1CCCCC1 40480256 NRIJADTTWWETRY-UHFFFAOYSA-N 248.326 2.957 0 40 BFAB CC(C)CCC(=O)NC(C1CC1)C1CC1 40489473 JZCFVHAYHIEUQX-UHFFFAOYSA-N 209.333 2.727 0 40 BFAB C[C@H]1C[C@H](C)CN(C(=O)Nc2nccs2)C1 42652123 TYGHVSXSDWGKSL-IUCAKERBSA-N 239.344 2.653 0 40 BFAB COc1ccc(SC[C@@H]2CCCCN2)cc1 43495133 IMKRALCTTFTFOR-NSHDSACASA-N 237.368 2.929 0 40 BFAB Cc1cc(CN(C)[C@H](C)CC(C)C)on1 45823348 VXCMODLEHPRYSM-LLVKDONJSA-N 210.321 2.849 0 40 BFAB O=C(CC1CCCCC1)c1ncccn1 53766454 QVWARJTWIBBESK-UHFFFAOYSA-N 204.273 2.630 0 40 BFAB in-vitro Cc1ccc(N[C@@H](C)C(=O)N2CCCC2)c(C)c1 57324379 NYHXQJYHWAWYHI-ZDUSSCGKSA-N 246.354 2.726 0 40 BFAB Cc1ccc2nc(-c3ccccc3)c(=O)[nH]c2c1 69375093 OHSYXHGYKMFQEK-UHFFFAOYSA-N 236.274 2.899 0 40 BFAB OC/C=C/c1cccc(Cl)c1Cl 70453280 IOFXJAYQIGHURM-DUXPYHPUSA-N 203.068 2.999 0 40 BFAB CNCCCCc1cccc(Br)c1 70651773 BNBPSUORMZAJJQ-UHFFFAOYSA-N 242.160 2.991 0 40 BFAB CC(C)(C)c1ccc2c(c1)C(=O)CCN2 71481810 QSKCEMJCIRPNHG-UHFFFAOYSA-N 203.285 2.982 0 40 BFAB CCC(=O)N1CCCC[C@@H]1c1nc(C)cc(C)n1 72187602 XIQPOVLSUKWTCW-GFCCVEGCSA-N 247.342 2.557 0 40 BFAB Cc1ccc(C(=O)NCC(C)(C)C)cc1 75909880 BJGMTBOMRDHEHL-UHFFFAOYSA-N 205.301 2.771 0 40 BFAB CCCN(CC(=O)O)c1ccc(C)c(C)c1 76610617 SKYJXNMSMRFVBU-UHFFFAOYSA-N 221.300 2.604 0 40 BFAB Cc1nccc(N2CCC(C(F)(F)F)CC2)n1 78558661 HTAMTZWORMKABA-UHFFFAOYSA-N 245.248 2.564 0 40 BFAB CCCOc1cc(N)c(F)cc1Br 82311384 HRPOAZFNWXINHZ-UHFFFAOYSA-N 248.095 2.959 0 40 BFAB CCNCc1cccn1Cc1ccccc1C 90995918 QRPLOIGVYFYSIL-UHFFFAOYSA-N 228.339 2.954 0 40 BFAB CNC(=O)N1C[C@@H]2CCCC[C@@]21c1ccccc1 92760125 RKLNBHPNGJEPTR-DZGCQCFKSA-N 244.338 2.727 0 40 BFAB C[C@H]1CC(C)(C)CC[C@@H]1NCc1nccn1C 93962619 FHRHXLUOAAJDBM-RYUDHWBXSA-N 235.375 2.725 0 40 BFAB Cc1nc(C(F)(F)F)ccc1/C=C/C(=O)O 95215911 CHNFAYGEOZABBD-HWKANZROSA-N 231.173 2.507 0 40 BFAB Cc1cc(C)n(C[C@@H](C)Nc2cccc(F)n2)n1 96429281 ROLNEJZALIOOHI-SNVBAGLBSA-N 248.305 2.535 0 40 BFAB Fc1ccc(CNc2ncncc2Cl)cc1 97103439 GCLFYBOGWFLSAA-UHFFFAOYSA-N 237.665 2.881 0 40 BFAB CCc1cnc(NCc2c(C)n[nH]c2C)s1 97114518 TYFVJFUXYOFEOX-UHFFFAOYSA-N 236.344 2.658 0 40 BFAB c1ccc2c(c1)C1CNCC2c2ccccc21 136284652 CKKUJRKLWAWXJW-UHFFFAOYSA-N 221.303 2.867 0 40 BFAB Cc1[nH]c2c(ccc3cccnc32)c1C(=O)O 218892732 BQHKVLROLYPYCE-UHFFFAOYSA-N 226.235 2.723 0 40 BFAB CC[C@H](C(=O)O)N(C)c1cc(C)cc(C)c1 224984304 YTVYFFMRQCEANA-GFCCVEGCSA-N 221.300 2.603 0 40 BFAB CC12CC(CN1c1nc3ccc(F)cc3o1)C2 894657685 MTSPYPYWKOYEKG-UHFFFAOYSA-N 232.258 2.956 0 40 BFAB O=C1CC[C@@]2(CC2(F)F)c2ccccc21 1554713167 LNMSSDGCXRGHLG-LLVKDONJSA-N 208.207 2.940 0 40 BFAB COC(=O)C[C@H](c1ccccc1)N1CCCCC1 1569400 OCCNZNNZMQOPKT-CQSZACIVSA-N 247.338 2.777 0 40 BFAB COc1cc2ccc(C(=O)O)cc2cc1OC 1722927 XMOYHYGPKOVFJI-UHFFFAOYSA-N 232.235 2.555 0 40 BFAB CC[C@@H](C)CCCCNC1=NCCS1 3885620 USSUVJMMDUZVBR-SNVBAGLBSA-N 214.378 2.895 0 40 BFAB CCSc1nnc(C)n1-c1ccccc1 4354859 VSSXZYYEAMDZNA-UHFFFAOYSA-N 219.313 2.688 0 40 BFAB O=C1NC(=O)/C(=C\C=C/c2ccccc2)S1 5351894 XABHYXPBBJGVRA-WIXOJMCHSA-N 231.276 2.567 0 40 BFAB Cc1nn(C(=O)COc2ccccc2)c(C)c1C 10155518 JPSXWLQQLVOTDF-UHFFFAOYSA-N 244.294 2.528 0 40 BFAB COc1cc2c(cc1OC)[C@@H](C(C)(C)C)NCC2 11598992 FOAHVIKIRZCFDA-AWEZNQCLSA-N 249.354 2.937 0 40 BFAB NC1(c2ccccc2)Cc2ccccc2C1 11833282 GXTVEMKCNRJADK-UHFFFAOYSA-N 209.292 2.639 0 40 BFAB Cn1cc([C@@H]2CCCCN2)c2ccccc21 11919589 QYXNFJAWCYVYNV-ZDUSSCGKSA-N 214.312 2.993 0 40 BFAB CC1(C)[C@H]2CC[C@]1(C)[C@H](SCCO)C2 12660019 AGZBMLIJEPVRHP-HOSYDEDBSA-N 214.374 2.927 0 40 BFAB Cc1ccc2c3c([nH]c2c1C)-c1nonc1CC3 13126464 YHDDUKWGCJZQGG-UHFFFAOYSA-N 239.278 2.933 0 40 BFAB O=c1[nH]c(Cc2ccccc2)nc2ccccc12 13570997 ZDUVLDCZFKNYHH-UHFFFAOYSA-N 236.274 2.514 0 40 BFAB endogenous,in-man CC(C)NC(=S)N1CCC[C@H]2CCCC[C@H]21 16575454 ZWENQMPVFYLITQ-VXGBXAGGSA-N 240.416 2.924 0 40 BFAB C[C@H](Oc1ccccc1C(F)(F)F)C(=O)O 21953550 YIZVVMCXQYBBIE-LURJTMIESA-N 234.173 2.557 0 40 BFAB in-vitro O=C(NCCc1ccccc1F)c1ccsc1 22662733 RPLFCANBKJBFCT-UHFFFAOYSA-N 249.310 2.860 0 40 BFAB O=C(C1CC1)N1CCC[C@H]1c1cccs1 33028509 OWPGWTAMHQQVNN-JTQLQIEISA-N 221.325 2.822 0 40 BFAB Fc1ccc(OCC[C@H]2CCCCN2)c(F)c1 34972600 GUMZLSNDDOJXOB-LLVKDONJSA-N 241.281 2.876 0 40 BFAB in-vitro C[C@@H]1Cc2cc(N)ccc2N1C(=O)OC(C)(C)C 36742478 YOELJPDARJMOOO-SECBINFHSA-N 248.326 2.955 0 40 BFAB CCCCC[C@@H](C)N[C@H](C)Cn1cccn1 37154489 BAWSJWCOJQCLGU-CHWSQXEVSA-N 223.364 2.830 0 40 BFAB Cc1cc(Br)c2c(c1)NCCO2 39941568 JSBAIKUUINFLEM-UHFFFAOYSA-N 228.089 2.562 0 40 BFAB Cc1cc(=O)c2ccc(C(F)(F)F)cc2n1C 40164070 DUBNWMWGMMVANF-UHFFFAOYSA-N 241.212 2.866 0 40 BFAB Cc1cc(Cl)cc2c(=O)ccn(C)c12 40164090 RLFYNKSSRDZQGX-UHFFFAOYSA-N 207.660 2.500 0 40 BFAB Cc1cccnc1NC(=O)CCC(C)C 44896927 VPVYVPGHJBMBEN-UHFFFAOYSA-N 206.289 2.765 0 40 BFAB Cc1cc(C(=O)c2cc(F)ccc2F)ccn1 45038582 DKMFCOUZMLFJTB-UHFFFAOYSA-N 233.217 2.899 0 40 BFAB C/C=C/C=C\C(=O)Nc1ccc(F)cc1OC 45495350 ALHDDVUEQLOOBV-ICWBMWKASA-N 235.258 2.905 0 40 BFAB Cc1noc(/C=C/c2ccc(F)cc2)c1N 47844051 UMNAPZDTRIIIJG-QPJJXVBHSA-N 218.231 2.875 0 40 BFAB in-vitro Fc1ccccc1NCc1nccs1 49814187 JZRKMKWROPXNLR-UHFFFAOYSA-N 208.261 2.894 0 40 BFAB Cc1ccc(CCC(=O)NCC(F)(F)F)cc1 58246558 YPLSMYQUIFDEFM-UHFFFAOYSA-N 245.244 2.606 0 40 BFAB CCc1cc(Br)c2oc(N)nc2c1 62533337 IUUNYIYVASYLPN-UHFFFAOYSA-N 241.088 2.735 0 40 BFAB O[C@@H](c1cc(F)c(F)c(F)c1)c1ccco1 68979246 QBUGDUHDFBUFML-NSHDSACASA-N 228.169 2.779 0 40 BFAB Cc1ccc([C@@H]2OCCC[C@H]2C(=O)O)cc1 70652265 SMIUTUKGLHUEFW-NEPJUHHUSA-N 220.268 2.547 0 40 BFAB CCN1CCCC[C@@H]1c1ncccc1C 72211147 ULOVRFROGOBDNM-GFCCVEGCSA-N 204.317 2.937 0 40 BFAB Cc1ccc(OCc2ccc(C=O)o2)cc1 85395332 DMLPNGHKACOWNQ-UHFFFAOYSA-N 216.236 2.980 0 40 BFAB COc1ccnc(NCCC2=CCCCC2)n1 95962246 OZQZMDFCJBPWIY-UHFFFAOYSA-N 233.315 2.788 0 40 BFAB CC(C)N(C)C(=O)c1ccc(Cl)cc1F 97077360 QVXXQLXGVQUYQC-UHFFFAOYSA-N 229.682 2.960 0 40 BFAB c1ccc2c(c1)NC1(S2)[C@H]2CCC[C@H]1CNC2 100228719 PGFWNWLZPBMYFQ-QWRGUYRKSA-N 246.379 2.920 0 40 BFAB O=C(O)c1sc2cc(O)cc(O)c2c1Cl 228954239 CLVHPMVZNGAJNK-UHFFFAOYSA-N 244.655 2.664 0 40 BFAB CCCCCNc1cc(C2CC2)nn1C 256052290 MSPAYWRYUKDHDF-UHFFFAOYSA-N 207.321 2.900 0 40 BFAB Cn1cc(Br)c2ncc(Cl)cc21 953057364 FKYVVUTYINPUNQ-UHFFFAOYSA-N 245.507 2.989 0 40 BFAB COc1ccc(N2CCCSC2=S)cc1 1585113 VZRXFLGJMKLUPR-UHFFFAOYSA-N 239.365 2.923 0 40 BFAB CC(=O)Nc1ccc2c(c1O)Cc1ccccc1-2 1672128 IQPIBKBOFOVHBP-UHFFFAOYSA-N 239.274 2.922 0 40 BFAB in-vitro C[C@]1(O)C[C@](O)(c2ccccc2)c2ccccc21 1708746 XVIODFWVBLLPJY-HOTGVXAUSA-N 240.302 2.534 0 40 BFAB CCCCOc1ccc([C@]2(C)CC(=O)N2)cc1 2097680 XEMSORLEBBRTJC-AWEZNQCLSA-N 233.311 2.601 0 40 BFAB biogenic CC(=O)Nc1ccc(SC(F)F)cc1 2156459 BNRKNBBWYHACKK-UHFFFAOYSA-N 217.240 2.960 0 40 BFAB CCCC(=O)OC[C@@H]1CCCN2CCCC[C@H]12 4028364 CWMGUIJYDGBJPZ-QWHCGFSZSA-N 239.359 2.594 0 40 BFAB biogenic COc1cc(C)c(NC(=O)[C@H]2C[C@@H]2C)cc1OC 5616887 CAUMHHMSEMESFJ-WPRPVWTQSA-N 249.310 2.607 0 40 BFAB O=C(Nc1cccnc1)N1CCCCCCC1 9322790 RKGJTPXKSQJHQW-UHFFFAOYSA-N 233.315 2.880 0 40 BFAB COc1ccccc1NC(=O)c1cccc(N)c1 11737165 CHWAPCIPUOQNNX-UHFFFAOYSA-N 242.278 2.530 0 40 BFAB CC[C@@H](C)NC(=O)Cc1c(F)cccc1Cl 12928230 NEKZULCRENTHRJ-MRVPVSSYSA-N 243.709 2.936 0 40 BFAB CN1C(=O)c2ccccc2N[C@H]1c1ccsc1 15249453 JVHNITJWJCMVAY-GFCCVEGCSA-N 244.319 2.944 0 40 BFAB COC(=O)COc1cc(C)c(Cl)c(C)c1 15423307 AEIGCKJWLUPJRD-UHFFFAOYSA-N 228.675 2.509 0 40 BFAB CCCCOc1ccc(N)c2cccnc12 19772633 PLAGCOMHYGEWHM-UHFFFAOYSA-N 216.284 2.996 0 40 BFAB C[C@H]1C[C@@H]1C(=O)Nc1cnc2ccccc2c1 25714002 VGJRYMJZMWCPAD-CABZTGNLSA-N 226.279 2.829 0 40 BFAB CCOc1ncccc1NC(=O)[C@@H]1CC=CCC1 27515597 AVNYAEIQJDRNOU-LLVKDONJSA-N 246.310 2.775 0 40 BFAB Cc1ccsc1C(=O)N1CCC[C@H](C)C1 33023540 UCLHEUDAUGDWQJ-VIFPVBQESA-N 223.341 2.929 0 40 BFAB O=C(OCc1ccccc1)N1C[C@@H]2C=C[C@H]1C2 34624871 NDKQMNWQGHSZMJ-OLZOCXBDSA-N 229.279 2.584 0 40 BFAB Cn1ccc(NCc2ccc(Cl)s2)n1 37471716 XLVPDFLUCXLQBB-UHFFFAOYSA-N 227.720 2.747 0 40 BFAB CC(C)CCNCCOc1ccccc1 41216339 UWPVXZZIGZQBFR-UHFFFAOYSA-N 207.317 2.701 0 40 BFAB N[C@@H]1CCc2c(F)cc(Br)cc21 42405097 GQUXKZDCZSWEDG-SECBINFHSA-N 230.080 2.534 0 40 BFAB c1ccc(-c2ccccc2OC2CNC2)cc1 42769877 LOBOXFTYUABNLU-UHFFFAOYSA-N 225.291 2.704 0 40 BFAB Clc1ccc(Cl)c(OC[C@@H]2CCNC2)c1 42772353 OETOYPWEYQAUDI-MRVPVSSYSA-N 246.137 2.982 0 40 BFAB CC(C)Cn1cc2c3c(cccc31)CNCC2 45795990 MRVPSQYIHNWJOX-UHFFFAOYSA-N 228.339 2.943 0 40 BFAB Cc1ccccc1CNC(=O)c1scnc1C 46572512 FPBNHYDCFHCKGE-UHFFFAOYSA-N 246.335 2.690 0 40 BFAB C[C@H]1CCCc2cc(C(=O)O)c(Cl)nc21 49820279 ZCOSZAAOTWBIMR-LURJTMIESA-N 225.675 2.873 0 40 BFAB COC(=O)c1ccc(-c2cc(N)ccc2C)o1 57351222 FBXKCTUBESHWMC-UHFFFAOYSA-N 231.251 2.624 0 40 BFAB CCN1CCC[C@@H]1c1ccc(S)nc1 72216992 CVLYDEHHZLVASQ-SNVBAGLBSA-N 208.330 2.527 0 40 BFAB CC[C@@H](O)c1ccc(Br)nc1C 72223999 IVGVHHOYJVFNTQ-MRVPVSSYSA-N 230.105 2.596 0 40 BFAB O=C(NC1CC1)c1cc(-c2ccco2)cs1 72243246 IMHBAQBPYHDPKF-UHFFFAOYSA-N 233.292 2.900 0 40 BFAB C[C@@H](CN)c1cccc(Br)c1 82371262 CCOOGMNVMAJJGT-ZETCQYMHSA-N 214.106 2.511 0 40 BFAB C1CCCC(c2noc([C@@H]3CCCNC3)n2)CC1 87945618 YYBGOBHLKVBNKU-GFCCVEGCSA-N 249.358 2.974 0 40 BFAB Cc1[nH]ccc1C(=O)N1C[C@H]2CCCC[C@@H]2C1 89536734 PSQYANVRKGFDHX-VXGBXAGGSA-N 232.327 2.585 0 40 BFAB CN(C)c1ccc(C=O)c(C(F)(F)F)c1 95093800 XMXVGRQKTKRCSV-UHFFFAOYSA-N 217.190 2.584 0 40 BFAB in-vitro FC(F)c1ncnc(Cl)c1Br 96529352 PIUDIDXMSMQAIE-UHFFFAOYSA-N 243.438 2.830 0 40 BFAB C[C@H](c1cccnc1)N(C)Cc1cncs1 97375244 WJCJDEYMTZIJFA-SNVBAGLBSA-N 233.340 2.731 0 40 BFAB N=c1ccn(C/C=C/c2ccccc2)cc1 101120825 VLIHIUQTABWBFE-QPJJXVBHSA-N 210.280 2.681 0 40 BFAB CC(C)(C)OC(=O)Nc1cnc2cccnc2c1 145958705 GSTMUJGINQFVNK-UHFFFAOYSA-N 245.282 2.977 0 40 BFAB COc1c(C)cc([Si](C)(C)C)cc1C 195756232 ZYTZGESMAZLOTC-UHFFFAOYSA-N 208.377 2.857 0 40 BFAB CC(C)[C@]1(c2cncc(Br)c2)CO1 217527992 SPVCUPKLMBCVNA-JTQLQIEISA-N 242.116 2.726 0 40 BFAB CNCc1cccn1-c1cccc(C)c1 223679704 GPRSXGINFMCRPL-UHFFFAOYSA-N 200.285 2.505 0 40 BFAB Brc1cccc2c1NC[C@H]1C[C@H]21 225812331 PEEUHBCOALDYJS-SVRRBLITSA-N 224.101 2.978 0 40 BFAB CC1=CCC[C@@H](C)[C@@H]1CN1[C@H]2CC[C@H]1CC(O)C2 249082033 LSGBABGPNBPZEW-ORIJERBGSA-N 249.398 2.967 0 40 BFAB COC(=O)CCCCC(=O)c1ccccc1F 259409570 BYGNDJIEIRHOBA-UHFFFAOYSA-N 238.258 2.742 0 40 BFAB CC(C)COC(=O)Nc1nnc(C(C)C)s1 322743 KZMIVCCKBLIVLJ-UHFFFAOYSA-N 243.332 2.866 0 40 BFAB CC1(C)CC2=NN[C@H](c3ccccc3)[C@H]2CO1 366204 UONGMZHJAAXUGM-WCQYABFASA-N 230.311 2.502 0 40 BFAB COc1ccc(NC(=O)CC(C)C)cc1OC 383793 KNUQLJHQENEADV-UHFFFAOYSA-N 237.299 2.688 0 40 BFAB Cc1oc2ccccc2c(=O)c1Br 408162 FDWRTQHFRUGBHY-UHFFFAOYSA-N 239.068 2.864 0 40 BFAB Cc1[nH]c2ccccc2c1C[C@@H]1C[C@@H](C)OC1=O 518771 LBCSSFHBUUXFJE-KOLCDFICSA-N 243.306 2.970 0 40 BFAB biogenic CCCN(CCC)c1nc(N)c2ccccc2n1 1596205 MEUZETRTXAIIJM-UHFFFAOYSA-N 244.342 2.838 0 40 BFAB CCCCC(CCCC)N[C@H](C)CO 1716809 ZLNGBTRWHWZHIU-LLVKDONJSA-N 201.354 2.706 0 40 BFAB O=C(CCc1ccccc1)NC1CCCC1 2181310 JXSUEKAVTFBPCG-UHFFFAOYSA-N 217.312 2.678 0 40 BFAB CCOc1cc2c(cc1OCC)C(C)=NCC2 2512259 IOPIDDLIIVFOGD-UHFFFAOYSA-N 233.311 2.849 0 40 BFAB C[C@@H](Sc1cccc(C(F)(F)F)c1)C(N)=O 3413120 JQAOHLPBSFGBQY-ZCFIWIBFSA-N 249.257 2.671 0 40 BFAB CCCCN(C(=O)C(C)C)c1nc(C)co1 4216638 VMBNXRJYPJRJIU-UHFFFAOYSA-N 224.304 2.772 0 40 BFAB in-man CCCCCCC(=O)Nc1cc(C)on1 5461447 LMFOKMUCGGRKFU-UHFFFAOYSA-N 210.277 2.892 0 40 BFAB CCCCNC(=S)N1[C@@H](C)CCC[C@@H]1C 6264333 FFTZBIUTZLWFDB-QWRGUYRKSA-N 228.405 2.924 0 40 BFAB O=C(O)c1cc(-c2cc3ccccc3s2)[nH]n1 6849695 RYZLHXKNCMXYKX-UHFFFAOYSA-N 244.275 2.990 0 40 BFAB CNc1nc(-c2ccc(NC(C)=O)cc2)cs1 6905583 VGXMQEHVMFVOIZ-UHFFFAOYSA-N 247.323 2.810 0 40 BFAB CCC[C@@H](C)NC(=O)[C@H](OC)c1ccccc1 6945513 LFMCEOXMCOUKHF-DGCLKSJQSA-N 235.327 2.679 0 40 BFAB CCN(CC)Cc1ccc2nc(N)sc2c1 11850579 CLJFFZHTRKYUEZ-UHFFFAOYSA-N 235.356 2.720 0 40 BFAB Cc1ccc(OCC(=O)NCCC(C)C)cc1C 14400576 XJYNJABMBJRGPV-UHFFFAOYSA-N 249.354 2.845 0 40 BFAB CCc1ccc(C(=O)N[C@H](C)c2ccccn2)o1 32824610 JKAUBFWNOLLIJG-SNVBAGLBSA-N 244.294 2.728 0 40 BFAB CCc1ccccc1-n1cccc1C(=O)O 35431415 HQYDTAYUUFUJCB-UHFFFAOYSA-N 215.252 2.738 0 40 BFAB N[C@H]1CSc2ccc(Br)cc21 35762860 BXDALXIFCWKWFR-ZETCQYMHSA-N 230.130 2.555 0 40 BFAB in-vitro CC(C)CNC(=O)Cc1ccc2c(c1)CCCC2 40162096 ABOUGBGUVUIMTR-UHFFFAOYSA-N 245.366 2.880 0 40 BFAB COc1ccc(F)cc1[C@H](O)c1ccco1 40258463 SWJVPTVYOYSFKS-LBPRGKRZSA-N 222.215 2.509 0 40 BFAB CCN(CC)C(=O)CSCc1cccs1 40460905 LHWPDELIHNSLDM-UHFFFAOYSA-N 243.397 2.850 0 40 BFAB Cc1cccnc1C(=O)c1cc(F)cc(F)c1 45028693 NFGJJDZUAOVUET-UHFFFAOYSA-N 233.217 2.899 0 40 BFAB CCN(CC)c1nc2ccc(O)cc2s1 45237292 FMYKVNAXSVUEBU-UHFFFAOYSA-N 222.313 2.848 0 40 BFAB in-vitro COc1ccccc1N1C=CC(C)(C)NC1=S 56656517 PXNMNFBONJYQDJ-UHFFFAOYSA-N 248.351 2.682 0 40 BFAB CN(CCCC(=O)O)c1ccc(Cl)cc1 60001787 MKFMGYNOUJNFQD-UHFFFAOYSA-N 227.691 2.641 0 40 BFAB Cc1cnn([C@@H](C)[C@@H](C)NCc2cccs2)c1 69493153 OSLWIWBLUSZKHM-NEPJUHHUSA-N 249.383 2.992 0 40 BFAB CCCN1CCC[C@H]1c1ccc(O)nc1C 72218202 UDRYWTZGTMQKNM-LBPRGKRZSA-N 220.316 2.643 0 40 BFAB Cc1ccc(C(=O)O[C@H](C)c2ccccn2)o1 73531799 ZRKXZNSXVWAMQK-SNVBAGLBSA-N 231.251 2.901 0 40 BFAB C[C@@H](N)c1nc(-c2ccc(C(C)(C)C)cc2)n[nH]1 82510278 OSGKVOMRMNTDFJ-SECBINFHSA-N 244.342 2.789 0 40 BFAB Clc1ccc(Br)c2cn[nH]c12 89196538 JSAJRYOENRFNFQ-UHFFFAOYSA-N 231.480 2.979 0 40 BFAB in-vitro c1ccc2c3c([nH]c2c1)-c1n[nH]cc1CC3 96308815 WQSHEPAFFTVLAP-UHFFFAOYSA-N 209.252 2.657 0 40 BFAB C[C@H](N)c1ccn(CCCC2CCCC2)n1 96524128 XBOAYCGAQVSGFN-NSHDSACASA-N 221.348 2.873 0 40 BFAB CCCC(=O)[C@H](CC)C(=O)C(F)(F)F 100280694 BHQIXRJKTWWITR-LURJTMIESA-N 210.195 2.513 0 40 BFAB Cc1cccc(Cc2sc(N(C)C)nc2N)c1 103700421 NETCAAGPEKEKMM-UHFFFAOYSA-N 247.367 2.691 0 40 BFAB O=C(c1cccc2cccnc12)C(F)(F)F 106007128 RKCLHCXEHKBFOU-UHFFFAOYSA-N 225.169 2.980 0 40 BFAB Cc1ccc(N2CCN[C@H]3CCCC[C@H]32)c(F)c1 218837217 ONFUVKOVDLNWCX-DZGCQCFKSA-N 248.345 2.855 0 40 BFAB CC[C@H](C(=O)O)N(CC)c1cccc(C)c1C 224982040 ZBGYEGSQLIMQQM-GFCCVEGCSA-N 235.327 2.993 0 40 BFAB CCO[C@H](Cc1ccc(Cl)cc1C)C(=O)O 225075847 VGGRZLSTWDHWMP-LLVKDONJSA-N 242.702 2.681 0 40 BFAB Clc1cc(Br)n2nccc2c1 238533284 HYVWFJVTXVWJRY-UHFFFAOYSA-N 231.480 2.750 0 40 BFAB CC(C)=C(F)[C@H]1CC(C)=C(F)[C@H](O)O1 261828100 AGNVOCRJMUANDV-GMSGAONNSA-N 204.216 2.601 0 40 BFAB CC(C)COCc1ccn(CC(F)(F)F)n1 408715415 NBCVBPJQKFRBGL-UHFFFAOYSA-N 236.237 2.618 0 40 BFAB CC[C@@H](C(=O)O)n1ncc(Cl)c1C(F)F 408715811 FAMDREVVAGINGF-YFKPBYRVSA-N 238.621 2.510 0 40 BFAB CC1(C)C[C@@H]2NCCC[C@@H]2N1c1cccc(F)c1 1615160939 RSSJESREUONZJJ-KBPBESRZSA-N 248.345 2.935 0 40 BFAB FC[C@H]1CCN(c2cc(C3CCC3)ncn2)C1 2086910661 KQPJGPDWYOCRJF-SNVBAGLBSA-N 235.306 2.540 0 40 BFAB O=c1onc(Cc2ccccc2)c2ccccc12 502507 RZUOWTIYGMTNHO-UHFFFAOYSA-N 237.258 2.779 0 40 BFAB Cc1cc(N)c(C)c(Br)c1C 1561132 VSYKMXNZQQYGPT-UHFFFAOYSA-N 214.106 2.957 0 40 BFAB CC(C)(C)N1O[C@@H]1C(Cl)(Cl)Cl 1591326 URRVKQHINCACCQ-CQIZIWTCSA-N 218.511 2.728 0 40 BFAB NC(=O)Nc1ccc(Nc2ccccc2)cc1 1608819 IXJAPUJTRAMLQN-UHFFFAOYSA-N 227.267 2.921 0 40 BFAB OCCN[C@@H](Cc1ccccc1)c1ccccc1 1669455 MQCJFNFEBKFRRQ-INIZCTEOSA-N 241.334 2.552 0 40 BFAB CC(=O)NCc1c(Cl)cccc1-n1cccc1 4054872 DNJQZFVRHFZBNW-UHFFFAOYSA-N 248.713 2.767 0 40 BFAB CSc1sc(C(=O)O)c2c1C(=O)CCC2 4338429 YUEPFPUBEDTMTC-UHFFFAOYSA-N 242.321 2.687 0 40 BFAB O=C([C@@H]1CC=CCC1)N1CCCCCC1 5217939 FKSRKZXBQQILCD-GFCCVEGCSA-N 207.317 2.745 0 40 BFAB O=C1CCCc2ncc(C(F)(F)F)cc21 12506034 PPBDRJRJPMFIMA-UHFFFAOYSA-N 215.174 2.619 0 40 BFAB in-vitro Cc1cc(F)ccc1NC(=O)C1CCC1 12976318 NEPCBRKDIDZMQI-UHFFFAOYSA-N 207.248 2.873 0 40 BFAB Fc1ccc(CNC2CC2)c(Br)c1 19263104 PZTAOEYJSGSYLP-UHFFFAOYSA-N 244.107 2.840 0 40 BFAB NCCn1c2ccccc2c2ccccc21 19400923 OYGMIRMOXJHJFF-UHFFFAOYSA-N 210.280 2.753 0 40 BFAB CCNc1ccccc1Br 19922877 FLRJSHVTNSVDDI-UHFFFAOYSA-N 200.079 2.881 0 40 BFAB CCc1c(C=O)c(C)n(Cc2cccnc2)c1C 22122272 OWOJFJDQXDLVKC-UHFFFAOYSA-N 242.322 2.923 0 40 BFAB Cc1noc(C(C)C)c1C(=O)Nc1ccncc1 22698958 RMRQWBWMMRJIHE-UHFFFAOYSA-N 245.282 2.754 0 40 BFAB C[C@H](CC(=O)N1CCCCCCC1)n1ccnc1 32720226 WBJVMTLTVOETSZ-CYBMUJFWSA-N 249.358 2.627 0 40 BFAB CN(Cc1ccco1)C(=O)CCc1ccsc1 39975967 PKDSNXCXOGGFQK-UHFFFAOYSA-N 249.335 2.932 0 40 BFAB O=C(O)c1cc2occ(-c3cccnc3)c2[nH]1 40430574 BEQMEFJYIFFXFO-UHFFFAOYSA-N 228.207 2.521 0 40 BFAB Cc1ccccc1C(=O)C[C@@H](C)CC(=O)O 43214215 CWCXAHALCGEMCW-SECBINFHSA-N 220.268 2.679 0 40 BFAB CCNC(=O)N[C@@H](C)c1cccc(Cl)c1 43467076 VEXLWOCOQMFZBM-QMMMGPOBSA-N 226.707 2.720 0 40 BFAB Cc1ccccc1[C@@H](C)NC(=O)NC1CC1 57561361 QSWYSCIOYMCOIP-SNVBAGLBSA-N 218.300 2.518 0 40 BFAB c1cnc(N2CCCCC2)c(C2=NCCC2)c1 72216083 RRTRIRYAIHHGFI-UHFFFAOYSA-N 229.327 2.655 0 40 BFAB CCCN(CCC)c1ccc([C@H](C)N)cn1 72225284 VZRWYCZZUMHMPU-NSHDSACASA-N 221.348 2.728 0 40 BFAB CSc1cc(Br)cc(C(=O)O)c1 90413342 SOGHHCXGNPQCLE-UHFFFAOYSA-N 247.113 2.869 0 40 BFAB c1cnc2nc(N3CCCCCCC3)ccc2n1 95389741 WQYZQYXPCORWTI-UHFFFAOYSA-N 242.326 2.795 0 40 BFAB Cc1cc([C@H](O)c2cccn2C)ccc1F 95727813 HLCPIKHKMWFOKK-ZDUSSCGKSA-N 219.259 2.554 0 40 BFAB CCOC(=O)CC(=O)c1ccc(Cl)c(F)c1 95728848 RWDICAQJHOYPIZ-UHFFFAOYSA-N 244.649 2.615 0 40 BFAB Cc1nnc([C@@H](C)Oc2cccc(C)c2F)o1 97054534 LAQDIIVDUHJWOV-MRVPVSSYSA-N 236.246 2.966 0 40 BFAB Brc1ccc2c(c1)[C@H]1O[C@@H]1CC2 100185822 SYSQBWSXGVPPCP-NXEZZACHSA-N 225.085 2.835 0 40 BFAB Cc1ccc([C@H](O)c2cccc(N)c2)cc1 113689082 HBYHYFZBJKWXKT-AWEZNQCLSA-N 213.280 2.659 0 40 BFAB CCOC(=O)c1ccc2c(c1)C(C)(C)CO2 205289784 WQJRDXWCOHRNFI-UHFFFAOYSA-N 220.268 2.533 0 40 BFAB CCO[C@H]1[C@H]2CC[C@H]1N(Cc1cccs1)C2 248378109 IQFBXMMNVMEXJT-UHTWSYAYSA-N 237.368 2.747 0 40 BFAB CCCCCNCc1ccn(CC(F)(F)F)n1 256050233 DGMXKCRIZAOBRN-UHFFFAOYSA-N 249.280 2.725 0 40 BFAB C[C@H](OCc1cccc(Cl)c1)[C@@H]1CO1 256052917 PEHMOSCALGMHIE-KWQFWETISA-N 212.676 2.644 0 40 BFAB CC(C)CCNc1ccn(C(F)F)n1 256053405 RIDSSQSYBCMHRT-UHFFFAOYSA-N 203.236 2.736 0 40 BFAB Cc1nsc(-c2cnc(Cl)nc2Cl)n1 585090237 QQSKCWVLTYYMLQ-UHFFFAOYSA-N 247.110 2.610 0 40 BFAB Cc1ccc(OCc2ccccc2C)nn1 585650634 CVXJIFCVRJJBQA-UHFFFAOYSA-N 214.268 2.672 0 40 BFAB Nc1nc(-c2ccc(F)cc2F)c(F)s1 1536221901 SHGNXGPJVMZSRO-UHFFFAOYSA-N 230.214 2.810 0 40 BFAB COc1ccc(NCc2ccco2)cc1 300140 XOLWFGQYSFKMFU-UHFFFAOYSA-N 203.241 2.900 0 40 BFAB in-vitro Cc1ccc2ccccc2c1CP(=O)(O)O 1592240 IROGPQZGHLVZRV-UHFFFAOYSA-N 236.207 2.826 0 40 BFAB O=C(CNC1CCCCC1)c1ccccc1 1742362 KWSXEPSCFXBAJF-UHFFFAOYSA-N 217.312 2.792 0 40 BFAB O=C(CC1CCCC1)Nc1ccc2c(c1)OCO2 3462148 UVUDOZYPJGZVOE-UHFFFAOYSA-N 247.294 2.934 0 40 BFAB Cc1cc(C)cc(Nc2ncnc3[nH]cnc23)c1 4059874 OWQMQPYAUSWQDX-UHFFFAOYSA-N 239.282 2.713 0 40 BFAB c1ccc(CN[C@H]2C[C@H]3CC[C@@H]2C3)cc1 4900823 DOMDOUHZPYAOCT-MJBXVCDLSA-N 201.313 2.965 0 40 BFAB O=C(NCc1ccccc1)[C@H]1C[C@H]2CC[C@@H]1C2 5257354 XDJPRXQVKVZIMU-MJBXVCDLSA-N 229.323 2.739 0 40 BFAB CCc1ccccc1NC(=S)NC(C)C 7350555 VOEKNVNEQIWJCT-UHFFFAOYSA-N 222.357 2.944 0 40 BFAB Cc1cc(=O)[nH]c(S/C=C/c2ccccc2)n1 8772740 FDEIXCIVOCVFTJ-BQYQJAHWSA-N 244.319 2.841 0 40 BFAB CC(C)C(=O)Nc1ccnn1C1CCCC1 32739310 USAIVSFMSBEVQX-UHFFFAOYSA-N 221.304 2.593 0 40 BFAB COc1cc(F)ccc1NC(=O)C1CCCC1 32797022 DAJCQVKIROAIFD-UHFFFAOYSA-N 237.274 2.963 0 40 BFAB COc1ccc([C@@H](C)CC(=O)O)cc1Cl 34324823 VBMOEIOSCLQVCZ-ZETCQYMHSA-N 228.675 2.927 0 40 BFAB COCCN[C@H](c1ccccc1)C(C)C 35224329 JKTXUEHKDSVFKJ-ZDUSSCGKSA-N 207.317 2.620 0 40 BFAB Cc1cccc(-c2ccc(C(=O)O)n2C)c1 36917639 RUZSGKWYWCUGHY-UHFFFAOYSA-N 215.252 2.699 0 40 BFAB COc1cc(C)cc2c(C)c(C(=O)O)oc12 36928503 RRQSBMXZRNEZME-UHFFFAOYSA-N 220.224 2.756 0 40 BFAB in-vitro C=CC(=O)N[C@H](C)c1ccc(SC)cc1 37005344 PQMJYZAJEZBOHG-SECBINFHSA-N 221.325 2.772 0 40 BFAB N[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 37381479 WDWZYVCJRRSQDE-BDAKNGLRSA-N 201.191 2.520 0 40 BFAB CCc1nc(-c2ccc(N)cc2)oc1C 39321322 HSXMQRXMXTTXJO-UHFFFAOYSA-N 202.257 2.795 0 40 BFAB O[C@@H]1CCCc2c(Br)cccc21 40443055 JEDJGVSGTZKGFJ-SNVBAGLBSA-N 227.101 2.819 0 40 BFAB Cc1noc(C)c1CN1CCc2ccccc2C1 40460783 ICJDOXCZPHCMNV-UHFFFAOYSA-N 242.322 2.850 0 40 BFAB C[C@@H]1CCC[C@@H](C)N1C[C@@H]1CCCCCN1 40487620 DPQMTMQEYUBYSU-MCIONIFRSA-N 224.392 2.782 0 40 BFAB COc1ccc(C)c2cc(CN)c(Cl)nc12 41195184 ANQYSTZAEJIHGA-UHFFFAOYSA-N 236.702 2.664 0 40 BFAB CCCN(CC1CC1)C[C@@H](N)Cc1ccccc1 42491170 OIRDKWGVMWLVSP-INIZCTEOSA-N 246.398 2.678 0 40 BFAB COc1cccc(OC)c1C(=O)c1ccc(C)o1 43609155 FFKFKOKQZRONRA-UHFFFAOYSA-N 246.262 2.836 0 40 BFAB Cc1ccccc1OC[C@@H](C)NC(=O)C(C)C 55693191 KTYABQVPXPYBMJ-GFCCVEGCSA-N 235.327 2.535 0 40 BFAB CNC[C@@H](OC(C)C)c1c(F)cccc1F 62711705 KYPKZPDFSUNAJJ-LLVKDONJSA-N 229.270 2.650 0 40 BFAB Cc1csc(NC(=O)OCC(F)(F)F)n1 68584995 JMLRQPBJFHTAIT-UHFFFAOYSA-N 240.206 2.562 0 40 BFAB in-vitro c1coc(CNCc2csc(C3CC3)n2)c1 69877397 KXEDKHFQLLPSQK-UHFFFAOYSA-N 234.324 2.903 0 40 BFAB Cn1c(S)nnc1-c1ccc(F)c(Cl)c1 77394672 FHYFPNTWZQFUIK-UHFFFAOYSA-N 243.694 2.563 0 40 BFAB Cc1sc2nc(-c3ccoc3)[nH]c(=O)c2c1C 84065441 NHIKEJUFBKZJPR-UHFFFAOYSA-N 246.291 2.861 0 40 BFAB Cc1c(C(=O)O)oc2c1CC[C@@H](C(F)(F)F)C2 85399149 PWFUWMUKLQSXGQ-ZCFIWIBFSA-N 248.200 2.953 0 40 BFAB O=C(C1CCCC1)N1C[C@H]2CC=CC[C@@H]2C1 89817985 QZMUKQBDNHSLRM-CHWSQXEVSA-N 219.328 2.601 0 40 BFAB CC(=O)N(CCc1cccs1)Cc1ccoc1 90612263 CRCYMDILRSFWRQ-UHFFFAOYSA-N 249.335 2.932 0 40 BFAB CC(C)c1cc2ncc(Br)cn2n1 95483701 GNPYENKJJALUMM-UHFFFAOYSA-N 240.104 2.615 0 40 BFAB O=C(c1nccs1)c1cc(F)c(F)cc1F 95739876 XQCMHSHMHAFLLO-UHFFFAOYSA-N 243.209 2.791 0 40 BFAB Cc1cccc(NC(=O)N2CCCCCC2)n1 96013073 RGRWTOUUOHCQBO-UHFFFAOYSA-N 233.315 2.798 0 40 BFAB Cc1cc(COC(=O)C2CC2)c2ccccc2n1 96442142 RCTLPAXVCYQVPM-UHFFFAOYSA-N 241.290 2.996 0 40 BFAB Nc1c(-c2ccc(F)cc2)ncn1C1CC1 100761244 SOVZWPSENCYZAI-UHFFFAOYSA-N 217.247 2.606 0 40 BFAB CC(C)=CCOC(=O)c1cncc(C)c1 181465285 SILKRWNJRVDRDT-UHFFFAOYSA-N 205.257 2.513 0 40 BFAB Cc1cccc(C)c1N(C)CCCC(=O)O 203072941 AHNNFPDFUOHJQJ-UHFFFAOYSA-N 221.300 2.604 0 40 BFAB COC(=O)c1scc2c(Cl)ccnc12 257197935 NURMDMZSHXNWDN-UHFFFAOYSA-N 227.672 2.736 0 40 BFAB COc1ccc(OC)c(OC(C)(C)C)c1 2362804775 LXHPUVNGHHZICW-UHFFFAOYSA-N 210.273 2.881 0 40 BFAB CC(=O)c1ccc2c3c(ccc(N)c13)CC2 189706 DDYLMTWTJIVUDQ-UHFFFAOYSA-N 211.264 2.723 0 40 BFAB Cn1cccc(Br)c1=S 481334 JRWVHTLLVWXNRK-UHFFFAOYSA-N 204.092 2.517 0 40 BFAB C[C@@H]1CCC[C@](O)([C@H](C(=O)O)c2ccccc2)C1 1577604 ZXADRCVGENLGTA-OSAQELSMSA-N 248.322 2.796 0 40 BFAB C[C@@H]([C@@H](O)c1cccc2ccccc12)N(C)C 1706283 LMLDSGFONOLDDP-XHDPSFHLSA-N 229.323 2.823 0 40 BFAB Cc1cc(NC(=O)C2CC2)c2ccccc2n1 3136082 ASRBDAFKNPSLKB-UHFFFAOYSA-N 226.279 2.892 0 40 BFAB O=C1CSc2c(ccc3ccccc23)N1 3160503 XSNCRQKRORDOQQ-UHFFFAOYSA-N 215.277 2.884 0 40 BFAB CC(C)[C@H](CCN)[C@@H]1CCOC(C)(C)C1 4046506 WPYLQMXZEZDIRU-NEPJUHHUSA-N 213.365 2.813 0 40 BFAB biogenic C[C@H](CC(=O)OCc1ccccc1)n1ccnc1 6651054 MKAAOJVROHERPX-GFCCVEGCSA-N 244.294 2.578 0 40 BFAB CC[C@H](C)NC(=O)[C@H](C)Oc1ccc(C)cc1C 8041538 VQVXETFYVURVLR-STQMWFEESA-N 249.354 2.985 0 40 BFAB CCC[C@@H](Nc1cc(C)cc(C)c1)C(=O)O 8702817 OKKMVSPNBHBLNI-GFCCVEGCSA-N 221.300 2.969 0 40 BFAB Cc1ccc([C@H]2Nc3ccccc3C(=O)N2C)o1 9616800 GUCHGQFKDCDHRE-ZDUSSCGKSA-N 242.278 2.784 0 40 BFAB Cc1c2c(C(F)F)cc(Cl)nc2nn1C 12398312 DGAGYZJWBWJKKL-UHFFFAOYSA-N 231.633 2.868 0 40 BFAB Cc1ccnc(NC(=O)C[C@@H]2C=CCC2)c1 12552820 KOLIISCXEHHEBV-LLVKDONJSA-N 216.284 2.685 0 40 BFAB CC(C)=C[C@@H]1[C@@H](C(=O)NC(C)C)C1(C)C 12981283 KAKXBNHJXOBMRL-MNOVXSKESA-N 209.333 2.749 0 40 BFAB S=C(Nc1ccc(Cl)cc1)n1ccnc1 16428581 YVVBPGOCRPJJEI-UHFFFAOYSA-N 237.715 2.782 0 40 BFAB C[C@@H](NC(=O)c1ccoc1)c1ccc(F)cc1 21836042 OGRSMZOHHUNVBQ-SECBINFHSA-N 233.242 2.910 0 40 BFAB C=CC(=O)N1CCC[C@H]1c1cccs1 37828586 LKIMCRSPMPIFIY-VIFPVBQESA-N 207.298 2.598 0 40 BFAB Cc1ccccc1[C@H](C)NC(=O)C1CC1 42162574 LWDHHZNVWMTHBS-JTQLQIEISA-N 203.285 2.582 0 40 BFAB Cc1cc([C@@H](C)NC(=O)N2CCC2)c(C)s1 46601750 JWDXVQMZTLBMRW-SECBINFHSA-N 238.356 2.841 0 40 BFAB O=C(CCC1CCCC1)N1CCSCC1 49213301 UUESLQQKTXKHNB-UHFFFAOYSA-N 227.373 2.532 0 40 BFAB CSc1nc(N)cc(Nc2ccc(C)cc2)n1 49467350 OJRCUMMYKJFLBV-UHFFFAOYSA-N 246.339 2.833 0 40 BFAB C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1 70586666 SHAVEQAQWNRALP-SCZZXKLOSA-N 240.144 2.915 0 40 BFAB COc1ccc2c(C(F)(F)F)cc(=O)[nH]c2c1 71782093 QYGPHDXLGPNGIL-UHFFFAOYSA-N 243.184 2.556 0 40 BFAB CCCCN1CCC[C@@H]1c1c[nH]c(=O)c(C)c1 72217963 VNBLRVJJARNRJA-CYBMUJFWSA-N 234.343 2.620 0 40 BFAB Cc1nc(Cl)nn1CCCc1ccccc1 72324047 GMWPFUPBRDAPRI-UHFFFAOYSA-N 235.718 2.873 0 40 BFAB COCCN1CCC(c2ccccc2)CC1 77910058 AGKFFJBDEIUQJN-UHFFFAOYSA-N 219.328 2.512 0 40 BFAB COC[C@H]1CCN(c2ccnc3ccsc23)C1 78296922 NSTBIUFIGFXXCC-JTQLQIEISA-N 248.351 2.769 0 40 BFAB CCOC(=O)[C@H](C)n1ccc2ccccc21 82170037 FYCWDFQQAZYIFZ-JTQLQIEISA-N 217.268 2.765 0 40 BFAB Cc1cc(CCC(=O)O)c(C)n1C(C)C 82594849 MXDGIHCFEQPLKB-UHFFFAOYSA-N 209.289 2.703 0 40 BFAB CCCOc1ccc(NC(=O)CSC)cc1 85261095 MDMPTXZVEMKJHS-UHFFFAOYSA-N 239.340 2.777 0 40 BFAB C1CCCC(c2noc(CNC3CC3)n2)CC1 87945311 PLBKXOSUYNGUNA-UHFFFAOYSA-N 235.331 2.759 0 40 BFAB in-vitro Cc1nc(-c2ccccc2F)ccc1C(=O)O 95098403 CSPFAWWRCXEYHK-UHFFFAOYSA-N 231.226 2.894 0 40 BFAB COCc1nc(C)cc(N2CCCCCCC2)n1 95401384 SJIWTJLPIHUGIJ-UHFFFAOYSA-N 249.358 2.702 0 40 BFAB O=Cc1ccc(F)cc1COCC1CC1 95738720 IWDBHNIPLLWWPE-UHFFFAOYSA-N 208.232 2.565 0 40 BFAB CC(=O)NCCOc1c(Cl)cccc1Cl 96191859 REWHAICTTQQHCL-UHFFFAOYSA-N 248.109 2.508 0 40 BFAB CC1(C)[C@@H]2CC[C@]1(C)[C@H](SCCO)C2 100098266 AGZBMLIJEPVRHP-CKYFFXLPSA-N 214.374 2.927 0 40 BFAB COc1c(F)cc(F)cc1C(=O)C(F)(F)F 100800030 FUIKFXKRRGXQTG-UHFFFAOYSA-N 240.127 2.718 0 40 BFAB C[C@H]1CO[C@H](C[C@H](C)c2ccccc2)O1 101619923 JVVKHPVHCMSPGX-GVXVVHGQSA-N 206.285 2.942 0 40 BFAB CCN(CC)[C@H](Cc1cc(C)cc(C)c1)C(=O)O 107843843 JWOIMZFGTDSJHO-CQSZACIVSA-N 249.354 2.641 0 40 BFAB CC1(c2nc(-c3n[nH]c4ccccc34)no2)CC1 544968799 ZYAMMIHFPMGXNJ-UHFFFAOYSA-N 240.266 2.664 0 40 BFAB FC12CC(c3cc(Cl)nnc3Cl)(C1)C2 1772820946 HDDPQYINIBQJMN-UHFFFAOYSA-N 233.073 2.927 0 40 BFAB Cn1cnc(-c2cccc(Cl)c2Cl)n1 2362801619 LTJJQDNYVYDKIQ-UHFFFAOYSA-N 228.082 2.789 0 40 BFAB COc1nc(-c2ccccc2)nc(C)c1C 343594 SJQPAVIZZKRMHD-UHFFFAOYSA-N 214.268 2.769 0 40 BFAB CC(=O)CCc1ccc(Br)cc1 730512 RCQQHTLGGMFKGG-UHFFFAOYSA-N 227.101 2.971 0 40 BFAB in-vitro O=C(c1ccccc1)N1OCCc2ccccc21 1608536 CUPIOYRNNUVJAE-UHFFFAOYSA-N 239.274 2.821 0 40 BFAB CCCCN(C)Cc1cc(OC)ccc1OC 4689882 YUSJCVDQKJTALJ-UHFFFAOYSA-N 237.343 2.936 0 40 BFAB CCOC(=O)/C=C\[C@@H]1C[C@@H]1c1ccccc1 4728860 PEEFCGIMKBGSEH-WACGGTQYSA-N 216.280 2.909 0 40 BFAB CCN(CC)C(=O)[C@H]1C[C@@H]1c1ccccc1 4729125 FTDZCEDFSJFQCS-OLZOCXBDSA-N 217.312 2.659 0 40 BFAB Cc1cc(Sc2ccc(N)cc2)nc(C)n1 5336994 RJWAZFZZYBOIQI-UHFFFAOYSA-N 231.324 2.827 0 40 BFAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1C[C@@H]1C 5696804 ODKGPKDUWUIWBK-SGMGOOAPSA-N 231.339 2.780 0 40 BFAB CN(C)C(=O)c1cc2cc(Cl)ccc2[nH]1 12908219 LKUUBZGOOXIEOA-UHFFFAOYSA-N 222.675 2.523 0 40 BFAB C[C@@H](c1ccccc1)C1O[C@@H](C)[C@@H](C)O1 17300972 FQSZRLNVLSXEPD-HQFGAJJPSA-N 206.285 2.940 0 40 BFAB Cc1cccc(CNc2c(C)nn(C)c2C)c1 20134614 XTSBICCAOUPEGC-UHFFFAOYSA-N 229.327 2.957 0 40 BFAB NC(=O)c1cc(Cl)cc(Cl)c1Cl 20154667 CYKGHHZHZXUCMX-UHFFFAOYSA-N 224.474 2.746 0 40 BFAB O[C@H](CNCc1ccccc1)c1ccc(F)cc1 26897842 KKOSEYACVNUUPB-OAHLLOKOSA-N 245.297 2.649 0 40 BFAB CCn1nc(C)cc1NC(=O)Nc1ccccc1 28579475 WNXRZWDNFOAFLQ-UHFFFAOYSA-N 244.298 2.855 0 40 BFAB NNc1nc2ccc3ccccc3c2s1 32500105 HZYILFQYTUJPBW-UHFFFAOYSA-N 215.281 2.735 0 40 BFAB NC(=O)c1ccnc(-c2ccc(Cl)s2)c1 32537428 YTEVOWVESTWEKD-UHFFFAOYSA-N 238.699 2.562 0 40 BFAB C[C@@H]1C[C@@H](C)CN(c2nsnc2Cl)C1 35232163 NFGDQBJTXAKMLW-RNFRBKRXSA-N 231.752 2.674 0 40 BFAB C[C@H]1CNC[C@@H](c2cccc(C(F)(F)F)c2)O1 36986377 RJEZAXRIVUILRZ-KWQFWETISA-N 245.244 2.755 0 40 BFAB in-vitro COc1ccc(SCc2nc(C)no2)cc1 40049358 HTARZWXTIZQZLN-UHFFFAOYSA-N 236.296 2.679 0 40 BFAB COc1ccc([C@H](O)c2ccco2)cc1F 40263111 QJPYAVDYYQMYJY-LBPRGKRZSA-N 222.215 2.509 0 40 BFAB CN(CC1CCOCC1)c1cccc(Cl)n1 42783679 MWZZUYJMSPCETB-UHFFFAOYSA-N 240.734 2.598 0 40 BFAB Cc1cccc(C)c1C(=O)C[C@H](C)CC(=O)O 43214301 JXNVEMDRLFYSHU-VIFPVBQESA-N 234.295 2.987 0 40 BFAB Cc1cccnc1NC(=O)Cc1ccsc1 57625683 YTYWQKBCQSKTHS-UHFFFAOYSA-N 232.308 2.633 0 40 BFAB Cc1ccc(NC(=O)C2=COCCC2)c(F)c1 58311989 BSQSMZSYNYYDFP-UHFFFAOYSA-N 235.258 2.767 0 40 BFAB CNC(=O)CS[C@@H](C)c1ccc(Cl)cc1 59932990 GAQBESCLPRSQIS-QMMMGPOBSA-N 243.759 2.880 0 40 BFAB C[C@H]1CC(C(=O)O)C[C@@H](C)N1Cc1ccccc1 72206929 XQLOXEGMRWFFRY-ONXXMXGDSA-N 247.338 2.760 0 40 BFAB CC(=O)N1CCCC[C@@H]1c1ccc(F)cc1 72221862 HGEFIHGYXSPZKW-CYBMUJFWSA-N 221.275 2.899 0 40 BFAB CCOC(=O)CCCOc1ccccc1F 75881203 OBGCOSPPHPGCDS-UHFFFAOYSA-N 226.247 2.548 0 40 BFAB Fc1c(Cl)cccc1CNC[C@@H]1CCCO1 83372123 NHYFKQLBRBAHSQ-JTQLQIEISA-N 243.709 2.748 0 40 BFAB CC(C)Cc1nc(Cl)cc(Cl)n1 84691111 IRJXGGROVGQOCR-UHFFFAOYSA-N 205.088 2.982 0 40 BFAB O=C(C1CCCC1)N1CCOc2cccc(F)c21 89800189 AGYHWJNDUUBPLY-UHFFFAOYSA-N 249.285 2.741 0 40 BFAB C[C@H]1CN(Cc2csnn2)c2ccccc21 97236467 RRLDREGZPUUFBV-VIFPVBQESA-N 231.324 2.662 0 40 BFAB C(=C/c1nc([C@H]2CCOC2)no1)\c1ccccc1 98019207 YJMHLHZCCOGPPI-SYTKJHMZSA-N 242.278 2.744 0 40 BFAB Cc1cc(C)c2c(NCCCN)ccnc2c1 222677272 ZWKNQAVCYHZABK-UHFFFAOYSA-N 229.327 2.612 0 40 BFAB COc1ccc(C(=O)N[C@H](C)C(C)C)cc1C 225232006 WYVIEHBSBNTSIY-LLVKDONJSA-N 235.327 2.778 0 40 BFAB Cc1cnc([C@@H](C)N2CCCC3(CC3)C2)cn1 335893388 LLCPBWYUGQUZSF-GFCCVEGCSA-N 231.343 2.722 0 40 BFAB CC(C)(C)[C@H](N)c1ccc([N+](=O)[O-])c(F)c1 380512073 OJYLCSMEAHBSEV-SNVBAGLBSA-N 226.251 2.780 0 40 BFAB Cc1cccc(COc2ncccc2C)n1 585654199 FDNRRZMZPZPPKR-UHFFFAOYSA-N 214.268 2.672 0 40 BFAB FC(F)(F)c1cccnc1O[C@@H]1CCSC1 585654770 LOVOHTCXVPPQFF-SSDOTTSWSA-N 249.257 2.985 0 40 BFAB Cn1cnc(-c2ccc(F)cc2C(F)(F)F)n1 2362801833 UTJRNKZGANIMDO-UHFFFAOYSA-N 245.179 2.640 0 40 BFAB CCN(CC)CCn1c(C)nc2ccccc21 255083 UKQQSEKHHQHVQH-UHFFFAOYSA-N 231.343 2.687 0 40 BFAB C[C@@H](Sc1ccc2ccccc2n1)C(=O)O 553696 JLYPYACZXPBHLU-MRVPVSSYSA-N 233.292 2.800 0 40 BFAB CCOC(=O)CCCCCO[C@H]1CCCCO1 1613273 ZEKNHYYXGFWGNI-CYBMUJFWSA-N 244.331 2.653 0 40 BFAB O=C(Cc1ccccc1)N[C@@H]1C[C@H]2CC[C@@H]1C2 4701836 OLEYLXPQZIODGT-BFHYXJOUSA-N 229.323 2.534 0 40 BFAB COc1cc2ccc([C@H](C)N)cc2cc1OC 6487623 CLOAAIICKDCQML-VIFPVBQESA-N 231.295 2.877 0 40 BFAB O=C(O)CCSCc1c[nH]c2ccccc12 9667362 YQKXMUZBJDTXBT-UHFFFAOYSA-N 235.308 2.876 0 40 BFAB CCOc1cc2ccccc2cc1C(=O)N(C)C 12553554 ZUEGEJGRGNIXBT-UHFFFAOYSA-N 243.306 2.940 0 40 BFAB Cc1nc2c(F)cccc2c2c1COC2 12950655 JKCDKWGKHYLOCP-UHFFFAOYSA-N 203.216 2.713 0 40 BFAB Cc1cc(CSc2nc(C(C)C)n[nH]2)on1 14186166 YUKNKSHSXVIPKC-UHFFFAOYSA-N 238.316 2.517 0 40 BFAB Cc1cc(C)cc(OC[C@@H]2CCCNC2)c1 14631221 LIMILWFSSONKFZ-CYBMUJFWSA-N 219.328 2.682 0 40 BFAB O=C1N=C2C=CC=CN2/C1=C\C=C\c1ccccc1 16450880 CWMKUDQJWPSZJE-NHZNEZGNSA-N 248.285 2.908 0 40 BFAB COCCOc1ccc(F)cc1Br 19440418 NEMFJZZSROPSIA-UHFFFAOYSA-N 249.079 2.613 0 40 BFAB Cc1ccc(NC(=O)c2cccc(F)c2)cc1N 19472585 KJSSQYKQSPLECZ-UHFFFAOYSA-N 244.269 2.969 0 40 BFAB O=C1CC[C@@]2(c3ccccc3)CCCC[C@@H]2N1 22339814 XYFGEZKHSOPVRG-DZGCQCFKSA-N 229.323 2.777 0 40 BFAB CN(C)c1ccnc(SCc2ccccc2)n1 28287740 HIDJEZWNTLVTPZ-UHFFFAOYSA-N 245.351 2.835 0 40 BFAB O=c1cc[nH]c2cc(Cl)c(Cl)cc12 32099523 OIBDGJOVXZXMSP-UHFFFAOYSA-N 214.051 2.835 0 40 BFAB COc1cccc(C=O)c1OCC(C)C 34924785 CYLWMLRTRHTPFH-UHFFFAOYSA-N 208.257 2.543 0 40 BFAB CC[C@@H](N)Cc1ccc(Br)cc1 36778965 FXNKUUXUTXCDLM-SNVBAGLBSA-N 228.133 2.729 0 40 BFAB CC(C)Oc1c(C(=O)O)oc2ccccc12 39186635 XAGFBPDWZBXKKL-UHFFFAOYSA-N 220.224 2.918 0 40 BFAB CC(C)(C)NC(=O)CSCc1cccs1 40460909 SORJITFUEXOBIS-UHFFFAOYSA-N 243.397 2.896 0 40 BFAB CCOC(=O)c1ccc(NCC(C)C)c(N)c1 41079807 CFFANIUCOVUQFL-UHFFFAOYSA-N 236.315 2.513 0 40 BFAB Cc1cc(C)c2nccc(O[C@H](C)C(=O)O)c2c1 45928310 GFAWBEOGVFTBGC-SNVBAGLBSA-N 245.278 2.704 0 40 BFAB CC[C@H](C)NC(=O)CCOc1ccccc1F 46463897 WDXQUCCEZGBJQJ-JTQLQIEISA-N 239.290 2.509 0 40 BFAB Cc1nc(CSc2cc(F)ccc2F)no1 57709665 YJRPHIVARLJWAZ-UHFFFAOYSA-N 242.250 2.949 0 40 BFAB Cc1noc([C@H](C)Oc2ccc(F)cc2)n1 69618045 NOKNZLOSMFKCDH-ZETCQYMHSA-N 222.219 2.657 0 40 BFAB CC(C)CCCNC(=O)[C@@H]1CC=CCC1 71800823 LAECIEFPDXNCQG-GFCCVEGCSA-N 209.333 2.895 0 40 BFAB COc1ccc([C@@H]2CCCN2C(C)C)c(C)n1 72218075 XMOMAAZJAIUDBG-ZDUSSCGKSA-N 234.343 2.944 0 40 BFAB CCCCN1CCC[C@@H]1c1ccc(N)nc1C 72218565 IBSKPVLEQCOIGW-CYBMUJFWSA-N 233.359 2.909 0 40 BFAB CC[C@H](O)c1ccc(N(CC)CC)nc1C 72224304 JMZMWQPPXKKMKR-LBPRGKRZSA-N 222.332 2.680 0 40 BFAB C[C@@H](CO)SCc1ccc2ccccc2n1 79101702 OLRMHADPFNNGCW-JTQLQIEISA-N 233.336 2.849 0 40 BFAB CN(CCC(=O)O)Cc1ccc2ccccc2c1 89340321 LJIZKJANNAWHQE-UHFFFAOYSA-N 243.306 2.746 0 40 BFAB CC(C)c1ocnc1C(=O)N1C[C@H]2[C@@H](C1)C2(C)C 95401725 JMZBPALLIUYGPI-AOOOYVTPSA-N 248.326 2.526 0 40 BFAB CCC(CC)[S@@](=O)Cc1ccn(C(C)C)n1 95418331 WWQIDMNTJRSOFT-MRXNPFEDSA-N 242.388 2.901 0 40 BFAB C[C@H](NC(=O)N[C@H](C)c1ccco1)C1CCC1 95440215 XMSRJQXUOSFDPE-VHSXEESVSA-N 236.315 2.828 0 40 BFAB CCC(=O)c1cc(F)c(F)c(OC)c1 95729622 RDLVJVWJVQROPF-UHFFFAOYSA-N 200.184 2.566 0 40 BFAB c1ccc2c(c1)oc1c(N3CCCO3)ncnc12 96011366 NLGUWRBLLKZGMM-UHFFFAOYSA-N 241.250 2.518 0 40 BFAB CC(=O)c1coc2ccc(O)c(Cl)c12 96509884 STYSEGCDZUTWNM-UHFFFAOYSA-N 210.616 2.994 0 40 BFAB CC[C@H](NN)c1cccc(C(F)(F)F)c1F 161800483 FAPYSNLZTAGELS-QMMMGPOBSA-N 236.212 2.759 0 40 BFAB Cc1csc(-c2cc([C@@H]3CCCN3)ccn2)n1 205690688 YKXHCJFQPOLWFS-NSHDSACASA-N 245.351 2.938 0 40 BFAB CC1(C)[C@@H](O)[C@@]2(Br)CC[C@@]1(C)C2 216528359 NDKVCUVWTLQJQW-FKTZTGRPSA-N 233.149 2.711 0 40 BFAB O=CNc1cccc(-c2nc3ccccc3[nH]2)c1 225269420 YRYKRYIMMFZSKZ-UHFFFAOYSA-N 237.262 2.798 0 40 BFAB CCN(CC)C(=O)[C@H](C)Oc1ccc(C)c(C)c1 311203183 LIQTZIDFARMNGE-ZDUSSCGKSA-N 249.354 2.939 0 40 BFAB Cc1nccnc1O[C@@H]1CCc2ccccc21 585650905 HRFWFHZUUZUDCQ-CYBMUJFWSA-N 226.279 2.851 0 40 BFAB O=C(Nc1cnc2c(F)c(F)ccc2c1)C1CC1 1537153264 WICLCEXZUUGRBG-UHFFFAOYSA-N 248.232 2.862 0 40 BFAB FC(F)C12CC(I)(C1)C2 1857784898 UDGHYIXBMPAKQH-UHFFFAOYSA-N 244.022 2.609 0 40 BFAB c1ccc(C2=NO[C@@H](c3ccsc3)N2)cc1 3255812 SQWSKQMRENKWSF-LBPRGKRZSA-N 230.292 2.728 0 40 BFAB COC(=O)Nc1ccc(F)c(Cl)c1 6126163 NHARMQRXAXLNNN-UHFFFAOYSA-N 203.600 2.657 0 40 BFAB CCOCCCNCc1ccc(CC)cc1 6356205 RRGFFYMKZMSLLS-UHFFFAOYSA-N 221.344 2.765 0 40 BFAB CCC[C@H](Oc1cc(C)ccc1C)C(=O)O 8730642 DQVHWOYGGWPKQE-NSHDSACASA-N 222.284 2.936 0 40 BFAB CCCCNCc1cc2ccccc2nc1O 9281945 HFAKGWFHRDAKQY-UHFFFAOYSA-N 230.311 2.830 0 40 BFAB Cc1ccccc1[C@H]1CC(=O)c2c(C)n[nH]c2C1 10156795 KIBTWHCNLFAAOA-LLVKDONJSA-N 240.306 2.939 0 40 BFAB O=C(Nc1cc(F)cc(F)c1)c1ccncc1 10663739 WGPLPYZLOPAYHM-UHFFFAOYSA-N 234.205 2.612 0 40 BFAB Cc1ccc(C(=O)NCc2ccc(F)c(C)c2)o1 10999743 DRDSUGZAFSJMFB-UHFFFAOYSA-N 247.269 2.966 0 40 BFAB COc1cc(N)c2ncccc2c1SC 11535869 REILYLRJGBQSOT-UHFFFAOYSA-N 220.297 2.548 0 40 BFAB C[C@H](NC(=O)c1ccsc1)c1ccncc1 12539575 LOWRFHGGQPBERI-VIFPVBQESA-N 232.308 2.634 0 40 BFAB CN(C)/C=C/C(=S)N(C)c1ccccc1 16163017 PEBRPGDJFUXMOT-MDZDMXLPSA-N 220.341 2.526 0 40 BFAB COc1ccc([C@@H](C)NC(=O)[C@H]2C[C@@H]2C)cc1 16971610 COSNGNOZECLPTG-CWSCBRNRSA-N 233.311 2.528 0 40 BFAB CC[C@@H](C)NCc1cc(OC)ccc1OC 19882755 UPQYKMWEBHXEMT-SNVBAGLBSA-N 223.316 2.592 0 40 BFAB Cc1ccc(NCCC(=O)O)cc1Cl 20133737 LEGMSTVMNKFIPR-UHFFFAOYSA-N 213.664 2.535 0 40 BFAB in-vitro CCCn1ccc(NCc2cccc(O)c2)n1 20352773 FEYHWRJGGMCCMA-UHFFFAOYSA-N 231.299 2.611 0 40 BFAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NC 22519561 TUKHELVOKCZDNS-CYBMUJFWSA-N 243.306 2.743 0 40 BFAB O=C(/C=C/c1ccco1)NC(C1CC1)C1CC1 22534254 VOGKDOKOHXTIOT-BQYQJAHWSA-N 231.295 2.598 0 40 BFAB CCCn1nccc1C(=O)Nc1cccc(F)c1 32609958 LZWLNNNEAKVGKD-UHFFFAOYSA-N 247.273 2.685 0 40 BFAB O=C(NCCc1ccccc1F)[C@H]1CC=CCC1 32676242 KNNBRCSZICAAGB-ZDUSSCGKSA-N 247.313 2.841 0 40 BFAB Clc1nc(Cc2ccccc2)ns1 34361497 PUGFKQSEHPLELH-UHFFFAOYSA-N 210.689 2.782 0 40 BFAB in-vitro O[C@@H](Cc1ccc(Br)cc1)C1CC1 37465574 RTNMPZADQXXCDT-NSHDSACASA-N 241.128 2.763 0 40 BFAB in-vitro C[C@H](Oc1cccnc1N)c1ccccc1 39279578 PPDXZQYCEONNNJ-JTQLQIEISA-N 214.268 2.804 0 40 BFAB Cc1cc(CSc2cc(C)nc(C)n2)on1 40090164 MMJBDSXWRKEHEG-UHFFFAOYSA-N 235.312 2.682 0 40 BFAB CCc1nnc(-c2ccc(F)c(F)c2)o1 40350612 GDLMPNHMLAFVNZ-UHFFFAOYSA-N 210.183 2.577 0 40 BFAB CN(CC1CCCCC1)C(=O)C1CCC1 40493730 IENCQOBTABUSCP-UHFFFAOYSA-N 209.333 2.825 0 40 BFAB Cc1cc(C(=O)N2CC[C@H]3CCCC[C@H]3C2)no1 41591603 AZZZYRWGWNOQJN-NEPJUHHUSA-N 248.326 2.635 0 40 BFAB CN(Cc1ccncc1)C(=O)NC1CCCCC1 42758600 LZDTZCDBPLBYJL-UHFFFAOYSA-N 247.342 2.556 0 40 BFAB Cc1cccc(C(=O)c2ccc(F)cc2F)n1 45028501 WFUUUNFZSYFLHV-UHFFFAOYSA-N 233.217 2.899 0 40 BFAB CC[C@H]1CN[C@H](CC)CN1Cc1ccccc1 71372309 OGTGPQVLSNVPIB-CABCVRRESA-N 232.371 2.649 0 40 BFAB in-vitro c1ccc(N2CC[C@H]3CCCC[C@@H]32)nc1 80972548 ZCFZTNRSWIDGOO-NEPJUHHUSA-N 202.301 2.851 0 40 BFAB O=C(O)c1cncc2cc(Cl)ccc12 82806827 VVEUHHQNMUBKHA-UHFFFAOYSA-N 207.616 2.586 0 40 BFAB Cc1ccccc1CSc1cc(N)ncn1 87851368 LHYNPHLRMPOCPH-UHFFFAOYSA-N 231.324 2.660 0 40 BFAB CC(=O)c1cc(Cl)nc(C(F)(F)F)c1 95761251 LXJOBCVOPIXNJH-UHFFFAOYSA-N 223.581 2.956 0 40 BFAB Fc1ccc(Br)nc1Cl 95763733 KPQMWTHSSFZPMJ-UHFFFAOYSA-N 210.433 2.637 0 40 BFAB Cc1cccnc1NC(=O)[C@@H]1C[C@H]2CC[C@H]1C2 102062558 VMSSNHZUSHHPTL-SDDRHHMPSA-N 230.311 2.765 0 40 BFAB Cc1csc(NC(=O)[C@H]2C[C@@H]3CC[C@@H]2C3)n1 102070348 TWKOKBQQEGAVOJ-BBBLOLIVSA-N 236.340 2.826 0 40 BFAB c1ccc(OCCN2C[C@H]3CCC[C@H]3C2)cc1 153303344 SUVDYCAUPCDFJO-OKILXGFUSA-N 231.339 2.797 0 40 BFAB COc1ccc(-c2cccnc2F)cc1C=O 167107396 NIGJCIHRBCUOCO-UHFFFAOYSA-N 231.226 2.709 0 40 BFAB Cc1ccc([C@@H](C)NN)c2ccccc12 199534887 BXVHVPWNWUEQNM-SNVBAGLBSA-N 200.285 2.673 0 40 BFAB CC1(C)Cc2c(ccc3ccccc23)C(=O)N1 189898 YARODWJTFQXXIT-UHFFFAOYSA-N 225.291 2.904 0 40 BFAB Cc1cc(C)n(C(=O)Cc2ccc(F)cc2)n1 303548 HNRRVSIOIOJNJR-UHFFFAOYSA-N 232.258 2.522 0 40 BFAB Cc1ccc(Nc2nc(CC(=O)O)cs2)cc1 874101 QZDDQBDGCWWPRA-UHFFFAOYSA-N 248.307 2.822 0 40 BFAB C[C@H](NC(=O)c1ccccc1)c1ccc(O)cc1 1445994 AIXMWCAPWLPPLG-NSHDSACASA-N 241.290 2.883 0 40 BFAB COC(=O)[C@H](c1ccccc1)C1(O)CCCCC1 1577603 NBTORCJZHHCBEP-ZDUSSCGKSA-N 248.322 2.638 0 40 BFAB COc1ccc([C@@H]2OCC[C@H](C)O2)cc1OC 1677007 MSPASFGBWTVGSN-TVQRCGJNSA-N 238.283 2.528 0 40 BFAB OCCOC1c2ccccc2-c2ccccc21 1724495 HMFZUUMIBXZDNX-UHFFFAOYSA-N 226.275 2.765 0 40 BFAB O=P(O)(O)C(c1ccccc1)c1ccccc1 2146584 JDRCQIRZJMJGMW-UHFFFAOYSA-N 248.218 2.954 0 40 BFAB Cc1ccc(Oc2ncccc2CO)cc1 3105735 NAJDZBPSUQOZES-UHFFFAOYSA-N 215.252 2.675 0 40 BFAB CCOCCCNc1ncnc2sccc12 3279512 HCCQBYHVVAZJOE-UHFFFAOYSA-N 237.328 2.530 0 40 BFAB O=C(O)CCC(=O)C/C=C/Cc1ccccc1 3845488 WAUSLDMUJCKLHW-SNAWJCMRSA-N 232.279 2.609 0 40 BFAB CC(C)OC(=O)C[C@@H](N)c1ccccc1Cl 4219115 ZVVXDKNOZWPPAM-LLVKDONJSA-N 241.718 2.682 0 40 BFAB in-vitro CCCC(=O)NC(=S)Nc1ccccc1C 5524521 HMAFLBNSCLNJEF-UHFFFAOYSA-N 236.340 2.608 0 40 BFAB Cc1ccc([C@@H](O)[C@@H](N)c2ccccc2)cc1 5546298 CPTGAOPLCQIBTJ-LSDHHAIUSA-N 227.307 2.728 0 40 BFAB S=C(Nc1ccncc1)NC1CCCCC1 5800825 HMBYKXFYLRVOEF-UHFFFAOYSA-N 235.356 2.701 0 40 BFAB CCOc1ccccc1CN[C@@H](C)CC 5907943 KMGHXUSBVKMPAY-NSHDSACASA-N 207.317 2.973 0 40 BFAB CCN(CC)CCCNC(=O)Nc1ccccc1 6462736 JTFKZNNGGRFTBY-UHFFFAOYSA-N 249.358 2.540 0 40 BFAB Cc1nc2[nH]nc(Cl)c2c(C)c1Cl 6668359 ULLVLZWMSCSRQC-UHFFFAOYSA-N 216.071 2.882 0 40 BFAB O=C(Nc1ccc(F)cc1)OCC(F)(F)F 7989006 USGDKDSLXCJNIS-UHFFFAOYSA-N 237.152 2.937 0 40 BFAB CCOC(=O)OC/C=C\c1ccccc1 8615054 WYLLQLJZPWNHMA-TWGQIWQCSA-N 206.241 2.873 0 40 BFAB Cc1ccc(N[C@H](C(N)=O)c2ccccc2)cc1 12540837 BHLHTMCGQAJHSU-AWEZNQCLSA-N 240.306 2.634 0 40 BFAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O[C@H]1C=CC(=O)O1 16036018 URWJVUPZIGIVFZ-NRWUCQMLSA-N 238.327 2.903 0 40 BFAB CC[C@@H](C)[C@@H](N)c1ccc2c(c1)OCCCO2 19968028 HUSRCLWUPIDYKW-QMTHXVAHSA-N 235.327 2.894 0 40 BFAB CC(C)C[C@]1(C)N=C(c2ccccc2)N(C)C1=O 24718237 RAEWUNUWJKICKW-HNNXBMFYSA-N 244.338 2.710 0 40 BFAB CCCCc1nc2cc(NC(C)=O)ccc2[nH]1 32628487 PJQFKAXVABNTKU-UHFFFAOYSA-N 231.299 2.864 0 40 BFAB in-vitro O=C(CCc1ccco1)NC1CCCCC1 36140141 SOGWXGDSSNVDSP-UHFFFAOYSA-N 221.300 2.661 0 40 BFAB CN(C)[C@H](C(=O)O)c1c(Cl)cccc1Cl 37358231 CFGNAMWXSJGORO-VIFPVBQESA-N 248.109 2.681 0 40 BFAB CCCN(CCC)c1ccc(C(=O)O)cc1N 37930220 BGLZDNUGQNAFEU-UHFFFAOYSA-N 236.315 2.593 0 40 BFAB O=C(C1CCCC1)N1CCC[C@@H](C(F)(F)F)C1 40462025 NOYVMDDMOFZOFS-SNVBAGLBSA-N 249.276 2.978 0 40 BFAB OC[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 62720275 NMCQHEXVLGPBQM-PSASIEDQSA-N 216.202 2.801 0 40 BFAB CCCc1noc(-c2ccc[nH]c2=S)n1 67341058 ZJQRUNDPTIPGDO-UHFFFAOYSA-N 221.285 2.747 0 40 BFAB Clc1ccccc1CNc1nncs1 69965687 JVRQKTOGOMRVJJ-UHFFFAOYSA-N 225.704 2.804 0 40 BFAB CCOc1ncccc1[C@H]1CCCCN1C 72211854 VHUAAWYMKMQILA-GFCCVEGCSA-N 220.316 2.637 0 40 BFAB CCCCNc1ncccc1C1=NCCC1 72213579 PIVOFAUFOUXTIN-UHFFFAOYSA-N 217.316 2.877 0 40 BFAB Cc1cc(C=O)cnc1N(C)c1ccccc1 72222291 GXGHIEYSKFRXDB-UHFFFAOYSA-N 226.279 2.970 0 40 BFAB COCC(=O)Nc1cc(C(F)(F)F)ccc1C 73853984 HOWIPNREGUFWQE-UHFFFAOYSA-N 247.216 2.599 0 40 BFAB CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1C(F)F 82162991 LRNVUWPJESBIRD-BQBZGAKWSA-N 221.247 2.555 0 40 BFAB CC(C)(C(=O)Nc1cccnc1)c1ccccc1 82261657 DLIHCGKMOOWSPR-UHFFFAOYSA-N 240.306 2.998 0 40 BFAB O=C(O)c1ncsc1CCc1ccccc1 85389403 JRTIJUWHOUJXHL-UHFFFAOYSA-N 233.292 2.627 0 40 BFAB COC[C@H](C)Nc1ccnc2ccsc12 95407703 SOKDHFIZQJACAD-QMMMGPOBSA-N 222.313 2.743 0 40 BFAB COCc1c(Cl)cccc1NC(=O)C1CC1 95414306 FYZIMLFQXQZVSC-UHFFFAOYSA-N 239.702 2.835 0 40 BFAB CCOc1ccc(F)cc1C(=O)C(F)(F)F 95727216 RHJAIZBXYYEHSC-UHFFFAOYSA-N 236.164 2.969 0 40 BFAB CCCC(=O)N[C@@H]1CCC[C@@H]1SCC 96450664 KSALHUBUULOPBW-ZJUUUORDSA-N 215.362 2.577 0 40 BFAB c1ncn(-c2ccc(OC3CCCC3)cc2)n1 97114867 IIDUFLCMVKAWNL-UHFFFAOYSA-N 229.283 2.589 0 40 BFAB CN1C(=O)C[C@H]2c3ccccc3O[C@]13CCC[C@H]23 100218220 WCHBGJWZFJETEI-ZOWXZIJZSA-N 243.306 2.521 0 40 BFAB CC1(C)C[C@H]2[C@H]1CC[C@]1(C)C[C@]2(O)CC[C@@H]1O 104080792 SFJOMLIUSIKKRA-CYHVGBIXSA-N 238.371 2.725 0 40 BFAB Cc1nc(-c2cccs2)ccc1C(=O)N(C)C 130902894 ONXHGSIDOQICMI-UHFFFAOYSA-N 246.335 2.820 0 40 BFAB Cc1ccsc1CN1CC[C@@H](c2ccn[nH]2)C1 205676267 VYRDEARTBXNMIW-LLVKDONJSA-N 247.367 2.769 0 40 BFAB C[C@@H](Cc1ccoc1)NC(=O)/C=C/c1ccoc1 206718854 FVESPFABUYEYHE-VUDBWIFFSA-N 245.278 2.633 0 40 BFAB O=C(NCC1=CCCCC1)c1ccco1 223447059 FGTKXTOISSFLDH-UHFFFAOYSA-N 205.257 2.510 0 40 BFAB CCCCn1cc([C@@H]2CCCCCN2)cn1 225775593 OSYNATNPYBOPIL-ZDUSSCGKSA-N 221.348 2.888 0 40 BFAB CC1(C)C[C@@H](N)C[C@H](Oc2ncccc2F)C1 694574314 IRTPJTIMZMOCNY-UWVGGRQHSA-N 238.306 2.506 0 40 BFAB CCC(=O)Nc1nnc(-c2ccc(C)cc2)s1 40671 FZIMRAGWUNIHDA-UHFFFAOYSA-N 247.323 2.862 0 40 BFAB c1ccc([C@@H]2CC(c3ccncc3)=NO2)cc1 64737 XGVSQOTWCCFAOX-AWEZNQCLSA-N 224.263 2.947 0 40 BFAB C[C@@H](C(=O)Nc1ccccn1)c1ccccc1 142450 LHPOUVZZNFLHER-LLVKDONJSA-N 226.279 2.824 0 40 BFAB CCOC(=O)CCSc1ccc(F)cc1 165622 XGFIIINCFMUSEH-UHFFFAOYSA-N 228.288 2.871 0 40 BFAB CCOC(=O)[C@H](c1ccccc1)n1cccc1 165755 KDWUERNOAYIKFV-ZDUSSCGKSA-N 229.279 2.641 0 40 BFAB C1=C(CCNc2ncnc3[nH]cnc23)CCCC1 213811 OVGHJPRBXUWKNN-UHFFFAOYSA-N 243.314 2.655 0 40 BFAB COc1cc(N)ccc1NC(=O)c1ccccc1 570010 CBJLTJSNVSPCNO-UHFFFAOYSA-N 242.278 2.530 0 40 BFAB O=S(=O)(O)CCCCCCc1ccccc1 1641128 KSYDMUHAXTYBFC-UHFFFAOYSA-N 242.340 2.677 0 40 BFAB C[C@H](Cc1ccc(Cl)cc1Cl)NO 1689361 LXRJUJFAYRWQDI-ZCFIWIBFSA-N 220.099 2.903 0 40 BFAB in-vitro c1ccc(CSCc2c[nH]cn2)cc1 1729608 PJZKANBPYGHUKK-UHFFFAOYSA-N 204.298 2.843 0 40 BFAB C=C(Nc1ccc2ccccc2c1)S(=O)(=O)O 1735973 JKMQDJYJRUIGRM-UHFFFAOYSA-N 249.291 2.611 0 40 BFAB CCOC(=O)C(C)(C)Cc1ccccc1 2576404 XJJKGOJHTCRWNX-UHFFFAOYSA-N 206.285 2.818 0 40 BFAB in-vitro CC(C)c1ccc(/C=C2\SC(=N)NC2=O)cc1 4036419 PKVSFJZQPVKQPQ-XFFZJAGNSA-N 246.335 2.949 0 40 BFAB CN1CCCC[C@@H]1[C@H](O)c1ccc(Cl)cc1 4428571 MTLXGAVDIYSMKB-CHWSQXEVSA-N 239.746 2.858 0 40 BFAB COC[C@]1(C)C[C@@H]2CCCC[C@@H]2C[C@@]1(C)O 5464623 LSNIDYPUZZOYIG-RFQIPJPRSA-N 226.360 2.990 0 40 BFAB CCN1CCC[C@](C(=O)O)(c2ccccc2)CC1 5698957 SMWPYIOYAPXLAH-OAHLLOKOSA-N 247.338 2.515 0 40 BFAB CCOc1c(CNCC(C)C)cccc1OC 8253459 GUJBMNLDCZBRHZ-UHFFFAOYSA-N 237.343 2.840 0 40 BFAB CC(=O)Nc1ncc(-c2ccc(Cl)cc2)n1C 12463361 JOIHEZCGRJYMPM-UHFFFAOYSA-N 249.701 2.699 0 40 BFAB COc1ccccc1Cn1cc[nH]c1=S 13776284 LIXIHRXZBPTNFN-UHFFFAOYSA-N 220.297 2.603 0 40 BFAB CCCCCCOc1ccccc1C(=N)N 20516627 KRIXLIANALPKAC-UHFFFAOYSA-N 220.316 2.930 0 40 BFAB COc1ccc2c(c1)c(CCN)cn2C(C)C 21297334 WFNIDMQOBQYSBC-UHFFFAOYSA-N 232.327 2.732 0 40 BFAB in-vitro Cc1cc(C(=O)O)ccc1-c1cncc(Cl)n1 22005434 VFJAUKRMTAPILA-UHFFFAOYSA-N 248.669 2.804 0 40 BFAB CCCCN1CCCC[C@@H]1CNCCC 22073501 XUKQUHJJQLWKKP-CYBMUJFWSA-N 212.381 2.641 0 40 BFAB CCCc1n[nH]c(N)c1Cc1ccccc1 26511359 ZXHYLASQPFSMKY-UHFFFAOYSA-N 215.300 2.535 0 40 BFAB CC(C)C(=O)N1CCC[C@H]2CCCC[C@H]21 32903891 WVRYGEVLVWAFDK-VXGBXAGGSA-N 209.333 2.824 0 40 BFAB Cc1cc(NC2CCCCC2)n2ncnc2c1 35047899 BFFBRIYTQWPZFX-UHFFFAOYSA-N 230.315 2.782 0 40 BFAB Cc1c(-c2ccc(Cl)cc2)n[nH]c1C(=O)O 38478097 VUWBFEYSOONJRC-UHFFFAOYSA-N 236.658 2.737 0 40 BFAB in-vitro O=C(NC1CCCCC1)[C@@H]1CC=CCC1 40473676 FHZIHNKVMRCBRJ-LLVKDONJSA-N 207.317 2.792 0 40 BFAB O=C(C1CCC1)N1CCC[C@H]1c1cccnc1 40489418 YYUOFTKEUDILDP-ZDUSSCGKSA-N 230.311 2.545 0 40 BFAB Cc1ccc(C2(CC(=O)O)CCOCC2)cc1 41262519 VRCXSVRPYILGKR-UHFFFAOYSA-N 234.295 2.518 0 40 BFAB CCC(=O)N1C[C@H](c2ccc(C)cc2)O[C@H](C)C1 41422268 SHUIKUPBACIPJJ-TZMCWYRMSA-N 247.338 2.693 0 40 BFAB COc1ccccc1SC[C@H]1CCCN1 43497466 JGPJJTSSKAVRKC-SNVBAGLBSA-N 223.341 2.539 0 40 BFAB CC(C)(C)CCNC(=O)c1c[nH]c2ncccc12 64876567 SMBVZESRDOBTFX-UHFFFAOYSA-N 245.326 2.729 0 40 BFAB C[C@@H](c1nc(-c2cccs2)no1)N1CCCC1 65565744 SVFONNXIYMKIID-VIFPVBQESA-N 249.339 2.955 0 40 BFAB C[C@H](O[C@@H]1CCCNC1)c1ccccc1 70265934 RSDFTWILXXYBMB-WCQYABFASA-N 205.301 2.516 0 40 BFAB Brc1ccc([C@@H]2CCCCN2)cn1 72211565 WWPMVVPLXWYGMN-VIFPVBQESA-N 241.132 2.659 0 40 BFAB CC(C)(O)CCN1CCC[C@@H]1Cc1ccccc1 72309071 UASRXFKXXZJINS-OAHLLOKOSA-N 247.382 2.855 0 40 BFAB C[C@H](c1ccccc1F)N(C)Cc1cnn(C)c1 75572662 BVWKGEBPHDILRJ-LLVKDONJSA-N 247.317 2.752 0 40 BFAB COc1cc2c(cc1OC)[C@H](C)NC[C@@H](C)C2 84228315 JJNWWBVSBLQJNC-UWVGGRQHSA-N 235.327 2.547 0 40 BFAB in-vitro COc1cc(C2CCNCC2)ccc1Cl 86698345 PMGYJVGLNINAFK-UHFFFAOYSA-N 225.719 2.816 0 40 BFAB COC(=O)c1cc(C(F)(F)F)cc2[nH]ccc12 89204492 YPISWOSULUAZKV-UHFFFAOYSA-N 243.184 2.973 0 40 BFAB O=c1c(C(F)(F)F)cccn1CC1CCC1 95962045 CFTIYAHEHDLHGY-UHFFFAOYSA-N 231.217 2.667 0 40 BFAB CCOc1cccc(Cn2ccc(C3CC3)n2)n1 96009625 FACQKCHFUUIENY-UHFFFAOYSA-N 243.310 2.603 0 40 BFAB CCc1ccc([C@H](C)N[C@]2(C)CCOC2)o1 97038539 VVSXUVAAYMXTJK-GXFFZTMASA-N 223.316 2.672 0 40 BFAB c1csc(-c2noc(-c3cscn3)n2)c1 98009560 VVDBGJQDETVFPE-UHFFFAOYSA-N 235.293 2.922 0 40 BFAB CN1CCC[C@@H](CN)[C@H]1c1cccc(Cl)c1 101425122 QEZHRHPXKIVCHH-WCQYABFASA-N 238.762 2.682 0 40 BFAB in-vitro CC(C)[C@@H]1CNc2nn(-c3ccccc3)c(O)c21 110757789 YWUUSIJUAXQIMP-NSHDSACASA-N 243.310 2.743 0 40 BFAB CC[C@@H](C)OC(=O)OCC(F)(F)F 169795785 KZKHTBXMNNCCEH-RXMQYKEDSA-N 200.156 2.500 0 40 BFAB Fc1ccc2ncoc2c1C(F)(F)F 169804932 BHGMIAVMPNUENR-UHFFFAOYSA-N 205.110 2.986 0 40 BFAB COCC(=O)N[C@H](C)CC(C)(C)c1ccccc1 224477061 BZAJVSYZSDFZOM-GFCCVEGCSA-N 249.354 2.505 0 40 BFAB CCn1ncc(NCc2cccc(OC)c2)c1C 256051854 KTJNNHYSHZBHBW-UHFFFAOYSA-N 245.326 2.832 0 40 BFAB Cc1nc(Br)cc2cc[nH]c12 675082771 ISQVBZPFVIQRQA-UHFFFAOYSA-N 211.062 2.634 0 40 BFAB CCCCn1c(C(=O)OC)nc2ccccc21 1776011284 HSXKAQBVOVJEQJ-UHFFFAOYSA-N 232.283 2.623 0 40 BFAB OC1=NC2(CCCC2)Oc2ccccc21 51586 BSPVYWBNGUTBQQ-UHFFFAOYSA-N 203.241 2.654 0 40 BFAB NC(=O)c1sc2ccccc2c1Cl 93079 XAELQWGFCUUJNM-UHFFFAOYSA-N 211.673 2.654 0 40 BFAB CCCC(=S)N1CCN(c2ccccc2)CC1 2022551 FLAPRZJHWJJAPZ-UHFFFAOYSA-N 248.395 2.936 0 40 BFAB O=C(O)/C=C/c1cc2ccccc2nc1Cl 2504996 UFFPJNZVUBIFTB-AATRIKPKSA-N 233.654 2.986 0 40 BFAB Cc1cccc(Nc2ncnc3[nH]cnc23)c1C 2719598 MECSKHCJZFSJHC-UHFFFAOYSA-N 239.282 2.713 0 40 BFAB Cc1ccccc1Oc1cc(N)cc(N)c1 3099325 KHVBPNNRENTGBD-UHFFFAOYSA-N 214.268 2.952 0 40 BFAB COc1ccc(/C=C/C(=O)NCCC(C)C)cc1 4696215 NZEWYKLVNIAJHZ-RMKNXTFCSA-N 247.338 2.871 0 40 BFAB O=c1oc2c(cc(O)c3ccccc32)s1 5517952 BHVUYDKBLZOWEY-UHFFFAOYSA-N 218.233 2.713 0 40 BFAB C[C@@H](Nc1cccc2ccccc12)C(=O)O 5798600 IYKLZBIWFXPUCS-SECBINFHSA-N 215.252 2.725 0 40 BFAB Cc1cc(NC(=O)c2ccc(Cl)cc2)[nH]n1 6412804 ACTDADXKNKUNBP-UHFFFAOYSA-N 235.674 2.624 0 40 BFAB CCN(CC)C(=O)CSCc1ccccc1 6462671 OEKJWSASAVRTJH-UHFFFAOYSA-N 237.368 2.788 0 40 BFAB O=[N+]1c2ccccc2N(O)[C@@H]2CCCC[C@@H]21 6576141 WEAXWSKLDPWFAV-NEPJUHHUSA-N 219.264 2.617 0 40 BFAB CCC[C@H](Nc1ccc(C)cc1C)C(=O)O 8702812 ZBTQJGVTJXHHCP-LBPRGKRZSA-N 221.300 2.969 0 40 BFAB N[C@H](c1ccc(Cl)cc1)[C@H]1CCCO1 19414963 WHFDDFWZZVVGCH-GHMZBOCLSA-N 211.692 2.519 0 40 BFAB Cc1ccccc1OCC(=O)N(C)C1CCCC1 20107368 DLSWVSFARKWKAV-UHFFFAOYSA-N 247.338 2.775 0 40 BFAB C[C@@H](C(=O)O)c1ccc(C[C@H]2CCC[C@@H]2O)cc1 28220807 SHAHPWSYJFYMRX-HONMWMINSA-N 248.322 2.578 0 40 BFAB in-vitro Cc1nc(CN)sc1-c1ccccc1 32010323 FRSNRGFDBLBHOL-UHFFFAOYSA-N 204.298 2.577 0 40 BFAB CC(C)OCCSc1ncc2ccccn12 47822605 OIEZBAPWIFVIRP-UHFFFAOYSA-N 236.340 2.851 0 40 BFAB C[C@@H](C(=O)Nc1cccc(Cl)c1)n1ccnc1 48333336 MDQZCAKFQGEYLE-VIFPVBQESA-N 249.701 2.736 0 40 BFAB C[C@H]1CCCCN1c1ccc(-n2cnnc2)cc1 57328122 SNJDNFCLAMZFSW-LBPRGKRZSA-N 242.326 2.646 0 40 BFAB Fc1ccc(CSc2ncn[nH]2)c(Cl)c1 60872025 JZUCYWZETSVXDV-UHFFFAOYSA-N 243.694 2.890 0 40 BFAB C[C@@H](O)[C@H]1C[C@@H]1c1ccccc1Br 62713979 MRTRCQFYDZXKHK-SZEHBUNVSA-N 241.128 2.933 0 40 BFAB O[C@H](c1cc(F)c(F)c(F)c1)C(F)(F)F 62720692 KAHLUGYIZSGDCH-SSDOTTSWSA-N 230.107 2.700 0 40 BFAB C[C@H](NCC1CCCC1)[C@@H](C)n1cccn1 69967290 ITHGLNIQENGJDS-NWDGAFQWSA-N 221.348 2.612 0 40 BFAB CCCN1CCC[C@H]1c1ncccc1C 72211134 DXKONNJSIGMTAO-LBPRGKRZSA-N 204.317 2.937 0 40 BFAB CCOc1ncccc1NCc1scnc1C 88869290 JNGVGTHWYZFYGC-UHFFFAOYSA-N 249.339 2.857 0 40 BFAB OCc1cc2ccccc2nc1NC1CC=CC1 89873037 NVRCEKXGFOUKDD-UHFFFAOYSA-N 240.306 2.858 0 40 BFAB O=C(OC1CCC1)c1ncccc1C(F)(F)F 95461526 VBRMHEWKFHQUTO-UHFFFAOYSA-N 245.200 2.810 0 40 BFAB CC(C)CCOc1cc(CCO)ccc1F 95732062 WQAPGCJNVJKOCX-UHFFFAOYSA-N 226.291 2.785 0 40 BFAB CCC[C@@](C)(O)c1ccccc1N(C)C 95739361 ADUAIVSCCDGGHB-CYBMUJFWSA-N 207.317 2.760 0 40 BFAB CCOCCCC(=O)N1[C@@H](C)CCC[C@H]1C 103366519 NKILCNNPEZPNAB-TXEJJXNPSA-N 227.348 2.593 0 40 BFAB Cc1occc1S[C@@H](C(=O)N(C)C)C(C)C 131467348 OJEIIVVHHKNIGH-LLVKDONJSA-N 241.356 2.793 0 40 BFAB CCC1(NC(=O)OC(C)(C)C)CCC(O)CC1 143935538 OQBSKYJLZIOWEF-UHFFFAOYSA-N 243.347 2.595 0 40 BFAB C[C@H](N)c1c(Cl)ncc2c1CCCC2 225811083 AHHSILFATLQPKA-ZETCQYMHSA-N 210.708 2.634 0 40 BFAB Oc1cccc(N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1 253369701 GXSAMNBVLABXQA-BFHYXJOUSA-N 245.322 2.762 0 40 BFAB CC[C@@H](C(=O)O)n1cc(Cl)c(C(F)F)n1 408717294 YASDGWAYLNCIAL-YFKPBYRVSA-N 238.621 2.510 0 40 BFAB COc1ccccc1OC(=O)C1CCCC1 363966 ARQUEIPYLHWXIS-UHFFFAOYSA-N 220.268 2.791 0 40 BFAB CCCC(=O)Nc1nnc(C2CCCC2)s1 795784 OZXXLGKUKDQRFA-UHFFFAOYSA-N 239.344 2.934 0 40 BFAB CCNC(=O)c1sc(-c2ccccc2)nc1C 860523 LVRIWUAOPNEYRV-UHFFFAOYSA-N 246.335 2.868 0 40 BFAB Cc1ccc(/C=C/C2=NN(C)C(=O)CC2)cc1 1387436 SBXXXFVEPHLZBG-BQYQJAHWSA-N 228.295 2.616 0 40 BFAB O[C@@H](c1c[nH]c2ccccc12)C(F)(F)F 1394755 OJLPWVOWEHJINA-VIFPVBQESA-N 215.174 2.764 0 40 BFAB in-vitro OCCCOc1ccc(Cl)cc1Cl 1668502 PQKHFUJBBDCBMX-UHFFFAOYSA-N 221.083 2.755 0 40 BFAB CC[C@H](C)C(=O)c1ccc(OC)c(OC)c1 1997640 UFWKGXSNLSLTRI-VIFPVBQESA-N 222.284 2.933 0 40 BFAB O=C(Cc1ccccc1)OC[C@@H]1C[C@@H]2C=C[C@H]1C2 4803482 MYZMQJUPBPHYEW-ILXRZTDVSA-N 242.318 2.985 0 40 BFAB Cc1ccc2[nH]c(CNC(=O)C3CC3)cc2c1 4985771 MSYGDSOJBDDOEY-UHFFFAOYSA-N 228.295 2.503 0 40 BFAB COP(=O)(OC)[C@@H]1C[C@H]2CC[C@@H]1C2 5051726 AFYAXLIVZXULKL-DJLDLDEBSA-N 204.206 2.661 0 40 BFAB COc1ccc(C)cc1CNCc1ccco1 7736193 CWWKEUHTWQAYOW-UHFFFAOYSA-N 231.295 2.886 0 40 BFAB CNc1nc(-c2cc(F)ccc2OC)cs1 7844398 YZSLHNWQIXPSIB-UHFFFAOYSA-N 238.287 3.000 0 40 BFAB Cc1cc(C(=O)Nc2ccc(O)cc2)c(C)n1C 8051716 XCLYOQRAVDIZIT-UHFFFAOYSA-N 244.294 2.600 0 40 BFAB COC(=O)c1ccc(C)c(-n2cccc2)c1 8413170 VNOPTKAEOITPDV-UHFFFAOYSA-N 215.252 2.572 0 40 BFAB CCOc1ccc(NCC(C)(C)C(=O)O)cc1 8702835 HEBOMPMHHOAONJ-UHFFFAOYSA-N 237.299 2.608 0 40 BFAB O=C(NCc1ccccc1F)Nc1cccnc1 9379469 WNPBVNWBJZQZFJ-UHFFFAOYSA-N 245.257 2.542 0 40 BFAB O=C(O)[C@@H](Cc1ccncc1)c1ccc(F)cc1 11570640 WDEZUBOOGHWTEG-ZDUSSCGKSA-N 245.253 2.632 0 40 BFAB COc1cccc(-c2ccc(Cl)nn2)c1 15021752 SHTCMUJFWBYWLW-UHFFFAOYSA-N 220.659 2.806 0 40 BFAB in-vitro Cc1cc(Cl)c2nc(C)cc(NN)c2c1 19721827 KDRYJXMBEVLHBW-UHFFFAOYSA-N 221.691 2.791 0 40 BFAB C[C@@H]1CCCC[C@@H]1NCc1cccnc1 19945058 CMYZEKMXZWUVJA-YPMHNXCESA-N 204.317 2.750 0 40 BFAB CN(Cc1ccsc1)C(=O)c1ccccc1N 20284202 KQKYUMQWEUAHHE-UHFFFAOYSA-N 246.335 2.603 0 40 BFAB CCOc1ccc([C@@H]2C[C@H]2[C@@H](C)O)cc1 20392455 ADGXOVIRURHYPI-ICCXJUOJSA-N 206.285 2.570 0 40 BFAB O=C(c1ccc(F)c(F)c1)N1CCCCC1 28210426 PQAHPNIRUDJXRX-UHFFFAOYSA-N 225.238 2.591 0 40 BFAB COc1cccc([C@@H]2CCCN2C(=O)C2CC2)c1 32889848 AOHKYIQUEZJXQC-AWEZNQCLSA-N 245.322 2.769 0 40 BFAB O=C(c1nc2ccccc2s1)N1CCCC1 33794056 RTSAINIPPVFTPC-UHFFFAOYSA-N 232.308 2.532 0 40 BFAB COC(=O)c1cc2cc(Cl)sc2[nH]1 34638890 PUVPNBQYYYYQCY-UHFFFAOYSA-N 215.661 2.669 0 40 BFAB in-vitro Cc1cnc(NCc2ccccc2)c(N)c1 36226356 JBLXDGXBSZYHKF-UHFFFAOYSA-N 213.284 2.584 0 40 BFAB COc1ccccc1OC[C@H](O)c1ccccc1 37492215 XLCNFGHEUMUJLW-ZDUSSCGKSA-N 244.290 2.808 0 40 BFAB c1csc(-c2nc(-c3ccncc3)n[nH]2)c1 38953302 QEMMQLPRQLQCHA-UHFFFAOYSA-N 228.280 2.595 0 40 BFAB CC[C@@H](C)NC(=O)c1cc2cccc(OC)c2o1 39975866 AUTGCMSKZZKOHB-SECBINFHSA-N 247.294 2.970 0 40 BFAB Clc1cc(Nc2ccccc2)ncn1 40431918 BKFCALDEHHCLSY-UHFFFAOYSA-N 205.648 2.874 0 40 BFAB in-vitro C[C@@H](Cc1ccco1)NC(=O)c1ccsc1 40510230 LEGVGMUVWQVKCZ-VIFPVBQESA-N 235.308 2.702 0 40 BFAB CCOC(=O)Cc1cc(F)cc(Cl)c1 43503465 FJINHYIPNUDKIC-UHFFFAOYSA-N 216.639 2.585 0 40 BFAB Nc1ccc(C(F)(F)F)nc1-c1cccnc1 47212444 KWJSCSDRLVCSAQ-UHFFFAOYSA-N 239.200 2.745 0 40 BFAB COc1ccc(Cl)cc1C(F)(F)C(=O)O 52232634 YLVNDPGXBGIPDE-UHFFFAOYSA-N 236.601 2.525 0 40 BFAB in-vitro O=C1C2CCN(CC2)[C@H]1Cc1ccc(Cl)cc1 63110723 JFDIFARZZMLJRR-ZDUSSCGKSA-N 249.741 2.546 0 40 BFAB Fc1ccc(COc2ccccn2)cc1 66059996 KBCXXVFWWGGVPP-UHFFFAOYSA-N 203.216 2.800 0 40 BFAB Cc1cc(C)nc([C@@H]2CCCN2C(C)C)n1 72356995 LZBFOCSNGSCEJE-LBPRGKRZSA-N 219.332 2.639 0 40 BFAB Cc1csc([C@H]2CCCN2C(=O)C(C)C)n1 72361249 OLYCEWSMOIRXEF-SNVBAGLBSA-N 238.356 2.771 0 40 BFAB CC(C)(C)C(=O)N1CCC[C@H]1c1ccccn1 72361332 XFMQRWJEVGPYNJ-LBPRGKRZSA-N 232.327 2.791 0 40 BFAB COc1cccc2cc(C(=O)NC(C)(C)C)oc12 75482983 RQPLIAKQGVCAGO-UHFFFAOYSA-N 247.294 2.970 0 40 BFAB Cc1cccc(CN2CCC([C@@H](C)O)CC2)c1 78643131 DIOBXBIKTPJITP-CYBMUJFWSA-N 233.355 2.588 0 40 BFAB O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C1CC1 84544029 XUJCZHUPQVBGRA-CYZMBNFOSA-N 221.344 2.872 0 40 BFAB CON[C@@H]1CCCOc2c(C)cc(C)cc21 85345041 WVGDYKCYUNBSEO-GFCCVEGCSA-N 221.300 2.668 0 40 BFAB Cc1cc(F)cc(NCc2ncccn2)c1 85730786 DGLISGVIWYVSMP-UHFFFAOYSA-N 217.247 2.536 0 40 BFAB CCOC(=O)C[C@@H]1CC(C)(C)OC1(C)C 95883934 IPVBSPQFHKAZPQ-SECBINFHSA-N 214.305 2.533 0 40 BFAB in-vitro CC1=CCC[C@H](C)[C@@H]1CNCCc1cnn(C)c1 95986281 PNXSNWCXZZSDDH-DZGCQCFKSA-N 247.386 2.545 0 40 BFAB Clc1cc(-c2cnn(CC3CCC3)c2)ncn1 96524145 YAYIGJRVSKDFGB-UHFFFAOYSA-N 248.717 2.794 0 40 BFAB C[C@@H]1CC[C@H]1COc1ccccc1C=O 96526394 XTLPYPWTMDXPOR-PWSUYJOCSA-N 204.269 2.924 0 40 BFAB CC(C)OC(=O)c1cncc2ccccc12 97084187 FPCFLVZMCNNLKO-UHFFFAOYSA-N 215.252 2.800 0 40 BFAB CCOC(=O)N[C@@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 100858704 KPSNZBHCVXBRQF-ZDCRXTMVSA-N 211.305 2.557 0 40 BFAB CCNC(=O)c1ccc2sc(Cl)nc2c1 116992414 JGYFPHUTWCOUCA-UHFFFAOYSA-N 240.715 2.699 0 40 BFAB CC(C)CCO[C@H](C)C(=O)N1CCC[C@H](C)C1 121856149 QRGJPVQBQIJIBQ-QWHCGFSZSA-N 241.375 2.696 0 40 BFAB CCc1ccc(CC(=O)NCCC(C)C)cc1 128567089 SOXGDHWTLKRHEU-UHFFFAOYSA-N 233.355 2.954 0 40 BFAB CCCn1nccc1CNCc1ccccc1 159953844 KIIYNASIBSRLIX-UHFFFAOYSA-N 229.327 2.583 0 40 BFAB CC[C@@H](NN)c1ccc(C(F)(F)F)cc1 161779179 VGAXHPZOILZPNF-SECBINFHSA-N 218.222 2.620 0 40 BFAB CC[C@@H](N[C@@H](COC)C(C)C)c1ccncc1 163761970 URFPPOOJLSCYSW-KGLIPLIRSA-N 236.359 2.793 0 40 BFAB Cc1c(Cl)cccc1-n1cccc1CO 223725079 VVIJXEMETBWQRV-UHFFFAOYSA-N 221.687 2.931 0 40 BFAB CCc1ccc(N(C)[C@@H](CC)C(=O)O)cc1 224985080 CJSNCYFYGXVJLR-LBPRGKRZSA-N 221.300 2.548 0 40 BFAB COc1ccc(CC(=O)N[C@H](C)C(C)C)cc1C 225231846 IMHVXZHASACJBC-GFCCVEGCSA-N 249.354 2.707 0 40 BFAB CC(C)Cn1cc([C@H]2CCCCCN2)cn1 225775560 BHBKMVCPFKXHKT-CYBMUJFWSA-N 221.348 2.744 0 40 BFAB Cc1cc2cncc(Br)c2[nH]1 953047388 KHAYBJZCHYDWMI-UHFFFAOYSA-N 211.062 2.634 0 40 BFAB CC1=C([O])c2c(cc(C)c(CCO)c2C)C1 1560408712 ASAGJLJSABTUGH-UHFFFAOYSA-N 217.288 2.556 0 40 BFAB CC(C)c1ccccc1NC(=O)N(C)C 129857 PRVKYSZITFAWTC-UHFFFAOYSA-N 206.289 2.904 0 40 BFAB NNc1cc(C(F)(F)F)nc2ccccc12 161406 UDBNRPMWZIXBNA-UHFFFAOYSA-N 227.189 2.539 0 40 BFAB C[C@@H]1CC=C[C@@H](N2C(=O)c3ccccc3C2=O)C1 1700416 UHPLRASGLXFKSY-GHMZBOCLSA-N 241.290 2.637 0 40 BFAB O=C1OC(c2ccccc2)=N[C@H]1c1ccccc1 1706081 IEJPPSMHUUQABK-ZDUSSCGKSA-N 237.258 2.731 0 40 BFAB Cc1ccccc1-n1nc2c(c1N)CSC2 2454961 GUZZOSZDSLADJY-UHFFFAOYSA-N 231.324 2.510 0 40 BFAB COCc1c(-c2ccccc2)nn(C)c1Cl 3135086 LYDMMGOSXLHEIU-UHFFFAOYSA-N 236.702 2.887 0 40 BFAB Cc1cccc(NS(=O)(=O)c2ccccc2)c1 3192985 HZGIAHQDIKAYKS-UHFFFAOYSA-N 247.319 2.796 0 40 BFAB O=C(O)[C@H](C1=CCCCC1)C1(O)CCCCC1 5566711 NDYUWSMIBKIIDE-LBPRGKRZSA-N 238.327 2.883 0 40 BFAB CC[C@H](C)C(=O)Nc1cc(N)ccc1C 8703454 LYPHRRPEHSMCOG-QMMMGPOBSA-N 206.289 2.562 0 40 BFAB Cc1ccc(NC(=O)CC(C)C)c(N)c1 8703502 GCZHFVCWVDJYNA-UHFFFAOYSA-N 206.289 2.562 0 40 BFAB CCCOCCCOc1cccc(C(=O)O)c1 8731439 PNJCPDRRRVOXED-UHFFFAOYSA-N 238.283 2.580 0 40 BFAB Cc1cccc(C(=S)N2CCCC2)c1 9189016 MBHHMOZJATYAJB-UHFFFAOYSA-N 205.326 2.766 0 40 BFAB Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1 12536954 MPAXYIQTWKSSLZ-UHFFFAOYSA-N 236.278 2.721 0 40 BFAB Cc1ccc(C(=O)NCc2ccccc2)cc1N 19389569 DFPQSXUFHNSJHD-UHFFFAOYSA-N 240.306 2.507 0 40 BFAB O=C(O)[C@H]1C[C@H]1c1cccc(Br)c1 20392410 WQKBKSZJAIBOED-IUCAKERBSA-N 241.084 2.637 0 40 BFAB C[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccncc1 32787689 AKYARILXZCLJMB-AAEUAGOBSA-N 232.327 2.732 0 40 BFAB COCC(=O)c1c(C)c(C)cc(C)c1C 36193628 RDMPHIZJVRYNIR-UHFFFAOYSA-N 206.285 2.749 0 40 BFAB CNc1ccc(Oc2ccc(C)nn2)cc1 41045227 WPLMPUYMFWRTDF-UHFFFAOYSA-N 215.256 2.619 0 40 BFAB COc1ccc(COCCC2CCNCC2)cc1 42774060 ZREKLKSHAUFQRN-UHFFFAOYSA-N 249.354 2.602 0 40 BFAB CCOC(=O)CCCC(=O)c1cccc(F)c1 43214320 HJTJOJNOFHDGRS-UHFFFAOYSA-N 238.258 2.742 0 40 BFAB COc1ccccc1SC[C@@H]1CCCCN1 43495462 SSLHOVYREHLOPX-NSHDSACASA-N 237.368 2.929 0 40 BFAB OC/C=C/c1cccc(C(F)(F)F)c1 44564128 YDNLMIBCGPTFIK-DUXPYHPUSA-N 202.175 2.711 0 40 BFAB in-vitro CC(C)(C)C(=O)Nc1cccc(/C=C/C(=O)O)c1 49591942 IWRGUJBWYKVFOK-BQYQJAHWSA-N 247.294 2.769 0 40 BFAB CC[C@H]1CCCCN1C(=O)c1scnc1C 58295579 QOWHPLALTSJWGY-JTQLQIEISA-N 238.356 2.856 0 40 BFAB C[C@H]1CCCCN1C(=O)[C@@H]1Cc2ccccc21 71916451 KQIIKRRNZJYVDH-SMDDNHRTSA-N 229.323 2.727 0 40 BFAB CCN(C)c1ncccc1[C@@H]1CCCCN1C 72212790 DLXGNZADGKYYIG-ZDUSSCGKSA-N 233.359 2.695 0 40 BFAB CCCNc1ncccc1[C@@H]1CCCCN1C=O 72213166 SNEMOIBZYZCJBG-ZDUSSCGKSA-N 247.342 2.587 0 40 BFAB CC[C@H](C)C(=O)N[C@H](C)c1csc(C)n1 78562719 DZXJOMHXXHNVRA-JGVFFNPUSA-N 226.345 2.675 0 40 BFAB O=C(O)c1cnc(Cl)c2ccsc12 82371389 WEIQRROBIJJLPF-UHFFFAOYSA-N 213.645 2.648 0 40 BFAB CCc1nsc(N2C[C@@H]3CC=CC[C@H]3C2)n1 89295495 LCFVFULALCUVCU-UWVGGRQHSA-N 235.356 2.503 0 40 BFAB CCOc1c(Cl)ccc(C=O)c1F 91251996 UHWKSKYUNZUQFC-UHFFFAOYSA-N 202.612 2.690 0 40 BFAB Brc1ccc2c(c1)C1(CC1)CNC2 91368455 KKZSOCJYXQWVDQ-UHFFFAOYSA-N 238.128 2.584 0 40 BFAB CC(C)[C@H]1CCc2ccccc2N1CCCO 95446838 MVMNRICVSGPJMV-CQSZACIVSA-N 233.355 2.846 0 40 BFAB C[S@](=O)Cc1cccc(NCC2CCC2)c1 95990859 VTKFJEWBRCMHRW-MRXNPFEDSA-N 237.368 2.777 0 40 BFAB CN(C)C(=O)NC1(Cc2ccccc2)CCCC1 97113278 SOARSJUSILWQQF-UHFFFAOYSA-N 246.354 2.813 0 40 BFAB O=C(O)c1c(F)ccc(F)c1C(F)(F)F 168947441 XVGYJKAQCACKIP-UHFFFAOYSA-N 226.100 2.682 0 40 BFAB CNCCCNc1ccnc2ccc(C)cc12 222676311 YCKDTGFWRKNKAL-UHFFFAOYSA-N 229.327 2.565 0 40 BFAB Cc1cc(NCc2cccc(F)c2F)n(C)n1 256050984 HHCRQWKJPCVCPG-UHFFFAOYSA-N 237.253 2.619 0 40 BFAB CCc1cc(Br)cnc1F 1249933273 SBSPQYCUMDCRGE-UHFFFAOYSA-N 204.042 2.546 0 40 BFAB OCc1ccc([C@@H](F)C(F)(F)F)cc1 1535639571 OWSXVWIPPWXHJB-MRVPVSSYSA-N 208.154 2.752 0 40 BFAB Cc1cc(C)[n+]2nc(-c3ccccc3)sc2n1 3180838 ORZFCAZXFWMOKN-UHFFFAOYSA-N 242.327 2.561 0 40 BFAB COc1ccc(C(=O)Nc2ncc(C)s2)cc1 3555833 ZWZCQSADIHXJTI-UHFFFAOYSA-N 248.307 2.712 0 40 BFAB CC1(C)[C@@H]2CC[C@@]1(C)c1oc(=O)ccc12 3845449 OPMVGRRHQPBJEO-RNCFNFMXSA-N 204.269 2.815 0 40 BFAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OCC(=O)O 4276964 CILPHQCEVYJUDN-GARJFASQSA-N 214.305 2.548 0 40 BFAB O=C1NN=C(c2ccc(Cl)cc2)CS1 5641455 MEUGLUVBMSAZAK-UHFFFAOYSA-N 226.688 2.501 0 40 BFAB Cc1noc2ncnc(Oc3ccc(F)cc3)c12 5724639 UUWJGBNSNGRANM-UHFFFAOYSA-N 245.213 2.858 0 40 BFAB CCOC(=O)[C@H]1c2[nH]c(C)c(C)c2S[C@@H]1C 5796689 KDAGWSDHTPDJCQ-RKDXNWHRSA-N 239.340 2.772 0 40 BFAB C[C@@H](CC(=O)OCc1ccccc1)n1ccnc1 6651049 MKAAOJVROHERPX-LBPRGKRZSA-N 244.294 2.578 0 40 BFAB COc1ccc(C(=O)COc2ccccc2)cc1 7604953 WCZJOVXQDQQRAC-UHFFFAOYSA-N 242.274 2.957 0 40 BFAB Cc1ccc(NC(=O)c2ccccc2)c(O)c1 8378795 MIQLPFWSTBVVPR-UHFFFAOYSA-N 227.263 2.953 0 40 BFAB CCOC(=O)/C(F)=C\c1ccc(OC)cc1 8653339 HAVOABSXFULZTO-DHZHZOJOSA-N 224.231 2.569 0 40 BFAB COc1ccc(-c2cc(SC)[nH]n2)cc1 8715605 MIISHAVOZVTBNS-UHFFFAOYSA-N 220.297 2.807 0 40 BFAB O=C(Cc1ccsc1)Nc1ccccc1O 12877542 KGXVVEUWXTVKCR-UHFFFAOYSA-N 233.292 2.635 0 40 BFAB C[C@H](NC(=O)C1CCC1)c1cccs1 12890388 NDLAENYFCCFFRT-QMMMGPOBSA-N 209.314 2.725 0 40 BFAB Cc1cccc(NC(=O)N[C@@H](C)[C@H]2CCCO2)c1 12977874 LRMKRWOUKFDMSM-WCQYABFASA-N 248.326 2.684 0 40 BFAB CC(C)CNC(=O)c1cccc2ncccc12 14300551 LHCAQUOMKDSUKP-UHFFFAOYSA-N 228.295 2.621 0 40 BFAB NCCCc1cc(Cl)c2[nH]ccc2c1 26896645 BVKPTJRFIJVGGC-UHFFFAOYSA-N 208.692 2.713 0 40 BFAB CC(C)c1ccc([C@@H]2C[C@H]2C(=O)O)cc1 31829272 NOGUBTGKXFAAGO-NWDGAFQWSA-N 204.269 2.998 0 40 BFAB in-vitro CC(C)CNC(=O)N[C@H]1CCc2ccccc21 32843768 BBNHWBNPGODARN-ZDUSSCGKSA-N 232.327 2.629 0 40 BFAB C[C@@H]1CCCN(C(=O)CSC(C)(C)C)C1 33023518 LEKCSTRMFAVIQG-SNVBAGLBSA-N 229.389 2.777 0 40 BFAB CC[C@H]1c2ccc(C)cc2CCN1C(C)=O 36113972 UUWRWWALTUSQSV-AWEZNQCLSA-N 217.312 2.851 0 40 BFAB CCCCOc1ccc(C)cc1C(=O)O 36195395 WEHAHOUDPANKMC-UHFFFAOYSA-N 208.257 2.872 0 40 BFAB O=C(O)c1cnc(-c2ccsc2)s1 36930157 VGZDKHKEXMWAFI-UHFFFAOYSA-N 211.267 2.570 0 40 BFAB in-vitro CCC[C@H](C)N1Cc2ccc(N)cc2C1 36988155 LWEMKKALZMPTTA-JTQLQIEISA-N 204.317 2.773 0 40 BFAB in-vitro Cc1cc2ncc(Br)cc2[nH]1 44712916 FGQVFNJXOVQUCQ-UHFFFAOYSA-N 211.062 2.634 0 40 BFAB in-vitro CSc1nnc(C(C)C)n1Cc1ccco1 48362003 CBJGSTLSTSGBTR-UHFFFAOYSA-N 237.328 2.765 0 40 BFAB Cc1nc(C)c([C@H](C)NC(=O)C2CCC2)s1 48749375 AJFCKSVWIWNHQO-QMMMGPOBSA-N 238.356 2.737 0 40 BFAB Cc1ccc(-c2cc(N)[nH]n2)cc1Cl 63021983 XJIAKRKFWZTDJY-UHFFFAOYSA-N 207.664 2.621 0 40 BFAB COc1cccc(CN[C@H]2CC[C@H](C)C2)c1 70761568 IDNIIWVAZCZVDD-AAEUAGOBSA-N 219.328 2.973 0 40 BFAB Cc1cccc([C@@H]2CCCN2C(C)C)n1 72211077 GQGOEBQXUMXYPY-ZDUSSCGKSA-N 204.317 2.935 0 40 BFAB CC(C)Oc1ncccc1[C@@H]1CCCCN1 72211971 XBGSWSSTABEIGB-LBPRGKRZSA-N 220.316 2.683 0 40 BFAB Oc1ccc(OCC(F)(F)C(F)F)cc1 72265771 BUCBHFXFACTGKK-UHFFFAOYSA-N 224.153 2.671 0 40 BFAB CC(=O)Cc1ccc(Br)c(F)c1 72300468 ROXPVELGOJOGDC-UHFFFAOYSA-N 231.064 2.720 0 40 BFAB in-vitro CC(C)CC(C)(C)CNC(=O)[C@H]1CCCOC1 81617642 UPRRDBIFGJXPFG-LBPRGKRZSA-N 241.375 2.602 0 40 BFAB C[C@@H](C(=O)Nc1nccs1)c1ccccc1 85423547 RUWBQESMSKMVFE-SECBINFHSA-N 232.308 2.885 0 40 BFAB CCC[C@](C)(O)c1cc(OC)ccc1OC 86336438 CXCNEWXPEPUDCG-ZDUSSCGKSA-N 224.300 2.711 0 40 BFAB CC[C@H](C)[C@H](C)Nc1nc(CC(=O)O)cs1 87665287 ZIIIKLCUTXJLGP-YUMQZZPRSA-N 242.344 2.617 0 40 BFAB CN(Cc1cscn1)c1ccc(Cl)cn1 90345371 PUODWJIOFSWVDC-UHFFFAOYSA-N 239.731 2.828 0 40 BFAB CCCC1CC(COc2ccc(N)cn2)C1 95093857 VXVGDQUIWRQSTR-UHFFFAOYSA-N 220.316 2.869 0 40 BFAB O=C(O)C1=C(C(=O)c2ccc(F)cc2)CCCC1 95634409 NAFPWYSUIUMFLZ-UHFFFAOYSA-N 248.253 2.964 0 40 BFAB Cc1cccc(C(=O)Nc2ccncc2F)c1 95975738 GNOGKGCOOYDIIA-UHFFFAOYSA-N 230.242 2.781 0 40 BFAB C[C@H](CO)Sc1ccc(Br)cc1 96509894 LVEFQDWYMQJNAY-SSDOTTSWSA-N 247.157 2.922 0 40 BFAB C[C@@H]1CC[C@H]1COc1cccc(C=O)c1 96526402 IKELRPQMBWGXQG-PWSUYJOCSA-N 204.269 2.924 0 40 BFAB O=C(O)c1ccc(Cc2cccc(Cl)c2)[nH]1 216589835 OPNWVLOZFOFRPH-UHFFFAOYSA-N 235.670 2.957 0 40 BFAB CC(C)Nc1ncnc(C(F)F)c1Cl 217582134 NMZVELGFAIRNQL-UHFFFAOYSA-N 221.638 2.888 0 40 BFAB Cc1ccc2[nH]c(=O)n(-c3ccccc3)c2c1 257992802 HYKOXWVVDCZSJW-UHFFFAOYSA-N 224.263 2.627 0 40 BFAB Cc1cncc(N2Cc3ccc(Cl)cc3C2)n1 630343385 MFJVVDJLGDBFRY-UHFFFAOYSA-N 245.713 2.959 0 40 BFAB Nc1c(C2CC2)cnn1-c1ccccc1Cl 642882958 ZGDXNOOMPZWKSJ-UHFFFAOYSA-N 233.702 2.985 0 40 BFAB Nc1ccccc1N1CCC2(CC1)CC2 706349415 FUCMQFOUCDRWLI-UHFFFAOYSA-N 202.301 2.649 0 40 BFAB CC(C)(C)OC(=O)N1CC[C@@H]2C=CC[C@H]21 953091151 YBZNAAJETWOGIC-VHSXEESVSA-N 209.289 2.572 0 40 BFAB O=C1C[C@@H](c2ccccc2)CN1CC1CCC1 1888866468 OOLKFSKYCIGKTA-CQSZACIVSA-N 229.323 2.803 0 40 BFAB c1cc(-c2csnn2)cc(-c2csnn2)c1 387666 UVKYCBSIVOLTEV-UHFFFAOYSA-N 246.320 2.724 0 40 BFAB CC(=O)Cc1nsc(Nc2ccc(C)cc2)n1 414008 GNVDDGNHAHAHCY-UHFFFAOYSA-N 247.323 2.722 0 40 BFAB C[C@@H](O)c1cccc(NC(=O)c2ccco2)c1 1017189 USPPJXDUGDMKSQ-SECBINFHSA-N 231.251 2.585 0 40 BFAB C[C@@H](Cc1ccccc1)N(C)C(=O)C(F)(F)F 2569323 AXAFMXNUGNZMCK-VIFPVBQESA-N 245.244 2.638 0 40 BFAB Cc1cc(C)cc(NC(=O)[C@H]2C[C@@H]2C)c1 3407277 YVJFZFXJJRAQDO-JQWIXIFHSA-N 203.285 2.898 0 40 BFAB COC(=O)CCCc1cn(C)c2ccccc12 4053880 KVGWWDKBQUXCQA-UHFFFAOYSA-N 231.295 2.674 0 40 BFAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)O 4276962 CILPHQCEVYJUDN-GMTAPVOTSA-N 214.305 2.548 0 40 BFAB C/C(=C\C(=O)Nc1ccc(F)cc1)N1CCCC1 5287523 VYCYBAFQYISMMA-ZHACJKMWSA-N 248.301 2.764 0 40 BFAB S=C(S)Nc1ccc(Cl)cc1 5841343 LVWPRQISBKYNTI-UHFFFAOYSA-N 203.719 2.967 0 40 BFAB Oc1ccccc1N1Cc2ccccc2C1 6346879 DXGIMFARJKOHNM-UHFFFAOYSA-N 211.264 2.912 0 40 BFAB O=Cc1cccn1-c1ccc2ncccc2c1 8701962 DPGNKARAZGWFBJ-UHFFFAOYSA-N 222.247 2.838 0 40 BFAB O=C(O)CCSc1cccc(Cl)c1 11798032 LBNJHWGKGWWFGN-UHFFFAOYSA-N 216.689 2.907 0 40 BFAB in-vitro c1ccc([C@H]2NCCN[C@@H]2c2ccccc2)cc1 19366429 NXYCTQXWYWRZDE-HZPDHXFCSA-N 238.334 2.662 0 40 BFAB in-vitro Cc1c(-c2ccccc2Cl)nn(C)c1N 26511899 ONPJEDKXHUMFRU-UHFFFAOYSA-N 221.691 2.631 0 40 BFAB CC(C)CNC(=O)N[C@@H]1CCc2ccccc21 32843767 BBNHWBNPGODARN-CYBMUJFWSA-N 232.327 2.629 0 40 BFAB O=C(C1CCC1)N1CCSc2ccccc21 32997905 GGRMYMTYQMJRNE-UHFFFAOYSA-N 233.336 2.925 0 40 BFAB CN(c1ccnc(Cl)n1)C1CCCCC1 51849287 QEKXXATTXLFRKY-UHFFFAOYSA-N 225.723 2.899 0 40 BFAB O=C(Nc1ccccc1OC(F)(F)F)C1CC1 53210739 ZPOJXXBJXRVBJO-UHFFFAOYSA-N 245.200 2.934 0 40 BFAB Cc1noc(-c2cc3ccccc3o2)n1 61957938 YGUKAROQNOFYLS-UHFFFAOYSA-N 200.197 2.791 0 40 BFAB OCc1ccccc1-c1ccc2nc[nH]c2c1 65495945 CUVPECSPZTULFG-UHFFFAOYSA-N 224.263 2.722 0 40 BFAB CC(=O)N(Cc1ccco1)C1CCCC1 70251126 HSPUCVCDLXPKMX-UHFFFAOYSA-N 207.273 2.571 0 40 BFAB COc1cccc(/C=C/c2onc(C)c2N)c1 72324055 TXCNMSVKXSGYMD-VOTSOKGWSA-N 230.267 2.744 0 40 BFAB biogenic CC1(C)C[C@H](C(=O)O)Cc2ccccc21 75604933 LOGVJPMKVSHMGR-SNVBAGLBSA-N 204.269 2.611 0 40 BFAB CC(C)c1noc([C@@H](C)N2C[C@H]3[C@@H](C2)C3(C)C)n1 76040500 AYJNNLQROCUWFZ-MXWKQRLJSA-N 249.358 2.842 0 40 BFAB NC[C@H]1CCCN(CC/C=C/c2ccccc2)C1 79439936 WDEPYOVOHZGLFB-VCIFKONDSA-N 244.382 2.761 0 40 BFAB FC1(F)Oc2ccccc2O[C@@]1(F)Cl 91252142 HISYYZRZIJMXSF-SSDOTTSWSA-N 224.565 2.913 0 40 BFAB COc1ccc(Cl)c(Br)n1 95930002 UUXXKGYFVQVDDL-UHFFFAOYSA-N 222.469 2.506 0 40 BFAB CCn1c(O)c(C(C)=O)c2ccccc21 96026243 NHNLQHBRNJBHPD-UHFFFAOYSA-N 203.241 2.569 0 40 BFAB c1c2c(nn1C1CCCCC1)C[C@@H]1CC[C@H]2N1 96510256 CBVOHBYKQNAULQ-GXFFZTMASA-N 231.343 2.738 0 40 BFAB O=C(O)[C@@H]1CCNc2c1cccc2C(F)(F)F 96879667 OIMOVIQGZFCFLR-SSDOTTSWSA-N 245.200 2.689 0 40 BFAB CCSCCN[C@@H](C)c1ccc(C)o1 97374048 ZDUGYVCOKGFYBF-JTQLQIEISA-N 213.346 2.992 0 40 BFAB C[C@@H]1C(=O)Nc2c(Br)cccc21 105908438 VVLQFCCRKKZWQR-YFKPBYRVSA-N 226.073 2.505 0 40 BFAB CCC[C@H](N)CN1CC[C@H]2CCCC[C@@H]2C1 108276139 UAQKEJZZPGARJA-MCIONIFRSA-N 224.392 2.626 0 40 BFAB Oc1ccc(Br)c2cnccc12 146669111 RPFJJULAJVSICG-UHFFFAOYSA-N 224.057 2.703 0 40 BFAB NN[C@@H](c1ccccc1)c1cccc(Cl)c1 161780860 NMSRYJPOVUGNSC-ZDUSSCGKSA-N 232.714 2.893 0 40 BFAB CSc1ncc(Cl)c(C(F)(F)F)n1 199915518 IRPJOYRKSXBYBE-UHFFFAOYSA-N 228.626 2.871 0 40 BFAB COC(=O)c1cc2ccnc(Cl)c2s1 216302784 FASHAAOEDQHMIT-UHFFFAOYSA-N 227.672 2.736 0 40 BFAB N[C@H]1CCCC[C@H]1Nc1c(F)cccc1F 218866119 NUCOKQVNEJGCAX-WDEREUQCSA-N 226.270 2.647 0 40 BFAB CC1=CC[C@@H]2[C@](C)(CO)CCC[C@@]2(C)[C@H]1CO 225459438 WAROSQLUUOOPIA-XGUBFFRZSA-N 238.371 2.750 0 40 BFAB biogenic,in-vitro O=C(NCc1ccccc1)[C@@H]1[C@H]2CCCC[C@H]21 245380107 RNYXKMCVLDABRF-WDNDVIMCSA-N 229.323 2.739 0 40 BFAB O=c1[nH]c2c(Br)cc(Cl)cc2o1 33104 JCRSLBLJBHXTND-UHFFFAOYSA-N 248.463 2.537 0 40 BFAB O=C(Cc1ccccc1)c1ccc2c(c1)OCO2 41776 GMPAXGVXZYFWRF-UHFFFAOYSA-N 240.258 2.841 0 40 BFAB O=C(Nc1nnc(C2CCCC2)s1)C1CC1 412260 OYDNCFYKLRFCND-UHFFFAOYSA-N 237.328 2.544 0 40 BFAB COC(=O)[C@@H](C/C=C(/C)c1ccccc1)C(C)=O 1616070 MNJUDMANVVMTDA-FPAJZGIOSA-N 246.306 2.858 0 40 BFAB CCN(CC)CCC(=O)c1ccc(OC)cc1 1696568 DSUDQWRYBRHEPO-UHFFFAOYSA-N 235.327 2.610 0 40 BFAB CC[C@@H](C)NCc1nnc(-c2ccccc2)o1 2649502 QUPLXBPISBXUPA-SNVBAGLBSA-N 231.299 2.625 0 40 BFAB CCC(CC)C(=O)N1C[C@@H](C)C[C@H](C)C1 2764618 UYYYTCYXIRSCDM-QWRGUYRKSA-N 211.349 2.927 0 40 BFAB Cc1cc(C(=O)O)c2cccc(Cl)c2n1 3177021 SGCIPJVQANAPAZ-UHFFFAOYSA-N 221.643 2.895 0 40 BFAB in-vitro O=C(OCC1CC1)c1cc2ccccc2o1 3404551 PMULIDMTMYONNN-UHFFFAOYSA-N 216.236 3.000 0 40 BFAB Cc1csc(-c2cccc(C(=O)O)c2)n1 3607648 WXENPEKCGWEERP-UHFFFAOYSA-N 219.265 2.817 0 40 BFAB in-vitro O[C@H]1CCCC[C@H]1N1CC[C@H](c2ccccc2)C1 4030714 LRWOETBLULBTDE-XHSDSOJGSA-N 245.366 2.779 0 40 BFAB Cc1ccc(NC(=O)[C@H](O)c2ccccc2)cc1 5928980 BINKBTHAZZIVLD-CQSZACIVSA-N 241.290 2.667 0 40 BFAB c1ccc2[nH]c(Cn3cnc4ccccc43)nc2c1 8715645 YVSFFYOZOWADFQ-UHFFFAOYSA-N 248.289 2.961 0 40 BFAB O=C(O)c1nc2ccccc2cc1C(F)(F)F 16159913 CVSCZIGOYYGAGL-UHFFFAOYSA-N 241.168 2.952 0 40 BFAB Oc1cccc(CNCCc2ccccc2F)c1 19912803 RFUDBRAKDYCHQT-UHFFFAOYSA-N 245.297 2.864 0 40 BFAB Cc1ccc2nc([C@@H](O)c3ccccc3)[nH]c2c1 26462310 JFCGJONXAJJUDD-AWEZNQCLSA-N 238.290 2.953 0 40 BFAB CNC[C@@H](OC)c1ccc(C(F)(F)F)cc1 34062809 UICBGUOBHTYPNV-SNVBAGLBSA-N 233.233 2.612 0 40 BFAB COc1ccc(C(=O)CC(F)(F)F)cc1 34566359 GOFCPSIUECQOSH-UHFFFAOYSA-N 218.174 2.830 0 40 BFAB in-vitro Fc1ccc(F)c(CNC2CCCC2)c1 37228234 LYQFNXDPPBYZDL-UHFFFAOYSA-N 211.255 2.997 0 40 BFAB in-vitro CC(C)(C)n1cc(CNc2cccc(O)c2)cn1 37238226 SPEQZTSXCIOLSC-UHFFFAOYSA-N 245.326 2.956 0 40 BFAB COc1cc(Cl)cc(Cl)c1C=O 39295726 LEKBRTWDQNPRPZ-UHFFFAOYSA-N 205.040 2.815 0 40 BFAB CCCCCCNCCN[C@H](C)CC 39712259 GHJVTHBAUWPMLU-GFCCVEGCSA-N 200.370 2.544 0 40 BFAB CC(C)CO[C@H](C)C(=O)N[C@@H](C)c1ccccc1 40521098 HTAKQRWIYDYUKA-QWHCGFSZSA-N 249.354 2.925 0 40 BFAB Nc1nc2ccc(CCN3CCCC3)cc2s1 41630141 MTQXTVDLUZJNBA-UHFFFAOYSA-N 247.367 2.517 0 40 BFAB CC(C)c1noc(CN(C2CC2)[C@@H](C)C2CC2)n1 42123694 TXBYCYZPARQSDG-JTQLQIEISA-N 249.358 2.956 0 40 BFAB Fc1ccc(-c2n[nH]cc2CNCC2CC2)cc1 42207458 AKWFKSWJXMXJKD-UHFFFAOYSA-N 245.301 2.715 0 40 BFAB Cc1cc(C)cc(C(=O)NCC(F)(F)F)c1 42236853 YFXMIZRDMKTLJB-UHFFFAOYSA-N 231.217 2.596 0 40 BFAB C[C@H](O)Cc1c(Cl)cccc1Cl 44266648 IBZNHQGQLNNWPH-LURJTMIESA-N 205.084 2.917 0 40 BFAB in-vitro COc1ccc(C[C@](C)(O)C2CC2)cc1C 57501660 NJCZFLBVDAPFLO-AWEZNQCLSA-N 220.312 2.707 0 40 BFAB O=C(O)C1CCC2(CC1)CCC(C(=O)O)CC2 60121565 FRUMYGCUBVVMEU-UHFFFAOYSA-N 240.299 2.522 0 40 BFAB CCCCN1CCCC[C@H]1c1ccc(N)nc1 72212385 HQAVLPJFOFZYNG-ZDUSSCGKSA-N 233.359 2.991 0 40 BFAB CCCNc1ccc([C@@H]2CCCCN2)cn1 72213206 SXPPNGJXCJVXRA-LBPRGKRZSA-N 219.332 2.718 0 40 BFAB Cc1cncnc1[C@@H]1CCCCN1CC1CC1 72361357 XGTSLUUYKFLZQW-ZDUSSCGKSA-N 231.343 2.722 0 40 BFAB CCOCCC(=O)Nc1ccc2ncccc2c1 78478053 NUYTXYBGXZQMSH-UHFFFAOYSA-N 244.294 2.600 0 40 BFAB CCc1cccc(C)c1NC(=O)c1cnco1 82323462 QMXLEPRNTCBKOX-UHFFFAOYSA-N 230.267 2.798 0 40 BFAB CCc1[nH]c2c(F)cccc2c(=O)c1C 82449754 KVVNGXCKCYZLJE-UHFFFAOYSA-N 205.232 2.538 0 40 BFAB in-vitro CC(C)(CN)c1ccccc1OC(F)F 89261637 GSEUJOLPKYXBGQ-UHFFFAOYSA-N 215.243 2.524 0 40 BFAB CCCc1nccn1Cc1c(CC)noc1C 95441055 JFKKGXNBIWCXQS-UHFFFAOYSA-N 233.315 2.743 0 40 BFAB C[C@H](NCCCO)c1c(F)cccc1Cl 96492341 LLKRCAIUIRBRJY-QMMMGPOBSA-N 231.698 2.512 0 40 BFAB Cc1ccc(/N=c2/sccn2C)c(C)c1 100045547 YUAUPYJCVKNAEC-OUKQBFOZSA-N 218.325 2.936 0 40 BFAB c1ccc2c(c1)[C@H]1CC[C@H]2[n+]2ccccc21 104103849 UQYXIIIWPUYQCF-UKRRQHHQSA-N 208.284 2.803 0 40 BFAB Cc1ccc(-c2cc(C(=O)O)n(C)c2)cc1 144524975 AXCFEYWYCKJCAA-UHFFFAOYSA-N 215.252 2.699 0 40 BFAB Clc1cnnc2c1ncn2C1CCCC1 150101084 QASHYKUODPFXMF-UHFFFAOYSA-N 222.679 2.595 0 40 BFAB CC[C@H](C(=O)O)N(C)c1c(C)cccc1C 224983317 GMHZEBGHPFKHBO-LLVKDONJSA-N 221.300 2.603 0 40 BFAB COc1ccc(C(=O)N[C@@H](C)C(C)C)cc1C 225231977 WYVIEHBSBNTSIY-NSHDSACASA-N 235.327 2.778 0 40 BFAB CCCNC(=O)NCCSC1CCCCC1 225772144 IZEVBCVYAJOKCF-UHFFFAOYSA-N 244.404 2.762 0 40 BFAB Cc1ccc([C@@H]2C[C@@H]2c2cc(N)n(C)n2)cc1 575422602 ICQQLVIYIQXXPZ-RYUDHWBXSA-N 227.311 2.582 0 40 BFAB COC1C[C@@H]2CC[C@H](C1)N2C(=O)CC(C)(C)C 585319879 YFZOXVDXYNKYLF-FOSCPWQOSA-N 239.359 2.591 0 40 BFAB Nc1csc(-c2ccc3c(c2)C(=O)CCC3)n1 2362804919 RGPHVRGQJFYTLQ-UHFFFAOYSA-N 244.319 2.911 0 40 BFAB NC(=S)c1ccc(C2SCCS2)cc1 76610 DUMZFFFGXHYMOZ-UHFFFAOYSA-N 241.406 2.799 0 40 BFAB C[C@H]1CCCc2sc3ncn4cnnc4c3c21 545804 MGUFDDRFNBXHHY-ZETCQYMHSA-N 244.323 2.779 0 40 BFAB c1cn(-c2ccc(-c3ccno3)cc2)cn1 1402340 MMLRBASXQHDSGK-UHFFFAOYSA-N 211.224 2.527 0 40 BFAB CC(C)(C)OC(=O)N1CCOC2(CCCC2)C1 1436149 ZNLFHUVQLZVBKM-UHFFFAOYSA-N 241.331 2.567 0 40 BFAB CNC(=O)Oc1cccc2sccc12 2039968 BOTUVXISJHKZKJ-UHFFFAOYSA-N 207.254 2.620 0 40 BFAB CC[C@H](C)c1ccc(NC(N)=S)cc1 3322187 WTXSUXUHTUONPP-QMMMGPOBSA-N 208.330 2.856 0 40 BFAB in-vitro CC1=CC[C@@]23CC[C@@H]([C@H](C)[C@H]2OC=O)[C@H]3C1 4538278 GKVRLIGSFZBWEX-QNSTZXKLSA-N 220.312 2.930 0 40 BFAB Cc1ccccc1/C=C/c1cccc[n+]1C 5002301 MERIQZVWXHTNHE-ZHACJKMWSA-N 210.300 2.990 0 40 BFAB CCOP(OCC)OCc1ccccn1 5332789 PRIHDIVEYFPOBY-UHFFFAOYSA-N 229.216 2.898 0 40 BFAB CC(C)(C)CC(=O)NCc1ccccc1 5496108 BPTQHPQTNLIGTA-UHFFFAOYSA-N 205.301 2.739 0 40 BFAB CC(=O)N[C@@]1(C)[C@H]2CC[C@@]3(C)N=C(C)[C@@H]1C[C@H]3C2 5757843 QAZDHIAODBUACH-ZQNQSHIBSA-N 248.370 2.551 0 40 BFAB CC[C@@H]1CSC(NCc2cccs2)=N1 13148013 HDKLAJUVWNZIEK-MRVPVSSYSA-N 226.370 2.719 0 40 BFAB CN(C)C(=O)Nc1ccc(O)c(C(F)(F)F)c1 13560835 DTGUFTPPQXTCDU-UHFFFAOYSA-N 248.204 2.505 0 40 BFAB c1ccc(-c2ccccc2-c2nnn[nH]2)cc1 15042140 HLAYLOOJBAJIRU-UHFFFAOYSA-N 222.251 2.534 0 40 BFAB in-vitro COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3CN 19737176 SPJVBNCWKSIYSL-SECBINFHSA-N 230.311 2.555 0 40 BFAB C[C@@H](NC(=O)c1ccc(F)cc1)c1cccnc1 32731614 FYLPHAGAZIRQRL-SNVBAGLBSA-N 244.269 2.712 0 40 BFAB O=C(O)C1[C@@H]2CC[C@H]3[C@@H](CC[C@@H]12)C3(Cl)Cl 33687885 KTMXBVDXHDBMDV-NBTWYFBKSA-N 249.137 2.927 0 40 BFAB O=S(=O)(O)c1ccc(C2CCCCC2)cc1 34247361 MCCOAFJOIWDGDR-UHFFFAOYSA-N 240.324 2.981 0 40 BFAB CCCNC(=O)CNc1ccc2ccccc2c1 35138162 RIHMPHBFJWTXPQ-UHFFFAOYSA-N 242.322 2.778 0 40 BFAB Nc1cccc(C(F)(F)C(F)(F)F)c1 35570366 ABJVXSCTJMFIEM-UHFFFAOYSA-N 211.133 2.923 0 40 BFAB COCc1cccc(C(=O)NCCC(C)C)c1 36391886 DHPAXCFARKXPTK-UHFFFAOYSA-N 235.327 2.609 0 40 BFAB CCn1cnc2ccc(Br)cc21 39102529 NGEBEBRIZCRBKT-UHFFFAOYSA-N 225.089 2.819 0 40 BFAB O=C(NC1CCCCCC1)c1cscn1 41499322 AMBIAKJXMAGRLQ-UHFFFAOYSA-N 224.329 2.596 0 40 BFAB CC(C)Oc1cccc(CNC(=O)C(C)C)c1 46655839 TYRKOSCKEAUEDF-UHFFFAOYSA-N 235.327 2.746 0 40 BFAB Cl/C=C/CSc1nnc2n1CCCCC2 47821908 DBWKGNNLQGYSIS-GQCTYLIASA-N 243.763 2.849 0 40 BFAB Cc1cccc(-c2cc(C(=O)O)sn2)c1 67172749 WNNIZAJYCPMOCB-UHFFFAOYSA-N 219.265 2.817 0 40 BFAB O=C(O)/C(F)=C(\F)c1ccc(F)c(F)c1F 71621458 VKXWVYSJVCRITA-SOFGYWHQSA-N 238.111 2.796 0 40 BFAB Brc1ccc([C@H]2CCCCN2)cn1 72211566 WWPMVVPLXWYGMN-SECBINFHSA-N 241.132 2.659 0 40 BFAB CCN1CCC[C@H]1c1ccc(SC)nc1 72216873 RSDYWSONBOCNPU-NSHDSACASA-N 222.357 2.960 0 40 BFAB CC(=O)N1CCCC[C@@H]1c1ccc(=S)[nH]c1 72217035 VHRIECWDYNMDQZ-LLVKDONJSA-N 236.340 2.818 0 40 BFAB Cc1cc(C)cc(CNc2nncs2)c1 83349946 GNLARBVXCITPRZ-UHFFFAOYSA-N 219.313 2.767 0 40 BFAB O[C@H](c1ccsc1)c1ccc2c(c1)OCO2 83447959 FFUSCGIXDVLJRI-LBPRGKRZSA-N 234.276 2.559 0 40 BFAB CC(C)n1c(NN)nc2cc(Cl)ccc21 95532054 LPCHLGQTPNLHOB-UHFFFAOYSA-N 224.695 2.556 0 40 BFAB CC(C)(C)[C@H]1CC[C@@H](C(F)(F)F)CN1 96509837 JRHFIUMBLINUGK-HTQZYQBOSA-N 209.255 2.963 0 40 BFAB O[C@H](c1ccccc1)[C@@H]1C[C@H]2C=C[C@H]1C2 102933999 DJEJUNPYGYWALI-SCUASFONSA-N 200.281 2.932 0 40 BFAB Cc1cc2cc(Cl)cc(C(=O)O)c2[nH]1 141198976 PMXVZVBKZMOUNT-UHFFFAOYSA-N 209.632 2.828 0 40 BFAB CCc1ccccc1N(C)CCCC(=O)O 141997840 YARFWVLHKADOSB-UHFFFAOYSA-N 221.300 2.550 0 40 BFAB O=C(OCCC[C@H]1CCCO1)c1cccs1 184405068 WNKRGNCBPMSECG-SNVBAGLBSA-N 240.324 2.864 0 40 BFAB C[C@H]1CCOCCN1Cc1cc(F)cc(F)c1 225463922 XCEQOZYSWBQEOH-JTQLQIEISA-N 241.281 2.576 0 40 BFAB COc1cc(C(F)F)c(Br)cn1 238337962 IHVUOHGGTVMNHT-UHFFFAOYSA-N 238.031 2.790 0 40 BFAB CC1(c2ccn[nH]2)CCN(Cc2ccoc2)CC1 257252610 JVKMFDDZJHKIJH-UHFFFAOYSA-N 245.326 2.556 0 40 BFAB COc1ccc(Nc2ccc(Cl)nn2)cc1 552996 KAZQXCYNQKFGGI-UHFFFAOYSA-N 235.674 2.882 0 40 BFAB Cc1cc2c(=O)c(C)c[nH]c2cc1Cl 1673399 RFYNRITXEOWSDN-UHFFFAOYSA-N 207.660 2.798 0 40 BFAB CCCCSc1nnc2nc(C)cc(C)n12 2277016 YDPNJOYYEXTLMR-UHFFFAOYSA-N 236.344 2.633 0 40 BFAB CC[C@H](C)N1CCC(N2CCC(C)CC2)CC1 4745816 NYRMETGDANWFFF-AWEZNQCLSA-N 238.419 2.981 0 40 BFAB O=C(NC[C@H]1C[C@H]2CC[C@@H]1C2)c1cccs1 5677451 UMDFYPUNCLCKTA-HBNTYKKESA-N 235.352 2.914 0 40 BFAB CCOc1ccc(-c2nc(NN)sc2C)cc1 5873827 SHMQXPGTAKKBCF-UHFFFAOYSA-N 249.339 2.803 0 40 BFAB CC(C)c1ccc(CSC(=N)N)cc1 6881321 SPEUTOGCCQZGCH-UHFFFAOYSA-N 208.330 2.937 0 40 BFAB O=C(O)Cc1coc2cc(Cl)ccc12 10536956 RMJOWIRZNLSJGG-UHFFFAOYSA-N 210.616 2.713 0 40 BFAB in-vitro COc1ccc([C@H](CC(=O)O)C2CC2)cc1 11628827 UYGYHNKELYLFSA-GFCCVEGCSA-N 220.268 2.664 0 40 BFAB Cc1ccccc1Nc1ncc(C(=O)O)c(C)n1 15423889 NLFDBVSUTDUNRZ-UHFFFAOYSA-N 243.266 2.535 0 40 BFAB FC(F)Oc1cccc(OC(F)F)c1 16082664 WKUYZOKJVGOZNE-UHFFFAOYSA-N 210.126 2.889 0 40 BFAB in-vitro O=c1c(Cl)c[nH]c2ccc(Cl)cc12 19721907 FZJVRYUXLOYMMC-UHFFFAOYSA-N 214.051 2.835 0 40 BFAB COC[C@H](C)N[C@@H]1C[C@@H](C)CC(C)(C)C1 19905058 WKXDJQJXMDXLBS-GRYCIOLGSA-N 213.365 2.826 0 40 BFAB CCc1nccn1C(=O)Nc1cccc(C)c1 28225297 LXGLLQHYWIFELN-UHFFFAOYSA-N 229.283 2.834 0 40 BFAB Cc1ccc(NC(=O)[C@@H]2CC=CCC2)nc1 32843879 UEJYPMVCWLBBCH-LLVKDONJSA-N 216.284 2.685 0 40 BFAB FC(F)(F)COc1cccc(CNC2CC2)c1 34816762 AGCRQQQGMZVHGC-UHFFFAOYSA-N 245.244 2.880 0 40 BFAB Cc1nc2c(c(C)c1Br)CCCN2 36652416 AJJRQDRKERDWHB-UHFFFAOYSA-N 241.132 2.819 0 40 BFAB O=C(O)/C=C/c1csc(Br)c1 39261748 ABWWLOPATRVAAV-OWOJBTEDSA-N 233.086 2.608 0 40 BFAB Cc1cc(C)cc(OCCN(C)C(=O)C2CC2)c1 40001090 QKWAKVUYMAANQC-UHFFFAOYSA-N 247.338 2.551 0 40 BFAB CNC(=O)CS[C@H](C)c1ccc(Cl)cc1 59932993 GAQBESCLPRSQIS-MRVPVSSYSA-N 243.759 2.880 0 40 BFAB CCOc1cccc(/C=C/CC(=O)O)c1 62710439 HCJWHQJFHYWKGQ-GQCTYLIASA-N 206.241 2.573 0 40 BFAB NCCc1ccc(-c2c(F)cccc2F)o1 70453004 LADQVLNNBYFGEP-UHFFFAOYSA-N 223.222 2.726 0 40 BFAB Cc1n[nH]cc1Nc1ncnc2cccc(F)c12 71899472 DCPXHGUYHCBMFG-UHFFFAOYSA-N 243.245 2.544 0 40 BFAB CC(C)[C@@H](N)[C@@H](C)CC(=O)Nc1ccccc1 72208183 FOSHKHXRVSVYIX-SMDDNHRTSA-N 234.343 2.635 0 40 BFAB CC(C)c1ocnc1C(=O)N1C[C@H](C)[C@@H](C)C1 72303680 OJKRKLKXFULZAU-UWVGGRQHSA-N 236.315 2.526 0 40 BFAB Cc1ccc([C@H](C)N)cc1Br 82533917 QZOVGJPADSENQV-ZETCQYMHSA-N 214.106 2.777 0 40 BFAB CCCCn1cc[n+](Cc2ccccc2)c1 83428656 IWCHXBFUNISINV-UHFFFAOYSA-N 215.320 2.624 0 40 BFAB Cc1ncsc1CNc1ccccc1CO 84149271 XKGHPWCZOMWBHT-UHFFFAOYSA-N 234.324 2.556 0 40 BFAB O=C(c1cc2cc(F)ccc2o1)N1CCCC1 89807258 IENAUIUTVKXPLC-UHFFFAOYSA-N 233.242 2.808 0 40 BFAB O=C(C1CCCC1)N1CCC[C@H]2CCC[C@H]21 89818012 CPAXREDCEZYJJO-DGCLKSJQSA-N 221.344 2.968 0 40 BFAB COc1ccc(CC(=O)c2ccc(F)cc2)cn1 94631515 ZBTSUVTXLRMQEZ-UHFFFAOYSA-N 245.253 2.655 0 40 BFAB CCOC1(c2ccccc2)CCC(N)CC1 95095625 VNABUCHNDHNDGI-UHFFFAOYSA-N 219.328 2.820 0 40 BFAB O[C@H](c1ccc(Cl)c(F)c1)c1ccccn1 95727363 JBJLGHBUFCBZST-GFCCVEGCSA-N 237.661 2.956 0 40 BFAB COc1ccc(OC(=O)C=C(C)C)cc1OC 96442977 FMORRVKERVHCMC-UHFFFAOYSA-N 236.267 2.575 0 40 BFAB C[C@H](c1ccncc1)N(C)Cc1cncs1 97113680 DKXBQLBYYUMPGF-SNVBAGLBSA-N 233.340 2.731 0 40 BFAB CC1(C)CCN1C(=O)c1cccc2[nH]ccc12 98016244 AJYNCQMYRAASQZ-UHFFFAOYSA-N 228.295 2.792 0 40 BFAB O=[N+]([O-])c1ccccc1N1CCC(F)(F)CC1 142398040 HGRAGERUSOWBDL-UHFFFAOYSA-N 242.225 2.830 0 40 BFAB Cc1cccc(Cn2c(C)cc(CN)c2C)c1 223662539 AWMPABWISVUBLN-UHFFFAOYSA-N 228.339 2.920 0 40 BFAB CCn1c(CCC(C)C)ccc1C(=O)O 226024596 WOQIRQZSIAVXHU-UHFFFAOYSA-N 209.289 2.795 0 40 BFAB CCCn1ccc(CNCc2cccs2)n1 256052885 PAQREXGKDZIUQB-UHFFFAOYSA-N 235.356 2.644 0 40 BFAB CC(=O)Oc1ccc(-c2ccc(C)c(C)c2)nn1 408527557 GEPHVOZLEAOHDB-UHFFFAOYSA-N 242.278 2.686 0 40 BFAB CCOC(=O)c1cc(OC)c2cccc(F)c2n1 685937227 OAHJYASQNJANTH-UHFFFAOYSA-N 249.241 2.559 0 40 BFAB COc1ccc(OC)c2c1C(=O)c1ccccc1-2 382916 WAZFWQLGOHYIGJ-UHFFFAOYSA-N 240.258 2.915 0 40 BFAB COC[C@H](C)OC(=O)c1ccccc1Cl 1586549 BMBFQEHWEOSSHA-QMMMGPOBSA-N 228.675 2.532 0 40 BFAB CCN(CC)CC(=O)Nc1cccc(Cl)c1 1671432 WQOCOSHCRRHWOJ-UHFFFAOYSA-N 240.734 2.620 0 40 BFAB Oc1ccc2c(c1)CC[N+]1=C2CC[C@@H]2CCC[C@@H]21 1718903 AFZUMYMXNCDSQR-NHYWBVRUSA-O 242.342 2.712 0 40 BFAB in-man CCCCCNC(=O)[C@H](C)Oc1ccccc1 2748004 MZDBBEVHNYTQDD-LBPRGKRZSA-N 235.327 2.760 0 40 BFAB Clc1ccccc1NC1CCNCC1 4312828 ZXIZRGRPNLWFEN-UHFFFAOYSA-N 210.708 2.504 0 40 BFAB in-vitro CCc1c(C)[nH]c2ccc(C(=O)O)cc12 4942719 ZVPOGFAXZBEYDE-UHFFFAOYSA-N 203.241 2.737 0 40 BFAB CCC[C@]12CCC(=O)N1c1ccccc1N2 9936955 MAWMCMZLVZCDQY-CYBMUJFWSA-N 216.284 2.735 0 40 BFAB CCn1cc(CNc2ccccc2O)c(C)n1 12394868 GSKKMIQQKPSISO-UHFFFAOYSA-N 231.299 2.529 0 40 BFAB C[C@H]1CCCCN1C(=O)NCc1ccccc1 12891875 FVHGZQNBQYFYCZ-LBPRGKRZSA-N 232.327 2.771 0 40 BFAB C[C@H]1CC[C@@H](C)N1c1cccc(C(=O)O)c1 14001310 XRUBTHYGOWUUDN-AOOOYVTPSA-N 219.284 2.762 0 40 BFAB Cc1cc(C=O)cc(OC(F)(F)F)c1 16158951 LAGVGNCAIJDRHK-UHFFFAOYSA-N 204.147 2.706 0 40 BFAB in-vitro CCc1n[nH]c(N)c1-c1ccc(C)cc1 20191130 LBZVKAZEZNRWHG-UHFFFAOYSA-N 201.273 2.530 0 40 BFAB CC[C@@H](C)C(=O)Nc1ccc(C)cc1O 32895948 ZUAMBHVVGITIDJ-SECBINFHSA-N 207.273 2.685 0 40 BFAB C[C@@H](C1CC1)N(C)C(=O)c1ccc(Cl)o1 32907067 VETHFPWLZMCSBY-ZETCQYMHSA-N 227.691 2.804 0 40 BFAB CC(C)(Nc1ccccc1Cl)C(=O)O 37859047 IEEYGIXMTBZTJR-UHFFFAOYSA-N 213.664 2.615 0 40 BFAB CCc1ccc2[nH]c(C)c(CC)c(=O)c2c1 38005077 JOOMIVLNFFJYDQ-UHFFFAOYSA-N 215.296 2.961 0 40 BFAB CC(=O)c1cc2cc(C(C)(C)O)oc2cc1O 38294012 KIMYVHHWVJXJAN-UHFFFAOYSA-N 234.251 2.568 0 40 BFAB biogenic CC(C)c1ccc([C@@H](CO)N2CCCC2)cc1 41261280 QDZZZASAXANEAU-OAHLLOKOSA-N 233.355 2.939 0 40 BFAB CCN(CC)c1cccc(OC2CCNCC2)c1 42775591 ORJQANKCIOFLRO-UHFFFAOYSA-N 248.370 2.664 0 40 BFAB CC1(NC(=O)c2ccnc(F)c2)CCCCC1 45046478 OOVVBOAQOYTWFA-UHFFFAOYSA-N 236.290 2.673 0 40 BFAB in-vitro Cn1ccnc1Sc1nc2ccccc2o1 48544171 QHDNCLKMWRZPFY-UHFFFAOYSA-N 231.280 2.713 0 40 BFAB CCC(=O)c1cc(F)cc(Cl)c1O 52068532 HCELNKJJPMBWFG-UHFFFAOYSA-N 202.612 2.777 0 40 BFAB O=C(NCc1ccccc1Cl)NCC1CC1 57536026 WAOBGCFIEVQMNN-UHFFFAOYSA-N 238.718 2.549 0 40 BFAB CCN(C(=O)c1cnc(C)cn1)C1CCCCC1 58316500 VLKZPFMPOGPRQU-UHFFFAOYSA-N 247.342 2.580 0 40 BFAB COc1ccc2[nH]c(C)c(C(C)C)c(=O)c2c1 61688209 IJVKDBSNZYSVFN-UHFFFAOYSA-N 231.295 2.969 0 40 BFAB CC[C@H](C)C(=O)N1CCC[C@@H](C(F)(F)F)C1 65491051 HAEVUMVRGZSTNO-DTWKUNHWSA-N 237.265 2.833 0 40 BFAB Cc1cc(C)c(-c2n[nH]cc2C(=O)O)cc1C 66442637 SAOIXHGGULNQFK-UHFFFAOYSA-N 230.267 2.700 0 40 BFAB C[C@@H](Nc1ncnc2[nH]ncc12)c1cccs1 72238768 KMDFYWOOLMFCCX-SSDOTTSWSA-N 245.311 2.588 0 40 BFAB O=c1ccc2cc(-n3cccc3)ccc2o1 73195829 MGESZAXKAGARTJ-UHFFFAOYSA-N 211.220 2.584 0 40 BFAB N[C@H](c1cc(Br)ccc1F)C1CC1 75902617 LVFQLBOMQVKLIJ-JTQLQIEISA-N 244.107 2.998 0 40 BFAB CCOCCCC(=O)Nc1ccc2[nH]ccc2c1 79043189 ZYLJVQTWYMNYJJ-UHFFFAOYSA-N 246.310 2.923 0 40 BFAB CC[C@@H](NC[C@@H]1CC=CCC1)c1noc(C)n1 95434078 TWFHNFKRMPQBHT-VXGBXAGGSA-N 235.331 2.775 0 40 BFAB CC(=O)Cc1ccc(F)c(C(F)(F)F)c1 95913010 CJLCLKGYQKOUEQ-UHFFFAOYSA-N 220.165 2.976 0 40 BFAB c1cc(CCCSc2ncc[nH]2)ccn1 96010436 RZAIBQFARNKXRM-UHFFFAOYSA-N 219.313 2.530 0 40 BFAB Nc1ccnc(-c2ccc(Cl)cc2)c1 96023934 KKUFMKKUYRIPGG-UHFFFAOYSA-N 204.660 2.984 0 40 BFAB O=Cc1cncc(C(F)(F)C(F)(F)F)c1 169802192 PDWBPCGEGQDMQF-UHFFFAOYSA-N 225.116 2.548 0 40 BFAB CS[C@@H]1CCN(C(=O)Nc2ccccc2)C1 206690257 IMYJZXHGTTTZNA-LLVKDONJSA-N 236.340 2.656 0 40 BFAB Cc1cc(C)cc(N2CCN[C@@H]3CCC[C@H]32)c1 218848568 AUIDVXAAFPXFDS-HUUCEWRRSA-N 230.355 2.634 0 40 BFAB COC(=O)c1cc(C)n(CC(C)C)c1C 223697076 FKEXTCYAUSTZRJ-UHFFFAOYSA-N 209.289 2.548 0 40 BFAB Nc1ncnc(Cl)c1C1CCCCC1 225311819 CDXCNUNAIAJIFW-UHFFFAOYSA-N 211.696 2.760 0 40 BFAB C[C@H](Cc1ccccc1F)N[C@H]1C[C@H]2CC[C@H]1O2 225435347 OIQQRBLZXDRNPW-WAZAZEMKSA-N 249.329 2.666 0 40 BFAB Cc1nonc1CSc1nc2ccccc2o1 256029746 DNANIKBFOPLRFD-UHFFFAOYSA-N 247.279 2.812 0 40 BFAB CCOC(=O)c1nn(C2CCCC2)cc1Cl 408715824 FHPRUOCBRKPWTB-UHFFFAOYSA-N 242.706 2.828 0 40 BFAB CCOc1ccccc1-c1nc(CO)c(C)o1 409422506 HNHAOLWYSNYXNX-UHFFFAOYSA-N 233.267 2.541 0 40 BFAB CSc1ccc2[nH]cc(C)c(=O)c2c1 685938233 MFYQTGWKBMZMAB-UHFFFAOYSA-N 205.282 2.558 0 40 BFAB COc1cccc2nc(OCC3CC3)c(N)cc12 685938367 JWAIJVYWHICETF-UHFFFAOYSA-N 244.294 2.614 0 40 BFAB O=C1CCC(=O)N1c1c(Cl)cccc1Cl 263497 QYBXVNZMJRJXII-UHFFFAOYSA-N 244.077 2.647 0 40 BFAB COc1cccc(C(=O)Nc2ncc(C)s2)c1 3555852 ACCONHSCVIVFKV-UHFFFAOYSA-N 248.307 2.712 0 40 BFAB CC[C@@H](C)C(=O)Nc1ccc(Cl)cn1 5593248 ZJXLOQISZGLQIY-SSDOTTSWSA-N 212.680 2.720 0 40 BFAB NC(=O)c1ccc(COc2ccccc2F)cc1 12948770 YBWVJDYBEUMQFQ-UHFFFAOYSA-N 245.253 2.504 0 40 BFAB Clc1ccc(O[C@@H]2CCNC2)c(Cl)c1 14632101 GBIXEZKLXLWGNZ-MRVPVSSYSA-N 232.110 2.734 0 40 BFAB in-vitro O=C(O)c1cc(-c2ccc[nH]2)nc2ccccc12 15085806 HRSMHLJNYJAMBL-UHFFFAOYSA-N 238.246 2.928 0 40 BFAB Nc1cccnc1Nc1ccc(F)cc1 20317535 KANSXBGVFUJMTJ-UHFFFAOYSA-N 203.220 2.547 0 40 BFAB in-vitro CCc1c(C=O)c(C)n(-c2ccccn2)c1C 22122238 VDWRXGABFXSLMB-UHFFFAOYSA-N 228.295 2.864 0 40 BFAB O=C(O)[C@H]1Cc2ccccc2N1c1ccccc1 26439089 NYCKZXCDROKASX-CQSZACIVSA-N 239.274 2.834 0 40 BFAB CC(C)OC(=O)[C@@H](C)n1cnc2ccccc21 26474467 OHJAWECPZJCNPJ-SNVBAGLBSA-N 232.283 2.549 0 40 BFAB Clc1cccc(COC[C@@H]2CCCN2)c1 28521848 QGFAIHMYLUWEMQ-LBPRGKRZSA-N 225.719 2.609 0 40 BFAB C[C@H](Sc1ccc(Cl)cc1)C(=O)N(C)C 33026219 MNZWFADELBONBQ-QMMMGPOBSA-N 243.759 2.909 0 40 BFAB O=Cc1c[nH]nc1-c1cccc(C(F)(F)F)c1 34956914 FOFBLWVYOQSSMS-UHFFFAOYSA-N 240.184 2.908 0 40 BFAB CC(=O)c1ccc(O[C@H]2CCCCO2)cc1O 35904930 IWZBNLQMMUTGFS-ZDUSSCGKSA-N 236.267 2.500 0 40 BFAB in-vitro CCCCOc1cc(C(=O)O)ccc1C 42227821 YHAFOURKDYFSHY-UHFFFAOYSA-N 208.257 2.872 0 40 BFAB O=C1CCCc2[nH]nc(Nc3ccccc3)c21 43220737 JKDLNVRZPMNCCS-UHFFFAOYSA-N 227.267 2.672 0 40 BFAB CCCc1noc([C@@H](C)N2CCC[C@H](C)C2)n1 44583693 FQARJKDRGABXFF-WDEREUQCSA-N 237.347 2.815 0 40 BFAB Cc1ccncc1C(=O)c1cccc(F)c1F 45029024 HTNTXOLWFUWHPW-UHFFFAOYSA-N 233.217 2.899 0 40 BFAB CC(=O)Nc1nnc(-c2ccc(C)cc2C)s1 49159862 OHLRAXZOZKNFQT-UHFFFAOYSA-N 247.323 2.780 0 40 BFAB C1=CO[C@@H](CNc2ccc3[nH]ncc3c2)CC1 50268331 GHGFCMNPYOAAEJ-GFCCVEGCSA-N 229.283 2.668 0 40 BFAB C[C@]1(c2ccccc2Cl)C[C@@H]1C(=O)O 52126839 DTRQTBNNCPNXHA-LDYMZIIASA-N 210.660 2.702 0 40 BFAB Cc1nc(C(C)(C)C)sc1C(=O)NC(C)C 61341495 OYMCVANUPOYKIH-UHFFFAOYSA-N 240.372 2.887 0 40 BFAB O=C(CC1CCCCC1)OCc1ccon1 71914276 FXYOICHSXDJEBW-UHFFFAOYSA-N 223.272 2.688 0 40 BFAB Clc1cc(N2CCOCC2)nc2ccccc12 72210620 SQSRFIQNKNHSFA-UHFFFAOYSA-N 248.713 2.725 0 40 BFAB CNCc1ccc(Nc2ccccc2)nc1 72225313 XFCZONHIEDTZAD-UHFFFAOYSA-N 213.284 2.545 0 40 BFAB Cc1cncc(C(=O)N2C[C@H]3CCCC[C@@H]3C2)c1 89591490 MTPCFRAABYGYGF-CHWSQXEVSA-N 244.338 2.652 0 40 BFAB OCc1ccc(N2CCCC2)cc1C(F)(F)F 95093805 SZOHKIUHVZMDIG-UHFFFAOYSA-N 245.244 2.798 0 40 BFAB COCC(=O)Nc1ccccc1SC(C)C 96473550 RDAIOCYAFVVVTQ-UHFFFAOYSA-N 239.340 2.772 0 40 BFAB c1csc(-c2nccn2C[C@H]2CCOC2)c1 96494604 CWRFRIXNQMISOP-SNVBAGLBSA-N 234.324 2.648 0 40 BFAB Fc1ccc(-c2n[nH]c3c2[C@H]2CC[C@@H](C3)N2)cc1 96510274 MWOBHEQMFAEHSG-WDEREUQCSA-N 243.285 2.565 0 40 BFAB S=C(NC1CCCC1)N[C@@H]1C[C@@H]2CC[C@@H]1C2 101853114 WXJSSYZPESMJNR-CKYFFXLPSA-N 238.400 2.582 0 40 BFAB CCN(CC)CCCCOc1cccc(C=O)c1 217794415 SPGBFJJHDGSRDY-UHFFFAOYSA-N 249.354 3.000 0 40 BFAB CC(C)(C)OC(=O)[C@H]1CCCC[C@H]1F 710673506 KRKYSFHPHGDPAB-DTWKUNHWSA-N 202.269 2.856 0 40 BFAB Cc1ccc2c(c1)c(C)c1n2CCN[C@H]1C 517888 UVXUELUMSMKCIT-NSHDSACASA-N 214.312 2.922 0 40 BFAB biogenic Cc1ccc(C(=O)[C@H]2CN3CCC2CC3)cc1 541930 UMVKXFHKMGJHBA-AWEZNQCLSA-N 229.323 2.520 0 40 BFAB COc1ccc(C(=O)CCCCC(=O)O)cc1 2243622 ATKKAJODCWFVDH-UHFFFAOYSA-N 236.267 2.523 0 40 BFAB Cc1cccc(N)c1S[C@H]1CCCC[C@H]1O 4082660 LJGIJNFBHPWGCW-NEPJUHHUSA-N 237.368 2.973 0 40 BFAB CN(C)CCOc1cc(Cl)cc(Cl)c1 4110285 ACZZLCHXEZHZRO-UHFFFAOYSA-N 234.126 2.934 0 40 BFAB Nc1ccnn1Cc1cccc(Cl)c1Cl 4218868 WWDWWRCIRCDQTN-UHFFFAOYSA-N 242.109 2.820 0 40 BFAB in-vitro O=C1C=CC[C@@H](/C=C\c2ccccc2)O1 4946612 RLGHFVLWYYVMQZ-PRDAAYKISA-N 200.237 2.572 0 40 BFAB Cc1ccc(NC(=O)CC(C)C)c(O)c1 8378796 SHBNLFWNJPGAPZ-UHFFFAOYSA-N 207.273 2.685 0 40 BFAB Cc1cc(C)cc(O[C@H](C)C(=O)N2CCCC2)c1 8498349 ZXCRLMXPMNIHHL-CYBMUJFWSA-N 247.338 2.693 0 40 BFAB CC(C)c1ccc(-c2n[nH]cc2C(=O)O)cc1 9189793 NDTGLPISIGZOKS-UHFFFAOYSA-N 230.267 2.898 0 40 BFAB C[C@@H]1CCc2noc(NC(=O)c3ccco3)c2C1 9340747 JDGHLWOEBSCEQO-MRVPVSSYSA-N 246.266 2.645 0 40 BFAB S=c1[nH]nc(CNc2cccc(Cl)c2)o1 13111397 KTYAXFLZIVTHHW-UHFFFAOYSA-N 241.703 2.998 0 40 BFAB CCCNC(=S)Nc1ccccc1CC 13789122 VCXVVEXHPQQNQY-UHFFFAOYSA-N 222.357 2.945 0 40 BFAB CN(c1ccccc1)c1ccc(C(=O)O)cn1 19731749 KOTLJYPXQMUZTK-UHFFFAOYSA-N 228.251 2.548 0 40 BFAB in-vitro CC[C@@H](C)CNc1ccc2c(c1)OCO2 20093013 NKURNCLAWDCGQM-SECBINFHSA-N 207.273 2.873 0 40 BFAB C[C@H](Sc1ccc(C(C)(C)C)cc1)C(N)=O 26091265 NWOGDOKZJCTYGQ-VIFPVBQESA-N 237.368 2.950 0 40 BFAB O=C(O)c1cc(-c2cccnc2)cs1 26459376 OVZIRHVCQHQBML-UHFFFAOYSA-N 205.238 2.508 0 40 BFAB Cc1cccnc1Sc1ncccc1C(=O)O 32647102 BXHFURBTWIKZIB-UHFFFAOYSA-N 246.291 2.634 0 40 BFAB Cc1csc(C2(N)CCCCCC2)n1 33487450 PMLQESJABAPBJP-UHFFFAOYSA-N 210.346 2.960 0 40 BFAB in-vitro O=C(c1ccc(S)cc1)C(F)(F)F 36533782 KHVYFEZEKOHGOB-UHFFFAOYSA-N 206.188 2.720 0 40 BFAB CCc1c(-c2cc(C)ccc2C)n[nH]c1N 36916165 LZBFKDUNKLINME-UHFFFAOYSA-N 215.300 2.838 0 40 BFAB CC[C@H](C)n1c(CCCN)nc2ccccc21 40163862 LMMRRMGIFSJQDL-NSHDSACASA-N 231.343 2.899 0 40 BFAB Cc1cccc(C(=O)[C@H]2CC[C@@H](C(=O)O)C2)c1 43878950 UFNJUVMSAIPJJH-NWDGAFQWSA-N 232.279 2.679 0 40 BFAB Cc1cnc(NC(=O)c2cc(Cl)c[nH]2)s1 44872348 YWGVYQIAHJYKQK-UHFFFAOYSA-N 241.703 2.685 0 40 BFAB Cc1cc([C@H](C)NC(=O)N2CCC2)c(C)s1 46601752 JWDXVQMZTLBMRW-VIFPVBQESA-N 238.356 2.841 0 40 BFAB C[C@@H](NC(=O)C[C@@H]1C=CCC1)c1cccnc1 48325886 VMZKWCPJZLLYPZ-VXGBXAGGSA-N 230.311 2.615 0 40 BFAB O=C(O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 62494841 UKRIUIRBTVRYAH-IUCAKERBSA-N 230.185 2.894 0 40 BFAB CC(C)(C)C(=O)N[C@@H]1CCCc2occc21 69452443 IGHSWHVUTTVQJY-SNVBAGLBSA-N 221.300 2.819 0 40 BFAB Cc1cnn(C[C@@H](C)NCc2sccc2C)c1 69454137 YPFJPDWSRVGASE-GFCCVEGCSA-N 249.383 2.740 0 40 BFAB Cc1ccncc1NC(=O)c1ccc(F)cc1 71414136 KNELJEZHYABISA-UHFFFAOYSA-N 230.242 2.781 0 40 BFAB CCN1CCCC[C@@H]1c1ccc(C)nc1 72211252 SHTLUNYUAGFTIH-CYBMUJFWSA-N 204.317 2.937 0 40 BFAB Cc1ccnc([C@H]2CCN(C3CCCCC3)C2)n1 72381184 HJTXPYJKTDXBHB-ZDUSSCGKSA-N 245.370 2.907 0 40 BFAB Cc1ccc(NC(=O)CCOC(C)C)cc1F 75538698 GPXCWFDURCYLAQ-UHFFFAOYSA-N 239.290 2.888 0 40 BFAB C[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1ccon1 75837886 RIDCMWWEBZUAEV-WZRBSPASSA-N 220.316 2.828 0 40 BFAB CCOC(=O)CCCOc1cccc(F)c1 75881214 UJOSCSUZMDVWFU-UHFFFAOYSA-N 226.247 2.548 0 40 BFAB CO[C@@H](C)C(=O)Oc1cc(C)c(Cl)c(C)c1 77640005 JDTBMYWGQJLAQG-VIFPVBQESA-N 242.702 2.897 0 40 BFAB C[C@H](CNc1ccccc1)NC(=O)C1CC=CC1 89901393 CWIQERDVCTXMLP-GFCCVEGCSA-N 244.338 2.569 0 40 BFAB COCC1CCN(Cc2ccc(C)s2)CC1 93103540 PVNXIDRGARBAOR-UHFFFAOYSA-N 239.384 2.915 0 40 BFAB CC(C)[C@@](C)(O)c1cccc(N(C)C)c1 95739267 HPDCOQXZUMICMJ-CYBMUJFWSA-N 207.317 2.616 0 40 BFAB Cc1ccc(CC[C@@H](C)NCC[C@@H](C)O)cc1 95968047 BHTIBFFNNFXOPJ-ZIAGYGMSSA-N 235.371 2.677 0 40 BFAB COc1ccccc1CCCn1cccn1 96002064 FJMBWXKFFUPXSK-UHFFFAOYSA-N 216.284 2.525 0 40 BFAB C[C@](O)(c1cc(F)c(F)c(F)c1)C1CC1 96543337 HZOCMZXKTMSDRO-LLVKDONJSA-N 216.202 2.721 0 40 BFAB O=C(O)c1c(Br)sc2c1CCC2 96918472 VNTPEQMLEDXCDW-UHFFFAOYSA-N 247.113 2.698 0 40 BFAB COP(=O)(OC)[C@H]1C[C@@H]2CC[C@@H]1C2 100419282 AFYAXLIVZXULKL-HLTSFMKQSA-N 204.206 2.661 0 40 BFAB CC(C)(C)c1cc(O)n2c(n1)nc1ccccc12 101460064 UWWFQNNJEDPSJW-UHFFFAOYSA-N 241.294 2.886 0 40 BFAB OC1(Cc2ccc(Cl)cc2F)CCOCC1 163193896 NJVCEKPEHUAJQQ-UHFFFAOYSA-N 244.693 2.563 0 40 BFAB CCCc1ncc(CC(=O)OC(C)(C)C)s1 199830103 OWIFFLXQIOFOGQ-UHFFFAOYSA-N 241.356 2.980 0 40 BFAB CC[C@@H](C)N1CCN(C[C@H]2C[C@@H]3C=C[C@@H]2C3)CC1 222216606 GZCRAGOTMUZNSI-KLHDSHLOSA-N 248.414 2.615 0 40 BFAB CC1(C)[C@H]2CC[C@@]1(C)[C@](O)(c1ccccc1)[C@H]2O 242548068 LBJOLABNGPWNAP-UGQVUOCMSA-N 246.350 2.691 0 40 BFAB Cc1c[nH]c([C@@H]2CCCN2Cc2nccs2)n1 257246949 IWRQTUJEWFNTLN-JTQLQIEISA-N 248.355 2.512 0 40 BFAB CN(C(=O)OC(C)(C)C)[C@H](CN)CC(C)(C)C 259450311 VWPNBGLODDFENC-JTQLQIEISA-N 244.379 2.617 0 40 BFAB CC(=O)Oc1ccccc1C(=O)C(F)(F)Cl 390223368 ADLDIJAEYPEHTD-UHFFFAOYSA-N 248.612 2.626 0 40 BFAB CCc1nc2cc(C)c(C)cc2nc1C(=O)O 604941593 QYLXQKSKVMHICF-UHFFFAOYSA-N 230.267 2.507 0 40 BFAB Cc1c(Br)cnn1CC(F)(F)F 675032398 WUYFBGGLNIKEGQ-UHFFFAOYSA-N 243.026 2.516 0 40 BFAB NC1CCC(NC2=C(c3ccccc3)C2)CC1 1560406096 QUFQLASSTTUIGS-UHFFFAOYSA-N 228.339 2.661 0 40 BFAB Cn1cnc(-c2ccc(Cl)c(Cl)c2)n1 2362801758 ROUOJISAWFIGBJ-UHFFFAOYSA-N 228.082 2.789 0 40 BFAB CC(=O)NCc1c(Cl)cccc1Cl 139679 MDSIORNLJCVXLC-UHFFFAOYSA-N 218.083 2.630 0 40 BFAB in-vitro CC(C)COc1ccc(C(=O)N2CCCC2)cc1 1476177 DBLYAHVDVFVLKJ-UHFFFAOYSA-N 247.338 2.957 0 40 BFAB CC[C@@H](C)n1c(C)cc(=O)n1[C@H](C)CC 1710355 RBKMMZIPXVUYCG-NXEZZACHSA-N 210.321 2.900 0 40 BFAB C[n+]1ccc(CCc2c[nH]c3ccccc23)cc1 1768347 AOHPDMTXHZGFIV-UHFFFAOYSA-N 237.326 2.778 0 40 BFAB CCCCOC(=O)c1cccc(NC(=O)CC)c1 1807990 YIQWPOXOCDDDCO-UHFFFAOYSA-N 249.310 2.992 0 40 BFAB CN[C@H]1CCCc2c(OC)ccc(Cl)c21 1998969 ZUUXQKLPCWQSDW-JTQLQIEISA-N 225.719 2.945 0 40 BFAB CCOC(=O)c1ccccc1-n1cccc1 2527306 PJRVHTKUFNCDJR-UHFFFAOYSA-N 215.252 2.654 0 40 BFAB in-vitro O=C1CCSc2ccc(Cl)cc2N1 4013693 FWGFLNZELROVRY-UHFFFAOYSA-N 213.689 2.774 0 40 BFAB Cc1ccc(CC(=O)N2CCC[C@@H](C)C2)cc1 6478893 LZCRPEINWQFTNV-CYBMUJFWSA-N 231.339 2.796 0 40 BFAB CC[C@H](C)NC(=O)[C@@H](C)Oc1ccc(C)cc1C 8041536 VQVXETFYVURVLR-QWHCGFSZSA-N 249.354 2.985 0 40 BFAB Cc1ccc(C(=O)N(C)[C@H](C)C2CC2)cc1 12973468 IPDRSDILWGRCHI-LLVKDONJSA-N 217.312 2.866 0 40 BFAB Nc1cccc(COCCOc2ccccc2)c1 19391622 NWDSOSRWKMNJII-UHFFFAOYSA-N 243.306 2.864 0 40 BFAB in-vitro Cc1cccc(-c2nc(-c3cccnc3)n[nH]2)c1 26507383 RRZXNOKYOAUNOU-UHFFFAOYSA-N 236.278 2.842 0 40 BFAB CC(C)Oc1ccccc1CNC[C@@H]1CCCO1 32104791 BOEUSBWYSAPXAK-AWEZNQCLSA-N 249.354 2.742 0 40 BFAB O=C(O)c1ccc(COCC(F)(F)F)s1 36644425 DACKXUFQJWUSHS-UHFFFAOYSA-N 240.202 2.525 0 40 BFAB in-vitro Cc1ccsc1C(=O)c1ccccc1C(=O)O 42728685 PZLIRFGGKPVHJA-UHFFFAOYSA-N 246.287 2.986 0 40 BFAB c1ccc(SCC[C@@H]2CCCCN2)nc1 43499466 HNXQSOOCEHVHEA-NSHDSACASA-N 222.357 2.706 0 40 BFAB Cc1cc(F)ccc1C(=O)c1ccccn1 55199149 MONIDLGXGWGNPR-UHFFFAOYSA-N 215.227 2.760 0 40 BFAB COc1ccc(C(C)C)cc1C(=O)N(C)C 72206507 RWFAQQIVLWGUPY-UHFFFAOYSA-N 221.300 2.520 0 40 BFAB CCCCN1CCCC[C@@H]1C(=O)NC(C)(C)C 72277679 FBLKLHHVSLOBEJ-GFCCVEGCSA-N 240.391 2.556 0 40 BFAB CN[C@H]1CCc2c(Br)cccc21 82420041 DIZCQUBLYGWURJ-JTQLQIEISA-N 226.117 2.656 0 40 BFAB O=C1CCCc2c1cnn2-c1ccc(F)cc1F 82823944 KHFDOGSJXDEIRK-UHFFFAOYSA-N 248.232 2.670 0 40 BFAB O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)C1CC1 84544030 XUJCZHUPQVBGRA-WCFLWFBJSA-N 221.344 2.872 0 40 BFAB CC[C@H]1CCCCCN1C(=O)[C@@H]1CCCOC1 89948270 JAZYCAXUYWLUOE-OLZOCXBDSA-N 239.359 2.594 0 40 BFAB Cc1cc2c(N3CC[C@H](C)C3)ncnc2s1 90088096 AWJBWKFBZUWCSG-QMMMGPOBSA-N 233.340 2.846 0 40 BFAB CCc1ccc([C@H](C)N[C@H](C)CCOC)o1 95421516 WVRBDULDEVIXOO-MNOVXSKESA-N 225.332 2.918 0 40 BFAB Clc1cnc2c(Cl)nc(Cl)nc2c1 95762349 MLALFCICPSCTQF-UHFFFAOYSA-N 234.473 2.985 0 40 BFAB CC(C)CC[C@H]1CCCN1C[C@@H]1CCOC1 390833232 DXEUIIVLIQCQGZ-UONOGXRCSA-N 225.376 2.924 0 40 BFAB CCOC(=O)c1cc(OC)c2c(F)cccc2n1 685937491 YTPFIBWZPOYHSV-UHFFFAOYSA-N 249.241 2.559 0 40 BFAB CC(C)(C)c1ccc(OCC(N)=S)cc1 120706 MAYZZYWCWZYHOE-UHFFFAOYSA-N 223.341 2.649 0 40 BFAB C[C@H]1CCO[C@@](C)(Cc2ccccc2)O1 1566547 TXFAVUPKTNYIEY-WCQYABFASA-N 206.285 2.771 0 40 BFAB COC1=Cc2nc3ccccc3nc2OC1(C)C 1611813 BSMIGNQFGZELLO-UHFFFAOYSA-N 242.278 2.788 0 40 BFAB CC[C@@H](C)N1CCN(c2ccccc2OC)CC1 1664860 NVCSFEBABPLCIT-CYBMUJFWSA-N 248.370 2.616 0 40 BFAB CC(C)Cc1ccc([C@@H](C)C2=NCCN2)cc1 2206742 WUFOITUIUASKPI-GFCCVEGCSA-N 230.355 2.990 0 40 BFAB C[C@H](CCC(=O)O)COCc1ccccc1 2576996 FUJSQHVWQAVRNN-LLVKDONJSA-N 222.284 2.704 0 40 BFAB Cc1[nH]c(=S)[nH]c1Cc1ccccc1 3394132 PUBLWZQCQIJQJH-UHFFFAOYSA-N 204.298 2.972 0 40 BFAB CC(C)NC(=O)COc1cccc2ccccc12 4070764 FFUIRTDWHVKULK-UHFFFAOYSA-N 243.306 2.743 0 40 BFAB COC(=O)Cc1nc(-c2ccccc2)cs1 4218378 OGNQEXKJRUCLAY-UHFFFAOYSA-N 233.292 2.526 0 40 BFAB CCCS[C@H]1CCCC[C@@H]1C(=O)O 5015161 DABOLUKERAQTBU-IUCAKERBSA-N 202.319 2.773 0 40 BFAB CCC(=O)Nc1nnc(-c2ccc(C)c(C)c2)o1 5372085 BVLWVBNQSDUQMP-UHFFFAOYSA-N 245.282 2.702 0 40 BFAB c1ccc(CN2CO[C@H]3CCCC[C@@H]32)cc1 5463359 UHPYVHWCNHLAGQ-KBPBESRZSA-N 217.312 2.788 0 40 BFAB CCC[C@@H](Oc1cccc(C)c1)C(=O)O 8730624 SFSBLOGMWQOSIH-LLVKDONJSA-N 208.257 2.627 0 40 BFAB C[C@@H](O)c1cc2ccccc2nc1Cl 11727502 BNZZXSYIUHVITJ-SSDOTTSWSA-N 207.660 2.942 0 40 BFAB CC(C)=C[C@H]1[C@H](C(=O)NC(C)C)C1(C)C 12981289 KAKXBNHJXOBMRL-WDEREUQCSA-N 209.333 2.749 0 40 BFAB CCc1ccc(OC[C@H]2CCCNC2)cc1 14631283 NZFUQLZOJKQCLM-ZDUSSCGKSA-N 219.328 2.627 0 40 BFAB Nc1cc(Cl)ccc1-c1nc(C2CC2)no1 19232079 DAUJDMVOVJWMKW-UHFFFAOYSA-N 235.674 2.850 0 40 BFAB in-vitro C[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(N)c1 19259903 FMYFNURJMSQINX-MFKMUULPSA-N 232.327 2.577 0 40 BFAB Fc1ccccc1CCNCc1ccncc1 19912636 OJNYPJVJJPQGAW-UHFFFAOYSA-N 230.286 2.553 0 40 BFAB CCn1c(C(F)(F)F)nc2cc(N)ccc21 21948228 MWBBSOFPIYUTMQ-UHFFFAOYSA-N 229.205 2.657 0 40 BFAB CCCCC[C@@H](O)CNCc1ccccc1 26897805 SYHHGKXCKVTSGK-CQSZACIVSA-N 221.344 2.717 0 40 BFAB O=c1[nH]c2c(s1)C=C1[C@@H]3CC[C@@H](C3)[C@H]1S2 35053049 QBGACPFAZOJJRC-QIOHGKGESA-N 237.349 2.724 0 40 BFAB Cc1cc(Sc2ncccn2)ccc1N 35278611 GMQQDMCLEHUURT-UHFFFAOYSA-N 217.297 2.518 0 40 BFAB in-vitro O=C(CCc1cccc(F)c1)N1CCCCC1 40476635 DQKFSMPFJMBJBF-UHFFFAOYSA-N 235.302 2.771 0 40 BFAB COc1ccc(CC[C@H]2CCCNC2)cc1 41232929 SHUJREMIZRVVFI-CYBMUJFWSA-N 219.328 2.627 0 40 BFAB CCCCc1nc2cc(C(=O)OC)ccc2o1 44713470 OCDAYCZSVYVWSD-UHFFFAOYSA-N 233.267 2.957 0 40 BFAB Cc1ccoc1C(=O)N1C[C@H](C)C[C@@H](C)C1 48354109 DEFAOUGAKFMTBM-NXEZZACHSA-N 221.300 2.706 0 40 BFAB CNC(=O)c1ccc(CN(C)CCC(C)C)cc1 58280908 AIJZURAPQIRROC-UHFFFAOYSA-N 248.370 2.524 0 40 BFAB CCC[C@H](C)C(=O)Nc1nnc(C2CC2)s1 60388480 ZYHTXFIEEHEKAI-ZETCQYMHSA-N 239.344 2.790 0 40 BFAB c1ccc(CNCCNC2CCCCC2)cc1 66184123 YHAXKXSRCNYJJB-UHFFFAOYSA-N 232.371 2.699 0 40 BFAB CNc1ccc([C@H](O)c2ccccc2)c(C)n1 72224102 DOCYCEDZMJRQRK-CQSZACIVSA-N 228.295 2.513 0 40 BFAB Cc1nc(N(C)C)ccc1[C@H](O)c1ccccc1 72224150 XENKJUSJZGJCMB-OAHLLOKOSA-N 242.322 2.538 0 40 BFAB Fc1ccccc1-c1cnc([C@H]2CCCN2)cn1 72386787 VAUWNETYBIPRTF-GFCCVEGCSA-N 243.285 2.707 0 40 BFAB COc1ccc2oc(-c3cccnc3)nc2c1 73638646 UUOLJFASVLKJLF-UHFFFAOYSA-N 226.235 2.898 0 40 BFAB O=c1ccoc2ccc(C(F)(F)F)cc12 75881984 DIFFFMMURDMFNR-UHFFFAOYSA-N 214.142 2.812 0 40 BFAB Cc1coc2c1[C@@H](O)C[C@@H](C(F)(F)F)C2 85399171 QHPGXOSSNIGLBJ-RQJHMYQMSA-N 220.190 2.746 0 40 BFAB Cc1[nH]ccc1C(=O)N1CCC[C@@H]2CCC[C@@H]21 89536759 KQJGJQVQFKVYOW-AAEUAGOBSA-N 232.327 2.728 0 40 BFAB Cc1sc(NCc2ccccc2)nc1C(=O)O 95471973 ODWMWCGSPZBQCN-UHFFFAOYSA-N 248.307 2.762 0 40 BFAB Cc1cc(Oc2nn(C)cc2N)ccc1Cl 95836606 AJLMRKMINOGPMP-UHFFFAOYSA-N 237.690 2.756 0 40 BFAB CCC(=O)[C@H](C)Sc1nnc(SC)s1 95952991 JRGRZZYWIFMBHC-YFKPBYRVSA-N 248.398 2.720 0 40 BFAB CC(C)c1nc2nccc(-c3ccccc3)n2n1 96344189 SKXIDNMWIWECKY-UHFFFAOYSA-N 238.294 2.915 0 40 BFAB COc1ccccc1/N=c1\scc(C)n1C 100305092 TUTOJNRLMBSQCP-SEYXRHQNSA-N 234.324 2.636 0 40 BFAB CC(=O)Oc1ccccc1C(=O)C1CCCC1 201518554 PIFUSBASXFCWHC-UHFFFAOYSA-N 232.279 2.985 0 40 BFAB N[C@H]1CCCC[C@H]1Nc1cc(F)cc(F)c1 218866584 YUKCVQVPWIHNDE-NWDGAFQWSA-N 226.270 2.647 0 40 BFAB COC(=O)c1cccc(Cn2cccc2C)c1 226032344 RBTNTAKPCJUSPC-UHFFFAOYSA-N 229.279 2.631 0 40 BFAB Cc1csc(=Nc2ccccc2)n1C 253978773 DHCNMNPNNXRRBJ-UHFFFAOYSA-N 204.298 2.627 0 40 BFAB COCC(=O)c1cc(Cl)cc(F)c1Cl 307682085 QSAZFBJGBQHOSU-UHFFFAOYSA-N 237.057 2.962 0 40 BFAB CC(C)(C)OC(=O)Cc1nc(C(F)F)cs1 575629038 IQARHFUPUOBFLT-UHFFFAOYSA-N 249.282 2.965 0 40 BFAB FC(F)(F)CNc1ncc(-c2ccoc2)cn1 1888916683 WWCUNUGGRUPLGS-UHFFFAOYSA-N 243.188 2.711 0 40 BFAB Cc1cccc(C)c1NC(=O)c1cnoc1C 384968 KGRKQAGMOYXQOU-UHFFFAOYSA-N 230.267 2.852 0 40 BFAB CC(C)Sc1n[nH]c(=S)c2[nH]cnc12 1691139 DZSCORRIRUYPCK-UHFFFAOYSA-N 226.330 2.516 0 40 BFAB O=C1N[C@@]2(c3ccccc3)CCCC[C@@H]2O1 1712355 HAISAGDXNSXABB-WCQYABFASA-N 217.268 2.564 0 40 BFAB CN[C@@H](c1ccccc1)[C@@H](O)c1ccccc1 1718672 BLDFSDCBQJUWFG-GJZGRUSLSA-N 227.307 2.681 0 40 BFAB Fc1ccc(NC(=S)S)c(F)c1F 3131328 JLPBGGINCRCIRO-UHFFFAOYSA-N 223.244 2.731 0 40 BFAB Cc1ccc(C)c(CN2CCC[C@H](C(=O)O)C2)c1 3749230 IMCTXRPTEAQXML-ZDUSSCGKSA-N 247.338 2.600 0 40 BFAB O[C@@H]1OC2(CCCCC2)Cc2ccccc21 3848003 PWDBZPQTBQPPQZ-CYBMUJFWSA-N 218.296 2.953 0 40 BFAB biogenic Clc1ncn(C23CC4CC(CC(C4)C2)C3)n1 4257590 XVZCJDUIUBSIKJ-UHFFFAOYSA-N 237.734 2.857 0 40 BFAB CC[C@@H](C)n1nc(O)c2c(C)cc(C)nc21 4416006 BBGUJTVOVKTZKP-SECBINFHSA-N 219.288 2.725 0 40 BFAB CC(C)C(=O)Nc1nc(-c2ccncc2)cs1 6830359 BMZMUXRCWKXNEA-UHFFFAOYSA-N 247.323 2.800 0 40 BFAB c1ccc2c(c1)oc1c(-n3ccnc3)ncnc12 9338089 IHNRZBZZHUQTOZ-UHFFFAOYSA-N 236.234 2.562 0 40 BFAB N[C@@H](CCO)c1cccc(Oc2ccccc2)c1 12650443 OYWAHXNHRLBPHL-HNNXBMFYSA-N 243.306 2.861 0 40 BFAB O=C1Nc2ccc(-c3cccc(F)c3)cc2C1=O 16946239 LFPRHWJNUNEDOP-UHFFFAOYSA-N 241.221 2.628 0 40 BFAB CO[C@H](C(=O)N1CCC(C)CC1)c1ccccc1 20238575 DEIWSWWGFBGSCO-AWEZNQCLSA-N 247.338 2.633 0 40 BFAB C[C@@H](N)[C@H]1C[C@@H]1c1ccccc1Br 20594420 JJRCPHOYTSNRQT-SZEHBUNVSA-N 240.144 2.900 0 40 BFAB O=C(c1ccsc1)N1CCCCCC1 32731151 FBCCISMTQSDURX-UHFFFAOYSA-N 209.314 2.764 0 40 BFAB O=C(Nc1ccccc1O)[C@H]1CC=CCC1 32855792 OSTMTZXHRGKTJP-JTQLQIEISA-N 217.268 2.687 0 40 BFAB Cc1ccc(Oc2ccc(C(=O)O)nc2)cc1 33866526 MEZPFPIEWBDABE-UHFFFAOYSA-N 229.235 2.881 0 40 BFAB in-vitro CSc1nc(C(C)=O)cc2c1CCCC2 38997648 GVUDWUFDPRDPFA-UHFFFAOYSA-N 221.325 2.885 0 40 BFAB Cc1ccc(Nc2ncnc3[nH]ncc23)cc1F 41121196 JQNHKIUOPBLPTA-UHFFFAOYSA-N 243.245 2.544 0 40 BFAB CC[C@H](C)C(=O)N[C@@H](C)CCc1ccco1 41975738 VSSCUFZFKBMHMI-QWRGUYRKSA-N 223.316 2.763 0 40 BFAB Cc1ccsc1CN(C)C(=O)NCC1CC1 43635424 KCUOOPGLXJQRRG-UHFFFAOYSA-N 238.356 2.608 0 40 BFAB FC(F)(F)Oc1ccc(C[C@H]2CCCN2)cc1 70318471 RMHSIPKVGRBGHW-SNVBAGLBSA-N 245.244 2.880 0 40 BFAB COc1cc(Cl)c(C=O)cc1Cl 71509221 JUFGYSCJWDURGZ-UHFFFAOYSA-N 205.040 2.815 0 40 BFAB in-vitro c1cc([C@@H]2CCCN2C2CCCCC2)n[nH]1 72348434 ULNDKEKWOUVJLM-ZDUSSCGKSA-N 219.332 2.879 0 40 BFAB O[C@@H](c1ccccn1)c1ccc(Cl)s1 84193681 JDNVHFOZBVHCEZ-JTQLQIEISA-N 225.700 2.878 0 40 BFAB c1ccc([C@@H]2CN[C@@H]3CCCC[C@@H]32)cc1 95883909 UWANJFHETVWHSC-HZSPNIEDSA-N 201.313 2.932 0 40 BFAB in-vitro NCCCCSC(F)(F)C(F)(F)F 95918292 ZZYAPHCJOKIDJO-UHFFFAOYSA-N 223.210 2.614 0 40 BFAB C[C@@H](NC(=O)c1cccnc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 100842678 NTMANIMIVFSVIN-BYNQJWBRSA-N 244.338 2.636 0 40 BFAB S=C(NC1CCCC1)N[C@H]1C[C@@H]2CC[C@@H]1C2 101853118 WXJSSYZPESMJNR-FOGDFJRCSA-N 238.400 2.582 0 40 BFAB Cc1occc1Sc1nccn(C2CC2)c1=O 133042324 LTJKPPKXUTYCRB-UHFFFAOYSA-N 248.307 2.631 0 40 BFAB CCOC(=O)[C@H](CC)SCc1cccnc1 194543626 MUVJHGBETUZUPR-NSHDSACASA-N 239.340 2.657 0 40 BFAB CCc1ccc(N2CCN[C@H]3CCCC[C@H]32)cc1 218834571 HZECFFBNOMNDNS-JKSUJKDBSA-N 244.382 2.970 0 40 BFAB O=C(O)c1ccc(CC2CCCCC2)[nH]1 220025636 HOEROKLYZGZSEP-UHFFFAOYSA-N 207.273 2.836 0 40 BFAB CC1(C)c2ccccc2N2CCC(O)=N[C@]21C 5261067 ASXASADEFMUYPU-CQSZACIVSA-N 230.311 2.861 0 40 BFAB biogenic CC(=O)Nc1ccc([C@H](O)c2ccccc2)cc1 5431721 RURCXGTZFRIOIO-OAHLLOKOSA-N 241.290 2.727 0 40 BFAB C[C@@H]1CCCCN1C(=O)/C=C/c1ccco1 6249952 ZGUZPTGJKCGZIJ-WSKFYRRCSA-N 219.284 2.694 0 40 BFAB Cc1[nH]c2ccc(C(=O)NC(C)C)cc2c1C 7007363 VTDYLUOBKDKZIZ-UHFFFAOYSA-N 230.311 2.923 0 40 BFAB C[C@H](NC(=O)[C@@H]1C[C@H]1C)c1cccc(F)c1 12905673 YCVOXSYSUKLHSK-VDDIYKPWSA-N 221.275 2.659 0 40 BFAB Oc1c(-c2ccccc2)nc2ccccn12 13211973 FCKZRAMORFDBDE-UHFFFAOYSA-N 210.236 2.707 0 40 BFAB biogenic O=Cc1cc2c(cc1OCC1CC1)CCC2 19735467 GTWSPXIGPMJARK-UHFFFAOYSA-N 216.280 2.777 0 40 BFAB C[C@H](NC(=O)c1cccnc1)c1ccc(F)cc1 23488979 AHBOZHZHKHFKPU-JTQLQIEISA-N 244.269 2.712 0 40 BFAB O=C(O)c1ccc2nc(C(F)(F)F)oc2c1 33420206 FNGMUVHYSMEONK-UHFFFAOYSA-N 231.129 2.545 0 40 BFAB CCN(CC)C(=O)c1ccccc1SC 33710708 FHOJOSIBCXQIPE-UHFFFAOYSA-N 223.341 2.891 0 40 BFAB Cc1cc(C)c(C(C)(C)CCO)c(O)c1 34347796 ZVXWXORBQGXYPQ-UHFFFAOYSA-N 208.301 2.669 0 40 BFAB O=C1CCCC[C@H]1OCc1ccccc1 34622704 DAAFSJHSNQOYMU-CYBMUJFWSA-N 204.269 2.715 0 40 BFAB in-vitro Cc1nc(-c2cc(C(=O)O)cs2)cs1 36379882 TWXUVNYVLSBNHK-UHFFFAOYSA-N 225.294 2.878 0 40 BFAB in-vitro CC(C)(C)NC(=O)N1CC[C@@H](c2ccccc2)C1 38567318 HUNQOWRGKJQJLF-CYBMUJFWSA-N 246.354 2.984 0 40 BFAB CC(C)(C)CNC(=O)c1ccccc1F 40494836 PWTXJMSBEGPALG-UHFFFAOYSA-N 209.264 2.602 0 40 BFAB COc1ccc(C(=O)c2ccco2)c(OC)c1 41258480 MVAJKOGASKJFHB-UHFFFAOYSA-N 232.235 2.528 0 40 BFAB CSCC(=O)Nc1cccc(Cl)c1 42163200 COISGIISLYOHPR-UHFFFAOYSA-N 215.705 2.642 0 40 BFAB Cc1cc(C)c(O[C@H]2CCNC2)c(Cl)c1 42774972 TZJBRXZXGIMAQA-JTQLQIEISA-N 225.719 2.698 0 40 BFAB CC/C=C(\C)C(=O)NCCc1cccc(OC)c1 48301450 YHOIXYZAUACSNA-WUXMJOGZSA-N 247.338 2.710 0 40 BFAB COc1ccccc1[C@H](C)NC(=O)[C@@H]1C[C@H]1C 48390880 TXWFSBOJKQKTNF-JFGNBEQYSA-N 233.311 2.528 0 40 BFAB C[C@@H]1C[C@H]1c1ccc(CN(CCCO)C2CC2)o1 51183315 BZHQNDUQWFNPDE-BXUZGUMPSA-N 249.354 2.750 0 40 BFAB NC[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 54586851 HMVDYILQOBDJFR-WPRPVWTQSA-N 215.218 2.768 0 40 BFAB O=C(O)C[C@@H](Nc1ccccn1)c1ccccc1 70641670 BMERVCBNHVDTAS-GFCCVEGCSA-N 242.278 2.710 0 40 BFAB in-vitro CC(C)c1ccc(C2=NO[C@@](C)(C(=O)O)C2)cc1 71981044 JWIJDOGMNYECGT-CQSZACIVSA-N 247.294 2.778 0 40 BFAB CNc1ncc([C@@H](O)c2ccccc2)cc1C 72222022 VBWZCBXFDQTDRU-ZDUSSCGKSA-N 228.295 2.513 0 40 BFAB COc1ccc(CNc2ccc(C)cn2)cc1O 78564654 FVXRSDBVBLUNDL-UHFFFAOYSA-N 244.294 2.716 0 40 BFAB CCCOc1cc(F)ccc1NCc1ncc[nH]1 84756802 IZGGTSLDWGKUDX-UHFFFAOYSA-N 249.289 2.950 0 40 BFAB CC(=O)N(CC1CCC1)c1ccccc1 89930353 LRXFOKZNXPTOTM-UHFFFAOYSA-N 203.285 2.840 0 40 BFAB COc1ccc2c(C(=O)O)csc2c1 95803779 ZHTNKGUDSUGTBY-UHFFFAOYSA-N 208.238 2.608 0 40 BFAB in-vitro Cc1csc(SC2C[C@@H]3CC[C@H](C2)N3)n1 95908608 DIEKYLHMHFMKML-ULKQDVFKSA-N 240.397 2.827 0 40 BFAB Cc1cc(CNC(=O)Cc2ccsc2)c(C)o1 96120543 HKCQNQLZHWTPIF-UHFFFAOYSA-N 249.335 2.817 0 40 BFAB c1csc(-c2nccn2C[C@@H]2CCOC2)c1 96494603 CWRFRIXNQMISOP-JTQLQIEISA-N 234.324 2.648 0 40 BFAB CC[C@@H](O)Cc1cc(F)cc(Cl)c1 96543489 NGHXNXZTRYCBHG-SNVBAGLBSA-N 202.656 2.793 0 40 BFAB C[C@H](C[C@@H]1CCCO1)N[C@H](C)c1ccco1 108459450 KNXQBDBJRRLPMW-UTUOFQBUSA-N 223.316 2.888 0 40 BFAB N[C@@H]1C[C@@H]1c1ccc(-c2cccc(O)c2)cc1 114026924 DSOJSZXQRJGBCW-HUUCEWRRSA-N 225.291 2.874 0 40 BFAB CCc1ccc(CN2CCCSCC2)o1 195561867 NUDHIJYYJVECJP-UHFFFAOYSA-N 225.357 2.781 0 40 BFAB CNCc1c(C)n(C(C)C)c2ccc(O)cc12 223758188 GNBOLDIMGPZEAS-UHFFFAOYSA-N 232.327 2.956 0 40 BFAB O=C(NCCSC1CCCCC1)C1CC1 225382788 XCOQRFIDGGARHO-UHFFFAOYSA-N 227.373 2.579 0 40 BFAB CC[C@H](C)NC(=O)CSCC(C)(C)C 225640623 RBCOTXLQAMXQIT-VIFPVBQESA-N 217.378 2.680 0 40 BFAB Nc1cc2c(-c3ccccc3)ccnc2[nH]1 228972645 GSASOJBUDFZEGF-UHFFFAOYSA-N 209.252 2.812 0 40 BFAB CCn1nc(C(F)F)c(Br)c1C 408716107 IXZVDLGTDVGORX-UHFFFAOYSA-N 239.063 2.912 0 40 BFAB CC1=CC(C)(C)N2C(=O)[C@@H](O)c3c(C)ccc1c32 2033970148 DSEXSSOMKSOIGN-ZDUSSCGKSA-N 243.306 2.571 0 40 BFAB CSc1nnc(-c2ccc(C)cc2)n1C 331763 OJESHGGRADIJFS-UHFFFAOYSA-N 219.313 2.512 0 40 BFAB O=Cc1ccc2nc(-c3ccccc3)cn2c1 1386268 JYUHCJZXAIVQBD-UHFFFAOYSA-N 222.247 2.814 0 40 BFAB Nc1nc(Cl)cc(Sc2ccccc2)n1 1398029 KWDQLMWAIZBFND-UHFFFAOYSA-N 237.715 2.863 0 40 BFAB O=C(O)CC1(Br)CCCCC1 1621884 FKDBZCWTONABGA-UHFFFAOYSA-N 221.094 2.559 0 40 BFAB CCSc1nc(Cl)cc(Cl)n1 1730445 HXYSCNATUVDRMT-UHFFFAOYSA-N 209.101 2.895 0 40 BFAB CCCCNP(=O)(OCC)OCC 1731276 UDSUHZQWVMJAEY-UHFFFAOYSA-N 209.226 2.557 0 40 BFAB Cc1ccc(Br)c2c1CCC2=O 1758091 BYDNWFNQAPDJEO-UHFFFAOYSA-N 225.085 2.886 0 40 BFAB in-vitro Cc1cc(C)cc(CN2CCC[C@@H](C(=O)O)C2)c1 3749658 NMUYNXTWYHTYTB-CQSZACIVSA-N 247.338 2.600 0 40 BFAB Nc1cc2nc3c(cc2cc1C=O)CCCC3 3845117 IKQFZGLTDORKKS-UHFFFAOYSA-N 226.279 2.508 0 40 BFAB biogenic NCc1c(-n2cccc2)cccc1-n1cccc1 4054860 NFHJCARYXFHSMS-UHFFFAOYSA-N 237.306 2.727 0 40 BFAB F[C@H](C(F)(F)F)C(F)(F)[C@H]1CCCO1 4348169 LUFBQXOWLQEASN-UHNVWZDZSA-N 222.128 2.701 0 40 BFAB in-vitro Cc1cc([C@H](CN)c2ccccc2)ccc1N 5930745 XUWDIQKHYVPULO-CQSZACIVSA-N 226.323 2.668 0 40 BFAB Cc1cnc(SCc2ccccc2)nc1O 8616643 ORYTUXYMKSPQSW-UHFFFAOYSA-N 232.308 2.783 0 40 BFAB CC(C)CC(=O)Nc1ccc(Cl)cc1N 8732409 VFKVSIPGIWNXRW-UHFFFAOYSA-N 226.707 2.907 0 40 BFAB CC(C)Oc1ccc(-c2nnco2)cc1 12938464 FRFXAXHPBNJTGM-UHFFFAOYSA-N 204.229 2.524 0 40 BFAB CCCOc1ccc(/C=C\[N+](=O)[O-])cc1 17315302 VKWWKOVGOMKAOT-FPLPWBNLSA-N 207.229 2.723 0 40 BFAB C/C=C/C=C\C(=O)N(C)c1ccccc1 17380364 GKONHAANAMPQJK-TZOXPPMKSA-N 201.269 2.782 0 40 BFAB NC(=O)Nc1ccccc1Oc1ccccc1 19390276 LRKNHSZSXFGSQF-UHFFFAOYSA-N 228.251 2.970 0 40 BFAB in-vitro COC(=O)C[C@H](N)c1ccc(C(C)(C)C)cc1 19784030 NEZVKALLWWCNSX-LBPRGKRZSA-N 235.327 2.547 0 40 BFAB in-vitro CCn1c(Cl)nnc1-c1ccccc1 19821670 DAAHNZXCOMYAHW-UHFFFAOYSA-N 207.664 2.618 0 40 BFAB in-vitro C[C@H]1CCCC[C@H]1Nc1cccc(C(N)=O)c1 20124824 YGGLFJUQOBHHRE-GXFFZTMASA-N 232.327 2.776 0 40 BFAB Cc1cc(OCc2cccnc2)ccc1N 22150561 PPNVUWJBLFGBGK-UHFFFAOYSA-N 214.268 2.551 0 40 BFAB CN(Cc1cccc(F)c1)C(=O)c1ccco1 33000190 NHVSDZASRUCGLK-UHFFFAOYSA-N 233.242 2.691 0 40 BFAB CN(C)C(=O)C1(c2ccccc2)CCCC1 33879033 PUAPQMGDNJNOLF-UHFFFAOYSA-N 217.312 2.587 0 40 BFAB Nc1cc(C(=O)O)ccc1Nc1ccc(F)cc1 37930520 ADOKHVSGGMUDMB-UHFFFAOYSA-N 246.241 2.850 0 40 BFAB Cc1n[nH]c(N)c1-c1ccc(C(F)(F)F)cc1 38478134 QSCFARQGPFPLJV-UHFFFAOYSA-N 241.216 2.986 0 40 BFAB Fc1ccccc1NCc1cscn1 40420093 NFNJBEZWCWCGAS-UHFFFAOYSA-N 208.261 2.894 0 40 BFAB CCN(C(=O)[C@H]1C[C@H]1C)c1ccccc1 40461137 PRCBUJIYNLCWPF-PWSUYJOCSA-N 203.285 2.696 0 40 BFAB Cc1cc(Br)cnc1N1CCCC1 42783619 BZEGKJPCIKOKKL-UHFFFAOYSA-N 241.132 2.753 0 40 BFAB in-vitro c1ncn(-c2ccc(NCC3CCCC3)cc2)n1 50271931 HXYSPHBTBRMUMO-UHFFFAOYSA-N 242.326 2.869 0 40 BFAB Cc1cccc2c(/C=C/C(=O)O)ccnc12 72206428 XWWWXHNZGPNNRN-AATRIKPKSA-N 213.236 2.641 0 40 BFAB CCCCN1CCC[C@H]1c1cnc(N)c(C)c1 72218446 ORENZSQRQBVTFZ-ZDUSSCGKSA-N 233.359 2.909 0 40 BFAB CCCOc1ccc(-c2cnc(C(=O)O)o2)cc1 72219855 TZBNATROFSJGCL-UHFFFAOYSA-N 247.250 2.829 0 40 BFAB COc1ccc2[nH]c3c(c2c1)[C@H](N)CCC3 74113294 HEYWTQWSTLLUAF-SNVBAGLBSA-N 216.284 2.513 0 40 BFAB in-vitro CCc1ccc(C(C)(C)NCc2ncc[nH]2)cc1 83477796 BKLJXFZCFKWELK-UHFFFAOYSA-N 243.354 2.997 0 40 BFAB O[C@@]12CCCC[C@@H]1CN(C1CCCC1)CC2 88023500 FFLLZCPRCRLSAY-TZMCWYRMSA-N 223.360 2.556 0 40 BFAB Cc1ccoc1[C@@H](C)NC[C@H](O)CC(C)C 90061975 FOFQWNZGXXGCLW-VXGBXAGGSA-N 225.332 2.646 0 40 BFAB COc1ccccc1Oc1ncc(C)cc1N 90691488 BFBRRVVDZGGION-UHFFFAOYSA-N 230.267 2.773 0 40 BFAB Cc1ccc(F)c(C=O)c1C(F)(F)F 91252085 CLGGHNMZJHOQOY-UHFFFAOYSA-N 206.138 2.965 0 40 BFAB Clc1cccc(COC[C@H]2CO2)c1Cl 95096148 PZVRBSYNKUCKKV-QMMMGPOBSA-N 233.094 2.909 0 40 BFAB Cc1ccnc(N2CCCCCCC2)n1 95398893 ROWIHRKNRVEPFH-UHFFFAOYSA-N 205.305 2.556 0 40 BFAB CNC(=O)C1(c2cccs2)CCCCC1 95399329 CNGBZAPATUMOAC-UHFFFAOYSA-N 223.341 2.696 0 40 BFAB Oc1ccc2nc(N3CCCCC3)sc2c1 96025079 VSKVBDBBUYGNJF-UHFFFAOYSA-N 234.324 2.992 0 40 BFAB Cc1cc2ocnc2cc1Br 97463394 VUFARHHQOUZUIQ-UHFFFAOYSA-N 212.046 2.899 0 40 BFAB Cc1cccc(N(C)C(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)n1 102729178 OLRPNVQKOBNAPU-RWMBFGLXSA-N 242.322 2.565 0 40 BFAB Cc1cnccc1NC(=O)Nc1ccc(O)cc1 190173553 SUJIKVCAUJHUDS-UHFFFAOYSA-N 243.266 2.740 0 40 BFAB CC(C)[C@H]1C[C@H](C(=O)O)c2ccccc2N1 217548691 CYALGXBDAAHLKY-CMPLNLGQSA-N 219.284 2.695 0 40 BFAB CCOc1ccccc1N[C@H]1CCCC[C@H]1N 218862323 ICGJAWFCWRXMLP-NEPJUHHUSA-N 234.343 2.767 0 40 BFAB Cc1cc(NCCN)c2ccc(C)c(C)c2n1 222684739 HUFSHTHHPHCKGG-UHFFFAOYSA-N 229.327 2.531 0 40 BFAB CNCc1cccn1-c1cc(C)cc(C)c1 223682575 RULGRNPPRRXDML-UHFFFAOYSA-N 214.312 2.814 0 40 BFAB CC[C@@H](C(=O)O)N(CC)c1c(C)cccc1C 224983448 SNINIKHOZKWTEM-LBPRGKRZSA-N 235.327 2.993 0 40 BFAB Cc1ccc2nc(-c3ccc[n+](C)c3)oc2c1 226774672 AKIBZLVIRPQLFI-UHFFFAOYSA-N 225.271 2.628 0 40 BFAB CCn1nc(C2CC2)c2cnc(Cl)cc21 642882005 RYMMEBQLAJYLHC-UHFFFAOYSA-N 221.691 2.982 0 40 BFAB CC(C)Cc1c(O)nc2cc(F)ccc2c1O 685936943 DCRUSOTVJXGBME-UHFFFAOYSA-N 235.258 2.984 0 40 BFAB CCC(=O)Nc1ccccc1OC(F)(F)F 287171 TVNOXKRDZYMZJR-UHFFFAOYSA-N 233.189 2.934 0 40 BFAB CCC(CC)NCc1cc(OC)ccc1OC 2734180 LDUMHLGPZKGQMC-UHFFFAOYSA-N 237.343 2.982 0 40 BFAB Fc1ccc(-c2ccnc3ccnn23)cc1 2787694 AVGCEMDXHKWPEL-UHFFFAOYSA-N 213.215 2.535 0 40 BFAB COC(=O)Nc1nnc(-c2cccc(C)c2)s1 3032737 FYXCOKUEIHOASF-UHFFFAOYSA-N 249.295 2.692 0 40 BFAB CC[C@@H](O)[C@@H](C[C@@H](C)N(C)C)c1ccccc1 4692417 KSDALSCOLZNRQY-VHDGCEQUSA-N 235.371 2.881 0 40 BFAB CC(C)(CCC(=O)c1ccccc1)C(=O)O 5064398 GFSBTKQESZRYHB-UHFFFAOYSA-N 220.268 2.760 0 40 BFAB CSc1ccc(C)cc1/C=C\C(=O)O 17423411 FSWNKLJXNQZVTK-XQRVVYSFSA-N 208.282 2.815 0 40 BFAB CC1=C[C@@H](C)[C@H](C2N3CCCN2CC3)[C@H](C)C1 19325825 HFPVWFVWBIWBRP-MCIONIFRSA-N 234.387 2.572 0 40 BFAB N=C(N)c1ccc(OCc2ccccc2)cc1 19507848 GTNUPEIKYOGSTM-UHFFFAOYSA-N 226.279 2.550 0 40 BFAB Nc1cc(F)ccc1NCc1ccco1 20135500 NSXIFQCNULGIRK-UHFFFAOYSA-N 206.220 2.613 0 40 BFAB Nc1ccc(C(=O)Nc2ccccn2)c(Cl)c1 20221026 UCFVJVFQPUHUNF-UHFFFAOYSA-N 247.685 2.570 0 40 BFAB Cc1cccc(-c2nc(C(C)C)no2)c1N 21512112 SVEYVRHGDODIAY-UHFFFAOYSA-N 217.272 2.751 0 40 BFAB CNc1nc(C)nc2sc(C)c(C)c12 28162159 FHHWAULNQAIQPS-UHFFFAOYSA-N 207.302 2.658 0 40 BFAB C[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccco1 32787721 VYXBJTIVSBVZOH-QWRGUYRKSA-N 221.300 2.930 0 40 BFAB Cc1ccc(C(=O)N(C)Cc2ccsc2)n1C 32836859 UHPMLRFIZVROKM-UHFFFAOYSA-N 248.351 2.667 0 40 BFAB Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cn1 32903801 KHAILMGSZQWCER-GHMZBOCLSA-N 232.327 2.508 0 40 BFAB COC(=O)CCCCCCCC[C@@H](F)CO 34591795 ODBPCJAZFMVBOY-LLVKDONJSA-N 234.311 2.611 0 40 BFAB Nc1cnn(-c2ccc(Cl)cc2Cl)c1 35728313 DFASVFRYOKAYQB-UHFFFAOYSA-N 228.082 2.761 0 40 BFAB in-vitro Cc1cc(F)ccc1-c1ccc(CO)o1 37715683 ISPDHVVJBNOUSU-UHFFFAOYSA-N 206.216 2.886 0 40 BFAB O=C(O)c1c(-c2ccccc2)noc1C1CC1 39956291 AYTSCQOWGJBLDX-UHFFFAOYSA-N 229.235 2.917 0 40 BFAB Cc1ccc([C@@H](O)c2ccco2)c(C)c1 40245975 LBCKJGMWYZLKJB-CYBMUJFWSA-N 202.253 2.978 0 40 BFAB Cc1cccc(COCCC2CCNCC2)c1 42771923 FCCYOBXCQZGWAN-UHFFFAOYSA-N 233.355 2.901 0 40 BFAB NCc1cc(Oc2ccc(Cl)cc2)ccn1 51547357 DAYYJLJSQCXKOH-UHFFFAOYSA-N 234.686 2.986 0 40 BFAB C1CN(CC23CC4CC(CC(C4)C2)C3)CCO1 57053989 LSLDVDYVICYINH-UHFFFAOYSA-N 235.371 2.535 0 40 BFAB CCC(=O)NCCc1c[nH]c2cc(C)ccc12 58225997 IJSHZSSQVIAKJD-UHFFFAOYSA-N 230.311 2.545 0 40 BFAB CCN(CC)c1ccc([C@@H]2C[C@H]2C(=O)O)cc1 62494905 NJIHMBLXLQEENL-QWHCGFSZSA-N 233.311 2.721 0 40 BFAB Cc1ccc(C(=O)[C@@H](N)Cc2ccccc2)cc1 75951843 DWEDFFZYMKPHRS-HNNXBMFYSA-N 239.318 2.748 0 40 BFAB CN(C)c1ncccc1N(C)C(=O)CC(C)(C)C 79725724 FKWMAKIYCJDFOH-UHFFFAOYSA-N 249.358 2.547 0 40 BFAB CNCc1cccn1Cc1ccccc1Cl 85582950 YWHBMGFAWBHEIF-UHFFFAOYSA-N 234.730 2.909 0 40 BFAB CC(C)Oc1cccc([C@H](O)c2cccn2C)c1 95727894 WIABYOGFJCXZLG-HNNXBMFYSA-N 245.322 2.894 0 40 BFAB COc1ccc(F)cc1[C@@](C)(O)C(C)C 95739230 HJCFXHKXKALVTB-LBPRGKRZSA-N 212.264 2.698 0 40 BFAB CCc1[nH]c2ncc(Cl)cc2c1C=O 95937226 UBBLTFZNWDCCRC-UHFFFAOYSA-N 208.648 2.591 0 40 BFAB C[C@@H]1CC[C@@H]1COc1ccc(C=O)cc1 96526405 YAYZWVXAUIEBFM-ZYHUDNBSSA-N 204.269 2.924 0 40 BFAB O=C(N[C@H]1CC[C@@H](F)C1)OCc1ccccc1 98089966 NDVBOSIQTJVVNB-NEPJUHHUSA-N 237.274 2.803 0 40 BFAB COC(=O)c1cccn1-c1ccccc1Cl 223726831 QXWXVYFGFIELRV-UHFFFAOYSA-N 235.670 2.917 0 40 BFAB CC[C@@H](C(=O)O)N(CC)c1ccc(F)cc1 224987094 OHLPQXXREIWPGI-NSHDSACASA-N 225.263 2.515 0 40 BFAB C[C@H](C(=O)O)N(C)c1ccc(Cl)c(Cl)c1 224994741 BPWBVWSTJFMXPJ-ZCFIWIBFSA-N 248.109 2.903 0 40 BFAB CC(C)(c1cccc(C(=O)O)n1)C(F)(F)F 256049860 BTTKQQNWQQMXBY-UHFFFAOYSA-N 233.189 2.620 0 40 BFAB CC(=O)[C@@H](C)SCCC(F)(F)F 336634754 YHSCLDVNNHUXLD-ZCFIWIBFSA-N 200.225 2.650 0 40 BFAB Cc1ccc(-c2nc(CO)c(C)o2)s1 409424112 XQBDROJXDOJUEE-UHFFFAOYSA-N 209.270 2.512 0 40 BFAB CCc1nc(-c2cnc3ccccc3c2)no1 544904770 UELATPKNFMWHAO-UHFFFAOYSA-N 225.251 2.847 0 40 BFAB Cc1ccnc(OC2CCC(F)(F)CC2)n1 585650823 FXRKDLWERTXBRH-UHFFFAOYSA-N 228.242 2.742 0 40 BFAB O=C1CCC[C@]12CCCN2Cc1ccccc1 1690170131 WIXKZOWBPOFNFE-HNNXBMFYSA-N 229.323 2.774 0 40 BFAB O=C(O)c1ccccc1C(=O)Oc1ccccc1 55133 MXOGJBKTZBIWOT-UHFFFAOYSA-N 242.230 2.604 0 40 BFAB in-vitro CC(C)C(=O)Nc1nnc(CC(C)(C)C)s1 2789435 AXRPVMAALDZFOL-UHFFFAOYSA-N 241.360 2.721 0 40 BFAB CCOC[C@@H]1C(=O)[C@]2(C)CC[C@H]1C2(C)C 3845475 SMFWSVXVEULEDG-CWSCBRNRSA-N 210.317 2.664 0 40 BFAB CC[C@H](C)NCc1ccc(OC)c(OC)c1 5907915 LOJMAQUUOZIZOY-JTQLQIEISA-N 223.316 2.592 0 40 BFAB CC(C)NC(=O)c1ccc2c(c1)CCCC2 17300986 WCDGUIMXOUHTEK-UHFFFAOYSA-N 217.312 2.704 0 40 BFAB Cc1ccccc1NC(=O)c1ccc(CN)cc1 19270976 ZOCODFFDJPIJIJ-UHFFFAOYSA-N 240.306 2.706 0 40 BFAB c1ccc2c(CCN3CCSC3)c[nH]c2c1 19702867 POFUSRPBEHOJMD-UHFFFAOYSA-N 232.352 2.717 0 40 BFAB biogenic O=C(CNc1ccccc1)Nc1cccc(F)c1 20035856 JIYZCUWUWVGRFW-UHFFFAOYSA-N 244.269 2.876 0 40 BFAB CCOC(=O)CNc1cccc2ccccc12 20039309 GYKRDEBTTIDYEQ-UHFFFAOYSA-N 229.279 2.815 0 40 BFAB Cc1ccc(NC(=O)c2ccoc2)c(O)c1 21900391 RJANIOHHYQPDMT-UHFFFAOYSA-N 217.224 2.546 0 40 BFAB Cc1ccc(CC(=O)N2CCCCC2)cc1C 26114340 CFCAWCDSGUTJBR-UHFFFAOYSA-N 231.339 2.858 0 40 BFAB CSc1ccccc1-c1cc(C(N)=O)ccn1 32578126 MNCYJASFAOABEA-UHFFFAOYSA-N 244.319 2.569 0 40 BFAB Cc1ccc(CN(C)C(=O)[C@H]2C[C@@H]2C)c(C)c1 32748067 ARDGEESIKJTUTN-JSGCOSHPSA-N 231.339 2.918 0 40 BFAB COc1nc(Cl)ccc1C(F)(F)F 34464362 CPTWVHKBCFTLOI-UHFFFAOYSA-N 211.570 2.762 0 40 BFAB COc1ccc(C(=O)C2CCC2)cc1F 35424030 GIXQGEMHKOWSOQ-UHFFFAOYSA-N 208.232 2.817 0 40 BFAB CCn1cc(NC[C@H]2CC=CCC2)cn1 35780146 MWXPQARPQFKTIO-NSHDSACASA-N 205.305 2.671 0 40 BFAB Cc1cc(C)c(OC[C@H]2CCNC2)c(Cl)c1 42770741 BLVLPQQCZLZDCB-NSHDSACASA-N 239.746 2.945 0 40 BFAB CCOC(=O)CCCC(=O)c1sccc1C 43214427 LVVNIYBDJUCUDK-UHFFFAOYSA-N 240.324 2.973 0 40 BFAB Brc1cc(N2CCCCC2)ccn1 44118694 JUBKIYANWALRTG-UHFFFAOYSA-N 241.132 2.834 0 40 BFAB Nc1cncc(-c2ccc(C(F)(F)F)cc2)n1 44120118 MDUPHOABUVMRGM-UHFFFAOYSA-N 239.200 2.745 0 40 BFAB COC[C@@H](C)Nc1cccc(Br)c1 53172261 UPDADHRBLJXYGN-MRVPVSSYSA-N 244.132 2.896 0 40 BFAB Cc1nnc(CN2CCC[C@@H]2c2ccccc2)o1 54886574 RNWSEIWBUSQSKL-CYBMUJFWSA-N 243.310 2.715 0 40 BFAB Oc1[nH]c(=S)nc2c1oc1ccccc12 57352015 GTUFXGNJQNZRBS-UHFFFAOYSA-N 218.237 2.744 0 40 BFAB CCSc1ncc(CNCCC(C)C)cn1 62717328 XUKQRYHZQJEDOI-UHFFFAOYSA-N 239.388 2.724 0 40 BFAB N[C@@H]1C[C@H]1c1ccc(-c2ccccc2F)o1 70452933 MBQNDLPEUBCBCX-MWLCHTKSSA-N 217.243 2.900 0 40 BFAB Cc1cccc(CN2CCC[C@]3(CCNC3)C2)c1 72147873 ZHEYJQMEURTKRJ-MRXNPFEDSA-N 244.382 2.571 0 40 BFAB Nc1ccc(Br)cc1C1CC1 72193350 JANHLQKEEXWSCG-UHFFFAOYSA-N 212.090 2.909 0 40 BFAB Cc1cc(CN)cnc1Nc1ccccc1 72222271 JHVYXXWOWDBOPZ-UHFFFAOYSA-N 213.284 2.592 0 40 BFAB Cc1ccnc(C2CN(CC3CCCCC3)C2)n1 72381794 GGSULBCDWHJBGH-UHFFFAOYSA-N 245.370 2.765 0 40 BFAB Nc1c[nH]c2c(Br)cccc12 82373798 SQXBVECSSBKUPD-UHFFFAOYSA-N 211.062 2.513 0 40 BFAB Cc1ccccc1C1(CC(=O)O)CCC1 84367583 RJOWUEZFHAZSIK-UHFFFAOYSA-N 204.269 2.891 0 40 BFAB COC(=O)c1ccc(OC(C)C)cc1Cl 90411264 CFGMHCRYMSFFMR-UHFFFAOYSA-N 228.675 2.914 0 40 BFAB CO[C@@H](C)c1nc(-c2cn(C)nc2C)cs1 95964098 GPTHTLJFZVYHQF-QMMMGPOBSA-N 237.328 2.559 0 40 BFAB CC(C)[C@H]1CCCCN1C(=O)Nc1cccnn1 97103657 QMYLPJJBFAQZSW-LLVKDONJSA-N 248.330 2.519 0 40 BFAB Cc1ccc(C=O)c(F)c1C(F)(F)F 98210798 HNDVWWSHFNWJOM-UHFFFAOYSA-N 206.138 2.965 0 40 BFAB C[C@H]1C[C@@H]1C(=O)N(C)C1C2CC3CC(C2)CC1C3 124287548 WAHFAXNUZGJZTJ-GPIFJYJGSA-N 247.382 2.926 0 40 BFAB CCOC(=O)c1csc(C(F)F)c1 143853737 ZHHJKCZFRWRCPG-UHFFFAOYSA-N 206.213 2.862 0 40 BFAB CCN[C@@H](CC)c1cccc(OC)c1OC 147002087 GGSGZHSZKMZPPU-NSHDSACASA-N 223.316 2.764 0 40 BFAB c1cn(C[C@H]2CCCN2Cc2ccsc2)cn1 188418364 KRLZJSKLIKBEGL-CYBMUJFWSA-N 247.367 2.609 0 40 BFAB COc1cc(C(F)F)cc(OC)c1OC 217073151 RAKCWUONZAGFGM-UHFFFAOYSA-N 218.199 2.650 0 40 BFAB CC[C@H](C)n1nccc1CNc1c(C)cnn1C 256055127 ZHWALUXCAKRLAQ-NSHDSACASA-N 247.346 2.508 0 40 BFAB CC(=O)OC(C)(C)C(=O)c1cc(C)cc(F)c1 575357741 ZLGKRBYOTSVDGG-UHFFFAOYSA-N 238.258 2.659 0 40 BFAB CC(C)Cc1cc(O)nc2ccc(CCN)cc12 1888944487 VUUXKSYZELGFJH-UHFFFAOYSA-N 244.338 2.640 0 40 BFAB CC1=CC(C)(C)N2C(=O)[C@H](O)c3c(C)ccc1c32 2033970147 DSEXSSOMKSOIGN-CYBMUJFWSA-N 243.306 2.571 0 40 BFAB CCc1ccc(NC(C)=O)c(Br)c1 1556466 QRKZJEMLPQRKDS-UHFFFAOYSA-N 242.116 2.970 0 40 BFAB CN(C)c1ccc2c(Cl)ccnc2c1 1576542 RSILXKGPRQLNLJ-UHFFFAOYSA-N 206.676 2.954 0 40 BFAB in-vitro COc1ccc2cccc(C(=O)O)c2c1 1599880 IWXCQSJYXQESCP-UHFFFAOYSA-N 202.209 2.547 0 40 BFAB C[C@](O)(c1ccccc1)[C@@H](O)c1ccccc1 1720248 KVDNJQJZESZZST-GJZGRUSLSA-N 228.291 2.628 0 40 BFAB in-vitro Cc1cc(C)c(-c2cc(N)on2)c(C)c1 3704511 DTQJFDRRADSNSC-UHFFFAOYSA-N 202.257 2.849 0 40 BFAB C[C@H]1C[C@H](NC(=S)N(C)C)CC(C)(C)C1 6481460 SKCBGLHGCCBEEY-UWVGGRQHSA-N 228.405 2.637 0 40 BFAB O=C(Cc1ccccc1F)Nc1ccccc1O 8920011 HQSVAMPMVRVKLF-UHFFFAOYSA-N 245.253 2.713 0 40 BFAB Cc1ccc(O)c(C(=O)Nc2nc(C)cs2)c1 10554324 VUDFVZIDPVCRTO-UHFFFAOYSA-N 248.307 2.718 0 40 BFAB Fc1cccc2[nH]cc(C3CCNCC3)c12 13806182 DEIYMTQMNDLJHX-UHFFFAOYSA-N 218.275 2.774 0 40 BFAB CCN(CC)[C@H](C(=O)O)c1ccc(Cl)cc1 16844077 GDSYQHCEJCORIB-NSHDSACASA-N 241.718 2.808 0 40 BFAB CN(C)[C@H](CN)c1ccc(Cl)c(Cl)c1 19861956 WSDUPQJQYOYFPN-SNVBAGLBSA-N 233.142 2.555 0 40 BFAB Nc1ccc(F)c(NC(=O)c2ccsc2)c1 21965163 ZNLCCTOKPVCZTN-UHFFFAOYSA-N 236.271 2.722 0 40 BFAB CC(C)=CC(=O)NCCc1c[nH]c2ccccc12 22928700 WHINZRLOLUOGJO-UHFFFAOYSA-N 242.322 2.793 0 40 BFAB C[C@H]1CCCCN1C(=O)C[C@H]1C=CCC1 32747823 DFGIGHKLPCHAPB-RYUDHWBXSA-N 207.317 2.744 0 40 BFAB C[C@@H]1CC[C@H]([S@@](=O)c2ccccc2)C(=O)C1 34187453 IOEXQTWDEVPGTC-AKWBHNSASA-N 236.336 2.552 0 40 BFAB in-vitro COC(=O)c1cc(OCc2ccccc2)ns1 34607122 RBHDFBWBQHTBCR-UHFFFAOYSA-N 249.291 2.509 0 40 BFAB O=C(c1ccc2c(c1)OCO2)c1cccs1 34976763 ZEWFHGWCFOHQLO-UHFFFAOYSA-N 232.260 2.708 0 40 BFAB C[C@@H]1CCCN(Cc2cc(F)ccc2N)C1 35308379 SDSVZIDNZFKMQA-SNVBAGLBSA-N 222.307 2.640 0 40 BFAB CC(C)CCC[C@H](C)NC1CCOCC1 36304364 PCYABIQPSJWCRC-LBPRGKRZSA-N 213.365 2.970 0 40 BFAB Cc1nn(C)c2ncc(NCCC(C)C)cc12 37084726 UXXRNVDFSNVFAH-UHFFFAOYSA-N 232.331 2.735 0 40 BFAB CCOC(=O)c1nocc1-c1ccccc1 39648616 QXJAISFCHYMQPF-UHFFFAOYSA-N 217.224 2.518 0 40 BFAB Cc1ccccc1[C@@H]1CN(C(=O)C(C)C)CCO1 41395311 HZXKSVHWNHYORE-AWEZNQCLSA-N 247.338 2.551 0 40 BFAB O=C(O)CCCC(=O)c1ccc(Cl)cc1F 43214160 BDHWHYSJITXKRD-UHFFFAOYSA-N 244.649 2.917 0 40 BFAB c1cnc2c(CN3CCSCC3)cccc2c1 47918538 OFIORMJDTWVARY-UHFFFAOYSA-N 244.363 2.784 0 40 BFAB Nc1n[nH]cc1-c1ccc(Cl)c(Cl)c1 49821074 BOQZHSXHBMCGES-UHFFFAOYSA-N 228.082 2.966 0 40 BFAB CNC[C@H]1C[C@@H]1c1ccc(Br)cc1 54588602 KWWGPEVMZRIDED-MWLCHTKSSA-N 240.144 2.772 0 40 BFAB CCCC(=O)Nc1c(-c2ccccc2)ncn1C 58167376 ZWEPGJQYDCSJSP-UHFFFAOYSA-N 243.310 2.826 0 40 BFAB CCSc1nncn1-c1ccccc1C 58737406 AFENUBAFIKKQDF-UHFFFAOYSA-N 219.313 2.688 0 40 BFAB Cn1c(Cl)c(C=O)c2cc(F)ccc21 71465372 XOHSKVDLYZDCED-UHFFFAOYSA-N 211.623 2.783 0 40 BFAB CCN1CCCC[C@H]1c1cccnc1NC 72212553 UDRGQNJODISMJB-LBPRGKRZSA-N 219.332 2.670 0 40 BFAB CC(C)c1n[nH]c(C(=O)O)c1C1CCCC1 72220437 ILLOHDPGBATDJD-UHFFFAOYSA-N 222.288 2.889 0 40 BFAB CCc1ccc(N2CCC(C(=O)O)CC2)cc1 82547063 RIVCPNNWLKPMQZ-UHFFFAOYSA-N 233.311 2.550 0 40 BFAB COc1cccc(Nc2cccnc2)c1 82714520 VKUGWFYUSVTMKG-UHFFFAOYSA-N 200.241 2.834 0 40 BFAB Clc1cc2ccccc2c(N2CCOCC2)n1 82753502 IIQWLASQZORSAL-UHFFFAOYSA-N 248.713 2.725 0 40 BFAB COc1ccc(C(=O)C(F)(F)Cl)cc1F 95916929 WOWMYZFTLMIVTJ-UHFFFAOYSA-N 238.592 2.849 0 40 BFAB c1cncc(-c2nccn2CC2CCC2)c1 96009635 RIHLGORYHYSBTR-UHFFFAOYSA-N 213.284 2.745 0 40 BFAB CC(C)CCn1cc(Br)c(C=O)n1 96528854 BNVZEYGEGUMZSD-UHFFFAOYSA-N 245.120 2.504 0 40 BFAB CC(C)(C)c1csc(-c2cnccn2)n1 97059274 MTZVXICBGIFAIP-UHFFFAOYSA-N 219.313 2.898 0 40 BFAB N[C@H]1CC[C@H](NCc2ccc(Cl)cc2)CC1 100178662 TXBKFSNPSGKDIW-BETUJISGSA-N 238.762 2.700 0 40 BFAB CCCn1c2ccccc2n2c(SC)nnc12 111856070 NZOIDKFDXFYBDH-UHFFFAOYSA-N 246.339 2.816 0 40 BFAB O=C(O)c1ccc2c(Cl)nc(Cl)nc2c1 116698830 QGCXYNDYCOZFIT-UHFFFAOYSA-N 243.049 2.635 0 40 BFAB C[C@H](SCCC(C)(C)C)C(=O)NC1CC1 195573136 AKTVMJPEKDCWAP-VIFPVBQESA-N 229.389 2.823 0 40 BFAB CCc1ccc(N2CCN[C@@H]3CCCC[C@@H]32)cc1 225713452 HZECFFBNOMNDNS-CVEARBPZSA-N 244.382 2.970 0 40 BFAB Cc1ccnc(N(C)c2ccc3c(c2)OCO3)c1 228949562 VSRWNLMZGWQWPX-UHFFFAOYSA-N 242.278 2.887 0 40 BFAB Clc1cc2cncn2cc1Br 238557371 YTMUODCSULRGTO-UHFFFAOYSA-N 231.480 2.750 0 40 BFAB COC(=O)c1ccccc1C(=O)C1CCCC1 258081897 RMQBPZOWJLJDNR-UHFFFAOYSA-N 232.279 2.846 0 40 BFAB C[C@@H]1CN=C(Nc2ccc(F)cc2F)S1 86389 RKBGXRCEDPWMPG-ZCFIWIBFSA-N 228.267 2.868 0 40 BFAB COC1(OC)C2(Cl)CCC1(Cl)CC2 345414 FPGSNQSYIQVOCU-UHFFFAOYSA-N 225.115 2.518 0 40 BFAB COc1cc(/C=C/c2cccs2)oc(=O)c1 1563698 AHMATMGVWJGJGP-SNAWJCMRSA-N 234.276 2.880 0 40 BFAB CC[C@@H](C)NCCOC(=O)Nc1ccccc1 1710402 FUJZOHBZONWEIW-LLVKDONJSA-N 236.315 2.623 0 40 BFAB CC(C)[C@H](CC(=O)O)[C@H]1CCOC(C)(C)C1 4046694 BBWMQSIVQSDBJA-QWRGUYRKSA-N 228.332 2.939 0 40 BFAB biogenic CCCn1c2c(c(=N)c3c1CCC3)CCCC2 4187110 OBUPQLXMXQOBOC-UHFFFAOYSA-N 230.355 2.745 0 40 BFAB biogenic COc1ccc(-c2nc(N)sc2C)cc1F 4942661 UCQLOVVUGKHPEF-UHFFFAOYSA-N 238.287 2.848 0 40 BFAB Cc1ccc([C@@H](O)[C@H](N)c2ccccc2)cc1 5546297 CPTGAOPLCQIBTJ-HUUCEWRRSA-N 227.307 2.728 0 40 BFAB O=c1[nH]c(-c2cccc(F)c2)nc2ccccc12 5939834 SZXYHOIFTIWFNM-UHFFFAOYSA-N 240.237 2.729 0 40 BFAB CCNC(=S)Nc1cc(C)cc(C)c1 7529013 AVNCGDMKIREWHM-UHFFFAOYSA-N 208.330 2.610 0 40 BFAB CC(C)NC(=S)NCc1cccc(Cl)c1 7571309 ALOXYTLGSKSYPA-UHFFFAOYSA-N 242.775 2.713 0 40 BFAB N[C@H](CCc1ccco1)c1ccccc1 11606066 DODVEQPTBZDJSF-CYBMUJFWSA-N 201.269 2.912 0 40 BFAB S=c1[nH]nc(/C=C/c2cccs2)[nH]1 12505279 ZSJRVSLDYPQLLA-ONEGZZNKSA-N 209.299 2.699 0 40 BFAB in-vitro CCC(=O)N[C@@H]1CCSc2ccc(F)cc21 12853318 PGIIZWLKWYZXRB-SNVBAGLBSA-N 239.315 2.889 0 40 BFAB Cc1ccc(CC(=O)NC(C2CC2)C2CC2)cc1 12870224 MNPFARMBJYNOGG-UHFFFAOYSA-N 243.350 2.842 0 40 BFAB Cc1oc(-c2ccccc2)nc1C(=O)NC(C)C 12881083 UHEPHAZEFJBNBJ-UHFFFAOYSA-N 244.294 2.788 0 40 BFAB CC[C@H](C)C(=O)Nc1cccc(C(=O)OC)c1C 12985109 MUPXEVXBZKWLPH-VIFPVBQESA-N 249.310 2.766 0 40 BFAB NC(=S)Cc1ccc(Cl)cc1Cl 13658614 TVLNFSUEBAEIKJ-UHFFFAOYSA-N 220.124 2.822 0 40 BFAB COc1ccc(OC)c(NCc2cccnc2)c1 19910408 CPLOUMUUXCKUAB-UHFFFAOYSA-N 244.294 2.711 0 40 BFAB Cc1ccc(C(=O)NC2CCCCC2)cc1N 20194700 GJSKLRAPVQZSMW-UHFFFAOYSA-N 232.327 2.640 0 40 BFAB COc1cc(-c2ccc(Cl)cc2)[nH]n1 21364863 BRFWEJIYUWUMNB-UHFFFAOYSA-N 208.648 2.739 0 40 BFAB C[C@H]1C[C@H](Sc2ncccc2Cl)C(=O)O1 40493675 PXAPMOVMHCGKJK-XPUUQOCRSA-N 243.715 2.531 0 40 BFAB CCN(CC)c1ncc(Br)cc1C 42783620 OVTOMAVFTXIAJP-UHFFFAOYSA-N 243.148 2.999 0 40 BFAB C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC=CCC1 58313138 HVHNZKUDCBNHIA-CMPLNLGQSA-N 207.317 2.600 0 40 BFAB Cc1cc2nc(C3CCNCC3)oc2cc1C 62529936 YQMFXHQUILCSML-UHFFFAOYSA-N 230.311 2.912 0 40 BFAB COc1ccc(Cl)cc1N[C@H]1CCOC1 70963751 ZOOKVFZGWMUOTC-VIFPVBQESA-N 227.691 2.549 0 40 BFAB CC(=O)N1CCCC[C@@H]1c1cccnc1Cl 72211531 HMEUYAXOMPKCEQ-LLVKDONJSA-N 238.718 2.809 0 40 BFAB CCN1CCC[C@H]1c1ccc(OC)cc1 72221503 QJOLABOJHFCGJD-ZDUSSCGKSA-N 205.301 2.852 0 40 BFAB Cc1ccc(-n2nc3c(c2N)CCCC3)cc1 76500228 DMIIONIYJHMLJI-UHFFFAOYSA-N 227.311 2.642 0 40 BFAB in-vitro CNC(=O)Nc1ccc(OC2CCC2)c(F)c1 89391672 FBQGQEFBNFZFEH-UHFFFAOYSA-N 238.262 2.508 0 40 BFAB c1ccc(CCCN2CC[C@]3(CCOC3)C2)cc1 89830501 CQMXFHISFQXYSR-INIZCTEOSA-N 245.366 2.732 0 40 BFAB CSc1ccccc1C1([C@H](C)O)CC1 95739146 MOTZLLOPNQZURV-VIFPVBQESA-N 208.326 2.821 0 40 BFAB CC(=O)Cc1c(F)cccc1C(F)(F)F 95913016 NXUCSHRDUFDDFL-UHFFFAOYSA-N 220.165 2.976 0 40 BFAB c1ccc(OCc2noc(CC3CCC3)n2)cc1 96435858 PGIFUAUQDZZAMZ-UHFFFAOYSA-N 244.294 2.991 0 40 BFAB Cc1occc1SCCn1ccnc1 131371597 DHTSYHSXCULVIC-UHFFFAOYSA-N 208.286 2.577 0 40 BFAB Cc1cccc(SC(F)(F)CN)c1 131749932 JBXSDIKFVIRBGN-UHFFFAOYSA-N 203.257 2.639 0 40 BFAB CC1(C(=O)O)CCC2(CC1)SCCS2 217636040 ZKAXHSGSYLQEBY-UHFFFAOYSA-N 232.370 2.828 0 40 BFAB CCC(=O)NCCOc1ccc(C)c(Cl)c1 224190083 LLLYGLDGDUURKS-UHFFFAOYSA-N 241.718 2.553 0 40 BFAB COc1cccc2c(=O)n(CC(C)C)ccc12 335344862 VKHJXTVHSKPOMY-UHFFFAOYSA-N 231.295 2.666 0 40 BFAB Cc1cc(-c2ccccc2C)n([C@@H](C)CO)n1 634617820 YPLDCFUPZHANHA-LBPRGKRZSA-N 230.311 2.720 0 40 BFAB CC1(C)C[C@H](Nc2cncc(Cl)c2)CO1 691086907 FWDJVCRYFPAHIL-JTQLQIEISA-N 226.707 2.714 0 40 BFAB CC12C[C@@H]3C[C@H](C1)CC(O[N+](=O)[O-])(C3)C2 162413 CWLRKOZVJDLYMK-IXBNRNDTSA-N 211.261 2.554 0 40 BFAB Cc1ccc(C(=O)c2ccccn2)c(C)c1 330081 FYJSQABUSNKSOC-UHFFFAOYSA-N 211.264 2.929 0 40 BFAB c1ccc(-c2nccc(-c3ccco3)n2)nc1 1399310 OSXUISVSGSRUHX-UHFFFAOYSA-N 223.235 2.799 0 40 BFAB C[C@@H](CN(C)C)C(=O)c1cn(C)c2ccccc12 1670338 RWFPJKFBNPDMCR-NSHDSACASA-N 244.338 2.559 0 40 BFAB CC(C)Oc1nc2ccc(N)cc2s1 1686942 UFARFOGOSPBRJT-UHFFFAOYSA-N 208.286 2.666 0 40 BFAB CCc1ccc2[nH]cc(CN(C)C)c2c1 1703142 WRMXJWREAVYBQN-UHFFFAOYSA-N 202.301 2.792 0 40 BFAB in-vitro Cc1ccc(Cl)c2sc(NN)nc12 2455669 XAIZTSNQCCWIKE-UHFFFAOYSA-N 213.693 2.544 0 40 BFAB in-vitro Nc1c(C(=O)c2ccco2)oc2ccccc12 3282496 WUJHSEBHZVJTIN-UHFFFAOYSA-N 227.219 2.839 0 40 BFAB in-vitro C[C@H]1CCCCN1CC(=O)c1ccccc1F 3306793 LBWBSVPWFFGJEC-NSHDSACASA-N 235.302 2.883 0 40 BFAB CCOc1ccc2nc(N(C)C)sc2c1 5650971 AOKXEGLNJFYAGV-UHFFFAOYSA-N 222.313 2.761 0 40 BFAB C[C@@H](C(=O)O)c1ccc2cc(O)ccc2c1 6037131 XWJUDDGELKXYNO-MRVPVSSYSA-N 216.236 2.734 0 40 BFAB endogenous,world C(=C/c1ccccc1)\CNCc1ccncc1 8435916 WMOBOHQHCLEOGJ-QPJJXVBHSA-N 224.307 2.885 0 40 BFAB COc1ccc(COc2ccccc2N)cc1 9239538 MKSOKORSNCKAAE-UHFFFAOYSA-N 229.279 2.856 0 40 BFAB CC1=C[C@@H](C)[C@H](C2N3CCCN2CC3)[C@@H](C)C1 19325828 HFPVWFVWBIWBRP-RDBSUJKOSA-N 234.387 2.572 0 40 BFAB C1CCN(CCN2C[C@H]3CCCC[C@@H]3C2)CC1 19366232 ZKWFBCHWGRBOMO-HUUCEWRRSA-N 236.403 2.594 0 40 BFAB COc1cc(Cl)cnc1Br 21981897 WEQNSONLVQEQGQ-UHFFFAOYSA-N 222.469 2.506 0 40 BFAB CN(C)c1c(N)cc(Cl)cc1Cl 22121897 VROWZZUXTOGBRI-UHFFFAOYSA-N 205.088 2.642 0 40 BFAB COc1ccc(NC(=O)C=C(C)C)cc1 22927156 GHNFZPUZIVOQFO-UHFFFAOYSA-N 205.257 2.600 0 40 BFAB COCCn1c(-c2ccccc2)c[nH]c1=S 26424306 CIWBQSOXOQEBPO-UHFFFAOYSA-N 234.324 2.859 0 40 BFAB c1ccc([C@@H]2OCCNCc3ccccc32)cc1 32221120 ZMOHJRCONJZNKH-INIZCTEOSA-N 239.318 2.896 0 40 BFAB O=C(Nc1ccncc1)c1ccc(F)c(F)c1 32726002 XTWYPYLXPGURMW-UHFFFAOYSA-N 234.205 2.612 0 40 BFAB O=[N+]([O-])/C=C\c1ccccc1C(F)(F)F 33284649 CAXVHMDVSKVTID-WAYWQWQTSA-N 217.146 2.953 0 40 BFAB Clc1ncnc(Cl)c1-n1cccc1 34964822 BBMUILSOVSXWHQ-UHFFFAOYSA-N 214.055 2.574 0 40 BFAB CCOC(=O)c1cc(C)c(Br)s1 35994333 VSBONPDAWGFCKG-UHFFFAOYSA-N 249.129 2.996 0 40 BFAB Nc1[nH]ncc1-c1c(Cl)cccc1Cl 38997949 SZFFVTOWHGVGTF-UHFFFAOYSA-N 228.082 2.966 0 40 BFAB CC(C)C[C@H](NC/C=C/c1ccccc1)C(=O)O 41689555 NALTXKUJVSJCET-MRZGDXHCSA-N 247.338 2.789 0 40 BFAB biogenic CC[C@@H](C)C(=O)N[C@@H](C)CCc1ccco1 41975736 VSSCUFZFKBMHMI-MNOVXSKESA-N 223.316 2.763 0 40 BFAB CCC[C@H](O)c1cc(F)c(F)c(F)c1 43391903 PTBJKCIEENWPKH-VIFPVBQESA-N 204.191 2.937 0 40 BFAB O=C(C[C@H]1CC[C@@H](C(=O)O)C1)c1ccccc1 43879042 KUSALHNDZJBSBH-CMPLNLGQSA-N 232.279 2.760 0 40 BFAB CCc1c(C)sc2nc(C3CC3)[nH]c(=O)c12 48860592 AKZHDILNDSDIAO-UHFFFAOYSA-N 234.324 2.733 0 40 BFAB Cc1cc(-n2cnc3ccccc32)ccn1 65451350 XNAYKKUPXXSAMR-UHFFFAOYSA-N 209.252 2.729 0 40 BFAB CC(C)(C)c1ccc2c(c1)[C@H](C(=O)O)CN2 71486606 NONJDKPWPSQQQA-SNVBAGLBSA-N 219.284 2.578 0 40 BFAB O=CN1CCC[C@@H]1c1ccc2ncccc2c1 72221775 UGOQFJHYXNKDDL-CQSZACIVSA-N 226.279 2.528 0 40 BFAB CC[C@@H](O)c1cnc(N2CCCCC2)cc1C 72223500 AVIQVKDIKHFLHI-CYBMUJFWSA-N 234.343 2.824 0 40 BFAB CC(=O)NCCc1c(C)[nH]c2c(C)ccc(C)c12 72265342 RDOMRJOIKIVABC-UHFFFAOYSA-N 244.338 2.772 0 40 BFAB CC(C)(C)c1ccc(-n2cc(C(=O)O)cn2)cc1 75440679 LWHUBDCPRHXSBA-UHFFFAOYSA-N 244.294 2.868 0 40 BFAB CCOC(COc1cccc(C)c1)OCC 82486334 PZYXJNYOHASEQX-UHFFFAOYSA-N 224.300 2.773 0 40 BFAB Cc1cc(-c2cccc(C(=O)O)c2)sn1 83010654 MBFMJFWECSIPFN-UHFFFAOYSA-N 219.265 2.817 0 40 BFAB CN(Cc1ccccc1)C1CCC(=O)CC1 85872153 RBQSJWRNWNETSU-UHFFFAOYSA-N 217.312 2.630 0 40 BFAB in-vitro CCOc1ccc(Br)c2cn[nH]c12 90413791 VGLUQJYMFHLDHN-UHFFFAOYSA-N 241.088 2.724 0 40 BFAB CCCCOc1cc(F)ccc1CCO 95730386 YDQDLFVXVVPURY-UHFFFAOYSA-N 212.264 2.539 0 40 BFAB CCOc1ccccc1N(C)C[C@H]1CCOC1 95974427 VKMFBXHXHUXGNU-GFCCVEGCSA-N 235.327 2.558 0 40 BFAB Cc1nnc(NCc2ccccc2Cl)o1 95976656 SBHOTBHDHGWKNG-UHFFFAOYSA-N 223.663 2.644 0 40 BFAB O[C@H]1CCC[C@@H]1n1ccc2ccccc21 96526876 DYBWYTIGJGHYAD-STQMWFEESA-N 201.269 2.727 0 40 BFAB Cc1ccsc1COC(=O)c1cccnc1 97047013 ZTYRVBZFWYFPCU-UHFFFAOYSA-N 233.292 2.809 0 40 BFAB C[C@@H]1NC(=O)Nc2ccc(Br)cc21 221285029 YTKDUINJUSLAHW-YFKPBYRVSA-N 241.088 2.645 0 40 BFAB CC(C)(C)NC(=O)c1conc1-c1ccccc1 225870493 PMWMUMFCSCCFFF-UHFFFAOYSA-N 244.294 2.870 0 40 BFAB Cc1ccc(Nc2ncc(C)c(O)n2)c(C)c1 408977423 DGGGKMYONQFTMD-UHFFFAOYSA-N 229.283 2.851 0 40 BFAB O=C(O)C[C@@H]1COc2cc3ccccc3cc21 585656409 ZJBCXJFOHGCHCO-LLVKDONJSA-N 228.247 2.791 0 40 BFAB CC(=O)NC[C@@H](c1ccsc1)c1ccco1 669412067 ALAKSSIBOVHITC-NSHDSACASA-N 235.308 2.609 0 40 BFAB CCc1ccc2c(=O)c(C)c(CC)[nH]c2c1 685938095 CEOQPNHZOHRQJO-UHFFFAOYSA-N 215.296 2.961 0 40 BFAB CCOC(=O)C[C@H](c1ccccc1)N1CCCC1 1569396 SWNJINZJHYMWQV-CQSZACIVSA-N 247.338 2.777 0 40 BFAB CCCCOC(=O)COc1ccc(F)cc1 1732330 HORFJSRJZCRANO-UHFFFAOYSA-N 226.247 2.548 0 40 BFAB O=C(c1ccccc1)c1cc(F)ccc1O 2243254 BLAFMYLJPCNAIP-UHFFFAOYSA-N 216.211 2.762 0 40 BFAB in-vitro CC1(C)[C@H](c2ccc(O)cc2)CC[C@H]1O 3850126 POHOJJVYKRHKRZ-NWDGAFQWSA-N 206.285 2.657 0 40 BFAB biogenic CCC(=O)[C@@H]1CCCC[C@@H]1C(C)(C)C(=O)O 3850143 DTKRFHZIFOHAMP-ZJUUUORDSA-N 226.316 2.883 0 40 BFAB biogenic C[C@@H]1Cc2c(sc3nc[nH]c(=O)c23)C(C)(C)C1 4576413 WEXSCCVCUAVMMK-SSDOTTSWSA-N 248.351 2.845 0 40 BFAB Cc1noc2ncnc(Oc3ccccc3)c12 5724642 HRORRWAWOALHJJ-UHFFFAOYSA-N 227.223 2.719 0 40 BFAB Cc1cc(C)cc(O[C@H](C)C(=O)NC(C)C)c1 8041511 YDNOLHQAHFTSBY-GFCCVEGCSA-N 235.327 2.595 0 40 BFAB Cc1ccc(NC(=O)C[C@@H]2C=CCC2)nc1 12523297 ONWXHTNHICWLAR-LLVKDONJSA-N 216.284 2.685 0 40 BFAB Cc1ccc(OCCCCC(=O)O)c(C)c1 13609357 IXRUQQUXDWGWOD-UHFFFAOYSA-N 222.284 2.937 0 40 BFAB CNc1nccc(-c2ccc(Cl)cc2)n1 16189502 YQWPUGFQWAVWKX-UHFFFAOYSA-N 219.675 2.839 0 40 BFAB CCn1cc(NCc2cccs2)c(C)n1 20351793 QYQANJPRGUJQGJ-UHFFFAOYSA-N 221.329 2.885 0 40 BFAB CC(C)NC(=O)[C@@H](C)Sc1ccccc1 31866503 QOYRPXYONYEBTB-SNVBAGLBSA-N 223.341 2.692 0 40 BFAB COc1cc(OC)c2nccc(Cl)c2c1 35731054 ILKMTLUKSJFQPX-UHFFFAOYSA-N 223.659 2.905 0 40 BFAB C=CC(=O)Nc1ccccc1OC(F)(F)F 36334230 BLWSJFPDIMJVEC-UHFFFAOYSA-N 231.173 2.710 0 40 BFAB Cc1cc(Br)c2cn(C)nc2c1 36533449 DPADIKLDPCCSMC-UHFFFAOYSA-N 225.089 2.644 0 40 BFAB CC(C)[C@H](C)NC(=O)Nc1ccccc1N(C)C 40104734 KWAWQDIUZQASGF-NSHDSACASA-N 249.358 2.919 0 40 BFAB CC(=O)c1cccc(NC(=O)NCC(C)C)c1 40525790 OOEYIFJAEZZYQP-UHFFFAOYSA-N 234.299 2.667 0 40 BFAB CCN(CC)C(=O)COc1ccc(C)c(C)c1 41104082 PDVZOWSLBWYXAX-UHFFFAOYSA-N 235.327 2.551 0 40 BFAB CC(=O)Oc1ccccc1C(=O)c1ccccc1 43209744 ZTTANZQQBIQFEG-UHFFFAOYSA-N 240.258 2.843 0 40 BFAB CCCS(=O)(=O)Nc1ccc2ccccc2c1 45929327 QVFROHSSXYFXOL-UHFFFAOYSA-N 249.335 2.992 0 40 BFAB CC[C@@H]1CN(C(=O)NC)CC[C@@H]1c1ccccc1 74798957 URJODAYDQPAKPV-OCCSQVGLSA-N 246.354 2.842 0 40 BFAB CCOC(=O)c1csc(CCC(C)C)n1 79102221 BBLGMUGSZYYGGV-UHFFFAOYSA-N 227.329 2.908 0 40 BFAB CC[C@@H](c1ccccc1)N(C(=O)[C@H](C)N)C(C)C 79421261 MOIDWJJBYDBHIQ-JSGCOSHPSA-N 248.370 2.722 0 40 BFAB CCc1[nH]c2c(CC)cccc2c(=O)c1C 82449742 CYEFCXGFAMYATG-UHFFFAOYSA-N 215.296 2.961 0 40 BFAB COc1ccc(C)cc1Cc1ccc(C(=O)O)o1 84075011 HOESAWRIIOTYEX-UHFFFAOYSA-N 246.262 2.886 0 40 BFAB Cc1ccc(F)c(OCc2ccno2)c1 85565973 JMCXEUWJPQDPIX-UHFFFAOYSA-N 207.204 2.701 0 40 BFAB CN[C@H]1c2cccc(Br)c2C[C@@H]1C 86719411 CKGXHRVZKLFNSZ-WRWORJQWSA-N 240.144 2.902 0 40 BFAB Cc1nn(C)c(C)c1OCc1cccc(F)c1 89512319 RXNTVALJYLRMLT-UHFFFAOYSA-N 234.274 2.755 0 40 BFAB O=C(c1ccccc1OC1CCC1)N1CCCC1 89809679 NQNPTUAQIJUHOJ-UHFFFAOYSA-N 245.322 2.854 0 40 BFAB CSCCCNC(=O)NCCC1=CCCC1 95435256 QQCIEBSIYDKEMW-UHFFFAOYSA-N 242.388 2.539 0 40 BFAB CCCCCOc1cc(F)cc(CCO)c1 95732083 XDDAWZJKKGOHSD-UHFFFAOYSA-N 226.291 2.930 0 40 BFAB C[C@](O)(CNc1ncccc1F)C1CCCC1 96460540 FTFCBGPPKMZIPK-ZDUSSCGKSA-N 238.306 2.574 0 40 BFAB CC[C@H](C)Nc1cccc([S@@](C)=O)c1 97232080 QKMSWBPTRZAAAC-XPTSAGLGSA-N 211.330 2.634 0 40 BFAB CC(C)[C@H](Nc1cnn(C)c1)c1ccc(F)cn1 97378981 PLPSIMUXQGNMTF-ZDUSSCGKSA-N 248.305 2.763 0 40 BFAB O=C(OCc1ccccc1)N1C[C@H]2C=C[C@H]1C2 100073859 NDKQMNWQGHSZMJ-STQMWFEESA-N 229.279 2.584 0 40 BFAB Cc1cccc(N[C@@H]2CCCC[C@H]2N)c1 218857719 GYPOFMYXBZBROQ-CHWSQXEVSA-N 204.317 2.677 0 40 BFAB CC(C)CC[C@H]1CCCN1C[C@H]1CCOC1 390833233 DXEUIIVLIQCQGZ-ZIAGYGMSSA-N 225.376 2.924 0 40 BFAB CCOC(=O)C1(c2c(C)cccc2C)CC1 685936929 CSFXQESIAHJNTO-UHFFFAOYSA-N 218.296 2.898 0 40 BFAB CC(C)(C)OC(=O)N[C@H]1CC(F)(F)C[C@H]1F 710673638 WZBPQGVPNWCBHJ-RQJHMYQMSA-N 239.237 2.647 0 40 BFAB CSc1nc(Cl)nc2cc(C=O)sc12 1857794281 VIVLMKQXQDMAMR-UHFFFAOYSA-N 244.728 2.879 0 40 BFAB O=C1NCC/C1=C\c1ccc(Cl)c(Cl)c1 1653820 GZPIZOPMTYGLCF-VMPITWQZSA-N 242.105 2.897 0 40 BFAB CC1(C)C(=O)CC(c2ccccc2)CC1=O 1706764 ODRSGCGKRLSTAM-UHFFFAOYSA-N 216.280 2.728 0 40 BFAB c1ccc(-n2ccnc2[C@@H]2C3CCN2CC3)cc1 1865623 HUQILDYSLYZCSP-AWEZNQCLSA-N 239.322 2.639 0 40 BFAB O=C1CC[C@H]2CCc3ccccc3[C@@H]2O1 5776467 JMSDEBGLMQKUIE-ZWNOBZJWSA-N 202.253 2.627 0 40 BFAB biogenic Cc1ccc(NC(=O)[C@@H](O)c2ccccc2)cc1 5928989 BINKBTHAZZIVLD-AWEZNQCLSA-N 241.290 2.667 0 40 BFAB O=C(O)[C@H](Cc1ccncc1)c1ccc(F)cc1 11570641 WDEZUBOOGHWTEG-CYBMUJFWSA-N 245.253 2.632 0 40 BFAB O=C(c1ccccc1)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)O 12342520 GGRGOXDLLVXREZ-QNWHQSFQSA-N 244.290 2.616 0 40 BFAB CCCOc1cc(Cl)c(CN)cc1OC 12394255 CVDALRCIJHOLEO-UHFFFAOYSA-N 229.707 2.596 0 40 BFAB CC(C)[C@H](C)Nc1ccc2c(c1)OCO2 19966285 SWKNPSKEVOKLAM-VIFPVBQESA-N 207.273 2.872 0 40 BFAB Cc1c(C(=O)Nc2ccc(Cl)cc2)cnn1C 24013576 NKRPCVIEALNUHF-UHFFFAOYSA-N 249.701 2.634 0 40 BFAB O[C@@H]1CCC[C@@H]1N1CCC(c2ccccc2)CC1 28233304 ZCHXQEYBMVFQQT-JKSUJKDBSA-N 245.366 2.779 0 40 BFAB Cc1cc(C(=O)N2CCCCC2)sc1C 32721841 SKFWWDNJAKAVIN-UHFFFAOYSA-N 223.341 2.991 0 40 BFAB O=C(O)c1nc2cc(Cl)c(Cl)cc2[nH]1 34117433 PZVBZTDCNFRTLA-UHFFFAOYSA-N 231.038 2.568 0 40 BFAB CC(C)N[C@H]1CCCN(Cc2ccccc2)C1 36904516 UIHFTSDNSTYZAH-HNNXBMFYSA-N 232.371 2.649 0 40 BFAB O=C(NCC1(c2ccc(F)cc2)CC1)C1CCC1 38591090 SPSSGZPTLQLVNG-UHFFFAOYSA-N 247.313 2.774 0 40 BFAB CCOC(=O)c1nc(-c2ccc(N)cc2)cs1 40435371 NSFZNEOJGKFVMQ-UHFFFAOYSA-N 248.307 2.569 0 40 BFAB O=C(CSC1CCCC1)NC1CCCC1 40456862 HDTVLLBNYYTHEL-UHFFFAOYSA-N 227.373 2.721 0 40 BFAB CC(C)(Sc1nc2ccccc2[nH]1)C(=O)O 41637258 SKEMBKRCZTZUHU-UHFFFAOYSA-N 236.296 2.518 0 40 BFAB COc1ccc(-c2ccccc2)cc1CO 44198951 XRSUQUMHJFAAEL-UHFFFAOYSA-N 214.264 2.855 0 40 BFAB CCCCNC(=O)Nc1cccc(COC)c1 44935749 KNLUBJAMMGESPB-UHFFFAOYSA-N 236.315 2.755 0 40 BFAB CCCC(=O)Nc1cnc2ccccc2c1 45870402 VBBIXPCPYIQPQC-UHFFFAOYSA-N 214.268 2.973 0 40 BFAB C[C@@H]1NCCc2c(F)cc(Br)cc21 52095390 IBUJCHHQAKKASZ-LURJTMIESA-N 244.107 2.795 0 40 BFAB COc1ccc(OC)c([C@](C)(O)C(C)C)c1 55234350 OTOVOALMUQIOHQ-CYBMUJFWSA-N 224.300 2.567 0 40 BFAB CC(C)[C@@H](NC(=O)C1CC1)c1ccccc1 58230623 NYTNWYFDAHZOON-CYBMUJFWSA-N 217.312 2.910 0 40 BFAB OCc1ccc2nc(-c3ccccc3)oc2c1 62720042 FHLXBRMXWSHLDN-UHFFFAOYSA-N 225.247 2.987 0 40 BFAB CCCC[C@@H]1CCC[C@H]1NCc1ncc[nH]1 66593841 OKKWPXHQFUVSCT-VXGBXAGGSA-N 221.348 2.858 0 40 BFAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)C(C)(C)C 72208932 TYCRETDNDCTIRZ-MRVPVSSYSA-N 229.320 2.515 0 40 BFAB c1cnc(NC2CCC2)c(C2=NCCC2)c1 72213879 UWIZNTXIPXEQOJ-UHFFFAOYSA-N 215.300 2.629 0 40 BFAB CNc1ccc([C@H]2CCCCN2C(C)=O)c(C)n1 72219135 DBVOPBKXBZTBHA-CYBMUJFWSA-N 247.342 2.505 0 40 BFAB CC[C@@H](N)c1cnc(Br)c(C)c1 72221923 APGRPBBSXROXCU-MRVPVSSYSA-N 229.121 2.562 0 40 BFAB Cc1cncc(C(=O)N2C[C@@H]3CCCC[C@H]3C2)c1 89591492 MTPCFRAABYGYGF-STQMWFEESA-N 244.338 2.652 0 40 BFAB O=C(c1ccoc1)N1C[C@H]2CCCC[C@@H]2C1 89885122 CCODRBOBKCJIRQ-GHMZBOCLSA-N 219.284 2.542 0 40 BFAB C[C@@H]1C[C@H]1C(=O)Nc1cccc(-c2cn[nH]c2)c1 90497524 PNJJPNBKWSTMDC-NOZJJQNGSA-N 241.294 2.671 0 40 BFAB CC[C@@H]1CC[C@H](C)N1C(=O)NCc1ccco1 95458656 DAVSFYDXHIPHPF-WDEREUQCSA-N 236.315 2.752 0 40 BFAB CC[C@H]1CC[C@@H](C)N1C(=O)NCc1ccco1 95458659 DAVSFYDXHIPHPF-MNOVXSKESA-N 236.315 2.752 0 40 BFAB Cc1ccc(/C=C/C(=O)N[C@H](C)C(C)(C)C)cn1 95465646 ANVXMRKOYXXDQC-IDVQTMNDSA-N 246.354 2.954 0 40 BFAB CCC(CC)c1nc(CC2CCNCC2)no1 96511484 HIBIHRMTZGGGCM-UHFFFAOYSA-N 237.347 2.515 0 40 BFAB Cc1ccc(Br)c2[nH]ccc(=O)c12 134216730 AFQRIUJAOZPDFW-UHFFFAOYSA-N 238.084 2.599 0 40 BFAB CCOC[C@@H](C)OC(=O)c1ccc(F)cc1F 190742194 CZZITBJLHVYXHK-MRVPVSSYSA-N 244.237 2.547 0 40 BFAB O=C(Nc1cccc(F)n1)OCc1ccccc1 199814464 FQAZHSGYLHQZPH-UHFFFAOYSA-N 246.241 2.969 0 40 BFAB N[C@@H]1CCCC[C@@H]1Nc1ccccc1F 218861162 BUFAVRYHUICCTB-PWSUYJOCSA-N 208.280 2.508 0 40 BFAB COc1cc(C)c(C(=O)N(C)C)cc1C(C)C 225654404 PWGSQNHXBSNUMY-UHFFFAOYSA-N 235.327 2.829 0 40 BFAB Cc1cc(C(C)(C)C)c(O)cc1CC1=NCCN1 1569986043 NBOPQOASAGAOOQ-UHFFFAOYSA-N 246.354 2.542 0 40 BFAB Cc1ccc(Oc2ncccc2C(=O)O)cc1 131950 KSZLPVGPJCYPCJ-UHFFFAOYSA-N 229.235 2.881 0 40 BFAB CN(C)[C@@H]1c2ccccc2-c2ccc(N)cc21 4822257 AWEPOVQSWQKAQF-OAHLLOKOSA-N 224.307 2.900 0 40 BFAB O=C(O)C[C@H]1CC[C@@H]2C[C@@H](O)c3cccc1c32 5085144 KARFLYYFKRUEQF-KBVBSXBZSA-N 232.279 2.559 0 40 BFAB CC[C@H](CO)NCc1c(Cl)cccc1Cl 5908166 RJYJPPJXDIFVOH-MRVPVSSYSA-N 248.153 2.854 0 40 BFAB Cc1oc(C(=O)O)cc1CN1CCC(C)CC1 11889555 QAJBVANBPWRPNK-UHFFFAOYSA-N 237.299 2.518 0 40 BFAB O=C(O)c1cccn2cc(-c3ccccc3)nc12 11919731 KWBNZRKTIVPZIC-UHFFFAOYSA-N 238.246 2.700 0 40 BFAB in-vitro Cc1ccc(S[C@H](C)C(=O)N2CCC2)cc1 12926227 MWSBNIBBQXZZOY-LLVKDONJSA-N 235.352 2.708 0 40 BFAB O=[S@@](c1ccc(Cl)cc1)C(F)(F)F 16159764 PQEHUUVWOJMAGQ-CYBMUJFWSA-N 228.622 2.967 0 40 BFAB Nc1cccc(C(=O)Nc2cccc(F)c2)c1 19255858 NTRUKPPSBDQENE-UHFFFAOYSA-N 230.242 2.660 0 40 BFAB in-vitro C[C@H]1C[C@@H](C)CN(Cc2ccccc2CN)C1 20284060 DFPKKVOOAFAELB-BETUJISGSA-N 232.371 2.623 0 40 BFAB CCn1nc(C)cc1NC(=O)c1ccc(C)s1 28305031 ZIBKIYDBKCAOFW-UHFFFAOYSA-N 249.339 2.834 0 40 BFAB Fc1ccc(COCC[C@@H]2CCCCN2)cc1 28522164 LWHIQALHMDDZMZ-AWEZNQCLSA-N 237.318 2.875 0 40 BFAB Cc1ccc(CNC(=O)Nc2nccs2)cc1 32907265 FBLGIOGOOAKTBT-UHFFFAOYSA-N 247.323 2.773 0 40 BFAB C[C@@H]1CCC[C@@H](NC(=O)/C=C/c2cccnc2)C1 33185052 XTTALFPNMRPTQE-SNRDVKANSA-N 244.338 2.790 0 40 BFAB CCOC(=O)C1(Cc2ccccc2)CCC1 34615365 UFLUNUGZKBCZRC-UHFFFAOYSA-N 218.296 2.963 0 40 BFAB Cc1nn(-c2ccccc2)c(C)c1[C@H](C)N 38343276 YRSFXZYBBHGXIN-VIFPVBQESA-N 215.300 2.509 0 40 BFAB C[C@H](CO)c1cccc(Br)c1 39295764 CNKJJFVUWHGEHX-SSDOTTSWSA-N 215.090 2.545 0 40 BFAB Cc1cc(CSc2nccn2C2CC2)no1 40485726 QNRCQOXNYYBTBF-UHFFFAOYSA-N 235.312 2.807 0 40 BFAB C[C@H](SCc1ccc(F)cc1Cl)C(N)=O 45089931 MPDVVKJFFONTSY-LURJTMIESA-N 247.722 2.586 0 40 BFAB CC(C)[C@@H](C)NC(=O)CSc1ccccc1 49535679 INSVKYCALSWULK-LLVKDONJSA-N 237.368 2.939 0 40 BFAB CN[C@@H]1CCCN(Cc2cccc(Cl)c2)C1 53201702 JXFIXPSJVHQEKI-CYBMUJFWSA-N 238.762 2.524 0 40 BFAB COc1ccccc1[C@H]1CC[C@@H](C)CN1 70632590 ZUBBWBJBJRJFEF-ZYHUDNBSSA-N 205.301 2.756 0 40 BFAB in-vitro COC(=O)c1c(C)noc1-c1ccc(C)cc1 71873612 WPYTZLQBFQUQSK-UHFFFAOYSA-N 231.251 2.745 0 40 BFAB CC[C@H](C)S(=O)(=O)Nc1cc(C)ccc1C 75106589 PXLBOEVVRKJRND-NSHDSACASA-N 241.356 2.844 0 40 BFAB O=C(Nc1cncc(F)c1)c1cccs1 82356053 DACIDSIBGJHDMT-UHFFFAOYSA-N 222.244 2.535 0 40 BFAB CCCOc1cc(C)c(CCO)c(C)c1 83224937 XMNGJQJJNFYLPZ-UHFFFAOYSA-N 208.301 2.627 0 40 BFAB C[C@@H]1Cc2c(Br)cccc2O1 84306223 XADVHUPVGQLDNF-ZCFIWIBFSA-N 213.074 2.773 0 40 BFAB NCC1(c2ccc(F)cc2Br)CC1 84554100 DHPXHOHYECDERK-UHFFFAOYSA-N 244.107 2.579 0 40 BFAB CCc1ccccc1[C@@H](O)c1cccn1C 95727775 JPKZUICTLPANEW-CQSZACIVSA-N 215.296 2.669 0 40 BFAB Sc1ccc(COC[C@@H]2CCCO2)cc1 95738785 ZTMAHJKEJBGFJR-NSHDSACASA-N 224.325 2.671 0 40 BFAB CC1(C)C[C@H](N[C@H]2CCOC2)c2ccccc21 95983722 UVCYJXMOPGBZSQ-FZMZJTMJSA-N 231.339 2.788 0 40 BFAB CCCC(=O)N[C@H](C)c1c(F)cccc1OC 96425695 DGVODMMTDKYMDL-SECBINFHSA-N 239.290 2.812 0 40 BFAB CS[C@H]1CC[C@H](N(C)Cc2cccnc2)C1 96441603 MUDLPZGTKQGBCX-STQMWFEESA-N 236.384 2.798 0 40 BFAB COCCNc1c(Cl)cc(N)cc1Cl 96524269 CRYATUMVXZZODL-UHFFFAOYSA-N 235.114 2.634 0 40 BFAB COc1cc2ncoc2cc1Br 97463393 MKOAYKJQAXRQBR-UHFFFAOYSA-N 228.045 2.599 0 40 BFAB C[C@@H](C[C@H]1CCCO1)NCc1ccccc1 102430395 MTVXFLVYHHKCFY-GXTWGEPZSA-N 219.328 2.734 0 40 BFAB O=C(O)c1ccc(C2CC(F)(F)C2)cc1 107270289 OPONYNUPANBOHE-UHFFFAOYSA-N 212.195 2.898 0 40 BFAB CCC(=O)NCCOc1ccccc1C(C)(C)C 108751150 WQAMCTXMNWJECD-UHFFFAOYSA-N 249.354 2.889 0 40 BFAB Cc1ccc(/C=C2\SC(=O)N(C)C2=O)cc1 216532075 ROLUMKAHYCPYKM-YFHOEESVSA-N 233.292 2.661 0 40 BFAB Cc1ccc(CC(=O)Nc2cccnc2)c(C)c1 223842807 YTSSNKXYOCKAAV-UHFFFAOYSA-N 240.306 2.880 0 40 BFAB COc1c(C)cc(C(=O)C(F)F)cc1C 235033621 YGSUYLAULOWIPP-UHFFFAOYSA-N 214.211 2.760 0 40 BFAB C[C@@H](Oc1ccccc1Br)[C@@H]1CO1 256050636 FXHLWDFKHHKYTJ-XCBNKYQSSA-N 243.100 2.615 0 40 BFAB C[C@H]1COC(C)(C)CN1CCCCCF 330032431 MXLQPNQAJYDVJA-NSHDSACASA-N 217.328 2.626 0 40 BFAB CCCCn1cc(Cl)c(COCC)n1 408715305 HNQRQJBQKCNYME-UHFFFAOYSA-N 216.712 2.873 0 40 BFAB CC1(C)C[C@@H]1NC(=O)c1cscc1Cl 630801322 AXVLUWVJZTUGPZ-QMMMGPOBSA-N 229.732 2.930 0 40 BFAB CC(C)(C)C12CC(CNC(=O)C(F)(F)F)(C1)C2 953082565 ASOGAXNACBGSKD-UHFFFAOYSA-N 249.276 2.881 0 40 BFAB c1ccc([C@H]2CC(c3ccncc3)=NO2)cc1 64734 XGVSQOTWCCFAOX-CQSZACIVSA-N 224.263 2.947 0 40 BFAB Cc1ccc(C(=O)Nc2ccc(O)cc2)cc1 407517 GOMRVZGCGJBGPN-UHFFFAOYSA-N 227.263 2.953 0 40 BFAB in-vitro c1ccc2c(-n3cnc4ccccc43)nncc2c1 1465684 WVMNVMUMOHBXCS-UHFFFAOYSA-N 246.273 2.969 0 40 BFAB CCCC(=O)Nc1nnc(-c2ccccc2)s1 3016551 JKBHLSUUDWFAMX-UHFFFAOYSA-N 247.323 2.944 0 40 BFAB CC[n+]1ccccc1[C@@H](F)C(F)(F)F 3167792 VSVMHXFMQBOQEC-MRVPVSSYSA-N 208.178 2.567 0 40 BFAB OCc1nc2cc(C(F)(F)F)ccc2s1 4219227 ZOSBOTQZFNDFLE-UHFFFAOYSA-N 233.214 2.807 0 40 BFAB CCN1C(=O)S/C(=C/c2ccccc2)C1=O 5215135 AHFMXNZICQOWMJ-CSKARUKUSA-N 233.292 2.743 0 40 BFAB CCc1ccc2c(c1)[C@H](O)c1ccccc1[C@H]2O 5471542 BCOIBXZDUNKNNS-HZPDHXFCSA-N 240.302 2.726 0 40 BFAB CC(C)(C)N1O[C@H]1C(Cl)(Cl)Cl 5663536 URRVKQHINCACCQ-YGVKFDHGSA-N 218.511 2.728 0 40 BFAB Cc1ccc(N)cc1NC(=O)Cc1ccccc1 7467983 HCBMWHPBLGKGFV-UHFFFAOYSA-N 240.306 2.758 0 40 BFAB Cn1c2c(c3cc(O)ccc31)CCCC2 13652166 JAPZQASHCWXUBG-UHFFFAOYSA-N 201.269 2.763 0 40 BFAB CC(C)CNC(=S)Nc1ccc(F)c(F)c1 13787586 GTYBVBAAZUFJOI-UHFFFAOYSA-N 244.310 2.907 0 40 BFAB Cc1ccccc1-c1noc(C)c1C(=O)O 16746085 CBOGMXJKUKBSEQ-UHFFFAOYSA-N 217.224 2.657 0 40 BFAB in-vitro CCOc1ccc(OCC[C@@H]2CCCCN2)cc1 20221527 XNMFCQDVUXGKKI-ZDUSSCGKSA-N 249.354 2.996 0 40 BFAB Cc1ccc(NC(=O)Cc2ccccc2)c(N)c1 20343657 ALRYSZHEPNZFFO-UHFFFAOYSA-N 240.306 2.758 0 40 BFAB C[C@@]1(C2(O)CCCCC2)NCCc2ccccc21 20494418 VMXYNNOLPQQSFF-OAHLLOKOSA-N 245.366 2.743 0 40 BFAB biogenic,in-vitro C[C@@H]1CCCCN1C(=O)c1cc(Cl)ccn1 34937670 TUBXNIABKOGNHN-SECBINFHSA-N 238.718 2.750 0 40 BFAB CCc1c(-c2cccc(C)c2)n[nH]c1N 36916119 HBOJXXILVKVQGJ-UHFFFAOYSA-N 201.273 2.530 0 40 BFAB N[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 37381584 IJUBEDIWPVVNLP-DTWKUNHWSA-N 201.191 2.520 0 40 BFAB in-vitro Cc1cc(C(=O)NCc2ccsc2)c(C)o1 38586139 WZQSZZHIQVEGRB-UHFFFAOYSA-N 235.308 2.888 0 40 BFAB CC(C)c1n[nH]c(-c2cccc(F)c2)n1 40164181 ASOMTGLYCJGARY-UHFFFAOYSA-N 205.236 2.734 0 40 BFAB COCCN1CCC[C@@H]1c1cccs1 53399330 SZVVOXUMPVBSTN-SNVBAGLBSA-N 211.330 2.531 0 40 BFAB Cc1cc2c(Cl)nc(N3CCCC3)nc2[nH]1 62702436 TXNHSRRIWMXBPH-UHFFFAOYSA-N 236.706 2.520 0 40 BFAB O=C(NCC1(c2ccccc2)CC1)c1ccoc1 71794315 FYWRXWIJAUVDLC-UHFFFAOYSA-N 241.290 2.741 0 40 BFAB O[C@H](C[C@H]1CCCCCN1)c1ccccc1 72312135 VKSOBYQYHWOSEY-ZIAGYGMSSA-N 219.328 2.642 0 40 BFAB in-vitro CCS[C@@H]1CCC[C@@H]1Nc1ncccn1 78996778 VPRBOEVQQSNSGI-VHSXEESVSA-N 223.345 2.563 0 40 BFAB O=C(O)CN1CCC[C@@H]1CCCc1ccccc1 89830496 PZVMFIJXIYYQAZ-AWEZNQCLSA-N 247.338 2.558 0 40 BFAB CC[C@H](O)CN[C@@H](C)c1ccc(F)c(Cl)c1 96491140 YMDSVEBRNMJBOT-WPRPVWTQSA-N 245.725 2.901 0 40 BFAB C1CN(CC23CC4C[C@@H](CC[C@H](C4)C2)C3)CCO1 100726866 CJUFPPXAFDHYKJ-WXLSXGNJSA-N 249.398 2.925 0 40 BFAB O=C(O)CCc1cccn1Cc1ccccc1 196266716 ZZHDOQXBFPIYAX-UHFFFAOYSA-N 229.279 2.554 0 40 BFAB O=C(O)c1ccc2cc(Br)[nH]c2c1 212471078 PHUMXXWPXYBLDE-UHFFFAOYSA-N 240.056 2.629 0 40 BFAB Cc1cc(C)cc(-n2cccc2CO)c1 223724755 RRHMRXJOCPOJCF-UHFFFAOYSA-N 201.269 2.586 0 40 BFAB O=C(c1ccccc1)c1ccc2ccccn2c1=O 239562635 HUAPXYLTPPILCM-UHFFFAOYSA-N 249.269 2.531 0 40 BFAB C[C@@H]1CN2Cc3ccccc3-n3cccc3[C@H]2O1 260746636 BCXYGBQBCMDSLZ-IAQYHMDHSA-N 240.306 2.710 0 40 BFAB CCCCNCCOc1cccc(C)c1 1675023 JYSJBUCIKMEAJP-UHFFFAOYSA-N 207.317 2.764 0 40 BFAB CCOC(=O)/C=C/c1cc(F)cc(F)c1 2383971 LMSRIRQMDGZPNZ-ONEGZZNKSA-N 212.195 2.541 0 40 BFAB N=C1NC(=O)S/C1=C/c1cccs1 2708799 ZJJUMFGAKUTYST-GQCTYLIASA-N 210.283 2.523 0 40 BFAB CCCn1c(SC)nc2ccccc2c1=O 3306155 QWINMNCNGNJCCO-UHFFFAOYSA-N 234.324 2.528 0 40 BFAB COc1ccc(OC)c(NC(=O)C(C)(C)C)c1 5379521 ZDMQBPDGIJATFQ-UHFFFAOYSA-N 237.299 2.688 0 40 BFAB CCOC(=O)C[C@@H](c1ccccc1)N1CCCC1 6385678 SWNJINZJHYMWQV-AWEZNQCLSA-N 247.338 2.777 0 40 BFAB CC[C@H](C)C(=O)Nc1ccc(Cl)c(N)c1 8732392 KOXMDAFEUSWQAH-ZETCQYMHSA-N 226.707 2.907 0 40 BFAB COc1cccc(NC(=O)N[C@@H](C)C(C)C)c1 13048609 LHOFTIAJEXGTPV-JTQLQIEISA-N 236.315 2.861 0 40 BFAB Oc1ccccc1C(=S)NC1CCCCC1 15015046 YQGXFYRRFBPIGC-UHFFFAOYSA-N 235.352 2.990 0 40 BFAB CCN(CC)C[C@@H](O)c1ccccc1Cl 19784827 IUMFICZMOGWANU-GFCCVEGCSA-N 227.735 2.715 0 40 BFAB Nc1ccc(C(=O)Nc2cccc(F)c2)cc1 20193523 YJFBTAGFJOHASC-UHFFFAOYSA-N 230.242 2.660 0 40 BFAB CCn1nc(C)c(C(=O)N2CCCCCC2)c1C 27983134 SHBFJCUCSJJRFN-UHFFFAOYSA-N 249.358 2.536 0 40 BFAB Cc1ccccc1Cc1sc(N)nc1C 35250898 FYWUMXUTQKGQTR-UHFFFAOYSA-N 218.325 2.933 0 40 BFAB in-vitro CN(C)C1(C(=O)O)CCC(c2ccccc2)CC1 37357578 CEAIWOBEBRARAC-UHFFFAOYSA-N 247.338 2.729 0 40 BFAB Cc1cc(SC(=N)N)c2ccccc2n1 39109934 QPIUJEMWIXUNAH-UHFFFAOYSA-N 217.297 2.529 0 40 BFAB CC(=O)Nc1cccc(-c2ccncc2)c1 39316605 OPIBZZLCZBMFGN-UHFFFAOYSA-N 212.252 2.707 0 40 BFAB CC(=O)c1ccc(OCC[C@H]2CCCNC2)cc1 42771460 WJLLYFQZIOTWGG-CYBMUJFWSA-N 247.338 2.658 0 40 BFAB CC[C@@H](C)NC(=O)N1CCc2sccc2C1 42843564 HAXQOSZISVTNJG-SECBINFHSA-N 238.356 2.614 0 40 BFAB O=C(c1ccc(C2OCCO2)cc1)C1CCC1 43212700 UOLDNSVNVLTFPV-UHFFFAOYSA-N 232.279 2.715 0 40 BFAB NC(=S)Cc1ccc(C(F)(F)F)cc1 43512014 OWJRTEZTYRLBTD-UHFFFAOYSA-N 219.231 2.534 0 40 BFAB Cc1cccc(C(=O)c2c(F)cccc2F)n1 45028503 WAJMTJBEXIZEET-UHFFFAOYSA-N 233.217 2.899 0 40 BFAB c1ccc(-c2noc(-c3ccc[nH]3)n2)cc1 45893678 LIFYRTYXHRVHET-UHFFFAOYSA-N 211.224 2.732 0 40 BFAB COCCN(C)Cc1c(F)cccc1Cl 53403397 FTOVFAAJYJXZID-UHFFFAOYSA-N 231.698 2.557 0 40 BFAB CCN(CC)c1ccc([C@@H]2C[C@H]2CN)cc1 62494921 IZPPELIVXYQZQR-JSGCOSHPSA-N 218.344 2.595 0 40 BFAB CCOc1cc(C)nc2ccc(C(=O)O)cc12 62725390 DTBGNXHVXIAVHI-UHFFFAOYSA-N 231.251 2.640 0 40 BFAB O=C(O)c1cnc2onc(C3CCCC3)c2c1 68589964 OROQPHVHBNAGML-UHFFFAOYSA-N 232.239 2.579 0 40 BFAB COC(=O)Cc1c[nH]c2cc(Cl)ccc12 69591121 WVEHYRATJOBEFM-UHFFFAOYSA-N 223.659 2.537 0 40 BFAB CCOc1ccc(-c2csc(NN)n2)cc1C 71569276 RLFRWYCGKKVHNI-UHFFFAOYSA-N 249.339 2.803 0 40 BFAB Brc1cncc(OC2CCC2)c1 72192780 SXJLMAWFMIMSEE-UHFFFAOYSA-N 228.089 2.775 0 40 BFAB Cc1nc(Oc2ccccc2)ccc1C=O 72224186 GADOBKAAFBOEIC-UHFFFAOYSA-N 213.236 2.995 0 40 BFAB c1cc([C@H]2CCCN(C3CCCC3)C2)ncn1 72348414 JDMGWFPRCYJUBI-LBPRGKRZSA-N 231.343 2.599 0 40 BFAB CC[C@H]1CN(Cc2csc(C)n2)CCS1 76073583 NKYNMKBLKZKIHH-NSHDSACASA-N 242.413 2.779 0 40 BFAB CCCCn1ccc([C@H](C)NCCCOC)c1 78406225 MXNMKEHVEDTUAK-ZDUSSCGKSA-N 238.375 2.975 0 40 BFAB CC(C)COc1ccccc1[C@H]1C[C@H]1CN 80441743 RJVKMTDEGZFHTQ-AAEUAGOBSA-N 219.328 2.784 0 40 BFAB Oc1ccc2c(Br)ccnc2c1 82049602 RCUKNOKAORMYMY-UHFFFAOYSA-N 224.057 2.703 0 40 BFAB C[C@H](CN)c1ccccc1Br 82371266 CRNLZUICRPVNBC-SSDOTTSWSA-N 214.106 2.511 0 40 BFAB CC(C)(C)OC(=O)N1C(=O)[C@H]2CCCC[C@]21C 83811595 FGAZTICMZUHRCA-NOZJJQNGSA-N 239.315 2.713 0 40 BFAB CCC[C@@H](C)NC(=O)[C@H](C)N(C)CC(C)(C)C 84740198 WQICVBLPOZPUFJ-NEPJUHHUSA-N 242.407 2.658 0 40 BFAB C[C@@H](Cc1ccoc1)NC(=O)c1ccsc1 84837609 FIKHIPPAYZYGRO-VIFPVBQESA-N 235.308 2.702 0 40 BFAB FC(F)(F)Sc1cnc(Cl)cn1 91252783 RJDGMOWRRNQXEW-UHFFFAOYSA-N 214.599 2.742 0 40 BFAB COCOc1c(F)ccc(F)c1Cl 95611868 PXAIPMHHQSIMQQ-UHFFFAOYSA-N 208.591 2.601 0 40 BFAB COCCCN[C@H](C)c1cccc(F)c1F 96492448 NLCXLIHAEKHIOD-SECBINFHSA-N 229.270 2.652 0 40 BFAB COCC[C@@H](C)Nc1ccc(-n2ccnc2)cc1 97037190 NCZKJQYWZKXSCC-GFCCVEGCSA-N 245.326 2.709 0 40 BFAB CCC12C[C@@H]3C[C@@H](C1)CC(OCCO)(C3)C2 100153338 UREAHLMKOYWUSL-FEPKRQSRSA-N 224.344 2.744 0 40 BFAB CC(C)(C)OC(=O)N[C@H]1CCC[C@H](F)C1 107261452 LMGCOGYRDPYGEQ-IUCAKERBSA-N 217.284 2.792 0 40 BFAB O=Cc1cc(Br)c2ncccc2c1 164208874 YHXGYQWFMHRFQL-UHFFFAOYSA-N 236.068 2.810 0 40 BFAB Cc1cc(C)nc([C@@H]2CCN(CC3CCC3)C2)n1 257231348 GGGZFCDZORDENU-CQSZACIVSA-N 245.370 2.683 0 40 BFAB C[C@H](Oc1ccc(F)cn1)c1cccnc1 585654816 SUGYNCMTYDGTHT-VIFPVBQESA-N 218.231 2.756 0 40 BFAB COC(=O)[C@H]1C[C@@H]1c1ccc(C)cc1C 1857793768 MPTUNAHTWJBMSY-NEPJUHHUSA-N 204.269 2.580 0 40 BFAB COc1cccc(C(=O)N2CCCC[C@H]2C)c1 30029 BCWADJPUGGUUSP-LLVKDONJSA-N 233.311 2.710 0 40 BFAB O=C(c1ccc(C(F)(F)F)cc1)N1CCCC1 139518 NASITTYCVFEAGM-UHFFFAOYSA-N 243.228 2.941 0 40 BFAB NC(=O)c1ccc(Cl)c2ccccc12 1686363 XQMOLOBPEVYGIY-UHFFFAOYSA-N 205.644 2.592 0 40 BFAB CCCOC(=O)c1ccc(NC(=O)C(C)C)cc1 1807994 UDVSFEIBKJZYHS-UHFFFAOYSA-N 249.310 2.848 0 40 BFAB COc1ccc2c3c([nH]c2c1)[C@@H](C)N(C)CC3 2539688 XESCOJFEJCDSFL-SECBINFHSA-N 230.311 2.725 0 40 BFAB OC1=NC(=S)S/C1=C/c1ccoc1 2573471 BOLSPCFXBKVASD-ZZXKWVIFSA-N 211.267 2.609 0 40 BFAB CCCC[C@H](CC)CNC(=O)CCCC(=O)O 4784103 XWMLZVVZTMWKSC-NSHDSACASA-N 243.347 2.574 0 40 BFAB O=C(N[C@H]1CCOc2ccccc21)c1ccco1 7214632 UFHZMADLIUQJHE-NSHDSACASA-N 243.262 2.533 0 40 BFAB Cc1cc2c(cc1C)[C@H](N)CC(C)(C)O2 11848958 QYFREVFIVRIKQH-LLVKDONJSA-N 205.301 2.864 0 40 BFAB CC[C@H](C)NC(=O)Nc1cccc(OC)c1 12851150 MOKKSFXBYYSPAJ-VIFPVBQESA-N 222.288 2.615 0 40 BFAB O=C(O)c1ccccc1CCc1ccccn1 19735533 FQMJKVCITJEXFU-UHFFFAOYSA-N 227.263 2.565 0 40 BFAB in-vitro Nc1cc(NC(=O)c2cccnc2)ccc1Cl 20344184 OWUTVSNKCQUSER-UHFFFAOYSA-N 247.685 2.570 0 40 BFAB CCOC(=O)c1ccc([C@H]2CCC(=O)C2)cc1 22015670 MJHOVEAQNKQHHE-LBPRGKRZSA-N 232.279 2.700 0 40 BFAB C[C@@H]1C[C@H]1C(=O)Nc1nc(C2CC2)cs1 25560560 QAFGZNIKOOFRDJ-HTRCEHHLSA-N 222.313 2.615 0 40 BFAB Nc1cc(C(F)(F)F)nn1Cc1ccccc1 26512173 HVBFZQNHPOMFFJ-UHFFFAOYSA-N 241.216 2.532 0 40 BFAB CCCCC[C@H](O)CNCc1ccccc1 26897808 SYHHGKXCKVTSGK-AWEZNQCLSA-N 221.344 2.717 0 40 BFAB Cc1cccnc1-c1ccnc(Cl)n1 36719726 LELROZILQOFBPF-UHFFFAOYSA-N 205.648 2.500 0 40 BFAB Nc1nc2nccc(-c3ccccc3)c2s1 40175511 LKVBPEMMCQSBJP-UHFFFAOYSA-N 227.292 2.941 0 40 BFAB Cc1ccc(C(=O)[C@H]2CCC[C@H]2C(=O)O)cc1 43879003 VWUABZLEGQFYQH-NWDGAFQWSA-N 232.279 2.679 0 40 BFAB O=c1oc(-c2ccccc2)cc2cnccc12 71255716 FVJSGLJBLDWPPB-UHFFFAOYSA-N 223.231 2.855 0 40 BFAB CN1CCC[C@@H]1c1cccnc1N1CCCCC1 72216087 YNVUNOWMIKXFEY-CQSZACIVSA-N 245.370 2.839 0 40 BFAB CC(=O)N1CCC[C@H]1c1cnc2ccccc2c1 72219561 FWBBQYJGQHCVEZ-HNNXBMFYSA-N 240.306 2.918 0 40 BFAB COc1ccc([C@H]2CCCCN2C)cc1 72221509 KSVIBVRZHTZGFY-CYBMUJFWSA-N 205.301 2.852 0 40 BFAB Cc1nc(Oc2ccccc2)ccc1C(=O)O 72224192 BCKPOLGOMHTNSW-UHFFFAOYSA-N 229.235 2.881 0 40 BFAB C[C@@H]1C[C@H]2CCCC[C@@H]2N1CCCCCO 75837566 BPPIIGKSPBJQIU-MCIONIFRSA-N 225.376 2.802 0 40 BFAB O=C(O)C1(Cc2cccc(F)c2)CCC1 83570109 DQVFFAUQMVIMGZ-UHFFFAOYSA-N 208.232 2.623 0 40 BFAB in-vitro CCC[C@@H](CCOC)CN[C@@H](C)CC 85396251 IKUWOAXCYWNJKF-RYUDHWBXSA-N 201.354 2.827 0 40 BFAB COC(=O)C[C@@H]1CCn2c1cc1ccc(F)cc12 91302008 KBMSHNJWPLQZRR-JTQLQIEISA-N 247.269 2.831 0 40 BFAB CC(C)Oc1ccc(NCc2ncc[nH]2)c(F)c1 95448766 YZMJLXXORFPMKV-UHFFFAOYSA-N 249.289 2.948 0 40 BFAB CCOC(=O)C(=O)c1ccc(C(F)F)c(F)c1 95634653 SVXHBKRXBAGHOR-UHFFFAOYSA-N 246.184 2.509 0 40 BFAB CC(C)CCOc1cc(F)ccc1CCO 95739539 OCIBBAKXCHWALN-UHFFFAOYSA-N 226.291 2.785 0 40 BFAB CS[C@@H]1CCN(C(=O)/C=C/c2ccccc2)C1 96119997 RKQXRSUTVQLTHW-SBDDDAINSA-N 247.363 2.664 0 40 BFAB CC(C)[C@@](C)(Cc1ccccc1)C(=O)O 96328865 HHYUSUWCEGGVAG-CYBMUJFWSA-N 206.285 2.976 0 40 BFAB in-vitro O=C1CC(c2ccco2)=Nc2ccccc2N1 100898105 ZOJLKJWDGDZCLL-UHFFFAOYSA-N 226.235 2.743 0 40 BFAB CC(=O)N[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1c1ccccc1 104345074 MNUMESDXWPVHHF-ZQDZILKHSA-N 229.323 2.705 0 40 BFAB CCc1ccccc1C[C@H](OC(C)C)C(=O)O 225041743 PLNNRDKQEGDKRB-ZDUSSCGKSA-N 236.311 2.670 0 40 BFAB CCc1cccc(Br)c1C=O 228135824 NAAOIWGAIPOLMK-UHFFFAOYSA-N 213.074 2.824 0 40 BFAB Nc1cccc(C2CC2)c1Br 238627460 CKWWONPVHUEUSO-UHFFFAOYSA-N 212.090 2.909 0 40 BFAB O=C(CC1CC1)NCc1ccc(-c2ccco2)o1 575604737 DWESNIBKEVCMAH-UHFFFAOYSA-N 245.278 2.956 0 40 BFAB CC(C)OC(=O)Cc1ccc(O)c(Cl)c1 601703663 MJAXYOOGKMLQHV-UHFFFAOYSA-N 228.675 2.540 0 40 BFAB Cc1ccc([C@@H](O)c2ccccc2O)cc1 305494 QMIIYQVYBXUULW-CQSZACIVSA-N 214.264 2.782 0 40 BFAB biogenic CCC1=NC(C)(C)Cc2cc3c(cc21)OCCO3 1428851 RWSJCXGAMOKVDL-UHFFFAOYSA-N 245.322 2.992 0 40 BFAB N=C(N)Cc1ccc(Oc2ccccc2)cc1 1442808 GYWYGPWAALJUIG-UHFFFAOYSA-N 226.279 2.957 0 40 BFAB CC[C@H](C)n1c(=O)cc(C)n1[C@H](C)CC 1710353 RBKMMZIPXVUYCG-ZJUUUORDSA-N 210.321 2.900 0 40 BFAB Cc1ccc(NC(=O)[C@@H](F)C(F)(F)F)cc1 3183749 FIRLPILGMKGHAU-MRVPVSSYSA-N 235.180 2.834 0 40 BFAB COc1ccc(NC(=S)SC)cc1 3185544 UOYBFGLHKDTKSI-UHFFFAOYSA-N 213.327 2.755 0 40 BFAB biogenic O=C(O)CCc1cccc2c1CCCC2 3846884 ZGEBZGPVWOXJBJ-UHFFFAOYSA-N 204.269 2.583 0 40 BFAB biogenic CCCCCc1nnc(NC(=O)C(C)C)s1 4713424 OVRQJADUSVPBGA-UHFFFAOYSA-N 241.360 2.865 0 40 BFAB CC(=O)[C@@H]1CC[C@]2(C)CCC(=O)[C@H](C)[C@@H]2C1 4984582 TWCJTIDWKFRZSQ-SGESHTKJSA-N 222.328 2.997 0 40 BFAB CCNc1cc(OCC)ccc1OCC 5139746 FFGGKPPVNIPGAK-UHFFFAOYSA-N 209.289 2.916 0 40 BFAB S=C(NC1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1C2 6333228 WXJSSYZPESMJNR-UMNHJUIQSA-N 238.400 2.582 0 40 BFAB OC1=NC2(CCSCC2)Nc2ccccc21 12522565 ODYSTGFFNRXWOJ-UHFFFAOYSA-N 234.324 2.640 0 40 BFAB Cc1ccc(C)c(SCC(=O)N2CCC2)c1 12973850 OAGMTZDFKRZJKJ-UHFFFAOYSA-N 235.352 2.628 0 40 BFAB CCCCCC(=O)NCc1ccc(C(=O)O)cc1 13261540 VSMZUFAVWQURHH-UHFFFAOYSA-N 249.310 2.581 0 40 BFAB Cc1occc1C(=O)Nc1ccc2[nH]ncc2c1 13323301 CHPCGLJDEDQEHS-UHFFFAOYSA-N 241.250 2.717 0 40 BFAB CCc1ccccc1OC[C@@H]1CCCNC1 14631187 AYOWZWPLFMKWJV-GFCCVEGCSA-N 219.328 2.627 0 40 BFAB COc1cccc(CC(=O)NC2CCCCC2)c1 14856807 USYBRJFWFCGVBY-UHFFFAOYSA-N 247.338 2.687 0 40 BFAB Cc1[nH]c2ccc(Cl)cc2c1C(=O)O 19724966 SNWNOZKZEGWJPD-UHFFFAOYSA-N 209.632 2.828 0 40 BFAB in-vitro c1ccc2c(c1)CNCC21CCCCC1 19789207 YNIHJHIQMUFKJW-UHFFFAOYSA-N 201.313 2.992 0 40 BFAB in-vitro Nc1ccc2c(c1)CCN2Cc1ccccc1 19874937 RXWRAZGLVOCTDG-UHFFFAOYSA-N 224.307 2.832 0 40 BFAB in-vitro O=C1Nc2ccccc2C12CCCCC2 32010007 LLHRWZOIAVWPKH-UHFFFAOYSA-N 201.269 2.841 0 40 BFAB in-vitro C[C@H](C1CC1)N(C)C(=O)c1ccc(Cl)o1 32907068 VETHFPWLZMCSBY-SSDOTTSWSA-N 227.691 2.804 0 40 BFAB OCc1cccc(NCCc2ccccc2)c1 35037203 UHRDGRVJRNXWKC-UHFFFAOYSA-N 227.307 2.834 0 40 BFAB Cc1cc(C)cc([C@H](N)c2cccnc2)c1 37746124 GOLWCRATNOFAAK-CQSZACIVSA-N 212.296 2.747 0 40 BFAB in-vitro CCOC(=O)[C@@H](C(=O)Cc1ccccc1)C(C)C 38954562 GLMIDTBEENEUNW-CQSZACIVSA-N 248.322 2.634 0 40 BFAB O=C(CC[C@@H]1CCCO1)Nc1ccccc1 40505821 VNNIHXGPXFBADT-LBPRGKRZSA-N 219.284 2.584 0 40 BFAB Cc1cc(CN[C@@H](C)c2cccc(O)c2)on1 44985814 SXVNVQHPIUCFST-JTQLQIEISA-N 232.283 2.539 0 40 BFAB C[C@H]1CN(C(=O)CCC2CCCC2)[C@@H](C)CO1 45446164 NXIITIGPLXYQIE-RYUDHWBXSA-N 239.359 2.593 0 40 BFAB O=C(c1ccc2[nH]ccc2c1)C(F)(F)F 45787477 BEAXZGXRMVALGL-UHFFFAOYSA-N 213.158 2.913 0 40 BFAB in-vitro Cc1nc(-c2ccccc2F)c(N)s1 50308117 YFWFLYWHZTVFNN-UHFFFAOYSA-N 208.261 2.840 0 40 BFAB CNc1nc2c(s1)COc1ccccc1-2 61714330 JLGVYBJOTIOVNI-UHFFFAOYSA-N 218.281 2.744 0 40 BFAB in-vitro CCC1(C(=O)O)CCN(Cc2ccccc2)CC1 62846593 UCMQTTZNVJQLRP-UHFFFAOYSA-N 247.338 2.763 0 40 BFAB CC(C)(C)CC(=O)N1CCC[C@H]1c1cnccn1 72187500 BBFJYQLVQSCZOK-LBPRGKRZSA-N 247.342 2.576 0 40 BFAB CCOc1ccc([C@@H]2CCCCN2C)cn1 72211793 DILRQRDWQOAXJO-LBPRGKRZSA-N 220.316 2.637 0 40 BFAB CC(=O)N1CCCC[C@@H]1c1cccs1 72221664 UXSJHVPAJPXQCD-SNVBAGLBSA-N 209.314 2.822 0 40 BFAB Cc1cc(Br)cc2nc(N)sc12 73638417 DCVYIRICHCIPMA-UHFFFAOYSA-N 243.129 2.949 0 40 BFAB O=C(Nc1ccncc1)c1cccc2cc[nH]c12 76189827 OUWALTIELZEGIC-UHFFFAOYSA-N 237.262 2.815 0 40 BFAB CCOc1cc(C=O)cc(C(F)(F)F)c1 90413163 SVBGXSKCGXZSES-UHFFFAOYSA-N 218.174 2.917 0 40 BFAB COc1cc(C=O)c(F)c(C(F)(F)F)c1 91252078 YHTRIRREEHYBRI-UHFFFAOYSA-N 222.137 2.666 0 40 BFAB CCS(=O)(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1 96510165 MPILENOIGWDAOP-QWRGUYRKSA-N 244.743 2.631 0 40 BFAB Cc1cscc1C(=O)Nc1ncccc1F 97110808 SRYDPLCDIOZVOT-UHFFFAOYSA-N 236.271 2.843 0 40 BFAB COc1cc(C(F)(F)F)cc(F)c1C(=O)O 97439012 HREUQQFCHQHDNC-UHFFFAOYSA-N 238.136 2.551 0 40 BFAB CC(C)[C@H](C(N)=O)c1cccc(Cl)c1 98018602 KCFIRTVHGGNWBN-JTQLQIEISA-N 211.692 2.565 0 40 BFAB Cc1nsc(N2CC[C@@H]3CCCC[C@@H]32)n1 98018923 GTEJYDFRXBXOBZ-UWVGGRQHSA-N 223.345 2.615 0 40 BFAB Fc1ccc(-c2noc(C(F)(F)F)n2)cc1 139636530 CFARILGMEUMKIT-UHFFFAOYSA-N 232.136 2.895 0 40 BFAB CC[C@@H](C(=O)O)N(C)c1cccc(C)c1C 224981785 BPRLTCLLDITKKK-NSHDSACASA-N 221.300 2.603 0 40 BFAB Cc1csc(O[C@@H](C)c2cccnc2)n1 585651637 FZJFLUBSADAVOX-VIFPVBQESA-N 220.297 2.987 0 40 BFAB CN(C)c1nc2ccc(Cl)cc2cc1C=O 685937385 OFMQVISTTKPMBV-UHFFFAOYSA-N 234.686 2.767 0 40 BFAB COC(=O)NCc1cc(-c2ccoc2)cs1 1775969895 QURZVMGPOYOAAQ-UHFFFAOYSA-N 237.280 2.864 0 40 BFAB Cn1cnc(-c2ccc(F)c(C(F)(F)F)c2)n1 2362801862 VWSVIRWQMOYCJT-UHFFFAOYSA-N 245.179 2.640 0 40 BFAB O=c1c(-c2ccccn2)coc2cc(O)ccc12 138904 WKSMTKCZUMCYSS-UHFFFAOYSA-N 239.230 2.561 0 40 BFAB biogenic Cc1cccc(C(=O)NCc2cccs2)c1 484429 ISNXDXROJSHETJ-UHFFFAOYSA-N 231.320 2.987 0 40 BFAB C[C@@H]1OC(C)(Cc2ccccc2)O[C@H]1C 1566551 HHUSYSVURIIUJI-QWRGUYRKSA-N 206.285 2.769 0 40 BFAB CCN(CCO)CCc1cccc2ccccc12 1689540 ZUVMQNOCUJYVMJ-UHFFFAOYSA-N 243.350 2.697 0 40 BFAB N[C@H](CCCCC1CCCCC1)C(=O)O 1724692 UHGPNAIDGYOJHF-LLVKDONJSA-N 213.321 2.539 0 40 BFAB CCn1cc(CNCc2ccc(F)cc2)c(C)n1 2536075 DAAZCCCEDCNOII-UHFFFAOYSA-N 247.317 2.640 0 40 BFAB CCOC(=O)c1cc(C(C)(C)C)sc1N 2541413 VULBATZCZZZNSX-UHFFFAOYSA-N 227.329 2.805 0 40 BFAB in-vitro CCOC(OCC)n1cnc2ccccc21 3161023 LWGDKVGDHWIFRB-UHFFFAOYSA-N 220.272 2.565 0 40 BFAB CC[C@H](C(=O)Nc1nncs1)c1ccccc1 4680201 GVJODQHVMKKSFK-JTQLQIEISA-N 247.323 2.670 0 40 BFAB Cc1ccc2nsnc2c1NC(=O)CC(C)C 4840134 RMBROAFOXQZGCN-UHFFFAOYSA-N 249.339 2.984 0 40 BFAB CCCCCC[C@@H]1C(=O)CC[C@@H]1C(=O)OC 5820605 IPWBXORAIBJDDQ-QWRGUYRKSA-N 226.316 2.725 0 40 BFAB CCNc1nc2cc(C)nn2c2ccccc12 7717254 UCLVJMFJNTTXPI-UHFFFAOYSA-N 226.283 2.623 0 40 BFAB NC(=O)c1ccc(CN2CCCCCCC2)cc1 9450668 GKKCVLNOXNXJDU-UHFFFAOYSA-N 246.354 2.552 0 40 BFAB CC(C)c1ccccc1OC1CCNCC1 12138090 NOWDXJHLBOBVQB-UHFFFAOYSA-N 219.328 2.941 0 40 BFAB in-vitro Cc1ccnc(NC(=O)Cc2ccsc2)c1 12537734 VPUMOAVLFGWXIS-UHFFFAOYSA-N 232.308 2.633 0 40 BFAB Cc1ccc(F)c(NC(=O)[C@H]2C[C@@H]2C)c1 13019550 RUOMZFDQAPMCHO-IUCAKERBSA-N 207.248 2.729 0 40 BFAB CCc1ccc(NC(=O)Nc2cnccn2)cc1 15952151 HHAQDKLZSYFFAZ-UHFFFAOYSA-N 242.282 2.683 0 40 BFAB C[C@@H](NN)c1cc(Cl)ccc1Cl 19403254 LWHUNXYBNIANIV-RXMQYKEDSA-N 205.088 2.518 0 40 BFAB Cc1ccc(-c2cc(Cl)nc(N)n2)cc1 20394005 PLMXJFQHYJEXCI-UHFFFAOYSA-N 219.675 2.688 0 40 BFAB CCc1cc(Cl)nc(N2CCC[C@@H](C)C2)n1 22073610 YIGJBYOBWUMDLI-SECBINFHSA-N 239.750 2.929 0 40 BFAB CC(C)n1nccc1NC(=O)c1ccsc1 22290014 JAOJIQYFBLHGFK-UHFFFAOYSA-N 235.312 2.778 0 40 BFAB CC[C@H](C(=O)Nc1ccn(C)n1)c1ccccc1 22614142 DYYMBYTUIXGVME-LBPRGKRZSA-N 243.310 2.552 0 40 BFAB CC(C)c1cc(=O)[nH]c(C2CCCCC2)n1 36755242 ITJHAVHLFKVONP-UHFFFAOYSA-N 220.316 2.941 0 40 BFAB COc1ccc2sc(C(=O)O)cc2c1OC 39236465 YKBDVZRJDAEYFI-UHFFFAOYSA-N 238.264 2.617 0 40 BFAB O=C(NCCc1cccs1)[C@@H]1CC=CCC1 40160166 OPZOUPUISQQARO-LLVKDONJSA-N 235.352 2.763 0 40 BFAB O=C(CSC(F)(F)F)NCC1CCCC1 48162401 WYDKFWAKPPMUPH-UHFFFAOYSA-N 241.278 2.546 0 40 BFAB CC(=O)c1ccc(Cl)c(NC(=O)C2CC2)c1 49829070 IQUXXSTVIYOFDV-UHFFFAOYSA-N 237.686 2.891 0 40 BFAB CC[C@@H](Oc1cc(C)c(Cl)c(C)c1)C(N)=O 61679870 GDQNPHGMFOUFKX-SNVBAGLBSA-N 241.718 2.600 0 40 BFAB CCc1nc2ccccc2n1[C@H]1CCCNC1 62807719 JBOPYLDFNZTWLO-NSHDSACASA-N 229.327 2.523 0 40 BFAB Cc1cc(CN2C[C@H](C)Oc3ccccc32)no1 71897395 LVNFEYDGPQCSGX-NSHDSACASA-N 244.294 2.771 0 40 BFAB COc1cc(C(=O)NC(C)C)cc2occc12 72240061 FGJULZJQCNPMPQ-UHFFFAOYSA-N 233.267 2.580 0 40 BFAB Cc1noc([C@@H]2CCN(CC3CCCCC3)C2)n1 72357185 OCLQPTSYJOHDSO-CYBMUJFWSA-N 249.358 2.748 0 40 BFAB Cc1cc2nc(Cl)nc(Cl)c2n1C 73737836 DWGULFZWTSZRDA-UHFFFAOYSA-N 216.071 2.584 0 40 BFAB FC(F)(F)c1ccccc1Cn1cccn1 80341753 CGNSXMZFNVPNSM-UHFFFAOYSA-N 226.201 2.950 0 40 BFAB CC(C)Oc1ccc(-c2ncc[nH]2)cc1 81171995 SHTXUHPSKOHHSK-UHFFFAOYSA-N 202.257 2.864 0 40 BFAB CCOc1cccc2cc(C(=O)OC)oc12 81213614 NFSLBOPJUNQAHM-UHFFFAOYSA-N 220.224 2.618 0 40 BFAB in-vitro Cn1c([C@@H]2CCCCN2)cc2ccccc21 83298772 FWGNXCRWEZGBBT-LBPRGKRZSA-N 214.312 2.993 0 40 BFAB NC1(c2cccc(OC(F)(F)F)c2)CC1 95094321 AQYGGGNCNCMMGR-UHFFFAOYSA-N 217.190 2.533 0 40 BFAB C[C@H](NCCCCN1CCCC1)C1(C)CC1 95420405 XELKHZOQJSGJFZ-ZDUSSCGKSA-N 224.392 2.641 0 40 BFAB Cc1cc(F)ccc1C(=O)C[C@@H](C)CC(=O)O 95634367 SJLKRRILKPHUHS-MRVPVSSYSA-N 238.258 2.818 0 40 BFAB O=C(c1cc(C2CCCC2)no1)N1CCCCC1 96443646 QANUCKNIVGKWSD-UHFFFAOYSA-N 248.326 2.958 0 40 BFAB O=C(O[C@H]1CCc2cccnc21)c1ccco1 189372907 GGKPBULEFKCFRQ-JTQLQIEISA-N 229.235 2.519 0 40 BFAB Cc1ccc(N[C@H]2CCCC[C@@H]2N)c(F)c1 218866982 BEYAYJXCSGJMIU-AAEUAGOBSA-N 222.307 2.816 0 40 BFAB CCOC(=N)c1cccc(Br)c1F 228969769 RDGUENUTRGSFBT-UHFFFAOYSA-N 246.079 2.950 0 40 BFAB CCNC(=O)NCCCc1cc2ccccc2o1 390830030 IHIAAXFAXIZJIC-UHFFFAOYSA-N 246.310 2.685 0 40 BFAB CCc1c[nH]c2ccc(Cl)cc2c1=O 685937924 BDOSGPKNILIJLM-UHFFFAOYSA-N 207.660 2.744 0 40 BFAB O=C(c1cscn1)N1CCC(=C2CCC2)CC1 1775985983 NELOIRAUZKSRBX-UHFFFAOYSA-N 248.351 2.860 0 40 BFAB Clc1ncc2cnn(Cc3ccccc3)c2n1 1857795260 YUFOIOSWYKBWDD-UHFFFAOYSA-N 244.685 2.528 0 40 BFAB Nc1cc2nn(-c3ccccc3)nc2cc1Cl 157516 VQJOWEVCMNYOEK-UHFFFAOYSA-N 244.685 2.656 0 40 BFAB COC(=O)C(C)(C)Oc1ccc(Cl)cc1 162649 UXIVINXAZVEIMC-UHFFFAOYSA-N 228.675 2.670 0 40 BFAB COC(=O)N[C@H]1Cc2cccc3cccc1c23 1710052 OBVVWYGXMSUGKE-LBPRGKRZSA-N 227.263 2.793 0 40 BFAB COCCn1c(=S)[nH]c2cc(Cl)ccc21 3342671 CDZARKBHQKMWFV-UHFFFAOYSA-N 242.731 2.999 0 40 BFAB CC(=O)CCc1ccc(CCC(C)=O)cc1 3844684 SNQGBNAFBMFEFZ-UHFFFAOYSA-N 218.296 2.730 0 40 BFAB biogenic CC(=O)c1cc(-c2ccc(F)cc2)on1 8700495 BIYBDUDVLCUYCI-UHFFFAOYSA-N 205.188 2.683 0 40 BFAB CC(C)c1cccc(NC(=O)[C@H]2CCCO2)c1 12982571 ZPCYTWDWJTTYLP-CYBMUJFWSA-N 233.311 2.928 0 40 BFAB Cc1ccc(C)c([C@@H](NN)c2ccccc2)c1 19388549 HOUMPVPREWRNPH-HNNXBMFYSA-N 226.323 2.856 0 40 BFAB N[C@@H](CN1CCCCCC1)c1ccccc1 19821182 JHRUWBKUZLCAEJ-AWEZNQCLSA-N 218.344 2.562 0 40 BFAB C[C@@H]1CCCCN1Cc1ccc(CN)cc1 21951551 ISQZMUGCUSTZKP-GFCCVEGCSA-N 218.344 2.520 0 40 BFAB in-vitro CONC(=O)c1ccccc1Cc1ccccc1 32848398 SIZYBXMKRRSTEM-UHFFFAOYSA-N 241.290 2.569 0 40 BFAB O[C@@H]1CCCC[C@H]1OCc1ccccc1 34027618 OZOOGFVOCPMNTN-CHWSQXEVSA-N 206.285 2.507 0 40 BFAB O=[S@](O)c1ccc(-c2ccccc2)cc1 34204029 UPCALTUNVMSRNO-UHFFFAOYSA-N 218.277 2.934 0 40 BFAB Cc1ccc(C)c(C(=O)N[C@H](C)C2CC2)c1 39985017 CHFBBLVDDBQLEL-LLVKDONJSA-N 217.312 2.832 0 40 BFAB Cc1nc(C(C)C)sc1C(=O)N1CCCC1 40092821 KQXJFSBBOKHOPQ-UHFFFAOYSA-N 238.356 2.811 0 40 BFAB COc1cc(C)c(-c2ccc(C=O)s2)cn1 40546514 LXPBFHDEHRNNCE-UHFFFAOYSA-N 233.292 2.940 0 40 BFAB C[C@H]1c2ccccc2O[C@@H]1C(=O)N1CCCCC1 40584936 SOPJKQLPXWGEQG-FZMZJTMJSA-N 245.322 2.564 0 40 BFAB CCCC(=O)N1C[C@@H](C)O[C@H](c2ccccc2)C1 41421360 GKLSZOUTWOXCQU-OCCSQVGLSA-N 247.338 2.775 0 40 BFAB Cc1nc(N)cc(Nc2cccc(Cl)c2)n1 49467269 BCJDRBRZWUTMCR-UHFFFAOYSA-N 234.690 2.764 0 40 BFAB CN(C)c1nc(-c2ccccc2)c(C=O)s1 52345254 HGVBOPKWOUTSAI-UHFFFAOYSA-N 232.308 2.689 0 40 BFAB c1ccc(COCc2n[nH]c3ncccc23)cc1 59043422 WCIOJJBNXQTXAA-UHFFFAOYSA-N 239.278 2.675 0 40 BFAB O=C1CCC2(CC1)CN(Cc1ccccc1)C2 59979250 KUMXHNZWUYDLSK-UHFFFAOYSA-N 229.323 2.632 0 40 BFAB in-vitro OCCCCCSc1ncc2ccccn12 72058046 SQLCXZSFYMDOPX-UHFFFAOYSA-N 236.340 2.589 0 40 BFAB CCN(CC)c1ccc([C@@H]2CCCN2C)cn1 72212821 FOQKKGFZDRJLOB-ZDUSSCGKSA-N 233.359 2.695 0 40 BFAB CCOC(=O)c1c(C)n[nH]c1C1CCCC1 72220729 QCMMZFOBWFYUTK-UHFFFAOYSA-N 222.288 2.552 0 40 BFAB CC(C)(C)Sc1ccc(CCO)cn1 72225757 AHCKEVICEQKDIN-UHFFFAOYSA-N 211.330 2.507 0 40 BFAB CSCc1ccc(-n2ccnc2)cc1 78990986 BBUMMKBDAGBSPA-UHFFFAOYSA-N 204.298 2.735 0 40 BFAB O=C(O)Cc1ccccc1OC1CCCC1 87797956 URWGNKNYSDYOLP-UHFFFAOYSA-N 220.268 2.635 0 40 BFAB c1ccc2oc(Sc3ncc[nH]3)nc2c1 95403340 AVJKVDHOEYVARO-UHFFFAOYSA-N 217.253 2.702 0 40 BFAB CC(C)COc1c(F)cc(CCO)cc1F 95732024 IWLUUKBLUNHTLO-UHFFFAOYSA-N 230.254 2.534 0 40 BFAB O=Cc1ccc(F)cc1CN1CCCCC1 95738678 BICAXLCWOZISGE-UHFFFAOYSA-N 221.275 2.624 0 40 BFAB CCC[C@](C)(O)c1ccccc1N(C)C 95739360 ADUAIVSCCDGGHB-ZDUSSCGKSA-N 207.317 2.760 0 40 BFAB CS[C@H]1CCCC[C@@H]1NC(=O)NC1CCC1 98012733 BFVWTHJVGQKKFP-QWRGUYRKSA-N 242.388 2.512 0 40 BFAB Cc1ccc(N2N=C(C(F)(F)F)CC2=O)cc1 100862402 IJXZPNBQRFQWPE-UHFFFAOYSA-N 242.200 2.650 0 40 BFAB CCc1ccccc1C[C@H](C(=O)O)N(CC)CC 107843624 HQGAYOIUGGFPPZ-CQSZACIVSA-N 249.354 2.587 0 40 BFAB Cc1ccc2c(c1)[C@@](O)(C(F)(F)F)CC2 134181651 DQPFBGOHMVHTCD-SNVBAGLBSA-N 216.202 2.691 0 40 BFAB CCCCN1CCC[C@@H]1CCCNC1CC1 218329336 LVQBONBDHHYGJO-AWEZNQCLSA-N 224.392 2.783 0 40 BFAB Cc1ccc(Cl)c2c(NCCCN)ccnc12 222680100 ONOVPJBBZWNNSE-UHFFFAOYSA-N 249.745 2.957 0 40 BFAB COc1ccc(Cn2c(C)cc(CO)c2C)cc1 223700262 JUEOZNVEFITDJL-UHFFFAOYSA-N 245.322 2.654 0 40 BFAB CC(=O)Nc1c(O)cc(C)c(Cl)c1C 238066437 KOGOSXPOTDIQIA-UHFFFAOYSA-N 213.664 2.621 0 40 BFAB CN(C)c1ccccc1C(=O)C1CCC1 382699379 NEFXHVFDFACDKS-UHFFFAOYSA-N 203.285 2.735 0 40 BFAB CCc1cccc(C(=O)C(C)(C)OC(C)=O)c1 575359225 WGMGSJJGGWXTRY-UHFFFAOYSA-N 234.295 2.773 0 40 BFAB Cc1cccc(-c2cnc([C@H]3CCCN3)cn2)c1 616580665 ZQPGZDHMQQILRF-CYBMUJFWSA-N 239.322 2.877 0 40 BFAB Cc1ccccc1N1C[C@H]2C[C@@H]3C=C[C@@]2(C1)O3 1611420 MOBIGVDUZLHQLF-IPYPFGDCSA-N 227.307 2.529 0 40 BFAB CCCCC[C@H]1C[C@@H](O)C=C(C)[C@@H]1C(=O)OC 2105860 WQGFGVARUZYEFH-AVGNSLFASA-N 240.343 2.683 0 40 BFAB C[C@H]1CC(C)(C)NC2=NC(C)(C)CC[C@@H]21 2584395 UIZGCTCJFKGHAI-VHSXEESVSA-N 208.349 2.982 0 40 BFAB CCCCN(C)[C@@H](C)[C@H](O)c1ccccc1 3764916 FJIKJFWKVKMDTN-JSGCOSHPSA-N 221.344 2.840 0 40 BFAB biogenic O=C1NC(=O)/C(=C/c2cc3ccccc3o2)S1 4110180 JMRQNSULIHRDLN-POHAHGRESA-N 245.259 2.757 0 40 BFAB CCCCCO[C@H]1OC(=O)C(Cl)=C1Cl 4411329 LNUIJWDSBDXIBL-VIFPVBQESA-N 239.098 2.765 0 40 BFAB CCN(C(=O)[C@@H]1CCCO1)c1ccccc1C 4815695 UDATYNCUFLSCOZ-ZDUSSCGKSA-N 233.311 2.527 0 40 BFAB CC(=O)[C@]1(c2ccccc2)CCCN(C)CC1 5712669 VSAAQIAFGFUKFJ-HNNXBMFYSA-N 231.339 2.629 0 40 BFAB C(=C/c1ccccc1)\CNCc1ccccn1 8435915 KWJNCXOPDUDQMJ-RMKNXTFCSA-N 224.307 2.885 0 40 BFAB CC(=O)N[C@H](CC(C)C)c1nc2ccccc2[nH]1 9115288 NAQTUSJOIRQDLC-CYBMUJFWSA-N 245.326 2.786 0 40 BFAB CCC[C@@H](C)NC(=O)c1cccnc1SC 12553433 AOXLZCKLJQBXOV-SECBINFHSA-N 238.356 2.722 0 40 BFAB c1ccc2cc(O[C@H]3CCNC3)ccc2c1 14632266 NHCDFQLVPQHUKV-AWEZNQCLSA-N 213.280 2.581 0 40 BFAB CC1(C)CCC[C@@]2(C)[C@H]1CC=C(CO)[C@@H]2CO 15147904 KUTDAKOPPDXZDV-KCQAQPDRSA-N 238.371 2.750 0 40 BFAB biogenic,in-vitro C/C=C/C=C/C(=O)Nc1cccc(NC(C)=O)c1 15421786 ODTIWVBLVISLNR-PRKJJMSOSA-N 244.294 2.716 0 40 BFAB Cc1nn(CC(C)C)c2nc3ccccc3nc12 16266440 PRGFZUIAIHRPRO-UHFFFAOYSA-N 240.310 2.944 0 40 BFAB O=C1Oc2nc3ccccc3cc2CN1C1CC1 19376293 HXCFGHVYBHEWGP-UHFFFAOYSA-N 240.262 2.712 0 40 BFAB Nc1ccc(F)c(NC(=O)c2ccccc2)c1 19736564 OJWSNNNESCSTGB-UHFFFAOYSA-N 230.242 2.660 0 40 BFAB O=C1CC[C@]2(c3ccccc3)CCCC[C@@H]2N1 22339819 XYFGEZKHSOPVRG-ZFWWWQNUSA-N 229.323 2.777 0 40 BFAB O=C(O)c1ccnc2c(C(F)(F)F)cccc12 26460673 QCLHYUOVNZKMJW-UHFFFAOYSA-N 241.168 2.952 0 40 BFAB FC(F)(F)Oc1ccc2c(c1)CCN2 26894134 MRLUMPSIODLMLL-UHFFFAOYSA-N 203.163 2.553 0 40 BFAB CCN1CCC[C@@H]1c1ccc2c(c1)OCCO2 32836172 LQBNGYIZSPKTDW-GFCCVEGCSA-N 233.311 2.615 0 40 BFAB CCN(C(=O)[C@@H](N)CC(C)C)C1CCCCC1 35220767 ISGNKPPDWVUVDE-ZDUSSCGKSA-N 240.391 2.541 0 40 BFAB C[C@H](NC(=O)c1ccncc1)c1ccccc1F 36624217 IWRAJZGNAGPOOU-JTQLQIEISA-N 244.269 2.712 0 40 BFAB COC(=N)c1ccc(C(F)(F)F)cc1 37928063 JNQSYMIOZLXDEP-UHFFFAOYSA-N 203.163 2.677 0 40 BFAB in-vitro C[C@@H](O)CNc1ccnc2ccc(Cl)cc12 41474791 XKNOGPNHMPQLJN-MRVPVSSYSA-N 236.702 2.681 0 40 BFAB CC[C@H](C)NC(=O)N1CCc2sccc2C1 42843565 HAXQOSZISVTNJG-VIFPVBQESA-N 238.356 2.614 0 40 BFAB CC(C)(C)c1ccc2cc(C(N)=O)[nH]c2c1 45883200 ZZZOZJDROAGSPT-UHFFFAOYSA-N 216.284 2.564 0 40 BFAB CCc1nc2ccc(C(C)C)cc2c(=O)[nH]1 57772011 PXAXMCXQSHXEQA-UHFFFAOYSA-N 216.284 2.609 0 40 BFAB CCCCCC[C@H](C)N1CCNC[C@@H]1C 67802991 DWUSIMXKIRNGMX-STQMWFEESA-N 212.381 2.639 0 40 BFAB CC(C)c1ccc([C@H](C)OCCN)cc1 71510648 AJTJBWJSMJWAMI-NSHDSACASA-N 207.317 2.846 0 40 BFAB O=C(C1CCCC1)N1CCC[C@H]1c1ccccn1 72348521 PGKOVJMELXWYBR-AWEZNQCLSA-N 244.338 2.935 0 40 BFAB Nc1ccc2[nH]c(C(F)(F)F)cc2c1 82383442 YGKYREAEEVHLSQ-UHFFFAOYSA-N 200.163 2.769 0 40 BFAB Cc1ccccc1CCCN1CC[C@@H](CCO)C1 84235681 VVXXMIGEWZLUHL-HNNXBMFYSA-N 247.382 2.632 0 40 BFAB O=C(O)[C@H]1C[C@H]2C[C@@H]1C1(C2)SCCCS1 85385490 NQHGJCNDFGOZFI-CIUDSAMLSA-N 244.381 2.684 0 40 BFAB Oc1ccc(-c2nc3ncccc3o2)cc1 96345781 CUEWIYQRPWLLMC-UHFFFAOYSA-N 212.208 2.595 0 40 BFAB Cc1nc(CN[C@@H]2CCCC[C@H]2C(C)C)no1 97163499 ZNJPFFKEJCLXRX-NWDGAFQWSA-N 237.347 2.682 0 40 BFAB O=C(CC[C@@H]1CCCO1)OC[C@H]1CC=CCC1 97213158 AWIUNVJQQPDLIL-STQMWFEESA-N 238.327 2.845 0 40 BFAB CC(C)NC(=O)N1CC[C@H](Cc2ccccc2)C1 98013981 UVECLDMXYCFSDX-CQSZACIVSA-N 246.354 2.669 0 40 BFAB N[C@H]1NC(c2ccc3ccccc3c2)=CS1 100296791 OSHPWAYVLQXRQQ-ZDUSSCGKSA-N 228.320 2.717 0 40 BFAB O=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)c1ccccc1 100791175 OMKJOVVKLPKENU-RTXFEEFZSA-N 215.296 2.605 0 40 BFAB O=C(Cc1cccs1)N[C@H]1C[C@@H]2CC[C@@H]1C2 101682493 ZBVDVQBTTJYKPL-FOGDFJRCSA-N 235.352 2.595 0 40 BFAB CCSc1ccccc1C(=O)NC1CC1 113958837 KKBDTOFZAYFTFW-UHFFFAOYSA-N 221.325 2.691 0 40 BFAB Cc1ncncc1-c1nnc(-c2cccs2)o1 216614777 VMLMMDCMRYPQNT-UHFFFAOYSA-N 244.279 2.564 0 40 BFAB CCCN(c1cc(C)ccc1C)[C@@H](C)C(=O)O 224983055 HDIYXJFNLUABDK-LBPRGKRZSA-N 235.327 2.993 0 40 BFAB Cc1ccc(C(=O)Nc2cccnc2)cc1 32982 RSZXSEGUKBAUIU-UHFFFAOYSA-N 212.252 2.642 0 40 BFAB CC1=CC[C@@H]2CO[C@@H](CN3CCCCC3)[C@H]1C2 1322843 JFVBLVUPDVJWIA-KKUMJFAQSA-N 235.371 2.844 0 40 BFAB Cc1cc(O)cc(C)c1C1=NC[C@H](C)S1 1725062 IOAJNTRDGVMNNT-VIFPVBQESA-N 221.325 2.891 0 40 BFAB CCOC(=O)c1ccn2c1O[C@@H](C)CC2(C)C 1754981 GQLANPYLBDZODH-VIFPVBQESA-N 237.299 2.571 0 40 BFAB O=C(O)c1ccc(OCc2ccccc2)cc1O 1768378 JHMFYEFDCDOWFB-UHFFFAOYSA-N 244.246 2.669 0 40 BFAB in-vitro CC(C)CC(=O)Nc1nnc(-c2ccccc2)o1 1996372 IXAUQZACRXSKQL-UHFFFAOYSA-N 245.282 2.721 0 40 BFAB NCCCOc1c(Cl)cccc1Cl 4109966 FHXLFROUYCVKHK-UHFFFAOYSA-N 220.099 2.721 0 40 BFAB CC(=O)Oc1ccc2[nH]c(C)c(C(C)=O)c2c1 4113391 XDOASOOSRXBBPR-UHFFFAOYSA-N 231.251 2.604 0 40 BFAB CCCSc1nnc2c3ccccc3ncn12 4537015 ICQXBIVUWJTKPN-UHFFFAOYSA-N 244.323 2.780 0 40 BFAB c1ccc(-c2noc(CN3CCCCC3)n2)cc1 8324410 RAVKWEKARDGYPQ-UHFFFAOYSA-N 243.310 2.723 0 40 BFAB Cc1cc(NCCC(=O)O)ccc1Cl 20133731 PGKWNVCEXJCCHP-UHFFFAOYSA-N 213.664 2.535 0 40 BFAB CC(C)(C)OC(=O)c1cc(Cl)ccc1N 20155170 HXRCGHUHOFNRDV-UHFFFAOYSA-N 227.691 2.878 0 40 BFAB C[C@@H](CC(=O)O)c1ccc(F)cc1F 20260004 JROPKMLQQNKNMQ-LURJTMIESA-N 200.184 2.543 0 40 BFAB in-vitro COc1cc(C)ccc1OCC[C@H]1CCCCN1 20593611 ODAFYBHSTRRWIH-CYBMUJFWSA-N 249.354 2.915 0 40 BFAB CCCc1c(-c2ccc(OC)cc2)noc1N 26512471 QMHBYESVUKBPMZ-UHFFFAOYSA-N 232.283 2.885 0 40 BFAB C[C@@H]1c2ccsc2CCN1C(=O)C1CCC1 32781398 PMIDBNBLBJBTGV-SECBINFHSA-N 235.352 2.994 0 40 BFAB Nc1ccc2c(c1Br)C(=O)CCC2 34560609 FWWCXEVWMSEPJD-UHFFFAOYSA-N 240.100 2.550 0 40 BFAB C[C@@H]1CC(=O)C[C@@H](C)N1Cc1ccccc1 34725305 RZABKAGQMPNUFJ-VXGBXAGGSA-N 217.312 2.629 0 40 BFAB in-vitro CCNCc1cccc(OCC(F)(F)F)c1 34816328 LZOBATMRURQPPX-UHFFFAOYSA-N 233.233 2.737 0 40 BFAB Nc1ccc(F)c(C(=O)c2ccccc2)c1 39219470 STDHQJBAEFBIRB-UHFFFAOYSA-N 215.227 2.639 0 40 BFAB C[C@H](Cc1ccco1)NC(=O)CC(C)(C)C 40074726 PZOFYOKWBUCVJF-SNVBAGLBSA-N 223.316 2.763 0 40 BFAB CCN(C(=O)c1ccc(Cl)cc1)C1CC1 40496370 ZLQNTQTULDCDKL-UHFFFAOYSA-N 223.703 2.965 0 40 BFAB Cc1cc(N2CCC[C@@H]2CO)c2ccccc2n1 42434641 DKKYMVOQRIAJGK-GFCCVEGCSA-N 242.322 2.504 0 40 BFAB CCCc1ccc(OC[C@H]2CCNC2)cc1 42773335 FQLZCNQGHZAFJJ-ZDUSSCGKSA-N 219.328 2.627 0 40 BFAB CC(C)[C@@H]1CCCN1C(=O)c1cc(C2CC2)[nH]n1 49095496 CQDHPBSHFRJTCQ-ZDUSSCGKSA-N 247.342 2.548 0 40 BFAB O[C@H]1CCCC[C@H]1NCc1ccc(Cl)s1 51993563 FYANXEZERPROBK-ZJUUUORDSA-N 245.775 2.795 0 40 BFAB CC[C@@H]1CCCCN1Cc1nc(C(C)C)no1 58283214 DJTRACPYZPTPKN-LLVKDONJSA-N 237.347 2.958 0 40 BFAB CCC(C)(C)NC(=O)NC1CCCCC1 59895084 VTGKDHIDKNVWBL-UHFFFAOYSA-N 212.337 2.807 0 40 BFAB CC(C)c1nnc2sc([C@H]3CC34CCC4)nn12 71755296 PGHUVLVTNWQZAC-MRVPVSSYSA-N 248.355 2.967 0 40 BFAB Cc1ccccc1N(C(=O)[C@@H]1CCCO1)C(C)C 71858644 NJVRWPWFOIMKGT-AWEZNQCLSA-N 247.338 2.915 0 40 BFAB CCOC(=O)C[C@H](NC)c1cccc(Cl)c1 72210270 WPUTVECZPUTFEM-NSHDSACASA-N 241.718 2.554 0 40 BFAB CC(C)Nc1ccc([C@@H](N)c2ccccc2)cn1 72225074 TWCOBOAFLHKBMT-HNNXBMFYSA-N 241.338 2.950 0 40 BFAB Cc1ccc(C(=O)c2ccccn2)s1 84007539 PESZFVYHFOPCQE-UHFFFAOYSA-N 203.266 2.683 0 40 BFAB CO[C@H]1CCCCCN1C(=O)OC(C)(C)C 95634874 WKVVLASJYFAZJW-JTQLQIEISA-N 229.320 2.770 0 40 BFAB in-vitro CC(C)CSc1ccccc1CCO 95731625 AYJMIPZEAFMYAV-UHFFFAOYSA-N 210.342 2.970 0 40 BFAB Cc1ccccc1CC1CN(C(=O)[C@@H]2C[C@H]2C)C1 95964640 HPFFZBUQONATJE-IUODEOHRSA-N 243.350 2.652 0 40 BFAB CCSCCOc1ccccc1-c1nc[nH]n1 97046859 KVUFLHMCJNAMSI-UHFFFAOYSA-N 249.339 2.604 0 40 BFAB Nc1ccc(Br)c2ncsc12 98178145 DPFMZNASRLJKNZ-UHFFFAOYSA-N 229.102 2.641 0 40 BFAB CC(C)Cn1nccc1N[C@@H]1CCCSC1 134824464 UHOIPULLMVWJQU-LLVKDONJSA-N 239.388 2.847 0 40 BFAB Fc1ccc(N2CCN[C@@H]3CCCC[C@@H]32)cc1 225712918 BRBMKSIZGUKRRE-KGLIPLIRSA-N 234.318 2.547 0 40 BFAB COc1ccc2cc(C3CNC3)ccc2c1 259196858 KUQLXOOAFXHTNE-UHFFFAOYSA-N 213.280 2.535 0 40 BFAB COc1ccc(Cl)cc1NC(=O)C1CC1 253612 BKTSFYSLHSIWKU-UHFFFAOYSA-N 225.675 2.697 0 40 BFAB c1coc(CNc2nc3ccccc3[nH]2)c1 513005 VVXTVMPZTWGDLF-UHFFFAOYSA-N 213.240 2.768 0 40 BFAB CC[C@@H](C)c1ccc(OC[C@@H](C)O)cc1 1577240 GBRILULHTCGXKY-GHMZBOCLSA-N 208.301 2.960 0 40 BFAB CC(=O)n1nc(C)c(Cl)c1C(F)(F)F 2379322 MWNGKCVYWMWLNB-UHFFFAOYSA-N 226.585 2.524 0 40 BFAB CC(C)C(=O)Nc1ccccc1OC(F)F 2618774 XPSGSOOHEUSZTC-UHFFFAOYSA-N 229.226 2.883 0 40 BFAB CCc1ccc(-c2ccc(C(=O)O)[nH]2)cc1 5471488 RYEWTFYYVUWZNZ-UHFFFAOYSA-N 215.252 2.942 0 40 BFAB C[C@H]1CCCCN1C(=O)/C=C/c1ccco1 6253321 ZGUZPTGJKCGZIJ-AEZGRPFRSA-N 219.284 2.694 0 40 BFAB CC(C)c1nnc(NC(=O)C2CCCC2)s1 8117165 PKRFINLEINPTRQ-UHFFFAOYSA-N 239.344 2.790 0 40 BFAB Cc1ccc(-n2cccc2CO)c(C)c1 8701689 VJSXPSGMRINFDV-UHFFFAOYSA-N 201.269 2.586 0 40 BFAB C[C@H]1C[C@H]1C(=O)Nc1ccc(F)c(F)c1F 15002898 KGRUTMGZAZREQL-NTSWFWBYSA-N 229.201 2.698 0 40 BFAB CCNCc1ccc(OC(F)F)c(OCC)c1 19512303 DMLYRBKIRFLVEX-UHFFFAOYSA-N 245.269 2.796 0 40 BFAB Cc1c(N)cccc1NC(=O)c1ccc(F)cc1 19736253 OHHFGARZEHJKBG-UHFFFAOYSA-N 244.269 2.969 0 40 BFAB Cc1cn2cc(-c3cccc(N)c3)nc2s1 19767213 YOFIWWDWLPAJBB-UHFFFAOYSA-N 229.308 2.953 0 40 BFAB C[C@H]1CCCN(C(=O)c2ccnc(Cl)c2)C1 19813409 PUQGZFKUNICEDQ-VIFPVBQESA-N 238.718 2.607 0 40 BFAB CC[C@@H](C)NCCc1ccc(OC)cc1 19907468 YUFKOMHDGAQBLN-LLVKDONJSA-N 207.317 2.626 0 40 BFAB Cc1ccc(CNCCCOCC2CC2)s1 20191149 ZROQQSJCZOLSML-UHFFFAOYSA-N 239.384 2.963 0 40 BFAB COC(=O)c1cc(-c2cc3ccccc3o2)on1 26421063 WUXRFYWEOGUFDC-UHFFFAOYSA-N 243.218 2.874 0 40 BFAB CCC[C@H](C)C(=O)NCc1ccccc1F 32994780 LKXKESQEOARLQM-JTQLQIEISA-N 223.291 2.878 0 40 BFAB CCN1C(=O)C(=O)c2cc(Cl)cc(Cl)c21 33494291 CBHRMIUSTUUSNH-UHFFFAOYSA-N 244.077 2.543 0 40 BFAB O=C(O)/C=C\c1ccc(Br)s1 33681340 UNAWXLDSXIIUFC-RQOWECAXSA-N 233.086 2.608 0 40 BFAB CC(C)c1nn(Cc2ccccc2)cc1C=O 34961713 TVOPJLFPJSKMMZ-UHFFFAOYSA-N 228.295 2.867 0 40 BFAB COc1ccc2oc([C@@H](C)N)c(C)c2c1 34972322 VZBUUIHOYJYDAX-MRVPVSSYSA-N 205.257 2.770 0 40 BFAB in-vitro O=C(Nc1cccc(F)c1)c1cc(C2CC2)[nH]n1 36392327 RETLFPVRSIIGAA-UHFFFAOYSA-N 245.257 2.679 0 40 BFAB Cc1cc(C(=O)N2c3ccccc3C[C@@H]2C)on1 36697998 LSVCYSNNHWCCBQ-JTQLQIEISA-N 242.278 2.574 0 40 BFAB Cc1cc(C)n(Cc2ccc(Cl)c(N)c2)n1 36964720 CJVHQAJLHSHCRM-UHFFFAOYSA-N 235.718 2.784 0 40 BFAB O=C(O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F 37380706 URRRSJNYUQVDCI-HTQZYQBOSA-N 246.184 2.773 0 40 BFAB in-vitro Cc1ccc(N)cc1C(=O)c1ccccc1 39109087 RQADOEBDTNZYLE-UHFFFAOYSA-N 211.264 2.808 0 40 BFAB Clc1ccccc1CNCCCn1ccnc1 39170042 UEXOSTHHNSNAHY-UHFFFAOYSA-N 249.745 2.716 0 40 BFAB CCN(CC)C(=O)[C@@H](C)Oc1cccc(C)c1 46869924 JNEWLERJDNYLOO-GFCCVEGCSA-N 235.327 2.631 0 40 BFAB CCNC(=O)N1CCC[C@H]1c1cccc(C)c1 48650992 SSAHTJLWFCAMKJ-ZDUSSCGKSA-N 232.327 2.861 0 40 BFAB C[C@@H]([C@@H](C)NCCc1cccs1)n1cccn1 69951286 WZNHZERPRUNSAT-NEPJUHHUSA-N 249.383 2.726 0 40 BFAB CC[C@@H](N)[C@@H]1CCCCN1C(=O)OC(C)(C)C 72208706 CGUGIQIRIKPHDO-MNOVXSKESA-N 242.363 2.513 0 40 BFAB CNc1ccc([C@@H]2CCCN2CC(C)C)cn1 72212480 BJCOIXQBWXAJLI-ZDUSSCGKSA-N 233.359 2.916 0 40 BFAB CC(=O)N1CCC[C@@H]1c1ccc(Cl)nc1C 72217894 YDBSAUGIVZMETL-LLVKDONJSA-N 238.718 2.727 0 40 BFAB O=C(C1CCCCC1)N1C[C@H]2CC=CC[C@H]2C1 89818209 IZTVYDGUJWZZON-OKILXGFUSA-N 233.355 2.991 0 40 BFAB CCC(O)(CC)c1ccc(N(C)C)cc1 95739398 YXLTXZIRISUDGE-UHFFFAOYSA-N 207.317 2.760 0 40 BFAB CCCC(CCC)N[C@@H]1C[C@H](OCC)[C@@H]1OC 97164337 YZAUNVRPQYKWAG-HZSPNIEDSA-N 243.391 2.737 0 40 BFAB CCN(Cc1nnc(C)o1)c1cccc(F)c1 97494573 QACBNGIWSSVNKL-UHFFFAOYSA-N 235.262 2.544 0 40 BFAB CCCc1csc(-c2cnccn2)n1 98012656 WFQITLMGZQPIIL-UHFFFAOYSA-N 205.286 2.553 0 40 BFAB O=C(O)c1ccc2nc(C3=CC=CC3)[nH]c2c1 98074347 VOONPXWODHJXSZ-UHFFFAOYSA-N 226.235 2.604 0 40 BFAB CN(C)c1ccc(-c2ccc(O)c(C=O)c2)cc1 117931889 MXAGUBXJEAQSCV-UHFFFAOYSA-N 241.290 2.938 0 40 BFAB Cc1occc1S[C@@H](C)C(=O)N(C)C(C)C 131305452 NUEYXPQAEGSWHU-JTQLQIEISA-N 241.356 2.935 0 40 BFAB CC(C)(C)OCC(F)(F)C(F)(F)F 145486280 JOQKONRARIIPEQ-UHFFFAOYSA-N 206.154 2.999 0 40 BFAB CC(C)=C[C@@H](C)OC(=O)c1cccnc1 195577074 ZYSSQYWVAVMPCB-SNVBAGLBSA-N 205.257 2.593 0 40 BFAB CCO[C@@H](CCO)c1nc2ccccc2s1 217610785 WGZBCYXXMSQYNF-JTQLQIEISA-N 237.324 2.756 0 40 BFAB CCCNCCO[C@@H]1CC[C@@]12CCC21CC1 242463791 DLJOSLRSVABURD-TZMCWYRMSA-N 223.360 2.725 0 40 BFAB C[C@H](Oc1ccccc1Br)[C@H]1CO1 256050635 FXHLWDFKHHKYTJ-OIBJUYFYSA-N 243.100 2.615 0 40 BFAB CC(C)=C(F)[C@@H]1CC(C)=C(F)[C@@H](O)O1 261828108 AGNVOCRJMUANDV-XVKPBYJWSA-N 204.216 2.601 0 40 BFAB Oc1cnc2ccc(OC(F)(F)F)cc2c1 309399834 SDUDCWSGFIBQEO-UHFFFAOYSA-N 229.157 2.839 0 40 BFAB COc1cc(F)c(F)cc1C(=O)[C@H](C)Cl 382696925 LIFBIIOIMWJZLT-YFKPBYRVSA-N 234.629 2.783 0 40 BFAB C[C@@H](CC(=O)O)n1ccc(-c2ccccc2)n1 408716643 PBWAWMCVUKFZOU-JTQLQIEISA-N 230.267 2.586 0 40 BFAB Oc1cc(Br)c2ccc(F)cc2n1 2362804255 CEHSKYFUMIZYGG-UHFFFAOYSA-N 242.047 2.842 0 40 BFAB O[C@H]1c2ccccc2-c2c(F)cccc21 399311 YXLVWEAKWLCVRC-ZDUSSCGKSA-N 200.212 2.888 0 40 BFAB Nc1nccc(-c2cc3ccccc3s2)n1 1407111 VDEYQSOFDSCWMV-UHFFFAOYSA-N 227.292 2.941 0 40 BFAB NCCCOc1ccc(Cl)cc1Cl 4109965 YVQIPBKNAFAQFF-UHFFFAOYSA-N 220.099 2.721 0 40 BFAB in-vitro C[n+]1ccccc1/C=C/c1ccc(F)cc1 4118330 ILXYMHJAADDWNS-JXMROGBWSA-N 214.263 2.821 0 40 BFAB O=Cc1ccc(N2CCCCC2)c(F)c1 4245519 GONHTSCDEGNOMS-UHFFFAOYSA-N 207.248 2.629 0 40 BFAB C[C@H]1C[C@@H]1C(=O)Nc1ccc2c(c1)CCC2 5611232 DJRKGPMTRJEWCF-ZANVPECISA-N 215.296 2.770 0 40 BFAB Cc1nc2ccccc2nc1NC[C@H]1CCCO1 5697240 CCQYSNYQEQYYKJ-LLVKDONJSA-N 243.310 2.529 0 40 BFAB Clc1cccc(CSc2ncn[nH]2)c1 5737228 NSVABKOQXLDMAX-UHFFFAOYSA-N 225.704 2.750 0 40 BFAB Cc1cc(C)cc(NC(=O)c2cnc(C)cn2)c1 6386892 OZBRLUYQGWKZRV-UHFFFAOYSA-N 241.294 2.654 0 40 BFAB CC[C@@H](C)NC(=O)c1coc(Br)c1 12906157 XXTRBRCFVQAEHW-ZCFIWIBFSA-N 246.104 2.570 0 40 BFAB Cc1cc(NC(=O)NCCC2=CCCCC2)no1 12998041 ONCAOIGSMOJSMD-UHFFFAOYSA-N 249.314 2.995 0 40 BFAB O=Cc1cc(-c2ccc(Cl)cc2)c[nH]c1=O 14000516 AYBNIRLRUVHVMB-UHFFFAOYSA-N 233.654 2.508 0 40 BFAB NC[C@H]1CCCc2c1[nH]c1ccccc21 14988010 JGTWNJYBSOLIHR-SECBINFHSA-N 200.285 2.547 0 40 BFAB Cc1c(N)cccc1N1[C@@H](C)CC[C@H]1C 17957883 NJPMMRMJFJFGMA-AOOOYVTPSA-N 204.317 2.954 0 40 BFAB COCCCNC(=O)c1cc2ccccc2s1 25044526 KIMRAHANRZNAEB-UHFFFAOYSA-N 249.335 2.668 0 40 BFAB OCc1cc(Cl)c(F)c(C(F)(F)F)c1 34597867 MSMIZZFUMCPJCH-UHFFFAOYSA-N 228.572 2.990 0 40 BFAB COc1cccc(S[C@H](C)C(C)=O)c1 35230718 GVMIDHRWIQNRDA-SECBINFHSA-N 210.298 2.765 0 40 BFAB COc1ccc(OC[C@@H](O)c2ccccc2)cc1 37492222 REDPSWQMQWTCNS-OAHLLOKOSA-N 244.290 2.808 0 40 BFAB CC(C)C(=O)NCCSCc1cccs1 40463097 MPDNMJPGBJZWQM-UHFFFAOYSA-N 243.397 2.754 0 40 BFAB CS[C@H](C)C(=O)Nc1ccccc1F 42795323 UZRMKVDSRIBDIS-SSDOTTSWSA-N 213.277 2.516 0 40 BFAB O[C@@H](c1cncc(F)c1)C1CCCCC1 49577110 MVIKMCVCOLTJTA-GFCCVEGCSA-N 209.264 2.834 0 40 BFAB in-vitro C[C@@]1(c2ccc(C(F)(F)F)cc2)CCNC1 51955318 JJMQOZZOHMTPEG-LLVKDONJSA-N 229.245 2.956 0 40 BFAB in-vitro CC(=O)N1CCC[C@H]1c1ccc(=S)[nH]c1C 72218373 IWAQFLWMFNEUKU-NSHDSACASA-N 236.340 2.736 0 40 BFAB CC(=O)c1cc(-c2ccncc2)[nH]c1C 77296803 BIVFNKZXBRUIEA-UHFFFAOYSA-N 200.241 2.588 0 40 BFAB CC[C@H](c1ccccc1)N(CCO)C1CC1 79421159 GGSPMMIVUKYXFJ-CQSZACIVSA-N 219.328 2.594 0 40 BFAB COc1ccc(CN[C@H](C)c2cn[nH]c2C)cc1 89544459 ANOZBVWVNLGIHZ-SNVBAGLBSA-N 245.326 2.578 0 40 BFAB CC(=O)N1CCSC[C@@H]1c1ccc(C)cc1 89632153 YELSLUSXTNWNIB-CYBMUJFWSA-N 235.352 2.631 0 40 BFAB Cc1ccc(-c2nc(C=O)co2)cc1C 90669470 WHCYEAQWWRLBRQ-UHFFFAOYSA-N 201.225 2.771 0 40 BFAB CSc1ccc(CCOC(C)=O)cc1 95729935 VCIHJMFOFWBKDF-UHFFFAOYSA-N 210.298 2.514 0 40 BFAB O=Cc1ccc(COCC2CC2)c(F)c1 95738707 BJQNFTZQKVFSOY-UHFFFAOYSA-N 208.232 2.565 0 40 BFAB CCc1[nH]nc(N[C@H](C)C2CCOCC2)c1C 97037942 TXFOLKQIBFTATH-SNVBAGLBSA-N 237.347 2.508 0 40 BFAB O=C(CC(=O)C(F)(F)F)C1CCCCC1 106655586 ZFUISIKQSVDILD-UHFFFAOYSA-N 222.206 2.657 0 40 BFAB Cc1c(Cl)ccc2c(NCCCN)ccnc12 222679564 DOPRFOPRHWBELS-UHFFFAOYSA-N 249.745 2.957 0 40 BFAB O=C(NCC1=CCCCC1)c1cccs1 223437583 QVGPVTXXGIHWHS-UHFFFAOYSA-N 221.325 2.978 0 40 BFAB Oc1ccc2onc(C(F)(F)F)c2c1 228939076 SIRGERVMEXWKFP-UHFFFAOYSA-N 203.119 2.552 0 40 BFAB CC(C)c1coc(NC(=O)[C@@H]2CCCS2)n1 637635039 ASYOSOVXIROZQD-VIFPVBQESA-N 240.328 2.632 0 40 BFAB C[C@H]1C(=O)O[C@@H](c2ccccc2)C(C)(C)C1=O 194874 UMJRKBNYWMJTJT-SKDRFNHKSA-N 232.279 2.516 0 40 BFAB CCSc1nnc(-c2ccc(C)cc2)n1C 421407 NWZRACKAKIZXIG-UHFFFAOYSA-N 233.340 2.903 0 40 BFAB O=C(O)c1ccc(-c2ccc(C(=O)O)s2)cc1 3851632 JMJBAWYUQLOHNM-UHFFFAOYSA-N 248.259 2.812 0 40 BFAB biogenic Clc1cccc(Cl)c1OC[C@@H]1CO1 4200178 VOYMDUMUZXIMNN-LURJTMIESA-N 219.067 2.771 0 40 BFAB C[C@@H]1COC(Nc2cccc3c2CCCC3)=N1 5160544 RWRDHAQLRPEBTR-SNVBAGLBSA-N 230.311 2.752 0 40 BFAB C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCCc2ccccc21 5442956 QZVGYNJPPGFSHV-DDTOSNHZSA-N 229.323 2.836 0 40 BFAB CCNC(=O)c1ccc(C(C)(C)C)cc1 5456521 VAACBVOESAXQBQ-UHFFFAOYSA-N 205.301 2.734 0 40 BFAB CCCCN(Cc1ccccc1)C(=O)N(C)C 6661685 NXDYSOBNMRUFNF-UHFFFAOYSA-N 234.343 2.970 0 40 BFAB O=C(Nc1onc2c1CCCC2)c1ccccc1 8612312 UXNBDEUEBDRYLO-UHFFFAOYSA-N 242.278 2.806 0 40 BFAB Cc1cccc(NCc2ccc(C(=O)O)o2)c1 8702185 SZXYBVARPBCONB-UHFFFAOYSA-N 231.251 2.898 0 40 BFAB CCOc1ccc([C@@H]2C[C@@H]2[C@@H](C)N)cc1 20392461 VPECJODXZJEBMN-WQAKAFBOSA-N 205.301 2.536 0 40 BFAB CC[C@@H](C(=O)NN1CCCCC1)c1ccccc1 20495406 NDERYXQOFFJSFR-CQSZACIVSA-N 246.354 2.697 0 40 BFAB O=c1[nH]c(-c2ccccc2)cn1-c1ccccc1 27709127 ALGBWUXZUSQIQY-UHFFFAOYSA-N 236.274 2.833 0 40 BFAB COc1ccc([C@H](O)c2ccc(C)o2)cc1 34514277 JSPASXNRZBPUGV-ZDUSSCGKSA-N 218.252 2.678 0 40 BFAB C[C@@H](CNCC(=O)O)c1ccc(C(C)(C)C)cc1 35616590 KISTVFSTSLWWPD-NSHDSACASA-N 249.354 2.762 0 40 BFAB C[C@@H](C1CC1)N(C)C(=O)c1ccsc1 40490153 HQSNEWDSCPVXCA-QMMMGPOBSA-N 209.314 2.619 0 40 BFAB CC[C@H](C)[C@H](C)NCC1(O)CCCCC1 42555164 LMIRCVYVJBRIFY-RYUDHWBXSA-N 213.365 2.706 0 40 BFAB CC[C@H](C)c1ccccc1O[C@@H]1CCNC1 42776227 KJHPKZFUUPNMPR-NWDGAFQWSA-N 219.328 2.941 0 40 BFAB Clc1cccc(NCc2ccccn2)n1 42784040 RFEOADLVLYALOV-UHFFFAOYSA-N 219.675 2.742 0 40 BFAB c1ccc2[nH]c(SC[C@@H]3CCCCN3)nc2c1 43495149 JMMPSJWGRKJVCJ-JTQLQIEISA-N 247.367 2.797 0 40 BFAB C[C@@H](CCNCCn1ccnc1)c1ccccc1 43534312 VUIVOKWHQQARGE-AWEZNQCLSA-N 243.354 2.667 0 40 BFAB Cc1cc(C(=O)NC(C)(C)CC(C)(C)C)[nH]n1 56442708 GSVIYVXRVRKWHP-UHFFFAOYSA-N 237.347 2.663 0 40 BFAB CC(C)N1CCCC[C@H]1c1ccc(O)nc1 72212269 JVPVYEDCUBYHRU-LBPRGKRZSA-N 220.316 2.723 0 40 BFAB C[C@H](Oc1cc2occc2cc1Cl)C(=O)O 72219760 NAJMCRRTFKEUNW-LURJTMIESA-N 240.642 2.938 0 40 BFAB Cc1cc(NCc2cccc(F)c2)no1 83344613 HIKVCYYSRAPMQZ-UHFFFAOYSA-N 206.220 2.734 0 40 BFAB CC(C)(C)c1ccc2oc(=O)cc(O)c2c1 90412938 QYVPFJSASWKPHT-UHFFFAOYSA-N 218.252 2.796 0 40 BFAB Cc1ccc(CN2CC[C@@]3(CCOC3)C2)s1 93820146 RURRNGQKHQMWLR-CYBMUJFWSA-N 237.368 2.669 0 40 BFAB O=C(c1ccc(Cl)c(F)c1)C(F)F 95916289 FTVPVZIHMMGAPO-UHFFFAOYSA-N 208.566 2.927 0 40 BFAB CCCCN1C(=O)Cc2cc(F)ccc21 96026255 GCBXQDPEDTXLIL-UHFFFAOYSA-N 207.248 2.515 0 40 BFAB C[C@@H](NC(=O)c1ccncc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 100384387 QWPBNHGILXSDPW-OXHZDVMGSA-N 244.338 2.636 0 40 BFAB Cc1cc(Nc2cc(F)ccc2C)nc(N)n1 107279696 WZDBRNRUPBXYOD-UHFFFAOYSA-N 232.262 2.558 0 40 BFAB C#Cc1cccc(N(C(=O)O)C(C)(C)C)c1 115058959 PVTHDAIQLMEYDR-UHFFFAOYSA-N 217.268 2.951 0 40 BFAB CCOC(=O)Cc1ccc2occc2c1 145600214 SMGNBDFCFXLARN-UHFFFAOYSA-N 204.225 2.538 0 40 BFAB CN(c1cccnc1)c1cccc(O)c1 206714276 RIFYLJINYJMNMG-UHFFFAOYSA-N 200.241 2.555 0 40 BFAB CC1=NN(c2nccc3sccc23)C(=O)[C@@H]1C 634596322 CENJCBRMAMLRKU-SSDOTTSWSA-N 245.307 2.655 0 40 BFAB Oc1nc2c(F)cccc2c(O)c1CC1CC1 685937340 PVESZEGMTSKBAJ-UHFFFAOYSA-N 233.242 2.738 0 40 BFAB COc1cnc(C)cc1-c1ccc(C)cc1CO 904810033 YVSRNWZYUSEMQP-UHFFFAOYSA-N 243.306 2.866 0 40 BFAB Cc1cc(NC(C)(C)C)n2nc(C)cc2n1 1775967885 FODYEVCMAVIVAN-UHFFFAOYSA-N 218.304 2.557 0 40 BFAB N[C@@H]1C[C@H]1c1ncc(C(F)(F)F)cc1Cl 1857794785 UDDWKFFJOZBNBR-IYSWYEEDSA-N 236.624 2.568 0 40 BFAB CNC(=O)Cc1csc2ccc(Cl)cc12 172234 ONKILPKHIPCROF-UHFFFAOYSA-N 239.727 2.843 0 40 BFAB Nc1ncncc1-c1cccc2ccccc12 1559172 FOGBPOGIYFYHCU-UHFFFAOYSA-N 221.263 2.879 0 40 BFAB COC(=O)c1oc2cc(C)ccc2c1C 2705479 VZCKVTKAEPSBIS-UHFFFAOYSA-N 204.225 2.836 0 40 BFAB FC(F)(F)[C@@H]1C[C@@H](C2CC2)Nc2ccnn21 2766447 LDDDMXZXZTZPGS-YUMQZZPRSA-N 231.221 2.581 0 40 BFAB COc1cccc2c(=O)c3c(oc12)CC[C@@H](C)C3 4973164 ZTZYWTNDURKHGR-SECBINFHSA-N 244.290 2.926 0 40 BFAB N[C@@H](Cc1nc2ccccc2[nH]1)c1ccccc1 5819258 OAPNOGKLWUSRLP-LBPRGKRZSA-N 237.306 2.805 0 40 BFAB Cc1cccc(NC(=O)c2cccnc2Cl)n1 5936126 FMMTWWPEIGAUTE-UHFFFAOYSA-N 247.685 2.691 0 40 BFAB Cc1cc(C(=O)Nc2ccccc2)c(C)n1C 8051601 JWSKZIZJMXQZBG-UHFFFAOYSA-N 228.295 2.894 0 40 BFAB COc1ccc(C2(N)CCCCC2)cc1 11833623 CFTBUCKEQRAUOF-UHFFFAOYSA-N 205.301 2.813 0 40 BFAB in-vitro CC1=N/C(=C/C=C\c2ccccc2)C(=O)O1 12495575 SQIINWMZSDPVND-JWAJRPJHSA-N 213.236 2.559 0 40 BFAB CCCCNC(=O)c1cc(Cl)ccc1O 12987432 ZFUWKRVLVBZJIH-UHFFFAOYSA-N 227.691 2.576 0 40 BFAB C[C@@H](N)Cc1ccc(Cl)cc1Cl 19398941 WFXOKSCQUWGEEH-ZCFIWIBFSA-N 204.100 2.883 0 40 BFAB in-vitro CC(C)N1CCN([C@@H]2CCC[C@H](C)C2)CC1 19626685 LVBUTDHJTGWQAN-UONOGXRCSA-N 224.392 2.591 0 40 BFAB CCOCCN[C@@H](C)c1ccccc1F 35151231 KYBSGUGYSPDDGB-JTQLQIEISA-N 211.280 2.513 0 40 BFAB CN(C)[C@@H](C(=O)O)c1ccc(Cl)cc1Cl 37358445 GAIZNJJLEZFCPM-SECBINFHSA-N 248.109 2.681 0 40 BFAB N[C@H]1C[C@H]1c1ccccc1C(F)(F)F 37381631 BLWIIBGLWOGEQG-CBAPKCEASA-N 201.191 2.520 0 40 BFAB C[C@@H](NC1CCNCC1)c1cccc(Cl)c1 38040655 CDFNMSRVVWCLBS-SNVBAGLBSA-N 238.762 2.743 0 40 BFAB Clc1cc(N2CCc3ccccc32)ncn1 40422360 RSEMHHFXNIKRQH-UHFFFAOYSA-N 231.686 2.824 0 40 BFAB in-vitro O=C(NCc1ccco1)N1CCCCCCC1 40474189 VOXKHLLYWADHCH-UHFFFAOYSA-N 236.315 2.755 0 40 BFAB Cc1ccc(C(=O)N(C)Cc2cc(C)on2)cc1 40505351 VODPLGMBMWZHMO-UHFFFAOYSA-N 244.294 2.564 0 40 BFAB Cc1ccc2c(N)c(Br)ccc2n1 40538022 GFAVHDDQJVFBQS-UHFFFAOYSA-N 237.100 2.888 0 40 BFAB CCNC(=O)c1cc2cc(Cl)ccc2[nH]1 44303324 KKXVPRHGOHGZAP-UHFFFAOYSA-N 222.675 2.571 0 40 BFAB N=C(N)c1ccc(Cl)c(C(F)(F)F)c1 44960031 FRMQJVRGSMOYMI-UHFFFAOYSA-N 222.597 2.643 0 40 BFAB Cc1c2c(nn1-c1cc(=S)[nH]cn1)CCCC2 45918590 RGMXNZBNHWKKIA-UHFFFAOYSA-N 246.339 2.512 0 40 BFAB C[C@H]1C[C@H]1c1ccc(CN(CCCO)C2CC2)o1 51183316 BZHQNDUQWFNPDE-SMDDNHRTSA-N 249.354 2.750 0 40 BFAB C[C@@H](CO)CN(Cc1ccccc1)CC1CC1 55357918 DTDHJTHANKDFAK-CYBMUJFWSA-N 233.355 2.527 0 40 BFAB C[C@H]1C[C@H]1C(=O)NCCC1=CCCCC1 57287875 LEASRAUSZBWTPU-CMPLNLGQSA-N 207.317 2.649 0 40 BFAB CC(C)C(=O)Nc1cccc(CNCC2CC2)c1 66970732 NUKDUAJNCDAJGC-UHFFFAOYSA-N 246.354 2.781 0 40 BFAB Cc1nc(Cl)cc(NCc2ncccc2C)n1 69663123 NJGJKXGIYVYZKY-UHFFFAOYSA-N 248.717 2.754 0 40 BFAB OCC[C@@H]1CCN(c2ccnc3ccsc23)C1 78365160 XLEHDLZBFCTHTR-JTQLQIEISA-N 248.351 2.505 0 40 BFAB Nc1cc(C(F)(F)F)c2ncccc2c1 85221100 OWGZHUXKLHEFJN-UHFFFAOYSA-N 212.174 2.836 0 40 BFAB in-vitro O=C(C[C@@H]1CCc2ccccc21)N1CCCC1 89858076 XBAPVZTXDSUQAJ-ZDUSSCGKSA-N 229.323 2.729 0 40 BFAB CCC[C@@H](NC(C)=O)c1ccc(F)cc1F 89949713 PVDCJQCARBFRQJ-GFCCVEGCSA-N 227.254 2.942 0 40 BFAB Cc1cc(F)c(O)c(Br)c1 90413696 PFMAUMFDMPLSPL-UHFFFAOYSA-N 205.026 2.602 0 40 BFAB C[C@H](NC(C)(C)C)[C@H](C)NC(C)(C)C 95093145 KEPBYALUNVNGRN-UWVGGRQHSA-N 200.370 2.540 0 40 BFAB O=C(O)c1ccc2c(Cl)nnc(Cl)c2c1 95630916 SNEBLHFIZGQKBW-UHFFFAOYSA-N 243.049 2.635 0 40 BFAB O=C(c1cc(F)c(F)cc1F)C1CC1 95731261 IZLAHBYMWKLISC-UHFFFAOYSA-N 200.159 2.697 0 40 BFAB COC(=O)/C=C(\C)CCc1ccccc1 95884059 COLHOBDBQPCZGQ-ZHACJKMWSA-N 204.269 2.739 0 40 BFAB in-vitro CCCc1nnc(NCc2ccccc2OC)o1 95990041 XAZGCAUURLWAHM-UHFFFAOYSA-N 247.298 2.643 0 40 BFAB CC[C@H](O)Cc1ccc(F)c(Cl)c1 96543486 GQZMPFYBESSOJA-QMMMGPOBSA-N 202.656 2.793 0 40 BFAB O=C(c1ccccn1)N1CCC2(CCCC2)CC1 97002416 DHTIPTKEKOZSEI-UHFFFAOYSA-N 244.338 2.878 0 40 BFAB OCc1cc(Cl)c(Br)cc1F 97437803 JHWWXJQJRGMILS-UHFFFAOYSA-N 239.471 2.734 0 40 BFAB CC1(C)[C@H]2CC[C@@]1(C)c1oc(=O)ccc12 100366894 OPMVGRRHQPBJEO-ZANVPECISA-N 204.269 2.815 0 40 BFAB CC[C@H](C)NC(=O)N[C@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 102404166 UIDQXVYENCEMOQ-CLPYTZEMSA-N 238.375 2.909 0 40 BFAB C[C@@H]1CC[C@@]23[C@@H]1C[C@H](C[C@H](O)[C@@]2(C)O)C3(C)C 104097612 FEZBVLJUJBICLN-RQVRSSQJSA-N 238.371 2.581 0 40 BFAB CC(C)(C)CCN1CCC[C@@H]1Cn1ccnc1 188420978 GZNAZHZXSGFMRT-CYBMUJFWSA-N 235.375 2.784 0 40 BFAB CNCc1cccn1-c1ccc(C)cc1C 223680762 PFNXRAVLYOVPDR-UHFFFAOYSA-N 214.312 2.814 0 40 BFAB Brc1ccc2c(c1)NCC=C2 307514717 RRNOFJVGEVYIOY-UHFFFAOYSA-N 210.074 2.888 0 40 BFAB O=S1(=O)c2ccccc2Nc2ccccc21 241316 ZAYUOSICZWFJSW-UHFFFAOYSA-N 231.276 2.576 0 40 BFAB O=C(Oc1ccc2c(c1)OCO2)C1CCCCC1 383787 MHFVYYOVZWBGPY-UHFFFAOYSA-N 248.278 2.901 0 40 BFAB COc1ccc([C@@]2(C)OCC[C@@H](C)O2)cc1 1677998 SAAUIEUMQNCILJ-MFKMUULPSA-N 222.284 2.693 0 40 BFAB CC(C)NC(=O)NC1C2CC3CC(C2)CC1C3 2683996 JOIQWMPLVKXVKP-UHFFFAOYSA-N 236.359 2.519 0 40 BFAB CN(C)c1ccc(C(=O)NC2CCCCC2)cc1 3323605 YIBSFBLGHNJWSU-UHFFFAOYSA-N 246.354 2.815 0 40 BFAB Sc1nnc(COc2ccccc2Cl)o1 5636940 VHRAIEILHYCYLA-UHFFFAOYSA-N 242.687 2.591 0 40 BFAB CC(C)Sc1ncn(-c2ccccc2)n1 6346092 MLAGHILZORFTDV-UHFFFAOYSA-N 219.313 2.768 0 40 BFAB COc1ccc(Cn2cc[nH]c2=S)cc1 13776288 MKYOHTKSEDVAKU-UHFFFAOYSA-N 220.297 2.603 0 40 BFAB in-vitro O=C(NCc1ccc(O)cc1)Nc1ccccc1 15589885 PMHBKSSMPNILRZ-UHFFFAOYSA-N 242.278 2.714 0 40 BFAB CCOc1ccc([C@H](C)NC[C@@H]2CCCO2)cc1 19963693 GWZHNODLZKJLGW-WFASDCNBSA-N 249.354 2.915 0 40 BFAB CCC(CC)NC(=O)c1ccc(Cl)c(N)c1 21961985 WNZPIUCEVLKUJP-UHFFFAOYSA-N 240.734 2.841 0 40 BFAB O=C(C[C@@H]1C=CCC1)Nc1ccc2c(c1)CCO2 27127484 UOBMCIPNJMZPAW-LLVKDONJSA-N 243.306 2.916 0 40 BFAB Clc1nccn2c(C3CCC3)ncc12 33359141 QKTHPZLWERNYEN-UHFFFAOYSA-N 207.664 2.650 0 40 BFAB Sc1cccc(I)c1 34133472 WVAWSDHHTJXNNA-UHFFFAOYSA-N 236.077 2.580 0 40 BFAB Cc1nc(C)c(C(=O)N2CCCCCC2)s1 34511233 BGBGQAUZBIVABI-UHFFFAOYSA-N 238.356 2.776 0 40 BFAB Fc1ccc(OCCC2OCCO2)c(Cl)c1 41298561 LFKWXPKHZIZKLX-UHFFFAOYSA-N 246.665 2.621 0 40 BFAB C[C@H](c1ccc(F)cc1)N1CCC(CN)CC1 44511667 YMZPRRPCAKSMHI-LLVKDONJSA-N 236.334 2.557 0 40 BFAB COc1ccccc1-c1cnc(C=O)s1 45206035 PNKXWVAFVGKCJU-UHFFFAOYSA-N 219.265 2.631 0 40 BFAB Cc1ccccc1OC[C@H](C)NC(=O)C(C)(C)C 55693214 YKOVXMMLCHKZIH-LBPRGKRZSA-N 249.354 2.925 0 40 BFAB C[C@@H]1C[C@H](Sc2ccccc2F)C(=O)O1 65613102 BXCWIZOFEGMQNH-XCBNKYQSSA-N 226.272 2.622 0 40 BFAB CC(C)(C)n1[nH]c(=O)c2ccc(Cl)cc21 67341854 DRKYYPXQFJHCGT-UHFFFAOYSA-N 224.691 2.738 0 40 BFAB CCCn1cc(Br)c(C2CC2)n1 72209418 GOMHKFKQHDFEJB-UHFFFAOYSA-N 229.121 2.933 0 40 BFAB in-vitro NC[C@H](c1ccc(Cl)cc1)C(F)(F)F 82719071 UQOJNFYTIVUHRB-MRVPVSSYSA-N 223.625 2.945 0 40 BFAB Clc1cnc(N2C[C@H]3CC=CC[C@H]3C2)nc1 95406815 VTRUUMDWUOMEEE-AOOOYVTPSA-N 235.718 2.532 0 40 BFAB CC(C)Cn1[nH]c(-c2ccccc2)cc1=N 102793918 NRASWMUMXAOYER-UHFFFAOYSA-N 215.300 2.619 0 40 BFAB COc1cc(N)ccc1N1C[C@H](C)C[C@@H](C)C1 216767667 DISYUOVJHSNSOW-GHMZBOCLSA-N 234.343 2.760 0 40 BFAB COCCCn1cccc1CN1CCCCC1 225309430 QWRIOPNUYMOGFS-UHFFFAOYSA-N 236.359 2.511 0 40 BFAB CC[C@H](C)Nc1ccc(C(=O)NC(C)C)cc1N 225407789 ICFRFSQSBUCCPJ-JTQLQIEISA-N 249.358 2.617 0 40 BFAB COc1cc(F)cc(OC(F)(F)F)c1 306710991 WXLYVYOZZRFORW-UHFFFAOYSA-N 210.126 2.733 0 40 BFAB Oc1ccccc1OC(F)(F)C(F)(F)F 160476 KXSDGHAFJLPUNC-UHFFFAOYSA-N 228.116 2.926 0 40 BFAB Cn1c(Cl)c(C=O)c(C=O)c1-c1ccccc1 1391394 JYWVVGFLHXYNHC-UHFFFAOYSA-N 247.681 2.971 0 40 BFAB O=C(Sc1ncccn1)c1ccc(F)cc1 3076116 YCZHHEPMRHPSBK-UHFFFAOYSA-N 234.255 2.548 0 40 BFAB CCCC(=O)Nc1cc(OC)ccc1C 6263816 UYFYWWFCQRICOO-UHFFFAOYSA-N 207.273 2.742 0 40 BFAB CCOC(=O)c1cnoc1-c1ccc(OC)cc1 8700095 PUTVQIRPIOAQJY-UHFFFAOYSA-N 247.250 2.527 0 40 BFAB CCc1ccc([C@H](O)c2nccn2CC)cc1 9421617 MNJHWZRIUQFARN-ZDUSSCGKSA-N 230.311 2.547 0 40 BFAB Nc1cc(F)ccc1Oc1cccnc1 14629976 MHJLPCRMORFLNR-UHFFFAOYSA-N 204.204 2.595 0 40 BFAB COc1cccc(CNC(=O)c2ccsc2)c1 22638028 UJTFDJSIQRELPZ-UHFFFAOYSA-N 247.319 2.687 0 40 BFAB Cc1ccc(-c2nc3ccccn3c2N)cc1 26420142 TWHFPRWXPPMWOI-UHFFFAOYSA-N 223.279 2.892 0 40 BFAB C[C@@H]1CCCN(C(=O)c2ccsc2)C1 32731159 KRZPIBRRJAQRDI-SECBINFHSA-N 209.314 2.620 0 40 BFAB C[C@H]1CCCCN1Cc1cc(F)ccc1N 35308366 QOOGUNONUAMMDG-JTQLQIEISA-N 222.307 2.782 0 40 BFAB O=C(C[C@@H]1C=CCC1)NCCc1cccc(F)c1 36392857 NBTLIIJKDQLLMA-GFCCVEGCSA-N 247.313 2.841 0 40 BFAB C[C@H](Cc1cccs1)NC(=O)c1ccco1 36396036 CKYXOKWOHKVFLC-SECBINFHSA-N 235.308 2.702 0 40 BFAB CC(C)=CC(=O)N1CCC[C@@H]1c1ccncc1 40493626 FUGNZBOIRGEIFX-CYBMUJFWSA-N 230.311 2.711 0 40 BFAB CCOc1ccc([C@H](C)O)cc1Cl 41210517 IHZGXHLTUNFICP-ZETCQYMHSA-N 200.665 2.792 0 40 BFAB O=c1[nH]c(-c2cccs2)nc2ccsc12 48603504 GFESGQDULHILFG-UHFFFAOYSA-N 234.305 2.713 0 40 BFAB CC(C)N(CCO)Cc1cccc(Cl)c1 49824758 AWHDPRILFYIXJY-UHFFFAOYSA-N 227.735 2.543 0 40 BFAB CCOc1ccc([C@](C)(O)C(C)C)cc1 55191951 YUORVJGVOTUKKN-CYBMUJFWSA-N 208.301 2.949 0 40 BFAB CC(C)N1CCC[C@@H]1c1ccc(S)nc1 72217000 RVLVPNUOKWDHEN-LLVKDONJSA-N 222.357 2.916 0 40 BFAB CO[C@H](C)c1ccc([C@@H](C)C(=O)O)cc1 72220136 VMUCNJMJEDTACK-RKDXNWHRSA-N 208.257 2.582 0 40 BFAB Cc1cc(CCO)cnc1SC(C)(C)C 72222833 CHQXVHLCIVPZMU-UHFFFAOYSA-N 225.357 2.815 0 40 BFAB Cc1nc(Nc2ccccc2)ccc1CO 72224349 SOBWSWOXXBCFKM-UHFFFAOYSA-N 214.268 2.626 0 40 BFAB Cc1cncnc1[C@@H]1CCCN(C2CCCC2)C1 72356812 NPNLWQMPTRRSEP-CYBMUJFWSA-N 245.370 2.907 0 40 BFAB Cc1c[nH]nc1[C@H]1CCCN1C1CCCC1 72356825 NLDXHQFPZZRTNN-GFCCVEGCSA-N 219.332 2.798 0 40 BFAB CCN(CC(=O)O)c1c(C)cc(C)cc1C 76610636 NMNFYJKEAPAWES-UHFFFAOYSA-N 221.300 2.523 0 40 BFAB Cc1cc(NCc2ccc3c(c2)CCO3)no1 83357286 AMGPLOJGNRYSJS-UHFFFAOYSA-N 230.267 2.530 0 40 BFAB COc1ccc(OC)c2c1C(=O)CC2(C)C 84192915 AZFKINVWAOIKAQ-UHFFFAOYSA-N 220.268 2.568 0 40 BFAB NCCc1ccc(Cl)cc1Br 84530247 NAYSLUFYEQVVJI-UHFFFAOYSA-N 234.524 2.604 0 40 BFAB CCN(CC1CC1)C(=O)NCCC(C)(C)C 84774536 YLWHBHCBPJIASX-UHFFFAOYSA-N 226.364 2.864 0 40 BFAB CCOc1cccc(C(=O)CSC)c1 87334187 MJJMXOBOSDTJGA-UHFFFAOYSA-N 210.298 2.631 0 40 BFAB NC1(c2ccccc2OC(F)(F)F)CC1 95094318 JCTKUJKKUFKEJI-UHFFFAOYSA-N 217.190 2.533 0 40 BFAB CCOC1(OCC)C[C@@H]2C[C@H]1[C@@H]1C=CC[C@@H]21 95863160 XPTYNVVWIOVRPP-RVMXOQNASA-N 222.328 2.988 0 40 BFAB Cc1ccnc(NC(=O)N2CCC(C)CC2)c1 96502459 YSYDTCZGBWEPLF-UHFFFAOYSA-N 233.315 2.654 0 40 BFAB CCCOc1c(Cl)csc1C(=O)OC 96510945 DMMFSHAYTLTDFQ-UHFFFAOYSA-N 234.704 2.977 0 40 BFAB O=C(O)c1cc2ccsc2n1CC1CC1 96516319 KKSXOOXWENROGJ-UHFFFAOYSA-N 221.281 2.811 0 40 BFAB Nc1ccc(-c2ccncc2)nc1C(F)F 96529384 HXYQFMGTFANJRS-UHFFFAOYSA-N 221.210 2.663 0 40 BFAB CC1(OC(=O)c2cncc(F)c2)CCCC1 97102388 KSLWOJJZIGIEDY-UHFFFAOYSA-N 223.247 2.710 0 40 BFAB CNC(=O)Nc1sc(-c2ccccc2)nc1C 97107754 UDGUPKQMYNJJCX-UHFFFAOYSA-N 247.323 2.870 0 40 BFAB Cc1cnn(-c2cc(N)cc(C(F)(F)F)c2)c1 116937159 LCAPMONRBSQSKB-UHFFFAOYSA-N 241.216 2.782 0 40 BFAB COC(C)(C)C(=O)N(C)[C@@H](C)c1ccccc1 190604090 WPPYCMXAGNHNLN-NSHDSACASA-N 235.327 2.631 0 40 BFAB CC(C)C[Sn](=O)CC(C)C 195770517 OLDLSRQAQAFQSU-UHFFFAOYSA-N 248.942 2.720 0 40 BFAB O=C1Nc2c(Br)cccc2[C@@H]2C[C@H]12 225812410 VJSSNFSNCVUVLJ-BQBZGAKWSA-N 238.084 2.505 0 40 BFAB Cc1cc(NC(C)C)nc(-c2cccc(N)c2)n1 226103230 HMUCSEWZRGGIQD-UHFFFAOYSA-N 242.326 2.855 0 40 BFAB Cc1nn(CCF)cc1NCc1ccccc1 256049919 BYWXCAAWOZYALH-UHFFFAOYSA-N 233.290 2.773 0 40 BFAB CCn1cc(NCc2cn(C(C)C)nc2C)cn1 256051899 KZCQNXKFDHXJLP-UHFFFAOYSA-N 247.346 2.601 0 40 BFAB COC(=O)c1cccc(C(=O)CC(C)C)c1 258252779 HLDZMCMZMLYHNH-UHFFFAOYSA-N 220.268 2.702 0 40 BFAB N[C@H]1CCc2nc(-c3ccsc3)sc2C1 521398459 HOEXDMBHICRJTF-QMMMGPOBSA-N 236.365 2.688 0 40 BFAB CCc1c(C)[nH]c2cccc(C)c2c1=O 685938751 VZBTYVYKVWQNSD-UHFFFAOYSA-N 201.269 2.707 0 40 BFAB Cc1ccccc1C(=O)O[C@H](C)CN1CCCC1 383080 YVOUZCSKEFXGSC-CYBMUJFWSA-N 247.338 2.636 0 40 BFAB O=C(Nc1nnc(-c2ccccc2)s1)C1CC1 1356177 ZVBAYJIZWXXUJX-UHFFFAOYSA-N 245.307 2.554 0 40 BFAB Brc1ccsc1-c1ccn[nH]1 1390570 GHQQEFVAZIMSDU-UHFFFAOYSA-N 229.102 2.901 0 40 BFAB COc1ccc(-c2nnc(C)c3nocc23)cc1 1397488 UKOMGFGVJPNCGE-UHFFFAOYSA-N 241.250 2.602 0 40 BFAB C[C@@]12CCCC[C@H]1C(=O)C2(Cl)Cl 1618148 STZDLDHQOXCLNP-POYBYMJQSA-N 207.100 2.940 0 40 BFAB CCN(CC)c1ccc([C@@H]2OC[C@@H](C)O2)cc1 1687962 LPYDWCRHMGHNFL-BXUZGUMPSA-N 235.327 2.967 0 40 BFAB CCCCCOC(=O)COc1ccc(F)cc1 1732331 YZBMVXCGSBZNJL-UHFFFAOYSA-N 240.274 2.938 0 40 BFAB COc1ccc([C@H]2CC[C@H](O)C2(C)C)cc1 3850102 BVOUDYVITANVBL-OLZOCXBDSA-N 220.312 2.960 0 40 BFAB biogenic COC(=O)/C=C/c1ccc2c(c1)CCCC2 4742585 FSZKLFLTFYSJPX-VQHVLOKHSA-N 216.280 2.752 0 40 BFAB C[C@@H]1CC[C@]23[C@@H]1C[C@H](CC(=O)[C@@]2(C)O)C3(C)C 5029098 AJNBIBAWHPLSCR-KAILVDNBSA-N 236.355 2.789 0 40 BFAB CC[C@H](N[C@H]1C(C)=Cc2ccccc21)C(=O)O 8730600 TZYIAZFUWMZFBD-STQMWFEESA-N 231.295 2.597 0 40 BFAB Cc1cccc(C)c1NC(=O)CN(C)C(C)C 15440838 DVONYGTXDQIZKF-UHFFFAOYSA-N 234.343 2.582 0 40 BFAB CCCCn1ncc2[nH]c(-c3cccnc3)nc21 19111009 LXEDYSNGCMDRRG-UHFFFAOYSA-N 241.298 2.622 0 40 BFAB CC[C@@H](C)[C@@H](N)CN1CCCCCCC1 20266200 YNWDMNUQHPRGFR-OLZOCXBDSA-N 212.381 2.626 0 40 BFAB COC(=O)c1cc2c(C)cc(C)cc2[nH]1 21950457 YOPFNEMTUZIKJN-UHFFFAOYSA-N 203.241 2.571 0 40 BFAB in-vitro Cc1nc(-c2cccc(Cl)c2)ncc1C(=O)O 22124013 NHLRFLXGYGMGTI-UHFFFAOYSA-N 248.669 2.804 0 40 BFAB CC(C)NC(=O)c1cc(-n2cccc2)ccc1F 32646423 BGFQAAKHYQWXCT-UHFFFAOYSA-N 246.285 2.755 0 40 BFAB O=c1[nH]c2cc(OCc3ccccc3)ccc2o1 34892762 MWQDRPFLFMORFV-UHFFFAOYSA-N 241.246 2.700 0 40 BFAB COc1cccc(OC)c1C(=O)c1cccs1 36942544 KLSMYNFFTDULIP-UHFFFAOYSA-N 248.303 2.996 0 40 BFAB Cc1cnn(-c2cccc(Br)c2)c1 37676729 OBLMLPKXOANXKE-UHFFFAOYSA-N 237.100 2.943 0 40 BFAB in-vitro C[C@H](Cn1cccn1)NC/C=C/c1ccccc1 51790183 IZMROMUNBFBOSZ-VZUFXWRPSA-N 241.338 2.575 0 40 BFAB CC[C@H](C(=O)O)c1ccc(F)cc1F 55237944 YYKCOCOCOMZFDS-ZETCQYMHSA-N 200.184 2.543 0 40 BFAB CC(C)c1ccc(NCC(=O)N2CCCC2)cc1 57211718 KMJQMXUFDNIFIH-UHFFFAOYSA-N 246.354 2.844 0 40 BFAB in-vitro CCc1ccc([C@@H](C)NC(=O)C[C@@H](C)OC)cc1 58210422 ADCRDQNJSQIFSC-VXGBXAGGSA-N 249.354 2.851 0 40 BFAB C[C@H]1C[C@H](Sc2ccccc2F)C(=O)O1 65613105 BXCWIZOFEGMQNH-XVKPBYJWSA-N 226.272 2.622 0 40 BFAB O=C(O)c1ccc2oc(C(F)(F)F)nc2c1 82346369 WNQKTZKJWJTXGI-UHFFFAOYSA-N 231.129 2.545 0 40 BFAB C[C@H](N)c1ccc(Br)c(F)c1 83592984 LISQGUAIGJDDOK-YFKPBYRVSA-N 218.069 2.608 0 40 BFAB C1CCC(Nc2nc(C3CC3)ns2)C1 83652002 TWJKYGXRLFNDJL-UHFFFAOYSA-N 209.318 2.770 0 40 BFAB O[C@H](c1ccccn1)c1ccc(Cl)s1 84193683 JDNVHFOZBVHCEZ-SNVBAGLBSA-N 225.700 2.878 0 40 BFAB CCOC(=N)c1ccc(Br)c(F)c1 89065281 SCBGPZMGHCECEE-UHFFFAOYSA-N 246.079 2.950 0 40 BFAB Cc1csc(CN2C[C@H]3CCC[C@H]3C2)n1 89705585 NNXOBNWONMVWFT-PHIMTYICSA-N 222.357 2.683 0 40 BFAB Nc1ccccc1-c1ccc(Cl)cn1 91362151 OVRZCDASEQJIEK-UHFFFAOYSA-N 204.660 2.984 0 40 BFAB in-vitro COC(=O)c1ccccc1-c1cc(C)ns1 91695992 XVJIBQRZUOONPX-UHFFFAOYSA-N 233.292 2.905 0 40 BFAB COc1ccc(CN(C)CCSC)s1 93509723 FUEPPYAFZVGXPI-UHFFFAOYSA-N 231.386 2.552 0 40 BFAB CC[C@@H](C)Oc1c(C)cc(C(N)=O)cc1C 95095310 FGQLXZDUNUJVLL-SNVBAGLBSA-N 221.300 2.580 0 40 BFAB Cc1cscc1-c1nc([C@@H]2CCOC2)no1 98019190 VURLPEZEHDCHMM-MRVPVSSYSA-N 236.296 2.610 0 40 BFAB CC(=O)C1(C(C)=O)[C@@H]2CC[C@@H]1c1ccccc12 101037470 DUGPNDFKVLESRG-ZIAGYGMSSA-N 228.291 2.826 0 40 BFAB COc1ccc([C@@H](C)Nc2cnn(C)c2)cc1C 157331221 KLMMTWPUBHDROS-LLVKDONJSA-N 245.326 2.910 0 40 BFAB CCc1ccc([C@H](NN)c2ccccc2)cc1 161795634 DBINNAWICFDINE-OAHLLOKOSA-N 226.323 2.802 0 40 BFAB NN[C@@H](c1ccccc1)c1c(F)cccc1F 161806633 YMJSHSLHAQIDOY-ZDUSSCGKSA-N 234.249 2.518 0 40 BFAB NN[C@H]1C[C@@H](c2ccccc2)Oc2ccccc21 198837201 SEIVILKLJUTCRY-ZFWWWQNUSA-N 240.306 2.715 0 40 BFAB CON(C)C(=O)c1ccc(C)c2ccccc12 215762823 IUXISEWXSKUQIM-UHFFFAOYSA-N 229.279 2.782 0 40 BFAB O=C(O)[C@@H]1C[C@@H]1Cc1ccc(Cl)cc1 215944602 HALAZAZTPYNQQS-WCBMZHEXSA-N 210.660 2.603 0 40 BFAB CCCCCNCc1cn(CCC)nc1C 256054033 USABTXWRZSLGQF-UHFFFAOYSA-N 223.364 2.881 0 40 BFAB FC(F)(F)Oc1cccc(-c2cnon2)c1 953061736 GNNZIBVGIJENJO-UHFFFAOYSA-N 230.145 2.635 0 40 BFAB COc1cccc([C@@H]2CCCC[C@H]2O)c1 1765735 MXBZVUAIQKNHIE-QWHCGFSZSA-N 206.285 2.714 0 40 BFAB O=C(Cc1ccccc1)OC1CCCC1 1874301 LZDOONSYVRDDFD-UHFFFAOYSA-N 204.269 2.715 0 40 BFAB CCOC(=O)COc1ccccc1C(C)(C)C 4661864 ZGSKZKUYGQAKDH-UHFFFAOYSA-N 236.311 2.926 0 40 BFAB CCCCOc1ccc(OC)cc1C=O 5597278 FFOPXTXCKNPWPB-UHFFFAOYSA-N 208.257 2.687 0 40 BFAB CCOCCCNCc1ccc(OCC)cc1 6536844 MNIXCPAQVBHDNR-UHFFFAOYSA-N 237.343 2.602 0 40 BFAB NC[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 11888363 VTEAVAKPDJFANZ-LBPRGKRZSA-N 238.762 2.511 0 40 BFAB Oc1ccccc1-c1n[nH]c(-c2ccccc2)n1 13589620 YTGNKUSFDPGOIS-UHFFFAOYSA-N 237.262 2.844 0 40 BFAB Nc1cc(F)ccc1OCC1CCCC1 14629818 IBXHMAVPOSJRER-UHFFFAOYSA-N 209.264 2.977 0 40 BFAB Cc1cc(N)ccc1OC[C@H]1CCCCO1 14630485 ODBCGBIXTCKZAF-GFCCVEGCSA-N 221.300 2.525 0 40 BFAB in-vitro NCc1nc(-c2ccc(Cl)c(Cl)c2)no1 22119758 YHEAOHRYAZTCRB-UHFFFAOYSA-N 244.081 2.502 0 40 BFAB CCOC(=O)CCCc1ccc(C)cc1 34076705 IFPICNZMLOJKRE-UHFFFAOYSA-N 206.285 2.881 0 40 BFAB CCC[C@H](NC(=O)c1cc[nH]n1)c1ccccc1 36393865 XSPZOTRUNZFIQK-LBPRGKRZSA-N 243.310 2.681 0 40 BFAB Nc1ccc(Cl)c(NC(=O)C2CCC2)c1 36737701 WWWFYTWDYZJCFO-UHFFFAOYSA-N 224.691 2.661 0 40 BFAB CCN[C@@H](c1ccc(F)cc1)c1ccccn1 37534491 CUAYFENNZXRDNA-AWEZNQCLSA-N 230.286 2.920 0 40 BFAB in-vitro C[C@H]1C[C@@H](C)CN(C(=O)Nc2nccs2)C1 42652122 TYGHVSXSDWGKSL-DTORHVGOSA-N 239.344 2.653 0 40 BFAB CC[C@@H](CN)Oc1cccc(C(F)(F)F)c1 43541834 OQCKVOZOXALOGP-VIFPVBQESA-N 233.233 2.822 0 40 BFAB in-vitro CCN(CC)C(=O)[C@@H](C)Oc1ccc(C)cc1 46869920 SGPIRKPEDYHCAL-GFCCVEGCSA-N 235.327 2.631 0 40 BFAB CNc1cc(CN(C)Cc2cccs2)ccn1 52720355 CQCVYTHVBIJJNI-UHFFFAOYSA-N 247.367 2.817 0 40 BFAB O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)C1CC1 55274563 GTRRRNMDQVLUAB-IUCAKERBSA-N 235.249 2.634 0 40 BFAB CC1(C)C=CN(c2ccccc2F)C(=S)N1 56656548 YLACHHGMXJSXTL-UHFFFAOYSA-N 236.315 2.813 0 40 BFAB CC(C)CSCc1nnc(C2CC2)n1C 68043297 GKMPOBHRVBVXDK-UHFFFAOYSA-N 225.361 2.582 0 40 BFAB OCCN(Cc1ccsc1)[C@@H]1C=CCCC1 71904895 OBEXPEPOVNTELT-CYBMUJFWSA-N 237.368 2.651 0 40 BFAB Cc1nc(NC(C)(C)C)ccc1[C@@H](C)N 72225018 MZWWVJSVSLDPMJ-MRVPVSSYSA-N 207.321 2.620 0 40 BFAB C[C@H](OC(=O)c1ccoc1)c1nccs1 78975953 HWNZIQIXBDLZPB-ZETCQYMHSA-N 223.253 2.654 0 40 BFAB O=C(O)C1(c2ccc(F)cc2F)CCCC1 80961566 BEFDRJJXJDRECV-UHFFFAOYSA-N 226.222 2.861 0 40 BFAB in-vitro CCCCN1CCC[C@H]1c1noc(C2CC2)n1 84744468 CEDGEAUEOQXFBU-NSHDSACASA-N 235.331 2.884 0 40 BFAB O=C(c1cscn1)N1CCC[C@H]2CCC[C@@H]21 87772033 HPPJLIVZOORYBH-KOLCDFICSA-N 236.340 2.548 0 40 BFAB Cc1c(Br)cc(F)cc1C(=O)O 89064167 AAKUFRPQXGQYHN-UHFFFAOYSA-N 233.036 2.595 0 40 BFAB C[C@@H]1Cc2ccccc2[C@@H]1N[C@@H]1CCO[C@@H]1C 89614124 XPFAXHFIVKNXQW-YIKOMLBNSA-N 231.339 2.687 0 40 BFAB C[C@H]1OCC[C@@H]1SCc1nccs1 95974127 XCYHAGCAVUPFRW-SFYZADRCSA-N 215.343 2.554 0 40 BFAB CC(C)(C)c1ccc(NC(=O)c2ccco2)nn1 96411014 HJHMCFVQSZQSNA-UHFFFAOYSA-N 245.282 2.619 0 40 BFAB CC(C)n1c(C2CC2)nc2c(Cl)ncnc21 96511308 MVMHBBMOZMVWJU-UHFFFAOYSA-N 236.706 2.938 0 40 BFAB COc1ccc2cc(C(=O)O)ccc2c1C 96528001 QYLUUSPFVYKFOQ-UHFFFAOYSA-N 216.236 2.855 0 40 BFAB O=C(Cc1ccc(F)cc1)N[C@H]1C[C@@H]2CC[C@@H]1C2 224522463 DIWWJNQKJPNLED-BZPMIXESSA-N 247.313 2.673 0 40 BFAB CC[C@H](C(=O)O)N(CC)c1cc(C)cc(C)c1 224984466 QFPLKIVXIUJAKZ-CYBMUJFWSA-N 235.327 2.993 0 40 BFAB COc1nc2cc(C(F)(F)F)ccc2cc1N 685938774 XJZDXPJMTDLHKY-UHFFFAOYSA-N 242.200 2.844 0 40 BFAB C[C@@H]1CCC[C@@H](C)N1C(=O)c1cccc(N)c1 129485 AUTUHEFLBFXENV-GHMZBOCLSA-N 232.327 2.672 0 40 BFAB Cc1cc(C)n2c(-c3ccccc3C)nnc2n1 361583 ZXMJGVBQXOZWTK-UHFFFAOYSA-N 238.294 2.717 0 40 BFAB COc1cccc(C(=O)OCCC(C)C)c1O 1574096 JKNTZCUSPDSHMB-UHFFFAOYSA-N 238.283 2.604 0 40 BFAB COc1ccc(C2(O)CCCCC2)cc1 1625435 FLYAGGNZYBWGJK-UHFFFAOYSA-N 206.285 2.847 0 40 BFAB CCN(CC)CCCN1C[C@@H]2CC=CC[C@H]2C1 1682902 NVGQUWPDTMATND-GJZGRUSLSA-N 236.403 2.616 0 40 BFAB Cc1ccc(F)cc1NC(=O)[C@H]1C[C@@H]1C 5698969 FRGJTDTVLSBURU-WPRPVWTQSA-N 207.248 2.729 0 40 BFAB Cc1cc(C)cc(O[C@@H](C)C(=O)NCC(C)C)c1 8050892 UXWGLKZZKIBLBW-ZDUSSCGKSA-N 249.354 2.843 0 40 BFAB CCC(C)(C)NCc1cccc(OC)c1 13718044 XPTKNEVIJKVSRI-UHFFFAOYSA-N 207.317 2.973 0 40 BFAB Cn1nc(-c2cccs2)c2ccccc2c1=O 15514288 MDFRQIPHXVMAPM-UHFFFAOYSA-N 242.303 2.662 0 40 BFAB C/C=C\c1cc(OC)c(OC)c(OC)c1 17147690 RRXOQHQFJOQLQR-WAYWQWQTSA-N 208.257 2.746 0 40 BFAB OC1CCC(NCc2ccc(Cl)cc2)CC1 19918453 FVWZZFNLICGLMQ-UHFFFAOYSA-N 239.746 2.733 0 40 BFAB CC(C)(C)O[C@@H](C(=O)O)c1ccccc1 20506588 YPCKHPPKPKEHMI-SNVBAGLBSA-N 208.257 2.627 0 40 BFAB in-vitro N=C(N)Nc1ccc(Oc2ccccc2)cc1 29133689 VXVZHNGTRYMNIE-UHFFFAOYSA-N 227.267 2.784 0 40 BFAB CCN(C(=O)c1ccc(C)c(C)c1)C1CC1 32760915 LHLZFEXBQWZROF-UHFFFAOYSA-N 217.312 2.928 0 40 BFAB Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cn1 32903802 KHAILMGSZQWCER-PHIMTYICSA-N 232.327 2.508 0 40 BFAB FC1(F)Oc2cc3nc(Cl)[nH]c3cc2O1 34566883 KWEWTSREBGKLDA-UHFFFAOYSA-N 232.573 2.538 0 40 BFAB COc1cccc(SCCC(C)=O)c1 35229076 NCOIBIZHDRGVHC-UHFFFAOYSA-N 210.298 2.766 0 40 BFAB COc1ccccc1[C@H](O)c1cccs1 37464524 BHHXGZIROACXQP-LBPRGKRZSA-N 220.293 2.838 0 40 BFAB O=Cc1cc(F)ccc1OC(F)(F)F 40448532 DLJQIFHQYJCQHB-UHFFFAOYSA-N 208.110 2.537 0 40 BFAB in-vitro CCc1c(C(=O)O)cnn1C(CC)CC 40931583 CMFZSHSSGGFBDL-UHFFFAOYSA-N 210.277 2.505 0 40 BFAB in-vitro Cc1noc(CN2CCC[C@H]3CCCC[C@@H]32)n1 42508612 GOSWMGQZUSIBPG-NEPJUHHUSA-N 235.331 2.533 0 40 BFAB OC[C@H]1C[C@@H]1c1ccc(OC(F)(F)F)cc1 62720166 KVNJHEDVNVVWOD-PSASIEDQSA-N 232.201 2.681 0 40 BFAB Cc1cc(CN(C2CC2)[C@H](C)C(C)C)on1 69485835 SPOPGYQCYMEGQE-LLVKDONJSA-N 222.332 2.992 0 40 BFAB CCc1cccc2c(CCCO)c[nH]c12 71487258 AWXOPJMSBBKYEP-UHFFFAOYSA-N 203.285 2.655 0 40 BFAB COc1cc(C(C)C)c(OC)c2c1OCO2 71618169 HXQQQTKKMOKEJJ-UHFFFAOYSA-N 224.256 2.556 0 40 BFAB C[C@H](c1ccccc1)c1scnc1C(=O)O 75992379 RQKNSKSWPLIPJU-MRVPVSSYSA-N 233.292 2.993 0 40 BFAB CCOC1CCN(Cc2ccsc2)CC1 91679496 OHFAUYREAAPTAF-UHFFFAOYSA-N 225.357 2.749 0 40 BFAB C[C@H]1CCc2nn3ccnc(Cl)c3c2C1 96516368 NRDXLWPKUQARHM-ZETCQYMHSA-N 221.691 2.508 0 40 BFAB OC[C@@H]1CCC[C@@]12CCN(Cc1ccccc1)C2 110915419 RGBDVMIZXARMHK-HOTGVXAUSA-N 245.366 2.671 0 40 BFAB COc1ccc(Cl)c(Cn2cccn2)c1 195579732 QLNIFNYTRKAXTE-UHFFFAOYSA-N 222.675 2.593 0 40 BFAB Cc1ccccc1CNc1nccnc1C 214346531 GLTYVPXUWQZLHV-UHFFFAOYSA-N 213.284 2.706 0 40 BFAB Cc1cc(C)c(C(F)(F)C(=O)O)c(C)c1 220826237 DMDVMNWJSQKUQK-UHFFFAOYSA-N 214.211 2.788 0 40 BFAB Cc1ccc(C)c(-n2cccc2CO)c1 223723756 CCJURCCUHDNOMF-UHFFFAOYSA-N 201.269 2.586 0 40 BFAB Cc1cc(Cl)ccc1-n1cccc1CO 223725331 OIOUSHDUGJAJJE-UHFFFAOYSA-N 221.687 2.931 0 40 BFAB CCCn1cc(CNCc2ccccc2)c(C)n1 256051227 IHTYDLCOZFSZTH-UHFFFAOYSA-N 243.354 2.891 0 40 BFAB FC[C@H]1CCCN(c2cc(C3CC3)ncn2)C1 882804086 RGGDLVFLYVSTIC-SNVBAGLBSA-N 235.306 2.540 0 40 BFAB Fc1cccc(-c2nnc(-c3cccnc3)o2)c1 385520 KNZQZZQWXDSSQE-UHFFFAOYSA-N 241.225 2.938 0 40 BFAB COc1ccc([C@@H](C)NCc2ccccn2)cc1 385598 JINUFJPBUFJVCR-GFCCVEGCSA-N 242.322 2.941 0 40 BFAB C/C(=C\C(=O)Nc1ccc(C)cc1)N1CCCC1 1383444 WCICXYIMCUJLFD-ACCUITESSA-N 244.338 2.933 0 40 BFAB Cc1ccc([C@H]2N[C@H]2C(=O)c2ccccc2)cc1 1557524 JGTSFRSZLJAAST-HUUCEWRRSA-N 237.302 2.891 0 40 BFAB CC(C)CC(=O)CC(=O)Oc1ccccc1 1697026 SGNHORCLZLTIHP-UHFFFAOYSA-N 220.268 2.597 0 40 BFAB COc1ccc(NC2=NC(C)(C)CS2)cc1 3228244 FRUWZSGHJPNFEC-UHFFFAOYSA-N 236.340 2.989 0 40 BFAB COc1cccc(-c2nc3ccccc3n2O)c1 4002462 JWMBBMFHEMDBCG-UHFFFAOYSA-N 240.262 2.949 0 40 BFAB N=C(N)SCc1c(F)cccc1Cl 4014093 AJLZWUZGPRPJLO-UHFFFAOYSA-N 218.684 2.606 0 40 BFAB CCC[C@H](C)C(=O)Nc1ccc(C)c(N)c1 8703526 QFMCJTNYEHGEMU-JTQLQIEISA-N 220.316 2.952 0 40 BFAB CCc1cc2c(=O)[nH]c(C(C)C)nc2s1 8804413 ZQCZOMDZOZVLOQ-UHFFFAOYSA-N 222.313 2.670 0 40 BFAB Cc1nn(C2CCCCC2)c(C)c1C(=O)O 11920460 WPBODDJXYWBGRV-UHFFFAOYSA-N 222.288 2.703 0 40 BFAB Cc1ccc(C(=O)N[C@H](C)C2CC2)c(C)c1 12906922 DPOZHCWKMHTTBL-LLVKDONJSA-N 217.312 2.832 0 40 BFAB CC(=O)c1ccc2oc(C(C)(C)O)cc2c1 13306525 JJKBKOOIAOIYSD-UHFFFAOYSA-N 218.252 2.863 0 40 BFAB biogenic CC[C@H]1CCCCN1C(=O)c1cc(C2CC2)on1 13363673 GSUNKTLHDHCHJY-NSHDSACASA-N 248.326 2.957 0 40 BFAB COC(=O)c1cc(Cc2ccccc2)ccc1O 14988423 IUXLBSOJZDOOQK-UHFFFAOYSA-N 242.274 2.770 0 40 BFAB COc1cc(C(=O)NCc2ccco2)ccc1C 17305042 OHCOICWOQRUARG-UHFFFAOYSA-N 245.278 2.527 0 40 BFAB CCCCCOc1ccc(C(=N)N)cc1 19517708 DTAPEYWGFRAQCN-UHFFFAOYSA-N 206.289 2.540 0 40 BFAB COc1ccccc1[C@H](C)NC[C@H]1CCCO1 19963511 JOWYGUNQOPNQSW-NWDGAFQWSA-N 235.327 2.525 0 40 BFAB CCNC(=O)c1cccc2c(C)c(C)[nH]c12 23130730 LREIPLZYLZHMPN-UHFFFAOYSA-N 216.284 2.534 0 40 BFAB O=C(Nc1cccnc1)C1(c2ccccc2)CC1 23239190 AWLLWLGTZKUYOT-UHFFFAOYSA-N 238.290 2.752 0 40 BFAB CCOc1cc(C(=O)O)ccc1Br 28278264 KTBJPOSCZHJGRM-UHFFFAOYSA-N 245.072 2.546 0 40 BFAB C[C@H](C(=O)N(C)C1CCCCCC1)n1cccn1 32769210 GPJCDDJNAISIML-GFCCVEGCSA-N 249.358 2.625 0 40 BFAB COc1cc(C)c(C)cc1CCCC(=O)O 36161097 HSQMDIICTFCUHM-UHFFFAOYSA-N 222.284 2.719 0 40 BFAB COc1cccc(NC(=O)N(C)[C@@H](C)C2CC2)c1 36395934 LHUUZIJEOUWJSU-JTQLQIEISA-N 248.326 2.957 0 40 BFAB CCn1c([C@H](C)N)nc2cc(Cl)ccc21 37440351 XMINNDFPMGEHTA-ZETCQYMHSA-N 223.707 2.729 0 40 BFAB Cc1cc(=O)c2c(Cl)ccc(F)c2[nH]1 37507574 IPRNVZHMUKLRKA-UHFFFAOYSA-N 211.623 2.629 0 40 BFAB COc1ccc2nc(Cl)c(C)nc2c1 38549198 ZJPLJTSILZVYJC-UHFFFAOYSA-N 208.648 2.600 0 40 BFAB in-vitro COC(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 39151355 VIYVAZNTNNNMHS-BDAKNGLRSA-N 244.212 2.982 0 40 BFAB COc1cccc(NC(=O)c2scnc2C)c1 40529113 GMLHXCOUOBWZCC-UHFFFAOYSA-N 248.307 2.712 0 40 BFAB Cc1ccccc1C(=O)[C@H]1CCC[C@H]1C(=O)O 43878997 JCFJOOWFROHYMP-NWDGAFQWSA-N 232.279 2.679 0 40 BFAB CCCCOc1ccc(C(=O)O)cc1C 54553407 FNSIISYIZQJFMX-UHFFFAOYSA-N 208.257 2.872 0 40 BFAB CC[C@H](C)C(=O)NCCc1ccccc1C 55292680 NZEJTUYSEXHQHD-NSHDSACASA-N 219.328 2.700 0 40 BFAB O=C(NCCc1ccccc1)OCC(F)(F)F 58024660 QARKAUDQKWNUHX-UHFFFAOYSA-N 247.216 2.518 0 40 BFAB CCCCCC[C@H](C)NC(=O)NC1CC1 71795979 NYVZIXMRFYPVCH-JTQLQIEISA-N 212.337 2.807 0 40 BFAB COc1c(CCC(=O)O)cccc1C(F)(F)F 71867273 MVANQFYNQSWMEP-UHFFFAOYSA-N 248.200 2.731 0 40 BFAB Cc1cnccc1NC(=O)c1c(F)cccc1F 71885868 SXDYZHGFUKDOAM-UHFFFAOYSA-N 248.232 2.921 0 40 BFAB COc1ncccc1[C@@H]1CCCN1C(C)C 72211721 ALQWFKHEULFBFN-LBPRGKRZSA-N 220.316 2.636 0 40 BFAB CC[C@@H](N)c1cnc(N(CC)CC)c(C)c1 72222231 HTVGUUPTEWPFKH-GFCCVEGCSA-N 221.348 2.646 0 40 BFAB Cc1nc(OCc2ccccc2)ccc1[C@@H](C)N 72224470 UXQOUMCNKNIUOY-LLVKDONJSA-N 242.322 2.989 0 40 BFAB CC(C)N1CCC[C@H]1c1nccnc1Cl 72343848 OCZCSYJTLTYBMT-VIFPVBQESA-N 225.723 2.675 0 40 BFAB CC(=O)N1C[C@@H](C)Sc2ccccc21 74878739 YGOYDEBWIQZSHX-MRVPVSSYSA-N 207.298 2.534 0 40 BFAB CCCCCN1CCC(c2nc(C)no2)CC1 78774997 RKGYPCLZLKJRHR-UHFFFAOYSA-N 237.347 2.748 0 40 BFAB OCc1c(F)cc(Cl)cc1Br 90413576 HSYSDGNZLXWXCU-UHFFFAOYSA-N 239.471 2.734 0 40 BFAB CCOC(=O)/C=C1/CCc2ccccc21 96301088 KRGWQDMTJGWQFM-LUAWRHEFSA-N 202.253 2.579 0 40 BFAB C[C@@H]1CCc2nn3ccnc(Cl)c3c2C1 96516367 NRDXLWPKUQARHM-SSDOTTSWSA-N 221.691 2.508 0 40 BFAB C[C@H]1CC[C@@H]1COc1ccccc1C=O 96526393 XTLPYPWTMDXPOR-CMPLNLGQSA-N 204.269 2.924 0 40 BFAB C1=C[C@H]2CC[C@H](C1)N2CCN1[C@H]2C=CC[C@H]1CC2 100564386 FCGKQXQBLOTDIG-VGWMRTNUSA-N 244.382 2.572 0 40 BFAB Oc1nc2c(s1)C=Nc1ccccc1N2 100639257 FQVPUUQTGFAENE-UHFFFAOYSA-N 217.253 2.656 0 40 BFAB Cc1ccc2c(c1)CCN(C(=O)[C@@H]1C[C@H]1C)C2 195579994 ORPIDZYVJJRZGX-BXUZGUMPSA-N 229.323 2.536 0 40 BFAB CCCOC1=CC(=O)N(c2ccc(C)cc2)C1 217437133 RBARLDJJFBCCPQ-UHFFFAOYSA-N 231.295 2.652 0 40 BFAB CC(C)(N)CC(C)(C)CNC(=O)OC(C)(C)C 256051551 JPDUXPZMFSPWOE-UHFFFAOYSA-N 244.379 2.665 0 40 BFAB CC[C@H](C)n1ccc(NCc2c(C)cnn2C)n1 256051778 KLQXAMLSUHGTDH-NSHDSACASA-N 247.346 2.508 0 40 BFAB CC[C@H]1CCCCN1c1nnc(C2CC2)o1 336162311 RTXCYOCKLBNWDZ-JTQLQIEISA-N 221.304 2.716 0 40 BFAB COC(=O)c1cc(-c2cc(C)sc2C)on1 1857794063 GPLJKDUBLNRQSR-UHFFFAOYSA-N 237.280 2.807 0 40 BFAB Cc1ccc(/C=C/C(=O)NC(C)C)cc1 226928 XKKCUADTHQRLIX-CMDGGOBGSA-N 203.285 2.533 0 40 BFAB O=C(Oc1ccc2c(c1)OCO2)c1ccccc1 383751 QMGRLEAYWWVZRW-UHFFFAOYSA-N 242.230 2.635 0 40 BFAB Oc1ccc(O)c(Cc2ccccc2)c1 1654158 NEWPHVNFSATQRX-UHFFFAOYSA-N 200.237 2.689 0 40 BFAB O=C(O)c1cc(Cl)cc(Cl)c1S 1662480 NTWYUZIIPPHVBQ-UHFFFAOYSA-N 223.080 2.980 0 40 BFAB CCC(CC)COC(=O)[C@@H]1CCCC[C@H]1O 1697040 OPXHPQYLEJCRNK-VXGBXAGGSA-N 228.332 2.517 0 40 BFAB CCC[C@H](CN(C)C)C(=O)c1ccccc1 1733148 DWCOQCYKJHJUSI-CYBMUJFWSA-N 219.328 2.847 0 40 BFAB CCOc1cc2nc(N)sc2cc1OCC 4205264 LMUXEVKUJYREDK-UHFFFAOYSA-N 238.312 2.676 0 40 BFAB CCc1cccc(CC)c1NC(=O)[C@@H]1CCCO1 5477433 DPHSIWWAKJOAPE-ZDUSSCGKSA-N 247.338 2.929 0 40 BFAB COc1ccc2nc(-c3ccc(N)cc3)[nH]c2c1 5687042 HKZKSLMDWRZRAM-UHFFFAOYSA-N 239.278 2.821 0 40 BFAB aggregator CCOc1cc(CNCC(C)C)ccc1OC 8254334 GNSCAFMFLMZXJX-UHFFFAOYSA-N 237.343 2.840 0 40 BFAB Cc1cc(N)ccc1N1[C@@H](C)CC[C@@H]1C 8701405 DYDIERCDZVCGKM-QWRGUYRKSA-N 204.317 2.954 0 40 BFAB CC(C)(C)c1cc(=O)[nH]c(Nc2ccccc2)n1 9264658 NHZIREUQBPPTQW-UHFFFAOYSA-N 243.310 2.811 0 40 BFAB C[C@@H]1OC(C(Cl)(Cl)Cl)O[C@@H]1C 12402966 XPVRYPSUEFTEKE-NGQZWQHPSA-N 219.495 2.507 0 40 BFAB Cc1ccc(CCC(=O)N2CCCCC2)cc1 13608586 STMJUXMTHZLLSD-UHFFFAOYSA-N 231.339 2.940 0 40 BFAB Cc1ccc(OC[C@@H]2CCCCO2)c(N)c1 14629577 FETKKQIWHQYOCB-NSHDSACASA-N 221.300 2.525 0 40 BFAB Cc1cc(NC(=O)c2cc(F)cc(F)c2)ccn1 15544140 WRPHSLLLDOGAPP-UHFFFAOYSA-N 248.232 2.921 0 40 BFAB Clc1ccnc(Nc2ccccc2)n1 19801030 GNFKGFRWERSGIY-UHFFFAOYSA-N 205.648 2.874 0 40 BFAB CC(C)[C@@H]1OCCN1[C@@H](C)CCCC(C)(C)O 19947191 RDSYFMCJZMLINT-STQMWFEESA-N 243.391 2.630 0 40 BFAB Cc1cc(N(C)CCC(=O)O)ccc1Cl 20133787 HFWVFDSXYMZXRM-UHFFFAOYSA-N 227.691 2.559 0 40 BFAB Nc1cc(NC(=O)C2CCCC2)ccc1F 20157437 SWDPRNCFJSLZRD-UHFFFAOYSA-N 222.263 2.537 0 40 BFAB OC1=Nc2n[nH]cc2[C@H](c2ccccc2)C1 20719779 LCNRMORZSYWTKS-VIFPVBQESA-N 213.240 2.533 0 40 BFAB CC(C)c1n[nH]c(SCC(=O)C(C)(C)C)n1 21113212 HEFOBZISWAXMSN-UHFFFAOYSA-N 241.360 2.635 0 40 BFAB COc1cc(F)ccc1NC(=O)C1CCC1 25309825 PJHMYIXOMVSGPH-UHFFFAOYSA-N 223.247 2.573 0 40 BFAB C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)NCC2CC2)o1 27467288 GZZFZYWRWCYFPS-XWZPVZHOSA-N 245.322 2.942 0 40 BFAB Cc1ccsc1C(=O)Nc1c(C)nn(C)c1C 27927197 SSBVGMHUACXAPE-UHFFFAOYSA-N 249.339 2.659 0 40 BFAB CC1=C(C)[C@H]2C(NCC(C)C)=NC=N[C@H]2S1 28616876 RAARFHHCJIEQNK-JQWIXIFHSA-N 237.372 2.655 0 40 BFAB CCC(=O)Nc1cc(C)nn1-c1cccc(C)c1 32736027 DJZYHRSOKUVUQG-UHFFFAOYSA-N 243.310 2.838 0 40 BFAB Cc1ccc(C(=O)N[C@H](C)c2ccc(C)o2)cn1 32898796 RHHLZCSLLGTNMG-LLVKDONJSA-N 244.294 2.782 0 40 BFAB O=C(CC1CCCC1)N1CCCCCC1 33018937 QJWQUUUZCFOROM-UHFFFAOYSA-N 209.333 2.969 0 40 BFAB CCCCOc1ccc(OC)cc1C(=O)O 37022385 ZLUIRQYUHYRRIE-UHFFFAOYSA-N 224.256 2.572 0 40 BFAB C[C@@H](O)c1cccc(C(=O)c2ccccc2)c1 39395632 VIGLCJZNAGRKFZ-LLVKDONJSA-N 226.275 2.971 0 40 BFAB in-vitro Cc1ccc(C(=O)NCc2nc(C)cs2)cc1 41528786 LRBRXIBTMDCGLX-UHFFFAOYSA-N 246.335 2.690 0 40 BFAB O=C(O)c1ccc(-c2cn3ccccc3n2)cc1 45921976 AHJHOESKCGHHPR-UHFFFAOYSA-N 238.246 2.700 0 40 BFAB CCCC(=O)N[C@@H](C)CCc1ccco1 47741118 JXBGCDGKJMLMDV-JTQLQIEISA-N 209.289 2.517 0 40 BFAB Nc1nnc([C@H]2CCCc3ccccc32)s1 54669267 UEVINPKTSLZDPR-JTQLQIEISA-N 231.324 2.589 0 40 BFAB in-vitro CC1(C)C=CN(c2ccc(F)cc2)C(=S)N1 56656560 RYTFVWUDBSGFKX-UHFFFAOYSA-N 236.315 2.813 0 40 BFAB Cc1noc(C)c1NC(=O)NCc1ccccc1 60208356 MTBKRPZDNCJQLC-UHFFFAOYSA-N 245.282 2.613 0 40 BFAB CCN(C(=O)C(C)C)c1ccc(F)cc1 70243142 PJYACGNDCNSGPJ-UHFFFAOYSA-N 209.264 2.835 0 40 BFAB C[C@H]1CCCCCN1C(=O)c1cccc(N)c1 70407718 LVQHWDNJBMOXJK-NSHDSACASA-N 232.327 2.674 0 40 BFAB CC(C)N1CCC[C@H]1c1ccc(N(C)C)nc1 72212596 KMYVJJVCVBFYBP-ZDUSSCGKSA-N 233.359 2.693 0 40 BFAB COc1ccc([C@@H]2CCCCN2C(C)=O)cc1 72221528 XGBLYTQKGRHAKZ-AWEZNQCLSA-N 233.311 2.769 0 40 BFAB CC[C@@H](N)c1ccc(NC(C)(C)C)nc1 72225838 BXDYBZNKINEUEH-SNVBAGLBSA-N 207.321 2.702 0 40 BFAB Nc1cnc2ccc(OCC(F)(F)F)cc2c1 72226635 UZWPSLFNRJDURC-UHFFFAOYSA-N 242.200 2.758 0 40 BFAB CC[C@@H](N)COCc1cc(C)ccc1C 74530292 BKUPMKZDFDQDQM-CYBMUJFWSA-N 207.317 2.557 0 40 BFAB C[C@@H](NCCSC(C)(C)C)c1cnn(C)c1 89516303 XFCZNLQQLDVHJK-SNVBAGLBSA-N 241.404 2.602 0 40 BFAB Cn1cccc1[C@@H](O)c1cc(F)c(F)c(F)c1 95727932 LXYYICMDEILBHN-LBPRGKRZSA-N 241.212 2.524 0 40 BFAB CCOC1(OCC)C[C@@H]2C[C@H]1[C@H]1C=CC[C@@H]21 95863159 XPTYNVVWIOVRPP-CYDGBPFRSA-N 222.328 2.988 0 40 BFAB c1cn(CCSCC2CCCC2)cn1 95940645 NSWYVWCHUANFSS-UHFFFAOYSA-N 210.346 2.807 0 40 BFAB CCOCCn1ccc(-c2ccsc2)n1 97082516 FKWPEAQPMVBWEY-UHFFFAOYSA-N 222.313 2.648 0 40 BFAB Cc1cc(-c2nnc[nH]2)ccc1Br 113225015 FDERMDFQPSEUMV-UHFFFAOYSA-N 238.088 2.543 0 40 BFAB Cc1ccc(N2CCN[C@H]3CCC[C@H]32)c(C)c1 218845650 OAUPNICRQQYBGA-DZGCQCFKSA-N 230.355 2.634 0 40 BFAB C[C@H](Oc1cccc(Br)c1)[C@@H]1CO1 256053373 RDXVBICGWDNSOB-XVKPBYJWSA-N 243.100 2.615 0 40 BFAB Cc1cn(C)nc1NCc1cc(F)cc(F)c1 256053418 RKEKGLPEXAULMK-UHFFFAOYSA-N 237.253 2.619 0 40 BFAB C[C@](O)(c1cnccc1Cl)C(F)(F)F 256054786 XTRIPKOKHKELCS-ZETCQYMHSA-N 225.597 2.505 0 40 BFAB CCCCN(CC1OCCO1)c1ccccc1 408729794 DBVRBNOTAJUIQC-UHFFFAOYSA-N 235.327 2.666 0 40 BFAB COc1cccc2c1N=C1OC=C[C@H]1[C@H]2OC 113334 LTDBEQPXTVWIGW-CABZTGNLSA-N 231.251 2.586 0 40 BFAB O[C@@H](c1ccco1)c1nccc2ccccc12 564646 HAOHDEQITLWMIZ-AWEZNQCLSA-N 225.247 2.910 0 40 BFAB O=COCc1ccc(Cl)cc1Cl 1597456 PZOSAFCWZRMFHO-UHFFFAOYSA-N 205.040 2.666 0 40 BFAB CCC[C@@H](C(=O)OCC)[C@@H](C)OC(=O)OCC 1684886 TWARFOBPXLKSSL-NXEZZACHSA-N 246.303 2.527 0 40 BFAB O=C(O)CCC(=O)c1cc2ccccc2s1 1692661 YLQXTWUMTGDFKI-UHFFFAOYSA-N 234.276 2.949 0 40 BFAB Cc1cccc(-n2cnc3c(Cl)ncnc32)c1 1730948 GRBLVJWBUBUGGI-UHFFFAOYSA-N 244.685 2.777 0 40 BFAB Nc1ccccc1S[C@@H]1CCCC[C@@H]1O 1843179 LLKIGPGOZQEUOL-CMPLNLGQSA-N 223.341 2.664 0 40 BFAB CNC(=O)OCc1ccc(Cl)c(Cl)c1 2039065 DSVOTYIOPGIVPP-UHFFFAOYSA-N 234.082 2.849 0 40 BFAB CC1=C[C@@H](C)[C@H](CNCCCN(C)C)[C@H](C)C1 4612810 TZIMJQBDMVLZIZ-KFWWJZLASA-N 238.419 2.766 0 40 BFAB Cc1ccc(NC(=O)CC(C)(C)CC(=O)O)cc1 4699877 WNWHAIKCIHDFRT-UHFFFAOYSA-N 249.310 2.825 0 40 BFAB Cc1ccc(COc2ccccc2C(N)=O)cc1 5346732 GOFOEBCWMIJWIN-UHFFFAOYSA-N 241.290 2.673 0 40 BFAB CCc1ccc(NC(=S)NC2CC2)cc1 7529085 DWZGLWUYLSMELF-UHFFFAOYSA-N 220.341 2.698 0 40 BFAB CCc1cccc(C)c1NC(=O)CCC(C)=O 8723324 AMKPIROMHIQKAN-UHFFFAOYSA-N 233.311 2.865 0 40 BFAB COC[C@H](C)NC(=O)c1ccc2ccccc2c1 10109371 IQBJVTBGQILHDJ-NSHDSACASA-N 243.306 2.605 0 40 BFAB C[C@H](CNC(=O)c1ccncc1)c1ccccc1 12982289 KUMDDXSACSWWBG-GFCCVEGCSA-N 240.306 2.615 0 40 BFAB Cc1ccc(O)c(C(=O)N2CCCCCC2)c1 12998435 OQMVQKWJLOLVFS-UHFFFAOYSA-N 233.311 2.717 0 40 BFAB CCOC(=O)NC(=N)SCc1ccccc1 16953027 OPVOHAPXWMRXNE-UHFFFAOYSA-N 238.312 2.601 0 40 BFAB Fc1ccccc1CNc1cccnc1 19884505 MGPFKTUNJZNWDK-UHFFFAOYSA-N 202.232 2.833 0 40 BFAB Cc1nc(NCCC(C)C)sc1C(=O)O 20156574 GKOMRNQWRBZEGM-UHFFFAOYSA-N 228.317 2.608 0 40 BFAB CC[C@@H](C)C(=O)Nc1cc(C)c(C)cc1N 20157530 JWUBRPWVQRYJHJ-MRVPVSSYSA-N 220.316 2.870 0 40 BFAB Nc1ccc(-n2cc(Cl)cn2)c(Cl)c1 20351936 ONHREOFASQAVIM-UHFFFAOYSA-N 228.082 2.761 0 40 BFAB COc1ccc(C2N=NC(=S)N=N2)cc1 27027781 NUWCQGYUERPZQP-UHFFFAOYSA-N 220.257 2.897 0 40 BFAB C[C@@H](N(C)C(=O)c1ccccn1)C(C)(C)C 32788098 AJGMHVYCONKNIU-SNVBAGLBSA-N 220.316 2.588 0 40 BFAB C[C@@H]1Oc2c(C(=O)N3CCCC3)cccc2[C@H]1C 32820038 AQICUQZJCACHLG-QWRGUYRKSA-N 245.322 2.807 0 40 BFAB c1cncc(Oc2ncnc3ccsc23)c1 32853463 KRGJIDFJSLZWAA-UHFFFAOYSA-N 229.264 2.879 0 40 BFAB Nc1nsc2ccc(C(F)(F)F)cc12 33994287 QXLQNGWZNIONGL-UHFFFAOYSA-N 218.203 2.897 0 40 BFAB CCOC(=O)CCOc1ccc(F)c(Cl)c1 36668832 XXQKWDLTCFNOAE-UHFFFAOYSA-N 246.665 2.811 0 40 BFAB O[C@@H](c1cccc(F)c1)c1cccs1 37464520 SDKVRGOGKKTBJR-NSHDSACASA-N 208.257 2.969 0 40 BFAB C=CC(=O)N1CC[C@H](C)[C@H]2CCCC[C@H]21 37831128 IWHQRAYKFVECER-QJPTWQEYSA-N 207.317 2.600 0 40 BFAB Cc1ccc(NC(=O)NCC(C)C)cc1F 40098037 RSKVLKYQGHOTRO-UHFFFAOYSA-N 224.279 2.912 0 40 BFAB COc1ccc([C@@H](O)c2ccc(C)o2)c(OC)c1 40248129 ZVJPNWQCZNPESD-CQSZACIVSA-N 248.278 2.687 0 40 BFAB COC(=O)c1cc(N)ccc1NC1CCCCC1 41079703 GYOZRSXGMJZTGA-UHFFFAOYSA-N 248.326 2.800 0 40 BFAB COc1c(Cl)cc(Cl)cc1/C=C/C(N)=O 44278565 JCECBZPRWVMTAD-NSCUHMNNSA-N 246.093 2.501 0 40 BFAB Cc1ccc(C(=O)c2ccc(C)cn2)cc1 45028530 MKEDICIWPZWNIN-UHFFFAOYSA-N 211.264 2.929 0 40 BFAB CCCS(=O)(=O)Nc1cccc2ccccc12 45929343 GHXRSHHNBJZLEY-UHFFFAOYSA-N 249.335 2.992 0 40 BFAB CC[C@@H]1CCCN(Cc2nc(C(C)C)no2)C1 48058754 YIPLJSUKJYBWOC-LLVKDONJSA-N 237.347 2.815 0 40 BFAB CCSc1nc2ccsc2c(=O)n1CC 58657054 LQIANFBNHVBFCL-UHFFFAOYSA-N 240.353 2.590 0 40 BFAB CCOC(=O)c1cn[nH]c1CCC1CCCC1 71980882 JCKGUKSFNSCFEG-UHFFFAOYSA-N 236.315 2.709 0 40 BFAB C[C@H](N)c1ccc(SC(C)(C)C)nc1 72225748 YWWBLQUWDCGGQX-QMMMGPOBSA-N 210.346 2.992 0 40 BFAB CCN(CC)C(=O)Cc1cc(C)ccc1C 74959589 OVVKUSVVCYTQAW-UHFFFAOYSA-N 219.328 2.714 0 40 BFAB Cc1ccc(CNc2cccnc2C)o1 85711643 LYDNSMOVJCIXOY-UHFFFAOYSA-N 202.257 2.904 0 40 BFAB O=C(O)CN1CCC[C@H]1CCCc1ccccc1 89830494 PZVMFIJXIYYQAZ-CQSZACIVSA-N 247.338 2.558 0 40 BFAB c1ccc(-c2nc([C@@H]3CCCCCN3)no2)cc1 95348338 LPZDBSZDXBVBTQ-LBPRGKRZSA-N 243.310 2.941 0 40 BFAB in-vitro CCSCC[C@H](C)NC(=O)C[C@H]1C=CCC1 96433055 FLDPAJHHNSCHFE-RYUDHWBXSA-N 241.400 2.991 0 40 BFAB COc1ccc(OC)c2c1[C@@H]1C=C[C@@H]2C1 100936245 DQJLQTJXZMEMBV-RKDXNWHRSA-N 202.253 2.845 0 40 BFAB CCOC(=O)c1ccc(-n2cccc2)c(C)c1 144030026 XWYUHSKPLKBOID-UHFFFAOYSA-N 229.279 2.962 0 40 BFAB O=C(CCC(F)(F)F)N1C[C@@H]2CCC[C@H]2C1 152392472 CMONFOCYWUQYKL-IUCAKERBSA-N 235.249 2.587 0 40 BFAB Cc1ccnc(Nc2ccc3c(c2)OCO3)c1 199811179 LORIXZHTGWUIPN-UHFFFAOYSA-N 228.251 2.862 0 40 BFAB Cc1nc(OC2CCCCC2)c(C(=O)O)s1 218268262 AXZNQWATVJZFIV-UHFFFAOYSA-N 241.312 2.861 0 40 BFAB CCO[C@H](Cc1ccc(C(C)C)cc1)C(=O)O 225047018 VZYKQWKOOSYJEF-CYBMUJFWSA-N 236.311 2.842 0 40 BFAB CCCn1c(C=O)cc(Br)c1C 225299710 NMURKEPURDYRIG-UHFFFAOYSA-N 230.105 2.782 0 40 BFAB CCCCn1ncc(Br)c1COC 408716568 OJAVWSCMUMGIOL-UHFFFAOYSA-N 247.136 2.592 0 40 BFAB Cc1cccc(OCC(=O)n2nc(C)cc2C)c1 142027 ITZWQDIQCHDNSG-UHFFFAOYSA-N 244.294 2.528 0 40 BFAB COC(=O)c1ccc(-c2ccc(F)cc2)nc1C 340711 QVFUAYVAEHAYQF-UHFFFAOYSA-N 245.253 2.983 0 40 BFAB Cc1cc(C)nc(S[C@@H]2CCCCC2=O)n1 355796 MSIRLUVYEBJJQC-LLVKDONJSA-N 236.340 2.697 0 40 BFAB CCOC(=O)Oc1ccc(Br)cc1 1601867 IMKGSAHKEALWJH-UHFFFAOYSA-N 245.072 2.984 0 40 BFAB CCCCCC(=O)Nc1ccccc1C(=O)OC 2057649 JLMDQQGDTMDVIL-UHFFFAOYSA-N 249.310 2.992 0 40 BFAB O=C(c1ccccc1)c1ccc(Cl)nc1 2383339 VYBSRFYWXHOQFR-UHFFFAOYSA-N 217.655 2.966 0 40 BFAB Cn1c(=O)c(Cl)c(Cl)c2ccccc21 2551883 ZQOBVFQRVGHVRU-UHFFFAOYSA-N 228.078 2.845 0 40 BFAB O=C(Cc1cccs1)NCC1CCCCC1 3357108 OKTOQKZXAMHOHQ-UHFFFAOYSA-N 237.368 2.987 0 40 BFAB CC(C)NC(=O)c1cc2ccccc2cc1O 9499958 SZROYGJENDVJOE-UHFFFAOYSA-N 229.279 2.684 0 40 BFAB Cc1ccccc1[C@@H]1CC(=O)c2cn[nH]c2C1 10156790 WTNMYJZHMMPJMG-JTQLQIEISA-N 226.279 2.631 0 40 BFAB Cc1csc(NC(=O)C[C@@H]2C=CCC2)n1 10554954 AYNLGJUYYGNMHR-SECBINFHSA-N 222.313 2.746 0 40 BFAB C/C=C\C(=O)N(CC)c1ccccc1C 12503076 DNTGGZPQPQTDQF-YWEYNIOJSA-N 203.285 2.924 0 40 BFAB fda CCOc1cc2c(cc1NC(=O)CC)O[C@@H](C)C2 12953253 SOSTVNDFNFLJMN-VIFPVBQESA-N 249.310 2.757 0 40 BFAB O=C(Nc1ccc(F)cc1)Oc1ccccn1 13283715 OTCUTZXUJOZRLU-UHFFFAOYSA-N 232.214 2.832 0 40 BFAB O=C(NCc1ccsc1)c1ccc(F)cc1 13698104 RDYDXGWWGGYETG-UHFFFAOYSA-N 235.283 2.817 0 40 BFAB CCCCNC(=O)N1[C@@H](C)CCC[C@H]1C 17950356 MHRXYYPTQNFXTH-PHIMTYICSA-N 212.337 2.759 0 40 BFAB CCC[C@@H](C)NCc1ccccc1OC 19903300 CZZDRLAMLAGBOO-LLVKDONJSA-N 207.317 2.973 0 40 BFAB c1ccc2nc(NC[C@H]3CCCO3)ccc2c1 21818416 YXFHDYRZUBPHNG-GFCCVEGCSA-N 228.295 2.826 0 40 BFAB CCCn1nccc1C(=O)Nc1ccc(F)cc1 28222339 BXCDJMWCNSUGFL-UHFFFAOYSA-N 247.273 2.685 0 40 BFAB CC[C@H](C)C(=O)N(Cc1ccccn1)C1CC1 32904014 DKVJXLNHWCCVMS-NSHDSACASA-N 232.327 2.619 0 40 BFAB CC(C)(C)Oc1cccc(N2CCCNCC2)c1 35298507 FVSJVHCPSXHGIY-UHFFFAOYSA-N 248.370 2.664 0 40 BFAB COc1ccc(CNc2ncc(C)cc2N)cc1 36226369 MGWOYCUDFGLXGU-UHFFFAOYSA-N 243.310 2.593 0 40 BFAB Clc1ccccc1CO[C@H]1CCCNC1 36314407 HEUPZTSFCQZAAP-NSHDSACASA-N 225.719 2.609 0 40 BFAB Oc1ccc2c(c1)OC1(CCCCC1)O2 39259150 OPBCUSBGBBSDQU-UHFFFAOYSA-N 206.241 2.824 0 40 BFAB COC(=O)c1ccnc(Oc2ccccc2)c1 40448008 XDGLXHYDTMTQDV-UHFFFAOYSA-N 229.235 2.661 0 40 BFAB COc1ccccc1C[C@H]1CCCC1=O 41212676 MLAXLJRAOMDRJC-SNVBAGLBSA-N 204.269 2.607 0 40 BFAB in-vitro CC(C)c1ccc([C@H](CO)N2CCCC2)cc1 41261282 QDZZZASAXANEAU-HNNXBMFYSA-N 233.355 2.939 0 40 BFAB O=Cc1cnc(CCc2ccccc2)s1 42406946 VBKZDVNAQVOHPQ-UHFFFAOYSA-N 217.293 2.741 0 40 BFAB CCOC(=O)[C@@H](CC)C(=O)c1cccc(C)c1 43502533 QJIDTMZMSSKLCP-LBPRGKRZSA-N 234.295 2.767 0 40 BFAB in-vitro COc1ccccc1C(=O)c1cnccc1C 45028984 FWKJBWUDWYYAQC-UHFFFAOYSA-N 227.263 2.630 0 40 BFAB CCNC(=O)CSCc1cccc(Cl)c1 45165373 SPUYNPGZBQCMCE-UHFFFAOYSA-N 243.759 2.709 0 40 BFAB CC(C)C[C@@H](C)N(C)Cc1nc(C2CC2)no1 45770122 XOOJOFULJRBKGM-SNVBAGLBSA-N 237.347 2.813 0 40 BFAB CC(C)(C)n1ncc2c(Cl)nc(Cl)nc21 47843879 KQMSQBIJCSGTAY-UHFFFAOYSA-N 245.113 2.888 0 40 BFAB CC1CCN([C@@H](C)c2nc(C3CC3)no2)CC1 51210228 KKRJNSSCRIDACJ-JTQLQIEISA-N 235.331 2.740 0 40 BFAB Brc1ccc(C[C@@H]2CCNC2)cc1 57955539 SKTDQMROVIRPEQ-JTQLQIEISA-N 240.144 2.601 0 40 BFAB in-vitro CC(C)C[C@]1(C)NC(=O)c2ccccc2O1 59488077 YYQRSQDXUKFGNS-CYBMUJFWSA-N 219.284 2.571 0 40 BFAB CCOc1ccccc1C(=O)C(F)(F)F 61893752 NQOCDPKCGWLHHP-UHFFFAOYSA-N 218.174 2.830 0 40 BFAB CC(C)(N)[C@H](O)c1ccc(Cl)c(Cl)c1 62710127 DZUXFIOSPQYNEF-SECBINFHSA-N 234.126 2.764 0 40 BFAB Cc1cccnc1[C@H]1CCCN1C(C)C 72211132 CEAYLXAQBWMYOM-GFCCVEGCSA-N 204.317 2.935 0 40 BFAB Oc1ccc(NCC(F)(F)C(F)F)cc1 72265910 WWVRXOFYFUNYLM-UHFFFAOYSA-N 223.169 2.705 0 40 BFAB in-vitro COCC1(CO)c2ccccc2-c2ccccc21 72482126 DCEGTWHQTPNCIY-UHFFFAOYSA-N 240.302 2.592 0 40 BFAB Nc1ccc(OCc2nccs2)c(Cl)c1 82049731 JJEQRKWRPXQPTD-UHFFFAOYSA-N 240.715 2.958 0 40 BFAB CON[C@H](C)c1cccc(C(F)(F)F)c1 82128552 CNDPWHDDYPVLAU-SSDOTTSWSA-N 219.206 2.917 0 40 BFAB CCOc1ccc2ccccc2c1CCO 83230578 ONKMJFAIMGVVHN-UHFFFAOYSA-N 216.280 2.773 0 40 BFAB Cc1cc(F)c2c(CC(=O)O)coc2c1 85399729 HGEREZMKHIIGFD-UHFFFAOYSA-N 208.188 2.507 0 40 BFAB CC(C)CN1c2ccccc2[C@@H]2CNCC[C@@H]21 96251737 HHYMIEJOTIFAOJ-ZFWWWQNUSA-N 230.355 2.608 0 40 BFAB C/C(=C\C(=O)N[C@@H](C)c1ccccn1)C1CC1 96309018 CFGXIDYFKGTKHP-USKTWTLRSA-N 230.311 2.615 0 40 BFAB C/C=C/[C@@H]1OC[C@]2(CO)[C@@H](C)[C@@H]1C(C)=C[C@H]2C 100648922 RQCLRCULEFIVSO-GHFGSEBGSA-N 236.355 2.788 0 40 BFAB biogenic CCN(CC)C[C@@H]1C(=O)[C@@]2(C)CC[C@H]1C2(C)C 103210014 PJDFPHPQOIPEKX-YWPYICTPSA-N 237.387 2.970 0 40 BFAB C[C@@H](C1CC1)n1nc(C(F)(F)F)cc1O 116604308 LBIWQPPEZCNYTL-YFKPBYRVSA-N 220.194 2.579 0 40 BFAB COc1c(Br)ccc(C)c1C=O 169796402 ROEKPJLFYMRJSZ-UHFFFAOYSA-N 229.073 2.579 0 40 BFAB Cc1c(N[C@H](C)c2cccc(O)c2)cnn1C 194950313 RYVBSHSNRJPBRV-SECBINFHSA-N 231.299 2.607 0 40 BFAB Cc1cccc(C)c1N[C@@H]1CCC[C@H]1N 218879610 HAWVOAFXHQMBBY-VXGBXAGGSA-N 204.317 2.595 0 40 BFAB CCN(c1ccc(C)c(C)c1)[C@@H](C)C(=O)O 224983869 DMMNJTYPICJOCP-NSHDSACASA-N 221.300 2.603 0 40 BFAB CCOC(=N)c1ccc(N)c(C(F)(F)F)c1 228967021 GBADQFGWKCXJNH-UHFFFAOYSA-N 232.205 2.649 0 40 BFAB C[C@H](O)c1ccc(C(F)(F)F)nc1Cl 235538906 YRZVYDSIKQJDLA-BYPYZUCNSA-N 225.597 2.807 0 40 BFAB CNc1ccc(-c2nc(C3(C)CC3)no2)s1 843238664 NTTRBRYUNSOOOU-UHFFFAOYSA-N 235.312 2.891 0 40 BFAB COc1ccccc1NC(=O)/C=C/c1ccco1 264060 DSLKZOZKZHXIRE-CMDGGOBGSA-N 243.262 2.940 0 40 BFAB COc1ccccc1[C@@H]1OCC[C@H](C)O1 1677476 JIONPJZAVXCSGI-JOYOIKCWSA-N 208.257 2.519 0 40 BFAB O=C(CC(=O)c1ccncc1)c1ccccc1 3953987 ALJURYJXCXVZFN-UHFFFAOYSA-N 225.247 2.537 0 40 BFAB in-vitro CC(C)(C)C(=O)CSc1nc2ncccc2[nH]1 5455805 ZTGLXYNVYIWDCI-UHFFFAOYSA-N 249.339 2.665 0 40 BFAB CC(C)C[C@H](CO)Cc1nc2ccccc2[nH]1 5501041 CTFUDHLGUDTFPE-NSHDSACASA-N 232.327 2.760 0 40 BFAB S=C1N=C2c3ccccc3[C@H]2C(=S)S1 6576169 YGOPPQFZAXLXBR-SSDOTTSWSA-N 235.358 2.932 0 40 BFAB Cc1cccc(CSCCC(=O)O)c1 6924240 VULFKGWDNHSGSY-UHFFFAOYSA-N 210.298 2.703 0 40 BFAB Cc1ccc(N2CCCC[C@@H]2C)c(N)c1 8702595 SKIXZIHSNVILJZ-NSHDSACASA-N 204.317 2.956 0 40 BFAB COc1cccc(C(=O)NCc2ccsc2)c1 13698127 HGPBJHJKQAQMAA-UHFFFAOYSA-N 247.319 2.687 0 40 BFAB CCOc1ccccc1CNC(=O)c1ccco1 20110276 JIOYSNZVJZOZQH-UHFFFAOYSA-N 245.278 2.608 0 40 BFAB COc1ccccc1CNC(C1CC1)C1CC1 20130670 AOTCNBIAPGUJEM-UHFFFAOYSA-N 231.339 2.973 0 40 BFAB COc1cc(OC)c2c(c1)C(C)(C)CC2=O 21989825 FFJNJRJICPRCIY-UHFFFAOYSA-N 220.268 2.568 0 40 BFAB c1ccc(C2CCC(N3CCNCC3)CC2)cc1 22916543 XJADAJHHHZRBRC-UHFFFAOYSA-N 244.382 2.618 0 40 BFAB CNC(=O)c1ccc(Oc2ccc(F)cc2)cc1 23641755 ZMEAGHDBYFXGRE-UHFFFAOYSA-N 245.253 2.978 0 40 BFAB O=C(O)c1c[nH]c2ccc(OC(F)(F)F)cc12 26894704 LZUKLCZNNRZVSL-UHFFFAOYSA-N 245.156 2.765 0 40 BFAB CCSc1nnc(-c2ccccc2)n1C 28760511 MWKWMNGWIBKDCM-UHFFFAOYSA-N 219.313 2.594 0 40 BFAB Cc1cc(Cc2ccccc2)oc1C(=O)O 30836130 GDNRCKKKXXQXSK-UHFFFAOYSA-N 216.236 2.877 0 40 BFAB CC1(c2ccccc2Br)OCCO1 32255605 IMTMVLZKQOKWKK-UHFFFAOYSA-N 243.100 2.669 0 40 BFAB CC[C@@H]1CCCCN1c1ccccc1CN 37082687 MSARTHKMBLJENO-CYBMUJFWSA-N 218.344 2.914 0 40 BFAB CC[C@@H](C)NC(=O)Nc1cccc(C(C)=O)c1 40525802 WQHRTLUNMHJSOG-SECBINFHSA-N 234.299 2.809 0 40 BFAB Oc1nc(-c2ccccn2)nc2ccc(F)cc12 48606597 BXEVASZBAQVORP-UHFFFAOYSA-N 241.225 2.537 0 40 BFAB CCCSc1cc(Cl)nc(C)n1 52837676 FGVBKTCSBZIRIJ-UHFFFAOYSA-N 202.710 2.941 0 40 BFAB CC[C@@H](O)Cc1ccc(Br)cc1F 53784354 HARFQCZLOZHGFR-SECBINFHSA-N 247.107 2.902 0 40 BFAB Fc1ccccc1NCc1cncs1 54770024 FKZHDXMGNNHXDQ-UHFFFAOYSA-N 208.261 2.894 0 40 BFAB CCN(Cc1ccccc1)C1CCC(N)CC1 55144292 CMFAWHXFZMVYBW-UHFFFAOYSA-N 232.371 2.778 0 40 BFAB in-vitro CC(C)CCC(=O)N[C@H](C)c1cccnc1 58283490 CTXCRXPQBBDJOZ-LLVKDONJSA-N 220.316 2.695 0 40 BFAB CCCn1c(SCC)nc2ccccc2c1=O 61422257 FMLHJMPYHHGICM-UHFFFAOYSA-N 248.351 2.919 0 40 BFAB COC(=O)c1oc2c(C)cccc2c1C 64019993 MECMKFYOHJWXEZ-UHFFFAOYSA-N 204.225 2.836 0 40 BFAB Cc1cc(C)n(C[C@@H]2CCCN2CC(C)C)n1 71876082 UHBMZHNZCCRYIJ-AWEZNQCLSA-N 235.375 2.620 0 40 BFAB CCN1CCC[C@@H]1c1cccnc1S 72217052 PNCPRQRCDNAIQX-SNVBAGLBSA-N 208.330 2.527 0 40 BFAB Cc1cc(N(C)c2ccccc2)ncc1CO 72223334 BLMKOVIFOSJPMX-UHFFFAOYSA-N 228.295 2.650 0 40 BFAB COC(=O)c1ccc(-c2ccc(C)cc2)[nH]1 72226043 JZTSJKJZROKGHH-UHFFFAOYSA-N 215.252 2.777 0 40 BFAB CC(C)(C)C(=O)N1CCC[C@H](c2ccccn2)C1 72361327 IRXGAYPOGRHZNM-LBPRGKRZSA-N 246.354 2.834 0 40 BFAB Cc1occc1C(=O)N1CCC[C@@H]2CCC[C@@H]21 89540594 IHDIPNADDDHPJB-AAEUAGOBSA-N 233.311 2.993 0 40 BFAB COc1cc(OC)cc([C@@H]2CCCC[C@H]2O)c1 94651816 JGHXCWVNJTYUEQ-UONOGXRCSA-N 236.311 2.722 0 40 BFAB CCN(CC)[C@H](Cc1ccc(C)c(C)c1)C(=O)O 107843686 WWNQETMYFWZYRS-CQSZACIVSA-N 249.354 2.641 0 40 BFAB CCN(CC)c1ccc([C@@H]2C[C@H]2[C@H](C)N)cc1 108350523 PSLMPRXZPHIWIW-CQDKDKBSSA-N 232.371 2.984 0 40 BFAB O=C(Cc1ccccc1)N[C@H]1C[C@H]2CC[C@H]1C2 136907338 OLEYLXPQZIODGT-IHRRRGAJSA-N 229.323 2.534 0 40 BFAB Cc1cc(CN2CCCCC2)c(C)n1C 226033102 VYWUCLMZQQDAGA-UHFFFAOYSA-N 206.333 2.628 0 40 BFAB CC(C)CCNCc1cc(C(F)(F)F)nn1C 256050414 DYJJLKCZEYIFFQ-UHFFFAOYSA-N 249.280 2.575 0 40 BFAB CC[C@@H](C)n1cc(Br)c(COC)n1 408715140 BIOWPVFZAKEINE-SSDOTTSWSA-N 247.136 2.763 0 40 BFAB CC[C@H](C)n1ccc(COCC(F)F)n1 408715842 FOGHGWVILMFEFG-QMMMGPOBSA-N 218.247 2.636 0 40 BFAB O=C(NCc1ccc(-c2ccco2)o1)C1CCC1 575604976 JOVBGIOVZSIUQA-UHFFFAOYSA-N 245.278 2.956 0 40 BFAB Cc1ncsc1-c1ccc(CN)cc1F 642882570 NNSMNKYENZHLFI-UHFFFAOYSA-N 222.288 2.716 0 40 BFAB COc1cc2cccc(O)c2cc1OC 1563273 MFTKJOKWLZMWFM-UHFFFAOYSA-N 204.225 2.563 0 40 BFAB CC[C@H](CCC1CCCCC1)C(=O)NC(N)=O 1577306 AMRUUEZEFHHQOD-LLVKDONJSA-N 240.347 2.568 0 40 BFAB O=C1OCc2nc3cccc4cccc(c43)n21 1582448 IWLBTKROGNSERQ-UHFFFAOYSA-N 224.219 2.688 0 40 BFAB Clc1ccc(OC[C@H]2CO2)c(Cl)c1 1596389 NTMMJCXPHYKNSP-SSDOTTSWSA-N 219.067 2.771 0 40 BFAB Cc1cccc(C(=O)[C@@H]2CCC[C@H]2C(=O)O)c1 2574454 LCRAIEWQRNEROC-VXGBXAGGSA-N 232.279 2.679 0 40 BFAB COc1ccccc1CC(=O)NC1CCCCC1 3282334 WXCCBDSYKXEYFW-UHFFFAOYSA-N 247.338 2.687 0 40 BFAB CC(C)(C)NC(=O)/C=C/c1cccs1 3289596 RYWNUUHZSFKMBH-VOTSOKGWSA-N 209.314 2.676 0 40 BFAB CCCn1c(C)cc(/C=C/C(=O)O)c1C 3415948 RVUQJFGITSAJDF-AATRIKPKSA-N 207.273 2.613 0 40 BFAB in-vitro O=C(Oc1ccc2c(c1)OCO2)c1cccs1 4163668 KDYKGPCSYWBBHP-UHFFFAOYSA-N 248.259 2.696 0 40 BFAB Cc1ccccc1Cn1c(=O)[nH]c2ccccc21 6529476 JVFYPHAFKJHFIY-UHFFFAOYSA-N 238.290 2.686 0 40 BFAB Cc1cc(C)cc(O[C@@H](C)C(=O)NC(C)C)c1 8041510 YDNOLHQAHFTSBY-LBPRGKRZSA-N 235.327 2.595 0 40 BFAB COc1ccc2c(c1)CCN[C@@H]2c1ccccc1 11598253 XGLBDOMSNOULHH-MRXNPFEDSA-N 239.318 2.930 0 40 BFAB Cc1oc(C)c(C(=O)NCCc2ccco2)c1C 12889793 MKOGKZJOMUVNKU-UHFFFAOYSA-N 247.294 2.770 0 40 BFAB Cc1ccc(CNC(=O)c2ccoc2)cc1F 12977625 XYZDSHJTBGDKJZ-UHFFFAOYSA-N 233.242 2.657 0 40 BFAB Cc1cc2nc(C3CCNCC3)[nH]c2cc1C 19737153 SYZCGQUOHAEKHR-UHFFFAOYSA-N 229.327 2.647 0 40 BFAB CCCCC(=O)Nc1ccc(C)cc1C(=O)O 19807090 WEYQDPNRWPVLPT-UHFFFAOYSA-N 235.283 2.822 0 40 BFAB Cc1nn2c(-c3sccc3C)nnc2s1 20714656 OABQVAOMLFLLDM-UHFFFAOYSA-N 236.325 2.531 0 40 BFAB CN(C)c1ccccc1NC(=O)c1ccco1 23152064 CPBVSQJLPCFTEC-UHFFFAOYSA-N 230.267 2.598 0 40 BFAB COc1ccc(C(=O)N(C)C2CCCC2)cc1 30751728 NPKDTCVBGXXHRU-UHFFFAOYSA-N 233.311 2.710 0 40 BFAB CCN(C(=O)C1CCC1)c1ccc(F)cc1 32738372 RZZBYNXAEXTTPM-UHFFFAOYSA-N 221.275 2.979 0 40 BFAB COc1ccc([C@H](O)C(F)(F)F)cc1C 40262259 LSDQDGHNPOOTPF-VIFPVBQESA-N 220.190 2.599 0 40 BFAB Oc1ccc(Br)c2cc[nH]c12 44185176 KBXCLTPQVXMQOZ-UHFFFAOYSA-N 212.046 2.636 0 40 BFAB O=C(O)Cc1ccc(C(F)(F)F)c(Cl)c1 44375842 DMUKXNXYRHYNLA-UHFFFAOYSA-N 238.592 2.986 0 40 BFAB in-vitro CC(=O)c1ccc(OC(F)(F)F)c(F)c1 44564220 BFLRLIVQZGBKEX-UHFFFAOYSA-N 222.137 2.927 0 40 BFAB CC(C)(C)NC(=S)N1CCc2ccccc2C1 54921944 SVTYWJSCNJPINC-UHFFFAOYSA-N 248.395 2.718 0 40 BFAB Cc1cccc(O[C@H](C)C(=O)N[C@@H](C)C(C)C)c1 57160052 YKJQCVCETDKXFK-QWHCGFSZSA-N 249.354 2.923 0 40 BFAB CCc1ccc(C(=O)N2CCOCC2(C)C)cc1 58277783 GKSPNOUCAYHTFE-UHFFFAOYSA-N 247.338 2.500 0 40 BFAB CCCN1CCC(C(=O)c2ccccc2)CC1 60975098 UEHNCHUSTAYGBZ-UHFFFAOYSA-N 231.339 2.991 0 40 BFAB CC(C)(CC(=O)O)CC(=O)c1ccc(F)cc1 61824668 IPJMAUYWZDVTGO-UHFFFAOYSA-N 238.258 2.899 0 40 BFAB CN1CCCC[C@@H]1c1cccnc1NC1CC1 72213732 UOPVGRBJTSCRPY-CYBMUJFWSA-N 231.343 2.813 0 40 BFAB O=C(c1ccccc1)c1ccc(S)nc1 72225672 JUUPSOYQCXVVMT-UHFFFAOYSA-N 215.277 2.601 0 40 BFAB C[C@H](N)c1ccc(N2CCc3ccccc32)nc1 72225812 GZLMVIBYJXKHRJ-NSHDSACASA-N 239.322 2.796 0 40 BFAB CCCCC[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C 84743006 RTBNEYLNLMZKIM-OLZOCXBDSA-N 242.407 2.658 0 40 BFAB CC(C)n1ccc(CNCCc2ccccc2)n1 85160904 IUFDEEOPDYLPLB-UHFFFAOYSA-N 243.354 2.796 0 40 BFAB Cc1occc1-c1nnc(-c2ccc(N)cc2)o1 85386019 PTSZJXFMKDNQAW-UHFFFAOYSA-N 241.250 2.887 0 40 BFAB CCCc1c(C(=O)OC)cnn1-c1ccccc1 95635500 YAJSWPOOGWZCMC-UHFFFAOYSA-N 244.294 2.611 0 40 BFAB c1ccc(N2CCC[C@H](c3nccs3)C2)nc1 95994701 BGHNURZVSPHZHT-NSHDSACASA-N 245.351 2.922 0 40 BFAB Cc1csc(-c2cccnc2S)n1 96007068 UIBZDHLZAPZBKL-UHFFFAOYSA-N 208.311 2.802 0 40 BFAB Cc1nc(Cl)cc(C(=O)Nc2ccccc2)n1 96182624 RACFPYLUYZYPJX-UHFFFAOYSA-N 247.685 2.691 0 40 BFAB Cc1ccc2c(c1)c1c3n2CCN(N)[C@@H]3CCC1 96190211 KAEOXDBIFMYBBG-CQSZACIVSA-N 241.338 2.516 0 40 BFAB CCCCn1cc([C@H]2CCCCCN2)cn1 225775612 OSYNATNPYBOPIL-CYBMUJFWSA-N 221.348 2.888 0 40 BFAB CCc1cc(N)ccc1-c1ccc(C(=O)O)o1 226314879 GWSVXKSOFZNNOA-UHFFFAOYSA-N 231.251 2.789 0 40 BFAB C[C@H](Oc1ccccc1Br)[C@@H]1CO1 256050637 FXHLWDFKHHKYTJ-XVKPBYJWSA-N 243.100 2.615 0 40 BFAB Fc1ccccc1COc1ncccc1F 585653222 CKOCNWBGGJKGCP-UHFFFAOYSA-N 221.206 2.939 0 40 BFAB O=Cc1cc2c(c(-c3ccccc3)c1)OCO2 1535215929 QQOXPTYUWXKYPV-UHFFFAOYSA-N 226.231 2.895 0 40 BFAB C[C@@H]1[C@H]2CCCC(=O)[C@@]2(C)CCC12OCCO2 2362801479 IODJNNKRQJTWEJ-WZRBSPASSA-N 238.327 2.535 0 40 BFAB CCC(=O)c1ccc2c(c1)OCCCCO2 41050 PBUFBIACMNGNOK-UHFFFAOYSA-N 220.268 2.831 0 40 BFAB CCCNC(=O)c1ccc2c(c1)c(C)c(C)n2C 2761700 LVCSIMPSMOMEBR-UHFFFAOYSA-N 244.338 2.935 0 40 BFAB CCCNCc1ccc2c(c1)C[C@@H](C)O2 4343077 DDBZFWRAKGZMOG-SNVBAGLBSA-N 205.301 2.510 0 40 BFAB CCn1cc(NC(=O)N(C)C)c2ccccc21 5265874 JJYQSVILVUABTG-UHFFFAOYSA-N 231.299 2.755 0 40 BFAB CC1(C)CSC(NCc2ccccc2)=N1 5727742 JXTBEMXNYIIFJS-UHFFFAOYSA-N 220.341 2.658 0 40 BFAB in-vitro N=C(Cc1ccc(Oc2ccccc2)cc1)NO 6885426 BXWSPMMXAWJESZ-UHFFFAOYSA-N 242.278 2.977 0 40 BFAB CSCC(=O)Nc1cc(Cl)ccc1C 9500040 RSNQMNMIYOBBCL-UHFFFAOYSA-N 229.732 2.950 0 40 BFAB Cc1ccc(-n2ncc([C@@H](C)N)c2C)cc1 12896309 NLPRSABCLYBEPR-SNVBAGLBSA-N 215.300 2.509 0 40 BFAB in-vitro CCOC(=O)/C=C(/C)c1ccc(OC)cc1 17189159 CFNFDUJWLXMVHH-KTKRTIGZSA-N 220.268 2.662 0 40 BFAB CC(C)[C@H](C)NC(=O)[C@H]1Cc2ccccc2S1 22242084 BAGQRSWIZIKLDN-GXFFZTMASA-N 249.379 2.864 0 40 BFAB O=C(NCc1ccccc1F)c1ccsc1 22423104 AXYISUFFJBTRAB-UHFFFAOYSA-N 235.283 2.817 0 40 BFAB CCOc1ncccc1NC(=O)C[C@@H]1C=CCC1 27514803 RWPJTXVVWAQUAF-LLVKDONJSA-N 246.310 2.775 0 40 BFAB Cc1ccc(C(F)(F)F)c(CC(=O)O)c1 38529710 UMEQVNCETMDPES-UHFFFAOYSA-N 218.174 2.641 0 40 BFAB COC(=O)c1c(N)sc2c1[C@H](C)CCC2 41046537 MVOUVXSTAVRDDX-ZCFIWIBFSA-N 225.313 2.557 0 40 BFAB Cc1cc(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)no1 41591599 AZZZYRWGWNOQJN-VXGBXAGGSA-N 248.326 2.635 0 40 BFAB COc1cccc(C(=O)c2ccc(C)cc2C)n1 45028772 ZGMXOIRUBYTHPA-UHFFFAOYSA-N 241.290 2.938 0 40 BFAB COC[C@H](C)CN[C@@H](C)c1ccccc1C 45656255 SCXFPWFTIFTJPQ-YPMHNXCESA-N 221.344 2.928 0 40 BFAB CCO[C@H](CC)C(=O)Nc1cccc(C(C)=O)c1 48331984 RNLBCJBVNLNCQK-CYBMUJFWSA-N 249.310 2.643 0 40 BFAB C=C(C)c1cn(Cc2ccccc2C)nn1 72155375 YJEKMAQQSSVVOI-UHFFFAOYSA-N 213.284 2.668 0 40 BFAB COc1cc(C(=O)O)nc2cc(C)c(C)cc12 72221266 QKWWNKXTHMXYQT-UHFFFAOYSA-N 231.251 2.558 0 40 BFAB Cc1cc(Nc2ccccc2)ncc1C(=O)O 72223309 JIXFTZPLTLDGDW-UHFFFAOYSA-N 228.251 2.832 0 40 BFAB COC(C)(C)c1noc(C2=CCCC2)n1 89775559 WLWJFERLJZVLRG-UHFFFAOYSA-N 208.261 2.518 0 40 BFAB CCc1ccccc1C(=O)c1ccccn1 95729460 VFPZJPCWYNSDQY-UHFFFAOYSA-N 211.264 2.875 0 40 BFAB Cc1cc(Br)c(Cl)cn1 95762073 HNVMDSYZOIIFLJ-UHFFFAOYSA-N 206.470 2.806 0 40 BFAB c1ccc2c(C[C@H]3CCCNC3)ccnc2c1 95827040 HRYQXBCNABMSNH-GFCCVEGCSA-N 226.323 2.777 0 40 BFAB CCc1ocnc1C(=O)N1CCC[C@@H]2CCC[C@H]21 95961477 LAQCBEDXJHOIOM-WDEREUQCSA-N 248.326 2.642 0 40 BFAB COCCC(=O)N(Cc1ccccc1)C(C)(C)C 96013890 HULSAKWJRXDCNS-UHFFFAOYSA-N 249.354 2.850 0 40 BFAB C[C@H]1C[C@H]2CN(C(=O)C3=CCCCC3)CC[C@H]2O1 96043595 PGRZFBYCIPCMIB-FPMFFAJLSA-N 249.354 2.513 0 40 BFAB O=C1Nc2ccccc2[C@@H]1Cc1ccco1 96834550 VJOUAALJLFAXRJ-NSHDSACASA-N 213.236 2.558 0 40 BFAB CCc1ccccc1C(=O)OC1CCOCC1 97032006 DERKFPKEAIMYFQ-UHFFFAOYSA-N 234.295 2.585 0 40 BFAB OCc1cccc(OCc2ccc(Cl)cn2)c1 97148471 OEBSLUVVFVDGGN-UHFFFAOYSA-N 249.697 2.806 0 40 BFAB c1cc2c(cn1)Nc1ccncc1S2 98175432 QUPLXMMXAMOWOL-UHFFFAOYSA-N 201.254 2.685 0 40 BFAB CC1=CC(C)=Nc2ccc(C(=O)O)cc2N1 100954252 XGVVGMMLCZXEGV-UHFFFAOYSA-N 216.240 2.807 0 40 BFAB CCc1noc([C@H](C)Nc2cnn(C(C)C)c2)n1 195563519 YPWVYRHRWAXYRR-VIFPVBQESA-N 249.318 2.583 0 40 BFAB CCc1ccc(CNCC(C)C)n1CC 226019659 CGIGUOKZRZYJIV-UHFFFAOYSA-N 208.349 2.816 0 40 BFAB Oc1cnc(C(F)(F)F)cc1Br 228906407 CBXCDMWDEWFWDF-UHFFFAOYSA-N 241.994 2.569 0 40 BFAB CCOc1ccc(/C=C/[N+](=O)[O-])cc1Cl 408788422 FMBPIDUNKFFENU-AATRIKPKSA-N 227.647 2.986 0 40 BFAB Cc1ccc([C@H]2C[C@H]2c2cc(N)on2)cc1 575424362 ZQQFCSLFNXDQFL-GHMZBOCLSA-N 214.268 2.836 0 40 BFAB O=C(C1CCC1)N1CC[C@@H](c2cccs2)C1 1565519922 UNQBQEYVNQZBDH-LLVKDONJSA-N 235.352 2.864 0 40 BFAB CCC[C@@H](C)C(=O)NCc1ccccc1OC 30558 NFOYMJJWGSYYJL-LLVKDONJSA-N 235.327 2.748 0 40 BFAB biogenic COc1ccc2c3c1C(=O)CCC[C@@H]3CO2 1617861 NRRJRNLDKNSCFO-MRVPVSSYSA-N 218.252 2.538 0 40 BFAB Clc1cc2nncc(N3CC3)c2cc1Cl 1693206 XWXCEGXPWVHEEL-UHFFFAOYSA-N 240.093 2.757 0 40 BFAB CCCOc1ccc(Br)cc1CO 2838734 UQOIAUZZKJVNKF-UHFFFAOYSA-N 245.116 2.730 0 40 BFAB COc1ccc(CNCc2ccco2)c(OC)c1 4546097 SJCNJIJHYHXQGR-UHFFFAOYSA-N 247.294 2.587 0 40 BFAB CC1(C)[C@@H]2CC[C@@]1(C)c1nc(=S)[nH]nc12 5686107 FYDIWFZMQQDSND-KBUNVGBDSA-N 221.329 2.709 0 40 BFAB COC(=O)c1cccc(-c2ccc(C=O)o2)c1C 5697157 GPCZYDUFQSXJQD-UHFFFAOYSA-N 244.246 2.854 0 40 BFAB CCCOc1ccc(-c2cn[nH]c2)cc1 5864838 OGEBHJUUKAPLBH-UHFFFAOYSA-N 202.257 2.866 0 40 BFAB COc1cc(C[C@H](N)c2ccccc2)ccc1O 6483744 VXJLGUYBGTVBRZ-ZDUSSCGKSA-N 243.306 2.643 0 40 BFAB Cc1nnc(SCc2ccccc2)o1 7605062 XZCFGUMARFFMFK-UHFFFAOYSA-N 206.270 2.670 0 40 BFAB COc1ccccc1NC(=O)[C@H]1CC=CCC1 9217772 WXORALCNIQURQH-NSHDSACASA-N 231.295 2.990 0 40 BFAB CC[C@H](CCN)n1nc(C(F)(F)F)cc1C 12357773 YYRQBZNLAJKQEZ-MRVPVSSYSA-N 235.253 2.510 0 40 BFAB Cc1cccc(NC(=O)c2ccc(Cl)nc2)n1 12820522 ZZRIRLOTVWEOQO-UHFFFAOYSA-N 247.685 2.691 0 40 BFAB COC[C@@H](C)N[C@@H](C)c1ccc(C)s1 19905103 QHCWTYGFOKIWFM-SCZZXKLOSA-N 213.346 2.742 0 40 BFAB Cc1ccc(N)cc1NC(=O)c1cccs1 20157063 GLPSYCAKGSAHMF-UHFFFAOYSA-N 232.308 2.891 0 40 BFAB CCn1c(=S)[nH]c2c(=O)oc3ccccc3c21 20178568 NJTKBEBIRSFURW-UHFFFAOYSA-N 246.291 2.825 0 40 BFAB COc1ccc(Cl)cc1C(=O)C1CC1 36158713 FOUFMECEPSNMDC-UHFFFAOYSA-N 210.660 2.941 0 40 BFAB Cc1ccc(NC(=O)CC[C@@H]2CCCO2)cc1 40505848 VZHDOAUYENSMAG-ZDUSSCGKSA-N 233.311 2.893 0 40 BFAB COc1ccc(NC(=O)CC(C)C)cc1F 40542262 DLOSFGOSCDZFLP-UHFFFAOYSA-N 225.263 2.819 0 40 BFAB CCCNC(=O)CCSc1ccc(F)cc1 41782202 BMFQJTAWQNURIT-UHFFFAOYSA-N 241.331 2.834 0 40 BFAB CC1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 44583973 PJAWCZRHBOXDIV-NSHDSACASA-N 237.347 2.986 0 40 BFAB CCNc1ccccc1C(=O)N[C@H](C)CC 45796171 GGYXZFLUVSEYTR-SNVBAGLBSA-N 220.316 2.647 0 40 BFAB Cc1ccc(CN[C@@H]2CCCC[C@H]2O)c(C)c1 51989808 RCKNVDMYRRKLSE-HUUCEWRRSA-N 233.355 2.697 0 40 BFAB COC1CCN(Cc2ccc(Cl)cc2)CC1 53906843 FBCAWURUPVKXCN-UHFFFAOYSA-N 239.746 2.951 0 40 BFAB Clc1cc(Cl)nc(-c2ccncc2)n1 58049107 LNACOVNGDGOWDX-UHFFFAOYSA-N 226.066 2.845 0 40 BFAB O=C(NC1CCCCC1)N[C@H]1C[C@H]2CC[C@@H]1C2 59895106 PABXXVLWHCCHBX-LOWVWBTDSA-N 236.359 2.807 0 40 BFAB Fc1cc(Br)cc2ncoc12 62526200 PFTCVJHVBPINQM-UHFFFAOYSA-N 216.009 2.729 0 40 BFAB CCCC[C@H]1CCC[C@@H]1NCc1ncc[nH]1 66593840 OKKWPXHQFUVSCT-RYUDHWBXSA-N 221.348 2.858 0 40 BFAB CCN1CCCC[C@@H]1c1cnc(N)cc1C 72218516 VGDPRRRFEUOXRE-GFCCVEGCSA-N 219.332 2.519 0 40 BFAB CN1CC[C@H](Cc2ccc3ncccc3c2)C1 72367715 KUMOLQGBWOTIIC-CYBMUJFWSA-N 226.323 2.729 0 40 BFAB CCSCC(=O)N(CC(C)C)C(C)C 95435014 ACVOJUQNIUVPFT-UHFFFAOYSA-N 217.378 2.633 0 40 BFAB COc1c(C)cc(SC(C)=O)cc1C 95730923 AARJHLXOYPOXFQ-UHFFFAOYSA-N 210.298 2.951 0 40 BFAB O=C1[C@H]2CC[C@H](C2)C(=O)[C@@H]2C[C@@H]1c1ccccc12 104292952 YRSJNRIOPYFJRB-RDBQEKCUSA-N 240.302 2.826 0 40 BFAB CCc1ccc(CC(=O)N[C@H](C)C(C)C)cc1 129794235 MIKKHDCQFYAYDQ-GFCCVEGCSA-N 233.355 2.952 0 40 BFAB Cc1cc(NCCCN)c2ccc(C)c(C)c2n1 222684827 GDXVHSWRVFQOCB-UHFFFAOYSA-N 243.354 2.921 0 40 BFAB CCCCO[C@@H](Cc1ccc(C)cc1)C(=O)O 225021656 VIGJHYPCZGPJQQ-ZDUSSCGKSA-N 236.311 2.807 0 40 BFAB CCCO[C@@H](Cc1ccc(C)cc1C)C(=O)O 225027025 WHPZDLIGHOYPLY-ZDUSSCGKSA-N 236.311 2.726 0 40 BFAB CCc1ccc(C=O)n1-c1cc(C)ccn1 225302487 KDXHCXNXIAVCIQ-UHFFFAOYSA-N 214.268 2.556 0 40 BFAB CC[C@@H](NC(=O)C1CC1)c1ccc(OC)c(C)c1 225387386 UOSRABOYZGJATR-CYBMUJFWSA-N 247.338 2.981 0 40 BFAB CCc1ccc(C(=O)O)n1Cc1ccccc1 226022409 SFKYBZZJLVKWFD-UHFFFAOYSA-N 229.279 2.797 0 40 BFAB CS(C)(=O)=Nc1ccccc1Br 521400865 DXVMZFQBXOWCFH-UHFFFAOYSA-N 248.145 2.808 0 40 BFAB COc1[nH]c2nc(C(F)F)cc-2cc1F 575629252 NKFNFTIJZYWXEH-UHFFFAOYSA-N 216.162 2.600 0 40 BFAB Cc1cc(NC2CC(n3cccn3)C2)cnc1C 895644481 BBNKJRUYRMALRL-UHFFFAOYSA-N 242.326 2.711 0 40 BFAB Nc1cccc(-c2nc3cc(N)ccc3o2)c1 235493 IKSUMZCUHPMCQV-UHFFFAOYSA-N 225.251 2.659 0 40 BFAB in-vitro COc1ccccc1C(=O)N[C@@H](C)CC(C)C 364086 YNURKCXEQAQIRE-NSHDSACASA-N 235.327 2.860 0 40 BFAB O=C(O)[C@H](c1ccccc1)[C@H](O)[C@H]1CC=CCC1 1733995 UUEPQVJAAMNTBT-BFHYXJOUSA-N 246.306 2.572 0 40 BFAB CCC1=Nc2ccccc2[C@]1(C)C(=O)OC 3847662 KDTDHNYUGROEJL-ZDUSSCGKSA-N 217.268 2.613 0 40 BFAB biogenic CC(C)N1C(=O)S/C(=C\c2ccco2)C1=O 4545301 HOXVKJBJPMOSNK-TWGQIWQCSA-N 237.280 2.724 0 40 BFAB CC1CCN(CCC(=O)Nc2ccccc2)CC1 4743836 BLYSKUXPYAJHOI-UHFFFAOYSA-N 246.354 2.747 0 40 BFAB O[C@H](/C=C/c1ccccc1)c1cccnc1 5162282 VSRIZGGWJMIHIO-MYSGNRETSA-N 211.264 2.828 0 40 BFAB Cc1cccc2cc(C(=O)O)c(Cl)nc12 5520589 BVEMEOSELOITBF-UHFFFAOYSA-N 221.643 2.895 0 40 BFAB in-vitro c1ccn2cc(-c3ccc4c(c3)OCO4)nc2c1 6740842 AUEQNIMIOVYNJK-UHFFFAOYSA-N 238.246 2.730 0 40 BFAB CCCOc1ccc(-c2cc(C(=O)O)[nH]n2)cc1 6856863 QQJPUMSNTUVGMC-UHFFFAOYSA-N 246.266 2.564 0 40 BFAB Cc1cccc([C@H](CN)N2CCC[C@H](C)C2)c1 19256147 DZJHDJOAIHYPNT-ZFWWWQNUSA-N 232.371 2.727 0 40 BFAB C[C@H](NCCc1ccccc1F)C1CC1 19912712 OXYXJZIPKQVFNB-JTQLQIEISA-N 207.292 2.756 0 40 BFAB CCCC1CCC(N[C@H](CC)CO)CC1 20195945 QBHGHQSISBEZAF-OTTFEQOBSA-N 213.365 2.706 0 40 BFAB Nc1cc(Cl)ccc1NC1CCC(O)CC1 20381858 CYNILYKQSBINIV-UHFFFAOYSA-N 240.734 2.638 0 40 BFAB CC[C@H](O)c1cccc(Br)c1 21952867 NFRBOGHEHVPWKF-VIFPVBQESA-N 215.090 2.893 0 40 BFAB in-vitro CCCCN[C@H]1CCc2ccccc2C1 27860182 FSXXDNPGFQZQSR-AWEZNQCLSA-N 203.329 2.934 0 40 BFAB Cc1cc(C(=O)N[C@H](C)c2cccnc2)c(C)o1 32819209 WMFOQUZJRAUITQ-SNVBAGLBSA-N 244.294 2.782 0 40 BFAB CCOc1ccc(CC[C@H](C)NC)cc1 34821333 RCYGEEAPZLJPGZ-NSHDSACASA-N 207.317 2.626 0 40 BFAB CCN(Cc1ccccc1)c1ccc(CN)cn1 34958032 OJZZGLPZEFCXEL-UHFFFAOYSA-N 241.338 2.567 0 40 BFAB in-vitro Cc1cccnc1NC(=O)Cc1cccs1 38830326 AOKYDBHYNJCUJI-UHFFFAOYSA-N 232.308 2.633 0 40 BFAB CCn1c([C@@H](C)O)nc2cc(Cl)ccc21 40417185 DCPSMZWUTMAWQN-SSDOTTSWSA-N 224.691 2.763 0 40 BFAB CN(Cc1cccs1)C(=O)C1CCCC1 40458932 UYONKQLIMIVDIO-UHFFFAOYSA-N 223.341 2.897 0 40 BFAB CCOC(=O)Nc1ccc(C(=O)O)c(Cl)c1 42417419 HMTNYRXEKVKUJW-UHFFFAOYSA-N 243.646 2.607 0 40 BFAB C[C@@H]1Oc2cc(Cl)cc(Cl)c2C1=O 43633269 BFNCFKZINSTEPA-BYPYZUCNSA-N 217.051 2.957 0 40 BFAB CCc1ccc(-c2cc(=O)[nH]c(=S)[nH]2)cc1 45918685 MDMJMKYBSFNQMS-UHFFFAOYSA-N 232.308 2.662 0 40 BFAB O=C(NCC1CC1)c1cc2ccc(Cl)cc2[nH]1 46332680 LGISAKFQFBMKNL-UHFFFAOYSA-N 248.713 2.961 0 40 BFAB Cc1ccc(COCCC2CCNCC2)cc1 48895434 NEVDJFAMDSCRTM-UHFFFAOYSA-N 233.355 2.901 0 40 BFAB O=C(O)c1ccc2nc(-c3cccs3)cn2c1 49646728 IUJJQCICZJHLEY-UHFFFAOYSA-N 244.275 2.761 0 40 BFAB CCN(Cc1cccc(OC)c1)[C@@H](C)COC 52219085 ZCWNJSRZUWBQEH-LBPRGKRZSA-N 237.343 2.552 0 40 BFAB CO[C@@H](C)CC(=O)N[C@@H](c1ccccc1)C(C)C 58268323 BTSOEYUCMSYGQL-SWLSCSKDSA-N 249.354 2.925 0 40 BFAB CC(C)CN1CCCC[C@@H]1c1ccc(N)nc1 72212382 BHTZXZABXIYFRS-CYBMUJFWSA-N 233.359 2.847 0 40 BFAB O=C(O)c1c[nH]c2nc(-c3ccccc3)ccc12 75824246 OYLKOTAHYFCZIA-UHFFFAOYSA-N 238.246 2.928 0 40 BFAB COc1ccncc1NCc1sc(C)nc1C 95430861 XZEOIGRRCZDELS-UHFFFAOYSA-N 249.339 2.776 0 40 BFAB CC(C)NC(=O)c1cccc2c1CCCC2 96171105 CNRBPPITRBOFGC-UHFFFAOYSA-N 217.312 2.704 0 40 BFAB CC1=C[C@H](C)[C@@H](CNCCCN(C)C)[C@@H](C)C1 101125784 TZIMJQBDMVLZIZ-SOUVJXGZSA-N 238.419 2.766 0 40 BFAB O=C(O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1c1ccccc1 102916235 NNUSVTIAASPYFL-CYDGBPFRSA-N 216.280 2.901 0 40 BFAB CCOCC(=O)Nc1ccc(C2CC2)c(F)c1 195580105 DMAHSXXRBHQUAZ-UHFFFAOYSA-N 237.274 2.678 0 40 BFAB CN(C(=O)OC(C)(C)C)c1cc(F)ccc1N 224682662 NCYOSIATIARVSI-UHFFFAOYSA-N 240.278 2.779 0 40 BFAB CCOC(=O)CCCc1ccccc1C 228982329 HSJOMLHPTWTTGG-UHFFFAOYSA-N 206.285 2.881 0 40 BFAB CC[C@H](C)[C@H](N)CN1CC[C@H]2CCCC[C@H]2C1 252470010 KKIVHKXLMQQSPC-LJISPDSOSA-N 238.419 2.872 0 40 BFAB CCn1nc(C)cc1NCc1ccnn1C(C)C 256051921 LBSNPUHKRPFTRG-UHFFFAOYSA-N 247.346 2.601 0 40 BFAB Cc1ccccc1/C=C1\SC(=O)N(C)C1=O 408814083 PWTANDOOJCPGJX-YFHOEESVSA-N 233.292 2.661 0 40 BFAB CCOC(=O)[C@H]1C[C@@H]1c1cc(C)ccc1C 1857793788 QMDVUSVCFZLJKZ-OLZOCXBDSA-N 218.296 2.970 0 40 BFAB CCCCCN(C)CCOC(=O)N(CC)CC 1677417 OAUCLBWUQXNSDA-UHFFFAOYSA-N 244.379 2.587 0 40 BFAB CC(C)N(C(=O)CC1(O)CCCCC1)C(C)C 1687967 JOBNOVQOWAIWBO-UHFFFAOYSA-N 241.375 2.717 0 40 BFAB O[C@H]1OC2(CCCCC2)Cc2ccccc21 3848002 PWDBZPQTBQPPQZ-ZDUSSCGKSA-N 218.296 2.953 0 40 BFAB biogenic COc1ccc(C)cc1[C@@H](C)NC(=O)C1CCC1 8128275 DXTVUMHEYSXUAH-LLVKDONJSA-N 247.338 2.981 0 40 BFAB Nc1ccc(-c2ccc(/C=C/C(=O)O)o2)cc1 8701974 ZUXJAYSBZKNORG-SOFGYWHQSA-N 229.235 2.627 0 40 BFAB S=c1[nH]nc(/C=C/c2ccccc2)[nH]1 8981640 ALHGVKAIXXQXJE-VOTSOKGWSA-N 203.270 2.638 0 40 BFAB in-vitro Cc1cc(O[C@H](C)C(=O)O)ccc1C(C)C 11958136 JQOLHHYVSCEUJO-SNVBAGLBSA-N 222.284 2.970 0 40 BFAB in-vitro Cc1cc(OC2CCNCC2)ccc1Cl 14628586 XGUPBEQGBNKGGU-UHFFFAOYSA-N 225.719 2.779 0 40 BFAB C[C@H]1c2cccn2CCN1C(=O)NC1CCCC1 15783052 FPFOYBOHNPMTLN-NSHDSACASA-N 247.342 2.517 0 40 BFAB CCCCNCc1cc(OC)ccc1OC 19907129 KJTSROVZCOXPLQ-UHFFFAOYSA-N 223.316 2.594 0 40 BFAB Nc1cccc(CC(=O)NC2CCCCCC2)c1 20186021 HGKMIIFAZXVEFN-UHFFFAOYSA-N 246.354 2.650 0 40 BFAB CCc1cc(N)n(-c2nc3ccccc3s2)n1 26512373 RFLZYVVHOSLBSN-UHFFFAOYSA-N 244.323 2.627 0 40 BFAB Cc1cccnc1NC(=O)[C@@H]1CC=CCC1 27650617 WTCQVHPBQOZBAK-LLVKDONJSA-N 216.284 2.685 0 40 BFAB C[C@H]1CCCN(C(=O)CCc2ccsc2)C1 32721992 SHLHVVCAIWGMSZ-NSHDSACASA-N 237.368 2.939 0 40 BFAB CCN(C(=O)c1ccccn1)C1CCCCC1 32902885 KZAQXGDZXTXQTE-UHFFFAOYSA-N 232.327 2.876 0 40 BFAB CCCCC[C@@H](O)CCCC(=O)OCC 34099368 JZHPHZPSKLWKPM-LLVKDONJSA-N 216.321 2.661 0 40 BFAB C[C@@H](CSCc1ccccc1)C(=O)O 34535237 KARSURQOGRNRLB-VIFPVBQESA-N 210.298 2.641 0 40 BFAB in-vitro CC(=O)c1cccc(N2CCCCC2)c1 34776786 WFQGAPQBLBCFNB-UHFFFAOYSA-N 203.285 2.880 0 40 BFAB C[C@@H]1CNC[C@H](c2cccc(C(F)(F)F)c2)O1 36986374 RJEZAXRIVUILRZ-LDYMZIIASA-N 245.244 2.755 0 40 BFAB in-vitro CCCN(CCCC(=O)O)c1ccccc1 37474284 SUCXGQTUTBHNFI-UHFFFAOYSA-N 221.300 2.768 0 40 BFAB Clc1nncc(N2CCCCC2)c1Cl 39630071 YYCUJDZUWQZOKD-UHFFFAOYSA-N 232.114 2.774 0 40 BFAB CC(C)[C@@H](C)NC(=O)Nc1ccccc1N(C)C 40104733 KWAWQDIUZQASGF-LLVKDONJSA-N 249.358 2.919 0 40 BFAB Cc1cc(OC[C@H]2CCNC2)cc(C)c1Cl 42772968 ZZXXBVMRPXYBTQ-NSHDSACASA-N 239.746 2.945 0 40 BFAB Cc1cc(C(=O)c2ccccc2F)ccn1 45038451 AKXCSSVAQGIIFJ-UHFFFAOYSA-N 215.227 2.760 0 40 BFAB Cc1ccoc1C(=O)Nc1cc(C(C)C)n[nH]1 49044248 DLAZRLWQFZKTCX-UHFFFAOYSA-N 233.271 2.687 0 40 BFAB CC(C)CN(Cc1ccccn1)C(C)C 52218396 DUYAKGQCXBQXHF-UHFFFAOYSA-N 206.333 2.948 0 40 BFAB CC1CCN(c2ccccc2NC(N)=S)CC1 57328187 DPTKZQOIABSGJD-UHFFFAOYSA-N 249.383 2.578 0 40 BFAB CC1(c2nc3ccccc3s2)CCNCC1 62843120 IBRZQHAEUQTVCM-UHFFFAOYSA-N 232.352 2.937 0 40 BFAB O=C(Cc1ccccc1Cl)N1CCCCC1 70237100 WHHXLWIEEKUHEL-UHFFFAOYSA-N 237.730 2.895 0 40 BFAB Nc1cc(C2CC2)ccc1Br 72193342 KVKXCLBCPVFJFW-UHFFFAOYSA-N 212.090 2.909 0 40 BFAB c1cc(NC2CCCC2)cc(C2CCNCC2)n1 72386450 KPPHEKHJUWJYQC-UHFFFAOYSA-N 245.370 2.903 0 40 BFAB Cc1cc(-c2noc(C(C)C)n2)ccc1N 82536059 QTHWMWQQGNCCOL-UHFFFAOYSA-N 217.272 2.751 0 40 BFAB CC(C)(C)c1ccc(OC2(C(=O)O)CC2)cc1 85392748 NYJVNPXVVUSZSD-UHFFFAOYSA-N 234.295 2.980 0 40 BFAB CC(C)NCc1ccccc1OCCF 87774244 NDXXKCZNDHIACM-UHFFFAOYSA-N 211.280 2.533 0 40 BFAB CC(C)c1nc2nccc(-c3cccs3)n2n1 96344175 CYDMTIKEVYZQHH-UHFFFAOYSA-N 244.323 2.976 0 40 BFAB Cc1ccccc1N1CCN[C@H]2CCCC[C@@H]21 225712712 FMXQQXOGVOSOTD-ZFWWWQNUSA-N 230.355 2.716 0 40 BFAB Cc1cccc(C(=O)Nc2ccc(O)cc2)c1 362904 SAKAFVKKYGXYEN-UHFFFAOYSA-N 227.263 2.953 0 40 BFAB in-vitro O=C(N[C@H]1C[C@H]1c1ccccc1)c1ccccc1 493895 PNDHLCFURACDRW-GJZGRUSLSA-N 237.302 2.973 0 40 BFAB c1ccc(Cc2nnc3n2CCCCC3)cc1 494244 DGKKYIGBOVQCRT-UHFFFAOYSA-N 227.311 2.595 0 40 BFAB COP(=O)(OC)C(=O)c1ccc(C)cc1 1678473 ADISLPDXEVFBEO-UHFFFAOYSA-N 228.184 2.621 0 40 BFAB biogenic O=C(O[C@@H]1CCc2ccccc2C1)c1ccco1 2045213 WQRZRDQHFOUWDE-CYBMUJFWSA-N 242.274 2.994 0 40 BFAB Cc1cccc(C)c1C(=O)[C@H]1CCC[C@H]1C(=O)O 2245629 YJKRDFOFRNIAIY-NWDGAFQWSA-N 246.306 2.987 0 40 BFAB CCCCOc1ccc(CSC(=N)N)cc1 4008348 COOASJBWMMWRRE-UHFFFAOYSA-N 238.356 2.992 0 40 BFAB CC(C)NC(=O)CCc1c[nH]c2ccccc12 6650670 NZCWVUDVZCXBFR-UHFFFAOYSA-N 230.311 2.625 0 40 BFAB Cc1ccccc1-c1nnc2ccc(Cl)nn12 9184387 RLUFRMXAILDPQB-UHFFFAOYSA-N 244.685 2.753 0 40 BFAB CNC(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 10052705 LDWSHYSQMNWOKX-VHSXEESVSA-N 243.228 2.555 0 40 BFAB CC[C@@H](Cc1ccccc1Cl)C(=O)O 11976793 NETUDYPBFNJKOB-QMMMGPOBSA-N 212.676 2.993 0 40 BFAB Fc1cccc(OCC[C@H]2CCCNC2)c1 14632362 RAAMEPKFJUMRSF-LLVKDONJSA-N 223.291 2.594 0 40 BFAB COc1ccc(NC(=O)c2ccoc2)cc1 16200050 DGBIMBUGJWXBPV-UHFFFAOYSA-N 217.224 2.541 0 40 BFAB COc1cccc(/C=C/C(=O)NC(C)(C)C)c1 16890953 TTYLHFHMEIZBNK-CMDGGOBGSA-N 233.311 2.623 0 40 BFAB C[C@@H](CN)c1ccc(Br)cc1 19726063 HVTXSPFHZMRKMS-ZETCQYMHSA-N 214.106 2.511 0 40 BFAB CCC[C@@H](C)NC(=O)c1cc(F)ccc1F 28210782 TZHAFXOXGOSBCZ-MRVPVSSYSA-N 227.254 2.883 0 40 BFAB Cc1cc(C(=O)N(C)[C@@H](C)C2CC2)c(C)o1 32907053 MOBOTOPTPCWLPX-VIFPVBQESA-N 221.300 2.767 0 40 BFAB O[C@@H](CNC1CCCCC1)c1ccccc1F 33466091 BIAWNTOMOOZOSJ-AWEZNQCLSA-N 237.318 2.781 0 40 BFAB CC(C)C[C@@H]1NC(=O)O[C@@H]1c1ccccc1 34318344 YYHKDAYVJJZHEN-NWDGAFQWSA-N 219.284 2.882 0 40 BFAB C[C@@H]1C[C@@H]1C(=O)N[C@@H](c1ccccc1)C1CC1 34858329 BVFWVDWDLGJAFT-SWHYSGLUSA-N 229.323 2.910 0 40 BFAB CCN[C@H](c1ccncc1)c1ccc(F)cc1 35539831 VJAGYOCDWUWNOW-AWEZNQCLSA-N 230.286 2.920 0 40 BFAB in-vitro O=C(O)[C@H]1C[C@@H]1c1ccc(OC(F)(F)F)cc1 37380722 IYYOCNQIQCLRHF-BDAKNGLRSA-N 246.184 2.773 0 40 BFAB C[C@@H](CN)Sc1ccc(Br)cc1 43514575 IKTFUMVWBVWWRJ-ZETCQYMHSA-N 246.173 2.888 0 40 BFAB in-vitro CC[C@@H](C)NC(=O)CCOc1ccc(F)cc1 45262885 FCZHFWVQCRTHFE-SNVBAGLBSA-N 239.290 2.509 0 40 BFAB O=C(O)Cc1ccc(C(=O)c2ccccc2)cc1 49830055 ILZOEMNCWIVMLT-UHFFFAOYSA-N 240.258 2.545 0 40 BFAB C[C@H](N)c1ccc(NCc2ccccc2)nc1 72225351 AHXOJMXWINYGPA-NSHDSACASA-N 227.311 2.713 0 40 BFAB CO[C@@H]1CCCC[C@@H]1CCNCC1CCC1 85395934 ZHGKGBHCJDLRPG-ZIAGYGMSSA-N 225.376 2.971 0 40 BFAB CC(C)(C)OC(=O)n1ncc2ccc(C=O)cc21 89195710 AYONYNIBPBZQNA-UHFFFAOYSA-N 246.266 2.632 0 40 BFAB C1=C(c2ccccc2)CCN(C[C@H]2CCCN2)C1 96523681 OOWGOSCOVXMUIY-MRXNPFEDSA-N 242.366 2.528 0 40 BFAB c1ccc(CN2CCC[C@@]3(CCCCN3)C2)cc1 96985142 ROBNYLCIUULIJV-INIZCTEOSA-N 244.382 2.795 0 40 BFAB Cc1nnc(CSCC2CCCC2)o1 97138507 INMLKWFCDBXQGV-UHFFFAOYSA-N 212.318 2.801 0 40 BFAB COc1ccc2c(c1)C1[C@H]3[C@@H]4[C@H]3C2[C@@H]2[C@@H]1[C@@H]24 104291844 XLLZTEORNJNOQZ-KJXGPABGSA-N 210.276 2.628 0 40 BFAB CC[C@H](O)c1ccc(C(F)(F)F)cn1 159283413 KCJFLSAFBXHFQY-QMMMGPOBSA-N 205.179 2.544 0 40 BFAB CCN1CCC[C@@H](CNC[C@@H]2CC=CCC2)C1 195545001 QHASYNVYRJRCPZ-CABCVRRESA-N 236.403 2.664 0 40 BFAB Cc1ccc(CCC(=O)NC(C)C)cc1C 223251845 OQJUZFXIBAWNHV-UHFFFAOYSA-N 219.328 2.761 0 40 BFAB Fc1ccc(C2CNC2)c2ccccc12 238556078 OJTVYCMCRAUSAI-UHFFFAOYSA-N 201.244 2.666 0 40 BFAB CC[C@H](C)NCCCN1CCCC[C@H]1C 238857218 YIHQUCLGWUZLCY-QWHCGFSZSA-N 212.381 2.639 0 40 BFAB CC(C)Cn1cc(CNCc2ccccc2)cn1 256051226 IHKKJPPXFNQADK-UHFFFAOYSA-N 243.354 2.829 0 40 BFAB CCOc1ccc(CNc2c(C)cnn2C)cc1 256054780 XSWQBRCPHCBGFO-UHFFFAOYSA-N 245.326 2.739 0 40 BFAB O=C1c2cccc(Br)c2[C@H]2C[C@H]12 1857793705 PZLKGKLADWXNKJ-BQBZGAKWSA-N 223.069 2.749 0 40 BFAB CC(=O)O[C@H]1CCCC[C@H]1n1nc(C)cc1C 553891 OIBGRPDKPXNRMM-OLZOCXBDSA-N 236.315 2.547 0 40 BFAB CCCC(=O)Nc1ccc2c(c1)nc(C)n2C 577568 RQLNQWOQBFWHHJ-UHFFFAOYSA-N 231.299 2.620 0 40 BFAB CC[C@@H](C)OC(=O)c1ccc(OC)cc1 1584038 DEYBTTQRVBVNIC-SECBINFHSA-N 208.257 2.651 0 40 BFAB CCCCCCC(C(=O)OCC)C(=O)OCC 1679975 HSHMTDVEKPAEGS-UHFFFAOYSA-N 244.331 2.699 0 40 BFAB CCC(CC)COC(=O)[C@H]1CCCC[C@@H]1O 1697041 OPXHPQYLEJCRNK-RYUDHWBXSA-N 228.332 2.517 0 40 BFAB COc1ccccc1C(=O)CN1CCCC[C@H]1C 3306961 TXWVZQXYORSYJV-GFCCVEGCSA-N 247.338 2.752 0 40 BFAB CCn1nc(-c2ccc(C)c(C)c2)ccc1=O 5401470 FUYMBUJTHQZFEA-UHFFFAOYSA-N 228.295 2.547 0 40 BFAB Cc1ccc(C(C)C)c(OCC(=O)N(C)C)c1 6602435 AAWJJCMNVWFAIC-UHFFFAOYSA-N 235.327 2.585 0 40 BFAB OCc1cc2cc(F)ccc2nc1Cl 11727615 CHLWQCOYLXZRAE-UHFFFAOYSA-N 211.623 2.520 0 40 BFAB C[C@H](NC(=O)[C@H]1C[C@@H]1C)c1cccc(F)c1 12905669 YCVOXSYSUKLHSK-AUTRQRHGSA-N 221.275 2.659 0 40 BFAB C[C@H]1C[C@@H](C)CN(C(=O)Nc2cccnc2)C1 15525024 YVFLTQINSDMSMM-PHIMTYICSA-N 233.315 2.591 0 40 BFAB COCCOc1ccc(CNC(C)(C)C)cc1 19737847 CYKWTOXTWITGRI-UHFFFAOYSA-N 237.343 2.600 0 40 BFAB C[C@H]1CCC[C@H](C)N1C(=O)Cc1ccccc1N 20155703 NOUTZRIVCRJYER-RYUDHWBXSA-N 246.354 2.601 0 40 BFAB CC1(C)[C@H]2CC[C@]1(C)c1nc(NN)sc12 20551705 NJBLDAVBXVRRRS-UPONEAKYSA-N 223.345 2.604 0 40 BFAB c1ccc(-c2nnc(-c3ccsc3)o2)nc1 20738087 INBYADLPKQFKFQ-UHFFFAOYSA-N 229.264 2.860 0 40 BFAB COc1cc(F)c(C(C)=O)cc1Br 21989380 CIBWOSFBSHBJRB-UHFFFAOYSA-N 247.063 2.799 0 40 BFAB c1ccc(CCNc2nc3ccccc3o2)nc1 22757221 MBJSZQPMAQRYGI-UHFFFAOYSA-N 239.278 2.877 0 40 BFAB Clc1ccc2c(c1Cl)CNCC2 24714117 WFPUBEDBBOGGIQ-UHFFFAOYSA-N 202.084 2.639 0 40 BFAB in-vivo Cc1ccc(C)c(SCN2CCOCC2)c1 24981937 GTIUVCVTKGEWJR-UHFFFAOYSA-N 237.368 2.685 0 40 BFAB Cc1cccc(-c2nc(CO)cs2)c1 32010460 HACUTVLREYDBQH-UHFFFAOYSA-N 205.282 2.611 0 40 BFAB in-vitro Nc1c(C(F)(F)F)ccc(C(F)(F)F)c1N 34142289 YCMVMJWWGVVLDD-UHFFFAOYSA-N 244.138 2.889 0 40 BFAB O[C@@H]1CCc2[nH]c3ccc(Cl)cc3c2C1 39332297 RRLMGKSFHNZBGB-MRVPVSSYSA-N 221.687 2.671 0 40 BFAB in-vitro O=C(CSc1cccs1)NC1CCCC1 40504956 LQPJUGVLBRQSOC-UHFFFAOYSA-N 241.381 2.899 0 40 BFAB CCC[C@@H](C)NC(=O)Cc1ccccc1F 42141538 QIYAVHLOKCVALA-SNVBAGLBSA-N 223.291 2.673 0 40 BFAB Cc1csc(NC(=O)NCCC(C)C)n1 43258352 KUYNNCPMUCGZLM-UHFFFAOYSA-N 227.333 2.619 0 40 BFAB CC(C)C(=O)NCCSc1ccccc1 61078251 DHSKOOZYRMRKML-UHFFFAOYSA-N 223.341 2.551 0 40 BFAB CCCN(C)C(=S)Nc1cccc(OC)c1 63565117 OLTZCGUCSHRTBV-UHFFFAOYSA-N 238.356 2.734 0 40 BFAB CC[C@H](N)c1cnc(NC(C)C)cc1C 72223011 ZZWBPDULJMVYLJ-NSHDSACASA-N 207.321 2.620 0 40 BFAB Cc1nc(Nc2ccccc2)ccc1C(=O)O 72224351 QLKAQEDRWMUDMZ-UHFFFAOYSA-N 228.251 2.832 0 40 BFAB Cc1nc(S[C@H]2CCCCC2=O)oc1C 73788426 WOZXYUSUFSCWAT-JTQLQIEISA-N 225.313 2.895 0 40 BFAB COC(=O)c1cc2ccc(Cl)cc2o1 81213617 BBKNMQLOVMQZRO-UHFFFAOYSA-N 210.616 2.873 0 40 BFAB c1cnc2nc(-c3ccc4c(c3)CCN4)oc2c1 82548739 HZYMRNZAIMRZNH-UHFFFAOYSA-N 237.262 2.858 0 40 BFAB Cc1occc1CNCCc1ccccc1 85396068 HZTBIKZAYYWZRI-UHFFFAOYSA-N 215.296 2.920 0 40 BFAB CC(C)(C)c1nccc(C(F)(F)F)n1 85397213 PQBYAVVJSLUPEX-UHFFFAOYSA-N 204.195 2.793 0 40 BFAB CC(=O)N1CCC[C@@H]1CC1CCCCC1 89930517 GIHSEHCHZFGZRV-CYBMUJFWSA-N 209.333 2.968 0 40 BFAB Cc1ccc(CN(C)C)cc1Br 90413896 XINZRFZLHICLJT-UHFFFAOYSA-N 228.133 2.819 0 40 BFAB Cc1cc(OC(F)(F)F)ccc1/C=C/C(=O)O 91252112 JYTHJDZEVRTJAK-HWKANZROSA-N 246.184 2.991 0 40 BFAB C[C@@H](O)CN[C@@H]1CCCSc2ccccc21 95419029 YHHQBRNNEYJXTA-ZYHUDNBSSA-N 237.368 2.584 0 40 BFAB CC(C)(N)CO[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C 100136690 ZTZRQPXJOXZJCX-WDMOLILDSA-N 225.376 2.955 0 40 BFAB in-vitro O=C(O)[C@H]1C[C@H]1c1cccc(Cl)c1F 125063992 SBNZLYNJIDZCIL-BQBZGAKWSA-N 214.623 2.667 0 40 BFAB CCOc1cc(C(Cl)(Cl)Cl)[nH]n1 135969006 MYNCGHSDHJJRFN-UHFFFAOYSA-N 229.494 2.635 0 40 BFAB NN[C@@H](c1ccc(F)cc1)c1ccccc1F 161781205 QOZRCUAEVJPSIY-ZDUSSCGKSA-N 234.249 2.518 0 40 BFAB CC(=O)Nc1ccc(Br)c(C)c1F 194793139 KVCDUBLCKFWIGX-UHFFFAOYSA-N 246.079 2.855 0 40 BFAB C[C@@H]1C[C@H](C(=O)O)c2c1[nH]c1ccccc21 238448970 FDOUSMDGPRTRSE-APPZFPTMSA-N 215.252 2.843 0 40 BFAB OCc1cc([C@@H]2CCCCN2)ccc1Cl 1888857070 FSHWXUGGNSAQJO-LBPRGKRZSA-N 225.719 2.647 0 40 BFAB CC(C)Sc1ccc(CC(=O)O)cc1 347465 YTQYUIVFQJZMHZ-UHFFFAOYSA-N 210.298 2.814 0 40 BFAB in-vitro CCOC(=O)c1cc(-c2ccccc2OC)no1 376537 SOATVTJZXPTEGW-UHFFFAOYSA-N 247.250 2.527 0 40 BFAB CCOC(=O)Nc1cnc2ccccc2c1 1668658 OLYXRLUSUBYUJE-UHFFFAOYSA-N 216.240 2.803 0 40 BFAB COc1ccc(-c2ccncc2C=O)cc1 2574337 GKHCTJINMOUECD-UHFFFAOYSA-N 213.236 2.570 0 40 BFAB in-vitro O=C1CCCc2ccc(Br)cc2N1 4202777 HZCRDMVVKIJKFI-UHFFFAOYSA-N 240.100 2.724 0 40 BFAB O=C1C=CC(=O)N1c1ccccc1-c1ccccc1 5604543 ABAMRMYDBGTLHX-UHFFFAOYSA-N 249.269 2.783 0 40 BFAB O[C@@H]1c2ccccc2[C@@H]2[C@H]1c1ccccc1[C@@H]2O 5813127 ZHODMXFAYOBKEZ-FPCVCCKLSA-N 238.286 2.648 0 40 BFAB Nc1ccc2c(cnn2Cc2ccc(F)cc2)c1 8699387 VHWVWFPJTDRKIK-UHFFFAOYSA-N 241.269 2.806 0 40 BFAB CCOc1cc(C=O)ccc1N1CCCCC1 8702380 VMSTVIINECRYEC-UHFFFAOYSA-N 233.311 2.888 0 40 BFAB CN(C)C(=O)Nc1nc2ccc(F)cc2s1 9336238 CMPCUUOFVHRVBY-UHFFFAOYSA-N 239.275 2.529 0 40 BFAB CSc1nc(C(C)(C)C)nc(C)c1C(=O)O 12981408 YHHWYPQKCGFSCI-UHFFFAOYSA-N 240.328 2.503 0 40 BFAB O=NNc1ncccc1OCc1ccccc1 13213268 VVGMIBLAJNMPJV-UHFFFAOYSA-N 229.239 2.754 0 40 BFAB Cc1ccc(OCCCC(=O)NCC(C)C)cc1 14400954 JRAYLQLEAQPMFK-UHFFFAOYSA-N 249.354 2.926 0 40 BFAB Cn1c(-c2cccc(N)c2)nc2ccccc21 19734371 BDXPAXFHBGAKEH-UHFFFAOYSA-N 223.279 2.823 0 40 BFAB in-vitro Nc1ccc(F)c(NC(=O)c2ccc(F)cc2)c1 19736553 SNFIOWCWKFJBCF-UHFFFAOYSA-N 248.232 2.799 0 40 BFAB CCC[C@@H](C)NC(=O)Cc1cccc(F)c1 19934946 GLCDTORRHOQMBT-SNVBAGLBSA-N 223.291 2.673 0 40 BFAB CN(C(=O)Cc1ccccc1)C1CCCC1 20486724 ZHOHAAOWMVIIBF-UHFFFAOYSA-N 217.312 2.630 0 40 BFAB Cc1cc(NC(=O)CCc2ccsc2)no1 24152731 ZRKMCTFSRCOGNE-UHFFFAOYSA-N 236.296 2.616 0 40 BFAB CN(C(=O)C1CCC1)[C@H]1CCc2ccccc21 32905287 SOADSGSCZNRCGW-AWEZNQCLSA-N 229.323 2.932 0 40 BFAB CC[C@@H](C)C(=O)c1ccc2c(c1)CCO2 36942073 JKMLNAVGIBEUQT-SECBINFHSA-N 204.269 2.850 0 40 BFAB COc1ccc(CNCC2CCC2)c(OC)c1 37180353 AWEOTOFAOVCVJQ-UHFFFAOYSA-N 235.327 2.594 0 40 BFAB in-vitro CSc1ccc(C(=O)C(F)F)cc1 39055317 YXAXTRNDXKXCDW-UHFFFAOYSA-N 202.225 2.856 0 40 BFAB N[C@H](Cc1cccc(O)c1)c1ccccc1 39233822 OJFWQWXBRSFWSM-CQSZACIVSA-N 213.280 2.635 0 40 BFAB in-vitro CC(C)CSc1nc(C(C)(C)C)n[nH]1 40034460 WVRRCKZKBPVCBH-UHFFFAOYSA-N 213.350 2.850 0 40 BFAB COc1cccc(C(=O)c2ccccc2N)c1 41248102 HHQKICDONQKXLJ-UHFFFAOYSA-N 227.263 2.508 0 40 BFAB O=C(O)c1coc(-c2ccccc2Cl)n1 51075291 JCTPIMMYZXXKLG-UHFFFAOYSA-N 223.615 2.693 0 40 BFAB in-vitro CCCCC(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1 67092249 MEKBJIIOPYRKCD-CHWSQXEVSA-N 235.302 2.988 0 40 BFAB CSc1ccc([C@@H]2CCCCN2C)cn1 72216896 IVPWLIHNMAMDGA-NSHDSACASA-N 222.357 2.960 0 40 BFAB OCc1cc(Br)cc(Cl)c1F 75844581 XBMBFMBFSYHKRI-UHFFFAOYSA-N 239.471 2.734 0 40 BFAB COc1ccc(OC(=O)c2ccoc2)cc1OC 76091015 ZEJWVEYKWMYBGY-UHFFFAOYSA-N 248.234 2.516 0 40 BFAB C[C@@H]1CN(CCCCCCO)C(C)(C)C1 89920350 XHOHTEPLGIZVNY-LBPRGKRZSA-N 213.365 2.660 0 40 BFAB CCC[C@H](C)Nc1ccn(CC(F)F)n1 97037892 VUTVPZHVVFQQRU-QMMMGPOBSA-N 217.263 2.749 0 40 BFAB CCOC(CN1CC(C)(C)C1(C)C)OCC 97141157 OSEVBVBNDWCBFM-UHFFFAOYSA-N 229.364 2.506 0 40 BFAB CC(C)(C)c1ccc2[nH]nc(C(=O)O)c2c1 117900273 PAQJZSNHGABURD-UHFFFAOYSA-N 218.256 2.559 0 40 BFAB C[C@@H]1CC[C@H](N[C@@H]2CCCn3ncnc32)C[C@H]1C 252585903 LZYKDYVVWWDHAA-FVCCEPFGSA-N 248.374 2.527 0 40 BFAB C[C@H](c1ccccc1)N1CCN(C2CCC2)CC1 264952050 CAEISTJBZHGWQO-CQSZACIVSA-N 244.382 2.918 0 40 BFAB COc1ccc(OC)c2sc(C)nc12 236091 AEFJOOHKHROXDL-UHFFFAOYSA-N 209.270 2.622 0 40 BFAB Cc1ccccc1Nc1ncccc1C(=O)O 1329558 ZAYXWXOVWFNPTQ-UHFFFAOYSA-N 228.251 2.832 0 40 BFAB in-vitro COc1cc2ccc(C=O)cc2cc1OC 1762461 RZQXUJIIEVZZEM-UHFFFAOYSA-N 216.236 2.670 0 40 BFAB CC(C)(C)OC(=O)[C@H]1CC1(Cl)Cl 2145206 LJLQISYXQQRLDM-RXMQYKEDSA-N 211.088 2.522 0 40 BFAB COc1c(F)cc(/C=C/C(=O)O)cc1Cl 2528391 TXYFRPLDDJEWRI-NSCUHMNNSA-N 230.622 2.586 0 40 BFAB c1ccc2c(c1)NN1c3ccccc3NN21 2529753 ZWLJMBULOOVQIQ-UHFFFAOYSA-N 210.240 2.596 0 40 BFAB CCOC(=O)CC(=O)c1ccc(C(C)C)cc1 2575921 FQZYAOSIMPAQNW-UHFFFAOYSA-N 234.295 2.946 0 40 BFAB Cc1ccc(NC(=O)[C@@H]2CCCO2)c(Cl)c1 5937629 UUOQHUPITZBUOD-NSHDSACASA-N 239.702 2.766 0 40 BFAB CC1CCN(c2n[nH]c(=S)n2C2CC2)CC1 12505178 GJRSBHMBPMQTFZ-UHFFFAOYSA-N 238.360 2.512 0 40 BFAB c1ccc(Nc2nc3ccccc3o2)nc1 13236458 YMRWEBLZMFGRTH-UHFFFAOYSA-N 211.224 2.966 0 40 BFAB OC1(CNCCc2ccccc2)CCCCC1 14113709 YCXRRXDVSNYTGI-UHFFFAOYSA-N 233.355 2.514 0 40 BFAB C[C@H](C(=O)c1ccccc1)[C@H](O)c1ccccn1 15858178 BHXNDOUULLDMJT-ABAIWWIYSA-N 241.290 2.634 0 40 BFAB CC(C)(C)c1ccc(N2CCC(N)CC2)cc1 19514053 DORRRYRMXKSEGW-UHFFFAOYSA-N 232.371 2.912 0 40 BFAB in-vitro c1ccc2c(CN3CCOCC3)csc2c1 19801356 KMLVYAPRKUSISV-UHFFFAOYSA-N 233.336 2.734 0 40 BFAB CC[C@H](Oc1cccc(C)c1C)C(=O)NC1CC1 20104461 TUQFDABGCWEIAD-ZDUSSCGKSA-N 247.338 2.739 0 40 BFAB CC[C@@H](C)NC1CC(C)(C)NC(C)(C)C1 20143413 SBSPATXLLSMWKH-SNVBAGLBSA-N 212.381 2.684 0 40 BFAB CC(C)CCNC(=O)c1cn(C)c2ccccc12 20899671 SSHTUNGNLAGQKH-UHFFFAOYSA-N 244.338 2.954 0 40 BFAB Nc1nc(-c2ccccc2OC(F)F)cs1 22221277 AOQXJXJNVGKOTO-UHFFFAOYSA-N 242.250 2.994 0 40 BFAB O=C(O)/C=C\CCCCCCCCC(=O)O 31702886 MAZWDMBCPDUFDJ-CLFYSBASSA-N 228.288 2.833 0 40 BFAB biogenic O=C(O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl 32012989 NVHNBFOVILMVRL-NTSWFWBYSA-N 214.623 2.667 0 40 BFAB O=C(c1ccc(Cl)cc1)c1ccc(O)cc1O 32150500 OKCRKLJFFOUPLM-UHFFFAOYSA-N 248.665 2.982 0 40 BFAB CNCc1csc(-c2ccc(F)cc2)n1 35154785 VXNWUYGIEFYQJV-UHFFFAOYSA-N 222.288 2.669 0 40 BFAB COc1ccc(Oc2ccnc(Cl)n2)cc1 40448070 YCCIKDNPVQXGAP-UHFFFAOYSA-N 236.658 2.931 0 40 BFAB CCC(=O)Nc1cccc(-n2cc[nH]c2=S)c1 40512128 UAUNWANUQUMTFP-UHFFFAOYSA-N 247.323 2.883 0 40 BFAB CC[C@@](C)(N)c1nc(C(F)(F)F)cs1 41059561 OBTBURAQQBMMFH-SSDOTTSWSA-N 224.251 2.746 0 40 BFAB COCc1ccccc1NC(=O)c1ccoc1 46933088 SSSFCDDBOZWTKP-UHFFFAOYSA-N 231.251 2.678 0 40 BFAB N[C@@H](CC1CCOCC1)c1ccc(F)cc1 53789394 OPCKTZHXDWQCRC-ZDUSSCGKSA-N 223.291 2.642 0 40 BFAB Cc1cccc(Cn2cccc(C)c2=O)c1 69616025 RYENQESJQWJROQ-UHFFFAOYSA-N 213.280 2.513 0 40 BFAB OC[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 70453349 LQSFZWVYWMAVCT-APPZFPTMSA-N 216.202 2.801 0 40 BFAB COC(=O)c1cc(Cl)c2cccc(F)c2n1 71025610 IQOPIADCDCRFNV-UHFFFAOYSA-N 239.633 2.814 0 40 BFAB C[C@@H](CC(=O)Nc1ccccc1)[C@@H]1CCCCN1 72208224 QELAURNVUVCCQN-JSGCOSHPSA-N 246.354 2.793 0 40 BFAB CCCCCCOc1ccccc1[C@@H](O)CN 72220134 QPVBIJJQVIXYQS-ZDUSSCGKSA-N 237.343 2.638 0 40 BFAB Cc1cc(OCc2ccccc2)ncc1[C@H](C)N 72223429 RMHVMLOEFWYHHW-LBPRGKRZSA-N 242.322 2.989 0 40 BFAB Cc1ccc(NC(=O)NCc2ncc(C)o2)cc1 75105200 JNBGDFQJGLRDMG-UHFFFAOYSA-N 245.282 2.613 0 40 BFAB COC(=O)[C@H](NCc1ccc(C)cc1)C(C)(C)C 83381224 NRKVDURPEDMLMK-ZDUSSCGKSA-N 249.354 2.672 0 40 BFAB C1CC[C@@H]2CCN(c3nc(C4CC4)no3)[C@H]2C1 89818732 NPCVOFCJMBTDJU-KOLCDFICSA-N 233.315 2.716 0 40 BFAB CC(C)(C)C(=O)CSc1nccn1C1CC1 95947064 LJAUPXJSFDSYCQ-UHFFFAOYSA-N 238.356 2.925 0 40 BFAB COCCN[C@H]1CCc2cc(Cl)ccc21 96033261 FSHCJZFGUNDYKE-LBPRGKRZSA-N 225.719 2.563 0 40 BFAB Clc1ccc(C2=N[C@@H]3C=NN=C3S2)cc1 100012072 INYYIOVCDRRZIJ-MRVPVSSYSA-N 235.699 2.600 0 40 BFAB CCOC(=O)/C=C(\C)Nc1ccccc1OC 100027817 KDWLQQRXWOPXIU-MDZDMXLPSA-N 235.283 2.574 0 40 BFAB O=C([C@@H]1CC=CCC1)N1Cc2ccccc2C1 105980001 BNSDUOSMWFGGDR-GFCCVEGCSA-N 227.307 2.885 0 40 BFAB CCCO[C@H](Cc1cc(C)ccc1C)C(=O)O 225029782 NAVZJXWOZWLJAC-CYBMUJFWSA-N 236.311 2.726 0 40 BFAB CCNC(=O)c1cc(C(C)C)c(OC)cc1C 225654242 RBPURGNVBMSKBE-UHFFFAOYSA-N 235.327 2.877 0 40 BFAB CCC(CC)NC(=S)Nc1ccncc1 225801990 NRZJEWBXBQMNLV-UHFFFAOYSA-N 223.345 2.557 0 40 BFAB c1cc2c3c(ccc(C4CNC4)c3c1)CC2 380467235 BXPLBYAWJROSPE-UHFFFAOYSA-N 209.292 2.625 0 40 BFAB Cc1cc(OCc2ccccc2)cc2ncnn12 2362801572 YFMGWRYJDLPVBS-UHFFFAOYSA-N 239.278 2.617 0 40 BFAB COC(=O)CSc1cc(C)c2ccccc2n1 421427 GRJHPGDARKCPAL-UHFFFAOYSA-N 247.319 2.808 0 40 BFAB Cc1cc(OCCN(C)C)cc(C)c1Cl 1718680 VZKTVBHNALAIMG-UHFFFAOYSA-N 227.735 2.897 0 40 BFAB Cc1cccc(CC(=O)C(F)(F)F)c1 2518006 CXGINHIVNBDAKL-UHFFFAOYSA-N 202.175 2.669 0 40 BFAB CNc1nc(C)c(C(=O)Nc2ccccc2)s1 3547682 RDPUAFCEFQYDMJ-UHFFFAOYSA-N 247.323 2.746 0 40 BFAB O=C1O[C@H]2CCCC[C@@H]2[C@@H]1c1ccccc1 4720843 NHZLOUXGQVISND-AVGNSLFASA-N 216.280 2.886 0 40 BFAB CC(C)CC(=O)Nc1nonc1-c1ccccc1 5424591 OPWQLJSPEFMLBD-UHFFFAOYSA-N 245.282 2.721 0 40 BFAB C[C@H]1CCCN(Cc2cn3ccccc3n2)C1 14193656 IYMVAQWOCPSSNP-LBPRGKRZSA-N 229.327 2.566 0 40 BFAB C[C@H]1CCCCN1c1ccc(C(=O)O)cc1 15937425 SPRZVBOGDPANMG-JTQLQIEISA-N 219.284 2.764 0 40 BFAB F/C(=C(/F)C(F)(F)F)[C@H]1CCCO1 16159759 JTJSDRZZJRJZSL-QAWSSWINSA-N 202.122 2.878 0 40 BFAB CCN[C@H](C)c1ccccc1OC(F)F 19510302 NKTWRHTXYMFKHE-MRVPVSSYSA-N 215.243 2.959 0 40 BFAB c1cncc(CNCc2ccc3cc[nH]c3c2)c1 19737381 RXEGXMJUXHXGBP-UHFFFAOYSA-N 237.306 2.853 0 40 BFAB c1coc(CNCCc2cccs2)c1 19948605 TWRNUPARUWYOEQ-UHFFFAOYSA-N 207.298 2.673 0 40 BFAB FC(F)(F)c1ccccc1CNC1CC1 22562190 PTJOHRAGNISDHI-UHFFFAOYSA-N 215.218 2.957 0 40 BFAB O=[S@](O)c1cc(Cl)ccc1Cl 33793933 CAZDDRMAVQSBDV-UHFFFAOYSA-N 211.069 2.574 0 40 BFAB O=C1CCC[C@H](OCc2ccccc2)C1 34484863 DTRKMFPYPATAJO-ZDUSSCGKSA-N 204.269 2.715 0 40 BFAB in-vitro C[C@@H](CN)c1ccc(C(F)(F)F)cc1 37245903 ITHDKJGGQHUNHT-ZETCQYMHSA-N 203.207 2.768 0 40 BFAB CC(C)[C@H](C)NC(=O)CCOc1ccccc1 39975632 DAASIUHENUGBJD-LBPRGKRZSA-N 235.327 2.616 0 40 BFAB CC(C)=CCOc1cccc(CC(=O)O)c1 42417287 VBMWWWGCHHEABJ-UHFFFAOYSA-N 220.268 2.659 0 40 BFAB CC1(C)CC(=O)c2ccc(Cl)nc2C1 43829973 SROAFDPESDGHPQ-UHFFFAOYSA-N 209.676 2.890 0 40 BFAB in-vitro CCNC(=O)c1ccc(Cl)c2cccnc12 45881610 KVPBIYDYOPXQTF-UHFFFAOYSA-N 234.686 2.638 0 40 BFAB CC(C)[C@](C)(O)c1ccc(F)c(F)c1 55236780 AXHARHIOEYQEOU-NSHDSACASA-N 200.228 2.828 0 40 BFAB CCC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 55274559 FISZKMZDSPXLAU-HTQZYQBOSA-N 223.238 2.634 0 40 BFAB Cc1onc(-c2ccc(F)c(F)c2)c1C(=O)O 70426675 VSMGGTUFKRPYRY-UHFFFAOYSA-N 239.177 2.626 0 40 BFAB c1ccc(CN(CC2CCNCC2)C2CC2)cc1 79438019 MQZBCUAYWKIMJH-UHFFFAOYSA-N 244.382 2.651 0 40 BFAB Cc1cnc(NC(=O)CCC(F)(F)F)s1 79633095 BHFQGPFWGNNPRX-UHFFFAOYSA-N 238.234 2.733 0 40 BFAB CNc1ccc(CNC(=O)OC(C)(C)C)cc1 82710764 SSFHZITVVKTCQB-UHFFFAOYSA-N 236.315 2.753 0 40 BFAB CCOC(=O)c1coc(-c2cccc(OC)c2)n1 91297615 NERDIQSAFWMOHG-UHFFFAOYSA-N 247.250 2.527 0 40 BFAB CCC1(COc2ccc(N)cn2)CCC1 95093850 VQGPNIVWEMQJKB-UHFFFAOYSA-N 206.289 2.623 0 40 BFAB C[C@@H](O)Cc1ccc(F)c2ccccc12 96543451 HCIHDJJHPCXDBK-SECBINFHSA-N 204.244 2.902 0 40 BFAB COc1cccc2c1N=C1OC=C[C@@H]1[C@@H]2OC 103868176 LTDBEQPXTVWIGW-BXKDBHETSA-N 231.251 2.586 0 40 BFAB C[C@@H]1CCCCCN1C(=O)C1CC=CC1 104131551 HWJRXOSXSXDYTJ-LLVKDONJSA-N 207.317 2.744 0 40 BFAB Cc1ccccc1-c1nocc1CCC(=O)O 169676694 AUNURBYUBVOFIR-UHFFFAOYSA-N 231.251 2.667 0 40 BFAB COc1cc(NC(=O)c2ccoc2)ccc1F 189464467 MCAACMHVGQKOLJ-UHFFFAOYSA-N 235.214 2.680 0 40 BFAB CCOc1ccccc1N[C@@H]1CCCC[C@H]1N 218862253 ICGJAWFCWRXMLP-VXGBXAGGSA-N 234.343 2.767 0 40 BFAB Cc1ccccc1C[C@@H](OCC(C)C)C(=O)O 220687176 OIUVVGWHOQTYBK-CYBMUJFWSA-N 236.311 2.663 0 40 BFAB Cc1cc(NCCCN)c2cccc(C)c2n1 222684413 VOQQEZKSIXAPRH-UHFFFAOYSA-N 229.327 2.612 0 40 BFAB CCNCc1cc(C)n(CC(C)C)c1C 223659512 FBPCATIJEVWLDQ-UHFFFAOYSA-N 208.349 2.870 0 40 BFAB CCC(C)(C)NC(=S)Nc1cc(C)ccn1 225645705 PNAXHMMDLVDYJN-UHFFFAOYSA-N 237.372 2.865 0 40 BFAB COC(=O)CN1c2ccccc2[C@H](C)CC1(C)C 260622067 QUXFUQJWJQAIRM-LLVKDONJSA-N 247.338 2.952 0 40 BFAB O=C(Nc1ccccc1)NC1CC(F)(F)C1 277391222 DFUMCXRAYAUJHO-UHFFFAOYSA-N 226.226 2.606 0 40 BFAB Oc1c(F)ccc(F)c1OC(F)(F)F 1848350223 OGVYHRKUWIOXBI-UHFFFAOYSA-N 214.089 2.569 0 40 BFAB COC(C(=O)O)(c1ccccc1)c1ccccc1 463610 YNDNIPMGZASSRG-UHFFFAOYSA-N 242.274 2.661 0 40 BFAB Cc1nc(NC(=O)Cc2ccccc2)sc1C 563267 QNZAZOCLSQHAND-UHFFFAOYSA-N 246.335 2.941 0 40 BFAB CC1(C)COC(C)(c2ccccc2)OC1 1566544 AALXTPRRKXUUOM-UHFFFAOYSA-N 206.285 2.932 0 40 BFAB Cc1ccccc1C(=O)c1cc(O)ccc1O 1613565 WKOYCFOVGWYSII-UHFFFAOYSA-N 228.247 2.637 0 40 BFAB C=COC(=O)c1ccccc1C(=O)OCCCC 1712666 RPSHZLYXGHIQDZ-UHFFFAOYSA-N 248.278 2.944 0 40 BFAB CCOC(=O)CCCC(=O)c1ccccc1F 2378986 JWDJUKXKHBKNFO-UHFFFAOYSA-N 238.258 2.742 0 40 BFAB CC(=O)Oc1c(Cl)cccc1Cl 2382696 YNSMUWSJRXDNLN-UHFFFAOYSA-N 205.040 2.919 0 40 BFAB biogenic CN(C)CCc1c[nH]c2ccc(Cl)cc12 2599105 LXATUVRMTAHHDX-UHFFFAOYSA-N 222.719 2.925 0 40 BFAB Cc1cccc(NC2=N[C@H](C)CS2)c1 3308366 FWENXIRYYJLUSB-SECBINFHSA-N 206.314 2.898 0 40 BFAB Cc1ccc(/C=C/C(=O)O[C@H]2CCCCC2=O)o1 3361879 UFEPNFIFLMIIJK-XEHSLEBBSA-N 248.278 2.656 0 40 BFAB C1CC[C@H]2N[C@@H]3CCCC[C@@H]3S[C@H]2C1 5297555 MGTISLRHMWCSLR-WYUUTHIRSA-N 211.374 2.945 0 40 BFAB CCC[C@H](Nc1cc(C)cc(C)c1)C(=O)O 8702816 OKKMVSPNBHBLNI-LBPRGKRZSA-N 221.300 2.969 0 40 BFAB Fc1nc(F)c(Cl)c(-n2cccc2)c1F 12338668 HHXPDIUJXLMDDP-UHFFFAOYSA-N 232.592 2.943 0 40 BFAB CCCNC(=O)/C=C/c1nc2ccccc2s1 12694674 HZFATZGAACUWRS-BQYQJAHWSA-N 246.335 2.836 0 40 BFAB NC(=O)c1ccc(Oc2ccc(F)cc2)cc1 12926414 CEYGPPCYLMUUIU-UHFFFAOYSA-N 231.226 2.717 0 40 BFAB Cc1ccc(F)c(NC(=O)[C@H]2C[C@H]2C)c1 13019548 RUOMZFDQAPMCHO-BDAKNGLRSA-N 207.248 2.729 0 40 BFAB CC(=O)c1cnc(N2[C@@H](C)CCC[C@H]2C)nc1C 14607462 YQXVLIFVEFGIBQ-AOOOYVTPSA-N 247.342 2.755 0 40 BFAB CC(C)c1cccc(OC2CCNCC2)c1 14631915 FILIFQOSMXZHLL-UHFFFAOYSA-N 219.328 2.941 0 40 BFAB in-vitro NCCC[C@@H](c1cccs1)N1CCCC1 19674013 WCBNQXAKGVOHKR-NSHDSACASA-N 224.373 2.624 0 40 BFAB Cc1cc(C(F)(F)F)nc([C@@H]2CCCCN2)n1 19686178 YKIXMXKBFYOTNG-QMMMGPOBSA-N 245.248 2.618 0 40 BFAB CCOc1ccccc1[C@H]1C[C@@H]1[C@@H](C)N 20392365 MGOCNVGBTKLNMA-YUSALJHKSA-N 205.301 2.536 0 40 BFAB Cc1cccc(C(=O)Nc2ccc(Cl)cn2)n1 24934437 LLQFFQFZVGFPBB-UHFFFAOYSA-N 247.685 2.691 0 40 BFAB CN(C(=O)c1ccoc1)c1ccccc1 32841562 MMIJVYKATTZCRK-UHFFFAOYSA-N 201.225 2.556 0 40 BFAB Nc1cc(-c2ccsc2)ccc1C(=O)O 36294178 DEROVNREILSZBL-UHFFFAOYSA-N 219.265 2.696 0 40 BFAB in-vitro COC(=O)c1ccc(NC(C)C)c(C)c1 37099479 NMJWHSNUDASHKI-UHFFFAOYSA-N 207.273 2.602 0 40 BFAB in-vitro C[C@H](N)c1sccc1Br 37184033 ZWKSAVZOEYLRAF-BYPYZUCNSA-N 206.108 2.530 0 40 BFAB NC1(c2nc(-c3ccccc3)c[nH]2)CCCC1 37616905 JEYZYKNBEXCQEZ-UHFFFAOYSA-N 227.311 2.805 0 40 BFAB in-vitro CCc1c(C)nn(-c2cccc(C(=O)O)c2)c1C 40419813 ZRWXRQUSQLYWAS-UHFFFAOYSA-N 244.294 2.750 0 40 BFAB in-vitro c1ccc(CN(C[C@@H]2CCOC2)C2CC2)cc1 46091877 WVDANQLNZBZRDO-AWEZNQCLSA-N 231.339 2.688 0 40 BFAB NC(=O)[C@@]1(c2ccccc2)C[C@H]1c1ccccc1 51330286 BUIVWFXITQHJJQ-GOEBONIOSA-N 237.302 2.597 0 40 BFAB Cc1ccc(NC(=O)CC(C)C)cc1C(=O)O 58019730 XXQSPFRFTPIVIA-UHFFFAOYSA-N 235.283 2.678 0 40 BFAB Cc1cc(Br)c2nc(C)[nH]c2c1 62152736 DWBYZZLVEZFKAJ-UHFFFAOYSA-N 225.089 2.942 0 40 BFAB OC[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 62720364 CUHAGPDZUGMJIR-PSASIEDQSA-N 216.202 2.801 0 40 BFAB Oc1cc(-c2ccc(Br)cc2)no1 71976563 YABZERPSCWKKCO-UHFFFAOYSA-N 240.056 2.810 0 40 BFAB Cc1cc([C@@H]2CCCCN2C)cnc1N(C)C 72218634 XVTWSVYZDWZCQR-ZDUSSCGKSA-N 233.359 2.613 0 40 BFAB O=C(O)CCCOc1ccc2ccoc2c1 72219769 CNABCLPBGNSKOE-UHFFFAOYSA-N 220.224 2.676 0 40 BFAB CCCO[C@@H](C)c1ccc(CC(=O)OC)cc1 72220191 BIQPWVJYIJDBGO-NSHDSACASA-N 236.311 2.890 0 40 BFAB COCC(=O)Nc1c(Cl)cccc1Cl 75284565 KESWHZGUTZHABT-UHFFFAOYSA-N 234.082 2.578 0 40 BFAB CC(=O)N[C@H]1CCC[C@H]1Cc1ccccc1 78152234 QFLGJBVPCJJYCM-KBPBESRZSA-N 217.312 2.534 0 40 BFAB C=Cc1c(F)c(F)c(OC)c(F)c1F 80441130 TXDDBHZHCZRAJT-UHFFFAOYSA-N 206.138 2.895 0 40 BFAB COc1cc(Nc2ccccc2)ccc1NN 90526456 FMYQVASOYRASEY-UHFFFAOYSA-N 229.283 2.724 0 40 BFAB Cc1nc(N)sc1-c1ccnc([C@@H]2C[C@H]2C)n1 95629765 ZHTPRFXALUPNCR-HTRCEHHLSA-N 246.339 2.614 0 40 BFAB Cc1nn(C)cc1-c1csc(CC2CC2)n1 96009356 JAIGXRHVSLZAEI-UHFFFAOYSA-N 233.340 2.805 0 40 BFAB O=C(Cc1cccc(F)c1)N1CCC2(CC1)CC2 96051074 UBMKELWWSOTOKF-UHFFFAOYSA-N 247.313 2.771 0 40 BFAB CC1(NC(=O)CCCc2ccc(O)cc2)CCC1 96487236 QLTFAIFSNGZPOQ-UHFFFAOYSA-N 247.338 2.774 0 40 BFAB CCS(=O)(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1 96510163 MPILENOIGWDAOP-MNOVXSKESA-N 244.743 2.631 0 40 BFAB C[C@@H]1SCCN(C(=O)c2ccsc2)[C@H]1C 98010483 GDJVJNCMOWJSRA-IUCAKERBSA-N 241.381 2.714 0 40 BFAB c1ccc2cc(C[C@H]3CCCNC3)ncc2c1 102634511 YTFQYMDIMDBTBJ-GFCCVEGCSA-N 226.323 2.777 0 40 BFAB CCOC(=O)Cc1c[nH]c2cccc(C)c12 103552607 HJWYAGCEOSIHOJ-UHFFFAOYSA-N 217.268 2.582 0 40 BFAB CCOC(=O)[C@H]1[C@H]2C[C@@H]3C[C@H](C3(C)C)[C@]12C 104051760 GYYMNRWFIHTKHO-GOBQNSBTSA-N 222.328 2.868 0 40 BFAB Cn1cc(-c2csc(C(C)(C)C)n2)cn1 104142643 UKDUDBUINARIQA-UHFFFAOYSA-N 221.329 2.841 0 40 BFAB C[C@@H](NN)c1cc(Cl)sc1Cl 199535351 QCCDXBLPWGQISK-GSVOUGTGSA-N 211.117 2.579 0 40 BFAB CC[C@H](NC(=O)C1CC1)c1ccc(OC)c(C)c1 225387426 UOSRABOYZGJATR-ZDUSSCGKSA-N 247.338 2.981 0 40 BFAB CC(C)n1nccc1NCc1ccco1 256053641 SFRUJFIHEYCOSS-UHFFFAOYSA-N 205.261 2.669 0 40 BFAB O=C(N[C@@H]1CCC[C@@H]1F)c1ccc2cc[nH]c2c1 334343832 RQMSFOXSEKJLAE-NWDGAFQWSA-N 246.285 2.788 0 40 BFAB CCNC(=O)N[C@@H](C)Cc1cc2ccccc2o1 390828808 BVQGJXYRWUPULA-JTQLQIEISA-N 246.310 2.683 0 40 BFAB COc1cccc(C(=S)NCc2ccco2)c1 408578294 XGQPFGPVKWDZNY-UHFFFAOYSA-N 247.319 2.754 0 40 BFAB CC(=O)N1CCCCCCNCc2ccccc21 643587806 OMJQTLWTNGKYEV-UHFFFAOYSA-N 246.354 2.703 0 40 BFAB Cc1sc2ccccc2c1CC1=NCCN1 1721 NDNKHWUXXOFHTD-UHFFFAOYSA-N 230.336 2.754 0 40 BFAB in-man C[C@@H]1CCCC[C@H]1NC(=O)c1ccco1 141613 KOISEUVREFEOEJ-NXEZZACHSA-N 207.273 2.588 0 40 BFAB Cc1sc(N)[n+](C)c1-c1ccc(Cl)cc1 479831 KIHHEVYXNJPJGC-UHFFFAOYSA-O 239.751 2.784 0 40 BFAB c1cc(CCNC2CCCCC2)ccn1 1596496 AXJLFWDTDYSRSK-UHFFFAOYSA-N 204.317 2.546 0 40 BFAB Cc1ccc2nc(Cl)nc(Cl)c2n1 1716578 NOZYRUURZZGLKF-UHFFFAOYSA-N 214.055 2.640 0 40 BFAB in-vitro CCOC(=O)c1cccc(C(=O)C2CCC2)c1 2514310 OVOBSXIMWGDCNH-UHFFFAOYSA-N 232.279 2.846 0 40 BFAB CCc1cccc(C)c1NC(=O)c1cnccn1 3548636 CFQGEMHGBOVNNS-UHFFFAOYSA-N 241.294 2.600 0 40 BFAB Oc1ccccc1-c1nc(-c2cccnc2)no1 4993407 QBBHZWQUEGMLNU-UHFFFAOYSA-N 239.234 2.504 0 40 BFAB Cc1ccc(C(=O)N2[C@@H](C)CCC[C@@H]2C)o1 5618443 CEJRJPOCDXJGHC-UWVGGRQHSA-N 221.300 2.991 0 40 BFAB O=C(O)c1c(O)ccc2c1[nH]c1ccccc12 5935080 HQOBDLCAOWRBOU-UHFFFAOYSA-N 227.219 2.725 0 40 BFAB c1csc(CSc2ncnc3[nH]cnc23)c1 8581255 HHDJTNXKGYVXHL-UHFFFAOYSA-N 248.336 2.707 0 40 BFAB Cc1ccc(CNC(=O)Nc2cccnc2)cc1 9220408 ZWVIQKNIVOOEPN-UHFFFAOYSA-N 241.294 2.712 0 40 BFAB O=C(NCc1ccc(F)cc1)Nc1cccnc1 9378796 XHUKGCQFJDEXNJ-UHFFFAOYSA-N 245.257 2.542 0 40 BFAB CCn1cc(C[C@@H](C)N)c2cc(F)ccc21 9423354 CIXNMRWJAXYWFF-SECBINFHSA-N 220.291 2.690 0 40 BFAB C[C@@H]1c2cccn2CCN1C(=O)CC(C)(C)C 12985051 GISZFBKBOANLRB-LLVKDONJSA-N 234.343 2.828 0 40 BFAB O[C@@]12CCCC[C@@H]1[C@@H](c1ccc(F)cc1)NCC2 13494673 DQJVTBCKCFMOEZ-RBSFLKMASA-N 249.329 2.781 0 40 BFAB CC(=O)c1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 19870990 BHKSEAKLXNVZNY-QWRGUYRKSA-N 233.311 2.503 0 40 BFAB Cc1n[nH]cc1CNc1cnc2ccccc2c1 36990074 MDVZSHWOOSBJLU-UHFFFAOYSA-N 238.294 2.878 0 40 BFAB Nc1nc(Cc2c(Cl)cccc2Cl)no1 39274963 JAAQTIWONZOIQP-UHFFFAOYSA-N 244.081 2.549 0 40 BFAB CC(C)CSc1nnc(-c2ccco2)n1C 41294538 JBSOZHCOGFJGKX-UHFFFAOYSA-N 237.328 2.823 0 40 BFAB O=C(CC(F)(F)F)Nc1ccc(F)cc1 43068426 UTRBPAUYADUJMT-UHFFFAOYSA-N 221.153 2.717 0 40 BFAB Cc1ccc(C(=O)c2cccc(C)c2)nc1 45028529 XEMHJWSILIBAPR-UHFFFAOYSA-N 211.264 2.929 0 40 BFAB CC[C@]1(c2ccc(Br)cc2)C[C@H]1N 52126174 YQOFNSJFQSYKQC-GHMZBOCLSA-N 240.144 2.828 0 40 BFAB in-vitro N=C(NC1CCCCC1)c1ccccc1 59925033 FNEAZWBKUPLXSO-UHFFFAOYSA-N 202.301 2.934 0 40 BFAB Nc1ccc(C2CC2)c(Br)c1 72193377 LSCCHHKIMSWESC-UHFFFAOYSA-N 212.090 2.909 0 40 BFAB CCCN1CCC[C@@H]1c1cnccc1C 72211399 LUVZOPHKIFDYFE-CYBMUJFWSA-N 204.317 2.937 0 40 BFAB CCCCN1CCC[C@H]1c1ccc(N)nc1C 72218566 IBSKPVLEQCOIGW-ZDUSSCGKSA-N 233.359 2.909 0 40 BFAB Cc1cc([C@H](N)c2ccccc2)cnc1S 72222749 UIHKFRSIWUQTAG-GFCCVEGCSA-N 230.336 2.727 0 40 BFAB CCCN(C#N)c1nccc(-c2ccccc2)n1 72467793 IXRTZGKYUMEEIR-UHFFFAOYSA-N 238.294 2.841 0 40 BFAB C[C@H]1CCC[C@@H](C)N1C(=O)[C@H]1CCCS1 73320319 KUICHCGNVMQXBC-OUAUKWLOSA-N 227.373 2.672 0 40 BFAB O=C(Nc1ccc2nccn2c1)c1ccccc1 74859414 XYXZMNYAOYWRAH-UHFFFAOYSA-N 237.262 2.587 0 40 BFAB O=C(c1nccs1)c1ccccc1F 75872257 IRMUXAKARKVRNB-UHFFFAOYSA-N 207.229 2.513 0 40 BFAB CCc1csc(NC(=O)N(CC)CC)n1 76082147 UHICBJDJQLVZEL-UHFFFAOYSA-N 227.333 2.579 0 40 BFAB CC(C)COc1ccccc1[C@@H]1C[C@H]1CN 80441735 RJVKMTDEGZFHTQ-WCQYABFASA-N 219.328 2.784 0 40 BFAB in-vitro Cc1oc(-c2ccc(F)cc2)cc1CN 82639734 PJAMHXWUNUDYBY-UHFFFAOYSA-N 205.232 2.853 0 40 BFAB F/C(=C(\F)C(F)(F)F)[C@@H]1CCCO1 83309317 JTJSDRZZJRJZSL-SSMJNKEUSA-N 202.122 2.878 0 40 BFAB CCCCNC(=O)c1cccc2ncccc12 84744607 POVGUFJNVCXPKM-UHFFFAOYSA-N 228.295 2.765 0 40 BFAB C(=C/c1nc(C2CC2)no1)\c1ccccn1 89878907 VNULEYMNNUFQBT-VOTSOKGWSA-N 213.240 2.512 0 40 BFAB COc1ccc2c(=O)c(C(C)C)c(C)[nH]c2c1 95534969 MWYHAEQVKTWHDU-UHFFFAOYSA-N 231.295 2.969 0 40 BFAB CC(C)[C@@H]1OCC[C@H]1CNC(=O)OC(C)(C)C 96454042 VYPPPEXWROLDMF-QWRGUYRKSA-N 243.347 2.572 0 40 BFAB COCC[C@H](C)Nc1cccc(N(C)C)c1C 97095492 OWVKMSFWMRURKN-NSHDSACASA-N 236.359 2.898 0 40 BFAB CCN(CC)c1ccc([C@@H]2C[C@@H]2[C@H](C)N)cc1 108350516 PSLMPRXZPHIWIW-GLQYFDAESA-N 232.371 2.984 0 40 BFAB Fc1ccccc1N1CCN[C@H]2CCCC[C@@H]21 225713246 RYHIDRPAONDWLG-JSGCOSHPSA-N 234.318 2.547 0 40 BFAB CCCCNCc1ccc(CC)n1CC 226019649 HUEUXQNHIKORMI-UHFFFAOYSA-N 208.349 2.960 0 40 BFAB CN1[C@H]2CC[C@@H](Cc3cccc(N)c3)[C@H]1CC2 252497360 QEUXYKJJZOYLDP-AEGPPILISA-N 230.355 2.684 0 40 BFAB CC(=O)CCOCCCC(F)(F)C(F)(F)F 1083807033 SIQQEMPWDKBTDC-UHFFFAOYSA-N 248.191 2.960 0 40 BFAB CC[C@@H](Oc1ccccc1)C(=O)NC(C)(C)C 580026 VMIYWUBLTPXGOH-GFCCVEGCSA-N 235.327 2.759 0 40 BFAB COc1ccc(OP2OC[C@H](C)O2)cc1 1560438 HMPSKQGKHXJJNK-CYQMCQFNSA-N 228.184 2.736 0 40 BFAB COc1ccc2cc(N3CCCC3=O)ccc2c1 1654201 LOQGKIPWOPYMKX-UHFFFAOYSA-N 241.290 2.975 0 40 BFAB CCCOC(=O)CCCCCC(=O)OCCC 1682726 PKQHRIXOXXYVJL-UHFFFAOYSA-N 244.331 2.843 0 40 BFAB CCCC(=O)CCCCCC(=O)OCC 2379066 KVJDBWMBTHGWQT-UHFFFAOYSA-N 214.305 2.869 0 40 BFAB COc1ccc2oc(C(=O)C3CC3)c(N)c2c1 2489128 IDGJAOSBVMWCRL-UHFFFAOYSA-N 231.251 2.616 0 40 BFAB CCc1ccc2nc(NC(C)=O)sc2c1 3294536 NCYFJUPBKNGVID-UHFFFAOYSA-N 220.297 2.817 0 40 BFAB CCOc1cc(/C=C/C(=O)O)cc(Cl)c1O 3336029 HFFUHTSAEWCRBF-ONEGZZNKSA-N 242.658 2.542 0 40 BFAB CNC(=O)n1c(=S)oc2cc(Cl)ccc21 4413817 XPPBWWWOPMWOHR-UHFFFAOYSA-N 242.687 2.805 0 40 BFAB COc1ccccc1/C=C/C(=O)NC(C)(C)C 4674945 NBWPZZPPGSJZIJ-MDZDMXLPSA-N 233.311 2.623 0 40 BFAB Cn1nc(C(C)(C)C)cc1NC(=O)C1CCCC1 12945181 REDUQEKUZMPYKO-UHFFFAOYSA-N 249.358 2.846 0 40 BFAB COc1ccccc1CNc1cccnc1 19884132 OKZUTXFOGGWZIE-UHFFFAOYSA-N 214.268 2.702 0 40 BFAB Clc1ccc(-c2cnc3n2CCOC3)cc1 27526677 RTJPXOUZESLACN-UHFFFAOYSA-N 234.686 2.734 0 40 BFAB CC(C)(C)[C@H]1CCc2[nH]c(=O)sc2C1 34669849 HUFUSTAOUGGSMK-ZETCQYMHSA-N 211.330 2.587 0 40 BFAB in-vitro CC(C)Cc1ccc(-c2c[nH]c(N)n2)cc1 36159262 OOLIIYFKQIOQKO-UHFFFAOYSA-N 215.300 2.857 0 40 BFAB in-vitro Cc1cc(=O)c2cc(Cl)ccc2n1C 40164077 LICOSTPUCZUZOI-UHFFFAOYSA-N 207.660 2.500 0 40 BFAB CCOc1ccccc1OCC[C@@H]1CCCNC1 42772396 CTSQSHPXGVXSAM-ZDUSSCGKSA-N 249.354 2.854 0 40 BFAB COCCCN1CCC[C@@H]1c1cccs1 51230653 JOLRCWGZWUSXPX-LLVKDONJSA-N 225.357 2.922 0 40 BFAB COc1ccc(C2(N)CCCC2)cc1F 55261862 XSNQVEVGPUKCGU-UHFFFAOYSA-N 209.264 2.562 0 40 BFAB CCCNC(=O)N[C@H](C)c1ccccc1C 57580424 RPXHUESLSABRSR-LLVKDONJSA-N 220.316 2.765 0 40 BFAB Cc1cc(CN2C[C@@H](C)Oc3ccccc32)no1 71897396 LVNFEYDGPQCSGX-LLVKDONJSA-N 244.294 2.771 0 40 BFAB CC[C@H](C)Nc1ncccc1[C@@H]1CCCN1 72213358 VNYKYDZEJMZBPX-JQWIXIFHSA-N 219.332 2.717 0 40 BFAB C[C@H](N)c1ccc(N(C)Cc2ccccc2)nc1 72225373 DTIYWMLQZYEJDB-LBPRGKRZSA-N 241.338 2.738 0 40 BFAB O=c1c2ccccc2ccn1-c1ccc(O)cc1 75629401 IOQLQCNDZDXQEY-UHFFFAOYSA-N 237.258 2.696 0 40 BFAB C[C@@H](C1CC1)N(C)C(=O)N[C@H](C)c1ccccn1 79213015 HBTQPSFSJDWGOJ-MNOVXSKESA-N 247.342 2.583 0 40 BFAB CN[C@H]1CCCN(CC/C=C/c2ccccc2)C1 79438625 DGTDJSRJDUTUEK-YKXBDCQTSA-N 244.382 2.774 0 40 BFAB CCC(=O)NC[C@H](CC)Oc1cccc(F)c1 84561095 DWEZQALHFLMFMA-NSHDSACASA-N 239.290 2.509 0 40 BFAB C[C@H](O)C[C@H]1CCCN1CCCc1ccccc1 89895291 XBVFRGAFHZFZRO-GOEBONIOSA-N 247.382 2.855 0 40 BFAB CCc1ocnc1C(=O)N1CCC[C@H]2CCC[C@H]21 95961476 LAQCBEDXJHOIOM-GHMZBOCLSA-N 248.326 2.642 0 40 BFAB O=C1CCc2cc(Cl)c(Cl)cc2N1 96306746 RVFQSZHCJZOOLT-UHFFFAOYSA-N 216.067 2.878 0 40 BFAB in-vitro C[C@H](O)C1CCN(CCC2CCCC2)CC1 96424216 JQTWDDASCGCHRC-LBPRGKRZSA-N 225.376 2.660 0 40 BFAB CC[C@@H](C)Nc1cccc([S@](C)=O)c1 97232076 QKMSWBPTRZAAAC-YMTOWFKASA-N 211.330 2.634 0 40 BFAB COc1ccc(C(=O)Nc2cccnc2C)cc1 98016016 OHVHAPOHAULQCU-UHFFFAOYSA-N 242.278 2.651 0 40 BFAB CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](F)C1 107261450 LMGCOGYRDPYGEQ-DTWKUNHWSA-N 217.284 2.792 0 40 BFAB O=C(CC(=O)C(F)F)c1ccccc1Cl 138774869 GGLIUMUGPSUQOT-UHFFFAOYSA-N 232.613 2.747 0 40 BFAB CCc1ccccc1N(CC)CCCC(=O)O 139716249 IXOVNFZQXBGMSW-UHFFFAOYSA-N 235.327 2.940 0 40 BFAB COCCOc1ccccc1-c1nccs1 187214494 WETWUYFHTMUZFB-UHFFFAOYSA-N 235.308 2.835 0 40 BFAB ClB(Cl)c1ccc(Br)cc1 195763406 HWXPKMJHFMZILM-UHFFFAOYSA-N 237.720 2.622 0 40 BFAB C1CCC(N2CCN[C@@H]3CCCC[C@H]32)CC1 218827589 KLNNTSMKRXXOKT-ZIAGYGMSSA-N 222.376 2.536 0 40 BFAB CCCn1cc(NCc2ccnn2CCC)cn1 256049677 AXPYZIWBWXJJJU-UHFFFAOYSA-N 247.346 2.512 0 40 BFAB Cc1nn(C(C)C)cc1NCc1cccn1C 256051922 LBWQXFPCWRWNFJ-UHFFFAOYSA-N 232.331 2.723 0 40 BFAB Cc1cnc(Nc2cccc(C)c2C)nc1O 408980918 UKJVQOHETZLZBX-UHFFFAOYSA-N 229.283 2.851 0 40 BFAB Cc1cncc([C@@H]2CCCN2CC2(C)COC2)c1 879750238 OGEWKQRYYUOSDB-AWEZNQCLSA-N 246.354 2.563 0 40 BFAB Cc1ccc(Oc2ncccc2F)cn1 1888866370 NDTKBMKAHZIIIZ-UHFFFAOYSA-N 204.204 2.716 0 40 BFAB CCOC(=O)/C(F)=C/c1cccc(F)c1 1625466 RTEWJEUZJAVZEA-YFHOEESVSA-N 212.195 2.699 0 40 BFAB CCOc1cccc(I)c1 2568104 UIGQMEPFSWIPHM-UHFFFAOYSA-N 248.063 2.690 0 40 BFAB C[C@H]1CCc2ccc(CC[C@@H](C)O)cc2N1 3844784 VQCFFZSNUJTBPB-WDEREUQCSA-N 219.328 2.747 0 40 BFAB biogenic Nc1cccc(NC(=O)C2CCCCC2)c1 8703416 LUBKHQVZKMSXIE-UHFFFAOYSA-N 218.300 2.788 0 40 BFAB in-vitro C[C@H]1CCCCN1C(=O)c1n[nH]c2ccccc12 12525510 IYOLHNHNMZPKQW-JTQLQIEISA-N 243.310 2.578 0 40 BFAB CC(C)N(C)CC(=O)Nc1ccc(Cl)cc1 12685073 ASKIGRNOGXRBSL-UHFFFAOYSA-N 240.734 2.619 0 40 BFAB O=C(NCC1CCCCC1)c1ccoc1 12919172 MELMZCPNELIZDB-UHFFFAOYSA-N 207.273 2.590 0 40 BFAB Nc1scc(-c2ccc(F)cc2)c1C(=O)O 26545079 NBUHILSMRICJEC-UHFFFAOYSA-N 237.255 2.835 0 40 BFAB COC(=O)N1CCCCc2ccccc21 34611302 ATTPQCBJUWLLMW-UHFFFAOYSA-N 205.257 2.596 0 40 BFAB CNCc1c(C)nn(-c2ccc(Cl)cc2)c1C 40443680 ODUFXDRCGJMDFI-UHFFFAOYSA-N 249.745 2.862 0 40 BFAB in-vitro O=C(O)c1cnc2ccccc2c1Cl 40456507 HJSCQRDGGJZGJH-UHFFFAOYSA-N 207.616 2.586 0 40 BFAB in-vitro C[C@H]1CCCC[C@H]1NC(=O)Nc1ccccn1 43046652 RUGIGKJIFDGPIU-WDEREUQCSA-N 233.315 2.782 0 40 BFAB O=C(Nc1c(F)cccc1F)c1ccccn1 44866577 NAQFLGPPQGNWHV-UHFFFAOYSA-N 234.205 2.612 0 40 BFAB Cc1cccnc1C(=O)c1cc(F)ccc1F 45028690 KSMXTNLXXPHBOJ-UHFFFAOYSA-N 233.217 2.899 0 40 BFAB Fc1cccc(CN2CCSCC2)c1F 47987572 HQIRTXYNGGKRJN-UHFFFAOYSA-N 229.295 2.514 0 40 BFAB CC(C)[C@@](C)(O)c1cc(F)cc(F)c1 55192004 RZZZGYZHRWQGTG-LLVKDONJSA-N 200.228 2.828 0 40 BFAB Cc1ccccc1/C=C/c1cc(C(=O)O)no1 64875981 SPKPNQBQUSJUCK-VOTSOKGWSA-N 229.235 2.852 0 40 BFAB COc1cc(F)ccc1NCc1cc(C)on1 69595138 GADVVUKQABQDNO-UHFFFAOYSA-N 236.246 2.743 0 40 BFAB C[C@H]1CCCCN1C(=O)Cc1cccc(F)c1 75496674 HBFRQJZVZRIEPX-NSHDSACASA-N 235.302 2.769 0 40 BFAB Cc1cccc(F)c1C(=O)NC1CCCC1 79069011 BLWRXPUVQGOHAV-UHFFFAOYSA-N 221.275 2.807 0 40 BFAB OC1(Cc2ccc(F)cc2Cl)CCOCC1 83504156 ZJANLJKRKLWCSP-UHFFFAOYSA-N 244.693 2.563 0 40 BFAB Cc1cc(NC(=O)[C@@H](C)c2ccccc2)no1 85423499 ZAZINBJTGAGIRT-JTQLQIEISA-N 230.267 2.725 0 40 BFAB CN(C)C(=O)c1ccc(Oc2ccccc2)nc1 89312109 KGSGOQZZQDWWGL-UHFFFAOYSA-N 242.278 2.576 0 40 BFAB Clc1cnc(N[C@@H]2CC=CCC2)nc1 93538252 MLSYPSFDEYUWLK-SECBINFHSA-N 209.680 2.651 0 40 BFAB C[C@H](NCc1ccccn1)c1ccccc1N 95097486 ANHSSVFECPRFHA-NSHDSACASA-N 227.311 2.515 0 40 BFAB Cc1cccc2cc(Br)c(N)nc12 95098185 SJBDFTOHZAHTNY-UHFFFAOYSA-N 237.100 2.888 0 40 BFAB CC(C)Oc1ccc(N[C@@H]2CCOC2)c(F)c1 95978143 HGSGZPGRQQIWJV-SNVBAGLBSA-N 239.290 2.814 0 40 BFAB COc1cccc2c1C1[C@H]3C4C5[C@@H]3C2[C@@H]5[C@H]14 104286324 PHICXBGTDAEVRO-UAXYONPLSA-N 210.276 2.628 0 40 BFAB Cc1ccc(N2CCN[C@@H]3CCC[C@H]32)c(C)c1 218845580 OAUPNICRQQYBGA-UKRRQHHQSA-N 230.355 2.634 0 40 BFAB CCCn1c(C=O)ccc1Cc1ccco1 226031209 QMUAOUDUFNLRGK-UHFFFAOYSA-N 217.268 2.894 0 40 BFAB Cc1nc(N(C)CC2CCC2)c2ccncc2n1 1888843156 OKBAASXEBGBNPY-UHFFFAOYSA-N 242.326 2.570 0 40 BFAB