smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(=O)Nc1ccc(OC(F)(F)F)cc1 128879 QQRLAETWHFRNQH-UHFFFAOYSA-N 219.162 2.544 0 50 BFAA Cn1c(-c2ccncc2)nc2ccccc21 283832 JFHRYURGMJNMJG-UHFFFAOYSA-N 209.252 2.635 0 50 BFAA CCN(CC)C(=O)Nc1cccc(F)c1 399827 RAJFRKGVVAYAAT-UHFFFAOYSA-N 210.252 2.699 0 50 BFAA CCCCC[C@H]1COCC[C@@H]1OC(C)=O 2166744 VSRVCSJJKWDZSH-RYUDHWBXSA-N 214.305 2.535 0 50 BFAA OCc1ccc(OC(F)(F)F)c(Cl)c1 2382250 KPYSDIQXFHKDPU-UHFFFAOYSA-N 226.581 2.731 0 50 BFAA in-vitro CC(C)(C)c1cc(N)n(-c2ccc(F)cc2)n1 2527280 BYZGQEFEOZXWRO-UHFFFAOYSA-N 233.290 2.891 0 50 BFAA CCCC[C@@H](CC)CNC(=O)OCC 2757269 IZQLXUAFAGUBOC-SNVBAGLBSA-N 201.310 2.949 0 50 BFAA CNCCCOc1cccc(C(F)(F)F)c1 5013508 RTEFURXBAPKRSF-UHFFFAOYSA-N 233.233 2.694 0 50 BFAA O=C(O)CCCOc1ccccc1Cl 5175411 VWIPYKNRDUDVDQ-UHFFFAOYSA-N 214.648 2.584 0 50 BFAA in-vitro Cc1ccccc1NC(=O)c1c(Cl)cnn1C 6730850 TXQADUVGURENOT-UHFFFAOYSA-N 249.701 2.634 0 50 BFAA O[C@@H](CCc1ccncc1)c1ccccc1 15782545 XGBCDHNPEDEGIE-AWEZNQCLSA-N 213.280 2.748 0 50 BFAA CCN(CC)CCN(C)Cc1cccs1 19637420 QQCPVRGKZQZXIY-UHFFFAOYSA-N 226.389 2.522 0 50 BFAA O[C@H](CNc1ccccc1)c1ccccc1 32012826 GGMOJBRNGQDSQN-CQSZACIVSA-N 213.280 2.832 0 50 BFAA Clc1cccc(Nc2cccnc2)n1 32299853 NUFDTAFXFJULSE-UHFFFAOYSA-N 205.648 2.874 0 50 BFAA in-vitro Sc1nc2ncc(Br)cc2s1 38537856 BPZQUJMYTNAMLT-UHFFFAOYSA-N 247.142 2.743 0 50 BFAA in-vitro CCOC(=O)c1ncoc1-c1cccc(OC)c1 43304259 JBBPWAYMBOIZNA-UHFFFAOYSA-N 247.250 2.527 0 50 BFAA Cc1cccc(C)c1OC[C@@H](C)n1cnnc1 65470559 RPEDRYKBQVEFTQ-GFCCVEGCSA-N 231.299 2.535 0 50 BFAA CC(=O)c1ccc(Br)c(F)c1F 143091789 HOVLHMHPYDXOKE-UHFFFAOYSA-N 235.027 2.930 0 50 BFAA C[C@@H](C(=O)Nc1cccnc1)c1ccccc1 163509625 SJSPMOPYTYMRKU-LLVKDONJSA-N 226.279 2.824 0 50 BFAA Cc1c(Br)ccc2c1NCC2 196879747 JCTUCTVNFGEPHV-UHFFFAOYSA-N 212.090 2.726 0 50 BFAA O=C(O)c1ccc2cccnc2c1Cl 208556683 XJYQPWDNGCLCMV-UHFFFAOYSA-N 207.616 2.586 0 50 BFAA Nc1nccc2c(Br)ccc(F)c12 236366414 YFQOPQKRLZYDPV-UHFFFAOYSA-N 241.063 2.719 0 50 BFAA CC(C)[C@H](C(=O)Nc1ccccn1)n1cccc1 263587143 CRVPMCSEHPWZSC-CYBMUJFWSA-N 243.310 2.719 0 50 BFAA C[C@H](c1nc(-c2ccco2)n[nH]1)N1CCCCC1 822182793 XZLQOOGGESUWKM-SNVBAGLBSA-N 246.314 2.612 0 50 BFAA CC[C@H]1COC[C@H]1NCCCNc1ccccc1 863983187 DSOUEUCLJPMVEE-DZGCQCFKSA-N 248.370 2.503 0 50 BFAA COC(=O)c1cc2c(nc1Cl)C[C@@H](C)CC2 1775970453 NEFIKSZDJWPYSA-ZETCQYMHSA-N 239.702 2.646 0 50 BFAA Clc1cc([C@H]2CCCO2)c(Cl)nn1 1857780278 ZFEVYGDCNIPHIK-ZCFIWIBFSA-N 219.071 2.635 0 50 BFAA c1cn(Cc2ccsc2)c(C2CCOCC2)n1 1940195644 URFSJPOURZYKLC-UHFFFAOYSA-N 248.351 2.887 0 50 BFAA CCOc1ccc2c(c1)CCCN2C(=O)C1CC1 2325728268 PZKMLWGSIPXNSX-UHFFFAOYSA-N 245.322 2.775 0 50 BFAA CCC(CC)C(=O)NCc1ccccc1OC 299560 ZGZCLSSFCRXOFZ-UHFFFAOYSA-N 235.327 2.748 0 50 BFAA Oc1ccc2[nH]c(-c3ccccc3)nc2c1 309650 KRFPGLOJAGPDAA-UHFFFAOYSA-N 210.236 2.936 0 50 BFAA CC(C)(O)C(O)(c1ccccc1)c1ccccc1 399625 NEBPKRZOOBQYIN-UHFFFAOYSA-N 242.318 2.693 0 50 BFAA O=C(c1cccc(C(F)(F)F)c1)N1CCCC1 1056128 WPZYHLRFUZLONC-UHFFFAOYSA-N 243.228 2.941 0 50 BFAA C[C@H]1C[C@@H]1C(=O)Nc1ccc(Cl)cc1 3433568 LDOICKODKWUUEX-XVKPBYJWSA-N 209.676 2.935 0 50 BFAA C[C@H](NC(=O)CC(C)(C)C)c1ccncc1 12383946 ZKXVUAPVLUKWQU-JTQLQIEISA-N 220.316 2.695 0 50 BFAA Cc1ccc2c(Br)c[nH]c2n1 16678059 UUTGWFNTKXWYKP-UHFFFAOYSA-N 211.062 2.634 0 50 BFAA in-vitro FC(F)(F)c1cc(Br)ccn1 21985271 QHLLEZOPZRBCOY-UHFFFAOYSA-N 225.995 2.863 0 50 BFAA in-vitro Nc1ccc(C(F)(F)F)c2cccnc12 38586497 KJLQGKLEIKGMCQ-UHFFFAOYSA-N 212.174 2.836 0 50 BFAA CCC/C=C/c1cc(-n2cccn2)nc(C)n1 67880054 PWCJTIADYPCHKD-FNORWQNLSA-N 228.299 2.784 0 50 BFAA Fc1ccc2nccc(Br)c2n1 97054404 LYJLCBJPUTZONT-UHFFFAOYSA-N 227.036 2.531 0 50 BFAA in-vitro O=Cc1c[nH]c(-c2c(F)cccc2F)c1 115729758 MXBFZNQXHOXBIM-UHFFFAOYSA-N 207.179 2.772 0 50 BFAA O=C(O)c1n[nH]c2ccc(-c3ccccc3)cc12 146665779 NQLJPOQFWLZVCB-UHFFFAOYSA-N 238.246 2.928 0 50 BFAA CC(C)[C@@H](C)NC(=O)c1cnoc1-c1ccoc1 170607848 QGDIORREXMZASH-SECBINFHSA-N 248.282 2.709 0 50 BFAA C=CC(=O)N1CC[C@H](C)[C@@H]2CCCC[C@H]21 226956037 IWHQRAYKFVECER-SDDRHHMPSA-N 207.317 2.600 0 50 BFAA COC(=O)c1ccc(F)c(C)c1Cl 238390050 LRLNNIXUTMDFST-UHFFFAOYSA-N 202.612 2.574 0 50 BFAA Cc1cccnc1CN(C)CC[C@H]1CCCCO1 244874916 XJNOZXIEYXFKNL-CQSZACIVSA-N 248.370 2.781 0 50 BFAA CS[C@@H]1CCCC[C@H]1N[C@H]1C[C@H]2CC[C@H]1O2 309862398 NCXKYDUSDPHSGW-UJPOAAIJSA-N 241.400 2.570 0 50 BFAA Cc1ccncc1NC(=O)Cc1cccc(F)c1 336427063 MLLQAKCWQMHQOK-UHFFFAOYSA-N 244.269 2.710 0 50 BFAA Cc1ccc(-c2noc(C)c2C(=O)O)c(F)c1 675058188 XSNRCYCEPCQMEQ-UHFFFAOYSA-N 235.214 2.796 0 50 BFAA C[C@H]1C[C@H](C)CCN1c1nc(C2CC2)no1 685939598 ZSHIWJNXTUWEIT-BDAKNGLRSA-N 221.304 2.572 0 50 BFAA C[C@H](N[C@H]1C[C@@H](O)C1)c1coc2ccccc12 926552803 HJCRJUFKMABAQJ-GARJFASQSA-N 231.295 2.607 0 50 BFAA Cc1cc(F)ccc1-c1ccc2nncn2c1 1239737850 HFEONUODOVQFIA-UHFFFAOYSA-N 227.242 2.844 0 50 BFAA COCc1nnc(N[C@H](C)C2=CCCCC2)o1 1772706834 UURFRYNJKLEGMT-SECBINFHSA-N 237.303 2.517 0 50 BFAA COc1cccc(C(=O)N2CCC[C@H](C)C2)c1 30017 JWAHRASSBJEHBM-NSHDSACASA-N 233.311 2.567 0 50 BFAA Nc1ccc(-c2nc3cc(O)ccc3[nH]2)cc1 337256 IQJIBJPDMHIXSK-UHFFFAOYSA-N 225.251 2.518 0 50 BFAA CC(=O)Nc1ccc(NC(=O)C2CCCC2)cc1 363145 FMIUBAFYPMIGKY-UHFFFAOYSA-N 246.310 2.774 0 50 BFAA O=C(c1ccccc1)[C@H]1CCc2occc2C1=O 531120 WFEFTPWEVLUTLS-GFCCVEGCSA-N 240.258 2.908 0 50 BFAA c1ccc(-c2noc(-c3cccnc3)n2)cc1 860110 OSNJZOBBJYPFQR-UHFFFAOYSA-N 223.235 2.799 0 50 BFAA CCOc1ccccc1C(=O)N[C@H](C)CC 972012 ZZKWSCIRPRYHCE-SNVBAGLBSA-N 221.300 2.614 0 50 BFAA O=Cc1nc(-c2ccc(F)cc2)cs1 2582751 WFSOVONCIJOYCO-UHFFFAOYSA-N 207.229 2.762 0 50 BFAA in-vitro Cc1cc(C(=O)Nc2ncc(C)s2)c(C)o1 6969113 FDHNSPOSIILSBR-UHFFFAOYSA-N 236.296 2.914 0 50 BFAA CC(C)(C)Cc1ccccc1CC(=O)O 7023285 QEBXRDQVVQJEME-UHFFFAOYSA-N 206.285 2.902 0 50 BFAA CC(=O)Nc1ccc2[nH]c(-c3ccco3)nc2c1 8566008 GDUWMPAQQXMMFC-UHFFFAOYSA-N 241.250 2.781 0 50 BFAA CO[C@](F)(Cl)C(Cl)(Cl)Cl 8698334 WMHOLVCTBNVLOE-VKHMYHEASA-N 215.866 2.865 0 50 BFAA in-vitro CCCN(C(=O)[C@H]1CCCO1)c1cccc(C)c1 9196913 AFDQNCVYDXOMRC-CQSZACIVSA-N 247.338 2.917 0 50 BFAA O=S(=O)(O)/C(=C\Cl)CCc1ccccc1 43761468 ISQLLRCEDDIBAG-NTMALXAHSA-N 246.715 2.587 0 50 BFAA C[C@@](O)(CNC1CCCCC1)c1ccccc1 52097085 CTVQEDNSZFUDON-OAHLLOKOSA-N 233.355 2.816 0 50 BFAA Cc1ccc(NC(=O)C(C)(C)C)cc1O 68732615 ABOSOXSRKQXGLC-UHFFFAOYSA-N 207.273 2.685 0 50 BFAA in-vitro FC(F)(F)CN[C@H]1CCCc2cccnc21 85789422 CGGVGOVSZDYEAI-VIFPVBQESA-N 230.233 2.611 0 50 BFAA in-vitro Cc1nc2ccccc2n(CCCCCF)c1=O 95392194 VWGXBQXFQYQNSO-UHFFFAOYSA-N 248.301 2.845 0 50 BFAA COC(=S)Nc1ccc(Cl)cc1 165469264 JPPFKDRJECLIDS-UHFFFAOYSA-N 201.678 2.683 0 50 BFAA CC[C@H](NCc1nnc(C)o1)c1cccs1 184062489 XMZZYSRHXRPGOA-VIFPVBQESA-N 237.328 2.680 0 50 BFAA CCCCC[S@@](=O)c1nc(C)cs1 191174547 AKZFPGKROZDSFH-CYBMUJFWSA-N 217.359 2.749 0 50 BFAA CC/C=C/CC(=O)NCc1cncn1CC(C)C 252481060 CHJJKVQDJDKQPP-AATRIKPKSA-N 249.358 2.512 0 50 BFAA c1c[nH]c(COCCCCC2CCOCC2)n1 253419668 FKUKBTFVPNFFPN-UHFFFAOYSA-N 238.331 2.523 0 50 BFAA CCn1nccc1-c1ccc(OC)c(C(C)=O)c1 534636938 JJIWLCACVDIMFY-UHFFFAOYSA-N 244.294 2.781 0 50 BFAA CCOC(CCCN(CC)CC)OCC 584578360 IWOVPCWTSCISJK-UHFFFAOYSA-N 217.353 2.508 0 50 BFAA CC(C)c1ocnc1C(=O)N1C[C@H]2[C@H](C1)C2(C)C 685939522 JMZBPALLIUYGPI-UWVGGRQHSA-N 248.326 2.526 0 50 BFAA Cc1coc(C(=O)Nc2nccnc2C(C)C)c1 906425336 GBUGBPYKPRPARQ-UHFFFAOYSA-N 245.282 2.754 0 50 BFAA Nc1cncc2ccc(C(F)(F)F)cc12 953080566 AATRSHXQJDAUAI-UHFFFAOYSA-N 212.174 2.836 0 50 BFAA C=CC(=O)N[C@H](C)CSc1ccc(C)cc1 1120461083 XABZSSWUWXDJAI-LLVKDONJSA-N 235.352 2.778 0 50 BFAA COc1ccc(C)nc1-c1ccc(CCN)cc1 2356164351 PQKRNSMBZYASMP-UHFFFAOYSA-N 242.322 2.567 0 50 BFAA O=C(O)C(O)(C1CCCCC1)C1CCCCC1 80873 LZEAYFSRBRGLSF-UHFFFAOYSA-N 240.343 2.963 0 50 BFAA CC1=C[C@H](c2ccccc2)NC(S)=N1 324748 KHCZLACEZABOFR-SNVBAGLBSA-N 204.298 2.521 0 50 BFAA NC(=O)c1c(C(F)(F)F)ccc(Cl)c1F 2382040 OQHHVMDGJULHEK-UHFFFAOYSA-N 241.571 2.597 0 50 BFAA Clc1ccc(OCCN2CCCC2)cc1 4990008 ITYRJDDYCBIJES-UHFFFAOYSA-N 225.719 2.815 0 50 BFAA O=c1cc(CN2CCCCC2)c2ccccc2[nH]1 6494053 GECKEQUEMQXTCF-UHFFFAOYSA-N 242.322 2.514 0 50 BFAA in-vitro CC(=O)Nc1nc2cc(Cl)ccc2s1 8560637 BWCVOBISDLHAFZ-UHFFFAOYSA-N 226.688 2.908 0 50 BFAA CCN(CC)C(F)(F)[C@H](F)C(F)(F)F 19616412 BNTFCVMJHBNJAR-RXMQYKEDSA-N 223.160 2.821 0 50 BFAA Brc1ccccc1-c1c[nH]cn1 21953255 FELOTSCACKQLHT-UHFFFAOYSA-N 223.073 2.839 0 50 BFAA in-vitro CCOC(=O)C1=C(OC(=O)C(C)(C)C)CCC1 43214734 CWVGMHRXMDGMKT-UHFFFAOYSA-N 240.299 2.577 0 50 BFAA COC(=O)c1cc(F)cc(C(F)(F)F)c1 44199512 BXNCKBUAJFSEEI-UHFFFAOYSA-N 222.137 2.631 0 50 BFAA Fc1ccc(C2OCCO2)cc1Br 44227997 OATOZCSPTSMOIY-UHFFFAOYSA-N 247.063 2.634 0 50 BFAA O=C(O)c1c(F)c(Cl)cc(F)c1Cl 67800177 WPPSGZAMTMJKIJ-UHFFFAOYSA-N 226.993 2.970 0 50 BFAA COC(=O)c1c[nH]cc1[C@@H](C)c1ccccc1 71864054 ILJFLMISHGBYCJ-JTQLQIEISA-N 229.279 2.953 0 50 BFAA in-vitro CC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 75844369 SNKHKDIMKZEHIA-UHFFFAOYSA-N 249.310 2.914 0 50 BFAA CC1(C)CC(=O)Nc2c(Cl)cccc21 95496139 DKDXVAZEBXCVKQ-UHFFFAOYSA-N 209.676 2.960 0 50 BFAA CC[C@H](NCCCO)c1cccc(Cl)c1F 135042037 ZYQSDAJJRUDYSM-NSHDSACASA-N 245.725 2.902 0 50 BFAA CC(C)(C)OC(=O)Cc1cccnc1Cl 199830010 JCLLWIAONURJSH-UHFFFAOYSA-N 227.691 2.619 0 50 BFAA CCC[C@H]1CN(c2ccccc2)CCC1=O 231157274 AIAZZXROARFTME-LBPRGKRZSA-N 217.312 2.882 0 50 BFAA COC(=O)c1ccc2cc(C)ccc2c1O 238407553 JIANYUAJQVQFJP-UHFFFAOYSA-N 216.236 2.640 0 50 BFAA C[C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[C@H]2C=C[C@H]1C2 244149480 UUBCBMUPTSMOGL-IKOXMDCHSA-N 233.355 2.894 0 50 BFAA C[C@H]1CCC[C@@H](C(=O)N2C[C@H]3CC[C@H]2C3)C1 246846495 KDUUFGPDRQLGHN-RVMXOQNASA-N 221.344 2.824 0 50 BFAA C=CC(=O)N1CCC[C@H]1c1ccc(C)cc1 1336676273 LVAIPHODPSMXPX-ZDUSSCGKSA-N 215.296 2.845 0 50 BFAA O=C(O)CC[C@@]1(c2ccccc2)CCCCC1=O 1632473 ZDCBPGXPFYLDBZ-OAHLLOKOSA-N 246.306 2.932 0 50 BFAA Cc1c(F)cccc1I 2512363 MSPXWJMFEVAKHQ-UHFFFAOYSA-N 236.027 2.739 0 50 BFAA in-vitro Fc1cccc(Nc2nnc(S)s2)c1 4205865 YDRHTJMIYMLUAB-UHFFFAOYSA-N 227.289 2.710 0 50 BFAA in-vitro NCCc1csc(-c2ccccc2Cl)n1 11956027 IZKSIKDBLFJATG-UHFFFAOYSA-N 238.743 2.965 0 50 BFAA in-vitro C[C@H]1CN(CC2CC2)Cc2ccccc2O1 12281281 ZMQVHKVCFAOIFA-NSHDSACASA-N 217.312 2.680 0 50 BFAA CCCCN(C)[C@@H]1CCC(=O)N(CCC)CC1 14991118 AJWMZGSSAMNRTC-CYBMUJFWSA-N 240.391 2.509 0 50 BFAA Nc1nccc(-c2ccc3ccccc3c2)n1 20153828 RZDBPKYQNYGDPH-UHFFFAOYSA-N 221.263 2.879 0 50 BFAA Nc1c(C(=O)c2ccncc2)oc2ccccc12 34458012 RQHPIGKVUAOAMT-UHFFFAOYSA-N 238.246 2.641 0 50 BFAA CCC[C@H](C)C(=O)Nc1cnc2n1CCCC2 67774936 SDWGBWCWIPMRIM-JTQLQIEISA-N 235.331 2.594 0 50 BFAA CC(C)CCN1CCSCC1(C)C 170607304 VAKFJDBYAVIEDT-UHFFFAOYSA-N 201.379 2.860 0 50 BFAA CC[C@@H](N)c1cc(O)cc(C(F)(F)F)c1 238276273 AUOCTCBFOZBHRT-SECBINFHSA-N 219.206 2.821 0 50 BFAA Cc1cc(NC(=O)[C@H]2CC2(C)C)cc2n[nH]cc12 347547872 UPNJIARSKYTXGF-LLVKDONJSA-N 243.310 2.856 0 50 BFAA COc1ccc(CN[C@@]23CCC[C@@H]2C3)cc1F 657552043 QKKDAVICKDRDHC-BXUZGUMPSA-N 235.302 2.867 0 50 BFAA CC1=NO[C@H](CNCc2c(C)cccc2C)C1 877871138 LAJHPSFSYNSHKL-ZDUSSCGKSA-N 232.327 2.558 0 50 BFAA CCN(Cc1cnc(C)cn1)Cc1ccc(C)o1 1506416696 KOYBQHFGUFIQQP-UHFFFAOYSA-N 245.326 2.709 0 50 BFAA CCOC(=O)c1[nH]c(C)c(C(=O)C(C)C)c1C 51503 GZDDIMUUXLJHOS-UHFFFAOYSA-N 237.299 2.647 0 50 BFAA CCOC(=O)Cc1nc2cc(Cl)ccc2o1 470733 LIDLQLJDBGDIFT-UHFFFAOYSA-N 239.658 2.587 0 50 BFAA CN(C)CCSc1nc2ccccc2s1 985328 KMWKXYYYWRNCEV-UHFFFAOYSA-N 238.381 2.950 0 50 BFAA CS(=O)(=O)N(c1ccccc1)c1ccccc1 1705832 RMNOKXFIWFIIJU-UHFFFAOYSA-N 247.319 2.784 0 50 BFAA O=C(Nc1ccc(F)cc1F)C1CCC1 3287003 PXUOPEATGYWTIK-UHFFFAOYSA-N 211.211 2.703 0 50 BFAA c1cc2n(c1)CCN[C@H]2C1CCCCC1 3684152 OJNJQVHVKXXQRD-ZDUSSCGKSA-N 204.317 2.713 0 50 BFAA CCCC[C@H](CC(=O)O)NC(=O)OC(C)(C)C 4299153 KVAFMJHZXSBEFB-SECBINFHSA-N 245.319 2.545 0 50 BFAA COc1cccc(OCCN2CCC[C@@H](C)C2)c1 4905479 MAZMLQUUTDCCJQ-CYBMUJFWSA-N 249.354 2.806 0 50 BFAA C[C@H]1CCCN(c2cc(N)c(N)cc2Cl)C1 16606312 JYLFDWIRLWPHAD-QMMMGPOBSA-N 239.750 2.741 0 50 BFAA CCCNC(=O)[C@@H](C)Oc1ccccc1CC 19933277 BLKBXHRCTGDNBR-LLVKDONJSA-N 235.327 2.543 0 50 BFAA CN1CCC(NCCC2=CCCCC2)CC1 20093615 AHEHTHILPVVQRW-UHFFFAOYSA-N 222.376 2.561 0 50 BFAA O=C(O)c1cnc2ccc(F)cc2c1Cl 33569985 NEMDTRIVHUEXJW-UHFFFAOYSA-N 225.606 2.726 0 50 BFAA in-vitro CCOC(=O)C(=O)c1ccc(SCC)cc1 43209613 HTHJFEBXJXKUHL-UHFFFAOYSA-N 238.308 2.544 0 50 BFAA CC(=O)c1ccc(C)cc1Br 49815272 WQUTYGRAHPHFBE-UHFFFAOYSA-N 213.074 2.960 0 50 BFAA in-vitro CC[C@@H](CO)N(CC=C(C)C)Cc1ccccn1 55327192 UOUGKDRUQMHCGT-HNNXBMFYSA-N 248.370 2.621 0 50 BFAA CC(C)Cc1n[nH]c(-c2cc(C(C)C)on2)n1 65505270 IOVVEKCDUPRYJN-UHFFFAOYSA-N 234.303 2.782 0 50 BFAA COc1ccc2c(c1)CC[C@]1(C)C2=CC[C@H]1O 71774148 CVDBQWXONDFFGQ-HUUCEWRRSA-N 230.307 2.796 0 50 BFAA Cc1ccc(C)c(-c2nccn2[C@@H]2CCNC2)c1 72473395 NXOOGINMLAAUSW-CYBMUJFWSA-N 241.338 2.701 0 50 BFAA COC(=O)c1ccc(N)c(Nc2ccccc2)c1 95217854 VEJJHWGOUQIAEN-UHFFFAOYSA-N 242.278 2.799 0 50 BFAA CCCc1nnc(N(C)Cc2ccc(F)cc2)o1 95361641 DXXDZCKVHDYXDB-UHFFFAOYSA-N 249.289 2.798 0 50 BFAA O=c1ccn(-c2ccncc2Cl)cc1Cl 97756664 KXSNQLWTBMVSNM-UHFFFAOYSA-N 241.077 2.539 0 50 BFAA Cc1nccc(N[C@H](C)c2ncc(C)s2)n1 125194920 KYWSRQMXHPKQIX-MRVPVSSYSA-N 234.328 2.723 0 50 BFAA O=C(C1[C@@H]2CCCC[C@@H]12)N1CCCC2(CC2)C1 184126075 RROAOPCHTRWRPV-VXGBXAGGSA-N 233.355 2.825 0 50 BFAA C[C@@H]1CCC[C@H](C(=O)N2C[C@H]3CC[C@H]2C3)C1 246846513 KDUUFGPDRQLGHN-VOAKCMCISA-N 221.344 2.824 0 50 BFAA NC[C@@]12[C@H]3c4ccccc4[C@@H]1[C@@H]2c1ccccc13 247639571 GHMHZXBXYOZQNA-WNKDZCFJSA-N 233.314 2.972 0 50 BFAA CCc1cccc(CN2CCC(C(=O)O)CC2)c1 576345882 SUZJJQKXORBPLG-UHFFFAOYSA-N 247.338 2.546 0 50 BFAA CN(CC1(C)COC1)c1ccnc2ccccc12 624528295 NDURSVLOOIBHLB-UHFFFAOYSA-N 242.322 2.708 0 50 BFAA Cc1ncc(Br)c2cccnc12 725343330 GTCFMEWJJCELPN-UHFFFAOYSA-N 223.073 2.701 0 50 BFAA CCn1cc(N[C@H]2CCOC3(CCCC3)C2)cn1 872057903 KEBPGRGCZOYPNU-LBPRGKRZSA-N 249.358 2.807 0 50 BFAA Cc1ccc(F)c(C(=O)O)c1C(F)(F)F 1857777663 BORAZBXQESXHOZ-UHFFFAOYSA-N 222.137 2.851 0 50 BFAA NCc1ccc(C(F)(F)C(F)(F)F)s1 1857781031 FSEANZSPVDIJMG-UHFFFAOYSA-N 231.189 2.861 0 50 BFAA C[C@@H]1C[C@H](OC(=O)c2ccccc2)CC(C)(C)N1 1410 ZYHGIAPHLSTGMX-YPMHNXCESA-N 247.338 2.763 0 50 BFAA biogenic,in-vitro O=C1CN(Cc2ccccc2)c2ccccc2N1 226275 BSCQZYGHGGBKLI-UHFFFAOYSA-N 238.290 2.645 0 50 BFAA in-vitro C[C@@H](NC(=O)c1cccs1)C(C)(C)C 1055229 SBSVVFJNWGTYIP-MRVPVSSYSA-N 211.330 2.913 0 50 BFAA CCOCC(=O)Nc1ccccc1C(F)(F)F 2842943 NOZHVHFFTPUHAX-UHFFFAOYSA-N 247.216 2.680 0 50 BFAA Cc1ccc([C@H]2NCC[C@@H]2C(=O)OC(C)C)cc1 4237881 IMFBWCNIUNNYIF-UONOGXRCSA-N 247.338 2.597 0 50 BFAA in-vitro Cc1ccc(CN2CCCC[C@@H]2CO)c(C)c1 4948859 LPDHXJLJZRIPCY-OAHLLOKOSA-N 233.355 2.650 0 50 BFAA Clc1ccccc1OCCN1CCCC1 5731325 VMYUUTWORMMWGP-UHFFFAOYSA-N 225.719 2.815 0 50 BFAA Cc1ccc(NC(=O)[C@H]2CC23CCCC3)cn1 19792883 IQFHQPQEDKPAHX-GFCCVEGCSA-N 230.311 2.909 0 50 BFAA Clc1nc(Cl)c2ccsc2n1 21298412 HRXNGIQKOWQHCX-UHFFFAOYSA-N 205.069 2.998 0 50 BFAA in-vitro CCC(=O)Nc1ccc(-c2ccncc2)c(C)n1 32598329 XSMAQRMNDIVKQT-UHFFFAOYSA-N 241.294 2.801 0 50 BFAA CC(C)[C@@H](C(=O)N(C)C)c1ccccc1 71774236 BDYVUSBLLCWPKJ-GFCCVEGCSA-N 205.301 2.514 0 50 BFAA CCOC(=O)c1nc(Cl)c2sccc2n1 72187488 YBFVHUWXKQPWSX-UHFFFAOYSA-N 242.687 2.521 0 50 BFAA in-vitro O=NN1C[C@@]23C=CCC[C@]2(CCCC3)C1 100971857 ZXBDLRFZRVQEPX-RYUDHWBXSA-N 206.289 2.880 0 50 BFAA Nc1c(F)c(F)c(Cl)c(F)c1Cl 136949023 RFZPSSJMHGBDRX-UHFFFAOYSA-N 215.989 2.993 0 50 BFAA CCN(CC(F)F)C(=O)Nc1nc(C)cs1 182747736 CADGSJYZDGDKPF-UHFFFAOYSA-N 249.286 2.570 0 50 BFAA CNc1cc(Br)cc(F)c1F 230540728 VGEJGVZJYBNWMM-UHFFFAOYSA-N 222.032 2.769 0 50 BFAA Cc1nc2ccccc2nc1CSC[C@@H](C)O 298323740 RNZCVQLVWHXKNJ-SECBINFHSA-N 248.351 2.552 0 50 BFAA CN(c1ncnc2[nH]ccc12)C1CC(C)(C)C1 413437222 JVSMJVKQBZHDES-UHFFFAOYSA-N 230.315 2.583 0 50 BFAA C[C@H]1C[C@@H](C)N[C@@H](C2CCCCC2)[C@@H]1CN 757216135 XYBJZRPJUJXPHN-UNJBNNCHSA-N 224.392 2.528 0 50 BFAA C=CC(=O)N1CCC[C@H](Cc2ccccc2)C1 820436530 BFDAMDWWMOOMHC-CQSZACIVSA-N 229.323 2.654 0 50 BFAA CCc1nn(C)cc1-c1ccc(OC)c(F)c1 1506395959 KMJTXFGSDZVNFI-UHFFFAOYSA-N 234.274 2.797 0 50 BFAA Cc1ccc(-c2nc(C(=O)O)cs2)cc1 168281 MTVWIZYQYPRZGZ-UHFFFAOYSA-N 219.265 2.817 0 50 BFAA in-vitro C[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1CC1 281184 XAGAWVUMMWZXRR-SNVBAGLBSA-N 242.322 2.625 0 50 BFAA biogenic CN(CCc1ccccn1)C1CCCCC1 316623 UHEPJSZLCSGJHU-UHFFFAOYSA-N 218.344 2.889 0 50 BFAA OC[C@@H](F)Sc1nc2ccccc2s1 1383755 MWRUARLTYWJLAR-QMMMGPOBSA-N 229.301 2.676 0 50 BFAA CCCCOc1ccc(NC(C)=O)cc1 1787818 JYMFGHFNWSMPBP-UHFFFAOYSA-N 207.273 2.824 0 50 BFAA CCOC(=O)/C=C/c1ccc(Cl)cc1 2507462 MHZFMMSRIDAQIB-VMPITWQZSA-N 210.660 2.916 0 50 BFAA c1ccc(NCn2nnc3ccccc32)cc1 3877930 XEZLZOGOVRJQMO-UHFFFAOYSA-N 224.267 2.501 0 50 BFAA in-vitro CC(C)C(=O)NCc1ccc(C(F)(F)F)cc1 5497334 PZGUVWCSOIMHSW-UHFFFAOYSA-N 245.244 2.978 0 50 BFAA CC(=O)N1CCC[C@@H](Nc2ccc(C)c(C)c2)C1 12448036 VDHPZNOLJJSDHB-OAHLLOKOSA-N 246.354 2.726 0 50 BFAA CC(C)(C)CC(=O)Nc1cccc(C(=O)O)c1 12956796 FLPJVCYHCRNXQX-UHFFFAOYSA-N 235.283 2.760 0 50 BFAA CCCNc1cc(Cl)nc(SC)n1 15021631 HAKZYDKVDFZKHU-UHFFFAOYSA-N 217.725 2.674 0 50 BFAA in-vitro Nc1c(Cl)cc(Br)nc1Cl 21981794 MNMVXSHYBWKOIG-UHFFFAOYSA-N 241.903 2.733 0 50 BFAA CC(C)Oc1cc(C(=O)O)ccc1Cl 65337042 GMJBZYRPLXSIGN-UHFFFAOYSA-N 214.648 2.825 0 50 BFAA in-vitro O=C(O)c1ccc2c(Cl)cccc2n1 98178514 MQPSPUQAPOBPSB-UHFFFAOYSA-N 207.616 2.586 0 50 BFAA CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@H]2C(=O)C(F)(F)F 100649230 ISLOIHOAZDSEAJ-BUYFANAVSA-N 248.244 2.759 0 50 BFAA Nc1ccc(CN2CCCC2)c(C(F)(F)F)c1 114062397 OHRHNFGIBHEBOY-UHFFFAOYSA-N 244.260 2.883 0 50 BFAA Oc1ccc(-c2cc[nH]n2)cc1Br 238729863 GIDHDEUPBDWOJN-UHFFFAOYSA-N 239.072 2.545 0 50 BFAA COc1cc(F)ccc1-c1nc(C(C)(C)C)n[nH]1 426548629 WKEYRIVQDPTBMO-UHFFFAOYSA-N 249.289 2.917 0 50 BFAA Cc1cc(-c2ccc(CSCCO)cc2)n[nH]1 534649803 NSHUNVMGIUUORX-UHFFFAOYSA-N 248.351 2.611 0 50 BFAA CC[C@]1(C(=O)OC)O[C@]1(C)C1CCCCC1 669382216 BSXVWPOBRGBAOH-CHWSQXEVSA-N 226.316 2.677 0 50 BFAA CC[C@H](C)NCc1c(C(=O)O)[nH]c2ccccc12 1776003312 INKGOMGLRLMGLM-VIFPVBQESA-N 246.310 2.754 0 50 BFAA CNC(=O)Nc1cc(Cl)ccc1Cl 396519 TXDPKYYUDFWYIN-UHFFFAOYSA-N 219.071 2.745 0 50 BFAA O=S(=O)(c1ccccc1)C1CCCCC1 399783 GCNSHAQTYKVLHX-UHFFFAOYSA-N 224.325 2.793 0 50 BFAA in-vitro CCCCNCCOc1ccccc1OCC 2930806 CJXDKKQXVNPAGD-UHFFFAOYSA-N 237.343 2.854 0 50 BFAA Cc1cc2nc(CCCC(=O)O)[nH]c2cc1C 4384282 MKSRFBCELBGRLS-UHFFFAOYSA-N 232.283 2.587 0 50 BFAA Clc1ncnc2c1[nH]c1ccccc12 6536280 RDAAOOPSZHGKFQ-UHFFFAOYSA-N 203.632 2.765 0 50 BFAA in-vitro Cc1ccc(O[C@@H](C)C(=O)NC2CCCC2)cc1 6845624 RDNFVJADODBUEV-LBPRGKRZSA-N 247.338 2.821 0 50 BFAA Cc1ccc(C(=O)NCCc2ccc(F)cc2)o1 9457451 SULYDIQXKZVZRA-UHFFFAOYSA-N 247.269 2.700 0 50 BFAA CC(C)Oc1cccc(Br)n1 16677920 RBQOILDHZGNUQT-UHFFFAOYSA-N 216.078 2.631 0 50 BFAA in-vitro CCc1nnc(NC(=O)Nc2ccccc2)s1 18038099 NTLONFCJXBEVPY-UHFFFAOYSA-N 248.311 2.745 0 50 BFAA CCOC(=O)c1ncoc1CC1CCCC1 43304325 KPZJIJXNGXHTPL-UHFFFAOYSA-N 223.272 2.584 0 50 BFAA Nc1cccc2ncc(Br)cc12 95616301 SVPUHAUIBLBKOQ-UHFFFAOYSA-N 223.073 2.580 0 50 BFAA in-vitro Fc1ccc(OCCC(F)(F)F)nc1 169725459 KQGVVQYRUIRFDQ-UHFFFAOYSA-N 209.142 2.552 0 50 BFAA C[C@@H]1C[C@@H]2CCCC[C@H]2N1CCCCCO 239667228 BPPIIGKSPBJQIU-HZSPNIEDSA-N 225.376 2.802 0 50 BFAA COCCCCN(C#N)c1ccc(F)cc1 252501516 UGXKTEYZIFTVMM-UHFFFAOYSA-N 222.263 2.540 0 50 BFAA CC[C@H]1CCN(C2CSCCSC2)C1 584898722 JSJJYSBFRYQNTL-JTQLQIEISA-N 231.430 2.567 0 50 BFAA O=C(O)c1cc(Cl)cc2ccncc12 675051361 QYZHSQILMLLFGB-UHFFFAOYSA-N 207.616 2.586 0 50 BFAA CC[C@@H](COC)n1cc(-c2ccc(C)cc2)nn1 2325772766 CBGYEIZEFGVJRL-ZDUSSCGKSA-N 245.326 2.851 0 50 BFAA O=C(CC1CCCCC1)NCc1ccccn1 316730 ZOHWNPOCXZIWMI-UHFFFAOYSA-N 232.327 2.668 0 50 BFAA Cc1ccc2c(c1)NC(=O)[C@@]2(Cl)C(F)(F)F 4615867 OGVXHZOIJMMJRD-SECBINFHSA-N 249.619 2.944 0 50 BFAA Cc1cc(C)cc(OCCCn2ccnc2)c1 5285854 WXRZRIJFWCONEW-UHFFFAOYSA-N 230.311 2.969 0 50 BFAA CCC[C@H](C)NC(=O)Cc1cccs1 5591508 ZXPQCEHCWKUNSL-VIFPVBQESA-N 211.330 2.595 0 50 BFAA Cc1nnc(NCc2c(F)cccc2Cl)[nH]1 15356881 HPDKIOIHDIMUJB-UHFFFAOYSA-N 240.669 2.518 0 50 BFAA CCOc1ccccc1C1CCNCC1 19835073 AKFKGPKEVRALPL-UHFFFAOYSA-N 205.301 2.552 0 50 BFAA COc1ccc(-c2cccc(C=O)n2)cc1 20443254 JLUDQJVIZSPJFQ-UHFFFAOYSA-N 213.236 2.570 0 50 BFAA Nc1c(C2CCC(O)CC2)ccc2ncccc12 95494823 OSDGTLMOCOWCOH-UHFFFAOYSA-N 242.322 2.836 0 50 BFAA in-vitro Cc1cc(C(=O)NC(C)(C)C)cc(Cl)n1 125478973 DVWMGIBOWRQZON-UHFFFAOYSA-N 226.707 2.572 0 50 BFAA CC[C@@H](C)NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 225229364 JZPGDRPIZJGHAT-RHYQMDGZSA-N 209.333 2.727 0 50 BFAA Oc1c(Cl)cccc1OC(F)(F)F 238720311 CQJQVSGHNPDZRQ-UHFFFAOYSA-N 212.554 2.944 0 50 BFAA CC(=O)OSC(C)(C)[C@@H]1CC[C@H](C)CC1=O 238791370 HGSQLXVPGSWSBL-WCBMZHEXSA-N 244.356 2.982 0 50 BFAA O=C(O)[C@@]12CCCC[C@@H]1CC(F)(F)C2 257820437 DDOHHAIDKXLPNH-VXNVDRBHSA-N 204.216 2.677 0 50 BFAA NC1(c2ccc(Br)cc2)CC(F)C1 258203625 ISFYSDCWDWCDSU-UHFFFAOYSA-N 244.107 2.735 0 50 BFAA CCc1c(-c2cc(OC)ccc2OC)cnn1C 952978767 ZQIPPMIAKWBYJF-UHFFFAOYSA-N 246.310 2.667 0 50 BFAA Fc1cccc2ncc(-c3ncccn3)cc12 1857719444 LFPBAUARCGFRBY-UHFFFAOYSA-N 225.226 2.831 0 50 BFAA CNC(=O)NC(=O)Nc1cc(C(C)C)ccc1C 401771 WOOAKQRRDVKRFM-UHFFFAOYSA-N 249.314 2.579 0 50 BFAA Cc1ccccc1C(=O)Oc1cccccc1=O 441216 DJHSZTLZURRXGS-UHFFFAOYSA-N 240.258 2.574 0 50 BFAA O=C(O)Cn1c2c(c3ccccc31)CCCC2 808661 NDLUYNBMLNNIRV-UHFFFAOYSA-N 229.279 2.605 0 50 BFAA CCOC(=O)CCCC(=O)c1cccc(C)c1 2378878 GKDGDPURKWHIRL-UHFFFAOYSA-N 234.295 2.911 0 50 BFAA CCc1ccc(C[C@H]2CCCNC2)cc1 2555469 YAEHFYBHWGPWTH-CQSZACIVSA-N 203.329 2.791 0 50 BFAA in-vitro COc1ccc(-n2nc(C(C)(C)C)cc2N)cc1 2576790 BUNGLKKPGWGZDC-UHFFFAOYSA-N 245.326 2.761 0 50 BFAA Cc1[nH]ncc1-c1nc(C2CCCCC2)n[nH]1 80041977 MVSAIELRNMAKEB-UHFFFAOYSA-N 231.303 2.551 0 50 BFAA Cc1nnc(-c2ccccc2-c2cncnc2)o1 96151041 BBCARKVVDCMNBC-UHFFFAOYSA-N 238.250 2.502 0 50 BFAA COc1ccc(-c2ccn(C(C)C)n2)cn1 114116371 CDTHWQBHUMVEAO-UHFFFAOYSA-N 217.272 2.535 0 50 BFAA CC(C)(C)OCCOCCC(=O)OC(C)(C)C 160994575 JRSVIJLNFRRZLA-UHFFFAOYSA-N 246.347 2.550 0 50 BFAA c1cc(CN2CCC[C@@H](CN3CCCC3)C2)co1 216433691 OSLPSHHGQAGTSN-AWEZNQCLSA-N 248.370 2.587 0 50 BFAA CCCOc1cc(O)cc(Cl)c1OC 261494358 VRDHKJRPZYGQNU-UHFFFAOYSA-N 216.664 2.843 0 50 BFAA C=CC(=O)Nc1cccc2c1OC(C)(C)C2 863971094 FAULAUYSBSSZQM-UHFFFAOYSA-N 217.268 2.525 0 50 BFAA CCC(CC)NC(=O)Cc1ccc(F)cc1 303422 CLNPWQCCQGZBIL-UHFFFAOYSA-N 223.291 2.673 0 50 BFAA Cc1cc(C(=O)N[C@H](C)c2ccncc2)cs1 1052288 AEQQUNVDOPJXJY-SNVBAGLBSA-N 246.335 2.943 0 50 BFAA Cc1occc(=O)c1OCc1ccccc1 1405191 LQDVCPYRCOKNMV-UHFFFAOYSA-N 216.236 2.527 0 50 BFAA biogenic Cc1ccc([C@H](C)NC(=O)[C@H]2C[C@@H]2C)cc1 4651197 MNFOEAXSHGSEIY-GVXVVHGQSA-N 217.312 2.828 0 50 BFAA CC[C@@H](C)NC(=O)COc1ccccc1Cl 5718997 VGDNQSHCVNJTPW-SECBINFHSA-N 241.718 2.634 0 50 BFAA COc1ccccc1CN[C@@H]1CC[C@H](C)C1 16662686 RYXPHCWWIJHIGE-WCQYABFASA-N 219.328 2.973 0 50 BFAA CCC(=O)NCCSCc1ccc(C)cc1 58316310 OZGJSQHAUKZZDH-UHFFFAOYSA-N 237.368 2.754 0 50 BFAA Fc1ccc(-c2nc(Br)no2)cc1 158576176 MNKYGYDAUDDWKF-UHFFFAOYSA-N 243.035 2.638 0 50 BFAA C[C@H](CNC1(CO)CC1)c1cccc(Cl)c1 195573428 RSXFCSKWKXDWRM-SNVBAGLBSA-N 239.746 2.558 0 50 BFAA CCCCCCN(C)[C@@H](C)Cc1cnccn1 216360890 JLRKWNGNHMVZSM-ZDUSSCGKSA-N 235.375 2.920 0 50 BFAA CCS[C@H]1CCC[C@H]1NCCCF 233842404 KKOOORAGCNQZIA-ZJUUUORDSA-N 205.342 2.610 0 50 BFAA Cc1ccc(-c2nnc3n2CCCC3)s1 258130973 GZCUHJJAFXWQHS-UHFFFAOYSA-N 219.313 2.651 0 50 BFAA CCCn1nccc1-c1ccc2c(n1)CCC2 426431913 NBKSXIOABCZBSU-UHFFFAOYSA-N 227.311 2.844 0 50 BFAA Cc1cnc(CN(C)[C@H]2CCC(C)(C)C2)[nH]1 628256184 MMRXAFVUGBFTKA-NSHDSACASA-N 221.348 2.729 0 50 BFAA Fc1cccc(Br)c1-c1cc[nH]n1 725272391 CRQYHJBASMAIIO-UHFFFAOYSA-N 241.063 2.978 0 50 BFAA C=CC(=O)N(C)Cc1cc2ccccc2o1 791378643 MUSGBLIMKGJDLC-UHFFFAOYSA-N 215.252 2.577 0 50 BFAA CC[C@H](CO)N(CC=C(C)C)Cc1cccnc1 952990251 UHVREOPSHYIRFT-OAHLLOKOSA-N 248.370 2.621 0 50 BFAA O=C(Nc1ccnnc1)c1cccc(C2CC2)c1 1129711029 IOOUPZLWVNGBIL-UHFFFAOYSA-N 239.278 2.606 0 50 BFAA O=C(O)c1ccccc1-c1nccn1C1CC1 1875246015 XIUHBDNVNHMXNG-UHFFFAOYSA-N 228.251 2.583 0 50 BFAA O=C(CC1CCCCC1)Nc1ccncc1 317524 IZGQDFKSRCNXRD-UHFFFAOYSA-N 218.300 2.991 0 50 BFAA CCN(CC)C(=O)Nc1cc(C)ccc1OC 396387 HGRJUJGFIJUBPE-UHFFFAOYSA-N 236.315 2.877 0 50 BFAA CCOC(=O)c1cc(OCC)ccc1OCC 2581134 VTTHMKXCMAWQTF-UHFFFAOYSA-N 238.283 2.661 0 50 BFAA Brc1cncc([C@@H]2CCCCN2)c1 2582644 DDOMWRSTHXDLLF-JTQLQIEISA-N 241.132 2.659 0 50 BFAA O=C(O)Cc1ccccc1COc1ccccc1 4240750 FDOAKSDBUPAQTO-UHFFFAOYSA-N 242.274 2.893 0 50 BFAA Clc1ccccc1-c1nn2cnnc2s1 4487447 JBSXKIFTIBETPG-UHFFFAOYSA-N 236.687 2.506 0 50 BFAA O=C(O)c1ccc2c3c([nH]c2c1)CCCC3 5001293 PCWDMUSCUJPFII-UHFFFAOYSA-N 215.252 2.745 0 50 BFAA in-vitro O=C(c1cc(Cl)cc(Cl)c1)n1ccnc1 5062136 BXWHIDQSOAULGP-UHFFFAOYSA-N 241.077 2.878 0 50 BFAA CNc1nc(C)c(-c2ccccn2)s1 6677854 JQESALWIRSTYGK-UHFFFAOYSA-N 205.286 2.555 0 50 BFAA Fc1ccc(-c2cccc3c2CCNC3)nc1 72171477 KIBJHLBSMNPVQU-UHFFFAOYSA-N 228.270 2.533 0 50 BFAA COc1cc(-c2c[nH]c3ncccc23)ccc1N 142939536 XHQBRKUVJMWNDJ-UHFFFAOYSA-N 239.278 2.821 0 50 BFAA CCOC(=O)OC(C(F)(F)F)C(F)(F)F 147164724 ZBHVIDDPAXNYNX-UHFFFAOYSA-N 240.099 2.653 0 50 BFAA O[C@@H](c1ccccc1)c1nccn1CC1CCC1 154869632 JMBARQBTTHCMKN-AWEZNQCLSA-N 242.322 2.765 0 50 BFAA Cc1cccc(C2=N[C@H](c3ccccc3)CO2)n1 212646450 ZBYAUOZWGYIGNW-AWEZNQCLSA-N 238.290 2.908 0 50 BFAA C[C@H]1CCC[C@@H](C)[C@@H]1N[C@H]1C[C@H]2CC[C@H]1O2 246061472 RFTBWBCXCORDQW-WZBKEBKWSA-N 223.360 2.721 0 50 BFAA C[C@@H]1C[C@@H](NCCCNc2ccccc2)[C@@H](C)O1 294696916 GKJWMUKUZBTDBQ-UMVBOHGHSA-N 248.370 2.644 0 50 BFAA O[C@@H]1CCC[C@@H]1CN[C@@H]1CCc2ccc(F)cc21 305169082 TYIDDNBNQPAVDN-KCPJHIHWSA-N 249.329 2.564 0 50 BFAA CC(C)[C@@H](C(=O)Nc1ccccn1)n1cccc1 575444460 CRVPMCSEHPWZSC-ZDUSSCGKSA-N 243.310 2.719 0 50 BFAA COC(=O)c1ccc(-c2ccc(C)nc2)s1 725261232 XXHJMUWNYYCPMN-UHFFFAOYSA-N 233.292 2.905 0 50 BFAA Cc1nn(CCN[C@@H](C)C2(C)CC2)c(C)c1C 825290558 UBVQDIVCBLPWFY-ZDUSSCGKSA-N 235.375 2.587 0 50 BFAA COc1nccc(-c2cn(C)nc2C(C)C)c1F 1616034641 KTGSKYYBVPJTCI-UHFFFAOYSA-N 249.289 2.753 0 50 BFAA CCCc1cnc(C)nc1N1C[C@@H]2C[C@@]2(C)C1 1772807558 PAVDFFXXQQKFLK-JSGCOSHPSA-N 231.343 2.584 0 50 BFAA CC(C)c1ccc2occ(C=O)c(=O)c2c1 57745 FRRYMYQANNFABF-UHFFFAOYSA-N 216.236 2.729 0 50 BFAA biogenic,in-vitro Cc1cccc(OCC(=O)NC(C)(C)C)c1C 122158 WYHPGFWWJDVXKQ-UHFFFAOYSA-N 235.327 2.597 0 50 BFAA CC(C)(O)C(C)(C)[C@H](O)c1ccccc1 199328 KZSPLEBVHZHOGH-LLVKDONJSA-N 208.301 2.517 0 50 BFAA c1cncc(CN2CCc3ccccc3C2)c1 237023 AKIDQMAMWHXXAB-UHFFFAOYSA-N 224.307 2.640 0 50 BFAA Oc1ccc(Oc2ccc(O)cc2)cc1 394643 NZGQHKSLKRFZFL-UHFFFAOYSA-N 202.209 2.890 0 50 BFAA in-vitro Cc1ccc(NC(=O)Nc2ncccn2)cc1C 401907 VHJYRERISYJXMP-UHFFFAOYSA-N 242.282 2.737 0 50 BFAA OCc1cccc(C(F)(F)F)c1Cl 2382218 MQUXXVLMXCHGDZ-UHFFFAOYSA-N 210.582 2.851 0 50 BFAA in-vitro CCOc1ccc(C[C@H]2CCCNC2)cc1 2555463 RSACBNWSKVWJRW-CYBMUJFWSA-N 219.328 2.627 0 50 BFAA in-vitro CCC(C)(C)c1ccc(OCCNC)cc1 2845381 XXRMTULTLOYVRD-UHFFFAOYSA-N 221.344 2.972 0 50 BFAA CCCN1CCC(N2CCCCCC2)CC1 3683628 BHGTYYUJPRPDNW-UHFFFAOYSA-N 224.392 2.737 0 50 BFAA Cc1sc(-c2ccc(F)cc2)nc1C(=O)O 11766563 ZHMMVOXQDJPCRD-UHFFFAOYSA-N 237.255 2.956 0 50 BFAA C[C@H](O)c1ccc(F)c(Br)c1 12506517 TWIOVUXOLMANJU-YFKPBYRVSA-N 219.053 2.642 0 50 BFAA in-vitro Cc1ccsc1CNC[C@@H](O)c1ccccc1 19871964 UXVRFEANCJLERB-CYBMUJFWSA-N 247.363 2.880 0 50 BFAA CC(=O)Nc1ccc2c(C)cc(Cl)nc2n1 35653758 HEWSVFVOJBURFZ-UHFFFAOYSA-N 235.674 2.550 0 50 BFAA Cc1nc(C(=O)O)c(-c2ccc(F)cc2)s1 41278107 XYIAPLYZWWLUBC-UHFFFAOYSA-N 237.255 2.956 0 50 BFAA Cn1cc(CN2CCCCc3ccccc32)cn1 178720167 QFXAOWWPVKMSLP-UHFFFAOYSA-N 241.338 2.763 0 50 BFAA CC[C@H](Cc1ccc(C)cc1)N(C)CCC(=O)O 212294659 VCYDMBGTTJDGSG-CQSZACIVSA-N 249.354 2.723 0 50 BFAA CCO[C@@H]1CCCN([C@@H]2C=CCCC2)C1 229733796 UPJYFXCFJJMFNO-CHWSQXEVSA-N 209.333 2.596 0 50 BFAA CCCOc1c(Cl)cc(O)cc1OC 261494074 PFWCRPKVMGPOCO-UHFFFAOYSA-N 216.664 2.843 0 50 BFAA C=CC(=O)N1CCCn2c(cc3ccccc32)C1 408525869 AXMPIDKRDNVZGN-UHFFFAOYSA-N 240.306 2.560 0 50 BFAA CC1(C)CCC(=O)C[C@H]1N1CCCCC1 725361759 PJXAZFHNQBFFDS-GFCCVEGCSA-N 209.333 2.620 0 50 BFAA O=C(O)[C@H]1C[C@@H]2C[C@H](C1)CC(F)(F)C2 1857783397 LOBLMTDLXVJGHM-RNLVFQAGSA-N 204.216 2.533 0 50 BFAA O=C(Nc1ccccc1)c1ccc(O)cc1 151721 RMHMYTLAUXIOPR-UHFFFAOYSA-N 213.236 2.645 0 50 BFAA in-vitro CCOC(=O)[C@H]1Cc2c(ccc3ccccc23)O1 168046 CBMTXLJYTRWJSM-CQSZACIVSA-N 242.274 2.706 0 50 BFAA in-vitro Cc1cccc(C(=O)Nc2ccc(F)cc2)n1 298527 WQIJASDCQSSSLB-UHFFFAOYSA-N 230.242 2.781 0 50 BFAA COc1cc(-c2ccc(N)cc2OC)ccc1N 299396 PLFGCBZJCDMIGZ-UHFFFAOYSA-N 244.294 2.535 0 50 BFAA O=C1O[C@H](C(=O)c2ccccc2)c2ccccc21 397124 VFYWJHQGTBBWGY-AWEZNQCLSA-N 238.242 2.781 0 50 BFAA O=C(Cc1ccccc1Cl)NCc1ccco1 1053902 WIGGVOZKSIYYFD-UHFFFAOYSA-N 249.697 2.792 0 50 BFAA Cc1ccc(N)cc1NC(=O)OC(C)(C)C 2599344 DLOHVUPBQBCZGE-UHFFFAOYSA-N 222.288 2.924 0 50 BFAA in-vitro Cc1ccc(NC(=O)N[C@H](C)[C@H]2CCCO2)cc1 2772833 CKXXJTFRQDBQJU-DGCLKSJQSA-N 248.326 2.684 0 50 BFAA CC[C@H](C)NC(=O)c1ccccc1SC 2864423 BFJHOMADUJGBRP-VIFPVBQESA-N 223.341 2.937 0 50 BFAA O=C(Nc1nccs1)C1[C@@H]2CCCC[C@@H]12 3160543 BAWKEKVDOTXEOU-HTQZYQBOSA-N 222.313 2.518 0 50 BFAA O=C(Cc1c(Cl)cccc1Cl)NC1CC1 3565448 VGZFDEYFKGQENQ-UHFFFAOYSA-N 244.121 2.815 0 50 BFAA Oc1ccc(Br)cc1-c1cc[nH]n1 13121951 PNIKRSVKWZRJOK-UHFFFAOYSA-N 239.072 2.545 0 50 BFAA in-vitro CCCc1nc(-n2cccc2)sc1C(=O)O 21781592 GNZDWHQVBLNDQK-UHFFFAOYSA-N 236.296 2.585 0 50 BFAA in-vitro O=C(OCc1ccccc1)N1CC=CCC1 31829548 YWKYQRWNOXUYJK-UHFFFAOYSA-N 217.268 2.585 0 50 BFAA COC=C1CCN(Cc2ccccc2)CC1 34441017 YQZVOVYOPOXREH-UHFFFAOYSA-N 217.312 2.813 0 50 BFAA COC(=O)c1ccc2ncn(C(C)(C)C)c2c1 40456643 MMBVDJZSBYSXHM-UHFFFAOYSA-N 232.283 2.578 0 50 BFAA in-vitro FC(F)(F)c1csc(Br)n1 57519988 NZNVGMVYUYNBOM-UHFFFAOYSA-N 232.024 2.924 0 50 BFAA in-vitro CC(C)COC(=O)N[C@@H](C)Cc1ccccc1 71773239 OHLJVSASEFVWRC-LBPRGKRZSA-N 235.327 3.000 0 50 BFAA CCC(=O)c1cc(Cl)cc2c1OCC2 123100449 NFHFVEYXZQFLCJ-UHFFFAOYSA-N 210.660 2.868 0 50 BFAA c1nc(NCC2CCCC2)c2cc[nH]c2n1 140542106 XCPCWAYDOVFPCR-UHFFFAOYSA-N 216.288 2.560 0 50 BFAA CCC[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)O 251393270 UMRXNHLOLHXPOS-ZIAGYGMSSA-N 247.338 2.619 0 50 BFAA COc1ccc2c(c1)[C@@H]1C[C@]3(C(C)(C)O)[C@H]2[C@@H]13 257358540 VBECXUHMOPAFQE-JLNYLFASSA-N 230.307 2.667 0 50 BFAA COc1ccc(C(F)(F)F)c(F)c1O 261493703 HMLYTIRELRDCRR-UHFFFAOYSA-N 210.126 2.559 0 50 BFAA CC(C)c1nsc(N2C[C@H]3CC[C@H]2C3)n1 301541004 VIQFQYXIVFWUNS-IUCAKERBSA-N 223.345 2.650 0 50 BFAA CCn1cc(CN(C)CC2=CCCCC2)cn1 562533231 WBXSSUVMANLHCP-UHFFFAOYSA-N 233.359 2.835 0 50 BFAA CSC[C@H](C)C(=O)Nc1cc2cc[nH]c2cn1 585090757 FGYJYWOKQNOATM-QMMMGPOBSA-N 249.339 2.501 0 50 BFAA Cc1cnc(C)c(NCCCC[C@H]2CCCO2)n1 1506425047 LBCBIEMIVSBEAI-ZDUSSCGKSA-N 249.358 2.855 0 50 BFAA O=C(O)c1ncoc1-c1ccc2ccccc2n1 1775955648 NJNSMUSEHMDLCT-UHFFFAOYSA-N 240.218 2.588 0 50 BFAA c1ccc(-c2nccn2[C@H]2CCSC2)nc1 1875250526 JLIHGIVBLKNART-JTQLQIEISA-N 231.324 2.623 0 50 BFAA CC(=O)c1ccc(C(=O)OC[C@H]2CC[C@H](C)C2)[nH]1 1875295413 XKCDPWNHIDIYCX-ONGXEEELSA-N 249.310 2.810 0 50 BFAA OC(COc1ccccc1)COc1ccccc1 66296 NKCVHIPHZCIEFC-UHFFFAOYSA-N 244.290 2.505 0 50 BFAA biogenic,in-vitro Cc1cccc(C(=O)Nc2ccccc2O)c1 362902 OTUMFOHWIGPQKD-UHFFFAOYSA-N 227.263 2.953 0 50 BFAA CCOC(=O)Nc1ccc2c(c1)CCC2 371834 ZWTYBEUXTGDBKT-UHFFFAOYSA-N 205.257 2.744 0 50 BFAA O=C1CCCN1c1ccccc1Br 401191 FXXUXPJETBQBKX-UHFFFAOYSA-N 240.100 2.576 0 50 BFAA in-vitro O=C1CCC[C@H]1SC(=S)N1CCCCC1 401304 WECNIUXOOQPAMG-SNVBAGLBSA-N 243.397 2.612 0 50 BFAA O=C(O)c1ccccc1Cc1ccccc1 404457 FESDHLLVLYZNFY-UHFFFAOYSA-N 212.248 2.976 0 50 BFAA biogenic,in-vitro O=C1O[C@@H](c2ccccc2)Nc2ccccc21 410039 LRICLHSLMATMQM-ZDUSSCGKSA-N 225.247 2.968 0 50 BFAA O=C(O)/C=C/c1ccc(F)c(C(F)(F)F)c1 2560192 DESJUJUEXMNIGB-DUXPYHPUSA-N 234.148 2.942 0 50 BFAA in-vitro CC1CCC(NC(=O)c2ccccc2N)CC1 2868815 VJKCHJUHAVFYKR-UHFFFAOYSA-N 232.327 2.577 0 50 BFAA COc1ccc(NC(=O)C2CC2)cc1Cl 3472203 QAAQXEQGUONCQL-UHFFFAOYSA-N 225.675 2.697 0 50 BFAA CCSc1nc2c(C)c(O)c(C)cc2[nH]1 5061136 LJOGHDBYTFSVED-UHFFFAOYSA-N 222.313 2.997 0 50 BFAA O=C(NC1CCCC1)N1CCc2ccccc21 13328236 LQXCQFOPMWMXPR-UHFFFAOYSA-N 230.311 2.701 0 50 BFAA Nc1ccc2nc(Cc3ccccc3)[nH]c2c1 15953323 MQTBODNTRQAUSK-UHFFFAOYSA-N 223.279 2.736 0 50 BFAA COc1ccc(CN[C@@H]2CC[C@H](C)C2)cc1 23280204 YCQVBVSPOWIZHQ-WCQYABFASA-N 219.328 2.973 0 50 BFAA Cc1cc(-c2cccc(C)c2C)nc(N)n1 32519417 XSVLKHGOECGMHB-UHFFFAOYSA-N 213.284 2.651 0 50 BFAA Fc1ccc(-c2nc(-c3ccccn3)n[nH]2)cc1 40175823 XSDUWNYQRGVFFM-UHFFFAOYSA-N 240.241 2.673 0 50 BFAA COc1ccc(-c2ccnc(N)c2)c(C)c1 65418697 YONSIQCNBLUSRX-UHFFFAOYSA-N 214.268 2.648 0 50 BFAA COCCC[C@H]1CCCCN1Cc1ccncc1 77469893 CJANXHLGOJCTFK-OAHLLOKOSA-N 248.370 2.863 0 50 BFAA Cc1ncc(Br)c2cc[nH]c12 89213006 MXEZWCFWFMUGQV-UHFFFAOYSA-N 211.062 2.634 0 50 BFAA in-vitro CSc1cc(F)cnc1Br 95616436 HAXAGOWQZKIMTG-UHFFFAOYSA-N 222.082 2.705 0 50 BFAA in-vitro COc1cccc(-c2cc(C)c(C)[nH]c2=O)c1F 96164312 GOEIGYSSTBTRDJ-UHFFFAOYSA-N 247.269 2.806 0 50 BFAA NCC[C@@H](c1ccccc1)c1cccc(N)c1 113935717 QVSBFMOLASXTCK-HNNXBMFYSA-N 226.323 2.750 0 50 BFAA c1ccc2c(c1)CC(SCCn1cccn1)=N2 119262233 QYXLTIXERWUBQL-UHFFFAOYSA-N 243.335 2.903 0 50 BFAA CC(C)CSC[C@H](C)NCCC(C)(C)O 170599653 BGHWZZXOUNNCLX-NSHDSACASA-N 233.421 2.515 0 50 BFAA C[C@@H](O)Cc1ccc2c(c1)CCC(C)(C)O2 258045369 BTMGYHSOGFTNOE-SNVBAGLBSA-N 220.312 2.714 0 50 BFAA O=C(Nc1cncc(F)c1)c1ccsc1 336038325 DKPWCQKCRDHRHC-UHFFFAOYSA-N 222.244 2.535 0 50 BFAA CCc1nc(-c2cc(C)c(OC)c(C)c2)n[nH]1 426535084 GYAMCCOVRZQNEI-UHFFFAOYSA-N 231.299 2.660 0 50 BFAA COc1ccc(OC(=O)C=C(C)C)cc1 148995 LYIMDMMPUGFSEH-UHFFFAOYSA-N 206.241 2.567 0 50 BFAA CC[C@H](C)Cn1c(CO)nc2ccccc21 352651 MXFLVMFCQOGHHM-JTQLQIEISA-N 218.300 2.575 0 50 BFAA CCc1cccc(C)c1NC(=O)n1ccnc1 402111 SIDZFYAYWZTUEP-UHFFFAOYSA-N 229.283 2.834 0 50 BFAA O=c1oc(-c2ccccc2)nc2ccc(O)cc12 1066646 AYJCPFHHMFGLSQ-UHFFFAOYSA-N 239.230 2.561 0 50 BFAA CCCCNC(=O)Nc1cccc(OC)c1 2171142 QYDUCQLISBYQLF-UHFFFAOYSA-N 222.288 2.617 0 50 BFAA CCN1CCc2[nH]c3ccccc3c2C1 2490688 MYUAGMGKBGUWEN-UHFFFAOYSA-N 200.285 2.546 0 50 BFAA biogenic O=C(O)Cc1cccc(C(F)(F)F)c1Cl 2528375 JZEWYZAIWWNAPZ-UHFFFAOYSA-N 238.592 2.986 0 50 BFAA CCOc1cccc(CC2CCNCC2)c1 2555439 KOHPQSOFWQDMMT-UHFFFAOYSA-N 219.328 2.627 0 50 BFAA in-vitro COc1ccc(-c2ncc(C=O)s2)cc1 2563687 DFJPGTVCVKDDEY-UHFFFAOYSA-N 219.265 2.631 0 50 BFAA in-vitro Cc1nnc2sc(/C=C/c3ccccc3)nn12 4667590 JKPVTJJPEOVAHM-BQYQJAHWSA-N 242.307 2.665 0 50 BFAA Cc1cccc(Cc2c(C)nc(S)nc2O)c1 9698240 ZPEWEXFTMQZECG-UHFFFAOYSA-N 246.335 2.679 0 50 BFAA C[C@H](Oc1ccc2ccccc2c1)C(=O)N(C)C 12380293 SFKOJHZYAGQIOL-NSHDSACASA-N 243.306 2.695 0 50 BFAA COC(=O)C1(c2ccccc2)CCCC1 15014932 GIBVXUDPIGVGMR-UHFFFAOYSA-N 204.269 2.671 0 50 BFAA CNc1ccc(C)cc1Br 20039844 FDDHUFWBGIOMAD-UHFFFAOYSA-N 200.079 2.799 0 50 BFAA in-vitro Cc1ccc(CCC(=O)O)cc1Br 36205455 ZNBGBVAIIXSMHG-UHFFFAOYSA-N 243.100 2.775 0 50 BFAA c1ccc(CN2Cc3cccnc3C2)cc1 63060446 DNVMWHGYSCHZGW-UHFFFAOYSA-N 210.280 2.597 0 50 BFAA in-vitro COC(=O)c1cc(-c2ccc(O)cc2)ccc1F 65340111 XNIXKUIDXMQSGB-UHFFFAOYSA-N 246.237 2.985 0 50 BFAA in-vitro O=Cc1nccnc1-c1ccc(Cl)cc1 95627690 IJSUAAQWBCIVJS-UHFFFAOYSA-N 218.643 2.610 0 50 BFAA CN1CCC2(CC1)OC(C)(C)c1ccccc12 140457752 BEDIWUZTAJMGNN-UHFFFAOYSA-N 231.339 2.873 0 50 BFAA C[C@H](NC(=O)[C@H]1C[C@H]1C)[C@H]1C[C@H]2CC[C@H]1C2 248535672 YREDYQSOQHLZGZ-VVVXUTRGSA-N 221.344 2.583 0 50 BFAA Cc1c(Cl)cc(Cl)cc1CC(=O)O 263625349 ZCHWQRORCAJFSK-UHFFFAOYSA-N 219.067 2.929 0 50 BFAA Cc1cc(C(=O)O)cc(C(=O)OC(C)(C)C)c1 299805193 CJTACSGWVINDBI-UHFFFAOYSA-N 236.267 2.649 0 50 BFAA Cc1cc2c[nH]nc2cc1[C@H]1CC[C@H](C)CN1 757213752 QYRMATFLZVSXTH-TVQRCGJNSA-N 229.327 2.932 0 50 BFAA C=CC(=O)N[C@@](C)(CC)c1ccc(F)cc1 1336681929 NWJALUXBEMGPTR-ZDUSSCGKSA-N 221.275 2.753 0 50 BFAA C[C@H]1CN(CC2CCC=CCC2)CCC1=O 1875271457 XSQRMWSRRLYHOT-LBPRGKRZSA-N 221.344 2.644 0 50 BFAA Cc1cc(C(=O)Nc2cccc(O)c2)co1 446383 KOHYRMHFQJXHDI-UHFFFAOYSA-N 217.224 2.546 0 50 BFAA in-vitro OC1CCC(NC2CCCCCC2)CC1 758071 AYVHXSZPLWCRAK-UHFFFAOYSA-N 211.349 2.602 0 50 BFAA O=C(Nc1ccccc1)c1cc(Cl)ccn1 1703886 OXCAWSPZTRRBLP-UHFFFAOYSA-N 232.670 2.987 0 50 BFAA in-vitro CCCCc1nnc(NC(=O)C=C(C)C)s1 1903561 NDPRMAUCTWMQTM-UHFFFAOYSA-N 239.344 2.785 0 50 BFAA CCn1ncc(NC(=O)c2ccc(C)cc2)c1C 2796451 NBVQEXDLVISISA-UHFFFAOYSA-N 243.310 2.772 0 50 BFAA Cc1cc(C)n(-c2ccc3cccc(N)c3n2)n1 4007926 DDBIKFYWRHCKQT-UHFFFAOYSA-N 238.294 2.620 0 50 BFAA Brc1ccc(-c2cc[nH]n2)cc1 4293887 LXDGTEBHVOKDLE-UHFFFAOYSA-N 223.073 2.839 0 50 BFAA COc1cccc(CSc2nccn2C)c1 6447832 DKSZBGKSWCFJLQ-UHFFFAOYSA-N 234.324 2.721 0 50 BFAA CCCCS(=O)(=O)Nc1cc(C)ccc1F 6726553 CEFFHHYBNOCXRX-UHFFFAOYSA-N 245.319 2.676 0 50 BFAA C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)O 14806725 ZZCGVEYHZSLNKD-LURJTMIESA-N 234.173 2.557 0 50 BFAA CC[C@H](C)[C@@H](CO)N[C@H](C)Cc1ccc(C)cc1 20906746 PEWPWRMMOHYGSZ-SQWLQELKSA-N 249.398 2.923 0 50 BFAA CCOC(=O)[C@H]1[C@H]2c3ccccc3CC[C@H]21 25630254 XDYQDLVZJKAJBM-FRRDWIJNSA-N 216.280 2.526 0 50 BFAA Cc1cccc(-c2nc(C(=O)O)cs2)c1 34613497 UVYLHKYEIBAKAI-UHFFFAOYSA-N 219.265 2.817 0 50 BFAA COc1cncc(NC(=O)OC(C)(C)C)c1C 35270289 MLXHDVCEKKKMHN-UHFFFAOYSA-N 238.287 2.746 0 50 BFAA in-vitro Nc1cc(F)c(Cl)cc1Br 36533100 ZPMKGKUWDFEBFB-UHFFFAOYSA-N 224.460 2.824 0 50 BFAA Oc1ccc2ccncc2c1Br 39119744 IWMFRPFEEWSQIY-UHFFFAOYSA-N 224.057 2.703 0 50 BFAA Cc1nc(Oc2ccccc2)sc1C(=O)O 60165533 FWGBDPRIFGAYIT-UHFFFAOYSA-N 235.264 2.942 0 50 BFAA Nc1ccccc1C1=NCCc2ccccc21 71773234 JWPQKWNQSUAPEC-UHFFFAOYSA-N 222.291 2.662 0 50 BFAA O=C(O)[C@H](Cc1ccccc1)c1ccc(O)cc1 71773978 YQRXIILIXJKTKC-CQSZACIVSA-N 242.274 2.803 0 50 BFAA Cc1coc2ccc(Br)cc2c1=O 84788588 FAXLCYAKZMOQJR-UHFFFAOYSA-N 239.068 2.864 0 50 BFAA COC(=O)c1scc(Br)c1C 98214271 ZTDYZXWQADNRRI-UHFFFAOYSA-N 235.102 2.606 0 50 BFAA Oc1c(C(F)(F)F)cnc2ccccc12 238714141 SAFHXQJHAGCBFO-UHFFFAOYSA-N 213.158 2.959 0 50 BFAA c1nnc(-c2nc([C@H]3C[C@H]4CC[C@H]3C4)cs2)[nH]1 314586131 AZWUZHKHZDYTBC-CIUDSAMLSA-N 246.339 2.832 0 50 BFAA CO[C@H](C)c1ccc(-c2ncccc2CN)cc1 426628372 ZSAIFNXCXYDOOR-LLVKDONJSA-N 242.322 2.915 0 50 BFAA O=Cc1cc(Br)cc(F)c1S 669371974 DYOCEJGHSJMHQG-UHFFFAOYSA-N 235.077 2.689 0 50 BFAA CC[C@@H]1COC[C@@H]1NCCCNc1ccccc1 863983188 DSOUEUCLJPMVEE-HIFRSBDPSA-N 248.370 2.503 0 50 BFAA C[C@@H](N=c1cc[nH]cc1F)C1=CCCCC1 1529190123 FFJHQPWBQKXXIG-SNVBAGLBSA-N 220.291 2.943 0 50 BFAA CC(C)Oc1ccc(NC(=O)C(F)(F)F)cc1 144385 PCXWRNRGGODMSS-UHFFFAOYSA-N 247.216 2.975 0 50 BFAA CC[C@@]1(C)C[C@@H](c2csc(N)n2)CCO1 207014 AECHTYJNUUZQBK-KWQFWETISA-N 226.345 2.788 0 50 BFAA biogenic NC1=NN2C(=CS[C@H]2c2ccccc2)S1 297784 KMFIBTJJVASSRH-VIFPVBQESA-N 235.337 2.509 0 50 BFAA CCn1nc(C)c(NC(=O)c2ccoc2C)c1C 355988 GVTUQQRBJNOGMJ-UHFFFAOYSA-N 247.298 2.674 0 50 BFAA CCOC(=O)c1ccc(C(=O)C(F)(F)F)cc1 2378549 MSPQBVVINOKAFC-UHFFFAOYSA-N 246.184 2.608 0 50 BFAA COc1cc(Cl)cc(C=O)c1OC(C)C 2776885 ZWOOAUXTBHPQPI-UHFFFAOYSA-N 228.675 2.948 0 50 BFAA in-vitro CCC1(c2cnc[nH]2)Cc2ccccc2C1 5424171 HSWPZIDYAHLZDD-UHFFFAOYSA-N 212.296 2.856 0 50 BFAA investigational CC(C)(C)OC(=O)N1CCc2ccc(N)cc2C1 12957716 AGRBXKCSGCUXST-UHFFFAOYSA-N 248.326 2.562 0 50 BFAA in-vitro Brc1ccc(CNC2CC2)cc1 13942722 GLGKPGNDJXTNEF-UHFFFAOYSA-N 226.117 2.701 0 50 BFAA in-vitro CN(C(=O)c1ccccc1)C1CCCC1 20460656 WCCLGXCDZIRGLF-UHFFFAOYSA-N 203.285 2.701 0 50 BFAA Cc1ccc(C)c(CN2C[C@@H](C)O[C@H](C)C2)c1 23114890 JZSZNRKRQYEFDP-ZIAGYGMSSA-N 233.355 2.913 0 50 BFAA OCc1cccc(-c2ncnc3sccc23)c1 32587300 ZMJMTMGOSFABRM-UHFFFAOYSA-N 242.303 2.851 0 50 BFAA O=C(O)c1ccc2nccc(Cl)c2c1 35270026 YZQVIZQQKLUHBL-UHFFFAOYSA-N 207.616 2.586 0 50 BFAA in-vitro CCCN(Cc1ccccc1C)[C@@H](CC)CO 55270152 LUXRWZFEAANISU-HNNXBMFYSA-N 235.371 2.978 0 50 BFAA COC(OC)c1cc2cc(Cl)cnc2o1 66054359 UFVABXALQYXGSV-UHFFFAOYSA-N 227.647 2.773 0 50 BFAA in-vitro Cn1ccc2c(-c3ccc4[nH]cnc4n3)ccnc21 72167588 IKAWCKQMYJDHRB-UHFFFAOYSA-N 249.277 2.512 0 50 BFAA O=C1CC(=O)N(c2ccccc2)c2ccccc21 100293608 JGYPPHHQPBWHTM-UHFFFAOYSA-N 237.258 2.938 0 50 BFAA Nc1nc2cc(Br)c(F)cc2s1 113654950 RPCKLZZTGOIHCJ-UHFFFAOYSA-N 247.092 2.780 0 50 BFAA C[C@@H]1CC[C@@H](Cn2cnc3ccccc32)O1 188531699 HKFHXFVASNJRMQ-MNOVXSKESA-N 216.284 2.604 0 50 BFAA C[C@@H](CCN[C@H]1CCC[C@@H](C)[C@H]1C)[S@](C)=O 242273464 YCXBMSMUMCMXCI-CRQFQMBKSA-N 245.432 2.558 0 50 BFAA CCSCCN[C@@H](C)CN1CCCCCC1 336778314 LAJXOJWBYLEETB-ZDUSSCGKSA-N 244.448 2.594 0 50 BFAA CO[C@@H](C)c1ccc(-c2nc[nH]c(=N)c2C)cc1 426504019 PEMMLDLXPFYUCW-JTQLQIEISA-N 243.310 2.572 0 50 BFAA CC(=N)C(O)(c1ccccc1)c1ccccc1 575443668 XWDRFOBWZVPTKE-UHFFFAOYSA-N 225.291 2.962 0 50 BFAA O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NC1CC=CC1 584907921 RLPGGYMOMYITGJ-SRVKXCTJSA-N 219.328 2.648 0 50 BFAA O=C(Nc1cccc(C2CC2)n1)C1C[C@H]2C[C@@H]2C1 615289607 IBIZJKUNJHTRRK-GHMZBOCLSA-N 242.322 2.944 0 50 BFAA Cc1ncsc1CN[C@@H](C)Cc1ccccn1 655844732 WBDUEACLBUESTD-JTQLQIEISA-N 247.367 2.567 0 50 BFAA C[C@](N)(CCC(F)(F)F)C(F)(F)F 1772718201 XQYZISXQYWDMFM-BYPYZUCNSA-N 209.133 2.609 0 50 BFAA O=C(NC1CCCC1)[C@H]1CC[C@@H]2CCC[C@@H]21 1857671842 SSICOAZWBDTUMF-DRZSPHRISA-N 221.344 2.872 0 50 BFAA O=C(O)c1ccc([C@@]2(F)CC2(F)F)cc1 1857787362 ZAKLSBLHZDCFGN-VIFPVBQESA-N 216.158 2.589 0 50 BFAA Cn1c(-c2cccs2)nc2cnccc21 198032 IOHHOFMDLJDFTB-UHFFFAOYSA-N 215.281 2.697 0 50 BFAA CCN(CC)C(=O)[C@@H](C)Cc1ccccc1 409779 ZOPLQKBSKLODCX-LBPRGKRZSA-N 219.328 2.734 0 50 BFAA Cc1cnn(C(=O)c2ccc(Cl)s2)c1 1053409 JSXGDWRFTDAAEW-UHFFFAOYSA-N 226.688 2.595 0 50 BFAA O=C1C[C@H](c2ccccc2)c2ccc(O)cc2O1 1668601 FPHAXRIFTRBSSY-CYBMUJFWSA-N 240.258 2.833 0 50 BFAA Cc1occc1C(=O)Nc1ccccc1 2169427 JFSPBVWPKOEZCB-UHFFFAOYSA-N 201.225 2.840 0 50 BFAA in-vitro Cc1nnc(-c2ccccc2Br)o1 5423638 QOMHHFGPICCGLG-UHFFFAOYSA-N 239.072 2.808 0 50 BFAA Cc1n[nH]c(SCc2ccccc2F)n1 8299424 WURMAGFOQCJIKA-UHFFFAOYSA-N 223.276 2.545 0 50 BFAA Cc1ccc(N2NC3(CCCCC3)NC2=O)cc1 8813033 DYPFDPKZCGZSKK-UHFFFAOYSA-N 245.326 2.690 0 50 BFAA O=C(O)CSCCOc1ccc(Cl)cc1 20284424 SENQEYBTQCBZDQ-UHFFFAOYSA-N 246.715 2.537 0 50 BFAA CC(=O)c1csc(Br)c1 39268248 BEDKDDPMXRCHPJ-UHFFFAOYSA-N 205.076 2.713 0 50 BFAA CC[C@](NC=O)(c1ccc(F)cc1)C(C)C 44124834 NDQGQPTTZXQRJE-CYBMUJFWSA-N 223.291 2.833 0 50 BFAA Cc1nc2cc(-c3cc[nH]n3)ccc2s1 67934942 CZXCORXCFFLVEU-UHFFFAOYSA-N 215.281 2.995 0 50 BFAA C1CNC[C@H](COC23CC4CC(CC(C4)C2)C3)C1 96027791 MSARYNFMLLSRJM-DYCFOQDWSA-N 249.398 2.971 0 50 BFAA CCc1cnc(C)c(Br)c1 98090979 PMSRSAOKYKLVOT-UHFFFAOYSA-N 200.079 2.715 0 50 BFAA O=C(O)/C=C/c1c(Cl)cc(O)cc1Cl 138259384 ONAVMNBUJXUCLL-OWOJBTEDSA-N 233.050 2.797 0 50 BFAA C=Cn1cc(CNc2ccccc2F)cn1 194340735 KDJKJCKXFWYDLZ-UHFFFAOYSA-N 217.247 2.735 0 50 BFAA C[C@@]12[C@@H](C(=O)O)[C@@]1([Si](C)(C)C)[C@H]1C=C[C@H]2C1 196233367 FRGMBCAWYUBFTI-TXDRYBTRSA-N 236.387 2.992 0 50 BFAA O=C(C(F)F)N1CC[C@@H](CC2CCCC2)C1 373342798 CWTMIBNPJKNNPH-JTQLQIEISA-N 231.286 2.680 0 50 BFAA c1ccc(CNCC[C@H]2CCCOC2)cc1 408525916 OOEROOHBDPDELM-CQSZACIVSA-N 219.328 2.593 0 50 BFAA CC[C@@H](C)N(CC)C(=O)COc1ccccc1 616986239 NSHWRWPHCOUJCO-GFCCVEGCSA-N 235.327 2.712 0 50 BFAA Cc1cnc(CNc2cccc3cc[nH]c23)[nH]1 1474121413 UZRQDAKDSOKZKW-UHFFFAOYSA-N 226.283 2.812 0 50 BFAA CC1(C)C[C@@H]2C[C@@](C)(CN2CCn2ccnc2)C1 1506400094 TWWQRJULDSZMOS-UKRRQHHQSA-N 247.386 2.784 0 50 BFAA CCOC(=O)c1ccc(SC)c(C)c1O 40456 PUORKTZVXSVRKU-UHFFFAOYSA-N 226.297 2.599 0 50 BFAA CC[C@H](C)N(C(=O)[C@H]1CCCO1)[C@@H](C)CC 476576 NUNUDSKUPNYYGR-SDDRHHMPSA-N 227.348 2.591 0 50 BFAA Cc1ccccc1OCC(=O)N1CCC(C)CC1 478715 SZJMSHZTOYKAQK-UHFFFAOYSA-N 247.338 2.632 0 50 BFAA Cc1nc2cc(N)ccc2n1Cc1ccccc1 577441 CNNHMFSRMLZBIE-UHFFFAOYSA-N 237.306 2.975 0 50 BFAA Oc1ccc(C(=S)N2CCCC2)cc1Cl 611988 PLOCQAZIZXZKDR-UHFFFAOYSA-N 241.743 2.817 0 50 BFAA O=C(Cc1cccc2ccccc12)NC1CC1 618064 AODJPSKKHFEVIQ-UHFFFAOYSA-N 225.291 2.661 0 50 BFAA Cc1ccc(C(=O)NCc2cccnc2)c(C)c1 1268115 UMJAUKLUCFFFCF-UHFFFAOYSA-N 240.306 2.628 0 50 BFAA Cc1cc(C)c(O)c(Br)c1 1702333 CZZYAIIAXDTWEE-UHFFFAOYSA-N 201.063 2.772 0 50 BFAA in-vitro O=C(O)/C=C/c1ccc(Cl)cc1F 2512518 FVLPOWWRHAOKMT-DUXPYHPUSA-N 200.596 2.577 0 50 BFAA in-vitro c1ccc2c(c1)CCCC21CCNCC1 2577427 PLWMBYBVKVUTBR-UHFFFAOYSA-N 201.313 2.644 0 50 BFAA in-vitro FC(F)(F)c1ccc(OC2CCNCC2)cc1 2579331 HRYZQEDCGWRROX-UHFFFAOYSA-N 245.244 2.836 0 50 BFAA in-vitro CN(C)C(=O)N1CCC(Cc2ccccc2)CC1 2879266 MYGHRPMAQATJGP-UHFFFAOYSA-N 246.354 2.623 0 50 BFAA COc1cccc([C@H](O)c2ccc(F)cc2)c1 4255929 PHFPJJBUBMSEKR-CQSZACIVSA-N 232.254 2.916 0 50 BFAA CCO[C@H](CC)c1ccc2c(c1)OCCO2 4845709 LNHLJTKPCVBJSS-LLVKDONJSA-N 222.284 2.945 0 50 BFAA CCOC(=S)SCC(=O)c1ccccc1 5953303 BPYVXPDTAGOELX-UHFFFAOYSA-N 240.349 2.924 0 50 BFAA Clc1ccc(NC[C@H]2CCCN2)cc1 6658319 GGRGRQNOGPCURF-LLVKDONJSA-N 210.708 2.504 0 50 BFAA CCOC(=O)c1csc(Br)c1 34526658 LUYMKCLOYODOEI-UHFFFAOYSA-N 235.102 2.687 0 50 BFAA in-vitro Clc1nc(Cl)c2c(n1)CCSC2 44136805 IHJDGIDSEZWIQT-UHFFFAOYSA-N 221.112 2.573 0 50 BFAA in-vitro Cc1ccccc1CN(CCO)Cc1ccoc1 65394105 JXBASRNERHKUOO-UHFFFAOYSA-N 245.322 2.583 0 50 BFAA O=[S@@]1c2ccccc2Nc2ccc(O)cc21 71777896 NKNOZWHLHDFNKU-INIZCTEOSA-N 231.276 2.616 0 50 BFAA Cc1cc(Cl)ccc1CNCc1ccnn1C 128902486 BIQJQBHVBJZISH-UHFFFAOYSA-N 249.745 2.672 0 50 BFAA C=CC(=O)N[C@@H]1CCC[C@@H]2CCCC[C@H]21 141055552 LKPFVVUIGDXNNU-QJPTWQEYSA-N 207.317 2.648 0 50 BFAA O=C(Nc1ccc(C2CC2)c(F)c1)[C@@H]1CCCO1 170611444 JIXWOHWEROWKHJ-ZDUSSCGKSA-N 249.285 2.821 0 50 BFAA C[C@H]1CN(CCC(=O)O)CC[C@@H]1c1ccccc1 237622250 WZLWUSHJUJQOJR-JSGCOSHPSA-N 247.338 2.587 0 50 BFAA O[C@@H]1[C@H]2C=C[C@H]1[C@@H]1[C@H]2[C@H]2C=C[C@H]1c1ccccc12 247755778 WERFPVGFROEBJU-OGEQHFGCSA-N 236.314 2.846 0 50 BFAA Cc1ccc(OC(F)F)c(Br)n1 263624767 TZVNOZDVOBQKOX-UHFFFAOYSA-N 238.031 2.754 0 50 BFAA Cc1ccnc(OC(F)F)c1Br 263624776 UBFHFOWKCJGJAL-UHFFFAOYSA-N 238.031 2.754 0 50 BFAA CCc1nnc(NCc2ccc(F)c(F)c2)o1 296104826 UQBSMOKSODCRHN-UHFFFAOYSA-N 239.225 2.522 0 50 BFAA OCCN1CCC[C@@H]1[C@H]1CCCc2ccccc21 371884961 XGAVHBZTBKGHJF-JKSUJKDBSA-N 245.366 2.563 0 50 BFAA O=C(O)CCc1ccc(F)c2c1CCCC2 584879979 GJDSBWBDKKRJRJ-UHFFFAOYSA-N 222.259 2.722 0 50 BFAA Cc1cc(Cl)cc2c1OC[C@H]([C@H](C)N)C2 675063742 NCOWYIMTFGWVDD-WCBMZHEXSA-N 225.719 2.547 0 50 BFAA Brc1cccc(Br)n1 164590 FEYDZHNIIMENOB-UHFFFAOYSA-N 236.894 2.607 0 50 BFAA CC(C)CCOC(=O)c1ccccc1O 394966 PMGCQNGBLMMXEW-UHFFFAOYSA-N 208.257 2.595 0 50 BFAA endogenous,in-man NCCOc1ccccc1-c1ccccc1 1770010 HQNCHQRPPCLSCC-UHFFFAOYSA-N 213.280 2.691 0 50 BFAA in-vitro O[C@H](c1ccc(Cl)cc1)c1ccccn1 2044938 ZFUPOFQRQNJDNS-GFCCVEGCSA-N 219.671 2.817 0 50 BFAA in-vitro C[C@H]([C@H](O)C12CC3CC(CC(C3)C1)C2)N(C)C 3897328 GFPDBAUVWCFADK-YRQUSYLGSA-N 237.387 2.514 0 50 BFAA CC1=NN(c2ccccc2)[C@](O)(C(F)(F)F)C1 5306512 BIHGTJKBWWOWEI-SNVBAGLBSA-N 244.216 2.524 0 50 BFAA CCOC(=O)N[C@H]1CCCc2ccccc21 5672645 RUQOSAQQCDVMKV-LBPRGKRZSA-N 219.284 2.810 0 50 BFAA NC(=S)Nc1cc(Cl)ccc1Cl 13658984 UQCOANNCPUOZNW-UHFFFAOYSA-N 221.112 2.649 0 50 BFAA O=Cc1cnc(SCc2ccccc2)nc1 14608611 VLTDTICMHNEHCX-UHFFFAOYSA-N 230.292 2.581 0 50 BFAA in-vitro NC[C@@H](c1ccccc1)c1ccc(F)cc1 14808321 BQCBHPSVAJAMFB-AWEZNQCLSA-N 215.271 2.916 0 50 BFAA c1ccc(COCn2nnc3ccccc32)cc1 15773156 FWEHRBRTRNWRBZ-UHFFFAOYSA-N 239.278 2.606 0 50 BFAA C[C@H](NCC(F)(F)F)c1ccccc1 19512293 OSMHFAPZPMZUSZ-QMMMGPOBSA-N 203.207 2.900 0 50 BFAA CC(C)(CN)c1cccc(C(F)(F)F)c1 37934521 PPHOQALIUKTFGB-UHFFFAOYSA-N 217.234 2.942 0 50 BFAA in-vitro CC(=O)OCc1c(C)c(C)c(C=O)c(C)c1C 40488499 JJBGQNLMONPING-UHFFFAOYSA-N 234.295 2.796 0 50 BFAA CCC/C=C/c1ccc(-c2nnn[nH]2)cc1 67869115 GEEBVDHOKRXVII-SNAWJCMRSA-N 214.272 2.680 0 50 BFAA CCN(C)C1(CNc2ccncn2)CCCCC1 92037127 RESINXMHEBZFEP-UHFFFAOYSA-N 248.374 2.543 0 50 BFAA Fc1ccc(CSc2ncco2)nc1 335274643 DVMFABMEZHLWMQ-UHFFFAOYSA-N 210.233 2.501 0 50 BFAA CCOc1ncccc1-c1cnn(CC2CC2)c1 426667330 GTZCMHDZEJPUOS-UHFFFAOYSA-N 243.310 2.754 0 50 BFAA O=Cc1nc(C2CC2)sc1Br 1775956170 XZNBVAMIGSUZRH-UHFFFAOYSA-N 232.102 2.596 0 50 BFAA CCc1ccc(-c2ncc3c(ncn3C)n2)cc1 2356136967 CXMANXNIQHTUIT-UHFFFAOYSA-N 238.294 2.593 0 50 BFAA Cc1cc(C)c(NC(=O)CNC(C)(C)C)c(C)c1 186662 SUPLEUDYRHBISD-UHFFFAOYSA-N 248.370 2.938 0 50 BFAA COc1ccccc1Cc1noc(C(C)(C)C)n1 441832 WLYMYWVQOXNNOI-UHFFFAOYSA-N 246.310 2.967 0 50 BFAA O=C(NCc1cccnc1)Nc1ccccc1F 480150 HYTNMELRKNHNGH-UHFFFAOYSA-N 245.257 2.542 0 50 BFAA Cc1noc(-c2ccc(Br)cc2)n1 988305 AVXXUFMZRHQRTK-UHFFFAOYSA-N 239.072 2.808 0 50 BFAA in-vitro CCOC(=O)C(CC(CC)CC)C(=O)OCC 2166645 ZUBFQMSEODIUCT-UHFFFAOYSA-N 244.331 2.555 0 50 BFAA CCCNC(=O)c1oc2ccccc2c1C 2510418 IICUCKCUFCKWDN-UHFFFAOYSA-N 217.268 2.881 0 50 BFAA COc1ccccc1-c1ccc(CC(=O)O)cc1 2581004 JZJOTHHEMRLHTF-UHFFFAOYSA-N 242.274 2.989 0 50 BFAA CCCCSC[C@H](COC(C)C)OC(C)=O 2977587 QPPPCVIPIYILKC-LBPRGKRZSA-N 248.388 2.876 0 50 BFAA Cc1ccc(NC[C@@H]2CCCN2)cc1Cl 6658207 TUTKXCXQQGCPPC-NSHDSACASA-N 224.735 2.812 0 50 BFAA in-vitro CCc1ccc([C@H](C)NC(=O)[C@@H]2CCCO2)cc1 6698187 CRKWRKJYTWXEFR-FZMZJTMJSA-N 247.338 2.605 0 50 BFAA NCCSCc1cccc(Cl)c1 8730092 SEPNWHFXXYJXJP-UHFFFAOYSA-N 201.722 2.532 0 50 BFAA in-vitro NCCN(C1CCCCC1)C1CCCCC1 19274798 MILHQHDXRQFQCW-UHFFFAOYSA-N 224.392 2.913 0 50 BFAA CCNc1ccc(Br)cc1 19772264 VYSQUDVPQJEULO-UHFFFAOYSA-N 200.079 2.881 0 50 BFAA in-vitro CCOC(=O)c1ncoc1-c1ccccc1F 43304269 GPEOZYVVQQBGDO-UHFFFAOYSA-N 235.214 2.657 0 50 BFAA O=Cc1cc(F)c(F)cc1Br 63772318 ZHSZEWFWVDLMDL-UHFFFAOYSA-N 221.000 2.540 0 50 BFAA in-vitro Cc1ccccc1CC[C@H]1CCCN(CCO)C1 72120999 RWMFXSGNSHJGOZ-OAHLLOKOSA-N 247.382 2.632 0 50 BFAA CCCOC(=O)NCCCCCNC(C)(C)C 96027349 NRZDZEATUSIGLW-UHFFFAOYSA-N 244.379 2.681 0 50 BFAA O=C1Nc2ccccc2N=C2CCC[C@H]12 100853473 FKFLNGUFPIVPJE-QMMMGPOBSA-N 200.241 2.511 0 50 BFAA Cc1cc(C)nc(CN(C)Cc2cscn2)c1 244882641 XVPWWXBOHIQPFU-UHFFFAOYSA-N 247.367 2.787 0 50 BFAA CCCC[C@]1(C)NC(=O)N(c2ccccc2C)N1 334160686 JVMOXIVUWQUSGA-CQSZACIVSA-N 247.342 2.936 0 50 BFAA O=C1CC(C(=O)N2CCC3(CCCCCC3)C2)C1 378487635 ITGZKCKBTFYWQK-UHFFFAOYSA-N 249.354 2.538 0 50 BFAA CC1=NO[C@H](c2nc(-c3ccc(C)cc3)no2)C1 585133567 MJBZXOZZVPKCKW-NSHDSACASA-N 243.266 2.882 0 50 BFAA CC[C@@H](C)c1nnc2n1CCCCCC2 630952071 VRUMXVDGOZEQRR-SNVBAGLBSA-N 207.321 2.908 0 50 BFAA C=CC(=O)N1Cc2ccccc2C[C@H]1CC 1346090218 CHDHOQZARLCFHY-CYBMUJFWSA-N 215.296 2.536 0 50 BFAA C=CC(=O)Nc1cccc(Oc2ccccc2)n1 1776005505 JZXZNPZGCSHDOM-UHFFFAOYSA-N 240.262 2.998 0 50 BFAA Fc1cccc(-c2cnc3cnccn23)c1 2100480941 WBXOJBXQHLDALP-UHFFFAOYSA-N 213.215 2.535 0 50 BFAA O=C(O)COc1ccc(-c2ccccc2)cc1 116651 UEXMWDXKHUIBSJ-UHFFFAOYSA-N 228.247 2.817 0 50 BFAA in-vitro c1ccc(Oc2cccc(-c3nnn[nH]3)c2)cc1 2389417 TYNITQBHBADQAR-UHFFFAOYSA-N 238.250 2.659 0 50 BFAA C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)O 2583851 ZZCGVEYHZSLNKD-ZCFIWIBFSA-N 234.173 2.557 0 50 BFAA NC(=O)N1CCC(CCCc2ccccc2)CC1 4290644 WTFXWITWEWXHAW-UHFFFAOYSA-N 246.354 2.800 0 50 BFAA CCOc1cccc(OCCN2CCCC2)c1 4845198 YOKJSUDNDCBZAK-UHFFFAOYSA-N 235.327 2.560 0 50 BFAA O=C1CCCCN1C12CC3CC(CC(C3)C1)C2 5480350 JEBHNKYSIIPZJL-UHFFFAOYSA-N 233.355 2.968 0 50 BFAA Oc1ccc(C(=S)N2CCCCCC2)cc1 13126199 BKPRZAGIVFQQJB-UHFFFAOYSA-N 235.352 2.944 0 50 BFAA CCCC(=O)Nc1ccc(-c2cncnc2)cc1 32561097 SGBHKXNAEHXACB-UHFFFAOYSA-N 241.294 2.882 0 50 BFAA C[C@@H]1C(=O)C[C@@H](c2ccco2)N[C@H]1c1ccco1 34685099 ODBXCYFSKSAVDY-ISTVAULSSA-N 245.278 2.854 0 50 BFAA OCc1ccc(Oc2ccc(O)cc2)cc1 44124384 MIYIMXTTXSVQME-UHFFFAOYSA-N 216.236 2.677 0 50 BFAA CCC(=O)N[C@H]1CC(C)(C)Oc2ccccc21 71375926 IEMWMCVMYBJZCE-NSHDSACASA-N 233.311 2.815 0 50 BFAA FC(F)c1cccnc1Br 73641038 RBKISNDTOFJWQZ-UHFFFAOYSA-N 208.005 2.782 0 50 BFAA in-vitro C[C@H]1COc2cccc(Br)c2OC1 74937854 SVQYBLHUCPEMDG-ZETCQYMHSA-N 243.100 2.856 0 50 BFAA in-vitro Cc1cccc(COC(=O)CCCCCN)c1 95918080 VDXSBZZXQARITE-UHFFFAOYSA-N 235.327 2.557 0 50 BFAA O=C(NC1CCCC1)c1ccc(O)cc1Cl 261493429 AVQAKZVZRFEHEL-UHFFFAOYSA-N 239.702 2.718 0 50 BFAA C1=CO[C@H](CN[C@H]2CCC23CCCC3)CC1 309655946 ZHPMGCSPWZXOPE-STQMWFEESA-N 221.344 2.992 0 50 BFAA CN(C(=O)C1=CCC1)C1CCC(F)(F)CC1 334448998 PAZOGQKLWQSHRH-UHFFFAOYSA-N 229.270 2.743 0 50 BFAA O=Cc1cccc(-c2noc(C3CCC3)n2)c1 725273549 KJVXNMMVBDMKSK-UHFFFAOYSA-N 228.251 2.817 0 50 BFAA C=CC(=O)NCc1ccc(-c2ccsc2)nc1 1776003143 BPGYTPDFQUMFSS-UHFFFAOYSA-N 244.319 2.612 0 50 BFAA c1coc(-c2nccn2C[C@@H]2C[C@@H]3CC[C@H]2O3)c1 1875246818 NNRMGBPYWAYIPK-SDDRHHMPSA-N 244.294 2.711 0 50 BFAA CN(C)CC(C)(C)CN[C@H]1[C@@H](F)CCC1(C)C 2325773688 OBEAFEXZDMZPJR-RYUDHWBXSA-N 244.398 2.691 0 50 BFAA CCc1cccc(CC)c1NC(=O)N(C)C 396901 KXLPUYQOJCAMBP-UHFFFAOYSA-N 220.316 2.905 0 50 BFAA CNC(=S)Nc1ccc(Cl)cc1C 619162 AKRQUARRWKDBMF-UHFFFAOYSA-N 214.721 2.565 0 50 BFAA Cc1cc(C)n(C/C=C/Cn2nc(C)cc2C)n1 2481864 POOAZUNAJAQOFD-AATRIKPKSA-N 244.342 2.570 0 50 BFAA COc1ccc(Br)cc1C(C)=O 2511063 GLKBPFOSTPLEKE-UHFFFAOYSA-N 229.073 2.660 0 50 BFAA in-vitro O=C(O)c1c[nH]c2ccc(Br)cc12 2547984 JVZMBSGNSAHFCY-UHFFFAOYSA-N 240.056 2.629 0 50 BFAA biogenic,in-vitro O=c1cc[nH]c2c(Cl)cc(Cl)cc12 2564333 LXZBIKOKMYPBAN-UHFFFAOYSA-N 214.051 2.835 0 50 BFAA in-vitro Cc1ccc(NC(=O)OC(C)(C)C)cc1N 2599345 HOVDUPXBRBXFBP-UHFFFAOYSA-N 222.288 2.924 0 50 BFAA in-vitro O=C(NOCc1ccccc1)C1CCCCC1 6223238 OKFYBNPULQFGII-UHFFFAOYSA-N 233.311 2.815 0 50 BFAA CC[C@@H](C)NC(=O)NCc1ccc(Cl)cc1 13746303 GKBJVSYEGVKPCO-SECBINFHSA-N 240.734 2.938 0 50 BFAA O[C@@H]1CCCC[C@H]1N1CC[C@@H](c2ccccc2)C1 13756219 LRWOETBLULBTDE-BZUAXINKSA-N 245.366 2.779 0 50 BFAA CCOc1cccc(C(=O)N2CCC(C)CC2)c1 16604700 QQRPYUYKSAXJTQ-UHFFFAOYSA-N 247.338 2.957 0 50 BFAA CCCC[C@H](CCCCCC(=O)O)C(=O)O 33986223 OWCLRJQYKBAMOL-SNVBAGLBSA-N 230.304 2.913 0 50 BFAA COc1ccc(-c2nc3ccccc3[nH]2)cc1O 34155205 PXPZXDLGNKRETH-UHFFFAOYSA-N 240.262 2.944 0 50 BFAA CN(C(=O)OC(C)(C)C)c1ccc(O)cc1 38056619 OLCINQXFUANAPJ-UHFFFAOYSA-N 223.272 2.764 0 50 BFAA in-vitro COc1ccc(-c2ccc(C(C)=O)cn2)cc1 40448161 OWSNIPNNXNMXMR-UHFFFAOYSA-N 227.263 2.960 0 50 BFAA COc1ncc(-c2c(C)cccc2C)c(OC)n1 65410266 OJGPHPBFGAHNLL-UHFFFAOYSA-N 244.294 2.778 0 50 BFAA O=C(N[C@H]1COC2(CCCCC2)C1)c1ccco1 65525510 ATZIQQCSDBKIHY-LLVKDONJSA-N 249.310 2.501 0 50 BFAA Fc1c(Br)cc2nc[nH]c2c1F 95495612 OCZVPWYZFGBSLI-UHFFFAOYSA-N 233.015 2.604 0 50 BFAA COC(=O)c1ccc2cc(Cl)ncc2c1 95836385 ZBUNATVELTUCEY-UHFFFAOYSA-N 221.643 2.675 0 50 BFAA CC(C)(C)C(=O)Nc1ncccc1Cl 123772708 HHGRYBJCZLWBBB-UHFFFAOYSA-N 212.680 2.720 0 50 BFAA C[C@H]1CC[C@@H](C)N1C(=O)CCC(F)(F)F 336035169 PDYFWLBWNPVSSQ-OCAPTIKFSA-N 223.238 2.728 0 50 BFAA Cc1ccncc1NC(=O)C(C)(C)C(F)F 336329656 QKGOUCZUTNHFLA-UHFFFAOYSA-N 228.242 2.620 0 50 BFAA COCC1(CN[C@@H]2CCCSC2)CCCC1 449743530 YQGKMNWBLMBVIU-GFCCVEGCSA-N 243.416 2.678 0 50 BFAA Cc1cc2c[nH]nc2cc1[C@H]1CNC[C@H](C)C1 757207536 BVNSLHQPBIIHSX-MWLCHTKSSA-N 229.327 2.584 0 50 BFAA CCn1c(C(=O)NC2(C)CC2)cc2ccccc21 1116089457 FUJUPAXRYIEEQK-UHFFFAOYSA-N 242.322 2.944 0 50 BFAA CCOC(OCC)c1ccc(C=O)cc1 56628 HTMXMFARWHNJDW-UHFFFAOYSA-N 208.257 2.571 0 50 BFAA CCCN1c2cccc3cccc(c23)S1(=O)=O 93800 SYXCGDBAJXDIOY-UHFFFAOYSA-N 247.319 2.759 0 50 BFAA Cc1nnc(N2CCCCC2)c2ccccc12 274085 HBEIWQYSNGCUDK-UHFFFAOYSA-N 227.311 2.929 0 50 BFAA Cc1c(O)ccc2c3c(c(=O)oc12)CC[C@H](C)C3 616391 GOVCMCBRRHXKQX-QMMMGPOBSA-N 244.290 2.932 0 50 BFAA Cc1ccc(CNC(=O)c2c(C)noc2C)cc1 1368410 FJTAWRXMIAXBGO-UHFFFAOYSA-N 244.294 2.530 0 50 BFAA NCCSCc1ccccc1Cl 1668371 CEOBXCFVZOZDFM-UHFFFAOYSA-N 201.722 2.532 0 50 BFAA in-vitro C=C1c2cc(OC)ccc2NC(=O)N1CC 2296652 ZNDQYUNOPFXNQZ-UHFFFAOYSA-N 218.256 2.533 0 50 BFAA Cc1cc(C(=O)Nc2ccc(C)c(F)c2)no1 2800831 UJLKLBZTWKZXCW-UHFFFAOYSA-N 234.230 2.683 0 50 BFAA Cc1nc(/C=C/C(=O)O)oc1-c1ccccc1 3091287 QHOZMZBMSIFQMJ-BQYQJAHWSA-N 229.235 2.748 0 50 BFAA c1ccc(CNCCNc2ccccc2)cc1 4708884 BOVAATPZPVIWPU-UHFFFAOYSA-N 226.323 2.888 0 50 BFAA Cc1ccsc1CNCc1ccco1 4942813 HKDYUXJVCFCIGG-UHFFFAOYSA-N 207.298 2.939 0 50 BFAA OC1=NC(=S)S/C1=C/c1ccc(O)cc1 15933443 RAYIDZVPIAJJPF-VMPITWQZSA-N 237.305 2.721 0 50 BFAA Cc1c2c(Br)cccc2nn1C 36533445 DZHIUSSSKAQHIW-UHFFFAOYSA-N 225.089 2.644 0 50 BFAA in-vitro CCOC(=O)[C@@H]1[C@H]2CCc3ccccc3[C@H]21 39186480 XDYQDLVZJKAJBM-YNEHKIRRSA-N 216.280 2.526 0 50 BFAA CCOC(=O)c1ccc(Br)c(F)c1 47202648 DDINDBNRZWUYBR-UHFFFAOYSA-N 247.063 2.765 0 50 BFAA in-vitro CCOC(=O)C(F)(F)c1ccccc1C 52232621 PPJHEHGTSULBGX-UHFFFAOYSA-N 214.211 2.650 0 50 BFAA in-vitro Nc1cc2ccccc2nc1C(F)(F)F 77868058 OGKZZXVXLZCMQW-UHFFFAOYSA-N 212.174 2.836 0 50 BFAA C[C@]1(Cc2ccc(F)c(F)c2)CCCN1 148479793 HRJWUXSEYPZJFN-GFCCVEGCSA-N 211.255 2.649 0 50 BFAA COc1ncccc1N[C@@H](C)c1cncc(F)c1 170067557 FYDIIUXSSQMWGS-VIFPVBQESA-N 247.273 2.797 0 50 BFAA CC[C@]1(CO)CCCN1Cc1ccccc1F 170087235 JSSIYFNTPQWNNG-CQSZACIVSA-N 237.318 2.563 0 50 BFAA O=C(NC1CCCCC1)[C@@H]1C[C@H]2CC[C@H]1C2 243494128 NROXXQMMCWFJOV-GMXVVIOVSA-N 221.344 2.872 0 50 BFAA C[C@H](N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1ccco1 248717903 LCUZRMXNMSDHLH-CDGCEXEKSA-N 247.338 2.888 0 50 BFAA Nc1cccnc1-c1ccc(-n2cccn2)cc1 426544415 PQDZGQLDPOJJKI-UHFFFAOYSA-N 236.278 2.517 0 50 BFAA COC(=O)c1cccc(-c2ccccc2CN)c1 1239733117 TZXHYOJGONEUQY-UHFFFAOYSA-N 241.290 2.599 0 50 BFAA F[C@H]1CCC[C@@H](CN2CCn3cccc3C2)C1 2325771697 IARMGAFERSJFIA-OLZOCXBDSA-N 236.334 2.832 0 50 BFAA CCC[C@H](C)C(=O)NCc1ccccc1 30707 GFVPUIVHIRNQGT-NSHDSACASA-N 205.301 2.739 0 50 BFAA biogenic CC[C@H](C)C(=O)NCc1ccc(C)cc1 30727 KXMWLEIYHAUXFA-NSHDSACASA-N 205.301 2.657 0 50 BFAA Cc1cc(C)c(-n2cccc2CN)c(C)c1 35367 BINRQELKZSHRAZ-UHFFFAOYSA-N 214.312 2.861 0 50 BFAA Cc1ccccc1C(=O)Nc1cccc(N)c1 123112 FSBTYWBFOYSCQM-UHFFFAOYSA-N 226.279 2.830 0 50 BFAA in-vitro CC(=O)Nc1ccc2c3c(cccc13)CC2 247801 RXRZTIATQMVXOK-UHFFFAOYSA-N 211.264 2.897 0 50 BFAA COc1ccc([C@@H]2CCCC[C@H]2O)cc1 393738 FHVVYVTWZBXZBN-QWHCGFSZSA-N 206.285 2.714 0 50 BFAA CCc1ccc(NC(C)=O)cc1Br 398783 QCLXGQPIAGZMQN-UHFFFAOYSA-N 242.116 2.970 0 50 BFAA CN(C(=O)c1ccccc1N)c1ccccc1 1688172 PAAMPFHGRZZYDQ-UHFFFAOYSA-N 226.279 2.545 0 50 BFAA in-vitro CCCCNC(=O)Nc1ccc(F)c(F)c1 2760155 HVTFGHQPKTWJAA-UHFFFAOYSA-N 228.242 2.886 0 50 BFAA CCOc1ccc(Br)c(C)n1 6870263 GEBGDYWVDOXQAE-UHFFFAOYSA-N 216.078 2.551 0 50 BFAA in-vitro Cc1cc(C)nc(NC(=O)C2CCCC2)c1 8548810 MDTQUQRPWYEEPH-UHFFFAOYSA-N 218.300 2.827 0 50 BFAA COc1cc(F)c(Br)cc1OC 34745909 AGGGNHIRTLQXSD-UHFFFAOYSA-N 235.052 2.605 0 50 BFAA in-vitro COC(=O)c1ccc(C(F)(F)F)cc1F 44199510 QCBVUHGECYPLFY-UHFFFAOYSA-N 222.137 2.631 0 50 BFAA in-vitro COCCOCc1cccc(Br)c1 49600978 QKVCPDALWVZRAH-UHFFFAOYSA-N 245.116 2.612 0 50 BFAA in-vitro CC1(C)CNCc2ccc(Br)cc21 91368462 XUBWHPFDYPZSEV-UHFFFAOYSA-N 240.144 2.830 0 50 BFAA Cc1ccc2c(c1)[C@H](Cc1ccco1)C(=O)N2 96822489 PVNQAUTYFHMZJJ-LBPRGKRZSA-N 227.263 2.866 0 50 BFAA O=Cc1cc(F)c(C(F)(F)F)cc1F 202901468 ABRSPLYHKGFMBR-UHFFFAOYSA-N 210.101 2.796 0 50 BFAA C[C@@H]1CC[C@H](OC(=O)c2cocn2)C[C@H]1C 253369803 IIOSMUAHNLIVFT-BBBLOLIVSA-N 223.272 2.656 0 50 BFAA CC1=CC[C@H]2CO[C@H](CN3CCCCC3)[C@H]1C2 253388847 JFVBLVUPDVJWIA-QLFBSQMISA-N 235.371 2.844 0 50 BFAA COC(=O)c1cc2cc(F)ccc2nc1Cl 258348341 QUTMHDUGIYGJQW-UHFFFAOYSA-N 239.633 2.814 0 50 BFAA Cc1cc(C(=O)N[C@@H]2CC[C@H](F)C2)oc1C 334276013 NENLOPRTRVFFAW-VHSXEESVSA-N 225.263 2.517 0 50 BFAA CC(C)[C@H]1N(CC2CC2)CC12CCOCC2 334825436 LIFXEVPVYUFNAJ-CYBMUJFWSA-N 223.360 2.533 0 50 BFAA CC(F)(F)CC(=O)N1CC(C(C)(C)C)C1 335100166 LXXBGSMHEBQENL-UHFFFAOYSA-N 219.275 2.536 0 50 BFAA O=C(CC1CCC1)N1C[C@H]2CCC[C@@H](C2)C1 336492177 MWZKJABKVJXHFC-STQMWFEESA-N 221.344 2.825 0 50 BFAA CSc1cccc(-c2ccc(N(C)C)nc2)n1 426510508 WVQAXEUPRQMZOT-UHFFFAOYSA-N 245.351 2.932 0 50 BFAA COC[C@@H]1CCCN(CCc2ccccc2)CC1 449768190 AFGXEQAWOWMBDW-MRXNPFEDSA-N 247.382 2.978 0 50 BFAA CC[C@H](OC)c1ncnn1CCc1ccccc1 822667812 NNAKCRDVBJZWDQ-ZDUSSCGKSA-N 245.326 2.618 0 50 BFAA Nc1nc2ccc(OC(F)(F)F)cc2s1 6481 FTALBRSUTCGOEG-UHFFFAOYSA-N 234.202 2.777 0 50 BFAA biogenic,fda Oc1cc(-c2ccc(Br)cc2)[nH]n1 32601 NIEUMLZXCZNYEF-UHFFFAOYSA-N 239.072 2.545 0 50 BFAA O=C(NCc1ccco1)c1ccc(Cl)s1 35399 DVNXZGFSUGADPP-UHFFFAOYSA-N 241.699 2.925 0 50 BFAA c1ccc(-c2nc(-c3cccnc3)no2)cc1 42403 MUWKXFLEESJMCT-UHFFFAOYSA-N 223.235 2.799 0 50 BFAA CN(C)C(=S)Sc1ccsc1 334480 SBHXHHFCPGGXCY-UHFFFAOYSA-N 203.357 2.687 0 50 BFAA CCCCN(CC)C(=O)c1cccc(OC)c1 2743545 QUODGDYDCWYDGI-UHFFFAOYSA-N 235.327 2.957 0 50 BFAA O=c1cccc(-c2ccc(Cl)cc2)o1 3124524 COJFGMLCKZHERZ-UHFFFAOYSA-N 206.628 2.960 0 50 BFAA CC(C)NC(=O)[C@@H](C)Oc1ccccc1Cl 12382576 PWJCUJUTOKNHBK-SECBINFHSA-N 241.718 2.632 0 50 BFAA CCOc1ccccc1-n1cccc1C(=O)O 12404895 ZTQOPOCPAYMDKU-UHFFFAOYSA-N 231.251 2.574 0 50 BFAA in-vitro Cc1cccc(CNC(=O)Cc2ccccc2)c1 13675839 MPQFJPHYPMFDBS-UHFFFAOYSA-N 239.318 2.854 0 50 BFAA c1cnc(-c2cccc(-c3cc[nH]n3)c2)nc1 20210015 FBNRSSDREJVENN-UHFFFAOYSA-N 222.251 2.534 0 50 BFAA NC(=S)Nc1ccc(F)c(C(F)(F)F)c1 40713050 JPCYQRBIHAGREP-UHFFFAOYSA-N 238.209 2.500 0 50 BFAA CCOC(=O)C(=O)c1ccccc1C(C)C 43209628 JVORTIOMRRBDBW-UHFFFAOYSA-N 220.268 2.556 0 50 BFAA C=C(C)[C@@H]1CCC(CCl)=C1C(=O)OC 45071507 POQVWGLSTNEFES-VIFPVBQESA-N 214.692 2.681 0 50 BFAA CCN(Cc1ccncc1)[C@H]1CCOC(C)(C)C1 97495316 XKOHNAXUJOIQJN-AWEZNQCLSA-N 248.370 2.861 0 50 BFAA O[C@@H]1CSc2cccc(Br)c21 202437221 QFPXQCCCVFBJOT-ZCFIWIBFSA-N 231.114 2.588 0 50 BFAA Cc1cccc([C@H]2C[C@H]3C[C@@H]2CN3)c1C 238507589 GSWOVRFLZJBING-BZPMIXESSA-N 201.313 2.769 0 50 BFAA O=Cc1ccc(Cl)cc1OC(F)F 261506829 BJIQXMVKVMXMQE-UHFFFAOYSA-N 206.575 2.754 0 50 BFAA Fc1ncc(OC(F)F)cc1Br 263623286 GFPGQMURQSVJJY-UHFFFAOYSA-N 241.994 2.585 0 50 BFAA Cc1nc(C)c(CNc2ncc(C)c(C)n2)s1 270767084 KTCPHSUZUIZQMY-UHFFFAOYSA-N 248.355 2.779 0 50 BFAA Cc1cc(C(=O)N[C@H]2CC[C@H](F)C2)c(C)o1 334515026 DANZOXLFZVOYRZ-UWVGGRQHSA-N 225.263 2.517 0 50 BFAA C[C@H]1CC[C@@H](C)CN1C(=O)[C@H]1CCCS1 341951024 UJJYIJHLRJPAHB-OUAUKWLOSA-N 227.373 2.529 0 50 BFAA CCn1c(=S)[nH]c2sc(C)c(C)c2c1=O 371798 XLKJPERNTVDPON-UHFFFAOYSA-N 240.353 2.757 0 50 BFAA CCCn1c(SCCO)nc2ccccc21 2474075 NHDYUULTDHOCKB-UHFFFAOYSA-N 236.340 2.531 0 50 BFAA O=C1CCN(c2cccc(Cl)c2)CC1 2559721 JJYTZAMHBNGTOX-UHFFFAOYSA-N 209.676 2.509 0 50 BFAA in-vitro Cc1ccc(Nc2nnc(S)s2)cc1 3063361 UDHJCFUNVNFOLP-UHFFFAOYSA-N 223.326 2.879 0 50 BFAA in-vitro O=C(O)c1cc(C(F)(F)F)nc2ccccc12 8585277 BHRSRGUVJGTOBA-UHFFFAOYSA-N 241.168 2.952 0 50 BFAA Cc1cc(Nc2ccccc2F)ncn1 11902766 NVNARUJTSWTCDJ-UHFFFAOYSA-N 203.220 2.668 0 50 BFAA C[C@H](NC(=O)c1ccccc1)C(C)(C)C 12381116 QRGINSCDKUDLSV-JTQLQIEISA-N 205.301 2.851 0 50 BFAA Oc1cccc(Br)c1Cl 26896114 DUKKNDLIWRYBCT-UHFFFAOYSA-N 207.454 2.808 0 50 BFAA in-vitro O=C1C=CCCCC[C@]1(O)Cc1ccccc1 43199336 MJEMTPWORMLEJL-HNNXBMFYSA-N 230.307 2.660 0 50 BFAA CCOC(=O)c1c[nH]c2cc(Cl)ccc12 49588591 RZLGWHAWFSRKRB-UHFFFAOYSA-N 223.659 2.998 0 50 BFAA Clc1c(Br)ccc2nccn12 84251244 STOHYIMQKKNYNR-UHFFFAOYSA-N 231.480 2.750 0 50 BFAA in-vitro O=C1Nc2cc(C(F)(F)F)ccc2C12CC2 85483154 CSJYICAUMKEQRH-UHFFFAOYSA-N 227.185 2.689 0 50 BFAA O=C(O)c1cc2sc(Br)cc2[nH]1 115643716 OFYWMXKWLYRDTQ-UHFFFAOYSA-N 246.085 2.690 0 50 BFAA COc1ccc(Cl)c2cnc(Cl)nc12 116728183 GPTRWYGTLGLSTJ-UHFFFAOYSA-N 229.066 2.945 0 50 BFAA Oc1cc(Br)cc(N2CCCC2)c1 118523582 SEYJPXQCXXAPBA-UHFFFAOYSA-N 242.116 2.755 0 50 BFAA CC1CC(Nc2ncnc3ccccc23)C1 128896044 FWHAVXKQCTXKNJ-UHFFFAOYSA-N 213.284 2.840 0 50 BFAA CCOc1ccc(F)c(Br)c1 137053625 QGNZBLWPGNSKII-UHFFFAOYSA-N 219.053 2.987 0 50 BFAA FC(F)(F)c1ccc([C@]2(F)CCNC2)cc1 163334302 YGMYKGYDSIXSJJ-JTQLQIEISA-N 233.208 2.864 0 50 BFAA C[C@@H](NC(=O)C(C)(C)C(F)F)c1nccs1 225397192 ZTSPHUABBDHQJI-ZCFIWIBFSA-N 248.298 2.612 0 50 BFAA CC(=C1CCCC1)c1nc(-c2cnccn2)no1 333742057 IZCPMJZPOAXVRX-UHFFFAOYSA-N 242.282 2.874 0 50 BFAA NCCc1ccc(-c2ccc(C(=O)O)s2)cc1 725261075 KSHOHHATTPDNAL-UHFFFAOYSA-N 247.319 2.615 0 50 BFAA c1csc(-c2cn3c(n2)SCC3)c1 107211 SSOPPFVENQERAP-UHFFFAOYSA-N 208.311 2.717 0 50 BFAA COC(=O)c1ccc(-c2ccc(N)cc2)cc1 168493 KKPVZEJEFMQVSQ-UHFFFAOYSA-N 227.263 2.722 0 50 BFAA in-vitro CCCc1ncc([C@@H](O)c2ccc(C)cc2)n1C 170150 HBXMZDAHOUFAFK-HNNXBMFYSA-N 244.338 2.763 0 50 BFAA CCOC(=O)NC(C)(C)Cc1ccccc1 394198 MZHYGGYUFBUFDV-UHFFFAOYSA-N 221.300 2.754 0 50 BFAA CC(C)(C)c1cc[n+](OCc2ccccc2)cc1 396966 VCZVJOWOEIPMNP-UHFFFAOYSA-N 242.342 2.900 0 50 BFAA O=C(O)c1cc(-c2c[nH]c3ccccc23)on1 409012 LTJHKDMGKKYAIF-UHFFFAOYSA-N 228.207 2.521 0 50 BFAA Cc1ccc(C(=O)NCc2ccc(F)cc2)o1 473667 OVRSLBFXRXVYCK-UHFFFAOYSA-N 233.242 2.657 0 50 BFAA N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 530050 XUKFUDAFEGNTRD-LBPRGKRZSA-N 237.306 2.805 0 50 BFAA CCCCC[C@H](O)[C@H](CO)CCCC 1655724 KBGFEZLHKQYIPE-RYUDHWBXSA-N 202.338 2.726 0 50 BFAA Cc1ccc2c3c1C(=O)C(=O)N3C(C)(C)C[C@@H]2C 2848375 WDCRHFDWGSWJCT-VIFPVBQESA-N 243.306 2.810 0 50 BFAA N=c1sccn1Cc1ccccc1Cl 3885457 PDOXICPXNCFOEM-UHFFFAOYSA-N 224.716 2.731 0 50 BFAA CCCCC(=O)Nc1cccc(C(=O)OC)c1C 6704214 YAMDCDJVUOLNLK-UHFFFAOYSA-N 249.310 2.910 0 50 BFAA C[C@@H](NC(=O)OC(C)(C)C)c1cccc(N)c1 6732178 QZEKBDHFLADZKW-SECBINFHSA-N 236.315 2.855 0 50 BFAA C[C@]12CCCCC1=NN(c1ccccc1)C2=O 71774162 WGUHAEFYDBOPEH-AWEZNQCLSA-N 228.295 2.970 0 50 BFAA CC(C)(C)OC(=O)Nc1c(F)cncc1F 72319660 GNWNEMPHMVGLOJ-UHFFFAOYSA-N 230.214 2.707 0 50 BFAA O=C(O)c1cccc2c(Cl)ccnc12 91692914 QLGATRTYRGPJDU-UHFFFAOYSA-N 207.616 2.586 0 50 BFAA CCOc1cccc(NC(=O)Nc2ccon2)c1 157037077 OLYZQGGZHLMDCU-UHFFFAOYSA-N 247.254 2.717 0 50 BFAA O=C1OCc2ccc(Br)c(Cl)c21 238558384 DUXJROJBIVKCEN-UHFFFAOYSA-N 247.475 2.773 0 50 BFAA Clc1ccsc1CN[C@H]1CCSC1 278307629 CSDYSNSQWMLGLD-ZETCQYMHSA-N 233.789 2.997 0 50 BFAA CCc1csc(NC(=O)[C@@H]2CC2(C)C)n1 337402907 MBYFRMLQBXSTEZ-QMMMGPOBSA-N 224.329 2.690 0 50 BFAA C=CC(=O)N[C@@H](C(F)F)C1CCCCC1 1335325103 ZOSZDASAXQQQNW-SNVBAGLBSA-N 217.259 2.503 0 50 BFAA C=CC(=O)N[C@@H](C)Cc1c[nH]c2ccc(F)cc12 1776003375 LYJGKTRSTBZDTK-VIFPVBQESA-N 246.285 2.540 0 50 BFAA CC1(n2ccnc2-c2ccccc2)CCNCC1 1875245986 VWLZXMZXADKOAI-UHFFFAOYSA-N 241.338 2.649 0 50 BFAA O=C(O)c1ccc(OCc2ccccc2)cc1 169677 AQSCHALQLXXKKC-UHFFFAOYSA-N 228.247 2.964 0 50 BFAA in-vitro C[C@@H](NC1CCCCC1)[C@H](O)c1ccc(O)cc1 389084 RVCFDYFCYVBHKW-ABAIWWIYSA-N 249.354 2.736 0 50 BFAA COc1ccc(C(=O)C(C)C)c(OC)c1 34766041 MVENPJDBCYLCIX-UHFFFAOYSA-N 208.257 2.543 0 50 BFAA Cc1nn(-c2ccccc2)cc1-c1cc[nH]n1 67614252 XCGTXBLJTOMHFB-UHFFFAOYSA-N 224.267 2.571 0 50 BFAA O=C1N[C@H](Nc2ccccc2)c2ccccc21 71773043 UYGDTEOUPXULAQ-ZDUSSCGKSA-N 224.263 2.541 0 50 BFAA CCCCn1c[n+](COCC)c2ccccc21 137460414 KQAZLXSFBVFHTP-UHFFFAOYSA-N 233.335 2.723 0 50 BFAA COc1ccc(OCCCF)cc1C(C)=O 170593388 YLQIUUGJMNYRFR-UHFFFAOYSA-N 226.247 2.636 0 50 BFAA Cc1ncccc1-c1nc(-c2ccccn2)no1 175920290 LJQWQABHJOXREZ-UHFFFAOYSA-N 238.250 2.502 0 50 BFAA Cc1ccccc1[C@@H]1C[C@H](C)N(CCC(=O)O)C1 237545506 PPCNVSVVZCRYBX-QWHCGFSZSA-N 247.338 2.648 0 50 BFAA O=C(Nc1ccc2nc[nH]c2c1)[C@@H]1C[C@H]1C1CC1 333065600 TYFCDTLZYYBMEV-WDEREUQCSA-N 241.294 2.548 0 50 BFAA O=C(c1cccc2c1CCC2)N1CCC12CCC2 335851877 DOQDXWOPXMKUMH-UHFFFAOYSA-N 241.334 2.944 0 50 BFAA CCCN1C[C@H](C)C[C@H]1c1cccnc1 336536207 JOICXYRGSPNYBK-YPMHNXCESA-N 204.317 2.875 0 50 BFAA CC(C)n1ccc(C(=O)N[C@H]2C[C@@]2(C)C(C)C)n1 408520034 PGHXUNMZTUIGFX-JSGCOSHPSA-N 249.358 2.628 0 50 BFAA Fc1cncc(F)c1CNCc1ccccc1 685946991 YQSJOCDJXVXVRP-UHFFFAOYSA-N 234.249 2.650 0 50 BFAA CN(C[C@@H]1CC=CCC1)c1cccc(C(N)=O)c1 1875347784 SKPCTPLNMOWSTF-GFCCVEGCSA-N 244.338 2.578 0 50 BFAA O[C@H]1CCN(Cc2cccc(Cl)c2Cl)C1 213040 VMZADYKTSRZBMS-VIFPVBQESA-N 246.137 2.560 0 50 BFAA c1ccc2c(CN3CCCC3)c[nH]c2c1 347710 ZIIMZMSKBKAABD-UHFFFAOYSA-N 200.285 2.764 0 50 BFAA O=C(O)c1cc(Cl)c2ccccc2n1 1722733 XDHVXNYIJMSNIQ-UHFFFAOYSA-N 207.616 2.586 0 50 BFAA in-vitro O=Cc1cccc(-c2ccc(C(=O)O)cc2)c1 2525620 ZIJAWDBNCZHVRY-UHFFFAOYSA-N 226.231 2.864 0 50 BFAA in-vitro Oc1nsc(SCc2ccccc2)n1 2569839 GTLZSTJXXWVOJT-UHFFFAOYSA-N 224.310 2.536 0 50 BFAA Cc1ccc(NC2=NCCSC2)cc1 3953792 CSMRBCQRWRGIHI-UHFFFAOYSA-N 206.314 2.552 0 50 BFAA CCOC(=O)/C=C/[C@@H]1C[C@@H]1c1ccccc1 4020193 PEEFCGIMKBGSEH-RYYBZQDPSA-N 216.280 2.909 0 50 BFAA Cc1nc(-c2ccc(CO)cc2)cs1 4277377 RJHSPNFHEAFWDW-UHFFFAOYSA-N 205.282 2.611 0 50 BFAA in-vitro CC(C)CCn1cc(Br)cn1 38074757 PSQJFVJRFQJOBI-UHFFFAOYSA-N 217.110 2.692 0 50 BFAA Brc1ccccc1C1CCNCC1 60165088 HHHAYRLLVYOFNI-UHFFFAOYSA-N 240.144 2.916 0 50 BFAA in-vitro CCCc1nccn1-c1cccc([C@H](C)O)c1 65408742 PZRTYRIZVARIIN-NSHDSACASA-N 230.311 2.878 0 50 BFAA Fc1cc([C@H]2CO2)ccc1Br 132512088 FNKONCIASNDEKU-MRVPVSSYSA-N 217.037 2.660 0 50 BFAA O=C(c1ccccc1)C1CCN(CC2CC2)CC1 155423848 FPPZAZGZIAFHMP-UHFFFAOYSA-N 243.350 2.991 0 50 BFAA COc1cc(Cl)cc2[nH]c(C(=O)O)cc12 211628691 XWTMCWOYEZEPKU-UHFFFAOYSA-N 225.631 2.528 0 50 BFAA O[C@@H]1c2ccccc2[C@@H]2[C@H](O)c3ccccc3[C@H]12 247778734 ZHODMXFAYOBKEZ-CAOSSQGBSA-N 238.286 2.648 0 50 BFAA c1ccc(Cc2ncoc2-c2cn[nH]c2)cc1 2356148510 BUKSHXVGRWSKDD-UHFFFAOYSA-N 225.251 2.656 0 50 BFAA CC(=O)c1sc2nc3c(cc2c1N)CCC3 87930 QDTCBHNNRLSYJX-UHFFFAOYSA-N 232.308 2.570 0 50 BFAA O=c1c(N2CCCCC2)coc2ccccc12 198822 JKPBBAWTUKRUGO-UHFFFAOYSA-N 229.279 2.783 0 50 BFAA COc1cccc(CNCc2ccccc2)c1 250782 XCAYUNJSPOEITF-UHFFFAOYSA-N 227.307 2.985 0 50 BFAA CCC[C@H]1C[C@H](c2csc(N)n2)CCO1 330305 SIINGJBLYGBGDL-BDAKNGLRSA-N 226.345 2.788 0 50 BFAA Cc1ccn(C(=O)c2ccc(Cl)cc2)n1 359013 CAZZADNNWBSLNH-UHFFFAOYSA-N 220.659 2.533 0 50 BFAA Cc1ccc(C(=O)N2CCCC2)c(Cl)c1 458001 FXRPFHGLDOTMQR-UHFFFAOYSA-N 223.703 2.884 0 50 BFAA CCC(CC)C(=O)NCCc1ccc(F)cc1 465164 KTQWIEXYUPUFHA-UHFFFAOYSA-N 237.318 2.921 0 50 BFAA biogenic c1ccc2cc(-c3ccnc4ncnn34)ccc2c1 479986 HYMZYJKQNNNIIT-UHFFFAOYSA-N 246.273 2.945 0 50 BFAA C[C@@H](NC(=O)c1ccccc1O)c1ccccc1 859918 XCKFSPDEIVZBOH-LLVKDONJSA-N 241.290 2.883 0 50 BFAA CCCCC(=O)NCc1ccc(OC)cc1 2774521 RBTLWMKJLGFVHU-UHFFFAOYSA-N 221.300 2.502 0 50 BFAA CO[C@H](c1ccccc1)n1nnc2ccccc21 5356594 RVUCCEWTOJWLNG-CQSZACIVSA-N 239.278 2.625 0 50 BFAA O=C(O)c1ccc(Cl)c(OC(F)(F)F)c1 12359304 GTBBHPFHWDVWMS-UHFFFAOYSA-N 240.564 2.937 0 50 BFAA CCC(=O)Nc1cc(C)nc2c(OC)cccc12 16625549 CINVRNMCUPEIDU-UHFFFAOYSA-N 244.294 2.900 0 50 BFAA Clc1cncc(NCc2ccccc2)n1 20358070 HPWNUTJQNSNNAA-UHFFFAOYSA-N 219.675 2.742 0 50 BFAA NNc1ccc(SC(F)(F)F)cc1 21298186 HSKMWRFWZVOVOU-UHFFFAOYSA-N 208.208 2.584 0 50 BFAA in-vitro Cc1ccc2nc(S)c(=S)[nH]c2c1 33650436 YTKGLURLTLIZJG-UHFFFAOYSA-N 208.311 2.890 0 50 BFAA in-vitro Cc1nc([C@H](C)NC2CCOCC2)c(C)s1 36308522 XLGYHSKAQRSBEY-QMMMGPOBSA-N 240.372 2.590 0 50 BFAA N[C@@H](c1ccccc1)c1nc2ccccc2[nH]1 53513235 XNHQMCNLONGDFY-ZDUSSCGKSA-N 223.279 2.611 0 50 BFAA O=Cc1cc(F)c(Br)c(F)c1 67802607 OJWOCKKFJDJGFP-UHFFFAOYSA-N 221.000 2.540 0 50 BFAA in-vitro Clc1ccc(NC[C@@H]2CCC=CO2)nc1 186701080 YAKHZSLLVGQNQT-JTQLQIEISA-N 224.691 2.840 0 50 BFAA CC(C)(C)OC(=O)Nc1ocnc1C1CC1 225503941 HHQJCMNOHICGGA-UHFFFAOYSA-N 224.260 2.899 0 50 BFAA in-vitro C[C@@H](CC1CCOCC1)Nc1cccc(CO)c1 225602073 OPZIJSDVSMKWFN-LBPRGKRZSA-N 249.354 2.796 0 50 BFAA O=C(O)c1nc2cc(F)ccc2n1C1CCC1 255189484 QDJUUYHTHBXZLY-UHFFFAOYSA-N 234.230 2.599 0 50 BFAA C[C@@H]1C[C@@H](C)[C@@H](c2nc(-c3ccoc3)no2)O1 289157883 UHHALKIMTCRBLP-MRTMQBJTSA-N 234.255 2.816 0 50 BFAA O=C(C1=CCCCC1)N1CC(CC(F)F)C1 335500681 FDEYEVAQTQILTG-UHFFFAOYSA-N 229.270 2.600 0 50 BFAA CCCCn1nc(C)cc1NC(=O)C(C)(C)C 1529191337 WXNIPCBJLXJSGR-UHFFFAOYSA-N 237.347 2.976 0 50 BFAA c1cn([C@@H]2CCSC2)c(-c2cnsc2)n1 1875248137 YYYIKINQDOYYSZ-SECBINFHSA-N 237.353 2.685 0 50 BFAA COc1oc(-c2ccccc2)cc1C=O 248889 PFRTYFPQERHEOC-UHFFFAOYSA-N 202.209 2.768 0 50 BFAA CCOc1cc(C)nc(-c2ccccc2O)n1 300026 QVZQYJUIBVNIAU-UHFFFAOYSA-N 230.267 2.556 0 50 BFAA O=C(O)[C@@H](O)c1cccc(Oc2ccccc2)c1 2511048 FPUCYPXKIFVDSD-ZDUSSCGKSA-N 244.246 2.597 0 50 BFAA CC(=O)Nc1cc(C)nc2ccccc12 3136077 WOTSJKNNHBHBLP-UHFFFAOYSA-N 200.241 2.502 0 50 BFAA biogenic O=C(O)c1ccc(Cn2ccc3ccccc32)o1 4412068 KXUPBSSWCTZYAC-UHFFFAOYSA-N 241.246 2.981 0 50 BFAA in-vitro Cn1cccc1CNCc1ccccc1Cl 4657551 MRFXRKYIUWPGRC-UHFFFAOYSA-N 234.730 2.968 0 50 BFAA CCNCCOc1ccc(C)cc1Cl 6703360 JUSPGKBOOCIPSV-UHFFFAOYSA-N 213.708 2.637 0 50 BFAA CC[C@H](C)N(C(=O)[C@@H]1CCCO1)[C@H](C)CC 13892983 NUNUDSKUPNYYGR-TUAOUCFPSA-N 227.348 2.591 0 50 BFAA CC(C)Cc1ccc(CCC(=O)O)cc1 16698049 DYNVRFFVBZVRND-UHFFFAOYSA-N 206.285 2.902 0 50 BFAA in-vitro C[C@H]1CN([C@H]2CCc3ccccc3C2)C[C@@H](C)O1 23283515 UEVJCXSVUOEYMD-ZENOOKHLSA-N 245.366 2.653 0 50 BFAA Cc1nn(C(C)(C)C)cc1Br 38537820 SVLSAPNQDGCJAL-UHFFFAOYSA-N 217.110 2.709 0 50 BFAA in-vitro CCn1cc2cc(Br)ccc2n1 39102570 HQGWVFUIGSFDSL-UHFFFAOYSA-N 225.089 2.819 0 50 BFAA in-vitro O=C(O)/C1=C(\C(=O)O)CCCCCCCCC1 45070989 FKHATRCAUQNRCE-KHPPLWFESA-N 240.299 2.977 0 50 BFAA O=C(O)c1ccc(-c2cccc(O)c2)cc1F 65340066 CWQSLVSWYGCFOO-UHFFFAOYSA-N 232.210 2.897 0 50 BFAA in-vitro CC(C)C(=O)C(C)(C)C(=O)Nc1ccccc1 71773918 BUDQGYZSQRSBAR-UHFFFAOYSA-N 233.311 2.876 0 50 BFAA CCOC(=O)NCCCNC(CC)(CC)CC 96027343 XRAGBHKLVCNCKO-UHFFFAOYSA-N 244.379 2.681 0 50 BFAA CCCOc1ccc(CNC(=O)C2CC2)c(C)c1 170608514 SGPZCCHQYXDHHB-UHFFFAOYSA-N 247.338 2.810 0 50 BFAA CC(F)(F)c1cncc(Br)c1 204732450 WHDYQJPECGZSLP-UHFFFAOYSA-N 222.032 2.956 0 50 BFAA O=C(O)C1(COc2ccc(Cl)cc2)CC1 216237495 FFQJTZHMVYQUBW-UHFFFAOYSA-N 226.659 2.584 0 50 BFAA Oc1cnc2cccc(C(F)(F)F)c2c1 238692839 HVUFZBLIQZGYRZ-UHFFFAOYSA-N 213.158 2.959 0 50 BFAA CCCOc1nc(C)c(C(=O)OC)cc1Cl 242302344 YROIRPXMUUNBIJ-UHFFFAOYSA-N 243.690 2.619 0 50 BFAA COc1cccc2c1[C@H]1[C@H]3[C@@H]2[C@H]2C=C[C@H]2[C@@H]13 248264319 YCSMNJDXPUOOSB-RGPOTRPASA-N 210.276 2.938 0 50 BFAA CN(C/C=C/c1ccncc1)Cc1ccccn1 252495862 PDCDGLOXCJAHTN-SNAWJCMRSA-N 239.322 2.622 0 50 BFAA CCNc1ccc(Br)c(C)c1N 307235865 DNTRRMGXQMUXIZ-UHFFFAOYSA-N 229.121 2.772 0 50 BFAA c1cc(OCC[C@H]2CCCO2)c2oncc2c1 408518380 DZWYUWAJFVEVFV-LLVKDONJSA-N 233.267 2.776 0 50 BFAA CC[C@@H]1C[C@H]1Nc1ncnc2ccc(F)cc12 435673541 NQZWEEPPKKOVKW-PRHODGIISA-N 231.274 2.979 0 50 BFAA C=CC(=O)NCc1ccc(OC(C)(C)C)cc1 1346082127 RMJFMXBPLOBCDV-UHFFFAOYSA-N 233.311 2.666 0 50 BFAA O=C(/C=C/c1ccccc1)N[C@@H]1C=CCC1 1461403614 CHQCCELRTCPXSP-OCHBPSSRSA-N 213.280 2.535 0 50 BFAA CCc1nn2c(C)c(C)c(C)nc2c1C 87528 JNKMYDXGDXAMJD-UHFFFAOYSA-N 203.289 2.525 0 50 BFAA O=C(COc1ccc(F)cc1)Oc1ccccc1 458912 HQCXBABQKYZWSH-UHFFFAOYSA-N 246.237 2.810 0 50 BFAA N[C@@H](C(=O)O)c1cccc(Oc2ccccc2)c1 3676808 PTDUZBVRDQXJJC-CYBMUJFWSA-N 243.262 2.563 0 50 BFAA in-vitro CCC1=C(C)C(=O)N/C1=C/c1ccccc1 4828075 NZOCPNIQLIFXQQ-UKTHLTGXSA-N 213.280 2.884 0 50 BFAA COC(=O)[C@@H](NC1CCCCC1)c1ccccc1 6126184 GIERMKQJVHUGLN-AWEZNQCLSA-N 247.338 2.823 0 50 BFAA Cc1cccc(CC(=O)n2nc(C)cc2C)c1 6726011 VFFDTGMQNVIRMM-UHFFFAOYSA-N 228.295 2.691 0 50 BFAA CCOc1c(CNC(C)C)cccc1OC 10436071 MQUNCWOVTISCRF-UHFFFAOYSA-N 223.316 2.592 0 50 BFAA c1cnc(N[C@@H]2CCCc3ccccc32)nc1 22034760 LUZUFAVGXCCLLD-CYBMUJFWSA-N 225.295 2.966 0 50 BFAA O=C(NCc1ccccc1)c1cc(Cl)ccn1 22560885 XNKYZWCVSFIEPN-UHFFFAOYSA-N 246.697 2.665 0 50 BFAA in-vitro Cc1[nH]c2ccccc2c1CNC(C)C 22863559 BVBTUFQLGFSFCM-UHFFFAOYSA-N 202.301 2.974 0 50 BFAA FC(F)(F)c1ccc2c(c1)[C@H]1CNC[C@@H]2C1 28526241 RNOBTWYQAWEZHH-JGVFFNPUSA-N 227.229 2.880 0 50 BFAA investigational COc1cccc2ccc(-c3cncnc3)nc12 32565505 UBPFALRBLYTYIB-UHFFFAOYSA-N 237.262 2.700 0 50 BFAA O=C(O)c1ccc2c(Cl)ccnc2c1 32914908 VMGVGPMZWPOPJP-UHFFFAOYSA-N 207.616 2.586 0 50 BFAA in-vitro Cc1ccccc1C(=O)[C@H](C)N1CCCC1 95705014 ITKKRQLIQITCHA-LBPRGKRZSA-N 217.312 2.662 0 50 BFAA in-vitro O=C1[C@H]2C[C@H]3C[C@@H]1C[C@](Br)(C3)C2 100261678 TXEWIOREYPSNRR-XYYXLIQBSA-N 229.117 2.529 0 50 BFAA C[C@H]1C[C@@H](c2ccccc2)CN1CCCC(=O)O 116402602 ONVKAZCNWPJCEK-GXTWGEPZSA-N 247.338 2.729 0 50 BFAA CC1(CC(=O)Nc2cc[nH]n2)CCCCC1 121692591 KOPBPMILCURJAM-UHFFFAOYSA-N 221.304 2.709 0 50 BFAA Cc1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@H](CCCO)N2 201858637 SDLWMEYMPKDXIK-OSAQELSMSA-N 247.338 2.639 0 50 BFAA O=C(O)C[C@@H](c1ccc(F)cc1)C(F)F 258964014 UAIYRNHAPYOWAJ-QMMMGPOBSA-N 218.174 2.649 0 50 BFAA Cc1cccc(NCc2ncccn2)c1F 300866098 OUHDALUXRNTKCK-UHFFFAOYSA-N 217.247 2.536 0 50 BFAA CC(C)(CF)NC(=O)Nc1ccsc1 335498980 BZFUIGGZMBFGGE-UHFFFAOYSA-N 216.281 2.618 0 50 BFAA CCCN1C[C@@H](C)C[C@H]1c1cccnc1 336536204 JOICXYRGSPNYBK-AAEUAGOBSA-N 204.317 2.875 0 50 BFAA C=CC(=O)Nc1cc(C)nn1[C@H]1C[C@H]2CC[C@H]1C2 863971002 AMBNQJRFISNJGS-SRVKXCTJSA-N 245.326 2.677 0 50 BFAA C[C@H](N[C@H]1CCCC1(F)F)c1ccnc(O)c1 926430410 WIGYTHYNYCCPTH-WPRPVWTQSA-N 242.269 2.626 0 50 BFAA CC[C@@H](C)C[C@@H](C)Nc1nc(C)cc(O)n1 1614456591 MBDRENWNANXXOI-RKDXNWHRSA-N 223.320 2.727 0 50 BFAA Fc1ccc(-c2nnsc2Cl)cc1 168601 FCNANLLBSCATLF-UHFFFAOYSA-N 214.652 2.998 0 50 BFAA Cc1ccsc1S(=O)(=O)c1ccccc1 186497 MLHNQBLBXRULMN-UHFFFAOYSA-N 238.333 2.889 0 50 BFAA CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 201204 DXLUUMMINGDWEA-UHFFFAOYSA-N 243.188 2.540 0 50 BFAA Cc1ccc(O)c(CCc2ccccc2)n1 251343 XQUQTPFCPUQDGI-UHFFFAOYSA-N 213.280 2.881 0 50 BFAA CC(=O)c1ccc(NC=O)c2ccccc12 332314 CCKAZPGKNBKDNX-UHFFFAOYSA-N 213.236 2.611 0 50 BFAA C[C@H](CCc1ccccc1)NC(=O)C1CCC1 355196 BYTBXSLNEMXMLG-GFCCVEGCSA-N 231.339 2.924 0 50 BFAA Oc1cc(Cl)ccc1Br 2512340 FMRKYXVZQWHGDA-UHFFFAOYSA-N 207.454 2.808 0 50 BFAA in-vitro O=C(NCc1ccco1)[C@H]1C[C@@H]1c1ccccc1 2747346 YMFYOUIQBHWTQR-KGLIPLIRSA-N 241.290 2.700 0 50 BFAA CCCCNC(=O)N1[C@@H](C)CCC[C@@H]1C 2772250 MHRXYYPTQNFXTH-QWRGUYRKSA-N 212.337 2.759 0 50 BFAA Cc1cc(C)cc(OCCCCn2cncn2)c1 2844265 AZBPIUIVISPLQZ-UHFFFAOYSA-N 245.326 2.754 0 50 BFAA COc1ccccc1C(=O)N(C)c1ccccc1 10285126 FVWCQHOIQFNYMV-UHFFFAOYSA-N 241.290 2.972 0 50 BFAA Fc1ccc(OC[C@H]2CCCN2)cc1Cl 12137826 GXDDERQGCARERK-MRVPVSSYSA-N 229.682 2.610 0 50 BFAA CCc1c(C(=O)N2CCCC2)csc1C 16605338 CMUDKAMOMGAZQL-UHFFFAOYSA-N 223.341 2.855 0 50 BFAA CN(C)CCNC1CCC(C(C)(C)C)CC1 21956000 PDWUJFVMOFGGQA-UHFFFAOYSA-N 226.408 2.743 0 50 BFAA CC(C)(C)OC(=O)N1CCC(CF)CC1 34452723 JPONZPZEVAZHJW-UHFFFAOYSA-N 217.284 2.603 0 50 BFAA in-vitro CCCCNC(=O)CCc1ccccc1F 45326572 QTDKVHYVSNTICA-UHFFFAOYSA-N 223.291 2.675 0 50 BFAA CCc1ccc(CC(=O)N[C@@H](C)CC)cc1 71384618 JJVUQCWNXYMDQE-NSHDSACASA-N 219.328 2.706 0 50 BFAA C=CC(=O)O[C@@H]1C[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1 242687326 UFMAVTXURXGNCN-KNZXXDILSA-N 206.285 2.540 0 50 BFAA C[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1ccon1 247566688 RIDCMWWEBZUAEV-NTZNESFSSA-N 220.316 2.828 0 50 BFAA Oc1ccc(F)c([C@@H](O)c2cccc(F)c2)c1 261493752 IOYPEJWEABBJCA-ZDUSSCGKSA-N 236.217 2.752 0 50 BFAA Cc1cccnc1NC(=O)C(C)(C)C(F)F 336058738 ZIEJXDPPIIWJCM-UHFFFAOYSA-N 228.242 2.620 0 50 BFAA CCCc1cnc(C)nc1-c1cccnc1OC 426712813 UTKMKDFBQWWVLB-UHFFFAOYSA-N 243.310 2.808 0 50 BFAA C=CC(=O)N[C@H](C)c1ccc(OC(F)F)cc1 1346081643 HECZQKORDBWWQX-MRVPVSSYSA-N 241.237 2.651 0 50 BFAA CCCCCCn1cc(C(C)(C)NCC)nn1 1875304171 CBMMTAZSVNCVQD-UHFFFAOYSA-N 238.379 2.703 0 50 BFAA CCOC(=O)c1nsc(Cl)c1Cl 27756 HQMXSUYUKRJYCL-UHFFFAOYSA-N 226.084 2.627 0 50 BFAA COc1ccc2nc(C)c3c(c2c1)O[C@H](C)C3 53284 IGBLKXMOCQGDCA-MRVPVSSYSA-N 229.279 2.875 0 50 BFAA biogenic CC(C)[C@H](C)OC(=O)c1ccccc1C(=O)O 399619 AJRMLQSJNSDUHW-VIFPVBQESA-N 236.267 2.586 0 50 BFAA COC(=O)Nc1ccc(C)cc1Br 474214 DIMRCPQVSZQRSC-UHFFFAOYSA-N 244.088 2.936 0 50 BFAA Cc1cc(C)cc(C(=O)NCc2cccnc2)c1 512870 KGGOBVPLAQWHHP-UHFFFAOYSA-N 240.306 2.628 0 50 BFAA Nc1ccccc1-c1ccc(C(=O)O)cc1 2522308 WHEDDMZOIILSJP-UHFFFAOYSA-N 213.236 2.634 0 50 BFAA in-vitro CCOC(=O)c1c[nH]c(-c2ccccc2)c1 2527309 XGAUDZLAAYUFKN-UHFFFAOYSA-N 215.252 2.858 0 50 BFAA in-vitro Nc1nsc2ccc(Br)cc12 3818470 NTLSBZHEUNMUAP-UHFFFAOYSA-N 229.102 2.641 0 50 BFAA in-vitro CC1(C)[C@@H](C(=O)O)[C@@H]1C=C(Cl)Cl 4771409 LLMLSUSAKZVFOA-UJURSFKZSA-N 209.072 2.662 0 50 BFAA in-vitro O=C(O)CCSc1ccc2ccccc2n1 6146180 QKYKAHGSVSTGFP-UHFFFAOYSA-N 233.292 2.802 0 50 BFAA CCNCc1ccc(C(F)(F)F)cc1 6385339 HVEKJUAYPMGFDD-UHFFFAOYSA-N 203.207 2.815 0 50 BFAA in-vitro CC[C@@H](C)NC(=O)[C@H](C)Oc1ccccc1C 6596330 QWDQTEBIJCAEFC-NEPJUHHUSA-N 235.327 2.677 0 50 BFAA Cc1cc2n(n1)S[C@H](Nc1ccccc1)N2 13132461 GRUDNJWCIFKAFB-LLVKDONJSA-N 232.312 2.509 0 50 BFAA O=c1[nH]nc(-c2cccs2)c2ccccc12 13597973 WFVUDUWXXLCTTM-UHFFFAOYSA-N 228.276 2.652 0 50 BFAA in-vitro COc1cc(Cl)cc(C(C)=O)c1OC 16697491 QTLSOFLLVYVKAD-UHFFFAOYSA-N 214.648 2.560 0 50 BFAA in-vitro CCCNCc1ccccc1Br 19502293 KSMWUBSJLNWWPD-UHFFFAOYSA-N 228.133 2.949 0 50 BFAA in-vitro c1cncc(CN[C@H]2CCc3ccccc3C2)c1 23283119 CFCWSEPJYQLPOV-INIZCTEOSA-N 238.334 2.729 0 50 BFAA FC(F)(F)c1ccc(C2CCNCC2)nc1 95761534 BVCZQTSASACGNI-UHFFFAOYSA-N 230.233 2.567 0 50 BFAA O=C(N[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1F 101472852 WJSFUWIGJYCFAX-KWBADKCTSA-N 233.286 2.744 0 50 BFAA FC(F)(F)Oc1ccccc1[C@]1(F)CCNC1 126755354 ZBFGDECGPFXOQX-JTQLQIEISA-N 249.207 2.743 0 50 BFAA CC[C@H](NCCn1ccnc1)c1ccccc1F 163457695 WZKAZUDBJZYDMW-AWEZNQCLSA-N 247.317 2.763 0 50 BFAA FC(F)(F)c1ccncc1N1CCSC1 169725747 HHMMCQYHNFZWAA-UHFFFAOYSA-N 234.246 2.611 0 50 BFAA O=C(Nc1n[nH]c2cc(F)ccc12)c1ccoc1 225613491 LMOZSGZCFLXYKS-UHFFFAOYSA-N 245.213 2.547 0 50 BFAA Clc1c(Br)ccn2nccc12 238559518 WIXLWTSIJGQDLJ-UHFFFAOYSA-N 231.480 2.750 0 50 BFAA O=C(O)[C@@H]1[C@H]2CC[C@@H]3[C@@H](CC[C@H]21)C3(Cl)Cl 242547723 KTMXBVDXHDBMDV-WUNNTHRKSA-N 249.137 2.927 0 50 BFAA in-vitro CCc1ccccc1Cn1ccnc1C 275420457 HMZPOFPLLMRVPX-UHFFFAOYSA-N 200.285 2.802 0 50 BFAA CC[C@H](C)n1cc(-c2cccc(C(N)=O)c2)cn1 904895078 MNUHUNHXHPMLHQ-JTQLQIEISA-N 243.310 2.620 0 50 BFAA C[C@H](O)CC(C)(C)CN[C@@H](C)c1ccsn1 1775989801 BAYASTNCOAIEQC-UWVGGRQHSA-N 242.388 2.591 0 50 BFAA COc1cc(C=O)ccc1OCC(C)C 35840 AIAGRBSXKXJZFB-UHFFFAOYSA-N 208.257 2.543 0 50 BFAA in-vitro Brc1cnc2ccccc2c1 66081 ZGIKWINFUGEQEO-UHFFFAOYSA-N 208.058 2.997 0 50 BFAA in-vitro CCN(CC)CCSc1nc2ccccc2[nH]1 182696 WVJJDNQWZCDSAS-UHFFFAOYSA-N 249.383 2.997 0 50 BFAA CCC(=O)N[C@H](C)c1nc2ccccc2n1CC 200727 XXRBPLRBMARQAS-SNVBAGLBSA-N 245.326 2.643 0 50 BFAA O=C(O)c1nc(Cl)c(Cl)cc1Cl 507143 TVMKSGXYTVKNRK-UHFFFAOYSA-N 226.446 2.740 0 50 BFAA in-vitro NC(=O)c1cc(C(F)(F)F)cc(Cl)c1F 2382038 ITROXMKOCKYPDM-UHFFFAOYSA-N 241.571 2.597 0 50 BFAA in-vitro CCCCc1c(O)[nH]c2ccc(OC)cc2c1=O 2499440 ZKCMBGVQTRZPOP-UHFFFAOYSA-N 247.294 2.585 0 50 BFAA O=C(O)Cc1cc(F)c(C(F)(F)F)c(F)c1 2540284 HLKJLXFZELUXCY-UHFFFAOYSA-N 240.127 2.611 0 50 BFAA CCOc1ccc(OCCCN2CCCC2)cc1 3003146 QHGNGBFJHCVGAE-UHFFFAOYSA-N 249.354 2.950 0 50 BFAA Cc1cc(C)c(C[C@H]2CCCN2)cc1C 4234795 DQQGOSZXSJFDOS-CQSZACIVSA-N 203.329 2.906 0 50 BFAA in-vitro Cc1cccc([C@@H](CC(=O)O)n2cccc2)c1 5751888 WPEWHTJKEWLCPG-CYBMUJFWSA-N 229.279 2.861 0 50 BFAA C[C@@H](N)c1ccc(OC(F)(F)F)cc1 8698321 VTLIABOHZPSHRN-ZCFIWIBFSA-N 205.179 2.605 0 50 BFAA in-vitro O=Cc1cccc(OC(=O)Cc2cccs2)c1 31975848 HJOLWPJOWLFOLO-UHFFFAOYSA-N 246.287 2.709 0 50 BFAA CCOC(=O)c1cccc(F)c1Br 47202644 JCKZDYSLKOUKTG-UHFFFAOYSA-N 247.063 2.765 0 50 BFAA in-vitro CCc1ccc(-c2cc(C)nc(N)n2)cc1 52837877 JVBPLOVYZXRPRB-UHFFFAOYSA-N 213.284 2.597 0 50 BFAA CC(C)CCNC(=O)CCc1ccc(F)cc1 60878359 ICWVOLCNPHCDCG-UHFFFAOYSA-N 237.318 2.921 0 50 BFAA O=C1CCc2ccc(F)c(Br)c21 84192975 PVWJFHDXZQXBRZ-UHFFFAOYSA-N 229.048 2.717 0 50 BFAA in-vitro O=C(O)c1cc(F)cc(-c2ncccc2F)c1 85477020 XBHWTAHYZCUNLY-UHFFFAOYSA-N 235.189 2.725 0 50 BFAA in-vitro Cc1ccc(CC(=O)OC[C@@H]2CC=CCC2)cn1 127683950 HXGYHMJQBHOMMN-CYBMUJFWSA-N 245.322 2.832 0 50 BFAA C[C@H]1COc2ccccc2N1Cc1nccs1 135203367 PHTJAHZPHBBQNC-JTQLQIEISA-N 246.335 2.931 0 50 BFAA CC1=CCC[C@H](C)[C@H]1CNC[C@H]1CCCO1 245853229 GRUXOBZAZYLTME-MJBXVCDLSA-N 223.360 2.747 0 50 BFAA COc1cncc(CN(CC(C)C)C2CC2)c1 253427182 WXZUFVRFFXSJKS-UHFFFAOYSA-N 234.343 2.711 0 50 BFAA C[C@@H]1[C@H](c2ccccc2)CCN1c1cnccn1 267574418 XWKLFHKWBAZNMJ-TZMCWYRMSA-N 239.322 2.859 0 50 BFAA O=C(O)c1cc(C(F)(F)F)c2ncccc2c1 669370949 CCXWCDUDVJAFKP-UHFFFAOYSA-N 241.168 2.952 0 50 BFAA Cc1nc(CCc2cccnc2)n(C(C)(C)C)n1 670466083 NKPVOORNJRKLES-UHFFFAOYSA-N 244.342 2.522 0 50 BFAA CC1(C)C(CNC(=O)C[C@H]2CC2(F)F)C1(C)C 827801774 FQCJNPHLCTZLBU-QMMMGPOBSA-N 245.313 2.830 0 50 BFAA O=C(CCC1CC1)N1CCCCc2cccnc21 872294976 JJPREUUQYKFHHI-UHFFFAOYSA-N 244.338 2.941 0 50 BFAA O=C(O)CCN1CCC(=Cc2ccccc2)CC1 1776002561 STRMKMHHSFWLRK-UHFFFAOYSA-N 245.322 2.641 0 50 BFAA Cc1ccc(F)c(-c2cnc3cnccn23)c1 2100556227 JEQZBULBFKRRRO-UHFFFAOYSA-N 227.242 2.844 0 50 BFAA Cc1ccc(C(=O)Nc2ccccc2C(=O)O)o1 446208 JWHIXBPRNNMOHQ-UHFFFAOYSA-N 245.234 2.539 0 50 BFAA NC(=S)Cc1nc(-c2ccccc2)cs1 4126338 SSYYFONFBSKVFR-UHFFFAOYSA-N 234.349 2.639 0 50 BFAA O[C@@H](c1ccccc1)c1cccc(F)c1 4255867 ILYUNJUNPZKDOD-ZDUSSCGKSA-N 202.228 2.907 0 50 BFAA CCCc1cc(O)c2c(C)cc(=O)oc2c1 5686270 UDMRRUFQIPTYHI-UHFFFAOYSA-N 218.252 2.760 0 50 BFAA biogenic CC(C)Cn1c(CCCO)nc2ccccc21 12382417 BMXGJPJVPRUCDE-UHFFFAOYSA-N 232.327 2.617 0 50 BFAA CC(C)NC(=O)[C@H](C)Oc1ccccc1Cl 12382577 PWJCUJUTOKNHBK-VIFPVBQESA-N 241.718 2.632 0 50 BFAA CCO/C(C)=C1\C(=O)N(CC)c2ccccc21 12730082 VKVADPZCTOTQSQ-RAXLEYEMSA-N 231.295 2.821 0 50 BFAA c1coc(CN[C@H]2CCc3ccccc3C2)c1 23283423 JHCLZGWUKFWULK-AWEZNQCLSA-N 227.307 2.927 0 50 BFAA COc1c(C)cc(C[C@H]2CCCCN2)cc1C 32099159 BXCSCSJHYFFWMR-CQSZACIVSA-N 233.355 2.997 0 50 BFAA in-vitro O=C(CCC/C=C/CO)c1ccccc1 34502347 JZZMSZRGIRIFBY-FARCUNLSSA-N 204.269 2.588 0 50 BFAA FC(F)(F)[C@@H]1CCC[C@H](C(F)(F)F)N1 79387514 APPHZZVNZFLFTE-SYDPRGILSA-N 221.144 2.622 0 50 BFAA Oc1c(Cl)ccc(Br)c1F 90413559 WMKQZAWRLMLCRO-UHFFFAOYSA-N 225.444 2.947 0 50 BFAA Cc1cc(C=O)cc2c1OC(C)(C)CC2 140771838 NEOFZJKXOGBDRX-UHFFFAOYSA-N 204.269 2.911 0 50 BFAA CCCC[C@@H]1C=CCN1C(=O)c1ncoc1C 216252603 JWJMVEWAOSPAEO-LLVKDONJSA-N 234.299 2.554 0 50 BFAA CC1(C)CCN1c1cc(Cl)nc(C2CC2)n1 225812656 DBTNMJUOJKVLAF-UHFFFAOYSA-N 237.734 2.996 0 50 BFAA COc1cc(O)ccc1NC(=O)OC(C)(C)C 261494315 UUWWYFQJCAFFSU-UHFFFAOYSA-N 239.271 2.748 0 50 BFAA Cn1ccc(CN2CCC(C(F)F)CC2)c1 335313252 QHPFJINHDZBITA-UHFFFAOYSA-N 228.286 2.502 0 50 BFAA Cc1nc([C@H](C)NC(=O)C2CC=CC2)cs1 336003173 BRPQEEFHHBFLQD-QMMMGPOBSA-N 236.340 2.595 0 50 BFAA Cc1cc2c[nH]nc2cc1[C@H]1CCNC[C@@H]1C 757211054 JAHLFVMIPVPWFH-JQWIXIFHSA-N 229.327 2.584 0 50 BFAA CCN1CCC[C@H](c2c[nH]c3ncccc23)C1 931368803 MDRRIMKDYJWLGQ-NSHDSACASA-N 229.327 2.762 0 50 BFAA O=C(NCc1ccc(Cl)cc1)c1ccncc1 290761 HPXZHPZIXRIFSJ-UHFFFAOYSA-N 246.697 2.665 0 50 BFAA CC(C)(C)NC(=O)Nc1ccc(F)cc1 398826 PWSWDFNZPOBCMV-UHFFFAOYSA-N 210.252 2.746 0 50 BFAA O=C(c1ccc(F)cc1F)C(F)(F)F 2579837 JMRMOPRHHLTLDG-UHFFFAOYSA-N 210.101 2.710 0 50 BFAA CC(=O)Nc1cc(C)ccc1Br 3227415 SRJOJXJRVGYFMM-UHFFFAOYSA-N 228.089 2.716 0 50 BFAA NC(=O)c1ccc(-c2ccccc2Cl)o1 5059651 VOTVXDLPEPZGRT-UHFFFAOYSA-N 221.643 2.699 0 50 BFAA CCc1ccc(C(=O)n2nc(C)cc2C)s1 6959101 AYPWNHZSPXMZMZ-UHFFFAOYSA-N 234.324 2.812 0 50 BFAA O=c1ccc(-c2nc3ccccc3s2)c[nH]1 8729859 BBQYQEBIYBOKBJ-UHFFFAOYSA-N 228.276 2.652 0 50 BFAA Cc1ccc(-c2ncc(C=O)s2)cc1 22864302 RYJVUGRGDUNLMS-UHFFFAOYSA-N 203.266 2.931 0 50 BFAA in-vitro CCNC(=O)c1ccc(Br)c(C)c1 38536975 PZCJWOZCVPXGOU-UHFFFAOYSA-N 242.116 2.507 0 50 BFAA in-vitro CN[C@@H](COc1ccccc1)Cc1ccccc1 54437216 AWLQOFPQRWZRAU-OAHLLOKOSA-N 241.334 2.896 0 50 BFAA CCCn1c(C)nc2cc(C(=O)OC)ccc21 59745314 HLCUMQMYJXGGGN-UHFFFAOYSA-N 232.283 2.541 0 50 BFAA Cc1ccc(OC[C@H](C)NC(=O)C(C)C)cc1C 72119334 KZGWIPJMOIGLCW-ZDUSSCGKSA-N 249.354 2.843 0 50 BFAA Cc1nc(C)c(-c2cc(N)nc3[nH]ccc23)s1 72462889 XWKLYOOELBSHKV-UHFFFAOYSA-N 244.323 2.885 0 50 BFAA Nc1cc(F)c(Br)c(Cl)c1 117172391 VOPLRYDSRVEQDI-UHFFFAOYSA-N 224.460 2.824 0 50 BFAA in-vitro CNC(=O)c1cc(Cl)ccc1NCC1CC1 127713922 KGEBHEBTZGGFRX-UHFFFAOYSA-N 238.718 2.522 0 50 BFAA CCN(C(=O)CC(C)(C)C)c1cccnc1 170779608 DOFYKJSFJNKMEP-UHFFFAOYSA-N 220.316 2.871 0 50 BFAA COc1cc(Cl)c(C(F)(F)F)cn1 238412703 SIFFIPDEANVBPC-UHFFFAOYSA-N 211.570 2.762 0 50 BFAA CCCCCNC(=O)N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]21 240333482 FDMWFLRDHPDGNF-RVMXOQNASA-N 236.359 2.617 0 50 BFAA CC(C)C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 242914654 GVFIIUBNCJRDSI-RHYQMDGZSA-N 209.333 2.583 0 50 BFAA O=Cc1cccc(F)c1-c1ccc(C(=O)O)o1 725261216 WNUGFCVBHRGCAG-UHFFFAOYSA-N 234.182 2.596 0 50 BFAA Cc1cc2c[nH]nc2cc1[C@H]1C[C@H](C)CCN1 757215701 XBHWFQHDPZRASK-YMTOWFKASA-N 229.327 2.932 0 50 BFAA C[C@]1(F)CC[C@@H](NC(=O)c2cc(F)c[nH]2)CC1 2325791362 SGQLXDHBGQHRFF-WVSHTKLVSA-N 242.269 2.554 0 50 BFAA O=C(O)c1cc(C(F)(F)F)ccc1F 57040 LIFKXWNFWIUMJT-UHFFFAOYSA-N 208.110 2.543 0 50 BFAA in-vitro Cc1ccc(C(=O)Nc2ncccc2Cl)o1 759462 XKKIUQNOESGKQA-UHFFFAOYSA-N 236.658 2.889 0 50 BFAA O=C(O)c1cc(Cl)cc(F)c1Cl 1732077 ZVYNMBUXCNVMSC-UHFFFAOYSA-N 209.003 2.831 0 50 BFAA NCc1cc(C(F)(F)F)cc(Cl)c1F 2382041 IMINUBYBSZMWRS-UHFFFAOYSA-N 227.588 2.957 0 50 BFAA Brc1ccc(-c2cc[nH]n2)s1 3883835 RBOKZFIVGFLORX-UHFFFAOYSA-N 229.102 2.901 0 50 BFAA Cc1ccccc1OCc1csc(N)n1 3885561 MSHDHYZYZVVVPP-UHFFFAOYSA-N 220.297 2.613 0 50 BFAA in-vitro O=C(O)c1cc2scc(Br)c2[nH]1 30678295 WQGQGYADKDKACG-UHFFFAOYSA-N 246.085 2.690 0 50 BFAA in-vitro CC[C@@H]1CN(CCCc2ccccc2)CCN1C 32551027 RPRVLBJAPXPGKX-MRXNPFEDSA-N 246.398 2.645 0 50 BFAA CN1c2ccccc2C(=O)NC12CCCCC2 34410150 OJKVNBPSRYGYIY-UHFFFAOYSA-N 230.311 2.527 0 50 BFAA CCOC(=O)CSc1cccc(Cl)c1 54184952 YHQFPGGXXUBCEI-UHFFFAOYSA-N 230.716 2.995 0 50 BFAA CCN[C@@]1(c2cccs2)CCCCC1=O 56898730 QAXBVGVYDCAVLV-LBPRGKRZSA-N 223.341 2.696 0 50 BFAA in-man CCC/C=C/c1n[nH]c(-c2ccccn2)n1 67676335 VDJBZGSJULXFID-XBXARRHUSA-N 214.272 2.680 0 50 BFAA Cc1c(F)cc(C(=O)O)cc1Br 89064173 KIOZXYDLEXQKKJ-UHFFFAOYSA-N 233.036 2.595 0 50 BFAA in-vitro CCc1cc(N(C)Cc2cccs2)ncn1 95361980 NLWSBTCIKLINRN-UHFFFAOYSA-N 233.340 2.737 0 50 BFAA O=c1scc(-c2ccc(F)cc2)s1 225766011 JEFUUGMVXVDEMA-UHFFFAOYSA-N 212.270 2.976 0 50 BFAA CC1(C)CCC(=O)C[C@@H]1N1CCCCC1 725361761 PJXAZFHNQBFFDS-LBPRGKRZSA-N 209.333 2.620 0 50 BFAA O=C(CCc1ccccc1)Nc1cccnc1 50239 VDIGXPJBFMIXHE-UHFFFAOYSA-N 226.279 2.653 0 50 BFAA CCOC(=O)c1c(N)sc2c1CC[C@H](C)C2 80931 WSOISFMHBFFWRQ-ZETCQYMHSA-N 239.340 2.632 0 50 BFAA in-vitro COc1cccc(CNCc2ccco2)c1 268560 RFNRFMUVTOITLG-UHFFFAOYSA-N 217.268 2.578 0 50 BFAA in-vitro Cc1ccccc1-n1cnc2ccccc2c1=O 281742 CBFJSWUGLMNPKR-UHFFFAOYSA-N 236.274 2.694 0 50 BFAA COC(=O)[C@@H](C)Oc1ccccc1C(C)C 1459369 IIAVBDCSUIHSHC-SNVBAGLBSA-N 222.284 2.750 0 50 BFAA COC(=O)c1ccc(COc2cccc(C)c2)o1 2505974 BFZDRZIYYVJQQN-UHFFFAOYSA-N 246.262 2.954 0 50 BFAA C[C@H]1CN(C2CCCCC2)[C@H](C)CC1=O 3997104 ZBMNTDYSMDSDGV-WDEREUQCSA-N 209.333 2.619 0 50 BFAA CCN1CCC(N[C@@H]2CCC[C@@H](C)[C@@H]2C)CC1 4022538 YCHOAJGUGVCVSR-VNHYZAJKSA-N 238.419 2.885 0 50 BFAA C[C@H](O)CNCc1ccc(-c2ccccc2F)o1 4942852 JBHGUYDBUZYYQD-JTQLQIEISA-N 249.285 2.556 0 50 BFAA Fc1cccc(Cl)c1CSc1ncn[nH]1 7603769 VYZIHMSACFAIAI-UHFFFAOYSA-N 243.694 2.890 0 50 BFAA CC(C)c1ccc(NC(=O)CN2CCCC2)cc1 10495280 XWJFFGWRGSXACE-UHFFFAOYSA-N 246.354 2.844 0 50 BFAA Cc1ccc(N(C)C)c(Br)c1 28278341 WHDJFGXRKRLPJK-UHFFFAOYSA-N 214.106 2.824 0 50 BFAA in-vitro CC(C)(C)NC(=O)Cc1ccc(Cl)cc1F 71754860 MRWYUXZAWHZCNK-UHFFFAOYSA-N 243.709 2.936 0 50 BFAA COC(=O)c1ccc2c(Cl)nccc2c1 82766592 PKEQALCNHHWENP-UHFFFAOYSA-N 221.643 2.675 0 50 BFAA in-vitro CCOC(=O)c1c(N)[nH]c2ccc(Cl)cc12 91692759 AOGFIGLCLLQDIX-UHFFFAOYSA-N 238.674 2.580 0 50 BFAA NCC12C3c4ccccc4[C@@H]1[C@H]2c1ccccc13 101045748 GHMHZXBXYOZQNA-JCCCHCCOSA-N 233.314 2.972 0 50 BFAA O=C(O)Cc1ccc(Cl)c2cccnc12 161026891 POIRXGXUELQJCU-UHFFFAOYSA-N 221.643 2.515 0 50 BFAA Cc1ccccc1CCCN1CC[C@@H](O)C[C@@H]1C 170610753 HIJOKDZJPFJFAH-GOEBONIOSA-N 247.382 2.773 0 50 BFAA O=Cc1c(O)ccc(Cl)c1Br 238716586 WEHHHXOCMSMOOR-UHFFFAOYSA-N 235.464 2.621 0 50 BFAA C[C@H](c1nc(-c2ccon2)no1)C1CCC1 333874379 SMAVCDMKWCJBSL-ZETCQYMHSA-N 219.244 2.628 0 50 BFAA CN(C)c1ccccc1-c1ccc(CCO)cc1 426690380 ZQKUSNYPRPDKLK-UHFFFAOYSA-N 241.334 2.954 0 50 BFAA CCc1c(C)nc(C)nc1-c1cccc(CO)c1 534667049 WSNASDMGKFWVCE-UHFFFAOYSA-N 242.322 2.815 0 50 BFAA O=C(Nc1ccc2nccn2c1)c1ccsc1 603785589 FBSWNHOOKIYYEI-UHFFFAOYSA-N 243.291 2.648 0 50 BFAA CC[C@H]1CCC(=O)C[C@@H]1N1CCCCC1 725362624 VPJWFBJWMPOCKQ-AAEUAGOBSA-N 209.333 2.620 0 50 BFAA C/C(=C\c1ccco1)CN[C@H]1CCN(C)[C@@H](C)C1 1775987511 LPXVLKVNOSSTGL-ZJTSMVRJSA-N 248.370 2.755 0 50 BFAA C[C@@H](Oc1ccccc1)C(=O)NC1CCCC1 30507 RAKABVUUUXKNDS-LLVKDONJSA-N 233.311 2.513 0 50 BFAA CC(C)(C)N1C[C@H](COc2ccccc2)OC1=O 50036 KXKQKMIBWVMCKO-GFCCVEGCSA-N 249.310 2.685 0 50 BFAA Cc1cccc(C(=O)NCc2ccccc2)c1 128757 KNQRVGSKGZJGQV-UHFFFAOYSA-N 225.291 2.925 0 50 BFAA O=C(O)c1ccc(Oc2ccccc2)nc1 158917 GFEUNYLQJDQNAN-UHFFFAOYSA-N 215.208 2.572 0 50 BFAA in-vitro Cc1cccc(C)c1NC(=O)CN1CCCCC1 284981 OVECJQXXUIVZBI-UHFFFAOYSA-N 246.354 2.728 0 50 BFAA COc1c(C)cccc1[C@@H]1CCCCN1 3734687 GVWAAKIMGYPHAS-LBPRGKRZSA-N 205.301 2.818 0 50 BFAA in-vitro CC(C)=CNC(=O)Nc1ccc2c(c1)OCCO2 6262265 GSCUJZHPUXPLIA-UHFFFAOYSA-N 248.282 2.503 0 50 BFAA Cc1cc(C)c(C(=O)Nc2ccon2)c(C)c1 6731412 ZYQRCRSRTKQMML-UHFFFAOYSA-N 230.267 2.852 0 50 BFAA CCC(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 6746099 JHRIVUOYQODOBO-ZDUSSCGKSA-N 249.310 2.593 0 50 BFAA CC(C)(C)OC(=O)n1ccc2cccnc21 14984929 SGZMGGUBXZBVPJ-UHFFFAOYSA-N 218.256 2.820 0 50 BFAA in-vitro Nc1n[nH]c2ccc(-c3ccc(F)cc3)cc12 136490342 AGNMZPNKLQYVAQ-UHFFFAOYSA-N 227.242 2.951 0 50 BFAA CCCCS[C@H]1CCCN(C(C)C)C1=O 170652046 UZMKSUYIUBXBNF-NSHDSACASA-N 229.389 2.919 0 50 BFAA CCC(CC)C(=O)N[C@@H](CCO)c1ccccc1 279765159 FNKQSOLGUCEXLV-AWEZNQCLSA-N 249.354 2.663 0 50 BFAA Cc1cc(CN(C)c2ccnc(C(C)C)n2)no1 301207027 TZEBOSFVZUEXAD-UHFFFAOYSA-N 246.314 2.533 0 50 BFAA COc1cccc(-c2cc(CNC(C)C)[nH]n2)c1 725264670 FHFZZEKJIVXHKN-UHFFFAOYSA-N 245.326 2.583 0 50 BFAA COc1cc(F)ccc1-c1cnc2cnccn12 2100477941 MBEUXTCMKJFEGK-UHFFFAOYSA-N 243.241 2.544 0 50 BFAA Cc1nnc2c3c4c(sc3ncn12)CCCC4 156877 MUNPYAZQQWYCOH-UHFFFAOYSA-N 244.323 2.526 0 50 BFAA COc1ccc(Nc2cccccc2=O)cc1 301743 BSTMKBHGUSVLCI-UHFFFAOYSA-N 227.263 2.799 0 50 BFAA CCCNC(=O)Nc1ccc(C)cc1C 1640219 ZJCZTCJPRKXFFU-UHFFFAOYSA-N 206.289 2.835 0 50 BFAA O=Cc1ccccc1-c1ccc(C(=O)O)cc1 2574081 WCKIOKGQNVOJGT-UHFFFAOYSA-N 226.231 2.864 0 50 BFAA in-vitro CC[C@@H](CO)NC1CCC(C(C)(C)C)CC1 4555183 SGGLIDLFSHTYNW-CPCZMJQVSA-N 227.392 2.952 0 50 BFAA in-vitro CS(C)=NC(=O)c1ccc(Cl)cc1 11536025 YZUGYBGEMFPLPY-UHFFFAOYSA-N 215.705 2.542 0 50 BFAA Cc1nc2cc(C(F)(F)F)ccc2n1C 12523641 QIOYCRVQIQHGRR-UHFFFAOYSA-N 214.190 2.901 0 50 BFAA in-vitro Cc1n[nH]c2cc(Br)ccc12 14984925 PUVRYFUBGFMXMW-UHFFFAOYSA-N 211.062 2.634 0 50 BFAA in-vitro FC(F)(F)c1ccc(N2CCCC2)nc1 20638213 FZZPGIBTBJMALF-UHFFFAOYSA-N 216.206 2.701 0 50 BFAA c1ccc([C@@H]2CNCc3ccccc3O2)cc1 32919480 REJFCSPYGGFJGI-HNNXBMFYSA-N 225.291 2.910 0 50 BFAA in-vitro Cc1ccc(Br)c2cn[nH]c12 36533420 JTFKASPFJNQUBL-UHFFFAOYSA-N 211.062 2.634 0 50 BFAA in-vitro CCOC(=O)CCNc1ccc(Cl)cc1 36671213 YQWGCZCUTBSNQW-UHFFFAOYSA-N 227.691 2.705 0 50 BFAA Cc1nn(C(C)C)cc1Br 42384398 NEZRKPLGDMBWDL-UHFFFAOYSA-N 203.083 2.535 0 50 BFAA in-vitro Cn1nc(-c2ncc[nH]2)c2c(Cl)cccc21 67688433 QWUPZROXKSKJOS-UHFFFAOYSA-N 232.674 2.617 0 50 BFAA O=C(O)[C@@]12CC=CC[C@@H]1Cc1ccccc12 71773121 JVYUXASPSRCULN-RISCZKNCSA-N 214.264 2.531 0 50 BFAA C[Si](C)(C)/C=C/S(=O)(=O)c1ccccc1 196203343 OAFHXIYOGFKWQE-MDZDMXLPSA-N 240.400 2.851 0 50 BFAA CCCOc1cccc(COCc2ncc[nH]2)c1 408519734 WUTJGXYREOCGPH-UHFFFAOYSA-N 246.310 2.915 0 50 BFAA CCc1nn(C)cc1-c1ccc(OC)cc1OC 426652847 HFAXSWRKHVUVCR-UHFFFAOYSA-N 246.310 2.667 0 50 BFAA CC1(C)CC(Sc2nc3cncnc3[nH]2)C1 631020471 XYENWRSBABRAQA-UHFFFAOYSA-N 234.328 2.634 0 50 BFAA Cc1ccc2n[nH]cc2c1[C@H]1CCCN[C@@H]1C 757209993 GYWIWOJBJKNJRJ-MNOVXSKESA-N 229.327 2.727 0 50 BFAA COc1cc(-c2ccc3ocnc3c2)ccn1 1240256738 UCHSNDLKCJPNPL-UHFFFAOYSA-N 226.235 2.898 0 50 BFAA C=CC(=O)N1C[C@@H](C)C[C@H]1c1ccccc1 1335860275 LWNHZIBBXMBHGA-AAEUAGOBSA-N 215.296 2.782 0 50 BFAA CCC(=O)Nc1cnc2ccc(F)cc2c1 2325815868 YUMCZFSIWDFFLC-UHFFFAOYSA-N 218.231 2.722 0 50 BFAA CC1CCN(C(=O)Nc2ccccc2)CC1 139354 GIAPKBPEDIJWCI-UHFFFAOYSA-N 218.300 2.950 0 50 BFAA Oc1cccc2ccc(N3CCCCC3)nc12 235874 MMMWXCLCXPKPSW-UHFFFAOYSA-N 228.295 2.931 0 50 BFAA in-vitro Cc1ccc(C)c(CN2CCCC[C@@H]2CO)c1 247685 JUFMQPZHSMSXRE-OAHLLOKOSA-N 233.355 2.650 0 50 BFAA CCC(=O)N[C@H](C)CCc1ccccc1 375369 ASEOMIRZIMEYSQ-LLVKDONJSA-N 205.301 2.534 0 50 BFAA O=C(Nc1ccccc1)Oc1cccnc1 395112 UPRPNGGSKFBCOW-UHFFFAOYSA-N 214.224 2.693 0 50 BFAA Cc1cc(C)c(N)c(Br)c1C 402240 UMIDFBDPMOPWDY-UHFFFAOYSA-N 214.106 2.957 0 50 BFAA Oc1ccccc1OCc1ccccc1 406909 CCZCXFHJMKINPE-UHFFFAOYSA-N 200.237 2.971 0 50 BFAA biogenic CC(=O)c1cccc(NC(=S)N2CCCC2)c1 621490 UUNAOPBEACPWBU-UHFFFAOYSA-N 248.351 2.682 0 50 BFAA CC(C)C(=O)Nc1cnc2ccccc2c1 781947 UZUMJHSXEDRTRV-UHFFFAOYSA-N 214.268 2.829 0 50 BFAA CCCNC(=O)Nc1cccc(Cl)c1OC 2171922 NUHRPKASPQTANG-UHFFFAOYSA-N 242.706 2.880 0 50 BFAA Oc1c(F)c(F)c(Cl)c(F)c1F 2530822 DYRVFYHTONHQSA-UHFFFAOYSA-N 200.518 2.602 0 50 BFAA in-vitro Cc1cc(Cl)cc(Cl)c1OCC(=O)O 4758200 SEGKFMXJNIEDQN-UHFFFAOYSA-N 235.066 2.765 0 50 BFAA Clc1ccc2[nH]c(N3CCCC3)nc2c1 5687384 AIEWPQVOVZVKEW-UHFFFAOYSA-N 221.691 2.817 0 50 BFAA CCN(CC)CCCOc1ccc(C=O)cc1 8731594 ZWSCYSJDRXOETA-UHFFFAOYSA-N 235.327 2.610 0 50 BFAA CC(C)(C)OC(=O)NC1(CCN)CCCCC1 12649001 YJCLONDHMINYMK-UHFFFAOYSA-N 242.363 2.563 0 50 BFAA CCCC(=O)Nc1ccc(C(=O)OC)cc1C 29824793 RZMQQYDXKPDLJH-UHFFFAOYSA-N 235.283 2.520 0 50 BFAA Clc1cc(Br)cn2ccnc12 35270097 FYUCIRHQXQEOJW-UHFFFAOYSA-N 231.480 2.750 0 50 BFAA in-vitro CC(C)Oc1ccncc1Br 95495953 ORZBSKUGXMIXQZ-UHFFFAOYSA-N 216.078 2.631 0 50 BFAA CO[C@@H](C)c1cccc(-c2cc(CO)ccn2)c1 97619641 LBUJXCSWMZCOBB-NSHDSACASA-N 243.306 2.948 0 50 BFAA COC(=O)c1cc(C(F)(F)F)cnc1Cl 97756949 ABTMVRRTSDJRGO-UHFFFAOYSA-N 239.580 2.540 0 50 BFAA Cc1c(CN[C@@H]2CC(C)(C)C[C@@H]2C)cnn1C 193144696 XGPQYXAKZIRKLG-GXFFZTMASA-N 235.375 2.643 0 50 BFAA C[C@@]12Cc3ccccc3[C@@](C)(CC(=O)O1)C2 252537114 KILLDLOAMKTFEJ-KBPBESRZSA-N 216.280 2.596 0 50 BFAA Clc1ccc(Cc2nnc3n2CCCC3)cc1 258220480 KXRWSWPYVJIIJS-UHFFFAOYSA-N 247.729 2.859 0 50 BFAA CCCCCc1nc(CCc2cccnc2)n[nH]1 584902718 UWPBBCXEZCEUBJ-UHFFFAOYSA-N 244.342 2.718 0 50 BFAA CCC(C)(C)[C@H]1CCC(=O)C[C@H]1N(C)C 725359769 GTFINJHJLQJGPZ-NWDGAFQWSA-N 211.349 2.722 0 50 BFAA CC(C)C[C@H]1CCN1c1ccnc(C2CC2)n1 2325767460 ZZXHESPIYAVIOG-GFCCVEGCSA-N 231.343 2.979 0 50 BFAA CC[C@@H](Oc1ccccc1)C(=O)NC1CCCC1 35405 MVCFXYGLRMSKCA-CQSZACIVSA-N 247.338 2.903 0 50 BFAA C[C@@](O)(C(=O)c1ccccc1)c1ccccc1 157103 DIVXVZXROTWKIH-HNNXBMFYSA-N 226.275 2.777 0 50 BFAA CC(C)NC(=O)c1cccc2ccccc12 375303 PMSNDIDROFXWJC-UHFFFAOYSA-N 213.280 2.978 0 50 BFAA Cc1cc(O)c(NC(=O)c2ccco2)cc1C 451010 TYLKKIDXIOTCFK-UHFFFAOYSA-N 231.251 2.854 0 50 BFAA O=C(O)c1ccccc1OCc1ccccc1 2169206 GMOYUTKNPLBTMT-UHFFFAOYSA-N 228.247 2.964 0 50 BFAA in-vitro Cc1noc(C)c1C(=O)Nc1cccc(F)c1 3533492 VVKPRFWPVBZSPK-UHFFFAOYSA-N 234.230 2.683 0 50 BFAA CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)O 4771404 LLMLSUSAKZVFOA-INEUFUBQSA-N 209.072 2.662 0 50 BFAA in-vitro OC[C@@H](Oc1ccccc1)c1ccccc1 4824058 NXTGLBMUSIXDDI-CQSZACIVSA-N 214.264 2.799 0 50 BFAA CCOc1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1 13326429 QBARECPEBXJSAF-CABZTGNLSA-N 219.284 2.680 0 50 BFAA c1ccc([C@@H]2NCCN[C@@H]2c2ccccc2)cc1 19366428 NXYCTQXWYWRZDE-IYBDPMFKSA-N 238.334 2.662 0 50 BFAA in-vitro CN(C)c1ccc(-c2ccc3[nH]ccc3c2)nn1 32541252 XIOIGYNMSBUIMD-UHFFFAOYSA-N 238.294 2.691 0 50 BFAA OC1CCC(OCc2ccccc2)CC1 35636534 GDGBMTDJFHTXID-UHFFFAOYSA-N 206.285 2.507 0 50 BFAA in-vitro CCn1ccnc1CN(C)Cc1sccc1C 65380558 KXNBGNDEDXMMER-UHFFFAOYSA-N 249.383 2.905 0 50 BFAA CCCc1nccn1-c1cc(O)c(F)c(F)c1 65494588 AGWAILOEEQKJGN-UHFFFAOYSA-N 238.237 2.809 0 50 BFAA CCCCc1nncn1-c1ccc(C(C)=O)cc1 67965433 DDOFJJSWVRGNRD-UHFFFAOYSA-N 243.310 2.813 0 50 BFAA CCCC(=O)c1ccc(OCCCN(C)C)cc1 95918086 JJHCQYUKZYAWHV-UHFFFAOYSA-N 249.354 3.000 0 50 BFAA COc1ccc(NCc2c(C)noc2C)c(C)n1 184901776 CDMODNOJFPUJFL-UHFFFAOYSA-N 247.298 2.616 0 50 BFAA CCc1noc(C)c1-c1noc(-c2ccco2)n1 225556865 QBOIEERCJVCPOF-UHFFFAOYSA-N 245.238 2.855 0 50 BFAA CCCOc1ncc(C(F)(F)F)cc1O 261493847 KPMPILMRCULULW-UHFFFAOYSA-N 221.178 2.595 0 50 BFAA CC(=O)c1sc2nc(C)cc(C)c2c1N 75107 ZDAPLZCKWHZNPX-UHFFFAOYSA-N 220.297 2.698 0 50 BFAA in-vitro CN(Cc1ccccc1)Cc1ccccn1 279155 ONYBFPOHTJSCRQ-UHFFFAOYSA-N 212.296 2.714 0 50 BFAA Cc1scc(C(=O)N2CCCC2)c1C 1052274 PTDONYZPWCOSKX-UHFFFAOYSA-N 209.314 2.601 0 50 BFAA O=C1NC(=O)/C(=C\c2ccc(Cl)cc2)S1 1235942 OTTGINRZTJUWBT-VMPITWQZSA-N 239.683 2.664 0 50 BFAA CC(C)c1ccc(O[C@H](C)C(=O)O)cc1 1459491 JQGMFMWLOKZVBQ-SECBINFHSA-N 208.257 2.662 0 50 BFAA in-vitro O=C(CN1CCCC1)C12CC3CC(CC(C3)C1)C2 3900117 KJAXFKIBVRVZFD-UHFFFAOYSA-N 247.382 2.868 0 50 BFAA CCOCCC(=O)N[C@H](C)CCc1ccccc1 4825867 AVJVQWHCGZFJLP-CYBMUJFWSA-N 249.354 2.551 0 50 BFAA Cc1csc(Nc2ccc(C(N)=S)cc2)n1 19867029 PYUORRNMXOKVKK-UHFFFAOYSA-N 249.364 2.829 0 50 BFAA in-vitro CSC1=NCCN1c1ccc(C)cc1 32919130 RHKQGWGFKRVUHM-UHFFFAOYSA-N 206.314 2.534 0 50 BFAA COc1cc(C)c2c(c1C)C(=O)CCC2 34535030 MRGCGORNMGNETB-UHFFFAOYSA-N 204.269 2.831 0 50 BFAA O=C1CN(Cc2ccccc2)Cc2ccccc21 38337485 XMROQWKQZGYVRT-UHFFFAOYSA-N 237.302 2.885 0 50 BFAA O=C(O)c1cc2c(Br)cccc2o1 82237855 AWHJIEGQJDBVCF-UHFFFAOYSA-N 241.040 2.894 0 50 BFAA in-vitro C[C@@H](NCCc1ccccc1F)[C@H]1CCCO1 154403933 WJRQQJXGUSQPKT-BXUZGUMPSA-N 237.318 2.525 0 50 BFAA C[C@H](c1cccc(O)c1)[C@H]1CCCN(C)C1 258933462 QUQYNKHJLPHOKN-YPMHNXCESA-N 219.328 2.838 0 50 BFAA Cc1cc([C@H]2CCN(C(=O)C(F)F)C2)cs1 328587336 DRTUZFCCNOPZEF-QMMMGPOBSA-N 245.294 2.638 0 50 BFAA C[C@H]1c2ccsc2CCN1C(=O)[C@@H]1CC12CC2 334999766 MEJZCECMFAPTOU-ONGXEEELSA-N 247.363 2.994 0 50 BFAA Cc1ccc(O[C@@H]2CCOC2)c(Cl)c1 336614044 VSEAIHZRSWXGEZ-SECBINFHSA-N 212.676 2.816 0 50 BFAA Cc1ccc2c(=O)n(C3(C)CCC3)cnc2c1 584900055 BALOCNRYYPDZAS-UHFFFAOYSA-N 228.295 2.604 0 50 BFAA C[C@H]1C[C@@H](C)N[C@@H](C2CCCCC2)[C@H]1CN 757216137 XYBJZRPJUJXPHN-XCCSTKFXSA-N 224.392 2.528 0 50 BFAA C=CC(=O)NCc1cccc(-c2ccncc2)c1 1875366702 XSPQNCWGJNQWLZ-UHFFFAOYSA-N 238.290 2.551 0 50 BFAA CCC(=O)C[C@](O)(c1ccccc1)C(F)(F)F 51216 QCVZPLFWQXHAKD-NSHDSACASA-N 246.228 2.806 0 50 BFAA O=C(O)c1csc(-c2cccs2)n1 158692 FGKCNTGJZXHKFJ-UHFFFAOYSA-N 211.267 2.570 0 50 BFAA in-vitro O=Cc1cn(-c2ccccc2)nc1-c1cccnc1 446137 FDZVXJJNBAJELS-UHFFFAOYSA-N 249.273 2.747 0 50 BFAA CC(=O)CC(=O)Nc1cc(Cl)ccc1C 449515 SGUFPRJAMBWKAZ-UHFFFAOYSA-N 225.675 2.566 0 50 BFAA in-vitro CSc1ccc(CNC[C@H]2CCCO2)cc1 810257 CVGIGSXTCWYPOL-GFCCVEGCSA-N 237.368 2.677 0 50 BFAA CCOC(=O)c1cc(-c2ccccc2)on1 1401891 DSUXKYCDKKYGKX-UHFFFAOYSA-N 217.224 2.518 0 50 BFAA in-vitro Cc1cc(C)nc(Nc2cccc(F)c2)n1 1921664 DDMXUFJOFSXJST-UHFFFAOYSA-N 217.247 2.976 0 50 BFAA CCOC(=O)c1cc2c(C)cc(C)cc2[nH]1 2534083 MMFBMAHZFBCFMJ-UHFFFAOYSA-N 217.268 2.961 0 50 BFAA in-vitro CCCCc1cc(CN2CCCCC2)[nH]n1 4005487 ZHTGLWGMZXMZRN-UHFFFAOYSA-N 221.348 2.738 0 50 BFAA O=Cc1cn(Cc2ccncc2)c2ccccc12 6658041 IGEPBUMFBDKBME-UHFFFAOYSA-N 236.274 2.897 0 50 BFAA Cc1cc(C(=O)O)c(C)n1Cc1ccc(F)cc1 6667810 GSDMGAGFDOQHKA-UHFFFAOYSA-N 247.269 2.991 0 50 BFAA O=C(NCCCc1ccccc1)C1CCC1 13328600 IPFVIEYRKNDOIU-UHFFFAOYSA-N 217.312 2.536 0 50 BFAA CC(C)Cn1cc(C=O)c2c(C(=O)O)cccc21 19701913 HRRNWZCAOFUVDE-UHFFFAOYSA-N 245.278 2.808 0 50 BFAA biogenic Clc1cc2c(Br)c[nH]c2cn1 44185211 AACITGQBOLOMOP-UHFFFAOYSA-N 231.480 2.979 0 50 BFAA in-vitro Brc1cccc([C@@H]2NCCS2)c1 52957241 HCHIGNRMHLIEIN-SECBINFHSA-N 244.157 2.784 0 50 BFAA CCCn1cc(C(=O)N2CCCCCC2)c(C)n1 91706559 MPWVVVDHQDGAHX-UHFFFAOYSA-N 249.358 2.618 0 50 BFAA Cc1ccc(C(=O)CC(=O)C(C)C)s1 112750670 FAVGYBWUPGEJPR-UHFFFAOYSA-N 210.298 2.854 0 50 BFAA CCNCc1c(F)cccc1Br 165031852 ZHXYKEVENJUINQ-UHFFFAOYSA-N 232.096 2.698 0 50 BFAA C=Cn1cc(CN(C)[C@@H](C)c2ccccn2)cn1 194587145 QLCKOTCNWLPSPC-LBPRGKRZSA-N 242.326 2.572 0 50 BFAA COC(=O)c1cnc2c(Cl)cccc2c1 222683525 KLPSQABGOWWQHE-UHFFFAOYSA-N 221.643 2.675 0 50 BFAA O[C@H]1CC[C@H](Nc2ncc(Cl)cc2F)CC1 252710255 GDOUYUZTARYKNQ-KYZUINATSA-N 244.697 2.590 0 50 BFAA Cc1cccc(NC(=O)C2CC(F)(F)C2)c1 335351900 LXVWKIBVMVGDFD-UHFFFAOYSA-N 225.238 2.979 0 50 BFAA Cc1cc(C)nc(CN(C)Cc2ccoc2)c1 584902628 YHAHSNZDBBUBIK-UHFFFAOYSA-N 230.311 2.923 0 50 BFAA C=CC(=O)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1 863971568 YXVSWUFTVQHGGL-YPMHNXCESA-N 233.286 2.764 0 50 BFAA C[C@H]1CCc2c(O)nc(-c3ccccc3)nc21 1776004720 VRLXPTSUSFJZQP-VIFPVBQESA-N 226.279 2.899 0 50 BFAA Cc1cc(C(=O)NC[C@@H](C)F)sc1Cl 1875323002 RKAXLZZUJSKVAT-ZCFIWIBFSA-N 235.711 2.798 0 50 BFAA Nc1cncc(-c2ccc(O)c3ccccc23)n1 2356157366 HODQVNJTXGDFLG-UHFFFAOYSA-N 237.262 2.585 0 50 BFAA O=C(Nc1ccncc1)c1ccc(Cl)cc1 59337 XUCJZEMSZSRYHK-UHFFFAOYSA-N 232.670 2.987 0 50 BFAA Cc1nc2sccc2c(-c2ccccc2)[n+]1[O-] 334376 YRVGYHKPMYVOEI-UHFFFAOYSA-N 242.303 2.905 0 50 BFAA COc1ccc(O)c(C(=O)c2ccccc2)c1 336961 RIFCEURUCJPMOQ-UHFFFAOYSA-N 228.247 2.632 0 50 BFAA in-vitro CC(C)C(=O)OC[C@@H](C)c1ccccc1 406939 LZTCJUAHYXNKRE-LLVKDONJSA-N 206.285 2.989 0 50 BFAA endogenous,in-man COCC(=O)Nc1ccc(Cl)cc1Cl 458061 BLEJYSCPMNRNJK-UHFFFAOYSA-N 234.082 2.578 0 50 BFAA CC[C@H](C)NC(=O)c1ccc(C)cc1C 514666 UPGJGWBPGRIIKD-NSHDSACASA-N 205.301 2.832 0 50 BFAA O=C1C2=Nc3ccccc3CN2c2ccccc21 2519665 VTMDQEHTVKDBHC-UHFFFAOYSA-N 234.258 2.933 0 50 BFAA Oc1cn(-c2ccccc2)nc1C(F)(F)F 2569706 ZHCWJNLQJDKCMO-UHFFFAOYSA-N 228.173 2.597 0 50 BFAA Cc1ccc(NC(=O)CCC(=O)OC(C)C)cc1 2991501 GXTOTSJTIXGUDA-UHFFFAOYSA-N 249.310 2.665 0 50 BFAA Cc1cc(C)nc(C[C@H]2CCCCCN2)c1 3735161 NHSQROWSPXEKIY-CYBMUJFWSA-N 218.344 2.773 0 50 BFAA in-vitro C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)O 4262555 GSFUBCGLEXRAJW-SSDOTTSWSA-N 226.659 2.634 0 50 BFAA in-vitro CC[C@H](C)NC(=O)[C@H](C)Oc1ccccc1C 6603688 QWDQTEBIJCAEFC-RYUDHWBXSA-N 235.327 2.677 0 50 BFAA Fc1cccc(-c2nc3ccncc3[nH]2)c1F 16697859 YHWRNLFLGWSRMG-UHFFFAOYSA-N 231.205 2.903 0 50 BFAA in-vitro CCN(CC)CCN(C)Cc1cccc(C)c1 19636712 VHIBTYPXUWTWLZ-UHFFFAOYSA-N 234.387 2.769 0 50 BFAA O=Cc1cc2c(Br)cccc2[nH]1 82046722 QMULHCUEKZWWSC-UHFFFAOYSA-N 224.057 2.743 0 50 BFAA Cc1cn(-c2ccccc2)nc1Br 218300369 CQCVLMGJOUCELL-UHFFFAOYSA-N 237.100 2.943 0 50 BFAA CCC1CCC(N[C@@H]2C[C@H]3CC[C@H]2O3)CC1 251497510 DLWAYDUFVHMZAF-YTPFDHIKSA-N 223.360 2.865 0 50 BFAA Cc1ccc([C@@H]2CCC[C@H]2N(C)CC(=O)O)cc1 262671205 RRXZMDYELSYBEX-UONOGXRCSA-N 247.338 2.648 0 50 BFAA FC(F)c1cnc(NC2C[C@@H]3C[C@H]3C2)nc1 335179579 WEINVEJCCRFZJW-BQBZGAKWSA-N 225.242 2.625 0 50 BFAA Cc1ccc2n[nH]cc2c1[C@@H]1CC[C@H](C)CN1 757211948 KXPYYEOFEXIKDC-ZANVPECISA-N 229.327 2.932 0 50 BFAA Cc1nc(C)c(CN2C[C@H]3CC[C@H](C3)C2)s1 825272211 IIUHROBYENSHHW-TXEJJXNPSA-N 236.384 2.992 0 50 BFAA CO[C@H]1CCCN(Cc2cc(C)c(C)o2)C1 952870265 VBDLSCLFOMMZKW-LBPRGKRZSA-N 223.316 2.507 0 50 BFAA CC[C@H]1C=CCN1Cc1cccc(OC)c1OC 952873558 LPFKFQPWIFTKMP-ZDUSSCGKSA-N 247.338 2.854 0 50 BFAA C=CC(=O)N1C[C@@H](c2ccccc2)C[C@H]1C 952888246 PKWHJNNNWRYYJW-YPMHNXCESA-N 215.296 2.577 0 50 BFAA CC(C)=CCN1CCc2[nH]nc(C3CC3)c2CC1 1857670685 AJCHCVBYOMMIGF-UHFFFAOYSA-N 245.370 2.654 0 50 BFAA O=C(O)CCSc1ccc(Cl)cc1 153438 JGJULSJGGIMHBK-UHFFFAOYSA-N 216.689 2.907 0 50 BFAA in-vitro OC[C@H]1CCCN1Cc1cccc2ccccc12 212302 JJLAWVROOFMBGH-OAHLLOKOSA-N 241.334 2.797 0 50 BFAA CC(C)NC(=O)c1ccc2ccccc2c1 455415 QMXNKTCOIVKLQA-UHFFFAOYSA-N 213.280 2.978 0 50 BFAA CC(C)CNC(=O)/C=C/c1cccs1 474324 XYMQNLHPNUPZEP-AATRIKPKSA-N 209.314 2.534 0 50 BFAA Nc1cnn(Cc2ccc(Cl)cc2Cl)c1 2388745 GKFQAGBYQFFGTJ-UHFFFAOYSA-N 242.109 2.820 0 50 BFAA COC(=O)c1cccc(-c2ccc(C=O)cc2)c1 8699304 RSHKDQKNWSRIRC-UHFFFAOYSA-N 240.258 2.953 0 50 BFAA in-vitro CNC/C=C/COc1ccc(C(C)C)cc1 12383033 IHHGUWNIIWHQIC-SNAWJCMRSA-N 219.328 2.964 0 50 BFAA CCCn1nc(N)c2c(Cl)cccc21 19092264 KYBNMNFGKBFZHJ-UHFFFAOYSA-N 209.680 2.682 0 50 BFAA in-vitro N#CNC(=N)Cc1ccc(Cl)c(Cl)c1 19207386 FPJZOLMBOBRFFS-UHFFFAOYSA-N 228.082 2.584 0 50 BFAA CCC1=N[C@H](c2ccc(O)cc2)N(O)C1(C)C 19607400 DPNDGTQEKNIWJD-LBPRGKRZSA-N 234.299 2.725 0 50 BFAA O=C(O)C1(c2cccc(Br)c2)CC1 20281331 MYDCJGVBYNDHIC-UHFFFAOYSA-N 241.084 2.565 0 50 BFAA in-vitro O=c1ccc(-c2cccc3ccccc23)n[nH]1 26420431 ICAGUJCIYINNRR-UHFFFAOYSA-N 222.247 2.590 0 50 BFAA Clc1nc(Cl)c2sccc2n1 30678396 AQECFYPZMBRCIA-UHFFFAOYSA-N 205.069 2.998 0 50 BFAA in-vitro Cc1cccc(CNC(=O)C2CCCC2)c1 32760727 MZQNBIHAYNDKKL-UHFFFAOYSA-N 217.312 2.801 0 50 BFAA O=C(c1c(F)cc(F)cc1F)C(F)(F)F 40571470 ZPDGQFMOKUFGSK-UHFFFAOYSA-N 228.091 2.849 0 50 BFAA CC(C)=C1C(=O)N[C@@H](C)/C1=C\c1ccccc1 43761648 FMVUWBOOZCUMBD-GJSJWPQCSA-N 227.307 2.925 0 50 BFAA CCN(CC)CCN(C)c1cccc(C)c1 44125955 UXYDVOAULHCFJD-UHFFFAOYSA-N 220.360 2.773 0 50 BFAA COc1cc(C(=O)O)ccc1-c1ccc(O)cc1 65349583 PPMIGKDXUOPLPN-UHFFFAOYSA-N 244.246 2.766 0 50 BFAA in-vitro CC(C)C(=O)[C@H]1C[C@@H](C(C)C)CCC1=O 112750754 GFCMCMHCUZLQMA-QWRGUYRKSA-N 210.317 2.853 0 50 BFAA Cc1cccc(C(=O)CC(=O)C(C)C)c1 132627571 LFBDGUHOUXLCTE-UHFFFAOYSA-N 204.269 2.793 0 50 BFAA Cc1cccc(N(C)CCc2ncc(C)s2)n1 158207049 WKDIQMOCNDIOLM-UHFFFAOYSA-N 247.367 2.834 0 50 BFAA CC(C)/N=c1\ccccn1C(=O)C[C@@H]1C=CCC1 201603872 RWDSDSMNQARVAY-ZPTIMJQQSA-N 244.338 2.794 0 50 BFAA Fc1ncccc1C(F)(F)C(F)(F)F 219031314 KXASSQNNLRATLP-UHFFFAOYSA-N 215.096 2.875 0 50 BFAA C[C@H](c1ccccc1)N1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O 257368504 KABHMPAVGAFIRM-SAXRGWBVSA-N 245.322 2.685 0 50 BFAA Cn1cccc1CNC1CCC(F)(F)CC1 309519043 AXCOKLBIBQMIJY-UHFFFAOYSA-N 228.286 2.693 0 50 BFAA Cc1cnc(CNc2ccccc2F)nc1 336358536 WNDTZUKQQODYDU-UHFFFAOYSA-N 217.247 2.536 0 50 BFAA NCCc1ccc(-c2ocnc2CC2CC2)cc1 2356157601 MOTLKVSKLDZHCA-UHFFFAOYSA-N 242.322 2.795 0 50 BFAA COc1cc(CN[C@H]2CC[C@H](C)C2)cc(OC)c1 277292 IUTHOWKMPJVEGB-AAEUAGOBSA-N 249.354 2.982 0 50 BFAA OC(c1ccc(F)cc1)(C1CC1)C1CC1 394401 UZLKOZBJNPWGSK-UHFFFAOYSA-N 206.260 2.833 0 50 BFAA Fc1ccccc1-c1nc(-c2ccccn2)no1 468026 UNLKICKRSJKPQP-UHFFFAOYSA-N 241.225 2.938 0 50 BFAA O=C(O)CCc1ccc2ccccc2c1 1675915 IZOYTDIICIICBE-UHFFFAOYSA-N 200.237 2.857 0 50 BFAA in-vitro CCCCNC(=O)Nc1ccc(F)cc1 2147208 PRPGVJISWYATAU-UHFFFAOYSA-N 210.252 2.747 0 50 BFAA CCOc1ccc([C@@H]2NCCn3cccc32)cc1 2455020 MEVCBERUPQQZGI-HNNXBMFYSA-N 242.322 2.579 0 50 BFAA Cc1c(N)ccc(Br)c1Cl 4290654 IAWSZYHMEPZGKK-UHFFFAOYSA-N 220.497 2.993 0 50 BFAA c1ccc(SC[n+]2ccccc2)cc1 5485679 LHMRTNGWGSTIGK-UHFFFAOYSA-N 202.302 2.724 0 50 BFAA CC(C)C(=O)NC12CC3CC(CC(C3)C1)C2 5726885 SZDKRLQQAFPJPC-UHFFFAOYSA-N 221.344 2.727 0 50 BFAA O=C(CCSc1ccccc1)N1CCCC1 6597927 HBARXHJNGNDQAS-UHFFFAOYSA-N 235.352 2.791 0 50 BFAA c1ccc2c(c1)Cc1cc(-n3cnnc3)ccc1-2 45958347 DQCYJZPWSPTOFJ-UHFFFAOYSA-N 233.274 2.839 0 50 BFAA COc1cccc(C(=O)OC(C)(C)C)c1 68813261 ZPLFHXUDJLEUOT-UHFFFAOYSA-N 208.257 2.651 0 50 BFAA O=C1CCc2cc(-c3nccs3)ccc21 118909776 XGTQYQKHZSWTPE-UHFFFAOYSA-N 215.277 2.939 0 50 BFAA Cc1cc(C(=O)N2CCCC[C@@H]2C)c(C)n1C 298271255 JKCNDFSCBRBMJX-JTQLQIEISA-N 234.343 2.657 0 50 BFAA CC[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1c1cccnc1 448614856 SPKHYKLDAUYXEE-MRVWCRGKSA-N 244.338 2.791 0 50 BFAA CC[C@]1(O)CCCN(Cc2ccc(Cl)o2)C1 639385023 MPIKUVKIEHZCTF-LBPRGKRZSA-N 243.734 2.670 0 50 BFAA O=C(NCc1ccco1)c1ccc(Cl)cc1 121361 SKMGYVCLHQFMCA-UHFFFAOYSA-N 235.670 2.863 0 50 BFAA Clc1nc(Cl)nc(-c2ccccc2)n1 154596 AMEVJOWOWQPPJQ-UHFFFAOYSA-N 226.066 2.845 0 50 BFAA in-vitro Cc1cccc([C@H]2NC(=O)c3ccccc3N2)c1 410192 IZRZUJFPYGNHRH-CQSZACIVSA-N 238.290 2.849 0 50 BFAA O=C(O)CCCC(=O)c1ccc(Cl)cc1 2378611 BVLILROMUFYKGH-UHFFFAOYSA-N 226.659 2.778 0 50 BFAA Cc1ccc([C@H](N)c2ccc(O)cc2)cc1 5746567 VBQFKQVMAVFLRF-AWEZNQCLSA-N 213.280 2.749 0 50 BFAA Cc1ccc(F)c(NC(=S)NC2CC2)c1 7526548 FHGJYAMBBGOTOD-UHFFFAOYSA-N 224.304 2.583 0 50 BFAA Cc1cccc(O[C@H](C)C(=O)NC2CCCC2)c1 9190800 FPIDDTSSYDVODT-GFCCVEGCSA-N 247.338 2.821 0 50 BFAA CCOC(=O)Nc1ccc(OC)cc1C 13327583 IGFRZXHFPITEDR-UHFFFAOYSA-N 209.245 2.572 0 50 BFAA CCCC(=O)Nc1cc(Cl)ccc1C(=O)O 13957505 OYDAXENJTPWLSC-UHFFFAOYSA-N 241.674 2.777 0 50 BFAA CC(=O)Nc1ccc(-c2ccc(CO)o2)c(C)c1 20136441 GODZSOSLSWHYLX-UHFFFAOYSA-N 245.278 2.706 0 50 BFAA CCOC(=O)C1CC(OCc2ccccc2)C1 32297712 BOBSPEXKRNDFCE-UHFFFAOYSA-N 234.295 2.545 0 50 BFAA Clc1ccc(CO[C@@H]2CCNC2)c(Cl)c1 36142139 IJHMQHBTIMTDJW-SNVBAGLBSA-N 246.137 2.872 0 50 BFAA in-vitro COC(=O)[C@@H](C)SC(=S)c1ccccc1 86012998 WPFPXUQEUXJYHU-MRVPVSSYSA-N 240.349 2.657 0 50 BFAA Cc1cc(F)cc2c(CC(=O)O)coc12 129258162 XUJYTRLQAHUTQK-UHFFFAOYSA-N 208.188 2.507 0 50 BFAA COc1ccc2[nH]cc(CN3CCCC3)c2c1 169677493 VIWIIMCQNDZROC-UHFFFAOYSA-N 230.311 2.772 0 50 BFAA C[C@]12[C@H]3C=C[C@@H](C3)[C@@]1([Si](C)(C)C)[C@H]2C(=O)O 230008686 FRGMBCAWYUBFTI-CXWACVEQSA-N 236.387 2.992 0 50 BFAA CCCO[C@@H]1CCC[C@@H](CCCO)C1 238247402 KNCACCCFPLJHEI-NWDGAFQWSA-N 200.322 2.744 0 50 BFAA Oc1ccc(OC2CCCCC2)nc1F 261493959 MSQBWANEWREQSU-UHFFFAOYSA-N 211.236 2.638 0 50 BFAA CC1(n2cnc3cccc(F)c3c2=O)CCCC1 584887882 CKOZMSXRZOVTSH-UHFFFAOYSA-N 246.285 2.825 0 50 BFAA CCc1cccc(-c2c(C)noc2C)n1 649439684 BVMCRFCZYFMJLH-UHFFFAOYSA-N 202.257 2.916 0 50 BFAA Cc1ccc2n[nH]cc2c1[C@H]1CCN[C@@H](C)C1 757211162 KBEBSWFNTDUYOB-QWRGUYRKSA-N 229.327 2.727 0 50 BFAA Cc1cc(NC(=O)[C@@H]2CCC(C)(C)O2)cnc1C 893813963 XCSGDGPVMSTODP-LBPRGKRZSA-N 248.326 2.595 0 50 BFAA CCc1onc(C)c1/C=C/c1nc(C)cc(O)n1 899370200 BGGHWTFWJRXZER-AATRIKPKSA-N 245.282 2.520 0 50 BFAA CCC1(CC)C[C@H]1CNc1nccc(N(C)C)n1 1529191727 DJQUVJLNUINXJW-NSHDSACASA-N 248.374 2.781 0 50 BFAA Cc1cnnc(-c2cccc(N(C)C)c2)c1C 2356158115 XFLPXHZDQVZCIK-UHFFFAOYSA-N 227.311 2.826 0 50 BFAA Nc1cccc(-c2nccc3ncccc23)c1 2356159619 JNZCDPSBHIVCOP-UHFFFAOYSA-N 221.263 2.879 0 50 BFAA Nc1ccc(Br)c(Cl)c1 166762 QLYHPNUFNZJXOQ-UHFFFAOYSA-N 206.470 2.685 0 50 BFAA in-vitro O=C(Cc1cccs1)Nc1ccccc1 272345 OZAZJRGTYBNVMJ-UHFFFAOYSA-N 217.293 2.929 0 50 BFAA CCC(=O)n1cc(C=O)c2ccccc21 608821 ACKLMSYSJQUZLQ-UHFFFAOYSA-N 201.225 2.504 0 50 BFAA Cc1noc(C)c1CNc1ccccc1 1383216 PLGGMHVUVNKJDQ-UHFFFAOYSA-N 202.257 2.904 0 50 BFAA in-vitro O=C1CCCCCN1Cc1ccccc1 1406266 DJGIITKNTHQYPX-UHFFFAOYSA-N 203.285 2.589 0 50 BFAA biogenic,in-vitro Nc1ccnc2c(C(F)(F)F)cccc12 2562237 JTMLOHYYNHRKTF-UHFFFAOYSA-N 212.174 2.836 0 50 BFAA in-vitro CC1(C)OC(=O)N2c3ccccc3N[C@@]21C 3117611 JKRBDABZPIENTF-LBPRGKRZSA-N 218.256 2.564 0 50 BFAA O=Cc1cn[nH]c1-c1ccccc1Cl 4237548 CBGOFFLTNRLZMU-UHFFFAOYSA-N 206.632 2.543 0 50 BFAA in-vitro NC(=O)Nc1ccc2[nH]c3c(c2c1)CCCC3 4783844 APEKMQPTADUBPH-UHFFFAOYSA-N 229.283 2.537 0 50 BFAA CCCC(=O)Nc1ccc(OC)cc1C 13326918 TVLVTZVPJNKUJR-UHFFFAOYSA-N 207.273 2.742 0 50 BFAA CC[C@@H](C)C(=O)OCCc1ccccc1 14651766 KVKKTLBBYFABAZ-LLVKDONJSA-N 206.285 2.818 0 50 BFAA endogenous,in-man CCC(=O)Nc1ccc(C(=O)N(CC)CC)cc1 14834649 RSKPUQTUFURXOD-UHFFFAOYSA-N 248.326 2.517 0 50 BFAA CC(C)(C)OC(=O)n1cc(CN)c2ccccc21 26896556 DLCWCVSPHUGAPJ-UHFFFAOYSA-N 246.310 2.883 0 50 BFAA COC(=O)c1c2cc(C(C)C)cccc-2oc1=O 34147371 HOVPKDFNWCKKGB-UHFFFAOYSA-N 246.262 2.655 0 50 BFAA in-vitro O=C1CCOc2c(Br)cc(F)cc21 34974997 KBLVYCPSTDBXCB-UHFFFAOYSA-N 245.047 2.553 0 50 BFAA Cc1nn(C)c2c1[C@@H](C1CCCCC1)CC(=O)N2 72117618 XQOQFVXBLFNZOW-LLVKDONJSA-N 247.342 2.735 0 50 BFAA CSc1cnc(Br)c(F)c1 95616446 UMYAYFMDSKEYHI-UHFFFAOYSA-N 222.082 2.705 0 50 BFAA Cc1cccc(CNc2nnc3n2CCCC3)c1 159100636 VYQAHSSMYSLIKG-UHFFFAOYSA-N 242.326 2.535 0 50 BFAA Cc1cc(C(=O)N2CC=CC2)ccc1Cl 910008604 FYLATOBARAZFAV-UHFFFAOYSA-N 221.687 2.660 0 50 BFAA C=CC(=O)N[C@@H]1C[C@H](C)Cc2cc(OC)ccc21 1776000078 VIUUKYQNZANYFI-QMTHXVAHSA-N 245.322 2.621 0 50 BFAA CCOC(=O)c1c(Cl)cc(C)nc1Cl 89505 ZNFJVVLTQSOWJY-UHFFFAOYSA-N 234.082 2.874 0 50 BFAA in-vitro Nc1cc(Br)cc2[nH]ccc12 2383974 KLQFZHDLYGMBCX-UHFFFAOYSA-N 211.062 2.513 0 50 BFAA in-vitro C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)O 2387047 GSFUBCGLEXRAJW-ZETCQYMHSA-N 226.659 2.634 0 50 BFAA in-vitro COc1ccc2c3c(c(=O)oc2c1C)CCC3 4027915 YGXDFJQPDFEATJ-UHFFFAOYSA-N 230.263 2.599 0 50 BFAA biogenic CCN(CC)C(=O)N1CCCc2ccccc21 4731583 RHMBZLSSNCYDJI-UHFFFAOYSA-N 232.327 2.901 0 50 BFAA COc1ccccc1CN[C@@H]1CCCC[C@H]1OC 4952865 WIYJMEIIKKRJEO-UKRRQHHQSA-N 249.354 2.742 0 50 BFAA CC(C)ONC(=O)Nc1ccccc1Cl 5727328 BQEPGVUZQWQOLU-UHFFFAOYSA-N 228.679 2.802 0 50 BFAA CCCc1nnc(S)n1-c1ccccc1C 6391576 IZDNVVLLUMIUNE-UHFFFAOYSA-N 233.340 2.817 0 50 BFAA COc1ccc(Cl)cc1NC(=O)NC(C)C 6699628 XRURMEWOHDCHFZ-UHFFFAOYSA-N 242.706 2.879 0 50 BFAA CCSc1nc(-c2ccccc2OC)n[nH]1 6702924 GCKUVUDIHGHBJA-UHFFFAOYSA-N 235.312 2.592 0 50 BFAA OCCCc1cccc(C(F)(F)F)c1 22008403 QWXKQVIMGVVIBX-UHFFFAOYSA-N 204.191 2.630 0 50 BFAA in-vitro O=C(O)[C@@]12CC=CC[C@H]1CCc1ccccc12 44126409 VPIKHFWERATWBS-WFASDCNBSA-N 228.291 2.921 0 50 BFAA Cc1cccc(F)c1I 49588112 WXHRYDHCFKJKKO-UHFFFAOYSA-N 236.027 2.739 0 50 BFAA in-vitro C[C@]1(N)CCc2cc(Br)ccc21 95803721 VASQMCKCNNFDKI-JTQLQIEISA-N 226.117 2.569 0 50 BFAA in-vitro CC(=O)c1ccc(C(=O)O)c2ccccc12 114966203 DOCFRBZXXQJPBD-UHFFFAOYSA-N 214.220 2.741 0 50 BFAA CO[C@@](C)(c1ccc(N)cc1)C(F)(F)F 149209555 SJVSSIYPUJMARQ-VIFPVBQESA-N 219.206 2.693 0 50 BFAA O[C@H]1CC2(CCCC2)Oc2ccc(F)cc21 160684125 CQDHJWCLXIQJNV-NSHDSACASA-N 222.259 2.954 0 50 BFAA C[Si](C)(C)C[C@@H](O)Cc1ccccc1 169820054 FDDSMWUFJNULIF-LBPRGKRZSA-N 208.377 2.928 0 50 BFAA C[C@H](NCCCF)c1cccc(-n2ccnc2)c1 170605238 FEBIPSXCUUTCKH-LBPRGKRZSA-N 247.317 2.883 0 50 BFAA C[Si](C)(C)c1cccc(Cl)c1C(=O)O 196233487 RCGMVADEWKAPLG-UHFFFAOYSA-N 228.751 2.583 0 50 BFAA COC(=O)Cc1c[nH]c2c(Cl)cccc12 222378927 IPLRBOCSGBFZDV-UHFFFAOYSA-N 223.659 2.537 0 50 BFAA C[C@@]1(CO)CCCN([C@H]2CCc3ccccc32)C1 252570582 WVFANUHZCMOXBC-JKSUJKDBSA-N 245.366 2.768 0 50 BFAA Nc1cc(Br)c2cccnc2c1 253534134 ZKNUGXMIWACQQC-UHFFFAOYSA-N 223.073 2.580 0 50 BFAA C[C@](N)(Cc1ccccc1)C(F)(F)F 306189271 PELLNMJDXDTLMW-VIFPVBQESA-N 203.207 2.509 0 50 BFAA COc1cccc2ncn(C3CCCC3)c(=O)c12 584895440 ZQIPDMADQGEVNE-UHFFFAOYSA-N 244.294 2.520 0 50 BFAA COc1cccc(-c2ccc(F)nc2)c1OC 725264278 WHOZTEPNHKHUQO-UHFFFAOYSA-N 233.242 2.905 0 50 BFAA C=CC(=O)N[C@H]1CCCc2c(C)cccc21 1335324036 MRZCGCZZRJIOGC-ZDUSSCGKSA-N 215.296 2.675 0 50 BFAA O=C(Nc1cccnc1)[C@@H]1C[C@H]1c1ccccc1 140079 WTOILWVPRTVEAN-UONOGXRCSA-N 238.290 2.824 0 50 BFAA CC(=O)N(c1ccccc1)c1nnc(C)s1 1204893 CASXKIWREZOJSS-UHFFFAOYSA-N 233.296 2.531 0 50 BFAA CCC[C@H](C(=O)OCC)C(=O)c1ccccc1 1697123 VGSIFKKEDZIPEN-LBPRGKRZSA-N 234.295 2.849 0 50 BFAA CCCCNCC(=O)c1c[nH]c2ccccc12 1834978 QGJAEWYELJLZOG-UHFFFAOYSA-N 230.311 2.740 0 50 BFAA biogenic CC(C)(C)OC(=O)Nc1ccc(CO)cc1 2541563 YQKDTZYYROHLMB-UHFFFAOYSA-N 223.272 2.526 0 50 BFAA in-vitro Cc1nc(-c2ccc(CCN)cc2)cs1 4218869 QLVWYTPQLNRUAD-UHFFFAOYSA-N 218.325 2.620 0 50 BFAA in-vitro Nc1ccccc1C(=O)Cc1cccs1 4343010 VUKQCPUOORRJNJ-UHFFFAOYSA-N 217.293 2.756 0 50 BFAA CCN(C(=O)c1ccc(N)cc1)c1ccccc1 4820772 CQVXDHAQPYPAEU-UHFFFAOYSA-N 240.306 2.936 0 50 BFAA C[C@H]1CCCN(Cc2cccc(N)c2)C1 15937632 FBNVXAZXOQRQHJ-NSHDSACASA-N 204.317 2.501 0 50 BFAA in-vitro O=C(CC(=O)c1ccccc1O)c1ccccc1 17991503 OABFIJGAEVKMJP-UHFFFAOYSA-N 240.258 2.848 0 50 BFAA biogenic Cc1ccc2nc([C@@H](N)C(C)C)[nH]c2c1 19088308 FYXUYWWJKLWESE-NSHDSACASA-N 203.289 2.527 0 50 BFAA in-vitro CC[C@@H](Oc1ccccc1C)C(=O)N1CCCC1 30869641 CCXMELOHLGKHFT-CYBMUJFWSA-N 247.338 2.775 0 50 BFAA NC1(c2ccc(Br)cc2)CCC1 36379604 JAINAWVWUDTCFK-UHFFFAOYSA-N 226.117 2.787 0 50 BFAA in-vitro Ic1cc2ccccc2[nH]1 38284714 ZPIHHIRJUPXETJ-UHFFFAOYSA-N 243.047 2.773 0 50 BFAA CCOCc1ccccc1Br 38536983 IRJIHLOLKDSXAJ-UHFFFAOYSA-N 215.090 2.986 0 50 BFAA in-vitro O=C(O)c1ccc(-c2ccccc2)cc1O 39194529 IDXMMAOAJXZWSS-UHFFFAOYSA-N 214.220 2.757 0 50 BFAA in-vitro CC(=O)OC[C@@]12CO[C@@H](C)[C@@H](C1)C(C)=C[C@@H]2C 43959286 FLTREWUZEUGCGE-IMIFBBOLSA-N 238.327 2.557 0 50 BFAA COc1ccc(C(=O)N[C@H]2CC[C@@H]3CCC[C@@H]32)o1 77471344 DZDDGZAPJLVLIQ-DCAQKATOSA-N 249.310 2.597 0 50 BFAA CCCCn1ncnc1CN(C)c1ccccc1 92078270 DNYHMCONWSWYBK-UHFFFAOYSA-N 244.342 2.715 0 50 BFAA C[C@@]1(c2ccc(Br)cc2F)CO1 132245877 UGYYDBPQIHIIGY-VIFPVBQESA-N 231.064 2.834 0 50 BFAA O=C(Cc1ccsc1)N[C@H]1C=CCCC1 157417845 DFBDHTGVXFBZFM-NSHDSACASA-N 221.325 2.516 0 50 BFAA CC(C)c1nccc(N[C@@H]2CCCC[C@H]2CO)n1 170615828 YXTGIFNSLYBOLG-NWDGAFQWSA-N 249.358 2.563 0 50 BFAA O=C(Oc1ccc2c(c1)CCC2)[C@@H]1CCCOC1 170620717 MMNSKLDEMXRZSN-CYBMUJFWSA-N 246.306 2.507 0 50 BFAA CCCc1nnc(-c2cccnc2)s1 205450688 FROAQQWOHMQGBV-UHFFFAOYSA-N 205.286 2.553 0 50 BFAA C[C@@H]1C[C@H]1NC(=O)NCC[C@H]1C[C@H]2CC[C@H]1C2 252586049 NBVOMBFLALFPOL-QNWJLWSRSA-N 236.359 2.520 0 50 BFAA Cc1cncc(N2CCC[C@@H](C(F)(F)F)C2)n1 336519421 ALOIGJNZDQMIIC-SECBINFHSA-N 245.248 2.564 0 50 BFAA C[C@@H](CO)SCc1nsc2ccccc12 585118484 QJUKYIPCDVTZPW-QMMMGPOBSA-N 239.365 2.910 0 50 BFAA CC[C@@]1(C(=O)OC)O[C@@]1(C)c1ccc(C)s1 669382356 GPSUPBKLCLTVKN-RYUDHWBXSA-N 240.324 2.624 0 50 BFAA Cc1cc(C(=O)Nc2cnoc2C(C)C)co1 1339141573 LZPVNENVOPRYGL-UHFFFAOYSA-N 234.255 2.952 0 50 BFAA COCC1(CSc2ncccn2)CCCC1 1615058314 OGTFVWWQBVAEBP-UHFFFAOYSA-N 238.356 2.776 0 50 BFAA C=CC(=O)Nc1ccc([C@@H]2CC2(F)F)cc1 1875368283 GMYSOLLNGXKJDE-JTQLQIEISA-N 223.222 2.934 0 50 BFAA COc1cccc(OC)c1-c1nncc(C)c1C 2356166285 QVMFWBKEMMQZIJ-UHFFFAOYSA-N 244.294 2.778 0 50 BFAA Cc1ccc([C@H]2NC(=O)c3ccccc3O2)cc1 50965 NAUIKHQOPHSUKM-HNNXBMFYSA-N 239.274 2.816 0 50 BFAA COC[C@@H](C)NCc1ccc(SC)cc1 275562 CVBPCZQPPXQUEF-SNVBAGLBSA-N 225.357 2.533 0 50 BFAA in-vitro Cc1ccc(C(=O)NCc2cccnc2)cc1C 288410 ABYVIWMLLJVBQC-UHFFFAOYSA-N 240.306 2.628 0 50 BFAA Cc1cccc(NC(=O)C2CCCCC2)n1 299130 XNTZPQKXBRDVAE-UHFFFAOYSA-N 218.300 2.909 0 50 BFAA CC1(C)CCc2c(ccc3ccc(=O)oc23)O1 302323 GXOXLDJHMAATRL-UHFFFAOYSA-N 230.263 2.897 0 50 BFAA biogenic [O-][n+]1cnc2ccccc2c1-c1ccccc1 391434 ZCSCWVLTBTZMSU-UHFFFAOYSA-N 222.247 2.535 0 50 BFAA c1ccc2[nH]c(CNC3CCCCC3)nc2c1 1852249 XXLIQOXUMQBRDG-UHFFFAOYSA-N 229.327 2.985 0 50 BFAA Cn1cnnc1SC/C=C/c1ccccc1 2497177 FSNYXQZDOOQNCW-VMPITWQZSA-N 231.324 2.621 0 50 BFAA Cc1cnc(C)c(-c2ccc(C(=O)O)s2)n1 32590575 UFMMSNDDFGPXLP-UHFFFAOYSA-N 234.280 2.520 0 50 BFAA CCO/C=C1/N=C(/C=C/c2ccccc2)OC1=O 33953937 AHMVMWDNUHCKQY-CDKJVOIVSA-N 243.262 2.533 0 50 BFAA in-vitro Cc1cnc(NC2CCCCC2)c(N)c1 36226361 JQKUQSVGLJCCFG-UHFFFAOYSA-N 205.305 2.717 0 50 BFAA CC(C)(C)C(=O)Nc1ccnc2cc(C=O)oc12 39961370 XVHKFHXHYNDZBK-UHFFFAOYSA-N 246.266 2.625 0 50 BFAA in-vitro CCOC(=O)c1ccc(NC2CCCC2)c(N)c1 41079817 FPJFIJRFOVRYNA-UHFFFAOYSA-N 248.326 2.800 0 50 BFAA c1ccc([C@@H]2COC(c3ccccn3)=N2)cc1 90751538 FGWZWSGZIWCUFZ-ZDUSSCGKSA-N 224.263 2.600 0 50 BFAA C/C(O)=C/c1sc2ccccc2[n+]1C 100299008 MMGDXFPDKJNCAM-UHFFFAOYSA-O 206.290 2.645 0 50 BFAA CC(=O)N(C)C[C@@H]1[C@H](C)C=C(C)C[C@H]1C 101125776 COCCDELCQAVHHZ-NQBHXWOUSA-N 209.333 2.703 0 50 BFAA COc1cccc(OCc2ccncc2)c1 114601493 VDXAGZICPJAPMI-UHFFFAOYSA-N 215.252 2.669 0 50 BFAA Oc1ccc(Oc2ccc(F)cc2)nc1 148802421 ISISINCVBHRXTL-UHFFFAOYSA-N 205.188 2.719 0 50 BFAA C=CC(=O)N[C@H](c1ccco1)C(C)(C)C 820436828 NTISGWKORCBLHB-LLVKDONJSA-N 207.273 2.669 0 50 BFAA C=CC(=O)N1C[C@H](c2ccccc2)C[C@@H]1C 952888245 PKWHJNNNWRYYJW-WCQYABFASA-N 215.296 2.577 0 50 BFAA CN1CC[C@H](c2ccc3ccccc3c2)[C@@H](O)C1 1565509298 VGGXXEAYHHSUTP-CVEARBPZSA-N 241.334 2.620 0 50 BFAA CC[C@@]12C[C@H]1CN(Cc1cc(C(C)(C)C)n[nH]1)C2 1775980351 ZBANGLYSHMGYOI-NHYWBVRUSA-N 247.386 2.939 0 50 BFAA C[C@H]1CC[C@@H]2CN=C(NCC3(C)CCCC3)N2C1 2325864149 HSXAKAOMGQWANO-QWHCGFSZSA-N 249.402 2.626 0 50 BFAA COc1ccc(S[C@H]2CCCNC2)cc1 2559472 SIFHYWQYOGEIMG-LBPRGKRZSA-N 223.341 2.539 0 50 BFAA in-vitro CCCCOc1ccc(C=O)cc1OC 2573374 VDQRSBASPLRAOM-UHFFFAOYSA-N 208.257 2.687 0 50 BFAA in-vitro O=C(CSc1ccc(F)cc1)N1CCCC1 2845544 BIJBEBGCDIVTHC-UHFFFAOYSA-N 239.315 2.540 0 50 BFAA COC(=O)c1cc2ccc(SC)cc2[nH]1 4235072 WIDPUEXDDQAFTO-UHFFFAOYSA-N 221.281 2.676 0 50 BFAA in-vitro Nc1cc(Cl)cc(Br)c1 4253970 YYBRLVWWPRAQDX-UHFFFAOYSA-N 206.470 2.685 0 50 BFAA Cc1ccccc1NC(=O)N1C[C@H](C)O[C@H](C)C1 18101966 GQXRSWYTAIVGBK-TXEJJXNPSA-N 248.326 2.636 0 50 BFAA COc1cccc(CC[C@H]2CCCNC2)c1 41232922 AHNMQUYOKZLPFY-CYBMUJFWSA-N 219.328 2.627 0 50 BFAA Brc1cccc2c1OCCC2 82372104 YJOORJDFGHETSS-UHFFFAOYSA-N 213.074 2.774 0 50 BFAA in-vitro CCc1n[nH]c(C(=O)N2CCCCCCC2)c1C 97475085 QNDWGFRXWFRRJY-UHFFFAOYSA-N 249.358 2.687 0 50 BFAA c1cc(CN2CCCC2)cc(C2CCNCC2)c1 108259796 XPIFPHRCPHBXQD-UHFFFAOYSA-N 244.382 2.749 0 50 BFAA O=C(O)CCc1cc2c(cn1)[nH]c1ccccc12 169794995 CVKFLVALSZVGJC-UHFFFAOYSA-N 240.262 2.733 0 50 BFAA C[C@@H](c1ccoc1)N1CCC[C@H](N2CCCC2)C1 170601085 OGFHURSPWBZXCM-ZFWWWQNUSA-N 248.370 2.901 0 50 BFAA Fc1c(C(F)F)ccnc1Br 238703958 BNIRFNNAOGXYEU-UHFFFAOYSA-N 225.995 2.921 0 50 BFAA CCCC[C@@H]1CNCc2ccccc2O1 238795726 SIVWANLGIYZTKE-GFCCVEGCSA-N 205.301 2.727 0 50 BFAA Cc1ccc(CN2CC[C@@H](O)CC(C)(C)C2)o1 294690236 ACZQLATYQRQBTN-GFCCVEGCSA-N 237.343 2.571 0 50 BFAA CSCc1cccc(CNc2cnccn2)c1 302497791 NINIFQWUDKARLF-UHFFFAOYSA-N 245.351 2.952 0 50 BFAA C[C@@H]1CCN(Cc2csnn2)CC12CCC2 334249153 YPFLDFZWGRLQFQ-SNVBAGLBSA-N 237.372 2.550 0 50 BFAA COCC[C@H](C)NCc1cc2ccccc2n1C 585118081 AORVJBAMMOXPBR-LBPRGKRZSA-N 246.354 2.693 0 50 BFAA CC(=O)[C@H]1COc2c(C)cc(Cl)cc2C1 675063892 RYSMUGBVIUOONJ-SNVBAGLBSA-N 224.687 2.789 0 50 BFAA C[C@]1(c2ccc(C(=O)O)cc2)CC1(F)F 757122896 ZIIWLNDOLOJNHX-SNVBAGLBSA-N 212.195 2.682 0 50 BFAA CC(=O)Nc1ccc(-c2nccn2C2CC2)cc1 1875249394 PJMWQGQMOYGRLW-UHFFFAOYSA-N 241.294 2.843 0 50 BFAA CC(=O)CCc1ccc(-c2cc(C)[nH]n2)cc1 1875266696 WOGJCWLSYCEBSY-UHFFFAOYSA-N 228.295 2.907 0 50 BFAA Cc1cccc2cc(-c3cncc(N)n3)cnc12 2356157240 GSFBHPZSDXEAEC-UHFFFAOYSA-N 236.278 2.582 0 50 BFAA CCOC(=O)COc1cc(C)c(Cl)c(C)c1 80434 BYHLSWXJCVEMBA-UHFFFAOYSA-N 242.702 2.899 0 50 BFAA O[C@@H]1C[C@H](c2ccccc2)NC2(CCCC2)C1 88471 OMBCWYLENQIVBL-ZIAGYGMSSA-N 231.339 2.785 0 50 BFAA CCc1ccccc1OCC(=O)N[C@H](C)CC 131469 DMNYRRSCRMMRHM-LLVKDONJSA-N 235.327 2.543 0 50 BFAA CCOC(=O)c1ccccc1C(F)(F)F 156326 BQLMZZVRHPZRBQ-UHFFFAOYSA-N 218.174 2.882 0 50 BFAA in-vitro Cc1ccccc1NC(=O)c1ccccc1O 247391 CPURJBKOYYYKJL-UHFFFAOYSA-N 227.263 2.953 0 50 BFAA O=C(OCc1ccccc1)c1ccc(O)cc1 388756 MOZDKDIOPSPTBH-UHFFFAOYSA-N 228.247 2.749 0 50 BFAA biogenic,in-man CCCCNC(=O)CCc1ccccc1 1547335 UZTVEZLZUTUCBJ-UHFFFAOYSA-N 205.301 2.536 0 50 BFAA O=C(O)c1cc2cc(C(F)(F)F)ccc2[nH]1 2384078 FYRRCNKOGMDNSI-UHFFFAOYSA-N 229.157 2.885 0 50 BFAA in-vitro CCCCCOC(=O)Nc1nnc(C)s1 2493415 YIZHMZPBGPGHKR-UHFFFAOYSA-N 229.305 2.585 0 50 BFAA CCc1ccc(CC2CCNCC2)cc1 2555440 GYGUVDCDFCXAQN-UHFFFAOYSA-N 203.329 2.791 0 50 BFAA in-vitro C/C=C/c1ccc(OCCCNC)c(OC)c1 2845305 QEUVQEMDXMIDPV-GQCTYLIASA-N 235.327 2.717 0 50 BFAA CC(=O)Nc1ccc2sc(C(=O)O)cc2c1 4237908 KLLGPANAMFPFCO-UHFFFAOYSA-N 235.264 2.558 0 50 BFAA in-vitro O=C(Cc1ccc(F)cc1)NCc1cccs1 5617276 PPSIXSVYRXOSRE-UHFFFAOYSA-N 249.310 2.746 0 50 BFAA NCc1ccccc1-c1ccccc1F 5764215 KPHPQMNKRDPHQR-UHFFFAOYSA-N 201.244 2.951 0 50 BFAA NNc1cccc(Oc2ccccc2)c1 40442562 CXUMKPRQWDUWQE-UHFFFAOYSA-N 200.241 2.765 0 50 BFAA in-vitro CC(C)(C)OC(=O)Nc1cc(F)ccn1 91305092 VIUIAFNUKMJWFD-UHFFFAOYSA-N 212.224 2.568 0 50 BFAA in-vitro O=C(CCc1cccc(F)c1)N[C@@H]1C=CCCC1 158052088 MYLSUGMQGAXSMQ-CQSZACIVSA-N 247.313 2.983 0 50 BFAA CC[C@H](C)C(=O)N/N=C1\C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 257364971 SIXOJNKPMKSKOB-RTUUHUNNSA-N 248.370 2.961 0 50 BFAA Cc1ccc(O)cc1C(=O)N1C[C@H]2CC[C@H](C2)C1 584884242 ODPBSAYCKJIHDJ-TXEJJXNPSA-N 245.322 2.573 0 50 BFAA Cn1cc(-c2nc(C3(Cl)CC3)cs2)cn1 585098057 IUJHOPHHGLTMPQ-UHFFFAOYSA-N 239.731 2.772 0 50 BFAA Cc1nc(-c2ccc(-c3cnco3)cc2)no1 602993640 KMAKCGXAFAQPKT-UHFFFAOYSA-N 227.223 2.700 0 50 BFAA C=CC(=O)N[C@H]1CCc2cc(Cl)ccc21 863971193 IILCJZNLDBMBGU-NSHDSACASA-N 221.687 2.630 0 50 BFAA CC(C)c1nsc(N[C@@H](C)c2ncccn2)n1 1775985643 BEVIXSSUZLWSPE-QMMMGPOBSA-N 249.343 2.625 0 50 BFAA CC1(Cn2ccnc2[C@@H]2CC=CCC2)COC1 1875245925 FPDZJNLFZVSUCP-GFCCVEGCSA-N 232.327 2.743 0 50 BFAA COc1cc(F)ccc1-c1ccc(O)c(C)n1 2356151337 DRAQWERYPQGZBV-UHFFFAOYSA-N 233.242 2.910 0 50 BFAA CC(=O)Nc1ccc2nc(C)sc2c1 50947 XLYNOVXELOHZDY-UHFFFAOYSA-N 206.270 2.563 0 50 BFAA CC(C)(C)NC(=O)NCc1ccccc1Cl 137701 JLNOQDXNOCSEPU-UHFFFAOYSA-N 240.734 2.938 0 50 BFAA Cc1ccc(C(=O)N2CCCC2)cc1C 288418 RCMCDYXVKYLVRJ-UHFFFAOYSA-N 203.285 2.539 0 50 BFAA CC[C@@H](C)NC(=O)Cc1ccc(Cl)cc1 5718998 SBKDDJUXPLEPDK-SECBINFHSA-N 225.719 2.797 0 50 BFAA O=C(O)c1csc(-c2cccc(F)c2)n1 12336800 NDPPYHUQIRQQLD-UHFFFAOYSA-N 223.228 2.647 0 50 BFAA in-vitro Cc1ccc(C(=O)Nc2ccncc2)s1 12536406 BZWHLQBTEBUUMM-UHFFFAOYSA-N 218.281 2.704 0 50 BFAA O=C(O)[C@@H](CCc1ccccc1)C(F)(F)F 16159503 ILPBLRFRNISTEM-SECBINFHSA-N 232.201 2.882 0 50 BFAA Clc1cccc(CN2CCOCC2)c1Cl 19633044 UMOUJDYMYCEROQ-UHFFFAOYSA-N 246.137 2.826 0 50 BFAA C[C@@H]1CN([C@H]2CCc3ccccc3C2)C[C@@H](C)O1 23283513 UEVJCXSVUOEYMD-IOASZLSFSA-N 245.366 2.653 0 50 BFAA COC(=O)c1c[nH]c2cc(Cl)ccc12 64198462 ZUPVYZOPRHZKNJ-UHFFFAOYSA-N 209.632 2.608 0 50 BFAA in-vitro CC(C)(C)OC(=O)NCCc1ccc(C=O)cc1 72233469 NCVPDGAQMNTPMP-UHFFFAOYSA-N 249.310 2.566 0 50 BFAA Cn1c(=S)[nH]c2c(Br)cccc21 169620368 BDUCYHATQWIKFV-UHFFFAOYSA-N 243.129 2.998 0 50 BFAA CC1=CC[C@H](NCc2cn3ccccc3n2)CC1 225422882 ROFXAVFLUYXMQP-ZDUSSCGKSA-N 241.338 2.923 0 50 BFAA CC(=O)c1ccc(OCC(F)(F)F)cc1F 232564938 MWVNRPNNLFYTAQ-UHFFFAOYSA-N 236.164 2.969 0 50 BFAA Cc1cc(CN[C@@H](C)Cc2ccsc2)[nH]n1 309587587 SMGNHIXYROSPES-VIFPVBQESA-N 235.356 2.500 0 50 BFAA O[C@@H]1CCC[C@]12CCCN(Cc1ccccc1)C2 526056031 FXFWHNXQXSFCSD-HZPDHXFCSA-N 245.366 2.814 0 50 BFAA Oc1ccc(O)c(-c2c[nH]nc2-c2ccco2)c1 886025295 HSGBFLWYBMEBPN-UHFFFAOYSA-N 242.234 2.748 0 50 BFAA C1=C[C@@H](n2ccnc2-c2cnc[nH]2)CCC1 1875246125 IQJPRFKQVAXKGN-SNVBAGLBSA-N 214.272 2.554 0 50 BFAA O=C(Nc1cc2cc[nH]c2cn1)c1ccccc1 289948 HWJRIFZDXJKJJN-UHFFFAOYSA-N 237.262 2.815 0 50 BFAA in-vitro O=C(Nc1ccccc1F)c1ccco1 298967 JNAQMRMTOIZFEN-UHFFFAOYSA-N 205.188 2.671 0 50 BFAA S=C(c1ccccc1)N1CCCCC1 306129 VAKVXOSNJMACTA-UHFFFAOYSA-N 205.326 2.848 0 50 BFAA Cc1cc(NC(=O)CCC2CCCC2)no1 475085 UMURAGYTJSWJBM-UHFFFAOYSA-N 222.288 2.892 0 50 BFAA Cc1occc1C(=O)N[C@H](C)C(C)(C)C 1053607 RGDQHHATFFDSSG-SECBINFHSA-N 209.289 2.752 0 50 BFAA CC(=O)OCCCCCCCCCOC(C)=O 1684744 JAEVCKMMGIFOCL-UHFFFAOYSA-N 244.331 2.843 0 50 BFAA in-vitro Oc1cccc(OC(F)(F)C(F)F)c1 2526253 DEXGNBYVIMYKJB-UHFFFAOYSA-N 210.126 2.629 0 50 BFAA in-vitro Cc1ccc(-c2nc3ncccn3c2C=O)cc1 2533993 MOJTYOVQZVJKLS-UHFFFAOYSA-N 237.262 2.517 0 50 BFAA CCOCCC(=O)N[C@@H](C)CCc1ccccc1 4825865 AVJVQWHCGZFJLP-ZDUSSCGKSA-N 249.354 2.551 0 50 BFAA CN(C)C(=O)C(C)(C)Oc1ccc(Cl)cc1 6304818 KMCALAGDRRVMSU-UHFFFAOYSA-N 241.718 2.586 0 50 BFAA CC(C)(C)NC(=O)Nc1cccc(F)c1 6726879 LHHBPFFNPJFELX-UHFFFAOYSA-N 210.252 2.746 0 50 BFAA Cc1n[nH]c2ccc(Br)cc12 8700324 XDJNHYAQZWCIAH-UHFFFAOYSA-N 211.062 2.634 0 50 BFAA in-vitro COC(=O)c1cccc(Oc2ccccc2N)c1 14629156 XWYDTLZBLRQGFE-UHFFFAOYSA-N 243.262 2.848 0 50 BFAA CN(Cc1ccccc1)C(=O)c1cccc(O)c1 19838721 JXDPFIDNUIBVTR-UHFFFAOYSA-N 241.290 2.664 0 50 BFAA NC[C@@H]1C[C@H]1c1ccccc1Br 34893491 WYOKWGHFWKWDEZ-IONNQARKSA-N 226.117 2.511 0 50 BFAA CCOC(=O)c1cc(Cl)cc(Cl)n1 63772354 BKDVLXYPBAYFMR-UHFFFAOYSA-N 220.055 2.565 0 50 BFAA in-vitro OCc1cccc(-c2ccc(O)cc2)c1 65339933 VBMGUGNVDOLINV-UHFFFAOYSA-N 200.237 2.552 0 50 BFAA COc1cccc(-c2nccs2)c1F 65505362 ZVWRFEAEEKWOCO-UHFFFAOYSA-N 209.245 2.958 0 50 BFAA COc1cccc(OC)c1Oc1ccncc1 71773175 NBKUEAARIVSWLH-UHFFFAOYSA-N 231.251 2.891 0 50 BFAA COCc1nc2cc(C[C@@H]3CCCO3)ccc2o1 77436830 VFSCGMWRBKNSQZ-NSHDSACASA-N 247.294 2.696 0 50 BFAA CCCCOC(=O)NCCCCNC(C)(C)C 96027340 GVLLKCRIIYFYJX-UHFFFAOYSA-N 244.379 2.681 0 50 BFAA Cc1ccnc(Nc2cccc(F)c2)n1 113101943 RJUZEJURGNUKJH-UHFFFAOYSA-N 203.220 2.668 0 50 BFAA CCOc1cc(Br)ccc1[C@@H](C)N 132043373 XZNJRPVDYMSAKP-SSDOTTSWSA-N 244.132 2.868 0 50 BFAA Oc1ccc2c(Br)cncc2c1 220446196 DWNWBRUGWWTJQN-UHFFFAOYSA-N 224.057 2.703 0 50 BFAA O=C(O)c1cncc2c(Cl)cccc12 253496148 LBEGXYDMCQMRPE-UHFFFAOYSA-N 207.616 2.586 0 50 BFAA Cc1cc(C(F)(F)F)cc(CO)c1F 575709982 DGQMIHUQHIQFJR-UHFFFAOYSA-N 208.154 2.645 0 50 BFAA Cc1ccsc1CNc1ncccc1CO 585139130 DIFFFWWJNUSUAV-UHFFFAOYSA-N 234.324 2.556 0 50 BFAA C[C@H](Cc1ccccc1)N(C)C(=O)c1ccco1 669369974 RXSDTLIXVOHPLE-GFCCVEGCSA-N 243.306 2.983 0 50 BFAA O=C(Cc1cc2cc(Cl)ccc2[nH]1)NC1CC1 839466119 VVOVIRAHQLXRKX-UHFFFAOYSA-N 248.713 2.642 0 50 BFAA Oc1ccc(-c2cnc3cccc(F)c3c2)nn1 1875243733 UUVYOTACLQYIDT-UHFFFAOYSA-N 241.225 2.537 0 50 BFAA CCOc1cccc2cc(C(=O)O)oc12 156176 DQJVZIUEXPTEKX-UHFFFAOYSA-N 206.197 2.530 0 50 BFAA in-vitro CC(C)=CCC[C@H](C)CN1CCC[C@@H]1CO 182749 AOSTYZSPTDXKKY-UONOGXRCSA-N 225.376 2.826 0 50 BFAA CC1(C)C[C@@](CC(=O)O)(c2ccccc2)CCO1 210029 VOWBSUAXGNNDGB-OAHLLOKOSA-N 248.322 2.988 0 50 BFAA biogenic Cc1ccc(Cl)cc1NC(=O)N(C)C 395425 WGHPKSCYIOZYDA-UHFFFAOYSA-N 212.680 2.742 0 50 BFAA O=C1c2ccccc2-c2ncnc3cccc1c23 575976 WWXLKPRGAXWHFO-UHFFFAOYSA-N 232.242 2.841 0 50 BFAA COc1ccc(NC(=O)c2ccncc2)c(C)c1 1054774 XKAUNSGKSCXGSW-UHFFFAOYSA-N 242.278 2.651 0 50 BFAA CC(C)n1cc([C@H](O)CN(C)C)c2ccccc21 2037395 VPRQHZDGYWSBRF-OAHLLOKOSA-N 246.354 2.817 0 50 BFAA CCCCSC[C@@H](O)COc1ccccc1 2494070 AOPMMDJCCHLNPJ-LBPRGKRZSA-N 240.368 2.960 0 50 BFAA CN(C(=O)OC(C)(C)C)c1ccccc1N 2547920 QWLGWHNBBXMGRY-UHFFFAOYSA-N 222.288 2.640 0 50 BFAA in-vitro Cc1cc(C(=O)Nc2ccc(F)c(F)c2)no1 3435445 ZWIGSKNXOWVJMX-UHFFFAOYSA-N 238.193 2.514 0 50 BFAA Cc1cccc(NC(=S)NCC(C)C)c1 4685190 BSJGGXQIKDSAKI-UHFFFAOYSA-N 222.357 2.937 0 50 BFAA Cc1ccc(-c2nc(CN)cs2)cc1 11568376 UFFXWQHDZYKYJH-UHFFFAOYSA-N 204.298 2.577 0 50 BFAA in-vitro Cc1cc(Br)c(C)cc1O 11949628 LZKYUWXZSBYMSA-UHFFFAOYSA-N 201.063 2.772 0 50 BFAA in-vitro CCOC(=O)C(F)(F)c1ccc(C)c(C)c1 31829527 RPOLHMZVPIJUDP-UHFFFAOYSA-N 228.238 2.958 0 50 BFAA Cc1ccc(-c2ccnc(C(=O)O)c2)cc1 65347060 CPKZSNADPFGUEW-UHFFFAOYSA-N 213.236 2.755 0 50 BFAA CC(C)(C)OC(=O)Nc1ccc(N)c(F)c1 76855543 ADNHDGQFYNVNQZ-UHFFFAOYSA-N 226.251 2.755 0 50 BFAA Clc1ccc(Br)c2nccn12 89202406 IKTBDXFAMYTCBS-UHFFFAOYSA-N 231.480 2.750 0 50 BFAA in-vitro Cc1cc(-c2ccc(O)c(C)c2)nc(N(C)C)n1 97785249 WHTYMXWLMFBCSO-UHFFFAOYSA-N 243.310 2.532 0 50 BFAA OCC(F)(F)c1ccc(Br)cc1 112937780 HMFWHVWSQMOVMQ-UHFFFAOYSA-N 237.043 2.533 0 50 BFAA CCCC[C@@H](Oc1ccccc1C=O)C(=O)O 142306981 BNHZJSWSEINXDJ-GFCCVEGCSA-N 236.267 2.521 0 50 BFAA in-vitro CC(C)c1cnc(NC(=O)c2ccccn2)s1 172677184 XLNNCGMUIHAXEP-UHFFFAOYSA-N 247.323 2.914 0 50 BFAA CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O 225809614 MZQWVAAARQHIFQ-SECBINFHSA-N 245.244 2.759 0 50 BFAA Cc1ccc2c(c1Br)C(=O)CC2 238489542 XHDQVHPRQPQGFU-UHFFFAOYSA-N 225.085 2.886 0 50 BFAA c1nc(N2CCC[C@H]2C2CCC2)c2cc[nH]c2n1 263980802 BDDRHCCHCFMOJZ-LBPRGKRZSA-N 242.326 2.727 0 50 BFAA CC[C@@H](NC)C(=O)c1ccc(C(F)F)cc1 701186070 ZPRPCZPCGCUDAH-SNVBAGLBSA-N 227.254 2.805 0 50 BFAA Cc1cnn(CC(C)C)c1NC(=O)[C@H]1CC12CC2 1529161427 IZFFBXOXBRCZOD-LLVKDONJSA-N 247.342 2.586 0 50 BFAA Cc1cnc(NC2CCCCCC2)nc1N(C)C 1529186438 ZKLVGQNFLMXYJE-UHFFFAOYSA-N 248.374 2.986 0 50 BFAA COc1cccc([C@@H](O)c2cccs2)c1 54635 JXTVWBSRVWXIQE-GFCCVEGCSA-N 220.293 2.838 0 50 BFAA in-vitro Cc1occc1C(=O)NCc1ccccc1 60609 IMSLNUIYIGDJJZ-UHFFFAOYSA-N 215.252 2.518 0 50 BFAA O=C(Nc1ccccc1C(=O)O)c1ccccc1 97718 WXVLIIDDWFGYCV-UHFFFAOYSA-N 241.246 2.637 0 50 BFAA endogenous,in-man Cc1occc1C(=O)Nc1ccc2c(c1)OCO2 282797 CLSNBQPWMBPZCI-UHFFFAOYSA-N 245.234 2.569 0 50 BFAA O=C(CC[C@H]1CCCNC1)c1ccccc1 336758 XQQFVUWNBQFWRH-GFCCVEGCSA-N 217.312 2.649 0 50 BFAA O=C(OC1C2C=CC1C=C2)c1ccccc1 400597 NTELHPJRBBSUIJ-UHFFFAOYSA-N 212.248 2.584 0 50 BFAA in-vitro C[C@H](CN1CCCC[C@H]1CO)c1ccccc1 757477 WCNYIXOBJLGHRI-HIFRSBDPSA-N 233.355 2.637 0 50 BFAA CN(C)c1cccc(Br)c1 2168833 USEXQPWLCGBYNT-UHFFFAOYSA-N 200.079 2.515 0 50 BFAA biogenic,in-vitro O=C(O)c1c(F)ccc(C(F)(F)F)c1F 2529915 CVJDKSBPBBKDEN-UHFFFAOYSA-N 226.100 2.682 0 50 BFAA in-vitro O=C(O)Cc1ccccc1SC(F)(F)F 2560238 FVVZHMXCYDAXJG-UHFFFAOYSA-N 236.214 2.926 0 50 BFAA Cc1ccc(NC(=O)OC(C)(C)C)nc1 6667000 QSGRLGXFSNTKDV-UHFFFAOYSA-N 208.261 2.737 0 50 BFAA O=C(Nc1ccc(F)c(Cl)c1)NC1CC1 6727051 MVNXOMHBQUTVKY-UHFFFAOYSA-N 228.654 2.763 0 50 BFAA CCOc1ccc(F)cc1Br 19481159 IGEBFOLPVFBPNV-UHFFFAOYSA-N 219.053 2.987 0 50 BFAA in-vitro Cc1ccc(CNC[C@H](O)c2ccccc2)s1 19871962 RFESZRKCLAMAKV-AWEZNQCLSA-N 247.363 2.880 0 50 BFAA CC(C)[C@@H](O)c1ccc([C@H](C)C(=O)O)cc1 22060701 RMOQYHYFRKTDRI-JOYOIKCWSA-N 222.284 2.564 0 50 BFAA world CC(C)(C)OC(=O)n1ccc2cc(CN)ccc21 26896351 GSCAJWQEJGGGJL-UHFFFAOYSA-N 246.310 2.883 0 50 BFAA in-vitro O=C(O)c1cccc(/C=C/c2ccccc2)n1 28260301 MFSODSPULJWESH-MDZDMXLPSA-N 225.247 2.950 0 50 BFAA CCNC(=O)[C@@H]1C[C@H](C)CC[C@H]1C(C)C 34381101 VUNOFAIHSALQQH-GRYCIOLGSA-N 211.349 2.831 0 50 BFAA endogenous,in-man Cc1cc(N)cc(Br)c1Cl 67796610 WHDYFIIKPDGVMT-UHFFFAOYSA-N 220.497 2.993 0 50 BFAA Cc1ccc(C(=O)C2(O)CCCCC2)cc1 113412894 RGBDGFNGYYZOGV-UHFFFAOYSA-N 218.296 2.873 0 50 BFAA N[C@@H](c1ccc(C(F)(F)F)cn1)C1CC1 161684189 QJYOKZYZCBAPLS-SECBINFHSA-N 216.206 2.510 0 50 BFAA Cc1[nH]ccc1C(=O)N1CC[C@H](C)C[C@@H](C)C1 163142113 UWFKFOUCJKSKRU-WDEREUQCSA-N 234.343 2.831 0 50 BFAA CCn1c(=N)sc2c(C)ccc(OC)c21 225393939 OSXWQXAJCUMXTJ-UHFFFAOYSA-N 222.313 2.519 0 50 BFAA Cc1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@@H](CCCO)N2 601008694 SDLWMEYMPKDXIK-UXIGCNINSA-N 247.338 2.639 0 50 BFAA Cc1cccc(-c2nnc3n2CCCCCC3)n1 630951789 PALIEPOBIWSZEN-UHFFFAOYSA-N 242.326 2.765 0 50 BFAA Cc1cc(=N)[nH]cc1-c1ccc2c(c1)CCC2=O 2356167472 PVQNUKRQMXEJNY-UHFFFAOYSA-N 238.290 2.598 0 50 BFAA Cc1oc2ccc(O)c(Cl)c2c1C(=O)O 78995 LMMHHIPPKLWJIL-UHFFFAOYSA-N 226.615 2.798 0 50 BFAA Nc1cc(C(F)(F)F)ccc1N1CCCC1 91115 HPDFKXPVMXSXGE-UHFFFAOYSA-N 230.233 2.888 0 50 BFAA in-vitro O=Cc1c(-c2ccc(F)cc2)nc2ccccn12 105303 UNQZNGMFGRJLEG-UHFFFAOYSA-N 240.237 2.953 0 50 BFAA in-vitro CC(=O)CC(=O)Nc1ccc2ccccc2c1 563913 SJZXYYGWOBQVKI-UHFFFAOYSA-N 227.263 2.757 0 50 BFAA in-vitro CCOc1ncnc2c1[nH]c1ccc(F)cc12 758990 JWDRVNADBXJMGO-UHFFFAOYSA-N 231.230 2.649 0 50 BFAA CC1=N/C(=C/c2ccc(Cl)cc2)C(=O)O1 1624768 NWYIDAQFRYQRFT-UXBLZVDNSA-N 221.643 2.656 0 50 BFAA COc1ccc(C[C@H]2CCCCCN2)cc1 3734884 MYFZIZZWGXOIOK-CYBMUJFWSA-N 219.328 2.770 0 50 BFAA in-vitro CC(=O)C12CC3CC(C1)CC(C(C)=O)(C3)C2 4010824 GPMDBHIWOLWLNW-UHFFFAOYSA-N 220.312 2.751 0 50 BFAA C[C@@H](C(=O)C12CC3CC(CC(C3)C1)C2)N(C)C 4336507 KFFQBBVAEUSXKI-OWWVKFPZSA-N 235.371 2.722 0 50 BFAA O[C@H]1CCCCCCCCCC[C@@H]1O 4773244 HAMFVYJFVXTJCJ-RYUDHWBXSA-N 200.322 2.623 0 50 BFAA in-vitro Cc1ccc(NC(=O)Nc2cnsn2)cc1C 9668634 LLKIGVCGGGCQQM-UHFFFAOYSA-N 248.311 2.799 0 50 BFAA Cc1cccc(OC(=O)c2ccco2)c1 12137954 WUQNWQWNFJZXEH-UHFFFAOYSA-N 202.209 2.807 0 50 BFAA CCN(CC)c1ncccc1CNC1CCCC1 12763725 NLQOLUPERKJYMX-UHFFFAOYSA-N 247.386 2.960 0 50 BFAA CC[C@H](C)NC(=O)[C@@H](C)Oc1cc(C)ccc1C 13710108 DIKWMGQSLHGBDL-QWHCGFSZSA-N 249.354 2.985 0 50 BFAA CC[n+]1c(C)sc2c(OC)ccc(OC)c21 22015722 BXLFZNUJTCKUCD-UHFFFAOYSA-N 238.332 2.534 0 50 BFAA C[C@@H](CCc1ccccc1)N1CCCN(C)CC1 22027727 ONUJJXIXYFIVEP-HNNXBMFYSA-N 246.398 2.645 0 50 BFAA Cc1nccnc1-c1ccc(-c2ccn[nH]2)cc1 32578148 NYBFBYIDVPESNU-UHFFFAOYSA-N 236.278 2.842 0 50 BFAA COc1cccc([C@H](O)c2ccccc2)c1OC 39439126 KLNMGGVOXOVIBX-CQSZACIVSA-N 244.290 2.786 0 50 BFAA O=C1CCc2c(F)cc(Br)cc21 42405049 FVPXVDTWEBFLLE-UHFFFAOYSA-N 229.048 2.717 0 50 BFAA in-vitro CC(C)(C)NC(=O)CCc1ccc(F)cc1 60913429 LUEVQBLCUMEQKS-UHFFFAOYSA-N 223.291 2.673 0 50 BFAA C[C@@H](O)c1cccc(Br)c1F 66309201 QFVPIDFXSBXICP-RXMQYKEDSA-N 219.053 2.642 0 50 BFAA COc1ccc(-n2cc(C(F)(F)F)cn2)cc1 114181191 NAYIYZMHPDDFTO-UHFFFAOYSA-N 242.200 2.900 0 50 BFAA CCOC(=O)CC1CCN(C2CCCC2)CC1 129896174 WZCKUSYAXNCWJV-UHFFFAOYSA-N 239.359 2.594 0 50 BFAA COc1c(Cl)ccc2ccc(O)nc12 144972314 YUJKEARXYCJEKU-UHFFFAOYSA-N 209.632 2.602 0 50 BFAA C[C@H](C(=O)Nc1ccccn1)c1cccc(F)c1 173018868 NLDMDVNMFSEBES-JTQLQIEISA-N 244.269 2.963 0 50 BFAA CNC(=O)Cc1cccc(OCCC(C)(C)C)c1 187229776 XSNGRBIPWOQXTK-UHFFFAOYSA-N 249.354 2.790 0 50 BFAA C[C@@H]1OCC[C@H]1Nc1cccc2ccn(C)c12 188778800 DNJJKGRELOJJTQ-CMPLNLGQSA-N 230.311 2.768 0 50 BFAA CC(C)CCNC[C@](C)(O)c1cccs1 190766318 APBRRLNTCINVGM-LBPRGKRZSA-N 227.373 2.591 0 50 BFAA CC(C)(C)c1ccc2[nH]c(CO)cc2c1 206286894 DDAAONCHSITOFH-UHFFFAOYSA-N 203.285 2.958 0 50 BFAA C[C@H]1CCCCN1C[C@@H](O)c1ccc(F)cc1 225258581 JLGVWZSFGRLYAO-SMDDNHRTSA-N 237.318 2.734 0 50 BFAA Clc1ccc(Br)n2nccc12 238586398 MDIKVHAMUBSCSM-UHFFFAOYSA-N 231.480 2.750 0 50 BFAA C[C@H]1CCCCN(c2ncnc3[nH]ccc23)C1 274689881 JOHBOKSPOVROSC-JTQLQIEISA-N 230.315 2.584 0 50 BFAA O=C1N[C@H](c2ccccc2)C12CCCCC2 299805224 DCABXSUPCDBEKV-GFCCVEGCSA-N 215.296 2.808 0 50 BFAA CC[C@@H]1S[C@H](C)C[C@@H](OC(C)=O)[C@H]1C 584904242 JWSCWDYIUHOXAJ-OYBPUVFXSA-N 216.346 2.858 0 50 BFAA c1csc(-c2cn(CCOC3CCC3)nn2)c1 656469379 LJDFMPIVXCYPTD-UHFFFAOYSA-N 249.339 2.576 0 50 BFAA Cn1cc(-c2cnc3cc(F)ccc3c2)cn1 1240296015 SFPSTUGQBUQXRH-UHFFFAOYSA-N 227.242 2.774 0 50 BFAA CCc1cnc(C)nc1N1CCC[C@@H](C)CC1 1704343908 KXJDCKOWGFBEHP-LLVKDONJSA-N 233.359 2.974 0 50 BFAA CCCn1cc(-c2cccc3nc(O)[nH]c23)cn1 1875324086 GXQGOKXYBQQDEA-UHFFFAOYSA-N 242.282 2.542 0 50 BFAA COc1cccc(-c2csc(NC(C)=O)n2)c1 151108 ZPCBLMNNEARNKK-UHFFFAOYSA-N 248.307 2.777 0 50 BFAA Cc1oc(-c2ccc(Cl)cc2)[n+]([O-])c1C 215812 CYNQLGURBNRMRS-UHFFFAOYSA-N 223.659 2.850 0 50 BFAA C[C@H](Sc1c[nH]c2ccccc12)C(=O)O 291772 ARSBHBJXJSDBSM-ZETCQYMHSA-N 221.281 2.733 0 50 BFAA in-vitro Cc1ccc(O[C@H](C)C(=O)N2CCCC2)c(C)c1 8498993 WXCRYSDHIREVSX-CYBMUJFWSA-N 247.338 2.693 0 50 BFAA O=c1[nH]cnc2scc(-c3ccc(F)cc3)c12 8666451 DARIIFLATJJEOB-UHFFFAOYSA-N 246.266 2.791 0 50 BFAA Cc1cccc(C)c1Oc1ncccc1CN 22171104 HPBDYAJMPUDDAK-UHFFFAOYSA-N 228.295 2.949 0 50 BFAA Clc1ncncc1OCc1ccccc1 34103668 SSJCZULJHDCPOB-UHFFFAOYSA-N 220.659 2.709 0 50 BFAA C[C@H](CCCOc1ccccc1)C(=O)O 57495303 RZHFVRRFSUXIMP-SNVBAGLBSA-N 208.257 2.566 0 50 BFAA COc1cncc(-c2ccc(NC(C)=O)cc2)c1 65409452 MTQYWKAMRITVKS-UHFFFAOYSA-N 242.278 2.716 0 50 BFAA CC1(C)C[C@]1(Cn1cnnc1)c1ccccc1 65497098 AHNBCIRMTJUDMN-AWEZNQCLSA-N 227.311 2.646 0 50 BFAA O=c1cc(O)cc(-c2ccccc2Cl)o1 115020610 SSERLHBTVCBKKI-UHFFFAOYSA-N 222.627 2.666 0 50 BFAA CCc1nc2cc(F)ccc2n1C1CCNCC1 166592705 WZRGOCSQWATBBT-UHFFFAOYSA-N 247.317 2.662 0 50 BFAA Cc1c(CN[C@H]2CC(C)(C)C[C@H]2C)cnn1C 193144736 XGPQYXAKZIRKLG-MFKMUULPSA-N 235.375 2.643 0 50 BFAA Cc1ccc(Br)c(C2(N)CC2)c1 221775719 AULWWZQZDQKRPZ-UHFFFAOYSA-N 226.117 2.705 0 50 BFAA CC[C@@H]1CCCCN1CC[C@H]1CCCCN1 248022172 JPRFWBGCRQMGHE-ZIAGYGMSSA-N 224.392 2.783 0 50 BFAA COc1ccc([C@H](CC(=O)O)C(F)F)cc1 258313654 FFVSOVOUZTUIQN-VIFPVBQESA-N 230.210 2.519 0 50 BFAA COC(=O)c1c(Br)ccc(F)c1C 306991496 VFQWYLDFAIQTRZ-UHFFFAOYSA-N 247.063 2.683 0 50 BFAA Cc1ccc(-c2ncc(C)c(N(C)C)n2)c(F)c1 426624779 OTJWWUIUWAOEHK-UHFFFAOYSA-N 245.301 2.966 0 50 BFAA C=CC(=O)NCc1cnc(-c2ccccc2)s1 585124493 FTTWLAKUTUJSPY-UHFFFAOYSA-N 244.319 2.612 0 50 BFAA Cc1cc2c[nH]nc2cc1[C@H]1CC[C@@H](C)CN1 757213742 QYRMATFLZVSXTH-NOZJJQNGSA-N 229.327 2.932 0 50 BFAA CC(C)c1nsc(N[C@H](C)c2ncccn2)n1 1775985642 BEVIXSSUZLWSPE-MRVPVSSYSA-N 249.343 2.625 0 50 BFAA CCC[C@@H](C)C(=O)Nc1ccccc1C(=O)OC 30887 QIPAFWSZZFDUKG-SNVBAGLBSA-N 249.310 2.848 0 50 BFAA CCC(=O)Oc1ccc(CNC(C)(C)C)cc1 185112 QGDATNFAVLCAGX-UHFFFAOYSA-N 235.327 2.890 0 50 BFAA CC(C)(C)[C@H]1CC(=O)CN(C(C)(C)C)C1 227695 YFNMZOIVRPCXIH-JTQLQIEISA-N 211.349 2.722 0 50 BFAA CC[C@H](NC(=O)c1cccnc1)c1ccccc1 318988 GFKDOXOZCHNMPU-AWEZNQCLSA-N 240.306 2.963 0 50 BFAA NC(=O)CC1(c2cccs2)CCCCC1 337227 GNZVQVGLVZNCDW-UHFFFAOYSA-N 223.341 2.825 0 50 BFAA C[C@@H]1CCC[C@@H](NC(=O)COc2ccccc2)C1 406708 JBWQWECAMPHZCG-CHWSQXEVSA-N 247.338 2.760 0 50 BFAA CCOc1cc(OCC)c(C=O)c(OCC)c1 1555723 FXNZCYUMRHJSFP-UHFFFAOYSA-N 238.283 2.695 0 50 BFAA in-vitro CCOC(=O)/C=C/c1ccccc1Cl 1624855 ILTRCHMHGZQVGO-BQYQJAHWSA-N 210.660 2.916 0 50 BFAA in-vitro Cc1cccc2nc(-c3ccccc3)cc(=O)n12 1636777 VENOCGRRHSRJKR-UHFFFAOYSA-N 236.274 2.670 0 50 BFAA COC(=O)c1cc(Cl)ccc1Br 1719578 BIECSXCXIXHDBC-UHFFFAOYSA-N 249.491 2.889 0 50 BFAA in-vitro NCCCc1nc2cc3ccccc3cc2[nH]1 2379864 WYASJIIAIRANSQ-UHFFFAOYSA-N 225.295 2.607 0 50 BFAA CC[C@@H](Oc1cc(C)ccc1Cl)C(=O)O 2526136 IBEUMMWJCKGJFT-SECBINFHSA-N 228.675 2.890 0 50 BFAA O=Cc1cc(Cl)c(C=O)cc1Cl 2539408 XBCGIUJJUZHWMC-UHFFFAOYSA-N 203.024 2.618 0 50 BFAA CCNC/C=C/COc1ccc(C)c(C)c1 16622582 DRUOOORRXHQHGO-AATRIKPKSA-N 219.328 2.848 0 50 BFAA Cc1ccccc1-c1cccnc1C(=O)O 41226818 LVVPVMDWQNWONK-UHFFFAOYSA-N 213.236 2.755 0 50 BFAA CNc1cccc(CNC(=O)OC(C)(C)C)c1 82710765 ZQXWQYJMRPGKGM-UHFFFAOYSA-N 236.315 2.753 0 50 BFAA O[C@@H]1C=C[C@@]23C=CC=C[C@]2(CC=CC3)C1 104297698 QJHLWNOGCIAERA-RDBSUJKOSA-N 200.281 2.756 0 50 BFAA CC(C)(N)c1ccc(-c2ccno2)cc1 137790682 IPUSCJVCRRLJSY-UHFFFAOYSA-N 202.257 2.535 0 50 BFAA CN(Cc1ccc(O)cc1)Cc1ccc(O)cc1 165782347 BALLEJBYHPFDIN-UHFFFAOYSA-N 243.306 2.730 0 50 BFAA COc1ccc2c(c1)[C@@H]1[C@@H]3[C@@H]4[C@H]3[C@H]3[C@@H]([C@H]24)[C@@H]31 257358939 XLLZTEORNJNOQZ-IDSQYCKXSA-N 210.276 2.628 0 50 BFAA Cc1nnc(N2CCC[C@@H]2c2cccnc2)s1 370091788 XAAMDRCKCPMBPW-LLVKDONJSA-N 246.339 2.583 0 50 BFAA c1csc(-c2nccn2Cc2cscn2)n1 1875244340 RCFWOFBRQMMQGH-UHFFFAOYSA-N 248.336 2.511 0 50 BFAA CCn1ncc(-c2ccc(OC)c(OC)c2)c1C 2356165387 GEBDGZOBBGLRKO-UHFFFAOYSA-N 246.310 2.896 0 50 BFAA O=C1N=C(N2CCCCC2)CN1c1ccccc1 202223 FUQLJMMNTLJHCE-UHFFFAOYSA-N 243.310 2.511 0 50 BFAA COC(C)(C)c1cc(-c2ccccc2)nc(N)n1 275193 PVXZLLSYVOKTPU-UHFFFAOYSA-N 243.310 2.607 0 50 BFAA O=C(Nc1ccc(O)cc1)[C@@H]1CC=CCC1 351682 CYGUEFBLPFEAOS-SNVBAGLBSA-N 217.268 2.687 0 50 BFAA aggregator CC(C)(C)OC(=O)Nc1cccc(C(=O)O)c1 404740 SAPAUOFSCLCQJB-UHFFFAOYSA-N 237.255 2.732 0 50 BFAA Clc1ccc(CN2CCCCC2)cn1 1385153 UHTYDCOZEXBALQ-UHFFFAOYSA-N 210.708 2.721 0 50 BFAA in-vitro O=C1O[C@@H](c2ccccc2)C[C@H]1C(F)(F)F 4266469 VMFJOFAAYDXZBX-RKDXNWHRSA-N 230.185 2.853 0 50 BFAA Cc1ccc(NC(=O)c2c(Cl)cnn2C)cc1 6699425 KCKHWFZSWAMVKH-UHFFFAOYSA-N 249.701 2.634 0 50 BFAA c1ccc(CCCOC[C@@H]2CCCNC2)cc1 12137838 CASGNHPJVUDFQO-OAHLLOKOSA-N 233.355 2.635 0 50 BFAA in-vitro Fc1cc(S)ccc1Br 15442774 QWSUMJXRROQYPN-UHFFFAOYSA-N 207.067 2.877 0 50 BFAA O=C(NC1CCCC1)c1ccc(F)c(F)c1F 16625807 WBTHAQSBQKNJMR-UHFFFAOYSA-N 243.228 2.776 0 50 BFAA C[C@@H]1CN(Cc2ccc(F)cc2F)C[C@@H](C)O1 19606784 VMZLJDJODGHFPC-NXEZZACHSA-N 241.281 2.574 0 50 BFAA COc1ccc(CN[C@H]2CC[C@H](C)C2)cc1 23280206 YCQVBVSPOWIZHQ-AAEUAGOBSA-N 219.328 2.973 0 50 BFAA OCC/C=C\CCCCO[C@@H]1CCCCO1 34439011 BSDWMRHTDLMCNJ-MTMQSLQUSA-N 228.332 2.639 0 50 BFAA Cc1c(Br)ccc2c1COC(=O)N2 34458235 VSNATEZGRNWSTQ-UHFFFAOYSA-N 242.072 2.820 0 50 BFAA CCn1c(=O)n(-c2ccccc2)c2ccccc21 34614463 JINUHRQNBTUAJU-UHFFFAOYSA-N 238.290 2.812 0 50 BFAA OCCSc1ccnc2cc(Cl)ccc12 35082336 BYMMHXKKRCODPE-UHFFFAOYSA-N 239.727 2.973 0 50 BFAA CCOc1cccc(-c2cc(N)ccn2)c1 65436037 LFZODETXJODZLH-UHFFFAOYSA-N 214.268 2.730 0 50 BFAA CC(C)(C)OC(=O)Nc1ccsc1C=O 86029359 WFKLWNDDNOQFKO-UHFFFAOYSA-N 227.285 2.908 0 50 BFAA in-vitro O=C(O)c1ccc(C(F)(F)F)cc1S 149173252 IJEWNEIKCNXQQN-UHFFFAOYSA-N 222.187 2.692 0 50 BFAA Brc1ccc(C2=NOCC2)cc1 149410957 PJYQVQYRNVFRHE-UHFFFAOYSA-N 226.073 2.574 0 50 BFAA CC(=O)c1cc(Br)cc(F)c1F 216947173 VOBVHTSZADQBLD-UHFFFAOYSA-N 235.027 2.930 0 50 BFAA Cc1[nH]nc(C(F)(F)F)c1-c1cccnc1 220453160 CMWHJDWVCDBHSY-UHFFFAOYSA-N 227.189 2.799 0 50 BFAA Cc1nc(-c2cccnc2)nc2c1CCCC2 426518366 SCSBKLMANMSRCC-UHFFFAOYSA-N 225.295 2.726 0 50 BFAA Cc1c(CN(C)CC(=O)O)oc2c(C)cccc12 650513330 QKRGJZAQKUANCG-UHFFFAOYSA-N 247.294 2.566 0 50 BFAA CCc1[nH]nc2c1CN(C[C@@H]1CC=CCC1)CC2 670459206 QBOVDJHSQGBPKS-GFCCVEGCSA-N 245.370 2.687 0 50 BFAA CCN(CC)C(=N)NC12CC3CC(CC(C3)C1)C2 1615612587 HYKYZRBNANNPFM-UHFFFAOYSA-N 249.402 2.821 0 50 BFAA Cc1ccc(-c2nccn2C[C@H]2CCOC2)s1 1875246217 BDLXTEGQFQTMIT-LLVKDONJSA-N 248.351 2.957 0 50 BFAA COc1ccc(NC(=O)c2ccco2)cc1 30002 BAPQOHAPCRWHRC-UHFFFAOYSA-N 217.224 2.541 0 50 BFAA O=C(Cc1ccc(Cl)cc1)Nc1ccccn1 30754 VGDGJJWTJDNGFZ-UHFFFAOYSA-N 246.697 2.916 0 50 BFAA Cc1cc2occ(C=O)c(=O)c2cc1Cl 57968 NULJNFUEBPQUNB-UHFFFAOYSA-N 222.627 2.567 0 50 BFAA biogenic,in-vitro COc1ccc(-c2ccc(CCC(=O)O)o2)cc1 304112 ZKWNOAWLDSIWEE-UHFFFAOYSA-N 246.262 2.972 0 50 BFAA biogenic C[C@H](Nc1cccc(C(F)(F)F)c1)C(=O)O 336449 LZAHVZDWIJLOLZ-LURJTMIESA-N 233.189 2.590 0 50 BFAA CC[C@@H](C)[C@H](C(=O)N(C)C)c1ccccc1 394447 NLMQKWIDHNGIQC-YPMHNXCESA-N 219.328 2.905 0 50 BFAA CCOC(=O)c1cc2cccc(C)c2[nH]1 1017818 OQDDMWUDWUIMKB-UHFFFAOYSA-N 203.241 2.653 0 50 BFAA O=C(Oc1ccccc1)c1ccc(O)cc1 2146854 GJLNWLVPAHNBQN-UHFFFAOYSA-N 214.220 2.611 0 50 BFAA biogenic,in-vitro N[C@H](C(=O)O)c1cccc(Oc2ccccc2)c1 2582459 PTDUZBVRDQXJJC-ZDUSSCGKSA-N 243.262 2.563 0 50 BFAA in-vitro Clc1ccc([C@@]23CNC[C@@H]2C3)cc1Cl 3973106 BSMNRYCSBFHEMQ-GZMMTYOYSA-N 228.122 2.854 0 50 BFAA investigational Cc1cccc(C)c1OCCN1CCCC1 4989853 HYNFCHUIEIVIAO-UHFFFAOYSA-N 219.328 2.778 0 50 BFAA CCOC(=O)COc1ccc(Cl)c(Cl)c1 6046802 QUVDLYCGMXZLDT-UHFFFAOYSA-N 249.093 2.935 0 50 BFAA FC(F)(F)Oc1ccc2c(c1)CCCN2 19260987 LCGAVGPJGRKTCR-UHFFFAOYSA-N 217.190 2.943 0 50 BFAA in-vitro COC(=O)c1ccc(Br)c(Cl)c1 57351516 BPJMNAWSHVKGHE-UHFFFAOYSA-N 249.491 2.889 0 50 BFAA in-vitro Nc1cc(Br)c(Cl)cc1F 82292129 FAWFPJSYUUKRCM-UHFFFAOYSA-N 224.460 2.824 0 50 BFAA COCCOc1cc(Cl)ccc1C 84082836 FVETYDNPBPRCAZ-UHFFFAOYSA-N 200.665 2.674 0 50 BFAA FCCCN1CCC[C@@H](Nc2ccccc2)C1 154964244 YYHFSLFXUBXQSA-CQSZACIVSA-N 236.334 2.923 0 50 BFAA OCc1cc(Br)c(Cl)cc1F 217033189 GDQSHHAGIFSADM-UHFFFAOYSA-N 239.471 2.734 0 50 BFAA Cc1cccc(C)c1CN1C[C@@H](C)[C@H](C(=N)O)C1 334301728 YGOXQOUMGMUSNU-TZMCWYRMSA-N 246.354 2.907 0 50 BFAA CC(C)[C@@H]1CCCN(c2ncnc3[nH]ccc23)C1 443999117 XUWOZQXXKXHVIZ-LLVKDONJSA-N 244.342 2.830 0 50 BFAA C[C@H]1CCC(=O)C[C@@H]1OCc1ccco1 725359201 CFXRZHPGMXGUEQ-CABZTGNLSA-N 208.257 2.554 0 50 BFAA CC(C)(C)c1noc(-c2cccc(O)c2F)n1 1775992731 MNJUMZXLUIGCKD-UHFFFAOYSA-N 236.246 2.879 0 50 BFAA O=C(Cc1ccc(O)cc1)Nc1ccc(F)cc1 169265 NPQFAGAPBOEXHZ-UHFFFAOYSA-N 245.253 2.713 0 50 BFAA in-vitro c1cnc(Oc2ccc(-c3cc[nH]n3)cc2)nc1 170266 DUEUESIXAVJTRZ-UHFFFAOYSA-N 238.250 2.659 0 50 BFAA C[C@@H]1CCCN(C(=O)C2CCCCC2)C1 318480 NPXDSRAYXKEXAV-LLVKDONJSA-N 209.333 2.825 0 50 BFAA COc1ccc([C@@H]2CCCC[C@@H]2O)cc1 393740 FHVVYVTWZBXZBN-STQMWFEESA-N 206.285 2.714 0 50 BFAA COC(=O)NCc1cc2cc(Cl)ccc2[nH]1 1054476 QRTRNLVWHLPBJY-UHFFFAOYSA-N 238.674 2.677 0 50 BFAA Brc1cccc2ccncc12 2540586 DPRIHFQFWWCIGY-UHFFFAOYSA-N 208.058 2.997 0 50 BFAA in-vitro O=C(Cc1ccc(F)c(F)c1)C(F)(F)F 2579851 JZJKHDVRFCURQS-UHFFFAOYSA-N 224.128 2.639 0 50 BFAA COC(=O)CC(=O)c1ccc(Cl)cc1Cl 4254718 FWNFVLUGKXPFTD-UHFFFAOYSA-N 247.077 2.739 0 50 BFAA O=C1CCCCC[C@H]1CN1CCCCC1 4566976 NIXLYLANGLRDGZ-LBPRGKRZSA-N 209.333 2.622 0 50 BFAA O=Cc1cn[nH]c1-c1ccc2c(c1)CCCC2 9189799 COAYSHQWULZOAX-UHFFFAOYSA-N 226.279 2.768 0 50 BFAA in-vitro OCC[C@H](c1ccccc1)c1ccncc1 15781476 AEZMUUJPIZPVAQ-CQSZACIVSA-N 213.280 2.596 0 50 BFAA Cc1ccc(OC/C=C/Cn2ccnc2)cc1 16622875 FUPRRUSJGAALDK-NSCUHMNNSA-N 228.295 2.827 0 50 BFAA CCSCc1cccc(OC(=O)NC)c1 23114908 YZAADVDWHGZOEU-UHFFFAOYSA-N 225.313 2.658 0 50 BFAA O=C(O)c1c(Cl)cnc(Cl)c1Cl 32911397 TYMTYHMQJHSRIF-UHFFFAOYSA-N 226.446 2.740 0 50 BFAA in-vitro COCO[C@@H]1CC(C)(C)C=C1Br 43198810 ITIUHRWFUPQORO-MRVPVSSYSA-N 235.121 2.684 0 50 BFAA COCCN(Cc1ccc(C)cc1)CC1CC1 55132748 QPQMDSNGJJUXSJ-UHFFFAOYSA-N 233.355 2.853 0 50 BFAA O=C(O)[C@@]12CC=CC[C@H]1Cc1ccccc12 71773122 JVYUXASPSRCULN-FZMZJTMJSA-N 214.264 2.531 0 50 BFAA CNC(=O)Oc1cc(C)c(Cl)cc1C 71774123 RNLUYLNMAJFNNW-UHFFFAOYSA-N 213.664 2.675 0 50 BFAA Clc1cc(NCc2ncc[nH]2)nc2[nH]ccc12 72143220 HRAGVWRUDWUKRX-UHFFFAOYSA-N 247.689 2.552 0 50 BFAA Brc1cccc(OC2CC2)c1 76914426 VPUIIGWUFQSOQM-UHFFFAOYSA-N 213.074 2.990 0 50 BFAA in-vitro O=C(O)/C(S)=C/c1c[nH]c2ccc(F)cc12 100026540 HWMQHECFXSVZGN-KMKOMSMNSA-N 237.255 2.662 0 50 BFAA CC(=O)c1c(Cl)ccnc1Br 261506964 DALJXPDUXOOGAV-UHFFFAOYSA-N 234.480 2.700 0 50 BFAA CN1CCCN(Cc2ccc(Cl)s2)CC1 263806674 WHERMWPNDSZKCK-UHFFFAOYSA-N 244.791 2.539 0 50 BFAA CC(=O)N1CCCC[C@@H]1c1nc2ccccc2o1 336348203 NOWHEZXNEANJQI-GFCCVEGCSA-N 244.294 2.901 0 50 BFAA C[N@]1[C@@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 1857524914 NNCVFQYJJLNXGD-INMHGKMJSA-N 237.302 2.925 0 50 BFAA Cc1cnnc(-c2ccc(CN(C)C)cc2)c1C 2100484033 ZZNCEBXGYYFEPP-UHFFFAOYSA-N 241.338 2.822 0 50 BFAA c1ncc(-c2nc([C@H]3CCCCO3)cs2)[nH]1 2325767039 HJNMOLUIKCFICH-SNVBAGLBSA-N 235.312 2.775 0 50 BFAA O=C(OCc1cscn1)C1C2CCC1CC2 2325789123 RMJOCWNYVUJENN-UHFFFAOYSA-N 237.324 2.623 0 50 BFAA O=C(CSc1ccccc1)Nc1ccncc1 319235 TVFYMBNKTIXCGE-UHFFFAOYSA-N 244.319 2.812 0 50 BFAA COc1ccc(NC(=O)c2ccc(C)o2)cc1 473452 AODNDFMLYBTMCI-UHFFFAOYSA-N 231.251 2.849 0 50 BFAA C[C@@H](CCCCCC[C@H](C)C(=O)O)C(=O)O 2029350 HGPLPTQLYAHGDY-UWVGGRQHSA-N 230.304 2.768 0 50 BFAA C=C1c2ccc(C)cc2NC(=O)N1CC 2291379 FKZWKSDBSPEPAF-UHFFFAOYSA-N 202.257 2.833 0 50 BFAA C=Cc1ccccc1I 2571970 PSIKFNDJOGHVHP-UHFFFAOYSA-N 230.048 2.934 0 50 BFAA in-vitro CCCNC(=O)c1ccc(Br)cc1 4546069 HFHYZJDMVOCWSV-UHFFFAOYSA-N 242.116 2.589 0 50 BFAA in-vitro O=C(O)c1ccc2nc(-c3ccco3)[nH]c2c1 6740826 DIZBQMTZXOUFTD-UHFFFAOYSA-N 228.207 2.521 0 50 BFAA in-vitro O=c1nc(-c2cccs2)cc(C(F)(F)F)[nH]1 9472263 ROAZETBLNZFDDH-UHFFFAOYSA-N 246.213 2.517 0 50 BFAA Cc1ccc(OCC(=O)O)c(C(C)(C)C)c1 11957526 NGTGZHHFYCBINW-UHFFFAOYSA-N 222.284 2.756 0 50 BFAA C[C@@]1(c2ccccc2)NC(=O)c2ccccc2N1 12537672 SLVKQLFZYGGACC-HNNXBMFYSA-N 238.290 2.715 0 50 BFAA CC(C)C(=O)Nc1cc(Cl)ccc1C(=O)O 13185605 UQZGIAQVBMWVFR-UHFFFAOYSA-N 241.674 2.633 0 50 BFAA Cc1ccc2[nH]c(C3CCNCC3)nc2c1C 19737151 OPBKABDXRDKLFB-UHFFFAOYSA-N 229.327 2.647 0 50 BFAA CC[C@@H](C)N1CCN(Cc2ccccc2C)CC1 19789338 NDKIPTNYDSQZEB-OAHLLOKOSA-N 246.398 2.911 0 50 BFAA CC1(C)C(=O)Nc2ccc(Br)cc21 33468888 YCHSJOIHTKPUCQ-UHFFFAOYSA-N 240.100 2.679 0 50 BFAA in-vitro Clc1ccc([C@H]2CNCCO2)cc1Cl 37405149 DGBGARGNACEMSA-SNVBAGLBSA-N 232.110 2.654 0 50 BFAA CC(C)O[C@H]1C=CC(=O)[C@@H]1OCc1ccccc1 43763263 YBAMBZICRZSJGQ-GJZGRUSLSA-N 246.306 2.504 0 50 BFAA FC(F)c1cc(Br)ccn1 77012115 MNMLGZMORMDPJI-UHFFFAOYSA-N 208.005 2.782 0 50 BFAA in-vitro O=C1CCc2c(F)ccc(Br)c21 82420058 AIVSTGKLEISXKC-UHFFFAOYSA-N 229.048 2.717 0 50 BFAA in-vitro CCc1cnc(NCC2(C)CCOCC2)s1 162137747 FBXQQWJSKVOGJO-UHFFFAOYSA-N 240.372 2.934 0 50 BFAA Cc1cc(NC(=O)Nc2ccc(O)cc2)ccn1 186630841 PBKKXNXUADJBEA-UHFFFAOYSA-N 243.266 2.740 0 50 BFAA C[C@@H]1[C@@H](c2ccccc2O)O[C@H](C)O[C@@H]1C 239378420 OSYQUVFLQIPNCW-WTBMIXGQSA-N 222.284 2.851 0 50 BFAA biogenic CC1(C)C[C@@H]1NC(=O)Nc1cccc(C2CC2)n1 296749858 DNBRMQSDMGVXRY-NSHDSACASA-N 245.326 2.879 0 50 BFAA N[C@@H](C1CCCC1)C1(O)CCCCCCC1 958528331 MZIWGMRUMBWSJP-ZDUSSCGKSA-N 225.376 2.979 0 50 BFAA Cc1ccc(-c2nc(C)nc3c2cnn3C)cc1 1506408075 VGMXGKXTEXWMLT-UHFFFAOYSA-N 238.294 2.647 0 50 BFAA COc1ccc(OCCCN2CC[C@@H]2C)cc1 1506428517 QBYACVLZJAZHBL-LBPRGKRZSA-N 235.327 2.558 0 50 BFAA COc1ccc(CN2CCCCC2)c(OC)c1 214376 QCSAJYRIXMFUOO-UHFFFAOYSA-N 235.327 2.690 0 50 BFAA Cc1ccc(C(=O)c2ccccc2)c(O)c1 345838 KIZCNUWGIVQQBK-UHFFFAOYSA-N 212.248 2.932 0 50 BFAA in-vitro Cc1ccc(S(=O)(=O)c2ccccc2)s1 399789 BVPMGLBJHKUDDJ-UHFFFAOYSA-N 238.333 2.889 0 50 BFAA COc1ccc(NC(=O)C2CCCC2)cc1 475204 YKQPMEUETFVVNA-UHFFFAOYSA-N 219.284 2.824 0 50 BFAA Cc1cc(C)cc(C(=O)N2CCCC2)c1 496643 HYNTXNCMWKTGBM-UHFFFAOYSA-N 203.285 2.539 0 50 BFAA CCCC(=O)Oc1cn(C)c2ccccc12 1460490 JVYIBVQFERSMOP-UHFFFAOYSA-N 217.268 2.884 0 50 BFAA CCN(CC)CCOC(=O)/C=C/c1ccccc1 1610091 IOCWNULEZRQWMS-ZHACJKMWSA-N 247.338 2.585 0 50 BFAA CCOP(=O)(OCC)[C@H](O)c1ccccc1 1675913 SLNMJVMGIXUXFI-NSHDSACASA-N 244.227 2.944 0 50 BFAA CC(C)(C)OC(=O)Nc1cccc(O)c1 1756387 HJQNVUQTARSZDK-UHFFFAOYSA-N 209.245 2.739 0 50 BFAA in-vitro Cc1cc2n[nH]c(=S)n2c2ccccc12 2455595 VSUPYSJUZGXREB-UHFFFAOYSA-N 215.281 2.854 0 50 BFAA O=C(NC12CC3CC(CC(C3)C1)C2)c1ccco1 4975688 CWKHEECCFSLXIJ-UHFFFAOYSA-N 245.322 2.978 0 50 BFAA CC1(C)CC(=O)C=C(Nc2ccncc2)C1 5302698 FKJNZOXMKZXCAS-UHFFFAOYSA-N 216.284 2.767 0 50 BFAA CCc1ccc(NC(=O)c2ccn(CC)n2)cc1 6729824 IIKDBXLWYNSYRM-UHFFFAOYSA-N 243.310 2.718 0 50 BFAA Cc1n[nH]c2c1C(=O)C[C@H](c1ccc(F)cc1)C2 8914960 OQEWXPSTMAAWSP-SNVBAGLBSA-N 244.269 2.770 0 50 BFAA NC(=S)Nc1ccc(Cl)c(Cl)c1 13659118 CCNCITSJXCSXJY-UHFFFAOYSA-N 221.112 2.649 0 50 BFAA in-vitro CC(C)(C)NC(=O)c1ccc(F)c(F)c1F 23119831 UKPRCQAETGMCBB-UHFFFAOYSA-N 231.217 2.632 0 50 BFAA Cc1cnc(OC(C)C)c(Br)c1 65337521 IKMYONSIBTXMPU-UHFFFAOYSA-N 230.105 2.940 0 50 BFAA in-vitro Cc1nnc(C)n1-c1ccc(Cl)cc1 71774310 ANZAUMVKYJMMNJ-UHFFFAOYSA-N 207.664 2.538 0 50 BFAA Cc1[nH]c2ncccc2c1Br 79034617 KDAXPQWYQKHDLH-UHFFFAOYSA-N 211.062 2.634 0 50 BFAA in-vitro Cc1ccc(-c2ccc(N)nc2)cc1F 85471781 AVEONNNFSCPOOO-UHFFFAOYSA-N 202.232 2.778 0 50 BFAA CCOc1ccc(-c2c(C)n[nH]c2COC)cc1 96142014 TWFRCMXAYBGZJI-UHFFFAOYSA-N 246.310 2.930 0 50 BFAA O=C(O)c1ccc(OC(F)(F)F)cc1Cl 199483455 PIEFBVAQKLROPX-UHFFFAOYSA-N 240.564 2.937 0 50 BFAA CCc1ccc(Br)c(N)c1 224075040 GFKHQPKSQBFXEZ-UHFFFAOYSA-N 200.079 2.594 0 50 BFAA COC(=O)Cc1cc(F)cc(Cl)c1Cl 263622802 AZRYQRMLDZBRTF-UHFFFAOYSA-N 237.057 2.848 0 50 BFAA C[C@@H]1O[C@H](C)C[C@H]1NCCCNc1ccccc1 294696920 GKJWMUKUZBTDBQ-VNHYZAJKSA-N 248.370 2.644 0 50 BFAA Cc1coc(SCc2ccc(F)cn2)n1 335384541 ZHYQXRXWYSKJNU-UHFFFAOYSA-N 224.260 2.809 0 50 BFAA C[C@H](NC(=O)Cc1ccncc1)C1=CCCCC1 827989684 USIBYQXXYGKJFY-LBPRGKRZSA-N 244.338 2.629 0 50 BFAA CCc1ccc2n[nH]cc2c1Br 953021554 HGKVOECDVJNABM-UHFFFAOYSA-N 225.089 2.888 0 50 BFAA CN(C)c1ccccc1-c1cncc2nc[nH]c12 1242184750 AGUWLRGIGYHDEO-UHFFFAOYSA-N 238.294 2.691 0 50 BFAA Cc1ccc(-c2cccc(CC(=O)O)c2)nc1C 1242262725 YDCKZJRQUVNOCZ-UHFFFAOYSA-N 241.290 2.993 0 50 BFAA Cc1cnccc1CN(C)CC1(C)CCOCC1 1506429088 VCBUGSOPUSKVPY-UHFFFAOYSA-N 248.370 2.639 0 50 BFAA Cc1cc(C(=O)Nc2ccc(Cl)cc2)no1 121957 JNEIYMFQMVIDNT-UHFFFAOYSA-N 236.658 2.889 0 50 BFAA biogenic Oc1cnn(-c2ccc(Cl)cc2Cl)c1 169308 KNOFJPJDYVWHSP-UHFFFAOYSA-N 229.066 2.885 0 50 BFAA Cc1ccc(OCCn2ccnc2)cc1C 433222 LYGKFUZSRFSKDK-UHFFFAOYSA-N 216.284 2.579 0 50 BFAA Cc1ccccc1CNC(=O)Cc1ccccc1 452452 MBCANEKVKPIHFA-UHFFFAOYSA-N 239.318 2.854 0 50 BFAA CC[n+]1ccccc1/C=C\c1ccccc1O 4566462 NTVFYYIBNJTPSJ-UHFFFAOYSA-O 226.299 2.870 0 50 BFAA O=Cc1c(Br)ccc(F)c1F 21985452 LAVPYRPTHABUAD-UHFFFAOYSA-N 221.000 2.540 0 50 BFAA in-vitro Nc1cc(OCc2ccccc2)ccc1O 34240038 STOOCDNLVDBYAP-UHFFFAOYSA-N 215.252 2.553 0 50 BFAA CCCc1nc(CN(CC)Cc2ccoc2)no1 55166469 KIUKOBSUYBLFLP-UHFFFAOYSA-N 249.314 2.637 0 50 BFAA C[C@H]1[C@H](n2cnnc2)C[C@@H]2C[C@H]1C2(C)C 65375365 NFXRQNHWRFIIFH-LMLFDSFASA-N 205.305 2.521 0 50 BFAA c1ccc2c(c1)CC(NCCC[C@H]1CCOC1)C2 65470570 YAGRGNPIKIRCIE-ZDUSSCGKSA-N 245.366 2.560 0 50 BFAA CCOc1nc2ccccc2nc1Cl 71773868 SXCYPUDQWGUNHG-UHFFFAOYSA-N 208.648 2.682 0 50 BFAA O=C(O)Cc1ccc(Cl)c(Br)c1 71792958 HSOHUCYEOZTHFH-UHFFFAOYSA-N 249.491 2.730 0 50 BFAA in-vitro CCN(Cc1ccncc1)[C@@H]1CCOC(C)(C)C1 97495315 XKOHNAXUJOIQJN-CQSZACIVSA-N 248.370 2.861 0 50 BFAA COc1c(Br)cccc1[C@H](C)O 116841422 VCOGPOSOMAJBNU-LURJTMIESA-N 231.089 2.511 0 50 BFAA O=C(CCc1ccccc1)OCC(F)(F)F 123108688 APDSSBSNPWIOQN-UHFFFAOYSA-N 232.201 2.725 0 50 BFAA C[C@@H]1OCC[C@@H]1Nc1ccc2c(c1)CCC2 134053459 BYZKJCJRXJLASJ-HZMBPMFUSA-N 217.312 2.765 0 50 BFAA C[C@@H](O)c1ccc(CNc2ncccc2F)cc1 180425973 PIZQCJYSHSGLNA-SNVBAGLBSA-N 246.285 2.886 0 50 BFAA CC(=O)Oc1ccc(C)c(Br)c1 200491384 JMBXIGVVBQDOBU-UHFFFAOYSA-N 229.073 2.683 0 50 BFAA in-vitro CCCc1cc(CN(C)CCCSC)[nH]n1 215931230 MQGIHJOCOJGFEJ-UHFFFAOYSA-N 241.404 2.547 0 50 BFAA Cc1ccc([C@H]2CCCCN2CC(=O)O)cc1 237791993 MZANCAZGBGPPPM-CYBMUJFWSA-N 233.311 2.607 0 50 BFAA c1nc(N2CCC[C@@H](C3CC3)C2)c2cc[nH]c2n1 288369504 YKGBVIBUTZUXRM-LLVKDONJSA-N 242.326 2.584 0 50 BFAA O=C(Nc1ccc2nc[nH]c2c1)[C@H]1C[C@@H]1C1CC1 333065598 TYFCDTLZYYBMEV-MNOVXSKESA-N 241.294 2.548 0 50 BFAA Cc1ccc2n[nH]cc2c1[C@H]1CC[C@@H](C)CN1 757211936 KXPYYEOFEXIKDC-NOZJJQNGSA-N 229.327 2.932 0 50 BFAA O=C(Nc1cnc2ccc(F)cc2c1)C1CC1 2325815825 QYMSIMKWTBXUAF-UHFFFAOYSA-N 230.242 2.722 0 50 BFAA Nc1ccc(-c2cn3ccsc3n2)cc1 446715 RYXSOPRSCTXCTD-UHFFFAOYSA-N 215.281 2.645 0 50 BFAA in-vitro Cc1cc(OCC(=O)NC(C)C)ccc1Cl 455256 MJBLQWXJCLOIEY-UHFFFAOYSA-N 241.718 2.552 0 50 BFAA Cc1cc(N2CCCC2)c(C)cc1C=O 612804 IAYYUJCKCOLIAQ-UHFFFAOYSA-N 203.285 2.716 0 50 BFAA Cc1nn(C(C)C)c2[nH]c(C3CCOCC3)nc12 20598969 LJLDNGQNEIXDDC-UHFFFAOYSA-N 248.330 2.543 0 50 BFAA COc1cccc(F)c1-c1ccccc1C(N)=O 32578133 IPRQVLCYDKIIAQ-UHFFFAOYSA-N 245.253 2.600 0 50 BFAA Fc1c(Br)ccnc1Cl 67802790 NENRVRYZBQACQZ-UHFFFAOYSA-N 210.433 2.637 0 50 BFAA in-vitro CCC[C@H](C)N(C)CCNC(=O)OC(C)(C)C 170664228 YTRSZADCCOGAON-NSHDSACASA-N 244.379 2.632 0 50 BFAA C[C@@H]1C[C@@H]1C(=O)N(C)[C@H]1CCCC[C@H]1C 253356195 DRZPSBQCDQSQNS-WYUUTHIRSA-N 209.333 2.680 0 50 BFAA CC(C)(C)OC(=O)n1ccc(Cl)c1 261493625 GBSKGTRKGNCZCH-UHFFFAOYSA-N 201.653 2.925 0 50 BFAA C[C@@]12CCN(c3ccccn3)C[C@H]1C2(F)F 291993521 QRMCIJSYZKQQFU-MWLCHTKSSA-N 224.254 2.563 0 50 BFAA CC1(C)[C@@H]2C[C@@H]1CC=C2CN1CCC[C@@H](CO)C1 828711188 PDCQVXFZCJZERL-VHDGCEQUSA-N 249.398 2.683 0 50 BFAA Fc1ccc(-c2cnc3cnccn23)c(F)c1 2100537575 QEYILBJXCWMDAZ-UHFFFAOYSA-N 231.205 2.675 0 50 BFAA COc1ccccc1NC(=O)c1ccccc1 260451 ZHBQARHZUMHTRK-UHFFFAOYSA-N 227.263 2.948 0 50 BFAA biogenic CN(C)Cc1cccn1Cc1ccccc1 333821 LFWGWEFPIXJCOV-UHFFFAOYSA-N 214.312 2.598 0 50 BFAA NCc1ccccc1COc1ccccc1 346740 KBMVPPBKGKRHKO-UHFFFAOYSA-N 213.280 2.724 0 50 BFAA in-vitro CCCCC(OCC)(OCC)OCC 1845580 DIKAUBKIDNXNNW-UHFFFAOYSA-N 204.310 2.940 0 50 BFAA in-vitro Cc1ccc(NC(=O)Nc2cnccn2)cc1F 13321212 RKSYIVARYQVOPW-UHFFFAOYSA-N 246.245 2.568 0 50 BFAA C(=C/Cn1ccnc1)\COc1ccccc1 16623789 KCQSEJGTEHINMX-SNAWJCMRSA-N 214.268 2.518 0 50 BFAA NC1(c2cccc(Br)c2)CCC1 36379841 WIXMLWFYSVFSNY-UHFFFAOYSA-N 226.117 2.787 0 50 BFAA in-vitro CCC/C=C/c1ccc(NC2CC2)nn1 67908512 NJLFZUFHFVTPHX-SNAWJCMRSA-N 203.289 2.864 0 50 BFAA CCOCC1(CNc2nc(C)nc(C)c2C)CC1 91792869 QUHNSSXPWNZSIM-UHFFFAOYSA-N 249.358 2.630 0 50 BFAA CC(C)[C@@H]1CC[C@@H](C)CCN1C(=O)c1cc[nH]n1 117207349 QPXKETNWBMTTCQ-YPMHNXCESA-N 249.358 2.697 0 50 BFAA COc1cc(-c2ccc(C=O)cc2)ccn1 133319566 NYFCOPAJADZSLN-UHFFFAOYSA-N 213.236 2.570 0 50 BFAA CCCCCc1cc(O)cc(O)c1C=O 136878573 FFMCYBHCUWCBLJ-UHFFFAOYSA-N 208.257 2.643 0 50 BFAA C[C@H]1CCCC[C@@H]1CNc1ncnc2oncc12 225503687 QWGILTNSMCZXBD-VHSXEESVSA-N 246.314 2.856 0 50 BFAA C[C@H]1Cc2ccc(F)c(Br)c2CN1 307220390 OTVRFBVNONIQCT-LURJTMIESA-N 244.107 2.622 0 50 BFAA Cc1cnc(CN2CCC3(CCCC3)C2)cn1 670460168 XVQREKSOZVFLRP-UHFFFAOYSA-N 231.343 2.551 0 50 BFAA COc1ccc(C(=O)c2ccccc2)c(O)c1 136138 DXGLGDHPHMLXJC-UHFFFAOYSA-N 228.247 2.632 0 50 BFAA biogenic,fda COc1ccccc1[C@H](CCN)c1ccco1 141563 OTDIXAAZRDFVIV-LBPRGKRZSA-N 231.295 2.769 0 50 BFAA in-vitro Cc1ccc(I)c(F)c1 160543 XVHYSMVSLDIUCM-UHFFFAOYSA-N 236.027 2.739 0 50 BFAA in-vitro O=C(O)C[C@@H](c1ccccc1)c1ccco1 310251 SURWKZCXLRGYFM-NSHDSACASA-N 216.236 2.886 0 50 BFAA in-vitro C[C@@H](NC(=O)C(C)(C)C)c1ccccc1 409778 HBBKPRZFGXDWHG-SNVBAGLBSA-N 205.301 2.910 0 50 BFAA in-vitro O=C(Cc1ccccc1)NCc1ccc(F)cc1 451749 NCLMXWPRYXKUCE-UHFFFAOYSA-N 243.281 2.685 0 50 BFAA CCOC(=O)c1c(C)n[nH]c1Nc1ccccc1 595780 KKCODVXPLCOIJD-UHFFFAOYSA-N 245.282 2.638 0 50 BFAA O=C1N[C@]23CC=CC[C@]12CCCCCC3 1711596 VFYRKGAMLRZLPZ-CHWSQXEVSA-N 205.301 2.546 0 50 BFAA COc1ccc(OC)c([C@@H]2CCCC[C@H]2O)c1 1715774 IPBLFABLABBHLF-WCQYABFASA-N 236.311 2.722 0 50 BFAA CCCCN(CC)C(=O)Cc1ccccc1OC 2989325 LSZODZABMAFKRH-UHFFFAOYSA-N 249.354 2.886 0 50 BFAA CC1=C[C@@H](C(=O)Nc2ccccc2)CCO1 6272896 RVUAOAREEJAWAM-NSHDSACASA-N 217.268 2.565 0 50 BFAA CCC(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 6396096 FVDVWDMNBQCCDU-UHFFFAOYSA-N 248.326 2.563 0 50 BFAA Cc1cc(C)c(C(=O)NC2CC2)c(C)c1 6698732 RTDHRPOJKLNXGW-UHFFFAOYSA-N 203.285 2.504 0 50 BFAA CC(C)(C)OC(=O)Nc1ccccc1O 7610497 UQLYDIDMLDTUDL-UHFFFAOYSA-N 209.245 2.739 0 50 BFAA CCC1CCC(NC(=O)c2cccnc2)CC1 16605638 WGSQCLDFCYMCAE-UHFFFAOYSA-N 232.327 2.780 0 50 BFAA COC[C@H](N[C@H](C)c1ncc(C)s1)C(C)C 125269266 LYUGXSMQECLTEF-MNOVXSKESA-N 242.388 2.773 0 50 BFAA CC1(C)OB(OC2CCCCC2)OC1(C)C 169984013 ACCQAHOGVBNWCP-UHFFFAOYSA-N 226.125 2.925 0 50 BFAA C[n+]1cccc(-c2nc3ccccc3s2)c1 226774240 WBRICKSAKWNXTE-UHFFFAOYSA-N 227.312 2.788 0 50 BFAA O=C(O)CN1CCC[C@@H]1CCC1CCCCC1 238155627 OEQQCDPPRDCYRC-CYBMUJFWSA-N 239.359 2.896 0 50 BFAA O=C1O[C@@H]2CCCC[C@H]2[C@H]1c1ccccc1 255989847 NHZLOUXGQVISND-JHJVBQTASA-N 216.280 2.886 0 50 BFAA CO[C@@H](C)c1cccc(-c2cc(O)ncn2)c1 426519048 YZPOQBJTJYQHNC-VIFPVBQESA-N 230.267 2.557 0 50 BFAA C/C=C/c1nc(-c2ccc(CN(C)C)cc2)no1 685943133 DMLVXOJEOHXMNZ-SNAWJCMRSA-N 243.310 2.831 0 50 BFAA CC[C@@H](C(=O)O)C1CCC(F)(F)CC1 685951316 GBIYVTGHSASMIY-MRVPVSSYSA-N 206.232 2.923 0 50 BFAA COc1ccc(OC)c(-c2ccncc2OC)c1 1239665221 NYUADTPYMXMAIC-UHFFFAOYSA-N 245.278 2.774 0 50 BFAA O=C(O)CSc1ccc2cc(O)ccc2c1 187668 UQQVPWBYIHMJHL-UHFFFAOYSA-N 234.276 2.722 0 50 BFAA O=C(c1ccccc1)[C@H](O)c1ccccc1 236100 ISAOCJYIOMOJEB-CYBMUJFWSA-N 212.248 2.603 0 50 BFAA endogenous,in-man CCOc1ccc(/C=C/C(=O)NC(C)C)cc1 315047 BELXLMHGMWBWRO-JXMROGBWSA-N 233.311 2.623 0 50 BFAA CCn1ccc(C(=O)Nc2cccc(C)c2C)n1 467984 NKNAHTZPNQECQY-UHFFFAOYSA-N 243.310 2.772 0 50 BFAA CC1(C)C[C@H](C(=O)Nc2ccccc2)CCO1 522196 UZWCQCTWOKZZCM-LLVKDONJSA-N 233.311 2.830 0 50 BFAA N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1 530051 XUKFUDAFEGNTRD-GFCCVEGCSA-N 237.306 2.805 0 50 BFAA CC(C)(C)NC(=O)c1cc(-c2ccccc2)on1 815044 SHTATOWDLKGYAM-UHFFFAOYSA-N 244.294 2.870 0 50 BFAA COc1ccc(CCCCC(=O)O)cc1OC 1678807 PIVDEYCOOAOYEI-UHFFFAOYSA-N 238.283 2.501 0 50 BFAA Clc1ccccc1OC[C@@H]1CCCNC1 14628570 GWRAZMJUSPPNOH-SNVBAGLBSA-N 225.719 2.718 0 50 BFAA in-vitro CCc1cc(C(=O)NCc2cccnc2)cs1 16604899 KBJXYRSMQLAFOV-UHFFFAOYSA-N 246.335 2.636 0 50 BFAA Cc1c2cc(Br)ccc2nn1C 36533453 USVKOVKNBREERF-UHFFFAOYSA-N 225.089 2.644 0 50 BFAA in-vitro COc1ccc2c(c1)CC(C)(C)CC2=O 39343051 MAWZPNZRPKDBQI-UHFFFAOYSA-N 204.269 2.850 0 50 BFAA COc1cc(OC)c(Br)cc1F 40571640 MWJHSXFASKNIOO-UHFFFAOYSA-N 235.052 2.605 0 50 BFAA Cc1ccc(C(C)(C)N[C@H]2CCCNC2)cc1 67820837 RKEAHBREBNIYHZ-AWEZNQCLSA-N 232.371 2.572 0 50 BFAA CCC[C@]1(CO)CCCN(c2ccnc(C)c2)C1 91770051 UMYHIGJXZPWPKI-HNNXBMFYSA-N 248.370 2.769 0 50 BFAA c1ccc(NCCc2nc3ccccc3[nH]2)nc1 95618971 ACCRZMDPDLXAJR-UHFFFAOYSA-N 238.294 2.613 0 50 BFAA COc1cc(C(=O)N2CCCC2)ccc1Cl 121461064 ZJXSIJMESVBVKL-UHFFFAOYSA-N 239.702 2.585 0 50 BFAA CNc1nc(C)cc(NCc2cscc2C)n1 157043666 MIABZCCALIKJAS-UHFFFAOYSA-N 248.355 2.809 0 50 BFAA COc1ccc([C@H](CC(C)=O)OB(F)F)cc1 169805615 FBMVZCFEXCXMIO-NSHDSACASA-N 242.030 2.656 0 50 BFAA Cc1cc(C)c(NC(=O)C2CC=CC2)cc1CO 170605710 VOCAVXVPSBTHMD-UHFFFAOYSA-N 245.322 2.700 0 50 BFAA CCc1cc(C(=O)N2CCC[C@H](C)C2)ccc1O 291490366 SPEASOITNQKICP-NSHDSACASA-N 247.338 2.827 0 50 BFAA C=CC(=O)N[C@@H]1CCCCC12CCCC2 307147464 OYJRQALKYGLQFC-LLVKDONJSA-N 207.317 2.792 0 50 BFAA Cc1cccc(NCn2nnc3ccccc32)c1 366065 ADECMSOXBODSSY-UHFFFAOYSA-N 238.294 2.809 0 50 BFAA Cc1ccc(S(=O)(=O)Nc2ccccc2)cc1 394899 VLVCWODDMDGANW-UHFFFAOYSA-N 247.319 2.796 0 50 BFAA in-vitro Cc1ccc([C@@H](NC(N)=O)c2ccccc2)cc1 437188 VSCGYFLHIVGWJZ-AWEZNQCLSA-N 240.306 2.753 0 50 BFAA Cc1cccc(Nc2nc(CC(=O)O)cs2)c1 874098 HHUZFLGLWQOCPN-UHFFFAOYSA-N 248.307 2.822 0 50 BFAA C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)O 2027280 BIPAGODSEBNAJR-RXMQYKEDSA-N 235.066 2.845 0 50 BFAA CCCNC(=O)c1c(-c2ccccc2)noc1C 2950781 KNWAMIVNVXVFIO-UHFFFAOYSA-N 244.294 2.790 0 50 BFAA CC1=CC(c2ccccc2)=Nc2nonc2N1 4125164 WFADWBYYOHZVRZ-UHFFFAOYSA-N 226.239 2.520 0 50 BFAA CCOc1ccc(CNCc2ccncc2)cc1 4413586 ZDDXOJZQIBXVAN-UHFFFAOYSA-N 242.322 2.770 0 50 BFAA C[n+]1cccc2cc(C(F)(F)F)ccc21 4952565 XPCFTFIJBHHGPS-UHFFFAOYSA-N 212.194 2.683 0 50 BFAA COc1ccc(C)cc1NC(=O)C1CCC1 6395584 HOXXQUOEVYDHGM-UHFFFAOYSA-N 219.284 2.742 0 50 BFAA O[C@]12CCCC[C@H]1[C@@H](c1cccc(F)c1)NCC2 6658429 BPOGTJYMYUHWNX-ZNMIVQPWSA-N 249.329 2.781 0 50 BFAA CCNCCOc1c(C)ccc(C)c1Cl 6727347 TZTPTLDPAXQCJS-UHFFFAOYSA-N 227.735 2.945 0 50 BFAA COC(=O)c1oc2cc(OC)ccc2c1C 9028502 QGKKCLCBJUUFMC-UHFFFAOYSA-N 220.224 2.536 0 50 BFAA CC(C)NC(=O)c1cc(F)c(F)cc1Cl 12382591 FSVWZZKLMHNFBN-UHFFFAOYSA-N 233.645 2.756 0 50 BFAA NN(Cc1ccccc1)Cc1ccccc1 19167479 CZVXEAWVGZTLON-UHFFFAOYSA-N 212.296 2.563 0 50 BFAA in-vitro c1ccc(C2(c3ccccc3)NCCO2)cc1 22229414 HLHFYZNGWMQERN-UHFFFAOYSA-N 225.291 2.508 0 50 BFAA CC(C)(C)OC(=O)Nc1ccc(CCN)cc1 33465771 ALQCTARTWPEZTQ-UHFFFAOYSA-N 236.315 2.535 0 50 BFAA COc1ccc2c(c1)C(C)(C)CCC2=O 39224035 AHUQIBQLSNNYHY-UHFFFAOYSA-N 204.269 2.949 0 50 BFAA Clc1ncc(OCc2ccccc2)cn1 40448319 XOCCSJLRSSDCLM-UHFFFAOYSA-N 220.659 2.709 0 50 BFAA in-vitro CCNC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 44998537 YCCQLILCCFVQGB-LLVKDONJSA-N 249.354 2.888 0 50 BFAA O=C1c2cccnc2CN1CCC1=CCCCC1 65503008 SBSNGOJZNYOBBF-UHFFFAOYSA-N 242.322 2.928 0 50 BFAA CC[C@H]1C(=O)CCc2ccc(OC)cc21 90415235 IJYWCVPWBNPSIL-LLVKDONJSA-N 204.269 2.704 0 50 BFAA in-vitro C[C@@H](c1ccccc1)N1[C@H]2CC[C@H]1CC(=O)C2 251561532 SLZQDGLKXBERKJ-UBHSHLNASA-N 229.323 2.944 0 50 BFAA Cc1coc(SCc2cncc(F)c2)n1 336080613 FHGADGJMSXNINC-UHFFFAOYSA-N 224.260 2.809 0 50 BFAA Cc1n[nH]cc1-c1ccc(C(F)(F)F)nc1 534590844 LIUKORYZXZWDTL-UHFFFAOYSA-N 227.189 2.799 0 50 BFAA CCN1c2cc(F)ccc2C[C@H]1c1ncc[nH]1 685944343 IWLIKZLTJQBGPW-LBPRGKRZSA-N 231.274 2.673 0 50 BFAA C[C@H]1CCC[C@@H](NC(=O)Nc2cnsc2)C1 888095434 GCFBMBXPFDQKTM-DTWKUNHWSA-N 239.344 2.843 0 50 BFAA C=CC(=O)Nc1cc2c(cc1Cl)CCC2 888098825 SLZNOMHGVLAKQP-UHFFFAOYSA-N 221.687 2.953 0 50 BFAA Cc1ccc(-c2nccn2C(C)C)nc1 1875244399 IQFYXYRNGMWACX-UHFFFAOYSA-N 201.273 2.834 0 50 BFAA O=C1CCn2cnc3cccc4ccc1c2c43 41157 HBIWCEFNSGRROL-UHFFFAOYSA-N 222.247 2.776 0 50 BFAA CC(=O)c1ccc(OC(=O)N2CCCCC2)cc1 315753 KTCUXQUSLWMDEX-UHFFFAOYSA-N 247.294 2.874 0 50 BFAA O=C(CCCc1ccccc1)NCc1ccco1 458438 ZXODBNLUFJZLII-UHFFFAOYSA-N 243.306 2.919 0 50 BFAA CN(C)Cc1ccc(Br)cc1 1670057 RFEDQTSVZVRTGH-UHFFFAOYSA-N 214.106 2.511 0 50 BFAA CCOC(=O)c1cccc(-c2ccc(C=O)o2)c1 2509643 LTBBUGCIHLPXDB-UHFFFAOYSA-N 244.246 2.936 0 50 BFAA CC(C)c1ccc(/C=C(/CC(=O)O)C(=O)O)cc1 2546355 WGLOPJGFVZQPBA-GHXNOFRVSA-N 248.278 2.753 0 50 BFAA NCC1CCN(Cc2ccccc2Cl)CC1 2883770 RUSJZUMIGVPPQH-UHFFFAOYSA-N 238.762 2.511 0 50 BFAA CCCCCCNC(=O)c1ccccc1 3047732 MLDQPOXOWLCOEC-UHFFFAOYSA-N 205.301 2.997 0 50 BFAA COc1ccc(C(=O)NCc2ccco2)cc1C 13945947 URTOGSWGQQJCIJ-UHFFFAOYSA-N 245.278 2.527 0 50 BFAA FC(F)Oc1ccccc1OC(F)F 15441862 ITQCXTOQWOFOGH-UHFFFAOYSA-N 210.126 2.889 0 50 BFAA Cc1cccc(NC(=O)N2C[C@H](C)O[C@H](C)C2)c1 17886035 RDJGBTQABHBLSE-TXEJJXNPSA-N 248.326 2.636 0 50 BFAA OCc1c[nH]c(-c2cc(Cl)cc(Cl)c2)n1 38998711 YXDKULBKNLIKFC-UHFFFAOYSA-N 243.093 2.876 0 50 BFAA Nc1cc(Cl)c(Cl)nc1Br 65337567 OLDNQPYDCCDMJA-UHFFFAOYSA-N 241.903 2.733 0 50 BFAA COc1ccc([C@H](C)NC(=O)C(C)(C)C)cc1 72115604 PDZFEDNHRSUAIX-JTQLQIEISA-N 235.327 2.919 0 50 BFAA CCN(C)C1(CNc2ncccn2)CCCCC1 91321295 BCVSDKURKMENEA-UHFFFAOYSA-N 248.374 2.543 0 50 BFAA CCCOC(=O)[C@H](C)N(C)C1CCCCCC1 170639682 NHHHITDBJRCZGP-LBPRGKRZSA-N 241.375 2.983 0 50 BFAA Oc1cnc2c(F)cc(Br)cc2c1 230982580 WAPRDYRCXXSGRF-UHFFFAOYSA-N 242.047 2.842 0 50 BFAA C[C@@H](CCN[C@H]1CC[C@@H](C)[C@H](C)C1)[S@](C)=O 241439848 NMTVPBDGDFGNEL-WSGDXGOYSA-N 245.432 2.558 0 50 BFAA C[C@H]1C[C@H](C)CC[C@@H]1NCC[C@H](C)[S@](C)=O 253370257 OJRBYTJFTMKNKF-UWHVMBRKSA-N 245.432 2.558 0 50 BFAA CC1=CC(C)(C)N(C)c2cc(O)c(C=O)cc21 253496019 ZBHLTFSBHHLHSJ-UHFFFAOYSA-N 231.295 2.836 0 50 BFAA O=C(O)c1cc(C(F)(F)F)nn1C1CCCC1 409443681 RLBQIIVXPYXFIN-UHFFFAOYSA-N 248.204 2.715 0 50 BFAA Cc1ccc(C=O)c(OCC(F)(F)F)c1 601014311 QBBOCZUVCBWMRS-UHFFFAOYSA-N 218.174 2.749 0 50 BFAA C1=C[C@@H](n2ccnc2-c2cnsc2)CC1 1875247212 FVNFQWOWNQSCFT-SNVBAGLBSA-N 217.297 2.898 0 50 BFAA CN(C(=O)C1CC1)c1cnc2ccccc2c1 2325739412 WKLDHMBGJFTJEG-UHFFFAOYSA-N 226.279 2.608 0 50 BFAA Cc1cc(-c2sccc2Cl)nc(N)n1 168439 NCCNGSGPPIHEMZ-UHFFFAOYSA-N 225.704 2.749 0 50 BFAA CC[C@@H](C)c1ccccc1OCC(=O)O 359096 JHXIYIRARDDHJU-SECBINFHSA-N 208.257 2.664 0 50 BFAA in-vitro Cc1cc(C=O)c(C)n1Cc1ccccc1 615721 DRUVRRDEWCSBFW-UHFFFAOYSA-N 213.280 2.966 0 50 BFAA in-vitro CCCCCOc1ccc(CC(=O)O)cc1 2383825 YBFOFGQALYZYNQ-UHFFFAOYSA-N 222.284 2.883 0 50 BFAA C[C@H](NC(=O)NC1CCCCC1)c1ccncc1 2772632 ULXITJBFDNTQEN-NSHDSACASA-N 247.342 2.775 0 50 BFAA NCc1nc2ccccc2n1Cc1ccccc1 3627173 VEVDESVNDYRKCI-UHFFFAOYSA-N 237.306 2.543 0 50 BFAA CCC(=O)Nc1cccc2cccnc12 5027965 GCXCRDAPSXLMLW-UHFFFAOYSA-N 200.241 2.583 0 50 BFAA Nc1cccc(OCc2cccc(F)c2)c1 6678592 NWPMKTZBYHTHFA-UHFFFAOYSA-N 217.243 2.987 0 50 BFAA in-vitro CCCCS(=O)(=O)Nc1ccc(F)c(F)c1 6853785 PJJDQLAJHGQVNE-UHFFFAOYSA-N 249.282 2.507 0 50 BFAA O=c1[nH]cnc2sc(-c3ccccc3)cc12 8677675 DOGYRNXYBVJXFA-UHFFFAOYSA-N 228.276 2.652 0 50 BFAA CCOC(=O)Nc1nc2c(s1)CCCC2 13331288 NPVRVHLVKZWQRI-UHFFFAOYSA-N 226.301 2.590 0 50 BFAA COc1c(Br)cccc1C(C)=O 82046767 IBHCVANJIBGASI-UHFFFAOYSA-N 229.073 2.660 0 50 BFAA in-vitro Oc1ncnc2c(C3CC3)c(Cl)sc12 113835587 FJZRPVSJICRYRO-UHFFFAOYSA-N 226.688 2.928 0 50 BFAA c1ccc2oc(N3CCCCCO3)nc2c1 334616822 UJUSSWMFSLCZGB-UHFFFAOYSA-N 218.256 2.750 0 50 BFAA CCCc1ccc(CN(C)Cc2c[nH]nc2C)o1 584891860 CEWHJXYULXTXBD-UHFFFAOYSA-N 247.342 2.896 0 50 BFAA CC(C)(NCc1ccnc(O)c1)c1ccccc1 585137208 MFEBVFJAVDNNEU-UHFFFAOYSA-N 242.322 2.812 0 50 BFAA CC(C)(C)c1coc(CSCCCO)n1 724408205 OYRPWUVQHNVAFL-UHFFFAOYSA-N 229.345 2.588 0 50 BFAA NC(=O)c1ccc(-c2ccc(F)c(F)c2)cc1 757568599 NGYFLIPTANZPFV-UHFFFAOYSA-N 233.217 2.731 0 50 BFAA CCC[C@H](C)OC(=O)c1cnc2cnccc2c1 888097505 MMDAVRSUBYSAPY-JTQLQIEISA-N 244.294 2.975 0 50 BFAA C=CC(=O)N[C@H](c1ccc(F)cc1)C1CC1 888102324 MCTLDORPIAYQBK-ZDUSSCGKSA-N 219.259 2.579 0 50 BFAA Fc1cnc2cc(Br)cnc2c1 1857782389 IBHREQRUTYAXMS-UHFFFAOYSA-N 227.036 2.531 0 50 BFAA FC(F)=C1CCN(c2nccs2)CC1 2325764594 WESNYFOPDCGCAN-UHFFFAOYSA-N 216.256 2.894 0 50 BFAA CC(=O)Nc1ccc(NC(=O)CC(C)C)cc1 30858 UXFOKKJYLJZQMG-UHFFFAOYSA-N 234.299 2.630 0 50 BFAA S=C(Nc1ccccn1)NC1CCCCC1 124832 NJYHEQAVKAHKLU-UHFFFAOYSA-N 235.356 2.701 0 50 BFAA O=c1oc2cc(O)ccc2c2c1CCCCC2 465342 XWZHCDCMXBLZFJ-UHFFFAOYSA-N 230.263 2.768 0 50 BFAA biogenic,in-vitro Cc1ccc(NC(=O)c2ccc(C)o2)nc1 475781 GYSLRDLABUQQMW-UHFFFAOYSA-N 216.240 2.544 0 50 BFAA Cc1cc(F)ccc1NC(=O)c1ccco1 1056207 SLTUQIKVKKZMSS-UHFFFAOYSA-N 219.215 2.979 0 50 BFAA CCOCCOC(=O)Nc1ccccc1Cl 2161696 FTXOEQTZRHUUQJ-UHFFFAOYSA-N 243.690 2.925 0 50 BFAA O=C(O)c1ccc(Br)cc1Cl 2390027 JAVZWSOFJKYSDY-UHFFFAOYSA-N 235.464 2.801 0 50 BFAA in-vitro O=C1CCCCC[C@@H]1CN1CCCCC1 4566975 NIXLYLANGLRDGZ-GFCCVEGCSA-N 209.333 2.622 0 50 BFAA CN(C)CCCOc1ccc2c(c1)CCC2 4842904 ANCLLYKFOYIORL-UHFFFAOYSA-N 219.328 2.506 0 50 BFAA Cc1c(C(=O)O)cc(-c2ccc(F)cc2)n1C 6667814 OAKQOMKKKBNYCI-UHFFFAOYSA-N 233.242 2.838 0 50 BFAA c1cc(CNCc2ccc3c(c2)OCO3)cs1 7525014 LLIPZOIMNVPQKS-UHFFFAOYSA-N 247.319 2.767 0 50 BFAA Cc1c(C(=O)NC2CC2)oc2c(F)cccc12 7952860 UPLLFPSBIXCOIR-UHFFFAOYSA-N 233.242 2.773 0 50 BFAA c1cncc(CNC2CCCCCC2)c1 8419356 FTRVXHDWFVARHI-UHFFFAOYSA-N 204.317 2.894 0 50 BFAA Cc1nn(C)c2nc(Cl)cc(C(F)(F)F)c12 12336538 PSWVWFKPBJPTBW-UHFFFAOYSA-N 249.623 2.949 0 50 BFAA CN(C)[C@H]1COc2c(Cl)cc(Cl)cc2C1 96027476 JSXDODZDRXZJTN-SECBINFHSA-N 246.137 2.859 0 50 BFAA C[C@@H](CNC(C)(C)CCO)c1ccccc1 125619932 DIYVSHVRZWLQJA-LBPRGKRZSA-N 221.344 2.541 0 50 BFAA Nc1ccc(-c2ccc3ncccc3c2)nc1 149639260 OCIVBGOLIMGFRX-UHFFFAOYSA-N 221.263 2.879 0 50 BFAA Cc1cnc(COc2cccc(F)c2F)o1 150996012 MEVISNQKOWRVFE-UHFFFAOYSA-N 225.194 2.840 0 50 BFAA C[C@@H](CCN1CCC[C@H]1CO)c1ccccc1 191068736 ZWAOPSWRRKHRKN-ZFWWWQNUSA-N 233.355 2.637 0 50 BFAA c1cn2c(n1)[C@H](NC1CCC3(CC1)CC3)CC2 334622976 JKBXVQPZRKYXHE-GFCCVEGCSA-N 231.343 2.640 0 50 BFAA CC[C@H](C)CN(CC)c1ncnc2[nH]ccc12 358989454 RRYONNFEQVWVMI-JTQLQIEISA-N 232.331 2.830 0 50 BFAA CCc1nc(NCC2CCOCC2)sc1C 1615587419 LHDCADNGPFJARP-UHFFFAOYSA-N 240.372 2.852 0 50 BFAA Cc1cc(NC(=O)Nc2ccc(F)cc2)no1 137567 WAKQZUJXHQHOEF-UHFFFAOYSA-N 235.218 2.766 0 50 BFAA O=C(Cc1ccc(Cl)cc1)NCc1ccco1 227867 SBNTYLLHTPXEQK-UHFFFAOYSA-N 249.697 2.792 0 50 BFAA Cc1ccccc1NC(=O)c1c(C)noc1C 251935 YXPGOKQPAOLYAD-UHFFFAOYSA-N 230.267 2.852 0 50 BFAA Clc1ncnc2c1ncn2Cc1ccccc1 1622239 NKEFCVAMNJICJZ-UHFFFAOYSA-N 244.685 2.528 0 50 BFAA in-vitro Cc1cccc(N)c1NC(=O)OC(C)(C)C 2547916 DUMFKNCZZQVNHD-UHFFFAOYSA-N 222.288 2.924 0 50 BFAA in-vitro Nc1ccc(OC(F)(F)F)c(Cl)c1 2556419 ZPKUUNGPBSRPRM-UHFFFAOYSA-N 211.570 2.821 0 50 BFAA in-vitro C[C@H](CCSC(=N)N)c1ccccc1 4013597 NZMPACDSYWNRIW-SECBINFHSA-N 208.330 2.807 0 50 BFAA COc1cccc([C@H](C)NC(=O)[C@@H]2C[C@H]2C)c1 5696404 CXLVKRUTZUTCPU-GBIKHYSHSA-N 233.311 2.528 0 50 BFAA Cc1n[nH]c(=S)n1-c1ccc(Cl)cc1 5926994 OWLOUYHMVYBXQJ-UHFFFAOYSA-N 225.704 2.892 0 50 BFAA O=C1Nc2ccccc2/C1=C/c1ccncc1 5939494 YJIPMQPTUPEVAU-XFXZXTDPSA-N 222.247 2.574 0 50 BFAA O=C(N[C@H]1CCSc2ccccc21)C1CC1 8848258 PQBMKXHXYUHGQP-NSHDSACASA-N 233.336 2.750 0 50 BFAA Cc1ncoc1-c1nc(Cc2ccsc2)no1 20256343 ICTZUFPOMQBTBZ-UHFFFAOYSA-N 247.279 2.685 0 50 BFAA CCOC(=O)Cc1cccc2ccc(OC)cc12 34091374 VPXDDUIYFMKQBI-UHFFFAOYSA-N 244.290 2.954 0 50 BFAA CC(C)(C)OC(=O)NCc1ccc(Cl)nc1 40457269 MGMROIDEKDNQND-UHFFFAOYSA-N 242.706 2.760 0 50 BFAA CCOc1ccc(-c2ccc(C)cc2)nn1 44804409 GUTBVWPUOYVZTL-UHFFFAOYSA-N 214.268 2.851 0 50 BFAA CC(C)(C)NC(=O)Cc1cccc(Cl)c1 67786906 IGQAZRUUZYGXQI-UHFFFAOYSA-N 225.719 2.797 0 50 BFAA C1CC[C@H](CNC2CCC3(CC2)CC3)OC1 335607545 ZVIQDRHPDGOFLA-CYBMUJFWSA-N 223.360 2.868 0 50 BFAA Cc1cccc(-c2cnc3cnccn23)c1F 2356138067 GPSFKPDEFZXVDA-UHFFFAOYSA-N 227.242 2.844 0 50 BFAA O=C(Nc1ccc2c(c1)OCO2)c1cccs1 63664 WEFYRXKTLVGOFU-UHFFFAOYSA-N 247.275 2.729 0 50 BFAA Cc1ccc(C(=O)NC2CCCC2)cc1 383460 PULPYXXKSPRWDB-UHFFFAOYSA-N 203.285 2.667 0 50 BFAA CCCCNC(=O)Nc1ccccc1C 2171726 VRBUDEKTYGQXMU-UHFFFAOYSA-N 206.289 2.917 0 50 BFAA C[C@H]1C[C@@H](Nc2ccccc2)[C@H](C)CN1C 4004599 ULQYBPZNWILIFK-MBNYWOFBSA-N 218.344 2.827 0 50 BFAA CC1(C)[C@@H](O)CC[C@@]2(C)C(=O)CCC[C@H]12 5482343 AHDYLRWAUNFSSU-GBIKHYSHSA-N 210.317 2.543 0 50 BFAA CCC(=O)Nc1cccc(NC(=O)C2CC2)c1C 12983944 VXDAZOVIFGLNLG-UHFFFAOYSA-N 246.310 2.692 0 50 BFAA COc1cccc(-c2cc[nH]c(=S)n2)c1 38701069 QACKUABBDLRVIE-UHFFFAOYSA-N 218.281 2.815 0 50 BFAA c1cncc(-c2ccnc(N3CCCCC3)n2)c1 67320812 UKZVWNKPGSWMGF-UHFFFAOYSA-N 240.310 2.529 0 50 BFAA CC1(C)CC(C(=O)O)CC(C)(C)S1 145123627 HRXZTJYHVQPSQL-UHFFFAOYSA-N 202.319 2.771 0 50 BFAA O=Cc1ccc(-c2ccncc2F)cc1F 157501109 JQBYDQVPGDZVIR-UHFFFAOYSA-N 219.190 2.839 0 50 BFAA CCc1noc([C@H](C)N2C[C@H](C)C[C@@H](C)C2)n1 218922208 GSIOCPGGTNDGHV-MXWKQRLJSA-N 237.347 2.671 0 50 BFAA N[C@H]1CC[C@H](NCc2cccc(Cl)c2)CC1 252585486 IWBNDAIERBJJMR-JOCQHMNTSA-N 238.762 2.700 0 50 BFAA CS[C@H]1CCN(C(=O)c2ccc(Cl)o2)C1 292590362 VAKOBWTZQMYRPY-ZETCQYMHSA-N 245.731 2.511 0 50 BFAA C[C@@H](NC1CCCCC1)c1ccnc(O)c1 309587034 SFQSTBXXMCXTLQ-SNVBAGLBSA-N 220.316 2.771 0 50 BFAA O=c1cc(Nc2ccccn2)c2ccccc2o1 2080385720 ZWRHJXOUAHLRJB-UHFFFAOYSA-N 238.246 2.932 0 50 BFAA Cc1ccc(-c2cc(C)c(C(=O)O)c(C)n2)cn1 2356135554 JRAMSXDUGVUYCJ-UHFFFAOYSA-N 242.278 2.767 0 50 BFAA CCOC(=O)c1cc2cc(F)ccc2nc1C 65143 KISFDCXMMHLADD-UHFFFAOYSA-N 233.242 2.859 0 50 BFAA in-vitro C[C@@]12CCCC[C@H]1c1ccccc1C(=O)N2 93597 OILHGVNUGYSDRQ-GXTWGEPZSA-N 215.296 2.846 0 50 BFAA O=C1C[C@@H](c2ccccc2)c2cc(O)ccc2O1 436523 CTYPLGFAIKYKIV-LBPRGKRZSA-N 240.258 2.833 0 50 BFAA COCCCNC(=O)c1cccc2ccccc12 2748598 ZWLQWUOTGFXRHR-UHFFFAOYSA-N 243.306 2.606 0 50 BFAA O=C(O)CSc1ccc(Br)cc1 3886534 ZREFBQZGAVWLKX-UHFFFAOYSA-N 247.113 2.626 0 50 BFAA in-vitro Cc1ccc([C@@H]2NCC[C@@H]2C(=O)OC(C)C)cc1 4237882 IMFBWCNIUNNYIF-KBPBESRZSA-N 247.338 2.597 0 50 BFAA in-vitro CC1(C)[C@H](O)CC[C@]2(C)[C@@H](O)CCC[C@]12C 4825988 RRFARTUDYDSMBW-ZMJPVWNMSA-N 226.360 2.725 0 50 BFAA Nc1ccc(Cl)cc1C(=O)C(F)(F)F 16159646 NOKSRMDODJGCPZ-UHFFFAOYSA-N 223.581 2.667 0 50 BFAA in-vitro COC(=O)[C@@H](NC1CCCC1)c1cccc(C)c1 37970147 HDLHAHKHBWLHJR-AWEZNQCLSA-N 247.338 2.741 0 50 BFAA COc1ccc(Cc2ccccc2CO)cc1 38763964 NZMIPKKFRYUZNK-UHFFFAOYSA-N 228.291 2.778 0 50 BFAA Cc1cc(C2CCC2)nc(NC[C@@H]2CCOC2)n1 71762169 VNOMDPNAKNHNNM-NSHDSACASA-N 247.342 2.501 0 50 BFAA CN(C)C(=O)c1ccc(-c2ccc(N)cc2)cc1 74938302 UALKREGOHDLMRS-UHFFFAOYSA-N 240.306 2.638 0 50 BFAA in-vitro CCCCc1nc(Cn2ccnc2C(C)C)no1 120788507 NDMQDBLJSORBLD-UHFFFAOYSA-N 248.330 2.780 0 50 BFAA O=C(Oc1ccc2c(c1)CCC2=O)c1ccoc1 187577966 SELXYIPTCPJUKO-UHFFFAOYSA-N 242.230 2.628 0 50 BFAA CC(C)c1cc(CNC(=O)C[C@H]2C=CCC2)on1 223328839 WEDPRDKONZWFBK-NSHDSACASA-N 248.326 2.771 0 50 BFAA CC[C@H](C)NC(=O)N[C@@H]1CCCC[C@H]1C 239165346 NZTAKZCQLDQXAZ-OUAUKWLOSA-N 212.337 2.663 0 50 BFAA Cc1cccc(C(=O)NC2CC(F)(F)C2)c1 276972308 FYQMCPZNSPOEJM-UHFFFAOYSA-N 225.238 2.523 0 50 BFAA COc1cc(/C=C/C(=O)O)ccc1C(F)(F)F 299805317 IVXAOALQRRBBLF-HWKANZROSA-N 246.184 2.812 0 50 BFAA in-vitro C[C@@]1(NC(=O)C2CC(F)(F)C2)CC=CCC1 334520385 WZTYTGXXLLCQDT-LLVKDONJSA-N 229.270 2.647 0 50 BFAA FC1(F)CCC12CN(Cc1cccs1)C2 336617780 ABNDPUMQDNFBSZ-UHFFFAOYSA-N 229.295 2.979 0 50 BFAA Cc1cnc2nc(C3=CCCCC3)cnc2n1 426465272 SOXFZCFHCNJUMR-UHFFFAOYSA-N 226.283 2.686 0 50 BFAA O=C(O)c1cc(/C=C/Br)ccc1F 685964444 HKBJDRBLLCUWDF-ONEGZZNKSA-N 245.047 2.890 0 50 BFAA CCN(C(C)C)[C@@H]1CC(=O)CCC1(C)C 725359173 DHYMZQQEBSAZNF-GFCCVEGCSA-N 211.349 2.865 0 50 BFAA Cc1cccc(C)c1NC(=O)[C@@H]1CCCCN1C 154964 INWLQCZOYSRPNW-ZDUSSCGKSA-N 246.354 2.726 0 50 BFAA biogenic,fda Cc1nc(-c2cccs2)sc1C(=O)O 168589 DSMGYNWKEJBPKW-UHFFFAOYSA-N 225.294 2.878 0 50 BFAA in-vitro O=C(Nc1ccc(F)cc1)c1ccco1 183732 AQQZKDFBNBVLHX-UHFFFAOYSA-N 205.188 2.671 0 50 BFAA O=C(NCc1ccncc1)c1cccc(Cl)c1 289722 KMARTVRIBPTJMH-UHFFFAOYSA-N 246.697 2.665 0 50 BFAA COc1cc(Cl)nc(-c2ccccc2)n1 343503 FBTGOHDLYMJRQB-UHFFFAOYSA-N 220.659 2.806 0 50 BFAA Cc1ccc(OCC(=O)NC2CCCC2)cc1C 359598 QGDAVIRJAICWGC-UHFFFAOYSA-N 247.338 2.741 0 50 BFAA CSc1sc(=O)sc1SC 403521 ZXNVEXYJVODARP-UHFFFAOYSA-N 210.370 2.614 0 50 BFAA in-vitro CNC(=O)C(c1ccccc1)c1ccccc1 410013 DIZKGJLRHOCMTP-UHFFFAOYSA-N 225.291 2.565 0 50 BFAA biogenic COC(=O)c1cc(Cc2ccccc2)sc1N 484190 YKXDEESISYXCCS-UHFFFAOYSA-N 247.319 2.708 0 50 BFAA O=C(c1ccccc1)c1ccc2c(c1)OCO2 500912 PXAFOQOPSOGIFE-UHFFFAOYSA-N 226.231 2.646 0 50 BFAA in-vitro Cc1cc(C(=O)N[C@@H](C)c2ccncc2)cs1 1052286 AEQQUNVDOPJXJY-JTQLQIEISA-N 246.335 2.943 0 50 BFAA CCCOC(=O)Nc1ccccc1OC 2166545 OPHNXUONFFXRCX-UHFFFAOYSA-N 209.245 2.654 0 50 BFAA Cc1occc1C(=O)NCCCc1ccccc1 2747375 PKUWMTTUSBWEFC-UHFFFAOYSA-N 243.306 2.951 0 50 BFAA COc1ccc([C@H]2CCCCCN2)cc1OC 3734881 YQAZQGANGIFJDU-GFCCVEGCSA-N 235.327 2.909 0 50 BFAA COC(=O)c1cc2cc(F)ccc2s1 8729977 KMBHCZSECUMYRF-UHFFFAOYSA-N 210.229 2.827 0 50 BFAA Nc1nc2c(F)cc(Cl)cc2s1 15442797 AHFUZIIJDNCFRZ-UHFFFAOYSA-N 202.641 2.671 0 50 BFAA O=C(O)c1cc2ccccc2c(Cl)n1 20283423 OLWCTKFRPTUTGY-UHFFFAOYSA-N 207.616 2.586 0 50 BFAA in-vitro O=C(O)c1cccc2nc(Cl)ccc12 26507193 PIDMGSRYEKDYOU-UHFFFAOYSA-N 207.616 2.586 0 50 BFAA in-vitro O=Cc1ccc(Br)c(Cl)c1 34214305 LDYVDYZLCRUOTM-UHFFFAOYSA-N 219.465 2.915 0 50 BFAA in-vitro CN(Cc1ccc(Cl)cc1)C1CCNCC1 36300891 XNSSFAAFRNPCSV-UHFFFAOYSA-N 238.762 2.524 0 50 BFAA Cc1ccc(-c2cnc3cccnn23)cc1F 61905400 YUXDAGWGMUWTDS-UHFFFAOYSA-N 227.242 2.844 0 50 BFAA O=Cc1ccc(OC(F)(F)F)cc1F 91251992 DEACWPDDLIOZJV-UHFFFAOYSA-N 208.110 2.537 0 50 BFAA in-vitro CNc1nc(C(=O)OC)c(-c2ccccc2)s1 134211029 GRHILZUWRLBERL-UHFFFAOYSA-N 248.307 2.638 0 50 BFAA O=C1CCc2c1ccc(Br)c2F 146243984 CILPXFZGSHPJOA-UHFFFAOYSA-N 229.048 2.717 0 50 BFAA Nc1ncnc2ccc(-c3cccc(O)c3)cc12 148881122 LCGQENKQMLKYOP-UHFFFAOYSA-N 237.262 2.585 0 50 BFAA CC(=O)Nc1sc(N)nc1-c1ccc(C)cc1 169795013 XOWNTCRNIUJPCJ-UHFFFAOYSA-N 247.323 2.659 0 50 BFAA CC/C=C/CCSc1nncs1 185185929 JQSFTJXLVQTYMC-ONEGZZNKSA-N 200.332 2.987 0 50 BFAA C[C@@H]1CC[C@H](N[C@@H](CO)c2ccco2)C[C@H]1C 253369632 FWEBSLPARNZHNQ-NDBYEHHHSA-N 237.343 2.727 0 50 BFAA Cc1cc(C)nc(NCCC[C@H]2CCCCO2)n1 302236195 VMAFKZHDVKGBGO-CYBMUJFWSA-N 249.358 2.855 0 50 BFAA C[C@@H](C(=O)N1CC(Cc2ccccc2)C1)C1CC1 378495554 MVECCDPXNNOHLH-GFCCVEGCSA-N 243.350 2.734 0 50 BFAA CC[C@@H](C)COC(=O)C[C@@H](CN)CC(C)C 585090044 CTZMWTWKTSWMEA-NEPJUHHUSA-N 229.364 2.587 0 50 BFAA C=CC(=O)N1CC[C@H](c2cccc(Cl)c2)C1 888098997 ZIPPHMNLWMRAEF-NSHDSACASA-N 235.714 2.842 0 50 BFAA CN(C)Cc1ccc(-c2nc(C(C)(C)C)no2)o1 1615056368 JNXCZPKUBISPMD-UHFFFAOYSA-N 249.314 2.689 0 50 BFAA Oc1cc(Cc2ccccc2)nc(CC2CC2)n1 1776004375 RBRWTNSSZXLQLK-UHFFFAOYSA-N 240.306 2.726 0 50 BFAA CCOc1ccccc1NC(=O)c1ccco1 29989 YZTYAZQJDFXJEW-UHFFFAOYSA-N 231.251 2.931 0 50 BFAA CCC[C@@H](C)NC(=O)c1ccc(NC(C)=O)cc1 30375 ONDSPLWAURSXSA-SNVBAGLBSA-N 248.326 2.563 0 50 BFAA COc1ccc(C(O)c2ccc(OC)cc2)cc1 56478 ZODAOVNETBTTJX-UHFFFAOYSA-N 244.290 2.786 0 50 BFAA in-vitro Cc1cc(C)c(NC(=O)c2cnn(C)c2)c(C)c1 371785 ABXMCKMEGPJYSS-UHFFFAOYSA-N 243.310 2.598 0 50 BFAA c1ccc(CC[C@@H]2NCCn3cccc32)cc1 2464493 CLZWYXPUVGOCAR-AWEZNQCLSA-N 226.323 2.765 0 50 BFAA Cc1ccc2nc(-c3ccccc3)c(N)n2c1 3888345 KZSXZCYHPTZFMB-UHFFFAOYSA-N 223.279 2.892 0 50 BFAA CNc1c(Cl)c(F)nc(F)c1Cl 4105456 RALRHMDYHYIJLG-UHFFFAOYSA-N 213.014 2.708 0 50 BFAA COc1ccc(-c2csc(N)n2)c(F)c1 4134816 XXOPNCIEDFPXIG-UHFFFAOYSA-N 224.260 2.540 0 50 BFAA O=C(O)C[C@@H](c1ccccc1)c1ccccc1O 5489135 MTZAQHDJUHDYAN-ZDUSSCGKSA-N 242.274 2.999 0 50 BFAA CCn1c(-c2cccc(OC)c2)n[nH]c1=S 5967889 OZWCNURSMYNBPE-UHFFFAOYSA-N 235.312 2.636 0 50 BFAA CCc1ccccc1-n1c(C)n[nH]c1=S 6395273 DBEPXHARNHULQP-UHFFFAOYSA-N 219.313 2.801 0 50 BFAA C[C@]1(c2ccccc2)NC(=O)c2ccccc2N1 12537673 SLVKQLFZYGGACC-OAHLLOKOSA-N 238.290 2.715 0 50 BFAA C(CCC1=NCCS1)CC1=NCCS1 71773846 KQAOZTSMZLTPRA-UHFFFAOYSA-N 228.386 2.837 0 50 BFAA CN[C@@]1(c2ccc(Cl)s2)CCCCC1=O 96027673 CFGSUXYOVKFGTI-NSHDSACASA-N 243.759 2.959 0 50 BFAA Cc1ncc(C(=O)NC2CCCCCCC2)cn1 97655354 CCFOPBQFLJATNA-UHFFFAOYSA-N 247.342 2.628 0 50 BFAA C[C@H](Nc1cc(Cl)ncc1N)C(F)(F)F 222001554 MBRRDFXBHVJDTH-BYPYZUCNSA-N 239.628 2.680 0 50 BFAA c1nc(N2CCC3(CCC3)CC2)c2cc[nH]c2n1 367874199 LYLMNLBZTZUKPP-UHFFFAOYSA-N 242.326 2.728 0 50 BFAA Cc1[nH]nc(C2CC2)c1-c1ccc(N(C)C)nc1 426555647 PFVBFHPQSCIZOC-UHFFFAOYSA-N 242.326 2.724 0 50 BFAA COc1ccc(N[C@H]2COC[C@H]2C)cc1Cl 687996756 KRPUYNMAUAYVBK-KCJUWKMLSA-N 241.718 2.795 0 50 BFAA O=Cc1cc(-c2ccncc2F)cs1 725242454 GPLHRMXQXLLUPA-UHFFFAOYSA-N 207.229 2.762 0 50 BFAA C=CC(=O)NCC(C)(C)C1CCCCC1 1353214956 JVTMCYAHGKCKGW-UHFFFAOYSA-N 209.333 2.895 0 50 BFAA CCc1nccn1C[C@@H](C)N(C)Cc1ccoc1 1506399726 CSDCZPURWLCZJX-GFCCVEGCSA-N 247.342 2.559 0 50 BFAA Cc1ccc(-c2nccn2C[C@@H]2CCOC2)s1 1875246218 BDLXTEGQFQTMIT-NSHDSACASA-N 248.351 2.957 0 50 BFAA CC1(C)[C@H](C(F)(F)F)CCN1C(=O)C12CC1C2 1875361897 HAQRWGZHFJCORO-JKDSDDBFSA-N 247.260 2.586 0 50 BFAA COc1cc2oc(=O)cc(C)c2cc1Cl 278231 OKSSQQBNCPWKGZ-UHFFFAOYSA-N 224.643 2.763 0 50 BFAA biogenic CCN(CC)C(=O)Nc1cccc(C)c1 395302 GUGHLWLSPZRAGF-UHFFFAOYSA-N 206.289 2.869 0 50 BFAA COC(=O)Nc1cccc(Cl)c1OC 398021 UFRZDPPSCMCODA-UHFFFAOYSA-N 215.636 2.527 0 50 BFAA Cc1cccc2cc(CO)c(Cl)nc12 421634 GQLHTRIZUUCKGQ-UHFFFAOYSA-N 207.660 2.689 0 50 BFAA in-vitro COc1c(Cl)cc(C(=O)N2N=N2)cc1Cl 528102 QOGFOLVYYGLEGH-UHFFFAOYSA-N 246.053 2.740 0 50 BFAA Cc1cc(N)n(-c2ccc(C)c(Cl)c2)n1 529032 RQSIXJBWUWRVKB-UHFFFAOYSA-N 221.691 2.725 0 50 BFAA in-vitro Cc1cccc(-c2ccc(C(=O)O)o2)c1 569363 NQJYIMVBENPXIB-UHFFFAOYSA-N 202.209 2.953 0 50 BFAA COc1cccc(C(=O)OCc2cncs2)c1 1403730 XBUYYWZPQDZGQZ-UHFFFAOYSA-N 249.291 2.509 0 50 BFAA CC1(C)CC(=O)c2c(nc3ccccc3c2N)C1 2468749 RFXDMILSJZCTDQ-UHFFFAOYSA-N 240.306 2.972 0 50 BFAA biogenic O=C(O)Cc1cc(Cl)ccc1Br 2530712 ZPSZXWVBMOMXED-UHFFFAOYSA-N 249.491 2.730 0 50 BFAA in-vitro Cc1cc(C)cc(C(=O)N[C@@H](C)[C@H]2CCCO2)c1 16604693 MFDLETVRXNHKDX-GXTWGEPZSA-N 247.338 2.601 0 50 BFAA CNCc1scnc1-c1ccccc1 22864194 GUVNEOPSLYRNRM-UHFFFAOYSA-N 204.298 2.530 0 50 BFAA COC(=O)c1cc2cccc(OC)c2s1 39401085 IOENHOOGSLPMNR-UHFFFAOYSA-N 222.265 2.697 0 50 BFAA in-vitro CN(C)c1cc(C(F)(F)F)cc(Cl)n1 44154535 OKEZJJABVTWCBK-UHFFFAOYSA-N 224.613 2.820 0 50 BFAA C[C@@H](C1CCCCC1)n1c(C2CC2)n[nH]c1=O 65403574 SXLHFXJWRNYBID-VIFPVBQESA-N 235.331 2.590 0 50 BFAA CCOC(=O)c1cc(C(F)(F)F)cc(C)n1 148054017 NYQKUPGLWQUPHD-UHFFFAOYSA-N 233.189 2.586 0 50 BFAA CCNc1cnn(-c2ccccc2)c1C 241316755 LUQBTWXWJKRCEP-UHFFFAOYSA-N 201.273 2.613 0 50 BFAA CCc1c(-c2ccc(OC)cc2OC)cnn1C 426518345 PWADDYQPCRUUCU-UHFFFAOYSA-N 246.310 2.667 0 50 BFAA CC(C)SC(=O)[C@H](C)NC(=O)OC(C)(C)C 514252352 CTWRMZPOOHRGFV-QMMMGPOBSA-N 247.360 2.568 0 50 BFAA CCCOc1ccc(-c2cccc(N)c2)nn1 584904570 CNYNESKMZBAXGV-UHFFFAOYSA-N 229.283 2.515 0 50 BFAA O=Cc1cccc2ncc(Br)cc12 584907076 MYXMFXWNVBPPDR-UHFFFAOYSA-N 236.068 2.810 0 50 BFAA C=CC(=O)N[C@@H](c1ccc(F)c(C)c1)C1CC1 1335324446 PQJYBASGTIOGCA-CQSZACIVSA-N 233.286 2.887 0 50 BFAA O=C(O)c1scc(Br)c1Cl 1857783391 KKVQEKKMAKSARR-UHFFFAOYSA-N 241.493 2.862 0 50 BFAA O=C(O)c1ccc(-c2ccc(F)cc2)o1 174041 CEPXYOAURAQQGM-UHFFFAOYSA-N 206.172 2.784 0 50 BFAA in-vitro O=C(O)c1cc(Cl)cc(Br)c1 2013301 PBRRUJWXRUGGAW-UHFFFAOYSA-N 235.464 2.801 0 50 BFAA in-vitro Cc1c(Br)csc1C(=O)O 2511148 TUVDPNVBUMLEHW-UHFFFAOYSA-N 221.075 2.517 0 50 BFAA CCCCNC(=O)c1ccccc1NC(=O)CC 4814352 TWGUNLSWPDJTEB-UHFFFAOYSA-N 248.326 2.565 0 50 BFAA CCN(CC)C(=O)NC1CCCCCC1 4867462 MUUMFXJSXHYPMI-UHFFFAOYSA-N 212.337 2.761 0 50 BFAA CC1CCN(CC(=O)c2cccs2)CC1 5699485 AXIKEYHTGHVOHD-UHFFFAOYSA-N 223.341 2.663 0 50 BFAA in-vitro COC(=O)CCNc1cccc2ccccc12 7499992 CXNYTJOBIQYVJJ-UHFFFAOYSA-N 229.279 2.815 0 50 BFAA CCCCC(=O)Nc1cccc(C(=O)O)c1C 20136568 KWESINPAZIUPIZ-UHFFFAOYSA-N 235.283 2.822 0 50 BFAA CCCc1nc2c(C)cc(C(=O)O)cc2[nH]1 21298136 XWAJTVCEILFDGU-UHFFFAOYSA-N 218.256 2.522 0 50 BFAA in-vitro Cc1ccc(CN2CCC[C@@H](CO)C2)c(C)c1 23114933 NLFSFYBJGABOMP-CQSZACIVSA-N 233.355 2.508 0 50 BFAA Oc1ccccc1-c1cn2ccccc2n1 32237972 FURHXLBXCVQCNL-UHFFFAOYSA-N 210.236 2.707 0 50 BFAA N[C@@H]1CSCc2ccc(Br)cc21 35269711 DNBHJHRJTJNRNF-SECBINFHSA-N 244.157 2.696 0 50 BFAA in-vitro CCOC(=O)c1c(C)cc(Cl)nc1Cl 82046542 IZRKHJUVHZLWLL-UHFFFAOYSA-N 234.082 2.874 0 50 BFAA C[C@@H]1C[C@@H](C)[C@@](O)(c2ccccc2)C(C)(C)N1 96026963 RBOMJTWXFDAZJC-LALPHHSUSA-N 233.355 2.671 0 50 BFAA CC(C)Oc1cccc(COc2cnn(C)c2)c1 193530295 LSSNCSIIIJFBDT-UHFFFAOYSA-N 246.310 2.786 0 50 BFAA c1ccc([C@@H]2COC(Cc3ccccn3)=N2)cc1 219627395 QHDYXGFBKSWSIR-AWEZNQCLSA-N 238.290 2.794 0 50 BFAA CCC[C@@](C)(O)CNC(=O)c1ccc(C)c(C)c1 224694360 JVUKCAROPWUCEI-OAHLLOKOSA-N 249.354 2.584 0 50 BFAA CC1(C)C[C@H](O)[C@@]23CC[C@H](O)[C@@](C)(CC[C@@H]12)C3 229762547 BWXJQHJHGMZLBT-ZCRGAIPPSA-N 238.371 2.725 0 50 BFAA biogenic FC1(F)CCC(NCc2ccccn2)CC1 335918608 NOQUNOLTQHPJEQ-UHFFFAOYSA-N 226.270 2.749 0 50 BFAA Cc1nc(C)c(CN2C[C@H]3CCC[C@@H]32)s1 336348466 FTZWBADHMPTTAG-MNOVXSKESA-N 222.357 2.744 0 50 BFAA CC[C@@]1(C(=O)OC)O[C@]1(C)c1ccc(C)s1 669382352 GPSUPBKLCLTVKN-NEPJUHHUSA-N 240.324 2.624 0 50 BFAA Cc1nc(C2OCCO2)sc1-c1ccncc1 1616036066 GTLXOXDJLSMMDR-UHFFFAOYSA-N 248.307 2.559 0 50 BFAA O=C(CC1=CCCC1)N1CC(c2ccccn2)C1 1857694408 APGNABDHLQIOCE-UHFFFAOYSA-N 242.322 2.508 0 50 BFAA Cc1cc(-c2nncc(C)c2C)ccc1O 1900169263 JGIMYZCOBYYQAF-UHFFFAOYSA-N 214.268 2.774 0 50 BFAA O=C(/C=C/c1ccco1)N1CCc2ccccc21 272672 XFJDULHCELCQOW-BQYQJAHWSA-N 239.274 2.882 0 50 BFAA O=Cc1ccc(Cn2cnc3ccccc32)cc1 337621 BSRNAEAEMHMUNW-UHFFFAOYSA-N 236.274 2.897 0 50 BFAA CC(C)(O)c1c(F)c(F)c(F)c(F)c1F 1627129 KGZQNFRUGHFDNR-UHFFFAOYSA-N 226.144 2.610 0 50 BFAA in-vitro CC(=O)c1c(Cl)c(Cl)cc2c1OCCO2 3883601 IILYXHAHYKTHBH-UHFFFAOYSA-N 247.077 2.967 0 50 BFAA Nc1ccc2ncc(Br)cc2c1 4342645 XOXNGIYWQRRRPW-UHFFFAOYSA-N 223.073 2.580 0 50 BFAA in-vitro Cc1n[nH]c(SCc2ccc(F)cc2)n1 5730075 LTDOWKQPBKOUAR-UHFFFAOYSA-N 223.276 2.545 0 50 BFAA Fc1ccc(-c2noc(-c3cccnc3)n2)cc1 6728859 LRJHMLOOBFGZQV-UHFFFAOYSA-N 241.225 2.938 0 50 BFAA c1ccc2c(c1)CCN(Cc1ccoc1)C2 22779424 BDVBCVLZUVZSBJ-UHFFFAOYSA-N 213.280 2.838 0 50 BFAA Cc1cc(Cl)ccc1CN[C@@H](C)CCO 129781523 BPJIQZUZZGWYKW-JTQLQIEISA-N 227.735 2.509 0 50 BFAA COc1ccc([C@H]2ON[C@H](C)C=C2C)cc1 139820335 NDOWTCJTXMFCSO-MFKMUULPSA-N 219.284 2.606 0 50 BFAA CCOCCNc1ccnc2c(F)cccc12 170608302 UUYIDSVLQYABFB-UHFFFAOYSA-N 234.274 2.822 0 50 BFAA C[C@@]1(C(=O)O)CCCc2ccc(F)cc21 220063711 FIFABBAZDKTUKZ-GFCCVEGCSA-N 208.232 2.504 0 50 BFAA C[C@H](O)C[C@H](C)CN[C@@H]1CC[C@H](C)[C@@H](C)C1 253369838 IQXHOTIPBGZYRD-HTVCTNPSSA-N 227.392 2.808 0 50 BFAA C[C@@]1(c2nc(-c3ccon3)no2)CC=CCC1 333791822 DNJMPWMROFOURQ-GFCCVEGCSA-N 231.255 2.722 0 50 BFAA Cc1cc(F)cc(-c2ncccc2C(=O)O)c1 534642188 TUHAHTYJPRRXGM-UHFFFAOYSA-N 231.226 2.894 0 50 BFAA Ic1ccc2[nH]ccc2c1 81090 TVQLYTUWUQMGMP-UHFFFAOYSA-N 243.047 2.773 0 50 BFAA in-vitro CC(C)Cn1c([C@@H](C)O)nc2ccccc21 210231 AJEPMHCNHZHBDI-SNVBAGLBSA-N 218.300 2.746 0 50 BFAA CCCN1CCC(N2CCCC[C@@H]2C)CC1 280376 ZQTVXCHWJBAUDF-ZDUSSCGKSA-N 224.392 2.735 0 50 BFAA O=C(O)CCc1cccc(OC(F)(F)F)c1 2244170 WGEVFUNNEITJFQ-UHFFFAOYSA-N 234.173 2.602 0 50 BFAA in-vitro C[C@@H]1CCCCN1Cc1nc2ccccc2n1C 4386057 CPCJRACHMCFXKA-GFCCVEGCSA-N 243.354 2.948 0 50 BFAA COc1ccc(CN2CCC[C@H](C)C2)cc1OC 4988909 KRJUFUUNGOOPIN-LBPRGKRZSA-N 249.354 2.936 0 50 BFAA CCCc1nnc(S)n1Cc1ccc(C)cc1 6400094 VVZHCNAIQIVWLD-UHFFFAOYSA-N 247.367 2.876 0 50 BFAA COc1ccccc1/C=C/c1cnccn1 6424797 SJLUMZJBWQRCBV-VOTSOKGWSA-N 212.252 2.656 0 50 BFAA CC(=O)Nc1ccc(NC(=O)C(C)(C)C)cc1 7598431 QHKGAURSZFHTPH-UHFFFAOYSA-N 234.299 2.630 0 50 BFAA Cc1cccc(O[C@H](C)C(=O)N2CCCC2)c1C 12928353 OSWHCUAQMODDJJ-CYBMUJFWSA-N 247.338 2.693 0 50 BFAA COC(=O)C1(c2ccccc2Cl)CC1 15014928 SNTYXFDCYIKTGB-UHFFFAOYSA-N 210.660 2.545 0 50 BFAA COc1cc(F)ccc1-c1ccnc2ccnn12 32093658 MQCCXLYGSWRZDN-UHFFFAOYSA-N 243.241 2.544 0 50 BFAA CCc1ccc(CC(=O)NC2CCCC2)cc1 71376483 GPIDCJJAUYETED-UHFFFAOYSA-N 231.339 2.850 0 50 BFAA c1ccc2c(c1)CC[C@H]2N[C@H]1CCCOCC1 86869901 BPAQMNOJPQXUMK-DZGCQCFKSA-N 231.339 2.833 0 50 BFAA O[N+]1=N[C@@H]2CCCC[C@@H]2N1OCc1ccccc1 225408745 MZCLJZKRZNXEFJ-OLZOCXBDSA-N 248.306 2.514 0 50 BFAA CC(C)(C)c1cnc(CNc2cnccn2)s1 279638147 VMHBRPGXDNFAPN-UHFFFAOYSA-N 248.355 2.843 0 50 BFAA Cc1cc(C(=O)N[C@@H]2CC[C@@H](F)C2)oc1C 334276011 NENLOPRTRVFFAW-NXEZZACHSA-N 225.263 2.517 0 50 BFAA COc1nccc2cc(NC(=O)C3CC3)ccc12 568721826 MPVPBDGASUMYCJ-UHFFFAOYSA-N 242.278 2.592 0 50 BFAA COc1ccc(-c2ccccc2C=O)cc1C=O 725242643 PTWFTSZHKNTVRO-UHFFFAOYSA-N 240.258 2.987 0 50 BFAA Fc1cc(-c2ncccn2)c2ncccc2c1 1506395858 ACASPLXLBFCSQT-UHFFFAOYSA-N 225.226 2.831 0 50 BFAA CC(C)(C)OC(=O)NCc1n[nH]c2ccccc12 1848351614 DQTBKOYAGIXDLU-UHFFFAOYSA-N 247.298 2.588 0 50 BFAA c1ccc2cc(-c3cnc4nonc4n3)ccc2c1 1848444195 UKTAEPCEYQNBLY-UHFFFAOYSA-N 248.245 2.833 0 50 BFAA C=CC(=O)N(CCc1ccccn1)CC(C)(C)C 1875376316 SFPNMXDTEORVLO-UHFFFAOYSA-N 246.354 2.685 0 50 BFAA C[C@H]1CC(F)(F)CN1c1ccc2cccnc2n1 2325780936 ZZAROJZXHAZCNW-VIFPVBQESA-N 249.264 2.864 0 50 BFAA C[C@H](O)[C@@H](C)CCCCC[C@H]1CCC(=O)O1 2332918126 AVWSRVAFDWTTIH-SRVKXCTJSA-N 228.332 2.659 0 50 BFAA CCc1cc(=O)oc2c(C)c(OC)ccc12 186413 XZWGMKAUYXISLI-UHFFFAOYSA-N 218.252 2.672 0 50 BFAA biogenic Cc1ccc([C@@H]2NCC[C@]3(O)CCCC[C@H]23)cc1 235362 YQDZCQUVNRHELP-OWCLPIDISA-N 245.366 2.951 0 50 BFAA biogenic CCNC(=S)Nc1ccc(C)c(C)c1 315404 HVFFCAJQMQNRGK-UHFFFAOYSA-N 208.330 2.610 0 50 BFAA CC(C)Cc1ccc(-c2cc(N)n[nH]2)cc1 4243220 KQJFZAKQQVPXDJ-UHFFFAOYSA-N 215.300 2.857 0 50 BFAA CCCCCCOC(=O)c1ccncc1 15442190 MKYNICZKXITARB-UHFFFAOYSA-N 207.273 2.819 0 50 BFAA Cc1cc(C(F)(F)F)cc(-c2cc[nH]n2)n1 67846918 RKBVVZIQNIOVHY-UHFFFAOYSA-N 227.189 2.799 0 50 BFAA Fc1ccc2nnn(C3CCCC3)c2c1 85477259 WBYLLWQKDZVUOV-UHFFFAOYSA-N 205.236 2.686 0 50 BFAA in-vitro COC(=O)c1cccc2c(Cl)ccnc12 91692912 ZXZRJIYXWZTSJH-UHFFFAOYSA-N 221.643 2.675 0 50 BFAA COc1ccc2c(c1)[C@@H]1CN=C3CCCC[C@@]31O2 96027962 DRKPIHKTIRPCSV-WFASDCNBSA-N 243.306 2.939 0 50 BFAA Clc1cc(Br)c2c(c1)CCNC2 126654997 KMCZSPFRQATJFC-UHFFFAOYSA-N 246.535 2.748 0 50 BFAA Clc1ccc2nc(Br)[nH]c2c1 149222171 IAEGJEFWTVJXPB-UHFFFAOYSA-N 231.480 2.979 0 50 BFAA in-vitro COC(C)(C)CNC[C@@H](C)c1ccccc1 158960007 CSKVCNJMCBJEKH-GFCCVEGCSA-N 221.344 2.805 0 50 BFAA COc1cccc(Cl)c1CNc1ncccn1 170603094 DJGMNHDJHIGCQI-UHFFFAOYSA-N 249.701 2.751 0 50 BFAA C1COC[C@H](N[C@H]2CCCC23CCCC3)C1 328061252 BNGBAEXONFHZLQ-OLZOCXBDSA-N 223.360 2.868 0 50 BFAA CC(C)c1cc(Br)ccc1C(N)=O 694948739 QKPLSMIHHVYIRH-UHFFFAOYSA-N 242.116 2.671 0 50 BFAA CC[C@@H](C(=O)NC1(CC)CCCC1)N(C)CC 952866817 FCTSAXBEUXZIPC-LBPRGKRZSA-N 240.391 2.556 0 50 BFAA CC(C)CCc1nc(O)cc(CC2CC2)n1 1776004596 URGGHLUUBOMTGZ-UHFFFAOYSA-N 220.316 2.723 0 50 BFAA CC[C@H](COC)n1cc(-c2ccc(C)cc2)nn1 2325772765 CBGYEIZEFGVJRL-CYBMUJFWSA-N 245.326 2.851 0 50 BFAA O=C(Nc1ccccc1)c1ccccc1O 2057 WKEDVNSFRWHDNR-UHFFFAOYSA-N 213.236 2.645 0 50 BFAA biogenic,in-man CCOC(=O)COc1ccc2ccccc2c1 122669 MKYNTNDECGNSGX-UHFFFAOYSA-N 230.263 2.782 0 50 BFAA Cc1ccc(NC(=O)NC(C)C)cc1C 396732 SLHQUHLESBRWPQ-UHFFFAOYSA-N 206.289 2.833 0 50 BFAA O=C(Nc1ccccc1O)NC1CCCCC1 409062 IQUBMVDKJOJRJK-UHFFFAOYSA-N 234.299 2.846 0 50 BFAA CCCCC(=O)Nc1ccc(OC)c(OC)c1 2969028 LKTACGFAIMHOTC-UHFFFAOYSA-N 237.299 2.833 0 50 BFAA CC(C)(C)[C@@H]1C[C@H](O)CN(C(C)(C)C)C1 4011308 SXCPSDUKJOOIEW-MNOVXSKESA-N 213.365 2.514 0 50 BFAA C[C@H]1CN([C@@H]2CCC[C@@H](C)C2)C[C@@H](C)O1 4612751 WUHLISYYNMBQLL-FVCCEPFGSA-N 211.349 2.674 0 50 BFAA Cc1ccc(NC(=O)c2cccnc2)cc1F 4820396 GEUSEDAJCPFTHO-UHFFFAOYSA-N 230.242 2.781 0 50 BFAA O=C1N[C@@]23CC=CC[C@]12CCCCCC3 5179832 VFYRKGAMLRZLPZ-OLZOCXBDSA-N 205.301 2.546 0 50 BFAA C[C@@H]1CCCCN1C[C@H](O)c1ccccc1 7001225 OAOFQUQSNBKOGF-OCCSQVGLSA-N 219.328 2.594 0 50 BFAA Nc1nccc2c(Br)cccc12 26507160 ATENCABMFYJWGZ-UHFFFAOYSA-N 223.073 2.580 0 50 BFAA in-vitro Cc1ccc(C)c(CC(=O)Nc2cccnc2)c1 30753490 QTPFIAXIFGRGMD-UHFFFAOYSA-N 240.306 2.880 0 50 BFAA CCc1nc(NC)c2c3c(sc2n1)CCC3 41090160 PJPUFNFHGYISBH-UHFFFAOYSA-N 233.340 2.784 0 50 BFAA C[C@@H]1c2cc3ccccc3cc2S1(=O)=O 45027655 SLHSKYQPKSHENQ-MRVPVSSYSA-N 218.277 2.688 0 50 BFAA CCOc1ccccc1CNC(=O)C1CCCC1 53163258 RAMYKNJDDLLTME-UHFFFAOYSA-N 247.338 2.892 0 50 BFAA COC(=O)c1cccc(-c2cccc(C)n2)c1 65410344 MZEYCZYYYHNSFG-UHFFFAOYSA-N 227.263 2.844 0 50 BFAA COCc1ccc(-c2nc3ccccc3[nH]2)o1 67772254 QPKJFDXVGDWIMQ-UHFFFAOYSA-N 228.251 2.969 0 50 BFAA CCCc1nnc(-c2ccc(C=O)cc2)o1 71789965 IWWDYPJUMXRUOE-UHFFFAOYSA-N 216.240 2.502 0 50 BFAA in-vitro CCc1ccc(Br)cc1N 95635102 LSDOCARYQOKKKP-UHFFFAOYSA-N 200.079 2.594 0 50 BFAA in-vitro O=C(O)c1nc(Cl)cc2ccccc12 114522632 VASFAEHWRGJUKE-UHFFFAOYSA-N 207.616 2.586 0 50 BFAA CCOC(=O)CCc1cc(Cl)cs1 130291221 DFEDUYFJGOSFLB-UHFFFAOYSA-N 218.705 2.897 0 50 BFAA CC(C)n1cc(CNCc2cccs2)cn1 163970475 ARNZYDYMPBYYHK-UHFFFAOYSA-N 235.356 2.815 0 50 BFAA Cc1nn(C[C@H](O)c2ccccc2F)c(C)c1C 191389123 VUJJXBKCNKWYFD-AWEZNQCLSA-N 248.301 2.681 0 50 BFAA Cc1ccc(N2CC(CC(C)(C)C)C2)nn1 2325775543 FTNROFCVHRERPR-UHFFFAOYSA-N 219.332 2.657 0 50 BFAA Cc1ccc(-c2cn3c(n2)SCC3)cc1 245464 GKXNHSYDHUBQMW-UHFFFAOYSA-N 216.309 2.964 0 50 BFAA O=C(O)c1cccc2c1-c1ccccc1C2=O 265675 AFQYQSWTVCNJQT-UHFFFAOYSA-N 224.215 2.596 0 50 BFAA in-vitro CCC[C@H](C)NC(=O)c1ccc(F)cc1 441756 OUFYAVNREBEKGV-VIFPVBQESA-N 209.264 2.744 0 50 BFAA CC[C@@H](C(=O)Nc1ccon1)c1ccccc1 1055646 SZRQFFYFLMVKTJ-LLVKDONJSA-N 230.267 2.807 0 50 BFAA Cc1ccccc1CN1CCSCC1 4838192 PSGMZFKEMBBBOA-UHFFFAOYSA-N 207.342 2.544 0 50 BFAA CCNCCOc1cc(C)cc(C)c1C 6703631 WVJUYEONYYASDD-UHFFFAOYSA-N 207.317 2.600 0 50 BFAA CC(C)c1ccc(CNCC2CCNCC2)cc1 10434734 XXFYNYCAEVKSME-UHFFFAOYSA-N 246.398 2.899 0 50 BFAA Cc1c(C)c2cc(Cl)c(O)cc2oc1=O 11765802 JMNRODDUVWGJDN-UHFFFAOYSA-N 224.643 2.769 0 50 BFAA CCCCNC(=O)c1ccc(NC(=O)CC)cc1 12138752 SPTKDKOMRICFBT-UHFFFAOYSA-N 248.326 2.565 0 50 BFAA Clc1cc(OCc2ccccc2)ncn1 12359404 KXDXFVQZZGSEBU-UHFFFAOYSA-N 220.659 2.709 0 50 BFAA in-vitro S=C1NC2(CCCC2)Nc2ccccc21 13573731 CVKBGNGVPMPNQU-UHFFFAOYSA-N 218.325 2.648 0 50 BFAA CC(C)Nc1cccc(Br)n1 38537451 FZACLMVHJVRFML-UHFFFAOYSA-N 215.094 2.664 0 50 BFAA in-vitro COC(=O)c1cc2cc(C)cc(C)c2[nH]1 43392910 XZXOKIHPWIJXTF-UHFFFAOYSA-N 203.241 2.571 0 50 BFAA FC(F)(F)CCc1nc(-c2ccccn2)no1 65393792 HIDGIURAURXNAE-UHFFFAOYSA-N 243.188 2.627 0 50 BFAA Fc1cccc(Br)c1CNC1CC1 85476871 CAPCGISPNVNOBL-UHFFFAOYSA-N 244.107 2.840 0 50 BFAA in-vitro COC(=O)c1cncc(-c2ccc(F)cc2F)c1 91351975 BZTJGSHWKXFZMA-UHFFFAOYSA-N 249.216 2.813 0 50 BFAA in-vitro CCc1cc2c(Cl)nc(Cl)nc2[nH]1 94568717 DAIHJEKQJWHQEZ-UHFFFAOYSA-N 216.071 2.827 0 50 BFAA O=C1c2sccc2N[C@H]2CCCCCN12 96511632 FIGNDJOQOKNIOG-SECBINFHSA-N 222.313 2.516 0 50 BFAA COC(=O)c1ccc(-c2cncc(OC)c2)cc1 97757384 XKEFPLVPYMBLPU-UHFFFAOYSA-N 243.262 2.544 0 50 BFAA COc1ccc2c(c1)[C@@H]1[C@H]3[C@@H]4[C@@H]3[C@@H]2[C@@H]2[C@H]4[C@H]12 257346641 XLLZTEORNJNOQZ-OTLHJRDOSA-N 210.276 2.628 0 50 BFAA Cc1ccoc1CN[C@H]1C[C@@H](N)c2ccccc21 261562174 GIQTUKDIFQPHMF-KGLIPLIRSA-N 242.322 2.822 0 50 BFAA CCn1nc(/C=C/C2CCCCC2)nc1N(C)C 426361870 BDVFWXXNZIMJCC-ZHACJKMWSA-N 248.374 2.958 0 50 BFAA Cc1cc2c[nH]nc2cc1[C@@H]1CCCN[C@H]1C 757213579 PSJDAXJHOMTOHN-CMPLNLGQSA-N 229.327 2.727 0 50 BFAA CCn1ccnc1SCc1nc(C)ccc1O 1775992117 PQHWIBTWCSCGBH-UHFFFAOYSA-N 249.339 2.604 0 50 BFAA Cn1cnc(-c2cnc3cc(F)ccc3c2)c1 1875248710 IYSVFBZFRWDBOD-UHFFFAOYSA-N 227.242 2.774 0 50 BFAA CCSc1ccc(-c2cccc(N)c2)nn1 1908500300 KTNZNTZWBWLEFB-UHFFFAOYSA-N 231.324 2.838 0 50 BFAA Cc1cc(-c2ccc(CCN)cc2)c(O)nc1C 2356168914 HLHYUXVGTXFCEB-UHFFFAOYSA-N 242.322 2.572 0 50 BFAA COc1ccc([C@H](N)c2ccccc2)cc1 74809 MXDBCXKVTJDKNP-CQSZACIVSA-N 213.280 2.743 0 50 BFAA in-vitro Cc1cc(C)nc(Nc2ccccc2O)n1 180418 WGIOYZLRQXFWBB-UHFFFAOYSA-N 215.256 2.543 0 50 BFAA O=C1C=C(N2CCCCC2)C2(CCCCC2)O1 251702 DNWVUTDCWOCQHG-UHFFFAOYSA-N 235.327 2.616 0 50 BFAA O=C(Cc1ccc(O)cc1)OCc1ccccc1 2556350 IUGQFMIATSVYLK-UHFFFAOYSA-N 242.274 2.678 0 50 BFAA in-vitro Cc1ccc(OC(C)(C)C(=O)O)cc1C 2557831 YQKAJORFGHOODL-UHFFFAOYSA-N 208.257 2.545 0 50 BFAA in-vitro O=Cc1ccc(C(=O)OCc2ccccc2)cc1 3160468 JCYUVFOJNQNFQF-UHFFFAOYSA-N 240.258 2.856 0 50 BFAA Clc1cccc(CN2CCSCC2)c1 4978245 ZCTCUBBVDCJFKH-UHFFFAOYSA-N 227.760 2.889 0 50 BFAA COC(=O)c1cc(-c2ccccc2)n(C)c1C 6750301 FYKKINOAOXEGCA-UHFFFAOYSA-N 229.279 2.787 0 50 BFAA C1=CC[C@H](CN2CCC(N3CCCC3)CC2)CC1 20994858 VIJZKYQCMHJDAQ-HNNXBMFYSA-N 248.414 2.903 0 50 BFAA O=C1CC[C@]2(CCCC[C@@H]2c2ccccc2)N1 44124802 SNDDYBGPSCGBOE-HIFRSBDPSA-N 229.323 2.993 0 50 BFAA C[C@@H]1CC(C)(C)CC[C@@H]1NCc1ncc[nH]1 86662522 IJQOFHBUTKEHGW-MNOVXSKESA-N 221.348 2.714 0 50 BFAA COc1ccc(-c2cccc([C@@H](C)O)n2)cc1F 96152443 UBNKXHDLXZBNIP-SECBINFHSA-N 247.269 2.950 0 50 BFAA O=C1[C@@H]2CCCCC2=NN1c1ccccc1 100488300 XTRMRDURQFAJOU-LLVKDONJSA-N 214.268 2.579 0 50 BFAA CC1=C[C@H](c2ccc(Cl)cc2)n2ncnc2N1 100622308 SDQJZUIWKMSUCS-LLVKDONJSA-N 246.701 2.850 0 50 BFAA C[C@H](CCc1ccccc1)NCC1(CO)CCC1 184534291 JXDHMCGMCWTFTI-CQSZACIVSA-N 247.382 2.760 0 50 BFAA CC(C)c1noc([C@@H](C)N2CCC[C@@H](C)C2)n1 225259571 HFWHMCDWWQQOCP-GHMZBOCLSA-N 237.347 2.986 0 50 BFAA Nc1ccc(-c2noc(C3CCC3)n2)c(F)c1 725273602 ODLCGCDFRWNVNZ-UHFFFAOYSA-N 233.246 2.725 0 50 BFAA Cn1cc(C(=O)N2CCC2)c2cc(Cl)ccc21 2325784469 KMYFHXKKVISRHI-UHFFFAOYSA-N 248.713 2.678 0 50 BFAA O[C@H](c1ccc(Br)cc1)C1CC1 129331 PLVQKMYLBFYJHT-JTQLQIEISA-N 227.101 2.893 0 50 BFAA O=C(O)/C=C/c1c(F)cccc1Cl 152630 NDWALECYVLNBQG-SNAWJCMRSA-N 200.596 2.577 0 50 BFAA in-vitro Oc1ccccc1-c1cc(C(F)F)on1 236363 ZWYYHFHVMODCLP-UHFFFAOYSA-N 211.167 2.985 0 50 BFAA O=C(NC12CC3CC(CC(C3)C1)C2)C(F)(F)F 245746 CMKIOJNRXWXMCG-UHFFFAOYSA-N 247.260 2.634 0 50 BFAA COc1ccc(NC(=O)Nc2nccs2)cc1 253507 ZRSKTGHUIKKPAF-UHFFFAOYSA-N 249.295 2.796 0 50 BFAA O=C(Nc1ccccc1)Oc1ccccn1 395113 NMQVKCSSLPARTC-UHFFFAOYSA-N 214.224 2.693 0 50 BFAA Cc1ccc(C(=O)Nn2c(C)ccc2C)cc1 616448 JRKDHGWMMSGQJY-UHFFFAOYSA-N 228.295 2.797 0 50 BFAA C/C(=N\Nc1nc(C)cc(C)n1)c1ccco1 4996181 RIHHIVLCEBMXTI-XNTDXEJSSA-N 230.271 2.523 0 50 BFAA CC1(C)CC(=O)CCN1Cc1ccccc1 5414993 QXCCSKIRCJMSMM-UHFFFAOYSA-N 217.312 2.630 0 50 BFAA in-vitro CCCCOc1ccc(CCC(=O)O)cc1 8019483 HYKVUYCXAYOAKZ-UHFFFAOYSA-N 222.284 2.883 0 50 BFAA in-vitro O=C(Cn1ccc2c(Cl)cccc21)NC1CC1 32090870 BSHVKHDTEBDIHZ-UHFFFAOYSA-N 248.713 2.573 0 50 BFAA CCOc1ccc(Br)cc1O 36192976 KDVFYMIAZFIZLO-UHFFFAOYSA-N 217.062 2.553 0 50 BFAA C1CCC(CCOC[C@H]2CCNC2)CC1 38580690 IFUPGADAIXSPOB-ZDUSSCGKSA-N 211.349 2.583 0 50 BFAA Cc1cc(-c2nc3c(C)cccc3[nH]2)n(C)n1 55212166 XKDCSDXECUEDIQ-UHFFFAOYSA-N 226.283 2.580 0 50 BFAA CC(C)Cc1cc(CNC2CCCC2)on1 65370410 FFLTUXOYGHHIRG-UHFFFAOYSA-N 222.332 2.905 0 50 BFAA CC1(C)C(=O)Nc2cccc(Br)c21 66054812 JOYAZIZUUBNQFV-UHFFFAOYSA-N 240.100 2.679 0 50 BFAA Cc1cccnc1Cn1ccnc1-c1ccoc1 67642871 RURMANCYRSWULT-UHFFFAOYSA-N 239.278 2.895 0 50 BFAA Fc1ccc(-n2cnc(Br)c2)cc1 72193544 BZRDUINZBROYAQ-UHFFFAOYSA-N 241.063 2.774 0 50 BFAA in-vitro CCCN[C@@H]1Cc2ccc(OC)cc2OC1(C)C 95918263 ODWPTKLJAAYIGQ-CQSZACIVSA-N 249.354 2.777 0 50 BFAA CC(=O)N1CCC[C@@H]1C[C@H]1C[C@H]2CC[C@H]1C2 245382402 IYUBLALZUNSGLM-IGQOVBAYSA-N 221.344 2.824 0 50 BFAA C1CCC(C2CN(C[C@@H]3CCCOC3)C2)CC1 334648811 ZMAMDMMRRBNMLC-ZDUSSCGKSA-N 237.387 2.925 0 50 BFAA NCc1ccc(-c2noc(C3CCC3)n2)s1 725273642 RQDNGPMZTNLNMS-UHFFFAOYSA-N 235.312 2.524 0 50 BFAA C=CC(=O)Nc1ccc(N2CCCCC2)c(F)c1 1353216106 RQGUDTWIGIYRBX-UHFFFAOYSA-N 248.301 2.941 0 50 BFAA O=C(N[C@@H]1CCc2ccccc21)c1cnsc1 1857681243 FFUNCAWGYNEZIU-GFCCVEGCSA-N 244.319 2.560 0 50 BFAA CCc1ncnc(Oc2cccc(OC)c2)c1F 2325718098 KXZDVXUYSVRBSU-UHFFFAOYSA-N 248.257 2.979 0 50 BFAA C[C@@H](NC(=O)NC(C)(C)C)c1ccccc1 136897 GINDCBFYEUWKKJ-SNVBAGLBSA-N 220.316 2.845 0 50 BFAA O=C(O)C[C@@H]1Cc2cccc3cccc1c23 330085 SPKBPOIDADRUPI-NSHDSACASA-N 212.248 2.954 0 50 BFAA CCOC(=O)c1ccc(Br)cc1 389743 XZIAFENWXIQIKR-UHFFFAOYSA-N 229.073 2.626 0 50 BFAA in-vitro Clc1nc(Cl)nc(Oc2ccccc2)n1 2037661 ACMVCGAZNQJQFJ-UHFFFAOYSA-N 242.065 2.971 0 50 BFAA CCOc1cc(C=O)ccc1OCC(C)C 2799450 BVHHJYYHHQIPCB-UHFFFAOYSA-N 222.284 2.933 0 50 BFAA in-vitro Cc1ccc([C@@H]2NCC[C@@]3(O)CCCC[C@@H]23)cc1 4029574 YQDZCQUVNRHELP-JYJNAYRXSA-N 245.366 2.951 0 50 BFAA biogenic Cc1cccc(CN2CCSCC2)c1 4990129 PGGZEZVGUUKGKB-UHFFFAOYSA-N 207.342 2.544 0 50 BFAA Nc1ncc2c(n1)-c1cc(Cl)ccc1SC2 12958767 UZJPMIAQMGQZSN-UHFFFAOYSA-N 249.726 2.985 0 50 BFAA COc1cccc(N)c1OCc1ccccc1 34101805 TVSWJWRBQLKCGN-UHFFFAOYSA-N 229.279 2.856 0 50 BFAA CC(C)(C)OC(=O)Nc1ccc(N)cc1F 43473687 WBYYPBQKOOBWAE-UHFFFAOYSA-N 226.251 2.755 0 50 BFAA in-vitro CC(C)(C)OC(=O)N[C@@H]1CCCc2cccnc21 71863740 IPGXGELCTJPNDX-LLVKDONJSA-N 248.326 2.984 0 50 BFAA N[C@@H](c1ccccc1)c1cccc(Cl)n1 91711176 SRRNHHAXLSFCDI-LBPRGKRZSA-N 218.687 2.783 0 50 BFAA CCOc1ccccc1CNC(=O)[C@H]1CC1(C)C 119491981 IRVFNSDLVFXDGO-GFCCVEGCSA-N 247.338 2.748 0 50 BFAA CN(Cc1ccc(F)cc1)C(=O)[C@@H]1CC1(C)C 133790494 ASDLDIJHNWPNFP-LBPRGKRZSA-N 235.302 2.830 0 50 BFAA Clc1cc(Cl)n2ncc(C3CC3)c2n1 143977342 QCFYPBHNWRYUEI-UHFFFAOYSA-N 228.082 2.914 0 50 BFAA Fc1ccccc1-c1n[nH]cc1CN1CCCC1 151416960 ONLFIENHWLCIBJ-UHFFFAOYSA-N 245.301 2.812 0 50 BFAA COC(=O)c1cc2ccc(OCC3CC3)cc2[nH]1 201193387 IVBCWXLXRWKJEF-UHFFFAOYSA-N 245.278 2.743 0 50 BFAA CCS(=O)(=O)c1ccc(Cl)cc1Cl 207980851 UGDFZJIMZDMSGN-UHFFFAOYSA-N 239.123 2.787 0 50 BFAA C[C@@H](c1ccccc1)N(CC(=O)O)CC1CCC1 237626323 AWUSRMAGFUYQDU-LBPRGKRZSA-N 247.338 2.934 0 50 BFAA N[C@H]1C[C@H](c2ccc(Br)cc2)C1 238856330 VNQNQKQBKMLKQN-CZMCAQCFSA-N 226.117 2.654 0 50 BFAA Cc1noc(NC(=O)C[C@@H]2CC[C@H]3C[C@H]23)c1C 333597814 UPBJDAIANXNQGG-DCAQKATOSA-N 234.299 2.666 0 50 BFAA CCOC(=O)[C@@H]1CCCCN1[C@H]1CC[C@@H](C)C1 338910391 LEPDWDXEVCKHTR-AGIUHOORSA-N 239.359 2.593 0 50 BFAA Cc1cc(-c2cccnc2N)cc2c[nH]nc12 1241516279 CQZGETZWPDSUOX-UHFFFAOYSA-N 224.267 2.516 0 50 BFAA CC1(C)OCc2c(O)nc(C3CCCCC3)nc21 1776003804 HNHGCTMBTNQBJY-UHFFFAOYSA-N 248.326 2.995 0 50 BFAA Cc1ccncc1NC(=O)[C@H](C)CC1CC1 1875290619 SRXLGHBNKKQZHE-SNVBAGLBSA-N 218.300 2.765 0 50 BFAA CC(C)COC(=O)/C=C/c1ccccc1 270595 IQZUZPKOFSOVET-CMDGGOBGSA-N 204.269 2.899 0 50 BFAA O=C(COc1ccccc1)NCC1CCCCC1 388983 WBJVENNSWCXEPN-UHFFFAOYSA-N 247.338 2.762 0 50 BFAA COC(=O)CSCc1ccc(Cl)cc1 396310 SOZGVMJZDNRJJE-UHFFFAOYSA-N 230.716 2.746 0 50 BFAA COc1cc(C=O)c(Cl)cc1OC(C)C 466200 ORZOULWZVFPKPE-UHFFFAOYSA-N 228.675 2.948 0 50 BFAA in-vitro CC(=O)N1CCO[C@@H]1C[C@H](C)CCC=C(C)C 519061 RKYXURFVIOUABL-TZMCWYRMSA-N 239.359 2.964 0 50 BFAA biogenic O=C(O)c1ccc2cc(Cl)ccc2n1 20272701 UKMWQYNJAVNCOZ-UHFFFAOYSA-N 207.616 2.586 0 50 BFAA in-vitro c1cnc(Nc2nc3ccccc3s2)nc1 22607160 CJTOFJMUMLSNLZ-UHFFFAOYSA-N 228.280 2.830 0 50 BFAA CN(C(=O)c1cccs1)C1CCCC1 32497800 VKJDBHYKEBNJPL-UHFFFAOYSA-N 209.314 2.763 0 50 BFAA CSc1ncccc1Br 42376577 UZRUCGBRGXJVHQ-UHFFFAOYSA-N 204.092 2.566 0 50 BFAA in-vitro OCc1csc(-c2cccc3cnccc23)n1 65419246 FPSIOCIGFRBPQM-UHFFFAOYSA-N 242.303 2.851 0 50 BFAA CC1(C)CC(=O)Nc2cc(Cl)ccc21 95496149 XOCSIBQQEXKLPV-UHFFFAOYSA-N 209.676 2.960 0 50 BFAA in-vitro CCCCCC[C@H](C(=O)OC)N1CCCCC1 96026715 DLWQURTUDAXMOY-CYBMUJFWSA-N 241.375 2.984 0 50 BFAA Cc1ccn2c(NCc3cccs3)nnc2c1 125955007 GQQMWDPVZDCEGZ-UHFFFAOYSA-N 244.323 2.711 0 50 BFAA CCCC[C@@H](CN)NC(=O)c1ccc(C)c(C)c1 130388794 AJDVVCDBJJAYKP-AWEZNQCLSA-N 248.370 2.551 0 50 BFAA Fc1ccc(Br)cc1-c1cc[nH]n1 132181880 SXERMJTWSGFYDX-UHFFFAOYSA-N 241.063 2.978 0 50 BFAA CCCC(=O)Nc1cc(C(F)(F)F)ccn1 170593476 FJTGSCKHWQDAGT-UHFFFAOYSA-N 232.205 2.839 0 50 BFAA C1=C[C@@H](N2CCC([C@@H]3CCCO3)CC2)CCC1 189122100 RJDRYZATHAGQTB-CABCVRRESA-N 235.371 2.986 0 50 BFAA CCOC(=O)c1ccc2c(OCC)ccnc2c1 218899983 VEIBFPAMWJLWEV-UHFFFAOYSA-N 245.278 2.810 0 50 BFAA CCS[C@@H]1CCC[C@H]1NCCCF 233840631 KKOOORAGCNQZIA-NXEZZACHSA-N 205.342 2.610 0 50 BFAA COc1c(C)cc(Br)nc1Cl 238356565 WUOCYPJPONQBDU-UHFFFAOYSA-N 236.496 2.815 0 50 BFAA in-vitro Cc1ccc2c(c1Br)CCC2=O 238486898 RIWFVJCTIBYGJH-UHFFFAOYSA-N 225.085 2.886 0 50 BFAA COc1cccc2c1[C@H]1[C@@H]3[C@@H]2[C@H]2C=C[C@H]2[C@H]31 248264318 YCSMNJDXPUOOSB-NJYDMMFXSA-N 210.276 2.938 0 50 BFAA CCC(CC)(CN[C@H]1CC[C@H](C)C1)C(=O)O 263061116 MVDCRSGIRHZYEJ-QWRGUYRKSA-N 227.348 2.656 0 50 BFAA O=C(C[C@H]1C=CCC1)N1CCC(CF)CC1 334543127 FSCNRHPRYDYCDV-NSHDSACASA-N 225.307 2.551 0 50 BFAA CC(C)Oc1ccc(-c2cccc(N)c2)nn1 584904572 CSIIXYFADITPAJ-UHFFFAOYSA-N 229.283 2.513 0 50 BFAA C[C@@H]1CCC[C@H](NC(=O)Nc2cnsc2)C1 888095433 GCFBMBXPFDQKTM-BDAKNGLRSA-N 239.344 2.843 0 50 BFAA C=CC(=O)N1C[C@H](C(C)C)c2ccccc21 952884763 NJRMWDVYVQEVNI-GFCCVEGCSA-N 215.296 2.959 0 50 BFAA C[C@@]12C[C@@H]1CN(C(=O)c1c[nH]c3ccccc13)C2 1772806060 YHSSBWGMJXEUMI-BMIGLBTASA-N 240.306 2.650 0 50 BFAA c1cncc(Cn2ccnc2-c2ccco2)c1 1875249385 OWHWKAWOICDRFI-UHFFFAOYSA-N 225.251 2.586 0 50 BFAA CCOc1ccc2oc(=O)cc(C)c2c1 58025 CAJUPFPBROFVEL-UHFFFAOYSA-N 204.225 2.500 0 50 BFAA biogenic CC(=O)Nc1ccc(Br)c(C)c1 171287 BYZHUFNLXFFINU-UHFFFAOYSA-N 228.089 2.716 0 50 BFAA in-vitro CCCCN(CCCC)C[C@@H](O)CC 2171095 LNQQBMJYPYXJBH-LBPRGKRZSA-N 201.354 2.660 0 50 BFAA Nc1cccc(-c2cn3ccsc3n2)c1 2458673 ASXLSRKDSOSGQE-UHFFFAOYSA-N 215.281 2.645 0 50 BFAA in-vitro COc1ccc(Oc2ccc(CN)cc2)cc1 4085010 VEJUSGNMSTZUSD-UHFFFAOYSA-N 229.279 2.946 0 50 BFAA CCc1ccc(-c2cc(C(=O)O)no2)cc1 4234924 FNTZJQFGZFDXPX-UHFFFAOYSA-N 217.224 2.602 0 50 BFAA in-vitro Cc1cc(C)c2[nH]c(C(=O)O)c(C)c2c1 4384265 XFNONUNNILCXRU-UHFFFAOYSA-N 203.241 2.791 0 50 BFAA in-vitro COc1ccccc1[C@H](C)NC(=O)c1ccco1 9218751 FZUSZVOFQIZJFW-JTQLQIEISA-N 245.278 2.779 0 50 BFAA Brc1ccccc1-c1ncc[nH]1 34146357 LMTCUTLBCVWIFS-UHFFFAOYSA-N 223.073 2.839 0 50 BFAA in-vitro O=C(O)[C@H]1C[C@@H]1c1ccccc1Br 37380948 SJXGNJABBYVEHY-SFYZADRCSA-N 241.084 2.637 0 50 BFAA in-vitro O=C(O)c1coc(-c2ccc(Cl)cc2)n1 51075301 AUTVMMYIVCLSMR-UHFFFAOYSA-N 223.615 2.693 0 50 BFAA in-vitro COc1ccc2c(c1)CC[C@@]1(C)C2=CC[C@@H]1O 71774147 CVDBQWXONDFFGQ-GJZGRUSLSA-N 230.307 2.796 0 50 BFAA CCCC1CCC(N(C)C(=O)c2cc[nH]n2)CC1 192270764 RTCGFGUSDKFWKM-UHFFFAOYSA-N 249.358 2.841 0 50 BFAA Cc1cc(C(=O)N(C)[C@@H](C)c2ccon2)c(C)o1 215647649 VSHOPZVBYDYNMR-VIFPVBQESA-N 248.282 2.718 0 50 BFAA CC(C)[C@@H]1OC(=O)C(c2ccccc2)=C1O 221531014 XANGDIIGISVPEG-LBPRGKRZSA-N 218.252 2.537 0 50 BFAA C[C@@H](NC1CCSCC1)C(C)(F)F 307281445 JWWGKEXXMXLFLF-SSDOTTSWSA-N 209.305 2.515 0 50 BFAA c1cncc(-c2ccc(CN3CCCC3)cn2)c1 426641460 GNTKPMWBVOWJJF-UHFFFAOYSA-N 239.322 2.739 0 50 BFAA C=CC(=O)N1CCC[C@@]1(C)Cc1cccs1 952879955 AWMHXYXMDGFZTQ-ZDUSSCGKSA-N 235.352 2.858 0 50 BFAA Cc1cccc(-c2nccn2[C@H](C)CO)c1F 1875241360 VISKTRKUUMVJKY-SNVBAGLBSA-N 234.274 2.551 0 50 BFAA CC1(C(=O)Nc2ccc(Cl)c3cn[nH]c23)CC1 1875296330 QPCYWOLCWNSBSN-UHFFFAOYSA-N 249.701 2.955 0 50 BFAA Cc1ccc(NC(=O)NCc2ccco2)cc1 396225 CQEUVINXJWQPOV-UHFFFAOYSA-N 230.267 2.910 0 50 BFAA Oc1cccc(Nc2cccc(O)c2)c1 2527895 JSQGOXTYKZBABW-UHFFFAOYSA-N 201.225 2.841 0 50 BFAA CC(C)(C)C(=O)Nc1coc(C(C)(C)C)n1 3109758 FQTLDZBGFVPMMB-UHFFFAOYSA-N 224.304 2.957 0 50 BFAA COc1c(C)cccc1[C@H]1CCCCN1 3734686 GVWAAKIMGYPHAS-GFCCVEGCSA-N 205.301 2.818 0 50 BFAA in-vitro CCCNC(=O)[C@H](C)Oc1cccc(Cl)c1 5468601 GFQZRWARHUUGKQ-VIFPVBQESA-N 241.718 2.634 0 50 BFAA CC(C)(C)OC(=O)Nc1ccc(C=O)cc1 6732191 SVQVBAUJEKSBEC-UHFFFAOYSA-N 221.256 2.846 0 50 BFAA in-vitro COc1ccc(CCNCc2ccco2)cc1 19720399 WZDHRFBBOPQWBQ-UHFFFAOYSA-N 231.295 2.621 0 50 BFAA Oc1cnc2ccccc2c1Br 19801017 BJEMWAKSVKPWBC-UHFFFAOYSA-N 224.057 2.703 0 50 BFAA in-vitro COC(=O)/C=C/c1cc(Br)cs1 34750871 OPKVLLQCBXEGTN-NSCUHMNNSA-N 247.113 2.697 0 50 BFAA Cc1ccc(F)cc1-c1nc([C@H]2CCOC2)no1 96162901 DFTXUCHVSFJRKF-VIFPVBQESA-N 248.257 2.688 0 50 BFAA C=CC(=O)N1CCCC[C@@H]1c1ccccc1 142376970 KAXFYNCRAWYANC-CYBMUJFWSA-N 215.296 2.926 0 50 BFAA CC[C@H](C)[C@H](C)Nc1ccc2c(c1)C(=O)NC2 170592623 YIQWXTNPQVPNDK-UWVGGRQHSA-N 232.327 2.777 0 50 BFAA CCC(=O)N(Cc1c(F)cccc1F)C1CC1 170611381 FBJSVWSCUHRWCL-UHFFFAOYSA-N 239.265 2.866 0 50 BFAA CCOc1ccc(CNC[C@@H]2CCC=CO2)cc1 380198470 BRNYMLBXSBSFGN-HNNXBMFYSA-N 247.338 2.868 0 50 BFAA FC1=CCCN(Cc2cnc(C3CC3)o2)C1 585123981 XHGRZWVFCNWIQW-UHFFFAOYSA-N 222.263 2.611 0 50 BFAA CN(CCCC1CCCC1)C[C@@H]1CCC(=O)O1 823688783 XLLWXPACJSHCKO-ZDUSSCGKSA-N 239.359 2.594 0 50 BFAA CC(C)(C)NC[C@H](O)c1ccccc1Cl 57521 YREYLAVBNPACJM-NSHDSACASA-N 227.735 2.762 0 50 BFAA biogenic,world COc1ccc(NC(=O)C(C)(C)C)cc1 187472 JFRWTFVXZCJZKV-UHFFFAOYSA-N 207.273 2.680 0 50 BFAA CCOc1ccccc1CNC(C)(C)C 6701642 GLHNVHGQQZSZNY-UHFFFAOYSA-N 207.317 2.973 0 50 BFAA CNc1ccccc1C(=O)OCC(C)C 13346770 WKYZGTHZBSYUFI-UHFFFAOYSA-N 207.273 2.541 0 50 BFAA endogenous,in-man CCc1cc(-n2ccc(C)n2)ccc1NC(C)=O 65404037 RZRBDLABTUZMSO-UHFFFAOYSA-N 243.310 2.702 0 50 BFAA Oc1cc(Br)cc(Cl)c1F 74934299 GXMIWRKHBJSAJB-UHFFFAOYSA-N 225.444 2.947 0 50 BFAA in-vitro COc1cc(Cl)c(Br)cc1N 95494752 YYRSHQWXBOMAAS-UHFFFAOYSA-N 236.496 2.693 0 50 BFAA C[C@@H]1[C@@]23CC=CC[C@]2(CCCC3)CS1(=O)=O 104285029 ZTXAGCGGJCSEOI-AGIUHOORSA-N 240.368 2.700 0 50 BFAA Fc1cc(O[C@H]2CCOC2)ccc1Cl 134389728 JEGRBWPGXMTFKG-QMMMGPOBSA-N 216.639 2.647 0 50 BFAA CC(C)CCNC(=O)[C@H]1C[C@@H]1c1cccc(O)c1 225412270 RNOVFSPBBJLWIC-KGLIPLIRSA-N 247.338 2.658 0 50 BFAA C[C@H]1CC[C@H](CN(C#N)c2ccc(F)cc2)O1 239672665 BUOWBBKAROAOOG-GXFFZTMASA-N 234.274 2.681 0 50 BFAA CC(C)(C(=O)Nc1ccc2nc[nH]c2c1)C1CC1 291500479 MQPYJCGSLYNRNZ-UHFFFAOYSA-N 243.310 2.938 0 50 BFAA CC[C@@H]1CCCN(c2ncnc(C)c2OC)CC1 656127063 LKCZWVACQCODAX-GFCCVEGCSA-N 249.358 2.810 0 50 BFAA CCCO[C@@H]1CCCN(C2CCSCC2)C1 1529155033 NDLIPVBTDRNZAK-CYBMUJFWSA-N 243.416 2.773 0 50 BFAA CC(C)[C@@H]1CCC[C@@](C(=O)O)(n2ccnc2)C1 1875271527 KPFXAOFNIQCVKL-DGCLKSJQSA-N 236.315 2.509 0 50 BFAA CCC(=O)c1cc(Br)ccc1O 158044 NDXLYRKTHTZXRC-UHFFFAOYSA-N 229.073 2.747 0 50 BFAA in-vitro O=C(O)c1ccc(NCc2ccco2)cc1 259358 XFIBYCNKYOLPJO-UHFFFAOYSA-N 217.224 2.590 0 50 BFAA Cc1cc(NC(=O)CCCc2ccccc2)no1 339817 RQUBJHMSOJFJDO-UHFFFAOYSA-N 244.294 2.944 0 50 BFAA O=C(O)C1c2ccccc2Cc2ccccc21 410212 HAMMHSUBQYOIFQ-UHFFFAOYSA-N 224.259 2.807 0 50 BFAA Cc1cc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)no1 476767 PSRQPFSQPUKINL-NEPJUHHUSA-N 242.278 2.725 0 50 BFAA COc1ccc(Cl)cc1C(=O)N1CCCC1 862266 WBBIMTCZZRPLNN-UHFFFAOYSA-N 239.702 2.585 0 50 BFAA CC(C)(C)c1cc(NC(=O)c2ccco2)no1 1056319 MPHNYXGIZYEALO-UHFFFAOYSA-N 234.255 2.817 0 50 BFAA C[C@@H]1CCCN(CCOc2ccccc2)C1 4845473 HDQGOSUKOKDLIM-CYBMUJFWSA-N 219.328 2.797 0 50 BFAA CCC(=O)Nc1ccc(C(=O)N[C@H](C)CC)cc1 12138739 XAECELFTTFHQEY-SNVBAGLBSA-N 248.326 2.563 0 50 BFAA Cc1ccnc(NC(=O)c2ccc(C)c(N)c2)c1 19844071 RQLCXQAZTZTJSM-UHFFFAOYSA-N 241.294 2.533 0 50 BFAA in-vitro CCOC(=O)c1cc2c(C)cccc2[nH]1 26894260 ZUJVXCIAKURESZ-UHFFFAOYSA-N 203.241 2.653 0 50 BFAA Nc1ccc(OCc2ccccc2)cc1O 38885599 XOJGECMCKLYLDB-UHFFFAOYSA-N 215.252 2.553 0 50 BFAA in-vitro Nc1cnc(-c2ccc(C(F)(F)F)cc2)cn1 44117515 PZCWBZARKLQZDN-UHFFFAOYSA-N 239.200 2.745 0 50 BFAA COC(=O)Cc1ccc(C)c(C(F)(F)F)c1 91692993 QNYCASKFLHIXOY-UHFFFAOYSA-N 232.201 2.729 0 50 BFAA Nc1cc(C(F)(F)F)cc2cccnc12 165525598 OWBHAJLHWDFULE-UHFFFAOYSA-N 212.174 2.836 0 50 BFAA C=Cn1cc(CN(C)[C@H](C)c2ccccn2)cn1 194587161 QLCKOTCNWLPSPC-GFCCVEGCSA-N 242.326 2.572 0 50 BFAA CC(C)c1cc(CN(C)[C@@H](C)c2ccon2)on1 216178479 YVHLBRCRKKXDEW-JTQLQIEISA-N 249.314 2.979 0 50 BFAA CCC[C@](C)(O)CNC(=O)c1ccc(C)c(C)c1 224694410 JVUKCAROPWUCEI-HNNXBMFYSA-N 249.354 2.584 0 50 BFAA CC(C)C1=C[C@@H]2[C@H](CC[C@]2(C)O)[C@@](C)(O)CC1 253608209 IWQURBSTAIRNAE-XGUBFFRZSA-N 238.371 2.891 0 50 BFAA c1cn2c(n1)CC[C@H](CNC1CCCCCC1)C2 328635055 NCZFVPCNDHYAAT-CYBMUJFWSA-N 247.386 2.758 0 50 BFAA OCc1ccc(CN2CCC(C3CC3)CC2)cc1 368336619 OYCPBDGAPRWASL-UHFFFAOYSA-N 245.366 2.801 0 50 BFAA CCO[C@H](C)C(=O)NC1(c2ccccc2C)CC1 426548825 QJJMFCYQJODCHS-GFCCVEGCSA-N 247.338 2.525 0 50 BFAA CC(C)(C)OC(=O)N1CCCC[C@H]2C[C@H]21 669378648 LBMYDKALZQLSEU-VHSXEESVSA-N 211.305 2.796 0 50 BFAA Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1 105284 NZRHOWNFGASHMN-UHFFFAOYSA-N 248.289 2.788 0 50 BFAA in-vitro O=C(c1ccc(F)cc1)n1cnc2ccccc21 283244 QOOOIURGGPOPNF-UHFFFAOYSA-N 240.237 2.864 0 50 BFAA O=C(O)C[C@H](c1ccccc1)c1ccco1 310250 SURWKZCXLRGYFM-LLVKDONJSA-N 216.236 2.886 0 50 BFAA in-vitro Cc1ccc(C(=O)Cc2nnc(C)s2)cc1 386687 WHIIUCBIAWHMRH-UHFFFAOYSA-N 232.308 2.580 0 50 BFAA O[C@@]1(c2ccccc2)CCOc2ccccc21 400327 PKMBLSGNHNQTPT-OAHLLOKOSA-N 226.275 2.705 0 50 BFAA COC(=O)c1ccccc1NC(=O)C1CCCC1 473320 JGXRIRPMSWHGKN-UHFFFAOYSA-N 247.294 2.602 0 50 BFAA O=C(/C=C/c1ccccc1)Nc1ccccn1 568072 BDNKPEVYDJXVHD-MDZDMXLPSA-N 224.263 2.734 0 50 BFAA COc1ccccc1-c1ccc(CO)cc1 4204280 UQVHCYYRTNOJTQ-UHFFFAOYSA-N 214.264 2.855 0 50 BFAA in-vitro Cc1c(CCCN)c2cccc3c2n1CCC3 5360934 DZUYNEWCVJCWCH-UHFFFAOYSA-N 228.339 2.787 0 50 BFAA Cc1ccc([C@H]2CC(=O)c3c(C)n[nH]c3C2)cc1 9185671 KIKNHUUQUMUDEP-GFCCVEGCSA-N 240.306 2.939 0 50 BFAA N=C(N)SCc1csc2c1CCCC2 12428271 PENJNDYNXRVCAW-UHFFFAOYSA-N 226.370 2.754 0 50 BFAA O=Cc1ccc2c(ccn2Cc2cccnc2)c1 20479401 BBTYLTXCELCDPC-UHFFFAOYSA-N 236.274 2.897 0 50 BFAA CC[C@H](O)CN1CCc2cc(F)ccc2[C@H]1C 240551697 GVLMHPPHZZJDSC-MFKMUULPSA-N 237.318 2.516 0 50 BFAA CCc1ccc(-c2noc(C(C)(C)O)n2)cc1 253428942 FWDNWEVQJIOWCE-UHFFFAOYSA-N 232.283 2.526 0 50 BFAA c1nc(CN2CC3(CCCCC3)C2)cs1 297358050 GNTPJTIEPYGAJF-UHFFFAOYSA-N 222.357 2.909 0 50 BFAA C[C@@](N)(Cc1ccccc1)C(F)(F)F 307434758 PELLNMJDXDTLMW-SECBINFHSA-N 203.207 2.509 0 50 BFAA CC(C)(C(=O)Nc1ccc(O)cc1)C(F)F 335689638 KGBVCXKHCQQQHO-UHFFFAOYSA-N 229.226 2.622 0 50 BFAA CO[C@@H](C)c1ccc(-c2ncccc2CN)cc1 426628373 ZSAIFNXCXYDOOR-NSHDSACASA-N 242.322 2.915 0 50 BFAA NCc1ccccc1Sc1ccccc1CO 56761 HLAFSNJRKZLMPT-UHFFFAOYSA-N 245.347 2.789 0 50 BFAA in-man CC(C)[C@@H](C)OC(=O)c1ccccc1C(=O)O 399618 AJRMLQSJNSDUHW-SECBINFHSA-N 236.267 2.586 0 50 BFAA CON(C(=O)OC(C)C)c1ccccc1 400490 ZZROKOPJNOONCW-UHFFFAOYSA-N 209.245 2.599 0 50 BFAA CCN(CC)C(=O)[C@H](C)Cc1ccccc1 409780 ZOPLQKBSKLODCX-GFCCVEGCSA-N 219.328 2.734 0 50 BFAA COC[C@H](C)NCc1ccc2ccccc2c1 766510 RRWXZVDCAUQCQC-LBPRGKRZSA-N 229.323 2.964 0 50 BFAA COc1cc(OC)cc([C@@H]2CCCCN2)c1 2582616 QAMGRJGTEMCVCW-ZDUSSCGKSA-N 221.300 2.518 0 50 BFAA CCCOc1ccc(/C=C\C(=O)O)cc1 4674339 WTYNDSOJMSGRQV-YVMONPNESA-N 206.241 2.573 0 50 BFAA CCNCCOc1cc(C)ccc1Cl 6703229 QFSGSGWWFNIYLH-UHFFFAOYSA-N 213.708 2.637 0 50 BFAA CCCCCCc1c(C)[nH]c(=S)[nH]c1=O 12653019 JZIKKXZRDBZPEE-UHFFFAOYSA-N 226.345 2.864 0 50 BFAA O=C(O)CSc1cccc(Br)c1 15442764 UNNRBTRSXFWJTG-UHFFFAOYSA-N 247.113 2.626 0 50 BFAA CC(=O)N[C@@H](CC(C)C)c1ccccc1 20490577 YEZMVKXWLNSARK-ZDUSSCGKSA-N 205.301 2.910 0 50 BFAA O=C(CCN1CCCCCC1)c1cccc(O)c1 23549787 YVGWIGKALFTUEK-UHFFFAOYSA-N 247.338 2.841 0 50 BFAA COC(=O)c1cccc(NC(=O)C(C)(C)C)c1C 29159031 PAJVPYLCSWRWJT-UHFFFAOYSA-N 249.310 2.766 0 50 BFAA Cn1c(Br)cc2ccccc21 95080177 LWZBTVYFUVWJLB-UHFFFAOYSA-N 210.074 2.941 0 50 BFAA CN(C)CCC[C@@H]1CCc2ccccc2C1=O 96027125 OVFPNIFDJWLVGQ-CYBMUJFWSA-N 231.339 2.774 0 50 BFAA c1csc(CNc2ccc3[nH]nnc3c2)c1 125147275 PYYGULUJGKUZOG-UHFFFAOYSA-N 230.296 2.632 0 50 BFAA Fc1ccc(Oc2cc(F)ncn2)cc1 149897644 HLIBFDAYWGSVLG-UHFFFAOYSA-N 208.167 2.547 0 50 BFAA COc1ccc2c(c1Cl)C(=O)CCC2 215087087 ITCQVGVXUWEVQF-UHFFFAOYSA-N 210.660 2.868 0 50 BFAA Cn1cc(Br)c2cc(Cl)ncc21 218419044 GKXMUJRHAFJFKN-UHFFFAOYSA-N 245.507 2.989 0 50 BFAA Nc1cc(Cl)ccc1C(=O)[C@H]1CCCOC1 225020656 VALKJXLEEVOACY-QMMMGPOBSA-N 239.702 2.532 0 50 BFAA in-vitro CCOC(=O)[C@@H]1CCCCN1[C@H]1CC[C@H](C)C1 338910393 LEPDWDXEVCKHTR-AVGNSLFASA-N 239.359 2.593 0 50 BFAA COc1cc(-c2cscc2C)nc(OC)n1 426473334 ATJHLBJCIWMINN-UHFFFAOYSA-N 236.296 2.531 0 50 BFAA O=Cc1cc(-c2noc(C3CCC3)n2)cs1 725273569 LTCNPSMYVMMTBJ-UHFFFAOYSA-N 234.280 2.878 0 50 BFAA CCN(C(C)C)[C@H]1CC(=O)CCC1(C)C 725359174 DHYMZQQEBSAZNF-LBPRGKRZSA-N 211.349 2.865 0 50 BFAA C[C@@H]1CC(C)(C)N(C)c2ccc(C(=N)N)cc21 1848442400 DESSFMMVFBQKLQ-SECBINFHSA-N 231.343 2.693 0 50 BFAA COc1cccc(Nc2nc(C)cc(C)n2)c1 1953145 AKFMGQHMEWUGAB-UHFFFAOYSA-N 229.283 2.846 0 50 BFAA O=C(CC(=O)c1ccccc1)Nc1ccccc1 2504360 XRZDIHADHZSFBB-UHFFFAOYSA-N 239.274 2.898 0 50 BFAA in-vitro CC(C)N1CCCc2cc(C=O)ccc21 2559706 ARIVOFOKXXHVJN-UHFFFAOYSA-N 203.285 2.660 0 50 BFAA in-vitro COc1cccc([C@H](C)NC(=O)[C@H]2C[C@@H]2C)c1 5696800 CXLVKRUTZUTCPU-KWBADKCTSA-N 233.311 2.528 0 50 BFAA COc1cccc(NC(=O)Nc2ccncc2)c1 6700017 HLGMGXVMXHNLPE-UHFFFAOYSA-N 243.266 2.734 0 50 BFAA CC(C)Oc1ccc(-c2cc(C(=O)O)[nH]n2)cc1 6855725 SICSHWHTMSMJPM-UHFFFAOYSA-N 246.266 2.562 0 50 BFAA c1ccc(-c2cc(-c3ccccn3)[nH]n2)nc1 14808554 IMDRKCUYKQQEAC-UHFFFAOYSA-N 222.251 2.534 0 50 BFAA in-vitro O[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 38588521 SDHDPMKOWGBAOY-CQSZACIVSA-N 224.263 2.645 0 50 BFAA in-vitro CCCC(=O)c1cc(OC)cc(OC)c1 71773862 FJDZRFNDHLKABM-UHFFFAOYSA-N 208.257 2.687 0 50 BFAA CCCOc1ccc(Br)nc1 72193031 WYYGEMJWLYTXMK-UHFFFAOYSA-N 216.078 2.633 0 50 BFAA CN(C)C(=O)c1ccc(-c2ccccc2N)cc1 74937784 YROKUIIRNXTBPM-UHFFFAOYSA-N 240.306 2.638 0 50 BFAA in-vitro COC(=O)c1ccc(C(F)(F)F)c2[nH]ccc12 91692860 SBPMXPHJBULNNS-UHFFFAOYSA-N 243.184 2.973 0 50 BFAA CC(CO)(CC(F)(F)F)CC(F)(F)F 110916226 QGISQGYDBLLMFT-UHFFFAOYSA-N 224.144 2.890 0 50 BFAA CC(=O)Nc1cc2ccccc2nc1C 143378036 YVRNMYJUJHJDON-UHFFFAOYSA-N 200.241 2.502 0 50 BFAA Cc1nc2ccccc2nc1CS[C@@H](C)CO 172981614 CIVUSEQGGPVEQV-VIFPVBQESA-N 248.351 2.552 0 50 BFAA CCN1C[C@H](C)[C@](O)(c2ccccc2)C[C@H]1C 239433267 XLCYCZFQMQVQNF-GUTXKFCHSA-N 233.355 2.624 0 50 BFAA CC(C)CCC(=O)O[C@@H](C)CC(C)(C)O 241720842 QSSSNOFLCMCMMP-JTQLQIEISA-N 216.321 2.515 0 50 BFAA Cc1nc2ccccc2nc1CSC[C@H](C)O 298323742 RNZCVQLVWHXKNJ-VIFPVBQESA-N 248.351 2.552 0 50 BFAA CCc1n[nH]cc1-c1ccc(OCCOC)cc1 426588805 CDKYXSGDKXXAMG-UHFFFAOYSA-N 246.310 2.664 0 50 BFAA Cc1ccc2n[nH]cc2c1[C@H]1C[C@H](C)CCN1 757208896 FBOCCMLEVSLRFB-NOZJJQNGSA-N 229.327 2.932 0 50 BFAA COc1cc2ccccc2cc1[C@H](C)O 1772575852 WCBCRDRIOSHBBG-VIFPVBQESA-N 202.253 2.902 0 50 BFAA CC1(C)CC[C@@H](N2CCc3nocc3C2)C1 1857668583 RWYWTHXWBPWTPB-LLVKDONJSA-N 220.316 2.611 0 50 BFAA Cc1c(CO)cccc1-c1ccoc1C=O 1875388234 RZYQFTOLCZDVKW-UHFFFAOYSA-N 216.236 2.560 0 50 BFAA CC1CCN(C(=O)c2cccs2)CC1 29171 OXFWLBDOZCXXAU-UHFFFAOYSA-N 209.314 2.620 0 50 BFAA O=C(O)c1csc(-c2ccccc2)n1 158872 IBUSLNJQKLZPNR-UHFFFAOYSA-N 205.238 2.508 0 50 BFAA biogenic,in-vitro CC(=O)N[C@H](C)c1nc2ccccc2n1C(C)C 200811 IBICGDODLANBBT-SNVBAGLBSA-N 245.326 2.814 0 50 BFAA O=C(O)CCC(=O)c1cccc2ccccc12 236510 YNEXYDHOGAIPHO-UHFFFAOYSA-N 228.247 2.887 0 50 BFAA in-vitro S=C(NCc1ccccc1)NC1CCCC1 468272 HPKUFPJUSNFYOB-UHFFFAOYSA-N 234.368 2.593 0 50 BFAA CC(C)NC[C@H](O)c1ccc2ccccc2c1 967921 HRSANNODOVBCST-HNNXBMFYSA-N 229.323 2.871 0 50 BFAA biogenic,world CCOC(=O)CSc1ccc(C)cc1 1399803 RJBCLDCLOCANCG-UHFFFAOYSA-N 210.298 2.650 0 50 BFAA CCCNC(=O)Nc1cccc(Cl)c1 1701534 FWSWKRZLBXDXIO-UHFFFAOYSA-N 212.680 2.872 0 50 BFAA Cc1c(F)cccc1C(=O)C(F)(F)F 2378585 QBNUSHRAWRQVIN-UHFFFAOYSA-N 206.138 2.879 0 50 BFAA NCCc1ccc(-c2ccc(F)cc2)cc1 2386700 OJGNLHTXAISWRB-UHFFFAOYSA-N 215.271 2.994 0 50 BFAA in-vitro O=C(O)/C=C/c1cc(F)cc(Cl)c1 2528410 XHRJSHYRAZWUNA-OWOJBTEDSA-N 200.596 2.577 0 50 BFAA O=C(O)c1cc(Cl)cc(OC(F)(F)F)c1 12359183 KVXQRRFQLRUCKN-UHFFFAOYSA-N 240.564 2.937 0 50 BFAA C[C@H](CN1CCCCC1)c1ccccn1 12383493 YYZLFDXOKOYCIU-GFCCVEGCSA-N 204.317 2.671 0 50 BFAA CCCCNC(=O)Cc1ccc(C)c(C)c1 13679389 KKWQMZWVXLVNMO-UHFFFAOYSA-N 219.328 2.762 0 50 BFAA COC(=O)c1cc(Cl)cc2[nH]ccc12 43220647 DJXHUOUZHKUEKC-UHFFFAOYSA-N 209.632 2.608 0 50 BFAA in-vitro C[C@H](O)c1cccc(Br)c1F 66309199 QFVPIDFXSBXICP-YFKPBYRVSA-N 219.053 2.642 0 50 BFAA CSc1nc(Cl)c(C)c(Cl)n1 86029367 HMZPZWSEUHDAKM-UHFFFAOYSA-N 209.101 2.814 0 50 BFAA CC(=O)CC(=O)c1ccc(Br)cc1 100035172 GIKXMINIUUFRFD-UHFFFAOYSA-N 241.084 2.611 0 50 BFAA in-vitro COC(=O)c1c(C)[nH]c2ccc(Cl)cc12 127682125 KIDKWAXCVMNPDL-UHFFFAOYSA-N 223.659 2.916 0 50 BFAA O=C(Cc1ccccc1F)Nc1ccncc1F 132274603 DNLPMFRKLYQUJL-UHFFFAOYSA-N 248.232 2.541 0 50 BFAA CNCc1ccc(OC(F)(F)F)c(Cl)c1 201680789 GIMRYSSDTHQZKH-UHFFFAOYSA-N 239.624 2.958 0 50 BFAA Cc1cc2c(cc1Br)CCC2=O 221705332 HLJKVJLEAGJIDK-UHFFFAOYSA-N 225.085 2.886 0 50 BFAA in-vitro C[C@H]1C[C@@H]1c1nc(-c2cnc3ccccn23)no1 225553434 LNMPVLLCUBCXLA-IUCAKERBSA-N 240.266 2.508 0 50 BFAA Fc1ccc(Br)nc1C(F)F 238566834 UIDOBGOJLVDHRJ-UHFFFAOYSA-N 225.995 2.921 0 50 BFAA O=C(O)c1c(Cl)cccc1OC(F)(F)F 238700492 QNWOOGZDSJZRTN-UHFFFAOYSA-N 240.564 2.937 0 50 BFAA CCc1nnc([C@H](C)N[C@@H]2CCCC[C@H]2C)o1 252511022 DCAJHUPVPJKRRP-OUAUKWLOSA-N 237.347 2.861 0 50 BFAA C[C@H]1C[C@@H](N[C@H](CO)c2ccco2)CC[C@H]1C 253369631 FWEBSLPARNZHNQ-MROQNXINSA-N 237.343 2.727 0 50 BFAA CCOC1(OCC)C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]21 254397419 CXXNIJGNUVQONK-BJDJZHNGSA-N 210.317 2.822 0 50 BFAA CC[C@H](C)C(=O)N/N=C1\C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 257364969 SIXOJNKPMKSKOB-DBZMUDBUSA-N 248.370 2.961 0 50 BFAA C[C@@H]1O[C@H](C)C[C@@H]1NCCCNc1ccccc1 294696910 GKJWMUKUZBTDBQ-IPYPFGDCSA-N 248.370 2.644 0 50 BFAA c1ncc(CN2CCCC23CCCCC3)[nH]1 335347611 LBFJQWKOTAKBBD-UHFFFAOYSA-N 219.332 2.708 0 50 BFAA CC[C@@H]1Nc2ccccc2[C@@H]2OCC[C@@H]12 393695380 GUSGKWWFAZQHTF-GVXVVHGQSA-N 203.285 2.968 0 50 BFAA biogenic C[C@H]1CCN(c2ncnc3[nH]ccc23)C[C@H](C)C1 443878399 LXZHMFRVVFINOL-WDEREUQCSA-N 244.342 2.830 0 50 BFAA C[C@@H](NC(=O)Cc1ccncc1)C1=CCCCC1 827989683 USIBYQXXYGKJFY-GFCCVEGCSA-N 244.338 2.629 0 50 BFAA CC1=NO[C@@H](CNCc2c(C)cccc2C)C1 877871132 LAJHPSFSYNSHKL-CYBMUJFWSA-N 232.327 2.558 0 50 BFAA CC(C)(C)c1cnc(N2CC[C@H](F)C2)o1 1615615428 WVOMLOYFFSKQMI-QMMMGPOBSA-N 212.268 2.520 0 50 BFAA C=CC(=O)N(C)[C@H](Cc1ccccn1)C(C)(C)C 1875365873 RDRJTMDNUNKVIY-CYBMUJFWSA-N 246.354 2.683 0 50 BFAA COc1cc2c(cc1-c1ccncc1F)OCO2 2356138989 UQUJYBYQHFEXGL-UHFFFAOYSA-N 247.225 2.625 0 50 BFAA O=C(O)CCc1ccc(-c2ccccc2)o1 132898 JKBUDDSGMWGQDN-UHFFFAOYSA-N 216.236 2.964 0 50 BFAA in-vitro C[C@@H](O)c1ccc(Br)cc1 388278 XTDTYSBVMBQIBT-ZCFIWIBFSA-N 201.063 2.502 0 50 BFAA in-vitro CC(=O)Nc1ccc2c(c1)Cc1cc(N)ccc1-2 393815 ZGXXXAPHAKMYLA-UHFFFAOYSA-N 238.290 2.798 0 50 BFAA CCSc1nc(=O)c2c(C)c(C)sc2[nH]1 480044 OHVDFNOOXVCYFH-UHFFFAOYSA-N 240.353 2.713 0 50 BFAA Cc1nc(-c2ccccc2)sc1CN 2563865 SBCPMNJUNGLHNL-UHFFFAOYSA-N 204.298 2.577 0 50 BFAA in-vitro CCOC(=O)[C@H](C)Oc1ccc(C)c(C)c1 2731915 XLOKDICDLAYRMD-NSHDSACASA-N 222.284 2.634 0 50 BFAA CCCCN(C)CCOc1ccc(OC)cc1 3003452 MJXBMXRBPQSPAP-UHFFFAOYSA-N 237.343 2.806 0 50 BFAA Cc1cc(C)c(-c2cnc(N)cn2)c(C)c1 32541355 UZDIZDQVMTYOEQ-UHFFFAOYSA-N 213.284 2.651 0 50 BFAA O=c1c2c(oc3ccccc13)CCCC2 39207516 OPRFTHPXVIXGNH-UHFFFAOYSA-N 200.237 2.672 0 50 BFAA Cc1cc(C)c(C)c(C(=O)N2CC=CC2)c1C 65452787 QAAGHFYTLLIFRQ-UHFFFAOYSA-N 229.323 2.932 0 50 BFAA Cc1ccc(C)c(-c2ncccc2CN)c1 82641949 HGMYDFZLPUMOOU-UHFFFAOYSA-N 212.296 2.824 0 50 BFAA Cc1cccc(N2CCO[C@H](c3ccco3)C2)n1 157924250 SJGPOJVQAZKJSB-ZDUSSCGKSA-N 244.294 2.561 0 50 BFAA CCc1nnc(CNc2ccc(F)c(CC)c2)o1 253417617 DGRLJBGBYQXGRA-UHFFFAOYSA-N 249.289 2.946 0 50 BFAA O=C(O)[C@]12CCCC[C@H]1CC(F)(F)C2 257820432 DDOHHAIDKXLPNH-CBAPKCEASA-N 204.216 2.677 0 50 BFAA CC(C)C(=O)c1c(C(C)C)nn2ccncc12 261508424 SHVIKLDQMMRUMK-UHFFFAOYSA-N 231.299 2.691 0 50 BFAA COCCC1(CNc2ncccn2)CCCCC1 274742789 FMWRHHFVPGRNFD-UHFFFAOYSA-N 249.358 2.876 0 50 BFAA CCN(C(=O)C1CCC1)c1ccccc1F 298424464 VGECNWNBOCKBMZ-UHFFFAOYSA-N 221.275 2.979 0 50 BFAA O=C(N[C@@H]1CC12CCCC2)[C@H]1CC=CCC1 334140199 DBQILQGTCAYZSW-NWDGAFQWSA-N 219.328 2.792 0 50 BFAA Cc1noc(/C=C/c2cccc(F)c2)n1 335909738 DFBQCMTXQGBELS-AATRIKPKSA-N 204.204 2.688 0 50 BFAA CCOc1ncccc1-c1nc(C)ccc1OC 426726968 WXONESHESCSNQO-UHFFFAOYSA-N 244.294 2.859 0 50 BFAA C=CC(=O)N[C@H]1C[C@@H](C)c2ccccc21 888102394 UNNDJBFQJLJXBU-SKDRFNHKSA-N 201.269 2.537 0 50 BFAA CCC1(CNC(=O)Nc2csnc2C)CC1 1615585392 DVFAVCPRMBPMRD-UHFFFAOYSA-N 239.344 2.763 0 50 BFAA Cc1cc(-c2nccn2[C@@H]2CC[C@H](O)C2)oc1C 1875248613 ARJUXZPWDUFGKB-NEPJUHHUSA-N 246.310 2.846 0 50 BFAA COc1cc2c(cc1OC)OC(C)(C)C=C2 56510 PTIDGSWTMLSGAH-UHFFFAOYSA-N 220.268 2.888 0 50 BFAA biogenic,in-vitro Cc1cccc(NC(=O)c2cccc(F)c2)n1 258827 PTDBRCLMCMYMHI-UHFFFAOYSA-N 230.242 2.781 0 50 BFAA COc1ccc(C(=O)Nc2ccccc2N)cc1 281656 BDYVCYUXCNZYRW-UHFFFAOYSA-N 242.278 2.530 0 50 BFAA in-vivo C[C@@H]1C[C@H]1C(=O)NCCc1ccc(Cl)cc1 372122 JLDUFFNPANUXPU-BXKDBHETSA-N 237.730 2.655 0 50 BFAA C[C@@H]1CCCCN1C(=S)NC1CCCC1 1123885 MOWYTGBIFWPLLM-SNVBAGLBSA-N 226.389 2.678 0 50 BFAA CCOc1ccc(C[C@H]2CCCCN2)cc1 3734666 VSZYZMILAJQEPZ-CYBMUJFWSA-N 219.328 2.770 0 50 BFAA in-vitro CCCc1c(C(=O)OCC)[nH]c2c1C(=O)CCC2 4488768 ZXSJHNOFPQCDGB-UHFFFAOYSA-N 249.310 2.663 0 50 BFAA O=c1[nH]c2ccc(NCc3ccsc3)cc2[nH]1 4842862 IAEMIMSCFNOLFD-UHFFFAOYSA-N 245.307 2.530 0 50 BFAA CCOP(=O)(OCC)C(=O)N1CCCCC1 5316330 GNDWLOBZJOGSFK-UHFFFAOYSA-N 249.247 2.858 0 50 BFAA CCCCS(=O)(=O)Nc1ccc(F)cc1C 6725679 YWLSCSAGMUWORZ-UHFFFAOYSA-N 245.319 2.676 0 50 BFAA Cc1ccccc1NC(=O)N[C@@H](C)[C@H]1CCCO1 6726193 DHHJFEJPNKVFIM-WCQYABFASA-N 248.326 2.684 0 50 BFAA COc1ccc(C[C@@H]2CCCCN2)cc1F 32099150 GFIVQSQCXIRIMK-NSHDSACASA-N 223.291 2.519 0 50 BFAA in-vitro O=C(O)c1cccc(-c2cc(F)ccc2F)n1 39927823 WRVCKFUPPIVQQM-UHFFFAOYSA-N 235.189 2.725 0 50 BFAA in-vitro CC(C)N[C@@H](C)C(=O)c1ccc(Cl)cc1 41609183 AZTFYJYLDIQSAG-VIFPVBQESA-N 225.719 2.909 0 50 BFAA in-vitro CC(C)c1nc2cc(Br)ccn2n1 91692175 MHAZTFDFZAAHDW-UHFFFAOYSA-N 240.104 2.615 0 50 BFAA in-vitro CC(C)OCCCNc1nnc(C(C)(C)C)o1 92064834 IMFYNMIXCRHGHE-UHFFFAOYSA-N 241.335 2.594 0 50 BFAA O=C(O)c1sc(Cl)cc1Br 98181025 UUFGVWIEWQOHBP-UHFFFAOYSA-N 241.493 2.862 0 50 BFAA O=C1[C@H]2CC[C@H]1c1c(F)c(F)c(F)c(F)c12 101049867 PRQHCVAXAMLDMF-IMJSIDKUSA-N 230.160 2.787 0 50 BFAA FC1(F)CC(Nc2ncnc3ccccc23)C1 277206411 QFMHZHNMWDEGTP-UHFFFAOYSA-N 235.237 2.839 0 50 BFAA Fc1cc(F)c2nc(Cl)ncc2c1 722736480 XWMZTIUHRJIWBC-UHFFFAOYSA-N 200.575 2.561 0 50 BFAA Oc1ncnc2[nH]cc(-c3cccc(Cl)c3)c12 2325823169 IGVFNHJUPJNQSN-UHFFFAOYSA-N 245.669 2.984 0 50 BFAA O=S(=O)(c1ccccc1)c1cccs1 115886 SRWXKQSZSIGHCO-UHFFFAOYSA-N 224.306 2.581 0 50 BFAA c1ccc(Cc2nc3ccccc3[nH]2)nc1 390283 KWPAMQYOBCDQCJ-UHFFFAOYSA-N 209.252 2.549 0 50 BFAA C[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)O 393618 LDRYOEIGQCIMEK-RXMQYKEDSA-N 235.066 2.845 0 50 BFAA biogenic CC(C)(C)NC(=S)Nc1cccc(F)c1 460315 UCNUGBFWAWHKAV-UHFFFAOYSA-N 226.320 2.911 0 50 BFAA COc1ccc(NC(=O)c2ccco2)c(C)c1 1052023 LTILHNUQAIYQBZ-UHFFFAOYSA-N 231.251 2.849 0 50 BFAA COc1ccc(CC[C@H](O)c2ccccn2)cc1 1398958 KHBYPDWUMSADNS-HNNXBMFYSA-N 243.306 2.756 0 50 BFAA Cc1cc(C)c(-c2cc(N)n[nH]2)cc1C 3886123 LXFDSPUKEJIJAZ-UHFFFAOYSA-N 201.273 2.584 0 50 BFAA CC(=O)Nc1nc(COc2ccccc2)cs1 4185943 RNIHVKVHRCJGBB-UHFFFAOYSA-N 248.307 2.681 0 50 BFAA c1ccc(OCCOCCN2CCCCC2)cc1 5684297 COHUDRJFHWOFKC-UHFFFAOYSA-N 249.354 2.568 0 50 BFAA CCCCSc1ccccc1C(N)=O 6703487 DVMHGBZNPKHGRM-UHFFFAOYSA-N 209.314 2.678 0 50 BFAA Clc1ccc([C@@H]2CSCCN2)cc1 19772782 DUVLSFRFDBIYIC-JTQLQIEISA-N 213.733 2.718 0 50 BFAA in-vitro Cc1nc2cc(OC(F)(F)F)ccc2[nH]1 27987176 BSROJRWZJKELNS-UHFFFAOYSA-N 216.162 2.770 0 50 BFAA in-vitro CCC(=O)NCc1cccc(-c2ccncc2)c1 32581997 DXEYRRKZPNGIDU-UHFFFAOYSA-N 240.306 2.775 0 50 BFAA Nc1cccc(Oc2ccc(C(=O)O)cc2)c1 90600614 XBSWHOWJHICZQW-UHFFFAOYSA-N 229.235 2.759 0 50 BFAA Nc1cc2c(Br)cccc2cn1 91692371 VZWSVFLRMXYQLA-UHFFFAOYSA-N 223.073 2.580 0 50 BFAA in-vitro C[C@@H](N)Cc1c[nH]c2cc(Cl)c(F)cc12 115662665 NLRUCNFHLCYFCM-ZCFIWIBFSA-N 226.682 2.850 0 50 BFAA C[C@H](NC(=O)c1c(O)cccc1F)c1ccco1 163638130 RMRAUVYKVJFXTK-QMMMGPOBSA-N 249.241 2.615 0 50 BFAA C[C@@]12[C@@H](C(=O)O)[C@]1([Si](C)(C)C)[C@H]1C=C[C@H]2C1 230008678 FRGMBCAWYUBFTI-QSXVKLJYSA-N 236.387 2.992 0 50 BFAA Cn1cccc1-c1n[nH]c(C2CCCCC2)n1 426477692 HGGDVGLHQQVXDB-UHFFFAOYSA-N 230.315 2.858 0 50 BFAA C=CC(=O)NCC(C1CCC1)C1CCC1 704465083 LULNPKOPFBWECH-UHFFFAOYSA-N 207.317 2.505 0 50 BFAA Cc1cc2c[nH]nc2cc1[C@@H]1NCCC[C@H]1C 757213894 RKPQHVLPUVLCTO-YMTOWFKASA-N 229.327 2.932 0 50 BFAA CCC[C@@H](C)OC(=O)c1cnc2cnccc2c1 888097506 MMDAVRSUBYSAPY-SNVBAGLBSA-N 244.294 2.975 0 50 BFAA CC(C)c1nccn1CCCNCc1ccoc1 952970207 TZOMFILYIPZDKH-UHFFFAOYSA-N 247.342 2.779 0 50 BFAA Cc1cc(C(F)(F)F)cc(C=O)c1F 1772718380 MDNKYIORSOLYFR-UHFFFAOYSA-N 206.138 2.965 0 50 BFAA C=CC(=O)NC[C@H]1CCC2(CCCCCC2)O1 1776007072 LJCFOUXXXVFAIM-GFCCVEGCSA-N 237.343 2.561 0 50 BFAA CCNC(=O)c1cnc2c(Cl)cccc2c1C 1875344922 QJBNGTQJMKJNCX-UHFFFAOYSA-N 248.713 2.946 0 50 BFAA Cc1cc(C(=O)NC2CCC3(CCC3)CC2)n[nH]1 2325781864 WPUHDHQSGFIUSH-UHFFFAOYSA-N 247.342 2.561 0 50 BFAA O=C(O)c1cccc(Cl)c1Br 2013314 SITHNMNGOHVILG-UHFFFAOYSA-N 235.464 2.801 0 50 BFAA in-vitro COC(=O)CC(=O)c1ccc(Cl)c(Cl)c1 2575894 HEHYOAAIZBKHJZ-UHFFFAOYSA-N 247.077 2.739 0 50 BFAA COc1ccccc1-c1ccccc1CC(=O)O 2581002 JRXHBMKIJWVBBN-UHFFFAOYSA-N 242.274 2.989 0 50 BFAA O=CC(=O)c1ccc(OCc2ccccc2)cc1 4204419 NAQJSTHMAKVWLA-UHFFFAOYSA-N 240.258 2.647 0 50 BFAA c1ccc2ncc(-c3ccncn3)cc2c1 67740122 IXSAPURSGZIKPM-UHFFFAOYSA-N 207.236 2.692 0 50 BFAA Fc1cccc(-c2c[nH]nc2C2CCNCC2)c1 67756546 CAARBUITNLBAEW-UHFFFAOYSA-N 245.301 2.683 0 50 BFAA COC(=O)CCC(=O)c1ccc(SC)cc1 82721845 SFYLSDXIWQUUMY-UHFFFAOYSA-N 238.308 2.544 0 50 BFAA in-vitro CCn1nc(C)c2c1Oc1ccccc1C2 96027718 WCKSPZBHNYCZSK-UHFFFAOYSA-N 214.268 2.908 0 50 BFAA Cc1cc(Cl)cc(NC(=O)[C@H]2C[C@H]2C)c1O 112640857 JJVCXKAORXJZCJ-MUWHJKNJSA-N 239.702 2.949 0 50 BFAA C[C@H](N[C@@H]1CCC[C@H]1CO)c1ccccc1F 245339215 RGZVTHKOFJMHRZ-COPLHBTASA-N 237.318 2.637 0 50 BFAA C[C@H](C[C@H]1CCCO1)N[C@H](C)c1ccco1 252486517 KNXQBDBJRRLPMW-IJLUTSLNSA-N 223.316 2.888 0 50 BFAA Oc1ccc(F)c(OC2CCCC2)c1F 261494452 YBKSRXBQGSWBNI-UHFFFAOYSA-N 214.211 2.992 0 50 BFAA O=c1oc(-c2ccccc2F)nc2ccccc12 99966 UHJQEWLULUOONU-UHFFFAOYSA-N 241.221 2.994 0 50 BFAA Cc1cc(C)nc(Nc2ccc(C(=O)O)cc2)n1 150077 YVQYEHFOENIYSU-UHFFFAOYSA-N 243.266 2.535 0 50 BFAA CC1(C)CNC(C)(C)[C@H]2c3ccccc3N[C@@H]21 271582 SRAZHGXLNZUJMK-STQMWFEESA-N 230.355 2.972 0 50 BFAA COCC(=O)Nc1cccc(Cl)c1Cl 363472 CPPXQEMDTDIZMQ-UHFFFAOYSA-N 234.082 2.578 0 50 BFAA O=S(=O)(Cc1ccccc1)Cc1ccccc1 389634 AWHNUHMUCGRKRA-UHFFFAOYSA-N 246.331 2.802 0 50 BFAA biogenic CCCC(=O)c1ccccc1NC(C)=O 398467 KEEVFPBLSSXEDO-UHFFFAOYSA-N 205.257 2.628 0 50 BFAA C[C@@H]1CCC[C@H](NC(=O)c2ccccc2)C1 406292 BSTHPONDLDGVEB-YPMHNXCESA-N 217.312 2.995 0 50 BFAA Clc1ccc(NC2CCCCC2)nn1 1346276 PMMCLFWZCPFXAP-UHFFFAOYSA-N 211.696 2.875 0 50 BFAA O=[S@@]1CCCS[C@H]1c1ccccc1 4800545 JLNVOXAMHSCFHV-MFKMUULPSA-N 212.339 2.571 0 50 BFAA CNC(=S)Nc1ccccc1C(F)(F)F 4810859 KKRGFWKTZCXWSS-UHFFFAOYSA-N 234.246 2.622 0 50 BFAA CC(=O)Nc1cc(C(F)(F)F)ccc1F 5051282 JXNQWKKPMBQUHS-UHFFFAOYSA-N 221.153 2.803 0 50 BFAA O=C1CCCC[C@H]1CNc1ccccc1 5331837 OFNHBCJJEJFKDQ-NSHDSACASA-N 203.285 2.858 0 50 BFAA CCCCc1ccc(C(=O)NC2CC2)cc1 13329254 CNOPIWCDTNUSMV-UHFFFAOYSA-N 217.312 2.921 0 50 BFAA COC(=O)c1cncc(-c2cccc(C)c2)c1 16946693 ZMHWOBKZPKAZBY-UHFFFAOYSA-N 227.263 2.844 0 50 BFAA Cc1ccc(-c2cccc(-c3ccn[nH]3)c2)nn1 23231301 KHEKBBUKIKXDNY-UHFFFAOYSA-N 236.278 2.842 0 50 BFAA NCc1ccc(Br)cc1Cl 37366872 IDCCCALUDZWGIS-UHFFFAOYSA-N 220.497 2.561 0 50 BFAA in-vitro O=Cc1nc2cc(Br)ccc2s1 64033373 NQPMLGVPEPOVRW-UHFFFAOYSA-N 242.097 2.871 0 50 BFAA CC[C@H](N[C@H](C)CO)c1cccc(Cl)c1F 135042557 OSFACSNLGUTYCU-KCJUWKMLSA-N 245.725 2.901 0 50 BFAA COC(=O)c1cccc2c(OC)cccc12 150334784 ICNZNTLYQXGXQW-UHFFFAOYSA-N 216.236 2.635 0 50 BFAA Cc1cccc(NCCc2ncc(C)s2)n1 157715340 HSHHHZASDHGUNR-UHFFFAOYSA-N 233.340 2.810 0 50 BFAA N[C@H]1CC[C@H](NCc2ccccc2Cl)CC1 242723208 YGRRSYLHHMHJBP-HAQNSBGRSA-N 238.762 2.700 0 50 BFAA Cc1ccnc(C)c1NC(=O)C1C[C@@H]2C[C@H]2C1 306089588 LHEQMRNQZMMUKL-QWRGUYRKSA-N 230.311 2.683 0 50 BFAA Cc1cc2c[nH]nc2cc1[C@@H]1CCNC[C@H]1C 757211057 JAHLFVMIPVPWFH-ZYHUDNBSSA-N 229.327 2.584 0 50 BFAA C=CC(=O)NC[C@@H]1CCCCC(F)(F)C1 952884418 CTYQZABWTVQVGX-SECBINFHSA-N 217.259 2.504 0 50 BFAA N[C@@H](c1nccs1)C1(O)CCCCCCC1 958528022 MKDKGLXVPLMTCO-JTQLQIEISA-N 240.372 2.618 0 50 BFAA CCc1c(C)nn(C)c1NC(=O)[C@H]1CC=CCC1 1506422026 ZMDDAEGKUCSNHD-NSHDSACASA-N 247.342 2.586 0 50 BFAA Clc1cnccc1-c1nccn1C1CC1 1875251562 VPQABDBRFALKOX-UHFFFAOYSA-N 219.675 2.933 0 50 BFAA Cc1[nH]nc(CNc2cnc3c(c2)CCC3)c1C 1875270229 VAWDXCHFSADVEI-UHFFFAOYSA-N 242.326 2.522 0 50 BFAA CC(=O)N1CC[C@H](c2ccc(F)c(F)c2)[C@H]1C 1875288911 KXMOKDLALOFVOV-KCJUWKMLSA-N 239.265 2.689 0 50 BFAA Cc1cc(C(=O)N2CC[C@@H]2c2ccccc2)c[nH]1 1875289022 PQFCVVRJZUIPNL-CQSZACIVSA-N 240.306 2.910 0 50 BFAA c1coc(-c2cc(-c3ccncc3)[nH]n2)c1 2325870488 ZKFBLURCEOGULO-UHFFFAOYSA-N 211.224 2.732 0 50 BFAA CC(=O)SC[C@H](C)C(=O)Nc1ccccc1 281158 POOHUDYDBYYUQO-VIFPVBQESA-N 237.324 2.541 0 50 BFAA CCn1c(-c2ccc(C)cc2)n[nH]c1=S 314309 NEUNTOCSKRVRJI-UHFFFAOYSA-N 219.313 2.936 0 50 BFAA in-vitro Cc1ccc(C(=O)Nc2ccc(N)cc2O)cc1 395031 XAHAZTMHARGVKP-UHFFFAOYSA-N 242.278 2.535 0 50 BFAA Clc1ccc(CNc2cnccn2)cc1 402264 TYIVUMPBFZGFPS-UHFFFAOYSA-N 219.675 2.742 0 50 BFAA CC(=O)c1c(C)cc2cccc(O)c2c1O 899620 DMLHPCALHMPJHS-UHFFFAOYSA-N 216.236 2.762 0 50 BFAA biogenic,in-vitro C[C@H]1CCCN(C(=O)c2c(F)cccc2F)C1 1055066 XPNHUIWKBJVXIW-VIFPVBQESA-N 239.265 2.837 0 50 BFAA O=C(Cc1cccs1)NCc1ccccc1 1506659 BOACWSKTTGEFHR-UHFFFAOYSA-N 231.320 2.607 0 50 BFAA Cc1cccc(I)c1C 2168544 DANMWBNOPFBJSZ-UHFFFAOYSA-N 232.064 2.908 0 50 BFAA in-vitro c1cn2cc(-c3ccc4c(c3)OCO4)nc2s1 2534095 HYXXORLKYUZUGN-UHFFFAOYSA-N 244.275 2.792 0 50 BFAA CNCCOc1cc(C)cc(C(C)C)c1 2844503 JPMJKKWMLCFDPM-UHFFFAOYSA-N 207.317 2.717 0 50 BFAA O[C@H](c1ccccc1)c1cccc(F)c1 4255868 ILYUNJUNPZKDOD-CYBMUJFWSA-N 202.228 2.907 0 50 BFAA COc1ccc(-c2cc(C(C)(C)O)on2)cc1 4344109 YTRUYUMIQVLDSI-UHFFFAOYSA-N 233.267 2.578 0 50 BFAA C[C@@H](NC(=O)Cc1ccccc1)C(C)(C)C 12381101 OYTAYNCYRSCWOI-LLVKDONJSA-N 219.328 2.780 0 50 BFAA CC(=O)NCc1ccc(Cl)cc1Cl 20238694 DGGQKZIDIVYLQO-UHFFFAOYSA-N 218.083 2.630 0 50 BFAA O=Cc1ccccc1OCc1cscn1 20254036 UZQZUWJTHSCYGV-UHFFFAOYSA-N 219.265 2.535 0 50 BFAA in-vitro Cc1nc(Cl)c(Br)c(Cl)n1 20358079 NUVJPDWOENRVSF-UHFFFAOYSA-N 241.903 2.854 0 50 BFAA in-vitro CC(C)(C)OC(=O)N1CCOc2ccccc21 34538331 OBHIVFAYYDULPQ-UHFFFAOYSA-N 235.283 2.821 0 50 BFAA COC(=O)c1cccc(-c2ncccc2F)c1 65499340 MOZFNBDKOQJOKR-UHFFFAOYSA-N 231.226 2.674 0 50 BFAA CC[C@H](NC(=O)c1ccc[nH]1)c1cccs1 71759158 WAQZPOFPSHCWJE-VIFPVBQESA-N 234.324 2.957 0 50 BFAA COc1ccc2c(n1)N[C@H](c1ccccc1)CN2 134251339 RVEAONVZRPGGBY-LBPRGKRZSA-N 241.294 2.669 0 50 BFAA C=CC(=O)N[C@@H]1CCC[C@H]2CCCC[C@@H]21 139635624 LKPFVVUIGDXNNU-GRYCIOLGSA-N 207.317 2.648 0 50 BFAA CC[C@H](C(=O)O)C1CC(C)(C)NC(C)(C)C1 196972745 FGXZNHOTGVPVGM-JTQLQIEISA-N 227.348 2.654 0 50 BFAA O=[N+]([O-])c1cc(Cl)nc(-c2ccccn2)c1 236040670 RDXRKYGUHSUPIY-UHFFFAOYSA-N 235.630 2.705 0 50 BFAA C[C@@H]1C[C@@H]1C(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21 252212546 YLSHQKYEVVSIEL-NAWOPXAZSA-N 221.344 2.822 0 50 BFAA CCC[C@@H](NCC)C(=O)c1ccc(OC)cc1 575598497 HUCVECBJRKKMRN-CYBMUJFWSA-N 235.327 2.656 0 50 BFAA in-vitro Cc1nocc1C(=O)Nc1cncc(C(C)C)c1 888237214 WRSSLCMJGZFSJI-UHFFFAOYSA-N 245.282 2.754 0 50 BFAA CCNC(=O)c1cc2cc(C)[nH]c2cc1Cl 2325807727 PGEONTLVVVVMPJ-UHFFFAOYSA-N 236.702 2.879 0 50 BFAA C[C@H]1CCCCN1C(=O)c1c(F)cccc1F 444519 LOCJFGPYHWEXOR-VIFPVBQESA-N 239.265 2.979 0 50 BFAA COc1ccc2c(c1Br)C(=O)CC2 2519660 VRVDFHCIYLDELF-UHFFFAOYSA-N 241.084 2.587 0 50 BFAA Cc1csc(-c2cccc(CN)c2)n1 11851544 NDPPDLXQPDFMAB-UHFFFAOYSA-N 204.298 2.577 0 50 BFAA c1ccc(-c2cnc(N3CCCC3)cn2)cc1 12357186 WHYKKVDUOXOPAX-UHFFFAOYSA-N 225.295 2.744 0 50 BFAA O=C(O)c1ccc(-c2ccc(F)cc2)nc1 12955819 LJIXMNTVEKBCRG-UHFFFAOYSA-N 217.199 2.586 0 50 BFAA Cc1ccc(C(=O)NCc2ccco2)s1 13328592 VBXIMSUKBZUANM-UHFFFAOYSA-N 221.281 2.580 0 50 BFAA CNC(=O)c1ccccc1CCc1ccccc1 13688201 WZOIRNSYSIKWAU-UHFFFAOYSA-N 239.318 2.831 0 50 BFAA Fc1ccccc1OCCNCc1ccco1 16193327 RROSSKRUFAYDDQ-UHFFFAOYSA-N 235.258 2.587 0 50 BFAA Nc1ccnn1Cc1ccccc1C(F)(F)F 19091173 FRVGKUCNEILPOV-UHFFFAOYSA-N 241.216 2.532 0 50 BFAA in-vitro CCOP(=O)(OCC)[C@H](N)c1ccccc1 19798331 KVEBNTWOYMYORY-NSHDSACASA-N 243.243 2.910 0 50 BFAA Nc1cccc2cc(Br)cnc12 34469619 NDROWMOVSVLHDO-UHFFFAOYSA-N 223.073 2.580 0 50 BFAA in-vitro OCCCSc1ccc(Br)cc1 35114369 RQMJZYLVSPXCFD-UHFFFAOYSA-N 247.157 2.924 0 50 BFAA CCCCOc1c(N)ccc(F)c1F 53168296 SVSDYNGJRKOJBA-UHFFFAOYSA-N 201.216 2.726 0 50 BFAA Cc1ccc(CNCc2ccncc2)s1 54958174 WWTLIMSYMOPQDJ-UHFFFAOYSA-N 218.325 2.741 0 50 BFAA c1ccc2c(c1)CCC1(CCNCC1)C2 62951082 SCKKSBKKYTXPDW-UHFFFAOYSA-N 201.313 2.545 0 50 BFAA in-vitro OCc1ccnc(-c2cccc3cnccc23)c1 65534736 YMNKTUFCCAGWPT-UHFFFAOYSA-N 236.274 2.789 0 50 BFAA C1=CC[C@H](CNc2ccc3[nH]nnc3c2)CC1 120471454 RNLPQYLFWWIPAR-JTQLQIEISA-N 228.299 2.726 0 50 BFAA CC[C@@H](CO)NC1CC(C)(C)CC(C)(C)C1 163982438 VBYGRFZJNMYUFO-NSHDSACASA-N 227.392 2.952 0 50 BFAA CC(C)CCCN(C)C(=O)c1c[nH]nc1C1CC1 252498463 RCRJYWRRGMJIFZ-UHFFFAOYSA-N 249.358 2.795 0 50 BFAA C[C@@H](c1cccs1)N(C)CCc1cncn1C 253429616 NWKODQQICZYGKU-NSHDSACASA-N 249.383 2.717 0 50 BFAA CCC(=O)N1CCC(CC(F)(F)F)CC1 335940411 GKRMNEWKVBMSBZ-UHFFFAOYSA-N 223.238 2.587 0 50 BFAA CC(C)N1CC[C@H](n2cc3ccccc3n2)C1 371575189 ZRBVAZRGPMKLTG-ZDUSSCGKSA-N 229.327 2.692 0 50 BFAA O=C1CCN(CC2=CCCC2)c2ccccc2N1 645828496 UKLUPIAHWQKKHU-UHFFFAOYSA-N 242.322 2.946 0 50 BFAA CC[C@]12C[C@H]1CN(C(=O)c1cc(C(C)C)on1)C2 1772814616 KAJAVZRBOISEMB-IINYFYTJSA-N 248.326 2.670 0 50 BFAA C1=C[C@H](n2ccnc2-c2cnsc2)CC1 1875247211 FVNFQWOWNQSCFT-JTQLQIEISA-N 217.297 2.898 0 50 BFAA FC(F)CN1CCOCC[C@H]1c1ccccc1 1875292716 QPGSKBKNMKYROZ-LBPRGKRZSA-N 241.281 2.715 0 50 BFAA O=[N+]([O-])/C=C/c1ccc(Br)cc1 56883 LSGVHLGCJIBLMB-AATRIKPKSA-N 228.045 2.697 0 50 BFAA Fc1ccc(Cn2nnc3ccccc32)cc1 148719 LYLXLYIBPQKLIU-UHFFFAOYSA-N 227.242 2.619 0 50 BFAA C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1CC1 281183 XAGAWVUMMWZXRR-JTQLQIEISA-N 242.322 2.625 0 50 BFAA biogenic CCOC(=O)c1cccc(C(F)(F)F)c1 2170322 MHNBTKIAHHECCQ-UHFFFAOYSA-N 218.174 2.882 0 50 BFAA in-vitro OC1C(Cl)(Cl)CCCC1(Cl)Cl 3861358 RORBTKDJFQCFMD-UHFFFAOYSA-N 237.941 2.879 0 50 BFAA in-vitro CCc1c(C)nn(-c2ccc(C(=O)O)cc2)c1C 4384461 GHFKRELXCJQVNP-UHFFFAOYSA-N 244.294 2.750 0 50 BFAA CCNc1ncnc2c1oc1ccccc12 4476206 QVSDVCJMRMYMQE-UHFFFAOYSA-N 213.240 2.808 0 50 BFAA O[C@H]1CCCCCCCCCC[C@H]1O 4773220 HAMFVYJFVXTJCJ-TXEJJXNPSA-N 200.322 2.623 0 50 BFAA in-vitro CC(C)C(=O)N[C@H](C)CCc1ccccc1 5906031 JBKUUYXQAJXVSA-GFCCVEGCSA-N 219.328 2.780 0 50 BFAA Cc1cc(C)cc(C(=O)N[C@H](C)[C@H]2CCCO2)c1 16604691 MFDLETVRXNHKDX-TZMCWYRMSA-N 247.338 2.601 0 50 BFAA Clc1sc(Cl)c2c1OCCO2 22016734 UOJXEABHQWNIKN-UHFFFAOYSA-N 211.069 2.826 0 50 BFAA in-vitro COc1ccccc1[S@@](=O)c1ccccc1 44139393 FOYIPSPJAHHQKW-MRXNPFEDSA-N 232.304 2.862 0 50 BFAA Fc1cccc(CC[C@H]2CCCNC2)c1 51074278 PCXKXICZCAYOGM-GFCCVEGCSA-N 207.292 2.758 0 50 BFAA COC(=O)c1cnc(-c2ccccc2)s1 58038038 RRDBEPHWFIYCQH-UHFFFAOYSA-N 219.265 2.597 0 50 BFAA in-vitro CC(C)Oc1ccc(Br)nc1 72193032 CUYHLTYVNBUNMW-UHFFFAOYSA-N 216.078 2.631 0 50 BFAA in-vitro O=C1CCc2cc(Br)c(F)cc21 95935689 NPJWOVWPFKCPHM-UHFFFAOYSA-N 229.048 2.717 0 50 BFAA Oc1cc(C(F)(F)F)nn1-c1ccccc1 100004939 CGMKIOXMUMZDAP-UHFFFAOYSA-N 228.173 2.597 0 50 BFAA O=C(O)c1ccc([C@@H]2CCCCO2)cc1 114471573 ODKQMSQJUNZMFM-NSHDSACASA-N 206.241 2.626 0 50 BFAA Cc1ccc2[nH]c(=O)ccc2c1Br 143996374 NBROUSPITUKLCY-UHFFFAOYSA-N 238.084 2.599 0 50 BFAA CCN(Cc1ccccc1)[C@H]1CC[C@H](N)CC1 245204508 CMFAWHXFZMVYBW-SHTZXODSSA-N 232.371 2.778 0 50 BFAA CCC(=O)Nc1ccc(-n2cnc(C)c2C)cc1 291205871 NOKUBBSVYUXSLM-UHFFFAOYSA-N 243.310 2.838 0 50 BFAA FC(F)(F)c1nc2c(Cl)ncnc2s1 306216126 PKIBXPRWWDIQAS-UHFFFAOYSA-N 239.609 2.759 0 50 BFAA O=C(O)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F 328579392 FJFORPKGTCBBPR-GHNGIAPOSA-N 222.206 2.686 0 50 BFAA CNC(=O)c1ccccc1-c1ccccc1F 426677335 AWLFXJVEYSNRHO-UHFFFAOYSA-N 229.254 2.852 0 50 BFAA CCc1cccc(CNC(C)(C)CC(=O)O)c1 569375130 DSVYFRNYVMIRFV-UHFFFAOYSA-N 235.327 2.592 0 50 BFAA FCC[C@@H]1CCCN(c2ncnc3[nH]ccc23)C1 664412450 DLXMPBZKGNFXHA-JTQLQIEISA-N 248.305 2.534 0 50 BFAA Cc1ccc(-c2noc(C3CC3)c2C(=O)O)o1 675057581 JUBVHZBITVHGFP-UHFFFAOYSA-N 233.223 2.819 0 50 BFAA C[C@H]1CCC(=O)C[C@@H]1Oc1ccccc1 725362967 WKIIXDFFDFBOQZ-GWCFXTLKSA-N 204.269 2.823 0 50 BFAA C=CC(=O)N1CC[C@H](c2ccccc2)O[C@@H](C)C1 1776007128 JGMOYYVCKUFJHK-GXTWGEPZSA-N 245.322 2.551 0 50 BFAA O=C(Nc1cccc2ncccc12)C1(F)CC1 2325815835 UBIZSWQRZXJVDA-UHFFFAOYSA-N 230.242 2.675 0 50 BFAA COc1ccc(N(C)C(=O)c2ccco2)cc1 472138 KWZIPNWXCQNQQY-UHFFFAOYSA-N 231.251 2.565 0 50 BFAA COc1ccc(Oc2ccccc2CN)cc1 2513064 YEEWZCUSZZBOII-UHFFFAOYSA-N 229.279 2.946 0 50 BFAA in-vitro CCCc1ccc(OCCNC(=O)CC)cc1 2839687 ZWWUOXRZGGSEDU-UHFFFAOYSA-N 235.327 2.544 0 50 BFAA Cc1cc(F)c(F)c(C(=O)NC2CC2)c1Cl 2864478 NASRHFROZNPEAF-UHFFFAOYSA-N 245.656 2.819 0 50 BFAA COc1ccc(C(=O)N2CCCCC2)cc1C 14292020 VKGZMRRWPCJRCH-UHFFFAOYSA-N 233.311 2.630 0 50 BFAA CCOC(=O)C(F)(F)c1cc(F)cc(F)c1 31829520 RDMLTCOKHPCPJA-UHFFFAOYSA-N 236.164 2.620 0 50 BFAA CCCCOc1ccc(NC(N)=S)cc1 33508084 MWKFDFSVYXECSU-UHFFFAOYSA-N 224.329 2.521 0 50 BFAA Brc1ccccc1Cn1ccnc1 39438756 OXQPWBLBKUIDOU-UHFFFAOYSA-N 237.100 2.694 0 50 BFAA O=C1CC[C@@]2(CCCC[C@H]2c2ccccc2)N1 44124790 SNDDYBGPSCGBOE-DZGCQCFKSA-N 229.323 2.993 0 50 BFAA COCc1ccc(Br)c(F)c1 44830808 FCRIACNFIULRHL-UHFFFAOYSA-N 219.053 2.735 0 50 BFAA in-vitro CCc1nc(C)c(-c2nc3ccccc3n2C)[nH]1 55088630 GKNNKBYZVVZFTO-UHFFFAOYSA-N 240.310 2.834 0 50 BFAA CC1(C)CC(=O)Nc2ccc(Cl)cc21 95496147 RZYWXQQLMVXGQY-UHFFFAOYSA-N 209.676 2.960 0 50 BFAA in-vitro COCc1noc(C23CC4CC(CC(C4)C2)C3)n1 170651572 ADCYRRGLKOZEFU-UHFFFAOYSA-N 248.326 2.684 0 50 BFAA O=C1NCC[C@H]1Cc1cccc2ccccc12 229433272 KHKKHHIMHSZDOG-ZDUSSCGKSA-N 225.291 2.518 0 50 BFAA C[C@H](c1cccc(O)c1)[C@@H]1CCCN(C)C1 258933458 QUQYNKHJLPHOKN-DGCLKSJQSA-N 219.328 2.838 0 50 BFAA COC(=O)Cc1cc(F)c(Cl)cc1Cl 263623012 CVGSQPUUGWFNCC-UHFFFAOYSA-N 237.057 2.848 0 50 BFAA Oc1c(Br)ccc(F)c1Cl 306437764 KNSVISZQMGLUSR-UHFFFAOYSA-N 225.444 2.947 0 50 BFAA C1CC2(C1)CC(N[C@H]1CCO[C@@H](C3CC3)C1)C2 334796210 DVVBZKFDGDUPPR-GXTWGEPZSA-N 235.371 2.866 0 50 BFAA COC(C)(C)c1noc([C@@H]2C[C@H]3CC[C@H]2C3)n1 349784234 SNDFFSQRKBXOAZ-LPEHRKFASA-N 236.315 2.855 0 50 BFAA CCc1c(-c2ccc(OC)c(OC)c2)cnn1C 426441676 ASEBEIGGVWMSFX-UHFFFAOYSA-N 246.310 2.667 0 50 BFAA C[C@@H](CCO)NCC1(c2ccccc2)CCCC1 584891820 QUOCOPJUDBNRAP-AWEZNQCLSA-N 247.382 2.859 0 50 BFAA Cc1nc(CN2CCC3(CCCC3)C2)n(C)c1C 670472670 LYFIYUYSHLVEAU-UHFFFAOYSA-N 247.386 2.803 0 50 BFAA Cc1nc(-c2c[nH]nc2C)c2sccc2n1 1240517150 KPFHHEOWEQDABC-UHFFFAOYSA-N 230.296 2.698 0 50 BFAA Cc1c(F)ccc2[nH]c(C(=O)NC3CC3)cc12 2325769738 GGKUOFYNOQTRIC-UHFFFAOYSA-N 232.258 2.508 0 50 BFAA CC[C@@H](C)c1ccc(OCC(=O)O)cc1 568657 AMFQZVLREQJRQU-SECBINFHSA-N 208.257 2.664 0 50 BFAA in-vitro COc1ccccc1/C=C/C(=O)N1CCCCC1 573322 ABJWBHHWQDWHJS-MDZDMXLPSA-N 245.322 2.721 0 50 BFAA COC(=O)c1sc2ccccc2c1C 1701111 FDBXIMKCWBPTDG-UHFFFAOYSA-N 206.266 2.996 0 50 BFAA Cc1ccc(-c2ccc(C=O)o2)cc1C(=O)O 6033109 HKNPVCQQDJXOGA-UHFFFAOYSA-N 230.219 2.766 0 50 BFAA COc1ccc(CN(C)C(=O)c2ccco2)cc1 6697092 JBNXAXACYOMYDN-UHFFFAOYSA-N 245.278 2.560 0 50 BFAA CC(C)(C)C(=O)N1CCCc2cc(N)ccc21 12364923 JYMSOGPWHDGQPP-UHFFFAOYSA-N 232.327 2.594 0 50 BFAA O=Cc1ccccc1OCCCCn1ccnc1 19094241 VQYFXWXCZMIEAN-UHFFFAOYSA-N 244.294 2.555 0 50 BFAA in-vitro C[C@H]1CCC[C@@H](C)N1C[C@@H]1CCCCCN1 22204576 DPQMTMQEYUBYSU-MJBXVCDLSA-N 224.392 2.782 0 50 BFAA Cc1cc(Cl)cc2cc(C(=O)O)cnc12 32099562 AZUBVKRZQUUAAX-UHFFFAOYSA-N 221.643 2.895 0 50 BFAA in-vitro CC[C@H](C)NC(=O)CCc1ccc(F)cc1 62063108 GWCICTKREAZZBL-JTQLQIEISA-N 223.291 2.673 0 50 BFAA CCCNC(=O)COc1ccccc1C(C)C 65365452 PIFHNWVRZCHQBJ-UHFFFAOYSA-N 235.327 2.715 0 50 BFAA COc1cc(Br)c(Cl)cn1 81991097 RSSHUQXUQXYECT-UHFFFAOYSA-N 222.469 2.506 0 50 BFAA in-vitro CCOCC1(CNc2ncnc(C)c2C)CCC1 92045715 IYTPKXQJMVBVHA-UHFFFAOYSA-N 249.358 2.712 0 50 BFAA O=Cc1ccccc1CO[C@H]1CCCCO1 96024994 FEGNADMYWSPCJP-ZDUSSCGKSA-N 220.268 2.542 0 50 BFAA Cc1c[nH]nc1CNc1cnc2c(c1)CCCC2 685620251 JUNZKJSGORKYMQ-UHFFFAOYSA-N 242.326 2.604 0 50 BFAA CC[C@@H](CO)N(CC=C(C)C)Cc1cccnc1 952990245 UHVREOPSHYIRFT-HNNXBMFYSA-N 248.370 2.621 0 50 BFAA Cc1ccc(NC(=O)c2ccccc2)c(N)c1 225962 UAPLIDKCIZPXGL-UHFFFAOYSA-N 226.279 2.830 0 50 BFAA in-vitro CSc1nc(C)c2cc(C)ccc2n1 261059 NTYZDBUXHZMUAM-UHFFFAOYSA-N 204.298 2.969 0 50 BFAA CCn1c(=O)n(CC)c2cccc3cccc1c32 309911 GGJMKLZRNHEOJQ-UHFFFAOYSA-N 240.306 2.996 0 50 BFAA O=C(Nc1ccccc1O)c1ccc(F)cc1 362824 MAZZJCMNIVMKEF-UHFFFAOYSA-N 231.226 2.784 0 50 BFAA CC[C@@H](C(=O)n1cccn1)c1ccccc1 474071 GNVJCCFXOWCKFS-GFCCVEGCSA-N 214.268 2.717 0 50 BFAA CCCCNC(=O)Nc1cccc(C)c1 2171724 FRQCXFQYBFXDIH-UHFFFAOYSA-N 206.289 2.917 0 50 BFAA CC(=O)c1ccc(C(F)(F)F)nc1C 2513526 SLRPZQQYFZSWBO-UHFFFAOYSA-N 203.163 2.611 0 50 BFAA CC(C)(C)c1cc(N)n(-c2ccccc2F)n1 2527264 SIUZCLHYTJLOSG-UHFFFAOYSA-N 233.290 2.891 0 50 BFAA CN1C[C@@H]2CCCO[C@@H]2c2ccccc21 5328893 QZIRJZYDWHZQFQ-GWCFXTLKSA-N 203.285 2.604 0 50 BFAA Cc1cc(Cl)c(N)c(Br)c1 36532690 RCJDTZYWSMKAMI-UHFFFAOYSA-N 220.497 2.993 0 50 BFAA in-vitro Clc1nc(Cl)c2c(n1)CCCC2 39252736 KBAXPKVNVXMVKV-UHFFFAOYSA-N 203.072 2.662 0 50 BFAA in-vitro NC(=O)CCc1cccc(-c2ccc(F)cc2)c1 91656032 MBRJMMXBFPOVLA-UHFFFAOYSA-N 243.281 2.911 0 50 BFAA CC1(C)C[C@@H]1C(=O)Nc1nc2ccccc2[nH]1 152544312 AYJWTNJTPABAHY-MRVPVSSYSA-N 229.283 2.548 0 50 BFAA CNc1ccc(OCc2ccccc2)cc1N 169053286 KBBUDQOANFRAOF-UHFFFAOYSA-N 228.295 2.890 0 50 BFAA COC(=N)c1ncc(C(F)(F)F)cc1Cl 169803086 GCOJSNWVQMUVLS-UHFFFAOYSA-N 238.596 2.726 0 50 BFAA O=C(O)c1cc(Cl)cc2ncccc12 253532890 DXEWIFPLRWLABE-UHFFFAOYSA-N 207.616 2.586 0 50 BFAA C[C@@H]1CCN(C(=O)c2ccoc2)CC12CCC2 271361523 OSPMOKQWRNZERY-LLVKDONJSA-N 233.311 2.932 0 50 BFAA CCc1c(-c2cc(OC)cc(OC)c2)cnn1C 426490442 YIZCEBGYYHSKTO-UHFFFAOYSA-N 246.310 2.667 0 50 BFAA Cc1c(C(=O)N[C@@H](C)C2=CCCCC2)ccn1C 426521205 IXWVWTFFEYJACD-NSHDSACASA-N 246.354 2.952 0 50 BFAA CC[C@@H]1CCN(C2CSCCSC2)C1 584898723 JSJJYSBFRYQNTL-SNVBAGLBSA-N 231.430 2.567 0 50 BFAA CCOc1ccc(C2CCN(C)CC2)cc1 670421751 JYDHQJKFTSFFFX-UHFFFAOYSA-N 219.328 2.895 0 50 BFAA COc1nccnc1N[C@H](C)C1=CCCCC1 1529144078 HMSKIDFAZUMINO-SNVBAGLBSA-N 233.315 2.786 0 50 BFAA C=CC(=O)NC[C@@H]1CCC2(CCCCCC2)O1 1776007073 LJCFOUXXXVFAIM-LBPRGKRZSA-N 237.343 2.561 0 50 BFAA CCOc1ccc([C@H](C)NC(=O)C2CC2)cc1 1172739 OPOROGBIKSJXGE-JTQLQIEISA-N 233.311 2.673 0 50 BFAA O=C(O)[C@H](Nc1ccccc1)c1ccccc1 2038513 NFEVMRNCAGDLBK-CYBMUJFWSA-N 227.263 2.924 0 50 BFAA CCCOc1ccc(C=O)cc1OCC 2387675 ZOHLMEIZTKTCMI-UHFFFAOYSA-N 208.257 2.687 0 50 BFAA in-vitro Fc1ccc(SC2CCNCC2)cc1 2529122 OZONPSQNTUHWGJ-UHFFFAOYSA-N 211.305 2.670 0 50 BFAA in-vitro Cc1cc(F)ccc1C[C@H]1CCCNC1 2555479 OUTZXTYZSUFMEO-LLVKDONJSA-N 207.292 2.676 0 50 BFAA in-vitro O[C@H](CN1CCCC1)C12CC3CC(CC(C3)C1)C2 4257060 FLRBVQQTUVURMA-IBHBGHMQSA-N 249.398 2.660 0 50 BFAA CC(C)C[C@@H]1CC(=O)c2sc(N)nc2C1 5188679 GAUUPODYGAUQPH-ZETCQYMHSA-N 224.329 2.517 0 50 BFAA CNC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 12480053 JUFKSRDPLLSVQS-AMZBWDOQSA-N 221.344 2.729 0 50 BFAA COc1ccc2c(c1)CCC[C@H]2NC(=O)C(C)C 72442080 BEWCVWAZFVTUKD-CQSZACIVSA-N 247.338 2.845 0 50 BFAA CCCNc1cc(F)c(Br)cc1N 85105369 SQTCKJRXOBMJSZ-UHFFFAOYSA-N 247.111 2.992 0 50 BFAA Cc1ccc(-c2noc(C)c2C=O)cc1 136871119 UBNLELGNPNUQOG-UHFFFAOYSA-N 201.225 2.771 0 50 BFAA in-vitro CC1=CC[C@@H]2[C@H](O)[C@@H]3CC(C)=CC[C@@H]3[C@H](O)[C@@H]2C1 257358615 VJTLGAFBMXQRLJ-DERJNBNXSA-N 248.366 2.667 0 50 BFAA O=C(N[C@@H]1C=CCC1)c1ccc2ncsc2c1 1130681089 HGPWHEFEEIPQAI-SNVBAGLBSA-N 244.319 2.745 0 50 BFAA COc1ccc(-c2n[nH]c3ncccc23)cc1 1506400348 CXCRQMOLZBNJJK-UHFFFAOYSA-N 225.251 2.634 0 50 BFAA Oc1ncnc2sc(Cc3ccccc3)cc12 1772491083 AMKYLVMEADPURC-UHFFFAOYSA-N 242.303 2.988 0 50 BFAA COc1ccc(CCc2nc(C)ccc2O)cc1 178847 UYAJPYFQBAOQTC-UHFFFAOYSA-N 243.306 2.889 0 50 BFAA O=C(O)c1ccccc1NCc1ccccc1 329968 JGQKORRBYIBYOF-UHFFFAOYSA-N 227.263 2.997 0 50 BFAA in-vitro Cc1ccc(-c2csc(N)c2C(N)=O)cc1C 371695 KHKAAHCGWUFMLI-UHFFFAOYSA-N 246.335 2.713 0 50 BFAA CC[C@H](C)c1ccccc1NS(C)(=O)=O 383667 QGYZSPMMHZGTTM-VIFPVBQESA-N 227.329 2.572 0 50 BFAA CCN(CC)C(=O)COc1ccc(C)cc1C 444825 YQPHPWZYWGFZFS-UHFFFAOYSA-N 235.327 2.551 0 50 BFAA CC(=O)CC(=O)Nc1cccc2ccccc12 564148 LKVXQCKDIYHFGZ-UHFFFAOYSA-N 227.263 2.757 0 50 BFAA in-vitro CCOC(=O)c1c(C)[nH]c2ccc(F)c(F)c12 2512980 JWJWOIIIIAAFQN-UHFFFAOYSA-N 239.221 2.931 0 50 BFAA CN(C)C[C@H]1C[C@@H](C(C)(C)C)CCC1=O 4808557 GBQVZNKFIVRWDH-MNOVXSKESA-N 211.349 2.580 0 50 BFAA C[C@@]1(C(=O)Nc2ccncc2)CC1(Cl)Cl 11535861 LSKUAKBTZWKYBO-VIFPVBQESA-N 245.109 2.604 0 50 BFAA CC(=O)Nc1cccc(-c2ccc(F)cn2)c1 32529888 RAIPJQJTXFQTRJ-UHFFFAOYSA-N 230.242 2.846 0 50 BFAA O=C(CCC/C=C\CO)c1ccc(F)cc1 39119609 SUGFFCLJUOYUCM-RQOWECAXSA-N 222.259 2.727 0 50 BFAA Cc1ccc(OC[C@H](C)NC(=O)C(C)C)cc1 67086384 BMIRQWDSQNGKMY-LBPRGKRZSA-N 235.327 2.535 0 50 BFAA C=CC(=O)N[C@@H]1CCC[C@@H]2CCCC[C@@H]21 139635897 LKPFVVUIGDXNNU-SDDRHHMPSA-N 207.317 2.648 0 50 BFAA Cc1cccc(C(=O)c2cccc(F)c2)c1N 221355988 FUKMCWZOLOITOW-UHFFFAOYSA-N 229.254 2.947 0 50 BFAA O=C(O)CCN(Cc1ccccc1)CC1CCC1 238082276 CSHOKQJVSFANMX-UHFFFAOYSA-N 247.338 2.763 0 50 BFAA CC[C@@H](OC)C(=O)NC1(c2ccccc2C)CC1 648467917 RAWYBSVTHIDIQQ-CYBMUJFWSA-N 247.338 2.525 0 50 BFAA Cc1cc(CN(C)CCc2ccc(F)cc2)n[nH]1 1203076998 NICBCDFWBUDUOT-UHFFFAOYSA-N 247.317 2.532 0 50 BFAA C=CC(=O)N[C@@H]1CCc2cc(Cl)ccc21 1353214858 IILCJZNLDBMBGU-LLVKDONJSA-N 221.687 2.630 0 50 BFAA Fc1ccc2cc(-c3cnccn3)cnc2c1 1857737924 JPIVMQDIQRKNMB-UHFFFAOYSA-N 225.226 2.831 0 50 BFAA O=C(O)c1cccc(C(F)(F)F)c1F 56724 XVEAMDNSCPPPCP-UHFFFAOYSA-N 208.110 2.543 0 50 BFAA CC(C)(C)NC(=O)c1ccnc(C(C)(C)C)c1 347165 IWIVGGIPEUXHQL-UHFFFAOYSA-N 234.343 2.907 0 50 BFAA Cc1cccc(OCc2ccc(C(=O)O)o2)c1 2505976 ZFZFCZOUTNTHHU-UHFFFAOYSA-N 232.235 2.865 0 50 BFAA CCCCOC(=O)c1ccc(-n2ccnc2)cc1 3833030 QMVKQJKVSRTURI-UHFFFAOYSA-N 244.294 2.829 0 50 BFAA O=C(O)CCCc1ccc(Br)s1 4219066 FOXOELMEGCQMNO-UHFFFAOYSA-N 249.129 2.918 0 50 BFAA O=C(O)c1cccc(-c2nccs2)c1 4253950 BLFSSABBFANDKK-UHFFFAOYSA-N 205.238 2.508 0 50 BFAA in-vitro COC(=O)c1ccc(-c2ccc(OC)nc2)cc1 6715201 ARNMWLULAFBMND-UHFFFAOYSA-N 243.262 2.544 0 50 BFAA CCc1ccc(O[C@@H](C)c2nnc(N)s2)cc1 8338330 YNXINTUMCSZUOG-QMMMGPOBSA-N 249.339 2.823 0 50 BFAA Cc1nc(Cl)ccc1Br 8698224 DTFBHJWQTDQBEM-UHFFFAOYSA-N 206.470 2.806 0 50 BFAA in-vitro C[C@@H]1CN(C)Cc2cc(Cl)ccc2O1 12037695 QUDKNYKJECPHQF-MRVPVSSYSA-N 211.692 2.553 0 50 BFAA Nc1ccccc1/C=C1\C(=O)Nc2ccccc21 12420987 XVNZRLIIZWMRDT-XFXZXTDPSA-N 236.274 2.762 0 50 BFAA O=c1c2cccnc2sn1-c1ccc(F)cc1 13738523 QMCIVCACYJRAAY-UHFFFAOYSA-N 246.266 2.586 0 50 BFAA Cc1cc(NC(=O)c2ccc(C)s2)no1 13744256 RLFPBDNXBCBJBO-UHFFFAOYSA-N 222.269 2.605 0 50 BFAA O=C(Nc1ccc(Cl)cn1)C1CCCC1 13746848 HLIPMAFJOQDVFE-UHFFFAOYSA-N 224.691 2.864 0 50 BFAA C1CCC(OCCCN[C@H]2CCSC2)CC1 20191375 GGFZPPLUBXYDGD-LBPRGKRZSA-N 243.416 2.821 0 50 BFAA C[C@H]1CN(Cc2ccc(F)c(F)c2)C[C@H](C)O1 23114703 CVNSXCFVYUQSAW-UWVGGRQHSA-N 241.281 2.574 0 50 BFAA CCOC(=O)C(F)(F)c1ccc(F)c(F)c1 31829519 GUAAKHWBEHBVKT-UHFFFAOYSA-N 236.164 2.620 0 50 BFAA Nc1cc(OC(F)(F)F)ccc1Cl 34078970 BRHNMISYMABKDU-UHFFFAOYSA-N 211.570 2.821 0 50 BFAA in-vitro CC(C)(C)CC(C)(C)NC[C@@H]1CCCO1 44124471 JNLKMTJCLDYIKZ-NSHDSACASA-N 213.365 2.970 0 50 BFAA Clc1nc2c(Br)cccc2[nH]1 57348360 SFLGDRWZKXLGMH-UHFFFAOYSA-N 231.480 2.979 0 50 BFAA in-vitro C[C@@H](c1cccc(-c2ncc(F)cn2)c1)N(C)C 65382862 OLJNGLMGIXZOJN-JTQLQIEISA-N 245.301 2.905 0 50 BFAA Fc1ccc(NC[C@@H]2CC=CCC2)cn1 134537813 CUQRKAZNFUXPII-SNVBAGLBSA-N 206.264 2.989 0 50 BFAA CC(C)(C)OC(=O)c1ccc(C=O)c(F)c1 147538177 XGBUSIWKMBMZGV-UHFFFAOYSA-N 224.231 2.594 0 50 BFAA OCCCc1c(F)cccc1Br 168560353 IOSXRFXFNMJNDV-UHFFFAOYSA-N 233.080 2.513 0 50 BFAA Cc1nc(CO[C@@H]2CCCc3c[nH]nc32)oc1C 188930820 QEJZYKDKSMCAFC-LLVKDONJSA-N 247.298 2.609 0 50 BFAA Cc1cnccc1CN(C)C(=O)[C@H]1CC=CCC1 222787350 ACVDURQKXLFPME-ZDUSSCGKSA-N 244.338 2.705 0 50 BFAA Cc1ccc(SCCO)cc1Br 238472138 XPPLZCUCYVJFHR-UHFFFAOYSA-N 247.157 2.842 0 50 BFAA in-vitro CCc1cc(Oc2ccc3c[nH]nc3c2)ncn1 675112337 GQTJRQYAYAPHAL-UHFFFAOYSA-N 240.266 2.708 0 50 BFAA COc1c(Cl)ccc(Cl)c1C(=O)O 126322 IWEDIXLBFLAXBO-UHFFFAOYSA-N 221.039 2.700 0 50 BFAA biogenic,in-vitro CCOC(=O)c1c(-c2ccncc2)csc1N 442810 LKLAPQXKZAVVPT-UHFFFAOYSA-N 248.307 2.569 0 50 BFAA CCOc1cc(N(CC)CC)ccc1C=O 567160 XPSLOHMBERQXIX-UHFFFAOYSA-N 221.300 2.744 0 50 BFAA in-vitro O=C(O)c1cc(Cl)cc2cccnc12 5162166 GGHKFVNCVUIGRP-UHFFFAOYSA-N 207.616 2.586 0 50 BFAA in-vitro CC(C)[C@@H]1CC(=O)CCN1C(=O)OC(C)(C)C 16125321 GEHRUAIXGSWYPC-NSHDSACASA-N 241.331 2.611 0 50 BFAA COC(=O)c1cncc(-c2ccc(C)cc2)c1 16946697 FTAHAUDTXYMHDP-UHFFFAOYSA-N 227.263 2.844 0 50 BFAA Fc1ccc(CCNCc2cccnc2)cc1 19720867 GSKXNNTYCHZKLM-UHFFFAOYSA-N 230.286 2.553 0 50 BFAA O=C(O)C1[C@@H]2CC[C@@H]3[C@@H](CC[C@@H]12)C3(Cl)Cl 33687887 KTMXBVDXHDBMDV-WCTZXXKLSA-N 249.137 2.927 0 50 BFAA in-vitro O[C@@H](c1ccc(Br)cc1)C(F)F 34777527 MACLWDXHRYFAPX-ZETCQYMHSA-N 237.043 2.748 0 50 BFAA Brc1ccc(-c2ncc[nH]2)cc1 36377917 IRIGPPDONXVEHU-UHFFFAOYSA-N 223.073 2.839 0 50 BFAA in-vitro O=C(O)c1ccnc(-c2ccc(F)cc2)c1 41229476 HUPROSZAFNBWQU-UHFFFAOYSA-N 217.199 2.586 0 50 BFAA C=CCOC(=O)OC1=CC(=O)CCC[C@@H]1C 43198611 FJEAVKQWWXNSKM-VIFPVBQESA-N 224.256 2.599 0 50 BFAA Cc1cnc2[nH]cc(Br)c2c1 44712664 NXDMFWNWKLYMHM-UHFFFAOYSA-N 211.062 2.634 0 50 BFAA in-vitro O=C1OCCC23CC=CCC12CC=CC3 45028072 OLQDPLUAKGJYGN-UHFFFAOYSA-N 204.269 2.606 0 50 BFAA N[C@H](Cc1ccc(Cl)cc1)C(F)(F)F 67794484 OBMZKLDWSOWUMC-MRVPVSSYSA-N 223.625 2.772 0 50 BFAA CC(C)NC(=O)Cc1ccc(Cl)cc1F 72436975 PDZPHJXMBMYRQV-UHFFFAOYSA-N 229.682 2.546 0 50 BFAA CCOc1ccc(C(=O)NC2CC2)cc1Cl 72441690 RBYUITVTOSLJCN-UHFFFAOYSA-N 239.702 2.631 0 50 BFAA Cc1ccc(NC(=O)NCC(F)F)c(F)c1 72499700 HSTZZVNRPXEIJR-UHFFFAOYSA-N 232.205 2.521 0 50 BFAA C=CC(=O)Nc1ccc(F)c(Br)c1 159784511 VQLWZSGYXVKVFL-UHFFFAOYSA-N 244.063 2.713 0 50 BFAA Cc1nc([C@@H]2CCCN2c2cnccn2)cs1 275066578 XXGBWEHSRWVVGS-NSHDSACASA-N 246.339 2.583 0 50 BFAA Fc1cccc2c(N3CCCC3)ccnc12 302699604 UNSJAZCXVOLOLC-UHFFFAOYSA-N 216.259 2.974 0 50 BFAA CCn1ncc(CN(C)C[C@H]2CC=CCC2)c1C 426527919 OJCULMOTMQYOTK-AWEZNQCLSA-N 247.386 3.000 0 50 BFAA CC1(Cn2ccnc2-c2ccccc2)COC1 1875247443 MAORQZLQPUKZDM-UHFFFAOYSA-N 228.295 2.587 0 50 BFAA Cc1cc(F)ccc1-c1cnc2ncccn12 1875321854 YJTRRLHRGQWZNP-UHFFFAOYSA-N 227.242 2.844 0 50 BFAA Cc1ccc(-c2ccc(C(=O)O)[nH]2)cc1 135487 GUGAOFSHCGOMMW-UHFFFAOYSA-N 201.225 2.688 0 50 BFAA in-vitro O=C(CCc1ccccc1)Nc1cccc(O)c1 363549 QJEWKVODMGPCBV-UHFFFAOYSA-N 241.290 2.964 0 50 BFAA Cc1ccc(NC(=O)c2ccoc2C)nc1 460582 DSGPXBWWMTXVDL-UHFFFAOYSA-N 216.240 2.544 0 50 BFAA Cc1nc(Cc2nc(O)cs2)sc1C 1395305 WPWBPTRHRAZEBZ-UHFFFAOYSA-N 226.326 2.513 0 50 BFAA O=C(O)/C=C/c1ccc(Br)s1 2504881 UNAWXLDSXIIUFC-DUXPYHPUSA-N 233.086 2.608 0 50 BFAA COc1ccc(-c2ccc(C=O)o2)cc1 2510908 JPCUGGGXLKGQEP-UHFFFAOYSA-N 202.209 2.768 0 50 BFAA CN(Cc1ccccc1)c1ncc(C=O)s1 6145096 CUEILTBYBXMGNC-UHFFFAOYSA-N 232.308 2.592 0 50 BFAA c1ccc(CN2CCC[C@@]3(CCCNC3)C2)cc1 6223104 VOWXMZNSTISHLF-MRXNPFEDSA-N 244.382 2.652 0 50 BFAA Cc1ccc(C(=O)N[C@H](C)[C@H]2CCCO2)cc1C 6730590 PHPBKIILYPSVTQ-TZMCWYRMSA-N 247.338 2.601 0 50 BFAA CCCCc1nc2ccccc2n1COC 13221403 QCKBBUKUXFOPAU-UHFFFAOYSA-N 218.300 2.983 0 50 BFAA O=C(Nc1ccon1)C12CC3CC(CC(C3)C1)C2 13746923 QIIZELKUBFEDHW-UHFFFAOYSA-N 246.310 2.830 0 50 BFAA O=C(O)CCc1csc(-c2ccccc2)n1 17192244 ZBBKKEJUCZUZSN-UHFFFAOYSA-N 233.292 2.827 0 50 BFAA CCc1ccccc1O[C@@H](C)C(=O)NC(C)C 19931414 NZGZRLCEZPFVLY-NSHDSACASA-N 235.327 2.541 0 50 BFAA NC[C@H]1C[C@@H]1c1ccc(Br)cc1 34893372 JDPOCUFHXPTLJW-PSASIEDQSA-N 226.117 2.511 0 50 BFAA N[C@H](CCc1ccccc1)C(F)(F)F 74208650 CJIJQPOXSZBIGD-SECBINFHSA-N 203.207 2.509 0 50 BFAA in-vitro O=C(O)c1nccc2cc(Cl)ccc12 82377504 CHJRVNVGFZPCJH-UHFFFAOYSA-N 207.616 2.586 0 50 BFAA in-vitro Cc1nc(N(C)C2CCCCC2)ncc1[C@H](C)N 91847816 LVHGFDCCRRBAGI-JTQLQIEISA-N 248.374 2.574 0 50 BFAA COCCSCc1nc2ccccc2nc1C 192678931 LDSHNKUIIBYFGT-UHFFFAOYSA-N 248.351 2.818 0 50 BFAA Cc1ccc([C@@H](C)CCN(C)Cc2ccn[nH]2)o1 215567528 POYKUJQUEOEDFE-NSHDSACASA-N 247.342 2.937 0 50 BFAA O=C([C@@H]1C[C@H]1C1CC1)N1CC2(CCCCC2)C1 336387526 KVJXCMCRYJPCCR-QWHCGFSZSA-N 233.355 2.825 0 50 BFAA C=CC(=O)N[C@H](c1ccccc1)C1CCC1 791350816 BNJDBQAGXSTKOH-CQSZACIVSA-N 215.296 2.830 0 50 BFAA Cc1ccc(C(=O)Nc2nccnc2C2CC2)o1 906410970 NBHCALUNBNBUKD-UHFFFAOYSA-N 243.266 2.508 0 50 BFAA c1cn(C[C@H]2CCCOC2)c(C2CCCC2)n1 1875248927 YKAIXHOYNNIXQG-GFCCVEGCSA-N 234.343 2.967 0 50 BFAA c1cc(CNC[C@@H]2C[C@@H]3CC[C@H]32)c2cc[nH]c2n1 2325807350 SXSZEGVFHGTXBC-WCFLWFBJSA-N 241.338 2.699 0 50 BFAA CC(C)c1ccc(-c2ccc(CCN)cc2)nn1 2356163617 KVWFPQDFNLCUAA-UHFFFAOYSA-N 241.338 2.768 0 50 BFAA CNC(=O)Oc1ccc(Cl)c(Cl)c1 398403 LOSYNXWKIXVLSZ-UHFFFAOYSA-N 220.055 2.712 0 50 BFAA Cc1ccccc1C(=O)Nc1ccccc1O 406252 OUNOQMJWSHAQOF-UHFFFAOYSA-N 227.263 2.953 0 50 BFAA NC(=O)NC1c2ccccc2Oc2ccccc21 406588 WEDNBKOVRBVKBV-UHFFFAOYSA-N 240.262 2.550 0 50 BFAA CSc1nc2cc(F)c(F)cc2n1C 613078 UJPTZWZMWVZGKP-UHFFFAOYSA-N 214.240 2.573 0 50 BFAA Clc1ccccc1C[C@H]1CCCNC1 2529117 IUBGLJZJXSXGHK-SNVBAGLBSA-N 209.720 2.882 0 50 BFAA in-vitro CCN(CC)c1ccc2cc(C(=O)O)[nH]c2c1 3888938 ONUSUWYCWYPYJG-UHFFFAOYSA-N 232.283 2.712 0 50 BFAA in-vitro CCCCNC(=O)COc1ccc(C)cc1C 10471936 HBTQAULIMJUEHS-UHFFFAOYSA-N 235.327 2.599 0 50 BFAA FC(F)(F)Oc1ccc(-c2cc[nH]n2)cc1 14808108 FBNMLMRUGSDQJL-UHFFFAOYSA-N 228.173 2.975 0 50 BFAA in-vitro Cc1ccc(-n2ncc3c2CCC[C@H]3N)cc1C 47218875 XGTYWTRYVPDMEJ-CQSZACIVSA-N 241.338 2.825 0 50 BFAA COc1c(F)cc(-c2ncc[nH]2)cc1Cl 67691915 MFIFESWYYAVLAV-UHFFFAOYSA-N 226.638 2.878 0 50 BFAA COC(=O)c1ccc(Cl)cc1OCC1CC1 177940599 LUGPMASAINYCMY-UHFFFAOYSA-N 240.686 2.915 0 50 BFAA CCc1cc(O)ccc1NC(=O)c1ccncc1 191072563 TXHQTKHSOXBKNF-UHFFFAOYSA-N 242.278 2.602 0 50 BFAA Cc1ccccc1[C@H]1C[C@H](C)N(CCC(=O)O)C1 237577239 PPCNVSVVZCRYBX-STQMWFEESA-N 247.338 2.648 0 50 BFAA Cc1cc(SCCO)ccc1Br 255189626 RDVWEANZXZGMQV-UHFFFAOYSA-N 247.157 2.842 0 50 BFAA Fc1ncccc1-c1noc(C2CCC2)n1 725273558 KWSDQVLQYHBXTO-UHFFFAOYSA-N 219.219 2.538 0 50 BFAA C[C@@H]1CCC(=O)C[C@@H]1N1CCCCCC1 725363113 XYTMNSGSLKSQCC-YPMHNXCESA-N 209.333 2.620 0 50 BFAA C=CC(=O)N[C@H](c1ccc(F)c(C)c1)C1CC1 1335324445 PQJYBASGTIOGCA-AWEZNQCLSA-N 233.286 2.887 0 50 BFAA Cc1nc(N[C@@H]2C=CCC2)nc(C)c1C 2356170168 YHPGFKWEZWZYKZ-LLVKDONJSA-N 203.289 2.532 0 50 BFAA Oc1ccc(CN2CCc3ccccc3C2)cc1 238864 INQGOEXXFRCTEG-UHFFFAOYSA-N 239.318 2.951 0 50 BFAA CC1=CC(=O)O[C@H]1Cc1ccc2ccccc2n1 262731 TUHWOPISQPWMOH-AWEZNQCLSA-N 239.274 2.649 0 50 BFAA biogenic C/C=C/C(=O)Nc1ccc(OCC)cc1 294017 DVUAQAXXJAYRFY-HWKANZROSA-N 205.257 2.600 0 50 BFAA CCNC(=S)Nc1ccc(Cl)cc1C 618785 FNPGMOWOCPDWMB-UHFFFAOYSA-N 228.748 2.955 0 50 BFAA CCC[C@@H](O)c1ccc(OC)c(OC)c1 1716029 CKASWWHFEGBUKB-SNVBAGLBSA-N 210.273 2.537 0 50 BFAA in-vitro CSc1ncc(C=O)c(Nc2ccccc2)n1 2527303 DSFJGNWTXFPBDB-UHFFFAOYSA-N 245.307 2.755 0 50 BFAA CCOC(=O)c1[nH]c2ccc(CC)cc2c1C=O 2534048 VXOWLKHZDGJRAQ-UHFFFAOYSA-N 245.278 2.720 0 50 BFAA O=C(O)[C@@H](C[C@@H]1CCCS1)C(F)(F)F 2585387 WZMDICHYPNRSDP-NTSWFWBYSA-N 228.235 2.535 0 50 BFAA CCN(CC)[C@H](C)C(=O)c1ccccc1 2847375 XXEPPPIWZFICOJ-LLVKDONJSA-N 205.301 2.600 0 50 BFAA fda CCCCNC(=S)Nc1ccccc1OC 2892016 CNOWDPKOJKPAEC-UHFFFAOYSA-N 238.356 2.782 0 50 BFAA Oc1ccccc1OCc1nc2ccccc2[nH]1 3122975 NLWXPSUAGPROBJ-UHFFFAOYSA-N 240.262 2.848 0 50 BFAA COCCCNC(=O)c1oc2ccccc2c1C 4171497 ZBLKDNFAAVNNGU-UHFFFAOYSA-N 247.294 2.508 0 50 BFAA CCN(CC)C(=O)N(CC)Cc1ccccc1 4858166 ICZCGQYOKCNCAN-UHFFFAOYSA-N 234.343 2.970 0 50 BFAA Cc1ccc(CN2CCCC[C@H]2CO)c(C)c1 4948863 LPDHXJLJZRIPCY-HNNXBMFYSA-N 233.355 2.650 0 50 BFAA COC(=O)N[C@H](C)c1ccc(C)cc1C 6699206 ICOKXSITCOTQLM-SNVBAGLBSA-N 207.273 2.720 0 50 BFAA COC(=O)c1ccc(N)cc1-c1ccccc1 34550864 RCQJWALJLIKPAA-UHFFFAOYSA-N 227.263 2.722 0 50 BFAA in-vitro O=C(CC(=O)C(F)(F)F)c1cccc(F)c1 100349736 JRVIDAUJLHWEED-UHFFFAOYSA-N 234.148 2.530 0 50 BFAA CN(C)c1cc(F)cc(Br)c1 142343931 DQQIIUYYHRXJIJ-UHFFFAOYSA-N 218.069 2.654 0 50 BFAA in-vitro CCN(Cc1csnn1)c1ccccc1 191458938 JTNKCLZTELHKQV-UHFFFAOYSA-N 219.313 2.565 0 50 BFAA C[C@H](NC(=O)c1cccnc1)[C@H]1C[C@H]2CC[C@H]1C2 243497484 NTMANIMIVFSVIN-ZJQBRPOHSA-N 244.338 2.636 0 50 BFAA CCOc1cc(O)c(F)c(C(F)(F)F)c1 261493648 GNJFLBDVCCPYNW-UHFFFAOYSA-N 224.153 2.949 0 50 BFAA CCc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1O 291490365 SPEASOITNQKICP-LLVKDONJSA-N 247.338 2.827 0 50 BFAA CCc1nc(-c2ccc([C@H](C)OC)cc2)n(C)n1 426393057 QAVDTPRCDAZSEH-JTQLQIEISA-N 245.326 2.752 0 50 BFAA CCc1nc(-c2ccc([C@H](C)OC)cc2)nn1C 426429072 ZHMSCOPWPBGXGH-JTQLQIEISA-N 245.326 2.752 0 50 BFAA CCO[C@@H](C)c1ccc(-c2n[nH]c(OC)n2)cc1 426470860 OIFPKFQCNOTDRJ-VIFPVBQESA-N 247.298 2.578 0 50 BFAA C=CC(=O)N1CCC[C@@H]1c1ccc(CC)o1 952887800 AHZKKVUPUTUJIX-LLVKDONJSA-N 219.284 2.692 0 50 BFAA c1ccc(Cc2ncoc2-c2ncc[nH]2)cc1 2356163058 VNGKQIROTSQZTR-UHFFFAOYSA-N 225.251 2.656 0 50 BFAA O=Cc1coc2c(Cl)cc(Cl)cc2c1=O 57739 IHCCHRKNCOFDAJ-UHFFFAOYSA-N 243.045 2.912 0 50 BFAA biogenic,in-vitro CCN(CC)Cc1cc(C(C)=O)ccc1OC 289744 HWQXADPWWSVKPV-UHFFFAOYSA-N 235.327 2.740 0 50 BFAA C[C@H]1CCCN(C(=O)NC2CCCCC2)C1 473885 PLTSENDLOHFIRG-NSHDSACASA-N 224.348 2.761 0 50 BFAA OC[C@H](F)Sc1nc2ccccc2s1 1383756 MWRUARLTYWJLAR-MRVPVSSYSA-N 229.301 2.676 0 50 BFAA CCOC(=O)CC(C(F)(F)F)C(F)(F)F 2560298 YFOXNPBIIPXUCG-UHFFFAOYSA-N 238.127 2.680 0 50 BFAA in-vitro CN1C(=O)O[C@]2(C)CCc3ccccc3[C@@]12C 3958388 CTDWXPWFRVKRSF-ZIAGYGMSSA-N 231.295 2.689 0 50 BFAA Cc1ccc(C)c([C@@H](C)NC(=O)[C@H]2CCCO2)c1 6731446 JPYRABQDGGGWPQ-TZMCWYRMSA-N 247.338 2.660 0 50 BFAA Cc1cc(C)c2c(n1)sc1c(O)cc(O)nc12 8586250 XAGRKPWOKCOLSZ-UHFFFAOYSA-N 246.291 2.873 0 50 BFAA Cc1ccsc1CN1C[C@H](C)O[C@H](C)C1 23115290 MYQBJXAVESBUQC-PHIMTYICSA-N 225.357 2.666 0 50 BFAA CC(C)(C)OC(=O)Nc1cscc1C(=O)O 34458333 XYOGFDWFZFHNTL-UHFFFAOYSA-N 243.284 2.793 0 50 BFAA in-vitro COc1ccccc1Oc1ccncc1 34760348 MDSGMVBCWGLRHA-UHFFFAOYSA-N 201.225 2.883 0 50 BFAA Cc1ccc(C)c(CC(=O)NC(C)(C)C)c1 44901093 RMNNEPSUXVVTQZ-UHFFFAOYSA-N 219.328 2.761 0 50 BFAA c1ccc(CNCc2nc3ccccc3[nH]2)cc1 52580733 ONORTXLCXHMVAD-UHFFFAOYSA-N 237.306 2.853 0 50 BFAA COc1ccc([C@@H](C)N(C)Cc2ncc[nH]2)cc1 109828327 XQKHQVQWCCOFLQ-LLVKDONJSA-N 245.326 2.611 0 50 BFAA CC(=O)N1CCC[C@](C)(c2ccccc2)C1 113215093 QEXPPLQKXWJTJR-AWEZNQCLSA-N 217.312 2.587 0 50 BFAA C[C@@H]1CCCN(C(=O)CC[C@H]2CCCO2)CC1 130445932 AATZITGSAXRFEE-CHWSQXEVSA-N 239.359 2.594 0 50 BFAA CC[C@@H](N[C@@H](C)CO)c1cccc(Cl)c1F 135042708 OSFACSNLGUTYCU-GZMMTYOYSA-N 245.725 2.901 0 50 BFAA O=C1Cc2c(cccc2OCc2ccccc2)N1 145961860 KMXQQIBTRJERJG-UHFFFAOYSA-N 239.274 2.760 0 50 BFAA COc1cncc(-c2ccc(OC)c(C=O)c2)c1 212589179 PKDOPGOBZOESST-UHFFFAOYSA-N 243.262 2.578 0 50 BFAA CCCc1ccc(CN(C)Cc2cnccn2)o1 215561012 SCHJYGMLMIVNDU-UHFFFAOYSA-N 245.326 2.654 0 50 BFAA O=Cc1cccc(F)c1OC(F)(F)F 306787994 RHVHGEJBGAXBKL-UHFFFAOYSA-N 208.110 2.537 0 50 BFAA in-vitro CC(C)Cc1ncc(NC(=O)[C@H]2CC2(C)C)cn1 349044060 BCTKIAMNRMNQIA-LLVKDONJSA-N 247.342 2.660 0 50 BFAA Clc1ccc(-c2cnn3c2OCCC3)cc1 630485830 BFTWDYNLTPJOKY-UHFFFAOYSA-N 234.686 2.986 0 50 BFAA C[C@H](CC1CCCCC1)NC[C@H](O)C1CC1 689831130 BNSVCJBBSDUQEU-RISCZKNCSA-N 225.376 2.706 0 50 BFAA C=CC(=O)NCC1(c2cccs2)CCCC1 888102368 QOCCUTRDQPZYDT-UHFFFAOYSA-N 235.352 2.862 0 50 BFAA CCn1nccc1-c1cccc(CO)c1Cl 904754943 YWKNFCGGKPDHOD-UHFFFAOYSA-N 236.702 2.716 0 50 BFAA O=C(O)CCN[C@H]1CCCC2(CCCC2)C1 1776006231 PPBDSSDYYXFARW-NSHDSACASA-N 225.332 2.554 0 50 BFAA C=CC(=O)N[C@@H]1CC[C@@H](C)c2ccccc2C1 1875368155 UUQPWOSTPALJNP-DGCLKSJQSA-N 229.323 2.797 0 50 BFAA C[C@@H]1Cn2c(nnc2-c2cccs2)S1 105859 RTOPSXMJURBQPL-ZCFIWIBFSA-N 223.326 2.501 0 50 BFAA CCOC(=O)c1c(N)sc2c1[C@H](C)CCC2 149862 HRPRBNMOLCLEDL-SSDOTTSWSA-N 239.340 2.947 0 50 BFAA CSC(=S=O)c1cccc2ccccc12 330098 GJLUUUKLQMUNNT-UHFFFAOYSA-N 234.345 2.894 0 50 BFAA CCn1c(SC(C)C)nc2ccccc2c1=O 533118 MWMXSDCZEVYIJF-UHFFFAOYSA-N 248.351 2.917 0 50 BFAA CCC(C)(C)c1ccc(OCCO)cc1 1600251 BXXDXUTVAFRBKC-UHFFFAOYSA-N 208.301 2.745 0 50 BFAA Cc1ccc(NC(=O)C(F)(F)F)cc1F 1751400 GQXUEAJERWZEJR-UHFFFAOYSA-N 221.153 2.635 0 50 BFAA C[C@H](Sc1ccc(Cl)cc1)C(=O)O 3886817 NKBXBKKXOZFZPI-LURJTMIESA-N 216.689 2.905 0 50 BFAA in-vitro C[C@H]1CC(=O)[C@H](C)CN1C1CCCCC1 3997103 ZBMNTDYSMDSDGV-MNOVXSKESA-N 209.333 2.619 0 50 BFAA O=C1C=C(NCc2ccco2)C2(CCCCC2)O1 12374912 UAPRLALETZHNAT-UHFFFAOYSA-N 247.294 2.513 0 50 BFAA O=C(O)C(F)(F)c1ccc(Cl)cc1 20213082 DZXMMDCITYLSRC-UHFFFAOYSA-N 206.575 2.516 0 50 BFAA in-vitro Cc1nc(C(=O)Nc2ccccc2C)co1 22606320 XGLFWMVIGIUTBY-UHFFFAOYSA-N 216.240 2.544 0 50 BFAA COC(=O)c1cnoc1-c1cccc(Cl)c1 38537179 IQMQZQIJFOAHQN-UHFFFAOYSA-N 237.642 2.782 0 50 BFAA in-vitro CCOC(=O)Cc1cccc(Br)c1 40448587 CAERSDJFKGMKLY-UHFFFAOYSA-N 243.100 2.555 0 50 BFAA in-vitro Cc1cccc(O[C@H](C)C(=O)NCC(C)C)c1 48090014 AIJXDTNSJMOWRC-GFCCVEGCSA-N 235.327 2.535 0 50 BFAA CCCCNc1cc(C(F)(F)F)n[nH]1 79387556 YCYBNZXBYSOJRK-UHFFFAOYSA-N 207.199 2.641 0 50 BFAA c1cc(-c2ccc(Cn3ccnc3)cc2)ccn1 96130958 HQIKKOOZOQBJGD-UHFFFAOYSA-N 235.290 2.993 0 50 BFAA Cc1cc(F)ccc1CNc1cnccn1 225569056 GOCJJGGPRZRGGH-UHFFFAOYSA-N 217.247 2.536 0 50 BFAA Fc1nc(OCC2CC2)ccc1Br 261493991 NJVZHVHKUAEMIS-UHFFFAOYSA-N 246.079 2.772 0 50 BFAA CCCc1cccc(CN2CCC[C@@H]2C(=O)O)c1 263442862 XAXMHEODDFCREF-CQSZACIVSA-N 247.338 2.688 0 50 BFAA CCc1cccnc1NC(=O)C[C@H]1CCCCO1 269932112 UMPGQYMUNFOEMT-GFCCVEGCSA-N 248.326 2.542 0 50 BFAA O=C(O)c1cccc2cncc(Cl)c12 498047861 WLKVSRPUHQMAGH-UHFFFAOYSA-N 207.616 2.586 0 50 BFAA COCc1nc(-c2csc3c2CCCC3)n[nH]1 670445992 BSGDEOYRJMPAIB-UHFFFAOYSA-N 249.339 2.558 0 50 BFAA Cc1nc(-c2ccn(C(C)C)n2)n(C(C)(C)C)n1 670472251 KYQZQSLXBGTSIU-UHFFFAOYSA-N 247.346 2.786 0 50 BFAA Cc1cc(Cl)cc2c1OC[C@@H]([C@@H](C)N)C2 675063741 NCOWYIMTFGWVDD-SCZZXKLOSA-N 225.719 2.547 0 50 BFAA Cc1cc2c[nH]nc2cc1[C@H]1CNCC[C@H]1C 757214551 UAAUECORJHRENF-RNCFNFMXSA-N 229.327 2.584 0 50 BFAA C[C@@H](NCc1ccc2nsnc2c1)C1CCC1 820732711 ODCGKRPDDTXGPN-SECBINFHSA-N 247.367 2.970 0 50 BFAA N[C@H]1CC[C@@H](c2nc3ccccc3[nH]2)CC1 950756024 ASNVOUGGOKEIKD-AOOOYVTPSA-N 215.300 2.548 0 50 BFAA Cc1ccc2nc(Cl)c(CO)cc2c1 421635 JYQVWLZEYAYKHI-UHFFFAOYSA-N 207.660 2.689 0 50 BFAA in-vitro COc1ccc(Cl)cc1[C@H]1CCCN1 3732275 ICPVCIRAZRJSSN-SNVBAGLBSA-N 211.692 2.773 0 50 BFAA in-vitro CCCCc1ccc(-n2cnnc2S)cc1 5946379 OZLUGROCSLOCIG-UHFFFAOYSA-N 233.340 2.899 0 50 BFAA O=c1cc(O)nc(-c2ccc(Cl)cc2)s1 13555619 XVGBBRBZACTKJH-UHFFFAOYSA-N 239.683 2.529 0 50 BFAA Nc1cc(NC(=O)C2CCCCC2)ccc1F 20157441 SPYVYJOGTYTAMJ-UHFFFAOYSA-N 236.290 2.927 0 50 BFAA CC(C)n1c(CO)nc2ccc(Cl)cc21 40417348 VTKYRUGOJHIQJS-UHFFFAOYSA-N 224.691 2.763 0 50 BFAA CC(C)Oc1cccc(C(F)(F)F)n1 65337534 HOZWPCFCUHYPBH-UHFFFAOYSA-N 205.179 2.888 0 50 BFAA in-vitro CC[C@@H](C)C(=O)Nc1ccc(C)c(C(=O)O)c1 110987143 NYFYOOOKKABFPN-MRVPVSSYSA-N 235.283 2.678 0 50 BFAA Sc1ccccc1I 112996412 QZOCQWGVJOPBDK-UHFFFAOYSA-N 236.077 2.580 0 50 BFAA COC(=O)c1ccc(-c2n[nH]c3ccccc23)o1 117473900 ODLWPUWHAWRXET-UHFFFAOYSA-N 242.234 2.610 0 50 BFAA O=C(O)C1(Oc2cccc(Cl)c2)CCC1 143580304 YLXUISZQGPQSAD-UHFFFAOYSA-N 226.659 2.726 0 50 BFAA CCOc1cccc(F)c1Br 167026509 LIZMPQKWCJCBIM-UHFFFAOYSA-N 219.053 2.987 0 50 BFAA O[N+]1=N[C@H]2CCCC[C@@H]2N1OCc1ccccc1 225434962 MZCLJZKRZNXEFJ-STQMWFEESA-N 248.306 2.514 0 50 BFAA C[C@@H]1CCC[C@@H](C)N1C(=O)[C@H]1CCCS1 245316838 KUICHCGNVMQXBC-GMTAPVOTSA-N 227.373 2.672 0 50 BFAA COc1ccc2c(c1)[C@@H]1C[C@@]3(C(C)(C)O)[C@@H]1[C@H]23 257358539 VBECXUHMOPAFQE-ABHRYQDASA-N 230.307 2.667 0 50 BFAA COCC1(O)c2ccccc2-c2ccccc21 261507793 MJQFWBUCFFWTOP-UHFFFAOYSA-N 226.275 2.549 0 50 BFAA C[C@H]1CC[C@@H](C)CN1c1ncnc2[nH]ccc12 266426285 BUKPPXDFLRKBLN-ZJUUUORDSA-N 230.315 2.583 0 50 BFAA FC(F)C1CCN(c2ccccn2)CC1 336083188 ZYDCJWKPBVTKNV-UHFFFAOYSA-N 212.243 2.563 0 50 BFAA CN(CC1CCCC1)c1ncnc2[nH]ccc12 339137909 WXVOTAIEMXPNMD-UHFFFAOYSA-N 230.315 2.584 0 50 BFAA CC[C@H]1CCCN(c2ncnc(C)c2OC)CC1 656127064 LKCZWVACQCODAX-LBPRGKRZSA-N 249.358 2.810 0 50 BFAA C=CC(=O)Nc1ccc(O[C@H]2CC2(F)F)cc1 1336680807 FWGSIGYRPDUECP-JTQLQIEISA-N 239.221 2.598 0 50 BFAA O=C1NCc2ccccc2-c2ccccc21 248243 HBJCSIUTZKXSKB-UHFFFAOYSA-N 209.248 2.597 0 50 BFAA C[C@@H]1C[C@@H]1C(=O)Nc1cc(F)ccc1F 372138 FQBRESKKJAUMQD-SVRRBLITSA-N 211.211 2.559 0 50 BFAA COc1ccc(C)cc1NC(=O)NC(C)C 397980 MNEUBMOOEJLKII-UHFFFAOYSA-N 222.288 2.534 0 50 BFAA COc1cc(C)ccc1I 1606227 LVDHTYMXUHPTOP-UHFFFAOYSA-N 248.063 2.608 0 50 BFAA O=P(O)(O)Cc1cccc2ccccc12 1719111 LYGCMUNBGIOQAB-UHFFFAOYSA-N 222.180 2.518 0 50 BFAA O=Cc1ccc(-c2cccc(CC(=O)O)c2)cc1 2581023 KVOMMPWVNQAQTK-UHFFFAOYSA-N 240.258 2.793 0 50 BFAA Cc1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1 16930420 KTJROJRNPOWDGG-UHFFFAOYSA-N 227.185 2.855 0 50 BFAA C[C@H](CCc1ccccc1)N1CCCN(C)CC1 22456072 ONUJJXIXYFIVEP-OAHLLOKOSA-N 246.398 2.645 0 50 BFAA Oc1cc2c(cc1Br)CCC2 34616592 WXNQTFRWOCSCPY-UHFFFAOYSA-N 213.074 2.643 0 50 BFAA COC(=O)CCCC(=O)c1ccc(C)cc1 38252337 ZDNCBAZITMJOTD-UHFFFAOYSA-N 220.268 2.521 0 50 BFAA CC(=O)Nc1ccc(F)cc1C(F)(F)F 39019373 CHHVIZQASRTMGS-UHFFFAOYSA-N 221.153 2.803 0 50 BFAA OCC/C=C/CCCCO[C@H]1CCCCO1 43761500 BSDWMRHTDLMCNJ-KNVIWWDSSA-N 228.332 2.639 0 50 BFAA COC(=O)c1cc2cc(OC)ccc2s1 62709773 NYPCNZRDJYLVLF-UHFFFAOYSA-N 222.265 2.697 0 50 BFAA in-vitro Fc1cc2nsnc2cc1Br 65337090 ASAVGHCROROMLC-UHFFFAOYSA-N 233.065 2.593 0 50 BFAA in-vitro O=C(O)Cc1nc2c(Cl)cccc2s1 83069245 CTTBVJTVGYNSIB-UHFFFAOYSA-N 227.672 2.577 0 50 BFAA in-vitro CSc1cccc(CN(C)c2ccncn2)c1 91894803 ODCPHSANXWBLEZ-UHFFFAOYSA-N 245.351 2.835 0 50 BFAA NN[C@H](c1ccccc1)c1ccc(Cl)cc1 97482392 NVVUVPMLOWJDPV-CYBMUJFWSA-N 232.714 2.893 0 50 BFAA O=CNc1ccc(OCc2ccccc2)cc1 102351157 SLEFQQUQJDZLBK-UHFFFAOYSA-N 227.263 2.834 0 50 BFAA Cc1ccc(NC(=O)C2[C@H]3CCC[C@H]23)cc1O 128195143 GEOGVAODMLRGLK-QWRGUYRKSA-N 231.295 2.685 0 50 BFAA CO[C@H]1C[C@@H](c2ccccc2)CCC1=O 146769242 BDWYLSNDWRACPH-AAEUAGOBSA-N 204.269 2.538 0 50 BFAA in-vitro FC(F)(F)c1ncccc1N1CCSC1 169725738 HGYYHXSFKKNHJT-UHFFFAOYSA-N 234.246 2.611 0 50 BFAA COc1ccc(COCCSC)cc1 200176365 RLFKJWXCASLOIR-UHFFFAOYSA-N 212.314 2.575 0 50 BFAA Cc1c(Br)ccc(F)c1C(=O)O 216865270 DHAJISDATRWQGB-UHFFFAOYSA-N 233.036 2.595 0 50 BFAA in-vitro C[C@@H]1[C@@]23CC=CC[C@@]2(CCCC3)CS1(=O)=O 230110750 ZTXAGCGGJCSEOI-UPJWGTAASA-N 240.368 2.700 0 50 BFAA Fc1cccc([C@@H]2CCCN2c2cnccn2)c1 298698056 DSUHASCMBKOGNE-ZDUSSCGKSA-N 243.285 2.957 0 50 BFAA CCn1nc(-c2cc(C)ccc2C)nc1N(C)C 426473356 CUJKOARIYNRICI-UHFFFAOYSA-N 244.342 2.648 0 50 BFAA C=CC(=O)N[C@H](CC(F)(F)F)C(C)(C)C 585122696 HALDBOXAXAWBSO-SSDOTTSWSA-N 223.238 2.656 0 50 BFAA C[C@H]1CCC(=O)C[C@@H]1OCC1CCCC1 725363095 XXIPUXAQWDOMNZ-GWCFXTLKSA-N 210.317 2.951 0 50 BFAA Cc1ccc2n[nH]cc2c1[C@@H]1NCCC[C@@H]1C 757213672 QNPNOCSIKUITDQ-IINYFYTJSA-N 229.327 2.932 0 50 BFAA CC[C@H](C(=O)NC1(CC)CCCC1)N(C)CC 952866816 FCTSAXBEUXZIPC-GFCCVEGCSA-N 240.391 2.556 0 50 BFAA CC(C)(C)OC(=O)NCc1ccsc1C=O 958750592 JLAUULPUTHVZFZ-UHFFFAOYSA-N 241.312 2.585 0 50 BFAA COCc1nc(CSc2ccc(C)cc2)n[nH]1 1776006903 ZGZZSDAJAHSIFQ-UHFFFAOYSA-N 249.339 2.552 0 50 BFAA C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2F)C1 29730 ISFAADVEKICCHK-GHMZBOCLSA-N 235.302 2.944 0 50 BFAA Cc1cc(C)c2c(=O)cc(C(F)(F)F)oc2n1 1123028 KDJHPFVIODTZQU-UHFFFAOYSA-N 243.184 2.824 0 50 BFAA Cc1cc(F)ccc1I 2579150 VWBMDRDQJLUMMS-UHFFFAOYSA-N 236.027 2.739 0 50 BFAA in-vitro O=C(Cc1cccs1)N1CCCCCC1 2739544 HDELGGLECHXKCT-UHFFFAOYSA-N 223.341 2.693 0 50 BFAA Cc1nc(-c2cccc(C=O)c2)cs1 4200649 FQQPVEKQPGDYPD-UHFFFAOYSA-N 203.266 2.931 0 50 BFAA in-vitro CC1CCC(NCCN2CCCCC2)CC1 19637157 CGVVRKDALJBAIH-UHFFFAOYSA-N 224.392 2.641 0 50 BFAA CC[C@H](N)Cc1c[nH]c2cccc(C)c12 44409549 XKHCIOVNXOVPIK-NSHDSACASA-N 202.301 2.756 0 50 BFAA in-vitro Fc1ccc(CC[C@H]2CCCNC2)cc1F 71523548 OVSJQTYGUVXGPI-LLVKDONJSA-N 225.282 2.897 0 50 BFAA CC(=O)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C 114933578 WPGRNRNFZMZNFY-VHSXEESVSA-N 226.316 2.579 0 50 BFAA COc1cc(-c2ccc(C(=O)O)c(F)c2)ccn1 122659505 OSDMTONWFDHRIZ-UHFFFAOYSA-N 247.225 2.595 0 50 BFAA O=Cc1cc2scc(Br)c2[nH]1 142561214 LNTDGXCTUVOBQT-UHFFFAOYSA-N 230.086 2.804 0 50 BFAA O=C(Nc1ccc(F)cc1)[C@@H](F)C(F)(F)F 252507422 WKYPZOHQEMZMQF-SSDOTTSWSA-N 239.143 2.665 0 50 BFAA O=C1Nc2ccccc2OCC12CCCC2 259300685 QQVZNGAGCLAEAY-UHFFFAOYSA-N 217.268 2.578 0 50 BFAA CN(Cc1ccccc1F)C(=O)C1=CCC1 335811495 QATYMXZNUGVGEL-UHFFFAOYSA-N 219.259 2.504 0 50 BFAA Cc1nnc(CNc2ccc(F)cc2)s1 335912617 FIDVLSJALCBFGE-UHFFFAOYSA-N 223.276 2.598 0 50 BFAA C=CC(=O)N[C@@H](CC(F)(F)F)C(C)(C)C 585122697 HALDBOXAXAWBSO-ZETCQYMHSA-N 223.238 2.656 0 50 BFAA C=CC(=O)N1CCC(c2ccsc2)CC1 863971070 DGHLHSNANQUHSQ-UHFFFAOYSA-N 221.325 2.640 0 50 BFAA O=C(Nc1ccc(F)nc1)N1CC[C@@H]2CCC[C@@H]21 930424111 IPRMPNKKWNCCPM-ONGXEEELSA-N 249.289 2.627 0 50 BFAA Cc1nnc2n1CC[C@@H](c1ccccc1)CC2 2100537247 KICKOADKJAWCCS-ZDUSSCGKSA-N 227.311 2.707 0 50 BFAA CCCN1CCC[C@H](c2cccc(O)c2)C1 393 HTSNFXAICLXZMA-ZDUSSCGKSA-N 219.328 2.982 0 50 BFAA biogenic,in-vivo Nc1cc(C(F)(F)F)cc(Cl)c1N 152845 NVNLHLRVSHJKBN-UHFFFAOYSA-N 210.586 2.523 0 50 BFAA in-vitro NNc1ccc(Cl)c(C(F)(F)F)c1 166058 FAZMLWKEIQLIJM-UHFFFAOYSA-N 210.586 2.644 0 50 BFAA in-vitro Cn1c(NCc2ccccn2)nc2ccccc21 350249 ASLWKAGVMWDGJA-UHFFFAOYSA-N 238.294 2.580 0 50 BFAA c1ccc(CSc2ncccn2)cc1 469814 AYNTXICLWNGOHZ-UHFFFAOYSA-N 202.282 2.769 0 50 BFAA C/C=C(\C)c1nnc(NC(=O)OCC)s1 618343 SKPQPGPPIPLVRZ-GQCTYLIASA-N 227.289 2.530 0 50 BFAA CCC(C)(C)NC(=O)c1cccc(F)c1 619999 SNJJYRYEILGKOE-UHFFFAOYSA-N 209.264 2.744 0 50 BFAA CC(C)c1ccc(C(=O)NC2CC2)cc1 1218629 VFVBMKVASDVWHW-UHFFFAOYSA-N 203.285 2.702 0 50 BFAA O=C(NCc1ccc(F)cc1)c1cccs1 2912781 MXQYPMNMVLKJSO-UHFFFAOYSA-N 235.283 2.817 0 50 BFAA O=C(O)CCCC(=O)Nc1ccccc1Cl 4795478 YMDBQOCQTCIQBR-UHFFFAOYSA-N 241.674 2.533 0 50 BFAA Clc1ncc2c(n1)-c1ccccc1CC2 40449712 NBVWPKBPZNKRDG-UHFFFAOYSA-N 216.671 2.896 0 50 BFAA COc1ccc2nc(C)nc(Cl)c2c1 82164295 YOQQPWWCYHJCGV-UHFFFAOYSA-N 208.648 2.600 0 50 BFAA in-vitro O=Cc1c(C(F)(F)F)ccnc1Cl 86014464 YXIMMXIGICNTOF-UHFFFAOYSA-N 209.554 2.566 0 50 BFAA CCC1=NC[C@H]2c3cccc(OC)c3O[C@]12C 96027952 HLFISRJGUDVBPT-HZMBPMFUSA-N 231.295 2.795 0 50 BFAA CC[C@@H](C(=O)O)c1ccc(N)c(Cl)c1 116606243 APKGOXFOTBQTLW-SSDOTTSWSA-N 213.664 2.500 0 50 BFAA CCOC(=O)C[C@@H](C)c1ccc(OC)cc1 176749443 ORAUFGIENZKKPP-SNVBAGLBSA-N 222.284 2.752 0 50 BFAA CC(C)(C)[C@H]1OCC[C@@H]1CNCc1cccnc1 189238914 SOEPVSWLCIZDKL-KGLIPLIRSA-N 248.370 2.622 0 50 BFAA Cc1cccc(OCCc2cnn(C)c2)c1C 226149754 ILMOPASIGXSDLS-UHFFFAOYSA-N 230.311 2.658 0 50 BFAA CCC(=O)Nc1ncc(C(F)(F)F)s1 277187314 MUYCWOUXCBXTLB-UHFFFAOYSA-N 224.207 2.510 0 50 BFAA CN(C)C(=O)c1cc(F)c2ccccc2c1 336381190 AGZXSNNBDJLTGQ-UHFFFAOYSA-N 217.243 2.681 0 50 BFAA COC(=O)Cc1cccc(-c2c(C)noc2C)c1 592986908 NCECLDURHJRFOW-UHFFFAOYSA-N 245.278 2.674 0 50 BFAA O=C(Nc1ccsc1)c1cc[nH]c2nccc1-2 1150963996 ZWSOPGIGCLZKRA-UHFFFAOYSA-N 243.291 2.828 0 50 BFAA CC(=O)N[C@@H](C)c1cc2cc(F)ccc2o1 1875262697 JGEONMDVMNCXCV-ZETCQYMHSA-N 221.231 2.769 0 50 BFAA Cc1ccc(C(=O)N2CCCCC2)cc1C 30326 OZSZVSREDOZENF-UHFFFAOYSA-N 217.312 2.930 0 50 BFAA CCOc1ccc2oc(C)c(C(=O)OC)c2c1 389364 VODVYHQUONNOAQ-UHFFFAOYSA-N 234.251 2.927 0 50 BFAA NCC[C@H](c1ccc(F)cc1)c1ccco1 509722 ZLSUIZBQNWPKTJ-GFCCVEGCSA-N 219.259 2.899 0 50 BFAA in-vitro CC(=O)OCc1ccc2ccccc2c1 1600759 HKBNQGIZBGLLAL-UHFFFAOYSA-N 200.237 2.903 0 50 BFAA CC(=O)OC[C@@]12CO[C@@H](C)[C@@H](C1)C(C)=C[C@H]2C 3159793 FLTREWUZEUGCGE-XWUBHJNHSA-N 238.327 2.557 0 50 BFAA biogenic CC(=O)OC(C)(C)C(=O)CCc1ccccc1 4948125 VEXHDBZGERSBFX-UHFFFAOYSA-N 234.295 2.530 0 50 BFAA Brc1csc([C@H]2CCCN2)c1 6658335 GRUJACRKOZWRRB-SSDOTTSWSA-N 232.146 2.935 0 50 BFAA in-vitro CCCCNC(=O)N1c2ccccc2C[C@H]1C 6731768 DSTZGTMWHFCETE-LLVKDONJSA-N 232.327 2.947 0 50 BFAA CCCNC(=O)Nc1ccc2c(c1)CCC2 6731818 AMACCFYHTOYZEV-UHFFFAOYSA-N 218.300 2.707 0 50 BFAA C[C@H](N)Cn1ccc2cc(F)c(Cl)cc21 12841339 XJJZQXUGLLXTHO-ZETCQYMHSA-N 226.682 2.781 0 50 BFAA in-vivo CCCCN1CCn2c(nc3ccccc32)C1 19855373 KQTROPRVGLIWKT-UHFFFAOYSA-N 229.327 2.652 0 50 BFAA Clc1ccc(N[C@H]2CN3CCC2CC3)cc1 20440912 RIFXOUKYPKYPOH-ZDUSSCGKSA-N 236.746 2.846 0 50 BFAA O=c1cc(-c2ccco2)nc(-c2ccco2)o1 22241931 PRXYUSHWJZSSNB-UHFFFAOYSA-N 229.191 2.555 0 50 BFAA C[C@@H](NC1=CC(=O)CCC1)c1ccccc1 34510733 RGJGABZQVMETQT-LLVKDONJSA-N 215.296 2.974 0 50 BFAA COC(=O)c1[nH]c2c(C)cccc2c1C 34541556 RAGWOSNMOATCDR-UHFFFAOYSA-N 203.241 2.571 0 50 BFAA Cc1cccc2[nH]nc(-c3cccnc3)c12 65465767 DSOYCXBYHCJRLJ-UHFFFAOYSA-N 209.252 2.933 0 50 BFAA c1ccc2c(c1)CC(NCCC[C@@H]1CCOC1)C2 65470568 YAGRGNPIKIRCIE-CYBMUJFWSA-N 245.366 2.560 0 50 BFAA NC(=S)Nc1cc(Cl)c(F)c(Cl)c1 67800158 RTTKPDUVACYXRO-UHFFFAOYSA-N 239.102 2.788 0 50 BFAA CC(=O)N1CCCCc2[nH]c3ccccc3c21 71774187 XYWTWQMHSQZKEB-UHFFFAOYSA-N 228.295 2.857 0 50 BFAA Cc1nc(Br)c2ccccc2n1 72192210 PLCATIPCMQVWJZ-UHFFFAOYSA-N 223.073 2.701 0 50 BFAA in-vitro C[C@@H]1OCC[C@H]1N1CC[C@@H](Cc2ccccc2)C1 221704494 NVJDAWQODCUXIW-CWRNSKLLSA-N 245.366 2.728 0 50 BFAA C[C@H]1C[C@@H](C)O[C@H]1c1nc(-c2ccccn2)no1 283745271 FDBAOMMEEMTNKO-IQJOONFLSA-N 245.282 2.618 0 50 BFAA O=C1C[C@@H]2CC[C@H](C1)N2c1nc2ccccc2o1 328598934 PGNKIFKMCSCRLI-AOOOYVTPSA-N 242.278 2.528 0 50 BFAA CC(C)(N)CN1CCC[C@@H]1c1ccccc1 335880808 YVPCIZPDBQKTKZ-CYBMUJFWSA-N 218.344 2.561 0 50 BFAA CCc1cnc(C)nc1NCCCn1cccc1 1704301065 IJPPWMIAMBDYNW-UHFFFAOYSA-N 244.342 2.651 0 50 BFAA CN(C)c1ncccc1-c1ccc2c(n1)CCC2 1875245701 MOIXBVIVXCHFCC-UHFFFAOYSA-N 239.322 2.698 0 50 BFAA Cc1cc(-c2ocnc2Cc2ccccc2)n[nH]1 2356160151 FSONYJKGQOVZEB-UHFFFAOYSA-N 239.278 2.964 0 50 BFAA C[C@H]1CCCCN1C(=O)c1cccs1 29173 YSIORHVCVRQUFC-VIFPVBQESA-N 209.314 2.763 0 50 BFAA CC(=O)c1c(-c2ccccc2)noc1C 123976 LWPHDEBMXBDBBO-UHFFFAOYSA-N 201.225 2.853 0 50 BFAA in-vitro Clc1ccccc1-n1nnnc1-c1ccco1 406347 JYMLUEPQLWIYOF-UHFFFAOYSA-N 246.657 2.576 0 50 BFAA COc1ccc(CNC(=O)c2ccc(C)o2)cc1 484184 PQBWZRYWPBCCNI-UHFFFAOYSA-N 245.278 2.527 0 50 BFAA CCCC(=O)Nc1nc2ccc(N)cc2s1 1067805 PVUFOVSUKKNTNG-UHFFFAOYSA-N 235.312 2.617 0 50 BFAA O=C(O)c1cccc2c3c([nH]c12)CCCC3 2565607 POBJTDRFZSKTBC-UHFFFAOYSA-N 215.252 2.745 0 50 BFAA in-vitro Cc1ccc(C(=O)OCCN(C)C(C)(C)C)cc1 2927530 SEMAEFNFZGCVNU-UHFFFAOYSA-N 249.354 2.882 0 50 BFAA C[C@@H]1CCCCN1CCOc1ccccc1C=O 6681921 AIUSVEIXGVNEFE-CYBMUJFWSA-N 247.338 2.752 0 50 BFAA COC(=N)CCCCCCC(=N)OC 12358642 FRTGEIHSCHXMTI-UHFFFAOYSA-N 200.282 2.574 0 50 BFAA in-vitro COC(=O)Nc1ccc(Br)cc1C 13325712 AGJUQTOEIMWQCV-UHFFFAOYSA-N 244.088 2.936 0 50 BFAA CCc1nn(C)c2cc(Br)ccc12 34557494 YEMQBIFFMIZONT-UHFFFAOYSA-N 239.116 2.898 0 50 BFAA in-vitro CCCc1nc(C)sc1C(=O)OCC 67597260 WYMVFCXUMRELQA-UHFFFAOYSA-N 213.302 2.581 0 50 BFAA CCCNC(=O)[C@@H](C)Oc1ccc(C)c(C)c1 72115448 NTQKAUPRFNJPPK-GFCCVEGCSA-N 235.327 2.597 0 50 BFAA O=C1c2sccc2N[C@@H]2CCCCCN12 96511631 FIGNDJOQOKNIOG-VIFPVBQESA-N 222.313 2.516 0 50 BFAA O=C(Nc1ccc(Cl)c(F)c1)C(F)(F)F 112826110 YMGGSGUQDWLEOT-UHFFFAOYSA-N 241.571 2.980 0 50 BFAA O=C(CCCC1CCCC1)N1CCCCO1 190070647 YBJOAUDOACMDFM-UHFFFAOYSA-N 225.332 2.901 0 50 BFAA C=CC(=O)N[C@H]1CC[C@H](c2ccc(F)cc2)C1 863971565 YXVSWUFTVQHGGL-AAEUAGOBSA-N 233.286 2.764 0 50 BFAA O[C@@H]1c2cccc(Br)c2CC1(F)F 1775954901 VFJXHOSBHFVREH-MRVPVSSYSA-N 249.054 2.674 0 50 BFAA COc1nc2ccccc2cc1-c1cnn(C)c1 1875243988 HPRLENHDNKQYHS-UHFFFAOYSA-N 239.278 2.644 0 50 BFAA COc1cc(OC)cc(-c2nncc(C)c2C)c1 2100541267 YLCLPFCOIUCQLP-UHFFFAOYSA-N 244.294 2.778 0 50 BFAA c1ccc2[nH]c(SCCN3CCCC3)nc2c1 182699 ADAKOCFRTDPWLS-UHFFFAOYSA-N 247.367 2.751 0 50 BFAA CC(=O)N[C@H](C)c1ccc(Br)cc1 295652 DRRCKKJEBGEBGR-SSDOTTSWSA-N 242.116 2.646 0 50 BFAA O=Cc1ccc(OCc2cscn2)cc1 337617 LTBNVXWZLUHELL-UHFFFAOYSA-N 219.265 2.535 0 50 BFAA in-vitro Cc1ccc(NC(=O)C2CC2)cc1Cl 364267 JSZIDEKIESWCSH-UHFFFAOYSA-N 209.676 2.997 0 50 BFAA COc1ccc(S(=O)(=O)c2ccccc2)cc1 400073 KXUNNMWAIMNUPH-UHFFFAOYSA-N 248.303 2.528 0 50 BFAA Cc1ccccc1OCCCn1ccnc1 2493427 YBLWYKUEVIWTFV-UHFFFAOYSA-N 216.284 2.661 0 50 BFAA NCCOc1cccc(Oc2ccccc2)c1 4761251 IYCFGQGYHUFHRB-UHFFFAOYSA-N 229.279 2.816 0 50 BFAA O=C(Nc1ccc2c(c1)OCCO2)C1CCCC1 5678152 PVUPJHVSGQBVQF-UHFFFAOYSA-N 247.294 2.587 0 50 BFAA Cc1noc(C)c1COc1cccc(C=O)c1 6658328 SMHSPYJAXOUORW-UHFFFAOYSA-N 231.251 2.683 0 50 BFAA in-vitro CC[C@@H](C)C(=O)Nc1cc(C(=O)O)ccc1C 6728911 LVYBDTKRVRCPBF-MRVPVSSYSA-N 235.283 2.678 0 50 BFAA Cc1ccc(C2=NNC(=O)[C@H]3CCCC[C@H]23)cc1 6814423 CAGGMZIQVSXHRG-STQMWFEESA-N 242.322 2.635 0 50 BFAA C[C@H]1CCCc2sc3ncnc(N)c3c21 12404914 HHDQALFTQXKWNB-LURJTMIESA-N 219.313 2.713 0 50 BFAA in-vitro Fc1cc(Br)ccc1C1OCCO1 14807928 QBJYRHCYSHXBAY-UHFFFAOYSA-N 247.063 2.634 0 50 BFAA in-vitro COc1ccc2[nH]cc(Br)c2c1 21982340 GWHRVHGTNVEUCZ-UHFFFAOYSA-N 226.073 2.939 0 50 BFAA C1CO[C@H](CNC2C3CC4CC(C3)CC2C4)C1 23282606 DCEQXZBSAGKNTI-BPHCLYMKSA-N 235.371 2.580 0 50 BFAA O=C(O)[C@@H]1CCC=C(c2ccccc2)C1 34616158 OVWNXCMOOIFDPC-GFCCVEGCSA-N 202.253 2.955 0 50 BFAA O=C1CCC(O)(c2ccc(Cl)cc2)CC1 35636710 WEMZPTVFMJNMRK-UHFFFAOYSA-N 224.687 2.671 0 50 BFAA in-vitro C[C@@]1(O)C=C[C@@H](Cc2ccccc2)CC1 45071672 OTDQKHHEHQWPIL-ZIAGYGMSSA-N 202.297 2.946 0 50 BFAA CCCc1nccn1-c1cc(C)ccn1 65403566 VLYSSHBJGZMNPR-UHFFFAOYSA-N 201.273 2.528 0 50 BFAA CC(C)c1nccn1[C@H](C)c1nc(C2CC2)n[nH]1 65463881 YUBDZGHVCBFIIC-SECBINFHSA-N 245.330 2.611 0 50 BFAA FC1(F)CN(c2cc(C(F)(F)F)ccn2)C1 169725708 IXCHRNSOTBUDEL-UHFFFAOYSA-N 238.159 2.556 0 50 BFAA CC(C)(C)OC(=O)CCC(=O)Cc1ccccc1 238852639 GSNPCIQEMIVIJG-UHFFFAOYSA-N 248.322 2.920 0 50 BFAA CCc1cnc(NC(=O)c2ccoc2C2CC2)o1 585124878 XTTMSXGMUWBKKY-UHFFFAOYSA-N 246.266 2.960 0 50 BFAA C=CC(=O)NCc1c(OC)ccc2ccccc12 585133976 PJXJPMHXOSXZCH-UHFFFAOYSA-N 241.290 2.651 0 50 BFAA Cc1ccc2n[nH]cc2c1[C@H]1NCCC[C@H]1C 757213710 QNPNOCSIKUITDQ-YGRLFVJLSA-N 229.327 2.932 0 50 BFAA Cc1nc(-c2cncc(O)c2)c2sccc2n1 1236573733 LSOJLHOMEHEJIT-UHFFFAOYSA-N 243.291 2.767 0 50 BFAA O=C(O)[C@@H]1C[C@@H]1[C@H]1C[C@H]1c1ccc(F)cc1 1775965111 DHRFICORGRNPPF-NNYUYHANSA-N 220.243 2.650 0 50 BFAA Nc1ccc(Br)c2cccnc12 78236 GEABITRRZOHARP-UHFFFAOYSA-N 223.073 2.580 0 50 BFAA in-vitro O=C(O)c1ccc(-c2ccc(O)c(F)c2)cc1 362990 WHAOIFHFUMILMM-UHFFFAOYSA-N 232.210 2.897 0 50 BFAA in-vitro COC(=O)c1c(Cl)cccc1Cl 2243825 HEYGSGDIWJDORA-UHFFFAOYSA-N 205.040 2.780 0 50 BFAA O=C1N=C2Nc3ccccc3NC=C2S1 2473923 JMFIXPXHIGPVLH-UHFFFAOYSA-N 217.253 2.631 0 50 BFAA C[C@H](CCN1CCC[C@H](CO)C1)c1ccccc1 4612555 UZWDCTRSDGYWLJ-CABCVRRESA-N 247.382 2.885 0 50 BFAA Cc1cc(=O)oc2cc3cc(C)n(C)c3cc12 5092039 JZKCOWNELQDERA-UHFFFAOYSA-N 227.263 2.902 0 50 BFAA Cc1cc(C)cc(NC(=O)N2CCCC2)c1 6729914 PUCOKYOYTOOFMN-UHFFFAOYSA-N 218.300 2.931 0 50 BFAA CCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O 12647631 XVQDXDHZJPGIIN-SECBINFHSA-N 245.319 2.545 0 50 BFAA CCOc1ccc2[nH]c(C)c(C(=O)O)c2c1 71493475 RUQVBVMYRGVVIK-UHFFFAOYSA-N 219.240 2.573 0 50 BFAA Cc1c[nH]nc1CN1CCCc2ccccc21 225418327 XBXBDDKTDZMCLS-UHFFFAOYSA-N 227.311 2.671 0 50 BFAA Nc1nc2c(F)c(Br)ccc2s1 238606248 LWXCVPDDCLOKOO-UHFFFAOYSA-N 247.092 2.780 0 50 BFAA O=C(Nc1ccccc1)[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 244691620 JFZRWFPPTGPNIX-GOCOPAARSA-N 227.307 2.917 0 50 BFAA O=C(O)c1ccc(-c2cnn(CC3CC3)c2)cc1 534574541 OXIOINYTFLYQAY-UHFFFAOYSA-N 242.278 2.658 0 50 BFAA CC1(C)C[N@]2C(c3ccc(Cl)cc3)[N@@]2C1 1857622328 GRLMWLSCQPITMV-HUUCEWRRSA-N 222.719 2.911 0 50 BFAA CCOP(=O)(OCC)c1ccc(Cl)nc1 1857786853 HMMXTBQAZWPHKH-UHFFFAOYSA-N 249.634 2.626 0 50 BFAA C=CC(=O)NC[C@@H]1C[C@H](OC(C)(C)C)C1(C)C 1875368171 WZSOFMSEPMQHNH-QWRGUYRKSA-N 239.359 2.518 0 50 BFAA Cc1cccc(NC(=O)c2cccnc2)c1 29538 XZDOYZLZHKFSOX-UHFFFAOYSA-N 212.252 2.642 0 50 BFAA NC(=O)c1sc2cc(F)ccc2c1Cl 442774 SVVHNBAZLSIIIR-UHFFFAOYSA-N 229.663 2.793 0 50 BFAA O=C(NCc1cccs1)c1cc(C2CC2)on1 2497941 PGGCCFBTIHMECP-UHFFFAOYSA-N 248.307 2.544 0 50 BFAA Cc1cnc(NC(=O)c2ccccc2F)s1 3190693 QRJKNILKQIBARO-UHFFFAOYSA-N 236.271 2.843 0 50 BFAA CC[C@H](Oc1ccc(Cl)cc1)C(=O)O 5921945 CEJKAKCQVUWNNA-VIFPVBQESA-N 214.648 2.582 0 50 BFAA in-vitro CCCc1nnc(S)n1CCc1ccccc1 6400083 LUHYWPNPSIAWCG-UHFFFAOYSA-N 247.367 2.762 0 50 BFAA Cc1cc(Nc2ccccc2O)nc(C)n1 8614915 BEHHWLFDHZJBHX-UHFFFAOYSA-N 215.256 2.543 0 50 BFAA COC(=O)c1cn[nH]c1-c1ccc(Cl)cc1 40456603 BBVYBWZSDIZSCT-UHFFFAOYSA-N 236.658 2.517 0 50 BFAA in-vitro COc1ccccc1[C@H](C)NC(=O)C(C)C 49940530 WVOTZMNWSORPEZ-JTQLQIEISA-N 221.300 2.528 0 50 BFAA O=Cc1ccc2cc(Br)cnc2c1 71864035 ARXAJGOYRWLLNK-UHFFFAOYSA-N 236.068 2.810 0 50 BFAA in-vitro CC(=O)c1cc(C)cc(Br)c1 84478647 QDCCNYXYTIETKO-UHFFFAOYSA-N 213.074 2.960 0 50 BFAA in-vitro OC[C@]12c3ccccc3[C@@H]3c4ccccc4[C@@H]1[C@@H]32 105346960 HUSHTEIJWWUKCO-HZMVEIRTSA-N 234.298 2.789 0 50 BFAA CC(C)(C)OC(=O)[C@@H](N)CC1CCCCC1 116930966 BFHYVCSFGFKQIG-NSHDSACASA-N 227.348 2.626 0 50 BFAA O=Cc1cccc(F)c1OCC(F)(F)F 159490151 HOZSGAKRDRTJAB-UHFFFAOYSA-N 222.137 2.579 0 50 BFAA FC1=CCCN(c2cnc3ccccc3n2)C1 334276721 CWKZOAFKCUJHPP-UHFFFAOYSA-N 229.258 2.693 0 50 BFAA c1cc2c[nH]nc2cc1CS[C@@H]1CCCOC1 594898601 WDSZAEMQLLSPTM-GFCCVEGCSA-N 248.351 2.975 0 50 BFAA CC(C)N(CC[C@H]1CCCC1(F)F)CC(=O)O 883407609 ZYSSGAASPMAQJM-SNVBAGLBSA-N 249.301 2.607 0 50 BFAA C=CC(=O)NCC[C@@H](c1ccccc1)C1CC1 1775997479 KQSUMYQQDQARMQ-AWEZNQCLSA-N 229.323 2.873 0 50 BFAA CC1(C)C[N@@]2C(c3ccc(Cl)cc3)[N@]2C1 1857622327 GRLMWLSCQPITMV-GJZGRUSLSA-N 222.719 2.911 0 50 BFAA Cc1ccncc1NC(=O)CC1C[C@@H]2C[C@H]2C1 1875290663 WEHZCBNACMTKKE-VXGBXAGGSA-N 230.311 2.765 0 50 BFAA c1cc2c3c(c1)c1c(n3CCNC2)CCCC1 9262 OIGHTPDWPMLMGT-UHFFFAOYSA-N 226.323 2.623 0 50 BFAA in-vitro O=C1COc2ccccc2N1Cc1ccccc1 88437 VHTLTHHJLPLDOK-UHFFFAOYSA-N 239.274 2.612 0 50 BFAA CCOC(=O)c1oc2cccc(O)c2c1C 195162 NBTXBAOGAXOKEV-UHFFFAOYSA-N 220.224 2.624 0 50 BFAA Cc1ccccc1OCc1ccc(C=O)o1 373428 RKMOJIBXVQWNJG-UHFFFAOYSA-N 216.236 2.980 0 50 BFAA O=C(CCN1CCCCC1)c1ccc(F)cc1 1681188 MMOPHTBJNNBLFU-UHFFFAOYSA-N 235.302 2.884 0 50 BFAA O=C(O)c1ccccc1-c1ccccc1CO 2017210 SPNSKYPCPQHXRA-UHFFFAOYSA-N 228.247 2.544 0 50 BFAA in-vitro CCOc1ccc(C)nc1Br 5041162 PGOTYFSQFOHPMW-UHFFFAOYSA-N 216.078 2.551 0 50 BFAA Cc1cc(C)n2c(nc3ccccc32)c1C(=O)O 6645103 NNLTUBVFUBEOLA-UHFFFAOYSA-N 240.262 2.803 0 50 BFAA in-vitro CCCNC(=O)c1ccc(OC(C)C)cc1 6746358 SAKGWTFXSHCZGU-UHFFFAOYSA-N 221.300 2.614 0 50 BFAA Cc1cc(N)ccc1NC(=O)C1CCCC1 8703476 MFMKLLUADPTKCW-UHFFFAOYSA-N 218.300 2.706 0 50 BFAA in-vitro Cc1ccc2nc(O)c(CCC(=O)O)c(C)c2c1 8733249 IAMHBULUYWCXRP-UHFFFAOYSA-N 245.278 2.574 0 50 BFAA biogenic C[C@H](c1cccs1)N(C)C(=O)c1cc[nH]c1 68285397 FVJJJFJFFRVCTJ-SECBINFHSA-N 234.324 2.909 0 50 BFAA CC(C)[C@@H](O)c1ccc(Br)cn1 130009896 WANDTGRVSUSACC-SECBINFHSA-N 230.105 2.534 0 50 BFAA CC(C)(C)C(=O)n1ncc2ccccc21 219670179 OEYKDPCWPCBYJC-UHFFFAOYSA-N 202.257 2.723 0 50 BFAA COC(=O)c1ccc(-c2cncn2C(C)C)cc1 261165460 XFZZKRSKJHCBFZ-UHFFFAOYSA-N 244.294 2.918 0 50 BFAA Cc1cc(-c2n[nH]c(C(C)(C)C)n2)ccc1O 426632851 IDJPESXTNAJXLF-UHFFFAOYSA-N 231.299 2.783 0 50 BFAA Clc1ncncc1Cc1ccsc1 1775973595 VHNFGCFGVXSYSW-UHFFFAOYSA-N 210.689 2.782 0 50 BFAA CCOC(=O)c1ccc(-c2ccc(C=O)o2)cc1 35746 UWLKFGFYBKJASW-UHFFFAOYSA-N 244.246 2.936 0 50 BFAA in-vitro Cc1ccccc1C(=O)NCc1ccco1 128815 UXIIWEXTWQAJSJ-UHFFFAOYSA-N 215.252 2.518 0 50 BFAA CN(C)C(=O)c1ccc2c3c(cccc13)CC2 245351 KANMWOQGNYWIRL-UHFFFAOYSA-N 225.291 2.640 0 50 BFAA COc1cc(Cl)c(Cl)c(N)c1OC 336563 LVZMHGQNARHODT-UHFFFAOYSA-N 222.071 2.593 0 50 BFAA Cc1ccccc1C(=O)c1ccc(O)c(C)c1O 345840 OEYUQGVMDMJBNO-UHFFFAOYSA-N 242.274 2.946 0 50 BFAA Cc1ccc(CN(C)CCc2ccccn2)o1 757123 GBHOLGLACQFEML-UHFFFAOYSA-N 230.311 2.658 0 50 BFAA Brc1ccc2cccnc2c1 1020114 XYBSZCUHOLWQQU-UHFFFAOYSA-N 208.058 2.997 0 50 BFAA in-vitro O=C(O)[C@H]1CCCC[C@@H]1C(=O)c1cccs1 1081364 OHEBPHKWGCMUNK-IUCAKERBSA-N 238.308 2.822 0 50 BFAA O=Cc1ccnc2c(Br)cccc12 1526852 JRKLRIAIMIKGHT-UHFFFAOYSA-N 236.068 2.810 0 50 BFAA CCCOc1cc(O)cc(OCCC)c1 2512416 SHZCHGMKOUMNAW-UHFFFAOYSA-N 210.273 2.970 0 50 BFAA COC(=O)c1cc(-c2ccccc2)ccc1O 2738223 ANCWLMBYNOSXQA-UHFFFAOYSA-N 228.247 2.846 0 50 BFAA CCCOc1cc(Cl)c(C=O)cc1OC 2776149 VCEIJWMWXADXLH-UHFFFAOYSA-N 228.675 2.950 0 50 BFAA in-vitro Cc1ccc(C(=O)[C@H](O)c2ccccc2)cc1 3132343 ZXFSXZYDGCZLBE-CQSZACIVSA-N 226.275 2.911 0 50 BFAA biogenic COC[C@H](C)NCc1cccc(C(F)(F)F)c1 4030944 VCZJZOJROZZDRA-VIFPVBQESA-N 247.260 2.830 0 50 BFAA Cc1ccc(C)c(-c2csc(N)c2C(N)=O)c1 12404912 SAQXOCAFIBTNSH-UHFFFAOYSA-N 246.335 2.713 0 50 BFAA Cl/C(=C\c1ccccc1)CN1CCOCC1 19633903 XFFQBDYXUBMLTP-RAXLEYEMSA-N 237.730 2.599 0 50 BFAA COC(=O)[C@@H]1CCCCC2(CCCCC2)C1=O 43214839 MJZRPNNBPWHNIA-LLVKDONJSA-N 238.327 2.869 0 50 BFAA CCC(=O)c1cnc(Br)c(C)c1 72221912 PJWZHUFFASFNGZ-UHFFFAOYSA-N 228.089 2.745 0 50 BFAA Cc1cccc(OCc2nc(C(=O)O)cs2)c1 72228387 VLTPSFHFYPHFND-UHFFFAOYSA-N 249.291 2.729 0 50 BFAA CC[C@H](C)Nc1cc(C(F)(F)F)n[nH]1 79387542 NCNVEASFNOBBTN-YFKPBYRVSA-N 207.199 2.639 0 50 BFAA COc1ccc(C(N)=O)cc1-c1sccc1C 96151826 ZGLNTDRJKCKOTC-UHFFFAOYSA-N 247.319 2.831 0 50 BFAA CC1=Nc2cc(C)c(C)cc2NC(=O)C1 100244569 IDDCWQJUWJCXKM-UHFFFAOYSA-N 202.257 2.738 0 50 BFAA in-vitro COC(=O)c1cc(Cl)c2[nH]cc(C)c2c1 261201947 AJKLRBSMVKYPMF-UHFFFAOYSA-N 223.659 2.916 0 50 BFAA COc1cc(F)cc(-c2ccc(C(=O)O)o2)c1 312424296 QDYRPEDVXDVLMO-UHFFFAOYSA-N 236.198 2.793 0 50 BFAA N[C@H]1C[C@H](c2cccc(Br)c2)C1 498036571 LQLSFITUIQFMQG-CZMCAQCFSA-N 226.117 2.654 0 50 BFAA C=CC(=O)NCc1csc(C(F)(F)F)c1 863971504 VWRQZARYBQOEIO-UHFFFAOYSA-N 235.230 2.569 0 50 BFAA Cc1nc(N(C)C[C@H]2CCOC2)ccc1Cl 1506401804 NZMLADFOXDDFFN-SNVBAGLBSA-N 240.734 2.516 0 50 BFAA Brc1cncc(Br)c1 32311 SOSPMXMEOFGPIM-UHFFFAOYSA-N 236.894 2.607 0 50 BFAA biogenic,in-vitro CCC[C@H](C)C(=O)NCc1ccc(OC)cc1 450094 HYFRYIZBLORNAY-NSHDSACASA-N 235.327 2.748 0 50 BFAA biogenic CC[C@@H](C)NC(=O)c1ccc(Br)o1 1284933 RIOMRMODIBYHOI-ZCFIWIBFSA-N 246.104 2.570 0 50 BFAA CCN(CCO)Cc1cccc2ccccc12 1670027 LMPSOHRJZZCXOK-UHFFFAOYSA-N 229.323 2.654 0 50 BFAA O=C(O)CCCC(=O)c1cccc(Cl)c1 2378668 HFTNETNQJWKQFK-UHFFFAOYSA-N 226.659 2.778 0 50 BFAA O=C(O)Cc1ccccc1Cc1ccccc1 6927493 YSJHDWWFQVLNMR-UHFFFAOYSA-N 226.275 2.905 0 50 BFAA CCC(=O)Nc1cccc(NC(=O)CC)c1C 12847259 BROBCILYFJZJEI-UHFFFAOYSA-N 234.299 2.692 0 50 BFAA CC1CCN(C(=S)c2ccccc2O)CC1 13124713 MYTNDQBMUZXFAA-UHFFFAOYSA-N 235.352 2.800 0 50 BFAA C[C@H]1CCCCN1CCN1CCCC[C@@H]1C 23292241 HFJJHXUCQWRVQD-KBPBESRZSA-N 224.392 2.735 0 50 BFAA Nc1ccc2c(Br)cccc2n1 26474716 KBQIVWNPOZQTTE-UHFFFAOYSA-N 223.073 2.580 0 50 BFAA CCC[C@@H](O)CNCc1cccc(Cl)c1 123295168 NMQHZZNCBQBHTE-GFCCVEGCSA-N 227.735 2.591 0 50 BFAA NC[C@@H](F)c1ccc(C(F)(F)F)cc1 158059394 QCZXXFOJAXJQIU-MRVPVSSYSA-N 207.170 2.675 0 50 BFAA CCNCCO[Si](C)(C)C(C)(C)C 208388040 IRCUFFAUDXRHHM-UHFFFAOYSA-N 203.402 2.618 0 50 BFAA CN([C@@H]1C=CCCC1)[C@H](CO)c1ccccc1 264980012 KIVUDBNTXUTHFF-HUUCEWRRSA-N 231.339 2.761 0 50 BFAA COc1cc2ccccc2cc1[C@@H](C)O 1772575851 WCBCRDRIOSHBBG-SECBINFHSA-N 202.253 2.902 0 50 BFAA c1ccc2c([C@@H]3CCCCO3)n[nH]c2c1 1772718293 QQLGVJIHOHBHQR-NSHDSACASA-N 202.257 2.805 0 50 BFAA CC(C)(C)[C@@]1(O)CC(c2ccccc2)=NO1 267471 LGBJDIDPIXMVAU-CYBMUJFWSA-N 219.284 2.546 0 50 BFAA Clc1ccc(N2CCCCCC2)nn1 271967 SKNNHMTWELIESA-UHFFFAOYSA-N 211.696 2.510 0 50 BFAA in-vitro CCNC(=S)Nc1cccc(Cl)c1 439684 LLYHIRZDLYSGHC-UHFFFAOYSA-N 214.721 2.646 0 50 BFAA CC1(C)C[C@@H](C(=O)Nc2ccccc2)CCO1 522195 UZWCQCTWOKZZCM-NSHDSACASA-N 233.311 2.830 0 50 BFAA CSc1ccccc1C(=O)NCC(C)C 582866 WOQDGJPVRLDNTI-UHFFFAOYSA-N 223.341 2.794 0 50 BFAA CCCN1CCC(N2CCC(C)CC2)CC1 758074 DHJOTZUNLLABEI-UHFFFAOYSA-N 224.392 2.593 0 50 BFAA Cc1c(C(=O)Nc2ccon2)oc2ccccc12 1053999 GUIGJQARQUINPO-UHFFFAOYSA-N 242.234 2.982 0 50 BFAA Cc1ccc2c(c1)C1(SCCS1)C(=O)N2 1074651 ZEUBZCDNTJHGFZ-UHFFFAOYSA-N 237.349 2.580 0 50 BFAA FC(F)(F)c1cnc(-n2cccn2)c(Cl)c1 1391409 XNEXBWDTYFOAHE-UHFFFAOYSA-N 247.607 2.940 0 50 BFAA CCOC(=O)CCCCCCCCC(=O)O 1684884 DLZCDMPHHUODDO-UHFFFAOYSA-N 230.304 2.755 0 50 BFAA CC(C)(Br)Br 2034561 ARITXYXYCOZKMU-UHFFFAOYSA-N 201.889 2.512 0 50 BFAA in-vitro Brc1ccc([C@@H]2CCCN2)cc1 2582580 HIJZBROSVFKSCP-JTQLQIEISA-N 226.117 2.874 0 50 BFAA in-vitro CC(C)CCNC(=O)CCc1ccccc1 2774364 WDMXQGZXTKPLGF-UHFFFAOYSA-N 219.328 2.782 0 50 BFAA CC(C)(C)SCCNC(=O)c1ccccc1 2986612 VNVDPAPNZKLPEU-UHFFFAOYSA-N 237.368 2.948 0 50 BFAA Cc1nc(COc2ccc(C=O)cc2)cs1 4207353 LHPYGOIPPJVZPX-UHFFFAOYSA-N 233.292 2.843 0 50 BFAA CCc1ccc(O[C@H](C)c2nnc(N)s2)cc1 8338337 YNXINTUMCSZUOG-MRVPVSSYSA-N 249.339 2.823 0 50 BFAA O=C1CCCc2onc(Nc3ccccc3)c21 9668939 JHUGLZCZVODVSN-UHFFFAOYSA-N 228.251 2.937 0 50 BFAA Cc1ccc(C)c(O[C@H](C)C(=O)NC(C)C)c1 13710102 UYGXALZTCJUDEO-GFCCVEGCSA-N 235.327 2.595 0 50 BFAA Fc1ccc(S)c(Br)c1 15442767 GVFIOEXUIFLGOW-UHFFFAOYSA-N 207.067 2.877 0 50 BFAA CC[C@@H](C)[C@H](C(=O)OC)c1ccccc1 35100071 DEMNWNQRDYJAFU-PWSUYJOCSA-N 206.285 2.989 0 50 BFAA COc1cc(-c2cc3ccccc3[nH]2)[nH]c1C=O 35803830 LBTFRKGKBJBBFY-UHFFFAOYSA-N 240.262 2.984 0 50 BFAA O[C@@H]1O[C@H](c2ccccc2)c2ccccc21 71773898 XAXUZULEMMAVME-ZIAGYGMSSA-N 212.248 2.797 0 50 BFAA CCOC(=O)c1cccc(NC(=O)C(C)C)c1C 72117731 WPAWTDIRPKLTHX-UHFFFAOYSA-N 249.310 2.766 0 50 BFAA Nc1c(C(F)(F)F)cnc2ccccc12 97757550 FZRFXDGNVFQKER-UHFFFAOYSA-N 212.174 2.836 0 50 BFAA COC(=O)c1c(C)cc(F)cc1Br 98213421 AJLWZNNKJCBLHC-UHFFFAOYSA-N 247.063 2.683 0 50 BFAA in-vitro Cc1cc(F)c(C=O)cc1C(F)(F)F 142714074 QUDGANWVUGJKDO-UHFFFAOYSA-N 206.138 2.965 0 50 BFAA Cc1nc(CN(C#N)c2ccc(F)cc2)oc1C 225643521 QRGIQYAMIRFBHI-UHFFFAOYSA-N 245.257 2.918 0 50 BFAA CCc1nc([C@H]2CCCN2[C@@H]2C=CCCC2)no1 257365275 OVGWYGKOWXOEJI-VXGBXAGGSA-N 247.342 2.878 0 50 BFAA Cc1[nH]ccc1C(=O)NCC12CCC(CC1)C2 335930782 PQBWWNLNNAXLII-UHFFFAOYSA-N 232.327 2.633 0 50 BFAA Cc1noc(-c2ccnc(-c3ccncc3)c2)n1 426477922 MHMOUMKHQCOZBB-UHFFFAOYSA-N 238.250 2.502 0 50 BFAA CC(C)c1ccc(-c2ccc(N(C)C)nc2)nn1 426719991 QEMQXEPNRXIFHB-UHFFFAOYSA-N 242.326 2.728 0 50 BFAA COc1cc2c(cc1OC)CC1(CCCC1)N=C2 322075 HKUAIVBFYAEDRF-UHFFFAOYSA-N 245.322 2.992 0 50 BFAA biogenic CC(C)(C)C(=O)Nc1ccc(N)cc1Cl 569965 UVAVPWJVSUUELJ-UHFFFAOYSA-N 226.707 2.907 0 50 BFAA COc1ccc(-c2cnc(Cl)nc2)cc1 1529105 XASJMEVESBZEOO-UHFFFAOYSA-N 220.659 2.806 0 50 BFAA in-vitro COCCOc1cc(N)c(Cl)cc1Cl 2571523 LAYJEYSKRYZVSU-UHFFFAOYSA-N 236.098 2.601 0 50 BFAA O=C(O)C[C@H](c1ccccc1)n1cccc1 4103910 GLJWRQSFZOJOLE-GFCCVEGCSA-N 215.252 2.552 0 50 BFAA in-vitro C[C@@H]1CC[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2C1 4894194 KXMYNLHMKBLLLU-KGYLQXTDSA-N 243.306 2.612 0 50 BFAA C/C(=C\c1c[nH]c2ccccc12)C(=O)O 5046614 MQUKDCDDXFKISK-SOFGYWHQSA-N 201.225 2.656 0 50 BFAA Cc1ccc(C)n1[C@H](CC(=O)O)c1ccco1 6924004 DQHCAMPACSWKRR-LLVKDONJSA-N 233.267 2.762 0 50 BFAA COc1cc(Cl)c(C=O)c(Cl)c1 34362831 VOYUCTPCAWSYTF-UHFFFAOYSA-N 205.040 2.815 0 50 BFAA in-vitro O=C1CCc2ccc(OC(F)(F)F)cc21 42405053 USUMKWGNHPAWFX-UHFFFAOYSA-N 216.158 2.714 0 50 BFAA in-vitro Fc1cccc(F)c1CC[C@H]1CCCNC1 71738630 YONVUWWUQWSFQK-SNVBAGLBSA-N 225.282 2.897 0 50 BFAA CC(C)N1CCCN[C@@]1(C)c1ccccc1 71773921 IANOMTUMKSQTDF-CQSZACIVSA-N 218.344 2.563 0 50 BFAA CCOC(=O)[C@@H](C)c1ccc2ncccc2c1 72190332 WEXDXTGMVWYWLX-JTQLQIEISA-N 229.279 2.901 0 50 BFAA CC[C@@H]1C(=O)CCc2ccc(OC)cc21 90415236 IJYWCVPWBNPSIL-NSHDSACASA-N 204.269 2.704 0 50 BFAA in-vitro CC(=O)c1c(-c2ccc(F)cc2)noc1C 90558280 SMNLZIPZXIVDCL-UHFFFAOYSA-N 219.215 2.992 0 50 BFAA in-vitro O=C(O)c1cnc2cccc(Cl)c2c1 91692875 FRHNBZDXRJQHBZ-UHFFFAOYSA-N 207.616 2.586 0 50 BFAA in-vitro CN(C)CCO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 150278805 FFSUJINLERSHGM-MBNYWOFBSA-N 225.376 2.779 0 50 BFAA Cc1c(Br)ccc2c1CC[C@@H]2O 210344489 BXHBHXDSGGXWSH-JTQLQIEISA-N 227.101 2.737 0 50 BFAA CCCO[C@H]1CCC[C@@H](CCCO)C1 238252005 KNCACCCFPLJHEI-RYUDHWBXSA-N 200.322 2.744 0 50 BFAA COC1(CC(=O)Nc2c(C)ccnc2C)CCC1 332494505 UNCQQZMDOYCJFK-UHFFFAOYSA-N 248.326 2.596 0 50 BFAA O=C(Nc1ccc(F)nc1)[C@]12CCCC[C@H]1C2 693229629 KIADMWVFIXPGAY-ZANVPECISA-N 234.274 2.740 0 50 BFAA C[C@@H]1CCC(=O)C[C@@H]1Oc1ccccc1 725362984 WKIIXDFFDFBOQZ-MFKMUULPSA-N 204.269 2.823 0 50 BFAA Cc1ccsc1-c1ccc2nncn2c1 1875321328 DRILKRHRABOQII-UHFFFAOYSA-N 215.281 2.766 0 50 BFAA Cc1cccc(C(=O)N2CCC(C)CC2)c1 245833 HIWIWBZYRVUYPQ-UHFFFAOYSA-N 217.312 2.867 0 50 BFAA Brc1cccc(-c2ccncn2)c1 407457 ZCYZHYXWAFEARM-UHFFFAOYSA-N 235.084 2.906 0 50 BFAA COc1ccc(NC(=O)C2CCCC2)c(OC)c1 995000 UYXRBMNDTGPRCQ-UHFFFAOYSA-N 249.310 2.833 0 50 BFAA CCCCOCCOCCOCCCC 2041048 KZVBBTZJMSWGTK-UHFFFAOYSA-N 218.337 2.636 0 50 BFAA in-vitro O=C(O)Cc1ccc(Cl)cc1C(F)(F)F 2527765 UKSTVTZXWKFMHX-UHFFFAOYSA-N 238.592 2.986 0 50 BFAA C[C@@H]1CN(C)[C@H](C)[C@H]2c3ccccc3N[C@@H]21 3998747 BPLHAAXKXWWSDI-XYHOJCAOSA-N 216.328 2.534 0 50 BFAA CC1(C)C[C@H](NCc2ccc(F)cc2)CCO1 4120585 LSHLORCIQKHXAN-CYBMUJFWSA-N 237.318 2.873 0 50 BFAA CC1(C)CC[C@@H](CCCC(=O)O)C(=O)C1 4797079 LNJXELCPVZIKTE-SECBINFHSA-N 212.289 2.637 0 50 BFAA COc1ccc(C[C@H](CN)c2ccccc2)cc1 5023224 VELZFQMCEACGTF-OAHLLOKOSA-N 241.334 2.980 0 50 BFAA Cc1nc(N(C)C)c2oc3ccccc3c2n1 5216287 ARAPSDUFEVRNJH-UHFFFAOYSA-N 227.267 2.750 0 50 BFAA Cc1cc2n(n1)S[C@@H](Nc1ccccc1)N2 13132462 GRUDNJWCIFKAFB-NSHDSACASA-N 232.312 2.509 0 50 BFAA CCn1ccnc1CN(C)C[C@H]1CC12CCC2 19787462 TZEPCHPLYYCMSB-GFCCVEGCSA-N 233.359 2.525 0 50 BFAA C[C@@H](C[C@@H](C)CO)C(=O)N[C@@H](C)c1ccccc1 34547106 TXYKIWVDOYTMFS-AGIUHOORSA-N 249.354 2.518 0 50 BFAA Cc1ccc(-c2cccc(C(=O)O)n2)cc1F 65347413 SSMDRGRPDSFUDA-UHFFFAOYSA-N 231.226 2.894 0 50 BFAA in-vitro O=Cc1cnc(Cl)cc1C(F)(F)F 95642395 PAGQSJGQXPGESR-UHFFFAOYSA-N 209.554 2.566 0 50 BFAA COC(=O)c1cncc(-c2ccc(C)c(F)c2)c1 97757360 QATIBJZNNJLBQH-UHFFFAOYSA-N 245.253 2.983 0 50 BFAA Cc1cc(C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)no1 104288929 XZTDGTZGCCWLJK-RHYQMDGZSA-N 248.326 2.538 0 50 BFAA O=C(C1[C@@H]2CCCC[C@@H]12)N1CCC(F)(F)CC1 225440436 KXYSIZNLCWFLBM-NXEZZACHSA-N 243.297 2.680 0 50 BFAA Oc1cc(C(F)(F)F)c2ncccc2c1 238717188 DVFYHOOSIBJQLZ-UHFFFAOYSA-N 213.158 2.959 0 50 BFAA C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 248512989 CJMCXIVDFYLRQW-PZWNZHSQSA-N 209.333 2.583 0 50 BFAA Fc1ccc2c([C@H]3CCOC3)c[nH]c2c1 255190291 WFFDVZWPNGKFKX-QMMMGPOBSA-N 205.232 2.811 0 50 BFAA CC(C)Oc1cccc(C(=O)O)c1Cl 307596987 NANUKPNCPFPTCJ-UHFFFAOYSA-N 214.648 2.825 0 50 BFAA CC(C)(C)n1cc(-c2ccoc2C=O)cn1 714287968 BFHJGGRDWPMCBN-UHFFFAOYSA-N 218.256 2.711 0 50 BFAA COc1nccnc1-c1ccc(OC(C)C)cc1 1239957933 HNNKJFOWDYZRRL-UHFFFAOYSA-N 244.294 2.939 0 50 BFAA CC(C)C(=O)OCC=Cc1ccccc1 1857626869 KLKQSZIWHVEARN-UHFFFAOYSA-N 204.269 2.899 0 50 BFAA Cn1ccc(-c2nccn2[C@@H]2C[C@@H]3CC[C@H]2C3)n1 1875243871 BSNSEWKPOWZWHU-NTZNESFSSA-N 242.326 2.645 0 50 BFAA CCC[C@@H](C)C(=O)NCc1ccccc1 30706 GFVPUIVHIRNQGT-LLVKDONJSA-N 205.301 2.739 0 50 BFAA biogenic COC(=O)c1c(-c2ccccc2)csc1N 52966 KHNSKPUYBBZGLW-UHFFFAOYSA-N 233.292 2.784 0 50 BFAA in-vitro CCN(CC)C(=O)Nc1ccc(OC)cc1 134158 CBMMXDCCAANWCD-UHFFFAOYSA-N 222.288 2.569 0 50 BFAA CC(=O)CC(=O)Nc1c(C)cc(C)cc1C 295811 GVBDGMRNGLFNRS-UHFFFAOYSA-N 219.284 2.529 0 50 BFAA in-vitro O=C(NCc1ccncc1)c1ccc(Cl)cc1 315022 WXGSJKCIBYXPSF-UHFFFAOYSA-N 246.697 2.665 0 50 BFAA CN(C)CCC(=O)c1ccc2ccccc2c1 1871391 WZIOJYCFLAYASE-UHFFFAOYSA-N 227.307 2.974 0 50 BFAA CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O 2562543 XVQDXDHZJPGIIN-VIFPVBQESA-N 245.319 2.545 0 50 BFAA CC(=O)O[C@H](C)CC(C)(C)N1CCCCC1 4957716 CYEDXTUSMLTMCZ-LLVKDONJSA-N 227.348 2.593 0 50 BFAA CCOC(=O)c1cc(Br)ccc1C 21303512 NHMJLUHCYZHKMO-UHFFFAOYSA-N 243.100 2.934 0 50 BFAA CC[C@@H](Sc1ccc(Cl)cc1)C(N)=O 30864563 ZCXOQPALMKVZTN-SECBINFHSA-N 229.732 2.696 0 50 BFAA Fc1ccccc1-c1nnc2ccc(Cl)nn12 36903783 LLGBCOHTUHFRBO-UHFFFAOYSA-N 248.648 2.584 0 50 BFAA in-vitro CC1(C)CCC2(OCCO2)[C@]2(C)C[C@@H]2C1 71785988 CDABDQBRUUFCQK-CMPLNLGQSA-N 210.317 2.966 0 50 BFAA CC(C)(C)OC(=O)N[C@@H]1CCC(F)(F)C1 95933008 SCXQXMBCRMLPGO-SSDOTTSWSA-N 221.247 2.699 0 50 BFAA CNCCN(C)CCc1ccc2ccccc2c1 228256948 JMUMNFJOCCBKOP-UHFFFAOYSA-N 242.366 2.534 0 50 BFAA Cc1c(CN2CC[C@@H]2c2cccs2)cnn1C 252483712 FHHNXFDAQXTZDI-GFCCVEGCSA-N 247.367 2.737 0 50 BFAA CC(C)(C)c1ccnc(-n2cccn2)c1 257373243 SOIPESGJSYYVQD-UHFFFAOYSA-N 201.273 2.565 0 50 BFAA Cn1nccc1-c1cc(F)cc2cccnc12 1506420955 CKJJGTOHUWLXRI-UHFFFAOYSA-N 227.242 2.774 0 50 BFAA C1=C[C@H](n2ccnc2-c2cncnc2)CCC1 1875244289 QECCSOBHLZTHRS-LBPRGKRZSA-N 226.283 2.621 0 50 BFAA CC(=O)c1ccc([C@H](C)CCC(=O)O)cc1 271997 DGTNPYOULHICNW-SECBINFHSA-N 220.268 2.858 0 50 BFAA biogenic COc1cccc(NC(=S)NCC(C)C)c1 459132 WDDDNILCRWSEFX-UHFFFAOYSA-N 238.356 2.638 0 50 BFAA CC(=O)N1CCO[C@@H]1C[C@@H](C)CCC=C(C)C 519060 RKYXURFVIOUABL-GXTWGEPZSA-N 239.359 2.964 0 50 BFAA biogenic COc1ccc(OC)c([C@H]2CCCC[C@@H]2O)c1 1715775 IPBLFABLABBHLF-YPMHNXCESA-N 236.311 2.722 0 50 BFAA O[C@H](c1ccccc1)c1ccc(F)cc1 2513755 MZQRXCOFRPWTPC-CYBMUJFWSA-N 202.228 2.907 0 50 BFAA Cc1ccc([C@@H]2NCC[C@@]3(O)CCCC[C@H]23)cc1 4365163 YQDZCQUVNRHELP-PMPSAXMXSA-N 245.366 2.951 0 50 BFAA biogenic CC(C)C(=O)NCc1ccccc1Cl 5726882 SQHPDMWKOSRTGY-UHFFFAOYSA-N 211.692 2.612 0 50 BFAA CCNCCOc1c(C)cc(C)cc1Cl 6703674 SWENFMWDRQTNPI-UHFFFAOYSA-N 227.735 2.945 0 50 BFAA CC(C)[C@H](C(=O)NCc1ccco1)n1cccc1 12137317 CFYUXIPCYMGMMA-CYBMUJFWSA-N 246.310 2.595 0 50 BFAA Clc1n[nH]c2cc(Br)ccc12 14984927 LDBXLSQSRZCYHL-UHFFFAOYSA-N 231.480 2.979 0 50 BFAA in-vitro FC(F)(F)c1ccc(NC[C@H]2CCCO2)nc1 20638733 YUYLJMGMJXZHSV-SECBINFHSA-N 246.232 2.691 0 50 BFAA COC(=O)c1ccccc1SC(C)C 34061837 PYOGZXOVBWKXFK-UHFFFAOYSA-N 210.298 2.974 0 50 BFAA COC(=O)COc1ccc(-c2ccccc2)cc1 54214482 AEMVTGFZGFVODZ-UHFFFAOYSA-N 242.274 2.905 0 50 BFAA CCN(CC)c1ccc(-n2ccnc2)cc1 65503246 JRFPLTOMRMWDBS-UHFFFAOYSA-N 215.300 2.719 0 50 BFAA CC(=O)c1ccc(F)c(CCCn2ccnc2)c1 91624672 VPHRBECNFCFYIJ-UHFFFAOYSA-N 246.285 2.858 0 50 BFAA CC(C)c1nnc(S)n1[C@@H]1C[C@H]2C=C[C@H]1C2 100241750 ZZHGUJIHNDIKSD-LPEHRKFASA-N 235.356 2.827 0 50 BFAA CN(Cc1ccccc1)C[C@@H]1C(=O)[C@H]2CC[C@H]1C2 105115320 BWUZBNNHJQRYEW-KKUMJFAQSA-N 243.350 2.734 0 50 BFAA N[C@@H]1CCCC[C@H]1OCc1cc(F)ccc1F 136332924 IRBCWIBVKKARMS-CHWSQXEVSA-N 241.281 2.751 0 50 BFAA CSc1ccc(CN[C@H](C)C[C@H](C)O)cc1 164465180 SVDQYZAAKNTXJE-MNOVXSKESA-N 239.384 2.658 0 50 BFAA C[C@H](c1ccoc1)N1CCC[C@H](N2CCCC2)C1 170601086 OGFHURSPWBZXCM-HIFRSBDPSA-N 248.370 2.901 0 50 BFAA C[C@H](O)C[C@H](C)CN[C@@H]1CC[C@@H](C)[C@@H](C)C1 195565650 IQXHOTIPBGZYRD-ZUWCUPBKSA-N 227.392 2.808 0 50 BFAA Cn1cccc1C(=O)N(C1CCC1)C1CCC1 253420147 VDTVTAOMFLPYJP-UHFFFAOYSA-N 232.327 2.572 0 50 BFAA O=C1NC[C@H](CSc2ccc(Cl)cc2)O1 298188129 JYQMEDQCTBXANA-MRVPVSSYSA-N 243.715 2.541 0 50 BFAA O=C(N[C@H]1CC=CCC1)[C@@H]1CCC(F)(F)C1 336538157 XEDYOJLVZQBAAH-ZJUUUORDSA-N 229.270 2.647 0 50 BFAA C(=C/C1CCCCC1)\c1cnc2nncn2c1 426574752 BJDQODGDKCUEIT-VOTSOKGWSA-N 228.299 2.718 0 50 BFAA C[C@H]1CCC(=O)C[C@H]1OCC1CCCC1 725363096 XXIPUXAQWDOMNZ-GXFFZTMASA-N 210.317 2.951 0 50 BFAA c1cncc(CCn2ccnc2-c2ccco2)c1 1940194772 OCKHHRTTXKMPTK-UHFFFAOYSA-N 239.278 2.781 0 50 BFAA O=Cc1nc(-c2ccccc2F)n2ccccc12 82213 HQSAAEPJVTYBBO-UHFFFAOYSA-N 240.237 2.953 0 50 BFAA Oc1ccc([C@H]2COc3cc(O)ccc3C2)cc1 388661 ADFCQWZHKCXPAJ-GFCCVEGCSA-N 242.274 2.817 0 50 BFAA endogenous,investigational Cc1nc2sc3c(c2c2ncnn12)CCCC3 535276 WNFSSRDFJCDUAP-UHFFFAOYSA-N 244.323 2.526 0 50 BFAA CCOC(=O)CCC(=O)c1ccc(C)cc1 1687875 LFHSFGIXTQENJM-UHFFFAOYSA-N 220.268 2.521 0 50 BFAA biogenic,in-vitro CCCCOC(=O)CCc1c(C)noc1C 1827962 QUKPLZKIOZHFNB-UHFFFAOYSA-N 225.288 2.567 0 50 BFAA O=C(O)c1csc(Nc2ccccc2)n1 2528918 NFVZOGAQSIUAJP-UHFFFAOYSA-N 220.253 2.585 0 50 BFAA in-vitro N=C(N)SCc1ccc(C(F)(F)F)cc1 4013988 VWGUDKUKGRCKDW-UHFFFAOYSA-N 234.246 2.832 0 50 BFAA in-vitro O=C1CCc2cc(Br)ccc2C1 4202740 BYHKDUFPSJWJDI-UHFFFAOYSA-N 225.085 2.507 0 50 BFAA in-vitro CC(C)NC(=O)c1sccc1Cl 4542617 PYSIRQYZTFITCT-UHFFFAOYSA-N 203.694 2.540 0 50 BFAA CCc1ccc(-n2c(C)n[nH]c2=S)cc1 5823282 UTRPRTZAONVXSZ-UHFFFAOYSA-N 219.313 2.801 0 50 BFAA O=C(O)CCSCc1ccc(F)cc1 6221553 YZLXUAJXYSPKAE-UHFFFAOYSA-N 214.261 2.534 0 50 BFAA in-vitro COC(=O)c1cc(C(F)(F)F)ccc1F 8762650 UAEUYKATVUSDCK-UHFFFAOYSA-N 222.137 2.631 0 50 BFAA in-vitro O=C(O)c1ccc(-c2ccc(CO)cc2)cc1 16947575 KFUFJTLYVMRPLV-UHFFFAOYSA-N 228.247 2.544 0 50 BFAA in-vitro CCNCc1cc(Br)ccc1F 19406419 UBUGKRWECJFDHP-UHFFFAOYSA-N 232.096 2.698 0 50 BFAA in-vitro C[C@@H](c1nc(-c2ccccc2)n[nH]1)n1cccc1 65529363 ZWUZVNJQKSZOET-NSHDSACASA-N 238.294 2.883 0 50 BFAA Cc1ccc(Oc2cccc(F)c2)nn1 147553901 UYSNIAWIXCVLCX-UHFFFAOYSA-N 204.204 2.716 0 50 BFAA CC/C=C/CCN1CCN(CC(C)C)CC1 184389573 HIMVKZWIDJPFNF-AATRIKPKSA-N 224.392 2.616 0 50 BFAA COCc1cccc(Br)c1F 205313109 ZIGGSVOUBSSHBJ-UHFFFAOYSA-N 219.053 2.735 0 50 BFAA CC(C)(C)c1nc(Cl)c2cc[nH]c2n1 238145622 OZTDRUMVTMLRFV-UHFFFAOYSA-N 209.680 2.909 0 50 BFAA in-vitro Cc1cc(Br)cc(F)c1C=O 299805452 OTQPMRUIEAOUTJ-UHFFFAOYSA-N 217.037 2.709 0 50 BFAA in-vitro Cc1cncc(N(C)Cc2sccc2C)n1 334349110 UOVKCROUFHNHJO-UHFFFAOYSA-N 233.340 2.791 0 50 BFAA Cc1n[nH]c(C)c1-c1ccc2c(=O)[nH]ccc2c1 426394457 BDQOSIKLEPBHBS-UHFFFAOYSA-N 239.278 2.535 0 50 BFAA C[C@@H](c1ccccc1)[C@@H](C)NCC1(C(=O)O)CC1 577069538 KGPHEDSSEXBDJB-VXGBXAGGSA-N 247.338 2.633 0 50 BFAA c1csc(-c2nccn2[C@@H]2C[C@H]3OCC[C@H]32)c1 1875251561 VLQPYBYMLVBCEX-HBNTYKKESA-N 246.335 2.962 0 50 BFAA Cc1ccncc1NC(=O)[C@H]1CCC2(CC2)C1 1875306420 FNCISWRYQRGLKF-NSHDSACASA-N 230.311 2.909 0 50 BFAA CC(=O)CC(=O)Nc1ccccc1C(F)(F)F 50085 VATRWWPJWVCZTA-UHFFFAOYSA-N 245.200 2.623 0 50 BFAA in-vitro Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(N)=O 188839 BVIXGGBKDPPGHJ-LBPRGKRZSA-N 243.310 2.522 0 50 BFAA biogenic Cc1sc(NC(=O)C(C)C)c(C(=O)O)c1C 227460 ZERSOEDAIIYKFS-UHFFFAOYSA-N 241.312 2.658 0 50 BFAA O=C(CSc1ccccc1)N1CCCCC1 443732 AALJCIWZQJATKD-UHFFFAOYSA-N 235.352 2.791 0 50 BFAA Cc1ccc(C(F)(F)F)cc1C(=O)O 2382289 STJUSBSLJXOSDU-UHFFFAOYSA-N 204.147 2.712 0 50 BFAA in-vitro CCc1cc(C(=O)Nc2cc(C)on2)cs1 2730554 IFYHTOULVCZSJR-UHFFFAOYSA-N 236.296 2.859 0 50 BFAA Cc1ccc2[nH]c3c(c2c1)CCC[C@@]3(C)C(N)=O 4030553 GFJVQPVBWHGBRJ-OAHLLOKOSA-N 242.322 2.556 0 50 BFAA C[C@H](NC(=O)CCC1CCCC1)[C@H]1CCCO1 6700189 SJULNWDEBXCCME-WCQYABFASA-N 239.359 2.641 0 50 BFAA CC(=O)c1cc(-c2cccc(F)c2)no1 8700504 SIHPOLPKOFXGNA-UHFFFAOYSA-N 205.188 2.683 0 50 BFAA CCOc1ccc(C(=O)NC(C)(C)C)cc1C 13582204 CLKKIGLUDZQOHN-UHFFFAOYSA-N 235.327 2.922 0 50 BFAA Cc1cc(C=O)cc(C)c1Br 21982497 USONNBCBJMNJIU-UHFFFAOYSA-N 213.074 2.878 0 50 BFAA in-vitro Cc1cccc(CN2C[C@@H](C)O[C@H](C)C2)c1 23115018 HPNXLNJSYNWUNL-CHWSQXEVSA-N 219.328 2.604 0 50 BFAA Cc1sc(N)nc1Cc1ccccc1 36379490 OXDAWEKPJGMVRB-UHFFFAOYSA-N 204.298 2.625 0 50 BFAA in-vitro CCc1nc(C)c(Br)s1 65337224 NSXCMCDBNNASAL-UHFFFAOYSA-N 206.108 2.776 0 50 BFAA in-vitro COc1cc(-c2cccc(C(=O)O)n2)ccc1F 65347975 IWZVHUTZMULWDQ-UHFFFAOYSA-N 247.225 2.595 0 50 BFAA in-vitro CC(C)(C)OC(=O)N1Cc2ccccc2C1 82610568 DXECVLLAHDLREE-UHFFFAOYSA-N 219.284 2.937 0 50 BFAA in-vitro CC[C@@H](CO)NCc1ccc(Cl)cc1C 128702910 WQLFTEAMKMPBOI-LBPRGKRZSA-N 227.735 2.509 0 50 BFAA Clc1ccc2c(c1Br)CNCC2 138481964 BRQLHZXZBLALCQ-UHFFFAOYSA-N 246.535 2.748 0 50 BFAA C[C@@H]1CCC[C@@H](C)C1N[C@@H]1C[C@H]2CC[C@H]1O2 246061465 RFTBWBCXCORDQW-SYLRKERUSA-N 223.360 2.721 0 50 BFAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1c1ccccc1 254078445 PWQBPEKAJJSVFH-WUHRBBMRSA-N 214.264 2.677 0 50 BFAA C[C@H]1CCN(C(=O)c2ccoc2)CC12CCC2 271361528 OSPMOKQWRNZERY-NSHDSACASA-N 233.311 2.932 0 50 BFAA CC[C@@H]1CCN1C(=O)C(C)(C)C(C)(F)F 335468269 OZUXDRLXXBARCW-MRVPVSSYSA-N 219.275 2.679 0 50 BFAA c1cc(OCC[C@@H]2CCCO2)c2oncc2c1 408518381 DZWYUWAJFVEVFV-NSHDSACASA-N 233.267 2.776 0 50 BFAA COc1cc(C)cc(OC)c1-c1ccncc1N 426535945 UNTMOGJXHKYKNE-UHFFFAOYSA-N 244.294 2.656 0 50 BFAA Cc1ncccc1CN1CCC[C@H]1c1ccon1 1775999731 WYAMHDAUKDTSAQ-AWEZNQCLSA-N 243.310 2.715 0 50 BFAA COc1ccccc1/C=C/CN1CCSCC1 183393 AMMOMAORSKJZTH-GQCTYLIASA-N 249.379 2.757 0 50 BFAA C[C@H]1CCC[C@H](NCC(C)(C)CN(C)C)C1 280104 FXQSOXZVJSHFRS-STQMWFEESA-N 226.408 2.743 0 50 BFAA O=C(O)[C@H]1CC=CC[C@H]1C(=O)c1ccccc1 323277 JJALHZDTTJJYCI-NEPJUHHUSA-N 230.263 2.536 0 50 BFAA CCN1CCC(N(C)CCc2ccccc2)CC1 756983 IJBQHLTUBIZSDH-UHFFFAOYSA-N 246.398 2.645 0 50 BFAA Nc1ccc(C(=O)OCc2ccccc2)cc1 1661236 DAOPOOMCXJPWPK-UHFFFAOYSA-N 227.263 2.626 0 50 BFAA CCOC(=O)NC(C)(C)CC(C)(C)C 1690302 LKLZMSSRMNNNBH-UHFFFAOYSA-N 201.310 2.947 0 50 BFAA in-vitro CCOC(=O)CCCCC(=O)c1ccccc1 2165423 ODRIXXZKVYCRTE-UHFFFAOYSA-N 234.295 2.993 0 50 BFAA COc1ccccc1OCCCNC(C)(C)C 2900068 OWYULIRGIYSYCE-UHFFFAOYSA-N 237.343 2.852 0 50 BFAA COc1cc(O)cc2c1-c1ccc(O)cc1CC2 14651078 OPPGAHUCKDKQJR-UHFFFAOYSA-N 242.274 2.872 0 50 BFAA biogenic,in-vitro c1ccc(-c2ccc(CNc3nc[nH]n3)o2)cc1 16577386 CJQZBKAMFHCQCU-UHFFFAOYSA-N 240.266 2.677 0 50 BFAA CC(C)(C)OC(=O)NCCCCCCCCO 38525475 ZXNLQLJANDBXLE-UHFFFAOYSA-N 245.363 2.844 0 50 BFAA in-vitro Brc1ccc2c(n1)CCCC2 49585008 GJKJABMIDAWWHX-UHFFFAOYSA-N 212.090 2.723 0 50 BFAA in-vitro O=C1CC[C@H]2C[C@@]34C=CC[C@@H]3CC[C@H]4[C@@H]12 71786402 MENZPSVQOFUHIH-WTNWGCMGSA-N 202.297 2.958 0 50 BFAA CCOC(=O)c1cc(O)c2sccc2c1 90470638 VYOHBZNTQBTZPN-UHFFFAOYSA-N 222.265 2.784 0 50 BFAA FC(F)(F)Oc1ncccc1Br 102198625 PRYCOFLBUSTFMV-UHFFFAOYSA-N 241.994 2.743 0 50 BFAA Cc1cnn([C@@H]2CCCCO2)c1Br 238494704 CICXLSGHZGLVQY-QMMMGPOBSA-N 245.120 2.653 0 50 BFAA C[C@@H]1CCCN(c2ncnc3[nH]ccc23)CC1 339131274 BXGCKOYEWXJHDH-SNVBAGLBSA-N 230.315 2.584 0 50 BFAA COCc1cccc(-c2cccc(C(=O)O)c2)n1 649381459 VQCVGERTDCJKGQ-UHFFFAOYSA-N 243.262 2.593 0 50 BFAA CCNCc1cc(-c2ccc(F)cc2C)n[nH]1 725264686 IYTCWYHEFNMAGH-UHFFFAOYSA-N 233.290 2.634 0 50 BFAA FC[C@@H]1CCCN(CCc2ccccc2)C1 880234633 KDEIDCDAUAINFV-AWEZNQCLSA-N 221.319 2.911 0 50 BFAA CN(CCCC1CCCC1)CCc1nccn1C 1772803902 SPDBRGQWXYNVQY-UHFFFAOYSA-N 249.402 2.865 0 50 BFAA Clc1ccc(C2[N@@]3CCCC[N@]23)cc1 1857524873 HBAJHOSTAJJISF-ZIAGYGMSSA-N 208.692 2.665 0 50 BFAA Cn1cnnc1SCc1ccccc1Cl 273625 YGBIVQXAFLJZBS-UHFFFAOYSA-N 239.731 2.761 0 50 BFAA C/C=C/c1ccc(OC)c(OC(C)=O)c1 301371 FTGNSPFKDDNURH-SNAWJCMRSA-N 206.241 2.654 0 50 BFAA biogenic COc1cc(N)ccc1NC(=O)C1CCCCC1 874519 AUFCZEZTTPWDSP-UHFFFAOYSA-N 248.326 2.796 0 50 BFAA O=C(c1ccc(Cl)s1)N1CCCC1 1056234 PQQRAZVQJFLFAU-UHFFFAOYSA-N 215.705 2.638 0 50 BFAA O=C(NC1CC1)c1c(Cl)cccc1Cl 2767451 QGIKFJSEYLYLPK-UHFFFAOYSA-N 230.094 2.886 0 50 BFAA CN1C(=O)O[C@@]2(C)CCc3ccccc3[C@@]12C 3958389 CTDWXPWFRVKRSF-UONOGXRCSA-N 231.295 2.689 0 50 BFAA O=C(Nc1cc(F)cc(F)c1)c1ccco1 4814499 RDCGZWVILBNZMR-UHFFFAOYSA-N 223.178 2.810 0 50 BFAA COC(=O)c1ccc(Oc2ccccc2N)cc1 14629167 WUELUEATXCULFK-UHFFFAOYSA-N 243.262 2.848 0 50 BFAA S=C1NC2(CCCCC2)NN1c1ccccc1 18094189 MUADWFSXXPVRAV-UHFFFAOYSA-N 247.367 2.546 0 50 BFAA CC(C)c1ccc(OCCN2CCOCC2)cc1 19770552 WLMZTZLKKJPZHN-UHFFFAOYSA-N 249.354 2.521 0 50 BFAA COc1ccc(F)c(-c2c[nH]c(C)n2)c1 32590480 ZIGRAAIIIMJASZ-UHFFFAOYSA-N 206.220 2.533 0 50 BFAA CCCN1C(=O)Cc2cc(Cl)ccc21 71773863 DMXXLWJBNJKKKP-UHFFFAOYSA-N 209.676 2.639 0 50 BFAA Nc1c(O)cc(C(F)(F)F)cc1Cl 98086098 QAYYMTPVSQHMCJ-UHFFFAOYSA-N 211.570 2.647 0 50 BFAA Oc1c2c(nn1-c1ccc(F)cc1)CCCC2 100021539 RFQOIJOCTAHDQI-UHFFFAOYSA-N 232.258 2.596 0 50 BFAA Cc1cc(F)c(C#N)c(Br)c1 144325137 PJOQEUIUVFQKKD-UHFFFAOYSA-N 214.037 2.768 0 50 BFAA Cc1[nH]ccc1C(=O)N1CC[C@@H](C)C[C@@H](C)C1 163142224 UWFKFOUCJKSKRU-GHMZBOCLSA-N 234.343 2.831 0 50 BFAA FC(F)(F)c1ccnc(N2CCSC2)c1 169725710 GLLYBQDBKZYZRM-UHFFFAOYSA-N 234.246 2.611 0 50 BFAA CC(=O)Nc1ccc(OCc2ncc(C)o2)cc1 174072066 AALMTQFJPTZTFB-UHFFFAOYSA-N 246.266 2.520 0 50 BFAA COc1cccc(OC)c1[C@@H](O)c1ccc(C)o1 228229383 UOQFLEJYVCDAAW-AWEZNQCLSA-N 248.278 2.687 0 50 BFAA Cc1cnn(CCN(C)[C@@H]2CCCC[C@H]2C)c1 253416661 DGAOYZRZPUGCPK-ZIAGYGMSSA-N 235.375 2.702 0 50 BFAA O=C(c1ccsc1)N1CCC(CF)CC1 296031985 WEEFQFJRYKPEIX-UHFFFAOYSA-N 227.304 2.570 0 50 BFAA CCC1(CNc2nccc(N(C)C)n2)CCC1 301744967 GTGZYTQYJHWUOS-UHFFFAOYSA-N 234.347 2.535 0 50 BFAA CCC1(NCc2c3c(nn2C)CCCC3)CCC1 631084825 ZFQRVZWVSDTISI-UHFFFAOYSA-N 247.386 2.721 0 50 BFAA NCC1CC2(C1)CC1(CC(F)(F)C1)C2 1857782082 MRQNCCZDOIKKNV-UHFFFAOYSA-N 201.260 2.551 0 50 BFAA Cn1nccc1-c1ocnc1Cc1ccccc1 2356143132 WDBJLNQUSBDUJM-UHFFFAOYSA-N 239.278 2.666 0 50 BFAA Cc1ccccc1CN(C)C1CCN(C)CC1 239455 NHGQRIDAQKEAHI-UHFFFAOYSA-N 232.371 2.521 0 50 BFAA COc1ccc2c(c1)c1c3n2CCN[C@H]3CCC1 245305 NJXIYXLRLVISPD-ZDUSSCGKSA-N 242.322 2.631 0 50 BFAA biogenic C[C@@H]1C[C@H]1C(=O)Nc1cc(F)ccc1F 372134 FQBRESKKJAUMQD-HTRCEHHLSA-N 211.211 2.559 0 50 BFAA Cc1ccccc1NC(=O)NCc1ccccn1 480148 OHNYGZBRLOVACF-UHFFFAOYSA-N 241.294 2.712 0 50 BFAA CCNC(=O)CCSc1ccc(C)cc1 571979 OMIXXJFCWJYTFP-UHFFFAOYSA-N 223.341 2.613 0 50 BFAA O=C(c1ccc(O)cc1O)C1CCCCC1 5568248 WQRKAVYOYRBICK-UHFFFAOYSA-N 220.268 2.861 0 50 BFAA Cc1ccc(NC(=O)c2ccc(=O)oc2)cc1C 15800186 FKFHHVQAXHEXBY-UHFFFAOYSA-N 243.262 2.509 0 50 BFAA CC(=O)c1ccc(O[C@H]2CCCCO2)cc1 26522378 FOSIJJWHNJBMAA-ZDUSSCGKSA-N 220.268 2.795 0 50 BFAA COc1cc(Br)ccc1C 28278329 RAQYGVDRDNKTOM-UHFFFAOYSA-N 201.063 2.766 0 50 BFAA in-vitro Clc1ccc(Nc2ncccn2)cc1 41090767 YPUAFOARVDJZIY-UHFFFAOYSA-N 205.648 2.874 0 50 BFAA Cc1ccnc(NC(=O)c2ccccc2Cl)n1 43191284 LMBNKPPOTPILKF-UHFFFAOYSA-N 247.685 2.691 0 50 BFAA Cc1cccnc1-c1ccnn1C(C)C 95495982 PYRFXAWSDVDVEG-UHFFFAOYSA-N 201.273 2.834 0 50 BFAA in-vitro CCCCNC[C@H]1CCc2ccccc2C1=O 96026770 QEFOJXJATBWTAB-CYBMUJFWSA-N 231.339 2.821 0 50 BFAA CC(C)(C)OC(=O)N[C@H]1CCc2ccc(N)cc21 139934292 CLHXLEGKJBLKFP-LBPRGKRZSA-N 248.326 2.781 0 50 BFAA O=C(O)CC(F)(F)c1ccc(Cl)cc1 215833869 WIFIVDIRPJKPRY-UHFFFAOYSA-N 220.602 2.907 0 50 BFAA O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1ccccn1 302222138 MWCLCNIVCHYQNV-SRVKXCTJSA-N 230.311 2.846 0 50 BFAA C[C@H]1CCC(=O)C[C@H]1N1CCCCCC1 725363024 XYTMNSGSLKSQCC-WCQYABFASA-N 209.333 2.620 0 50 BFAA FCC12CC(CN1Cc1ccccc1)C2 1775997022 QSCXXGZQKPVLBU-UHFFFAOYSA-N 205.276 2.621 0 50 BFAA C=CC(=O)Nc1cccc2c1[C@H]1CC[C@H]2O1 1776000147 CQWFEIFDUQMVCL-GHMZBOCLSA-N 215.252 2.717 0 50 BFAA O=C(CCc1ccccc1)C1(O)CCCCC1 229938 JNPMKVGVKUKYRV-UHFFFAOYSA-N 232.323 2.884 0 50 BFAA in-vitro NNc1ccccc1OCc1ccccc1 2505847 JTJXTSWJTRMFAO-UHFFFAOYSA-N 214.268 2.551 0 50 BFAA in-vitro CC(C)CCOC(=O)c1ccc(O)cc1 2566166 KSHVDKDQYBNSAN-UHFFFAOYSA-N 208.257 2.595 0 50 BFAA in-vitro CN(C)c1cccc([C@@H]2CCCCCN2)c1 3734944 JESJGFZMYSWOAH-AWEZNQCLSA-N 218.344 2.957 0 50 BFAA C/C(=C\c1ccccc1)CN1CCCC[C@H]1CO 4987673 MLOARWAEWHMZBV-UKYUDJEDSA-N 245.366 2.937 0 50 BFAA COc1ccc([C@H](CCN)C(C)C)cc1 5048168 STWWBPVSVFVMIZ-CYBMUJFWSA-N 207.317 2.784 0 50 BFAA CCOC(=O)COc1cccc(C(F)(F)F)c1 6655598 LEKNNERDFCDITP-UHFFFAOYSA-N 248.200 2.647 0 50 BFAA CC[C@H](C)Oc1ccc(NC(C)=O)cc1 10470257 ZCQCUCIDQQCYIT-VIFPVBQESA-N 207.273 2.822 0 50 BFAA Cc1cc(C)cc(C(=O)Nc2ccccn2)c1 11535859 YLFHLZGEJZCQBW-UHFFFAOYSA-N 226.279 2.951 0 50 BFAA COc1ccc(Nc2cc(C)ncn2)c(OC)c1 11902778 XODXTYUMFGSSBS-UHFFFAOYSA-N 245.282 2.546 0 50 BFAA CC[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(F)cc1 14397479 UPBPRMPBCDHILN-NXEZZACHSA-N 239.290 2.508 0 50 BFAA Brc1ccc2ccncc2c1 14982275 KABRXLINDSPGDF-UHFFFAOYSA-N 208.058 2.997 0 50 BFAA in-vitro COc1ccc(CN[C@H]2CC[C@@H](C)C2)cc1 23280201 YCQVBVSPOWIZHQ-YPMHNXCESA-N 219.328 2.973 0 50 BFAA COc1ccc(-c2ccnc3ccnn23)c(F)c1 32095618 AVOYOTOYULFUDG-UHFFFAOYSA-N 243.241 2.544 0 50 BFAA Cc1ccc(-n2ncc3c2CCC[C@@H]3N)cc1C 47218876 XGTYWTRYVPDMEJ-AWEZNQCLSA-N 241.338 2.825 0 50 BFAA CCC(=O)[C@H]1Cc2cc(Cl)ccc2C1=O 127691390 BJGUNCPFPCYGGO-SNVBAGLBSA-N 222.671 2.674 0 50 BFAA COc1cccc(-c2ccc(C=O)o2)c1OC 150202556 KHOWDBMEOLUITC-UHFFFAOYSA-N 232.235 2.776 0 50 BFAA C[C@]1(C(=O)O)CCCc2c(F)cccc21 220063987 DFHBRMBAMWSJJO-LBPRGKRZSA-N 208.232 2.504 0 50 BFAA CCCOC(=O)Cc1ccc(Cl)nc1C 253417001 UPAOTUXLUQUOSB-UHFFFAOYSA-N 227.691 2.539 0 50 BFAA COC(=O)Cc1c(Cl)cc(F)cc1Cl 263624542 RJTJLYXJPAETDQ-UHFFFAOYSA-N 237.057 2.848 0 50 BFAA CCc1nc(Cl)cc(C(F)(F)F)n1 307612870 LAWNIHGKWJELMH-UHFFFAOYSA-N 210.586 2.711 0 50 BFAA C[C@H]1CCN(C(=O)C2=CC(C)(C)C2)CCS1 1615587019 UGUUXAUVRGHSPR-JTQLQIEISA-N 239.384 2.697 0 50 BFAA CCOc1ccc(C(=O)N2CCC[C@H](C)C2)cc1 29963 XJNLLSORCZJKTE-LBPRGKRZSA-N 247.338 2.957 0 50 BFAA COc1ccc(CNc2nccs2)cc1 287659 YEBFQWDWWRXAOH-UHFFFAOYSA-N 220.297 2.764 0 50 BFAA in-vitro CCNC(=S)Nc1ccc(F)c(Cl)c1 615961 IGFJOOUDIAHLKV-UHFFFAOYSA-N 232.711 2.785 0 50 BFAA COc1ccc(-c2cccc(CC(=O)O)c2)cc1 1259576 VDSFTORZALGAEI-UHFFFAOYSA-N 242.274 2.989 0 50 BFAA CCC(C)(C)c1nnc(NC(=O)C(C)C)s1 2789158 AUFZRPYATCKTNX-UHFFFAOYSA-N 241.360 2.820 0 50 BFAA C=COCCNC(=O)Nc1cccc(Cl)c1 2983239 BIXFRJQGTPHRPT-UHFFFAOYSA-N 240.690 2.622 0 50 BFAA C[C@H]1CCCN(Cn2cnc3ccccc32)C1 3623175 IKXMHSUGZWDQCW-LBPRGKRZSA-N 229.327 2.726 0 50 BFAA CN(C)CCC(=O)C12CC3CC(CC(C3)C1)C2 4006978 ICSQVOCOKJTKNF-UHFFFAOYSA-N 235.371 2.724 0 50 BFAA Cc1cccc(OCc2c(C(=O)O)noc2C)c1 6658332 QOGZKUGXXHRAGJ-UHFFFAOYSA-N 247.250 2.569 0 50 BFAA CCOc1ccc(NC(=O)Nc2ccon2)cc1 6698752 GIHDMQMFIXBPEL-UHFFFAOYSA-N 247.254 2.717 0 50 BFAA O=C(O)c1cc(Cl)c(F)c(Cl)c1 16158589 CRRHVMZOOBWYRG-UHFFFAOYSA-N 209.003 2.831 0 50 BFAA in-vitro CN1Cc2c(N)cccc2[C@@H](c2ccccc2)C1 19796035 XXPANQJNYNUNES-CQSZACIVSA-N 238.334 2.846 0 50 BFAA world O=C(O)c1ccc(F)c(Cl)c1Cl 38524124 KPFXMYOQAANDKH-UHFFFAOYSA-N 209.003 2.831 0 50 BFAA c1cc2cc(-c3nc(C4CC4)n[nH]3)ccc2[nH]1 67974894 LMKFLDPRTPZWLW-UHFFFAOYSA-N 224.267 2.830 0 50 BFAA Cc1cccc(Nc2nc(C)cc(C(=O)O)n2)c1 72240752 SXDFELWRGHLPJO-UHFFFAOYSA-N 243.266 2.535 0 50 BFAA Cc1cc(Br)cnc1NCC1CC1 86707191 SOVSHZURSLVCAK-UHFFFAOYSA-N 241.132 2.974 0 50 BFAA Cc1cccc(C(=O)[C@@H](C)N2CCCC2)c1 95705031 BYYSWQHJMWVSGB-GFCCVEGCSA-N 217.312 2.662 0 50 BFAA in-vitro CCOC(=O)c1nc2ccc(Cl)nc2s1 116798939 WTPAWQQJCMEFFG-UHFFFAOYSA-N 242.687 2.521 0 50 BFAA O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)c1cccc(F)c1 225268576 ZWRYVQGTGWLIQN-OUJBWJOFSA-N 233.286 2.744 0 50 BFAA COc1ccc2c(c1)[C@@H]1[C@H]3[C@@H]4[C@@H]5[C@@H]1[C@@H]5[C@H]2[C@@H]34 257358941 XLLZTEORNJNOQZ-OIQCACHKSA-N 210.276 2.628 0 50 BFAA O=C(O)[C@@]12CCCC[C@H]1CC(F)(F)C2 257820435 DDOHHAIDKXLPNH-IONNQARKSA-N 204.216 2.677 0 50 BFAA CC(C)N(C)C(=O)[C@H]1CCCC(F)(F)C1 334358470 SRPWHWUYPFPSKE-VIFPVBQESA-N 219.275 2.679 0 50 BFAA C[C@@H]1CCc2c(O)nc(-c3ccccc3)nc21 1776004719 VRLXPTSUSFJZQP-SECBINFHSA-N 226.279 2.899 0 50 BFAA c1ccc(-c2nccn2CCc2cc[nH]n2)cc1 1875243854 AZEUBCFSBJFJRW-UHFFFAOYSA-N 238.294 2.516 0 50 BFAA O=C(/C=C/c1ccc(F)cc1)Nc1ccccn1 35235 BPJGFFDQQBQVCF-RMKNXTFCSA-N 242.253 2.873 0 50 BFAA COc1cc2ccccc2cc1C(=O)O 291443 RTBQQRFTCVDODF-UHFFFAOYSA-N 202.209 2.547 0 50 BFAA COc1ccc(CNC(=O)C2CCCC2)cc1 375384 ZYUUTRPXZHRTBC-UHFFFAOYSA-N 233.311 2.502 0 50 BFAA COc1ccc(C(=O)Nc2nc(C)cs2)cc1 1200710 NBVYGSRARYTPCT-UHFFFAOYSA-N 248.307 2.712 0 50 BFAA CSc1nnc2c(n1)[nH]c1ccc(C)cc12 2473146 UFTFARHCLRKBDJ-UHFFFAOYSA-N 230.296 2.536 0 50 BFAA O=C(O)c1cccc(-c2ccc3c(c2)OCO3)c1 2581016 KMYXCUZMLVHANR-UHFFFAOYSA-N 242.230 2.781 0 50 BFAA CCOc1ccc(OCCCCN(C)C)cc1 2823288 RQUHCCOOOAULNU-UHFFFAOYSA-N 237.343 2.806 0 50 BFAA CCCOc1ccc(C(=O)CCN(C)C)cc1 3108552 LJBJLFRLEUJYBD-UHFFFAOYSA-N 235.327 2.610 0 50 BFAA O=C1CCc2cccc(Br)c2C1 4202739 RWEVGLMABSFMKW-UHFFFAOYSA-N 225.085 2.507 0 50 BFAA in-vitro CCC(=O)N[C@@H](C)c1ccc(Cl)cc1 4656414 YCGUYIHFXOEXAP-QMMMGPOBSA-N 211.692 2.927 0 50 BFAA O=C(O)CC[C@@H]1CCc2ccccc2C1 4825602 UXSTWPJLEBGWSJ-JTQLQIEISA-N 204.269 2.656 0 50 BFAA Cc1ccc(O)c(NC(=O)c2ccccc2)c1 7078876 NPRCXSMNRVGHSK-UHFFFAOYSA-N 227.263 2.953 0 50 BFAA COc1ccc2sc(C(=O)O)cc2c1 13529957 CSMSEXYPAWBSCB-UHFFFAOYSA-N 208.238 2.608 0 50 BFAA in-vitro Cc1cc(C)c2ccc(C(=O)O)cc2n1 14987594 IWKCHSWYNHEKGB-UHFFFAOYSA-N 201.225 2.550 0 50 BFAA in-vitro Nc1cc(C(F)(F)F)c2ccccc2n1 38283844 UNRQZWDGGRFKTL-UHFFFAOYSA-N 212.174 2.836 0 50 BFAA CCOC(=O)c1cc(-c2ccccc2C)n[nH]1 71978734 NUALAQVRUYQGTO-UHFFFAOYSA-N 230.267 2.562 0 50 BFAA in-vitro COc1cc(Nc2ccc(Cl)cc2)ncn1 95099731 KJTZHFVQNJLJQW-UHFFFAOYSA-N 235.674 2.882 0 50 BFAA CCOC(=O)C1(CC2CC2)SCCCS1 113147371 RDUGFSAQGVRWPZ-UHFFFAOYSA-N 246.397 2.916 0 50 BFAA CCC(=Cc1nc([C@@H]2CCOC2)no1)CC 119363379 QVHAIKUEJOQYLX-SNVBAGLBSA-N 222.288 2.777 0 50 BFAA O=C(NCCc1ccccc1F)C1=CCCCC1 125370284 SCNZLWWVOUIDOH-UHFFFAOYSA-N 247.313 2.985 0 50 BFAA CC(C)(C)CCN[C@H]1CC[C@H](CO)CC1 188127197 BMONBDLCSWRHDY-TXEJJXNPSA-N 213.365 2.563 0 50 BFAA OCc1cc2c(Br)cncc2s1 202096647 KDASDVVLOLIUDT-UHFFFAOYSA-N 244.113 2.551 0 50 BFAA Fc1cnc(Br)c(OC(F)F)c1 263624000 MMZFVXVEHHFQDO-UHFFFAOYSA-N 241.994 2.585 0 50 BFAA C[C@H]1CN(c2ncnc3[nH]ccc23)CC(C)(C)C1 343488939 ZJIPXHPROJDIRE-SNVBAGLBSA-N 244.342 2.830 0 50 BFAA C[C@H](O)c1ccc(F)cc1N1CCCCC1 669369596 BSPDWGQBTZBROG-JTQLQIEISA-N 223.291 2.869 0 50 BFAA Cc1noc([C@@H]2[C@H]3CC[C@@]2(c2cccnc2)C3)n1 1875330208 SCYXWWVRWIIVEQ-JKOKRWQUSA-N 241.294 2.608 0 50 BFAA Cc1occc1-c1nc(-c2cccnc2)no1 341367 WLGDBGWOBCRXEI-UHFFFAOYSA-N 227.223 2.700 0 50 BFAA O=C(OCCc1ccccc1)c1ccccc1O 397608 YNMSDIQQNIRGDP-UHFFFAOYSA-N 242.274 2.792 0 50 BFAA endogenous,in-man CCOC(=O)[C@H](C(=O)c1ccccc1)C(C)C 1719207 MYNNDDSZHBOSOL-LBPRGKRZSA-N 234.295 2.705 0 50 BFAA CC[C@@H](Oc1cccc(C(F)(F)F)c1)C(=O)O 2526138 HDTBFPIWBVTQGT-SECBINFHSA-N 248.200 2.947 0 50 BFAA CCOC(=O)c1ccc(-c2csc(N)n2)cc1 2574045 ZRQYVQKHYUPKST-UHFFFAOYSA-N 248.307 2.569 0 50 BFAA CC[C@@H](C)NC(=O)N1CCc2ccccc2C1 13746226 UMBNFGJDEDHZCD-LLVKDONJSA-N 232.327 2.553 0 50 BFAA c1ccc(CCNCc2ccco2)cc1 19721125 PAZJDKKSVLFGPT-UHFFFAOYSA-N 201.269 2.612 0 50 BFAA in-vitro CC(C)(C)OC(=O)N1CCCc2ccc(N)cc21 40448609 LXBMKZNMZATOSI-UHFFFAOYSA-N 248.326 2.957 0 50 BFAA in-vitro Cc1cccnc1-c1ccnc2c1ccn2C 72131997 WPWSLRKRNJYVOP-UHFFFAOYSA-N 223.279 2.944 0 50 BFAA CC(=O)[C@@H]1CC=C(Br)CC1 85483017 MFZYGUCXBQSIAS-SSDOTTSWSA-N 203.079 2.654 0 50 BFAA in-vitro C1CNC[C@@H](COC23CC4CC(CC(C4)C2)C3)C1 96027790 MSARYNFMLLSRJM-AXQFOSQISA-N 249.398 2.971 0 50 BFAA O=C(Cc1ccoc1)Nc1ccccc1F 163620997 UCSIFUVGYZOIDY-UHFFFAOYSA-N 219.215 2.600 0 50 BFAA CC[C@@H](C)[C@H](C)Nc1ccc2c(c1)C(=O)NC2 170592622 YIQWXTNPQVPNDK-ZJUUUORDSA-N 232.327 2.777 0 50 BFAA CCCCCCN(C)[C@H](C)Cc1cnccn1 216360935 JLRKWNGNHMVZSM-CYBMUJFWSA-N 235.375 2.920 0 50 BFAA CC(C)C(=O)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 250685201 DOXNXXJZUSALRE-RXGFPQBGSA-N 221.344 2.583 0 50 BFAA NCC1(Cc2ccccc2C(F)(F)F)CC1 258201805 KGSYEYDHAKXJII-UHFFFAOYSA-N 229.245 2.987 0 50 BFAA Cc1nccc(NCCCOC2CCCC2)n1 266398778 PAVUFKULFRUGLL-UHFFFAOYSA-N 235.331 2.546 0 50 BFAA FC1(F)CC(CSc2ncccn2)C1 294995548 QVTBZUPNNZRXHS-UHFFFAOYSA-N 216.256 2.614 0 50 BFAA C[C@@H](O)c1cccc(-c2cccc(N(C)C)c2)n1 426701404 KJBLQONGYCMVHM-LLVKDONJSA-N 242.322 2.868 0 50 BFAA O=Cc1c(F)cccc1-c1ccc(C(=O)O)o1 725260951 AUAJIJDDQJPUCK-UHFFFAOYSA-N 234.182 2.596 0 50 BFAA CCC(C)(C)[C@@H]1CCC(=O)C[C@H]1N(C)C 725359774 GTFINJHJLQJGPZ-VXGBXAGGSA-N 211.349 2.722 0 50 BFAA COC(=O)/C=C(/C)c1ccc(F)cc1C 757192760 UCGOHAVWWFQYFN-CLFYSBASSA-N 208.232 2.710 0 50 BFAA c1ccc2c(N=c3cc[nH]cc3)nccc2c1 1173879204 LBWIWLZGXNDIHB-UHFFFAOYSA-N 221.263 2.795 0 50 BFAA CO[C@@H](C)c1ccc(-c2cc(O)ncn2)cc1 1506420204 YEPGEMHYNZGSDG-VIFPVBQESA-N 230.267 2.557 0 50 BFAA COc1c(N)ccnc1-c1ccc(C)c(F)c1 1506425614 MKXCAGFJQOGTMX-UHFFFAOYSA-N 232.258 2.787 0 50 BFAA CCN1C(=O)N[C@H]2C[C@@]1(C)Oc1cc(C)ccc12 1615612714 LQLHIXOQCYFEER-SMDDNHRTSA-N 246.310 2.580 0 50 BFAA O=C(NCc1ccccc1)NCc1ccccc1 84096 KATOLVAXCGIBLO-UHFFFAOYSA-N 240.306 2.686 0 50 BFAA biogenic,in-vivo Fc1ccc(-c2nc(-c3cccnc3)no2)cc1 238235 WZPIGDJATCAREO-UHFFFAOYSA-N 241.225 2.938 0 50 BFAA COc1ccc(NC(=S)NCC(C)C)cc1 452307 ISPQOBDBIJEZFX-UHFFFAOYSA-N 238.356 2.638 0 50 BFAA COc1ccc(OCCCNC(C)(C)C)cc1 2900942 PEVMDYDODJHPIR-UHFFFAOYSA-N 237.343 2.852 0 50 BFAA CCC[C@H](NCC)C(=O)c1ccc(C)cc1 3631195 IKIANZXWCBSIGA-ZDUSSCGKSA-N 219.328 2.956 0 50 BFAA in-vitro CCCCN(C)Cc1ccc(C(=O)OC)cc1 3680971 DUXXMECVOHQCGR-UHFFFAOYSA-N 235.327 2.705 0 50 BFAA COc1ccc(C(C)(C)C)cc1CC(=O)O 3750739 DFEVDBGKOHNKHI-UHFFFAOYSA-N 222.284 2.620 0 50 BFAA in-vitro COc1cccc(-c2ccc(CO)cc2)c1 4204278 IJIHRRZFDGSFOQ-UHFFFAOYSA-N 214.264 2.855 0 50 BFAA in-vitro CCc1cccc(OCCCn2ccnc2)c1 6343525 BYKIMFCYYYKRPG-UHFFFAOYSA-N 230.311 2.915 0 50 BFAA Cc1cc(=O)c2c(Cl)ccc(C)c2[nH]1 8616812 PCKJRUQECXKAOB-UHFFFAOYSA-N 207.660 2.798 0 50 BFAA in-vitro CCC(=O)Nc1cccc(N2CCCC2)c1 20499605 MVQJSTAZLGEGMP-UHFFFAOYSA-N 218.300 2.635 0 50 BFAA COc1ccc(-c2cccc3[nH]ccc23)nn1 67587517 RIDBNEFYQFCBRM-UHFFFAOYSA-N 225.251 2.634 0 50 BFAA O=c1nc(Cl)cc(Cl)n1-c1ccccc1 71782123 OQPLEQVMWQSUFG-UHFFFAOYSA-N 241.077 2.539 0 50 BFAA CCc1cnc(C)nc1N1C[C@H]2CC=CC[C@H]2C1 72123940 SHAXURWKACUFLH-OKILXGFUSA-N 243.354 2.750 0 50 BFAA Cc1cc(-c2csc3ccccc23)c(=O)[nH]n1 96133713 WLDJRKXLHDOVOG-UHFFFAOYSA-N 242.303 2.960 0 50 BFAA CC1(C)CCN(Cc2nc(C3CCCC3)no2)C1 154689572 KHEASPYTVIACPA-UHFFFAOYSA-N 249.358 2.959 0 50 BFAA O[C@@H]1CC2(CCC2)Oc2ccc(F)cc21 160725525 XRGAWTNNXFFOEX-SNVBAGLBSA-N 208.232 2.564 0 50 BFAA O=c1[nH]cc(Cl)cc1OCc1ccccc1 169199277 JQOUDNYLILRGDJ-UHFFFAOYSA-N 235.670 2.607 0 50 BFAA CCC[C@H]1CCCN(C(=O)c2cccc(N)c2)C1 178615415 AIQGLKUUFQBFFD-LBPRGKRZSA-N 246.354 2.921 0 50 BFAA COc1ccc(-c2cc3cccnc3[nH]2)cn1 222929114 JPSKWCLITQZGME-UHFFFAOYSA-N 225.251 2.634 0 50 BFAA C[C@@H]1CN(c2ncnc3[nH]ccc23)CC(C)(C)C1 343488938 ZJIPXHPROJDIRE-JTQLQIEISA-N 244.342 2.830 0 50 BFAA C1C[C@H](c2noc(C[C@@H]3C[C@H]4CC[C@H]3C4)n2)CO1 347643593 AOUICCJJOYKRGJ-BJDJZHNGSA-N 248.326 2.552 0 50 BFAA CC(C)c1cccc([C@@H](C)NCCC(=O)O)c1 1776004808 YAPFVDBTEXXVEL-LLVKDONJSA-N 235.327 2.935 0 50 BFAA Cc1cccc(CN(C)C2CCN(C)CC2)c1 236790 NBLGRGYUWNQNTE-UHFFFAOYSA-N 232.371 2.521 0 50 BFAA Cc1ccccc1-n1c(C)n[nH]c1=S 779875 ONIPXWYCMCDLMP-UHFFFAOYSA-N 205.286 2.547 0 50 BFAA in-vitro C[C@H](Oc1ccc(Cl)cc1)c1ccnc(N)n1 1399905 WOLAWBYIEFHDQW-QMMMGPOBSA-N 249.701 2.852 0 50 BFAA OCCCNc1ccnc2cc(Cl)ccc12 1629356 MCVPFDOUKZBWJF-UHFFFAOYSA-N 236.702 2.683 0 50 BFAA biogenic COC(=O)c1cc(OC)c2ccccc2c1OC 2544775 YCLPKVULIDNCMN-UHFFFAOYSA-N 246.262 2.644 0 50 BFAA Brc1ccc(Br)o1 2556781 LACYYWKMIJOHLU-UHFFFAOYSA-N 225.867 2.805 0 50 BFAA in-vitro Cc1cc2nc(C(F)F)cc(C(F)F)n2n1 2744073 FETWPXACVLGUAA-UHFFFAOYSA-N 233.168 2.913 0 50 BFAA CC(C)NC(=O)NC12CC3CC(CC(C3)C1)C2 3897138 MVNJEUHILQOLJQ-UHFFFAOYSA-N 236.359 2.663 0 50 BFAA Cc1nc([C@H](C(=O)O)c2ccccc2)cs1 4840165 NZZPQODMRIZZFI-LLVKDONJSA-N 233.292 2.668 0 50 BFAA CCC(CC)C(=O)Nc1ccc(C(=O)O)cc1 7260761 PURUEQNIYXFNAH-UHFFFAOYSA-N 235.283 2.760 0 50 BFAA CC(C)(C)c1ccccc1OCC(=O)NC1CC1 8041424 CMLYJCZAWBRSMY-UHFFFAOYSA-N 247.338 2.642 0 50 BFAA CCNC(=O)CCc1ccc(C(C)C)cc1 10327859 RAVOCNYDZMQUQM-UHFFFAOYSA-N 219.328 2.879 0 50 BFAA CCc1ccc(/C=C2\SC(=O)NC2=O)cc1 12341773 DZPOUCQZRNTFFR-YFHOEESVSA-N 233.292 2.573 0 50 BFAA Brc1cnn(C2CCCC2)c1 38074758 DDMLTVXCHRGCFK-UHFFFAOYSA-N 215.094 2.761 0 50 BFAA in-vitro Cc1cc(Br)c(F)c(C=O)c1 65337046 UWXZGMZIJCSQAE-UHFFFAOYSA-N 217.037 2.709 0 50 BFAA in-vitro Cc1cnn(-c2cnc3ccccc3c2)c1 67840734 IBKPUJQAULEVCW-UHFFFAOYSA-N 209.252 2.729 0 50 BFAA COC(=O)c1ccc(-c2ccc(C)cc2)cn1 85210086 PWQQZUWCUOVQJO-UHFFFAOYSA-N 227.263 2.844 0 50 BFAA in-vitro O=c1cc(O)c2cc(Cl)c(Cl)cc2o1 198622881 ZNGOQLZHFHRBBZ-UHFFFAOYSA-N 231.034 2.805 0 50 BFAA Cc1cc(-c2cc3ccccc3o2)c(O)nn1 426396688 WVGJWCDEPCZEBT-UHFFFAOYSA-N 226.235 2.904 0 50 BFAA CC(C)=C=CC(C)(C)CN[C@@H](C)c1n[nH]c(C)n1 1775987455 ZUGMIFAYUGFVRE-NSHDSACASA-N 248.374 2.911 0 50 BFAA C[C@@H]1CCc2c(Cl)nc(Cl)nc2C1 1857784297 FZDKNAIGQIBILC-RXMQYKEDSA-N 217.099 2.908 0 50 BFAA Cc1cc(C)c2c(CC(=O)O)coc2c1 204603 AQIAZHNIQWVFEH-UHFFFAOYSA-N 204.225 2.677 0 50 BFAA biogenic,in-vitro Cc1ccc(NC(=O)N2CCCC2)c(C)c1 397729 WKKPLFRFVXOUQZ-UHFFFAOYSA-N 218.300 2.931 0 50 BFAA Cc1cc(C)cc(C(=O)NC2CCCC2)c1 496683 RWACXSJJOITYTO-UHFFFAOYSA-N 217.312 2.976 0 50 BFAA O=C(O)c1ccc(Cc2ccccc2)cc1 1697492 FPHVRPCVNPHPBH-UHFFFAOYSA-N 212.248 2.976 0 50 BFAA in-vitro COc1ccc(NC(=O)NC(C)C)cc1Cl 4002113 HYMDWGHBDKRMPC-UHFFFAOYSA-N 242.706 2.879 0 50 BFAA O=C(Cc1nc2ccccc2o1)C(F)(F)F 4593291 OWVYBMYMYZKXOR-UHFFFAOYSA-N 229.157 2.502 0 50 BFAA Cc1ccc(/C=C/C(=O)Nc2ccccn2)o1 5394482 ATEHSGJSFUTMNU-BQYQJAHWSA-N 228.251 2.635 0 50 BFAA CCCNC(=O)N[C@H](C)c1ccc(C)cc1 13321252 RBQURYMAUYGLIZ-LLVKDONJSA-N 220.316 2.765 0 50 BFAA CCOC(=O)c1ccc2nc(C)ccc2c1 22016759 WLKKUWXLOSMSMH-UHFFFAOYSA-N 215.252 2.720 0 50 BFAA CNC(=O)CCCSc1ccc(Cl)cc1 34234859 ZFPHBEAPZLQTJM-UHFFFAOYSA-N 243.759 2.958 0 50 BFAA O=C(O)Cc1ccc2nc(Cl)sc2c1 39150373 HBDVBZKFZBCJEW-UHFFFAOYSA-N 227.672 2.577 0 50 BFAA in-vitro CCN(CC)c1cc(Br)ccn1 44118413 RPWJQOUHBJCQCA-UHFFFAOYSA-N 229.121 2.690 0 50 BFAA in-vitro COC(=O)c1cc(F)cc(-c2ncccc2F)c1 85210141 KLKCIBLYZCJPLZ-UHFFFAOYSA-N 249.216 2.813 0 50 BFAA in-vitro c1ccc2c(c1)CC[C@H]2N[C@@H]1CCCOCC1 86869898 BPAQMNOJPQXUMK-UKRRQHHQSA-N 231.339 2.833 0 50 BFAA CCOC(=O)c1ccc2c(c1)ncn2C(C)C 95496130 REWGFANBMHYIAX-UHFFFAOYSA-N 232.283 2.794 0 50 BFAA CC(=O)OCc1ccc(OC(F)(F)F)cc1 117904924 LEOJDDUQYRSCSH-UHFFFAOYSA-N 234.173 2.648 0 50 BFAA CC(C)CCn1nccc1Br 137313168 RNGHEMIXRBETRH-UHFFFAOYSA-N 217.110 2.692 0 50 BFAA Cc1cc(CNc2ccc3c[nH]nc3c2)sn1 404518438 YPVWVXADIXNCPC-UHFFFAOYSA-N 244.323 2.940 0 50 BFAA CC[C@@H](NC1CCCC1)c1ncc(C)[nH]1 670455389 OJYXCPKAUVXUCA-LLVKDONJSA-N 207.321 2.701 0 50 BFAA CCCC[C@@H]1CCCN1Cc1cnc(OC)nc1 822834981 NZQYCQGBONRAHT-CYBMUJFWSA-N 249.358 2.640 0 50 BFAA C=CC(=O)N1CC[C@@H](CCOC)c2ccccc21 1776005833 KEHDLMSYQFYJJU-LBPRGKRZSA-N 245.322 2.729 0 50 BFAA S=C(NCc1ccco1)Nc1ccccc1 59350 RJZAQQXEFJDQTR-UHFFFAOYSA-N 232.308 2.766 0 50 BFAA Cc1occc1C(=O)N1CCc2ccccc21 90853 PKPFQDAFJVTRES-UHFFFAOYSA-N 227.263 2.791 0 50 BFAA O=C(Nc1cccc(Cl)c1)c1ccncc1 119507 OPWMFMHXJKJGGZ-UHFFFAOYSA-N 232.670 2.987 0 50 BFAA O=C(NCc1ccccc1)c1cccc(F)c1 361437 LKIBJWJYXBXEEB-UHFFFAOYSA-N 229.254 2.756 0 50 BFAA in-vitro O=C(O)c1ccc2c(c1)nnn2C1CCCCC1 2487601 GLIAIPXYMCWRTG-UHFFFAOYSA-N 245.282 2.635 0 50 BFAA COc1ccccc1Oc1ccccc1CN 2513068 AWGYZVSQZSOVOS-UHFFFAOYSA-N 229.279 2.946 0 50 BFAA O=C(Cc1ccccc1)NCCc1ccccc1 2584481 SERBNUYNEAQHNJ-UHFFFAOYSA-N 239.318 2.588 0 50 BFAA biogenic COc1ccc2c3c(c(=O)oc2c1)CCCC3 2967352 HDNREROUZXDJLN-UHFFFAOYSA-N 230.263 2.680 0 50 BFAA biogenic CC(=O)CCC(=O)c1ccc(Cl)cc1 5383009 PACHJCBUIAZMEA-UHFFFAOYSA-N 210.660 2.892 0 50 BFAA CC(C)OC(=O)c1ccc(NC(=O)C(C)C)cc1 5384021 WMQPTRVDQDLODU-UHFFFAOYSA-N 249.310 2.846 0 50 BFAA O=C(O)c1ccc(NC(=O)[C@@H]2CC=CCC2)cc1 5513388 CGYYJHMINXBBNH-SNVBAGLBSA-N 245.278 2.680 0 50 BFAA F[C@@H](OC(F)(F)F)C(F)(F)Br 8698311 PJLXAVKTUMSCKH-SFOWXEAESA-N 246.932 2.806 0 50 BFAA in-vitro CCC1=N[C@@H](c2ccc(O)cc2)N(O)C1(C)C 19607398 DPNDGTQEKNIWJD-GFCCVEGCSA-N 234.299 2.725 0 50 BFAA O=C(c1cc(F)ccc1F)N1CCCCCC1 23119849 LSRJDOPDHPVZNY-UHFFFAOYSA-N 239.265 2.981 0 50 BFAA O=C1C[C@H]2C=C[C@H]1c1c(F)c(F)c(F)c(F)c12 100915380 FUFUJGSFBQQDOY-RFZPGFLSSA-N 242.171 2.953 0 50 BFAA CCC1(NC(=O)NC2[C@H]3[C@H]4CC[C@@H](C4)[C@H]23)CCC1 225434386 KGYPLMRPPCUHBW-BJDJZHNGSA-N 248.370 2.663 0 50 BFAA C1CC[C@@H](CNC2CCC3(CC2)CC3)OC1 335607547 ZVIQDRHPDGOFLA-ZDUSSCGKSA-N 223.360 2.868 0 50 BFAA C/C(=C\c1ccco1)CNCC(C)(C)N(C)C 1775994181 XGYAGBNYOJNFOL-FMIVXFBMSA-N 236.359 2.613 0 50 BFAA Oc1ccc(Br)cc1Cl 64966 VIBJPUXLAKVICD-UHFFFAOYSA-N 207.454 2.808 0 50 BFAA in-vitro C[C@@H](NC(=O)c1ccco1)c1ccccc1 299310 IAADLDQTAJKRLP-SNVBAGLBSA-N 215.252 2.771 0 50 BFAA O=C(Nc1cccc(O)c1)NC1CCCCC1 388976 JPXJXHASUDJSOC-UHFFFAOYSA-N 234.299 2.846 0 50 BFAA C[C@H]1S[C@@H](c2ccccc2Cl)NC1=O 444573 BYOSTEFUXFDWRR-LDWIPMOCSA-N 227.716 2.590 0 50 BFAA COC(=O)CCc1ccc(C(C)(C)C)c(O)c1 1394486 XEGIQQDIBMDGNO-UHFFFAOYSA-N 236.311 2.795 0 50 BFAA O=C(Cc1ccc(F)cc1)c1ccc(O)cc1O 2566404 CXBCJNQNUZOTQH-UHFFFAOYSA-N 246.237 2.662 0 50 BFAA biogenic,in-vitro CC[C@@H]1CCc2sc(C(=O)O)cc2C1 3887670 NBTMCDUVHSBKQZ-SSDOTTSWSA-N 210.298 2.961 0 50 BFAA in-vitro c1coc([C@H]2NCCc3sccc32)c1 4513154 HQBCJPJCQGTFIX-NSHDSACASA-N 205.282 2.576 0 50 BFAA in-vitro COC(=O)c1c2c(nc3ccccc13)CCCC2 4542239 UIINMWIYQHIFQH-UHFFFAOYSA-N 241.290 2.900 0 50 BFAA CCCNC(=O)C12CC3CC(CC(C3)C1)C2 4725372 BWUDAHKOSMMQGI-UHFFFAOYSA-N 221.344 2.729 0 50 BFAA CC[C@H]1CCCCN1C1CCN(CC)CC1 4989272 WAQNRVBFGZYQAE-ZDUSSCGKSA-N 224.392 2.735 0 50 BFAA COc1ccc(C)cc1NC(=O)N1CCCC1 6698309 PNPPRPGFJTZYBW-UHFFFAOYSA-N 234.299 2.631 0 50 BFAA CCc1ccc(C(=O)N[C@H](C)[C@@H]2CCCO2)cc1 16604362 NJHCZZOEUKTJAV-RISCZKNCSA-N 247.338 2.546 0 50 BFAA Cc1nc2ccc(C(=O)O)cc2c2c1C[C@H](C)O2 19735262 HZMWUIGUTIJYJZ-ZETCQYMHSA-N 243.262 2.565 0 50 BFAA biogenic Cc1ccnc(NC(=O)c2ccc(N)c(C)c2)c1 19844060 LUWOSCKSPUBQSZ-UHFFFAOYSA-N 241.294 2.533 0 50 BFAA in-vitro CC1(C)c2cc(O)ccc2O[C@H]1N1CCCCC1 39391718 ITRLVVKTHRNGDT-CQSZACIVSA-N 247.338 2.874 0 50 BFAA CC(C)(C)OC(=O)Nc1noc2ccc(N)cc12 40448656 VKHZQNDFOLJRBM-UHFFFAOYSA-N 249.270 2.757 0 50 BFAA in-vitro Oc1ccc(Br)c(F)c1Cl 63772435 PVZYEBPYESHRRX-UHFFFAOYSA-N 225.444 2.947 0 50 BFAA in-vitro FC(F)(F)Oc1cccnc1Br 71793119 BHUNBMCBYFTPAL-UHFFFAOYSA-N 241.994 2.743 0 50 BFAA COc1ccc2c(Cl)c(C(=O)O)cnc2c1 82049632 HTNRMFGXNMFKIN-UHFFFAOYSA-N 237.642 2.595 0 50 BFAA CC(C)Oc1cc(Br)cnc1F 90413221 NIGIBZKHYJOSIF-UHFFFAOYSA-N 234.068 2.770 0 50 BFAA in-vitro CC(C)(C)OC(=O)n1ncc2ccc(O)cc21 95930633 NNWXIYUDXJLBTJ-UHFFFAOYSA-N 234.255 2.525 0 50 BFAA COC(=O)C[C@H](c1cccc(O)c1)C(C)C 98213341 LPNDMJQBOFLBRG-LBPRGKRZSA-N 222.284 2.695 0 50 BFAA in-vitro Nc1c(F)cccc1C(=O)c1ccccc1 122448251 RJNNUHQNHRJKMS-UHFFFAOYSA-N 215.227 2.639 0 50 BFAA in-vitro O=C(O)c1cc(F)c(N2CCCCC2)cc1F 169805733 UHPNICNYOHRQFZ-UHFFFAOYSA-N 241.237 2.653 0 50 BFAA CCCc1nnc(NCc2ccc(C)cc2)o1 181676624 LWNQOGFNEQMHGH-UHFFFAOYSA-N 231.299 2.943 0 50 BFAA Brc1ccnc(OCC2CC2)c1 211527992 XRQOGAJFCVMZSK-UHFFFAOYSA-N 228.089 2.633 0 50 BFAA in-vitro O=C(Nc1cccnc1)Oc1ccc(F)cc1 244315398 XFVMXZHRDLWPBU-UHFFFAOYSA-N 232.214 2.832 0 50 BFAA Fc1ccc2ncnc(N[C@@H]3C[C@H]3C3CC3)c2c1 362378344 KOWNPGSMWYOOOS-GXFFZTMASA-N 243.285 2.979 0 50 BFAA C=CC(=O)Nc1cc(C(F)F)ccc1F 1346099616 JTULOCRCTZLYHU-UHFFFAOYSA-N 215.174 2.888 0 50 BFAA c1coc(-c2nccn2C[C@@H]2CCCOC2)c1 1875250413 WUGRSNIAYMUZDC-NSHDSACASA-N 232.283 2.570 0 50 BFAA COc1ccc(F)cc1-c1nncc(C)c1C 2356159292 UPNTUDSMQJCCTL-UHFFFAOYSA-N 232.258 2.908 0 50 BFAA Nc1nc(-c2c(F)cccc2F)cs1 269198 ZRFCBSGOMCOUJG-UHFFFAOYSA-N 212.224 2.671 0 50 BFAA in-vitro O=C(Nc1ccc(Cl)cn1)c1ccco1 303927 HBXJDEPEUAZTFU-UHFFFAOYSA-N 222.631 2.580 0 50 BFAA CCNC(=O)N(C)Cc1ccc(Cl)cc1 399674 LDBSVLXXTZFWPT-UHFFFAOYSA-N 226.707 2.501 0 50 BFAA CCOC(=O)c1cc(C(C)C)sc1N 2387674 CRSNXJLZRGBLAD-UHFFFAOYSA-N 213.302 2.630 0 50 BFAA in-vitro CC[C@H](C)NC(=O)Nc1cccc(C)c1 2764739 CTFKFWPZAPCZSI-JTQLQIEISA-N 206.289 2.915 0 50 BFAA CCCc1cc(C(F)(F)F)cc(O)n1 8729736 KIPUZHQWADBGHG-UHFFFAOYSA-N 205.179 2.759 0 50 BFAA Nc1ccc(OCc2ccccc2)c(F)c1 14630626 XLEYXHRMSUPJST-UHFFFAOYSA-N 217.243 2.987 0 50 BFAA C[C@H]1CC(=O)CCN1[C@@H](C)c1ccccc1 33945397 XOGIRAQPVLKDBV-RYUDHWBXSA-N 217.312 2.801 0 50 BFAA CN(C)c1ccc(-c2ccnc(Cl)n2)cc1 40450117 GMDQJAOYGPFWCR-UHFFFAOYSA-N 233.702 2.863 0 50 BFAA Cc1ccc([C@H](O)C(F)(F)F)c(C)c1 42268317 JRWQOLMAHKQNNF-VIFPVBQESA-N 204.191 2.899 0 50 BFAA CC[C@@H](C)NC(=O)Cc1ccc(Cl)cc1F 72117882 WQFUALMHPJFIAP-MRVPVSSYSA-N 243.709 2.936 0 50 BFAA C[C@@H]1C[C@]1(Cl)[S@@](=O)c1ccccc1 95627050 BASQNYBLNPBUEJ-DFAYQTQMSA-N 214.717 2.769 0 50 BFAA CC1(C)C[C@H]1C(=O)NCCSc1ccccc1 151954252 XPGWMFLZDHRICZ-LBPRGKRZSA-N 249.379 2.941 0 50 BFAA OCc1cccc(NCc2ccccc2Cl)n1 170089119 YNAARJCSNRYATB-UHFFFAOYSA-N 248.713 2.839 0 50 BFAA O=C(Nc1ccsc1Cl)C1CCOCC1 240540919 GQHDDRIQGAMHCN-UHFFFAOYSA-N 245.731 2.767 0 50 BFAA C[C@@H]1CN(C(=O)Nc2ccc(Cl)nc2)[C@@H]1C 821541687 HQAAJGVCAZYDIF-HTQZYQBOSA-N 239.706 2.607 0 50 BFAA CCn1ncnc1-c1ccc2sc(C)nc2c1 1857734009 JRTDBPIEMBKBIA-UHFFFAOYSA-N 244.323 2.883 0 50 BFAA C[C@H](O)Cn1ccnc1-c1ccccc1Cl 2100477637 DNWJUDQRZBOHMI-VIFPVBQESA-N 236.702 2.584 0 50 BFAA CCOC(=O)/C=C/[C@@H]1C[C@H]1c1ccccc1 207744 PEEFCGIMKBGSEH-VSONXHSHSA-N 216.280 2.909 0 50 BFAA CCOC(=O)c1cc(-c2ccc(C)cc2)[nH]n1 387837 VGQLKLIHKUWTGS-UHFFFAOYSA-N 230.267 2.562 0 50 BFAA in-vitro C[C@@H]1CCCC[C@@H]1NC(=O)COc1ccccc1 388988 HRMBSUOPIATDGS-OCCSQVGLSA-N 247.338 2.760 0 50 BFAA CCC(=O)Nc1nnc(-c2cccs2)s1 620320 DACDPYKAARAPCU-UHFFFAOYSA-N 239.325 2.615 0 50 BFAA O=Cc1c[nH]c2cccc(Br)c12 2563719 IPAFHZDRYAWZOB-UHFFFAOYSA-N 224.057 2.743 0 50 BFAA in-vitro Cc1cc(C)c2c(C(=O)O)cc(C)nc2c1 5488670 NQKOJRQDEGEPIG-UHFFFAOYSA-N 215.252 2.858 0 50 BFAA CCc1ccc(O)c(Br)c1 11949622 XAVFMOSJCDSLCQ-UHFFFAOYSA-N 201.063 2.717 0 50 BFAA in-vitro Clc1n[nH]c2cccc(Br)c12 14985774 VEZIBLSUFZJVBD-UHFFFAOYSA-N 231.480 2.979 0 50 BFAA in-vitro COC(=O)C1(c2ccc(Cl)cc2)CC1 15014924 UCWUIUWJHZEMAL-UHFFFAOYSA-N 210.660 2.545 0 50 BFAA in-vitro O=C(c1cccc(F)c1)c1nccs1 15441691 VYEBMBZNPBSCCN-UHFFFAOYSA-N 207.229 2.513 0 50 BFAA Cc1cc(C)cc(NC(=O)c2coc(C)n2)c1 22606337 HXFZQYFZEHEMLF-UHFFFAOYSA-N 230.267 2.852 0 50 BFAA CCOC(=O)c1ncc(-c2ccccc2)o1 39632521 LRQAQFQUJNFEDT-UHFFFAOYSA-N 217.224 2.518 0 50 BFAA in-vitro Clc1ccc(OC[C@H]2CCNC2)cc1Cl 42772702 HACSXXKCNGCELO-QMMMGPOBSA-N 246.137 2.982 0 50 BFAA Fc1cccc(CC[C@@H]2CCCNC2)c1 51074277 PCXKXICZCAYOGM-LBPRGKRZSA-N 207.292 2.758 0 50 BFAA O=C(O)c1cc(O)cc(-c2ccccc2)c1 65349369 YALBISYENZHRMZ-UHFFFAOYSA-N 214.220 2.757 0 50 BFAA Brc1ccccc1[C@H]1CCNC1 71532732 UDPMAKWIVUVLMO-QMMMGPOBSA-N 226.117 2.526 0 50 BFAA Oc1cc(F)c(OC(F)(F)F)c(F)c1 91297559 AMZMLROLIVUFOM-UHFFFAOYSA-N 214.089 2.569 0 50 BFAA in-vitro Cc1ccc(CC(=O)OC[C@H]2CC=CCC2)cn1 127683718 HXGYHMJQBHOMMN-ZDUSSCGKSA-N 245.322 2.832 0 50 BFAA O=Cc1ccc(-c2cccc(C=O)c2)cc1 140621253 XSIGOKCIGYXXPR-UHFFFAOYSA-N 210.232 2.979 0 50 BFAA in-vitro CC(C)(C)CCn1ncc(Cl)c(Cl)c1=O 162905312 BDQPNJWGKKIGGC-UHFFFAOYSA-N 249.141 2.986 0 50 BFAA FC(F)(F)c1ccc(N2CCSC2)cn1 169725756 UFODWPNDKZSZPK-UHFFFAOYSA-N 234.246 2.611 0 50 BFAA CS[C@H]1CC[C@@H](Nc2nc(C)cnc2C)C1 195563869 PVYSCYILDKTKRE-MNOVXSKESA-N 237.372 2.789 0 50 BFAA CC1(C(=O)O)CCC(C(F)(F)F)CC1 203965593 YDBKPPHNTABOSV-UHFFFAOYSA-N 210.195 2.830 0 50 BFAA C[C@H](N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccco1 248717913 LCUZRMXNMSDHLH-UNJBNNCHSA-N 247.338 2.888 0 50 BFAA O[C@@H]1CCC[C@H]1CN[C@H]1CCc2ccc(F)cc21 305169507 TYIDDNBNQPAVDN-TUKIKUTGSA-N 249.329 2.564 0 50 BFAA C[C@H](NC1CCC1)c1nc2c(s1)CCC2 335607886 LEYYQJPXFLFHKN-QMMMGPOBSA-N 222.357 2.835 0 50 BFAA Cc1ccc(CN2CCC(CF)CC2)cn1 336210345 FEMJTNSUKKSRSO-UHFFFAOYSA-N 222.307 2.572 0 50 BFAA COc1ccccc1-n1ncc(Cl)c1C 408525767 OQYXGRLQHNONDQ-UHFFFAOYSA-N 222.675 2.843 0 50 BFAA CN1Cc2cc(-c3ccncc3)ccc2NC1=O 426590049 WJDJEKKBRZLDEI-UHFFFAOYSA-N 239.278 2.726 0 50 BFAA Cn1nc(-c2ccsc2)nc1N1CCCCC1 426628315 RMRLCSHZDZCLCC-UHFFFAOYSA-N 248.355 2.534 0 50 BFAA O=Cc1cncc(-c2ccnc(C(F)F)c2)c1 725273487 GUQXOFATUHZBPC-UHFFFAOYSA-N 234.205 2.894 0 50 BFAA NNc1ccc2c(Cl)cc(Cl)c(O)c2n1 266378 GEMKVFRCPIKGPF-UHFFFAOYSA-N 244.081 2.533 0 50 BFAA O=C(Nc1ccccc1Cl)N1CCCC1 397515 CRQLZIXKOUIHNW-UHFFFAOYSA-N 224.691 2.968 0 50 BFAA O=Cc1ccc(OC(=O)c2cccs2)cc1 2572316 HVYYUBIHDHBJTG-UHFFFAOYSA-N 232.260 2.780 0 50 BFAA COc1cc(C=O)ccc1OC1CCCC1 4560451 UMIUDSWQJWYRLW-UHFFFAOYSA-N 220.268 2.829 0 50 BFAA in-vitro O=C(O)c1cncc(-c2ccccc2F)c1 12955784 UEEMCRBSNWWVAA-UHFFFAOYSA-N 217.199 2.586 0 50 BFAA CCc1cc(C(=O)N2CCCCC2)cs1 16604550 RYNXVOOHXBLRBL-UHFFFAOYSA-N 223.341 2.937 0 50 BFAA Nc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 43512016 ZSZBNOWRQXRHRD-UHFFFAOYSA-N 241.216 2.532 0 50 BFAA CCCc1noc(CCc2scnc2C)n1 95380925 JGYIMPUXJOUSCH-UHFFFAOYSA-N 237.328 2.572 0 50 BFAA COC(=O)c1ccnc(Cl)c1C(F)(F)F 238323428 CSUGBJBJOJDEAL-UHFFFAOYSA-N 239.580 2.540 0 50 BFAA CN([C@H]1C=CCCC1)[C@@H](CO)c1ccccc1 264980010 KIVUDBNTXUTHFF-GJZGRUSLSA-N 231.339 2.761 0 50 BFAA COc1ccccc1-n1cc(Cl)c(C)n1 408525757 GLHZUMXFGNYIOT-UHFFFAOYSA-N 222.675 2.843 0 50 BFAA CC1(C)CC[C@@H]1C(=O)Nc1nccs1 665575482 VHYUWASBVTZLBZ-SSDOTTSWSA-N 210.302 2.518 0 50 BFAA CCn1nc(C(C)C)nc1-c1ccc(C)nc1 670439131 XOQMDKNVWXDJCX-UHFFFAOYSA-N 230.315 2.792 0 50 BFAA C=CC(=O)N[C@H]1C[C@H](c2cccc(C)c2)C1 888098550 KIXKEFBDIXWLET-JOCQHMNTSA-N 215.296 2.543 0 50 BFAA CC[C@@H](C)NC(=O)/C=C/c1ccccc1OC 472651 CEIRLNQBZIIRHQ-PBQZMEPESA-N 233.311 2.623 0 50 BFAA COC(=O)c1ccccc1-c1ccccc1CO 1257261 LLTZIPYKNWKAFJ-UHFFFAOYSA-N 242.274 2.633 0 50 BFAA CC(C)Oc1ccc(Br)cn1 8698220 FSZRSTNRZUIEMA-UHFFFAOYSA-N 216.078 2.631 0 50 BFAA in-vitro Cc1ccoc1-c1nnc(-c2ccco2)o1 11690573 BPSWBXNHRDHJPN-UHFFFAOYSA-N 216.196 2.898 0 50 BFAA COc1cccc(N)c1NC(=O)OC(C)(C)C 64033703 DGOXKILXOLITHS-UHFFFAOYSA-N 238.287 2.624 0 50 BFAA Oc1cccc2cncc(Br)c12 90714978 ICYBHMHMRXOUCL-UHFFFAOYSA-N 224.057 2.703 0 50 BFAA COc1ccc2c(c1)[C@@H]1CN=C3CCCC[C@]31O2 96027960 DRKPIHKTIRPCSV-SWLSCSKDSA-N 243.306 2.939 0 50 BFAA NC1(c2cccc(F)c2Br)CC1 221826722 LSUDWKUZDRVXCX-UHFFFAOYSA-N 230.080 2.536 0 50 BFAA Cc1ccnc(N[C@@H](C)C[C@@H](O)c2ccco2)c1 225527141 QCORGAKFCVDFRZ-NWDGAFQWSA-N 246.310 2.907 0 50 BFAA COc1ccccc1CN[C@H]1CSC[C@@H]1C 285619895 WJMXDLUBPZYMDJ-JQWIXIFHSA-N 237.368 2.536 0 50 BFAA C1COC[C@@H](CNC23CCC(CC2)CC3)C1 334675729 JZQBPEAJHRDPBV-ROKHWSDSSA-N 223.360 2.725 0 50 BFAA CC(C)SC(=O)[C@@H](C)NC(=O)OC(C)(C)C 690656354 CTWRMZPOOHRGFV-MRVPVSSYSA-N 247.360 2.568 0 50 BFAA C=CC(=O)N1C[C@H](c2ccc(F)cc2)C[C@H]1C 848979436 WMKVOZSWMDJNSZ-ZYHUDNBSSA-N 233.286 2.716 0 50 BFAA COc1ccc(-c2ccncc2OC)cc1OC 1239616749 NHYLTRUFBVBRGJ-UHFFFAOYSA-N 245.278 2.774 0 50 BFAA Cn1cc(-c2cc(F)cc3cccnc23)cn1 1240296689 UZUUCHTZAFGMFB-UHFFFAOYSA-N 227.242 2.774 0 50 BFAA O=C1OCC[C@@H]1Sc1ccc(Cl)cc1 386120 RAZVFEJOZHRSAC-VIFPVBQESA-N 228.700 2.748 0 50 BFAA CCOc1cccc(Br)c1 396172 LQBMPJSTUHWGDE-UHFFFAOYSA-N 201.063 2.848 0 50 BFAA in-vitro CC(C)(C)OC(=O)N1CCc2ccccc21 403317 GWAXLDLPPZPQLO-UHFFFAOYSA-N 219.284 2.984 0 50 BFAA in-vitro COc1ccc(NC(=S)NC(C)(C)C)cc1 452953 XYXGYAHZCXVEEX-UHFFFAOYSA-N 238.356 2.780 0 50 BFAA CCN(CC)C(=O)Nc1ccc2nccnc2c1 1191920 YAPKCWJNAAPXCU-UHFFFAOYSA-N 244.298 2.504 0 50 BFAA Cc1ccccc1NC(=O)c1ccco1 2895947 OPXKBVCKKBVCOA-UHFFFAOYSA-N 201.225 2.840 0 50 BFAA O=C(Nc1cccc(C(F)(F)F)c1)NC1CC1 3136870 YRTKQBWTSMWDFP-UHFFFAOYSA-N 244.216 2.989 0 50 BFAA Cc1cc(C=O)sc1Br 4208982 FATNNNCLTSHUQL-UHFFFAOYSA-N 205.076 2.632 0 50 BFAA in-vitro CC(C)c1ccc(OCCN(C)C)cc1 4914564 UNXXJCYWBAALFJ-UHFFFAOYSA-N 207.317 2.750 0 50 BFAA in-vitro O=C(O)c1ccc2nc(Cl)sc2c1 12336596 QLAKWSXVXQRGDB-UHFFFAOYSA-N 213.645 2.648 0 50 BFAA CCOc1ccc(C2CCNCC2)cc1 14629018 LWJQKQLKJMWIAG-UHFFFAOYSA-N 205.301 2.552 0 50 BFAA C[C@@H]1CN(Cc2ccc(Cl)cc2)C[C@@H](C)O1 19607042 KNIIMCBPRMMBRM-GHMZBOCLSA-N 239.746 2.949 0 50 BFAA COc1c(Cl)ccc(C(=O)O)c1Cl 35065830 MMAQCSXFBGMUFH-UHFFFAOYSA-N 221.039 2.700 0 50 BFAA in-vitro O=C(O)c1ccc2nc(C(F)(F)F)ccc2c1 35270100 PDWMUXHPWPBHDJ-UHFFFAOYSA-N 241.168 2.952 0 50 BFAA Cc1c2cccc(Br)c2nn1C 36533464 BEMHWUFIOBSKJT-UHFFFAOYSA-N 225.089 2.644 0 50 BFAA in-vitro Cc1cc(Br)c2nc[nH]c2c1 62152742 QIFKZWBUTNDYFB-UHFFFAOYSA-N 211.062 2.634 0 50 BFAA CN1C[C@H]2CC=CC[C@]2(c2ccccc2)C1 96027423 AHGAVHJUYSTWDF-HUUCEWRRSA-N 213.324 2.836 0 50 BFAA CC[C@@H](C(=O)c1ccc(F)cc1)N1CCCC1 96032881 BYMOJFLMEMTDDX-ZDUSSCGKSA-N 235.302 2.883 0 50 BFAA in-vitro Cc1cc(C)c2c(O)n(-c3ccccc3)nc2n1 100137725 HIXUVUJDKKNNGA-UHFFFAOYSA-N 239.278 2.743 0 50 BFAA NC[C@H](F)c1ccc(C(F)(F)F)cc1 158059512 QCZXXFOJAXJQIU-QMMMGPOBSA-N 207.170 2.675 0 50 BFAA CN[C@@H]1CCCC[C@@H]1[C@@H](O)c1ccc(OC)cc1 215992859 AIGURAKVPDMCSE-ZNMIVQPWSA-N 249.354 2.507 0 50 BFAA O=C(O)c1ccc(OC(F)F)cc1Cl 225616682 RINVJRYLUFEKIP-UHFFFAOYSA-N 222.574 2.640 0 50 BFAA C[S@](=O)/C(Cl)=C/c1cccs1 252508110 XDCGAOUMMVCFIZ-ZRQQLDRUSA-N 206.719 2.664 0 50 BFAA CCOc1cc(O)cc(C(F)(F)F)c1F 261494405 WTEFDJLNDZJING-UHFFFAOYSA-N 224.153 2.949 0 50 BFAA CCSc1cccc(-c2cnn(CCO)c2)c1 534587804 UJSMGNQQVFOVLG-UHFFFAOYSA-N 248.351 2.654 0 50 BFAA CC(C)(CO)N(Cc1ccoc1)Cc1ccco1 1506400468 VJUKFADZILVVKS-UHFFFAOYSA-N 249.310 2.646 0 50 BFAA CC[C@@]12C[C@@H]1CN(C(=O)c1cc(C(C)C)on1)C2 1772814618 KAJAVZRBOISEMB-YGRLFVJLSA-N 248.326 2.670 0 50 BFAA Clc1cccc(Cl)c1C1[N@@]2CCC[N@]12 1857524626 MPYAFRMNCKUHHH-ZIAGYGMSSA-N 229.110 2.928 0 50 BFAA C1=C(c2ccnc3[nH]ccc23)CSC1 2325873844 WEVJQSMMHOYNDQ-UHFFFAOYSA-N 202.282 2.693 0 50 BFAA O=C(Nc1cccc(F)c1)Nc1ccccn1 275359 BBFOGQDWMVJADJ-UHFFFAOYSA-N 231.230 2.865 0 50 BFAA Cc1ccc(SCC(=O)NC(C)C)cc1 379918 DTWXTBWVWVULDH-UHFFFAOYSA-N 223.341 2.612 0 50 BFAA CCC(=O)Nc1ccc(Cl)cc1OC 399596 DAPOZHWLYIJVOS-UHFFFAOYSA-N 213.664 2.697 0 50 BFAA CCNc1cc2oc(=O)sc2cc1C 450174 GANOLEJHBIIUPE-UHFFFAOYSA-N 209.270 2.595 0 50 BFAA COc1ccc(CC(=O)Nc2ccccc2)cc1 585152 AGDUICNLSDZXNC-UHFFFAOYSA-N 241.290 2.876 0 50 BFAA CC(C)c1nc2ccccc2n1[C@@H](C)C(=O)O 781083 RJIDVTBWWMPEGE-VIFPVBQESA-N 232.283 2.805 0 50 BFAA CC(C)n1cc(NC(=O)c2ccc(F)cc2)cn1 1428557 PVFMDMBGJTVFOU-UHFFFAOYSA-N 247.273 2.855 0 50 BFAA CN(C)Cc1ccccc1Br 1685248 ZPZPSZZVDFMNQS-UHFFFAOYSA-N 214.106 2.511 0 50 BFAA in-vitro COc1ccc([C@@H]2CCCN2)cc1Cl 4237896 LNRUVGVHTAWWLO-JTQLQIEISA-N 211.692 2.773 0 50 BFAA in-vitro O=C(n1cccn1)C12CC3CC(CC(C3)C1)C2 4652479 IZMRPCWQEDJDGT-UHFFFAOYSA-N 230.311 2.740 0 50 BFAA CC(C)C(=O)N1C(=O)c2cccc3cccc1c23 5234868 JVGCZMVZVZKSTI-UHFFFAOYSA-N 239.274 2.983 0 50 BFAA Cn1cc2c(n1)-c1[nH]c3ccccc3c1CC2 5749002 ZDDUDCITGHMAJK-UHFFFAOYSA-N 223.279 2.667 0 50 BFAA O[C@H](CSc1ccccc1)C(F)(F)F 5769691 XCPXRBHWUYVMRH-MRVPVSSYSA-N 222.231 2.702 0 50 BFAA Cc1nnc(S)n1-c1ccc(C(C)C)cc1 6402024 UODBEFAKNKAUKZ-UHFFFAOYSA-N 233.340 2.988 0 50 BFAA COc1ccc([C@H](C)NC(=O)C(C)C)cc1 12381912 IWVMLIGJOLFVTK-JTQLQIEISA-N 221.300 2.528 0 50 BFAA CC(C)C(=O)Nc1ccc(F)c(F)c1F 12381929 CECLEOBLOKUDEX-UHFFFAOYSA-N 217.190 2.698 0 50 BFAA Cc1ccccc1OC/C=C/Cn1ccnc1 16623750 BSPDIPGVFCBBDC-SNAWJCMRSA-N 228.295 2.827 0 50 BFAA CCc1ccccc1-c1cc(C)nc(N)n1 32513807 UKLXSBLUCJUNQS-UHFFFAOYSA-N 213.284 2.597 0 50 BFAA CCn1ccc(-c2[nH]cnc2-c2ccccc2)n1 65387241 NTYYKSCFGPMUFY-UHFFFAOYSA-N 238.294 2.960 0 50 BFAA O=CNc1ccc(Cl)cc1C(F)(F)F 82022371 HQYLSRDBXZNKEG-UHFFFAOYSA-N 223.581 2.927 0 50 BFAA OCc1cc(F)c(Br)cc1Cl 94986135 PXTAPYUVMUWBII-UHFFFAOYSA-N 239.471 2.734 0 50 BFAA in-vitro COC(=O)c1ccnc(-c2ccccc2C)c1 95495505 XAJQDKSVNJHCSK-UHFFFAOYSA-N 227.263 2.844 0 50 BFAA Nc1ccc2cnn(CCCC(F)(F)F)c2c1 133784758 BLHHTSUTXHIVAL-UHFFFAOYSA-N 243.232 2.961 0 50 BFAA Nc1cncc(-c2n[nH]c3cccc(Cl)c23)c1 426590006 PYCYNYOKDOSDPC-UHFFFAOYSA-N 244.685 2.861 0 50 BFAA CC(C)CCNc1ccc(-c2nc[nH]n2)cc1 725242672 SXANRDBCNIZMLS-UHFFFAOYSA-N 230.315 2.930 0 50 BFAA CN1CCCC[C@H]1Cn1ccnc1-c1ccco1 1875247485 WZWYIBGUPUQFDA-LBPRGKRZSA-N 245.326 2.627 0 50 BFAA COCc1nc(-c2c(C)cc(C)cc2C)nn1C 2356141627 JJOMFLHUDREPIJ-UHFFFAOYSA-N 245.326 2.554 0 50 BFAA FC(F)(F)c1ccccc1-n1cnnc1S 127821 WIDPGOMVFKGRCT-UHFFFAOYSA-N 245.229 2.575 0 50 BFAA O=C(O)/C=C/c1ccc(Br)cc1 164560 CPDDDTNAMBSPRN-ZZXKWVIFSA-N 227.057 2.547 0 50 BFAA biogenic,in-vitro O=[S@@](CCc1ccncc1)Cc1ccccc1 266209 FVTOBLYXUBUPJA-QGZVFWFLSA-N 245.347 2.573 0 50 BFAA CCO[C@@]12CCCC[C@H]1C(=O)N2c1ccccc1 333302 WMQKYGLGFAQUCD-ZFWWWQNUSA-N 245.322 2.956 0 50 BFAA C[C@H]1C[C@H]1C(=O)NCc1ccccc1Cl 372111 NMOUSSKELMDEIW-WCBMZHEXSA-N 223.703 2.612 0 50 BFAA CO[C@H](C(=O)O)c1ccc(Cl)c(Cl)c1 396726 CICPXDRPEAWVIT-QMMMGPOBSA-N 235.066 2.766 0 50 BFAA Nc1ccc(C(=O)Nc2ccc(F)cc2)cc1 1428382 XGUHVHHJBSMNAG-UHFFFAOYSA-N 230.242 2.660 0 50 BFAA in-vitro CCSCC(=O)Nc1ccccc1F 1910728 MJGVPBDOCLGLRJ-UHFFFAOYSA-N 213.277 2.517 0 50 BFAA COC(=O)c1cc2cc(Cl)ccc2[nH]1 2539045 WGAOEHZSJWVLBY-UHFFFAOYSA-N 209.632 2.608 0 50 BFAA in-vitro COC(=O)c1scc(-c2ccccc2)c1N 2557710 UKWKMKNACSKDCN-UHFFFAOYSA-N 233.292 2.784 0 50 BFAA C[C@@H](NC(=O)C1CCCCC1)c1ccncc1 6715518 CFEDGJNLPIPWAQ-LLVKDONJSA-N 232.327 2.839 0 50 BFAA Cc1nn(-c2ccc(Cl)cc2)cc1C=O 34743210 ZOQUWXMSMRQAPO-UHFFFAOYSA-N 220.659 2.647 0 50 BFAA in-vitro COCOc1cccc(C(F)(F)F)c1 38283706 ZVAJDXRDOOVXBO-UHFFFAOYSA-N 206.163 2.688 0 50 BFAA in-vitro Oc1cncc2ccc(Br)cc12 71864267 KXGSBBRPEPMUTK-UHFFFAOYSA-N 224.057 2.703 0 50 BFAA c1cc(-c2ccc3[nH]ncc3c2)n2nccc2c1 72138886 ULQOUIPWYJONHN-UHFFFAOYSA-N 234.262 2.878 0 50 BFAA NC(=O)c1ccc(-c2ccc3[nH]ccc3c2)o1 205018733 VZGIWKYWPPDXRH-UHFFFAOYSA-N 226.235 2.527 0 50 BFAA COC(=O)c1cc(Br)cc(F)c1C 261506828 BIVRALFYMUTHBC-UHFFFAOYSA-N 247.063 2.683 0 50 BFAA in-vitro COc1ccc2cc(O[C@@H](C)C(=O)O)ccc2c1 585122801 MQNHSOQKEUDCOW-VIFPVBQESA-N 246.262 2.700 0 50 BFAA C=CC(=O)N1CCC[C@H]1c1ccc(OC)c(F)c1 863971437 TUAAYBWBFLUPRK-LBPRGKRZSA-N 249.285 2.684 0 50 BFAA Cc1c(O)ccc2c3c(c(=O)oc12)CCCC3 83600 OLCPVIMTGKFYJC-UHFFFAOYSA-N 230.263 2.686 0 50 BFAA Nc1ccc(-c2nc3cc(N)ccc3o2)cc1 225952 UMGYJGHIMRFYSP-UHFFFAOYSA-N 225.251 2.659 0 50 BFAA in-vitro Nc1c(-c2ccccc2)nnn1-c1ccccc1 402013 FUCABBOUCNJYAH-UHFFFAOYSA-N 236.278 2.517 0 50 BFAA biogenic COC(=O)Nc1cccc2ccc(O)cc12 1847735 DZNFLGGCJZUMEM-UHFFFAOYSA-N 217.224 2.724 0 50 BFAA O=C1CCN(c2cccc(C(F)(F)F)c2)CC1 19486132 DXMHBFPTUPSOKC-UHFFFAOYSA-N 243.228 2.875 0 50 BFAA in-vitro O=C(O)c1cc(Cl)c(Br)s1 39294204 KDAAIEHVVGYWRT-UHFFFAOYSA-N 241.493 2.862 0 50 BFAA CC(C)c1cccc(N2CCCC2=O)c1 200542454 LJZQOHBPZABDNX-UHFFFAOYSA-N 203.285 2.937 0 50 BFAA CC1=CC[C@H]2[C@H](C1)[C@@H](O)[C@H]1CC=C(C)C[C@H]1[C@H]2O 257358614 VJTLGAFBMXQRLJ-CMXYNOPPSA-N 248.366 2.667 0 50 BFAA C1=C(c2cccs2)CCN(c2ncccn2)C1 301293806 QPLNSHDPPOILSL-UHFFFAOYSA-N 243.335 2.832 0 50 BFAA Cc1cc(Cl)c(CO)cc1Br 575676704 FHULFZLMYWYBSE-UHFFFAOYSA-N 235.508 2.903 0 50 BFAA Oc1ccc2c(c1)CC[C@@H](NCc1ccco1)C2 683473599 ABKCXNMZWQEPSZ-CYBMUJFWSA-N 243.306 2.632 0 50 BFAA Cc1nn(CCN[C@H](C)C2(C)CC2)c(C)c1C 825290557 UBVQDIVCBLPWFY-CYBMUJFWSA-N 235.375 2.587 0 50 BFAA Cn1ccc2ccc(C(=O)C3CCOCC3)cc21 1772816037 DZERQMLQDFBCAG-UHFFFAOYSA-N 243.306 2.788 0 50 BFAA Cc1cccc(OCC(=O)NC2CCCCC2)c1 38396 PCPVQONPOOMGNS-UHFFFAOYSA-N 247.338 2.823 0 50 BFAA O=C(O)Cc1ccc(OCc2ccccc2)cc1 81145 XJHGAJLIKDAOPE-UHFFFAOYSA-N 242.274 2.893 0 50 BFAA in-vitro Brc1cccc2cnccc12 158610 CYJZJGYYTFQQBY-UHFFFAOYSA-N 208.058 2.997 0 50 BFAA in-vitro CN(C)c1cc(N)c2cc(Cl)ccc2n1 171374 MHVPLRFZLQUFMP-UHFFFAOYSA-N 221.691 2.536 0 50 BFAA Cc1sc2nc(C(C)C)oc(=O)c2c1C 186157 AKXXQSXMCNNFMM-UHFFFAOYSA-N 223.297 2.990 0 50 BFAA NC(=S)Nc1nc(-c2cccs2)cs1 408803 SFUKEILTSKBHQJ-UHFFFAOYSA-N 241.366 2.527 0 50 BFAA Cc1ccc(C)c(OCCn2ccnc2)c1 431552 KNUNBYRXGBIQHS-UHFFFAOYSA-N 216.284 2.579 0 50 BFAA Fc1c(F)c(F)c(S)c(F)c1F 2022402 UVAMFBJPMUMURT-UHFFFAOYSA-N 200.131 2.671 0 50 BFAA in-vitro Nc1cc(F)c(Br)cc1Cl 15444523 QIXJYJRZGHXOLM-UHFFFAOYSA-N 224.460 2.824 0 50 BFAA in-vitro Cc1nc(C(=O)Nc2ccc(C)c(C)c2)co1 22606336 BADJMBYMRRTLKP-UHFFFAOYSA-N 230.267 2.852 0 50 BFAA CC[C@H](C)NC(=O)c1ccc(F)c(F)c1F 23119829 YIORLONHPCFDFD-LURJTMIESA-N 231.217 2.632 0 50 BFAA C=C(C)[C@H]1CCC(CCl)=C1C(=O)OC 45071509 POQVWGLSTNEFES-SECBINFHSA-N 214.692 2.681 0 50 BFAA CC(C)C(=O)NCCCc1ccc(F)cc1 72117611 HASGSLIMBWJSKH-UHFFFAOYSA-N 223.291 2.531 0 50 BFAA Nc1nc2ccc(OCc3ccccc3)cc2o1 97757419 GUNUIEUVOUBRAZ-UHFFFAOYSA-N 240.262 2.989 0 50 BFAA O=C([C@@H]1C[C@H]1C1CCC1)N1CCC12CCC2 170020971 IHUMYFAKSPOQLI-NWDGAFQWSA-N 219.328 2.578 0 50 BFAA C[C@@H]1C[C@H]1C(=O)N1c2ccccc2C[C@H]1C 251751346 LJAPGMXRDZGHSK-CKYFFXLPSA-N 215.296 2.620 0 50 BFAA Cc1nsc(N2CCC[C@H]2c2cccnc2)n1 370092583 ZGKMSNPQQJNRRC-NSHDSACASA-N 246.339 2.583 0 50 BFAA CC(C)(C)Cc1nnc2n1CCCCCC2 630951133 IYYUIECCXAEBDJ-UHFFFAOYSA-N 221.348 2.983 0 50 BFAA c1cc(-c2nc[nH]n2)c2[nH]c3c(c2c1)CCCC3 670470540 BGJYANDISZLEEO-UHFFFAOYSA-N 238.294 2.832 0 50 BFAA CCOC(=O)/C=C1/C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 757190468 KNNNXRZJFQEFHJ-VLXNGWNFSA-N 220.312 2.932 0 50 BFAA CCCCn1ncnc1CCc1cccc(O)c1 822889622 GOUZHJMWZVFXBD-UHFFFAOYSA-N 245.326 2.569 0 50 BFAA Cc1cncc(NC(=O)[C@]23CCCC[C@@H]2C3)c1 866405869 LHGUGFIOHLPGAD-RISCZKNCSA-N 230.311 2.909 0 50 BFAA CCn1ccc(-c2cc3ccccc3nc2O)n1 1875331684 UAUZZFCJABDJMI-UHFFFAOYSA-N 239.278 2.824 0 50 BFAA O=C1CCCc2c1[nH]c1ccc(F)cc21 50815 KXRCTKTUQDTGQN-UHFFFAOYSA-N 203.216 2.826 0 50 BFAA in-vitro C[C@@H](NC(=O)c1ccccn1)c1ccccc1 97796 HSECEQYULBGNJA-LLVKDONJSA-N 226.279 2.573 0 50 BFAA O=c1cc[nH]c2ccc(C(F)(F)F)cc12 156129 CEIVPELVRVTMJW-UHFFFAOYSA-N 213.158 2.547 0 50 BFAA in-vitro CC(=O)N(C(C)=O)c1ccc(-c2ccco2)cc1 210146 JHKKIACAJLEWIE-UHFFFAOYSA-N 243.262 2.846 0 50 BFAA Cc1cccc([C@@H]2NC(=O)c3ccccc3N2)c1 410191 IZRZUJFPYGNHRH-AWEZNQCLSA-N 238.290 2.849 0 50 BFAA Cc1ccccc1OCCc1c(C)n[nH]c1C 449012 JDWAIHUYILDJAM-UHFFFAOYSA-N 230.311 2.956 0 50 BFAA CSc1ccc2cc(C(=O)O)[nH]c2c1 3748670 OJPNRJVMABFYLM-UHFFFAOYSA-N 207.254 2.588 0 50 BFAA in-vitro CN(C)c1ccc([C@@H](O)c2cccc(F)c2)cc1 4244751 FNIGACIZNATXGU-OAHLLOKOSA-N 245.297 2.973 0 50 BFAA Cc1cccc(N)c1NC(=O)C(C)(C)C 6715871 HHYBMBHNSZTCDP-UHFFFAOYSA-N 206.289 2.562 0 50 BFAA CC(C)(C)c1cc(NC(=O)c2ccncc2)no1 12381632 LCLDJWNDAWVITQ-UHFFFAOYSA-N 245.282 2.619 0 50 BFAA CCOC(=O)[C@H]([C@@H](C)CC)n1cccc1 12404601 RGEPVMUUYVYHRJ-QWRGUYRKSA-N 209.289 2.638 0 50 BFAA CC(=O)c1ccc(NC(=S)N2CCCC2)cc1 13825761 PNLBZRACFPPOFY-UHFFFAOYSA-N 248.351 2.682 0 50 BFAA CCOC(=O)c1c(C)n[nH]c1-c1ccccc1 19046030 NIVCIGONLNLBNV-UHFFFAOYSA-N 230.267 2.562 0 50 BFAA Cc1cccc(O[C@H](C)C(=O)NC(C)C)c1C 20110307 DJKAXGLNVJQDEK-GFCCVEGCSA-N 235.327 2.595 0 50 BFAA CC(C)(C)[C@@H]1CC(Br)=NO1 30678652 OVTHQBDSNGJXQT-YFKPBYRVSA-N 206.083 2.530 0 50 BFAA in-vitro CCOCC1CCN(C(=O)OC(C)(C)C)CC1 47218722 LOEOXKMATHSFJF-UHFFFAOYSA-N 243.347 2.670 0 50 BFAA Oc1cc(Br)c2occc2c1 95775395 JTCHQLUMIXTTFH-UHFFFAOYSA-N 213.030 2.901 0 50 BFAA in-vitro CC(C)CS(=O)(=O)c1ccc(Cl)cc1 149491409 WAFZLIUGPYJQIS-UHFFFAOYSA-N 232.732 2.770 0 50 BFAA Cc1cccc([C@H](C)NCC[C@@H](C)O)c1C 167741510 YLPIFFMXZYEFAI-YPMHNXCESA-N 221.344 2.725 0 50 BFAA C1=C[C@H](N2CCC([C@H]3CCCO3)CC2)CCC1 189122122 RJDRYZATHAGQTB-LSDHHAIUSA-N 235.371 2.986 0 50 BFAA CCCCCCNC(=O)c1ccn(C)c1C 195033461 ARTVIJQRNQYBHU-UHFFFAOYSA-N 222.332 2.644 0 50 BFAA O=C([C@@H]1[C@H]2CCCC[C@H]21)N1CCCCCC1 245484329 HFMQZPHALJTOHC-ITGUQSILSA-N 221.344 2.825 0 50 BFAA CCC(CC)(CC)NC(=O)c1cc(C)nc(C)n1 330840106 MZRKICVOHCUSSY-UHFFFAOYSA-N 249.358 2.792 0 50 BFAA C1CCC(c2noc([C@@H]3C[C@H]4CC[C@H]3O4)n2)C1 349774248 IZUOBHROTDZNTE-GMTAPVOTSA-N 234.299 2.762 0 50 BFAA CC(C)(C(N)=O)c1ccc(-c2cccnc2)cc1 426510454 VCOZMZAMBHWVLV-UHFFFAOYSA-N 240.306 2.512 0 50 BFAA C[C@@H]1CCN(c2ncnc3[nH]ccc23)C[C@@H](C)C1 443878392 LXZHMFRVVFINOL-MNOVXSKESA-N 244.342 2.830 0 50 BFAA O=C(c1ccc(Cl)cc1O)C(F)(F)F 1536084787 ZOCOISZPDQVWOO-UHFFFAOYSA-N 224.565 2.791 0 50 BFAA C1=C[C@@H](n2ccnc2-c2cncnc2)CCC1 1875244288 QECCSOBHLZTHRS-GFCCVEGCSA-N 226.283 2.621 0 50 BFAA Cc1cc(C)cc(NC(=O)c2cccnc2)c1 29316 RYZRCDYCHWUZLX-UHFFFAOYSA-N 226.279 2.951 0 50 BFAA Cc1ccc(F)cc1I 167084 RZGYAMQMAVTAKP-UHFFFAOYSA-N 236.027 2.739 0 50 BFAA in-vitro COc1ccc2c(c1)sc1nc(C)cc(C)[n+]12 391776 PNDVTSGGEXJYDV-UHFFFAOYSA-N 245.327 2.660 0 50 BFAA Cc1cc2ncn(C(=O)N3CCCC3)c2cc1C 612262 RTJVTWONWISTFF-UHFFFAOYSA-N 243.310 2.717 0 50 BFAA Cc1cc(CO)cc(C)c1Br 1043153 DEDZNWRBWULRPT-UHFFFAOYSA-N 215.090 2.558 0 50 BFAA in-vitro Cc1cc(Br)cc2nc[nH]c12 1438950 WPTOSLNWOXGYRI-UHFFFAOYSA-N 211.062 2.634 0 50 BFAA O=C(O)Cn1c2ccccc2c2ccccc21 2565464 PBDMLLFEZXXJNE-UHFFFAOYSA-N 225.247 2.879 0 50 BFAA CC1(C)OC(=O)C[C@H]1C=C(Cl)Cl 4800346 COKNOMNYGGDKQI-RXMQYKEDSA-N 209.072 2.647 0 50 BFAA c1cncc(-c2noc(Cc3cccs3)n2)c1 4845153 UORCGXVSWOLZBK-UHFFFAOYSA-N 243.291 2.784 0 50 BFAA C[C@H](CC(=O)O)Nc1ccc(Cl)cc1 5276007 GBVLIUPVYMEKLI-SSDOTTSWSA-N 213.664 2.615 0 50 BFAA c1ccc(CC[n+]2ccc3ccccc3c2)nc1 8701083 LFWNIQTVRPPVDE-UHFFFAOYSA-N 235.310 2.765 0 50 BFAA Cc1cc(Cl)cc(Br)c1N 15442279 PLGLAPAIOBPKMR-UHFFFAOYSA-N 220.497 2.993 0 50 BFAA CCN1CCC[C@H]1CNCc1ccccc1C 22935923 ABSIFLHDOZCSOW-HNNXBMFYSA-N 232.371 2.569 0 50 BFAA COC(=O)c1ccc(F)cc1C(F)(F)F 22995906 BNUYNCHJMOWGOH-UHFFFAOYSA-N 222.137 2.631 0 50 BFAA in-vitro COC(=O)c1ccc(-c2noc(C(C)C)n2)cc1 42684351 DHQLCHGFDBAXBP-UHFFFAOYSA-N 246.266 2.647 0 50 BFAA Nc1ccc(NC2CC2)c(Br)c1 43596550 UEXLDZWSIIQOHI-UHFFFAOYSA-N 227.105 2.606 0 50 BFAA Cc1ccsc1CN(C)CCCn1cccn1 65434121 YSADSMNKDISHCZ-UHFFFAOYSA-N 249.383 2.775 0 50 BFAA CC1(C)[C@H]2CC=C(CCn3cnnc3)[C@@H]1C2 65534672 IZOFPRLZXIXVEA-RYUDHWBXSA-N 217.316 2.661 0 50 BFAA CN1[C@H]2C=C(c3ccc(Cl)nc3)C[C@H]1CC2 100025408 XRBRBRUNDFTBCC-VXGBXAGGSA-N 234.730 2.985 0 50 BFAA CCc1noc(C)c1NC(=O)C(C1CC1)C1CC1 121080046 NBZKHYDJNJZUNY-UHFFFAOYSA-N 248.326 2.920 0 50 BFAA COc1cc(F)c(NC(=O)C(C)C)cc1F 126273340 UEFIKKYJWKVHRA-UHFFFAOYSA-N 229.226 2.568 0 50 BFAA CN(C[Si](C)(C)C)C(=O)OC(C)(C)C 196301209 JVBZLRSQJFZTDK-UHFFFAOYSA-N 217.385 2.731 0 50 BFAA Cc1cc(C)c(NC(=O)c2ccoc2)cc1CO 225554204 KUFPGJZPPMAPOA-UHFFFAOYSA-N 245.278 2.641 0 50 BFAA CO[C@H]1CCC=CCCC=CCC[C@H]1O 254566850 NZJRBFVCZFRVNJ-OLZOCXBDSA-N 210.317 2.829 0 50 BFAA FCCCCCN1CC[C@]2(CCCOC2)C1 368500230 VZVGWWFIKPVXKU-CYBMUJFWSA-N 229.339 2.629 0 50 BFAA COc1ccccc1-c1ccc(C(C)=O)cn1 390822286 YRVRWWMFQKIOEF-UHFFFAOYSA-N 227.263 2.960 0 50 BFAA N[C@@H](c1ccns1)C1(O)CCCCCCC1 958528612 WNNYIQGDRZFJHV-NSHDSACASA-N 240.372 2.618 0 50 BFAA C=CC(=O)Nc1ccc(C(F)(F)F)c(F)c1 1336706394 RQOAHKQSGJQVNN-UHFFFAOYSA-N 233.164 2.969 0 50 BFAA C[N@@]1[C@@H](c2ccccc2)[C@@H]1C(=O)c1ccccc1 1857524915 NNCVFQYJJLNXGD-UXLLHSPISA-N 237.302 2.925 0 50 BFAA CCOc1ccccc1OC(=O)c1ccco1 149033 JYXOKRBMXAXZGP-UHFFFAOYSA-N 232.235 2.898 0 50 BFAA CC(C)c1ccc(CN2CCC[C@H](O)C2)cc1 200900 XEJJVRIAZDLMQH-HNNXBMFYSA-N 233.355 2.767 0 50 BFAA CC1=CC2(CC[C@H]1CO)SCCS2 392829 IACAFCIJTWHDCF-VIFPVBQESA-N 216.371 2.511 0 50 BFAA COc1ccc(Cl)cc1C(=O)NCC(C)C 442484 GSFUSGKNYXRUQM-UHFFFAOYSA-N 241.718 2.734 0 50 BFAA CCOC(=O)COc1ccccc1C(C)C 1459367 CYMQLVKNVKRVAX-UHFFFAOYSA-N 222.284 2.752 0 50 BFAA CCOC(=O)C(=O)c1ccc(Cl)cc1Cl 2243435 JENLPPADOGFHRQ-UHFFFAOYSA-N 247.077 2.739 0 50 BFAA Cc1cc(-c2ccc(C(=O)O)s2)cnc1O 8764101 DIIWPABHGARQDY-UHFFFAOYSA-N 235.264 2.522 0 50 BFAA CNC(=S)SCCOc1ccccc1C 8829723 IOLVWYJAIWRQKL-UHFFFAOYSA-N 241.381 2.611 0 50 BFAA CCCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1 14401207 DZHTWZLXWWZRKY-SECBINFHSA-N 241.718 2.634 0 50 BFAA O[C@@H]1c2ccccc2[C@@H]2[C@@H](O)c3ccccc3[C@H]12 17837510 ZHODMXFAYOBKEZ-YHUYYLMFSA-N 238.286 2.648 0 50 BFAA Cc1ccc(C)c(CN2C[C@H](C)O[C@H](C)C2)c1 23114892 JZSZNRKRQYEFDP-OKILXGFUSA-N 233.355 2.913 0 50 BFAA NCCc1c[nH]c2cc(OC(F)(F)F)ccc12 26894239 UFWYMYNPQBBVRL-UHFFFAOYSA-N 244.216 2.568 0 50 BFAA C[C@H](Oc1ccc(F)cc1)C(=O)NC(C)(C)C 42630855 ZCTCXLSTPJRJIC-VIFPVBQESA-N 239.290 2.508 0 50 BFAA Nc1ccc2ncccc2c1Br 45817296 MODLGTLYXJGDCH-UHFFFAOYSA-N 223.073 2.580 0 50 BFAA in-vitro CCCNC(=O)c1ccc(OCC)c(Cl)c1 59400308 YZRUIVKYWNPZFQ-UHFFFAOYSA-N 241.718 2.879 0 50 BFAA Cn1ccnc1-c1cccc(Cl)c1F 65405826 DTRULOYUINQJLP-UHFFFAOYSA-N 210.639 2.880 0 50 BFAA CCOC(=O)c1cnc2cc(F)cc(F)c2c1 98213243 ZLZRYOVXPGOMBL-UHFFFAOYSA-N 237.205 2.690 0 50 BFAA Nc1ccc2c(C(F)(F)F)c[nH]c2c1 117899469 PNZOMTCMXMIYQW-UHFFFAOYSA-N 200.163 2.769 0 50 BFAA C[C@H]1CCCCCN1C(=O)[C@H]1C[C@H]2C=C[C@H]1C2 357807425 ZJDFKKKYQKISNU-XUXIUFHCSA-N 233.355 2.990 0 50 BFAA CNCc1cc(-c2ccc(Cl)c(F)c2)n[nH]1 685949923 WQKJUODCJIFXFJ-UHFFFAOYSA-N 239.681 2.589 0 50 BFAA CCC1(CC)C[C@H]1CNc1ncc(C)c(N)n1 1529168039 URLKOOIPJOVAGJ-JTQLQIEISA-N 234.347 2.605 0 50 BFAA C[C@H](NC(=O)c1ccccn1)c1ccccc1 97792 HSECEQYULBGNJA-NSHDSACASA-N 226.279 2.573 0 50 BFAA Nc1ccc(C(=O)c2ccc(F)cc2)cc1 283719 JHRKKHFDXTWUJO-UHFFFAOYSA-N 215.227 2.639 0 50 BFAA in-vitro Cc1ccc(SCC(=O)NCC(C)C)cc1 379738 ZLTXJLLNIIBIMN-UHFFFAOYSA-N 237.368 2.859 0 50 BFAA CSc1ccccc1C(=O)NC(C)C 582697 FDFQXELCRJEEKO-UHFFFAOYSA-N 209.314 2.547 0 50 BFAA CCCNC(=O)[C@H](CC)c1ccccc1 2745677 QOKXKNXYKXZFPD-GFCCVEGCSA-N 205.301 2.706 0 50 BFAA CCCCNCCOc1ccc(F)cc1 2933119 PWIFFPYKKDQWFO-UHFFFAOYSA-N 211.280 2.594 0 50 BFAA C[C@@H]1CN(C)[C@H](C)C[C@@H]1NCc1ccccc1 4298767 WSVFANOWQHGVOH-NFAWXSAZSA-N 232.371 2.505 0 50 BFAA Oc1ccccc1-c1cc[nH]c(=S)n1 6059909 VEJSONUNEJJSPW-UHFFFAOYSA-N 204.254 2.512 0 50 BFAA COC(=O)c1ccccc1OCC(C)C 34142056 PPVSESCRWNBVDV-UHFFFAOYSA-N 208.257 2.508 0 50 BFAA NCCCc1ccc(C(F)(F)F)cc1 34362954 OHYSYTVKICEPLQ-UHFFFAOYSA-N 203.207 2.597 0 50 BFAA in-vitro CCCCNc1ccc(C(=O)OCC)cc1N 41080619 BPPIUQJSJWGCEP-UHFFFAOYSA-N 236.315 2.658 0 50 BFAA in-vitro CCN(C)C(C)(C)C(=O)c1ccccc1C 96027144 MVVQAGSRGWRVCD-UHFFFAOYSA-N 219.328 2.908 0 50 BFAA C[C@H](NCCc1ccccc1F)[C@@H]1CCCO1 154403625 WJRQQJXGUSQPKT-FZMZJTMJSA-N 237.318 2.525 0 50 BFAA c1ccc(-c2nccn2Cc2cccnc2)cc1 169376979 TUIMEQXOQYTUPW-UHFFFAOYSA-N 235.290 2.993 0 50 BFAA Clc1cc(Br)c2nc[nH]c2c1 170591036 RHDGVHIUGAGINX-UHFFFAOYSA-N 231.480 2.979 0 50 BFAA CCc1ccc(CN2CCC[C@]2(CC)CO)cc1 170603282 UNJAYVIRWHHEGN-MRXNPFEDSA-N 247.382 2.986 0 50 BFAA Cc1coc(SCCCN2CCCCC2)n1 188425846 UEUIKACZPMDZRG-UHFFFAOYSA-N 240.372 2.951 0 50 BFAA CCc1nc(C)ccc1OCc1cccnc1 193725246 IHSOWIZOUSDXAF-UHFFFAOYSA-N 228.295 2.926 0 50 BFAA N[C@H]1CC[C@H](Nc2ncc(Cl)cc2Cl)C1 211368552 MJJXSYWKMRKLJT-YUMQZZPRSA-N 246.141 2.680 0 50 BFAA CC(C)c1nccn1Cc1cncc(F)c1 225429750 MUCBIIOPRLEYPC-UHFFFAOYSA-N 219.263 2.589 0 50 BFAA COC(=O)c1cc(F)cc(Cl)c1Cl 263623883 LOOZPCXZXVEWBX-UHFFFAOYSA-N 223.030 2.919 0 50 BFAA CCCN1CCC(F)(c2ccccn2)CC1 289395095 RKDVJNYLLZQERW-UHFFFAOYSA-N 222.307 2.752 0 50 BFAA Cc1ccccc1NC(=O)C1CC(F)(F)C1 334669808 YYGBPVRUTXRMGV-UHFFFAOYSA-N 225.238 2.979 0 50 BFAA Fc1cccc2nc(N3CCCC3)oc12 623788305 VMWOICHLCCRVQV-UHFFFAOYSA-N 206.220 2.567 0 50 BFAA COc1ccc(-c2nc(C)cnc2C)cc1F 1239576662 SAZOBXJXWAWINU-UHFFFAOYSA-N 232.258 2.908 0 50 BFAA c1ccc(-c2nccn2C2(C3CC3)CC2)nc1 1875244907 AANOJIPUVINJDD-UHFFFAOYSA-N 225.295 2.844 0 50 BFAA CC1(C)OC(=O)N2CCc3ccccc3[C@]21C 139765 KNBXITQUNJWIRE-AWEZNQCLSA-N 231.295 2.689 0 50 BFAA Cc1oc(-c2ccccc2)cc1C(=O)O 158808 VLMNACSEESRUAK-UHFFFAOYSA-N 202.209 2.953 0 50 BFAA in-vitro Cc1ccc(CNCc2ccco2)cc1 300135 LTKSRIGURQCUJV-UHFFFAOYSA-N 201.269 2.878 0 50 BFAA in-vitro CCOc1ccccc1CNCc1ccccn1 360550 HHBDNQVJYQCKDB-UHFFFAOYSA-N 242.322 2.770 0 50 BFAA COc1ccc2c(C(=O)O)cccc2c1 399024 WRZAWKSSADRYTA-UHFFFAOYSA-N 202.209 2.547 0 50 BFAA in-vitro Cc1ccccc1[C@@H]1NC(=O)Cc2ccccc21 435258 RHXWVLGYRAMFHP-INIZCTEOSA-N 237.302 2.757 0 50 BFAA O=c1c2ccccc2ncn1C1CCCCC1 467602 FTCCTWKIRSDYLK-UHFFFAOYSA-N 228.295 2.902 0 50 BFAA biogenic Cc1ccc(/C=C/C(=O)Nc2ccncc2)o1 474142 KWRYENKPDGHCHL-SNAWJCMRSA-N 228.251 2.635 0 50 BFAA Cc1ccc(C(=O)NC2CCCC2)c(C)c1 514570 KICURTYXMAYHES-UHFFFAOYSA-N 217.312 2.976 0 50 BFAA Cc1ccc(C(=O)N2CCCC2)cc1Cl 858939 HFFZQMZTQAVWHS-UHFFFAOYSA-N 223.703 2.884 0 50 BFAA COc1ccc(C2(C(=O)O)CCCCC2)cc1 1594733 JKJAJSWMKTWWJS-UHFFFAOYSA-N 234.295 2.982 0 50 BFAA in-vitro O=C(O)c1cc(Cl)c(Cl)cc1F 2567856 XFOJZPTYJMXNKK-UHFFFAOYSA-N 209.003 2.831 0 50 BFAA in-vitro C[C@H](c1ccc(C(=O)O)o1)N1CCCCC1 4690255 GHIVIJCNBBEVPR-SECBINFHSA-N 223.272 2.525 0 50 BFAA Cc1cccc([C@]2(O)C[C@H](C)N(C)C[C@@H]2C)c1 4697429 NQXBVFUTBSOOME-YDHLFZDLSA-N 233.355 2.543 0 50 BFAA Cc1cccc([C@@H]2CC(=O)c3c(C)n[nH]c3C2)c1 8743636 GTGIEROGWVRKLT-LBPRGKRZSA-N 240.306 2.939 0 50 BFAA O=C(NC1CCCC1)c1cc(F)cc(F)c1 9376235 SXIDPMPWSQCWKW-UHFFFAOYSA-N 225.238 2.637 0 50 BFAA Cc1ccc(NC(=O)c2cccc(O)c2)cc1 9503610 PTWBIHKNVHUCSO-UHFFFAOYSA-N 227.263 2.953 0 50 BFAA in-vitro CC(C)OCCCNCC1CCCCC1 13718569 VXKGLEHOJVOYBL-UHFFFAOYSA-N 213.365 2.971 0 50 BFAA Brc1cccc(-c2ncccn2)c1 16124749 CETLQDSNTJEASI-UHFFFAOYSA-N 235.084 2.906 0 50 BFAA COc1ccc(CCC2CCNCC2)c(OC)c1 20135877 LGWSGMZHTVLZFO-UHFFFAOYSA-N 249.354 2.636 0 50 BFAA C[C@@H](O)c1ccc(-c2ccc(C(N)=O)cc2)cc1 67856801 NWTAIEMQPCNGRE-SNVBAGLBSA-N 241.290 2.506 0 50 BFAA Cc1nn(C)c2c1[C@H](C1CCCCC1)CC(=O)N2 72117619 XQOQFVXBLFNZOW-NSHDSACASA-N 247.342 2.735 0 50 BFAA COC(=O)c1cnc2ccsc2c1Cl 95708161 XMAAPCRARDHOKI-UHFFFAOYSA-N 227.672 2.736 0 50 BFAA O=Cc1c(Cl)cc(O)cc1Br 222165460 UPKICZQMPQYKOU-UHFFFAOYSA-N 235.464 2.621 0 50 BFAA C[C@H]1C[C@@H](NCC[C@H](C)[S@@](C)=O)CC[C@H]1C 230279867 NMTVPBDGDFGNEL-FDZNKFEOSA-N 245.432 2.558 0 50 BFAA CC1(C)[C@H](O)CC[C@]2(C)[C@H](O)CCC[C@@]12C 253479660 RRFARTUDYDSMBW-OXHZDVMGSA-N 226.360 2.725 0 50 BFAA C[C@H]1C[C@H](C(=O)O)CN(CCC2CCCC2)C1 263344236 OEESEFVVLGMYCO-AAEUAGOBSA-N 239.359 2.609 0 50 BFAA CCC(CC)C(=O)N[C@H](CCO)c1ccccc1 279765161 FNKQSOLGUCEXLV-CQSZACIVSA-N 249.354 2.663 0 50 BFAA Fc1ccc(CN2C[C@H]3CCCC[C@H]32)cn1 367957881 QLHXVAQPOHNSHG-VXGBXAGGSA-N 220.291 2.595 0 50 BFAA Cc1cc(-c2cncc(C(C)(C)O)c2)ccc1O 426550351 DBCIJODORZVPDD-UHFFFAOYSA-N 243.306 2.990 0 50 BFAA Cc1nc(-c2ccc3sc(C)nc3c2)n(C)n1 1875246824 NOZBYLISAQNCAQ-UHFFFAOYSA-N 244.323 2.709 0 50 BFAA Cc1cn(C)nc1-c1ccccc1OC(F)F 1875291855 NQNSRFOGKRPODA-UHFFFAOYSA-N 238.237 2.997 0 50 BFAA Cc1cccc2c(-c3cncc(N)n3)c[nH]c12 2356155687 JGFGZCNWQPGQKV-UHFFFAOYSA-N 224.267 2.516 0 50 BFAA CCOC(=O)c1c(C)cc(C)[nH]c1=S 56384 YIWHZWNZHBVKFF-UHFFFAOYSA-N 211.286 2.538 0 50 BFAA O=C(Nc1ccccc1F)c1ccc(O)cc1 59354 JAWPELZTSRQBPQ-UHFFFAOYSA-N 231.226 2.784 0 50 BFAA CC(=O)c1ccc(OC(=O)C(C)(C)C)cc1 149152 VJKMJVAOMRMDGU-UHFFFAOYSA-N 220.268 2.841 0 50 BFAA Nc1cccc(C(=O)Nc2ccccc2)c1 291001 KPSPULPPMWHXGE-UHFFFAOYSA-N 212.252 2.521 0 50 BFAA biogenic,in-vitro CCC[C@@H](C)NC(=O)c1ccc(C)cc1 383582 WEVIRYJSABXFDT-LLVKDONJSA-N 205.301 2.913 0 50 BFAA CCc1cc2c(C)cc(=O)oc2cc1OC 405844 VTCWTXNMVRIVEE-UHFFFAOYSA-N 218.252 2.672 0 50 BFAA C[C@H]1CCCCN1C(=O)c1ccc(Cl)nc1 1472286 XCBFDGHHGVSHQB-VIFPVBQESA-N 238.718 2.750 0 50 BFAA Cc1cnc(NC(=O)Cc2ccccc2C)s1 6698754 JPOHCQFSEBMYGM-UHFFFAOYSA-N 246.335 2.941 0 50 BFAA CCOc1ccccc1NC(=O)N1CCCC1 6730433 DPZVQUOLCYKNDG-UHFFFAOYSA-N 234.299 2.713 0 50 BFAA CC(C)(C)c1cc(NC(=O)C2CCC2)no1 12381574 YBCRACZSRADLMD-UHFFFAOYSA-N 222.288 2.711 0 50 BFAA COC(=O)c1cc(Cl)c2cc[nH]c2c1 14984760 JUXKOXNZVJDRIQ-UHFFFAOYSA-N 209.632 2.608 0 50 BFAA in-vitro C[C@@H]1C(=O)C[C@H](c2ccco2)N[C@H]1c1ccco1 19537248 ODBXCYFSKSAVDY-GPCCPHFNSA-N 245.278 2.854 0 50 BFAA N[C@@H](c1ccc(F)cc1)[C@@H](N)c1ccc(F)cc1 22029536 DWKHQEHNAPMAGG-KBPBESRZSA-N 248.276 2.665 0 50 BFAA CC(=O)CCCc1nc(-c2cccc(F)c2)no1 32541056 PRFYYRYZJVKFAT-UHFFFAOYSA-N 248.257 2.787 0 50 BFAA COC(=O)c1cc2ccc(C)cc2s1 34120117 IEQZYPPKTCXONS-UHFFFAOYSA-N 206.266 2.996 0 50 BFAA in-vitro CCCC[C@H](CC)C1OCC(N)(CC)CO1 34381359 HUCQDJSIEQSMGW-HIFPTAJRSA-N 229.364 2.683 0 50 BFAA Cc1cc(Br)sc1C=O 34473047 NIXUUECXYHZKTI-UHFFFAOYSA-N 205.076 2.632 0 50 BFAA in-vitro Cc1nccn1C(=O)Nc1ccc(Cl)cc1 71778627 ARHGXDIUYGQKKR-UHFFFAOYSA-N 235.674 2.925 0 50 BFAA COc1ccc(Cl)c(C=O)c1Cl 80541496 BOEYOJGUYQCWTR-UHFFFAOYSA-N 205.040 2.815 0 50 BFAA Cc1cc(C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)no1 104288938 XZTDGTZGCCWLJK-NOOOWODRSA-N 248.326 2.538 0 50 BFAA CC[C@H]1CCCCN1CC[C@H]1CCCCN1 248022170 JPRFWBGCRQMGHE-KGLIPLIRSA-N 224.392 2.783 0 50 BFAA Cc1cc(Cl)cc(CC(=O)O)c1Cl 263624536 RIWTXTSVHKBPMU-UHFFFAOYSA-N 219.067 2.929 0 50 BFAA Cc1ncsc1-c1ccc(CO)cc1 606277652 UXQKKRTYIWULHL-UHFFFAOYSA-N 205.282 2.611 0 50 BFAA CN1CCC[C@H](CSc2ccccc2O)C1 709454934 MRIHSVWYAIJRNS-NSHDSACASA-N 237.368 2.826 0 50 BFAA CC(C)(O)[C@@H]1CCN(C2CCCCCC2)C1 721787667 HNHZKPYYIJUNKZ-GFCCVEGCSA-N 225.376 2.802 0 50 BFAA Cc1cc(C=O)ccc1-c1ccc(C(=O)O)o1 725261015 GBRABRYKZDDTAS-UHFFFAOYSA-N 230.219 2.766 0 50 BFAA O=C(NC1Cc2ccccc2C1)c1ccccc1 171404 LTGSVHPANCELJE-UHFFFAOYSA-N 237.302 2.584 0 50 BFAA CC[C@H](Oc1ccc(C)c(C)c1)C(=O)O 372499 PNWGQBBWAMFZBY-NSHDSACASA-N 208.257 2.545 0 50 BFAA in-vitro CC(C)(C)c1ccc(NC(N)=S)cc1 402156 CDQMIFDISMKPDE-UHFFFAOYSA-N 208.330 2.640 0 50 BFAA in-vitro Cc1cccc([C@@H](NC(N)=O)c2ccccc2)c1 437672 IWCPEIGEKXEZCI-AWEZNQCLSA-N 240.306 2.753 0 50 BFAA OCCOc1ccc(-c2ccccc2)cc1 1732303 SYULRPAQEBKROC-UHFFFAOYSA-N 214.264 2.725 0 50 BFAA COc1cc(Br)cc2[nH]ccc12 2384132 WPFDDPXFOMVGIN-UHFFFAOYSA-N 226.073 2.939 0 50 BFAA in-vitro CCCN(CCC)C(=O)c1ccc(N)cc1 12138092 YZZJRTKRDSVWQU-UHFFFAOYSA-N 220.316 2.531 0 50 BFAA in-vitro Cc1cc(C(N)=O)sc1-c1ccccc1 13327861 HHSZXZCEVKRPPZ-UHFFFAOYSA-N 217.293 2.822 0 50 BFAA CCCOc1ccccc1CNC1CC1 20924533 YSGZMSAMUAWFIF-UHFFFAOYSA-N 205.301 2.727 0 50 BFAA CN(C)C(=O)c1ccccc1-c1cccc(O)c1 32511597 GTTWMFVYJSQWCN-UHFFFAOYSA-N 241.290 2.761 0 50 BFAA NC(=O)c1cc(Cl)cc(-c2ccccc2)c1O 71773045 VBBUWESMWAYRTO-UHFFFAOYSA-N 247.681 2.812 0 50 BFAA Cc1csc(CNc2ncc(C)s2)n1 134992043 KFQIUSAMRINARX-UHFFFAOYSA-N 225.342 2.829 0 50 BFAA CC(C)CCNC[C@@](C)(O)c1cccs1 190766338 APBRRLNTCINVGM-GFCCVEGCSA-N 227.373 2.591 0 50 BFAA CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H]1C=O 220563560 FVFZNUFDZXUBCF-LBPRGKRZSA-N 247.294 2.677 0 50 BFAA CC(C)=CCN1CC[C@H](C)[C@H](n2ccnc2)C1 245611763 OFAMWEALWZLOLF-UONOGXRCSA-N 233.359 2.732 0 50 BFAA Cc1cc(-c2cnn3c2OCCC3)cs1 623284716 ZSWCLQJEAWBKHI-UHFFFAOYSA-N 220.297 2.703 0 50 BFAA Cn1ncc2ccc(Cl)c(Br)c21 694948694 PJIKVPVROYBHPN-UHFFFAOYSA-N 245.507 2.989 0 50 BFAA O=C(Nc1cnsc1)N1CCCCCC1 709851263 KSYOEYXUAVKGRW-UHFFFAOYSA-N 225.317 2.551 0 50 BFAA C=CC(=O)Nc1cccc2c1CN(CC(C)C)C2 863971577 ZGAJRDBPTXSWHZ-UHFFFAOYSA-N 244.338 2.783 0 50 BFAA CC[C@H]1C=CCN1Cc1cc(OC)cc(OC)c1 952872777 SVHYDGVOEMBTNZ-ZDUSSCGKSA-N 247.338 2.854 0 50 BFAA Clc1ccc([C@@H]2[N@@]3CCC[N@@]23)c(Cl)c1 1857524622 MHSDNZOIEHWIIL-OJNYZHBWSA-N 229.110 2.928 0 50 BFAA C=CC(=O)N[C@@H](CCC(C)(C)C)c1ccn(C)n1 1875375960 KNZMCDRZTHHWAH-NSHDSACASA-N 249.358 2.590 0 50 BFAA Clc1cccc(SC2CCNCC2)n1 958 GGALEXMXDMUMDM-UHFFFAOYSA-N 228.748 2.579 0 50 BFAA in-man Cc1ccc(NC(=O)c2noc3c2CCC3)cc1 426309 FVPDISXWSJZWIP-UHFFFAOYSA-N 242.278 2.724 0 50 BFAA CCOC(=O)c1cc2cc(CC)ccc2[nH]1 1703141 BPAHRSSJFSVBFO-UHFFFAOYSA-N 217.268 2.907 0 50 BFAA in-vitro CCCCNC(=O)Nc1ccc(C)cc1 1704434 JFYNDZSUPRRXEA-UHFFFAOYSA-N 206.289 2.917 0 50 BFAA CCCCO[C@H](C)OCC(F)(F)F 4334591 DIKMXGDAKSQQSJ-ZETCQYMHSA-N 200.200 2.728 0 50 BFAA biogenic,in-vitro CCc1nnc2sc(-c3ccc(F)cc3)nn12 4487463 GBRGHXPWXLDNLF-UHFFFAOYSA-N 248.286 2.554 0 50 BFAA Nc1cc(N)c2c(c1)Oc1ccccc1CC2 4941928 ZTJHDISIKIUTBT-UHFFFAOYSA-N 226.279 2.742 0 50 BFAA CC[C@@H]1CCCCN1C1CCN(CC)CC1 4989271 WAQNRVBFGZYQAE-CYBMUJFWSA-N 224.392 2.735 0 50 BFAA CCCCS(=O)(=O)Nc1cc(F)ccc1C 6698631 FIHYGKMAFKTXCB-UHFFFAOYSA-N 245.319 2.676 0 50 BFAA Cc1cc(=O)c2cc(OCC(C)C)ccc2[nH]1 8700563 UPQHKWQRXLZGPQ-UHFFFAOYSA-N 231.295 2.871 0 50 BFAA CCC(=O)Nc1cccc(C(=O)N[C@@H](C)CC)c1 12138789 MGPDHIZPRDIUNZ-JTQLQIEISA-N 248.326 2.563 0 50 BFAA Cc1nc(C(=O)Nc2cccc(C)c2C)co1 22606326 IVKUZPAWJNUQBM-UHFFFAOYSA-N 230.267 2.852 0 50 BFAA Nc1ccc2cc(C(F)(F)F)ccc2n1 26474758 IMXIFGHLRHXQGE-UHFFFAOYSA-N 212.174 2.836 0 50 BFAA in-vitro Cc1cc(Br)c(F)cc1C=O 26893632 XTCHJHTWCZHFQJ-UHFFFAOYSA-N 217.037 2.709 0 50 BFAA in-vitro CCCOc1ccc(Br)c(C)n1 65337530 LUGOFOMTYGNWHQ-UHFFFAOYSA-N 230.105 2.941 0 50 BFAA in-vitro COCc1cccc(NC(=O)C(C)(C)C)c1 70251187 ZHGJRFCZDQINGX-UHFFFAOYSA-N 221.300 2.818 0 50 BFAA CC(=O)Oc1ccc(Br)cc1F 115049499 UKOKLZNUIOTMJU-UHFFFAOYSA-N 233.036 2.514 0 50 BFAA CC[C@H](C)NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 225229400 JZPGDRPIZJGHAT-FIQHERPVSA-N 209.333 2.727 0 50 BFAA Cc1cccc(NC(=O)N[C@H](C)C(C)(F)F)n1 334695601 FJEBAWSDTBGJDW-MRVPVSSYSA-N 243.257 2.555 0 50 BFAA CC(C)OCCNc1cccc(CO)c1Cl 864094192 JCFICCYHEAQMHE-UHFFFAOYSA-N 243.734 2.669 0 50 BFAA C=CC(=O)N1CC[C@@H](c2cccc(Cl)c2)C1 888098996 ZIPPHMNLWMRAEF-LLVKDONJSA-N 235.714 2.842 0 50 BFAA Nc1cccc2ccc(-c3ccccn3)nc12 1501018220 GWNMRVSXHOPPQC-UHFFFAOYSA-N 221.263 2.879 0 50 BFAA CCC(C)(CC)c1noc(-c2cnnc(C)c2)n1 1616037448 BZRFURUSNAXYEE-UHFFFAOYSA-N 246.314 2.913 0 50 BFAA C=CC(=O)N[C@H]1C[C@H]2CCCc3cccc1c32 1875366692 UNHRBJUUDIJSSC-YPMHNXCESA-N 227.307 2.854 0 50 BFAA c1ccc(Cc2ncoc2-c2cc[nH]n2)cc1 2356159633 KHRUOXBFCJWANC-UHFFFAOYSA-N 225.251 2.656 0 50 BFAA CC[C@H](C)NC(=O)c1ccccc1Cl 126145 QGHRLJWPQVGPEP-QMMMGPOBSA-N 211.692 2.868 0 50 BFAA OCCCNCc1ccc(-c2ccccc2)cc1 2178149 RVYDKIPYSCSTSS-UHFFFAOYSA-N 241.334 2.826 0 50 BFAA CCSC(SCC)c1ccnc(N)n1 2508388 CHJNNYABPDBDFI-UHFFFAOYSA-N 229.374 2.564 0 50 BFAA CC1(C)C[C@H](CNCc2ccco2)CCO1 4029647 VWITYRWDKHHLGB-LLVKDONJSA-N 223.316 2.574 0 50 BFAA biogenic COc1ccccc1CNCc1ccoc1 4030903 GKZKBPSSQRNJFC-UHFFFAOYSA-N 217.268 2.578 0 50 BFAA CCN(CCN(C)C)[C@@H](C)CCc1ccccc1 19636391 DLFZAIATCCFMEW-HNNXBMFYSA-N 248.414 2.891 0 50 BFAA COC[C@H]1CCN(C[C@@H]2C[C@H]2c2ccccc2)C1 20512622 GRUSGASPHBKKTJ-BPUTZDHNSA-N 245.366 2.758 0 50 BFAA Brc1ccnc(N2CCCCC2)c1 39933116 SRJWDPFVNPQGDM-UHFFFAOYSA-N 241.132 2.834 0 50 BFAA CCOC(=O)[C@H](C)c1ccc2ncccc2c1 72190333 WEXDXTGMVWYWLX-SNVBAGLBSA-N 229.279 2.901 0 50 BFAA O=C(O)c1cc(C(F)(F)F)cc2cc[nH]c12 79065594 MEAOZPVNHLARQW-UHFFFAOYSA-N 229.157 2.885 0 50 BFAA NCc1cc(Cl)ccc1Br 83350881 UCLVFGCUXVRRJD-UHFFFAOYSA-N 220.497 2.561 0 50 BFAA in-vitro Cc1csc(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)n1 101565960 TWKOKBQQEGAVOJ-LPEHRKFASA-N 236.340 2.826 0 50 BFAA O=C(O)CCc1ccc(C(F)F)cc1 124617436 LVXZDAFJMMWJLD-UHFFFAOYSA-N 200.184 2.641 0 50 BFAA in-vitro COC(=O)Cc1cccc2nc(Cl)ccc12 149575996 KIBPKLUZEUVGKV-UHFFFAOYSA-N 235.670 2.604 0 50 BFAA Cc1ccc(F)c(-c2noc(C)c2C(=O)O)c1 235904882 YJIXWEXTBUNHRJ-UHFFFAOYSA-N 235.214 2.796 0 50 BFAA Cc1c[nH]cc1C(=O)NCCC[Si](C)(C)C 408519460 RTAZRDSWMCFRRF-UHFFFAOYSA-N 238.407 2.781 0 50 BFAA Cc1cc(-c2ccc3n[nH]cc3c2C)cnc1N 1241475649 UZFFTYOAHLFPJX-UHFFFAOYSA-N 238.294 2.824 0 50 BFAA CC[C@H]1Cc2nnc(CCc3ccccc3)n2C1 1800413242 DOVVXMORJGUUOJ-LBPRGKRZSA-N 241.338 2.646 0 50 BFAA O=C1CCc2cc(-c3cncc(O)c3)ccc21 1875245104 KFTOEGKMLKPDKN-UHFFFAOYSA-N 225.247 2.583 0 50 BFAA Nc1ccc(O)c(-c2nc3ccccc3o2)c1 125049 JVPMCQUVQZEYKJ-UHFFFAOYSA-N 226.235 2.783 0 50 BFAA biogenic,in-vitro Cc1c(Cl)cccc1NC(=O)N(C)C 397749 YSMGKTOVYFPIPS-UHFFFAOYSA-N 212.680 2.742 0 50 BFAA CC(C)(C)C(=O)Nc1cc(Cl)ccn1 6643279 HDLIWEMWMDOCHM-UHFFFAOYSA-N 212.680 2.720 0 50 BFAA in-vitro COC(=O)c1ccc(-c2cccc(O)c2)cc1 6735135 LIQIQAWUDHGWSL-UHFFFAOYSA-N 228.247 2.846 0 50 BFAA in-vitro Cc1cc(=O)c2cccc(Br)c2[nH]1 8672870 VZEQVJZHDYRCBZ-UHFFFAOYSA-N 238.084 2.599 0 50 BFAA in-vitro COc1cc(Br)c2ocnc2c1 8729775 UXGJFRVLTQFYMX-UHFFFAOYSA-N 228.045 2.599 0 50 BFAA N[C@]1(c2ccccc2Cl)CCCCC1=O 35635999 BEQZHFIKTBVCAU-LBPRGKRZSA-N 223.703 2.637 0 50 BFAA world CC(C)(C)OC(=O)n1ccc2ccc(CO)cc21 66324420 DWFFNTQPJJEVQG-UHFFFAOYSA-N 247.294 2.917 0 50 BFAA Cc1cc2c(c(-c3cccs3)c1)O[C@H](CN)C2 67726992 XIMRFKOFSGBVOQ-NSHDSACASA-N 245.347 2.986 0 50 BFAA in-vitro CN[C@@]1(c2ccccc2C)CCCCC1=O 71782648 DFZAIVLIQFZJJL-CQSZACIVSA-N 217.312 2.553 0 50 BFAA CC(C)(C)OC(=O)N1CC[C@H](N)c2ccccc21 82318982 SBMGKXNAGCGTTA-NSHDSACASA-N 248.326 2.832 0 50 BFAA Cc1ccc(C)c(-c2ncnc(N)c2C)c1 84026547 SHJHGFFBQDSQLB-UHFFFAOYSA-N 213.284 2.651 0 50 BFAA CC(C)CC(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 101896910 RTEATVNILBCDSE-CYDGBPFRSA-N 223.360 2.973 0 50 BFAA C1CCCC(CCNC2CCNCC2)CC1 199297603 YYUYTKKKOIDEGN-UHFFFAOYSA-N 224.392 2.689 0 50 BFAA Fc1ccc(N2Cc3ccccc3C2)nc1 225820143 XAMUFHUIGSSNJT-UHFFFAOYSA-N 214.243 2.741 0 50 BFAA O=C(NC1CCCCC1)c1cc(O)cc(F)c1 261494492 YWSNYWGJIKNXQV-UHFFFAOYSA-N 237.274 2.594 0 50 BFAA CC(C)(C)c1noc(C2(c3cccnc3)CC2)n1 328594940 GKGILGGZDLEPRN-UHFFFAOYSA-N 243.310 2.842 0 50 BFAA Cc1nn(C(F)F)cc1-c1cccnc1 426597183 GOHJTZDROYPGMJ-UHFFFAOYSA-N 209.199 2.649 0 50 BFAA C=CC(=O)Nc1cccc2c1OC(C)(C)CC2=O 1120461094 IVYJKFMSYFEMGZ-UHFFFAOYSA-N 245.278 2.555 0 50 BFAA CC[C@]12C[C@H]1CN(c1cnc3ccccc3n1)C2 1772808686 YITSHBJSQLXUFC-XHDPSFHLSA-N 239.322 2.866 0 50 BFAA C[C@H](N[C@@H]1C[C@H]1C)c1n[nH]c2ccccc12 2325796537 XBCLBAXIMYLJHP-VDDIYKPWSA-N 215.300 2.622 0 50 BFAA COc1ccc2nc(Cl)c(C=O)cc2c1 58230 TZQOMBXDCIPJKW-UHFFFAOYSA-N 221.643 2.709 0 50 BFAA in-vitro COc1cc(-c2csc(C)n2)ccc1O 367068 NYTLHCVKQWFZCD-UHFFFAOYSA-N 221.281 2.833 0 50 BFAA CCOC(=O)[C@@H](C)Sc1ccccc1 399790 AFQJVOVRMATZLA-SECBINFHSA-N 210.298 2.730 0 50 BFAA CC(C)(C)C(=O)C[C@@](C)(O)c1ccccc1 436886 MJVVTTZERBQOJR-CQSZACIVSA-N 220.312 2.899 0 50 BFAA Clc1cc(NC2CCCCC2)ncn1 551658 LOQWQFMFWLXZIU-UHFFFAOYSA-N 211.696 2.875 0 50 BFAA in-vitro COc1cc(CN2CCC[C@@H](C)C2)cc(OC)c1 759129 GIGVKCKBTWCXIC-GFCCVEGCSA-N 249.354 2.936 0 50 BFAA O=C(O)CCS/C=C/c1ccccc1 2170117 KFDYJVLPKDVZJC-SOFGYWHQSA-N 208.282 2.865 0 50 BFAA CNC(=O)c1cc2c(ccc3ccccc32)o1 4783866 YUQYROVDQRCBPA-UHFFFAOYSA-N 225.247 2.946 0 50 BFAA CCn1c(Cc2ccc(OC)cc2)n[nH]c1=S 5909234 CSMPQKIFNWIWBE-UHFFFAOYSA-N 249.339 2.560 0 50 BFAA CCCCS(=O)(=O)Nc1ccc(F)cc1F 6700018 FCZVDXWMGVZJOC-UHFFFAOYSA-N 249.282 2.507 0 50 BFAA Nc1cc(C(=O)N2CCCCC2)ccc1Cl 9304515 HASRYCYCAUWJKD-UHFFFAOYSA-N 238.718 2.548 0 50 BFAA Cc1noc(-c2ccccc2Br)n1 12370398 NYAFKUCVAVUCHW-UHFFFAOYSA-N 239.072 2.808 0 50 BFAA in-vitro CCOC(=O)Cc1ccc(C(F)(F)F)cc1 15443449 BDVKGYOFECBKDX-UHFFFAOYSA-N 232.201 2.811 0 50 BFAA in-vitro Cc1cc(=O)c2cc(C(F)(F)F)ccc2[nH]1 19721669 JIIFTTKKMVJRLB-UHFFFAOYSA-N 227.185 2.855 0 50 BFAA in-vitro CCn1ccnc1CN(C)C[C@@H]1CC12CCC2 19787460 TZEPCHPLYYCMSB-LBPRGKRZSA-N 233.359 2.525 0 50 BFAA CC[C@@H](CCCOc1ccccc1)C(=O)O 34181896 FXVGIBBWOHNAND-NSHDSACASA-N 222.284 2.956 0 50 BFAA c1cc(CNc2ccc3[nH]nnc3c2)cs1 125147038 XYYDGOVVJHIFTE-UHFFFAOYSA-N 230.296 2.632 0 50 BFAA O=C(O)c1nc2ccccc2cc1Cl 167198819 KFSYXJLUCGGLBK-UHFFFAOYSA-N 207.616 2.586 0 50 BFAA in-vitro CC1(C)C[C@@H]1NC(=O)c1ccc2c(c1)N=S=N2 271965017 VDPUORHPNOFVDO-JTQLQIEISA-N 247.323 2.941 0 50 BFAA Cc1ccc(CN2CC[C@H](O)CC(C)(C)C2)o1 294690240 ACZQLATYQRQBTN-LBPRGKRZSA-N 237.343 2.571 0 50 BFAA O=C(N[C@@H]1CC12CC2)N1CCC[C@H]1C1CCCC1 335131799 YIOYQPRGNRJTKX-QWHCGFSZSA-N 248.370 2.903 0 50 BFAA Cc1n[nH]cc1CN(C)[C@H]1CCC(C)(C)C1 336496985 BTGSZXVXXLAOAT-LBPRGKRZSA-N 221.348 2.729 0 50 BFAA Cc1c(C(=O)N[C@H](C)C2=CCCCC2)ccn1C 426521204 IXWVWTFFEYJACD-LLVKDONJSA-N 246.354 2.952 0 50 BFAA CC(C)(NC(=O)NC1CC2(CCC2)C1)C1CC1 651456486 XZTVTCNAKOHFKH-UHFFFAOYSA-N 236.359 2.807 0 50 BFAA COc1cc(-c2csc(C=O)c2)ccn1 725242456 GUNODHCEVKXCSH-UHFFFAOYSA-N 219.265 2.631 0 50 BFAA CC/C=C\CCCN1CC[C@H](C(C)(C)O)C1 822293516 FMKUTMRWFIWWCE-SZZPACECSA-N 225.376 2.826 0 50 BFAA C=CC(=O)NC(C)(C)c1cccc(Cl)c1 1336724022 KSCJPZYPDKPFEU-UHFFFAOYSA-N 223.703 2.877 0 50 BFAA Clc1ccc(C2[N@]3CCC[N@@]23)c(Cl)c1 1857524621 MHSDNZOIEHWIIL-KBPBESRZSA-N 229.110 2.928 0 50 BFAA CCOc1ccc(C(C)=O)cc1OCC 86210 GYFUKZCPECCHTB-UHFFFAOYSA-N 208.257 2.687 0 50 BFAA in-vitro O[C@H]1C[C@@H](c2ccccc2)NC2(CCCC2)C1 88476 OMBCWYLENQIVBL-KBPBESRZSA-N 231.339 2.785 0 50 BFAA O=C(Nc1cccnc1)c1c(F)cccc1F 128509 HVCHIVMOEVVSIV-UHFFFAOYSA-N 234.205 2.612 0 50 BFAA Nc1nc(-c2cccs2)cc(C(F)(F)F)n1 171334 FEPBAGSLQYJRHA-UHFFFAOYSA-N 245.229 2.806 0 50 BFAA S=C(c1c[nH]c2ccccc12)N1CCCC1 198314 GCHKVHJBPKTOPQ-UHFFFAOYSA-N 230.336 2.939 0 50 BFAA CC(C)NC(=O)Oc1cccc2cccnc12 401864 MYZZZDHUCNJZNM-UHFFFAOYSA-N 230.267 2.732 0 50 BFAA Cc1cc(SCC(=O)O)c2ccccc2n1 523363 ZUTAXTDDKYVASE-UHFFFAOYSA-N 233.292 2.720 0 50 BFAA C[C@@H](CC(=O)Nc1nncs1)c1ccccc1 804764 WTGIKFBKHNYLOG-VIFPVBQESA-N 247.323 2.670 0 50 BFAA O=Cc1ccccc1-c1ccccc1C=O 1570746 HJFGULDHUDIPDA-UHFFFAOYSA-N 210.232 2.979 0 50 BFAA in-vitro CCCCNC(=O)c1ccc(Cl)cc1 1597708 WBKMAVFQCXJDDT-UHFFFAOYSA-N 211.692 2.870 0 50 BFAA Cc1cccc(C)c1OCCCn1ccnc1 2496986 MCCVPDUWEAWMEY-UHFFFAOYSA-N 230.311 2.969 0 50 BFAA Nc1c(Cl)cc(F)cc1Br 2510120 LIBGMUMMWYKJSC-UHFFFAOYSA-N 224.460 2.824 0 50 BFAA biogenic,in-vitro CC(=O)c1ccc(-c2ccc(C(C)=O)o2)o1 2519621 QJAVNNPYOVUAIL-UHFFFAOYSA-N 218.208 2.945 0 50 BFAA c1nc(CCNC2CCCCCCC2)c[nH]1 3683541 YUPZIELICIGPCK-UHFFFAOYSA-N 221.348 2.655 0 50 BFAA CCn1c(C(C)C)nc2cc(N)ccc21 6678469 WEUCMANFVGOTIL-UHFFFAOYSA-N 203.289 2.762 0 50 BFAA Cc1cc(C(=O)Nc2cccc(Cl)c2)on1 6789037 CLAMNYVBHQVLAR-UHFFFAOYSA-N 236.658 2.889 0 50 BFAA CCC(CC)C(=O)Nc1cccc(C(=O)O)c1 7260762 UROVTCQGMDLCEE-UHFFFAOYSA-N 235.283 2.760 0 50 BFAA in-vitro CCSc1nc(C)c(CC(C)C)c(O)n1 16552448 OQGPCNSDOOEUAZ-UHFFFAOYSA-N 226.345 2.801 0 50 BFAA Cc1c(Br)ccc2nn(C)cc12 36533455 CJUCAYMTGYRYEH-UHFFFAOYSA-N 225.089 2.644 0 50 BFAA in-vitro F/C(Br)=C(/F)Br 64370187 HATFLOWGZBUEIE-OWOJBTEDSA-N 221.826 2.842 0 50 BFAA in-vitro Cc1cc(C)n(-c2cccc(-c3ncc[nH]3)c2)n1 67895404 XVUFDXDSDPJRLN-UHFFFAOYSA-N 238.294 2.879 0 50 BFAA Cc1ccccc1CC[C@@H]1CCCN(CCO)C1 72120998 RWMFXSGNSHJGOZ-HNNXBMFYSA-N 247.382 2.632 0 50 BFAA C[C@@H]1CCN(C(=O)OC(C)(C)C)CC1(F)F 95626808 RYCYZQNRKAYABF-MRVPVSSYSA-N 235.274 2.899 0 50 BFAA in-vitro O=C1CC(=O)CC(c2cccc(Cl)c2)C1 100014325 YSNSALYPQQBIDC-UHFFFAOYSA-N 222.671 2.746 0 50 BFAA in-vitro Cc1ccc(C(=O)N2CCCC2(C)C)c(C)n1 170600310 UEZCGMZUOXVLQA-UHFFFAOYSA-N 232.327 2.713 0 50 BFAA CCO[C@@H](C(=O)OC(C)C)c1ccccc1 194867171 RETKFSAQRXGKOQ-GFCCVEGCSA-N 222.284 2.716 0 50 BFAA O=C(C1=CCCC1)N1CCCC12CCC2 336178717 DTTUNNFMRKFIDM-UHFFFAOYSA-N 205.301 2.642 0 50 BFAA C/C(Cl)=C/COC(=O)c1cnccc1C 1875268602 RZPOJJDCBREASN-WTKPLQERSA-N 225.675 2.689 0 50 BFAA COc1ccc(C(=O)N(C)c2ccccc2)cc1 29238 VMXRELIVNJKWRJ-UHFFFAOYSA-N 241.290 2.972 0 50 BFAA O=C(O)C1(c2cccc(F)c2)CCCC1 155784 RLAKVCCLVVITLS-UHFFFAOYSA-N 208.232 2.722 0 50 BFAA in-vitro c1ccc(-c2nc(-c3ccncc3)no2)cc1 238181 KVLYQZJFVKRLHI-UHFFFAOYSA-N 223.235 2.799 0 50 BFAA COc1ccccc1NC(=O)Cc1cccs1 272348 MUJSOOINJUNXNQ-UHFFFAOYSA-N 247.319 2.938 0 50 BFAA C[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 318932 PQIXNGWJDMFPEA-NSHDSACASA-N 235.302 2.627 0 50 BFAA CCC(=O)NC(=S)Nc1ccc(Cl)cc1 341975 GRRMRBMHFVBPNZ-UHFFFAOYSA-N 242.731 2.563 0 50 BFAA CCNC(=O)Nc1ccc(Cl)cc1C 395240 RMHQWFFRSBMVKF-UHFFFAOYSA-N 212.680 2.790 0 50 BFAA COc1ccc(OC)c(NC(=O)OC(C)C)c1 396492 FJPJKWXRSAGMMG-UHFFFAOYSA-N 239.271 2.661 0 50 BFAA O=C(OCCc1ccccc1)c1ccco1 1697411 QKPSYARWSBJEDY-UHFFFAOYSA-N 216.236 2.679 0 50 BFAA endogenous,in-man Clc1ccc(CN2CCSCC2)cc1 4990162 SYIHPUXECHBKQG-UHFFFAOYSA-N 227.760 2.889 0 50 BFAA Cc1noc(C)c1Cc1ccc(C(=O)O)s1 4992772 DJFBZUOJSIVWLI-UHFFFAOYSA-N 237.280 2.642 0 50 BFAA CCC[C@H](C)NC(=O)c1ccc(OC)c(C)c1 9140107 PYQNHXOKTVCWKY-NSHDSACASA-N 235.327 2.922 0 50 BFAA CN(Cc1ccccc1)Cc1nc(C2CC2)no1 12710225 YXMZBUFXLZIGQW-UHFFFAOYSA-N 243.310 2.579 0 50 BFAA Nc1ccc(F)cc1OCc1ccccc1 21955785 CUNIXMCXONNGMG-UHFFFAOYSA-N 217.243 2.987 0 50 BFAA in-vitro COc1c(C)cc(C[C@@H]2CCCCN2)cc1C 32099158 BXCSCSJHYFFWMR-AWEZNQCLSA-N 233.355 2.997 0 50 BFAA in-vitro Cc1noc2cc(Cl)nc(Cl)c12 33835445 HNNVOZJYSIWIJM-UHFFFAOYSA-N 203.028 2.838 0 50 BFAA O=C(O)[C@H]1C[C@H]1c1ccccc1Br 37380945 SJXGNJABBYVEHY-YUMQZZPRSA-N 241.084 2.637 0 50 BFAA in-vitro Fc1ccc(-c2n[nH]cc2Br)cc1 40456601 AZTCXPPINUUHIJ-UHFFFAOYSA-N 241.063 2.978 0 50 BFAA Cc1ccc(F)c(-c2ccc(N)nc2)c1 52886377 MDZIEXYUPXYZGX-UHFFFAOYSA-N 202.232 2.778 0 50 BFAA in-vitro Cc1cccnc1-n1cnc2ccccc21 65409948 FODZUURDQZBRSL-UHFFFAOYSA-N 209.252 2.729 0 50 BFAA Oc1cccc([C@@H](O)c2ccc(F)cc2)c1 75871957 AFIUEJLTADFMAR-ZDUSSCGKSA-N 218.227 2.613 0 50 BFAA COC(=O)c1ccc2ccnc(Cl)c2c1 82766594 SZKDMOYPYAUGPM-UHFFFAOYSA-N 221.643 2.675 0 50 BFAA in-vitro FC(F)(F)c1cnc(Br)s1 95775918 UFZHUWFGWBQZTL-UHFFFAOYSA-N 232.024 2.924 0 50 BFAA in-vitro CCC[C@@H](C)c1nc2cc3[nH]c(=O)[nH]c3cc2[nH]1 97637965 LJMZYRCLAHNZLM-SSDOTTSWSA-N 244.298 2.636 0 50 BFAA COC(=O)c1cc(O)cc(-c2ccccc2)c1 97756991 WVBJYTHKCQRAIE-UHFFFAOYSA-N 228.247 2.846 0 50 BFAA c1ccc(OCc2noc([C@H]3CCCO3)n2)cc1 113706545 WTUBNCJPRWGZHS-LLVKDONJSA-N 246.266 2.500 0 50 BFAA C[C@@H](C(=O)Nc1ccncc1F)c1ccccc1 165326838 CLSBITPACBZERF-SNVBAGLBSA-N 244.269 2.963 0 50 BFAA Cc1nc(C(=O)OCC(C)(C)C)cs1 170621295 NPCWPYCPEDFTJM-UHFFFAOYSA-N 213.302 2.654 0 50 BFAA Cc1cc(CN[C@@H]2CCC23CCCC3)on1 189113339 IWLDMABZMMNTPX-GFCCVEGCSA-N 220.316 2.795 0 50 BFAA CC/C=C(\C)C(=O)OCc1noc(C(C)C)n1 222147724 KPUWAXWSMCJFQO-RMKNXTFCSA-N 238.287 2.593 0 50 BFAA CCO[C@H]1CCCN([C@@H]2C=CCCC2)C1 229733805 UPJYFXCFJJMFNO-OLZOCXBDSA-N 209.333 2.596 0 50 BFAA Cc1cc2c(cc1C)[C@]1(CCO2)C[C@H]1C(=N)O 328602951 DIEGLJBCXNRCPD-FZMZJTMJSA-N 231.295 2.879 0 50 BFAA Cc1ccc(CC(=O)NC2CCC2)c(Cl)c1 336058840 MURWFDLAFNYRSE-UHFFFAOYSA-N 237.730 2.860 0 50 BFAA Cn1cc(-c2ccc(-c3cnco3)s2)cn1 426690734 SFQYRMQYXWRDTC-UHFFFAOYSA-N 231.280 2.804 0 50 BFAA COc1c(C)cnc(CN2C[C@H]3C[C@@]3(C)C2)c1C 1775978545 ABEOMNXBMCMFFX-DOMZBBRYSA-N 246.354 2.549 0 50 BFAA CC1(n2ccnc2[C@@H]2CC=CCC2)CCNCC1 1875248481 SYVZIUNMRNMCOV-CYBMUJFWSA-N 245.370 2.805 0 50 BFAA Cc1ccc(C)c(NC(=O)c2cccnc2)c1 29318 LYVCDJZRPWHQGC-UHFFFAOYSA-N 226.279 2.951 0 50 BFAA CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)O 35735 LLMLSUSAKZVFOA-NJGYIYPDSA-N 209.072 2.662 0 50 BFAA in-vitro Cc1ccc(NC(=O)c2ccccc2N)cc1 150125 ULNAKLMMGXHGJQ-UHFFFAOYSA-N 226.279 2.830 0 50 BFAA in-vitro COc1ccc(NC(=O)OCC(F)(F)F)cc1 245757 BBLOSRZQMXTDJI-UHFFFAOYSA-N 249.188 2.806 0 50 BFAA Cc1ccc([C@@H](C)NC(=O)c2cccnc2)cc1 356926 WYKGFYKQTNUAHP-GFCCVEGCSA-N 240.306 2.881 0 50 BFAA Fc1cc(Br)cc(F)c1F 389544 HKJCELUUIFFSIN-UHFFFAOYSA-N 210.980 2.866 0 50 BFAA biogenic,in-vitro CCOc1ccc2nc(Cl)c(CO)cc2c1 421641 RTHYLIJSULORHP-UHFFFAOYSA-N 237.686 2.779 0 50 BFAA CCCCCCOc1ccccc1C(N)=O 1542919 CKSJXOVLXUMMFF-UHFFFAOYSA-N 221.300 2.745 0 50 BFAA biogenic,world CN1CCC(N[C@H]2CCCc3ccccc32)CC1 2498813 VFZFOACCGQGXNR-INIZCTEOSA-N 244.382 2.748 0 50 BFAA O=Cc1ccc(-c2ccccc2F)nc1 2527558 IUQSIJKUJJSTOO-UHFFFAOYSA-N 201.200 2.700 0 50 BFAA in-vitro CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)O 2555261 CILPHQCEVYJUDN-OUAUKWLOSA-N 214.305 2.548 0 50 BFAA in-vitro O[C@]12CCCC[C@H]1[C@@H](c1ccccc1)NCC2 4137220 NRCWMRBKHVZROJ-ZNMIVQPWSA-N 231.339 2.642 0 50 BFAA biogenic COc1ccc(Br)cc1CN(C)C 5123770 LYFFUJLINWPKAX-UHFFFAOYSA-N 244.132 2.519 0 50 BFAA Cc1ccc(N/C=C2/SC(=O)NC2=O)c(C)c1 5570741 JEZLKIMMYNNJBO-UXBLZVDNSA-N 248.307 2.540 0 50 BFAA CCCCNCc1ccc(OCC)c(OC)c1 7261667 KHMFCMAUCSQKII-UHFFFAOYSA-N 237.343 2.984 0 50 BFAA CC[C@H](C)n1c(CCCO)nc2ccccc21 12949659 QHRSKPBPUWDGHI-NSHDSACASA-N 232.327 2.932 0 50 BFAA C[S@@](=O)c1ccccc1-c1ccc(C=O)cc1 14007628 SCIJKDIZGGPJFV-KRWDZBQOSA-N 244.315 2.904 0 50 BFAA c1ccc(CN2CCN(C3CCCC3)CC2)cc1 19372171 IMSFJZTXXYGAIE-UHFFFAOYSA-N 244.382 2.747 0 50 BFAA Brc1ccc([C@@H]2CCNC2)cc1 19785232 HXTSCISDZDBQEK-SECBINFHSA-N 226.117 2.526 0 50 BFAA in-vitro COc1ccc(NCC(F)(F)F)cc1 20056100 JHQJGUVEMQTBRL-UHFFFAOYSA-N 205.179 2.669 0 50 BFAA in-vitro Nc1ccncc1-c1cccc(-c2cc[nH]n2)c1 20481802 QATLYWOEFNDMHH-UHFFFAOYSA-N 236.278 2.721 0 50 BFAA Clc1ccc2ncc(-c3cn[nH]c3)nc2c1 32537167 VVOZTVIVEYKFFT-UHFFFAOYSA-N 230.658 2.673 0 50 BFAA CCn1cnc2cc(Br)c(F)cc21 65337219 RGJHYJSIEDJFRL-UHFFFAOYSA-N 243.079 2.958 0 50 BFAA in-vitro Clc1ccnc(OCc2ccccc2)n1 115722841 DLRRSUBOERLTHS-UHFFFAOYSA-N 220.659 2.709 0 50 BFAA O=C(Nc1ccc(Cl)nc1)C1[C@@H]2CCC[C@@H]12 178104905 LUBKIUPSYISTMZ-RKDXNWHRSA-N 236.702 2.720 0 50 BFAA CCS[C@H]1CCC[C@H]1Nc1nc(C)ns1 195542711 MWHYCNYMQRYDPW-BDAKNGLRSA-N 243.401 2.933 0 50 BFAA C[C@H](N[C@H](C)[C@@H]1CC1(C)C)C(=O)OC(C)(C)C 225611576 YRVKSCJVCHRCEH-VWYCJHECSA-N 241.375 2.741 0 50 BFAA CC(C)c1onc(C(F)(F)F)c1C(=O)O 232757880 BQNWINHZGMPNSU-UHFFFAOYSA-N 223.150 2.515 0 50 BFAA in-vitro Cc1cnc(Br)cc1OC(F)F 263623294 GGWWCEOVYYHXAE-UHFFFAOYSA-N 238.031 2.754 0 50 BFAA C[C@H]1[C@H](C)C[C@@H](C)CN1c1ncnc2[nH]ccc12 352583905 PGWNJDAAGAZDPE-MXWKQRLJSA-N 244.342 2.829 0 50 BFAA C/C(=C\c1ccccc1)CN1[C@H]2CC[C@H]1COC2 459693891 JGDIAKXNTDSGAX-KYDQQWHWSA-N 243.350 2.953 0 50 BFAA CCCn1nc(CC)nc1-c1cc(O)ccc1F 823033108 PCZPNIXFMCJXBS-UHFFFAOYSA-N 249.289 2.762 0 50 BFAA CCCCC1(C(=O)N[C@@H](C)c2ccnn2C)CC1 828582151 UMQBNANAOVTIBP-NSHDSACASA-N 249.358 2.568 0 50 BFAA CCn1cc(N[C@@H]2CCOC3(CCCC3)C2)cn1 872057902 KEBPGRGCZOYPNU-GFCCVEGCSA-N 249.358 2.807 0 50 BFAA CCCCn1nc(C)cc1NC(=O)c1ccoc1 1506410966 NAKQVBUVWRUKHJ-UHFFFAOYSA-N 247.298 2.837 0 50 BFAA C=CC(=O)NCC[C@@H]1CC[C@H]2C[C@@H]1C2(C)C 1775997647 NUCNFFJLWUPFDR-SRVKXCTJSA-N 221.344 2.751 0 50 BFAA Cc1nc(N2C[C@H]3C[C@]3(C)C2)c2sccc2n1 1800409581 ITDDCTBSZCPYDZ-NOZJJQNGSA-N 245.351 2.846 0 50 BFAA CCc1ccccc1-c1nn(C)cc1C 1875283560 WICAULXHLTVGKE-UHFFFAOYSA-N 200.285 2.958 0 50 BFAA Nc1ccccc1CCc1ccccc1N 243037 ZYHQGITXIJDDKC-UHFFFAOYSA-N 212.296 2.636 0 50 BFAA biogenic CC(=O)C(Cc1ccc(Cl)cc1)C(C)=O 4025022 OUSXQLOQSXXOEC-UHFFFAOYSA-N 224.687 2.677 0 50 BFAA COc1ccc([C@@H](O)c2cccc(F)c2)cc1 4255928 HDWVVRSGQJYZPH-CQSZACIVSA-N 232.254 2.916 0 50 BFAA in-vitro O=C(O)c1ccc(-c2cccc(CO)c2)cc1 16947578 HPXYVZSLBXTFMD-UHFFFAOYSA-N 228.247 2.544 0 50 BFAA in-vitro CC[C@@H]1OC[C@H]2Cc3ccccc3[C@@H]2O1 22339216 GRUQFUUIIULWTC-RAIGVLPGSA-N 204.269 2.683 0 50 BFAA CC1(C)c2cc3ccccc3cc2S1(=O)=O 43214858 JPEHVEKYKMFYEY-UHFFFAOYSA-N 232.304 2.862 0 50 BFAA Cc1c(Br)ccc(C(=O)O)c1C 67802588 SAQVKZFNOGPPCH-UHFFFAOYSA-N 229.073 2.764 0 50 BFAA c1ccc(-c2ccc([C@@H]3CNCCN3)cc2)cc1 89222286 QUINYTMXFWCKTN-INIZCTEOSA-N 238.334 2.588 0 50 BFAA in-vitro COC1CCN(c2ccc(Cl)cc2)CC1 113504943 KNUKICAEIDZTAK-UHFFFAOYSA-N 225.719 2.955 0 50 BFAA CCOCSc1nc(C)c(C)s1 195562344 VDKHWALDYYQGAN-UHFFFAOYSA-N 203.332 2.846 0 50 BFAA Cc1cc(N)c(C)c(Br)c1 215011567 IKZHDRSMCPLBMQ-UHFFFAOYSA-N 200.079 2.648 0 50 BFAA COc1ccc(OC)c(Br)c1F 216947385 WVHSWOXVZZCGQV-UHFFFAOYSA-N 235.052 2.605 0 50 BFAA CCn1cnnc1-c1ccccc1Cl 228232624 OAHFUFKXEZSYNY-UHFFFAOYSA-N 207.664 2.618 0 50 BFAA Cc1cc(-c2ccc3c(c2)CC[C@H](N)C3)ccn1 935617084 IHXWOTYIVWZEKB-INIZCTEOSA-N 238.334 2.873 0 50 BFAA C=CC(=O)N[C@@H](CC)c1ccccc1F 1335287701 PANFBWAHTLLBGJ-NSHDSACASA-N 207.248 2.579 0 50 BFAA CCCn1nccc1/C=C/c1ncncc1C 1616038438 MJVPAJYCAQBSCW-SNAWJCMRSA-N 228.299 2.562 0 50 BFAA Cc1ccc2[nH]cc(CCN(C)C)c2c1 57395 NCGJLYBZSJSCIC-UHFFFAOYSA-N 202.301 2.580 0 50 BFAA in-vitro CC(C)NC(=O)/C=C/c1ccccc1Cl 64052 OGNKHWCGYSSWET-BQYQJAHWSA-N 223.703 2.878 0 50 BFAA O=C(O)c1ccc(-c2ccccc2F)o1 157137 GRMHOKHCKXBRIB-UHFFFAOYSA-N 206.172 2.784 0 50 BFAA in-vitro CC(C)Nc1cc(=O)oc2ccccc12 337355 LJTNJXOQDQAHGN-UHFFFAOYSA-N 203.241 2.613 0 50 BFAA Cc1ccc(NC(=O)c2ccccc2F)nc1 347180 AQRPAURBYNAOOI-UHFFFAOYSA-N 230.242 2.781 0 50 BFAA Cc1ccc(-c2ccc(C(=O)O)o2)cc1 407617 YZDIEQFFXQUBRM-UHFFFAOYSA-N 202.209 2.953 0 50 BFAA biogenic CC[C@H](C)NC(=O)/C=C/c1ccccc1OC 472656 CEIRLNQBZIIRHQ-USKTWTLRSA-N 233.311 2.623 0 50 BFAA COc1ccc([C@@H]2CCCC[C@@H]2O)cc1OC 1431472 WJLUOTSDBABMCM-RYUDHWBXSA-N 236.311 2.722 0 50 BFAA CC(C)C(=O)OCCCc1ccccc1 1687400 VBTAKMZSMFMLGT-UHFFFAOYSA-N 206.285 2.818 0 50 BFAA endogenous,in-man Cc1ccc(F)c(/C=C/C(=O)O)c1Cl 2382034 XURAOUQFLKLYBV-HWKANZROSA-N 214.623 2.885 0 50 BFAA in-vitro CCCCSC[C@H](O)COc1ccccc1 2494068 AOPMMDJCCHLNPJ-GFCCVEGCSA-N 240.368 2.960 0 50 BFAA CC[C@@H](NC(=O)C1CC1)c1ccc(C)cc1 6728663 BJOXZJQBAZPZHS-CYBMUJFWSA-N 217.312 2.972 0 50 BFAA C[C@H](C(=O)O)c1ccc(Br)cc1 19726362 PFDBEACWLCHWRZ-LURJTMIESA-N 229.073 2.637 0 50 BFAA in-vitro Cc1cc(O)c(F)c(Br)c1 42750078 QHVGXKWNWNRIIM-UHFFFAOYSA-N 205.026 2.602 0 50 BFAA in-vitro Cc1cc2ncn(-c3nccnc3C)c2cc1C 65505646 TWAYFZVCAUQREN-UHFFFAOYSA-N 238.294 2.741 0 50 BFAA O=C1N[C@H](c2ccccc2)c2ccccc2O1 91301808 MFDUOPFNWJRTBJ-CYBMUJFWSA-N 225.247 2.878 0 50 BFAA Nc1cc(CC23CC4CC(CC(C4)C2)C3)ncn1 91452394 XNIWFOYXRMQUDM-UHFFFAOYSA-N 243.354 2.818 0 50 BFAA CCOC(=O)/C=C(\C)Nc1ccccc1 100010476 NLGDIRPNWGZGLI-MDZDMXLPSA-N 205.257 2.565 0 50 BFAA in-vitro O=C(c1ccccc1)[C@@H]1CCc2occc2C1=O 100867970 WFEFTPWEVLUTLS-LBPRGKRZSA-N 240.258 2.908 0 50 BFAA NC1(c2c(F)cc(Br)cc2F)CC1 217593081 ZZRLKLAMKWJHEG-UHFFFAOYSA-N 248.070 2.675 0 50 BFAA C=CC(=O)Nc1cc(-c2ccnn2C)ccc1C 408525958 XZDHSLSKGAJTSI-UHFFFAOYSA-N 241.294 2.520 0 50 BFAA CC[C@@H]1CCC(=O)C[C@H]1N1CCCCC1 725362698 VPJWFBJWMPOCKQ-DGCLKSJQSA-N 209.333 2.620 0 50 BFAA C=CC(=O)N[C@H]1c2cccc(F)c2CC[C@H]1C 791380407 QPJRATHUJYSWIM-YMTOWFKASA-N 233.286 2.751 0 50 BFAA CC(C)C[C@@H](C(=O)NC(C)(C)C)n1cccc1 888105084 WPHWNCMETIICGV-LBPRGKRZSA-N 236.359 2.990 0 50 BFAA COc1c(C)cnc(CN2C[C@@H]3C[C@@]3(C)C2)c1C 1775978550 ABEOMNXBMCMFFX-WFASDCNBSA-N 246.354 2.549 0 50 BFAA Nc1cc(F)ccc1CCc1ccc(F)cc1N 394309 OIFIDTSCTHXOAL-UHFFFAOYSA-N 248.276 2.914 0 50 BFAA O=C1COc2ccccc2-c2ccccc21 405133 KLESETVYNCDHFF-UHFFFAOYSA-N 210.232 2.929 0 50 BFAA Cc1ccccc1C(=O)Nc1ccccc1CO 432131 CNUFXBSBBYLDOI-UHFFFAOYSA-N 241.290 2.740 0 50 BFAA CCCCN(C)Cc1ccc(OC)c(OC)c1 4680595 PTIHVTAQFUBWBC-UHFFFAOYSA-N 237.343 2.936 0 50 BFAA Cc1c(Cl)cccc1-n1c(C)nnc1S 6399484 XZMMHJBQJNIIFA-UHFFFAOYSA-N 239.731 2.826 0 50 BFAA O=c1[nH]nc(Cc2ccccc2)c2ccccc12 8671463 JUCCMEHWBGPJKS-UHFFFAOYSA-N 236.274 2.514 0 50 BFAA in-vivo CC(C)c1c(C(=O)O)cnn1-c1ccc(F)cc1 12997603 YHHZVKBRJOQRCC-UHFFFAOYSA-N 248.257 2.833 0 50 BFAA in-vitro Cc1cc(C(=O)NC(C)(C)CC(C)(C)C)no1 16602529 BXLXZTDWPKOMPF-UHFFFAOYSA-N 238.331 2.928 0 50 BFAA Cc1ccc(Br)c2cn(C)nc12 36533451 YPDXDWNYMHERND-UHFFFAOYSA-N 225.089 2.644 0 50 BFAA in-vitro CN1CCCc2[nH]c3ccccc3c2C1 44126026 WGVSPPPAPBTTFU-UHFFFAOYSA-N 200.285 2.546 0 50 BFAA Nc1c(F)cc(Cl)c(F)c1Br 67800011 FXRDXJHTMYXAPR-UHFFFAOYSA-N 242.450 2.963 0 50 BFAA Fc1ccc(CC[C@@H]2CCCNC2)cc1F 71523545 OVSJQTYGUVXGPI-NSHDSACASA-N 225.282 2.897 0 50 BFAA CC1(C)CCC[C@@H]1NCCOCC1CC1 167472183 PWOLAWURWWSRLN-LBPRGKRZSA-N 211.349 2.581 0 50 BFAA Fc1cc(CNc2cnccn2)ccc1Cl 170612165 YQIFVYWPPTWYOO-UHFFFAOYSA-N 237.665 2.881 0 50 BFAA c1cc(-c2ncc(-c3ccncn3)s2)ccn1 221529236 UJEVJUJBSIHOAT-UHFFFAOYSA-N 240.291 2.662 0 50 BFAA Oc1nc(C(F)(F)F)ccc1Br 238681405 GJLNUKUZOFYUJJ-UHFFFAOYSA-N 241.994 2.569 0 50 BFAA CN(CCCCCF)c1cccc(CO)c1 252481712 CQUWWKORHYGXMZ-UHFFFAOYSA-N 225.307 2.755 0 50 BFAA Fc1cccnc1N1CCC[C@@H]1c1cccnc1 335207207 GBVVDDXZGKKJRD-CYBMUJFWSA-N 243.285 2.957 0 50 BFAA C=CC(=O)NC1(c2cccc(C)c2)CCC1 863970175 CJBRWVYWAJFSNN-UHFFFAOYSA-N 215.296 2.676 0 50 BFAA C=CC(=O)N1CCC[C@H](c2ccccc2)C1 863970197 DQAPLXVJYGDWQZ-ZDUSSCGKSA-N 215.296 2.579 0 50 BFAA CCc1c(C)noc1NC(=O)[C@H]1C[C@@H]2C=C[C@H]1C2 1529119057 AYALGPAGQHVYRK-SCVCMEIPSA-N 246.310 2.696 0 50 BFAA C=CC(=O)N[C@H]1C[C@H](C)Cc2cc(OC)ccc21 1776000079 VIUUKYQNZANYFI-YGRLFVJLSA-N 245.322 2.621 0 50 BFAA Nc1c(-c2ccccc2)nc2ccc(Cl)nn12 1857782244 XWRWSYLOFBFQTK-UHFFFAOYSA-N 244.685 2.632 0 50 BFAA O=C(Nc1ccc(F)nc1)N1CC2CCC1CC2 1875256211 NXQRLKKZWIPLFP-UHFFFAOYSA-N 249.289 2.627 0 50 BFAA CC(=O)CC(=O)Nc1cc(Cl)ccc1Cl 87544 HLMZZYYGOKOOTA-UHFFFAOYSA-N 246.093 2.911 0 50 BFAA C[C@@H](c1ccccc1)N1C(=O)OC(C)(C)[C@]1(C)O 90598 VYPJIHOZAOLARI-HZMBPMFUSA-N 249.310 2.687 0 50 BFAA C[C@H](NC(=O)c1ccccc1N)c1ccccc1 150133 KBRHMOXICLSVTL-NSHDSACASA-N 240.306 2.760 0 50 BFAA CCOC(=O)c1c(C)oc2ccc(OC)cc12 281936 JTVBUFPPKSXXJT-UHFFFAOYSA-N 234.251 2.927 0 50 BFAA biogenic Cc1ccnc(NC(=O)Cc2ccc(F)cc2)c1 339765 ZFXWXTGIRSJOSE-UHFFFAOYSA-N 244.269 2.710 0 50 BFAA C[n+]1cccc(-c2cc3ccccc3[nH]2)c1 393231 FBJCAFPXSAFWSL-UHFFFAOYSA-N 209.272 2.659 0 50 BFAA CCc1ccccc1NC(=O)NC(C)C 396813 ZTTGKWUWQVVROB-UHFFFAOYSA-N 206.289 2.779 0 50 BFAA COc1ccc(Br)cc1F 409296 DWNXGZBXFDNKOR-UHFFFAOYSA-N 205.026 2.597 0 50 BFAA biogenic,in-vitro Cc1cc(N)ccc1NC(=O)C(C)(C)C 569964 HBWZMDSVFJVJIL-UHFFFAOYSA-N 206.289 2.562 0 50 BFAA Cc1cc2ccccc2n1CC(=O)NCC(C)C 1643122 XZDHSTZDTPPODL-UHFFFAOYSA-N 244.338 2.722 0 50 BFAA COc1ccc(OC)c([C@H]2CCCC[C@H]2O)c1 1715773 IPBLFABLABBHLF-DGCLKSJQSA-N 236.311 2.722 0 50 BFAA O=C(O)c1cccc(-c2cccc(O)c2)c1 2528944 CTFCUBMVYRSJLK-UHFFFAOYSA-N 214.220 2.757 0 50 BFAA in-vitro C/C(=N/Nc1ccccn1)c1ccccc1 4896515 WXHUBZIYXVZMOG-PTNGSMBKSA-N 211.268 2.918 0 50 BFAA Cc1ccc2c(c1)[C@@H](Cc1ccco1)C(=O)N2 15017675 PVNQAUTYFHMZJJ-GFCCVEGCSA-N 227.263 2.866 0 50 BFAA CCCC(=O)Nc1c(Cl)cccc1C(=O)O 16624187 PXDFKNCEFIIULP-UHFFFAOYSA-N 241.674 2.777 0 50 BFAA Nc1cc(-c2ccc(C(F)(F)F)cc2)no1 20078669 SFBXQIVENKIUIQ-UHFFFAOYSA-N 228.173 2.943 0 50 BFAA in-vitro Cc1ccc(C(=O)O)c(Oc2ccccc2)n1 34628068 GSNZRPQYFQBNNX-UHFFFAOYSA-N 229.235 2.881 0 50 BFAA CCSC[C@@H](C)NCc1cn2ccccc2n1 67654115 BCFREUWIILCNDC-LLVKDONJSA-N 249.383 2.566 0 50 BFAA Nc1cc(F)c(N2CCC(F)(F)CC2)c(F)c1 113368514 AHFPIDCSAWYOJP-UHFFFAOYSA-N 248.223 2.783 0 50 BFAA COC(=O)Nc1cc(OC)ccc1Cl 136240110 KJOPNLSFUHIKBF-UHFFFAOYSA-N 215.636 2.527 0 50 BFAA Cc1cc(F)c(C(=O)O)c(Br)c1 238523624 RYGYAJDEBNPLCW-UHFFFAOYSA-N 233.036 2.595 0 50 BFAA in-vitro Fc1ccc(-c2noc(C3CSC3)n2)cc1 864234648 YJQQBIUSAAZZPT-UHFFFAOYSA-N 236.271 2.706 0 50 BFAA CC(=O)Nc1cccc(C(F)(F)F)c1 71436 HNIPNANLYHXYDE-UHFFFAOYSA-N 203.163 2.664 0 50 BFAA in-vitro O=C1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 170627 BVEFCNSLJKPSEA-OKILXGFUSA-N 229.323 2.773 0 50 BFAA in-vitro C[C@@H]1C[C@@H]1C(=O)NCCc1ccc(Cl)cc1 372126 JLDUFFNPANUXPU-SKDRFNHKSA-N 237.730 2.655 0 50 BFAA C[C@@H](NC1CCCCC1)[C@@H](O)c1ccc(O)cc1 389086 RVCFDYFCYVBHKW-IAQYHMDHSA-N 249.354 2.736 0 50 BFAA Cc1ccc(S(=O)(=O)C(C)(C)C)cc1 399390 BNOXKZIHCOIFLF-UHFFFAOYSA-N 212.314 2.567 0 50 BFAA C[C@H](CN1CCCC[C@@H]1CO)c1ccccc1 4022422 WCNYIXOBJLGHRI-UKRRQHHQSA-N 233.355 2.637 0 50 BFAA O[C@@H](c1cccs1)C(F)(F)C(F)(F)F 4269645 NNDMXHLSCSOUPG-YFKPBYRVSA-N 232.173 2.979 0 50 BFAA NC1(c2ccc(Cl)cc2Cl)CC1 11884861 ZLKHNVROXMHDBX-UHFFFAOYSA-N 202.084 2.941 0 50 BFAA in-vitro CCOC(=O)c1cc2c(s1)CCCC2 12410867 BNSTWYGMSUJOFU-UHFFFAOYSA-N 210.298 2.804 0 50 BFAA in-vitro O=Cc1cc(-c2ccc(Cl)cc2)on1 12958130 TUGDVOPMQBYENX-UHFFFAOYSA-N 207.616 2.808 0 50 BFAA in-vitro O=Cc1ccc(Cl)c(Br)c1 22016804 AKDABJGHOOCVKX-UHFFFAOYSA-N 219.465 2.915 0 50 BFAA in-vitro O=C(O)c1ccc(OCC2CC2)cc1Cl 61848584 FASUFPFYKBHCRC-UHFFFAOYSA-N 226.659 2.827 0 50 BFAA in-vitro C[C@@H](c1cccc(-c2cnccn2)c1)N(C)C 65376556 INEBJDIUZKNDQU-NSHDSACASA-N 227.311 2.766 0 50 BFAA CCC[C@@H]1CN(Cc2ccccc2)C[C@H]1N(C)C 82107328 FVNKZMNRJZASDG-HZPDHXFCSA-N 246.398 2.849 0 50 BFAA Cn1cc(CNc2ccc3scnc3c2)cn1 237687248 FXGSACAOKOMBMO-UHFFFAOYSA-N 244.323 2.642 0 50 BFAA C[C@@H]1C[C@@H]1C(=O)NC[C@H]1CCCc2ccccc21 248497434 KVIKCPVEKZRVPX-KYOSRNDESA-N 243.350 2.879 0 50 BFAA CNC(=O)c1cnc(C=Cc2ccccc2)s1 1857532256 MMBWEOWRAYJIHO-UHFFFAOYSA-N 244.319 2.673 0 50 BFAA CCc1n[nH]cc1NC(=O)Nc1ccccc1 1875344587 MEYCUJKZXLZFAB-UHFFFAOYSA-N 230.271 2.616 0 50 BFAA O=S(=O)(c1ccccc1)c1ccc(F)cc1 40535 MONGUDQJUIVFPI-UHFFFAOYSA-N 236.267 2.659 0 50 BFAA O=S(=O)(Nc1ccccc1)c1cccs1 249412 FHAKHNFPYWASFY-UHFFFAOYSA-N 239.321 2.549 0 50 BFAA Nc1nc2cc3c(cc2s1)CCCC3 402530 HJESYBABQHCPFU-UHFFFAOYSA-N 204.298 2.757 0 50 BFAA CN1CCC(NCc2ccccc2Cl)CC1 757118 AEAANZGNFFGYSV-UHFFFAOYSA-N 238.762 2.524 0 50 BFAA CCCN(Cc1ccncc1)CC1CC1 757262 KCXMOEUDKBZSGD-UHFFFAOYSA-N 204.317 2.704 0 50 BFAA OC1CCC(NC2CCCCCCC2)CC1 757603 OEJCHNQZYZLOGW-UHFFFAOYSA-N 225.376 2.992 0 50 BFAA CC1(C)C[C@@H](NCc2cccs2)CCO1 5025044 MVONHCZOBWSODL-JTQLQIEISA-N 225.357 2.795 0 50 BFAA O=[S@](O)c1cc(Cl)sc1Cl 12408818 IRJLSENDYORLMB-UHFFFAOYSA-N 217.098 2.636 0 50 BFAA C[C@H]1C[C@@H](C)CN(C(=O)COc2ccccc2)C1 12410442 RPIULTSCBJBBEP-BETUJISGSA-N 247.338 2.570 0 50 BFAA Cc1cc(C(=O)Nc2ccc(F)cc2C)no1 13140939 LASCPKIMBSCYAN-UHFFFAOYSA-N 234.230 2.683 0 50 BFAA CCOC(=O)C(C)(C)c1ccc(F)cc1 52233137 AZIDQFWQOZRJFX-UHFFFAOYSA-N 210.248 2.666 0 50 BFAA in-vitro NC[C@@H](c1ccc(F)cc1)N1CCCCCC1 83426018 RWUVPSINUTZQTN-AWEZNQCLSA-N 236.334 2.702 0 50 BFAA c1ccc(C[C@H]2CCCN2Cc2c[nH]cn2)cc1 179901557 WTFJYPNONRORIX-OAHLLOKOSA-N 241.338 2.617 0 50 BFAA Oc1ccc(OC2CCCC2)c(F)c1F 261494455 YCJUKVONSGZJGR-UHFFFAOYSA-N 214.211 2.992 0 50 BFAA Cc1cc(OC(F)F)c(Br)cn1 263624671 SMTZBOGOHLLQFI-UHFFFAOYSA-N 238.031 2.754 0 50 BFAA CCCCn1nc(C)nc1-c1n[nH]c(CC)c1C 952978831 FQGKAIZRHJULIS-UHFFFAOYSA-N 247.346 2.648 0 50 BFAA CC[C@@H](C)c1nnc2n1CC(C)(C)CC2 1616038930 OZUKEIVRLFPNIG-SECBINFHSA-N 207.321 2.764 0 50 BFAA O=C(O)[C@@H]1C[C@@H]1[C@H]1C[C@@H]1c1ccc(F)cc1 1775965112 DHRFICORGRNPPF-WRWGMCAJSA-N 220.243 2.650 0 50 BFAA Cc1cc(-c2nccn2C[C@H]2CCOC2)oc1C 1875248193 CBDOPDCRARUNIF-GFCCVEGCSA-N 246.310 2.796 0 50 BFAA CC1CCC(N(C)C2CCN(C)CC2)CC1 220343 UNGSXOFOIPTNPS-UHFFFAOYSA-N 224.392 2.591 0 50 BFAA COc1ccc(C(=O)O)c2ccccc12 240845 WRQHSQDGYYDRMX-UHFFFAOYSA-N 202.209 2.547 0 50 BFAA in-vitro CN1c2ccccc2N(C)C1c1ccco1 330183 LHOWBYRIBZUJDM-UHFFFAOYSA-N 214.268 2.864 0 50 BFAA Cc1ccc([C@@H](O)C(=O)c2ccccc2)cc1 393404 ZCXVYFZJKVHMJO-OAHLLOKOSA-N 226.275 2.911 0 50 BFAA CC(=O)c1c2c(cc3c1CCC3)CCC2 1855442 LXEFIXBOEISQEM-UHFFFAOYSA-N 200.281 2.867 0 50 BFAA CCCNC(=O)Nc1ccccc1Cl 2161688 GQBSGNIQFNLAGT-UHFFFAOYSA-N 212.680 2.872 0 50 BFAA Nc1nc(COc2ccc(Cl)cc2)cs1 3885541 ITWPIFDUTSFMLN-UHFFFAOYSA-N 240.715 2.958 0 50 BFAA O=C(O)CCCC(=O)c1ccc(F)c(Cl)c1 4242544 PMVIWNOQXCRBGZ-UHFFFAOYSA-N 244.649 2.917 0 50 BFAA COc1ccc(C(=O)NCCC(C)C)cc1C 9140103 XSYJCNWLHNKTKU-UHFFFAOYSA-N 235.327 2.780 0 50 BFAA CCC(=O)Nc1nc(-c2cccc(N)c2)cs1 12860997 DFCCBSWMMGLBOI-UHFFFAOYSA-N 247.323 2.741 0 50 BFAA O=C(O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F 20392474 SHCKKENSUDTLMS-YUMQZZPRSA-N 230.185 2.894 0 50 BFAA in-vitro N#CNc1nccc(-c2cc3ccccc3o2)n1 32101197 IXISYKCAJZOASX-UHFFFAOYSA-N 236.234 2.783 0 50 BFAA CN1CCCC[C@H]1Cc1ncnc2ccsc12 91441168 QBFHXGHUSAAAJZ-JTQLQIEISA-N 247.367 2.718 0 50 BFAA C[C@@H]1C(=O)N(C)c2cc(Br)ccc21 107253903 MXPJGXFVNXAQDK-LURJTMIESA-N 240.100 2.529 0 50 BFAA O=C(O)c1ncc(-c2cccc(Cl)c2)cc1O 117533796 KMZAXKDGIXGPOF-UHFFFAOYSA-N 249.653 2.806 0 50 BFAA Oc1c(Cl)ccc(F)c1Br 216178645 DKHIZFLKCWAZHE-UHFFFAOYSA-N 225.444 2.947 0 50 BFAA Cc1ccc([C@]2(O)[C@H]3[C@H]4[C@@H]5C[C@@H]6[C@H]4[C@H]2[C@H]6[C@@H]53)cc1 248118486 WHYBBQKFUVQAIC-FHZOHEHISA-N 238.330 2.570 0 50 BFAA C[C@@H]1CC(C)(C)C[C@@H]1NC[C@H]1CC[C@H](O)C1 248884282 UARBQQOSYIAMLY-VOAKCMCISA-N 225.376 2.562 0 50 BFAA c1ccc(Nc2nc([C@H]3CCOC3)cs2)nc1 273841129 GCWJAACWIZXSID-VIFPVBQESA-N 247.323 2.786 0 50 BFAA C[C@@H]1C[C@H]1C(=O)N[C@H]1CCSc2ccccc21 302056386 UFXJEABLPVHYGD-JLLWLGSASA-N 247.363 2.996 0 50 BFAA C1COC[C@@H](N[C@H]2CCCC23CCCC3)C1 328061254 BNGBAEXONFHZLQ-STQMWFEESA-N 223.360 2.868 0 50 BFAA O=C(N1CCCCCC1)C1(CF)CCC1 335636727 UPFUAECTNRMOHZ-UHFFFAOYSA-N 213.296 2.529 0 50 BFAA Cc1nc2c(s1)N(Cc1cc[nH]n1)CCCC2 1776005456 FMEDVUVEVQMVQT-UHFFFAOYSA-N 248.355 2.518 0 50 BFAA CCOC(=O)c1sc2cccc(F)c2c1N 111034 NDCOPHDDFKYFJF-UHFFFAOYSA-N 239.271 2.799 0 50 BFAA C[C@@H]1CC(C)(C)O[C@@H](C(C)(C)CN(C)C)O1 171820 ISIJXVZVUKMGND-MNOVXSKESA-N 229.364 2.504 0 50 BFAA biogenic CC(=O)CC(=O)Nc1ccccc1C(C)C 449281 JJMZZMAAAZGTIJ-UHFFFAOYSA-N 219.284 2.728 0 50 BFAA CCC(CC)C(=O)Nc1ccc(C(=O)OC)cc1 449763 HAAZZZDBSZOJQX-UHFFFAOYSA-N 249.310 2.848 0 50 BFAA OCc1ccccc1CCc1ccccc1 1632655 CPZRYQJPVUJHOS-UHFFFAOYSA-N 212.292 2.964 0 50 BFAA O=C1C(=O)N(c2ccccc2)c2ccccc21 1657403 UWCPWBIMRYXUOU-UHFFFAOYSA-N 223.231 2.548 0 50 BFAA biogenic,in-vivo CCN(CC)CCCOc1ccccc1F 2497098 SMSQYMVBIIOJFU-UHFFFAOYSA-N 225.307 2.936 0 50 BFAA Cc1cccc([C@]2(O)C[C@@H](C)N(C)C[C@@H]2C)c1 3010184 NQXBVFUTBSOOME-GUTXKFCHSA-N 233.355 2.543 0 50 BFAA CC(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 4529974 HDEIBESKFFIEPU-KPOGDXOBSA-N 221.344 2.727 0 50 BFAA CC[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(C)cc1 13001583 AORSHQLOSLDSTP-VXGBXAGGSA-N 235.327 2.677 0 50 BFAA Nc1c[nH]nc1-c1ccc(Cl)cc1Cl 16677905 HNNJZILWHYSZMW-UHFFFAOYSA-N 228.082 2.966 0 50 BFAA C[C@@H](CCO)NCCC1CCCCCC1 20454828 YORMVZMTYRFDRS-LBPRGKRZSA-N 213.365 2.707 0 50 BFAA CCOC(=O)CC(F)(F)c1ccccc1 34612602 XKQCTMJHHLZIRA-UHFFFAOYSA-N 214.211 2.732 0 50 BFAA COc1cccc(OCCc2nccs2)c1 82092747 ITLKGUSMFGODBH-UHFFFAOYSA-N 235.308 2.773 0 50 BFAA CCOC(=O)c1cc(Cl)c(F)cc1F 89064476 KLOWKADDOFKRKP-UHFFFAOYSA-N 220.602 2.795 0 50 BFAA COc1ccc(-c2nccn2C)c2cccnc12 96161165 STDJPJRSXUHJNO-UHFFFAOYSA-N 239.278 2.644 0 50 BFAA O=Cc1c(F)ccc(F)c1C(F)(F)F 138849079 YHZNQWFNGNKWFE-UHFFFAOYSA-N 210.101 2.796 0 50 BFAA Cc1ccc(F)cc1-c1noc(C)c1C(=O)O 235820088 SXOVQGLQEBHGCQ-UHFFFAOYSA-N 235.214 2.796 0 50 BFAA C1CN(c2nc(C3CC3)ns2)C2(C1)CCC2 336458651 NYRFXYYRMMDHEL-UHFFFAOYSA-N 235.356 2.938 0 50 BFAA CC(C)[C@H](NC(=O)c1ccc[nH]1)c1cccnc1 534674646 PKHHOJGJFODJCY-ZDUSSCGKSA-N 243.310 2.537 0 50 BFAA c1cc(N=c2cc[nH]cc2)c2ccncc2c1 1173882813 VMMFONIWMWWARC-UHFFFAOYSA-N 221.263 2.795 0 50 BFAA C[C@H](N=c1cc[nH]cc1F)C1=CCCCC1 1529190118 FFJHQPWBQKXXIG-JTQLQIEISA-N 220.291 2.943 0 50 BFAA CCc1nc(CN[C@H](C)c2ccncc2C)co1 1875284717 IWCBYNMLIAQTEY-LLVKDONJSA-N 245.326 2.791 0 50 BFAA c1cc(-c2nccn2C2CC2)n2nccc2c1 1940197225 AMHUMQUGXHULJH-UHFFFAOYSA-N 224.267 2.533 0 50 BFAA CCOc1ccc(Br)cc1C=O 148568 NFCBVQSSJAXEJD-UHFFFAOYSA-N 229.073 2.660 0 50 BFAA in-vitro Nc1cc(-c2ccccc2)ccc1C(=O)O 198649 PJFIQJMFRCTVSX-UHFFFAOYSA-N 213.236 2.634 0 50 BFAA CCN(CC)Sc1nc2ccccc2[nH]1 236968 JRKZUFDXDDASRT-UHFFFAOYSA-N 221.329 2.912 0 50 BFAA Cc1cc(C)c(C)c(OCCn2ccnc2)c1 431607 DSKKGRGVRYMTNJ-UHFFFAOYSA-N 230.311 2.887 0 50 BFAA O=C(CSc1ccc(Cl)cc1)NC1CC1 452467 TUXHSCFCNICOGC-UHFFFAOYSA-N 241.743 2.711 0 50 BFAA CC1CCN(CCC(=O)c2cccc(O)c2)CC1 1598706 XOISUECXTNMJRL-UHFFFAOYSA-N 247.338 2.697 0 50 BFAA CC(C)Oc1cccc(C(=O)CCC(=O)O)c1 4267187 SEQQFJKVUMGWRM-UHFFFAOYSA-N 236.267 2.521 0 50 BFAA Cn1nc(-c2ccccc2)c(O)cc1=S 6557160 DPSXSFFVYZBGGF-UHFFFAOYSA-N 218.281 2.522 0 50 BFAA CCOC(=O)c1cc(-c2ccc(OC)cc2)on1 15442930 OHKWTCCYUHOKLC-UHFFFAOYSA-N 247.250 2.527 0 50 BFAA in-vitro CCCOc1cccc(CNC2CC2)c1 20924971 KTZUMNHWYAODFK-UHFFFAOYSA-N 205.301 2.727 0 50 BFAA N#CN(Cc1ccccc1)c1ccccn1 34616952 XCPMZMUTHQUPSF-UHFFFAOYSA-N 209.252 2.569 0 50 BFAA Cc1cccnc1N(C)C(=O)OC(C)(C)C 38537703 BPUKNLSIBNNSDN-UHFFFAOYSA-N 222.288 2.761 0 50 BFAA in-vitro O=C1CC[C@H]2[C@H]1C=CC21SCCCS1 45072263 VLGFSYYRLIRPBV-BDAKNGLRSA-N 226.366 2.718 0 50 BFAA CCCCCN[C@H](C(=O)O)c1ccccc1 50509092 LLLVXYGATGWKGR-LBPRGKRZSA-N 221.300 2.592 0 50 BFAA Cc1nc(C)c(-c2ccccc2CO)s1 65531695 BRZKXYGTTVPKKT-UHFFFAOYSA-N 219.309 2.919 0 50 BFAA CC(C)=CC(=O)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 239869279 CXYGHHKYZADZHP-XHJNMGKDSA-N 233.355 2.894 0 50 BFAA O[C@]12Cc3ccccc3[C@@H]3[C@H](c4ccccc41)[C@@H]32 247704983 CWPZWBPNJQBXLL-YYIAUSFCSA-N 234.298 2.941 0 50 BFAA Cc1ccccc1C(=O)N1CCC[C@@H]1CF 294117129 PIRWYKHBYBCBDY-LLVKDONJSA-N 221.275 2.569 0 50 BFAA Cc1cccc(-c2cnc3nnc(C)n3c2)c1C 426433719 YAHDBUMUVBCFHL-UHFFFAOYSA-N 238.294 2.717 0 50 BFAA CC(C)Cn1ccc2c(OCC(=O)O)cccc21 575440936 KXTQEYLSGDBJPA-UHFFFAOYSA-N 247.294 2.761 0 50 BFAA C=CC(=O)Nc1ccc2c(c1)[C@H](O)CCCC2 1776003404 NKNQMFANDYPVFS-CYBMUJFWSA-N 231.295 2.571 0 50 BFAA CCC(=O)C[C@@](O)(c1ccccc1)C(F)(F)F 51215 QCVZPLFWQXHAKD-LLVKDONJSA-N 246.228 2.806 0 50 BFAA O[C@@H](C1CCCCC1)[C@@H](O)C1CCCCC1 388521 CKHLARJSOMXDKL-KBPBESRZSA-N 226.360 2.869 0 50 BFAA CN1CC[C@](O)(c2ccccc2)[C@H]2CCCC[C@H]21 1227298 KKGRMEVELZFAQV-XHSDSOJGSA-N 245.366 2.769 0 50 BFAA CCC1(CC)NC(=S)N(c2ccc(C)cc2)N1 1307230 JHSBBGCQTBTCKK-UHFFFAOYSA-N 249.383 2.710 0 50 BFAA CC(C)=CCC[C@@H](C)NCCCN(C)C 2090219 VKIPACQPVYNORN-CYBMUJFWSA-N 212.381 2.663 0 50 BFAA biogenic CCCCC(=O)NCCc1ccc(F)cc1 4814258 ZRLDRUBDHWBLKK-UHFFFAOYSA-N 223.291 2.675 0 50 BFAA Cc1cc(O)c2c3c(c(=O)oc2c1)CCCC3 6521480 KAIMSUNJCRGFPE-UHFFFAOYSA-N 230.263 2.686 0 50 BFAA biogenic S=c1sc(S)nn1-c1ccccc1 12402975 JRFUIXXCQSIOEB-UHFFFAOYSA-N 226.351 2.952 0 50 BFAA in-vitro COc1cc(N)c(Cl)cc1Br 34363585 POEPONDACHYKKW-UHFFFAOYSA-N 236.496 2.693 0 50 BFAA COC(=O)c1c(C)ccc(Br)c1C 39403559 PAAMRJWZTZAXAO-UHFFFAOYSA-N 243.100 2.853 0 50 BFAA Clc1ncnc2c1CN(Cc1ccccc1)C2 44831704 KHHHSELDDQTJGM-UHFFFAOYSA-N 245.713 2.646 0 50 BFAA Nc1c(Br)cc(F)c(F)c1Cl 67794657 JBCJSSVKCJZWAW-UHFFFAOYSA-N 242.450 2.963 0 50 BFAA O=C(Nc1ccccc1F)NC1(Cl)CC1 71778285 URPYXQGVEQYFJF-UHFFFAOYSA-N 228.654 2.676 0 50 BFAA COc1ccc(-c2cnc(N)cc2C)cc1OC 82730119 DRZWTUSHNMPLGH-UHFFFAOYSA-N 244.294 2.656 0 50 BFAA Cc1ccc(CNC(=O)[C@H]2CC2(C)C)c(C)c1 119159330 OUQVZOJVQPCCMZ-CYBMUJFWSA-N 231.339 2.966 0 50 BFAA CC(C)(C)OC(=O)C(C)(C)c1ccc(N)cc1 168369817 IUZXJBQHOONERY-UHFFFAOYSA-N 235.327 2.888 0 50 BFAA Fc1ccc2[nH]cc(CN3CCCC3)c2c1 169677481 VPUITDNGMHUWTP-UHFFFAOYSA-N 218.275 2.903 0 50 BFAA Cc1cc(Br)cc2c1[C@H](N)CC2 238463293 LWCGGULSLSMPSO-SECBINFHSA-N 226.117 2.704 0 50 BFAA O=C(C1C[C@H]2CCC[C@H](C1)C2)N1CC2(CC2)C1 334874056 RRRWYTDQIBDJPB-RYUDHWBXSA-N 233.355 2.825 0 50 BFAA CCc1cccc2c(F)c(C(=O)N3CCC3)[nH]c12 2325776310 SFRNMKPEJUUXEL-UHFFFAOYSA-N 246.285 2.715 0 50 BFAA Cc1ccc(C(=O)NCC2CC2)c2cccnc12 2325789659 DEPSZDAAGHOPAP-UHFFFAOYSA-N 240.306 2.683 0 50 BFAA CCOc1ccccc1C(=O)Nc1ccccn1 259026 UTONUSPULUXBBQ-UHFFFAOYSA-N 242.278 2.733 0 50 BFAA Cc1cc(=S)n(-c2ccccc2)n1C 270761 BKHQZVDOSQVERW-UHFFFAOYSA-N 204.298 2.854 0 50 BFAA COC(=O)c1c(-c2cccs2)csc1N 355363 YTPWWVXUJXQDMK-UHFFFAOYSA-N 239.321 2.845 0 50 BFAA in-vitro Cc1cc(NC(=O)c2ccccc2C)no1 369261 PBFHGZGRUXKWJJ-UHFFFAOYSA-N 216.240 2.544 0 50 BFAA CCS(=O)(=O)Nc1ccc(C(C)C)cc1 994058 MEIJKVKQUGGPCO-UHFFFAOYSA-N 227.329 2.572 0 50 BFAA CCCCN(C(=O)[C@H]1CCCO1)c1ccccc1 4868209 QSNLLCFMSBUQLM-CQSZACIVSA-N 247.338 2.999 0 50 BFAA Cc1ccc(NC(=O)C2CCCC2)c(N)c1 8703513 AOUYVPCKYLWCHY-UHFFFAOYSA-N 218.300 2.706 0 50 BFAA in-vitro Clc1ccccc1OC[C@H]1CCCNC1 14628572 GWRAZMJUSPPNOH-JTQLQIEISA-N 225.719 2.718 0 50 BFAA in-vitro CCC[C@H](C)NC(=O)c1cccc(F)c1 42141274 ZMFXSLZCTHGXQQ-VIFPVBQESA-N 209.264 2.744 0 50 BFAA O=C(O)c1cc(Br)cc2cc[nH]c12 43220657 VZYDZTIPNOBVNC-UHFFFAOYSA-N 240.056 2.629 0 50 BFAA in-vitro CC1(C)COC(c2cc(F)c(F)cc2F)=N1 71603290 QNTYWFRSDUCLRD-UHFFFAOYSA-N 229.201 2.659 0 50 BFAA C[C@H](O)c1c(F)cc(Br)cc1F 75852784 UTNQRIXFILAHIG-BYPYZUCNSA-N 237.043 2.781 0 50 BFAA in-vitro COCCC[C@@H]1CCCCN1Cc1cccnc1 77354469 CHSSNNNUUJITJH-HNNXBMFYSA-N 248.370 2.863 0 50 BFAA Cn1cc(CNc2cc(F)cc(Cl)c2)cn1 128380857 NASLXJDWWZXPDL-UHFFFAOYSA-N 239.681 2.825 0 50 BFAA O=Cc1ccc(-c2ccc(C(=O)O)o2)cc1F 725261040 ILAXRIKXBMRBKE-UHFFFAOYSA-N 234.182 2.596 0 50 BFAA C=CC(=O)N[C@@H]1c2cccc(F)c2CC[C@@H]1C 791380406 QPJRATHUJYSWIM-XPTSAGLGSA-N 233.286 2.751 0 50 BFAA CCCn1nc(C)c(NC(=O)c2ccoc2)c1C 1506421729 UPOYNFLRZGQVDL-UHFFFAOYSA-N 247.298 2.755 0 50 BFAA Cc1ccn(Cc2nc([C@H](C)C3(C)CC3)no2)n1 1616034421 FOSMTBASZMBWNT-JTQLQIEISA-N 246.314 2.526 0 50 BFAA c1coc(-c2nccn2[C@@H]2CCSC2)c1 1875247931 VKVPFMVLHNCPEH-SECBINFHSA-N 220.297 2.821 0 50 BFAA C[C@H](N[C@H]1CCc2cc(O)ccc2C1)[C@@H]1C[C@H]1C 2325888013 NFJGZAWFAXGKIW-PSHZPRKYSA-N 245.366 2.884 0 50 BFAA O[C@@H](c1ccccc1)c1nc2ccccc2[nH]1 43866 JEAWPIKEEQZLJQ-ZDUSSCGKSA-N 224.263 2.645 0 50 BFAA in-vitro CCN(Cc1ccccc1)C1CCN(C)CC1 181937 MKHUYGWYTBXICL-UHFFFAOYSA-N 232.371 2.603 0 50 BFAA COc1cccc(NC(=O)c2ccc(C)o2)c1 473315 DIQAQPUUNLVGEL-UHFFFAOYSA-N 231.251 2.849 0 50 BFAA Nc1nc(-c2cc(Cl)ccc2O)cs1 2533983 GEOOPKWUGRNKDU-UHFFFAOYSA-N 226.688 2.751 0 50 BFAA in-vitro Fc1ccc2[nH]c3c(Cl)ncnc3c2c1 5997798 JJDNZPROOPECEV-UHFFFAOYSA-N 221.622 2.904 0 50 BFAA in-vitro O=C(OCc1cnc(Cl)s1)c1ccco1 6221990 JWRIHIVOVFLPPQ-UHFFFAOYSA-N 243.671 2.747 0 50 BFAA CCCNC(=O)[C@@H](C)Oc1ccccc1Cl 13709892 HJYWVOBXHYRJGC-SECBINFHSA-N 241.718 2.634 0 50 BFAA COc1ccc(OC(F)(F)F)cc1C(C)=O 15442993 DQIRVWICHOCGCY-UHFFFAOYSA-N 234.173 2.796 0 50 BFAA FC(F)(F)c1ccc(NC[C@@H]2CCCO2)nc1 20638730 YUYLJMGMJXZHSV-VIFPVBQESA-N 246.232 2.691 0 50 BFAA CCOCC(=O)N[C@@H](C)c1cc(C)ccc1C 67804559 OMAFAOOSTBIZPM-LBPRGKRZSA-N 235.327 2.517 0 50 BFAA C[C@H]1Oc2ccccc2C[C@H]1N1CCCCC1 95918235 UVTDDEOHIXVKQH-TZMCWYRMSA-N 231.339 2.865 0 50 BFAA Nc1ncc(Br)c(Cl)c1Cl 143520436 BBYPUQDFQKZHNW-UHFFFAOYSA-N 241.903 2.733 0 50 BFAA CC1=CCC[C@@H](C)[C@H]1CN1[C@H]2CC[C@H]1CC(O)C2 249082022 LSGBABGPNBPZEW-HOSILWTGSA-N 249.398 2.967 0 50 BFAA Cc1cc(C(=O)N2CCCC[C@H]2C)c(C)n1C 298271260 JKCNDFSCBRBMJX-SNVBAGLBSA-N 234.343 2.657 0 50 BFAA F[C@@H]1CCCC[C@H]1NCc1cncs1 306152130 ABOCRPIJPKLTGC-NXEZZACHSA-N 214.309 2.513 0 50 BFAA c1nnc(-c2nc([C@@H]3C[C@H]4CC[C@H]3C4)cs2)[nH]1 314586132 AZWUZHKHZDYTBC-XHNCKOQMSA-N 246.339 2.832 0 50 BFAA CC1(C)CCC(S(=O)(=O)CC2CC2)CC1 335872325 DZZUNHQMOHMINJ-UHFFFAOYSA-N 230.373 2.780 0 50 BFAA c1c[nH]c(CN2CC[C@@H](C3CCCCC3)C2)n1 661578897 SPIHNLXCUPRIJU-CYBMUJFWSA-N 233.359 2.812 0 50 BFAA O=C(O)C12CCC(c3ccccc3)(C1)C2 950756030 BYDRCVXIQZGOAB-UHFFFAOYSA-N 202.253 2.583 0 50 BFAA Cc1nc[nH]c1CNCCCc1ccccc1F 952979427 SWNRKUSKKDNSHM-UHFFFAOYSA-N 247.317 2.580 0 50 BFAA CCn1nc(C)nc1-c1cc(C)c(OC)c(C)c1 1506410007 CGMXATSRVIJSNB-UHFFFAOYSA-N 245.326 2.899 0 50 BFAA Cc1n[nH]cc1NC(=O)Cc1cccc(Cl)c1 1875253891 YSMRCXUJRFLNNU-UHFFFAOYSA-N 249.701 2.553 0 50 BFAA COc1ccc(C)cc1NC(=O)c1ccco1 335573 SGXDERZOICYLDN-UHFFFAOYSA-N 231.251 2.849 0 50 BFAA CC1=NN(c2ccccc2)C(=O)C1(Cl)Cl 381044 UJFNZIVFAMOQEI-UHFFFAOYSA-N 243.093 2.583 0 50 BFAA CCN(CC)C(=O)c1ccc(C)cc1C 2003018 YQCGAQBECDYQFQ-UHFFFAOYSA-N 205.301 2.785 0 50 BFAA CCCCN(C)C(=O)Nc1ccccc1 2170958 GRSHVAMFUWCDMY-UHFFFAOYSA-N 206.289 2.950 0 50 BFAA O[C@H](c1ccco1)C(F)(F)C(F)(F)F 2528677 FQPMLAVDXFSOFL-RXMQYKEDSA-N 216.105 2.511 0 50 BFAA CCCOc1ccc(CCN)cc1Cl 2571621 WTNDKAJSVUCNFA-UHFFFAOYSA-N 213.708 2.630 0 50 BFAA CCC[C@@H](C)NC(=O)Cc1cccs1 5591416 ZXPQCEHCWKUNSL-SECBINFHSA-N 211.330 2.595 0 50 BFAA O=C1OCCN1c1ccc(C(F)(F)F)cc1 8716947 MMGBVKMXTVGNAV-UHFFFAOYSA-N 231.173 2.662 0 50 BFAA Clc1cc(Br)c2[nH]ncc2c1 16125214 CTXAUTRSBNWONT-UHFFFAOYSA-N 231.480 2.979 0 50 BFAA in-vitro CC(C)=CCC[C@@H](C)CN1CCOCC1 23281715 RTRUDLYNOVLLPF-CYBMUJFWSA-N 211.349 2.701 0 50 BFAA COc1ccc(-c2ccccc2C(N)=O)cc1F 32541062 UBDABIFVFYRPSW-UHFFFAOYSA-N 245.253 2.600 0 50 BFAA CCc1cc2c(NC3CC3)ncnc2s1 33078220 PPKCOAPEZNTVSG-UHFFFAOYSA-N 219.313 2.828 0 50 BFAA O[C@H](c1ccc(Br)cc1)C(F)F 34777529 MACLWDXHRYFAPX-SSDOTTSWSA-N 237.043 2.748 0 50 BFAA COC(=O)c1c(Cl)ccc(F)c1Cl 47202322 AWWDMXMLVCNBJE-UHFFFAOYSA-N 223.030 2.919 0 50 BFAA CCOC(=O)CC1CCC(F)(F)CC1 95763999 GZWGGXBBJGJHBC-UHFFFAOYSA-N 206.232 2.765 0 50 BFAA in-vitro CCOC(=O)c1[nH]cc2c1[C@H]1C=C[C@H]2CC1 100335439 YIJOASXMXJOMPB-IUCAKERBSA-N 217.268 2.722 0 50 BFAA O=C(NC/C=C/c1ccccc1)c1cscn1 112584479 FCOWVSIHJNDZDG-QPJJXVBHSA-N 244.319 2.586 0 50 BFAA COC(=O)c1c(Cl)ccc(F)c1C 165772309 XSIQLKKLCBHNJS-UHFFFAOYSA-N 202.612 2.574 0 50 BFAA C[Si](C)(C)C(F)(F)Br 169806108 WDZVWBWAUSUTTO-UHFFFAOYSA-N 203.102 2.852 0 50 BFAA in-vitro C[C@@H]1CC[C@@H](O)[C@@H](OCc2ccccc2)C1 222152828 WLKXDBANPPQFNX-BNOWGMLFSA-N 220.312 2.753 0 50 BFAA CCC(=O)Nc1c(OC)ccc2c1CCC2 225388860 NIWJOVCXJYYOPZ-UHFFFAOYSA-N 219.284 2.532 0 50 BFAA CCCC[C@H](C)C(=O)NCCc1ccc(C)nc1 225734147 SQYOABZYDGFGII-LBPRGKRZSA-N 248.370 2.875 0 50 BFAA O[C@H]1CC[C@H](N[C@H]2CCc3ccccc32)CC1 252732619 WBECHZQDNHYIKX-YDHLFZDLSA-N 231.339 2.567 0 50 BFAA O=C([C@H]1CC2CCC1CC2)N1CCC12CCC2 334346489 WDDNSJRRHDFWCB-BPCQOVAHSA-N 233.355 2.968 0 50 BFAA COc1ncccc1-c1nc(C)ncc1C(C)C 426544698 IXHPHSUYSDVKQN-UHFFFAOYSA-N 243.310 2.979 0 50 BFAA Cc1cc2c[nH]nc2cc1[C@@H]1CCN[C@H](C)C1 757216392 ZUNLHOGMBHEDPC-GHMZBOCLSA-N 229.327 2.727 0 50 BFAA C[C@]1(NC(=O)C23CC(C2)C3)C[C@@H]1c1ccccc1 2325770135 HWWOMIIBPRXTJC-QXEJQSKISA-N 241.334 2.849 0 50 BFAA O=C(NCc1ccccc1)c1cccnc1Cl 163422 XSXUVPQJEQBSSO-UHFFFAOYSA-N 246.697 2.665 0 50 BFAA CO[C@@H]1CCCC[C@@H]1NCCc1ccccc1 294252 NAMQJTJLKSDSAA-LSDHHAIUSA-N 233.355 2.776 0 50 BFAA CCN(CC)C(=O)Nc1ccc(C)cc1 396202 OPBIREAJBRDHDZ-UHFFFAOYSA-N 206.289 2.869 0 50 BFAA COc1ccc([C@@H](O)Cc2ccccc2)cc1 402303 LZGPSZXEKATVDE-HNNXBMFYSA-N 228.291 2.971 0 50 BFAA Cc1ccc(NC(=O)c2ccccc2O)cc1 1440600 QMLRNTPTRWMCOP-UHFFFAOYSA-N 227.263 2.953 0 50 BFAA CCSCc1ccccc1OC(=O)NC 2011298 HEZNVIYQEUHLNI-UHFFFAOYSA-N 225.313 2.658 0 50 BFAA endogenous,in-man CCc1ccc2occ(CC(=O)O)c2c1 4137176 XIELPSZKUUDDMN-UHFFFAOYSA-N 204.225 2.622 0 50 BFAA in-vitro CC(=O)CC(=O)Nc1cccc(C(F)(F)F)c1 6692460 YOTPJLYOOXQHKX-UHFFFAOYSA-N 245.200 2.623 0 50 BFAA in-vitro FC(F)(F)c1ncccc1Br 15442931 SMZAZDGFGOHROS-UHFFFAOYSA-N 225.995 2.863 0 50 BFAA in-vitro COc1ccccc1CN[C@@H]1CC[C@@H](C)C1 16662683 RYXPHCWWIJHIGE-DGCLKSJQSA-N 219.328 2.973 0 50 BFAA CC(C)c1cccc(OCCN2CCOCC2)c1 19770611 JQLDXBOSEKDSJY-UHFFFAOYSA-N 249.354 2.521 0 50 BFAA CCCSc1ncc(Br)cn1 40456714 REVQSUAMCUMXGQ-UHFFFAOYSA-N 233.134 2.741 0 50 BFAA in-vitro Clc1cccc(-c2ncnc(Cl)n2)c1 43220539 KMLGSIJEJLHTCN-UHFFFAOYSA-N 226.066 2.845 0 50 BFAA in-vitro Cc1ccsc1CN(Cc1ncc[nH]1)C1CC1 65422696 JQTQEBXQCYCKSF-UHFFFAOYSA-N 247.367 2.944 0 50 BFAA CC1(C)Cc2c(cnn2-c2ccccc2)[C@@H](N)C1 72415627 BCTRMQIBWIWQKV-ZDUSSCGKSA-N 241.338 2.845 0 50 BFAA Brc1ccc2c(c1)C1(CC1)CN2 72482102 ZAXSHDQOFNHDIM-UHFFFAOYSA-N 224.101 2.906 0 50 BFAA in-vitro Cc1ccc(COC(=O)CCCCCN)cc1 95918077 RZFGZFBBFMZRNO-UHFFFAOYSA-N 235.327 2.557 0 50 BFAA C[C@H]1CN(C(=O)NCC2CC2)[C@H]1c1ccccc1 170004154 IYNCISVLLJACPG-SMDDNHRTSA-N 244.338 2.799 0 50 BFAA Cc1noc([C@@H](NCC2CCCC2)C(C)C)n1 170065270 ZKUGMUKCAGDWJS-LBPRGKRZSA-N 237.347 2.855 0 50 BFAA O[C@]12CCCC[C@H]1CN(C1CCCC1)CC2 220412262 FFLLZCPRCRLSAY-JSGCOSHPSA-N 223.360 2.556 0 50 BFAA Cc1c(N)c(C=O)cc(Cl)c1Cl 220591330 RKWAPJBZRDBXLJ-UHFFFAOYSA-N 204.056 2.697 0 50 BFAA Fc1cc(Br)c2nccnc2c1 224682996 SDRGWVVFJBAFNR-UHFFFAOYSA-N 227.036 2.531 0 50 BFAA in-vitro OC[C@]12c3ccccc3[C@@H]3c4ccccc4[C@H]1[C@H]32 253615156 HUSHTEIJWWUKCO-QAETUUGQSA-N 234.298 2.789 0 50 BFAA O=C(NCC1=CCCCC1)C1CC(F)(F)C1 336296048 GSZHBUNISNUVKD-UHFFFAOYSA-N 229.270 2.648 0 50 BFAA Cc1nnc(CNc2ccccc2F)s1 336380187 LIOJFBIBEQICCK-UHFFFAOYSA-N 223.276 2.598 0 50 BFAA N[C@@H](C(F)F)C12CC3CC(CC(C3)C1)C2 685976117 AUHINQPXGMHSMA-SPPFVYQKSA-N 215.287 2.795 0 50 BFAA Cc1cncc(NC(=O)N2CC3(CCCC3)C2)c1 1857527017 IQJAZHKJFIPVRK-UHFFFAOYSA-N 245.326 2.798 0 50 BFAA Oc1ccc(-c2nccn2[C@H]2C=CCCC2)cn1 1875244739 RUAGUMOXHWMHQR-LBPRGKRZSA-N 241.294 2.932 0 50 BFAA c1cn([C@H]2CCSC2)c(-c2cnsc2)n1 1875248138 YYYIKINQDOYYSZ-VIFPVBQESA-N 237.353 2.685 0 50 BFAA CC[C@@H]1CCc2c(sc(N)c2C(=O)OC)C1 184336 OAGCBMZNJLDSNV-SSDOTTSWSA-N 239.340 2.632 0 50 BFAA Cc1nn(-c2ccccc2)c(C)c1CCC(=O)O 279757 MWQSXCADNTVCPO-UHFFFAOYSA-N 244.294 2.506 0 50 BFAA CCn1ccc(C(=O)Nc2cc(C)ccc2F)n1 2763907 LCEYPPVTBNASFI-UHFFFAOYSA-N 247.273 2.603 0 50 BFAA O=C(Nc1cccc(O)c1)Nc1cccc(O)c1 5785172 AEJLRFPKZUWHEY-UHFFFAOYSA-N 244.250 2.742 0 50 BFAA Cc1ccc(-c2n[nH]c(-c3ccccn3)n2)cc1 8048412 JDACILDSJSVTRM-UHFFFAOYSA-N 236.278 2.842 0 50 BFAA Cc1cc(Br)cc2sc(N)nc12 9280160 CQNDRYGENLEDAA-UHFFFAOYSA-N 243.129 2.949 0 50 BFAA c1ccc2c(OCCNC3CC3)cccc2c1 20525251 KMZKMJBNUDTEND-UHFFFAOYSA-N 227.307 2.971 0 50 BFAA Oc1nc(C2CC2)c2cc(Cl)ccc2n1 30678115 MKYOBEYCYMHIKA-UHFFFAOYSA-N 220.659 2.866 0 50 BFAA in-vitro COC(=O)Cc1cccc2ccc(OC)cc12 34559142 HPHUJOWZEKGVQD-UHFFFAOYSA-N 230.263 2.564 0 50 BFAA O=C(O)[C@H]1C[C@@H]1c1ccc(Br)s1 37380510 RZYSPHTVUJNTOY-WHFBIAKZSA-N 247.113 2.699 0 50 BFAA COc1ncc(Cl)c(C)c1Br 59689066 CRWBHPSHBRYYIS-UHFFFAOYSA-N 236.496 2.815 0 50 BFAA in-vitro COc1nccnc1-c1cccc2[nH]ccc12 67983232 LFZWAULBRWATDY-UHFFFAOYSA-N 225.251 2.634 0 50 BFAA c1cc2c(cc1C1CCNCC1)CCCN2 75869452 XPBCDWNBSRTCDV-UHFFFAOYSA-N 216.328 2.512 0 50 BFAA Cc1cnc(Br)c2[nH]ccc12 91692722 HWUQPXKDAGKTPE-UHFFFAOYSA-N 211.062 2.634 0 50 BFAA in-vitro O=C1Cc2cc(OCc3ccccc3)ccc2N1 147236178 YQNYTVVGWCZWLL-UHFFFAOYSA-N 239.274 2.760 0 50 BFAA FC1(F)CN(c2cccc(C(F)(F)F)n2)C1 169725727 DLUZNNFHKDBFIC-UHFFFAOYSA-N 238.159 2.556 0 50 BFAA CC/C=C/CCS(=O)(=O)c1ccccc1 189168432 MJMRGMFPPFNGNP-ONEGZZNKSA-N 224.325 2.817 0 50 BFAA C[C@H]1O[C@@H]2c3ccccc3C[C@@H]2[C@@H](C)O1 223976466 SHWFPOIJJLMZKA-NRMKKVEVSA-N 204.269 2.681 0 50 BFAA COc1ccc(Cl)nc1C(F)(F)F 238344871 FLNXGDJJICNCOB-UHFFFAOYSA-N 211.570 2.762 0 50 BFAA CC(C)(C)C(=O)Nc1cccc(C(=O)O)c1F 310184255 XDBYRMPYODGPMN-UHFFFAOYSA-N 239.246 2.509 0 50 BFAA COCCN1CCC[C@H]1/C=C/c1cccs1 364013346 MQEJJTPYDXMJLB-SYTKJHMZSA-N 237.368 2.872 0 50 BFAA CN1CCCC[C@@H]1CCSC1=NCCS1 408513644 NFCJZNWENSPINQ-SNVBAGLBSA-N 244.429 2.697 0 50 BFAA CC(C(=O)N[C@H]1CCOC(C)(C)C1)=C1CCC1 408519514 MNQZFVFACNBNTE-LBPRGKRZSA-N 237.343 2.561 0 50 BFAA OCCSCc1ccc(-c2ccncc2)cc1 426472998 VTANWVJIIJUORA-UHFFFAOYSA-N 245.347 2.974 0 50 BFAA Cn1cccc/c1=N/c1ccc(Cl)cc1 585145577 KHAPXIFPRSCUBQ-OWBHPGMISA-N 218.687 2.911 0 50 BFAA Nc1ccc(-c2cccnc2)c2cccnc12 1772718074 LCWYPXZSHYPNMI-UHFFFAOYSA-N 221.263 2.879 0 50 BFAA O=C(O)c1ccc(C(F)(F)F)cc1F 56690 OCIYTBZXTFPSPI-UHFFFAOYSA-N 208.110 2.543 0 50 BFAA in-vitro O=S(=O)(c1ccccc1)c1ccsc1 115889 LGGLKPFTYFIQSY-UHFFFAOYSA-N 224.306 2.581 0 50 BFAA NC(=O)c1cc(-c2ccco2)nc2ccccc12 174683 QEKLKGUQSVENJF-UHFFFAOYSA-N 238.246 2.594 0 50 BFAA CO/C(C)=C\c1sc2ccccc2[n+]1C 318254 FFSMXCZWMYRICA-HJWRWDBZSA-N 220.317 2.733 0 50 BFAA Cc1ccc(C(=O)NCc2ccccn2)c(C)c1 514575 CKUFKEYZLYCCCZ-UHFFFAOYSA-N 240.306 2.628 0 50 BFAA COc1ccc(C(=O)C(F)(F)F)cc1C 2579829 KCQDIOQETYWJRX-UHFFFAOYSA-N 218.174 2.749 0 50 BFAA Cc1cc(C(F)(F)F)c2c(C)nn(C)c2n1 2740910 PJJWNTNNTQFNKU-UHFFFAOYSA-N 229.205 2.604 0 50 BFAA CC(C)c1cc(C(=O)NCc2ccccc2)no1 8592868 WZKPERQTBBMSEO-UHFFFAOYSA-N 244.294 2.728 0 50 BFAA CC1CCC(NC(=O)c2ccoc2)CC1 8772229 UTWCTWNBWDVXMX-UHFFFAOYSA-N 207.273 2.588 0 50 BFAA Nc1ccc(OCc2ccccn2)c(Cl)c1 11919429 XCAPJQSICQSUJP-UHFFFAOYSA-N 234.686 2.896 0 50 BFAA in-vitro CCOC(=O)c1cc(Cl)ncc1Cl 14007469 IBPDZRSCWRLNMV-UHFFFAOYSA-N 220.055 2.565 0 50 BFAA in-vitro CCCn1c2ccccc2c2nnc(S)nc21 17744171 VKBHDEMYBUCXJW-UHFFFAOYSA-N 244.323 2.678 0 50 BFAA N[C@@]1(c2ccccc2Cl)CCCCC1=O 35635997 BEQZHFIKTBVCAU-GFCCVEGCSA-N 223.703 2.637 0 50 BFAA world CC(C)(Cl)S(=O)(=O)C1CCCCC1 45070914 LWEOUOYAOODUFA-UHFFFAOYSA-N 224.753 2.709 0 50 BFAA CN1C(=O)Cc2ccccc2-c2ccccc21 45328724 VLYOZVMUFWIJIQ-UHFFFAOYSA-N 223.275 2.873 0 50 BFAA in-vitro CCN(Cc1ccccc1F)Cc1[nH]cnc1C 65387560 KFLAZFOZDUAEEN-UHFFFAOYSA-N 247.317 2.879 0 50 BFAA Cc1nc(-c2[nH]cnc2-c2ccccc2)c[nH]1 65529944 VCPCZPGUIXFJSY-UHFFFAOYSA-N 224.267 2.775 0 50 BFAA Cc1cc(C)cc(-n2ncc3c2CCC[C@@H]3N)c1 66055193 LFRTVNMBHGEHRH-AWEZNQCLSA-N 241.338 2.825 0 50 BFAA in-vitro CCCCNC[C@@H]1CSc2ccccc2C1=O 96026797 COOGMYBXPJAHFQ-LLVKDONJSA-N 249.379 2.981 0 50 BFAA Cc1nc(C)c(C(=O)Oc2ccc(F)cc2C)o1 119493178 NDBMMWBYTAUGAH-UHFFFAOYSA-N 249.241 2.958 0 50 BFAA CCc1cc(O)ccc1NC(=O)c1cccnc1 191095473 QMLIVFVBWKWAHP-UHFFFAOYSA-N 242.278 2.602 0 50 BFAA C[C@@H]1CCCCC[C@@H]1Nc1nc(C(=O)O)co1 228316258 RUGJNYCLKMCRMG-BDAKNGLRSA-N 238.287 2.754 0 50 BFAA Clc1ncnc2occ(Br)c12 238527066 NDOLFTQSUWAOKB-UHFFFAOYSA-N 233.452 2.639 0 50 BFAA c1cc(-c2cnn3cccnc23)c2ccncc2c1 426490782 YEFJTBPFWCDVGR-UHFFFAOYSA-N 246.273 2.945 0 50 BFAA CC(C)Oc1ccc(CN2CC[C@H]2C)cc1CO 828817629 MCSUKCQVPJSGRN-GFCCVEGCSA-N 249.354 2.560 0 50 BFAA CCc1nccc(CNC[C@H]2CC2(CC)CC)n1 952873642 YDJIWUXFPOMJKV-GFCCVEGCSA-N 247.386 2.955 0 50 BFAA CCNC(=O)c1c(Cl)ccc2cccnc12 2325816044 OETUBQYWZQXKEQ-UHFFFAOYSA-N 234.686 2.638 0 50 BFAA CC(C)(C)[C@]1(O)CC(c2ccccc2)=NO1 267473 LGBJDIDPIXMVAU-ZDUSSCGKSA-N 219.284 2.546 0 50 BFAA CC[C@H](C)C(=O)Nc1nnc(C(C)(C)C)s1 303632 CJBVXYSKEHHGQU-ZETCQYMHSA-N 241.360 2.820 0 50 BFAA CCCNc1cc(=O)oc2ccccc12 2029128 GDRCJLWGOVDQLL-UHFFFAOYSA-N 203.241 2.615 0 50 BFAA biogenic Fc1ccccc1OCCCCn1ccnc1 2494391 ZYADNRUQSAZGRS-UHFFFAOYSA-N 234.274 2.881 0 50 BFAA c1ccc(CNc2ncnc3[nH]ccc23)cc1 2525844 XQTDTJWTCBSTMC-UHFFFAOYSA-N 224.267 2.570 0 50 BFAA in-vitro Cc1cc(Br)c2[nH]ncc2c1 2547978 NCFBKDULJLGGSG-UHFFFAOYSA-N 211.062 2.634 0 50 BFAA in-vitro Nc1cccc(OCc2ccccc2F)c1 4418085 XCZQQCWDSILDHL-UHFFFAOYSA-N 217.243 2.987 0 50 BFAA CC(=O)Nc1cccc2nc(C)ccc12 6704123 JQNGUBDEHJXCHA-UHFFFAOYSA-N 200.241 2.502 0 50 BFAA CC(=O)C(C(C)=O)C12CC3CC(CC(C3)C1)C2 12363988 QYCOSPWVQKZONV-UHFFFAOYSA-N 234.339 2.997 0 50 BFAA in-vitro CC(C)OCCCNCc1ccccc1F 12382730 QUUSSIFYVUBFDM-UHFFFAOYSA-N 225.307 2.730 0 50 BFAA Cc1cc(=O)[nH]c2cc(Br)ccc12 16981095 VLVDHSVVOTZPAH-UHFFFAOYSA-N 238.084 2.599 0 50 BFAA Cc1nc(C(=O)Nc2ccc(F)c(F)c2)co1 22538576 DGPMFYPVKRORCL-UHFFFAOYSA-N 238.193 2.514 0 50 BFAA CC(C)Nc1ccc(Br)cc1N 26513446 DBDNOAIUXOODNH-UHFFFAOYSA-N 229.121 2.852 0 50 BFAA in-vitro O=Cc1cc(-c2ccccc2Cl)no1 34455501 CJJVDXAJEFUZRU-UHFFFAOYSA-N 207.616 2.808 0 50 BFAA COCCCOc1ccccc1Br 37506356 KQQOBVYZTUAQAG-UHFFFAOYSA-N 245.116 2.864 0 50 BFAA in-vitro CC(C)Oc1ccc(N2CCCC2=O)cc1 41232680 NFWOHTRRZLRVCB-UHFFFAOYSA-N 219.284 2.601 0 50 BFAA CC(=O)COc1cc(Cl)cc(Cl)c1 47820546 SVTSCUBKRZOBGZ-UHFFFAOYSA-N 219.067 2.961 0 50 BFAA Fc1ccc(Br)c([C@H]2CO2)c1 149884086 MVFZMOCAJVFKOF-MRVPVSSYSA-N 217.037 2.660 0 50 BFAA COc1cccnc1-c1ccc(C(=O)O)s1 200538747 LLROOGNVGFJAMS-UHFFFAOYSA-N 235.264 2.517 0 50 BFAA COc1cncc(/C=C/CCNC(C)(C)C)c1 212807852 XGQBTDGYSKZANN-FNORWQNLSA-N 234.343 2.882 0 50 BFAA COC(=O)c1cccc2cnc(Cl)cc12 218399421 HQMJCGZZCAZVDO-UHFFFAOYSA-N 221.643 2.675 0 50 BFAA C[C@@H](C1CC1)N(C)C(=O)[C@@H]1C[C@H]2CC[C@H]1C2 225177188 ZDPNROLVGBVIEY-XRRVDJEJSA-N 221.344 2.680 0 50 BFAA Cc1ccnc(N[C@@H](C)C[C@H](O)c2ccco2)c1 225527075 QCORGAKFCVDFRZ-RYUDHWBXSA-N 246.310 2.907 0 50 BFAA Clc1cncc(NCCCc2ccccn2)n1 301759192 ZJJPNVVPDOZVCH-UHFFFAOYSA-N 248.717 2.570 0 50 BFAA NC(=O)Nc1cc(Cl)c(Cl)cc1F 306327727 NDGUVRVCNXKDAN-UHFFFAOYSA-N 223.034 2.623 0 50 BFAA CCn1ncc(CNC2CC3(CCCCC3)C2)n1 850397207 UGCJCYMEPNPFOJ-UHFFFAOYSA-N 248.374 2.501 0 50 BFAA Oc1ccc(-c2nccn2[C@@H]2CCSC2)cc1 1875241065 NSNTXCXLJXBHFK-LLVKDONJSA-N 246.335 2.934 0 50 BFAA O=C(C[C@@H]1CCCCCC1=O)c1ccncc1 1908500614 LGTVFZNGYGGERL-LBPRGKRZSA-N 231.295 2.804 0 50 BFAA COc1cc2c(cc1-c1ccc(C)cn1)OCO2 2356145882 WVXUZUKVPFSANX-UHFFFAOYSA-N 243.262 2.794 0 50 BFAA COc1cccc2c(C=O)ccc(N(C)C)c12 558713 USPRPEKFUIJGHE-UHFFFAOYSA-N 229.279 2.727 0 50 BFAA COC(=O)[C@H](C)Oc1ccc(C(C)C)cc1 1459475 HNBZCWLAXPVXER-JTQLQIEISA-N 222.284 2.750 0 50 BFAA CN1CCC(N2CCC[C@H]3CCCC[C@H]32)CC1 2498927 MGESHONGICXGSQ-UKRRQHHQSA-N 236.403 2.735 0 50 BFAA Oc1cccc(Cl)c1Br 2524480 SJFAAIBDKRBLMN-UHFFFAOYSA-N 207.454 2.808 0 50 BFAA in-vitro CC(C)(C)[C@@H]1CCc2nc(N)sc2C1 3228759 QXRJJJPFOHTPIG-SSDOTTSWSA-N 210.346 2.876 0 50 BFAA in-vitro Cc1n[nH]c(N)c1-c1cccc(C(F)(F)F)c1 3883286 ZQARVLMZLATKQJ-UHFFFAOYSA-N 241.216 2.986 0 50 BFAA CC(C)(C)C(=O)Nc1cccc(Cl)n1 4352688 YPWKLBCTOUEZKE-UHFFFAOYSA-N 212.680 2.720 0 50 BFAA in-vitro CC(C)CNC(=O)CCCc1ccccc1 4550917 ULEYXYSLGQRTRI-UHFFFAOYSA-N 219.328 2.782 0 50 BFAA NC(=O)Cc1coc2ccc3ccccc3c12 4810675 ZKYNFIWEOSWBMN-UHFFFAOYSA-N 225.247 2.614 0 50 BFAA CC[C@H](c1ccccn1)N(C)Cc1coc(C)n1 67774815 NCWDSCIQYDXUOF-CQSZACIVSA-N 245.326 2.961 0 50 BFAA Cc1onc(-c2cccnc2)c1Br 79064800 KCZLRSQAZVCCTQ-UHFFFAOYSA-N 239.072 2.808 0 50 BFAA O=C(O)c1ccc(Br)c2cc[nH]c12 89204651 CDTILRQKJWYBOM-UHFFFAOYSA-N 240.056 2.629 0 50 BFAA in-vitro CCc1ccccc1C(=O)C(C)(C)N(C)C 96027218 ZVHNTVQPMFMSKU-UHFFFAOYSA-N 219.328 2.772 0 50 BFAA Clc1cc(Br)cc2c1CNCC2 123934469 GCTFYECWFBVQJL-UHFFFAOYSA-N 246.535 2.748 0 50 BFAA c1ccc2nc(NCCc3ncc[nH]3)ccc2c1 139941079 VOXKKCAKVXNWGQ-UHFFFAOYSA-N 238.294 2.613 0 50 BFAA CCC(=CC(=O)Nc1cccnc1)CC 164139559 VKDZLHMADZYNML-UHFFFAOYSA-N 204.273 2.767 0 50 BFAA Cc1cc(C)nc(NC[C@H](C)c2nccs2)n1 230610319 SLYLNCOHAFUDNV-QMMMGPOBSA-N 248.355 2.766 0 50 BFAA O=C(c1cnc(Cl)c(F)c1)C(F)(F)F 238581234 NHFYILGVYJHTLL-UHFFFAOYSA-N 227.544 2.619 0 50 BFAA C[C@@H]1CN(C)[C@H](C)[C@H]2c3ccccc3N[C@H]21 247722455 BPLHAAXKXWWSDI-JYILRKAJSA-N 216.328 2.534 0 50 BFAA Cc1cc(C(N)=O)cc(Cl)c1Br 252487060 HRMVSENXLYLTLK-UHFFFAOYSA-N 248.507 2.510 0 50 BFAA CN(C[C@@H](O)c1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2 299872840 QPJACXYEMOQCLG-ARLBYUKCSA-N 245.366 2.840 0 50 BFAA C=CC(=O)N[C@](C)(Cc1ccccc1)C1CC1 1335287018 HOGHBSLOWOXZME-OAHLLOKOSA-N 229.323 2.700 0 50 BFAA C=CC(=O)NC1([C@@H]2CCCc3ccccc32)CC1 1875368107 PQSMUHQTDDEDJM-CQSZACIVSA-N 241.334 2.941 0 50 BFAA O=C(Nc1ccc(F)cc1F)c1cccnc1 29654 NOCNRSXZPFJMMC-UHFFFAOYSA-N 234.205 2.612 0 50 BFAA Nc1ccccc1Oc1ccccc1N 403184 GOJFAKBEASOYNM-UHFFFAOYSA-N 200.241 2.643 0 50 BFAA in-vitro Cc1cc(C)cc(OCCn2ccnc2)c1 433388 IUODDWZEPQEQBN-UHFFFAOYSA-N 216.284 2.579 0 50 BFAA C[C@H]1Cn2c(CCc3ccccc3)nnc2S1 1059234 YVVIWFGQNRUPFH-JTQLQIEISA-N 245.351 2.558 0 50 BFAA CCOC(=O)Nc1ccc(F)c(F)c1 1682747 CLGQKDOPNYQNNJ-UHFFFAOYSA-N 201.172 2.533 0 50 BFAA CCOC(=O)c1ccc(Cl)cc1F 2384162 MVPSCBLITKTKLF-UHFFFAOYSA-N 202.612 2.656 0 50 BFAA in-vitro C[C@@H]1CC(=O)N1C12CC3CC(CC(C3)C1)C2 5721978 HGQHHCUMJFCKFI-GVDDXCRBSA-N 219.328 2.576 0 50 BFAA O=C(O)c1cc(Cl)c(Cl)nc1Cl 5943587 XMJRZCYSCMZVJQ-UHFFFAOYSA-N 226.446 2.740 0 50 BFAA in-vitro COc1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1 8888253 PONNDNMHYHDVIU-UHFFFAOYSA-N 243.184 2.556 0 50 BFAA CC(C)Sc1nc(-c2ccccc2)cc(=O)[nH]1 13111191 BWCDXFKHHAJBLH-UHFFFAOYSA-N 246.335 2.937 0 50 BFAA NCC1CCC(c2nc3ccccc3[nH]2)CC1 19091253 AZNKXRKKYXSHKU-UHFFFAOYSA-N 229.327 2.795 0 50 BFAA Cc1cc(N)cc(C)c1Br 20198577 OGBPXDJLNYCSJH-UHFFFAOYSA-N 200.079 2.648 0 50 BFAA in-vitro O=CNC1(Cc2ccccc2)CCCCC1 34536768 VXZWTFHMRUWNLD-UHFFFAOYSA-N 217.312 2.678 0 50 BFAA Cc1c(Br)ccc2c1cnn2C 36533434 WUBOGWOQGQGGGP-UHFFFAOYSA-N 225.089 2.644 0 50 BFAA Cn1cc(-c2ccc(Br)cc2)cn1 49828414 NGFPKROKTIBKMD-UHFFFAOYSA-N 237.100 2.850 0 50 BFAA CC(C)N(C(=O)c1ccc(Cl)nc1)C(C)C 71835643 SSIUKIOVKUQYGZ-UHFFFAOYSA-N 240.734 2.994 0 50 BFAA Cc1cc(C(=O)O)cnc1OCc1ccccc1 72222378 JPQRFYWNNMSASJ-UHFFFAOYSA-N 243.262 2.667 0 50 BFAA Brc1nccc2c1CCCC2 95931119 VRXOMWJRDOUVDX-UHFFFAOYSA-N 212.090 2.723 0 50 BFAA in-vitro C#Cc1sc(NC(=O)OC(C)(C)C)nc1C 118232266 CXAWPZJPIZMTFR-UHFFFAOYSA-N 238.312 2.780 0 50 BFAA COc1cc(-c2ccc(C=O)cc2C)ccn1 122662959 YYBOHTXLHDCPDM-UHFFFAOYSA-N 227.263 2.878 0 50 BFAA Cc1cccc(C)c1-c1noc(C)c1C(=O)O 135408158 AFQGTIIAWSQQDR-UHFFFAOYSA-N 231.251 2.965 0 50 BFAA Cc1nsc2ccc3nc(N)sc3c12 141661969 MKHAESNALJWWJS-UHFFFAOYSA-N 221.310 2.797 0 50 BFAA CC1=CCC[C@@H](C)[C@@H]1CNc1cnn(C)c1 182594365 HZPKTZDXOAGULB-DGCLKSJQSA-N 219.332 2.824 0 50 BFAA Cc1nn(C(=O)OC(C)(C)C)cc1Cl 261493935 MDRBUGJYWUIBGP-UHFFFAOYSA-N 216.668 2.628 0 50 BFAA O=C(Nc1nccnc1C1CC1)[C@@H]1CC=CCC1 906412854 OIJPPVCOGMXPKM-LLVKDONJSA-N 243.310 2.649 0 50 BFAA C=CC(=O)N[C@@H](Cc1ccccc1)C(C)C 1120554583 SMOXSPNFFILOIV-ZDUSSCGKSA-N 217.312 2.556 0 50 BFAA C=CC(=O)Nc1ccc(CCCC)nc1C 1776007206 ZGUOWKMFFQBKKM-UHFFFAOYSA-N 218.300 2.857 0 50 BFAA Cc1cc(OC(F)F)ccc1[C@@H](C)N 1857787312 VLCAPNUCDDHLMI-SSDOTTSWSA-N 201.216 2.616 0 50 BFAA Cn1nc(-c2ccc3[nH]ccc3c2)nc1C1CC1 2100556924 KYANUHBWYGEFGN-UHFFFAOYSA-N 238.294 2.841 0 50 BFAA Cc1ccc(CCC(=O)Nc2nccs2)o1 91302 VHRJMOLKPWVEGH-UHFFFAOYSA-N 236.296 2.616 0 50 BFAA COc1ccc(C(C)=O)cc1Br 105308 JYPGOBDETCKKKV-UHFFFAOYSA-N 229.073 2.660 0 50 BFAA in-vitro Cc1ccccc1NC(=O)c1ccc(O)cc1 131985 LNWPULCBCPNIJU-UHFFFAOYSA-N 227.263 2.953 0 50 BFAA in-vitro O=C(NCCc1ccc(Cl)cc1)c1ccco1 140658 WCFDKPUTQVLXIL-UHFFFAOYSA-N 249.697 2.906 0 50 BFAA OC[C@H]1CCCN(Cc2ccccc2Cl)C1 210763 IFURXIJGANSXOV-NSHDSACASA-N 239.746 2.544 0 50 BFAA O=C(COc1ccccc1)NC1CCCCC1 357470 CQWWLWGATIFQLU-UHFFFAOYSA-N 233.311 2.514 0 50 BFAA c1cc[n+](Cc2nc3ccccc3s2)cc1 386970 LVMJNUWHHFLFPA-UHFFFAOYSA-N 227.312 2.632 0 50 BFAA COc1cc(Cl)ccc1NC(=O)C1CC1 398355 OOVLFJMQBGRNSM-UHFFFAOYSA-N 225.675 2.697 0 50 BFAA CCOC(=O)N1c2ccccc2C[C@H]1C 1053338 JBZMYSYCWRTAJK-SECBINFHSA-N 205.257 2.594 0 50 BFAA CNC(=O)Oc1cc(C)cc(C(C)C)c1 1667587 DTAPQAJKAFRNJB-UHFFFAOYSA-N 207.273 2.837 0 50 BFAA biogenic,in-vitro CCOc1cccc(-c2ccc(C=O)cn2)c1 2527571 WUBKGEKCDBIVSB-UHFFFAOYSA-N 227.263 2.960 0 50 BFAA CNC(=S)Nc1cc(Cl)ccc1C 2905579 KAUUWJADQSSQNX-UHFFFAOYSA-N 214.721 2.565 0 50 BFAA CC(C)Sc1nnc(NC(=O)C(C)C)s1 4086550 CMDUBGJTYGFTIP-UHFFFAOYSA-N 245.373 2.633 0 50 BFAA Cc1cc(C(=O)Nc2ccccc2Cl)on1 14018743 TXCFPRFEYRLOPT-UHFFFAOYSA-N 236.658 2.889 0 50 BFAA C[C@](O)(c1ccccc1)[C@](C)(O)c1ccccc1 17729151 URPRLFISKOCZHR-IYBDPMFKSA-N 242.318 2.802 0 50 BFAA O=C1CCOc2ccc3c(c21)CCCC3 45027506 BSHFNMRQILQYJH-UHFFFAOYSA-N 202.253 2.531 0 50 BFAA CC[C@H](CO)N(CC=C(C)C)Cc1ccccn1 55327194 UOUGKDRUQMHCGT-OAHLLOKOSA-N 248.370 2.621 0 50 BFAA COC(=O)c1c[nH]c(-c2ccccc2F)c1 113287263 SBIWPRUCVWNMMV-UHFFFAOYSA-N 219.215 2.607 0 50 BFAA CCO[C@@H](C)c1nccn1Cc1nc(C)c(C)o1 124299134 BNKVMYHFKANOBL-NSHDSACASA-N 249.314 2.634 0 50 BFAA CCCCCn1c[n+](Cc2ccccc2C)cn1 252491018 LILVUUJADFDKEX-UHFFFAOYSA-N 244.362 2.718 0 50 BFAA CC(F)(F)CC(=O)N1CCc2cc(F)ccc21 283671055 RMLBFBHUPZSMOS-UHFFFAOYSA-N 243.228 2.760 0 50 BFAA Cc1ccc2cc(CN3CC(C)C3)[nH]c2c1 668093091 BJEFGUNUJNKRID-UHFFFAOYSA-N 214.312 2.928 0 50 BFAA C[C@H](Oc1ccccc1)C(=O)NC1CCCCC1 30425 HXTHROHHQBSOET-LBPRGKRZSA-N 247.338 2.903 0 50 BFAA Nc1cccc(NC(=O)c2cccs2)c1 38192 XXGXTGNFZPKBNN-UHFFFAOYSA-N 218.281 2.583 0 50 BFAA in-vitro O=C(O)c1cccc(SC(F)(F)F)c1 57093 IVGAPIVNQABETQ-UHFFFAOYSA-N 222.187 2.997 0 50 BFAA in-vitro O=c1cc(-c2cccnc2)c2ccc(O)cc2o1 153917 NXHVMYDCZZUVML-UHFFFAOYSA-N 239.230 2.561 0 50 BFAA in-vitro CC1(C)CC(=O)c2cc(Cl)c(O)cc2O1 173280 IBWKHUGRSMJQKO-UHFFFAOYSA-N 226.659 2.789 0 50 BFAA O=C(c1cc2ccccc2o1)N1CCCC1 620086 ZKWGUCCQYRGCGP-UHFFFAOYSA-N 215.252 2.669 0 50 BFAA CCc1ccc(C(=O)N2CCCC2)s1 1054602 BGYYXICJUQQPRA-UHFFFAOYSA-N 209.314 2.547 0 50 BFAA NC[C@H](c1ccco1)c1c[nH]c2ccccc12 1504769 YQRCKSCFVFNUKA-NSHDSACASA-N 226.279 2.852 0 50 BFAA Nc1nc2c(C(F)(F)F)cccc2s1 3888718 FGZBTCDIPNGYRC-UHFFFAOYSA-N 218.203 2.897 0 50 BFAA in-vitro C[C@@H](NC(=O)c1cccc(F)c1)c1ccncc1 6125229 BRNYLBNOXFKGBT-SNVBAGLBSA-N 244.269 2.712 0 50 BFAA Cc1cc2n(n1)S[C@H](Nc1ccccc1C)N2 6969282 IXAGUZYMLMKWCO-GFCCVEGCSA-N 246.339 2.817 0 50 BFAA CC(C)c1ccc([C@@]2(C)CNCCO2)cc1 11803641 CZERBNKRNMFZRL-CQSZACIVSA-N 219.328 2.645 0 50 BFAA CC(=O)c1cnn(-c2ccc(Cl)cc2)c1 13331529 IUTPSVNWIWQIDX-UHFFFAOYSA-N 220.659 2.728 0 50 BFAA in-vitro CCc1[nH]c2ccc(OC)cc2c1CCN(C)C 13805803 ZEYRDXUWJDGTLD-UHFFFAOYSA-N 246.354 2.843 0 50 BFAA in-vivo CCc1cc(C(=O)N2CCCC2)cs1 16580203 KBPADCZNCFCPIC-UHFFFAOYSA-N 209.314 2.547 0 50 BFAA COc1ccc(OCCN2CCC(C)CC2)cc1 20535618 ZUZKHBBYXDLQJE-UHFFFAOYSA-N 249.354 2.806 0 50 BFAA Brc1cccc2c1COCC2 39075803 AGVNTWBJYBSROH-UHFFFAOYSA-N 213.074 2.522 0 50 BFAA in-vitro COC(=O)c1c[nH]cc1CCc1ccc(F)cc1 71864076 XUICAJMFKIEYTM-UHFFFAOYSA-N 247.269 2.726 0 50 BFAA in-vitro COC(=O)c1oc2ccc(Cl)cc2c1O 100973884 CYXZIFNWSKXLSE-UHFFFAOYSA-N 226.615 2.578 0 50 BFAA NCC[C@H](c1ccccc1)c1cccc(N)c1 113935720 QVSBFMOLASXTCK-OAHLLOKOSA-N 226.323 2.750 0 50 BFAA Cc1cc(C(=O)Nc2cnccn2)ccc1Cl 126111488 CLLJMQIZPMVUBI-UHFFFAOYSA-N 247.685 2.691 0 50 BFAA Cc1cncc(CNc2cccc(C)n2)c1 195566918 IJDPXDVRGIWNNJ-UHFFFAOYSA-N 213.284 2.706 0 50 BFAA O=C1CCCC[C@H]1Oc1ccc(F)cc1 199224155 WAROXPGTACBWCD-GFCCVEGCSA-N 208.232 2.716 0 50 BFAA Clc1cnn([C@H]2CCN(C3CCCC3)C2)c1 290095128 ZVOZHLPXGJXWLA-LBPRGKRZSA-N 239.750 2.726 0 50 BFAA O=C(N1CCC1)C(F)(F)c1cccc(Cl)c1 299342533 FMOJRBMMLQYZLA-UHFFFAOYSA-N 245.656 2.664 0 50 BFAA C[C@@H]1CCC(=O)C[C@H]1N1CCCC[C@H]1C 725360333 IXYCGRDDURXKED-NQBHXWOUSA-N 209.333 2.619 0 50 BFAA CC[C@@H](c1ccccn1)N(C)C(=O)c1cc[nH]c1 952984546 XPWWEXOMWKIFEO-ZDUSSCGKSA-N 243.310 2.633 0 50 BFAA C=CC(=O)N[C@@H](C)c1cccc2cccnc12 1875368293 HRPGESDHPQGJSJ-JTQLQIEISA-N 226.279 2.598 0 50 BFAA O=C1N[C@@H](c2ccccc2)Nc2ccccc21 115259 BIVGFFFLVZMILM-ZDUSSCGKSA-N 224.263 2.541 0 50 BFAA O=C1N[C@H](c2ccccc2)Nc2ccccc21 115262 BIVGFFFLVZMILM-CYBMUJFWSA-N 224.263 2.541 0 50 BFAA O=C(NCCc1ccccc1)C1CCCC1 373836 HLGZKZCTVFJIFI-UHFFFAOYSA-N 217.312 2.536 0 50 BFAA COc1ccc([C@@H]2CCCCC2=O)cc1 399526 BEBTXYAQBNBPJY-LBPRGKRZSA-N 204.269 2.922 0 50 BFAA in-vitro Clc1cc(Cl)c2c(c1)COCO2 4792313 ZJFGGKYLGUUMPU-UHFFFAOYSA-N 205.040 2.860 0 50 BFAA CC[C@@H](C)NC(=O)c1ccc(OC)c(C)c1 9063939 DLAAXHNVRTZVMX-SNVBAGLBSA-N 221.300 2.532 0 50 BFAA COc1ccc2c(-c3cnc(N)s3)c[nH]c2c1 34925343 IAVGDVWZFZSZBW-UHFFFAOYSA-N 245.307 2.882 0 50 BFAA in-vitro O=C(O)c1csc(-c2ccccc2F)n1 36895556 DHFRIMBNGDEXQK-UHFFFAOYSA-N 223.228 2.647 0 50 BFAA in-vitro Cc1ccc(Oc2ccccc2CN(C)C)nn1 67713629 IZVOQMCUTXHNQZ-UHFFFAOYSA-N 243.310 2.639 0 50 BFAA Cc1cc(C=O)cnc1OCc1ccccc1 72222372 SCFXNUHBYMZNFF-UHFFFAOYSA-N 227.263 2.782 0 50 BFAA in-vitro FC1(F)CN(c2ccc3[nH]ccc3c2)C1 169725925 WGJARQOWRDOKRL-UHFFFAOYSA-N 208.211 2.623 0 50 BFAA COc1cc(C(=O)O)cc(-c2ccsc2)n1 223378453 LFMZXPMLSIIRGU-UHFFFAOYSA-N 235.264 2.517 0 50 BFAA COc1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)c1 265624436 ONFOLFZRJPKOLJ-COPLHBTASA-N 245.322 2.614 0 50 BFAA N=c1ccn(CCCc2ccccc2)cc1 334157437 MJEYHYMOGPGIDV-UHFFFAOYSA-N 212.296 2.600 0 50 BFAA C[C@@H]1C[C@@H](C)[C@@H](C)N(c2ncnc3[nH]ccc23)C1 352583904 PGWNJDAAGAZDPE-GMTAPVOTSA-N 244.342 2.829 0 50 BFAA COCCNCc1oc2ccccc2c1Cl 585118655 XNXOYYXTGWLFER-UHFFFAOYSA-N 239.702 2.822 0 50 BFAA COc1c(Cl)cc(Cl)c(C=O)c1F 725239943 KLSMFSXOZADDJC-UHFFFAOYSA-N 223.030 2.954 0 50 BFAA C=CC(=O)N1CC[C@](C)(c2cccc(F)c2)C1 863971419 SKQQKXQGFOEZQO-AWEZNQCLSA-N 233.286 2.502 0 50 BFAA CC1(Cn2ccnc2C2CCCC2)COC1 1875248078 XGXCTIVUBNBYRY-UHFFFAOYSA-N 220.316 2.577 0 50 BFAA CN(C[C@H]1CC=CCC1)c1cccc(C(N)=O)c1 1875347786 SKPCTPLNMOWSTF-LBPRGKRZSA-N 244.338 2.578 0 50 BFAA F[C@H]1CCC[C@H](CN2CCn3cccc3C2)C1 2325771699 IARMGAFERSJFIA-STQMWFEESA-N 236.334 2.832 0 50 BFAA O=C(NCCc1cccs1)c1cccs1 100686 BDCPXEJHDFNOPA-UHFFFAOYSA-N 237.349 2.782 0 50 BFAA COC(=O)Cc1ccc(C(C)(C)C)cc1 157118 HXVTYMWVMVKVTF-UHFFFAOYSA-N 206.285 2.700 0 50 BFAA endogenous,in-man O=C(Nc1ccc(Cl)cc1)N1CCCC1 276262 RTBUUFKTGZOHCA-UHFFFAOYSA-N 224.691 2.968 0 50 BFAA CC[C@H](C)NC(=O)COc1ccc(C)c(C)c1 318556 QOBFOIOBXGQEGF-LBPRGKRZSA-N 235.327 2.597 0 50 BFAA Cc1cc(C)c(N)c(Br)c1 393041 YOSJCQJJIHEUKA-UHFFFAOYSA-N 200.079 2.648 0 50 BFAA in-vitro Cn1c([C@@H](O)c2ccccc2)nc2ccccc21 499289 XYXZIVDSZIRGFM-AWEZNQCLSA-N 238.290 2.655 0 50 BFAA CC(C)(C)C(=O)Nc1ccc(F)c(F)c1 859636 GDCSMKQNTXLXRD-UHFFFAOYSA-N 213.227 2.949 0 50 BFAA O=C(O)Cc1cccc(Cl)c1Cl 2386141 YWMXEUIQZOQESD-UHFFFAOYSA-N 205.040 2.621 0 50 BFAA in-vitro CC(=O)Cc1cccc(Br)c1 2558075 FQIZFAJMBXZVOL-UHFFFAOYSA-N 213.074 2.581 0 50 BFAA in-vitro Cc1nc(-c2ccc(CN)s2)cs1 4218338 KKXXKTKEZQJYKE-UHFFFAOYSA-N 210.327 2.639 0 50 BFAA in-vitro O[C@]12CCCC[C@@H]1[C@H](c1ccc(F)cc1)NCC2 4487968 DQJVTBCKCFMOEZ-ILXRZTDVSA-N 249.329 2.781 0 50 BFAA COc1ccccc1OC/C=C/CN1CCCC1 16622764 JZRRJEDTYCJPLI-VOTSOKGWSA-N 247.338 2.726 0 50 BFAA NCCCSCc1cccc(Cl)c1 42383718 RPKSLIJHMBOHQI-UHFFFAOYSA-N 215.749 2.922 0 50 BFAA in-vitro Cc1ccc(CN(C)C(=O)[C@@H]2CC=CCC2)o1 52987882 TVKBLPDGPVWYAR-GFCCVEGCSA-N 233.311 2.903 0 50 BFAA CC[C@@H](C)NC(=O)Cc1ccc(C)cc1C 72436968 RABHIUMYCHIGEE-GFCCVEGCSA-N 219.328 2.761 0 50 BFAA CC(C)C[C@@H](O)C1CCN(c2ccncc2)CC1 77486036 CTRNIJLAFZKOLB-OAHLLOKOSA-N 248.370 2.705 0 50 BFAA CN(C)C(=O)c1cccc(-c2cccc(N)c2)c1 85477253 XMPDKLRIYZARMI-UHFFFAOYSA-N 240.306 2.638 0 50 BFAA in-vitro CCCO[C@@H](C(=O)O)c1ccc(F)cc1C 147925155 JAOQBJBGAJEPHH-LLVKDONJSA-N 226.247 2.686 0 50 BFAA N[C@H]1C[C@@H](Oc2ccc(C(F)(F)F)cc2)C1 166490907 BXXLNGHPKDHBJD-CZMCAQCFSA-N 231.217 2.574 0 50 BFAA OCCCOc1ccccc1-c1nccs1 170087060 AXKAGVWFEGUPMX-UHFFFAOYSA-N 235.308 2.571 0 50 BFAA N=[S@@](=O)(c1ccccc1)C(F)(F)F 196248791 OWOIUZZQTKKJGH-CYBMUJFWSA-N 209.192 2.612 0 50 BFAA CC(=O)Nc1cc(Cl)ccc1C(C)(C)O 230509858 JZXCYJAKONPBLI-UHFFFAOYSA-N 227.691 2.526 0 50 BFAA Cc1ccccc1[C@@H]1C[C@@H](C)N([C@@H](C)C(=O)O)C1 237580820 ISUZEUDDYACWPR-FRRDWIJNSA-N 247.338 2.646 0 50 BFAA C[C@@H](CCN[C@H]1CCC[C@@H](C)[C@H]1C)[S@@](C)=O 242273465 YCXBMSMUMCMXCI-QCPCCJPKSA-N 245.432 2.558 0 50 BFAA Cc1ccnc(NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)n1 249296475 RBJHCEKTGKPLCT-SDDRHHMPSA-N 245.326 2.550 0 50 BFAA C=CC(=O)N[C@@H](c1ccccc1)C1CCC1 791350812 BNJDBQAGXSTKOH-AWEZNQCLSA-N 215.296 2.830 0 50 BFAA Cc1cc(C)n(C(=O)c2ccc(Cl)cc2)n1 37178 JXBJSVPXZCXBOC-UHFFFAOYSA-N 234.686 2.842 0 50 BFAA O=C(NOCc1ccccc1F)c1ccccc1 295646 ZHKYHYOWOSZPNH-UHFFFAOYSA-N 245.253 2.687 0 50 BFAA CCCCCOC(=O)c1ccccc1O 1677092 RANVDUNFZBMTBK-UHFFFAOYSA-N 208.257 2.739 0 50 BFAA endogenous,in-man O=c1c2ccccc2ncn1-c1cccc(F)c1 2879480 KHIGSGCCOQFOGI-UHFFFAOYSA-N 240.237 2.525 0 50 BFAA COC(=O)c1ccc(CN2CCC(C)CC2)cc1 4986940 WSRPFFMHHJVAKA-UHFFFAOYSA-N 247.338 2.705 0 50 BFAA CC(C)c1n[nH]c2c1C(=O)c1ccccc1-2 5189452 NPTFUJRPAPQBTP-UHFFFAOYSA-N 212.252 2.745 0 50 BFAA S=c1[nH]c2ccc(Br)cc2[nH]1 5606404 HZTQEFLQSTYJSE-UHFFFAOYSA-N 229.102 2.988 0 50 BFAA CC(C)(C)c1ccccc1NC(=O)CCC(=O)O 6730051 OHADMZXCKCKARP-UHFFFAOYSA-N 249.310 2.787 0 50 BFAA in-vitro Cc1ccccc1CC(=O)NCc1ccccc1 6731128 AJZYRYFIKTWSMW-UHFFFAOYSA-N 239.318 2.854 0 50 BFAA COc1c(C)cccc1I 36468258 KFBPVUFEPLMJGM-UHFFFAOYSA-N 248.063 2.608 0 50 BFAA C[C@@H](Cc1ccc(Br)cc1)C(=O)O 37462428 KIXVFBKJEAPPAR-ZETCQYMHSA-N 243.100 2.712 0 50 BFAA in-vitro c1csc(CCCc2nc(C3CC3)n[nH]2)c1 41057648 OXUYMCGEBDNRPQ-UHFFFAOYSA-N 233.340 2.919 0 50 BFAA CC(C)n1c(CN)nc2ccc(Cl)cc21 53994587 UDAYLPOFJSZSMK-UHFFFAOYSA-N 223.707 2.729 0 50 BFAA CCC[C@@]1(CO)CCCN(c2ccnc(C)c2)C1 91770053 UMYHIGJXZPWPKI-OAHLLOKOSA-N 248.370 2.769 0 50 BFAA CC(C)(C)OC(=O)NCc1cccc(Cl)n1 95930537 BBSVDLXXIGIELL-UHFFFAOYSA-N 242.706 2.760 0 50 BFAA Cc1ccc2c(c1)c(C)c1n2C[C@H]2CO[C@@]1(C)O2 104271727 OMHIUIUABDCYDJ-NHYWBVRUSA-N 243.306 2.860 0 50 BFAA COc1c(Cl)ccc(Cl)c1C=O 113892466 VUPVJFXKIQHFFJ-UHFFFAOYSA-N 205.040 2.815 0 50 BFAA CN(C)/C=C/c1cc(Cl)nc(Cl)c1C#N 115108268 BHPAZBLTUPBPNI-ONEGZZNKSA-N 242.109 2.792 0 50 BFAA Cc1cccc([C@@H]2CCCCN2CC(=O)O)c1C 225453085 RFRPXHAHSKOMFO-AWEZNQCLSA-N 247.338 2.915 0 50 BFAA Fc1cc(Br)c(Cl)cn1 228757532 AEAHVJCOIJYDMM-UHFFFAOYSA-N 210.433 2.637 0 50 BFAA O=C1O[C@@H]2[C@H]3C[C@@H](C[C@@H]13)[C@H]2Sc1ccccc1 256543511 BKQRLBIGHDNYAP-BQSNPHCVSA-N 246.331 2.729 0 50 BFAA CC[C@H]1OCCC[C@@H]1C(=O)Nc1cnccc1C 277142367 CGUVYHICVLNIGA-WCQYABFASA-N 248.326 2.534 0 50 BFAA COc1ccc(-c2ccccc2SC)nn1 426441740 HLBPWTTUXHVNAJ-UHFFFAOYSA-N 232.308 2.874 0 50 BFAA Cc1nocc1NC(=O)c1ccoc1C1CC1 585125168 JBASMBYNMGEQPJ-UHFFFAOYSA-N 232.239 2.706 0 50 BFAA O=Cc1ccc(-c2cc(F)ccc2F)cn1 675069122 BWURXOKFLKZRSF-UHFFFAOYSA-N 219.190 2.839 0 50 BFAA CC[C@H](C)C[C@H](C)Nc1nc(C)cc(O)n1 1614456590 MBDRENWNANXXOI-IUCAKERBSA-N 223.320 2.727 0 50 BFAA Cc1ccccc1C(=O)NCCc1ccccc1 29163 GSBKTZGAXXREIT-UHFFFAOYSA-N 239.318 2.968 0 50 BFAA O=C1Nc2ccccc2/C1=C/c1ccco1 136914 PGZGBDVILWVGSF-FLIBITNWSA-N 211.220 2.772 0 50 BFAA CCN1CCC(NC2CCCCCC2)CC1 280459 SWTYIQINAYQCPN-UHFFFAOYSA-N 224.392 2.783 0 50 BFAA CCC(=O)Nc1ccc(Cl)c(OC)c1 315902 GFMBJFPIIRRXPN-UHFFFAOYSA-N 213.664 2.697 0 50 BFAA OCC[C@@H]1CCCCN1C/C=C/c1ccccc1 757328 JUWIHHKKOXDMDU-FSNWXROXSA-N 245.366 2.937 0 50 BFAA CCN(CC)C(=O)c1cc(-c2ccccc2)on1 815047 JYOZDJZEKOAZQX-UHFFFAOYSA-N 244.294 2.824 0 50 BFAA Fc1ccc2c(C3=CCNCC3)c[nH]c2c1 2527027 FBWKDFSEFVFKFY-UHFFFAOYSA-N 216.259 2.684 0 50 BFAA in-vitro CC(=O)c1ccc(OCCN2CCCCC2)cc1 5013876 LXOOVOCUAZETDF-UHFFFAOYSA-N 247.338 2.754 0 50 BFAA CCc1ccc2nc(C)c(CN(C)C)c(O)c2c1 8663766 CXKXTFKNRKRARD-UHFFFAOYSA-N 244.338 2.873 0 50 BFAA c1ccc2c(c1)CC[C@H](NCc1ccncc1)C2 23282808 ZVPNJNBOSBICMB-INIZCTEOSA-N 238.334 2.729 0 50 BFAA COC(=O)c1cnccc1-c1ccccc1 39235581 VOXLHHIYDOQDQU-UHFFFAOYSA-N 213.236 2.535 0 50 BFAA NC1(c2ccc(C(F)(F)F)cc2)CC1 51943589 RFWYCBTXBMMOBH-UHFFFAOYSA-N 201.191 2.653 0 50 BFAA in-vitro O=C1N[C@@H](Nc2ccccc2)c2ccccc21 71773044 UYGDTEOUPXULAQ-CYBMUJFWSA-N 224.263 2.541 0 50 BFAA O=C1CCc2c(Br)ccc(F)c21 85224919 HNXHWYGTXAJDEC-UHFFFAOYSA-N 229.048 2.717 0 50 BFAA in-vitro CC(C)(CN1CCCCCC1)Nc1ccncn1 91494026 JRFZWOOFIBXQKR-UHFFFAOYSA-N 248.374 2.543 0 50 BFAA COc1ccc(C(=O)C(C)(C)N2CCCC2)cc1 91532757 MHMMPDZKRGYVRU-UHFFFAOYSA-N 247.338 2.752 0 50 BFAA Fc1c(Cl)cccc1C1CCNCC1 121951424 PDEUKFRWJGXECV-UHFFFAOYSA-N 213.683 2.946 0 50 BFAA CC[C@@]1(CO)CCCN1C[C@@H]1CC=CCC1 221934936 OOUXLKWQIKSLMV-KGLIPLIRSA-N 223.360 2.580 0 50 BFAA O=C(O)C1(C(F)(F)F)CCCCCC1 1857783867 DDVVDMCODSRRCZ-UHFFFAOYSA-N 210.195 2.974 0 50 BFAA Cc1nc(N[C@H]2C=CCC2)nc(C)c1C 2356170169 YHPGFKWEZWZYKZ-NSHDSACASA-N 203.289 2.532 0 50 BFAA COc1cc(C=O)ccc1OCCC(C)C 35877 QMAVUZPWNRBYAO-UHFFFAOYSA-N 222.284 2.933 0 50 BFAA O=[P@](O)(Cc1ccccc1)c1ccccc1 235164 AQEDXENLOISWCY-UHFFFAOYSA-N 232.219 2.783 0 50 BFAA CCCn1c(NC(=O)CC)nc2ccccc21 274846 KFQGOQCGYCFOQG-UHFFFAOYSA-N 231.299 2.795 0 50 BFAA COc1ccc2[nH]c(N3CCCCC3)nc2c1 305268 KLJZYJJYRWZUKI-UHFFFAOYSA-N 231.299 2.562 0 50 BFAA Oc1cc(Br)ccc1Cl 336744 UEVFFMZHGNYDKM-UHFFFAOYSA-N 207.454 2.808 0 50 BFAA in-vitro Cc1cc(C)nc(NC(=O)Nc2ccccc2)n1 455281 MPVBQYNJWXEWMM-UHFFFAOYSA-N 242.282 2.737 0 50 BFAA CCOC(COc1ccccc1C)OCC 1641488 WOLBINULTWPZEC-UHFFFAOYSA-N 224.300 2.773 0 50 BFAA COc1ccc(CNc2ccccn2)cc1OC 1847056 UGXGHCBYVTVEOZ-UHFFFAOYSA-N 244.294 2.711 0 50 BFAA Cc1cccc(C)c1OC[C@H](N)C(C)C 2507479 YONZEVQTIYSTAP-LBPRGKRZSA-N 207.317 2.666 0 50 BFAA biogenic FC(F)(F)c1cccc(Br)n1 2526214 DOWNSQADAFSSAR-UHFFFAOYSA-N 225.995 2.863 0 50 BFAA in-vitro CC(=O)c1ccc(F)cc1Br 2555158 RCXFSBRMWBFWMH-UHFFFAOYSA-N 217.037 2.791 0 50 BFAA in-vitro C[C@@H](O)CNCc1ccc(-c2ccccc2)cc1 4657536 RAGWUJFEORDZIQ-CYBMUJFWSA-N 241.334 2.824 0 50 BFAA Cc1cccc(COc2ccc(C(N)=O)cc2)c1 6728249 SRHFNJADPLAZJF-UHFFFAOYSA-N 241.290 2.673 0 50 BFAA COC(=O)c1cccnc1-c1ccccc1 8700054 KWUIFNXSOUKTKE-UHFFFAOYSA-N 213.236 2.535 0 50 BFAA O=C1CCCc2c(Br)cccc21 15021492 DMXOUYZZHVHEQR-UHFFFAOYSA-N 225.085 2.968 0 50 BFAA in-vitro CC(C)c1ccc(CN2CCN(C)CC2)cc1 19536273 FUMNTALENLNZDW-UHFFFAOYSA-N 232.371 2.557 0 50 BFAA O=C(O)c1ccc(-c2ccc(F)cc2F)cn1 61863368 NIRPNVHMWSAYAO-UHFFFAOYSA-N 235.189 2.725 0 50 BFAA Cc1ccc(-n2cc(CCC(=O)O)cn2)c(C)c1 67741264 NEZZPWYHPZWAIA-UHFFFAOYSA-N 244.294 2.506 0 50 BFAA COc1cccc(C=O)c1C(F)(F)F 91252082 HSPNVFXNJYKWSK-UHFFFAOYSA-N 204.147 2.527 0 50 BFAA in-vitro Nc1cc(C(F)(F)F)c(Cl)cc1O 115055988 NFVHOFKLUSDFAD-UHFFFAOYSA-N 211.570 2.647 0 50 BFAA O=C(O)c1cc2c(Cl)c(F)ccc2[nH]1 140329299 VPXADRLFOWLPHM-UHFFFAOYSA-N 213.595 2.659 0 50 BFAA CCN(Cc1cccc(Cl)c1)C[C@@H](C)O 172563550 ZCMFEDGBWZWQOV-SNVBAGLBSA-N 227.735 2.543 0 50 BFAA C[C@@H](NC(=O)C1CCC1)[C@@H]1C[C@H]2CC[C@H]1C2 243148922 JNHOBKBZGZEFPQ-URBCHYCLSA-N 221.344 2.727 0 50 BFAA CN[C@@H](c1ccc(Cl)cc1)N1CCCC1 261506753 ARKCSVUBXILPLL-GFCCVEGCSA-N 224.735 2.654 0 50 BFAA Cc1cc(C)nc(NCCC[C@@H]2CCCCO2)n1 302236196 VMAFKZHDVKGBGO-ZDUSSCGKSA-N 249.358 2.855 0 50 BFAA O[C@]1(c2ccccc2)CCN(C2CCCC2)C1 670444385 MVBFYONKFAAYOO-OAHLLOKOSA-N 231.339 2.523 0 50 BFAA CCC(=O)N=c1ccc2ccc(Cl)c(C)c2[nH]1 2325724418 SNLCKBBVWSXPAJ-UHFFFAOYSA-N 248.713 2.967 0 50 BFAA CCc1ccccc1OCC(=O)NC1CCCC1 131413 WEWDAMOVUHBTQZ-UHFFFAOYSA-N 247.338 2.687 0 50 BFAA Oc1cccc(CN2CCc3ccccc3C2)c1 238601 LWYYVXYAPUGZEZ-UHFFFAOYSA-N 239.318 2.951 0 50 BFAA Cc1ccc(C(=O)NCc2ccccc2)cc1 241254 QIULRTIURUDCGH-UHFFFAOYSA-N 225.291 2.925 0 50 BFAA Brc1cccc(-c2ccn[nH]2)c1 2388332 NVRXIZHZQPRBKL-UHFFFAOYSA-N 223.073 2.839 0 50 BFAA in-vitro Cc1ccc(NC(=O)N[C@H](C)[C@@H]2CCCO2)cc1 2772835 CKXXJTFRQDBQJU-YPMHNXCESA-N 248.326 2.684 0 50 BFAA O[C@@H](CCN1CCCCC1)c1ccccc1 4764930 XCXFLKLOXBGAEP-AWEZNQCLSA-N 219.328 2.596 0 50 BFAA Cc1cc(C)nc(Sc2ccc(C=O)o2)n1 4840274 YBLHCWFVRGMHIZ-UHFFFAOYSA-N 234.280 2.650 0 50 BFAA O=C(Cc1ccc(Cl)cc1)N1CCCC1 6221426 XFWLOSYCPFWTSJ-UHFFFAOYSA-N 223.703 2.505 0 50 BFAA O=C(NCc1ccco1)Nc1cccc(F)c1 6741686 HGOWUXJCGBYIPW-UHFFFAOYSA-N 234.230 2.740 0 50 BFAA CC(=O)Nc1ccc(N2CCCCC2)c(F)c1 12379590 BQMZMAWGXIVNBS-UHFFFAOYSA-N 236.290 2.774 0 50 BFAA Oc1cc(O)cc(/C=C/c2c(O)cccc2O)c1 13340267 DQULNTWGBBNZSC-SNAWJCMRSA-N 244.246 2.679 0 50 BFAA biogenic CCCNC(=O)[C@@H](C)Oc1cc(C)ccc1C 13710628 KJLPSMXXGYRLBU-GFCCVEGCSA-N 235.327 2.597 0 50 BFAA CCNC/C=C/COc1cccc(C)c1 16622416 GTQYTOCPRLIAQP-SNAWJCMRSA-N 205.301 2.540 0 50 BFAA CCOC(=O)c1cncn1[C@@H](C)c1ccccc1 17364045 NPUKDXXFDDZOKR-NSHDSACASA-N 244.294 2.669 0 50 BFAA world COc1ccc2c(c1Br)CCC2=O 30678364 ZVBMFHJZYVGNSX-UHFFFAOYSA-N 241.084 2.587 0 50 BFAA CC(C)c1csc(CCNc2ccncn2)n1 91636019 DAIGZQZVXIFQIJ-UHFFFAOYSA-N 248.355 2.711 0 50 BFAA CC1=CC[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]2C1 100589642 LLSPPAAEVAOBTN-STQMWFEESA-N 247.338 2.660 0 50 BFAA Cc1ccoc1CN[C@H]1C[C@H](N)c2ccccc21 261562173 GIQTUKDIFQPHMF-KBPBESRZSA-N 242.322 2.822 0 50 BFAA Fc1ccc2c(c1)CC[C@@H]2Nc1cnccn1 301099257 NYQBSENXLGNPDM-LBPRGKRZSA-N 229.258 2.715 0 50 BFAA Cc1[nH]nc(C(F)(F)F)c1-c1ccncc1 952868651 QXPCMNXCQNBCBQ-UHFFFAOYSA-N 227.189 2.799 0 50 BFAA Fc1cc(-c2ccnnc2)ccc1OC(F)F 1242055950 OTWMUESZVZDECA-UHFFFAOYSA-N 240.184 2.884 0 50 BFAA C/C(=C\c1ccco1)CN[C@@H]1CCN(C)[C@@H](C)C1 1775987510 LPXVLKVNOSSTGL-UYEGUDHTSA-N 248.370 2.755 0 50 BFAA Cc1cc(C)n(C(=O)COc2ccccc2C)n1 142703 GJFWQXNVWWLNEL-UHFFFAOYSA-N 244.294 2.528 0 50 BFAA O=C1[C@@H]2Cc3ccccc3[C@@H]2C1(Cl)Cl 159169 KAGZBEUEDMPZCQ-BDAKNGLRSA-N 227.090 2.699 0 50 BFAA O=C(c1coc2ccc(O)cc12)C1CC1 229582 CIIPYHBBQOLDAR-UHFFFAOYSA-N 202.209 2.731 0 50 BFAA COC[C@H](C)NCc1ccc(SC)cc1 275561 CVBPCZQPPXQUEF-JTQLQIEISA-N 225.357 2.533 0 50 BFAA in-vitro Cc1occc1-c1nc(-c2ccccn2)no1 319878 KDRWFTBQORSHMJ-UHFFFAOYSA-N 227.223 2.700 0 50 BFAA Cc1nc(-c2ccccc2)ccc1C(=O)O 340695 XFJZPGWVRLQCHP-UHFFFAOYSA-N 213.236 2.755 0 50 BFAA in-vitro Cc1cc(Cl)ccc1OCCCC(=O)O 1680053 LLWADFLAOKUBDR-UHFFFAOYSA-N 228.675 2.892 0 50 BFAA biogenic,in-vitro Cc1cc(C)c2c(n1)CC(C)(C)CC2=O 2144041 PFTBQGGNRWHZTC-UHFFFAOYSA-N 203.285 2.854 0 50 BFAA COCCOC(=O)Nc1ccc(Cl)cc1C 2172088 ZYKHSEZHQPZTAL-UHFFFAOYSA-N 243.690 2.843 0 50 BFAA O=Cc1cc2cc(F)ccc2nc1Cl 2656558 AWXUFNXARKHKDY-UHFFFAOYSA-N 209.607 2.840 0 50 BFAA in-vitro O=C(/C=C/c1ccccc1)n1nnc2ccccc21 3898572 OYYVHLPZRRNXJQ-ZHACJKMWSA-N 249.273 2.785 0 50 BFAA C[C@@H]1CO[C@H](C[C@@H](C)c2ccccc2)O1 4184267 JVVKHPVHCMSPGX-WZRBSPASSA-N 206.285 2.942 0 50 BFAA CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)O 4771417 LLMLSUSAKZVFOA-XINAWCOVSA-N 209.072 2.662 0 50 BFAA in-vitro NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 5936654 XTPWJBLYVBMEQX-UHFFFAOYSA-N 221.643 2.699 0 50 BFAA COc1cccc([C@H](C)NC(=O)C2CCC2)c1 6729456 SMNHQEQOITXGKY-JTQLQIEISA-N 233.311 2.673 0 50 BFAA CON(C)C(=O)c1ccc(Cl)c(Cl)c1 12336372 HGNZLPFQRSFKBT-UHFFFAOYSA-N 234.082 2.627 0 50 BFAA Cc1cccc2c(=O)oc(-c3cccnc3)nc12 12421345 UAHVVVIBOPTVFX-UHFFFAOYSA-N 238.246 2.558 0 50 BFAA CC[C@@H](C)NC(=O)[C@H](C)Oc1cc(C)ccc1C 13710110 DIKWMGQSLHGBDL-OLZOCXBDSA-N 249.354 2.985 0 50 BFAA CCCCCc1ncncc1Br 15021329 BOKJNBADLRQINQ-UHFFFAOYSA-N 229.121 2.972 0 50 BFAA in-vitro O=C(Nc1cccnc1)[C@@H]1CC12CCCCC2 19839446 FBINDLYDEWNFNL-LBPRGKRZSA-N 230.311 2.991 0 50 BFAA C[C@@H]1CN(C/C=C/c2ccccc2)C[C@@H](C)O1 23281927 MJSOKZQNFQUZPA-VAIDBEGPSA-N 231.339 2.809 0 50 BFAA C[C@@H]1CN([C@H](C)c2ccc(F)cc2)CCO1 249115399 QQULBPAWSHVMCJ-GHMZBOCLSA-N 223.291 2.607 0 50 BFAA C=CC(=O)N[C@H](C1CCCC1)C1CCC1 711861912 IDUPCXORFAIAFF-CYBMUJFWSA-N 207.317 2.648 0 50 BFAA CCCn1nc(C)cc1NC(=O)[C@@H]1CC=CCC1 1506425346 OGRXXRYLXGOESI-GFCCVEGCSA-N 247.342 2.896 0 50 BFAA CCC(CC)N1CCN=C1NCc1ccccc1 1775993262 DBRJRIRXLVSYHA-UHFFFAOYSA-N 245.370 2.636 0 50 BFAA c1cn(CC[C@H]2CCCOC2)c(C2CC2)n1 1857741168 GOEFGXKCWZFUFI-LLVKDONJSA-N 220.316 2.577 0 50 BFAA O=C(O)[C@@]1(C(F)(F)F)C[C@H]2C=C[C@H]1CC2 1857783871 FNQPMZGSTBCJKX-ACLDMZEESA-N 220.190 2.606 0 50 BFAA CCOc1ccccc1C(=O)Nc1cc(C)on1 37392 LUKUPBBUHKIYLV-UHFFFAOYSA-N 246.266 2.634 0 50 BFAA CC(=O)c1ccc(OC(=O)C=C(C)C)cc1 149005 JFKGXHXIWKRHPA-UHFFFAOYSA-N 218.252 2.761 0 50 BFAA Clc1cccc(I)c1 167207 JMLWXCJXOYDXRN-UHFFFAOYSA-N 238.455 2.945 0 50 BFAA CNC(=O)Nc1ccc(Cl)c(Cl)c1 396195 IDQHRQQSSQDLTR-UHFFFAOYSA-N 219.071 2.745 0 50 BFAA biogenic,in-vitro Cc1ccc(NC(=O)NC2CC2)c(C)c1 397736 BDGIAHGKHDMJMI-UHFFFAOYSA-N 204.273 2.587 0 50 BFAA Cc1cc(N)nc(SCc2ccccc2)n1 465042 UNIQGWYGYQXIEY-UHFFFAOYSA-N 231.324 2.660 0 50 BFAA O=C(OCc1cncs1)C1CCCCC1 1403729 LXGXMSPFDJJEJC-UHFFFAOYSA-N 225.313 2.767 0 50 BFAA Nc1c(Br)cc(F)c(Cl)c1F 2516803 WSZBCJHYBMSVAM-UHFFFAOYSA-N 242.450 2.963 0 50 BFAA biogenic CN(C)c1ccc(F)cc1Br 2528582 VLXWMTFSGVQASW-UHFFFAOYSA-N 218.069 2.654 0 50 BFAA in-vitro CC[C@@H](NC(=O)[C@@H]1CCCO1)c1ccc(C)cc1 13328181 BTNVBFONMFJOEG-KGLIPLIRSA-N 247.338 2.741 0 50 BFAA COc1ccc(C)c(Br)c1 32151943 MGRYVEDNIGXKQE-UHFFFAOYSA-N 201.063 2.766 0 50 BFAA in-vitro C[C@@H](COc1ccccc1)NC(=O)C1CCCC1 55731074 POAGSNYFJJHMSL-LBPRGKRZSA-N 247.338 2.760 0 50 BFAA c1cc2c(c(-c3nccc4[nH]ccc34)c1)CCNC2 71759230 TVZHGOXTZDNZMU-UHFFFAOYSA-N 249.317 2.876 0 50 BFAA CCOc1ccc(CNC(=O)C2CCCC2)cc1 72115693 NPLUCGFUMDJFCA-UHFFFAOYSA-N 247.338 2.892 0 50 BFAA CCSCCn1nccc1-c1ccncc1 127837283 ULWIIZQEBUFQEX-UHFFFAOYSA-N 233.340 2.698 0 50 BFAA CCN(CC)c1cccc(C(F)(F)F)n1 220618514 VIXXIJFNQXYTKL-UHFFFAOYSA-N 218.222 2.947 0 50 BFAA CC[C@@H]1CCC[C@@H](N[C@H]2C[C@H]3CC[C@H]2O3)C1 245339386 SKGGYPQIOWZSTD-XGFWRYKXSA-N 223.360 2.865 0 50 BFAA Cc1ccc([C@]2(O)C3[C@H]4C5CC6[C@H]4C2[C@H]6[C@H]53)cc1 248118482 WHYBBQKFUVQAIC-CGYUAJIVSA-N 238.330 2.570 0 50 BFAA Cc1ccccc1[C@@H]1C[C@H](C)N([C@H](C)C(=O)O)C1 265779403 ISUZEUDDYACWPR-YNEHKIRRSA-N 247.338 2.646 0 50 BFAA COCc1cc(CNc2ccccn2)ccc1F 301176268 GEZZKHDATNSQGU-UHFFFAOYSA-N 246.285 2.979 0 50 BFAA N#Cc1c(F)ccc(F)c1OC(F)(F)F 396083701 IGIKUCKULZAADL-UHFFFAOYSA-N 223.100 2.735 0 50 BFAA O=C(N[C@H]1CCCc2ccccc21)OCCF 583651646 PZQCYUXOENPKOZ-LBPRGKRZSA-N 237.274 2.760 0 50 BFAA Cc1[nH]c2ccccc2c1NC(=O)CC(C)(C)O 585130437 PZFLSJNZKQJULM-UHFFFAOYSA-N 246.310 2.576 0 50 BFAA C=CC(=O)Nc1cc(OC)ccc1C1CC1 1353216965 YBOXREBDBSXQPI-UHFFFAOYSA-N 217.268 2.697 0 50 BFAA COC(=O)c1cccnc1Oc1ccccc1 132808 CYBVAKNBOUITGD-UHFFFAOYSA-N 229.235 2.661 0 50 BFAA O=C(O)c1ccc(Cc2ccccc2)o1 222329 OYAHUAHATRUQAN-UHFFFAOYSA-N 202.209 2.569 0 50 BFAA in-vitro CCNc1nnc(-c2ccccc2)s1 309843 UPXFLEWVKLVYFV-UHFFFAOYSA-N 205.286 2.637 0 50 BFAA CNc1ccc2c(c1)C(=O)c1ccccc1-2 393926 DOGAZPVCUUSMJM-UHFFFAOYSA-N 209.248 2.940 0 50 BFAA CC[C@@H](C)NC(=O)c1ccccc1SC 614777 BFJHOMADUJGBRP-SECBINFHSA-N 223.341 2.937 0 50 BFAA CC(=O)C(O)(c1ccccc1)c1ccccc1 1594419 WMEOMAYOFHGZIF-UHFFFAOYSA-N 226.275 2.512 0 50 BFAA Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C)o1 2772586 TWUALTHVBQUTBA-GXSJLCMTSA-N 221.300 2.897 0 50 BFAA CC1(C)N=C(S)C(c2ccccc2)=N1 4883288 QUDYXWDELXIWSL-UHFFFAOYSA-N 204.298 2.554 0 50 BFAA in-vitro CN1CCC[C@@H]1CCNC1CCCCCC1 4985713 BQRISDKXWFCCJB-CQSZACIVSA-N 224.392 2.783 0 50 BFAA Clc1ncnc2[nH]c3ccccc3c12 5777024 ZCYULQVZSXKVFP-UHFFFAOYSA-N 203.632 2.765 0 50 BFAA CCCn1c(S)nnc1-c1ccccc1 5904333 ANGVLMVJJZIJFZ-UHFFFAOYSA-N 219.313 2.644 0 50 BFAA in-vitro Brc1csc([C@@H]2CCCN2)c1 6658334 GRUJACRKOZWRRB-ZETCQYMHSA-N 232.146 2.935 0 50 BFAA in-vitro CCOc1ccccc1OC[C@H]1CCCCN1 19513339 RBZBJIBEVIIVHX-GFCCVEGCSA-N 235.327 2.606 0 50 BFAA CC(C)c1ccc(CN2CCCN(C)CC2)cc1 19536575 JCAAKDZTPYIGGO-UHFFFAOYSA-N 246.398 2.948 0 50 BFAA CCN1CCC[C@@H]1CNCc1ccccc1C 22935921 ABSIFLHDOZCSOW-OAHLLOKOSA-N 232.371 2.569 0 50 BFAA COc1ccc(-c2cccc(C(=O)O)c2)c(O)c1 65336990 SGIRAIBKNTZLQA-UHFFFAOYSA-N 244.246 2.766 0 50 BFAA in-vitro COCc1nc2cc(C[C@H]3CCCO3)ccc2o1 77436832 VFSCGMWRBKNSQZ-LLVKDONJSA-N 247.294 2.696 0 50 BFAA NC[C@H](c1ccccc1)N1CCCCCC1 95496177 NRZLUHQRMXSAGX-CQSZACIVSA-N 218.344 2.562 0 50 BFAA O=C1Nc2ccc(C(F)(F)F)cc2C12CC2 96028814 WSAUAGDJLWAALP-UHFFFAOYSA-N 227.185 2.689 0 50 BFAA COC(=O)C1[C@@]23CC=CC[C@]12CCCC3 101037449 FNMFUSXRJMNISV-STQMWFEESA-N 206.285 2.686 0 50 BFAA CCN(Cc1ncc(C)o1)c1cccc(O)c1 170608654 QAIQDBFRVRNASB-UHFFFAOYSA-N 232.283 2.715 0 50 BFAA Oc1cc(Cl)c(F)c(Br)c1 216703919 YBLPEACXXWQZDV-UHFFFAOYSA-N 225.444 2.947 0 50 BFAA C[C@H](N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccco1 248717907 LCUZRMXNMSDHLH-OIMNJJJWSA-N 247.338 2.888 0 50 BFAA Cc1cc(Br)nc(OC(F)F)c1 263622710 ADOZDKCQMGMKNT-UHFFFAOYSA-N 238.031 2.754 0 50 BFAA CC(C)(C)c1noc(-c2ccc(F)c(O)c2)n1 1875279338 SKPZCOPQMCCKNE-UHFFFAOYSA-N 236.246 2.879 0 50 BFAA Nc1ccc2c(c1)COc1ccccc1O2 111233 BBCNTUPSRJPPRA-UHFFFAOYSA-N 213.236 2.954 0 50 BFAA Cc1nc(C(F)(F)F)nc(Cl)c1C 166498 QKXBEKRDGUZIFQ-UHFFFAOYSA-N 210.586 2.766 0 50 BFAA biogenic,in-vitro Cn1c(-c2ccccc2)nc2cnccc21 290025 LBSXBFVRCAUUDK-UHFFFAOYSA-N 209.252 2.635 0 50 BFAA COc1cccc([C@H]2CCCCC2=O)c1 389801 KACQSVYTBQDRGP-GFCCVEGCSA-N 204.269 2.922 0 50 BFAA O=Cc1ncc(C(F)(F)F)cc1Cl 2526220 UANVTPLFKXDWHT-UHFFFAOYSA-N 209.554 2.566 0 50 BFAA in-vitro CCc1c(C)sc(N)c1C(=O)OC(C)C 2573213 WSBAKYOLBSFUPB-UHFFFAOYSA-N 227.329 2.766 0 50 BFAA in-vitro Cc1ccc(-n2ncc3ccccc3c2=O)cc1 2583605 ZJWOALHADJZGJS-UHFFFAOYSA-N 236.274 2.694 0 50 BFAA CCCCC(=O)Nc1ccc2c(c1)OCCO2 4038895 WZFDPEKYVKCKHJ-UHFFFAOYSA-N 235.283 2.587 0 50 BFAA Cc1nc2sc3c(c2c(=O)o1)CCCCC3 4100704 MMVCUDIQVWIEQW-UHFFFAOYSA-N 235.308 2.827 0 50 BFAA CC(C)n1c(-c2ccco2)n[nH]c1=S 6633954 AXBDLAPZXGIMID-UHFFFAOYSA-N 209.274 2.782 0 50 BFAA CCCNC(=O)Nc1cccc(CC)c1 6741057 OBTUQAIXSOKGFA-UHFFFAOYSA-N 206.289 2.781 0 50 BFAA CC[C@H](C)C(=O)Nc1cccc(N)c1C 8703436 HXKFTQFVVHJBJE-QMMMGPOBSA-N 206.289 2.562 0 50 BFAA in-vitro COc1ccc(NC(=O)c2ccc(C)cc2)cn1 11535921 YAFMLJHIBXYJFU-UHFFFAOYSA-N 242.278 2.651 0 50 BFAA COC(=O)C1(c2ccc(F)cc2)CCCC1 15014933 OWZHLLOIYGLVQZ-UHFFFAOYSA-N 222.259 2.811 0 50 BFAA CC(C)Oc1cccc(C(=O)[C@H]2CCCNC2)c1 67934506 JFAQFNGBSAIJEM-ZDUSSCGKSA-N 247.338 2.656 0 50 BFAA CCOC(=O)c1ccc2[nH]ccc2c1Cl 89204442 XMITXDRVJYVXRB-UHFFFAOYSA-N 223.659 2.998 0 50 BFAA in-vitro Cc1ccc(O)c(CN2CCC[C@@H](C)CC2)n1 156024286 FEEUVRYYURHPTM-LLVKDONJSA-N 234.343 2.718 0 50 BFAA O=[N+]([O-])c1ccc(-c2ccncc2F)cc1 166889451 GEARXMITLJZVDI-UHFFFAOYSA-N 218.187 2.796 0 50 BFAA COc1cccc2c1[C@H]1[C@@H]3[C@H]2[C@H]2C=C[C@H]2[C@H]31 248264321 YCSMNJDXPUOOSB-WRGKJPRWSA-N 210.276 2.938 0 50 BFAA c1cc(CN2CCCC23CCCC3)on1 365512042 IMGDMBLHAKDWSZ-UHFFFAOYSA-N 206.289 2.583 0 50 BFAA CC[C@H](C)NC(=O)c1ccc(-c2c[nH]nc2C)o1 534633537 CLOGGYYTSWMSFH-QMMMGPOBSA-N 247.298 2.506 0 50 BFAA CCCn1nc(C(C)C)nc1-c1cccn1C 823033098 MDOPCCMJMWREMQ-UHFFFAOYSA-N 232.331 2.817 0 50 BFAA C[C@]12C[C@@H]1CN(c1ncnc3sccc13)C2 1772811213 RDPUDZACYLQWDT-PRHODGIISA-N 231.324 2.538 0 50 BFAA Oc1cncc(-c2ccc3ccc(O)nc3c2)c1 1875244862 XPQYZXKWMKWFAM-UHFFFAOYSA-N 238.246 2.708 0 50 BFAA CCn1cc(-c2csc3c(O)nccc23)cn1 1875356499 OKBMUQCANAJSRW-UHFFFAOYSA-N 245.307 2.885 0 50 BFAA CCN(CC)c1ccc2c(C)cc(=O)oc2c1 57145 AFYCEAFSNDLKSX-UHFFFAOYSA-N 231.295 2.948 0 50 BFAA biogenic,in-vitro Oc1cccc2ccc(Br)nc12 1856925 KPRKBBMEWFPQDJ-UHFFFAOYSA-N 224.057 2.703 0 50 BFAA Cc1ccc(OCCCC(=O)NC(C)C)c(C)c1 1913823 NALSOYIWODBYDI-UHFFFAOYSA-N 249.354 2.987 0 50 BFAA Oc1c(Cl)cc(F)cc1Br 2527877 CRWILTIFGXJONJ-UHFFFAOYSA-N 225.444 2.947 0 50 BFAA in-vitro O=C(NC1CCCC1)c1c(F)cccc1F 4869919 NRDHNIDKGYCTTQ-UHFFFAOYSA-N 225.238 2.637 0 50 BFAA CCOc1ccccc1Nc1n[nH]c(=S)[nH]1 6247020 LSXPDGRAHWXVEL-UHFFFAOYSA-N 236.300 2.610 0 50 BFAA FC(F)(F)Oc1cccc(-c2c[nH]cn2)c1 32517974 AGYJRJSUZJZFBS-UHFFFAOYSA-N 228.173 2.975 0 50 BFAA C[C@@H](Nc1ncnc2[nH]cnc12)c1cccs1 32577784 LLMQJUAJYXRRNT-SSDOTTSWSA-N 245.311 2.588 0 50 BFAA Cc1nn(C)c(Cl)c1[C@H](O)c1cccs1 71773287 RZHKWYBMOSTAQU-SECBINFHSA-N 242.731 2.525 0 50 BFAA Fc1cccc(Cl)c1NCc1ncccn1 160373337 HIBYEUXHPGAAIU-UHFFFAOYSA-N 237.665 2.881 0 50 BFAA Cc1ccc(Cc2noc([C@H]3CCCO3)n2)cc1 225590094 ATOHSQPBZDGUTI-GFCCVEGCSA-N 244.294 2.820 0 50 BFAA COC(=O)c1cc(F)c(C)cc1Br 253533115 JUAHBVLDMKKXIN-UHFFFAOYSA-N 247.063 2.683 0 50 BFAA CCc1nc(-c2c[nH]c3ccc(C)cc23)nn1C 426444640 QFARJVHYPVNRHY-UHFFFAOYSA-N 240.310 2.834 0 50 BFAA COc1n[nH]c(-c2ccccc2OCC(C)C)n1 426641477 VSGJHMWMWLAHGF-UHFFFAOYSA-N 247.298 2.515 0 50 BFAA CC(C)(C)OC(=O)NCc1ccc(C=O)s1 575442693 HKPSHJKELZXERP-UHFFFAOYSA-N 241.312 2.585 0 50 BFAA Cc1nocc1NC(=O)N[C@H]1CC12CCCCC2 585119530 JWUXVPXHLZPHIC-NSHDSACASA-N 249.314 2.827 0 50 BFAA C[C@H](c1ccc(F)nc1)N1CCC=C(F)C1 585133194 AKGUIHBYPBFEFZ-SECBINFHSA-N 224.254 2.841 0 50 BFAA CC(C)CNCc1cncc(C(F)(F)F)c1 725244054 NDQOVJARRFCKGR-UHFFFAOYSA-N 232.249 2.846 0 50 BFAA Cc1cc2c[nH]nc2cc1[C@@H]1CNC[C@@H](C)C1 757207538 BVNSLHQPBIIHSX-ONGXEEELSA-N 229.327 2.584 0 50 BFAA Cc1ccc2n[nH]cc2c1[C@@H]1CNCC[C@@H]1C 757215588 WGIRJMBUKYLWPS-GXSJLCMTSA-N 229.327 2.584 0 50 BFAA O=C(CCC1CC1)N1CCCc2cc(O)ccc21 2325806439 UZDPQTAXYNZIJB-UHFFFAOYSA-N 245.322 2.862 0 50 BFAA CCOC(=O)c1cc2ccccc2nc1C 36674 DUBPJEDOCJXVKG-UHFFFAOYSA-N 215.252 2.720 0 50 BFAA in-vitro CCOC(=O)c1c(N)sc2ccccc12 78114 XNASJEQIJMDBQN-UHFFFAOYSA-N 221.281 2.660 0 50 BFAA in-vitro Cc1c(N)cccc1-c1nc2ncccc2o1 266879 IPNBOLYXGONZDK-UHFFFAOYSA-N 225.251 2.780 0 50 BFAA CC(C)c1ccc(C(=O)NC2=NCCS2)cc1 309686 GRXDKWWLFPZLIZ-UHFFFAOYSA-N 248.351 2.643 0 50 BFAA O=Cc1ccccc1OC(=O)/C=C/c1ccco1 463005 PLRFGVLSHNUHHJ-BQYQJAHWSA-N 242.230 2.711 0 50 BFAA CCn1nccc1C(=O)Nc1ccc(C)cc1F 469323 RFHQWSQSHNOZEB-UHFFFAOYSA-N 247.273 2.603 0 50 BFAA Cc1cc(OCCCC(=O)O)ccc1Cl 1680052 PHYYXFKRVUCUBW-UHFFFAOYSA-N 228.675 2.892 0 50 BFAA in-vitro C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)O 2044160 DMJZZNRMJJGRNF-VIFPVBQESA-N 222.284 2.836 0 50 BFAA Cn1nc2c(c1C(C)(C)C)C(=O)c1ccccc1-2 2582146 FHSRNLWTSBTQGF-UHFFFAOYSA-N 240.306 2.929 0 50 BFAA CCOC(=O)CCCCNCc1ccccc1 3028190 CCEGDRQLOIQHLF-UHFFFAOYSA-N 235.327 2.510 0 50 BFAA CCCCC[C@H]1C(=O)CC[C@H]1CC(=O)O 3978809 PQEYTAGBXNEUQL-VHSXEESVSA-N 212.289 2.637 0 50 BFAA endogenous,in-man COC(=O)c1cc2c(C)cc(C)c(C)c2[nH]1 4237922 UGEHGELJFQLBBM-UHFFFAOYSA-N 217.268 2.880 0 50 BFAA in-vitro CC(C)(C)NC(=O)N1CCc2ccccc2C1 4977908 QFVXUFDJYHLUBA-UHFFFAOYSA-N 232.327 2.553 0 50 BFAA c1cc2c(c(OCC3CCNCC3)c1)CCCC2 12137830 MGYSIUZVGJHYNQ-UHFFFAOYSA-N 245.366 2.944 0 50 BFAA in-vitro CN(C)Cc1ccc(-c2cccc(CO)c2)cc1 33359890 GWJJMAINZWXYFK-UHFFFAOYSA-N 241.334 2.908 0 50 BFAA Cc1cc(Cl)n(C[C@@H](O)c2ccccc2)n1 34538936 HIURBVRAAWHKNG-LLVKDONJSA-N 236.702 2.579 0 50 BFAA Cc1ccc([C@H]2CC(=O)c3cn[nH]c3C2)s1 95117780 DOVCDGMZQPEKTL-MRVPVSSYSA-N 232.308 2.692 0 50 BFAA CC(C)(C)OC(=O)N[C@H]1CCC(F)(F)C1 95933009 SCXQXMBCRMLPGO-ZETCQYMHSA-N 221.247 2.699 0 50 BFAA Oc1c(F)ccc(Br)c1Cl 140032010 CPHWYUNHLSYXED-UHFFFAOYSA-N 225.444 2.947 0 50 BFAA CCOC(=O)C[C@H]1CCc2cc(F)ccc21 143469602 GANKZZYXVVRHAW-SNVBAGLBSA-N 222.259 2.809 0 50 BFAA O=C1CCC2(CC1)OCCc1ccccc12 143732324 NQSJYXXNSYQYCZ-UHFFFAOYSA-N 216.280 2.598 0 50 BFAA CC(C)(C)OC(=O)Nc1cc(O)ccc1F 144615055 XFWNAVKWCCUQAL-UHFFFAOYSA-N 227.235 2.878 0 50 BFAA CN(C(=O)C1=CCCC1)c1ccccc1F 151973535 KMTXZWSODFIVDX-UHFFFAOYSA-N 219.259 2.899 0 50 BFAA CCNc1ncc(C(=O)Nc2ccccc2)s1 176941249 VYONREUWULBBTO-UHFFFAOYSA-N 247.323 2.827 0 50 BFAA CCCCOc1c(F)cc(O)cc1F 261493673 GVIAVDHMDMJERU-UHFFFAOYSA-N 202.200 2.849 0 50 BFAA O=Cc1ccc(-c2noc(C3CCC3)n2)s1 725273639 RMQLPILQCNSIFA-UHFFFAOYSA-N 234.280 2.878 0 50 BFAA CCNc1cc2oc(=O)cc(C)c2cc1C 266372 QZXAEJGHNXJTSE-UHFFFAOYSA-N 217.268 2.842 0 50 BFAA biogenic CCOC(=O)N(OC)c1ccc(Cl)cc1 400488 IEJAZVCTKVBASX-UHFFFAOYSA-N 229.663 2.864 0 50 BFAA COc1ccccc1OCc1ccc(C(=O)O)o1 2570273 XJPSQFNUKMCBOD-UHFFFAOYSA-N 248.234 2.565 0 50 BFAA CCOC(=O)C[C@@H](N)c1ccccc1C(C)C 2582547 JDLVFHVYQAUSGT-CYBMUJFWSA-N 235.327 2.763 0 50 BFAA COc1ccc([C@@H](O)c2ccccc2)cc1OC 4255546 YUSIFTKKBCLPAD-HNNXBMFYSA-N 244.290 2.786 0 50 BFAA NC(=S)c1ccc(OCc2ccccc2)cc1 5592439 ZKFQPUSTRDXEAA-UHFFFAOYSA-N 243.331 2.900 0 50 BFAA CC(C)(C)OC(=O)Nc1cccc(C=O)c1 6744103 JEUBPGIHGQWLAJ-UHFFFAOYSA-N 221.256 2.846 0 50 BFAA in-vitro CC(=O)CCc1c(C)[nH]c2ccc(C)cc2c1=O 8738507 VBAFYOQIWGMAQE-UHFFFAOYSA-N 243.306 2.667 0 50 BFAA biogenic C[C@H]1CN(CCCc2ccccc2)C[C@H](C)O1 19634916 OYZFWSZQGOHONP-KBPBESRZSA-N 233.355 2.728 0 50 BFAA Fc1ccc2[nH]cc(C3=CCNCC3)c2c1 22010815 NOBJPJHWOFGLFA-UHFFFAOYSA-N 216.259 2.684 0 50 BFAA in-vitro COc1cc2ccccc2cc1C(=O)N(C)C 24032559 XJXJMOHVZJXFNG-UHFFFAOYSA-N 229.279 2.550 0 50 BFAA O=C1OCC[C@@]23CC=CC[C@@]12CCCC3 45028076 ITCACGSPBXVUJH-QWHCGFSZSA-N 206.285 2.830 0 50 BFAA CCCCOC(=O)OCC(F)(F)F 146765656 IKXNIAZOEQIMHF-UHFFFAOYSA-N 200.156 2.502 0 50 BFAA Cc1cc(C)nc(NC(=O)OCC(F)(F)F)c1 157187130 PXQGEVBKZBCTCR-UHFFFAOYSA-N 248.204 2.809 0 50 BFAA C[C@H]1C[C@H](C)CC[C@@H]1NCC[C@H](C)[S@@](C)=O 195560780 OJRBYTJFTMKNKF-FDZNKFEOSA-N 245.432 2.558 0 50 BFAA Fc1ncc(Br)cc1C(F)F 238605744 BMPXRHMVKOFTSU-UHFFFAOYSA-N 225.995 2.921 0 50 BFAA CC(=O)N1CCC[C@H](c2cc3ccccc3[nH]2)C1 244060939 TYRQZMZVDSWPHI-ZDUSSCGKSA-N 242.322 2.894 0 50 BFAA C[C@H](NC(=O)c1ccoc1)[C@@H]1C[C@H]2CC[C@H]1C2 273494268 OXHAAOBYRYTEOK-ZPFDUUQYSA-N 233.311 2.834 0 50 BFAA Cc1cc(C)cc(OCc2nncs2)c1 902118452 KGOULRPFGZQGOZ-UHFFFAOYSA-N 220.297 2.734 0 50 BFAA CCSc1cc(Br)cnc1N 1857784168 JGRYYQUDQXYECC-UHFFFAOYSA-N 233.134 2.538 0 50 BFAA COc1ccc(C(=O)c2ccc(C)cc2)c(O)c1 500 MJVGBKJNTFCUJM-UHFFFAOYSA-N 242.274 2.940 0 50 BFAA world CCN(CC)CC(=O)Nc1c(C)cccc1C 20237 NNJVILVZKWQKPM-UHFFFAOYSA-N 234.343 2.584 0 50 BFAA biogenic,fda COc1ccc(CC(=O)NC2CCCCC2)cc1 142289 OUQSDJMKYLLVED-UHFFFAOYSA-N 247.338 2.687 0 50 BFAA in-vivo C=Cn1c(C(=O)O)ccc1-c1ccc(OC)cc1 259211 WXJPEJGLSPARIH-UHFFFAOYSA-N 243.262 2.962 0 50 BFAA O=C(COC(=O)c1ccccc1)c1ccccc1 285469 YDZANNORUSYHFB-UHFFFAOYSA-N 240.258 2.726 0 50 BFAA biogenic CC(=O)c1c(C)nn(-c2ccccc2)c1C 295021 BYBPRELHKWHPLX-UHFFFAOYSA-N 214.268 2.692 0 50 BFAA in-vitro Cc1cc(C(=O)Nc2ccc(C)c(C)c2)no1 426270 OHRBAZHQYKUODU-UHFFFAOYSA-N 230.267 2.852 0 50 BFAA O=C(O)c1cc(-c2ccccc2Cl)on1 810961 ZNPCZHXBSWBBCV-UHFFFAOYSA-N 223.615 2.693 0 50 BFAA in-vitro CCCOC(=O)Nc1ccc(OC)cc1 2166550 DBQISPFSTBONKB-UHFFFAOYSA-N 209.245 2.654 0 50 BFAA O=Cc1c[nH]nc1-c1ccc(Cl)cc1 4674334 XSFZGZIGMMWQKR-UHFFFAOYSA-N 206.632 2.543 0 50 BFAA CCOCCCNC(=O)Nc1ccc(C)cc1 4741262 DZGJQJUODHYPJR-UHFFFAOYSA-N 236.315 2.543 0 50 BFAA O=C(NC1CCCCCC1)c1ccccn1 4761523 SVRXABGPKJMHKG-UHFFFAOYSA-N 218.300 2.534 0 50 BFAA O[C@@H]1CCCCCCCCCC[C@H]1O 4773230 HAMFVYJFVXTJCJ-VXGBXAGGSA-N 200.322 2.623 0 50 BFAA in-vitro Cc1cc(C(=O)O)ccc1NC(=O)c1ccco1 5050305 CZJAOOFHZPRODD-UHFFFAOYSA-N 245.234 2.539 0 50 BFAA CCCCSc1nc(CCC)cc(=O)[nH]1 8772863 ZQGLOVBUZIZBBB-UHFFFAOYSA-N 226.345 2.615 0 50 BFAA Cc1cccnc1NC(=O)OC(C)(C)C 12478442 MJPLUXLNYQHWIU-UHFFFAOYSA-N 208.261 2.737 0 50 BFAA in-vitro C[C@H](N)[C@@H]1C[C@@H]1c1ccccc1Br 20594419 JJRCPHOYTSNRQT-UJNFCWOMSA-N 240.144 2.900 0 50 BFAA O=C(O)c1ccc(F)c(-c2ccccc2CO)c1 65349868 DFDHDRLYIMVPGY-UHFFFAOYSA-N 246.237 2.683 0 50 BFAA in-vitro c1ccc(Oc2ccccc2-c2nnn[nH]2)cc1 90751791 GHCLLWCBVCNWTJ-UHFFFAOYSA-N 238.250 2.659 0 50 BFAA in-vitro O=C(O)c1cnc(Cl)c2ccccc12 91691440 VAPWFBQHRVYUDV-UHFFFAOYSA-N 207.616 2.586 0 50 BFAA in-vitro Cc1cccc(SCCn2cccn2)c1 120998482 QEXXYSGUKLEWRS-UHFFFAOYSA-N 218.325 2.984 0 50 BFAA CC(C)(C)CCN[C@H]1CCO[C@H](C2CC2)C1 188506614 ZNGAHZONPSMLSS-STQMWFEESA-N 225.376 2.970 0 50 BFAA CCCc1noc([C@@H](C)N2CCC[C@@H](C)C2)n1 229120031 FQARJKDRGABXFF-GHMZBOCLSA-N 237.347 2.815 0 50 BFAA C[C@H](O)C[C@H](C)CN[C@@H]1CC[C@@H](C)[C@H](C)C1 253369839 IQXHOTIPBGZYRD-MQLXINIDSA-N 227.392 2.808 0 50 BFAA c1nc(N2CCC[C@@H]2C2CCC2)c2cc[nH]c2n1 263980799 BDDRHCCHCFMOJZ-GFCCVEGCSA-N 242.326 2.727 0 50 BFAA c1nc(N2CCC(C3CC3)CC2)c2cc[nH]c2n1 368305143 SFCVKCSISFGPSJ-UHFFFAOYSA-N 242.326 2.584 0 50 BFAA CC(C)(C)[C@@H]1CCC[C@@H]1NCc1cc[nH]n1 414536116 MPCYOKRSVIYQNK-NEPJUHHUSA-N 221.348 2.714 0 50 BFAA COc1ccc(F)cc1-c1ncnn1C(C)C 426369360 QHAVEVGCULKJBK-UHFFFAOYSA-N 235.262 2.674 0 50 BFAA N=c1cc2cc(-c3ccncc3F)ccc2c[nH]1 426518778 LELAKYKWEJGZSX-UHFFFAOYSA-N 239.253 2.848 0 50 BFAA Cc1nc([C@]2(c3ccc(F)cc3)CC2(C)C)n[nH]1 670450283 WJGYMGNQKHHNKG-CQSZACIVSA-N 245.301 2.968 0 50 BFAA Cc1cc2c[nH]nc2cc1[C@@H]1CNC[C@H](C)C1 757207533 BVNSLHQPBIIHSX-KOLCDFICSA-N 229.327 2.584 0 50 BFAA Cc1cccc(-c2cc(NC(C)C)nc(N)n2)c1 1506401034 LYVOXXXUBJBABF-UHFFFAOYSA-N 242.326 2.855 0 50 BFAA CNC(=O)CSC[C@@H]1CCC=CCCC1 1775985342 WBXWOUJERZENAV-LLVKDONJSA-N 227.373 2.602 0 50 BFAA Cc1cc(NC(=O)N2CCC[C@H]3C[C@H]32)cnc1C 1875297171 FNEKBTUNWUMBLM-WCQYABFASA-N 245.326 2.715 0 50 BFAA COc1ccc(C)cc1-n1nc2ccccc2n1 35116 UKIGOZLXUVBVSS-UHFFFAOYSA-N 239.278 2.738 0 50 BFAA CC(=O)Nc1cccc2c(NC(C)=O)cccc12 241993 ULUIRSHKJWANPP-UHFFFAOYSA-N 242.278 2.757 0 50 BFAA biogenic CCC(=O)c1ccc(OC)c(C)c1OC 393065 AEDLWPLURGCFTR-UHFFFAOYSA-N 208.257 2.605 0 50 BFAA biogenic O=C(COc1ccccc1)c1ccccc1 402073 KRSXGTAVHIDVPM-UHFFFAOYSA-N 212.248 2.948 0 50 BFAA biogenic,in-vitro Cc1cc(C(=O)O)cc(C(C)(C)C)c1O 409860 GGGUNKQEEMUVIG-UHFFFAOYSA-N 208.257 2.696 0 50 BFAA COC(=O)NCc1ccc(Cl)c(Cl)c1 473605 NHFGAHINNOYDOY-UHFFFAOYSA-N 234.082 2.849 0 50 BFAA Nc1ccccc1-[n+]1ccc(-c2ccncc2)cc1 501470 YTXCMRKPKNXGEE-UHFFFAOYSA-N 248.309 2.608 0 50 BFAA Nc1ccc(-c2ccc(C(=O)O)cc2)cc1 1746121 ZSFKODANZQVHCK-UHFFFAOYSA-N 213.236 2.634 0 50 BFAA O=Cc1cn(Cc2cccnc2)c2ccccc12 8702348 IZVHSPWRENAINT-UHFFFAOYSA-N 236.274 2.897 0 50 BFAA NCc1ccc(Cl)cc1C(F)(F)F 12359228 VPKIGWHSTBKRTA-UHFFFAOYSA-N 209.598 2.818 0 50 BFAA CCOc1ccc(C(=O)N[C@H](C)CC)cc1C 13582202 KGCIDBXYCBWMEU-LLVKDONJSA-N 235.327 2.922 0 50 BFAA CC(C)(C)OC(=O)n1c(CO)cc2ccccc21 21996181 RUYWVLLULLUPTR-UHFFFAOYSA-N 247.294 2.917 0 50 BFAA Cc1cc(C)cc(OCC(=O)NC(C)(C)C)c1 41104098 GTOHHOPGMWHCLG-UHFFFAOYSA-N 235.327 2.597 0 50 BFAA CC(C)(C)c1nccn1-c1ccc2c(c1)OCO2 67804001 AYYJQPHLGQMHCC-UHFFFAOYSA-N 244.294 2.899 0 50 BFAA COC(Cc1ccc(C(F)(F)F)cc1)OC 71773584 LFPVFWUAVYTJNP-UHFFFAOYSA-N 234.217 2.867 0 50 BFAA CC(C)(C)C(=O)NCCCc1ccc(F)cc1 72117577 WUYXWQYOKMKRTO-UHFFFAOYSA-N 237.318 2.921 0 50 BFAA CCNC(C)(C)C(=O)c1ccccc1CC 96027219 VYBADPNPWRPNCW-UHFFFAOYSA-N 219.328 2.820 0 50 BFAA Cc1nn(C[C@@H](O)c2ccccc2F)c(C)c1C 191389135 VUJJXBKCNKWYFD-CQSZACIVSA-N 248.301 2.681 0 50 BFAA CN1c2cc(Cl)ccc2NC(=O)C1(C)C 228431261 GLQQJRYPPVQGKH-UHFFFAOYSA-N 224.691 2.507 0 50 BFAA Nc1cc2ncc(Br)cc2s1 238630709 ZYZRSWYENLXTHO-UHFFFAOYSA-N 229.102 2.641 0 50 BFAA Clc1cnc(-n2cccc2)c(-c2cn[nH]c2)c1 426381846 ZXFCIDHTIYHWEA-UHFFFAOYSA-N 244.685 2.916 0 50 BFAA C[C@H](CN(C)Cc1ccc2occc2c1)C(=O)O 901598688 PFTMMPDIUQTNMR-SNVBAGLBSA-N 247.294 2.585 0 50 BFAA C[C@@H]1CCN(C(=O)C2=CC(C)(C)C2)CCS1 1615587038 UGUUXAUVRGHSPR-SNVBAGLBSA-N 239.384 2.697 0 50 BFAA Cc1cc(C)c2[nH]c(C)c(CCN)c2c1 140715 XRDRQYRTEZXWLN-UHFFFAOYSA-N 202.301 2.594 0 50 BFAA in-vitro NCC[C@H](c1ccccc1)c1ccco1 308741 UHZRFMKKTZNLNH-GFCCVEGCSA-N 201.269 2.760 0 50 BFAA in-vitro Cc1nn(Cc2ccc(Cl)cc2)c(C)c1N 392138 UIVQOUVTCNRONU-UHFFFAOYSA-N 235.718 2.784 0 50 BFAA CCCCC(=O)Nc1ccc(C(=O)OC)cc1 2057696 HIRPPTLJDACDSQ-UHFFFAOYSA-N 235.283 2.602 0 50 BFAA C[C@@H]1C[C@@H]1C(=O)NCc1ccccc1Cl 2805955 NMOUSSKELMDEIW-SCZZXKLOSA-N 223.703 2.612 0 50 BFAA Cc1cc2c(N3CCCCC3)ncnc2s1 2877187 AIYBCPTUPJMHRO-UHFFFAOYSA-N 233.340 2.990 0 50 BFAA Nc1ccc2c(cnn2Cc2ccccc2)c1 3614913 BQUSMTPKYUILPD-UHFFFAOYSA-N 223.279 2.667 0 50 BFAA in-vitro Cc1cc(C[C@H]2CCCCCN2)cc(C)n1 4234902 SPGNEZQSVLUIBF-CQSZACIVSA-N 218.344 2.773 0 50 BFAA in-vitro Cc1cccc(C(=O)Nc2cccc(N)c2)c1 5588200 UKCPUGSGOXBKBS-UHFFFAOYSA-N 226.279 2.830 0 50 BFAA in-vitro COc1cccc(NC(=O)c2ccc(N)cc2)c1 7468111 WVEFNAWDWIDKIQ-UHFFFAOYSA-N 242.278 2.530 0 50 BFAA CC1=CC[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]2C1 18182104 LLSPPAAEVAOBTN-OLZOCXBDSA-N 247.338 2.660 0 50 BFAA Cc1cc(Br)cc(C)c1C(=O)O 19801600 DJZAABLAECNINV-UHFFFAOYSA-N 229.073 2.764 0 50 BFAA in-vitro FC(F)(F)Oc1ccc2c(c1)NCC2 26894122 CZFUAUSGMISVFX-UHFFFAOYSA-N 203.163 2.553 0 50 BFAA in-vitro CCOCCOc1ccc(Br)cc1 35085889 QACZJJNHOATNHA-UHFFFAOYSA-N 245.116 2.864 0 50 BFAA CCOc1c(F)cc(N)cc1Br 65336904 BKPHRBXTKLFFHS-UHFFFAOYSA-N 234.068 2.569 0 50 BFAA in-vitro C1CCC(CN2CCC[C@@]3(CCNC3)C2)CC1 72141618 PNLPASNFZZTOFD-HNNXBMFYSA-N 236.403 2.642 0 50 BFAA c1nnc(-c2ccc(OCC3CC3)cc2)o1 123825484 AEEJRBGWGGUDNE-UHFFFAOYSA-N 216.240 2.525 0 50 BFAA CC[C@@H](NCCO)c1cccc(Cl)c1F 135042387 KKNRABLBHMPAGR-SNVBAGLBSA-N 231.698 2.512 0 50 BFAA C=CC(=O)N[C@@H]1CCC[C@H]2CCCC[C@H]21 141055927 LKPFVVUIGDXNNU-IJLUTSLNSA-N 207.317 2.648 0 50 BFAA CC(C)[C@H](N[C@@H](C)CO)c1ccc(F)c(F)c1 170073284 VKYZVZAYBOIKQC-ZANVPECISA-N 243.297 2.632 0 50 BFAA C=CC(=O)Nc1ccc(-n2nc(C)cc2C)cc1 196914608 GVPHIBRSMMBXNS-UHFFFAOYSA-N 241.294 2.614 0 50 BFAA CCC[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)OCC 242304992 YTWLYZARXLUWAX-YNEHKIRRSA-N 241.375 2.887 0 50 BFAA CCSCCSCc1cnns1 298293967 QGEWGYVUWOIBPH-UHFFFAOYSA-N 220.388 2.524 0 50 BFAA CCc1cc(-c2cccc3ccnn23)nc(C)n1 426690712 QEXMYCANZZXIKU-UHFFFAOYSA-N 238.294 2.662 0 50 BFAA O=C(/C=C/c1ccsc1)Nc1ccc(F)nc1 492118845 NHWSSTWIZUTTGJ-DAFODLJHSA-N 248.282 2.934 0 50 BFAA C[C@@H]1C[C@@H](C)CN(CN2C[C@H](C)C[C@@H](C)C2)C1 725377896 FWHHSHGFMAGIGE-KBUPBQIOSA-N 238.419 2.900 0 50 BFAA O=C(O)c1c(-c2ccccc2)nn2c1CCCC2 1857778913 PPVNAIGJYZKGTJ-UHFFFAOYSA-N 242.278 2.585 0 50 BFAA CC(=O)Nc1cccc([C@@H](O)CC(F)(F)F)c1 1875274732 WGEMHZRGIJLLTL-JTQLQIEISA-N 247.216 2.631 0 50 BFAA CN(C(=O)C1CC1)c1ccc2ncccc2c1 2325781553 FXACBPYWDRSIAO-UHFFFAOYSA-N 226.279 2.608 0 50 BFAA O=C(NC1CCCCCC1)c1cccnc1 29331 YCNAIZSBSFXJGD-UHFFFAOYSA-N 218.300 2.534 0 50 BFAA O=C(O)c1ccc(C(F)(F)F)c(F)c1 57042 HRIHSNPFVGMAKX-UHFFFAOYSA-N 208.110 2.543 0 50 BFAA in-vitro CC(=O)CSc1nc2ccccc2s1 127565 YKOPAUBBWPNUKT-UHFFFAOYSA-N 223.322 2.977 0 50 BFAA CCCN(CCO)Cc1ccccc1Cl 277666 IUKUZONVXXDJFI-UHFFFAOYSA-N 227.735 2.544 0 50 BFAA Cc1cc(C)cc(NC(=S)NC(=O)C2CC2)c1 358915 NVOYRZXIBNYOPS-UHFFFAOYSA-N 248.351 2.526 0 50 BFAA CN(C)C(=O)Nc1cccc2ccccc12 395035 OUFIYSOVKBPIAU-UHFFFAOYSA-N 214.268 2.933 0 50 BFAA O=C(Nc1ccncc1)c1c(F)cccc1F 1054680 VLBULEGEZPKUMX-UHFFFAOYSA-N 234.205 2.612 0 50 BFAA CC(=O)Nc1cc(Br)ccc1F 1682852 DCMNLQCVRYDPMY-UHFFFAOYSA-N 232.052 2.547 0 50 BFAA in-vitro COc1ccc2ccccc2c1/C=C/C(=O)O 2504985 AOYGYGJJEGVZLW-VQHVLOKHSA-N 228.247 2.946 0 50 BFAA COc1cc2c(cc1OC)[C@@H](C(C)C)NCC2 4262283 IRWSLTSAQIJKQL-CQSZACIVSA-N 235.327 2.547 0 50 BFAA Nc1nc2ccc(Br)cc2s1 4774482 VZEBSJIOUMDNLY-UHFFFAOYSA-N 229.102 2.641 0 50 BFAA in-vitro NNc1ccnc2cc(Cl)cc(Cl)c12 5940893 XQPMSFQCUQUKDF-UHFFFAOYSA-N 228.082 2.827 0 50 BFAA in-vitro c1ccc(-c2ccc(N3CCNCC3)cc2)cc1 6015692 OAKBDDKEEOAXNV-UHFFFAOYSA-N 238.334 2.763 0 50 BFAA in-vitro Cc1ccc(C)c([C@@H](N)c2cccnc2)c1 19972421 NULQARXVUXOZBH-AWEZNQCLSA-N 212.296 2.747 0 50 BFAA O=C(O)c1cccc(-c2ccccc2CO)c1 22011143 LIUSEGRHRKNETK-UHFFFAOYSA-N 228.247 2.544 0 50 BFAA in-vitro CCSc1ccc(-c2cnc(N)nc2)cc1 32577689 IFJSYCNBCWTFPA-UHFFFAOYSA-N 231.324 2.838 0 50 BFAA C[C@@H](CCCC(C)(C)O)NC1CCSCC1 32587298 HLAGCVJMEFJZJC-NSHDSACASA-N 245.432 2.801 0 50 BFAA CCC(=O)N[C@H](C)COc1ccc(C)c(C)c1 72117775 KQIQIZBWUFCQML-GFCCVEGCSA-N 235.327 2.597 0 50 BFAA c1ccc2c(c1)CC[C@@H]2N[C@H]1CCCOCC1 86869899 BPAQMNOJPQXUMK-ZFWWWQNUSA-N 231.339 2.833 0 50 BFAA COc1ccc(C#Cc2ccccc2N)cc1 135920134 YAXVIURCVHCTST-UHFFFAOYSA-N 223.275 2.677 0 50 BFAA COC(=O)c1ccc(OC(F)(F)F)c(F)c1 169796003 PCXZKNUCZKRCDQ-UHFFFAOYSA-N 238.136 2.511 0 50 BFAA CCS[C@H]1CCC[C@@H]1Nc1nc(C)ns1 195542707 MWHYCNYMQRYDPW-IUCAKERBSA-N 243.401 2.933 0 50 BFAA CCOC(=O)c1ccccc1NOCC1CC1 221816159 JGDHDCNNQCKOAI-UHFFFAOYSA-N 235.283 2.617 0 50 BFAA FC(F)(F)c1n[nH]c2ccc(Cl)nc12 307396833 PVQTYNOHVCYTOM-UHFFFAOYSA-N 221.569 2.630 0 50 BFAA Cn1cncc1-c1noc(CCC2CCCC2)n1 333180750 MPAMPIQJYIQUBN-UHFFFAOYSA-N 246.314 2.593 0 50 BFAA COc1c(N)ccnc1-c1cccc(F)c1F 426668928 BBZNGWNDPONGMM-UHFFFAOYSA-N 236.221 2.618 0 50 BFAA C[C@H](CN(C)CC1(CO)CCC1)c1ccccc1 670457655 QMIIELJJVCJZHD-CQSZACIVSA-N 247.382 2.885 0 50 BFAA Cc1ccc2n[nH]cc2c1[C@@H]1CNC[C@H](C)C1 757216111 XSVSDLGPQNDFIA-KOLCDFICSA-N 229.327 2.584 0 50 BFAA CC(C)(C)OC(=O)N[C@@H]1CO[C@H]1c1ccccc1 952992355 KPUGRXZBDTYJQP-NEPJUHHUSA-N 249.310 2.651 0 50 BFAA C[C@@](N)(CCC(F)(F)F)C(F)(F)F 1772718206 XQYZISXQYWDMFM-SCSAIBSYSA-N 209.133 2.609 0 50 BFAA O=C(N1CCc2c(Cl)cccc21)C12CC1C2 1875362188 UYBJLJAMNNUYRR-UHFFFAOYSA-N 233.698 2.639 0 50 BFAA C[C@@H]1C[C@@H](OC(=O)c2ccccc2)CC(C)(C)N1 319775 ZYHGIAPHLSTGMX-DGCLKSJQSA-N 247.338 2.763 0 50 BFAA biogenic,in-vitro c1ccc(-c2nnc(-c3ccccc3)nn2)cc1 350319 XAUWSIIGUUMHQQ-UHFFFAOYSA-N 234.262 2.601 0 50 BFAA biogenic,in-vitro CCNC(=O)COc1ccc(Cl)cc1Cl 408510 WSSDNRHQSUZZFN-UHFFFAOYSA-N 248.109 2.508 0 50 BFAA CC(C)NC(=O)C[C@H](C)c1ccccc1 860217 IAADGNRUCRJGLD-NSHDSACASA-N 205.301 2.705 0 50 BFAA Brc1cccc(-n2cccn2)c1 4200668 KUWAIOZTKMAIPI-UHFFFAOYSA-N 223.073 2.635 0 50 BFAA in-vitro N[C@H](C(=O)O)c1ccc(Oc2ccccc2)cc1 4202361 MOHPYKSOEQKFBU-ZDUSSCGKSA-N 243.262 2.563 0 50 BFAA CCNCCOc1ccc(Cl)c(CC)c1 6704040 ZHTZBOGLVMEUCC-UHFFFAOYSA-N 227.735 2.891 0 50 BFAA CC(C)c1nc2c3ccccc3nc(S)n2n1 12243750 IUGWUOSFOGGGBF-UHFFFAOYSA-N 244.323 2.690 0 50 BFAA Cc1ccc([C@H](CN)N2CCC(C)CC2)cc1 32445531 RJRUFVDQHGNTAA-HNNXBMFYSA-N 232.371 2.727 0 50 BFAA CC(C)Oc1ccc(N)c(Br)c1 40571688 HIHIRNZVMBCSOF-UHFFFAOYSA-N 230.105 2.819 0 50 BFAA Nc1cccc(SCC(F)(F)F)c1 85928470 KMYQCBMXXMOPSD-UHFFFAOYSA-N 207.220 2.923 0 50 BFAA CCCC[C@@H](NC)C(=O)c1ccc(C)cc1 96032832 BDTHWVVHQBNAGU-CYBMUJFWSA-N 219.328 2.956 0 50 BFAA in-vitro COc1cc(F)ccc1-c1cccc([C@H](C)O)n1 96148082 JLUJQEGYONOMNY-VIFPVBQESA-N 247.269 2.950 0 50 BFAA S=C1N=CN=C2SC3=C(CCCC3)[C@@H]12 221362935 PPLFMPJZBLQOBS-QMMMGPOBSA-N 222.338 2.945 0 50 BFAA O=C1[C@H]2CCC[C@@H]1Cc1ccccc1C2 225564561 JDPWDBCJEISEEA-BETUJISGSA-N 200.281 2.771 0 50 BFAA in-vitro Cc1c(F)cc(Br)cc1C(=O)O 238483212 NIAUVDRUTMQEBK-UHFFFAOYSA-N 233.036 2.595 0 50 BFAA Cc1nccn1[C@H](C)C(=O)N1CCCCCCC1 426523256 VQPIUWVMQTWLHQ-GFCCVEGCSA-N 249.358 2.545 0 50 BFAA C[C@@H](CC1CCCCC1)NC[C@H](O)C1CC1 689831129 BNSVCJBBSDUQEU-FZMZJTMJSA-N 225.376 2.706 0 50 BFAA C[C@H](NCc1noc2c1CCCC2)[C@H]1CC12CC2 888095952 GCRYPHDULVCZKE-CMPLNLGQSA-N 246.354 2.832 0 50 BFAA CC(C)c1ccc(-c2cccnc2N(C)C)nn1 1875248117 ZNPBSISPKOZXJP-UHFFFAOYSA-N 242.326 2.728 0 50 BFAA C=CC(=O)N[C@H]1CC[C@H](C)c2ccccc2C1 1875368154 UUQPWOSTPALJNP-AAEUAGOBSA-N 229.323 2.797 0 50 BFAA C[C@H]1CCCN(C(=O)[C@@H](C)Oc2ccccc2)C1 30484 KUNCMVZNJCVBNU-QWHCGFSZSA-N 247.338 2.712 0 50 BFAA O=C(O)C[C@@H]1CCC[C@@H](c2ccccc2)C1=O 276950 WTBDYAFOVHATCN-RYUDHWBXSA-N 232.279 2.614 0 50 BFAA biogenic CCOc1ccc(NC(=O)C(F)(F)F)cc1 282812 SPQLXRCPBSSJCE-UHFFFAOYSA-N 233.189 2.586 0 50 BFAA biogenic COc1ccc2oc(C)c(C(C)=O)c2c1 350312 BUDDPKSFYHCLKL-UHFFFAOYSA-N 204.225 2.952 0 50 BFAA COC(=O)c1cc2c(Cl)cccc2[nH]1 2534074 VCWSTLMSXZPPMD-UHFFFAOYSA-N 209.632 2.608 0 50 BFAA in-vitro Cc1sc(-c2ccccc2)nc1CC(=O)O 2565056 SZYXURFSAUXFNT-UHFFFAOYSA-N 233.292 2.746 0 50 BFAA in-vitro CCOc1ccc(Cc2cnc(N)s2)cc1 3072627 MKQHNAYBZYUSTR-UHFFFAOYSA-N 234.324 2.715 0 50 BFAA Nc1ccnn1Cc1c(Cl)cccc1Cl 4219185 RBBUZPGMZQSXCP-UHFFFAOYSA-N 242.109 2.820 0 50 BFAA CCc1ccc(C(=O)NCc2ccccn2)cc1 4749817 GZVONJQJKBYSJU-UHFFFAOYSA-N 240.306 2.574 0 50 BFAA CCn1c(-c2ccc(N(C)C)cc2)n[nH]c1=S 6419133 VYKNSOMKGROGHF-UHFFFAOYSA-N 248.355 2.694 0 50 BFAA C[C@@H]1CN(CCCc2ccccc2)C[C@@H](C)O1 19634910 OYZFWSZQGOHONP-ZIAGYGMSSA-N 233.355 2.728 0 50 BFAA COC[C@@H](C)NCc1ccc(C(F)(F)F)cc1 19904480 UOYKODSVWADPAZ-SECBINFHSA-N 247.260 2.830 0 50 BFAA OCc1ccc(Br)c(Cl)c1 67794651 QXKNNVRGECWRKK-UHFFFAOYSA-N 221.481 2.595 0 50 BFAA in-vitro COC(=O)c1csc(-c2ccc(F)cc2)n1 85221042 FSVPWBHNWNRJRL-UHFFFAOYSA-N 237.255 2.736 0 50 BFAA O=C1CCC(c2ccccc2)(N2CCC2)CC1 114477022 URYQTQDYBURNGY-UHFFFAOYSA-N 229.323 2.731 0 50 BFAA CC(C)(C)OC(=O)n1ncc2cc(O)ccc21 261494202 RUVAJUODOYPQDW-UHFFFAOYSA-N 234.255 2.525 0 50 BFAA CO[C@@]1(C)CCCN(Cc2ccsc2)C1 280687023 VJTQNCUXJPZLPN-LBPRGKRZSA-N 225.357 2.749 0 50 BFAA CC1(C(=O)N2CC3(CC3)C2)CCCCCC1 335391781 ACGUVDUHKBDHAB-UHFFFAOYSA-N 221.344 2.969 0 50 BFAA Cc1nc(-c2cc3c(nc2O)[C@H](C)CCC3)no1 585120421 MNXVPPYDLCWDJU-SSDOTTSWSA-N 245.282 2.585 0 50 BFAA c1ccc(N=c2scc3n2CCC3)cc1 1775938105 FVUNBNROYMBAHO-UHFFFAOYSA-N 216.309 2.728 0 50 BFAA C=CC(=O)Nc1ccn([C@H](C)c2ccccc2)n1 1776000150 DLRSEWTWURTSEJ-LLVKDONJSA-N 241.294 2.617 0 50 BFAA C[C@H]1C[C@H]1CC(=O)Nc1ccc(Cl)nc1 1875259928 STKIKXLIUNTXBF-YUMQZZPRSA-N 224.691 2.720 0 50 BFAA C=CC(=O)Nc1cccc(F)c1OCC(C)C 1875368918 FSACZPKORHENFO-UHFFFAOYSA-N 237.274 2.985 0 50 BFAA Clc1nc(-c2cccs2)ns1 166681 MRMAZVGSIMWZOZ-UHFFFAOYSA-N 202.691 2.920 0 50 BFAA in-vitro C[C@H]1CCC[C@H](NC(=O)COc2ccccc2)C1 406709 JBWQWECAMPHZCG-STQMWFEESA-N 247.338 2.760 0 50 BFAA CCCCC[C@@H]1C(=O)CC[C@@H]1CC(=O)OC 2077814 KVWWIYGFBYDJQC-MNOVXSKESA-N 226.316 2.725 0 50 BFAA biogenic,in-vitro C1=C(c2ccccc2)N2CCCN=C2S1 3091295 XZWPLVUQTBSUBV-UHFFFAOYSA-N 216.309 2.794 0 50 BFAA Cc1ccc(F)cc1NC(=O)c1c(C)noc1C 6389086 AFMUPOZZZZZUHE-UHFFFAOYSA-N 248.257 2.991 0 50 BFAA Cc1cc(C)nc(NC(=O)/C=C/c2ccco2)c1 8548806 IRTLHUMHZOSPLL-AATRIKPKSA-N 242.278 2.943 0 50 BFAA c1ccc2c3c([nH]c2c1)[C@H](c1ccncc1)NCC3 19688750 MTYAQGYHCVXXRK-HNNXBMFYSA-N 249.317 2.798 0 50 BFAA Cc1nn(CC(C)C)c2[nH]c(-c3ccco3)nc12 20774426 OEBOKJSYDDXTOP-UHFFFAOYSA-N 244.298 2.984 0 50 BFAA COc1ccc(-c2ccc(C)nc2N)c(OC)c1 32565229 DGSDWXDLDYSRJF-UHFFFAOYSA-N 244.294 2.656 0 50 BFAA CCCCN(CCCN)Cc1ccccc1 32919747 HGBNEDDSLZOPLJ-UHFFFAOYSA-N 220.360 2.638 0 50 BFAA CC(C)(C)c1ncc(Br)cn1 34080656 FAAQGONYZKWBKC-UHFFFAOYSA-N 215.094 2.537 0 50 BFAA in-vitro Nc1nccc2cc(Br)ccc12 35270063 PZNNAAGLKCNZKE-UHFFFAOYSA-N 223.073 2.580 0 50 BFAA in-vitro CCC(=O)Nc1cc(NC(=O)C2CC2)ccc1C 36567072 POCDFXLIFHQYKW-UHFFFAOYSA-N 246.310 2.692 0 50 BFAA Clc1cc(Br)nc2[nH]ccc12 42689472 OVLYMSBXUYTCSP-UHFFFAOYSA-N 231.480 2.979 0 50 BFAA in-vitro O=C(O)c1ccc(-c2ccccc2O)c(F)c1 65349537 CEMOOGNGXFJXCR-UHFFFAOYSA-N 232.210 2.897 0 50 BFAA COc1cccc(Cl)c1-c1ccnc(CO)c1 65371581 XEFGBXCTZQNQQP-UHFFFAOYSA-N 249.697 2.903 0 50 BFAA FC(F)(F)c1cc(NC2CCCC2)[nH]n1 79387751 ZAKOMZAPXUOAPI-UHFFFAOYSA-N 219.210 2.783 0 50 BFAA COc1cc(C=O)ccc1C(F)(F)F 91252083 XIRCMFYUQKUYJZ-UHFFFAOYSA-N 204.147 2.527 0 50 BFAA in-vitro COC(=O)C(F)(F)c1ccccc1Cl 97756856 CEMQXYMELNVHCH-UHFFFAOYSA-N 220.602 2.605 0 50 BFAA CCN1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1 177307568 DKZKGHSTLQGELN-CVEARBPZSA-N 244.382 2.745 0 50 BFAA COC(=O)Cc1cc(Cl)c(F)cc1Cl 260725777 CROYYROFWAEJLJ-UHFFFAOYSA-N 237.057 2.848 0 50 BFAA C=CC(=O)N[C@@H](C)[C@@H]1CC2CCC1CC2 307571566 BQJCHZLIIGNQPA-XKGSQUFQSA-N 207.317 2.503 0 50 BFAA O=Cc1c(F)ccc2sc(C(=O)O)cc12 396316079 KQTVIEKTSACAEA-UHFFFAOYSA-N 224.212 2.551 0 50 BFAA Cc1c2c(cc3c1CCOC3=O)CC(C)(C)C2 2332925109 YUBXLDJKZOHDNI-UHFFFAOYSA-N 230.307 2.833 0 50 BFAA COC(=O)CCSc1ccc(Cl)cc1 396243 DAMGUOXWBLUJSL-UHFFFAOYSA-N 230.716 2.995 0 50 BFAA O=C1Nc2ccccc2NC(=O)c2ccccc21 401273 AIGWPBSEKQCBBR-UHFFFAOYSA-N 238.246 2.505 0 50 BFAA COc1ccc([C@H]2CC(=O)C(C)(C)O2)cc1 484930 AAJJPLKUORUBGJ-LLVKDONJSA-N 220.268 2.504 0 50 BFAA biogenic CN1CCC(Nc2ccc(F)c(Cl)c2)CC1 757077 BZJNYLDXTWJKII-UHFFFAOYSA-N 242.725 2.985 0 50 BFAA CC[C@H](C)c1ccc(NC(=O)COC)cc1 2751942 FGCXBGDFQXKPOA-JTQLQIEISA-N 221.300 2.785 0 50 BFAA CCc1c(F)c(F)c(F)c(F)c1C(=O)O 2906063 BKUSWHYXCYBQJU-UHFFFAOYSA-N 222.137 2.504 0 50 BFAA Clc1cccc(CNc2ncn[nH]2)c1Cl 5019307 ZTFDGRDSNSLFHG-UHFFFAOYSA-N 243.097 2.724 0 50 BFAA FC(F)(F)c1cc(-c2ccco2)[nH]n1 8700517 WLHBEPWHYFFYHR-UHFFFAOYSA-N 202.135 2.689 0 50 BFAA in-vitro CC(C)(C)c1ccc2occ(CC(N)=O)c2c1 12381759 SGXPAFSZEJWEOF-UHFFFAOYSA-N 231.295 2.758 0 50 BFAA CC(=O)n1cc(/C=C(\C)[N+](=O)[O-])c2ccccc21 13400653 UISGIULTTSNPKI-VQHVLOKHSA-N 244.250 2.939 0 50 BFAA CN(C)Cc1ccc([C@@H]2CCCCN2)cc1 19087953 LKYXWYHLHCVKNO-AWEZNQCLSA-N 218.344 2.563 0 50 BFAA CC(C)NCc1cc(-c2ccccc2)[nH]n1 19088357 WKXNUTGXKURPSJ-UHFFFAOYSA-N 215.300 2.575 0 50 BFAA in-vitro O=c1ccc2cc(C(F)(F)F)ccc2[nH]1 26474751 CPOPNSYBDVMTGJ-UHFFFAOYSA-N 213.158 2.547 0 50 BFAA in-vitro CC(C)(CO)c1cccc(Br)c1 32015731 IAJLEXJOQGSTAW-UHFFFAOYSA-N 229.117 2.719 0 50 BFAA Cc1ccc(C(=O)[C@@H](C)N2CCCC2)cc1 33952402 APSJUNFBAXIXLK-GFCCVEGCSA-N 217.312 2.662 0 50 BFAA in-vitro Cc1cc(C)cc(-n2ncc3c2CCC[C@H]3N)c1 66055192 LFRTVNMBHGEHRH-CQSZACIVSA-N 241.338 2.825 0 50 BFAA in-vitro Cc1ccc2nc(-c3cccnc3N)[nH]c2c1 82291844 DYVAQJIBANCZAB-UHFFFAOYSA-N 224.267 2.516 0 50 BFAA CCN[C@@]1(c2ccccc2C)CCCCC1=O 96027546 HKZJTLUUERICPT-OAHLLOKOSA-N 231.339 2.943 0 50 BFAA O=C(CC(=O)C(F)(F)F)c1ccc(F)cc1 100013982 KEZLARPKXOHKJS-UHFFFAOYSA-N 234.148 2.530 0 50 BFAA CC(C)(C)OC(=O)n1ccc2ncccc21 114529371 AEOODQOVWXMMNU-UHFFFAOYSA-N 218.256 2.820 0 50 BFAA c1ccc(-n2ccc(-c3ccncc3)n2)cc1 118159800 NFMUSZXKVNYWQQ-UHFFFAOYSA-N 221.263 2.934 0 50 BFAA Cc1cccc(C(=O)Cc2ccncc2)c1F 132004813 PZUVEIPVEVOPNP-UHFFFAOYSA-N 229.254 2.955 0 50 BFAA CNc1nnc(-c2cc3ccccc3o2)s1 132051092 KGHRFCKXMSAXLJ-UHFFFAOYSA-N 231.280 2.993 0 50 BFAA COC(=O)c1cc(-c2ccc(F)cc2)ccc1O 143855942 CDIIKUBOHXOKOT-UHFFFAOYSA-N 246.237 2.985 0 50 BFAA O=[S@@](OCc1ccccc1)c1ccccc1 197399380 GTSQMEFZVYAYQK-INIZCTEOSA-N 232.304 2.926 0 50 BFAA S=c1[nH]c2nc(C3CC3)ncc2s1 203392727 PUOUYZSOZBSKDE-UHFFFAOYSA-N 209.299 2.626 0 50 BFAA COc1ccc(C(C)(C)N)c(Cl)c1OC 238351210 XMCASFXOJUDAML-UHFFFAOYSA-N 229.707 2.551 0 50 BFAA O=C(Nc1cccc(F)c1)N1CCC=C(F)C1 272428780 CPCYDZLAFULQBY-UHFFFAOYSA-N 238.237 2.917 0 50 BFAA CC1(C)OCC[C@H]1Nc1ncnc2sccc12 296396217 VJTCCNXTARYOCB-SECBINFHSA-N 249.339 2.671 0 50 BFAA COc1cc(OC)cc(-c2cc(C(=O)O)co2)c1 378945467 LKFCFTZCNQJQMB-UHFFFAOYSA-N 248.234 2.662 0 50 BFAA CSCc1cccc(-c2cncn2C)c1 585090011 LLGFBJLIRDINIU-UHFFFAOYSA-N 218.325 2.950 0 50 BFAA Oc1cccc2c1CC[C@@H]2NCc1cnsc1 687228076 FNJAGMOKUUUVDL-LBPRGKRZSA-N 246.335 2.626 0 50 BFAA Clc1ccccc1SCc1nc[nH]n1 1164575439 KNZOYAYUUAAVJQ-UHFFFAOYSA-N 225.704 2.750 0 50 BFAA Cc1sc(C=O)c(Br)c1C 1857785055 HHIAIGKFRKGQBT-UHFFFAOYSA-N 219.103 2.940 0 50 BFAA CC(=O)Nc1cccc([C@H](O)CC(F)(F)F)c1 1875274733 WGEMHZRGIJLLTL-SNVBAGLBSA-N 247.216 2.631 0 50 BFAA Cc1ccccc1CCCn1cnc([C@H](C)O)c1 1875275100 XPGMDYJUZSICEF-ZDUSSCGKSA-N 244.338 2.878 0 50 BFAA Nc1cc(-c2cccc(C(F)(F)F)c2)n[nH]1 170835 UKCQZEKREUKMTN-UHFFFAOYSA-N 227.189 2.678 0 50 BFAA in-vitro O=C1c2ccccc2[C@H]2OCc3ccccc3N12 213960 HOGLTLSXJBYIMW-OAHLLOKOSA-N 237.258 2.876 0 50 BFAA CC[C@@H](C)C(=O)Nc1nnc(C(C)(C)C)s1 303631 CJBVXYSKEHHGQU-SSDOTTSWSA-N 241.360 2.820 0 50 BFAA Cc1ccc(C(=O)Nc2cc(C)on2)cc1 438787 WXLKEGOUIRQNKM-UHFFFAOYSA-N 216.240 2.544 0 50 BFAA C[C@H]1CN(C2C3CC4CC(C3)CC2C4)C[C@@H](C)O1 761385 CARTZNRWSOUZSV-RVJXWWCESA-N 249.398 2.920 0 50 BFAA CCCCc1ccccc1NS(=O)(=O)CC 6706515 MBGGROWVTAFFHT-UHFFFAOYSA-N 241.356 2.791 0 50 BFAA CCCCNC(=O)c1ccc(OC)c(C)c1 13945942 FGEGBUAWPSNKKW-UHFFFAOYSA-N 221.300 2.534 0 50 BFAA CCN(CC)CCN(C)[C@H]1CCC[C@@H](C)C1 23283332 YDPGOMKMVCAXNB-KGLIPLIRSA-N 226.408 2.839 0 50 BFAA CC[C@H]1CN(CCCc2ccccc2)CCN1C 32551028 RPRVLBJAPXPGKX-INIZCTEOSA-N 246.398 2.645 0 50 BFAA c1ccc2oc(-c3ncnc4nc[nH]c34)cc2c1 32561720 NMLXRHKRJZNWOA-UHFFFAOYSA-N 236.234 2.766 0 50 BFAA Cc1nn(C)c2ccc(Br)cc12 36533432 FMYUTSXDZFFESE-UHFFFAOYSA-N 225.089 2.644 0 50 BFAA in-vitro CC(C)(C)CC(C)(C)NCCCCN 43437369 OQMXHVKNNUIWHT-UHFFFAOYSA-N 200.370 2.530 0 50 BFAA Cc1nc(C)c(C)c(NCc2csc(C)n2)n1 95370352 FCQBNYNGMHQYNC-UHFFFAOYSA-N 248.355 2.779 0 50 BFAA C1=CC[C@]23C=C[C@@]2(C1)[C@H]1C=C[C@H]3[C@@H]2COC[C@@H]21 101046608 QXBDRQSGBBHKCP-PLZKBRGSSA-N 226.319 2.957 0 50 BFAA CC(=O)C1(C)CCN(C(=O)OC(C)(C)C)CC1 201909784 YBYYACQGRIOADW-UHFFFAOYSA-N 241.331 2.613 0 50 BFAA COC(=O)c1cc2cc(C(F)(F)F)ccc2[nH]1 205907086 FXGFFFIBKZLKIY-UHFFFAOYSA-N 243.184 2.973 0 50 BFAA CC[C@H](N)C(=O)N(CC1CCC1)c1ccccc1 253432720 NAIIQUDBORCRIE-AWEZNQCLSA-N 246.354 2.557 0 50 BFAA c1nc(N2CCCC3(CC2)CC3)c2cc[nH]c2n1 624718862 FDGLHKJUYWSQMX-UHFFFAOYSA-N 242.326 2.728 0 50 BFAA C=CC(=O)N1CCC[C@H](c2ccccc2)CC1 791348932 LIKRVWQWLWELPF-AWEZNQCLSA-N 229.323 2.969 0 50 BFAA Cc1ncsc1CN[C@H]1C[C@H]2C=C[C@@H]1CC2 863983671 LZCAXBJIFPJUBR-TUAOUCFPSA-N 234.368 2.896 0 50 BFAA c1cnnc(-c2nc(C3CCC3)cs2)c1 887276852 AVPYASRISVBTBD-UHFFFAOYSA-N 217.297 2.868 0 50 BFAA COc1cccc(C)c1C(=O)N[C@@H]1C=CCCC1 1506398204 AIDBYYJHVVOVQX-GFCCVEGCSA-N 245.322 2.842 0 50 BFAA c1ccc(-c2nccnc2-c2ccccn2)nc1 120268 WTZDTUCKEBDJIM-UHFFFAOYSA-N 234.262 2.601 0 50 BFAA c1coc(-c2nnc(-c3ccco3)o2)c1 261855 ZLERZJGQBHZNSR-UHFFFAOYSA-N 202.169 2.590 0 50 BFAA biogenic Cc1ccc(NC(=O)Cc2cccs2)nc1 365234 DBWUXFZPARYHIG-UHFFFAOYSA-N 232.308 2.633 0 50 BFAA CN(C=O)c1ccc2c(c1)Cc1ccccc1-2 398874 ZIPOKCPUJLZHCC-UHFFFAOYSA-N 223.275 2.850 0 50 BFAA COC(=O)c1ccc(-c2cccc(CO)c2)cc1 1256808 AOLDHHIJNRNIEB-UHFFFAOYSA-N 242.274 2.633 0 50 BFAA COC(=O)c1ccc(-c2cccc(N)c2)cc1 1259552 VXTVRZIUOJSIIN-UHFFFAOYSA-N 227.263 2.722 0 50 BFAA Cc1ccc(C(=O)O)c(C(F)(F)F)c1 2382292 PHJOGJTZXVBKJO-UHFFFAOYSA-N 204.147 2.712 0 50 BFAA in-vitro Cc1occc1C(=O)NCc1ccc(F)cc1 2757067 JJIOTSOXXFBSDX-UHFFFAOYSA-N 233.242 2.657 0 50 BFAA Cc1cc(C)n(C(=O)/C=C/c2ccccc2)n1 4322617 PLXULMXYKHEUIH-CMDGGOBGSA-N 226.279 2.854 0 50 BFAA CC[C@@H](C)NC(=O)N[C@@H](C)c1ccc(F)cc1 13746401 QXEBSCYDVKOQAI-ZJUUUORDSA-N 238.306 2.984 0 50 BFAA C[C@@H](c1nc(-c2cccs2)no1)n1cccn1 20601792 DTMCLMJHDQIQNR-QMMMGPOBSA-N 246.295 2.604 0 50 BFAA CC(C)=CCC[C@H](C)CN1CCOCC1 23281713 RTRUDLYNOVLLPF-ZDUSSCGKSA-N 211.349 2.701 0 50 BFAA CCc1ccc(N)cc1Br 66325967 IPHAQVXZIPRVRG-UHFFFAOYSA-N 200.079 2.594 0 50 BFAA in-vitro COCC(C)(C)NCc1ccc(SC)cc1 135057544 MWTJKZUTNKLNQC-UHFFFAOYSA-N 239.384 2.923 0 50 BFAA C=C(F)[Si](C)(c1ccccc1)c1ccccc1 169945453 IBMIUWHXFMPYLJ-UHFFFAOYSA-N 242.369 2.902 0 50 BFAA Cc1ccccc1CCCn1ccnc1 175916059 JQRCBTMQKBVASF-UHFFFAOYSA-N 200.285 2.824 0 50 BFAA Cc1noc(CN2CCC[C@H]3CCCC[C@H]32)n1 230057386 GOSWMGQZUSIBPG-VXGBXAGGSA-N 235.331 2.533 0 50 BFAA COc1cncc(CN(C)c2ccccc2F)c1 241401101 NBEGCFNIWDWPBU-UHFFFAOYSA-N 246.285 2.866 0 50 BFAA COCc1nc2cc(-c3cc(C)[nH]n3)ccc2o1 534580388 DEBORBXPNJYWEC-UHFFFAOYSA-N 243.266 2.673 0 50 BFAA CC(C)(C)OC(=O)n1cc2c(c1)C(=O)CCC2 642882276 OLFWCRFYEXVDJO-UHFFFAOYSA-N 235.283 2.790 0 50 BFAA Cc1cc(C=Cc2ccncn2)cc(C)c1O 1857530924 IBUGYHIDLGNSBR-UHFFFAOYSA-N 226.279 2.969 0 50 BFAA CCC[C@@H](CC)[S@@](=O)CCOC1CCC1 1875279229 HEXMQVGEPCMKAW-DOMZBBRYSA-N 232.389 2.883 0 50 BFAA Cc1ccsc1-c1cnc2ncccn12 1875321633 PEWLXOLZGMGRLC-UHFFFAOYSA-N 215.281 2.766 0 50 BFAA Cc1ccc(NC(=O)c2ccco2)cc1F 38902 FOXCEPCWZSVGPZ-UHFFFAOYSA-N 219.215 2.979 0 50 BFAA CC(=O)NC1([C@@H]2CCCCC2=O)CCCCC1 190537 OGKWIIQZJMKHDJ-GFCCVEGCSA-N 237.343 2.585 0 50 BFAA c1ccc(Cc2nc(-c3ccccn3)no2)cc1 317963 PWTJEKDYKXTIIR-UHFFFAOYSA-N 237.262 2.722 0 50 BFAA CCCc1cc(C(=O)O)c2ccccc2n1 406244 GHWNIFKWPIVEPC-UHFFFAOYSA-N 215.252 2.886 0 50 BFAA in-vitro COc1ncc(Br)cc1Cl 2539918 XCHXNAQRMMXBGN-UHFFFAOYSA-N 222.469 2.506 0 50 BFAA in-vitro c1ccc(-c2cccc(N3CCNCC3)c2)cc1 4240855 MHBONQZDOYFHIB-UHFFFAOYSA-N 238.334 2.763 0 50 BFAA in-vitro CCNC(=O)[C@H]1C[C@H](C)CC[C@@H]1C(C)C 4284429 VUNOFAIHSALQQH-UTUOFQBUSA-N 211.349 2.831 0 50 BFAA endogenous,in-man CCC(=O)c1ccc(OCCn2ccnc2)cc1 4810569 QPXMKKZJWSTETK-UHFFFAOYSA-N 244.294 2.555 0 50 BFAA OC[C@H](Oc1ccccc1)c1ccccc1 4824071 NXTGLBMUSIXDDI-AWEZNQCLSA-N 214.264 2.799 0 50 BFAA CCCNC(=O)NC1CCC(CC)CC1 6742312 KALICOZVPXACQP-UHFFFAOYSA-N 212.337 2.664 0 50 BFAA C[C@H](NC(=O)Cc1ccccc1F)C(C)(C)C 12381102 NFHLGJBDPKSWKG-JTQLQIEISA-N 237.318 2.919 0 50 BFAA Cc1c(N)ccc(Br)c1C 12471912 YOBPAGXZBSWOHP-UHFFFAOYSA-N 200.079 2.648 0 50 BFAA in-vitro Clc1cncc(NC2CCCCC2)n1 15021351 OSOXULWILQPIFK-UHFFFAOYSA-N 211.696 2.875 0 50 BFAA in-vitro c1ccc2ncc(CC3CCNCC3)cc2c1 34424942 OATCEHWCYFWXNS-UHFFFAOYSA-N 226.323 2.777 0 50 BFAA in-vitro CCCOC(=O)c1ccc(O)c(Cl)c1 35101686 BSIHCYCJEOIHQZ-UHFFFAOYSA-N 214.648 2.612 0 50 BFAA COc1cccc(-c2cc(O)cc(C(=O)O)c2)c1 65349963 BSODLKVIIUWBAJ-UHFFFAOYSA-N 244.246 2.766 0 50 BFAA in-vitro Cc1cnc(NC(=O)OC(C)(C)C)s1 75300740 XIIPQPUEUHENHU-UHFFFAOYSA-N 214.290 2.799 0 50 BFAA CC(C)(C)Cc1nnc(NCc2ccco2)o1 170592187 XITLMXYIHLQXFT-UHFFFAOYSA-N 235.287 2.863 0 50 BFAA CC[C@H](N[C@H](C)c1nccn1C)c1ccncc1 183017788 MZEPRXJIEHYMPN-YPMHNXCESA-N 244.342 2.617 0 50 BFAA NC1(c2c(F)cccc2Br)CC1 221826806 AUFJVUSWTMJFBG-UHFFFAOYSA-N 230.080 2.536 0 50 BFAA C[C@@H]1[C@@H](NC(=O)c2cccnc2)CCC[C@H]1C 245253953 UYTYXXIMPJCQLO-MDZLAQPJSA-N 232.327 2.636 0 50 BFAA O=C1NC2(CCCCC2)NN1c1ccc(F)cc1 334160345 BMITWAGYQHFKDI-UHFFFAOYSA-N 249.289 2.520 0 50 BFAA Cc1cnc([C@@H](C)NC(=O)CCC(C)(C)C)[nH]1 426526050 JSCDNTHSORXRHT-SNVBAGLBSA-N 237.347 2.722 0 50 BFAA c1cncc(Nc2nc3c(s2)CCC3)c1 1173853722 KGEKPHMKEFGTMR-UHFFFAOYSA-N 217.297 2.770 0 50 BFAA C=CC(=O)N1c2ccccc2C(C)(C)[C@H]1C 1262555936 OMTSKBFFQPICMR-SNVBAGLBSA-N 215.296 2.885 0 50 BFAA CCc1cnoc1C(=O)NCC1(CC)CCC1 1875274923 XQKRTVLQPQDWCZ-UHFFFAOYSA-N 236.315 2.547 0 50 BFAA C[C@@H]1CCN(c2ccc3cc(O)ccc3n2)C1 2325802428 GWBYMEYRIYNVDE-SNVBAGLBSA-N 228.295 2.787 0 50 BFAA Cc1cc(C)cc(NC(=O)c2ccncc2)c1 119452 XTABRQYWLYWIDI-UHFFFAOYSA-N 226.279 2.951 0 50 BFAA C[C@H]1S[C@@H](c2cccc(Cl)c2)NC1=O 208330 DSDPWHIBVHAATJ-LDWIPMOCSA-N 227.716 2.590 0 50 BFAA Cc1nn(Cc2ccccc2)c2ncccc12 270764 GLYFDIZBHQMLAU-UHFFFAOYSA-N 223.279 2.788 0 50 BFAA CCNC(=O)[C@@H](C)Sc1ccc(Cl)cc1 281518 ZCCYGQFGOGPHOD-MRVPVSSYSA-N 243.759 2.957 0 50 BFAA Cc1ccc(C(=O)Nc2nc(C)c(C)s2)o1 375743 FQNYBXCUFJFJMI-UHFFFAOYSA-N 236.296 2.914 0 50 BFAA COC(=O)[C@H](C)CSCc1ccccc1 396240 VIAAAKCYRCELPR-SNVBAGLBSA-N 224.325 2.729 0 50 BFAA CC(C)(C)NC(=O)Cc1ccc(Cl)cc1 3093857 MVWNJFAJKMCOOL-UHFFFAOYSA-N 225.719 2.797 0 50 BFAA O=CC(=O)c1cccc(OCc2ccccc2)c1 4204415 LJAKFMSOCUUCEE-UHFFFAOYSA-N 240.258 2.647 0 50 BFAA C=CS(=O)(=O)[C@H](CC)CCCCC 5503050 XEUWJNJWOCSSAW-SNVBAGLBSA-N 204.335 2.904 0 50 BFAA COc1cccc(CSc2ncccn2)c1 6485023 AILGHDJQWDYIIP-UHFFFAOYSA-N 232.308 2.778 0 50 BFAA NC(=O)c1cc2c(s1)CCCCCC2 16602217 BEGCBXHNCXQIFA-UHFFFAOYSA-N 209.314 2.506 0 50 BFAA CCc1cc(O)ccc1Br 34426898 CAMRWHABCOLYHJ-UHFFFAOYSA-N 201.063 2.717 0 50 BFAA in-vitro O=C(N[C@H]1C[C@H]2CC[C@H]1C2)c1cccc(F)c1 225268613 ZWRYVQGTGWLIQN-KWBADKCTSA-N 233.286 2.744 0 50 BFAA c1coc(-c2nnn(CC3CCCCCC3)n2)c1 241775971 RQTXTSIMSIRLQB-UHFFFAOYSA-N 246.314 2.904 0 50 BFAA O=C(O)c1ccc(Cl)c2ccncc12 253534114 ZFKAPYJGHMFFMO-UHFFFAOYSA-N 207.616 2.586 0 50 BFAA Fc1c(OC(F)F)ccnc1Br 263623147 FCTXNPLGAJCTPH-UHFFFAOYSA-N 241.994 2.585 0 50 BFAA C=CC(=O)N1CC(C)(C)[C@@H]1c1cccs1 328597256 GGVHJGFFNLBQQE-NSHDSACASA-N 221.325 2.844 0 50 BFAA CCOc1cccc(C(=O)N[C@@H]2C=CCC2)c1 855423770 GZWGDTFJKPGIQN-GFCCVEGCSA-N 231.295 2.534 0 50 BFAA CCCC(=O)N[C@H](C)c1nc2ccccc2[nH]1 200909 PFTUDPMBUUOMGI-SECBINFHSA-N 231.299 2.540 0 50 BFAA CC[n+]1c(C)sc2ccc(OC)cc21 294951 OFBUPMOLIKRWCN-UHFFFAOYSA-N 208.306 2.526 0 50 BFAA CCC[C@H](C)NC(=O)Nc1ccccc1 409075 ZEQLEAVZSKTONP-JTQLQIEISA-N 206.289 2.997 0 50 BFAA O=C1CC=C(c2ccc(Br)cc2)O1 432637 YXZHMBVOSLIGNF-UHFFFAOYSA-N 239.068 2.737 0 50 BFAA C[C@H](CC(=O)N1CCCC1)c1ccccc1 1457004 WKIILLABOBDSEP-GFCCVEGCSA-N 217.312 2.803 0 50 BFAA CCCCNCCOc1ccccc1F 2931874 YFSSLTDISXZPSM-UHFFFAOYSA-N 211.280 2.594 0 50 BFAA COc1cccc([C@@H](O)c2cccc(F)c2)c1 4255926 FGEAOSYXTCGVGV-AWEZNQCLSA-N 232.254 2.916 0 50 BFAA Clc1cccc(CNCCCn2ccnc2)c1 35360434 UGRISRKTUDHSPH-UHFFFAOYSA-N 249.745 2.716 0 50 BFAA Nc1nccc2scc(Br)c12 38540282 NRVPVUKWJYSNTO-UHFFFAOYSA-N 229.102 2.641 0 50 BFAA in-vitro CC(C)(C)OC(=O)N1CC[C@H](C(F)(F)F)C1 40442764 RGMLHCFFVWGOJT-ZETCQYMHSA-N 239.237 2.806 0 50 BFAA CCCCOc1ccc(C(=O)OC)cc1OC 58050128 UOSGRNUALUSRJX-UHFFFAOYSA-N 238.283 2.661 0 50 BFAA CC(C)(C)C(=O)N1CCCc2cc(F)cnc21 66054219 IUBSHJRDDRRQFV-UHFFFAOYSA-N 236.290 2.546 0 50 BFAA in-vitro Brc1cccc(C2COC2)c1 66309153 IKNHAXGIHOUCCX-UHFFFAOYSA-N 213.074 2.563 0 50 BFAA in-vitro O=C(O)c1cc(Cc2ccccc2Cl)no1 82329921 VJVKNGKTRDTLCG-UHFFFAOYSA-N 237.642 2.617 0 50 BFAA O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 101574442 OMKJOVVKLPKENU-WCFLWFBJSA-N 215.296 2.605 0 50 BFAA COc1ccc(-c2noc(C(C)(C)OC)n2)cc1 170608359 IGHGVXCXQUYGCQ-UHFFFAOYSA-N 248.282 2.627 0 50 BFAA CC(C)c1nccc(N2C[C@@H]3[C@@H](C2)C3(C)C)n1 172773501 DBKKSWYJAFXUPG-GHMZBOCLSA-N 231.343 2.692 0 50 BFAA Fc1ccc(C[C@H]2CCNCC2(F)F)cc1 216401645 JXZCOOIFHRNTCT-SNVBAGLBSA-N 229.245 2.613 0 50 BFAA CC[C@H](C)N(C(=O)[C@H]1CCCO1)[C@H](C)CC 227186812 NUNUDSKUPNYYGR-GRYCIOLGSA-N 227.348 2.591 0 50 BFAA O=C(Nc1ccc(F)cc1)[C@H](F)C(F)(F)F 252507423 WKYPZOHQEMZMQF-ZETCQYMHSA-N 239.143 2.665 0 50 BFAA C[C@H](C[C@H]1CCOC1)NCc1ccccc1 307442701 AYWRSPGLDZQFJH-TZMCWYRMSA-N 219.328 2.591 0 50 BFAA COc1cccc(C(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)c1 408520018 LYILXOOJPACPPG-DDTOSNHZSA-N 245.322 2.614 0 50 BFAA OCc1ccccc1-c1n[nH]c(C2CCCC2)n1 426386257 DJRMIDRFXVMPFK-UHFFFAOYSA-N 243.310 2.622 0 50 BFAA Nc1ccc(F)c(-c2ccc(C(=O)O)s2)c1 725261248 ZCOGHWARHVAULE-UHFFFAOYSA-N 237.255 2.835 0 50 BFAA CC[C@]12C[C@@H]1CN(Cc1cc(C(C)(C)C)n[nH]1)C2 1775980350 ZBANGLYSHMGYOI-IAQYHMDHSA-N 247.386 2.939 0 50 BFAA CCC(CC)NC(=O)Cc1cccs1 31731 MOVVOKYRWZRWIS-UHFFFAOYSA-N 211.330 2.595 0 50 BFAA Cc1cc(CN2CCCCC2)cc(C)c1O 36218 FZAJUZSNGXVCTM-UHFFFAOYSA-N 219.328 2.995 0 50 BFAA in-vitro Cc1ccc(C2=[N+]([O-])C(C)(C)N(O)C2(C)C)cc1 201518 NATHZAUAVBEFNC-UHFFFAOYSA-N 248.326 2.514 0 50 BFAA CCc1ccc(CNC[C@@H]2CCCO2)cc1 299721 XBUDNMPAZHJEHW-AWEZNQCLSA-N 219.328 2.518 0 50 BFAA in-vitro Cc1cc(C(=O)O)ccc1-c1ccc(C=O)o1 450701 FDTLOWDUZAUBOK-UHFFFAOYSA-N 230.219 2.766 0 50 BFAA CCC(CC)C(=O)NCc1ccc(OC)cc1 453098 UVDONQOCCHHZTJ-UHFFFAOYSA-N 235.327 2.748 0 50 BFAA CCC(C)(C)NC(=O)Cc1cccs1 620393 IQECENZEQWRRST-UHFFFAOYSA-N 211.330 2.595 0 50 BFAA COCCNc1c2c(nc3ccccc13)CCC2 4040287 UQGURPVMSNBQFQ-UHFFFAOYSA-N 242.322 2.782 0 50 BFAA CC[C@H](Oc1cc(C)ccc1Cl)C(=O)O 6048915 IBEUMMWJCKGJFT-VIFPVBQESA-N 228.675 2.890 0 50 BFAA CCCCNC(=O)N1CCCC[C@@H]1CC 6699783 PTAJIXYWFQSSCR-NSHDSACASA-N 212.337 2.761 0 50 BFAA Cc1n[nH]c2c1C(=O)C[C@H](c1cccs1)C2 8740826 JWLUFIXLPXZMMJ-MRVPVSSYSA-N 232.308 2.692 0 50 BFAA COc1cc(Br)ccc1F 14628933 SEVMQEIGENUPIE-UHFFFAOYSA-N 205.026 2.597 0 50 BFAA in-vitro O=Cc1ccc2ccn(Cc3cccnc3)c2c1 20479396 WXIZNAYFQMKSAK-UHFFFAOYSA-N 236.274 2.897 0 50 BFAA CCCc1cc(C(=O)OCC)ccc1O 34420247 DJQVBFSUDDSEAB-UHFFFAOYSA-N 208.257 2.521 0 50 BFAA Cc1nn(C)c2cc(Br)ccc12 36533438 YBDYCDWCUXKYBT-UHFFFAOYSA-N 225.089 2.644 0 50 BFAA in-vitro COC(=O)CCc1cccc(Br)c1 38537487 DJJHVPBMUQLOCB-UHFFFAOYSA-N 243.100 2.555 0 50 BFAA in-vitro COc1cccc2nc(Cl)nc(Cl)c12 39206832 CVILQLUABMGXTG-UHFFFAOYSA-N 229.066 2.945 0 50 BFAA in-vitro COC(=O)c1cc2c(Cl)cncc2s1 66349003 RKEMSSHLFNIVCV-UHFFFAOYSA-N 227.672 2.736 0 50 BFAA in-vitro COCCCSCc1cnc(C)s1 195571490 IQMFBJCIYVQBBA-UHFFFAOYSA-N 217.359 2.721 0 50 BFAA Cc1cc(C)nc(NC[C@@H](C)c2nccs2)n1 230610305 SLYLNCOHAFUDNV-MRVPVSSYSA-N 248.355 2.766 0 50 BFAA COCCN1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 367540340 KTHQMXQXNYLSPU-ARFHVFGLSA-N 245.366 2.901 0 50 BFAA Cc1cc(-c2ccc(F)cc2Cl)c(O)nn1 426412842 YIVQFRZOGCBZJO-UHFFFAOYSA-N 238.649 2.950 0 50 BFAA S=C(NCc1ccccc1)Nc1ccccn1 80953 KDXKGWLTZXBZDC-UHFFFAOYSA-N 243.335 2.568 0 50 BFAA CCOC(=O)c1ccccc1-c1csc(N)n1 169915 CYDLESGWRDBHSX-UHFFFAOYSA-N 248.307 2.569 0 50 BFAA Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3N 190426 KQJNWDCSROVGQM-NSHDSACASA-N 200.285 2.812 0 50 BFAA C[C@@H]1CC[C@@H](NCc2ccc3c(c2)OCO3)C1 214022 XIPYONXASDNYLO-ZYHUDNBSSA-N 233.311 2.694 0 50 BFAA CCSc1nc2ccc(N)cc2s1 343703 TUMCWFMHZOUPDA-UHFFFAOYSA-N 210.327 2.991 0 50 BFAA Cc1cc(C(=O)O)c2ccc(Cl)cc2n1 875132 WOONUCDWZWZHGF-UHFFFAOYSA-N 221.643 2.895 0 50 BFAA in-vitro COc1ccc(C=O)cc1C(F)(F)F 2572881 UMZQFCFPWAFMRL-UHFFFAOYSA-N 204.147 2.527 0 50 BFAA in-vitro c1ccc2sc([C@H]3CCCNC3)nc2c1 2657414 PXPKASSSZWCUJE-VIFPVBQESA-N 218.325 2.763 0 50 BFAA in-vitro CCc1ccc(CN2CCSCC2)cc1 4990137 VYLGVEZYXHYPEX-UHFFFAOYSA-N 221.369 2.798 0 50 BFAA Cc1cccc(NC(=O)c2c(C)noc2C)c1 7914429 NYFPARGMHQRZBJ-UHFFFAOYSA-N 230.267 2.852 0 50 BFAA Cc1ccc([C@@]2(C(=O)O)CC2(C)C)cc1 19094014 SSLIEVKLCVTOOJ-CYBMUJFWSA-N 204.269 2.747 0 50 BFAA in-vitro O=C(O)c1cccc(Nc2ccncc2)c1 34131149 XZGYYDNYYBXBMG-UHFFFAOYSA-N 214.224 2.523 0 50 BFAA in-vitro Clc1ccnc(NCc2ccccc2)n1 59666625 VDDPUCZEHQSAHW-UHFFFAOYSA-N 219.675 2.742 0 50 BFAA C[C@@H](Cn1cnnc1)c1ccc(Cl)cc1 65374728 HIEBWNHAZQAVNO-VIFPVBQESA-N 221.691 2.735 0 50 BFAA O=C(COCc1ccccc1)CC(F)(F)F 95629894 YVRIEBHNJAOGCT-UHFFFAOYSA-N 232.201 2.725 0 50 BFAA COc1cccc2c1CC[C@@H](N(C)C(C)C)C2 96026994 RDMRBXOKHMGYQF-CYBMUJFWSA-N 233.355 2.893 0 50 BFAA Cc1occc1SCc1nccn1C 131546891 HANZJPFFIHWQQD-UHFFFAOYSA-N 208.286 2.614 0 50 BFAA O[C@H]1CSc2cccc(Br)c21 202437244 QFPXQCCCVFBJOT-LURJTMIESA-N 231.114 2.588 0 50 BFAA C[C@@H]1CN(CCCC(=O)O)[C@H]1c1ccccc1 299753676 YYGVVKJGQUULKB-BXUZGUMPSA-N 233.311 2.544 0 50 BFAA O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NC1CC=CC1 584907920 RLPGGYMOMYITGJ-SDDRHHMPSA-N 219.328 2.648 0 50 BFAA Cc1sccc1CC(=O)N[C@@H](C)C1(C)CC1 1120726569 DGHSUEVUBNPTHC-JTQLQIEISA-N 237.368 2.904 0 50 BFAA C=CC(=O)N1CCSC[C@@H]1c1cccs1 1616044722 LENMWVMILKGWDH-SECBINFHSA-N 239.365 2.551 0 50 BFAA Cc1ccc(-c2nccn2CCO)c(Cl)c1 1875244337 HIAUNIXQQHLRRQ-UHFFFAOYSA-N 236.702 2.504 0 50 BFAA C[C@]1(c2noc([C@H]3CCCO3)n2)C=CCCC1 1875275616 GGRUERZFEYDSOA-MFKMUULPSA-N 234.299 2.919 0 50 BFAA O=C1CCc2c(ccc(C3=CCCOC3)c2F)N1 1875291970 RMSZAGRHYJRKLE-UHFFFAOYSA-N 247.269 2.514 0 50 BFAA O=C(Nc1ccc(Br)cc1)C1CC1 70354 CYBVEZPTHHVBTO-UHFFFAOYSA-N 240.100 2.798 0 50 BFAA COc1c(Cl)cc(Cl)cc1C(=O)O 457799 AUVSCSCAPKFMEK-UHFFFAOYSA-N 221.039 2.700 0 50 BFAA in-vitro CC1=Nn2c(nnc2-c2ccc(C)cc2)SC1 532405 YVOUTIIUDVROPV-UHFFFAOYSA-N 244.323 2.583 0 50 BFAA C[C@@H](CC(=O)O)CC(=O)c1ccc(F)c(F)c1 4255374 LHFALPXBGLCWGZ-SSDOTTSWSA-N 242.221 2.648 0 50 BFAA C[C@H](C(=O)O)c1ccc(OC(F)(F)F)cc1 12954273 BEBMIASBVSVAQI-LURJTMIESA-N 234.173 2.773 0 50 BFAA Fc1ccc(CCNCc2ccco2)cc1 19720659 HTPONRFEWZKBCT-UHFFFAOYSA-N 219.259 2.751 0 50 BFAA Cc1nn(C(C)C)c2[nH]c(-c3cccnc3)nc12 20136906 UWUKSRDFQWUNAV-UHFFFAOYSA-N 241.298 2.711 0 50 BFAA CCN(CC)CP1(=O)OCC(C)(C)CO1 22016500 AMJULCVFOUJNSE-UHFFFAOYSA-N 235.264 2.552 0 50 BFAA Cc1noc(C)c1-c1ccc(F)c(C(=O)O)c1 32582159 AKWHVPULDUZYNZ-UHFFFAOYSA-N 235.214 2.796 0 50 BFAA OCc1cc(Cl)cc(Br)c1 35322940 XGBLROAPOAITNY-UHFFFAOYSA-N 221.481 2.595 0 50 BFAA in-vitro C[C@H]1CCC[C@@H](C)N1C[C@H]1CCCCCN1 39706246 DPQMTMQEYUBYSU-HZSPNIEDSA-N 224.392 2.782 0 50 BFAA CCOC(=O)C(=O)c1ccc(C)c2ccccc12 43209638 RTYLWBWBCMIRBY-UHFFFAOYSA-N 242.274 2.894 0 50 BFAA O=C(O)C1=C[C@H](Cc2ccccc2)CC1 43214802 JPESXFHTYQWFFC-NSHDSACASA-N 202.253 2.650 0 50 BFAA CCc1ccc(CC(=O)NCC(C)C)cc1 71375608 VQYAXYVUZSFNBD-UHFFFAOYSA-N 219.328 2.564 0 50 BFAA OCc1ccc2cc3cc(CO)ccc3cc2c1 144208817 ROEFUJJXSBJMDQ-UHFFFAOYSA-N 238.286 2.978 0 50 BFAA Clc1c(Br)ccc2c1NCCO2 200782786 OGTVWQTXPBZUTD-UHFFFAOYSA-N 248.507 2.907 0 50 BFAA CC(C)C[C@@H](COCc1ccccc1)C(=O)O 230082479 QLSBJDHEYAHBKC-ZDUSSCGKSA-N 236.311 2.950 0 50 BFAA C[C@@H]1C[C@H]1C(=O)N[C@H]1CCCc2ccccc21 249337118 QZVGYNJPPGFSHV-HONMWMINSA-N 229.323 2.836 0 50 BFAA CNc1ccccc1C(=O)N[C@@H]1CC=CC[C@H]1C 890769743 HXGXRQMTCMGUQM-DGCLKSJQSA-N 244.338 2.813 0 50 BFAA Clc1cc([C@@H]2CCCO2)c(Cl)nn1 1857780277 ZFEVYGDCNIPHIK-LURJTMIESA-N 219.071 2.635 0 50 BFAA CC(C)c1noc(N(C)CC2CC(F)(F)C2)n1 1875288017 KNYDQMKVXJSHMF-UHFFFAOYSA-N 245.273 2.675 0 50 BFAA CCOc1ccc(C=O)c(OCC)c1C 56867 NLDIABAZQRPFHD-UHFFFAOYSA-N 208.257 2.605 0 50 BFAA in-vitro CC(C)C[C@H](C)NC(=O)c1ccccc1 405215 VFMMJMOYGNCONK-NSHDSACASA-N 205.301 2.851 0 50 BFAA Cc1ccccc1[C@@H](NC(N)=O)c1ccccc1 436942 VLBUUPJRYPTPGB-AWEZNQCLSA-N 240.306 2.753 0 50 BFAA CCC(CC)C(=O)Nc1ccccc1C(=O)O 459799 WJIYLKCMZMWWBM-UHFFFAOYSA-N 235.283 2.760 0 50 BFAA CCc1ccc(NC(=O)CSC)cc1 615679 LCLPCPJWDZDHJI-UHFFFAOYSA-N 209.314 2.551 0 50 BFAA COC(=O)Nc1nc2c(C)cccc2s1 1055144 UXVQNUSTCPAWRV-UHFFFAOYSA-N 222.269 2.783 0 50 BFAA FC(F)(F)c1cccc(NC2CCNCC2)c1 4245565 YNGLUJKTMXSDOC-UHFFFAOYSA-N 244.260 2.869 0 50 BFAA COc1cccc(NC(=O)c2cccc(N)c2)c1 7468087 IPLDETZXHWUBFN-UHFFFAOYSA-N 242.278 2.530 0 50 BFAA CCCNC(=O)COc1ccccc1C(C)(C)C 8558834 IGNURRGLQGEKPI-UHFFFAOYSA-N 249.354 2.889 0 50 BFAA O=C(Nc1cccc2cccnc12)N1CCCC1 8844845 DBSPWWMDZUPDNU-UHFFFAOYSA-N 241.294 2.863 0 50 BFAA C[C@H](NC(=S)NC1CCCC1)c1ccncc1 13933163 SCXWVJIMZWQMHJ-JTQLQIEISA-N 249.383 2.549 0 50 BFAA Cc1ccc2c(c1)C=CC1(CCNCC1)O2 36141386 CJAFPMUVEPIIRH-UHFFFAOYSA-N 215.296 2.523 0 50 BFAA COc1cc(C(=O)O)c(Cl)cc1Cl 67802865 LUVPJGPYGBCUOI-UHFFFAOYSA-N 221.039 2.700 0 50 BFAA c1cc2[nH]c(-c3nc(C4CC4)n[nH]3)cc2s1 67935057 SJACTGPJNZGOFD-UHFFFAOYSA-N 230.296 2.892 0 50 BFAA O=Cc1nc(Cl)ccc1C(F)(F)F 82046727 YCRXWHRVPZXEMU-UHFFFAOYSA-N 209.554 2.566 0 50 BFAA Cc1cc2cc(Br)ccc2c(=O)[nH]1 98181463 FHJSEWHWEJNWAY-UHFFFAOYSA-N 238.084 2.599 0 50 BFAA C[C@H]1OCC[C@H]1Nc1ccc2c(c1)CCC2 134052911 BYZKJCJRXJLASJ-QMTHXVAHSA-N 217.312 2.765 0 50 BFAA CC(=O)Nc1cccnc1OCc1ccccc1 612690368 WHXMQTYLYHLODA-UHFFFAOYSA-N 242.278 2.619 0 50 BFAA CC(C)c1onc(-c2cccn2C)c1C(=O)O 675057823 QBDRWKMFKVXMFY-UHFFFAOYSA-N 234.255 2.502 0 50 BFAA O=C(c1cccc(F)c1F)N1CCCCC1 89443 PJIJKWKKKLUZQB-UHFFFAOYSA-N 225.238 2.591 0 50 BFAA Cc1ccc(OCCn2ccnc2)c(Cl)c1 227350 NFHQYILGZNOQSP-UHFFFAOYSA-N 236.702 2.924 0 50 BFAA CCc1n(C)c2cccc3cccc(c32)[n+]1C 328126 XOMSYCDCRFEWJS-UHFFFAOYSA-N 225.315 2.718 0 50 BFAA O=C(Nc1ccc(F)cc1)OCc1cccnc1 398594 BIUXOONTTYTLOU-UHFFFAOYSA-N 246.241 2.969 0 50 BFAA CC(C)CCC(CO)(CO)CCC(C)C 2509720 CRJRLBBFSRNKLY-UHFFFAOYSA-N 216.365 2.830 0 50 BFAA in-vitro CCC(C)(C)NC(=O)Nc1ccccc1 6727109 LUPNQNAPJJODGR-UHFFFAOYSA-N 206.289 2.997 0 50 BFAA CCCCN(C)[C@H]1CCC(=O)N(CCC)CC1 14991116 AJWMZGSSAMNRTC-ZDUSSCGKSA-N 240.391 2.509 0 50 BFAA c1ccc2c(c1)nc1nccc(-c3ccncc3)n12 15106141 NWOGCJAHMDWNHU-UHFFFAOYSA-N 246.273 2.945 0 50 BFAA CCOC(=O)c1ccc(F)cc1Cl 16159434 MJYAXUKZBQZTTQ-UHFFFAOYSA-N 202.612 2.656 0 50 BFAA in-vitro COc1ccc(CCCNC(=O)C(C)(C)C)cc1 36113230 VYIOEOSFZMZXDA-UHFFFAOYSA-N 249.354 2.790 0 50 BFAA Cc1ccccc1-c1cccc(C(=O)O)n1 39927827 XWXIZKKZMJFOMM-UHFFFAOYSA-N 213.236 2.755 0 50 BFAA in-vitro O=C(CCF)c1ccccc1Br 49588145 AOCAVTZTHWBYOI-UHFFFAOYSA-N 231.064 2.991 0 50 BFAA CCC(=O)Nc1ccccc1C(=O)N[C@H](C)CC 51528872 KFCPKRDUZBQTPT-SNVBAGLBSA-N 248.326 2.563 0 50 BFAA COc1ccc(C(=O)C(C)(C)NC(C)C)cc1 96027075 AHLVEEBAPVCLEK-UHFFFAOYSA-N 235.327 2.655 0 50 BFAA CC(=O)c1c(Cl)nc(Cl)nc1Cl 139877410 WSYWQFNIYCGPFK-UHFFFAOYSA-N 225.462 2.639 0 50 BFAA Nc1ccc(Cl)cc1-c1nc(C2CCC2)n[nH]1 170614826 IBIAWDICSMESKT-UHFFFAOYSA-N 248.717 2.975 0 50 BFAA CC(C)(C)OC(=O)N1CC2(CC=CC2)C1 238176238 FCJJOVIWSSZKBW-UHFFFAOYSA-N 209.289 2.574 0 50 BFAA in-vitro C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@H]2C)CC(C)(C)C1 239308976 HCNCEEAFXADKPJ-WYUUTHIRSA-N 223.360 2.973 0 50 BFAA Cn1cc(Nc2nc(C(F)(F)F)cs2)cn1 268439306 GSWWUXXJAQDEPI-UHFFFAOYSA-N 248.233 2.639 0 50 BFAA Cc1ccoc1C(=O)Nc1ccc(C(=O)O)cc1 261946 ZSWWCBKLACAGSL-UHFFFAOYSA-N 245.234 2.539 0 50 BFAA Cc1cc(C(=O)CCC(=O)O)c(C)c(C)c1C 394863 FETHMOCFGLPGGZ-UHFFFAOYSA-N 234.295 2.968 0 50 BFAA CC(C)C(=O)Nc1ccc(N)cc1Cl 569981 LOVISBVJDBTJEM-UHFFFAOYSA-N 212.680 2.517 0 50 BFAA O=C1CSC(=O)N1c1cccc(Cl)c1 970666 ZUKHMYVMHSQCEL-UHFFFAOYSA-N 227.672 2.540 0 50 BFAA COC(=O)c1cnc(Cl)c2ccccc12 3041690 YTJDBMFLRYQTPT-UHFFFAOYSA-N 221.643 2.675 0 50 BFAA Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3C(=O)O 3683849 ZHHYZWVFPWNKJL-JTQLQIEISA-N 229.279 2.981 0 50 BFAA Clc1cccc([C@@H]2CSCCN2)c1 4253669 VWWOSKABRMUGCB-JTQLQIEISA-N 213.733 2.718 0 50 BFAA in-vitro COc1ccc(/C=C(\C)CC(=O)O)cc1OC 4529023 LAPBHTUQBIAUPL-RMKNXTFCSA-N 236.267 2.582 0 50 BFAA CC1(C)Cc2ccccc2-c2n[nH]c(=S)n21 6559111 ZMLCRHOHOXICIB-UHFFFAOYSA-N 231.324 2.899 0 50 BFAA Cc1ccccc1COc1ccc(C(N)=O)cc1 6728951 GRJRFESMCXPPFZ-UHFFFAOYSA-N 241.290 2.673 0 50 BFAA Cc1nc(NC2CCCC2)sc1C(=O)O 8024709 CXFBKDIZGGDBRD-UHFFFAOYSA-N 226.301 2.504 0 50 BFAA Nc1cc(-c2cccc(Br)c2)no1 8729811 QDLXPXDDINSMEW-UHFFFAOYSA-N 239.072 2.686 0 50 BFAA in-vitro O=C(O)c1c(C(F)(F)F)cnc2ccccc12 16159915 WBOBVHAOJMZKLF-UHFFFAOYSA-N 241.168 2.952 0 50 BFAA Clc1c(Br)ccc2[nH]ncc12 40448812 GMGRNRQBEWCLKJ-UHFFFAOYSA-N 231.480 2.979 0 50 BFAA in-vitro Cc1cc(Br)c2c(c1)C(=O)CC2 98178970 GEKKSKKTHXHXLU-UHFFFAOYSA-N 225.085 2.886 0 50 BFAA OCc1c(Cl)cccc1OC(F)(F)F 113564599 QITKDFUMVLOUAX-UHFFFAOYSA-N 226.581 2.731 0 50 BFAA CC(=O)c1ccc(OCC(F)F)c(F)c1 123410021 OGFBFNFFCDYFIN-UHFFFAOYSA-N 218.174 2.672 0 50 BFAA Cc1oncc1CN1CCC[C@H]1C1CCC1 128494816 IOKZVRPBZBTRJR-ZDUSSCGKSA-N 220.316 2.748 0 50 BFAA CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(O)cc1 213111245 UHGRVKQMNJTTRU-NWDGAFQWSA-N 249.310 2.773 0 50 BFAA in-vitro C[C@H]1CCC[C@@H](NC(=O)[C@H]2C[C@H]2C)[C@H]1C 248512904 CJMCXIVDFYLRQW-KZZRWZIVSA-N 209.333 2.583 0 50 BFAA Cc1cc(-c2nc([C@H]3C[C@H]4CC[C@H]3C4)no2)n[nH]1 273710861 IAQZAOYEQJWGPN-GUBZILKMSA-N 244.298 2.672 0 50 BFAA O=C(O)[C@H]1C[C@@H]1c1csc(Br)c1 306718749 WPMXSYQGUFJOPQ-RITPCOANSA-N 247.113 2.699 0 50 BFAA O=[N+]1C(c2ccccc2)=CN(O)[C@H]2CCCC[C@H]21 334157233 YTLJVIPSWQNKCW-QWHCGFSZSA-N 245.302 2.780 0 50 BFAA CC(=O)c1ccc(-c2cnc(C)c(C)n2)cc1 426361378 TWLLWGJLMCIIPY-UHFFFAOYSA-N 226.279 2.963 0 50 BFAA C=CC(=O)N1CC[C@@H](c2ccccc2)[C@@H]1C 1120460957 UJSMRYWKYLFTET-WCQYABFASA-N 215.296 2.577 0 50 BFAA O=c1cc(N2CCCCC2)c2ccccc2o1 53303 AZAXRUNIGYYEKS-UHFFFAOYSA-N 229.279 2.783 0 50 BFAA in-vivo Cc1cc(-c2ncccc2O)cc(C)c1O 186233 ZDAYEXUWLVRVHO-UHFFFAOYSA-N 215.252 2.777 0 50 BFAA OCCN(Cc1ccccc1)C[C@@H]1CC=CCC1 218960 HHDWJOMSNUIHJG-MRXNPFEDSA-N 245.366 2.837 0 50 BFAA Cc1cc(Cl)ccc1NC(=O)N(C)C 395213 ZBRVGSVMRNBIQO-UHFFFAOYSA-N 212.680 2.742 0 50 BFAA O=C(NO)Nc1ccc(Cl)cc1Cl 396718 DJPGEWSKXZZHCC-UHFFFAOYSA-N 221.043 2.504 0 50 BFAA Cc1ccc(Br)c2c1C(=O)CC2 407034 NEKRLSMUSWQION-UHFFFAOYSA-N 225.085 2.886 0 50 BFAA in-vitro CCOC(=O)NCCc1cccc(Cl)c1 475960 XNJBASYINQWSOV-UHFFFAOYSA-N 227.691 2.629 0 50 BFAA CCOC(=O)[C@@H](Cc1ccccc1)c1ccno1 1406279 GOFCYRWPLKXVMI-LBPRGKRZSA-N 245.278 2.564 0 50 BFAA O=C(OCCCN1CCCCC1)c1ccccc1 1646353 XLJWNWIRMPJXHZ-UHFFFAOYSA-N 247.338 2.719 0 50 BFAA C=Cc1ccc(COC(=O)C(F)(F)F)cc1 2572045 XIUWQGVPNPHEOI-UHFFFAOYSA-N 230.185 2.935 0 50 BFAA in-vitro COc1ccc(C(C)=O)c(C(F)(F)F)c1 2572878 RSUCOEPTFURXML-UHFFFAOYSA-N 218.174 2.917 0 50 BFAA in-vitro CCCCC[C@H](C)NC(=O)c1ccco1 4006962 ANMUBJVQMXAPSJ-JTQLQIEISA-N 209.289 2.978 0 50 BFAA O=C1[C@@H]2Cc3ccccc3[C@H]2C1(Cl)Cl 4277426 KAGZBEUEDMPZCQ-RKDXNWHRSA-N 227.090 2.699 0 50 BFAA CC(=O)c1sc(Nc2ccccn2)nc1C 6389850 HYVIYVTYOOLRJD-UHFFFAOYSA-N 233.296 2.793 0 50 BFAA Cc1cc(C)nc(NC(=O)c2ccc(C)o2)c1 13200200 ZSPDSRNJFTXFNK-UHFFFAOYSA-N 230.267 2.852 0 50 BFAA CCOC(=O)/C=C(/C)Nc1ccc(OCC)cc1 13285385 OVTYDRMQDLJXOK-KHPPLWFESA-N 249.310 2.964 0 50 BFAA C1CO[C@@H](CNC2C3CC4CC(C3)CC2C4)C1 23282604 DCEQXZBSAGKNTI-DUTNFGBUSA-N 235.371 2.580 0 50 BFAA O=C(O)c1cccc(-c2ccccc2F)n1 35630166 QQGRLKMTVDWDHN-UHFFFAOYSA-N 217.199 2.586 0 50 BFAA O=C1CC23CCC=CCCC2(C1)CC(=O)C3 44082494 MDWDWJVMUJQULA-UHFFFAOYSA-N 218.296 2.815 0 50 BFAA CSc1nccc(NCc2ccccc2)n1 71261622 XKXIAFTYXCCCQG-UHFFFAOYSA-N 231.324 2.811 0 50 BFAA CCn1cc(OCCc2ccc(OC)cc2)cn1 184752025 ZDDGDQDEPUAGGC-UHFFFAOYSA-N 246.310 2.533 0 50 BFAA Brc1ccc2c(c1)OC1(CC1)CN2 259158548 IJXYSJNLEFSFRD-UHFFFAOYSA-N 240.100 2.786 0 50 BFAA C[C@H]1C[C@@H](C(=O)O)CN(CCC2CCCC2)C1 263344239 OEESEFVVLGMYCO-WCQYABFASA-N 239.359 2.609 0 50 BFAA CCCOc1cccc(-c2nc(C)n(C)n2)c1 426550680 UGJLHTSQKDMIJU-UHFFFAOYSA-N 231.299 2.579 0 50 BFAA c1ccc2c(N[C@@H]3[C@H]4CCC[C@H]43)ncnc2c1 582641409 ILNGLGFFXOKZLZ-IWIIMEHWSA-N 225.295 2.840 0 50 BFAA Cc1cc(CN[C@H](C)CN(C)C(C)C)cnc1C 1506421746 MLNMQDMKXJFZKY-CYBMUJFWSA-N 249.402 2.517 0 50 BFAA C=CC(=O)NC[C@@H](C)c1cccc2cccnc12 1775997276 DJKUXVRZWYBEJJ-LLVKDONJSA-N 240.306 2.641 0 50 BFAA Cc1nc2cc(-c3cncc(N)n3)ccc2s1 1875247989 SIZQZNOKHNKEDU-UHFFFAOYSA-N 242.307 2.644 0 50 BFAA C=CC(=O)N1CCC2(C=Cc3ccccc32)CC1 2069391472 DMGHSLRMISYXMG-UHFFFAOYSA-N 239.318 2.760 0 50 BFAA CCOc1ccc(C(=O)N[C@@H](C)CC)cc1 124995 LPVBWNAKEBOUAL-JTQLQIEISA-N 221.300 2.614 0 50 BFAA CN1CCC(N(C)C/C=C/c2ccccc2)CC1 183260 UWYZGXVJEBEZOA-RMKNXTFCSA-N 244.382 2.726 0 50 BFAA Cc1ccc(NC(=O)NC2CCCCC2)nc1 295280 INKZGCDTLOFHSZ-UHFFFAOYSA-N 233.315 2.844 0 50 BFAA C[C@H](NC(=O)c1ccco1)c1ccccc1 299309 IAADLDQTAJKRLP-JTQLQIEISA-N 215.252 2.771 0 50 BFAA Cc1ccc(I)s1 403123 NAZNQEXKAPLVKC-UHFFFAOYSA-N 224.066 2.661 0 50 BFAA in-vitro O=C(O)Cc1ccc(C(=O)c2ccccc2)s1 409431 SYHLHAMHNNESGP-UHFFFAOYSA-N 246.287 2.606 0 50 BFAA CCN(CC)C(=O)[C@H](C)c1ccccc1 409776 WYYLJNMMIABVJR-LLVKDONJSA-N 205.301 2.659 0 50 BFAA CC(=O)[C@H](C)Oc1ccccc1-n1cccc1 1397897 AMXKWFOFMGEWAA-LBPRGKRZSA-N 229.279 2.834 0 50 BFAA CC(C)(c1ccc(C=O)o1)c1ccc(C=O)o1 2519614 WAGODXSZJGIWEV-UHFFFAOYSA-N 232.235 2.824 0 50 BFAA COc1cc2ccc(=O)oc2c2ccoc12 3197732 DLCJNIBLOSKIQW-UHFFFAOYSA-N 216.192 2.548 0 50 BFAA biogenic,in-vitro COC(=O)c1cccc(-c2ccccc2)n1 8700057 SCLJKMDPGCDUNH-UHFFFAOYSA-N 213.236 2.535 0 50 BFAA Cc1ccc2nc(C)c(CCC(=O)O)c(O)c2c1 8733422 OXEYVHJLRAYPRX-UHFFFAOYSA-N 245.278 2.574 0 50 BFAA biogenic O=C(Nc1c[nH]c2ccccc12)c1cccnc1 19745913 HWGVPBKUFJJJDU-UHFFFAOYSA-N 237.262 2.815 0 50 BFAA O=c1nc(-c2ccccn2)sc2ccccc12 33979142 GBAKVEWPYUIGHN-UHFFFAOYSA-N 240.287 2.719 0 50 BFAA in-vitro CC(C)C(=O)N[C@@H](C)c1ccc(F)cc1 49930138 OYLHTMSRAMBCGA-VIFPVBQESA-N 209.264 2.659 0 50 BFAA c1ccc([C@H]2CCCN2Cc2cscn2)nc1 72170436 SUKCDYLHSPUPDR-CYBMUJFWSA-N 245.351 2.875 0 50 BFAA Cc1ccc(Br)c(O)c1F 85345165 JUYXSZKVQBFLEX-UHFFFAOYSA-N 205.026 2.602 0 50 BFAA in-vitro CC(C)(C)CNCc1ccc(C2OCCO2)cc1 123119359 QWTHDQHHHXWELG-UHFFFAOYSA-N 249.354 2.868 0 50 BFAA CN(C)C(=O)c1ccc(F)c2ccccc12 204286947 ISUFEBJJJLLLJA-UHFFFAOYSA-N 217.243 2.681 0 50 BFAA COC(=O)c1cc(F)c(Cl)c(Cl)c1 261226747 XLMIEDDMDAKHMB-UHFFFAOYSA-N 223.030 2.919 0 50 BFAA Fc1cccc(Cl)c1C1[N@@]2CCCC[N@]12 1857524882 IHRWHEYFRNMAMJ-HUUCEWRRSA-N 226.682 2.804 0 50 BFAA O=C1C=CC(=O)N1c1ccc(-c2ccccc2)cc1 186459 RXWKCYQPTDVVSI-UHFFFAOYSA-N 249.269 2.783 0 50 BFAA biogenic,in-vivo C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccccc1N 309803 ZNDUKWZNBHOKHB-GHMZBOCLSA-N 232.327 2.672 0 50 BFAA in-vitro Sc1nnc(-c2ccc(Cl)cc2)o1 381037 MUFWSGAENICYQA-UHFFFAOYSA-N 212.661 2.679 0 50 BFAA in-vitro Cc1ccnc(NC(=O)c2ccoc2C)c1 475310 URQXYGAHTIMHHT-UHFFFAOYSA-N 216.240 2.544 0 50 BFAA CCCCc1nc2cc(C(=O)O)ccc2o1 3883325 DMLAEJJVBPVLOK-UHFFFAOYSA-N 219.240 2.869 0 50 BFAA C/C(=C\c1ccccc1)C(=O)NCc1ccco1 4690805 LOBLDOKNLBEWHI-ZRDIBKRKSA-N 241.290 2.999 0 50 BFAA CCCCNc1cc(C)nc(CCC)n1 6701920 UDQOGRHSEKZWQE-UHFFFAOYSA-N 207.321 2.950 0 50 BFAA COC(=O)c1nc(Cl)sc1C(C)C 15021568 SEDCUPKYEPBQEQ-UHFFFAOYSA-N 219.693 2.707 0 50 BFAA in-vitro Cc1nnc(-c2cccc(Br)c2)o1 16124164 KFORTEWAPHTQIB-UHFFFAOYSA-N 239.072 2.808 0 50 BFAA in-vitro CC[C@H](C)c1cc(N)n(-c2ccccc2)n1 34976192 BZDBAAGWKNWPCA-JTQLQIEISA-N 215.300 2.968 0 50 BFAA Cc1nc([C@@H](C)NC2CCOCC2)c(C)s1 36308519 XLGYHSKAQRSBEY-MRVPVSSYSA-N 240.372 2.590 0 50 BFAA O=C(O)c1cccc(Oc2ccccc2)n1 39423804 OHIOMWFFIKFFDX-UHFFFAOYSA-N 215.208 2.572 0 50 BFAA in-vitro CC(C)c1nnc(S)n1[C@H]1C[C@H]2C=C[C@H]1C2 100241754 ZZHGUJIHNDIKSD-GUBZILKMSA-N 235.356 2.827 0 50 BFAA Cc1cc(C=O)cc(Br)c1C 144401569 QUILFTQEIPJCIX-UHFFFAOYSA-N 213.074 2.878 0 50 BFAA CCCc1noc([C@H](C)N2CCC[C@@H](C)C2)n1 229120045 FQARJKDRGABXFF-MNOVXSKESA-N 237.347 2.815 0 50 BFAA O=Cc1cc2c(cc1Br)CCC2 237994926 YSSCMOQZKKKXML-UHFFFAOYSA-N 225.085 2.750 0 50 BFAA in-vitro COc1ccc2c(c1)[C@@H]1C[C@]3(C(C)(C)O)[C@H]2[C@H]13 257358541 VBECXUHMOPAFQE-XFMPKHEZSA-N 230.307 2.667 0 50 BFAA Cc1cncc(-c2noc(C(C)(C)F)n2)c1 273753491 RSMLNADVXOWKIT-UHFFFAOYSA-N 221.235 2.645 0 50 BFAA CCCC[C@@]1(C)NC(=O)N(c2ccccc2C)N1 334160685 JVMOXIVUWQUSGA-AWEZNQCLSA-N 247.342 2.936 0 50 BFAA COCC[C@@H]1CCCN(CCSC(C)C)C1 824384156 RPRHZPQZHQFWEX-ZDUSSCGKSA-N 245.432 2.877 0 50 BFAA CN(CCn1ccnc1Cl)Cc1ccccc1 1775993374 ZELRKKFWBXEZSE-UHFFFAOYSA-N 249.745 2.669 0 50 BFAA Cc1ccc(NC(=O)N2CC(C3CCC3)C2)cn1 1875255586 BUPUQBNQRACJBR-UHFFFAOYSA-N 245.326 2.654 0 50 BFAA CC[C@@H](C)C(=O)Nc1cc(Cl)nnc1Cl 1875360860 KULODARIULZSRG-RXMQYKEDSA-N 248.113 2.768 0 50 BFAA C=CC(=O)NC[C@@H](F)c1ccc(C)c(C)c1 1875368807 RHDMFXQJUXSVNN-GFCCVEGCSA-N 221.275 2.616 0 50 BFAA CCCc1ccc(C(=O)CCC(=O)O)cc1 132844 ARAPWKABKMIXFP-UHFFFAOYSA-N 220.268 2.687 0 50 BFAA in-vitro O=C(O)c1cc(Cl)ccc1Br 156513 RBCPJQQJBAQSOU-UHFFFAOYSA-N 235.464 2.801 0 50 BFAA in-vitro CCOc1ccc(CN2CCSCC2)cc1 241179 UHMXYZFQJSPLTM-UHFFFAOYSA-N 237.368 2.634 0 50 BFAA CC(C)C(NC(=O)c1ccco1)C(C)C 382633 GHOANAWZMXOPEY-UHFFFAOYSA-N 209.289 2.690 0 50 BFAA CCOC(=O)C(=O)c1ccc(Cl)c(Cl)c1 2387802 NWUGRKGSCYOUFF-UHFFFAOYSA-N 247.077 2.739 0 50 BFAA CC(C)(C)c1ccc(-c2c[nH]nc2N)cc1 4810228 SELQUBRQCXVHRE-UHFFFAOYSA-N 215.300 2.956 0 50 BFAA CCOC(=O)[C@H]1CCc2[nH]c3ccccc3c2C1 4982811 VRBGKURGKHUBLB-JTQLQIEISA-N 243.306 2.836 0 50 BFAA C[C@H](NC(=O)C1CCCCC1)c1ccncc1 6715517 CFEDGJNLPIPWAQ-NSHDSACASA-N 232.327 2.839 0 50 BFAA Cc1ccc(-c2noc([C@H]3CCCCN3)n2)cc1 20545465 FLDHDLZFWHEFMY-GFCCVEGCSA-N 243.310 2.860 0 50 BFAA C/C(=C\c1ccccc1)CN1CCC[C@@H](CO)C1 23281122 YRGLTWKRVIAZKB-HFQYIWAZSA-N 245.366 2.794 0 50 BFAA O=C(O)c1cnc2ccc(C(F)(F)F)cc2c1 26507351 VXSPVHGBXKWWCX-UHFFFAOYSA-N 241.168 2.952 0 50 BFAA CCCCNC(=O)[C@H](C)Oc1ccc(F)cc1 44817870 PMFHLQCLILRIOO-JTQLQIEISA-N 239.290 2.509 0 50 BFAA Clc1ccc([C@@H]2NCCn3cccc32)cc1 53993676 ZTJBTXDWTBNNPZ-ZDUSSCGKSA-N 232.714 2.834 0 50 BFAA in-vitro Cc1ccsc1CNCc1ccccn1 54958176 OHMXZQHFVOIBPX-UHFFFAOYSA-N 218.325 2.741 0 50 BFAA CCCCN(C)C[C@H]1COc2ccccc2C1=O 96027107 NTIKCIBHRSYZBE-LBPRGKRZSA-N 247.338 2.610 0 50 BFAA CC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 96877554 ZYNLWRZPRVEDFH-LLVKDONJSA-N 241.331 2.613 0 50 BFAA COC(=O)c1ccc(Cl)c(OC(C)C)c1 97756817 NFQANNGLUNRISA-UHFFFAOYSA-N 228.675 2.914 0 50 BFAA CN(C)CC[C@H]1CCC[C@H]2CCCC[C@H]1N2C 101036078 XRCBEMFZCKZRLZ-RBSFLKMASA-N 238.419 2.981 0 50 BFAA CCOC(=O)c1cc(C(F)(F)F)sc1N 148540468 STAWMSHJYZKYJB-UHFFFAOYSA-N 239.218 2.526 0 50 BFAA in-vitro CC(C)Cn1cc(CNc2ccncc2F)cn1 170612162 PAEYDYOFLVOSBV-UHFFFAOYSA-N 248.305 2.685 0 50 BFAA COc1ccc(C(C)=O)cc1[C@@H](O)CC(C)C 216140686 LKMLLBCTPPDIRT-ZDUSSCGKSA-N 236.311 2.977 0 50 BFAA biogenic Nc1c(F)ccc(Cl)c1Br 236337510 ZLKOKBHTDCXTHF-UHFFFAOYSA-N 224.460 2.824 0 50 BFAA Cc1ccc(CNC(=O)[C@@H](F)C(F)(F)F)cc1 252506350 VZXXMDUBKPVTFU-SECBINFHSA-N 249.207 2.512 0 50 BFAA Cc1cc(NC(=O)N[C@H]2CCC2(C)C)ccn1 287244504 WXJOPMPKYWQHCO-NSHDSACASA-N 233.315 2.700 0 50 BFAA CC[C@]12C[C@@H]3C[C@H](C1)C[C@@](OCCO)(C3)C2 384331827 UREAHLMKOYWUSL-YXSUXZIUSA-N 224.344 2.744 0 50 BFAA CC[C@H](C)n1nc(C)cc1NC(=O)c1cc[nH]c1 1506424457 COORBPYMDRTSOE-JTQLQIEISA-N 246.314 2.743 0 50 BFAA O=C1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1 1772716223 ZXHOVZVDSOHECA-KGLIPLIRSA-N 229.323 2.773 0 50 BFAA O=C(O)c1ccccc1-c1nccn1C1CCC1 1875246526 QITHWTADUQVWRB-UHFFFAOYSA-N 242.278 2.973 0 50 BFAA CC(C)Sc1nc2ccccc2n1CCO 122684 QSYBKEBLDOGLIV-UHFFFAOYSA-N 236.340 2.529 0 50 BFAA C[C@H](Cc1ccccc1F)NC[C@H]1CCCO1 214715 DUEQJUKVKXYDGZ-DGCLKSJQSA-N 237.318 2.525 0 50 BFAA COC(=O)c1cc(C)ccc1Br 2516932 PYRAZCQFEMNXJA-UHFFFAOYSA-N 229.073 2.544 0 50 BFAA in-vitro O=Cc1ccc(OC(F)(F)C(F)F)cc1 2579176 ZTBIQWAGWYPSHC-UHFFFAOYSA-N 222.137 2.736 0 50 BFAA CC(=O)Nc1cccc(NC(=O)C2CCCC2)c1 6363478 NPHXFVPCMUDBBQ-UHFFFAOYSA-N 246.310 2.774 0 50 BFAA CCNCCOc1ccc(Cl)cc1C 6701328 RYJAXFCYQJHOPZ-UHFFFAOYSA-N 213.708 2.637 0 50 BFAA Cc1cccc(NC(=O)Cc2ccccc2C)n1 6715609 SFNFWTOFKNHAMR-UHFFFAOYSA-N 240.306 2.880 0 50 BFAA CCOc1ccc(C(=O)O)cc1-c1ccncc1 32577674 MWDNOUJMPRWPDR-UHFFFAOYSA-N 243.262 2.846 0 50 BFAA O=C(O)c1cccc(-c2ccc(F)cc2F)n1 35630174 FUNOQGWVZGTACQ-UHFFFAOYSA-N 235.189 2.725 0 50 BFAA CCN1CCc2cc(Br)ccc2C1 74449549 YZGICEWDTPWCAC-UHFFFAOYSA-N 240.144 2.827 0 50 BFAA in-vitro Cc1cn(-c2cc(N)cc(C(F)(F)F)c2)cn1 84397771 WWTGXYAJVXKEKL-UHFFFAOYSA-N 241.216 2.782 0 50 BFAA in-vitro Cc1cnc(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)s1 102838374 BSFIVAQEGXLFCF-LPEHRKFASA-N 236.340 2.826 0 50 BFAA Cc1c(O)cccc1C(=O)c1ccccc1 147962432 JJAYUTIKXKZADW-UHFFFAOYSA-N 212.248 2.932 0 50 BFAA CC(C)(C)OC(=O)Nc1cc(F)cc(CN)c1 258105375 KMNZOOXPIJZDBQ-UHFFFAOYSA-N 240.278 2.631 0 50 BFAA CN(Cc1c[nH]cn1)Cc1ccc(Cl)s1 280359019 CRZYNXPHQPHLOT-UHFFFAOYSA-N 241.747 2.757 0 50 BFAA c1csc(CN2[C@H]3CCC[C@H]2CC3)n1 334417523 QZZWQFSBHIHWHD-UWVGGRQHSA-N 208.330 2.660 0 50 BFAA C=CC(=O)NCCc1cc2ccccc2s1 863971134 GSOSYAKWXAFTOL-UHFFFAOYSA-N 231.320 2.746 0 50 BFAA O=C(O)Cc1cc(-c2ccccc2Cl)on1 1775955598 JLGMOQUIOUCDSF-UHFFFAOYSA-N 237.642 2.622 0 50 BFAA c1ccc(-c2nccn2CCc2cnc[nH]2)cc1 1875243942 FIIRLXUMFNBFML-UHFFFAOYSA-N 238.294 2.516 0 50 BFAA Cc1ccccc1C(=O)c1ccccc1C(=O)O 66672 FYDVJEVAEUYKOB-UHFFFAOYSA-N 240.258 2.924 0 50 BFAA Cc1ccc(-n2nc(C)c(C=O)c2Cl)cc1 106374 KQWYKJSWCFJJFS-UHFFFAOYSA-N 234.686 2.955 0 50 BFAA Cc1ccc(NC(=O)c2cccc(N)c2)cc1 243214 SFMBQQUKFGHDDU-UHFFFAOYSA-N 226.279 2.830 0 50 BFAA in-vitro CCC(=O)N[C@H](CC)Cc1ccccc1 270694 SHSUMUHTZMVKHB-GFCCVEGCSA-N 205.301 2.534 0 50 BFAA biogenic O=C(Cc1ccccc1)NCc1cccs1 376395 UHSXMZCOCLTZAH-UHFFFAOYSA-N 231.320 2.607 0 50 BFAA CC(C)(C)c1ccc(C(=O)NC2CC2)cc1 454361 XTUAPAIXLWGBPU-UHFFFAOYSA-N 217.312 2.876 0 50 BFAA O=C(O)CCC(=O)c1ccc2c(c1)CCCC2 4204322 KTIOSKUXBNFTFX-UHFFFAOYSA-N 232.279 2.613 0 50 BFAA CN(C)Cc1ccccc1[C@H]1CCCCN1 4234863 CJBNGRDOGNMGFQ-CQSZACIVSA-N 218.344 2.563 0 50 BFAA in-vitro CCn1c([C@@H]2CCCO2)nc2ccccc21 4386845 RTVLHXYBEKPZNC-LBPRGKRZSA-N 216.284 2.908 0 50 BFAA CC[C@H](O)c1c(F)c(F)c(F)c(F)c1F 5019535 QRHBGWMLUAGPNM-VKHMYHEASA-N 226.144 2.826 0 50 BFAA CCCOc1ccc(C(=O)O)cc1Cl 7604062 WOBLCPMGDGMEBX-UHFFFAOYSA-N 214.648 2.827 0 50 BFAA in-vitro O=Cc1cc(Cl)ccc1Br 12956408 IIISHLMCTDMUHH-UHFFFAOYSA-N 219.465 2.915 0 50 BFAA in-vitro Brc1ccc(N2CCCCC2)nc1 19721240 AEDSMUUEBQNEAA-UHFFFAOYSA-N 241.132 2.834 0 50 BFAA in-vitro Brc1ccccc1[C@@H]1CCNC1 71532731 UDPMAKWIVUVLMO-MRVPVSSYSA-N 226.117 2.526 0 50 BFAA Oc1cccc(-c2nccn2CC(F)(F)F)c1 71708050 URCGLCPFJVPOSK-UHFFFAOYSA-N 242.200 2.818 0 50 BFAA CC(=O)Nc1c(Cl)ccc(C(=O)O)c1Cl 81140970 JTNUYPZFVNHVGY-UHFFFAOYSA-N 248.065 2.650 0 50 BFAA CCOC(=O)c1c(-c2ccc(O)cc2)noc1C 95626919 RMSISQARGKWFFF-UHFFFAOYSA-N 247.250 2.532 0 50 BFAA in-vitro Fc1ccc(Br)c([C@@H]2CO2)c1 149883885 MVFZMOCAJVFKOF-QMMMGPOBSA-N 217.037 2.660 0 50 BFAA CC(=O)c1sccc1OCc1nccs1 193532428 SOQSJDVCJKVYCW-UHFFFAOYSA-N 239.321 2.986 0 50 BFAA c1ccc2c(N[C@H]3C[C@@H]4OCC[C@H]34)nccc2c1 220576146 AQIJPZYRYYGCFY-RDBSUJKOSA-N 240.306 2.824 0 50 BFAA CC[C@H](N)c1cc(O)cc(C(F)(F)F)c1 238313859 AUOCTCBFOZBHRT-VIFPVBQESA-N 219.206 2.821 0 50 BFAA Cc1csc(NC(=O)N[C@@H]2C[C@H]2C(C)C)n1 331859213 FMNNBUVOWVRHPU-DTWKUNHWSA-N 239.344 2.618 0 50 BFAA OCCNCc1ccc2oc3ccccc3c2c1 753948050 VOZJVMZAAHCCJU-UHFFFAOYSA-N 241.290 2.668 0 50 BFAA COc1ccccc1NC(=O)N1CCCCC1 396324 NMUPNXITHLIEAV-UHFFFAOYSA-N 234.299 2.713 0 50 BFAA CCC(CC)[C@@H](O)C[C@@H](O)CC(C)C 1655721 MPURTQWGOYOLEZ-RYUDHWBXSA-N 202.338 2.581 0 50 BFAA c1ccc2sc([C@@H]3CCCNC3)nc2c1 2657415 PXPKASSSZWCUJE-SECBINFHSA-N 218.325 2.763 0 50 BFAA in-vitro CC(C)Oc1ccc(OCCn2ccnc2)cc1 4810572 OWVPHBAVRCPFHC-UHFFFAOYSA-N 246.310 2.749 0 50 BFAA Cc1ccc(COc2ccc(C(N)=O)cc2)cc1 7509801 MHZHQGAWHTYTDU-UHFFFAOYSA-N 241.290 2.673 0 50 BFAA CC1(C)CN2C(c3ccc(Cl)cc3)N2C1 19169536 GRLMWLSCQPITMV-UHFFFAOYSA-N 222.719 2.911 0 50 BFAA FC(F)(F)c1ccnn1-c1cccc(Cl)n1 38537344 OCZTUNUDTAJGPS-UHFFFAOYSA-N 247.607 2.940 0 50 BFAA in-vitro CCOc1ncccc1-c1cnc(Cl)cn1 67821091 DNIXXBXWDMDQLU-UHFFFAOYSA-N 235.674 2.591 0 50 BFAA CNC(=O)Oc1cccc2c(F)cc(F)cc12 71765842 GGLVWGSOWMWOKG-UHFFFAOYSA-N 237.205 2.836 0 50 BFAA N[C@H]1CCCc2cc(Br)ccc21 85224158 JBGXAYOORBASGV-JTQLQIEISA-N 226.117 2.785 0 50 BFAA in-vitro Cc1cnc(-c2ncnn2C2CCCCC2)cn1 91651258 QDCFBABFEMNODD-UHFFFAOYSA-N 243.314 2.549 0 50 BFAA C1CCC([C@@H](N[C@H]2CCOC2)C2CC2)CC1 134790280 PWTQEBPMZYTLRT-UONOGXRCSA-N 223.360 2.724 0 50 BFAA CCN(C(=O)c1cc(C)on1)c1ccccc1F 335908757 TUFLLKYRIRSUAZ-UHFFFAOYSA-N 248.257 2.789 0 50 BFAA Cc1ccc([C@@H](C)Nc2cc(C#N)ncn2)s1 383423638 ZMMPVAOMSIAIRI-SECBINFHSA-N 244.323 2.891 0 50 BFAA C=CC(=O)NC[C@@H]1C[C@@]12CCCc1ccccc12 888102151 IWRZTNVTIBVOAG-BBRMVZONSA-N 241.334 2.583 0 50 BFAA COc1cnc(-c2ccc([C@@H](C)OC)cc2)nc1 1506414313 OHAIAWARJNJKLG-SNVBAGLBSA-N 244.294 2.860 0 50 BFAA CCc1cc(-c2nccn2C2(C3CC3)CC2)on1 1857706421 QSDLEYYRYLSKKK-UHFFFAOYSA-N 243.310 3.000 0 50 BFAA Cc1ccnc(Nc2cccc(N(C)C)c2)n1 1859835642 FCOMDILQTNMJEA-UHFFFAOYSA-N 228.299 2.595 0 50 BFAA CSc1nnc2sc3ccccc3n12 114761 CBORUMKHTLMDNG-UHFFFAOYSA-N 221.310 2.666 0 50 BFAA COc1ncnc2sc3c(c12)CCCC3 116423 APMNRWQWJSNFBB-UHFFFAOYSA-N 220.297 2.579 0 50 BFAA COc1ccc(-c2nc(N)sc2C)cc1 4069950 WUTXFLYFZOMYSF-UHFFFAOYSA-N 220.297 2.709 0 50 BFAA in-vitro C[C@H]1C[C@H](C[C@@H]2CC[C@H](N)[C@H](C)C2)CC[C@@H]1N 4538050 IGSBHTZEJMPDSZ-QLKXBERHSA-N 238.419 2.904 0 50 BFAA in-vitro Cc1cc(Nc2ccccc2F)nc(C)n1 12016510 BCNALZNCCYNAEU-UHFFFAOYSA-N 217.247 2.976 0 50 BFAA COc1ccc(NC(=O)c2cc(C)on2)c(C)c1 13326283 RVPIBXFNMMHVIS-UHFFFAOYSA-N 246.266 2.552 0 50 BFAA COC(=O)CSc1cc(C)ccc1C 20297669 NBAOXXZTTODBBE-UHFFFAOYSA-N 210.298 2.569 0 50 BFAA CCc1ccc([C@@H](C)[C@@H](C(C)=O)C(=O)O)cc1 43190891 GJVNRNNEIQSOIK-RNCFNFMXSA-N 234.295 2.642 0 50 BFAA FC(F)(F)c1cnc(C(F)(F)F)cn1 79387519 DUCHHTWSOPWERT-UHFFFAOYSA-N 216.084 2.514 0 50 BFAA c1c[nH]c([C@H]2CCCN(Cc3ccsc3)C2)n1 92073819 CMXZQHQWWITCTD-LBPRGKRZSA-N 247.367 2.851 0 50 BFAA COC(=O)C1(c2ccccc2Cl)CCC1 97757078 JJZIRDPIWPMYDG-UHFFFAOYSA-N 224.687 2.935 0 50 BFAA CC(=O)Nc1cc(F)ccc1Br 113690967 ZONOJQNMZGORON-UHFFFAOYSA-N 232.052 2.547 0 50 BFAA CC(C)CNC(=O)N1CC[C@@H](c2ccccc2)C1 119805900 VNSYXZWWOSNDNU-CQSZACIVSA-N 246.354 2.842 0 50 BFAA CC[C@H](NCCO)c1cccc(Cl)c1F 135042366 KKNRABLBHMPAGR-JTQLQIEISA-N 231.698 2.512 0 50 BFAA c1ccc(N2CC[C@H]3CCCC[C@H]32)nc1 225261583 ZCFZTNRSWIDGOO-VXGBXAGGSA-N 202.301 2.851 0 50 BFAA CC(C)(C)CCCNc1ncnc2oncc12 225504481 OKACBPWOKOFSHA-UHFFFAOYSA-N 234.303 2.856 0 50 BFAA OCc1c(F)ccc(Cl)c1Br 258246020 MDQGLNBTTBXXFT-UHFFFAOYSA-N 239.471 2.734 0 50 BFAA Cc1nc(-c2ccc(C)c3ncccc23)n(C)n1 426541536 QWELYAAXCJIVCF-UHFFFAOYSA-N 238.294 2.647 0 50 BFAA CC1(C)CC[C@H]1C(=O)Nc1nccs1 665575483 VHYUWASBVTZLBZ-ZETCQYMHSA-N 210.302 2.518 0 50 BFAA C[C@H](NCc1cccnc1)c1ccccc1 805077 QEPYRJGFVSHVHM-LBPRGKRZSA-N 212.296 2.932 0 50 BFAA Oc1c(F)cc(Cl)cc1Br 2527878 VGDYUSDMWUDGAB-UHFFFAOYSA-N 225.444 2.947 0 50 BFAA in-vitro CCC(CC)NC(=O)COc1ccc(C)cc1 2774539 PQUSOMLZCUZIKB-UHFFFAOYSA-N 235.327 2.679 0 50 BFAA CCCNC(=S)Nc1ccc(OCC)cc1 2929706 KTFNAZDHGKHQKY-UHFFFAOYSA-N 238.356 2.782 0 50 BFAA Cc1ccc(N2C(=O)CCCC2=O)cc1Cl 3086187 LSYGSVXTGMAPRL-UHFFFAOYSA-N 237.686 2.692 0 50 BFAA Cc1cc(C)c(N2C(=O)CCCC2=O)c(C)c1 3086193 BSKUWEHXSCRUND-UHFFFAOYSA-N 231.295 2.655 0 50 BFAA Cc1cc(C)nc(NC(=O)c2csc(C)c2)n1 4750060 BEHINJMYYPQLPG-UHFFFAOYSA-N 247.323 2.716 0 50 BFAA COc1c(C)cccc1C(=O)NCc1ccco1 4841998 DDJPBUWTPCPRJF-UHFFFAOYSA-N 245.278 2.527 0 50 BFAA Cc1ccc(C(=O)N[C@@H](C)[C@H]2CCCO2)cc1C 6730588 PHPBKIILYPSVTQ-GXTWGEPZSA-N 247.338 2.601 0 50 BFAA c1ccc(Cc2nc3n(n2)Cc2ccccc2-3)cc1 6760588 NDONVOAJMOYCEJ-UHFFFAOYSA-N 247.301 2.898 0 50 BFAA O=C(O)c1cnoc1-c1cccc(Cl)c1 8700107 BFTOBWVSHBDZQV-UHFFFAOYSA-N 223.615 2.693 0 50 BFAA CC(C)c1ccc([C@]2(C)CNCCO2)cc1 11803643 CZERBNKRNMFZRL-AWEZNQCLSA-N 219.328 2.645 0 50 BFAA CC(C)c1noc(-c2cccc(O)c2)n1 22120103 RXMHZMMNRISLGD-UHFFFAOYSA-N 204.229 2.566 0 50 BFAA Cc1ccc(-c2cccc(C(=O)O)n2)cc1 35630168 WEXUERZPCHAIKU-UHFFFAOYSA-N 213.236 2.755 0 50 BFAA in-vitro Cc1cc2c(cnn2C)cc1Br 36533436 GDVORDVVHXRNAP-UHFFFAOYSA-N 225.089 2.644 0 50 BFAA in-vitro O=C(O)Cc1cccc(Br)c1Cl 60032040 IEIASDIYIMXQEK-UHFFFAOYSA-N 249.491 2.730 0 50 BFAA in-vitro CCNC(=O)c1cccc(-c2ccccc2O)c1 65340093 LPTWLIBHEYXBSW-UHFFFAOYSA-N 241.290 2.809 0 50 BFAA in-vitro CCc1cc(CN(C)CCc2ccccc2)on1 65408220 STQMXYPILAEMQO-UHFFFAOYSA-N 244.338 2.912 0 50 BFAA CO[C@@H](C)c1nc(-c2cnoc2C)cs1 170618877 MAMNYEJDSHKXEV-ZETCQYMHSA-N 224.285 2.814 0 50 BFAA C[Si](C)(C)/C=C/I 195919322 RKRULIZTYHNKIG-SNAWJCMRSA-N 226.133 2.813 0 50 BFAA COc1ccc(C[C@H](C(=O)O)C(F)(F)F)cc1 211907559 CQYHJXOOIMISMD-SECBINFHSA-N 248.200 2.501 0 50 BFAA NCc1c(Cl)cccc1Br 215832964 MBIMYEQDLUIZAR-UHFFFAOYSA-N 220.497 2.561 0 50 BFAA FC(F)c1nc2c(Cl)ncnc2s1 218678604 IHQNDGGDVOEBFB-UHFFFAOYSA-N 221.619 2.677 0 50 BFAA Cc1c(F)ccc(Br)c1C(=O)O 238487724 WMZOIRLDOANQDC-UHFFFAOYSA-N 233.036 2.595 0 50 BFAA O=C(O)c1cc2nc(Cl)ccc2s1 258097771 XNFULVAVDXQZQG-UHFFFAOYSA-N 213.645 2.648 0 50 BFAA CC(C)(C)C(=O)NC[C@H]1CCCC1(F)F 334621438 QNOLEFOSXXDTOH-MRVPVSSYSA-N 219.275 2.584 0 50 BFAA CCC[C@]1(C(F)(F)F)CCCN1C(C)=O 335908869 LOYIMVRNNQVHKD-SECBINFHSA-N 223.238 2.730 0 50 BFAA Cc1ncccc1-c1cccc(O)c1F 725269900 AGVPJFBREDOORC-UHFFFAOYSA-N 203.216 2.902 0 50 BFAA CSC[C@@H](C)c1nc(C2(CF)CC2)no1 952881694 MLVAEPFHTBHTTM-SSDOTTSWSA-N 230.308 2.537 0 50 BFAA CN(C(=O)Cc1ccccc1)c1ccccc1 29273 XXNXIMQGNHSNGK-UHFFFAOYSA-N 225.291 2.892 0 50 BFAA CCN(CC)CC(=O)Nc1c(C)cc(C)cc1C 42136 GOZBHBFUQHMKQB-UHFFFAOYSA-N 248.370 2.892 0 50 BFAA in-man O=C(Nc1ccc(Cl)cc1O)c1ccco1 178360 JRFMXCHVUBTYFT-UHFFFAOYSA-N 237.642 2.891 0 50 BFAA CC(=O)Nc1nc2c(C)cccc2s1 190884 REWPYVREDAQTMO-UHFFFAOYSA-N 206.270 2.563 0 50 BFAA COC(=O)Nc1cc(Cl)ccc1OC 375227 CLYCHZNRUGETHQ-UHFFFAOYSA-N 215.636 2.527 0 50 BFAA Cc1cc2cc(CO)c(Cl)nc2cc1C 421639 FVHRDDVYXFKXKE-UHFFFAOYSA-N 221.687 2.997 0 50 BFAA in-vitro CCCCN(C)C1CCN(CCC)CC1 2499065 ZFXGXZOUTWNKJG-UHFFFAOYSA-N 212.381 2.593 0 50 BFAA Clc1ccc(CNc2nccs2)cn1 6528127 MBJWUWGIXAKIHD-UHFFFAOYSA-N 225.704 2.804 0 50 BFAA in-vitro c1ccc(-c2nnc3n2CCCCS3)cc1 10312536 UGLZULDSDHPKNH-UHFFFAOYSA-N 231.324 2.831 0 50 BFAA Cc1ccc(F)c(NC(=O)c2c(C)noc2C)c1 13325460 IRRCTZOKWFJCPH-UHFFFAOYSA-N 248.257 2.991 0 50 BFAA O=C(c1cccc(Cl)c1)c1ccccn1 14987912 DTEIFMBOVCPJGY-UHFFFAOYSA-N 217.655 2.966 0 50 BFAA in-vitro O[C@H](CCc1ccncc1)c1ccccc1 15782547 XGBCDHNPEDEGIE-CQSZACIVSA-N 213.280 2.748 0 50 BFAA Nc1ccccc1C(=O)c1ccc(F)cc1 16158247 FFFXIQFESQNINT-UHFFFAOYSA-N 215.227 2.639 0 50 BFAA in-vitro Cc1ccccc1-c1cncc(C(=O)O)c1 16947364 MHRKSAQEXFTVFQ-UHFFFAOYSA-N 213.236 2.755 0 50 BFAA in-vitro CC(C)(C)OC(=O)N1CCC(F)(F)CC1 67172961 HHBBBPZPEBZLII-UHFFFAOYSA-N 221.247 2.653 0 50 BFAA in-vitro CCC/C=C/c1ccc(NC(C)=O)nc1 67954706 KKJPJKSGLFPKTI-AATRIKPKSA-N 204.273 2.853 0 50 BFAA COc1cc(C)c(F)cc1Br 78410889 NYCQPWWRAJTUAD-UHFFFAOYSA-N 219.053 2.905 0 50 BFAA Cc1cccc(O)c1NC(=O)c1ccccc1O 170592977 BVJXLLNOOGYONL-UHFFFAOYSA-N 243.262 2.659 0 50 BFAA C[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]2CCCC[C@H]21 249296219 BGWHGSUFDVQZRR-MROQNXINSA-N 221.344 2.824 0 50 BFAA CCCOc1cccc(-c2nc[nH]c(=N)c2C)c1 426518197 DSAQBJFDEGCURO-UHFFFAOYSA-N 243.310 2.653 0 50 BFAA O=C(/C=C/c1ccccc1)N1C[C@@H]2CCC[C@@H]21 491870394 OUINYXVKEJXLIZ-KYXFNPKGSA-N 227.307 2.711 0 50 BFAA O=C(O)c1ccccc1C(=O)Nc1ccccc1 83803 DSUPUOGOCIFZBG-UHFFFAOYSA-N 241.246 2.637 0 50 BFAA biogenic,in-vitro Cc1nc(CC(=O)O)c(-c2ccccc2)s1 114687 ILFHJGORBRMWSE-UHFFFAOYSA-N 233.292 2.746 0 50 BFAA COC[C@@H](C)NCc1cccc2ccccc12 182854 PKIUGZHCULIPDQ-GFCCVEGCSA-N 229.323 2.964 0 50 BFAA C[C@H](O)COc1ccc(C(C)(C)C)cc1 395005 ZBMCOYJNWKBBCY-JTQLQIEISA-N 208.301 2.744 0 50 BFAA COC(=O)c1sc(Nc2ccccc2)nc1C 1004541 MIWAZZSIWVVADG-UHFFFAOYSA-N 248.307 2.982 0 50 BFAA NCCSCc1ccc(Cl)cc1 2383483 XDZOGIGEHJMWPA-UHFFFAOYSA-N 201.722 2.532 0 50 BFAA in-vitro COc1cccc(-c2ccc(C(=O)O)o2)c1 2541776 RIIFZAPFLSKUTL-UHFFFAOYSA-N 218.208 2.653 0 50 BFAA in-vitro CCCCCC[C@](N)(CC)C(=O)OCC 2547629 BWFGKSUCLYNHHE-GFCCVEGCSA-N 215.337 2.627 0 50 BFAA in-vitro Cc1cc2occ(CC(N)=O)c2c(C)c1Cl 4867579 VFTNDKWGDNESKX-UHFFFAOYSA-N 237.686 2.731 0 50 BFAA C/C(=C\c1ccccc1)C(=O)N1CCCC1 4952347 WWNSRKLQKKRFKL-VAWYXSNFSA-N 215.296 2.712 0 50 BFAA O=NN1C[C@@]23C=CCC[C@@]2(CCCC3)C1 5411796 ZXBDLRFZRVQEPX-NWDGAFQWSA-N 206.289 2.880 0 50 BFAA CCCCC(=O)Nc1cccc(C(=O)O)c1 12274134 STTIGHKIHLCAAS-UHFFFAOYSA-N 221.256 2.514 0 50 BFAA in-vitro FC(F)(F)c1ccc(CNC2CC2)cc1 20282139 FCKDAIHABVNEFH-UHFFFAOYSA-N 215.218 2.957 0 50 BFAA OCCCc1cccc2c1SCCC2 43198886 BMHDZQMLHGCHJB-UHFFFAOYSA-N 208.326 2.650 0 50 BFAA COc1ccc(F)c(C(F)(F)F)c1F 97758800 SWXZIOYTPHIXSU-UHFFFAOYSA-N 212.117 2.992 0 50 BFAA O=C(c1c(O)cccc1F)N1CCC2(CCC2)C1 129415001 JUHMKPPSAXZKLV-UHFFFAOYSA-N 249.285 2.548 0 50 BFAA C[C@H]1CCC[C@@H](CCN2CCC[C@@H]2C(=O)O)C1 237521063 OMAFQQGOPKTRBJ-RWMBFGLXSA-N 239.359 2.752 0 50 BFAA Cc1ccnc(C)c1NC(=O)[C@H]1C[C@@H]2C[C@@H]2C1 306089589 LHEQMRNQZMMUKL-ZSBIGDGJSA-N 230.311 2.683 0 50 BFAA CCC[C@@H](C(=O)NC(C)(C)C)n1cccc1 952962934 MHLLBFLDBLFEON-NSHDSACASA-N 222.332 2.744 0 50 BFAA N[C@@H](C1CCC1)C1(O)CCCCCCC1 958527705 FBKOVVBMJLUWGO-LBPRGKRZSA-N 211.349 2.589 0 50 BFAA C=CC(=O)Nc1noc2cc(Cl)ccc12 1875366605 SCGXQDRKXCTQGR-UHFFFAOYSA-N 222.631 2.606 0 50 BFAA CCOc1cc2oc(=O)cc(C)c2cc1OCC 58068 BVALWPRSDDHKIU-UHFFFAOYSA-N 248.278 2.899 0 50 BFAA biogenic Cc1occc1C(=O)Nc1ccc(C(=O)O)cc1 269598 VMBBGDKDZZCNFS-UHFFFAOYSA-N 245.234 2.539 0 50 BFAA Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)no1 476766 PSRQPFSQPUKINL-NWDGAFQWSA-N 242.278 2.725 0 50 BFAA CCCNC(=O)CSc1ccc(C)cc1 4547365 NQYFFDDAMPKKJF-UHFFFAOYSA-N 223.341 2.613 0 50 BFAA COc1cccc([C@H](C)NC(=O)[C@@H]2C[C@@H]2C)c1 5696806 CXLVKRUTZUTCPU-OUJBWJOFSA-N 233.311 2.528 0 50 BFAA CC(C)[C@@H](C(=O)NCc1ccco1)n1cccc1 12137316 CFYUXIPCYMGMMA-ZDUSSCGKSA-N 246.310 2.595 0 50 BFAA C[C@@H](CCN(C)CCN(C)C)c1ccccc1 19633203 KZTXXBYVLJMVOU-AWEZNQCLSA-N 234.387 2.674 0 50 BFAA O=C(CF)c1ccc(Br)cc1 34116805 PATCUTBZBAERHM-UHFFFAOYSA-N 217.037 2.601 0 50 BFAA NCc1ccc(C(F)(F)C(F)(F)F)cc1 34363442 IKERQTORZIQKHC-UHFFFAOYSA-N 225.160 2.799 0 50 BFAA in-vitro CO[C@@H](C(=O)O)c1ccc2ccccc2c1 34583680 OQVFHDWREDKUCW-GFCCVEGCSA-N 216.236 2.612 0 50 BFAA CC(C)(C)OC(=O)N1CCc2c(O)cccc2C1 34936495 HOTHBGIMLRDQNB-UHFFFAOYSA-N 249.310 2.685 0 50 BFAA Nc1ccccc1CNCc1ccccc1 39256406 FTSXPJFPSSHMFW-UHFFFAOYSA-N 212.296 2.559 0 50 BFAA COc1ccc(CN(C)CC2(C)CC2)cc1OC 65496300 METXOXWHDJFVDW-UHFFFAOYSA-N 249.354 2.936 0 50 BFAA O=C(O)c1cc(OC(F)F)c2ccoc2c1 73739490 UGKZNGDFNMSTNS-UHFFFAOYSA-N 228.150 2.732 0 50 BFAA Cc1ccsc1C(=O)c1ccccn1 84193717 FJYIBYBFTLWFCG-UHFFFAOYSA-N 203.266 2.683 0 50 BFAA FC(F)(F)c1cc(Cl)nnc1Cl 86012957 FCAYXJJTFRBHIQ-UHFFFAOYSA-N 216.977 2.802 0 50 BFAA in-vitro NCc1cc(Cl)ccc1C(F)(F)F 95067838 CTDODRLKRDGBNQ-UHFFFAOYSA-N 209.598 2.818 0 50 BFAA CCCOc1cc(C(=O)OC)ccc1Cl 97756821 YAEBYQUIQDUVGX-UHFFFAOYSA-N 228.675 2.915 0 50 BFAA CC(C)=CCN1CCCC[C@H]1c1cn[nH]c1 114482819 OLZKJGSXKKQJSJ-ZDUSSCGKSA-N 219.332 2.903 0 50 BFAA O=C(C1[C@H]2CCCC[C@H]12)N1CCC(F)(F)CC1 225440366 KXYSIZNLCWFLBM-UWVGGRQHSA-N 243.297 2.680 0 50 BFAA CCCCC[C@@H]1C[C@H](O)C=C(C)[C@H]1C(=O)OC 239432854 WQGFGVARUZYEFH-JHJVBQTASA-N 240.343 2.683 0 50 BFAA biogenic Cc1cccnc1CN(C)CC[C@@H]1CCCCO1 244874915 XJNOZXIEYXFKNL-AWEZNQCLSA-N 248.370 2.781 0 50 BFAA CC1(C)CN([C@@H]2C[C@@H]2c2ccccc2)CC[C@@H]1O 291176281 NSYTVKRMHVCBPK-KFWWJZLASA-N 245.366 2.635 0 50 BFAA COc1c(Cl)cc(Cl)c(C(=O)O)c1F 1772718383 SVZSCAVEPSEMCO-UHFFFAOYSA-N 239.029 2.839 0 50 BFAA Cc1occc1C(=O)Nc1cccc(O)c1 446426 RYFXYSCKNZGIME-UHFFFAOYSA-N 217.224 2.546 0 50 BFAA in-vitro c1ccc(CC[C@H]2NCCn3cccc32)cc1 771851 CLZWYXPUVGOCAR-CQSZACIVSA-N 226.323 2.765 0 50 BFAA CCOC(=O)[C@@]1(Cc2ccccc2)CCCC1=O 1686510 IKDYNDOAHRZGKH-OAHLLOKOSA-N 246.306 2.532 0 50 BFAA CCN(CCOc1ccccc1)C(=O)C=C(C)C 2160154 DKUBKXQHGSVWRT-UHFFFAOYSA-N 247.338 2.880 0 50 BFAA CCCCCS(=O)(=O)c1ccc(C)cc1 2173124 KOAQLWGJWXORRX-UHFFFAOYSA-N 226.341 2.959 0 50 BFAA Cc1ccc(OCC(=O)N2CCCCC2)cc1C 2990644 BYMZNJXTOJHMCI-UHFFFAOYSA-N 247.338 2.695 0 50 BFAA CCOC(=O)Nc1ccc(-n2ccc(C)n2)cc1 4779426 ZBYMGBQMWUAFFW-UHFFFAOYSA-N 245.282 2.749 0 50 BFAA CCN(CC)C(=O)N1c2ccccc2C[C@H]1C 6702196 PLGKQPHLXCSJRY-LLVKDONJSA-N 232.327 2.899 0 50 BFAA O=C(NC1CCCC1)N1CCCCCC1 13328234 NHJKVCHVKLNPAE-UHFFFAOYSA-N 210.321 2.515 0 50 BFAA C[S@](=O)c1ccccc1-c1ccc(C=O)cc1 14007631 SCIJKDIZGGPJFV-QGZVFWFLSA-N 244.315 2.904 0 50 BFAA C[C@H]1CN(C/C=C/c2ccccc2)C[C@@H](C)O1 23281929 MJSOKZQNFQUZPA-YLXGSJGQSA-N 231.339 2.809 0 50 BFAA Oc1cc(Cl)cc(OC(F)(F)F)c1 38529965 GDQVMGRMDBOXLX-UHFFFAOYSA-N 212.554 2.944 0 50 BFAA in-vitro O=C(O)CCCc1ccccc1Br 39603420 GUSZDDKXBDHOLW-UHFFFAOYSA-N 243.100 2.856 0 50 BFAA Fc1cc(S)cc(Br)c1 67799983 GGVUNSZTZDPBEY-UHFFFAOYSA-N 207.067 2.877 0 50 BFAA Cc1csc(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)n1 101565964 TWKOKBQQEGAVOJ-GUBZILKMSA-N 236.340 2.826 0 50 BFAA O=C(O)c1coc(SCc2ccccc2)n1 165927146 PAERXEPSLUMGEP-UHFFFAOYSA-N 235.264 2.665 0 50 BFAA C1=C[C@H](N2CCC([C@@H]3CCCO3)CC2)CCC1 189122075 RJDRYZATHAGQTB-GJZGRUSLSA-N 235.371 2.986 0 50 BFAA C[C@H]1CN(CCC(=O)O)CC[C@H]1c1ccccc1 253430141 WZLWUSHJUJQOJR-GXTWGEPZSA-N 247.338 2.587 0 50 BFAA CC1(C)C[C@@H]1C(=O)NC1CCC(C(F)F)CC1 335148787 ZYYWFMJWEMEQJE-UDNWOFFPSA-N 245.313 2.973 0 50 BFAA CCN1CC=C(c2ccc(Cl)nc2)CC1 374999620 RNSDBDLYYAXEMX-UHFFFAOYSA-N 222.719 2.844 0 50 BFAA COC(OC)c1ccc(Br)cc1 57119 TWFNGPDYMFEHOB-UHFFFAOYSA-N 231.089 2.741 0 50 BFAA in-vitro O=C1CCNc2c(Cl)cc(Cl)cc21 240683 IHFYJLOOWUDKMZ-UHFFFAOYSA-N 216.067 2.992 0 50 BFAA CC(=O)Nc1nc2c(C)cc(C)cc2s1 911969 SUUOTEZWCINDPT-UHFFFAOYSA-N 220.297 2.872 0 50 BFAA CC[C@@H](C)c1ccccc1OC(=O)NC 2038416 DIRFUJHNVNOBMY-SECBINFHSA-N 207.273 2.918 0 50 BFAA biogenic,in-vitro O=C(O)Cc1cc(F)c(Cl)cc1Cl 2574994 LFLORXCBEGTRHI-UHFFFAOYSA-N 223.030 2.760 0 50 BFAA in-vitro COc1ccc(-n2cc[nH]c2=S)cc1 3356995 LIEBCNQPMNARMP-UHFFFAOYSA-N 206.270 2.543 0 50 BFAA in-vitro Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3C(=O)O 3683850 ZHHYZWVFPWNKJL-SNVBAGLBSA-N 229.279 2.981 0 50 BFAA CCOc1ccc2c3c(c(=O)oc2c1C)CCC3 4008598 PIPDXDFQILLUJZ-UHFFFAOYSA-N 244.290 2.989 0 50 BFAA C[C@H]1CC[C@H](N(C)CCc2ccccn2)C1 4333374 YKOLEEBTTJYMEP-JSGCOSHPSA-N 218.344 2.745 0 50 BFAA Cc1cccc(OCCN2CCCCC2)c1 4989901 GLJWGPKMQNUEBP-UHFFFAOYSA-N 219.328 2.860 0 50 BFAA CCc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3 5093174 LAHVAYPJHBIIKN-ZETCQYMHSA-N 248.351 2.672 0 50 BFAA CCCOc1ccccc1-c1nnc(S)[nH]1 5738619 QDTWHRLKCHCHOC-UHFFFAOYSA-N 235.312 2.549 0 50 BFAA O=C1C/C(=C\c2ccccc2F)N2CCC1CC2 5764077 SWVOZCCALVRIKL-UKTHLTGXSA-N 245.297 2.851 0 50 BFAA COc1cccc([C@@H](C)NC(=O)C2CCC2)c1 6729459 SMNHQEQOITXGKY-SNVBAGLBSA-N 233.311 2.673 0 50 BFAA Sc1nncn1-c1cc(Cl)cc(Cl)c1 6828453 NRFKVYAJBOVDOP-UHFFFAOYSA-N 246.122 2.863 0 50 BFAA O=C(O)c1ccccc1CNC1CCCCC1 10436522 KVFMPRDAODYNRH-UHFFFAOYSA-N 233.311 2.807 0 50 BFAA C[C@H](O)c1cc(Br)ccc1F 40448686 QWIJUQVYIYCHMK-YFKPBYRVSA-N 219.053 2.642 0 50 BFAA CCOC(=O)c1cc(C)ccc1Br 84193734 NZBKEVGEFGDOBZ-UHFFFAOYSA-N 243.100 2.934 0 50 BFAA Oc1cccc2ncc(Br)cc12 85223435 NJBHLUVEQVTPCC-UHFFFAOYSA-N 224.057 2.703 0 50 BFAA O=C(O)c1c(Cl)ccc2ncccc12 115309652 YMJPJHOYDHXFAZ-UHFFFAOYSA-N 207.616 2.586 0 50 BFAA O=C(NCC1(C2CC2)CC1)Nc1ccc(F)cn1 123440547 ILBPNSFPBHVFTN-UHFFFAOYSA-N 249.289 2.532 0 50 BFAA COc1c(Cl)ccc2[nH]c(C(=O)O)cc12 139002958 IPBWQTYEIPEACB-UHFFFAOYSA-N 225.631 2.528 0 50 BFAA Cc1cncc(NCc2ccc(O)cc2)c1 170087915 RNKRTWLVMBROBE-UHFFFAOYSA-N 214.268 2.708 0 50 BFAA Cc1n[nH]cc1CN[C@@H]1CCC[C@H](C)[C@H]1C 225329251 PTWDBOJHAJNARO-OPQQBVKSSA-N 221.348 2.632 0 50 BFAA O=C(O)c1sc2ccoc2c1Cl 228938319 QYNXPBIKUPYWOM-UHFFFAOYSA-N 202.618 2.846 0 50 BFAA C[C@H]1CC[C@H](Sc2nc3ncncc3[nH]2)C1 292639983 LMVNJUUTSNVSBB-YUMQZZPRSA-N 234.328 2.634 0 50 BFAA Cc1csc(=NC(=O)Nc2ccccc2)n1C 334157729 GFQPTFYYMAELMC-UHFFFAOYSA-N 247.323 2.528 0 50 BFAA O=C1CCCC[C@H]1Sc1nc2c([nH]1)CCC2 336419424 GLLUFEKMHYFTKE-LLVKDONJSA-N 236.340 2.502 0 50 BFAA C[C@@H]1C[C@@H]1C(=O)N[C@H]1CCC[C@H](C2CC2)C1 685939489 QCLFIMYJAVLOSV-IXOXFDKPSA-N 221.344 2.727 0 50 BFAA C=CC(=O)N1CCCc2cc(Cl)ccc21 848979611 SUKPNHBUUZZLEM-UHFFFAOYSA-N 221.687 2.805 0 50 BFAA O=C(O)c1cccc2c1-c1ccccc1C2 133563 WJNBLUOXTBTGMB-UHFFFAOYSA-N 210.232 2.956 0 50 BFAA in-vitro C[C@H]1C[C@H]1C(=O)Nc1cc(F)ccc1F 372133 FQBRESKKJAUMQD-POYBYMJQSA-N 211.211 2.559 0 50 BFAA O=c1c2ccc(Cl)cc2nc2n1CCCCC2 396012 GXAOGWQBVDMAMQ-UHFFFAOYSA-N 248.713 2.776 0 50 BFAA C[C@](O)(c1ccc(Cl)cc1)c1ccccn1 399054 MVGXHPOATKRSGF-ZDUSSCGKSA-N 233.698 2.991 0 50 BFAA O=C(O)c1ccc2nc(-n3cccc3)sc2c1 1043442 DPZMSPMBTFFIAN-UHFFFAOYSA-N 244.275 2.785 0 50 BFAA CSc1nnnn1-c1cccc2ccccc12 1071926 MRKVQUIXKVOTNM-UHFFFAOYSA-N 242.307 2.537 0 50 BFAA O=C(NCc1ccccc1)c1ccc(F)c(F)c1 1117019 NZOXBWNGOPAGPD-UHFFFAOYSA-N 247.244 2.895 0 50 BFAA O=c1cc[nH]c2cc(Cl)cc(Cl)c12 8648556 GESHSYASHHORJB-UHFFFAOYSA-N 214.051 2.835 0 50 BFAA Cc1cccc(C)c1NC(=O)c1ccccn1 10214503 SHZDEASIMRREIQ-UHFFFAOYSA-N 226.279 2.951 0 50 BFAA in-vitro Fc1ccc(Br)cc1C1OCCO1 14807924 WWJNPWYIXIIEJG-UHFFFAOYSA-N 247.063 2.634 0 50 BFAA CCOc1c(N)cc(F)cc1Br 37250564 RLUDPHPSOKVCEP-UHFFFAOYSA-N 234.068 2.569 0 50 BFAA Clc1ccc2ncc(Br)n2c1 38537077 LIBKDAUSMLPFBF-UHFFFAOYSA-N 231.480 2.750 0 50 BFAA FC(F)c1ccc(I)o1 80441135 IYCFNVDMAXUREA-UHFFFAOYSA-N 243.978 2.822 0 50 BFAA Cc1c(Cl)cncc1Br 85210612 LDFVQFBZBAVFSN-UHFFFAOYSA-N 206.470 2.806 0 50 BFAA CN1c2ccsc2C(=O)N2CCCCC[C@@H]21 96511633 SLZDUWLKTVRKDI-SNVBAGLBSA-N 236.340 2.540 0 50 BFAA C[C@@H]1COc2ccccc2N1Cc1nccs1 135203345 PHTJAHZPHBBQNC-SNVBAGLBSA-N 246.335 2.931 0 50 BFAA C[C@@]1(C(F)(F)F)NCCc2ccccc21 170091552 HZKBHOOJCXSPRR-SNVBAGLBSA-N 215.218 2.610 0 50 BFAA CCN(CC)C(=O)c1ccncc1C(F)(F)F 170614565 XJYBVDKJDQJJDC-UHFFFAOYSA-N 246.232 2.582 0 50 BFAA CCC1(CC)C[C@@H]1CNc1ncc(C)c(N)n1 1529168043 URLKOOIPJOVAGJ-SNVBAGLBSA-N 234.347 2.605 0 50 BFAA Cc1cc(C)n(C2CN([C@H]3CCC(C)(C)C3)C2)n1 1857695329 DXHHQESGRNRRCB-ZDUSSCGKSA-N 247.386 2.935 0 50 BFAA CC(=O)c1ccc(C(=O)OC[C@@H]2CCC[C@H]2C)[nH]1 1875295249 VCEJECRYBZUKSE-KOLCDFICSA-N 249.310 2.810 0 50 BFAA Fc1cc2cc[nH]c2c(F)c1-c1cc[nH]n1 1875340274 UAHQCAQINWSYPL-UHFFFAOYSA-N 219.194 2.836 0 50 BFAA Fc1ccc(-c2cn3cccnc3n2)cc1 71135 BXNLTAIOFQRLJP-UHFFFAOYSA-N 213.215 2.535 0 50 BFAA in-vitro Cc1nc(N)ncc1Sc1ccccc1 123743 VIDGCIWOPYNDCN-UHFFFAOYSA-N 217.297 2.518 0 50 BFAA Cc1occc1C(=O)n1cnc2ccccc21 476549 RNMFONOAMBWBCU-UHFFFAOYSA-N 226.235 2.626 0 50 BFAA COc1cc(O)c2c(c1)CCc1cc(O)ccc1-2 899126 RDKDIPDDUFMMMT-UHFFFAOYSA-N 242.274 2.872 0 50 BFAA biogenic,in-vitro Cc1cc(F)ccc1NC(=O)c1c(C)noc1C 1054008 AFBZXOUNLDRDGD-UHFFFAOYSA-N 248.257 2.991 0 50 BFAA COc1ccc(C(=O)c2ccccc2OC)cc1 1734081 QWWJLMQOKZOTNX-UHFFFAOYSA-N 242.274 2.935 0 50 BFAA in-vitro Cn1cccc1C(=O)C(Cl)(Cl)Cl 2510204 LWGNISUGCOYWRL-UHFFFAOYSA-N 226.490 2.578 0 50 BFAA in-vitro CCCCN(CC)C(=O)Cc1cccs1 2756180 XQYHCOZWOUKJII-UHFFFAOYSA-N 225.357 2.939 0 50 BFAA Brc1cncc([C@H]2CCCCN2)c1 3734705 DDOMWRSTHXDLLF-SNVBAGLBSA-N 241.132 2.659 0 50 BFAA CCCCN[C@@H](C)[C@@H]1COc2ccccc2O1 4025787 XFPBCCYIVGJTOP-FZMZJTMJSA-N 235.327 2.605 0 50 BFAA biogenic Cc1ccc(OCCN2CCCCC2)cc1 4989887 DTNPQRLFVANRNG-UHFFFAOYSA-N 219.328 2.860 0 50 BFAA CCn1ccc(C(=O)Nc2ccc(Cl)cc2)n1 6731857 HVWYSTOEVYZCDL-UHFFFAOYSA-N 249.701 2.809 0 50 BFAA C[C@H]1C[C@@H]1C(=O)NCc1ccc(Cl)cc1 12916163 BEYWKICFLRGLEB-KWQFWETISA-N 223.703 2.612 0 50 BFAA FC(F)c1nc(C(F)F)nc(C(F)F)n1 16082644 MVQIQWCWIMQVFD-UHFFFAOYSA-N 231.099 2.684 0 50 BFAA in-vitro CCCNC(=O)[C@H](C)Oc1ccccc1CC 19933279 BLKBXHRCTGDNBR-NSHDSACASA-N 235.327 2.543 0 50 BFAA Cc1cc(N2CCCC2)ncc1Br 38537811 HSMOVVXVWDKSDQ-UHFFFAOYSA-N 241.132 2.753 0 50 BFAA in-vitro COC(=O)N1C=CC2=C(C=C1)CCCC2 45069475 SURUJGSQNRXNBS-UHFFFAOYSA-N 205.257 2.966 0 50 BFAA Nc1cnc2cccc(Br)c2c1 72207309 OVPSXXBKGUKLER-UHFFFAOYSA-N 223.073 2.580 0 50 BFAA CC(C)c1noc(CN(C)C[C@H]2CC=CCC2)n1 97637934 FESSOCNSLJVUSR-LBPRGKRZSA-N 249.358 2.981 0 50 BFAA COc1ccc([C@H]2ON[C@@H](C)C=C2C)cc1 139820489 NDOWTCJTXMFCSO-GWCFXTLKSA-N 219.284 2.606 0 50 BFAA OCc1ccc(Cl)cc1OCC1CC1 146773600 CTWTYHHHLJGVEM-UHFFFAOYSA-N 212.676 2.621 0 50 BFAA C[C@H]1CCC[C@@H](NC(=O)[C@H]2C[C@H]2C)[C@@H]1C 248512988 CJMCXIVDFYLRQW-MTVMDMGHSA-N 209.333 2.583 0 50 BFAA CSc1cccc(-c2ccc(C(N)=O)cc2)n1 426477823 BHGXOYXHUAIEFI-UHFFFAOYSA-N 244.319 2.569 0 50 BFAA NC(=O)Oc1ccc(Cc2ccccc2)cc1 1314 ZBJBRUSGEJORQL-UHFFFAOYSA-N 227.263 2.735 0 50 BFAA in-man O=c1cc(-c2ccccn2)c2ccc(O)cc2o1 153922 WJXWVAVFUWNSBN-UHFFFAOYSA-N 239.230 2.561 0 50 BFAA CCOC(=O)c1c(C(C)=O)c(C)n(C2CC2)c1C 161945 KUMRNXGGFLRUIV-UHFFFAOYSA-N 249.310 2.819 0 50 BFAA Cc1c(CC(=O)O)sc2ccccc12 162025 MFVMWBIORCNCNB-UHFFFAOYSA-N 206.266 2.837 0 50 BFAA CCn1c(-c2ccccc2)n[nH]c1=S 177784 TWQMMYPNEWSRLM-UHFFFAOYSA-N 205.286 2.628 0 50 BFAA CC(=O)Nc1[nH]c(-c2ccccc2)cc1C(C)=O 193134 KRDWQHYQKKEUNR-UHFFFAOYSA-N 242.278 2.843 0 50 BFAA CC(C)C1OC(C(C)C)OC(C(C)C)O1 343750 XYIANCZIPATGDH-UHFFFAOYSA-N 216.321 2.996 0 50 BFAA Cc1ccc(C(=O)Nc2cccc(C)n2)cc1 407569 KKJDKPDTFKUTOX-UHFFFAOYSA-N 226.279 2.951 0 50 BFAA CSc1ccc(CNC[C@@H]2CCCO2)cc1 810258 CVGIGSXTCWYPOL-LBPRGKRZSA-N 237.368 2.677 0 50 BFAA c1ccc([C@H]2CNCCc3ccccc32)cc1 1204908 MEXPXLPUVFBQGJ-MRXNPFEDSA-N 223.319 2.964 0 50 BFAA in-vitro Cc1[nH]c2ccccc2c1SCCN 2455185 OPGILXBGYTVCII-UHFFFAOYSA-N 206.314 2.527 0 50 BFAA in-vitro CCc1c(Cl)cc(N)c(O)c1Cl 2562569 QMRQXLFENCRBNZ-UHFFFAOYSA-N 206.072 2.844 0 50 BFAA CCCNC(=S)Nc1cccc(C)c1C 2784049 YPVIXGMKUIKTSQ-UHFFFAOYSA-N 222.357 3.000 0 50 BFAA Brc1ccc([C@H]2CCCN2)s1 3732471 NYYCGPJXVQUCIE-ZCFIWIBFSA-N 232.146 2.935 0 50 BFAA in-vitro CCC(CC)NCc1ccccc1OC 4309378 MNHYMJKHEOBWAB-UHFFFAOYSA-N 207.317 2.973 0 50 BFAA CCc1nnc2sc(-c3cccc(F)c3)nn12 4487459 QMRRXKPHVJHSAZ-UHFFFAOYSA-N 248.286 2.554 0 50 BFAA CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)OC 4654657 GEWDNTWNSAZUDX-WQMVXFAESA-N 224.300 2.501 0 50 BFAA endogenous,in-man Cn1ccc2c(Br)cccc21 12370308 JZOSXTYDJPHXQD-UHFFFAOYSA-N 210.074 2.941 0 50 BFAA in-vitro CCN(CC)CCN(C)Cc1ccc(C)cc1 19635938 SFHFNGNNRSLIAN-UHFFFAOYSA-N 234.387 2.769 0 50 BFAA COC(=O)c1ccc(Br)cc1C 26894744 CYEXEOXALMJXDI-UHFFFAOYSA-N 229.073 2.544 0 50 BFAA O=C(O)CCc1cc(F)ccc1Br 35688530 CBKSPBGBNLIACD-UHFFFAOYSA-N 247.063 2.605 0 50 BFAA in-vitro COC(=O)c1cc(F)c(F)c(Cl)c1F 47202282 MKOVSUSDISTLPH-UHFFFAOYSA-N 224.565 2.544 0 50 BFAA OCc1ccc(OC(F)(F)F)cc1Cl 98096581 YWLMKHWUAXCYKJ-UHFFFAOYSA-N 226.581 2.731 0 50 BFAA in-vitro C[C@H](N)[C@H]1C[C@H]1c1ccc(Br)cc1 249702749 ZDRRHNMZTLAZCG-XROYCOCOSA-N 240.144 2.900 0 50 BFAA C[C@@H](CCNC[C@H]1CCCC[C@H]1C)[S@](C)=O 253369290 AQZKKLMLDCRYCP-IATRGZMQSA-N 245.432 2.559 0 50 BFAA CC(C)[C@@H](F)C(=O)Nc1ccsc1 307168221 ULOFJMWBVXXTPY-MRVPVSSYSA-N 201.266 2.681 0 50 BFAA C[C@H](C[C@@H]1CCOC1)NCc1ccccc1 307442700 AYWRSPGLDZQFJH-OCCSQVGLSA-N 219.328 2.591 0 50 BFAA CC(=O)c1ccc(C(F)(F)F)cc1C=O 1875389959 XNMQHFISLPHRBH-UHFFFAOYSA-N 216.158 2.721 0 50 BFAA O=C(O)/C=C/c1ccc(C(F)(F)F)cc1 56575 ANRMAUMHJREENI-ZZXKWVIFSA-N 216.158 2.803 0 50 BFAA in-vitro CC(=O)c1cn(C(C)=O)c2ccccc12 142409 STUZJORZRZCLRI-UHFFFAOYSA-N 201.225 2.504 0 50 BFAA in-vitro O=C(CN1CCCC1)c1ccc(Cl)cc1 340663 BNOJBLXRSAKZQL-UHFFFAOYSA-N 223.703 2.619 0 50 BFAA CCCCOC(OCCCC)C(C)=O 1605936 HCSCGYDLFNSHLE-UHFFFAOYSA-N 202.294 2.535 0 50 BFAA Clc1ccccc1OCC1CCNCC1 12137839 YEDQERJRGLCJKY-UHFFFAOYSA-N 225.719 2.718 0 50 BFAA in-vitro C[C@H](CCN1CCC[C@@H](CO)C1)c1ccccc1 23281986 UZWDCTRSDGYWLJ-HUUCEWRRSA-N 247.382 2.885 0 50 BFAA O=C(O)C1=C[C@@H](Cc2ccccc2)CC1 43214803 JPESXFHTYQWFFC-LLVKDONJSA-N 202.253 2.650 0 50 BFAA Clc1ccc(Cl)c(N2CCCNCC2)c1 43461282 GRZOFXBVXAVHNN-UHFFFAOYSA-N 245.153 2.793 0 50 BFAA Cc1cc(Nc2c(C)cccc2C)nc(N)n1 72437909 JYXILHXBJBTSGZ-UHFFFAOYSA-N 228.299 2.728 0 50 BFAA CCOc1cc(C=O)cc(OCC)c1Cl 115283690 CVGUZCQQVNVWQO-UHFFFAOYSA-N 228.675 2.950 0 50 BFAA Clc1ccc(Cn2ccnn2)c(Cl)c1 128048466 HOWNPBQQFZRREB-UHFFFAOYSA-N 228.082 2.633 0 50 BFAA CC(C)(C)OC(=O)N1CCCC2(CC2)C1 143283613 PKJFWXWWTQTWEG-UHFFFAOYSA-N 211.305 2.798 0 50 BFAA CC1=CCC[C@@]1(C(=O)O)c1ccccc1 217807746 MLSYOTFEBOIWHY-ZDUSSCGKSA-N 202.253 2.749 0 50 BFAA biogenic OCc1ccc(Br)c(Cl)c1F 236523126 JTFPQRGHKZBNFG-UHFFFAOYSA-N 239.471 2.734 0 50 BFAA O=C(O)C[C@H](c1ccc(F)cc1)C(F)F 258964013 UAIYRNHAPYOWAJ-MRVPVSSYSA-N 218.174 2.649 0 50 BFAA COC(=O)c1cc2c(F)cc(Cl)cc2[nH]1 260985251 OIWYOBRXXVWSBJ-UHFFFAOYSA-N 227.622 2.747 0 50 BFAA CCn1cc(-c2ccc3c(c2)OCO3)c(C)n1 426571538 BBIREGQMBWCVOZ-UHFFFAOYSA-N 230.267 2.607 0 50 BFAA Fc1cccc(CN2CCC[C@H]2c2cn[nH]c2)c1 583652074 ZHLJHDOLKLAEER-AWEZNQCLSA-N 245.301 2.886 0 50 BFAA CCc1ccc(CN(C)CC2(C)COC2)s1 628423377 QCUNBCHKUCRLGO-UHFFFAOYSA-N 239.384 2.779 0 50 BFAA COc1cccc(OC)c1-c1ncnc(C)c1C 1239669564 NGECSYCSVLSQLI-UHFFFAOYSA-N 244.294 2.778 0 50 BFAA C=CC(=O)N[C@@](C)(Cc1ccccc1)C1CC1 1335287016 HOGHBSLOWOXZME-HNNXBMFYSA-N 229.323 2.700 0 50 BFAA COc1cccc(C)c1C(=O)NC1(C)CCC1 1506418649 URDIYTJTKXQXLJ-UHFFFAOYSA-N 233.311 2.676 0 50 BFAA Cc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1 1593169 PTARVWLPQZIRCW-UHFFFAOYSA-N 248.303 2.533 0 50 BFAA COC(=O)CC(=O)c1cccc2ccccc12 2574183 XCZRXPQKBYZZEY-UHFFFAOYSA-N 228.247 2.586 0 50 BFAA C[C@H]1CCC[C@@H](N(C)C2CCN(C)CC2)C1 4022668 JOJOOBJTCMOJGP-GXTWGEPZSA-N 224.392 2.591 0 50 BFAA CCc1ccc(C(=O)Nc2cc(C)on2)s1 13744258 XVISBYVKAUICHZ-UHFFFAOYSA-N 236.296 2.859 0 50 BFAA C[C@H]1CN(C(=O)CCC2CCCC2)C[C@@H](C)O1 16603372 HDNKGZNBHFWRBK-TXEJJXNPSA-N 239.359 2.593 0 50 BFAA Cc1nc(C(=O)Nc2ccc(F)cc2F)co1 22538163 JQXWUXNDDFZUHZ-UHFFFAOYSA-N 238.193 2.514 0 50 BFAA CC(=O)c1cc(Br)ccc1F 31893423 XNRQIHIOKXQSPG-UHFFFAOYSA-N 217.037 2.791 0 50 BFAA in-vitro c1ccc2c(c1)OCC[C@H]2N1CCCC1 96027108 SFGGMQKXDPHFTE-GFCCVEGCSA-N 203.285 2.606 0 50 BFAA Cc1ccc(C)c(-c2nc([C@@H]3CCOC3)no2)c1 96162417 UYQKERXORMFIAN-LLVKDONJSA-N 244.294 2.857 0 50 BFAA C[C@H](NC(=O)c1ccco1)[C@@H]1C[C@H]2CC[C@H]1C2 101752512 TWAOWPQGQVRSDB-BJDJZHNGSA-N 233.311 2.834 0 50 BFAA c1ccc2[nH]c(-c3cnn4ccccc34)nc2c1 178959923 SAWZUHAANSWAFA-UHFFFAOYSA-N 234.262 2.878 0 50 BFAA CS[C@@H]1CC[C@@H](Nc2nc(C)cnc2C)C1 195563868 PVYSCYILDKTKRE-GHMZBOCLSA-N 237.372 2.789 0 50 BFAA CC(C)n1cncc1-c1cccc(N)c1 221506650 CGHHPWZJXFZUPJ-UHFFFAOYSA-N 201.273 2.713 0 50 BFAA CCc1cnc(SCC2(O)CCCCC2)[nH]1 585132941 IIACMNYOEPJJFI-UHFFFAOYSA-N 240.372 2.759 0 50 BFAA Cc1cccc(OC2CN([C@H]3CCSC3)C2)c1 670453910 VKQJEALSXHCDNC-LBPRGKRZSA-N 249.379 2.564 0 50 BFAA C=CC(=O)N1CCC[C@@H]1c1ccc(C)s1 952888236 PDUIDFUYEFLFQZ-SNVBAGLBSA-N 221.325 2.906 0 50 BFAA Cc1ocnc1C(=O)Nc1cccnc1C1CC1 1333567369 DGRHIUYZFFDEMY-UHFFFAOYSA-N 243.266 2.508 0 50 BFAA C=CC(=O)Nc1cccc(OC(C)C)c1 1336682551 VRQJZAJRFIBQLW-UHFFFAOYSA-N 205.257 2.598 0 50 BFAA Cc1cc(C(F)(F)F)cc(CC(=O)O)c1F 1857783663 LHWQZJDNYMXRFW-UHFFFAOYSA-N 236.164 2.780 0 50 BFAA Cc1ccc(C(C)C)c(OCC(=O)O)c1 38390 MURZAHIYMVFXCF-UHFFFAOYSA-N 208.257 2.582 0 50 BFAA in-vitro CCCc1cc2c3c(c(=O)oc2cc1O)CCC3 123031 GHJWXFGKLYOTDZ-UHFFFAOYSA-N 244.290 2.940 0 50 BFAA biogenic CCOC(=O)c1c(N)sc2c1[C@@H](C)CCC2 149863 HRPRBNMOLCLEDL-ZETCQYMHSA-N 239.340 2.947 0 50 BFAA Cc1ccc(C)c(NC(=O)CCN2CCCC2)c1 255198 MCCHJGFYUXQIMW-UHFFFAOYSA-N 246.354 2.728 0 50 BFAA CCOC(=O)Nc1nnc(-c2ccccc2)s1 296982 YNUBLGKVULYHIV-UHFFFAOYSA-N 249.295 2.774 0 50 BFAA CCOc1ccc([C@@H](C)N)cc1OCC 305214 OXUSXEBIIDKQFW-SECBINFHSA-N 209.289 2.504 0 50 BFAA in-vitro CCOC(=O)COc1cccc2ccccc12 1396261 HFLLBKYQSRBNPN-UHFFFAOYSA-N 230.263 2.782 0 50 BFAA Brc1cccc(-c2cn[nH]c2)c1 1494965 NWJALWCDYPLISV-UHFFFAOYSA-N 223.073 2.839 0 50 BFAA in-vitro O=C(O)/C=C/c1cc(F)ccc1Br 2512347 AWWFJLNOEZAVHZ-DAFODLJHSA-N 245.047 2.686 0 50 BFAA in-vitro CCc1ccc(NC(=O)NC2CC2)cc1 6731504 RGDPLDSEYQOMNO-UHFFFAOYSA-N 204.273 2.533 0 50 BFAA Cc1ccc(NC(=O)c2c(C)noc2C)cc1F 7814844 VSMYYSBHYHWJAD-UHFFFAOYSA-N 248.257 2.991 0 50 BFAA Cc1ccc(O[C@H](C)C(=O)N2CCCC2)cc1C 8498674 OOWFFMDEZKWGFZ-CYBMUJFWSA-N 247.338 2.693 0 50 BFAA Cc1ccc(F)cc1NC(=O)C1CCC1 8848125 PPYORDBDZQVTHR-UHFFFAOYSA-N 207.248 2.873 0 50 BFAA Nc1nc2cc(Br)ccc2s1 12959084 ZPUJTWBWSOOMRP-UHFFFAOYSA-N 229.102 2.641 0 50 BFAA Cc1ccccc1CN1C[C@H](C)O[C@@H](C)C1 23114951 YBASFLNAHCRHIM-STQMWFEESA-N 219.328 2.604 0 50 BFAA Clc1cccc(C[C@@H]2CCCNC2)c1 38580682 SVWPVUICBWULGX-NSHDSACASA-N 209.720 2.882 0 50 BFAA CCOC(=O)c1cccc(Br)c1C 44608009 ISZDEZLLBGJTTF-UHFFFAOYSA-N 243.100 2.934 0 50 BFAA in-vitro Cc1ccc(C)c(-c2nccn2[C@H]2CCNC2)c1 72473396 NXOOGINMLAAUSW-ZDUSSCGKSA-N 241.338 2.701 0 50 BFAA CC(C)(C)CCc1nc([C@@H]2CCOC2)no1 96141402 JSZYHQHFSOZTLE-SECBINFHSA-N 224.304 2.552 0 50 BFAA O=C(Cc1cccs1)N[C@H]1C[C@H]2CC[C@H]1C2 107042005 ZBVDVQBTTJYKPL-NHCYSSNCSA-N 235.352 2.595 0 50 BFAA O=C(O)c1ccc(Sc2ccccc2)cn1 122761299 HYZDZIARTNYJRF-UHFFFAOYSA-N 231.276 2.931 0 50 BFAA COC[C@@H](N[C@@H](C)c1ncc(C)s1)C(C)C 125269920 LYUGXSMQECLTEF-WDEREUQCSA-N 242.388 2.773 0 50 BFAA COCCCN(C)Cc1cccc2cnccc12 183193614 QKRYJYSCFHACEX-UHFFFAOYSA-N 244.338 2.703 0 50 BFAA CCCNC(=O)NCC1CCC(F)(F)CC1 240668560 HNKORCLVLHXHJD-UHFFFAOYSA-N 234.290 2.521 0 50 BFAA C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1C[C@H]2C=C[C@H]1C2 244149481 UUBCBMUPTSMOGL-QMVSFRDZSA-N 233.355 2.894 0 50 BFAA O=C(c1ccco1)N1CCCC[C@@H]1C(F)F 334803391 MVRXVTJNEPSVRI-MRVPVSSYSA-N 229.226 2.539 0 50 BFAA O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N1CCC[C@H]2C[C@H]21 585082198 ATHTXIQPWDKBEV-HTVCTNPSSA-N 233.355 2.824 0 50 BFAA CN(C)c1ncccc1-c1ccc2c(c1)CCO2 1239806056 QCMRNZWGNHWCRR-UHFFFAOYSA-N 240.306 2.750 0 50 BFAA CC(C)(Oc1ccc(Cl)cc1)C(=O)O 1187 TXCGAZHTZHNUAI-UHFFFAOYSA-N 214.648 2.582 0 50 BFAA biogenic,world Oc1ccc(-c2nc3ccccc3[nH]2)cc1 38453 REOGMBVECOGANJ-UHFFFAOYSA-N 210.236 2.936 0 50 BFAA in-vitro O=C(Nc1ccsc1C(=O)O)c1ccccc1 169641 AEBWJNJRYSGZCZ-UHFFFAOYSA-N 247.275 2.699 0 50 BFAA Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)O 1577691 FOYXJMABOXFXKS-UHFFFAOYSA-N 217.268 2.720 0 50 BFAA in-vitro CCOC(=O)[C@H](C/C=C/c1ccccc1)C(C)=O 1702398 CWQNCOQPLICNMH-DNGMOHDESA-N 246.306 2.858 0 50 BFAA CCCCNC(=O)N(C)c1ccccc1 2166577 SKJLCJVEUHEWAW-UHFFFAOYSA-N 206.289 2.633 0 50 BFAA FC1(F)Oc2ccc(Br)cc2O1 2560117 SZRHWHHXVXSGMT-UHFFFAOYSA-N 236.999 2.771 0 50 BFAA biogenic,in-vitro CNCCCOc1cccc2ccccc12 2845325 ZLTWNSXILLAQPT-UHFFFAOYSA-N 215.296 2.828 0 50 BFAA CCC[C@@H](NCC)C(=O)c1ccccc1 3631209 QQAHEGDXEXIQPR-GFCCVEGCSA-N 205.301 2.648 0 50 BFAA biogenic,in-vitro C[C@@H]1CC[C@@H](N(C)C[C@H](O)c2ccccc2)C1 3681029 FEKLTCGMTHGFNP-YUELXQCFSA-N 233.355 2.840 0 50 BFAA CC[n+]1ccccc1/C=C\c1ccc(O)cc1 4531898 XJEYJUGDHHMEKL-UHFFFAOYSA-O 226.299 2.870 0 50 BFAA Oc1cc(Cl)c(-c2ccccc2)nn1 8681121 ZIBQCQDAFOPHBJ-UHFFFAOYSA-N 206.632 2.503 0 50 BFAA in-vitro Cc1ccc([C@@H](N)c2cccnc2)cc1C 11737293 DINRZSVVJYLCDX-CQSZACIVSA-N 212.296 2.747 0 50 BFAA in-vitro Cc1nc2[nH]ccc2cc1Br 16678026 LIWNOYGPTTTZOS-UHFFFAOYSA-N 211.062 2.634 0 50 BFAA in-vitro Cc1ccc(-c2ccc(C(=O)O)nc2)cc1 41226828 PYNSPFQIGYWYOJ-UHFFFAOYSA-N 213.236 2.755 0 50 BFAA in-vitro CC(C)(C)C(=O)O[C@@H]1C(=O)CC[C@H]2[C@@H]1C2(C)C 43763570 LMTBILDNMJSHOU-INTQDDNPSA-N 238.327 2.579 0 50 BFAA CCC(=O)NCCCc1ccc(Cl)cc1 69348352 HBZSSZJRFDQMFN-UHFFFAOYSA-N 225.719 2.799 0 50 BFAA C[C@@H]1COc2cccc(Br)c2OC1 74937853 SVQYBLHUCPEMDG-SSDOTTSWSA-N 243.100 2.856 0 50 BFAA in-vitro COC(=O)c1ccc2ncn(C3CCCC3)c2c1 95495611 MQSPJBPQCDQMKZ-UHFFFAOYSA-N 244.294 2.938 0 50 BFAA CC(C)NC[C@@H](C(=O)O)c1ccc(Cl)cc1 95704830 FICHVKVITNUZFD-LLVKDONJSA-N 241.718 2.506 0 50 BFAA CCP(CC)c1ccc(N(C)C)cc1 95908845 FMNOWZMFKYVARU-UHFFFAOYSA-N 209.273 2.900 0 50 BFAA Cn1cncc1-c1cccc(Br)c1 95911072 ZBKTVJWYHULGAW-UHFFFAOYSA-N 237.100 2.850 0 50 BFAA in-vitro O=Cc1nn(Cc2ccccc2)c2ccccc12 97756645 QFBGYIRPJDSBJM-UHFFFAOYSA-N 236.274 2.897 0 50 BFAA C[Si](C)(C)c1cccc([Si](C)(C)C)c1F 169816116 HCKIFFBGPMDSQZ-UHFFFAOYSA-N 240.470 2.916 0 50 BFAA CC[C@H](C)NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 225229305 JZPGDRPIZJGHAT-BJDJZHNGSA-N 209.333 2.727 0 50 BFAA OC[C@@H]1CCC[C@H]1N[C@H](c1ccccc1)C1CC1 230222719 NPMNSDBGGAEZJK-ARFHVFGLSA-N 245.366 2.888 0 50 BFAA Fc1cccc2[nH]cc([C@@H]3CCOC3)c12 255190517 XSXDDLGCIRWTPJ-MRVPVSSYSA-N 205.232 2.811 0 50 BFAA COC(=O)c1c[nH]c2cc(Cl)c(OC)cc12 261053656 PEMUIROXWOIMKO-UHFFFAOYSA-N 239.658 2.617 0 50 BFAA COc1ccccc1Cn1ncc(Cl)c1C 338156921 TZXGCRINTASDDI-UHFFFAOYSA-N 236.702 2.902 0 50 BFAA O=C(Cc1ccccc1)Nc1ccc(Cl)cn1 170942 OOXZLDZAMPUCPU-UHFFFAOYSA-N 246.697 2.916 0 50 BFAA CCOc1ccccc1CNCc1ccco1 299704 CTXDDINRILVKNW-UHFFFAOYSA-N 231.295 2.968 0 50 BFAA in-vitro CCOc1ccc(CNCc2ccco2)cc1 299707 FOMMAQICXGVACL-UHFFFAOYSA-N 231.295 2.968 0 50 BFAA in-vitro O=[S@]1Oc2ccccc2-c2ccccc21 334889 IYBLGEVIWORXGN-OAHLLOKOSA-N 216.261 2.769 0 50 BFAA O=Cc1cn(-c2ccccc2)nc1-c1ccncc1 446146 RPXJROJLJRFFOF-UHFFFAOYSA-N 249.273 2.747 0 50 BFAA Cc1cccc(C(=O)Nc2ccccc2CO)c1 446313 IBMAYUUOJQRNHV-UHFFFAOYSA-N 241.290 2.740 0 50 BFAA Cc1cc(C(=O)O)cc(C(F)(F)F)c1 2382291 QJSRENHDYMAJIL-UHFFFAOYSA-N 204.147 2.712 0 50 BFAA in-vitro CCOc1cccc(OCC)c1C(C)=O 2526532 JSHQXPUUAGGTDX-UHFFFAOYSA-N 208.257 2.687 0 50 BFAA Nc1ccc2ccccc2c1SCC(=O)O 5280476 SVLQWUQXTYLDPE-UHFFFAOYSA-N 233.292 2.599 0 50 BFAA C[C@H](NC(=O)CCC1CCCC1)[C@@H]1CCCO1 6700187 SJULNWDEBXCCME-AAEUAGOBSA-N 239.359 2.641 0 50 BFAA Cc1csc(NC(=O)Cc2ccccc2C)n1 6725892 JOBZHRGUNRVZQV-UHFFFAOYSA-N 246.335 2.941 0 50 BFAA CCCCCn1nc(C)c2c(C)cc(=O)[nH]c21 8829013 UWZVXKHMRWPICM-UHFFFAOYSA-N 233.315 2.532 0 50 BFAA c1cncc(CNCc2cccc3[nH]ccc23)c1 14987980 RQKXFHJRRZKPEJ-UHFFFAOYSA-N 237.306 2.853 0 50 BFAA CC(C)(C)OC(=O)N1CCc2cccc(N)c2C1 44137604 RKPGKOBRVFHMLX-UHFFFAOYSA-N 248.326 2.562 0 50 BFAA C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)C 45288749 SRKTYHHXTRLRLY-LLVKDONJSA-N 249.354 2.840 0 50 BFAA Cc1ccc(C(=O)Nc2ccc(F)nc2)s1 135107170 MQZRONWRMQEVGO-UHFFFAOYSA-N 236.271 2.843 0 50 BFAA COC(=O)c1cc2c(C)c(C)[nH]c2s1 200775337 WQZOOADPRPAIMP-UHFFFAOYSA-N 209.270 2.633 0 50 BFAA in-vitro Cc1ccc(C)c(NC(=O)C(C)(C)C)n1 214470432 JEEUXDSIBQARBY-UHFFFAOYSA-N 206.289 2.683 0 50 BFAA FC(F)c1cnc(N[C@H]2C[C@@H]3C[C@@H]3C2)nc1 335179583 WEINVEJCCRFZJW-SRSLHRDFSA-N 225.242 2.625 0 50 BFAA C[C@@H](NC1CCC1)c1nc2c(s1)CCC2 335607885 LEYYQJPXFLFHKN-MRVPVSSYSA-N 222.357 2.835 0 50 BFAA CCOC(=O)/C=C1/C[C@H]2C[C@H]1[C@H]1CCC[C@H]12 757190499 KNNNXRZJFQEFHJ-YTDQEDMQSA-N 220.312 2.932 0 50 BFAA CCCCC1(C(=O)N[C@H](C)c2ccnn2C)CC1 828582150 UMQBNANAOVTIBP-LLVKDONJSA-N 249.358 2.568 0 50 BFAA C=CC(=O)NCC(C)(C)c1ccc(Cl)cc1 1335283531 IJLVQFWQEGMASE-UHFFFAOYSA-N 237.730 2.920 0 50 BFAA C=CC(=O)Nc1ccc(F)c(C(F)F)c1 1356523728 ZOZTWGRSLJRESU-UHFFFAOYSA-N 215.174 2.888 0 50 BFAA C[C@@H]1C[C@@H]1CC(=O)Nc1ccc(Cl)nc1 1875259925 STKIKXLIUNTXBF-HTQZYQBOSA-N 224.691 2.720 0 50 BFAA O=C(Nc1cccc(Cl)c1)c1cccnc1 29652 XQPPPWLPXGVYAJ-UHFFFAOYSA-N 232.670 2.987 0 50 BFAA CCOc1c(Cl)cc(C=O)cc1OC 284188 RPBVYQARIAYXAD-UHFFFAOYSA-N 214.648 2.560 0 50 BFAA in-vitro Cc1nc(NC(=O)c2ccco2)sc1C 461618 YXSPYOXCRLTTIW-UHFFFAOYSA-N 222.269 2.605 0 50 BFAA Cc1csc(NC(=O)c2ccoc2C)n1 476731 OGQPXXQSTQREPA-UHFFFAOYSA-N 222.269 2.605 0 50 BFAA Cc1ccc(C)c(C(=O)NC(C)(C)C)c1 514726 ZIRFIVHCFGYUQX-UHFFFAOYSA-N 205.301 2.832 0 50 BFAA Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCO2)cc1C 1054530 CAXVXLIMLXPGLH-OCCSQVGLSA-N 247.338 2.660 0 50 BFAA Nc1ccc(OC(F)(F)F)cc1Cl 2382405 YMLWONHDNGICOH-UHFFFAOYSA-N 211.570 2.821 0 50 BFAA in-vitro CC(C)(C)OC(=O)Nc1cc(N)ccc1F 2599340 FIRABEKBYKPYIS-UHFFFAOYSA-N 226.251 2.755 0 50 BFAA in-vitro O[C@]12CCCC[C@@H]1[C@@H](c1ccc(F)cc1)NCC2 4012281 DQJVTBCKCFMOEZ-KFWWJZLASA-N 249.329 2.781 0 50 BFAA CN1CCC(Nc2ccc(Cl)cc2)CC1 4612713 VTAXYNRMXBENDI-UHFFFAOYSA-N 224.735 2.846 0 50 BFAA in-vitro CCOc1ccc2ccccc2c1CNC 4657520 ZFZPARRGLBBDII-UHFFFAOYSA-N 215.296 2.958 0 50 BFAA C[S@](=O)c1cc(Cl)cc(Cl)c1 6068481 XLMGZUCROJQLQK-LLVKDONJSA-N 209.097 2.731 0 50 BFAA CN1CCN(Cc2cccc3ccccc23)CC1 19537610 QSJSECFFIRGPKI-UHFFFAOYSA-N 240.350 2.587 0 50 BFAA O=[N+]([O-])/C=C\c1c(F)c(F)c(F)c(F)c1F 33437441 LBBACRWAXVCTNR-UPHRSURJSA-N 239.099 2.630 0 50 BFAA OCc1c[nH]c(-c2cccc(C(F)(F)F)c2)n1 62820469 MRDDTEMXEDQQLD-UHFFFAOYSA-N 242.200 2.588 0 50 BFAA CC(C)(C)OC(=O)Nc1cccc(CCN)c1 95635087 XANDGNGDUKBWOM-UHFFFAOYSA-N 236.315 2.535 0 50 BFAA CO[C@H]1C(Br)=C[C@H]2[C@H]3C=C[C@@H](C3)[C@H]21 101142544 KGGLAJNQSFOHCY-ASJMHXKMSA-N 241.128 2.732 0 50 BFAA C[C@@H]1CC[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2C1 101706301 KXMYNLHMKBLLLU-RAIGVLPGSA-N 243.306 2.612 0 50 BFAA Cn1cncc1CN1CCC[C@H]1c1cccs1 177232454 KRCIBLQTZUQWCB-LBPRGKRZSA-N 247.367 2.819 0 50 BFAA C[C@@H]1C[C@@H](C)CN([C@H](C)c2nc(C3CC3)no2)C1 195660985 SRDITENRFDOUDC-GMTAPVOTSA-N 249.358 2.986 0 50 BFAA CC[B-]1(CC)N2C=CC=CC2=Nc2cccc[n+]21 195812569 SWANQNSUIVNUHE-UHFFFAOYSA-N 239.131 2.733 0 50 BFAA Cc1cnc([C@@H](C)N2CCC[C@](C)(F)C2)o1 336275368 IZUBONNENREMDT-PWSUYJOCSA-N 226.295 2.868 0 50 BFAA O=C(O)[C@@H]1C[C@H]1c1ccc(Br)cc1 215403 DPBUJVBXRABXRH-DTWKUNHWSA-N 241.084 2.637 0 50 BFAA O=C(CCC1CCCC1)NCc1cccnc1 433885 OLNVJWYPCGLCQH-UHFFFAOYSA-N 232.327 2.668 0 50 BFAA Cc1cnc(NC(=O)c2ccc(F)cc2)s1 2765375 DOZNSNKOGCGIND-UHFFFAOYSA-N 236.271 2.843 0 50 BFAA COc1ccc(Cl)cc1NC(=O)NC1CC1 6741208 RTETVLJYMZJQLV-UHFFFAOYSA-N 240.690 2.633 0 50 BFAA Brc1cccc(Cn2ccnc2)c1 12370275 BGYZLOIBJCHCTI-UHFFFAOYSA-N 237.100 2.694 0 50 BFAA in-vivo C[C@@H](O)c1ccc(F)c(Br)c1 12506518 TWIOVUXOLMANJU-RXMQYKEDSA-N 219.053 2.642 0 50 BFAA in-vitro CCCC(=O)Nc1ccc2c(c1)CCC2 13326474 VQIPGCXDFKLCKE-UHFFFAOYSA-N 203.285 2.914 0 50 BFAA Cc1cccc(C(=O)Oc2ccccc2)c1O 33506628 YEBPMWUBZDANBU-UHFFFAOYSA-N 228.247 2.920 0 50 BFAA CC(C)N(CCOc1ccc(C=O)cc1)C(C)C 34368382 HCYAUSQBHNGXHE-UHFFFAOYSA-N 249.354 2.997 0 50 BFAA Clc1ccc([C@@H]2CNCCO2)cc1Cl 37405148 DGBGARGNACEMSA-JTQLQIEISA-N 232.110 2.654 0 50 BFAA CCOC(=O)CCCC[C@H]1C=CC(=O)CC1 45071665 UDVXXKZTSBGMEF-NSHDSACASA-N 224.300 2.645 0 50 BFAA C[C@H]1COc2ccc(Br)cc2N1 62529566 DAMUKFVLKNTFNK-LURJTMIESA-N 228.089 2.642 0 50 BFAA in-vitro Cc1cc(F)c(C=O)c(Br)c1 90413203 DQSGYGLIKSWXKJ-UHFFFAOYSA-N 217.037 2.709 0 50 BFAA in-vitro CCCCOc1ncc(Cl)cc1O 113666699 TZWZKIVKJYEDKW-UHFFFAOYSA-N 201.653 2.620 0 50 BFAA CCc1cc2nc(Cl)cc(Cl)n2n1 134758663 GAXQAJJHZVZJGO-UHFFFAOYSA-N 216.071 2.599 0 50 BFAA O=C1CCCC[C@@H]1C(=O)C1CCCCC1 219859987 NKYINBIJTKYRJI-NSHDSACASA-N 208.301 2.895 0 50 BFAA Clc1ccc2c(c1)sc1nncn12 225857448 HBTRVOWZNDAHAF-UHFFFAOYSA-N 209.661 2.597 0 50 BFAA Cn1ccc2c(Cl)cc(Cl)nc21 238550975 LBBCLGYLHXLHAN-UHFFFAOYSA-N 201.056 2.880 0 50 BFAA Oc1cc(Br)c(C(F)(F)F)cn1 238726949 SDZLGVPGAFSPAM-UHFFFAOYSA-N 241.994 2.569 0 50 BFAA C1C[C@H]2C[C@@H](NC3CCC4(CC3)CC4)CCN2C1 335779394 SPVYLTYLPAOITA-GJZGRUSLSA-N 248.414 2.926 0 50 BFAA C=CC(=O)N[C@H]1C[C@@H]2CCCCC[C@@H]2C1 1775997750 KXHJYOIWBHLXMA-ZSBIGDGJSA-N 207.317 2.648 0 50 BFAA c1cc(-c2nccn2C[C@H]2CCCCO2)ccn1 1875241497 DSCBAUJYIPSKRQ-CYBMUJFWSA-N 243.310 2.514 0 50 BFAA CC1(C)CC(NCc2ccco2)CC(C)(C)N1 91494 MLCJEYPZOBAFBT-UHFFFAOYSA-N 236.359 2.678 0 50 BFAA O=C(O)/C=C/c1ccc(OC(F)(F)F)cc1 153704 RNYVTJANWYBGPW-ZZXKWVIFSA-N 232.157 2.683 0 50 BFAA in-vitro NNc1ccc(Oc2ccccc2)cc1 153972 LGRURSNANBXOMS-UHFFFAOYSA-N 200.241 2.765 0 50 BFAA in-vitro Cc1ccc(-c2nc3sccn3c2CO)cc1 168831 WYWLCPJDSLGCMM-UHFFFAOYSA-N 244.319 2.864 0 50 BFAA COC(=O)Cc1cccc2ccccc12 388083 YGGXZTQSGNFKPJ-UHFFFAOYSA-N 200.237 2.555 0 50 BFAA biogenic,in-vitro Cc1occc1C(=O)NCc1cccs1 473380 LRORMQGPIKXOHF-UHFFFAOYSA-N 221.281 2.580 0 50 BFAA O=C(Oc1cccnc1)c1cccc(Cl)c1 541235 DKJMMRRCBINSFH-UHFFFAOYSA-N 233.654 2.954 0 50 BFAA CCN1CCC(NC[C@H](C)c2ccccc2)CC1 757072 TVWYWFMGRXMJJB-AWEZNQCLSA-N 246.398 2.864 0 50 BFAA C[C@@H]1C[C@@H](C)CN(C(=O)CC(C)(C)C)C1 1456517 FOOJLMYCTOSUCR-GHMZBOCLSA-N 211.349 2.927 0 50 BFAA O=C(O)c1cc2ccc(C(F)(F)F)cc2[nH]1 2582707 CDWGDLKZKCYUFO-UHFFFAOYSA-N 229.157 2.885 0 50 BFAA in-vitro Cc1ccc(C[C@]2(O)C[C@H](C)N(C)C[C@@H]2C)cc1 4016380 PPFGJYUAWQBXHF-OFQRWUPVSA-N 247.382 2.629 0 50 BFAA CCCNC(=O)c1ccc(OCCC)cc1 6324110 MDGUZKWSSBKHTA-UHFFFAOYSA-N 221.300 2.615 0 50 BFAA O=C(O)COCCC12CC3CC(CC(C3)C1)C2 12343418 QDOOMRKQZJGOIJ-UHFFFAOYSA-N 238.327 2.694 0 50 BFAA Fc1ccccc1-n1cc(Br)cn1 16159027 OHWIDXFFPCMKLX-UHFFFAOYSA-N 241.063 2.774 0 50 BFAA in-vitro CC(C)(N)c1ccc(Br)cc1 19673395 IQKKTIWXHJDLFL-UHFFFAOYSA-N 214.106 2.643 0 50 BFAA in-vitro CCCc1cc(=O)c2cccc(C)c2[nH]1 32099908 LBIWAWKGQRGEIB-UHFFFAOYSA-N 201.269 2.789 0 50 BFAA in-vitro Cc1cc(C)c(C(N)=O)c(-c2ccsc2)n1 32519445 ZKMBCEOTZKOSNW-UHFFFAOYSA-N 232.308 2.526 0 50 BFAA CC(C)(O)c1cccc(Br)c1 34454338 ZRFMJMFYMQAUDO-UHFFFAOYSA-N 215.090 2.677 0 50 BFAA in-vitro COC(=O)c1cc(N)ccc1Oc1ccccc1 40450025 MHAZEXGQGPSXRT-UHFFFAOYSA-N 243.262 2.848 0 50 BFAA CCCOc1ccc(N)cc1Br 43597748 GREYEHSGVNQLTK-UHFFFAOYSA-N 230.105 2.820 0 50 BFAA Cc1cc(C(=O)O)cc(C)c1Br 71791864 OKEOADKQDIJJMU-UHFFFAOYSA-N 229.073 2.764 0 50 BFAA in-vitro CC(C)[S@](=O)c1cccc(Br)c1 74937757 LRQCRBOMTRAHLA-GFCCVEGCSA-N 247.157 2.965 0 50 BFAA in-vitro CCOc1cc(C=O)c(Br)cc1C 114355568 FUKUBLDYCHWDOM-UHFFFAOYSA-N 243.100 2.969 0 50 BFAA Clc1ccc(C2(N[C@@H]3CCOC3)CC2)cc1 134236555 UVSGFIMAJNNXTB-GFCCVEGCSA-N 237.730 2.708 0 50 BFAA COC1CCC(NCCc2cccs2)CC1 164233866 RRJKONMNGXBTRQ-UHFFFAOYSA-N 239.384 2.838 0 50 BFAA CC[C@H](NC(=O)[C@@H]1C[C@H]1C)c1ccccc1 245226463 YMQQSDJUYGKVDD-RTXFEEFZSA-N 217.312 2.910 0 50 BFAA Cc1ccc([C@@H]2CCC[C@@H]2N(C)CC(=O)O)cc1 262671203 RRXZMDYELSYBEX-KBPBESRZSA-N 247.338 2.648 0 50 BFAA C[C@@H]1CCC(=O)C[C@@H]1N1CCCC[C@H]1C 725360482 IXYCGRDDURXKED-WZRBSPASSA-N 209.333 2.619 0 50 BFAA Cc1nc(N)ccc1-c1ccc2c(c1)CC[C@H]2O 904768204 RLZHTVNVWJFPPE-CQSZACIVSA-N 240.306 2.619 0 50 BFAA C[C@@H](Cc1ccccc1F)NC[C@H]1CCCO1 214709 DUEQJUKVKXYDGZ-WCQYABFASA-N 237.318 2.525 0 50 BFAA CC(=O)OCCC1=CC[C@H]2C[C@@H]1C2(C)C 519934 AWNOGHRWORTNEI-RYUDHWBXSA-N 208.301 2.932 0 50 BFAA Cc1cc(=O)c2cc(Br)ccc2o1 2509866 PVHDLBFVSMGZAA-UHFFFAOYSA-N 239.068 2.864 0 50 BFAA CCCNC(=S)Nc1cccc(C)c1 2818031 RROCFCXTGRFAKK-UHFFFAOYSA-N 208.330 2.691 0 50 BFAA Fc1ccccc1-c1nc(-c2ccncc2)no1 4009040 GYURFHGLEAXOKT-UHFFFAOYSA-N 241.225 2.938 0 50 BFAA O=C(Cc1ccc(O)cc1)Nc1ccccc1 12648947 BUNREJDOLFXPMF-UHFFFAOYSA-N 227.263 2.573 0 50 BFAA in-vitro Fc1ccc(S)cc1Br 15442771 HXQRAQKAGXRFEM-UHFFFAOYSA-N 207.067 2.877 0 50 BFAA CCc1ccc(C(=O)NCc2cccnc2)s1 16604534 ZOKOLTAZAHNYKH-UHFFFAOYSA-N 246.335 2.636 0 50 BFAA O=C(O)c1cc(F)c(Cl)c(Cl)c1 36532747 IZIDLDWDRBWVGC-UHFFFAOYSA-N 209.003 2.831 0 50 BFAA O=C(O)c1sc2ncccc2c1Cl 39296328 UYYCHKKPKUVKIW-UHFFFAOYSA-N 213.645 2.648 0 50 BFAA in-vitro O=C(O)c1ccc(Oc2ccccc2F)o1 50907450 FRCKVOOIRXXICH-UHFFFAOYSA-N 222.171 2.909 0 50 BFAA CCNc1snc2cc(OC)c(OC)cc12 71773186 IAERQYNSYOQTJR-UHFFFAOYSA-N 238.312 2.745 0 50 BFAA COC(=O)Cc1cc(F)ccc1C(F)(F)F 97756820 HANPOULBLUTOBK-UHFFFAOYSA-N 236.164 2.560 0 50 BFAA O=C(NCCC1=CCCC1)Nc1ccc(F)cn1 123137849 USRZQMMMWUDBPF-UHFFFAOYSA-N 249.289 2.843 0 50 BFAA COc1ccc(/C=C(/C(=O)O)C(F)(F)F)cc1 169612756 IVZPNCBCUYGROS-TWGQIWQCSA-N 246.184 2.726 0 50 BFAA C[C@H](O)C[C@H](C)CNCc1sccc1Cl 193121127 VHSISFZTKYUBKI-IUCAKERBSA-N 247.791 2.898 0 50 BFAA CCC[C@H]1CN(Cc2ccccc2)C[C@@H]1N(C)C 212560877 FVNKZMNRJZASDG-HOTGVXAUSA-N 246.398 2.849 0 50 BFAA NC1(c2ccc(Br)c(F)c2)CC1 216659273 IDBSKBUJOCDBEZ-UHFFFAOYSA-N 230.080 2.536 0 50 BFAA CC(C)(C)OC(=O)Nc1cc(O)cnc1Cl 261493914 LWJHNZPFUPLCTA-UHFFFAOYSA-N 244.678 2.788 0 50 BFAA O=C(N[C@H]1CC12CC2)N1CCC[C@@H]1C1CCCC1 335131797 YIOYQPRGNRJTKX-OLZOCXBDSA-N 248.370 2.903 0 50 BFAA Cc1cc(-c2cn[nH]c2)nc(-c2ccccc2)n1 426513483 BNULEZMEHUSFCK-UHFFFAOYSA-N 236.278 2.842 0 50 BFAA CC(F)(F)COc1ccc(C=O)c(F)c1 585672111 ZXAVXYOUGKBIAC-UHFFFAOYSA-N 218.174 2.672 0 50 BFAA Cc1nonc1CN1CC[C@H](C2CCCCC2)C1 825302379 HGKBJHKQEGNUNV-ZDUSSCGKSA-N 249.358 2.780 0 50 BFAA Cc1ccc2c(c1)CN(Cc1cc(C)[nH]n1)C2 1875262732 FCINVHIJSLHDFC-UHFFFAOYSA-N 227.311 2.542 0 50 BFAA CCc1cc(O)ccc1-c1cnc2cnccn12 2356160997 BESFCIRBCVNXSK-UHFFFAOYSA-N 239.278 2.664 0 50 BFAA COC(=O)c1cc(Cl)ccc1Cl 119681 SPJQBGGHUDNAIC-UHFFFAOYSA-N 205.040 2.780 0 50 BFAA in-vitro O=C(O)c1ccccc1C(=O)Cc1ccccc1 1594157 NJXDTGLUPRKMFN-UHFFFAOYSA-N 240.258 2.810 0 50 BFAA CCCCC(=O)NCCc1ccc(OC)cc1 2114743 UHNCCEHCPKJOGW-UHFFFAOYSA-N 235.327 2.544 0 50 BFAA CC[C@@H]1CC1(Br)Br 3051610 QWHIOLSPEIYIOK-SCSAIBSYSA-N 227.927 2.902 0 50 BFAA CN1CCC[C@@H]1CCSc1ccc(O)cc1 3931586 NVZGJSVPOOILDI-LLVKDONJSA-N 237.368 2.969 0 50 BFAA in-vitro OC[C@H](c1ccccc1)c1ccccc1O 4824034 MKKQQHGJBDZKPX-CYBMUJFWSA-N 214.264 2.516 0 50 BFAA CC(=O)c1cnn(-c2ccccc2Cl)c1 13331530 MHYWAOIBAMAHGO-UHFFFAOYSA-N 220.659 2.728 0 50 BFAA in-vitro C[C@H]1CN(C/C=C/c2ccccc2)C[C@H](C)O1 23281932 MJSOKZQNFQUZPA-HXUSNMGPSA-N 231.339 2.809 0 50 BFAA NCCCc1ccc(Cl)c(Cl)c1 35321564 QDWHHNQJNXGPRJ-UHFFFAOYSA-N 204.100 2.885 0 50 BFAA in-vitro C1=CC2C3C=CC4C5C=CC6C1C2C(C65)C34 71785852 BDGDXZGHWJTCIG-UHFFFAOYSA-N 208.304 2.899 0 50 BFAA Cc1cccc(C(=O)OCCc2cccs2)n1 119763301 AHYMRTOUQWCGJP-UHFFFAOYSA-N 247.319 2.851 0 50 BFAA CN(Cc1cscn1)C[C@H]1CC=CCC1 120205586 YGKXMQLEVDVRQN-NSHDSACASA-N 222.357 2.931 0 50 BFAA Cc1ccc(C(=O)Nc2ccncc2F)c(F)c1 122869260 LXTWRTGZMAAURG-UHFFFAOYSA-N 248.232 2.921 0 50 BFAA COc1cc(Br)ncc1Cl 215987295 RCABZWNZVXSCDJ-UHFFFAOYSA-N 222.469 2.506 0 50 BFAA CC(=O)N1CCC[C@H]1C[C@H]1C[C@H]2CC[C@H]1C2 245382401 IYUBLALZUNSGLM-FQUUOJAGSA-N 221.344 2.824 0 50 BFAA COc1ccc(-c2ccnn2C(C)C)c(OC)n1 426575109 YMKRQULJWMTHNG-UHFFFAOYSA-N 247.298 2.543 0 50 BFAA CC[C@H](COC)n1cc(-c2ccccc2)nn1 2325772860 ZRVCICSBAAZGPT-GFCCVEGCSA-N 231.299 2.543 0 50 BFAA CCc1ccccc1NC(=O)c1ccncc1 290762 DEWLCICBHFMNOZ-UHFFFAOYSA-N 226.279 2.896 0 50 BFAA COc1ccccc1OCCCN1CCCCC1 2497241 MXICHESTXBMHRJ-UHFFFAOYSA-N 249.354 2.950 0 50 BFAA NNc1ccnc2cc(C(F)(F)F)ccc12 2564384 FLBHSBYFKNVRDM-UHFFFAOYSA-N 227.189 2.539 0 50 BFAA CNc1ccc(Cn2nnc3ccccc32)cc1 5329163 YUNUZWSOSBYISE-UHFFFAOYSA-N 238.294 2.521 0 50 BFAA c1ccc(CCO[C@H]2CCCCO2)cc1 6096214 YTSCAWRTSJUGJL-ZDUSSCGKSA-N 206.285 2.772 0 50 BFAA COc1cccc(NC(=O)N2CCC(C)CC2)c1 6731294 RHIPTQQOYKEYBF-UHFFFAOYSA-N 248.326 2.959 0 50 BFAA Oc1ncccc1-c1nc2ccccc2o1 8729885 IMBFGQSBFRQBTA-UHFFFAOYSA-N 212.208 2.595 0 50 BFAA CCOc1cc(Br)ccc1C(=O)O 37475143 WNVOYJBTTPWDLA-UHFFFAOYSA-N 245.072 2.546 0 50 BFAA in-vitro Cc1ccc2c(c1)c1c3n2CNC[C@H]3CCC1 49580858 FSIGALZTPGKSDE-LLVKDONJSA-N 226.323 2.930 0 50 BFAA CC(C)(C)OC(=O)c1cc(F)c(C=O)c(F)c1 75629548 AZIZOEBUVZHPOJ-UHFFFAOYSA-N 242.221 2.733 0 50 BFAA C[C@H]1CCN(C(=O)OC(C)(C)C)CC1(F)F 95626809 RYCYZQNRKAYABF-QMMMGPOBSA-N 235.274 2.899 0 50 BFAA in-vitro COC(=O)Cc1cc(Cl)cc(F)c1Cl 261034104 GGTDIQZXNIWPQH-UHFFFAOYSA-N 237.057 2.848 0 50 BFAA FC(F)Oc1cccnc1C(F)(F)F 263622761 AQXNVLUKMFSQAA-UHFFFAOYSA-N 213.105 2.702 0 50 BFAA Fc1cc(CN2CCCC2)ccc1-n1ccnc1 1875255259 VFRKQLJJIYYEAU-UHFFFAOYSA-N 245.301 2.607 0 50 BFAA CC(=O)Nc1ccc(C(=O)OCCC(C)C)cc1 80704 PETMTNYVYIERFP-UHFFFAOYSA-N 249.310 2.848 0 50 BFAA O[C@H]1CCN(Cc2ccc(Cl)c(Cl)c2)C1 215426 NAPPFWAXGCBELF-VIFPVBQESA-N 246.137 2.560 0 50 BFAA CC(C)[C@H](C)NC(=O)NC1CCCCC1 388950 XWSLHQWUWZWPIP-JTQLQIEISA-N 212.337 2.663 0 50 BFAA CC[C@H](O)c1ccc(Br)cc1 394599 QLMFTKHAIDWIDC-VIFPVBQESA-N 215.090 2.893 0 50 BFAA in-vitro CCCCCCC(=O)CCCC(=O)O 4582907 LXPXOCHGDNNXCA-UHFFFAOYSA-N 200.278 2.781 0 50 BFAA COc1cc(NCc2ccoc2)cc(OC)c1 4981170 NYMCTPKATMFJSV-UHFFFAOYSA-N 233.267 2.909 0 50 BFAA CCSc1ccc(NC(C)=O)s1 5247701 BHMIQFRBADXBEX-UHFFFAOYSA-N 201.316 2.819 0 50 BFAA CN(C(=O)c1cccc(N)c1)C1CCCCC1 6645301 QSSZFEXITQOVAN-UHFFFAOYSA-N 232.327 2.674 0 50 BFAA NCC1(c2ccc(Cl)cc2Cl)CC1 11884495 UIOUHXIRQXSZJM-UHFFFAOYSA-N 216.111 2.984 0 50 BFAA c1ccc2c3c([nH]c2c1)[C@@H](c1ccncc1)NCC3 19688748 MTYAQGYHCVXXRK-OAHLLOKOSA-N 249.317 2.798 0 50 BFAA C[C@@H](CO)CCNc1nccc(C2CCCC2)n1 71730185 ITKPVYCCURXZSF-LLVKDONJSA-N 249.358 2.565 0 50 BFAA C[C@H]1[C@@H](C)C1(Br)Br 71775028 LHYCCVIMMLLDLH-ZXZARUISSA-N 227.927 2.758 0 50 BFAA Cc1c[nH]c2nccc(Br)c12 96372390 GFSUMMCGIHFVNS-UHFFFAOYSA-N 211.062 2.634 0 50 BFAA in-vitro CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@H]2C(=O)C(F)(F)F 100650199 ISLOIHOAZDSEAJ-OKTBNZSVSA-N 248.244 2.759 0 50 BFAA Fc1ccc(-c2noc(C3CCC3)n2)cn1 725273517 IPKKJGVLIARJQH-UHFFFAOYSA-N 219.219 2.538 0 50 BFAA c1ccc(-c2nccn2[C@@H]2CCSC2)nc1 1875250527 JLIHGIVBLKNART-SNVBAGLBSA-N 231.324 2.623 0 50 BFAA Cc1cc2[nH]c(=N)[nH]c2cc1/C=C/C(F)(F)F 2325816619 IXYQHJOONZCLFL-NSCUHMNNSA-N 241.216 2.859 0 50 BFAA O=C(NCc1ccco1)Oc1ccccc1 63659 VVSQIDMBJAISPY-UHFFFAOYSA-N 217.224 2.568 0 50 BFAA CC(=O)Nc1ccc2c(c1)ncn2C(C)(C)C 196214 AJXKVFQOZOQNRD-UHFFFAOYSA-N 231.299 2.750 0 50 BFAA CCCN(CCO)Cc1ccc(SC)cc1 278855 WCFLNOYIELPFAL-UHFFFAOYSA-N 239.384 2.613 0 50 BFAA CC(C)(C)NC(=O)[C@H]1C[C@H]1c1ccccc1 301257 TZBSBJOHRGVDKB-RYUDHWBXSA-N 217.312 2.705 0 50 BFAA COc1cc(C=O)cc(Cl)c1OC(C)C 454721 YJXAUTANCTWVOT-UHFFFAOYSA-N 228.675 2.948 0 50 BFAA in-vitro O=C1[C@H]2CCC[C@H]1[C@@H](N1CCCCC1)CC2 586433 RVZATTSXQJHIRB-AVGNSLFASA-N 221.344 2.620 0 50 BFAA CCOc1ccc(C(C)=O)c(OCC)c1C 2563914 ZGPPGJDLCWXVHS-UHFFFAOYSA-N 222.284 2.995 0 50 BFAA COc1cc(C(=O)Nc2ccccc2)ccc1N 2566117 QIRMSRRCGFUJSW-UHFFFAOYSA-N 242.278 2.530 0 50 BFAA COc1cc(C)cc2oc(=O)c3c(c12)CCC3 4387718 NPEOEUADRDQTCN-UHFFFAOYSA-N 230.263 2.599 0 50 BFAA biogenic CCCCOc1ccccc1OCCNCC 6729094 MGDXDKNPCWYFTB-UHFFFAOYSA-N 237.343 2.854 0 50 BFAA CCCNC(=O)Nc1cc(F)ccc1C 6741733 ORQXSLCCBQGLPA-UHFFFAOYSA-N 210.252 2.666 0 50 BFAA COC(C)(C)CCC[C@H](C)COC(C)=O 12383408 LBMUSVGZWYAWPE-JTQLQIEISA-N 216.321 2.781 0 50 BFAA CC[C@H](C)NC(=O)N[C@@H]1CCCC[C@@H]1C 13745670 NZTAKZCQLDQXAZ-GARJFASQSA-N 212.337 2.663 0 50 BFAA Cc1ccccc1O[C@H](C)c1nnc(S)n1C 16973704 OKBATRZDTGFJBZ-SECBINFHSA-N 249.339 2.552 0 50 BFAA in-vitro Cc1ccc2nc([C@H](N)C(C)C)[nH]c2c1 19088305 FYXUYWWJKLWESE-LLVKDONJSA-N 203.289 2.527 0 50 BFAA in-vitro CC[C@H](Oc1ccccc1C)C(=O)N1CCCC1 30869645 CCXMELOHLGKHFT-ZDUSSCGKSA-N 247.338 2.775 0 50 BFAA COc1ccccc1CN(C)C(=O)C(C)(C)C 45477376 RUNPSGZKHNETJJ-UHFFFAOYSA-N 235.327 2.700 0 50 BFAA Cc1ccc(-c2cnc(CCC(=O)O)o2)cc1 49639288 KUHSHVDXDQXTQG-UHFFFAOYSA-N 231.251 2.667 0 50 BFAA in-vitro Cc1ccc(CN)c(OC2CCCC2)c1 51580317 SKUQMTPVDPTNMH-UHFFFAOYSA-N 205.301 2.775 0 50 BFAA in-vitro CC(C)(C)C(=O)Nc1c(F)cccc1F 70237039 BZTABTOJVYHWHE-UHFFFAOYSA-N 213.227 2.949 0 50 BFAA CC[C@H]1[C@@H]2[C@@H](O)C[C@@H]3C(=O)CC[C@@H]3[C@H]2C[C@H]1C 71786377 LJCJWLCWXYGYFD-XJIFNNGISA-N 236.355 2.645 0 50 BFAA CSc1cc(C)c(Br)cn1 86032248 XFNACZYKCKSTOP-UHFFFAOYSA-N 218.119 2.874 0 50 BFAA in-vitro Cc1ccc(-c2nc([C@H]3CCOC3)no2)cc1F 96139009 HWYHECBQCRGQMB-JTQLQIEISA-N 248.257 2.688 0 50 BFAA COCc1csc(NCc2ccccc2)n1 196610182 WAKKKZUSXVOWQO-UHFFFAOYSA-N 234.324 2.902 0 50 BFAA COc1ccc(CNc2ncc(F)s2)cc1 215498352 YCKPUECVVJKHGP-UHFFFAOYSA-N 238.287 2.903 0 50 BFAA Cc1cc(-c2cccnc2)nc(-c2cccnc2)n1 220401871 AOQSULMXXLEBIM-UHFFFAOYSA-N 248.289 2.909 0 50 BFAA CC[C@@H](Oc1cccc2c1CCCC2)C(=O)O 226096339 XHEBUTDBGWOAQC-GFCCVEGCSA-N 234.295 2.807 0 50 BFAA CCn1ccc2c(Cl)nc(Cl)nc21 231433197 VQOZIAAEKGDONZ-UHFFFAOYSA-N 216.071 2.758 0 50 BFAA CC[C@@H]1CCCCN1CC[C@H]1CCCNC1 247963567 GNOWGXOXOZXNID-ZIAGYGMSSA-N 224.392 2.641 0 50 BFAA CCC/C=C/c1cc(C(=O)NC)ccc1OC 426465168 LAUVYJRLXDHGRO-VOTSOKGWSA-N 233.311 2.868 0 50 BFAA CC(C)Cc1onc(-c2ccc[nH]2)c1C(=O)O 675057929 SAUJTFUNENOLHM-UHFFFAOYSA-N 234.255 2.566 0 50 BFAA C=CC(=O)NC[C@H]1CCC[C@@H](C(F)(F)F)C1 848979133 FUJBPJDTSHGDLY-DTWKUNHWSA-N 235.249 2.657 0 50 BFAA C=CC(=O)N1CCC[C@@]1(C)Cc1ccccc1F 863971201 ISHRJUJQECUELM-HNNXBMFYSA-N 247.313 2.935 0 50 BFAA CC(C)(C)C(=O)NCCc1c[nH]c2ccccc12 51337 KVMLEEWOKYGSEL-UHFFFAOYSA-N 244.338 2.873 0 50 BFAA O=C1c2ccccc2-c2nc3ccccc3nc21 97680 GUGBQOJXKJAMTE-UHFFFAOYSA-N 232.242 2.841 0 50 BFAA CCOc1ncnc2sc3c(c12)CCCC3 156773 WZUOYNVFYMFJPS-UHFFFAOYSA-N 234.324 2.969 0 50 BFAA COC(=O)c1c(OC)ccc2ccccc12 403463 BDXGQHHFVPQVAQ-UHFFFAOYSA-N 216.236 2.635 0 50 BFAA S=C(NCc1cccs1)NC1CCCC1 469275 BIYZGNUBNSNUES-UHFFFAOYSA-N 240.397 2.655 0 50 BFAA Cc1ccc(C)n1NC(=O)c1cccs1 608829 YHRPLDJZBVUBBP-UHFFFAOYSA-N 220.297 2.550 0 50 BFAA C[C@@H](CCc1ccccc1)NCCCN(C)C 2498499 YDPFUXMBVCZVAG-AWEZNQCLSA-N 234.387 2.549 0 50 BFAA CN(C)CCOc1cccc2ccccc12 2518841 VWPBKUKQUUEARZ-UHFFFAOYSA-N 215.296 2.780 0 50 BFAA COc1ccc(Cl)cc1NC(=O)C(C)C 3192519 PZCQMUMKJOTUOD-UHFFFAOYSA-N 227.691 2.943 0 50 BFAA CCOc1ccccc1[C@H]1CCCCN1 3734678 CGFQHEDRTYRHDN-GFCCVEGCSA-N 205.301 2.900 0 50 BFAA in-vitro Cc1c(Cl)ccc2c(O)c(C(=O)O)cnc12 9332101 KIGXAPARJYAEQL-UHFFFAOYSA-N 237.642 2.600 0 50 BFAA in-vitro CCc1n[nH]c(SCc2ccc(F)cc2)n1 11990825 PDRCRYDIGWFQFO-UHFFFAOYSA-N 237.303 2.799 0 50 BFAA Nc1ccc2cc(Br)ccc2n1 13584273 GSKICCPQEZRQEC-UHFFFAOYSA-N 223.073 2.580 0 50 BFAA in-vitro Clc1ccc2[nH]c(C[C@H]3CCCNC3)nc2c1 14001475 MMOIJSZYUPRGBN-SECBINFHSA-N 249.745 2.758 0 50 BFAA CC(C)(C)OC(=O)NC[C@@H]1CNc2ccccc21 20281964 ZYDGETNTBBDROM-JTQLQIEISA-N 248.326 2.720 0 50 BFAA in-vitro CC[C@H](Sc1ccc(Cl)cc1)C(N)=O 30864565 ZCXOQPALMKVZTN-VIFPVBQESA-N 229.732 2.696 0 50 BFAA Cc1nc(N2CCCCCCC2)ncc1[C@@H](C)N 91871796 ZBKVTXCMCJPDKB-LLVKDONJSA-N 248.374 2.575 0 50 BFAA Cc1cc(O)n(-c2ccccc2Cl)n1 101140076 AOJZHOSAFRXPQQ-UHFFFAOYSA-N 208.648 2.540 0 50 BFAA OCCCCCn1ccc2ccccc21 104294343 TXJPSIJDJVIUTI-UHFFFAOYSA-N 203.285 2.804 0 50 BFAA Cc1cc(C(=O)O)c2c(c1)[C@H](C)CCN2 225809706 ODQNXDWKMPHFDQ-MRVPVSSYSA-N 205.257 2.612 0 50 BFAA in-vitro CC1=CC[C@H](O)[C@@]2(C)CC[C@H](C(C)(C)O)C[C@H]12 1082884046 MOURJLAFUXNWJF-XFMPKHEZSA-N 238.371 2.891 0 50 BFAA biogenic Nc1nc(SCc2ccc(F)cc2)ns1 129527 RWBUWFIZVUABIP-UHFFFAOYSA-N 241.316 2.552 0 50 BFAA Cc1ccc(Oc2ccc(C=O)cn2)cc1 169499 SISORSWVBWIJDU-UHFFFAOYSA-N 213.236 2.995 0 50 BFAA in-vitro c1ccc2c(CC3=NCCCN3)cccc2c1 1697197 WLQZWODOVBLOCK-UHFFFAOYSA-N 224.307 2.774 0 50 BFAA CCCOc1c(Cl)cc(C(=O)O)cc1OC 2140790 VDZBTNGCKVYNFY-UHFFFAOYSA-N 244.674 2.836 0 50 BFAA COC(=O)c1cc2ccc(Cl)cc2[nH]1 2534102 HHDCCGVOJXWGEU-UHFFFAOYSA-N 209.632 2.608 0 50 BFAA in-vitro OCc1cc2cc(Br)ccc2o1 4277338 JYYWIDBNICYLBN-UHFFFAOYSA-N 227.057 2.688 0 50 BFAA biogenic,in-vitro CCCc1nc2ccccc2n1[C@@H](C)C(=O)O 4941882 OFYZINWGFMTKOQ-VIFPVBQESA-N 232.283 2.634 0 50 BFAA in-vitro CCCCNC1CC(C)(C)NC(C)(C)C1 5821318 FDAKZQLBIFPGSV-UHFFFAOYSA-N 212.381 2.685 0 50 BFAA CCOc1ccc(C(=O)NCC(C)C)cc1C 13582198 ASSTWLKJHAXXBE-UHFFFAOYSA-N 235.327 2.780 0 50 BFAA O=c1[nH]c2cc(Cl)cc(Cl)c2s1 14985050 RUNPTHCODOLAQS-UHFFFAOYSA-N 220.080 2.896 0 50 BFAA COc1ccc(S[C@@H]2CCCNC2)cc1 15020942 SIFHYWQYOGEIMG-GFCCVEGCSA-N 223.341 2.539 0 50 BFAA in-vitro C[C@H](C(=O)O)c1ccccc1Br 34413715 HAZQYHDLSHWBEF-LURJTMIESA-N 229.073 2.637 0 50 BFAA in-vitro OCCC[C@@]1(O)CCCC[C@@H]1c1ccccc1 43762874 GXIZSEVMWHKCPA-CABCVRRESA-N 234.339 2.848 0 50 BFAA O=[S@]1c2ccccc2Nc2ccc(O)cc21 71777897 NKNOZWHLHDFNKU-MRXNPFEDSA-N 231.276 2.616 0 50 BFAA Nc1cc(Br)cc(Cl)c1F 75843651 PFYMUCZWLUYFDV-UHFFFAOYSA-N 224.460 2.824 0 50 BFAA Brc1cccc(/C=C2\CCNC2)c1 86882381 VTYUEORMLYWWFG-UXBLZVDNSA-N 238.128 2.826 0 50 BFAA COc1ccc([C@@H](C)Nc2ncccn2)cc1F 91849103 YMKOZCVPAINFRT-SECBINFHSA-N 247.273 2.797 0 50 BFAA CCCOc1cc(Cl)c(C(=O)O)cc1OC 113408294 GCWJUHQVWDLPIL-UHFFFAOYSA-N 244.674 2.836 0 50 BFAA Cc1cccc(N(C)C(=O)Cc2cccs2)n1 118623678 SXDZYCKRGPJKMN-UHFFFAOYSA-N 246.335 2.657 0 50 BFAA C[C@@H](CCO)Nc1ncc(Cl)cc1Cl 133389953 XYMWZGDZNBTDBJ-LURJTMIESA-N 235.114 2.571 0 50 BFAA Fc1cc(Br)c2ncoc2c1 258837784 UUMOCNVCZVQRDP-UHFFFAOYSA-N 216.009 2.729 0 50 BFAA CN([C@H](CO)c1ccccc1)[C@H]1C=CCCC1 264980013 KIVUDBNTXUTHFF-LSDHHAIUSA-N 231.339 2.761 0 50 BFAA c1nc(N2CCC23CCC3)c2ccsc2n1 336346676 JYEMDBNNXUKAFJ-UHFFFAOYSA-N 231.324 2.824 0 50 BFAA O=C(NC1CCC(F)(F)CC1)C1CC=CC1 336602959 FSTSKKJSFDKOOO-UHFFFAOYSA-N 229.270 2.647 0 50 BFAA c1ccc2c(c1)nnn2CSCC1CC1 863950126 WDTYSNFGRKUASO-UHFFFAOYSA-N 219.313 2.532 0 50 BFAA C1=C[C@@H](CNCc2ccc3nc[nH]c3c2)CC1 883238816 NAZNAYVDVRULNS-LLVKDONJSA-N 227.311 2.619 0 50 BFAA Oc1ccc(C=Cc2cc(O)cc(O)c2)cc1 1857524289 LUKBXSAWLPMMSZ-UHFFFAOYSA-N 228.247 2.974 0 50 BFAA c1cc2c(s1)CCC[C@@H]2CN1CCOCC1 1857795647 BWGHHMFJAACLEL-LLVKDONJSA-N 237.368 2.500 0 50 BFAA CC[N+]1=C(/C=C\Nc2ccccc2)SCC1 289584 ZZNHMAPPYVSADI-UHFFFAOYSA-O 233.360 2.790 0 50 BFAA CC[C@@H](C)NC(=S)NC1CCCCC1 305240 TXOOPHJITPWAFP-SECBINFHSA-N 214.378 2.582 0 50 BFAA CCOC(=O)CSc1cccc2cccnc12 617289 KUZAWDRHHATKNE-UHFFFAOYSA-N 247.319 2.890 0 50 BFAA C[C@@H](Oc1ccc(Cl)cc1)c1ccnc(N)n1 1399906 WOLAWBYIEFHDQW-MRVPVSSYSA-N 249.701 2.852 0 50 BFAA C[C@H](N)Cc1cccc(C(F)(F)F)c1 1675817 MLBHFBKZUPLWBD-ZETCQYMHSA-N 203.207 2.595 0 50 BFAA biogenic,in-vitro CNC(=S)Nc1cccc2ccccc12 2946611 VNYCNEZSUHRXMT-UHFFFAOYSA-N 216.309 2.756 0 50 BFAA in-vitro Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 4298857 RWUGRGDUCVDTDI-UHFFFAOYSA-N 223.659 2.675 0 50 BFAA COc1ccc(NCc2ccc(C(=O)O)o2)cc1 4536039 GDCRSJACHLLDEW-UHFFFAOYSA-N 247.250 2.599 0 50 BFAA CC(=O)O[C@@H](C)CC(C)(C)N1CCCCC1 4957715 CYEDXTUSMLTMCZ-NSHDSACASA-N 227.348 2.593 0 50 BFAA CCNC(=S)Nc1ccc(Cl)cc1 5734159 HNDPPFMCVAHWCO-UHFFFAOYSA-N 214.721 2.646 0 50 BFAA Cc1ccc(CC(=O)n2nc(C)cc2C)cc1 6698199 SQPCXWGGPFOQKL-UHFFFAOYSA-N 228.295 2.691 0 50 BFAA Nc1nc2c(s1)C(=O)C[C@H](c1ccccc1)C2 9046565 HRSUKZMYFXBXMT-SECBINFHSA-N 244.319 2.638 0 50 BFAA OC[C@H]1CCCCN1Cc1ccccc1Cl 16514163 HUSSNDHWKHHJRC-GFCCVEGCSA-N 239.746 2.687 0 50 BFAA O=C1Nc2ccccc2C(=O)Nc2ccccc21 16974563 YLPHHYHMUZCODZ-UHFFFAOYSA-N 238.246 2.505 0 50 BFAA Fc1ccccc1-c1nsc(Cl)n1 44154602 MQGCJHPDDMPIMW-UHFFFAOYSA-N 214.652 2.998 0 50 BFAA CN(Cc1ccc(C(=O)O)cn1)C1CCCCC1 94762106 QJUQWJXAGIAKLF-UHFFFAOYSA-N 248.326 2.544 0 50 BFAA O=C(Cc1ccsc1)N[C@@H]1C=CCCC1 157417982 DFBDHTGVXFBZFM-LLVKDONJSA-N 221.325 2.516 0 50 BFAA O=C1CCOc2cc(F)cc(Br)c21 238610076 HAVWPXAFESISPA-UHFFFAOYSA-N 245.047 2.553 0 50 BFAA COc1cccc2c1[C@H]1[C@H]3[C@@H]4[C@H]5[C@@H]([C@H]14)[C@@H]2[C@@H]35 248250610 PHICXBGTDAEVRO-JOOBTXEYSA-N 210.276 2.628 0 50 BFAA c1ccc2ncc(CNCC3CC3)cc2c1 300716810 GKGJTULBLKQULH-UHFFFAOYSA-N 212.296 2.734 0 50 BFAA O=C(O)C1(CCCOCc2ccccc2)CC1 306290761 QDNVUCFHKCYXHY-UHFFFAOYSA-N 234.295 2.848 0 50 BFAA CCc1occc1-c1nc(-c2ccccn2)no1 345642290 QDRMLLCEFRWSNX-UHFFFAOYSA-N 241.250 2.954 0 50 BFAA CCOc1cccc(-c2cc(CO)ncc2F)c1 426648208 WUAAPNFAZBDSHX-UHFFFAOYSA-N 247.269 2.779 0 50 BFAA COc1c(C)cc(-c2n[nH]c(C3CC3)n2)cc1C 426701621 NMBUFMMPBOZKJU-UHFFFAOYSA-N 243.310 2.975 0 50 BFAA CC(C)C[C@@H](C(=O)NC(C)C)n1cccc1 888104981 SVSDEOXGUSMAMP-LBPRGKRZSA-N 222.332 2.600 0 50 BFAA CC(=O)Nc1nc(-c2ccccc2)cs1 142501 HJZGXXPOKWGQHH-UHFFFAOYSA-N 218.281 2.769 0 50 BFAA Cc1cc(Cl)ccc1O[C@@H](C)C(=O)O 256143 WNTGYJSOUMFZEP-ZETCQYMHSA-N 214.648 2.500 0 50 BFAA biogenic,in-vitro Cc1ccc(-n2nc3ccc(N)cc3n2)cc1C 361580 PTWAAUTXORKJSU-UHFFFAOYSA-N 238.294 2.620 0 50 BFAA C[C@@H]1CCCCN1C(=O)Cc1cccs1 450270 PJBODDJXBCIVCU-SNVBAGLBSA-N 223.341 2.692 0 50 BFAA COc1ccc2cc(C=O)c(Cl)nc2c1 2578394 WRXZCLBKDXISQA-UHFFFAOYSA-N 221.643 2.709 0 50 BFAA in-vitro CCCCNC(=O)Nc1ccccc1F 3086067 FAQNGXMRIBGNRC-UHFFFAOYSA-N 210.252 2.747 0 50 BFAA Cc1ccc(C)c2c(C)c(C(=O)O)[nH]c12 4384264 NTLCTUIGGRCPPO-UHFFFAOYSA-N 203.241 2.791 0 50 BFAA in-vitro CN(C)C(=O)Nc1ccccc1C(F)(F)F 4794708 MWAQUCGIDKZDEQ-UHFFFAOYSA-N 232.205 2.799 0 50 BFAA CC[C@H](NC(=O)C(C)C)c1ccccc1 5337127 NPPODLSBKBLBIM-LBPRGKRZSA-N 205.301 2.910 0 50 BFAA CC(C)Oc1ccccc1-c1nnc(S)[nH]1 5817441 NUEYLDGJNGMCGB-UHFFFAOYSA-N 235.312 2.548 0 50 BFAA CCCC(=O)Nc1cccc(C(=O)NC(C)C)c1 12404191 ASLVWJKZTXXIRM-UHFFFAOYSA-N 248.326 2.563 0 50 BFAA c1csc(-c2noc(CNC3CCCC3)n2)c1 16649116 XEIGIDYJHHIYNE-UHFFFAOYSA-N 249.339 2.830 0 50 BFAA CCOC(=O)c1c(-c2ccc(F)cc2)noc1C 19616230 QQZTUBJEZZHCKF-UHFFFAOYSA-N 249.241 2.966 0 50 BFAA O=Cc1ccc(C(F)(F)F)nc1Cl 38540140 XGRYCVUVCDXRIW-UHFFFAOYSA-N 209.554 2.566 0 50 BFAA in-vitro N[C@H]1CCc2c(OC(F)(F)F)cccc21 42405105 IKXWTQGGDSQKNS-QMMMGPOBSA-N 217.190 2.531 0 50 BFAA CN[C@@H]1CCCC[C@@H]1[C@H](O)c1ccc(OC)cc1 71774151 AIGURAKVPDMCSE-RRFJBIMHSA-N 249.354 2.507 0 50 BFAA CC(C)(C)OC(=O)NCCc1cccc(C=O)c1 114420348 ZPQVFCBZTIFUKQ-UHFFFAOYSA-N 249.310 2.566 0 50 BFAA CCC[C@]1(COC)CCCN1C(=O)[C@@H](C)CC 192763579 KVYCLFDSVSEADU-GXTWGEPZSA-N 241.375 2.840 0 50 BFAA Cc1cccc([C@H]2CCCCN2CC(=O)O)c1C 225453052 RFRPXHAHSKOMFO-CQSZACIVSA-N 247.338 2.915 0 50 BFAA C[C@@H]1CC[C@@H](NCC(C)(C)CCO)C[C@H]1C 253370344 PORANGSONGZKAI-JHJVBQTASA-N 227.392 2.809 0 50 BFAA O=C(Cc1ccc(Cl)cc1)N1C[C@@H]2CCC[C@@H]21 335998103 JPIAWEYOBHDVIR-AAEUAGOBSA-N 249.741 2.893 0 50 BFAA O=C(N[C@@H]1CCCc2ccccc21)OCCF 583651644 PZQCYUXOENPKOZ-GFCCVEGCSA-N 237.274 2.760 0 50 BFAA O=C(CC1CC1)Nc1cc(Cl)nnc1Cl 1875360691 GCQXLSPWIKLBTO-UHFFFAOYSA-N 246.097 2.522 0 50 BFAA O=c1[nH]cnc2cc(-c3ccc(F)cc3)sc12 82219 AUDPELUZZOKGLM-UHFFFAOYSA-N 246.266 2.791 0 50 BFAA Cc1nc2c(Cl)cc(Cl)cc2c(=O)o1 184788 GKYRRPSGTKLVLS-UHFFFAOYSA-N 230.050 2.803 0 50 BFAA CCCn1c(C)nc2c(=O)oc3ccccc3c21 258898 ROFDAXZALXSTJZ-UHFFFAOYSA-N 242.278 2.861 0 50 BFAA O=C1CS[C@@H](c2cccc(Cl)c2Cl)N1 291422 BLCWANIQKOBJEM-VIFPVBQESA-N 248.134 2.855 0 50 BFAA C[C@@H]1CCCN(C(=O)c2cccc(F)c2)C1 318805 PUWFGBFVUFVYKS-SNVBAGLBSA-N 221.275 2.698 0 50 BFAA Cc1ccc(C(=O)N2CCCC2)c(F)c1F 1118336 YTJNBTXLDHQUCF-UHFFFAOYSA-N 225.238 2.509 0 50 BFAA CC(C)CCn1c(C=O)nc2ccccc21 1470675 WEXPRFKZZPRCKY-UHFFFAOYSA-N 216.284 2.895 0 50 BFAA in-vitro COC(=O)c1cccc(-c2ccccc2C=O)c1 2525666 XNKYEDLHAYGZJP-UHFFFAOYSA-N 240.258 2.953 0 50 BFAA CC[C@@H](C)NCCOc1ccccc1C 2825516 GZITZZZQZZAJCB-GFCCVEGCSA-N 207.317 2.762 0 50 BFAA COC(=O)NCC12CC3CC(CC(C3)C1)C2 3995629 FXADKFCOMRXOSI-UHFFFAOYSA-N 223.316 2.559 0 50 BFAA Cc1cc(C)cc(C(=O)Nc2cc(C)on2)c1 9218697 BSFJEMJQFXTOLQ-UHFFFAOYSA-N 230.267 2.852 0 50 BFAA COc1ccc(-c2ccc(F)nc2)cc1 16158970 IADFLNQUJBKKSE-UHFFFAOYSA-N 203.216 2.896 0 50 BFAA O=C(O)c1cnccc1-c1cccs1 65355576 SEICRSLAJGWVID-UHFFFAOYSA-N 205.238 2.508 0 50 BFAA Nc1ccc2c(c1Br)CCCC2=O 209832955 VUZFOAXBUORHEL-UHFFFAOYSA-N 240.100 2.550 0 50 BFAA O=C(O)c1ccc(Nc2nccs2)cc1F 236474941 PBWKJVXSTLIJRV-UHFFFAOYSA-N 238.243 2.724 0 50 BFAA CC[C@@H]1C[C@H]1C(=O)NCC1Cc2ccccc2C1 449887331 ZDDXRZXKNCJZFF-IUODEOHRSA-N 243.350 2.564 0 50 BFAA COc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C3)C2)o1 655070868 NFRMBOPMNGWVGJ-QWRGUYRKSA-N 249.310 2.550 0 50 BFAA Cc1cc(Cl)ncc1NC(=O)N1CC(C)C1 806358579 WHFXQFMKVRISMH-UHFFFAOYSA-N 239.706 2.527 0 50 BFAA C=CC(=O)N1CCC[C@@H]1c1ccc(F)cc1 848979368 UWLYIAXYDUIRMM-GFCCVEGCSA-N 219.259 2.675 0 50 BFAA C=CC(=O)NCCC12CCC(CC1)C2(C)C 1875368663 IZPKPQYLDAXREA-UHFFFAOYSA-N 221.344 2.895 0 50 BFAA O=C(O)CCC(=O)Nc1ccc2ccccc2c1 50806 LYNFOUMTFFAMAN-UHFFFAOYSA-N 243.262 2.643 0 50 BFAA in-vitro CC(C)c1ccc(CN2CCC(O)CC2)cc1 239622 CFAILTWQQPILFW-UHFFFAOYSA-N 233.355 2.767 0 50 BFAA O=C1CCCc2c1ccn2-c1ccccc1 1719362 ITWRMHYPDWFLPT-UHFFFAOYSA-N 211.264 2.996 0 50 BFAA COC(=O)Nc1cccc(C(F)(F)F)c1 2147353 NRXWBPKDKRPCTE-UHFFFAOYSA-N 219.162 2.884 0 50 BFAA in-vitro Cc1ccc(C(=O)NCCCc2ccccc2)o1 2774132 IQHDDSRIDSVHCR-UHFFFAOYSA-N 243.306 2.951 0 50 BFAA Cc1ccc2c3c1C(=O)C(=O)N3C(C)(C)C[C@H]2C 2848374 WDCRHFDWGSWJCT-SECBINFHSA-N 243.306 2.810 0 50 BFAA Cc1cc(C(=O)Nc2ccc(C(=O)O)cc2)co1 2873273 PLCWKAVQWQDOPT-UHFFFAOYSA-N 245.234 2.539 0 50 BFAA Cc1cccc(NC(=O)c2ccccc2N)c1 3350342 ZLUXETNDOIBMSR-UHFFFAOYSA-N 226.279 2.830 0 50 BFAA in-vitro C[C@H]([C@@H](O)C12CC3CC(CC(C3)C1)C2)N(C)C 3897330 GFPDBAUVWCFADK-DWABTGGYSA-N 237.387 2.514 0 50 BFAA O=C(O)CCc1ccc(F)c(Br)c1 35688532 OSNHUWREKCWLMH-UHFFFAOYSA-N 247.063 2.605 0 50 BFAA in-vitro CC(C)(C)OC(=O)N1Cc2cccc(N)c2C1 75629388 PXJOFDSGLKGPGN-UHFFFAOYSA-N 234.299 2.520 0 50 BFAA CCOC(=O)c1cc(C)nn1-c1ccc(C)cc1 97756633 LFNKYWNWXYXRKZ-UHFFFAOYSA-N 244.294 2.666 0 50 BFAA c1ccc2c(NC[C@H]3CCCO3)nccc2c1 144673746 PHSQLNZWHXXALD-GFCCVEGCSA-N 228.295 2.826 0 50 BFAA Cc1cc2[nH]c(=S)n(C3CCCC3)c(=O)c2[nH]1 221631328 NNDMKMMHSBQJIG-UHFFFAOYSA-N 249.339 2.811 0 50 BFAA C[C@H](NC(=O)C(C)(C)C)[C@H]1C[C@H]2CC[C@H]1C2 243584773 OQNMQGCHGSHCCA-FIQHERPVSA-N 223.360 2.973 0 50 BFAA Oc1cc(Br)c(Cl)cc1F 263624460 QSKPPUUBUALOCQ-UHFFFAOYSA-N 225.444 2.947 0 50 BFAA CCC1(CC)NC(=O)N(c2ccc(C)c(C)c2)N1 334160979 PZOXNSRWWKXATL-UHFFFAOYSA-N 247.342 2.854 0 50 BFAA COc1ccc(-c2ccc(C(C)C)nn2)cn1 426503691 UVRIRKVXHGYJLN-UHFFFAOYSA-N 229.283 2.671 0 50 BFAA CC(C)=C=CC(C)(C)[C@@H](C)N[C@H]1C[C@@H](CO)C1 1775987249 UFRRXLOXSRLQPS-MCIONIFRSA-N 237.387 2.883 0 50 BFAA CCN(CC)C(=S)Nc1ccc(F)cc1 315400 FQBJWBWTUXYGIN-UHFFFAOYSA-N 226.320 2.864 0 50 BFAA O=C(O)c1ccoc1CCc1cccs1 480925 OHLFPNMTQBBPBW-UHFFFAOYSA-N 222.265 2.825 0 50 BFAA OC[C@H]1CCCCN1C/C=C/c1ccccc1 757032 PPKHVWPJPUOATP-RZIFZGNASA-N 231.339 2.547 0 50 BFAA Brc1ccc2cnccc2c1 1758073 ZTEATMVVGQUULZ-UHFFFAOYSA-N 208.058 2.997 0 50 BFAA in-vitro O=C1c2ccccc2C(=O)N1c1ccccc1F 4426525 HCQFOSQIIFTMGC-UHFFFAOYSA-N 241.221 2.626 0 50 BFAA CCC(CC)NCc1cccc(OC)c1OC 4685504 GTCICRKZKTWGII-UHFFFAOYSA-N 237.343 2.982 0 50 BFAA O[C@@H](CCc1ccccc1)c1ccncc1 8701039 LKRXAUGAEMSWCP-AWEZNQCLSA-N 213.280 2.748 0 50 BFAA Nc1ccc(N2CCCCC2)c2ccncc12 9646687 FQYACGNUUDWZND-UHFFFAOYSA-N 227.311 2.807 0 50 BFAA in-vitro CNCc1cc(C)oc1-c1ccccc1 12370406 UOPUGXOLGTYISK-UHFFFAOYSA-N 201.269 2.974 0 50 BFAA in-vitro COc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1C 23114765 PXRYQGYLYYWQMW-STQMWFEESA-N 249.354 2.613 0 50 BFAA Cc1cc(C=O)c(Br)cc1F 26893621 GVSFHINXVWRTPT-UHFFFAOYSA-N 217.037 2.709 0 50 BFAA in-vitro Fc1cccc(-c2noc([C@@H]3CCCCN3)n2)c1 35660492 KBBZWQAPDQFBEM-NSHDSACASA-N 247.273 2.690 0 50 BFAA c1ccc(Nc2ncc3c(n2)CCC3)cc1 67621416 UXRKXKZLGXJKTH-UHFFFAOYSA-N 211.268 2.709 0 50 BFAA O=c1cc(CCOc2ccc(Cl)cc2)cc[nH]1 92061669 LCEXLTDPDMGVSX-UHFFFAOYSA-N 249.697 2.650 0 50 BFAA c1cncc([C@H]2CN(CC3CCCC3)CCO2)c1 97654020 DRFMBYFSSGDUSP-OAHLLOKOSA-N 246.354 2.645 0 50 BFAA COC(=O)c1csc(C(F)(F)F)c1 223394137 RQHJZTIWHSEZMF-UHFFFAOYSA-N 210.176 2.554 0 50 BFAA in-vitro C[C@]1(O)C2C[C@H]3C4CC5C[C@@H]3C1[C@H](C5)[C@H]4C2 248028766 OSSAWQZYLMHALX-NDMCCDBPSA-N 218.340 2.686 0 50 BFAA C[C@H](c1ccccc1)N1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)O 257368505 KABHMPAVGAFIRM-VZZFWQQMSA-N 245.322 2.685 0 50 BFAA CN(C(=O)OC(C)(C)C)c1ccc(O)c(F)c1 261493692 HDMKUSMTXAFFRM-UHFFFAOYSA-N 241.262 2.903 0 50 BFAA COCC[C@@H](C)NCCCc1ccccc1F 280219677 JBXYVCNAMBOHQO-GFCCVEGCSA-N 239.334 2.773 0 50 BFAA FCCCCCN1CC[C@@]2(CCCOC2)C1 368500231 VZVGWWFIKPVXKU-ZDUSSCGKSA-N 229.339 2.629 0 50 BFAA CCOc1ccc(CNC[C@H]2CCC=CO2)cc1 380198471 BRNYMLBXSBSFGN-OAHLLOKOSA-N 247.338 2.868 0 50 BFAA CCC1(CO)CCN(CC[C@@H]2CC2(F)F)CC1 822691091 QCQBEXQJXAPRSK-LLVKDONJSA-N 247.329 2.516 0 50 BFAA c1ccc(-c2nccn2C[C@@H]2CCCOC2)cc1 1875240860 IKPLFOIBLWJWKF-ZDUSSCGKSA-N 242.322 2.977 0 50 BFAA COc1ccc(-c2ncoc2C)cc1OC 1875290161 BMZKAHYPGNQWGM-UHFFFAOYSA-N 219.240 2.667 0 50 BFAA CC(C)=CC(=O)Nc1nnc(C(C)C)s1 145654 VKFLBUAPIFTOII-UHFFFAOYSA-N 225.317 2.566 0 50 BFAA CCNC(=O)Nc1c(CC)cccc1CC 396928 PJNWSAVHMYUWRJ-UHFFFAOYSA-N 220.316 2.953 0 50 BFAA CCOc1ccccc1C(=O)N[C@@H](C)CC 972013 ZZKWSCIRPRYHCE-JTQLQIEISA-N 221.300 2.614 0 50 BFAA CCn1c(-c2ccccc2OC)n[nH]c1=S 1300047 KYWIYTQTBIVIRN-UHFFFAOYSA-N 235.312 2.636 0 50 BFAA CCCCN(CCCC)C[C@H](O)CC 2171093 LNQQBMJYPYXJBH-GFCCVEGCSA-N 201.354 2.660 0 50 BFAA Cc1cc(Cl)cnc1Br 2383990 XEHWMXAUPXFOHZ-UHFFFAOYSA-N 206.470 2.806 0 50 BFAA in-vitro Clc1cnc2nc(-c3cccnc3)[nH]c2c1 2494949 HVVOZSJPEUQWMC-UHFFFAOYSA-N 230.658 2.673 0 50 BFAA Cc1cc2c(NC[C@@H]3CCCO3)ncnc2s1 2879568 RSAHQKZTMHHQAK-VIFPVBQESA-N 249.339 2.591 0 50 BFAA Cc1nc(Cl)nc(Cl)c1Br 3024947 RRWAPFKBOJWJGU-UHFFFAOYSA-N 241.903 2.854 0 50 BFAA in-vitro CCCCCN1C(=O)c2ccc(F)cc2C1=O 3188515 OLKBPDYZBAEUHI-UHFFFAOYSA-N 235.258 2.612 0 50 BFAA CC[C@@H](N)c1ccc(Br)cc1 4200443 WKPWFAZJGVXPCH-SECBINFHSA-N 214.106 2.859 0 50 BFAA in-vitro CC(C)C(=O)N[C@H]1CCCc2ccccc21 7264094 INUZQBFAWXFNGW-ZDUSSCGKSA-N 217.312 2.836 0 50 BFAA CCOC(=O)c1sc(N)nc1-c1ccccc1 8637464 OZMXFXOHCUEEPD-UHFFFAOYSA-N 248.307 2.569 0 50 BFAA biogenic,in-vitro CC(C)c1ccc([C@@H]2NCCc3nc[nH]c32)cc1 8733335 LNMXQEAWYNFGFK-AWEZNQCLSA-N 241.338 2.768 0 50 BFAA biogenic NCc1ccc(Br)c(Cl)c1 36533196 HQEHGBULSMIQAN-UHFFFAOYSA-N 220.497 2.561 0 50 BFAA CCCC(=O)N[C@@H](C)c1ccc(F)cc1 40456245 JCGFZKPXJZWTQQ-VIFPVBQESA-N 209.264 2.803 0 50 BFAA COC(=O)c1ccc(-c2ccc(F)cc2)cc1O 44857498 UKHAZQZALANADB-UHFFFAOYSA-N 246.237 2.985 0 50 BFAA CC1(C)C[C@H]1C(=O)NCc1cc2ccccc2[nH]1 119511508 BQGQILIVNCOVAQ-LBPRGKRZSA-N 242.322 2.830 0 50 BFAA Nc1cccc(Cl)c1OC(F)(F)F 138402260 CDXBZMRQOUKXBS-UHFFFAOYSA-N 211.570 2.821 0 50 BFAA Cc1cc(N)c2ncccc2c1Br 149665942 UFPSWUWJFDBHEZ-UHFFFAOYSA-N 237.100 2.888 0 50 BFAA COCC(=O)N1CCCC2(CCCCC2)CC1 190681772 ATDRHHNWMPKXJJ-UHFFFAOYSA-N 239.359 2.596 0 50 BFAA Cc1cccc(CN2CCC3(CCO3)CC2)c1 367102987 XZBRCAVLIWUZLP-UHFFFAOYSA-N 231.339 2.750 0 50 BFAA CO[C@@H](C)c1ccc(-c2ccc(CN)cn2)cc1 426490713 OPIUCHXLEHJSNV-NSHDSACASA-N 242.322 2.915 0 50 BFAA CCSCCSCn1cc(Cl)cn1 585119034 NIYGHXALJKNIHM-UHFFFAOYSA-N 236.793 2.980 0 50 BFAA CSC[C@H](C)c1nc(C2(CF)CC2)no1 952881702 MLVAEPFHTBHTTM-ZETCQYMHSA-N 230.308 2.537 0 50 BFAA Cc1ccc(CN2CCC[C@@]3(CCC[C@H]3O)C2)o1 1704305529 XEWPSWIGNALXGE-CABCVRRESA-N 249.354 2.715 0 50 BFAA COc1cccc(-c2nncc(C)c2C)c1OC 2100554764 BIWNRKAUHPPGSG-UHFFFAOYSA-N 244.294 2.778 0 50 BFAA CCC(=O)NC(=S)Nc1cccc(C)c1C 359659 MHGWAZHLWDFWRV-UHFFFAOYSA-N 236.340 2.526 0 50 BFAA CO[C@H]1CC/C=C/CC/C=C/CC[C@H]1O 409823 NZJRBFVCZFRVNJ-BOPCSFOUSA-N 210.317 2.829 0 50 BFAA CC1CCN(CCC(=O)c2ccc(O)cc2)CC1 758176 STBLKXKOLVJJAU-UHFFFAOYSA-N 247.338 2.697 0 50 BFAA CCCNC(=O)Nc1cc(C)ccc1C 2172134 NDVDACOFVKOYCA-UHFFFAOYSA-N 206.289 2.835 0 50 BFAA CN(C)CCCOc1cccc(Cl)c1 2823164 LGBBDZXRVFTQNU-UHFFFAOYSA-N 213.708 2.671 0 50 BFAA CCCCCC(=O)n1nnc2ccccc21 3065199 GMGRODQXAQKKRE-UHFFFAOYSA-N 217.272 2.652 0 50 BFAA C[C@H](Oc1cccc(C(F)(F)F)c1)C(=O)O 6007559 DNJHPYCYAWQQGH-LURJTMIESA-N 234.173 2.557 0 50 BFAA in-vitro O=C(O)/C=C\c1ccccc1Br 12433075 OMHDOOAFLCMRFX-WAYWQWQTSA-N 227.057 2.547 0 50 BFAA CC[C@H](CO)NCc1cn(CC)c2ccccc12 20935031 RHBHXDSULNCMPD-CYBMUJFWSA-N 246.354 2.522 0 50 BFAA O=C(O)c1cccc2[nH]cc(Br)c12 42684390 ODMUJAAPJVSJQE-UHFFFAOYSA-N 240.056 2.629 0 50 BFAA in-vitro CCCC[C@@H]1CCCN1Cc1ccc(CO)o1 65508739 YIBCFNLRWRRYLY-GFCCVEGCSA-N 237.343 2.927 0 50 BFAA Cc1cc(Cl)cc(N)c1Br 146260178 JKVBVPILHGUERH-UHFFFAOYSA-N 220.497 2.993 0 50 BFAA CCOC(=O)c1ocnc1-c1ccccc1 199819294 OVAJZBVNHHVSFN-UHFFFAOYSA-N 217.224 2.518 0 50 BFAA COc1cc(Br)cc(F)c1C(C)=O 238453218 FDKYWXBPIFPHFL-UHFFFAOYSA-N 247.063 2.799 0 50 BFAA Nc1ccc(OC(F)F)cc1C(F)(F)F 258833726 LJANQNKQAWVRFO-UHFFFAOYSA-N 227.132 2.889 0 50 BFAA O=C(C1CC2(CCC2)C1)N1CCC=C(F)C1 335497490 RYEKIRLVIDGVCH-UHFFFAOYSA-N 223.291 2.652 0 50 BFAA CONC(=O)[C@H]1CCC(C)(C)c2ccccc21 1875253603 ZPFHHSCCJMVVMA-NSHDSACASA-N 233.311 2.519 0 50 BFAA C[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 396444 RCHWQDWKFWXBOY-LLVKDONJSA-N 218.300 2.950 0 50 BFAA CCOc1ccc2c(C)c(C)c(=O)oc2c1 453822 DHCNDDIKPFLNAO-UHFFFAOYSA-N 218.252 2.809 0 50 BFAA biogenic C[C@@H](CN1CCCC[C@@H]1CO)c1ccccc1 2498771 WCNYIXOBJLGHRI-DZGCQCFKSA-N 233.355 2.637 0 50 BFAA Cn1c(-c2cccs2)nc2cc(N)ccc21 4543033 SERGHFHMIXGRGQ-UHFFFAOYSA-N 229.308 2.884 0 50 BFAA C[C@H](O)CNCc1ccc(-c2ccc(F)cc2)o1 4942863 RVSUHCFIFHCIAJ-JTQLQIEISA-N 249.285 2.556 0 50 BFAA C/C=C/c1ccc(OCCN(C)C)c(OC)c1 12343378 LVTSHDUJUWLXHQ-AATRIKPKSA-N 235.327 2.669 0 50 BFAA CC(C)(C)c1ccc(-c2cc(N)n[nH]2)cc1 15919747 FIMVEZWTACFRMZ-UHFFFAOYSA-N 215.300 2.956 0 50 BFAA in-vitro CCC[C@@H](C)NC(=O)Cc1ccc(F)cc1 16970674 FGMHRRFHKDNVGZ-SNVBAGLBSA-N 223.291 2.673 0 50 BFAA N[C@H](c1ccc(F)cc1)[C@H](N)c1ccc(F)cc1 19363803 DWKHQEHNAPMAGG-ZIAGYGMSSA-N 248.276 2.665 0 50 BFAA CC(C)(C)[C@@]12C=C[C@]1(C(C)(C)C)C(=O)[C@]2(C)O 22064390 PGVKVVAMESVVFG-RRFJBIMHSA-N 236.355 2.955 0 50 BFAA CC(C)(C)OC(=O)c1cc(Cl)ccn1 22200317 BSCMJQUASNXFIA-UHFFFAOYSA-N 213.664 2.690 0 50 BFAA COc1cc(I)ccc1C 28278643 JVKISKVALBFNFA-UHFFFAOYSA-N 248.063 2.608 0 50 BFAA in-vitro c1cncc(-c2cc(N3CCCCC3)ncn2)c1 32558449 KZPAFPVVZOHIJU-UHFFFAOYSA-N 240.310 2.529 0 50 BFAA Cc1ccc(C(=O)[C@H](C)N2CCCC2)cc1 33952403 APSJUNFBAXIXLK-LBPRGKRZSA-N 217.312 2.662 0 50 BFAA in-vitro OCCCc1ccc(Br)cc1F 60701444 FCONJJUHDSNWII-UHFFFAOYSA-N 233.080 2.513 0 50 BFAA in-vitro Clc1cn2cc(Br)ccc2n1 84251253 XVTNIOWQQGPGBC-UHFFFAOYSA-N 231.480 2.750 0 50 BFAA in-vitro Fc1ccc2nnn(-c3ccccc3)c2c1 85476361 FYPNUIWSHHSDST-UHFFFAOYSA-N 213.215 2.560 0 50 BFAA in-vitro Cc1nc2cc(Br)c(F)cc2[nH]1 86598668 LQUQFKLVEZSIDG-UHFFFAOYSA-N 229.052 2.773 0 50 BFAA in-vitro CNc1cc(Cl)ccc1C(=O)N1CCCC1 152049242 DNQORQMUBYNNTI-UHFFFAOYSA-N 238.718 2.618 0 50 BFAA CN1CCc2cc(Br)ccc2S1 238339325 LILVZWIFODKSKJ-UHFFFAOYSA-N 244.157 2.944 0 50 BFAA CCOC(=O)c1nnc(-c2ccc(C)cc2)s1 259591403 LJNBKTGXAUUZMH-UHFFFAOYSA-N 248.307 2.690 0 50 BFAA Cc1nc([C@H](C)Oc2ccccc2F)no1 334936963 YEVWCWRVGJETEN-ZETCQYMHSA-N 222.219 2.657 0 50 BFAA c1ccc2oc(-c3cnc4[nH]nnc4c3)cc2c1 426368408 YOHZKKZCNVPENL-UHFFFAOYSA-N 236.234 2.766 0 50 BFAA Nc1ccc(-c2ccc(-n3cccn3)cc2)nc1 426410447 GWNBNBXMYXVQST-UHFFFAOYSA-N 236.278 2.517 0 50 BFAA c1cc(CNCC[C@@H]2C[C@H]3CC[C@H]2C3)no1 634956853 VQOMIHWEHKNWPK-SDDRHHMPSA-N 220.316 2.591 0 50 BFAA CCOc1ccc(Cc2nc(C(C)C)n[nH]2)cc1 823376610 AARPZDBQHMKOMH-UHFFFAOYSA-N 245.326 2.918 0 50 BFAA CC(C)Oc1ccc(CN2CC[C@@H]2C)cc1CO 828817630 MCSUKCQVPJSGRN-LBPRGKRZSA-N 249.354 2.560 0 50 BFAA C=CC(=O)N1C[C@H](c2ccsc2)C[C@@H]1C 952834756 LECGJEFCAQCBFY-GXSJLCMTSA-N 221.325 2.639 0 50 BFAA NNc1ccc(OCc2ccccc2)cc1 1075939 UFZKWTITXBRSPK-UHFFFAOYSA-N 214.268 2.551 0 50 BFAA in-vitro COc1cccc(NC(=O)NC(C)(C)C)c1 1738954 UKRNORCTAUIYLC-UHFFFAOYSA-N 222.288 2.615 0 50 BFAA CCCCC(=O)NCc1ccc(C)cc1 2083626 BKANJGNJURCJCP-UHFFFAOYSA-N 205.301 2.801 0 50 BFAA CCCOc1c(Cl)cc(C=O)cc1OC 2767733 ZBXJCSOGXRWPJJ-UHFFFAOYSA-N 228.675 2.950 0 50 BFAA in-vitro CC(C)[C@@H]1OC[C@H]2Cc3ccccc3[C@@H]2O1 4005767 NOBNLHDWQDMAEA-MRVWCRGKSA-N 218.296 2.929 0 50 BFAA biogenic COc1ccc([C@@H](O)c2ccc(F)cc2)cc1 4255932 OPFPEZAJZHPSJX-AWEZNQCLSA-N 232.254 2.916 0 50 BFAA in-vitro CO[C@]1(c2ccccc2)OC(=O)c2ccccc21 4866401 WWROZRYLEDOUCU-OAHLLOKOSA-N 240.258 2.705 0 50 BFAA CCCNC(=O)Nc1cc(C)ccc1F 6727210 BFWDULUZUJJDKF-UHFFFAOYSA-N 210.252 2.666 0 50 BFAA CC(C)(C)n1ncc(-c2ccccc2)c1N 12381792 KVEBAUKFSAFDEN-UHFFFAOYSA-N 215.300 2.887 0 50 BFAA in-vitro CCCNC(=O)c1cc2ccccc2o1 16639658 TTZUHVLIJIAIOG-UHFFFAOYSA-N 203.241 2.573 0 50 BFAA CSc1cccc(-c2cc(C)nc(N)n2)c1 32558308 ZVKXINXXULPCTA-UHFFFAOYSA-N 231.324 2.756 0 50 BFAA CC(C)(N)c1cccc(Br)c1 33487128 WXAFGTXOIBNLNB-UHFFFAOYSA-N 214.106 2.643 0 50 BFAA in-vitro CC[C@@H](C)c1cc(N)n(-c2ccccc2)n1 34976191 BZDBAAGWKNWPCA-SNVBAGLBSA-N 215.300 2.968 0 50 BFAA IC1=CCCCC1 71773956 CAROGICRCNKEOD-UHFFFAOYSA-N 208.042 2.879 0 50 BFAA CCOC(=O)c1ccc(C(C)(C)C)nc1 91692428 KCHGPVFBVQUNQB-UHFFFAOYSA-N 207.273 2.556 0 50 BFAA in-vitro c1ccc(CCCCn2ccnc2)cc1 122411683 VLQXHSPYBGQSGF-UHFFFAOYSA-N 200.285 2.906 0 50 BFAA NC(=O)Nc1cccc(Cl)c1Br 225618676 LODLFJMKWADKQN-UHFFFAOYSA-N 249.495 2.593 0 50 BFAA NC(=O)c1cccc(CCc2ccc(F)cc2)c1 231395941 CLKOEOYKLXXPDM-UHFFFAOYSA-N 243.281 2.710 0 50 BFAA CCOc1ccc(C(F)(F)F)c(F)c1O 261493509 CMOBUFMSXYILBD-UHFFFAOYSA-N 224.153 2.949 0 50 BFAA CC1(C)C[C@@H]1C(=O)NCC1Cc2ccccc2C1 337441891 MTMJDTGFEJBCBS-CQSZACIVSA-N 243.350 2.564 0 50 BFAA CCn1nc(CC(C)C)nc1-c1ccc(C)n1C 952873700 YJOITJJWZWRIGW-UHFFFAOYSA-N 246.358 2.810 0 50 BFAA CC[C@]12C[C@@H]1CN(c1cnc3ccccc3n1)C2 1772808684 YITSHBJSQLXUFC-IAQYHMDHSA-N 239.322 2.866 0 50 BFAA Cc1cccc2c1c(-c1cncc(O)c1)nn2C 1857725162 LCGOUUXDBGKRLL-UHFFFAOYSA-N 239.278 2.649 0 50 BFAA C=CC(=O)N[C@@H]1C[C@@H]2CCCc3cccc1c32 1875366691 UNHRBJUUDIJSSC-WCQYABFASA-N 227.307 2.854 0 50 BFAA C[C@@H]1S[C@H](c2ccc(Cl)cc2)NC1=O 205672 ICYPBIOPOTZPGH-QUBYGPBYSA-N 227.716 2.590 0 50 BFAA CCOC(=O)CCCCCCCC(=O)OCC 1690605 CQMYCPZZIPXILQ-UHFFFAOYSA-N 244.331 2.843 0 50 BFAA biogenic CCCNCCCCCCNCCC 1726574 HATUUAQLQWALQM-UHFFFAOYSA-N 200.370 2.546 0 50 BFAA in-vitro CC(=O)c1cnc(NCc2ccccc2)nc1C 2342990 MGXMWSLZHFSKAX-UHFFFAOYSA-N 241.294 2.600 0 50 BFAA COC(=O)[C@@H]1[C@H](C=C(Cl)Cl)C1(C)C 4261951 QJOOIMSFFIUFKX-FSPLSTOPSA-N 223.099 2.751 0 50 BFAA in-vitro Cc1cc(=O)[nH]c2c1c(C)nn2C1CCCCC1 13113788 OFKWMESPTPUKLE-UHFFFAOYSA-N 245.326 2.847 0 50 BFAA Cc1ccnc([C@](C)(O)c2ccccc2)c1 15781931 HRPTXZBMBLGKJS-CQSZACIVSA-N 213.280 2.646 0 50 BFAA COc1ccc(CN2CCC[C@H](C)C2)c(OC)c1 16662761 DHDGUMNSZWJMRG-LBPRGKRZSA-N 249.354 2.936 0 50 BFAA O=C1O[C@@H]2CCCC[C@@H]2[C@@H]1c1ccccc1 17312074 NHZLOUXGQVISND-XQQFMLRXSA-N 216.280 2.886 0 50 BFAA CCOc1ccccc1NC(=O)c1coc(C)n1 22538204 UCKQZZASXIGSGB-UHFFFAOYSA-N 246.266 2.634 0 50 BFAA Oc1nc(Cl)nc2cccc(Cl)c12 26899496 NMCPFNYWLIXCSX-UHFFFAOYSA-N 215.039 2.642 0 50 BFAA Cc1nccc(-c2coc3ccccc3c2=O)n1 32573241 LVLQGTJMBUNTTN-UHFFFAOYSA-N 238.246 2.558 0 50 BFAA Nc1ccc2c(Cl)cc(Cl)nc2n1 34431401 NEAYOFOFEATUKC-UHFFFAOYSA-N 214.055 2.519 0 50 BFAA CC(C)Oc1ccc(CNC(=O)C(C)C)cc1 45431029 GHDJOGKFSWBVQX-UHFFFAOYSA-N 235.327 2.746 0 50 BFAA Nc1cnc(-c2ccc(F)cc2Cl)cn1 67846638 VCRQOYYAVFTFLA-UHFFFAOYSA-N 223.638 2.518 0 50 BFAA CSc1cccc(CN(CCN)C(C)C)c1 67947556 MFNJTBZPXGHDRR-UHFFFAOYSA-N 238.400 2.578 0 50 BFAA O=C(COc1ccccc1)NCC1=CCCCC1 72442287 JXDFCTYFGBUUOV-UHFFFAOYSA-N 245.322 2.682 0 50 BFAA CC(C)Oc1ncccc1C(F)(F)F 198777951 FNKJAKZGFNSIFE-UHFFFAOYSA-N 205.179 2.888 0 50 BFAA Cc1cccc([C@H]2CCCCCN2CC(=O)O)c1 237727987 OHKDWZKFTWEGII-CQSZACIVSA-N 247.338 2.997 0 50 BFAA O=C(Nc1nccs1)[C@@H]1[C@H]2CCCC[C@H]21 239274992 BAWKEKVDOTXEOU-BRPSZJMVSA-N 222.313 2.518 0 50 BFAA O=C(O[C@H]1CCOc2ccccc21)c1ccoc1 241515511 OFXQNCWLVSKZRF-ZDUSSCGKSA-N 244.246 2.960 0 50 BFAA C1CCC(N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CC1 340518688 QVDFNILQWNDXDK-BFHYXJOUSA-N 235.371 2.866 0 50 BFAA Cc1ccc2n[nH]cc2c1[C@H]1CNC[C@H](C)C1 757216112 XSVSDLGPQNDFIA-MWLCHTKSSA-N 229.327 2.584 0 50 BFAA Cc1cc(C)n(C[C@H](C)N(C)Cc2ccoc2)n1 1506431667 UNAODZYSJJTGAX-ZDUSSCGKSA-N 247.342 2.613 0 50 BFAA CCc1ccc(-n2nc3ccc(N)cc3n2)cc1 178824 CBEUCAOGCWMURO-UHFFFAOYSA-N 238.294 2.565 0 50 BFAA O=C(O)c1cc2ccccc2nc1Cl 380537 XFSORZYTTCOBFN-UHFFFAOYSA-N 207.616 2.586 0 50 BFAA in-vitro CC(C)c1ccc(C(=O)Nc2nncs2)cc1 382952 KDTIUDNOXAQCSP-UHFFFAOYSA-N 247.323 2.914 0 50 BFAA COc1ccc([C@H]2CCCC[C@@H]2O)cc1 393739 FHVVYVTWZBXZBN-OLZOCXBDSA-N 206.285 2.714 0 50 BFAA CCCC(CCC)(C(=O)OCC)C(=O)OCC 1640006 NNDOHYGFLASMFR-UHFFFAOYSA-N 244.331 2.699 0 50 BFAA in-vitro COc1ccc(C=O)cc1O[C@H]1C=CCCC1 2571517 OWNCBDUCJKRVEB-LBPRGKRZSA-N 232.279 2.995 0 50 BFAA CN1CCC(NC23CC4CC(CC(C4)C2)C3)CC1 4022073 ZYXBTXPCMTYJSD-UHFFFAOYSA-N 248.414 2.639 0 50 BFAA Cc1nc(-c2ccc(OCC(=O)O)cc2)cs1 4553626 WSMWPHJTLBRXHI-UHFFFAOYSA-N 249.291 2.582 0 50 BFAA Cc1ccc(C(=O)n2nc(C)c(C)c2C)cc1 10155521 OFSIYEVBTKLAMD-UHFFFAOYSA-N 228.295 2.805 0 50 BFAA Sc1nc2cc(Br)ccc2o1 39123356 YFFBNUPHVZYFQL-UHFFFAOYSA-N 230.086 2.879 0 50 BFAA in-vitro COc1cc(C(F)(F)F)cc(Cl)n1 44154544 FWEFQJNETFIPKG-UHFFFAOYSA-N 211.570 2.762 0 50 BFAA CSc1nc2nccc(-c3ccsc3)n2n1 57530969 JZYRGNDJALBQGL-UHFFFAOYSA-N 248.336 2.575 0 50 BFAA Cc1ccc(F)c(-c2nc(C)ccc2C(N)=O)c1 67773455 ISUCKMZSVMBOLO-UHFFFAOYSA-N 244.269 2.603 0 50 BFAA CCCCc1c(C)[nH]c(C(=O)OCC)c1O 71773639 VCZQIMXCBMLBTP-UHFFFAOYSA-N 225.288 2.548 0 50 BFAA CC[S@](=O)c1cccc(Br)c1 74937761 KTAYYVGVOVUOOL-LLVKDONJSA-N 233.130 2.577 0 50 BFAA in-vitro Cc1cccc(-n2ncc3c2CCC[C@H]3N)c1C 91693928 ZTYYBMKATULDIH-CYBMUJFWSA-N 241.338 2.825 0 50 BFAA CCC(=O)[C@@](C)(CCN(C)C)c1ccccc1 96026402 CUASRJPXHLAQCG-HNNXBMFYSA-N 233.355 2.875 0 50 BFAA CO[C@@H]1C(Br)=C[C@@H]2[C@@H]1[C@H]1C=C[C@H]2C1 104307259 KGGLAJNQSFOHCY-MVBDTIADSA-N 241.128 2.732 0 50 BFAA CC1(C)CCC(Br)=C(CO)C1 168118878 HDNZYMKCYWLHGA-UHFFFAOYSA-N 219.122 2.838 0 50 BFAA Cc1cccc(CC(=O)N2CCS[C@H](C)C2)c1 171567407 IGSYUMKFIDQHAI-GFCCVEGCSA-N 249.379 2.501 0 50 BFAA C[C@@H]1CN(Cc2ccon2)c2cccc(F)c2O1 185981669 AHNDCUQATPKRFC-SECBINFHSA-N 248.257 2.601 0 50 BFAA CC(C)C(CNCCc1cnccn1)C(C)C 241965747 UVGYSROXDNZLHP-UHFFFAOYSA-N 235.375 2.537 0 50 BFAA CCOc1ccc([C@H](C)NC(=O)[C@@H]2C[C@H]2C)cc1 244842361 UPIVXKPPLYIXHK-UHIISALHSA-N 247.338 2.919 0 50 BFAA CCN(Cc1ccncc1C)C[C@@H]1CCCCO1 252485473 GWEVARWNBXVYEP-HNNXBMFYSA-N 248.370 2.781 0 50 BFAA COCCN1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 367540342 KTHQMXQXNYLSPU-OAGGEKHMSA-N 245.366 2.901 0 50 BFAA FCCC1CCN(c2ncnc3[nH]ccc23)CC1 631448353 LNIRWRBWRLMGQL-UHFFFAOYSA-N 248.305 2.534 0 50 BFAA Cc1nnc(NCC(C)(C)c2ccncc2)s1 714302001 CFALIRKFVNCCNJ-UHFFFAOYSA-N 248.355 2.631 0 50 BFAA Cc1nc(CNCc2cc(C)c(C)o2)cs1 952862693 PTXXAFAJYBYVGT-UHFFFAOYSA-N 236.340 2.951 0 50 BFAA Cc1ccc(C(=O)Nc2nccn2C)cc1Cl 1529198622 GONXMZQBMLVCCP-UHFFFAOYSA-N 249.701 2.634 0 50 BFAA O=C(O)c1cccc(-c2nccn2C2CC2)c1 1875251638 XSURHVKRUKDDNL-UHFFFAOYSA-N 228.251 2.583 0 50 BFAA CCOc1ccc(C(=O)N2CCC[C@@H](C)C2)cc1 29962 XJNLLSORCZJKTE-GFCCVEGCSA-N 247.338 2.957 0 50 BFAA CCOc1ccc2c(C)cc(=O)oc2c1C 68808 OUVIJCNGGNDYHX-UHFFFAOYSA-N 218.252 2.809 0 50 BFAA S=C(NCC1CCCCC1)Nc1cccnc1 112371 WPJMQPDQKNHQOS-UHFFFAOYSA-N 249.383 2.948 0 50 BFAA Cc1occc1C(=O)Nc1cccc(F)c1 375731 FKDUQTFAPRNUST-UHFFFAOYSA-N 219.215 2.979 0 50 BFAA CCC(=O)Nc1ccc(OC)c(Cl)c1 444351 CEPWURRBYKEHIZ-UHFFFAOYSA-N 213.664 2.697 0 50 BFAA Nc1ccc2ncsc2c1Br 2580907 NXVRHVCMVAAPCY-UHFFFAOYSA-N 229.102 2.641 0 50 BFAA in-vitro COc1ccc(-c2csc(C=O)n2)cc1 2582744 IMOHBXSAZWFMHK-UHFFFAOYSA-N 219.265 2.631 0 50 BFAA in-vitro Nc1cccc(OCc2ccc(F)cc2)c1 4418086 GRPRJKHUMLXCMJ-UHFFFAOYSA-N 217.243 2.987 0 50 BFAA in-vitro CCOC(OCC)C(C)(C)C(OCC)OCC 5858440 VUFSCSMOKMPDLE-UHFFFAOYSA-N 248.363 2.811 0 50 BFAA CCCCS(=O)(=O)Nc1ccc(CC)cc1 6706437 IIBSLUSLOFXLDN-UHFFFAOYSA-N 241.356 2.791 0 50 BFAA COC(=O)c1ccc2[nH]c(C)c(C)c2c1 9552119 NFVUZOSPLNRNFF-UHFFFAOYSA-N 203.241 2.571 0 50 BFAA O=C(O)c1ccc(CNC2CCCCC2)cc1 10436521 NMZAPQKBSIJTLM-UHFFFAOYSA-N 233.311 2.807 0 50 BFAA COc1ccc(O)c(-c2cccc(C(=O)O)c2)c1 65336988 MAPDAJJJYRUXGN-UHFFFAOYSA-N 244.246 2.766 0 50 BFAA in-vitro CC1(C)CC(=O)C(SC(F)(F)F)C(=O)C1 100398823 YDOQORTWZHTGLJ-UHFFFAOYSA-N 240.246 2.566 0 50 BFAA COc1ccc(OC)c2c1[C@H]1CC[C@H]2[C@](C)(O)C1 104290965 YKNJCAHIBWVXLD-FEUHOPSXSA-N 248.322 2.820 0 50 BFAA CNc1cc(F)cc(Br)c1 106882247 DQTASYLCRXVLTH-UHFFFAOYSA-N 204.042 2.630 0 50 BFAA in-vitro CSc1nc(Cl)c(F)c(Cl)n1 115445739 WFTWCTATXRCZAU-UHFFFAOYSA-N 213.064 2.644 0 50 BFAA CSC[C@](C)(O)CN[C@H](C)C1CCCCC1 165352018 HTSWSSYOEDTCFV-DGCLKSJQSA-N 245.432 2.659 0 50 BFAA Cc1[nH]c2c(Cl)nc(Cl)nc2c1C 238479477 RYSYCCYRIAPKET-UHFFFAOYSA-N 216.071 2.882 0 50 BFAA Oc1ccccc1-c1noc(C2CCC2)n1 238728343 OWVRZJLMAWPEES-UHFFFAOYSA-N 216.240 2.710 0 50 BFAA CC[C@H](NC(=O)[C@H]1C[C@H]1C)c1ccccc1 245226464 YMQQSDJUYGKVDD-WXHSDQCUSA-N 217.312 2.910 0 50 BFAA c1cc(CN2CCC[C@@H]3CCC[C@H]32)ccn1 247481065 KCPTVEHSTGSNPH-UONOGXRCSA-N 216.328 2.846 0 50 BFAA CCCC(=O)Nc1cccc([C@H](C)C(=O)O)c1 263206316 KSMAUBALPYFGCQ-VIFPVBQESA-N 235.283 2.613 0 50 BFAA O=C(C1=CCCC1)N1[C@H]2CCC[C@H]1CC2 336457835 SJFZPORXMHVTRQ-RYUDHWBXSA-N 205.301 2.640 0 50 BFAA C1C[C@@H](c2noc(C[C@@H]3C[C@H]4CC[C@H]3C4)n2)CO1 347643598 AOUICCJJOYKRGJ-YFKTTZPYSA-N 248.326 2.552 0 50 BFAA CC[C@@H](NC(=O)CC(C)=C(C)C)[C@@H](O)C(C)C 585132217 QQJLGKIRUHUJEX-OCCSQVGLSA-N 241.375 2.645 0 50 BFAA CC(C)NCc1cncc(C(F)(F)F)c1 725243716 DWUDNHBIJLBZNU-UHFFFAOYSA-N 218.222 2.598 0 50 BFAA C=CC(=O)N1CCC[C@]1(C)Cc1ccccc1F 863971202 ISHRJUJQECUELM-OAHLLOKOSA-N 247.313 2.935 0 50 BFAA C=CC(=O)NC[C@H]1C[C@@]12CCCc1ccccc12 888102152 IWRZTNVTIBVOAG-CJNGLKHVSA-N 241.334 2.583 0 50 BFAA CCc1nccc(CNC[C@@H]2CC2(CC)CC)n1 952873643 YDJIWUXFPOMJKV-LBPRGKRZSA-N 247.386 2.955 0 50 BFAA CN(C)c1ncccc1-c1c[nH]c2nccc-2c1 1240393612 VEPNHIUWXJAQBS-UHFFFAOYSA-N 238.294 2.643 0 50 BFAA CC[C@@H](C)NCc1c(C(=O)O)[nH]c2ccccc12 1776003311 INKGOMGLRLMGLM-SECBINFHSA-N 246.310 2.754 0 50 BFAA c1coc(-c2nccn2Cc2cscn2)c1 1875251158 ODRBASOBDBGYAH-UHFFFAOYSA-N 231.280 2.648 0 50 BFAA COc1cc(N)ccc1NC(=O)c1cccs1 39403 VHUBZFLMNOXBJF-UHFFFAOYSA-N 248.307 2.591 0 50 BFAA COC(=O)Nc1nc2ccc(C)cc2s1 336410 LXWKFOJGSXRJTB-UHFFFAOYSA-N 222.269 2.783 0 50 BFAA O=C(O)[C@@H](c1ccccc1)[C@@H](O)c1ccccc1 343612 SHLDFCNQGMQVSJ-KBPBESRZSA-N 242.274 2.588 0 50 BFAA CN(C(=O)c1ccccc1N)C1CCCCC1 377017 HRHAAZQULBGFAE-UHFFFAOYSA-N 232.327 2.674 0 50 BFAA COc1ccc(NC(=O)CC2CCC2)cc1 446478 NMLFUFGWMFFQEY-UHFFFAOYSA-N 219.284 2.824 0 50 BFAA Cc1cc(O[C@H](C)C(=O)O)cc(C)c1Cl 2526135 OGSDXLUKTYSYNE-MRVPVSSYSA-N 228.675 2.809 0 50 BFAA in-vitro CCOC(=O)c1c(OCC)cccc1OCC 2581135 QMVQTFWOHMQDQM-UHFFFAOYSA-N 238.283 2.661 0 50 BFAA CN(C)Cc1ccccc1[C@@H](O)c1ccccc1 3683801 OBNXQHGFWUMHCO-INIZCTEOSA-N 241.334 2.830 0 50 BFAA CCc1c(C)c(=N)c2ccccc2n1C 4321451 PZWRJRCMVZQVJZ-UHFFFAOYSA-N 200.285 2.529 0 50 BFAA biogenic CCCNC(=O)CSCc1ccc(C)cc1 4690755 GFVJYZJUPYBTAG-UHFFFAOYSA-N 237.368 2.754 0 50 BFAA CCCNC(=O)[C@@H](C)Oc1cccc(Cl)c1 5468592 GFQZRWARHUUGKQ-SECBINFHSA-N 241.718 2.634 0 50 BFAA Fc1cccc(CSc2ncccn2)c1 6331334 JBFFEXXWGGDBCN-UHFFFAOYSA-N 220.272 2.908 0 50 BFAA COC(=O)c1cncc(-c2cccs2)c1 22201026 RDFRFBDTMUDSRT-UHFFFAOYSA-N 219.265 2.597 0 50 BFAA in-vitro CC(C)(C)c1nc(-c2cccc(C(=O)O)c2)no1 34456336 ZYGDISPYCSVBNE-UHFFFAOYSA-N 246.266 2.732 0 50 BFAA CC(C)n1cc(C(=O)O)c2ccccc21 38762033 KJYJJNGAPCAIHG-UHFFFAOYSA-N 203.241 2.920 0 50 BFAA biogenic C[C@@H]1CCC[C@]2(C1)NC(=O)c1ccccc1N2 66128176 QFNGBFKANBGZQH-QMTHXVAHSA-N 230.311 2.748 0 50 BFAA c1ccc(-c2c[nH]nc2[C@H]2CCCNC2)cc1 67649471 AUBLNMKFRQYYDM-LBPRGKRZSA-N 227.311 2.544 0 50 BFAA CCOC(=O)c1ccc(-c2ccc(N)nc2)cc1 74938266 PVTSDRPHLCKQHO-UHFFFAOYSA-N 242.278 2.508 0 50 BFAA in-vitro CCOC(=O)[C@@H]1CC=C(Br)CC1 85477139 JMGPAKUOUAFRNQ-SSDOTTSWSA-N 233.105 2.628 0 50 BFAA in-vitro CC(C)c1nc(-c2cccc(N(C)C)c2)n(C)n1 95517464 VRUMVQMXKHYYNT-UHFFFAOYSA-N 244.342 2.672 0 50 BFAA Clc1nn([C@H]2CCCCO2)c2ncccc12 95631281 ZZQKCJGYBPSTKZ-SECBINFHSA-N 237.690 2.784 0 50 BFAA in-vitro Cc1cccc([S@](=O)C(F)(F)F)c1 169112941 MJYMQSHSFHXPIP-CYBMUJFWSA-N 208.204 2.622 0 50 BFAA Cc1ccnc(NC(=O)[C@H](C)c2ccccc2)n1 194676722 VDCUXWNQGMTNIO-LLVKDONJSA-N 241.294 2.527 0 50 BFAA NCC1(COCc2ccccc2)CCCC1 230086188 UACFDLLOFQJTQW-UHFFFAOYSA-N 219.328 2.722 0 50 BFAA C[C@@H](CN1CCCC[C@H]1CO)c1ccccc1 248176270 WCNYIXOBJLGHRI-ZFWWWQNUSA-N 233.355 2.637 0 50 BFAA O=C(N[C@H]1CC=CCC1)[C@H]1CC12CCCC2 336346841 BRJIQGRHOJNZJJ-NWDGAFQWSA-N 219.328 2.792 0 50 BFAA COc1ccc(F)c(-c2n[nH]c(C3CCC3)n2)c1 426370358 XQWDBUVZJWRHIR-UHFFFAOYSA-N 247.273 2.887 0 50 BFAA O=C(Nc1cccnc1)N1CC[C@H](C2CCC2)C1 666333358 UBWKEFSKVSDUDS-LBPRGKRZSA-N 245.326 2.736 0 50 BFAA Cc1c(C(=O)N2C[C@H]3CCC[C@@H](C3)C2)ccn1C 670460129 DFHGKYVDPAWHKT-STQMWFEESA-N 246.354 2.596 0 50 BFAA C=CC(=O)N(C1CCC(C)CC1)C1CC1 1335860656 SDRHSNWICGQDAU-UHFFFAOYSA-N 207.317 2.742 0 50 BFAA CCc1nc2cc(-c3ccncc3)cnc2[nH]1 1506421945 LVEFKSVFRJCMLH-UHFFFAOYSA-N 224.267 2.582 0 50 BFAA O=C(O)c1ccccc1-c1ccccc1C(=O)O 105146 GWZCCUDJHOGOSO-UHFFFAOYSA-N 242.230 2.750 0 50 BFAA in-vitro NC(=O)OCC1c2ccccc2-c2ccccc21 156910 ZZOKVYOCRSMTSS-UHFFFAOYSA-N 239.274 2.894 0 50 BFAA biogenic,in-vitro O=Cc1c[nH]c2ccc(Br)cc12 163541 PEENKJZANBYXNB-UHFFFAOYSA-N 224.057 2.743 0 50 BFAA biogenic,in-vitro Cc1ccc([C@H]2NC(=O)c3ccccc3N2)cc1 165046 ZRJPAELTYZGKSY-CQSZACIVSA-N 238.290 2.849 0 50 BFAA O=C(OCc1cncs1)c1ccccc1 1403713 LWSYXDOLEIYNDH-UHFFFAOYSA-N 219.265 2.500 0 50 BFAA NC(=O)N(c1ccccc1)c1ccccc1 1648197 XKAFKUGMXFMRCC-UHFFFAOYSA-N 212.252 2.903 0 50 BFAA CN(CCOC(=O)c1cccs1)C(C)(C)C 1796099 GXARBTGXMYQUJA-UHFFFAOYSA-N 241.356 2.635 0 50 BFAA Cc1ccc(OCCCN(C)C)cc1C 2824215 NNOUUDHCDIQDRU-UHFFFAOYSA-N 207.317 2.634 0 50 BFAA CSCCC(=O)Nc1ccc(C(C)=O)cc1 4997108 NMPJWUVIRVWNHY-UHFFFAOYSA-N 237.324 2.581 0 50 BFAA CCc1n[nH]c(SCc2ccc(OC)cc2)n1 5686698 TVNDHCGSGPVWET-UHFFFAOYSA-N 249.339 2.668 0 50 BFAA CC[C@H](C)NC(=O)COc1ccccc1Cl 5719104 VGDNQSHCVNJTPW-VIFPVBQESA-N 241.718 2.634 0 50 BFAA CC[C@H](C)NC(=O)Nc1ccc(NC(C)=O)cc1 13746317 OIHVHMDWOSHIFV-VIFPVBQESA-N 249.314 2.565 0 50 BFAA CN1C(=O)c2ccccc2N[C@H]1c1ccccc1 20936231 ROWPKSZILRECDM-CQSZACIVSA-N 238.290 2.883 0 50 BFAA CCCC(=O)N[C@H](C)c1ccc(F)cc1 40456248 JCGFZKPXJZWTQQ-SECBINFHSA-N 209.264 2.803 0 50 BFAA CCn1nc(C)cc1C(=O)C1CCCCC1 44126310 MUSCEJZNRNHXDL-UHFFFAOYSA-N 220.316 2.974 0 50 BFAA Nc1cc2c(F)ccc(Br)c2cn1 95643140 HUXWXPVYQOOSCC-UHFFFAOYSA-N 241.063 2.719 0 50 BFAA in-vitro O=C1CC(=O)CC(/C=C/c2ccccc2)C1 100014302 IHWMFTYONQTXED-VOTSOKGWSA-N 214.264 2.638 0 50 BFAA Oc1cccc2c1CCN2C[C@@H]1C[C@H]2C=C[C@H]1C2 170599994 ABVQJHGQKPSJJP-AVGNSLFASA-N 241.334 2.967 0 50 BFAA CCN1CC[C@H](NCc2ccccc2)[C@@H](C)C1 222074321 NJVYAWGVQIBTKH-ZFWWWQNUSA-N 232.371 2.507 0 50 BFAA N#CN(Cc1nccs1)c1ccc(F)cc1 225643661 RVYFLBALASKYAU-UHFFFAOYSA-N 233.271 2.770 0 50 BFAA Cc1cccc([C@@H]2CCCCCN2CC(=O)O)c1 237726316 OHKDWZKFTWEGII-AWEZNQCLSA-N 247.338 2.997 0 50 BFAA Cc1ccc(-c2cc(C(=O)O)c[nH]2)cc1 238555171 PFTWFFGQRQONFL-UHFFFAOYSA-N 201.225 2.688 0 50 BFAA in-vitro Cc1cccc(C(C)(C)NCc2nonc2C)c1 239366904 AGQNOFLPYCSLDT-UHFFFAOYSA-N 245.326 2.711 0 50 BFAA CCCCOc1cc(F)c(O)cc1F 261493499 CGUUJLCGHBDABY-UHFFFAOYSA-N 202.200 2.849 0 50 BFAA C=CC(=O)N1CC[C@@H](Cc2cccc(Cl)c2)C1 888098399 CMMWMULTFPNBRC-LBPRGKRZSA-N 249.741 2.917 0 50 BFAA Cc1ccc(F)c(CNc2nncn2C2CC2)c1 922659315 WKSYBSBTISATLC-UHFFFAOYSA-N 246.289 2.673 0 50 BFAA CC1(c2noc(-c3cccnc3)n2)CCC1 1616037952 HJFXUZJPOBUYTH-UHFFFAOYSA-N 215.256 2.573 0 50 BFAA Cc1cc(C(=O)NC[C@H]2CC[C@@H]3CCC[C@@H]32)no1 1857735940 DNCVEWYZAPMPGY-TUAOUCFPSA-N 248.326 2.539 0 50 BFAA C=CC(=O)N[C@H](C)Cc1ccc(Cl)s1 1875368473 TVSQQBSKLDKNHO-SSDOTTSWSA-N 229.732 2.635 0 50 BFAA Fc1ccc(I)cc1F 164594 KSASJELKLBIMSG-UHFFFAOYSA-N 239.990 2.569 0 50 BFAA in-vitro COc1cccc(CN2CCCCC2)c1OC 278042 JGDIJBUASDFYGL-UHFFFAOYSA-N 235.327 2.690 0 50 BFAA CCCC(=O)Nc1ccc(C(C)=O)cc1 354424 KJUCBOHGQYYIQU-UHFFFAOYSA-N 205.257 2.628 0 50 BFAA Cc1ccc(N2C(=N)SCC2=O)cc1Cl 5092894 VXFJKBRXLQQCIL-UHFFFAOYSA-N 240.715 2.663 0 50 BFAA CCc1ccc(C(=O)N2CCCCC2)cc1 16602219 GPFHRAWAPVANQW-UHFFFAOYSA-N 217.312 2.875 0 50 BFAA C[C@@H](Oc1ccccc1)c1csc(N)n1 19089728 IOYUQHJSBCNHPU-MRVPVSSYSA-N 220.297 2.865 0 50 BFAA in-vitro COc1cccc(-c2c[nH]c(C)n2)c1F 32576409 RXWNOFXCFPBZCX-UHFFFAOYSA-N 206.220 2.533 0 50 BFAA c1ccc(-c2cccc(Cn3cnnc3)c2)cc1 65370701 PUMMIHVJPIKYOS-UHFFFAOYSA-N 235.290 2.993 0 50 BFAA CCOc1cc(C(=O)OC)cc2occc12 72228352 TYAYPTAXRIVISM-UHFFFAOYSA-N 220.224 2.618 0 50 BFAA N[C@@H]1CCCCN(Cc2cc3ccccc3o2)C1 82098938 JGAYMITXXGMPHD-CYBMUJFWSA-N 244.338 2.746 0 50 BFAA O=S1(=O)C[C@@]23CC=CC[C@]2(CCCCC3)C1 101036479 CPKLIMBAKYFUMJ-CHWSQXEVSA-N 240.368 2.702 0 50 BFAA C=CC(=O)N1CCC[C@@H]1c1ccccc1OC 199100694 HPQUGEYSDYDSRW-GFCCVEGCSA-N 231.295 2.545 0 50 BFAA C=CC(=O)Nc1sc(C(C)C)nc1C 1775997722 QIEUIFBDYHEWDH-UHFFFAOYSA-N 210.302 2.699 0 50 BFAA C=CC(=O)NCc1ccc(OC)c2ccsc12 1875376437 WRXJVNRARXWNQN-UHFFFAOYSA-N 247.319 2.712 0 50 BFAA CC(=O)NC(c1ccccc1)c1ccccc1 126245 WEASGADRJWKQRE-UHFFFAOYSA-N 225.291 2.912 0 50 BFAA O=C(O)[C@@](O)(c1ccccc1)C1CCCCC1 267942 YTRNSQPXEDGWMR-CQSZACIVSA-N 234.295 2.539 0 50 BFAA in-vitro CC(=O)Nc1cc(Cl)ccc1Cl 394183 ICZFWTSENFTULW-UHFFFAOYSA-N 204.056 2.952 0 50 BFAA biogenic O=C(Cc1ccc2ccccc2n1)C(F)(F)F 2472162 LVPPHTPGIQXDGP-UHFFFAOYSA-N 239.196 2.909 0 50 BFAA COc1ccc([C@H]2CCCCN2)c(OC)c1 3734422 UPLHYQRIQVCOJT-GFCCVEGCSA-N 221.300 2.518 0 50 BFAA in-vitro CCN(CC)CCOc1ccc(C)cc1 4748115 FKNYTRBBGNUNOX-UHFFFAOYSA-N 207.317 2.716 0 50 BFAA CC(C)(C)OC(=O)NCc1cccs1 4943972 PJYFEMRXRXRMSS-UHFFFAOYSA-N 213.302 2.773 0 50 BFAA in-vitro Cc1cc(C)cc(OCCN2CCCC2)c1 4989678 JSRLALMXQFHMHU-UHFFFAOYSA-N 219.328 2.778 0 50 BFAA CCc1nnc(S)n1-c1ccc(C)cc1C 6395552 QVAWFNUYWNAYPU-UHFFFAOYSA-N 233.340 2.735 0 50 BFAA Cc1ccccc1NC(=S)N1CCCC1 8830239 CYSDOZYIQNNDFF-UHFFFAOYSA-N 220.341 2.788 0 50 BFAA CC[C@H](C)N1CCN(C[C@H]2CC=CCC2)CC1 19790192 YVMFYUQRJHTFPJ-GJZGRUSLSA-N 236.403 2.759 0 50 BFAA Cc1ccc(C[C@@H]2CCCNC2)cc1F 32099139 SLWUPZOJGRKMMK-LBPRGKRZSA-N 207.292 2.676 0 50 BFAA in-vitro CC(C)(C)OC(=O)N1[C@H]2CCC[C@@H]1CC(=O)C2 38339192 YEKYAQUJESJBFI-AOOOYVTPSA-N 239.315 2.508 0 50 BFAA Cc1ccccc1O[C@H](C)C(=O)N1CCCCC1 59267373 CQKBDWHOWFJPKA-CYBMUJFWSA-N 247.338 2.775 0 50 BFAA Cc1cc(Br)cc(C)c1C=O 85223401 JFRPWJDOGGLZFS-UHFFFAOYSA-N 213.074 2.878 0 50 BFAA in-vitro Cc1ccc(Cl)c(NCc2cnn(C)c2)c1 124468003 MYOZOMHOYNAXTL-UHFFFAOYSA-N 235.718 2.994 0 50 BFAA CO[C@H]1CCCN(CCCOc2ccccc2)C1 170820178 FOILAKBTSCEUNY-HNNXBMFYSA-N 249.354 2.566 0 50 BFAA C[C@@H](c1cccc(O)c1)[C@H]1CCCN(C)C1 258933456 QUQYNKHJLPHOKN-AAEUAGOBSA-N 219.328 2.838 0 50 BFAA CCCN(C(=O)c1ccnn1C)C1CCCCC1 952862354 OWPVGMMTRBHOMU-UHFFFAOYSA-N 249.358 2.605 0 50 BFAA O=C(O)c1ccc(OC(F)(F)F)c(F)c1F 1083811114 XZRSTEMHRVHLGP-UHFFFAOYSA-N 242.099 2.562 0 50 BFAA CN(C)c1ccc(-c2ccnn2C2CCC2)cn1 2325793068 DNOATFPLUSNZPZ-UHFFFAOYSA-N 242.326 2.736 0 50 BFAA COc1ccccc1NC(=O)Cc1ccccc1 236034 BGJHYZZCNRCJSA-UHFFFAOYSA-N 241.290 2.876 0 50 BFAA CC[C@H](C)[C@@H](C(=O)N(C)C)c1ccccc1 394450 NLMQKWIDHNGIQC-WCQYABFASA-N 219.328 2.905 0 50 BFAA CC(=O)Nc1ccc(OC(F)(F)Cl)cc1 472500 RNAQYXPBRBVEBQ-UHFFFAOYSA-N 235.617 2.813 0 50 BFAA CCCCC[C@@H](O)[C@H](CO)CCCC 1655725 KBGFEZLHKQYIPE-NWDGAFQWSA-N 202.338 2.726 0 50 BFAA CCOC(=O)c1ccc(Br)s1 2583440 PZNHMXAOMDQLLE-UHFFFAOYSA-N 235.102 2.687 0 50 BFAA in-vitro CCNCc1cnc(-c2ccccc2)s1 4298841 JCTWANRJXKVKEY-UHFFFAOYSA-N 218.325 2.920 0 50 BFAA CCc1nnc(S)n1-c1ccccc1Cl 6395643 YBFYJMRYCZQZIY-UHFFFAOYSA-N 239.731 2.772 0 50 BFAA CC(=O)c1c(O)cc(C)n(C2CCCCC2)c1=O 11990487 FCHZDWABXSQUQP-UHFFFAOYSA-N 249.310 2.570 0 50 BFAA CC[C@H](C)[C@@H](CO)N[C@@H](C)Cc1ccc(C)cc1 20906744 PEWPWRMMOHYGSZ-OFQRWUPVSA-N 249.398 2.923 0 50 BFAA Cc1ccc([C@H](O)C(F)(F)F)cc1C 42268179 DDTZKGMNCORHBB-VIFPVBQESA-N 204.191 2.899 0 50 BFAA CC(C)c1sc(-n2cccc2)nc1C(=O)O 66442694 GAQQZPDNPUZBOS-UHFFFAOYSA-N 236.296 2.755 0 50 BFAA O=C(O)c1cc(Cl)c2cc(F)ccc2n1 71025648 NKWCQHUSWMEVHN-UHFFFAOYSA-N 225.606 2.726 0 50 BFAA CC(C)N1CCC(c2ccc(N)cc2)CC1 116288304 CMTKUPVJBDAYNG-UHFFFAOYSA-N 218.344 2.857 0 50 BFAA in-vitro Cc1ccc(NCc2nc(C)c(C)[nH]2)c(C)n1 582615930 BISDSNDIYWTNRG-UHFFFAOYSA-N 230.315 2.650 0 50 BFAA Cc1ccc2n[nH]cc2c1[C@@H]1CCN[C@H](C)C1 757211160 KBEBSWFNTDUYOB-GHMZBOCLSA-N 229.327 2.727 0 50 BFAA c1cc(-c2ccc3c(c2)OCO3)c2cn[nH]c2c1 793367146 GXSXHOQIELLVPE-UHFFFAOYSA-N 238.246 2.959 0 50 BFAA c1ccc2nc(N[C@H]3C[C@H]4OCC[C@@H]34)ccc2c1 1565525311 JZBPKGYTHUSRGL-FPMFFAJLSA-N 240.306 2.824 0 50 BFAA Cc1nc(N2C[C@@H]3C[C@]3(C)C2)c2sccc2n1 1800409597 ITDDCTBSZCPYDZ-TVQRCGJNSA-N 245.351 2.846 0 50 BFAA CCCCCCOC(=O)[C@H]1C[N@@]1C(C)(C)C 1857666393 TZEBWZNLIOCPDF-BXUZGUMPSA-N 227.348 2.593 0 50 BFAA C=CC(=O)NCCCc1c(C)cccc1Cl 1875367279 LMWPDWNHZMGBFI-UHFFFAOYSA-N 237.730 2.883 0 50 BFAA CC(C)(C)c1cc(C(N)=O)cc(C(C)(C)C)n1 337889 YQSYGYRQJGOSBZ-UHFFFAOYSA-N 234.343 2.776 0 50 BFAA CC(C)c1ccc(-c2nnc(N)s2)cc1 449476 QEKWMJDRQOKJJS-UHFFFAOYSA-N 219.313 2.911 0 50 BFAA in-vitro CCn1c2ccccc2c2n[nH]c(=S)nc21 496163 ODYFFLRTRSEWAJ-UHFFFAOYSA-N 230.296 2.662 0 50 BFAA in-vitro Nc1ccc2c(c1)C(=O)Nc1ccccc1O2 2566912 RXLMVOAFOGXAGW-UHFFFAOYSA-N 226.235 2.627 0 50 BFAA Cc1nc(N(C)C)c2c3c(sc2n1)CCCC3 2818242 LSXRVNZCCFTPRP-UHFFFAOYSA-N 247.367 2.945 0 50 BFAA CC(C)(C)NCCCOc1ccccc1 2900408 LECLFJADDVFTRQ-UHFFFAOYSA-N 207.317 2.844 0 50 BFAA CCSc1nc2ccccc2n1CCN(C)C 5817694 XBBPFZXYYWNUBM-UHFFFAOYSA-N 249.383 2.710 0 50 BFAA CCc1cccc2c(C(=O)O)cc(C)nc12 5961999 JNKCJGCFXQNMTM-UHFFFAOYSA-N 215.252 2.804 0 50 BFAA in-vitro CCC(=O)Nc1ccccc1OC(F)F 9934686 HXCODFIJWHXFTC-UHFFFAOYSA-N 215.199 2.637 0 50 BFAA CCCC(=O)Nc1ccc(NC(=O)C2CC2)cc1 12404120 OLWDURPOTWEJTI-UHFFFAOYSA-N 246.310 2.774 0 50 BFAA CCCOc1ccc(C=O)cc1CN1CCCC1 13424679 MPNNQGFQYNPFSN-UHFFFAOYSA-N 247.338 2.884 0 50 BFAA CCCC(=O)Nc1ccccc1C(=O)NC(C)C 14009155 VDWAIUGPFFAUFK-UHFFFAOYSA-N 248.326 2.563 0 50 BFAA Cc1ccc([C@@H](CN)N2CCCCCC2)cc1 32522376 COBRLUMEMZKHLA-OAHLLOKOSA-N 232.371 2.871 0 50 BFAA OCCc1cccc(OCc2ccccc2)c1 44379959 RHHVCIKVRLMNFC-UHFFFAOYSA-N 228.291 2.800 0 50 BFAA in-vitro Cc1nc2c(-c3ccccc3)cnn2c(O)c1C 100381862 DDBBZSDOHARQTE-UHFFFAOYSA-N 239.278 2.719 0 50 BFAA Cc1ccc(CNC[C@H]2CCO[C@@H]2C(C)C)nc1 134390792 BVXMHQZOXQJSAY-UKRRQHHQSA-N 248.370 2.541 0 50 BFAA C[C@@H]1Cc2ccccc2[C@@H]1Nc1cnn(C)c1 157327329 IAIYKUVPTSCWJL-QMTHXVAHSA-N 227.311 2.766 0 50 BFAA O=C1CCCC[C@H]1C(=O)C1CCCCC1 219859944 NKYINBIJTKYRJI-LLVKDONJSA-N 208.301 2.895 0 50 BFAA Cc1cc(C(=O)O)c2c(c1)[C@@H](C)CCN2 225809689 ODQNXDWKMPHFDQ-QMMMGPOBSA-N 205.257 2.612 0 50 BFAA in-vitro CSc1ccc(N2CC[C@H]3CCCC[C@H]32)nn1 253618457 IJFVEPXYQQMYHC-GHMZBOCLSA-N 249.383 2.967 0 50 BFAA C[C@@H](c1ccccc1)N1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)O 257368502 KABHMPAVGAFIRM-DOERSZECSA-N 245.322 2.685 0 50 BFAA Cc1ccc([C@]2(C(=O)N3CCC3)CC2(C)C)cc1 299756714 DWNJACQCWKECIH-INIZCTEOSA-N 243.350 2.895 0 50 BFAA C(=C/C1CCCCC1)\c1cnc2ncnn2c1 426404417 WLPZRDCSNUJIQG-VOTSOKGWSA-N 228.299 2.718 0 50 BFAA Cc1ccc(NC(=O)N2CC[C@H](C3CC3)C2)cn1 677869277 WKJHIHHGUVGPRK-LBPRGKRZSA-N 245.326 2.654 0 50 BFAA CCC[C@@H]1CCC(=O)C[C@@H]1n1cccn1 725360900 KXQOGFZWZWWHDL-PWSUYJOCSA-N 206.289 2.594 0 50 BFAA C=CC(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C 952888241 PKWHJNNNWRYYJW-AAEUAGOBSA-N 215.296 2.577 0 50 BFAA C=CC(=O)Nc1ccn([C@@H](C)c2ccccc2)n1 1776000151 DLRSEWTWURTSEJ-NSHDSACASA-N 241.294 2.617 0 50 BFAA CC(C)c1cccc([C@H](C)NCCC(=O)O)c1 1776004809 YAPFVDBTEXXVEL-NSHDSACASA-N 235.327 2.935 0 50 BFAA CCOC(=O)c1[nH]c(C)c(CC)c1CC 56725 YXAABSBFWADBRO-UHFFFAOYSA-N 209.289 2.625 0 50 BFAA in-vitro COc1ccc(N[C@@H]2CCCCC2=O)cc1 398878 LTZCUDNVQLDYPS-GFCCVEGCSA-N 219.284 2.619 0 50 BFAA Cc1[nH]c2c(C)ccc(Cl)c2c1CCN 1235032 SIPAOIBEPJIPPY-UHFFFAOYSA-N 222.719 2.939 0 50 BFAA in-vitro OC[C@]12c3ccccc3[C@@H]3c4ccccc4[C@H]1[C@@H]32 1557291 HUSHTEIJWWUKCO-NXOAAHMSSA-N 234.298 2.789 0 50 BFAA COC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 2516065 SCHCPDWDIOTCMJ-ZCFIWIBFSA-N 249.093 2.934 0 50 BFAA in-vitro CCCC[C@]1(C)NC(=S)N(c2ccccc2)N1 2893207 IRIJHSJAVQLFSN-CYBMUJFWSA-N 249.383 2.792 0 50 BFAA O=C(Nc1cc(F)ccc1F)c1ccncc1 3611338 BKJCXINPVIIVSO-UHFFFAOYSA-N 234.205 2.612 0 50 BFAA Fc1ccc(CNc2ccc(Cl)nn2)cc1 6880586 KSLVFCHUZQYJNF-UHFFFAOYSA-N 237.665 2.881 0 50 BFAA in-vitro Cc1cc2cn[nH]c2cc1Br 14985796 YLLZDOJZLKUKEA-UHFFFAOYSA-N 211.062 2.634 0 50 BFAA in-vitro CCN(CCN(C)C)Cc1cc2ccccc2o1 19996609 SEICVYFAAHBSRA-UHFFFAOYSA-N 246.354 2.816 0 50 BFAA O[C@@H](c1c(F)cc(F)cc1F)C(F)(F)F 41661864 BQWMNKFPOUZELU-ZETCQYMHSA-N 230.107 2.700 0 50 BFAA Cc1noc(C)c1-c1cc(O)c(F)c(F)c1 65532420 FOMIAWQLHPCOCR-UHFFFAOYSA-N 225.194 2.942 0 50 BFAA Cn1ccc2c(-c3cccc(O)c3)ccnc21 72147065 BHDVFJNUZSSMBI-UHFFFAOYSA-N 224.263 2.946 0 50 BFAA CC(C)(C)OC(=O)N1CC[C@H](c2ccncc2)C1 95802915 LOTBGBMAQSVUKN-LBPRGKRZSA-N 248.326 2.806 0 50 BFAA in-vitro CC(C)S(=O)(=O)c1cccc(Cl)c1 96024741 IZGZMLDVYITHEE-UHFFFAOYSA-N 218.705 2.522 0 50 BFAA O=C(O)c1ccc2c(c1)CCCCS2 142621585 BURMFMQEVFNZHB-UHFFFAOYSA-N 208.282 2.813 0 50 BFAA Cc1cc(C(=O)O)cc(Br)c1C 144773499 UVUWHXIKIKBBOO-UHFFFAOYSA-N 229.073 2.764 0 50 BFAA CCCOC(=O)[C@@H](C)N(C)C1CCC(C)CC1 170639676 YVTBAUMCQXAQDM-OTTFEQOBSA-N 241.375 2.839 0 50 BFAA CCOc1ccc2c(c1)sc(=N)n2CC 196367934 YEFYGTQPQSAFNY-UHFFFAOYSA-N 222.313 2.601 0 50 BFAA CCOC(=O)C[C@@H]1CSc2cc(O)ccc21 201464076 HDLOSRDUJRIETJ-MRVPVSSYSA-N 238.308 2.535 0 50 BFAA in-vitro CC(=O)Nc1ccc(CN2CC=C(C)CC2)cc1 215659210 NFCIESTWGUJOCO-UHFFFAOYSA-N 244.338 2.797 0 50 BFAA c1cncc(-c2cccc(N3CCOCC3)c2)c1 224203458 AERWKSXXQSDSSK-UHFFFAOYSA-N 240.306 2.585 0 50 BFAA C[C@H]1CC[C@H](C)N1C(=O)CCC(F)(F)F 336035170 PDYFWLBWNPVSSQ-YUMQZZPRSA-N 223.238 2.728 0 50 BFAA Cc1cscc1CNC(=O)[C@@H]1CC1(C)C 347642046 JOQTVYCMWZNOHO-JTQLQIEISA-N 223.341 2.719 0 50 BFAA C=CC(=O)N[C@H](C)c1ccc2ncsc2c1 820436800 NALOEBFNEMVDOL-MRVPVSSYSA-N 232.308 2.660 0 50 BFAA CC[C@]12C[C@H]1CN(Cc1ccccc1C(=O)O)C2 1772815769 WARXVOHCFGTYLM-SWLSCSKDSA-N 245.322 2.617 0 50 BFAA Cc1ccc(C(=S)N2C[C@@H](C)O[C@H](C)C2)cc1 611599 DFDNXZXUIMJVLF-VXGBXAGGSA-N 249.379 2.780 0 50 BFAA c1ccc(OCCCCn2ccnc2)cc1 2493375 ODRFKWKSNLBXIO-UHFFFAOYSA-N 216.284 2.742 0 50 BFAA Nc1ccc(-c2ccc(N)c(F)c2)cc1F 3644841 LVNPGQZSPDFZNC-UHFFFAOYSA-N 220.222 2.796 0 50 BFAA in-vitro Fc1ccc(C[C@H]2NCCn3cccc32)cc1 3683718 PCKNAJCLRWOEFQ-CYBMUJFWSA-N 230.286 2.514 0 50 BFAA CCOc1cc(OCC)c2cc(C(=O)O)[nH]c2c1 4234970 RNFZHTBZFHZHGC-UHFFFAOYSA-N 249.266 2.664 0 50 BFAA c1ccc(CN2CCc3[nH]ccc3C2)cc1 6658172 RRLDTKNWNRBUBK-UHFFFAOYSA-N 212.296 2.573 0 50 BFAA in-vitro O[C@]12CCCC[C@@H]1[C@H](c1cccc(F)c1)NCC2 6658431 BPOGTJYMYUHWNX-ILXRZTDVSA-N 249.329 2.781 0 50 BFAA CC[C@@H](C)NC(=O)N1CCCCCCC1 13745933 NGZOPSUJVFCEIM-LLVKDONJSA-N 212.337 2.761 0 50 BFAA C[C@H]1CCCCN1Cc1cccc(N)c1 13997936 PVBWZYYMIBPJCR-NSHDSACASA-N 204.317 2.643 0 50 BFAA in-vitro COCc1cc(Br)cs1 34434175 QAOVKNAMURILRG-UHFFFAOYSA-N 207.092 2.657 0 50 BFAA C[C@H](CCCC(C)(C)O)NC(=O)c1ccccc1 38869554 SIKLNRKYQTZWLZ-GFCCVEGCSA-N 249.354 2.746 0 50 BFAA O=C(CCc1ccccc1Cl)NC1CC1 40160877 HRKRBYNIFPNVNH-UHFFFAOYSA-N 223.703 2.551 0 50 BFAA CCOC(=O)c1cnc2c(C)cc(C)cc2c1N 40174231 BXBBQVZTPPGMLA-UHFFFAOYSA-N 244.294 2.611 0 50 BFAA Nc1c(Br)cc(Cl)nc1Cl 44172060 VQPYQALRCSTFHV-UHFFFAOYSA-N 241.903 2.733 0 50 BFAA Brc1cnc(NC2CCCC2)nc1 65337525 IMDCVXSYAFPJTH-UHFFFAOYSA-N 242.120 2.594 0 50 BFAA in-vitro CCc1nc(-c2cccc3cccnc23)nn1C 426465482 PUNAFEWWFJJMEK-UHFFFAOYSA-N 238.294 2.593 0 50 BFAA C=CC(=O)N[C@H]1C[C@H](c2ccccc2C)C1 863970418 IYXGNVXPDBCQCX-HAQNSBGRSA-N 215.296 2.543 0 50 BFAA FC1(F)C[C@H]1Cn1ccnc1-c1cccnc1 1875249551 ANAOOQXYYIQOJX-JTQLQIEISA-N 235.237 2.600 0 50 BFAA O=C(CCc1ccccc1)Nc1ccncc1 327333 HCTYHMHSTZFBDN-UHFFFAOYSA-N 226.279 2.653 0 50 BFAA CCCC(=O)C1(c2ccccc2)CCNCC1 393573 QXFLUZNRIHBZHA-UHFFFAOYSA-N 231.339 2.677 0 50 BFAA in-vitro COc1cc(N)ccc1-c1ccc(N)cc1OC 993488 YJOAIOIVLVUPST-UHFFFAOYSA-N 244.294 2.535 0 50 BFAA O=C(NCc1ccccc1)Oc1ccccc1 1613161 FFXFWNLKXAIQRM-UHFFFAOYSA-N 227.263 2.975 0 50 BFAA CCOc1cc(OCC)c(OCC)cc1C=O 2163882 OQEPUQXAJPNVFJ-UHFFFAOYSA-N 238.283 2.695 0 50 BFAA CC(C)(C)OC(=O)Nc1ccc(CCO)cc1 2541622 LVAACBVNZRPHFE-UHFFFAOYSA-N 237.299 2.568 0 50 BFAA in-vitro COc1ccc(OCc2ccc(C=O)o2)cc1 2578421 CBUFSARKXGLUOM-UHFFFAOYSA-N 232.235 2.680 0 50 BFAA CCCN1CCC(N2CCC[C@@H](C)C2)CC1 3683505 JYOCLHUBQHEJPC-CYBMUJFWSA-N 224.392 2.593 0 50 BFAA Cc1oc(-c2cccc(Cl)c2)[n+]([O-])c1C 3913599 UJUXYRRHXSUHPG-UHFFFAOYSA-N 223.659 2.850 0 50 BFAA CN(C)CCOc1ccc(Cl)cc1Cl 4105118 RISMTVUERDEIAC-UHFFFAOYSA-N 234.126 2.934 0 50 BFAA Cc1nc(-c2cccc(CO)c2)cs1 4200650 KDZJEQBWBSZOEG-UHFFFAOYSA-N 205.282 2.611 0 50 BFAA in-vitro Cc1ccccc1NC(=O)N[C@H](C)[C@@H]1CCCO1 6726192 DHHJFEJPNKVFIM-YPMHNXCESA-N 248.326 2.684 0 50 BFAA CC(=O)c1cc(CN2CCCC2)cs1 19088895 GVRGMBBQSPKGIG-UHFFFAOYSA-N 209.314 2.547 0 50 BFAA in-vitro Nc1ccc(OCC(F)F)cc1C(F)(F)F 113272684 UIJQNKYVWPNNBW-UHFFFAOYSA-N 241.159 2.932 0 50 BFAA CS[C@@H](C)CC(=O)N1CCC2(CCC2)C1 170590910 OJFQOVLSKFMKSZ-JTQLQIEISA-N 227.373 2.531 0 50 BFAA Fc1ccc(C[C@@H]2CCNCC2(F)F)cc1 216401601 JXZCOOIFHRNTCT-JTQLQIEISA-N 229.245 2.613 0 50 BFAA COC(=O)[C@H]1[C@]23CC=CC[C@]12CCCC3 247814770 FNMFUSXRJMNISV-LMKPVCQUSA-N 206.285 2.686 0 50 BFAA Cc1nc(-c2ccc(Br)s2)no1 158927 ZNWQLJYQXULFQB-UHFFFAOYSA-N 245.101 2.869 0 50 BFAA CC[C@H](C)C(=O)Nc1ccc(OC)cc1 373296 WEEDBKYAROGPRB-VIFPVBQESA-N 207.273 2.680 0 50 BFAA CCNC(=O)NCc1cccc2ccccc12 398722 BIQPBNPRWLFXLA-UHFFFAOYSA-N 228.295 2.659 0 50 BFAA CCNC(=O)C(c1ccccc1)c1ccccc1 410060 HKNZSBGYCFOUHB-UHFFFAOYSA-N 239.318 2.955 0 50 BFAA O=Cc1cccn1-c1nc2ccccc2s1 1527312 JCPITNDUNCSNNZ-UHFFFAOYSA-N 228.276 2.900 0 50 BFAA CNC(=S)Nc1ccc2ccccc2c1 2886671 WYPIJUOJXRNXOG-UHFFFAOYSA-N 216.309 2.756 0 50 BFAA Nc1ccc(/C=C(/C(=O)O)c2ccccc2)cc1 4455988 JUNKSIZZYOCSGW-GXDHUFHOSA-N 239.274 2.894 0 50 BFAA biogenic O[C@@H]1CCCC[C@@H]1N1CC[C@@H](c2ccccc2)C1 13756215 LRWOETBLULBTDE-OWCLPIDISA-N 245.366 2.779 0 50 BFAA Cc1cc(C)c2c(c1)OC(=O)CC2(C)C 32223873 SZFAEJMEHIBRMS-UHFFFAOYSA-N 204.269 2.890 0 50 BFAA CC(C)c1ccc(N[C@H]2CCCNC2)cc1 43324063 JCPLSDGUWNBIAT-AWEZNQCLSA-N 218.344 2.974 0 50 BFAA Cc1cc(C)nc(NCc2cnc(C)c(C)c2)n1 65535034 CWKIBOQOMKRYSO-UHFFFAOYSA-N 242.326 2.717 0 50 BFAA C[C@@H]1C(=O)Nc2ccc(Br)cc21 100054914 PKOFFHLFYJVUMQ-YFKPBYRVSA-N 226.073 2.505 0 50 BFAA in-vitro C[C@@H](CNC1(C)CCOCC1)c1ccccc1 183868022 HOGSETWHSOSSMX-ZDUSSCGKSA-N 233.355 2.949 0 50 BFAA CCN(Cc1ccncc1)c1cccc(O)c1 191576493 YCEVBPNWINMCDU-UHFFFAOYSA-N 228.295 2.814 0 50 BFAA CCC1(c2noc(-c3cc(C)[nH]n3)n2)CCCC1 578409249 XZSGINDEIBAXPO-UHFFFAOYSA-N 246.314 2.990 0 50 BFAA C[C@H](n1ccnc1-c1cccc(F)c1)C1(O)CC1 1940197021 MONHMNSVFKTTSU-JTQLQIEISA-N 246.285 2.775 0 50 BFAA CSc1nccc(-c2ccsc2)n1 148718 PITDXEUQBUNWLJ-UHFFFAOYSA-N 208.311 2.927 0 50 BFAA Cc1cc(NC(=O)/C=C/c2cccs2)no1 376631 SDVGJCDEGVELKR-SNAWJCMRSA-N 234.280 2.696 0 50 BFAA COCCOC(=O)Nc1cccc(Cl)c1 1655932 FHSDRLPGTZZIQE-UHFFFAOYSA-N 229.663 2.535 0 50 BFAA NCc1ccc(OCc2ccc(F)cc2)cc1 4129643 UAZWSEVTDFFCDM-UHFFFAOYSA-N 231.270 2.863 0 50 BFAA in-vitro O=C(Nc1ccc2c(c1)CCCC2)[C@@H]1CCCO1 4751739 IEGQWRQNBZEMII-AWEZNQCLSA-N 245.322 2.683 0 50 BFAA c1coc(CNC[C@H]2OCCc3ccccc32)c1 19375506 FPGFMLPVJFJXNM-OAHLLOKOSA-N 243.306 2.683 0 50 BFAA O[C@@H](CNc1ccccc1)c1ccccc1 26719589 GGMOJBRNGQDSQN-AWEZNQCLSA-N 213.280 2.832 0 50 BFAA O=C(O)[C@@H]1CCc2ccc(Br)cc21 39206434 RMVRCSOJMLGDAG-MRVPVSSYSA-N 241.084 2.564 0 50 BFAA CN1[C@@H](CCc2ccccc2)OCC1(C)C 71773338 BXXIIAIIGOXHSG-CYBMUJFWSA-N 219.328 2.686 0 50 BFAA Cc1cc(Nc2cccc(C)c2C)nc(N)n1 72437183 ILWLAQUVJZHDBQ-UHFFFAOYSA-N 228.299 2.728 0 50 BFAA FC(F)(F)Cc1nc(Cl)cc(Cl)n1 82473711 CQADUTZVZPSGIY-UHFFFAOYSA-N 231.004 2.888 0 50 BFAA CC(C)c1nccn1Cc1cccc(N)c1 89223132 UYMHKRACCGCPQJ-UHFFFAOYSA-N 215.300 2.637 0 50 BFAA in-vitro O=C(C1=CCCCC1)N1C[C@H]2CCC[C@@H]2C1 130053774 LDTFQRAQFYPGOA-CHWSQXEVSA-N 219.328 2.745 0 50 BFAA CCOCSc1ncnc2ccccc12 170594938 ABZGGQQDDYAUEK-UHFFFAOYSA-N 220.297 2.716 0 50 BFAA CCOc1cccc2sc(=N)n(CC)c12 225520812 BPROQUYLVDDYQZ-UHFFFAOYSA-N 222.313 2.601 0 50 BFAA CCOc1ccc([C@H](C)NC(=O)[C@H]2C[C@H]2C)cc1 244842360 UPIVXKPPLYIXHK-SUNKGSAMSA-N 247.338 2.919 0 50 BFAA Cc1ccncc1CN1CCC(CF)CC1 295102660 TVFZPNWNKFSDQZ-UHFFFAOYSA-N 222.307 2.572 0 50 BFAA Cc1ncsc1NC(=O)C1(CF)CCC1 335394920 HCWVZAKQWUPLOU-UHFFFAOYSA-N 228.292 2.530 0 50 BFAA Cc1ccc2n[nH]cc2c1[C@H]1CC[C@H](C)CN1 757211946 KXPYYEOFEXIKDC-TVQRCGJNSA-N 229.327 2.932 0 50 BFAA C[C@H]1CC[C@@H]2C(C)(C)[C@@H]3C[C@@]12CC[C@@]3(O)CO 1077995424 QKTKMDSUFFRLDB-CUZKYEQNSA-N 238.371 2.582 0 50 BFAA biogenic CCOc1ccc(C(=O)NCc2ccco2)cc1 183723 VIFUNBNBLYQRGA-UHFFFAOYSA-N 245.278 2.608 0 50 BFAA O=C(Nc1ccccc1O)c1cccs1 255803 XEEJLVCDQOBGQB-UHFFFAOYSA-N 219.265 2.706 0 50 BFAA CC(C)(C)NC(=O)c1ccccc1Cl 260721 BYWGSUJLXJLBLY-UHFFFAOYSA-N 211.692 2.868 0 50 BFAA Cc1cc(C(=O)C(C)(C)NO)ccc1Cl 454571 KRBDGGPWMWGJMQ-UHFFFAOYSA-N 227.691 2.589 0 50 BFAA CC(C)(C)[C@H](O)/C=C/c1ccc2c(c1)OCO2 2005958 IBLNKMRFIPWSOY-VUDGCMKMSA-N 234.295 2.836 0 50 BFAA world c1ccc(OCCCN2CCCC2)cc1 2493395 DIERHWIKORHTHF-UHFFFAOYSA-N 205.301 2.551 0 50 BFAA O=C(O)[C@H]1CCCC[C@H]1C(=O)c1ccccc1 2570079 FLPQLUGZLPSVOG-NEPJUHHUSA-N 232.279 2.760 0 50 BFAA CCC[C@@H](NCC)C(=O)c1ccc(C)cc1 3631196 IKIANZXWCBSIGA-CYBMUJFWSA-N 219.328 2.956 0 50 BFAA in-vitro O=Cc1cc(Br)cc(Cl)c1O 3765052 XXFFEGBFFXHMTF-UHFFFAOYSA-N 235.464 2.621 0 50 BFAA CN(C)CCOc1ccc2ccccc2c1 4907361 ZGSQBSCXVDPEMV-UHFFFAOYSA-N 215.296 2.780 0 50 BFAA Cc1cccc(Nc2nnc(C)s2)c1 6704445 CEBLIBFXVSYDLY-UHFFFAOYSA-N 205.286 2.899 0 50 BFAA Cn1ncc2[nH]c(-c3ccccc3Cl)nc21 20919522 IFBPXENYCKULHY-UHFFFAOYSA-N 232.674 2.617 0 50 BFAA COc1ccc(-n2cccc2-c2ncc[nH]2)cc1 67789121 XOGVEZSNMKJXPK-UHFFFAOYSA-N 239.278 2.876 0 50 BFAA Cc1ccc(CN2CCC[C@@H](c3ncc[nH]3)C2)o1 92071975 ICZBVAWBUJHOSI-GFCCVEGCSA-N 245.326 2.691 0 50 BFAA CSc1ccc(C(=O)C2=NC(=O)N=C2C)cc1 103636039 CMYKVJWDVLRWMY-UHFFFAOYSA-N 246.291 2.627 0 50 BFAA Nc1cccnc1-c1ccc2ncccc2c1 148997090 BAYVLAOJXMYBCS-UHFFFAOYSA-N 221.263 2.879 0 50 BFAA FC(F)(F)c1ccc([C@@]2(F)CCNC2)cc1 163334419 YGMYKGYDSIXSJJ-SNVBAGLBSA-N 233.208 2.864 0 50 BFAA CC(C)c1ocnc1C(=O)N(C)Cc1ccoc1 215984411 ZHYHTMHOZXFZAN-UHFFFAOYSA-N 248.282 2.663 0 50 BFAA CCCc1noc(CN2CCC[C@@H]3CCC[C@H]32)n1 230090167 ISQKEPXUBDYLPP-NWDGAFQWSA-N 249.358 2.787 0 50 BFAA CCC[C@H](C)N(C)c1ncnc2[nH]ccc12 264919685 LXCXTQQYZPYZCG-VIFPVBQESA-N 218.304 2.583 0 50 BFAA CCCN1C[C@H](C)C[C@@H]1c1cccnc1 336536205 JOICXYRGSPNYBK-DGCLKSJQSA-N 204.317 2.875 0 50 BFAA CCn1ncc(-c2ccc(F)c(C)c2)c1C(=O)O 534658242 OLTQRSPPJQAKER-UHFFFAOYSA-N 248.257 2.716 0 50 BFAA CC(=O)N1CC[C@@H](c2ccc(F)c(F)c2)[C@H]1C 1875288913 KXMOKDLALOFVOV-LDYMZIIASA-N 239.265 2.689 0 50 BFAA CCC(=O)c1ccc(Br)cc1O 153475 CPZPNEVIZAJTDT-UHFFFAOYSA-N 229.073 2.747 0 50 BFAA in-vitro CCCC(C)(C)NC(=O)c1ccccc1 286563 DNSDWTWFJFFEKR-UHFFFAOYSA-N 205.301 2.995 0 50 BFAA O=c1c2ccccc2ncn1-c1ccc(F)cc1 291635 LSQZIWQWHAXRQM-UHFFFAOYSA-N 240.237 2.525 0 50 BFAA COc1ccc2sc(C(=O)O)c(C)c2c1 329979 HQORKYGLRMIEKI-UHFFFAOYSA-N 222.265 2.917 0 50 BFAA in-vitro CCCC(=O)NC1C2CC3CC(C2)CC1C3 470607 JXWBUSRFJZZEDB-UHFFFAOYSA-N 221.344 2.727 0 50 BFAA NC(=O)c1ccccc1Nc1ccccc1 1674116 JKWQUMKCVDUICQ-UHFFFAOYSA-N 212.252 2.529 0 50 BFAA CCOc1ccc([C@H]2NCCn3cccc32)cc1 2455022 MEVCBERUPQQZGI-OAHLLOKOSA-N 242.322 2.579 0 50 BFAA CC(C)OC[C@@H](O)CSCc1ccccc1 2874931 FLECVQUDZRZHPP-CYBMUJFWSA-N 240.368 2.706 0 50 BFAA CCCCn1c(=S)[nH]c2ccccc2c1=O 3230900 YIMVQTWMNLKAPM-UHFFFAOYSA-N 234.324 2.859 0 50 BFAA c1ccc(CSc2ncnc3nc[nH]c23)cc1 4032449 ULIQGBPQLPCTAJ-UHFFFAOYSA-N 242.307 2.645 0 50 BFAA biogenic,in-vivo C[C@H]1C[C@H](NCc2ccccc2)[C@H](C)CN1C 4298768 WSVFANOWQHGVOH-IPYPFGDCSA-N 232.371 2.505 0 50 BFAA Oc1cccc(NC(=S)Nc2cccnc2)c1 8682918 SQIHIZYNGDSNRH-UHFFFAOYSA-N 245.307 2.596 0 50 BFAA c1ccc([C@@H]2NCCc3ccccc32)cc1 19370042 PRTRSEDVLBBFJZ-HNNXBMFYSA-N 209.292 2.922 0 50 BFAA in-vitro CC1CCN(c2nc3ccccc3[nH]2)CC1 20572040 PUHHTJJRHYUBDJ-UHFFFAOYSA-N 215.300 2.799 0 50 BFAA CCc1ccc(CNC[C@H]2CCCN2CC)cc1 22936337 FGKOMJYXNISQBH-MRXNPFEDSA-N 246.398 2.823 0 50 BFAA CCOC(=O)C(F)(F)C1CCCCC1 31829506 OFPPWXANCLSJPQ-UHFFFAOYSA-N 206.232 2.765 0 50 BFAA Nc1cccc2cncc(Br)c12 32501157 RJLUYBOSXJNQBN-UHFFFAOYSA-N 223.073 2.580 0 50 BFAA in-vitro CCC(CC)NC[C@@H](C)Oc1cccnc1 53590100 SMGCSWWCPNUQQW-LLVKDONJSA-N 222.332 2.627 0 50 BFAA COc1nc(C(F)(F)F)ccc1Cl 238357422 ICMSUMGQLYZWLM-UHFFFAOYSA-N 211.570 2.762 0 50 BFAA CO[C@@H]1C(Br)=C[C@@H]2[C@H]3C=C[C@@H](C3)[C@@H]12 257356789 KGGLAJNQSFOHCY-WFADCGHZSA-N 241.128 2.732 0 50 BFAA C[C@@H](c1ccccc1)N1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O 257368503 KABHMPAVGAFIRM-PYJNHQTQSA-N 245.322 2.685 0 50 BFAA CCOC(=O)c1c(-c2ccccc2)ccnc1O 260000760 GBZQHYVDNPQMPC-UHFFFAOYSA-N 243.262 2.631 0 50 BFAA COC(=O)/C=C(\C)c1ccc(F)c(F)c1 379672655 XWZRLYGFHCWYCC-FNORWQNLSA-N 212.195 2.541 0 50 BFAA C[C@@H]1CC[C@@H](n2cc(-c3ccccn3)nn2)C1 585124321 YUGMKHHONNQGRX-GHMZBOCLSA-N 228.299 2.701 0 50 BFAA Cc1cc2c[nH]nc2cc1[C@@H]1CC[C@H](C)NC1 757209088 FQPWDJGSXDJMFT-WDEREUQCSA-N 229.327 2.727 0 50 BFAA Cc1ccc(C(=O)OCC2CSC2)c(F)c1 888099641 UCWMPYSJQFJAOE-UHFFFAOYSA-N 240.299 2.654 0 50 BFAA C=CC(=O)N1c2ccc(Cl)cc2C[C@@H]1C 1120772474 LFYKVBIGCAZARW-QMMMGPOBSA-N 221.687 2.804 0 50 BFAA C[C@H](O)c1ccc(-c2cccc(CO)c2)s1 1772716145 SXPQSYSNDLJGSE-VIFPVBQESA-N 234.320 2.961 0 50 BFAA C=CC(=O)NCCC1C2CC3CC(C2)CC1C3 1776003372 LVOUANPTIMNXML-UHFFFAOYSA-N 233.355 2.751 0 50 BFAA C[C@]1(COCc2ccccc2)CCOC1 1857788278 SUMBVXVSNWANBO-ZDUSSCGKSA-N 206.285 2.630 0 50 BFAA Clc1ccc(OC[C@@H]2CO2)cc1Cl 162772 NRLJEEOYPXGFOM-SSDOTTSWSA-N 219.067 2.771 0 50 BFAA in-vitro COc1ccc(C(=O)c2ccccc2)cc1 244531 SWFHGTMLYIBPPA-UHFFFAOYSA-N 212.248 2.926 0 50 BFAA biogenic,in-vitro O=C(c1ccccc1)c1ccc2[nH]cnc2c1 4103565 CGVCBANYMPJILL-UHFFFAOYSA-N 222.247 2.794 0 50 BFAA Cc1ccc(C(=O)O)cc1NC(=O)C1CCCC1 13169689 FTTAGXIQQDJSMF-UHFFFAOYSA-N 247.294 2.822 0 50 BFAA O=C(NC1CC1)c1cccc(-c2cccnc2)c1 32517900 BIPZIONKRZAFJQ-UHFFFAOYSA-N 238.290 2.641 0 50 BFAA C[C@H](c1cccc(-c2ncc(F)cn2)c1)N(C)C 65382863 OLJNGLMGIXZOJN-SNVBAGLBSA-N 245.301 2.905 0 50 BFAA Cc1ccc(-c2cc(N)ncn2)cc1Cl 123255487 GUUQHTBGDGWHLX-UHFFFAOYSA-N 219.675 2.688 0 50 BFAA in-vitro COC(=O)c1cccc(-c2cccc(CN)c2)c1 220117547 KDQOIRYUBKTCTC-UHFFFAOYSA-N 241.290 2.599 0 50 BFAA CCCC[C@@H](C)C(=O)NCCc1ccc(C)nc1 225734175 SQYOABZYDGFGII-GFCCVEGCSA-N 248.370 2.875 0 50 BFAA C[C@H](NC(=O)C(C)(C)C)[C@@H]1C[C@H]2CC[C@H]1C2 243584772 OQNMQGCHGSHCCA-BJDJZHNGSA-N 223.360 2.973 0 50 BFAA Cc1c(Br)cccc1CC1(N)CC1 258348562 XSMXGBCOSXAADL-UHFFFAOYSA-N 240.144 2.791 0 50 BFAA CC(C)Oc1cc(Cl)cc(O)c1F 261493981 NEQYBCOSNNKVKE-UHFFFAOYSA-N 204.628 2.972 0 50 BFAA Fc1cc(OC(F)F)cnc1Br 263623001 CUDKSPGWWMJMAR-UHFFFAOYSA-N 241.994 2.585 0 50 BFAA CC(C)(C)CS(=O)(=O)Cc1ccccc1F 282029201 ZAOADMBWIKLADR-UHFFFAOYSA-N 244.331 2.787 0 50 BFAA C[C@@H]1CC=CC[C@H]1C(=O)NC1(C(F)F)CC1 334220563 VOGVSBMQZWJIDU-RKDXNWHRSA-N 229.270 2.503 0 50 BFAA C1C[C@H](c2noc(C[C@H]3C[C@H]4CC[C@H]3C4)n2)CO1 347643595 AOUICCJJOYKRGJ-FIQHERPVSA-N 248.326 2.552 0 50 BFAA CC[C@H]1CN(c2ccc(Cl)c(C)n2)CCO1 1506400693 KUISUOUNNRZZDD-JTQLQIEISA-N 240.734 2.659 0 50 BFAA CCOc1ccccc1-c1cnc2cnccn12 2100555318 QIXNBZLLBPXRBX-UHFFFAOYSA-N 239.278 2.795 0 50 BFAA c1cnc2ccc(-c3cnc4cnccn34)cc2c1 2356164417 RVOFAVCTDBEMPK-UHFFFAOYSA-N 246.273 2.945 0 50 BFAA Cc1cccc(C2(C(=O)O)CCCC2)c1 394577 VHDMREIZSHJHMB-UHFFFAOYSA-N 204.269 2.891 0 50 BFAA in-vitro Cc1c(Cl)cccc1N1C(=O)CCCC1=O 2166209 RKYAHZGMMABTLN-UHFFFAOYSA-N 237.686 2.692 0 50 BFAA CCN(CC)CCCOc1cccc(C(C)=O)c1 2845771 ZBKCPYWIGXHXQC-UHFFFAOYSA-N 249.354 3.000 0 50 BFAA CCN(CC)C(=O)N1CCc2ccccc21 4840447 ZWMBWNRAUWHCID-UHFFFAOYSA-N 218.300 2.511 0 50 BFAA COc1cccc(CN2CCC[C@H](C)C2)c1OC 4987318 GIURJLDTTGIUTP-LBPRGKRZSA-N 249.354 2.936 0 50 BFAA c1ccc2c(c1)nnn2Cc1c[nH]c2ccccc12 5517925 CNUSBODFODXWPI-UHFFFAOYSA-N 248.289 2.961 0 50 BFAA CCC(=O)N[C@@H](C)c1ccc(C)c(C)c1 6698373 JKNYTKDSHVFMON-NSHDSACASA-N 205.301 2.891 0 50 BFAA CCOc1cc(C)nc(-c2csc(C)n2)n1 12369782 AIEXTRNCGODBQF-UHFFFAOYSA-N 235.312 2.616 0 50 BFAA CCNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 13688962 LNJVECKPLCIYNI-LLVKDONJSA-N 243.306 2.743 0 50 BFAA O=NN1C[C@@]23CC=CC[C@@]2(CCCC3)C1 45070743 PSFGOJUFEIYFLX-TXEJJXNPSA-N 206.289 2.880 0 50 BFAA C[C@@]1(O)C=C[C@H](Cc2ccccc2)CC1 45071676 OTDQKHHEHQWPIL-UONOGXRCSA-N 202.297 2.946 0 50 BFAA Cc1cc2cc(Br)cnc2[nH]1 45673141 IWLFWGLFINYFHA-UHFFFAOYSA-N 211.062 2.634 0 50 BFAA in-vitro O=C1CCc2c1ccc(F)c2C(F)(F)F 116389961 WXOZFYKRSAKMLY-UHFFFAOYSA-N 218.149 2.973 0 50 BFAA C[Si](C)(c1ccccc1)c1ccccc1 169864246 WJKVFIFBAASZJX-UHFFFAOYSA-N 212.368 2.509 0 50 BFAA in-vitro Cc1nc2ccccc2nc1CS[C@H](C)CO 172981619 CIVUSEQGGPVEQV-SECBINFHSA-N 248.351 2.552 0 50 BFAA CC(=O)OCC(=O)c1c(C)c(C)cc(C)c1C 196355912 JMEIKLQUAQVJQZ-UHFFFAOYSA-N 234.295 2.666 0 50 BFAA O=C1N(c2ccccc2)CCCC1(Cl)Cl 214494929 XNZJWVBGHGKZEG-UHFFFAOYSA-N 244.121 2.987 0 50 BFAA CC1(C)CCC[C@@H]1NCc1cccc(CO)c1 223261623 SIICSZQTFZQSPU-AWEZNQCLSA-N 233.355 2.847 0 50 BFAA Cc1ccnc(N[C@H](C)C[C@@H](O)c2ccco2)c1 225527170 QCORGAKFCVDFRZ-VXGBXAGGSA-N 246.310 2.907 0 50 BFAA Oc1cnc2c(Br)ccc(F)c2c1 232223979 HFHGHUZXINECTB-UHFFFAOYSA-N 242.047 2.842 0 50 BFAA CC1=C(c2ccco2)CN(C(=O)[C@H]2C[C@@H]2C)CC1 253392179 QBOJTNKCMHCVNI-RYUDHWBXSA-N 245.322 2.941 0 50 BFAA C1CC2(C1)CC(N[C@H]1CCO[C@H](C3CC3)C1)C2 334796211 DVVBZKFDGDUPPR-JSGCOSHPSA-N 235.371 2.866 0 50 BFAA CC(C)(C)NC(=O)[C@H]1C[C@@H]1c1ccccc1 301261 TZBSBJOHRGVDKB-NEPJUHHUSA-N 217.312 2.705 0 50 BFAA O=C(Nc1ccc2ccccc2c1)[C@H]1CCCN1 391902 IEZATIIUZVDELT-CQSZACIVSA-N 240.306 2.530 0 50 BFAA biogenic,in-vitro CC[C@H](C(=O)n1cccn1)c1ccccc1 474070 GNVJCCFXOWCKFS-LBPRGKRZSA-N 214.268 2.717 0 50 BFAA Cc1ccc(C(=O)Nc2cccc(CO)c2)cc1 1060560 XIOYJNXVYPCADC-UHFFFAOYSA-N 241.290 2.740 0 50 BFAA CCCc1cc(C(=O)O)cc(CCC)c1O 2020743 RRADOGMUVWBEFW-UHFFFAOYSA-N 222.284 2.995 0 50 BFAA CCCCNCCOc1ccccc1C 2931944 OECVSFJJKNPVRQ-UHFFFAOYSA-N 207.317 2.764 0 50 BFAA CC1(C)CC(O)(c2ccccc2)CC(C)(C)N1 4765373 ANWUNKVMALBHSR-UHFFFAOYSA-N 233.355 2.815 0 50 BFAA Cc1ccccc1OCCNC(C)(C)C 22064582 XMKONFJFYPGPNU-UHFFFAOYSA-N 207.317 2.762 0 50 BFAA CCc1ccccc1NC(=O)c1coc(C)n1 22606339 FFRCYZJNKLTZHU-UHFFFAOYSA-N 230.267 2.798 0 50 BFAA COC(=O)CCc1ccccc1Br 34724280 NIULOVGPRAJIJM-UHFFFAOYSA-N 243.100 2.555 0 50 BFAA in-vitro COCCn1ccnc1-c1cc(C)c(O)c(C)c1 67841218 VMYKKUQPGQNYCU-UHFFFAOYSA-N 246.310 2.519 0 50 BFAA Cc1ncc2ccc(Br)cc2n1 85224541 FUJPMAXZVVBVEY-UHFFFAOYSA-N 223.073 2.701 0 50 BFAA in-vitro CC1=CC[C@H]2CO[C@@H](c3ccc[n+](C)c3)[C@H]1C2 100521200 QHCWCHOUDLMCMJ-SNPRPXQTSA-N 230.331 2.555 0 50 BFAA Cc1cccc(NC(=O)Nc2ccc(O)cc2)n1 170087679 MVKMDCBHOBZFIT-UHFFFAOYSA-N 243.266 2.740 0 50 BFAA CS[C@H]1CCC[C@H](Nc2cnccn2)C1 227358098 BOWKSLVJJFNLCO-UWVGGRQHSA-N 223.345 2.563 0 50 BFAA COc1cncc(-c2cccc(N(C)C)c2)c1 426620237 NNZWOOKUEXOMIM-UHFFFAOYSA-N 228.295 2.823 0 50 BFAA CC[C@@]1(C(=O)OC)O[C@]1(C)C1CCCCC1 669382217 BSXVWPOBRGBAOH-OLZOCXBDSA-N 226.316 2.677 0 50 BFAA Cc1cc2c[nH]nc2cc1[C@H]1CCCN[C@H]1C 757213580 PSJDAXJHOMTOHN-JQWIXIFHSA-N 229.327 2.727 0 50 BFAA C[C@H]1CN(C(=O)Nc2ccc(Cl)nc2)[C@H]1C 821541690 HQAAJGVCAZYDIF-YUMQZZPRSA-N 239.706 2.607 0 50 BFAA CCOC(=O)c1ccc(-n2cccc2)cc1 111679 FOELSWUYONNGSV-UHFFFAOYSA-N 215.252 2.654 0 50 BFAA in-vitro CCc1ccc(I)cc1 2528201 OOLSRHZMXAYDFB-UHFFFAOYSA-N 232.064 2.854 0 50 BFAA in-vitro O=Cc1cc(Cl)ccc1OC(F)F 2529873 FRNLODWJIKMPDY-UHFFFAOYSA-N 206.575 2.754 0 50 BFAA in-vitro COc1ccc(Br)c(F)c1 2574363 XANVIFOBBVAKCY-UHFFFAOYSA-N 205.026 2.597 0 50 BFAA in-vitro CC[C@@H](C)NC(=O)Nc1cccc(C)c1 2764738 CTFKFWPZAPCZSI-SNVBAGLBSA-N 206.289 2.915 0 50 BFAA COc1ccc(-c2nc(C)c(C(=O)O)s2)cc1 4207356 HWHHZTHVYFDJNK-UHFFFAOYSA-N 249.291 2.825 0 50 BFAA in-vitro Cc1csc(NC(=O)c2ccccc2)n1 5712475 NEPIZAVYXKHUCD-UHFFFAOYSA-N 218.281 2.704 0 50 BFAA in-vivo CCCCNC(=O)N1c2ccccc2C[C@@H]1C 6731766 DSTZGTMWHFCETE-NSHDSACASA-N 232.327 2.947 0 50 BFAA CC[C@@H](NC(=O)OC)c1ccc(C)cc1 13320924 HKIYSRKBCDVDAV-LLVKDONJSA-N 207.273 2.802 0 50 BFAA Cc1ccc2c(c1)CN(CC1CC1)C[C@@H](C)O2 14879355 NKHICPCQHNNTAR-GFCCVEGCSA-N 231.339 2.988 0 50 BFAA O=C(O)c1c2c(nc3ccccc13)CCCC2 19229872 JYVPWMIZRISTEH-UHFFFAOYSA-N 227.263 2.812 0 50 BFAA in-vitro O=C(O)c1ccnc2cccc(Cl)c12 35270093 QEJVAJGAMCJITG-UHFFFAOYSA-N 207.616 2.586 0 50 BFAA in-vitro COc1ccc([C@@H](C)O)c(Br)c1 40264551 UJSSRKRHXCIJRN-ZCFIWIBFSA-N 231.089 2.511 0 50 BFAA in-vitro Fc1cc2nc(-c3cnccn3)[nH]c2cc1Cl 71790011 YLQWYCULENGEOY-UHFFFAOYSA-N 248.648 2.812 0 50 BFAA in-vitro COC(=O)c1cc(Br)sc1C 85224383 KOLUIHOYXGOSFO-UHFFFAOYSA-N 235.102 2.606 0 50 BFAA in-vitro C[C@H]1CC(=O)c2cc([Si](C)(C)C)oc2C1 169834503 YXGRYCNLTBDNHX-QMMMGPOBSA-N 222.360 2.590 0 50 BFAA C[C@@H](NCCCF)c1cccc(-n2cccn2)c1 170064178 ILLNCNLBJCQCJU-GFCCVEGCSA-N 247.317 2.883 0 50 BFAA O[C@@H](C[C@H]1CCCN1CC1CC1)c1ccco1 268641317 DPLWAIZFJUTRQC-OLZOCXBDSA-N 235.327 2.578 0 50 BFAA CCn1nc(C)nc1-c1cnn(CCC(C)C)c1 426518365 RWXSQEDIWWYKHG-UHFFFAOYSA-N 247.346 2.516 0 50 BFAA CC[C@H]1C=CCN1C1CCC2(CCNCC2)CC1 952968451 GZHDUEWHPABEOV-AWEZNQCLSA-N 248.414 2.949 0 50 BFAA CCCc1cnc(C)nc1NCCc1ccco1 1529144300 WUCSNUNZBDGCBJ-UHFFFAOYSA-N 245.326 2.985 0 50 BFAA CO[C@@H]1CCC[C@]12CCCN(c1ccncc1)C2 1704308786 JUZBPLKTRUIAMG-HUUCEWRRSA-N 246.354 2.867 0 50 BFAA Clc1ccc(C2[N@]3CCCC[N@@]23)cc1 1857524872 HBAJHOSTAJJISF-KBPBESRZSA-N 208.692 2.665 0 50 BFAA O=Cc1ccc(OC(=O)c2ccccc2)cc1 41171 KYZWJGYDXCOKRS-UHFFFAOYSA-N 226.231 2.718 0 50 BFAA in-vitro O=c1cccccc1NC1CCCCC1 315232 OGDCJTIDXAPWOJ-UHFFFAOYSA-N 203.285 2.791 0 50 BFAA Cc1ccccc1NCn1nnc2ccccc21 366072 HHSROGBHAMTLIO-UHFFFAOYSA-N 238.294 2.809 0 50 BFAA CCC[C@H](C)NC(=O)c1ccc(C)cc1 383583 WEVIRYJSABXFDT-NSHDSACASA-N 205.301 2.913 0 50 BFAA CCCC(=O)OCCCc1ccccc1 1685567 IWBHCESPSIQPME-UHFFFAOYSA-N 206.285 2.963 0 50 BFAA Cc1cc(C(=O)Nc2ccc(F)cc2F)no1 2497929 WVSYVLIFNGYXOV-UHFFFAOYSA-N 238.193 2.514 0 50 BFAA CN(C)c1cc(C(=O)O)ccc1C(C)(C)C 7023255 MJBDBSOUMPDXAH-UHFFFAOYSA-N 221.300 2.748 0 50 BFAA O=C(O)c1ccc2c(c1)ncn2-c1ccccc1 13782579 QTVKJLNIUBHSTK-UHFFFAOYSA-N 238.246 2.724 0 50 BFAA COc1cccc(-c2ncc(C=O)s2)c1 19088537 YVAFASMGYFSGPR-UHFFFAOYSA-N 219.265 2.631 0 50 BFAA in-vitro O=Cc1cc2cc(F)c(F)cc2nc1Cl 21982322 KHMGMVNRBZRJLT-UHFFFAOYSA-N 227.597 2.979 0 50 BFAA in-vitro Cc1noc(C2CCN(C3CCCCC3)CC2)n1 72348428 LEAZTCDMQBPBGS-UHFFFAOYSA-N 249.358 2.890 0 50 BFAA CCOC(=O)c1cccc(-c2cnco2)c1 90470784 UAWUYDWGOSIVAQ-UHFFFAOYSA-N 217.224 2.518 0 50 BFAA in-vitro Cn1nccc1-c1cc(C(=O)O)sc1Cl 116445472 KBOSDMHARWSTCV-UHFFFAOYSA-N 242.687 2.500 0 50 BFAA COC(C)(C)C[C@H](C)NC(=O)c1ccccc1C 173815825 JQOFAWIPXIBANX-LBPRGKRZSA-N 249.354 2.928 0 50 BFAA CCCN(CC(F)F)C(=O)Cc1ccsc1 194714757 IBSSBBATSRPOIC-UHFFFAOYSA-N 247.310 2.794 0 50 BFAA C[C@H]1CCCCN1C[C@@H](O)c1ccccc1F 221092342 NJDSGOINJOZNSB-SMDDNHRTSA-N 237.318 2.734 0 50 BFAA CCCCCn1c[n+](CCc2ccccc2)cn1 252507498 WNESENZGYAYDBZ-UHFFFAOYSA-N 244.362 2.604 0 50 BFAA C[C@H](NC(=O)[C@H]1CC=CCC1)C(C)(F)F 335471503 RVAVYUUDPXNMFQ-IUCAKERBSA-N 217.259 2.503 0 50 BFAA CC[C@]1(C(=O)OC)O[C@@]1(C)c1ccc(C)s1 669382355 GPSUPBKLCLTVKN-NWDGAFQWSA-N 240.324 2.624 0 50 BFAA CCCCn1ncnc1[C@H](C)N1CCCCC1 670457277 MACKLDHIAZARCL-LBPRGKRZSA-N 236.363 2.625 0 50 BFAA CC[C@@H](OC)c1ncnn1CCc1ccccc1 822667810 NNAKCRDVBJZWDQ-CYBMUJFWSA-N 245.326 2.618 0 50 BFAA CCCc1cncnc1NCC[C@@H]1CCCOC1 823015096 FAMBEVMMMJENLA-LBPRGKRZSA-N 249.358 2.658 0 50 BFAA C=CC(=O)N1CC2(CCC2)[C@@H]1c1ccco1 888098786 PMNZXGOMIAOZRD-LBPRGKRZSA-N 217.268 2.519 0 50 BFAA C=CC(=O)Nc1ccc(-c2ccc[nH]2)cc1 1335331749 SWMWLYSBEZFRTN-UHFFFAOYSA-N 212.252 2.806 0 50 BFAA C=CC(=O)N[C@H]1C[C@@H](C)Cc2cc(OC)ccc21 1776000076 VIUUKYQNZANYFI-HZMBPMFUSA-N 245.322 2.621 0 50 BFAA C=CC(=O)N1CCCc2c(F)ccc(Cl)c21 1875366673 QYIONHGRVSQZSU-UHFFFAOYSA-N 239.677 2.944 0 50 BFAA CC(=O)c1ccc(OC(F)(F)F)cc1 167152 MOEXTBIPPMLEFX-UHFFFAOYSA-N 204.147 2.788 0 50 BFAA in-vitro CC(C)c1ccc(-c2ccc(=O)[nH]n2)cc1 390163 KDRHOGIZKXNGET-UHFFFAOYSA-N 214.268 2.560 0 50 BFAA Cc1nc2ccccc2nc1OC(C)C 1209668 LLCBUPIOPOOXIN-UHFFFAOYSA-N 202.257 2.725 0 50 BFAA Cc1cccc(C)c1OCCCN(C)C 2822312 XPIPRDDKFQKFFS-UHFFFAOYSA-N 207.317 2.634 0 50 BFAA CSc1ccccc1NC1CCN(C)CC1 3684429 MOZRVWGRGOPOEA-UHFFFAOYSA-N 236.384 2.915 0 50 BFAA Cc1c(Cl)ccc(OCCN(C)C)c1C 4913658 IUZCCCAEPIEIHM-UHFFFAOYSA-N 227.735 2.897 0 50 BFAA CC[C@H](Oc1cccc(Cl)c1)C(=O)O 5953879 LTNOFNYWTSJBRJ-VIFPVBQESA-N 214.648 2.582 0 50 BFAA CC[C@H](NC(=O)c1cc(C)on1)c1ccccc1 6741916 NRFSXUKGQFYHDI-LBPRGKRZSA-N 244.294 2.864 0 50 BFAA Cc1ccc2nc(C3CCNCC3)oc2c1 11851381 QTXITZFVZKHRPH-UHFFFAOYSA-N 216.284 2.603 0 50 BFAA in-vitro COc1ccc(C(=O)NC(C)(C)C)cc1C 14291995 GBTXVGOTUYHSPE-UHFFFAOYSA-N 221.300 2.532 0 50 BFAA CCc1ccc(C(=O)N[C@@H](C)[C@@H]2CCCO2)cc1 16604360 NJHCZZOEUKTJAV-FZMZJTMJSA-N 247.338 2.546 0 50 BFAA C[C@@](O)(CNCc1ccccc1)c1ccccc1 26897872 AQNMRRLWGULCLS-MRXNPFEDSA-N 241.334 2.684 0 50 BFAA Clc1nc2ccccc2n2ccnc12 34451182 RYNAIJUDTQWFSL-UHFFFAOYSA-N 203.632 2.536 0 50 BFAA in-vitro COc1cccc([C@@H](O)c2ccccc2)c1OC 39439127 KLNMGGVOXOVIBX-AWEZNQCLSA-N 244.290 2.786 0 50 BFAA Cc1ccccc1[C@H](C)NC(=O)C(C)C 42162517 ISEUQNJOLAKDIS-NSHDSACASA-N 205.301 2.828 0 50 BFAA CCN[C@]1(c2cccs2)CCCCC1=O 56898729 QAXBVGVYDCAVLV-GFCCVEGCSA-N 223.341 2.696 0 50 BFAA in-man COC(=O)C(C)(C)c1cccc(Cl)c1 78833740 CVIXMPKCWWZAMS-UHFFFAOYSA-N 212.676 2.791 0 50 BFAA CC[C@H](CC[C@H](C)O)C[C@H]1CCCO1 100704259 WRDHXNUNGYABFV-QJPTWQEYSA-N 200.322 2.743 0 50 BFAA Cc1cnc(NC(=O)C[C@H]2CCC[C@@H](C)C2)[nH]1 131152704 FWBHCUGGVHXGTP-KOLCDFICSA-N 235.331 2.873 0 50 BFAA CCCc1[nH]ncc1C(=O)N1CCCC(C)(C)C1 195567435 VLLIJACYRRQDSJ-UHFFFAOYSA-N 249.358 2.624 0 50 BFAA CC(C)(C)OC(=O)N1Cc2ccccc2C1=O 203397806 CJRVYNFBPKVLCQ-UHFFFAOYSA-N 233.267 2.578 0 50 BFAA CN(C[C@H](O)c1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2 299872843 QPJACXYEMOQCLG-TUUVXOQKSA-N 245.366 2.840 0 50 BFAA Cc1cnc(CN2CCC[C@H]2c2cccnc2)o1 334872938 WVZFRWLZLYLKPF-ZDUSSCGKSA-N 243.310 2.715 0 50 BFAA Fc1ccc(CSc2ccncc2)nc1 336046693 ZPOCAXWAABABHU-UHFFFAOYSA-N 220.272 2.908 0 50 BFAA C=CC(=O)N1CC2(CCCCC2)[C@@H]1C(C)C 863971040 CBIHEJSXAJCIGN-ZDUSSCGKSA-N 221.344 2.990 0 50 BFAA C=CC(=O)NCc1ccccc1CC(F)(F)F 1346090629 KJJWXECNYJYDKV-UHFFFAOYSA-N 243.228 2.594 0 50 BFAA NC[C@@H]1CCOc2cc(C(F)(F)F)ccc21 2325712159 YPBWZVBXKQJGRI-ZETCQYMHSA-N 231.217 2.530 0 50 BFAA C[C@H](N[C@@H]1CCc2cc(O)ccc2C1)[C@@H]1C[C@H]1C 2325888015 NFJGZAWFAXGKIW-YHYOWMERSA-N 245.366 2.884 0 50 BFAA C[C@H]1C[C@H](C)CN(C(=O)c2ccc(F)cc2)C1 29761 JGSLWDATJNUNQD-QWRGUYRKSA-N 235.302 2.944 0 50 BFAA C[C@H](Oc1ccccc1)C(=O)NC1CCCC1 30506 RAKABVUUUXKNDS-NSHDSACASA-N 233.311 2.513 0 50 BFAA O=C(O)c1ccc(SC(F)(F)F)cc1 156436 UMOGQQWVQUQTQA-UHFFFAOYSA-N 222.187 2.997 0 50 BFAA in-vitro O=CNc1nc2c(Cl)cccc2s1 405842 NJETYQXTSMIMTM-UHFFFAOYSA-N 212.661 2.518 0 50 BFAA Cc1ccc(C(=O)NCc2ccco2)c(C)c1 806924 OZULURZXTBOIPR-UHFFFAOYSA-N 229.279 2.826 0 50 BFAA CC(C)(Br)C(=O)Nc1ccccc1 1680007 PLMADUFDYDHKTB-UHFFFAOYSA-N 242.116 2.799 0 50 BFAA Clc1cccc(NC2=NCCS2)c1 1719667 GBQKVBOQHMFWHS-UHFFFAOYSA-N 212.705 2.855 0 50 BFAA CC(=O)Nc1cc(Cl)c(Cl)cc1N 1735380 RFAVPISRRMQCOS-UHFFFAOYSA-N 219.071 2.534 0 50 BFAA in-vitro COc1cccc2c(O)cc(C(F)(F)F)nc12 2386492 PJTJOLUVQOIHEC-UHFFFAOYSA-N 243.184 2.968 0 50 BFAA in-vitro O=C(O)/C=C/c1ccc(Cl)c(F)c1 2512525 MNELKRQRBRYHBV-DUXPYHPUSA-N 200.596 2.577 0 50 BFAA Cc1cnc2c(C(=O)O)c(Cl)ccc2c1 2516979 ALZOLUNSQWINIR-UHFFFAOYSA-N 221.643 2.895 0 50 BFAA biogenic,in-vitro Cc1[nH]c2ccccc2c1CCC(=O)NC(C)C 4011641 YXEWTDVVEPPDPE-UHFFFAOYSA-N 244.338 2.934 0 50 BFAA biogenic OC1(c2nc3ccccc3[nH]2)CCCCC1 5286502 HCZHWRACLOHDBN-UHFFFAOYSA-N 216.284 2.715 0 50 BFAA CCc1nnc(S)n1-c1ccc(C)c(C)c1 6395480 JAWDQCDDDMVCDC-UHFFFAOYSA-N 233.340 2.735 0 50 BFAA Cc1ccccc1CC(=O)N1CCCCC1 6726960 WBEPPMAIUSGSTR-UHFFFAOYSA-N 217.312 2.550 0 50 BFAA CC[C@@H](C)NC(=O)CSCc1ccccc1 6933905 CAYJEHBMEUYIQZ-LLVKDONJSA-N 237.368 2.835 0 50 BFAA CC1(C)COC(c2ccccc2Cl)=N1 15780481 VOMZEVDJNHHMLC-UHFFFAOYSA-N 209.676 2.895 0 50 BFAA CCN(CC)C(F)(F)[C@@H](F)C(F)(F)F 19616408 BNTFCVMJHBNJAR-YFKPBYRVSA-N 223.160 2.821 0 50 BFAA CCN1CCN(C/C(C)=C/c2ccccc2)CC1 19634094 QCCYQSLOIUJWES-FYWRMAATSA-N 244.382 2.727 0 50 BFAA OCCCc1nc2cc(Cl)c(Cl)cc2[nH]1 26462067 JWXBWRZLAGOIBU-UHFFFAOYSA-N 245.109 2.795 0 50 BFAA CCSc1ccc(-c2cnc(N)cn2)cc1 32580925 HCJGOSOHSCECDY-UHFFFAOYSA-N 231.324 2.838 0 50 BFAA Fc1ccccc1CC[C@@H]1CCCNC1 41216212 GKHQHDZRXPDHBI-NSHDSACASA-N 207.292 2.758 0 50 BFAA Cc1ccc(CN(C)Cc2nccn2C(C)C)o1 67871858 IPBDTWWJLNFSFA-UHFFFAOYSA-N 247.342 2.997 0 50 BFAA O=c1cc(CCCOCc2ccccc2)cc[nH]1 91493540 BILXYNBVLDPOPF-UHFFFAOYSA-N 243.306 2.524 0 50 BFAA Cc1c(Cl)nc2ccccc2c1C(=O)O 148204611 FUKHTUIKAKDTBB-UHFFFAOYSA-N 221.643 2.895 0 50 BFAA C=CC(=O)N1CCCCC[C@@H]1c1ccncc1 199100397 FWMDZJMXZLUQCY-CYBMUJFWSA-N 230.311 2.711 0 50 BFAA Cc1nsc(Nc2cnn(C(C)(C)C)c2)n1 301928565 LKPSQARORNBFCR-UHFFFAOYSA-N 237.332 2.542 0 50 BFAA C[C@@H]1CC[C@@H](C)N(C(=O)[C@H]2CCCS2)C1 341951019 UJJYIJHLRJPAHB-GMTAPVOTSA-N 227.373 2.529 0 50 BFAA CC(=O)N[C@H](C)c1ccc(-c2c[nH]nc2C)cc1 534587368 MKUKPFYAHGMRLF-SECBINFHSA-N 243.310 2.582 0 50 BFAA CCOc1cccc(C(=O)N[C@H]2C=CCC2)c1 855423772 GZWGDTFJKPGIQN-LBPRGKRZSA-N 231.295 2.534 0 50 BFAA O=c1cc(C(F)(F)F)c2ccc(O)cc2o1 57916 CCKWMCUOHJAVOL-UHFFFAOYSA-N 230.141 2.517 0 50 BFAA biogenic,in-vitro COc1ccccc1CC(=O)N1CCCCCC1 434631 UIYYJIRBQPKSDY-UHFFFAOYSA-N 247.338 2.640 0 50 BFAA CC(C)n1c(S)nnc1-c1cccs1 2569169 FECBPIBGHFCASY-UHFFFAOYSA-N 225.342 2.876 0 50 BFAA in-vitro CC(C)C[C@H](N)c1nc2ccccc2[nH]1 4244045 NZXOCEISVOCBCD-VIFPVBQESA-N 203.289 2.609 0 50 BFAA Cc1cccc(C)c1NC(=O)c1ccncc1 5619904 TVCJRDMVAATRMN-UHFFFAOYSA-N 226.279 2.951 0 50 BFAA Cn1c(CCC2CCCCC2)n[nH]c1=S 6056869 ZMFPKCOJBOPVAJ-UHFFFAOYSA-N 225.361 2.991 0 50 BFAA in-vitro O=C(NCc1ccccc1F)NC1CCCC1 13328260 UOCOBKBSWVQHCF-UHFFFAOYSA-N 236.290 2.568 0 50 BFAA CC(C)Oc1ccc(C=O)cc1Cn1ccnc1 13424677 UWMWGLGHZZJUJW-UHFFFAOYSA-N 244.294 2.531 0 50 BFAA Cc1ccccc1O[C@H](C)C(=O)NC(C)(C)C 33359530 MVWQRDNQGCYDLY-LLVKDONJSA-N 235.327 2.677 0 50 BFAA Cc1ccc(-c2nc(Br)n[nH]2)cc1 49584900 RVSVRDDHPDHMBR-UHFFFAOYSA-N 238.088 2.543 0 50 BFAA in-vitro C[C@H](c1cccnc1)N(C)Cc1ccncc1 65374521 UBSJWWPHWSOSTH-GFCCVEGCSA-N 227.311 2.670 0 50 BFAA Cc1nccc(-c2ccccc2)c1C(N)=S 72447009 WOJKXRDSCCIKLV-UHFFFAOYSA-N 228.320 2.691 0 50 BFAA O=C(O)CCc1cccc(Br)c1F 75902147 QUTHCORUZVGKKY-UHFFFAOYSA-N 247.063 2.605 0 50 BFAA in-vitro Brc1ccc(CN2CCC2)cc1 96025003 JLVSQPNCKCZXBK-UHFFFAOYSA-N 226.117 2.655 0 50 BFAA in-vitro O=C(O)c1ccc(C#CC#Cc2ccccc2)cc1 113748166 JYZNCHOSCQLDKW-UHFFFAOYSA-N 246.265 2.788 0 50 BFAA COc1ccnc(NC2CCCCCC2)n1 162294083 RZYNENUVIFDYND-UHFFFAOYSA-N 221.304 2.620 0 50 BFAA Cc1noc([C@H](NCC2CCCC2)C(C)C)n1 170065269 ZKUGMUKCAGDWJS-GFCCVEGCSA-N 237.347 2.855 0 50 BFAA CC1(F)CCN(C(=O)OC(C)(C)C)CC1 215759764 DIWUMINDALALEH-UHFFFAOYSA-N 217.284 2.746 0 50 BFAA COc1ccc2ncccc2c1NC(=O)C1CC1 2325767730 MHCOOJAZBYTYBX-UHFFFAOYSA-N 242.278 2.592 0 50 BFAA O=C1c2ccccc2C(=O)N1c1cccc(F)c1 41117 MBSFDPUISUFTPI-UHFFFAOYSA-N 241.221 2.626 0 50 BFAA COc1ccccc1[C@@H](CC(=O)O)c1ccco1 182801 ICKURTHQHUGHMK-LLVKDONJSA-N 246.262 2.895 0 50 BFAA CN(C)C(=O)CCSc1ccc(Cl)cc1 380062 UPLNGNUKRMZSFL-UHFFFAOYSA-N 243.759 2.910 0 50 BFAA CCn1c(-c2cccc(C)c2)n[nH]c1=S 617399 DWIGEOFJARIEDR-UHFFFAOYSA-N 219.313 2.936 0 50 BFAA in-vitro C[C@H](NC(=O)c1ccc(N)cc1)c1ccccc1 1438788 LRMURALCBANCSV-NSHDSACASA-N 240.306 2.760 0 50 BFAA CCCNC(=O)Nc1c(C)cccc1C 2171848 DZGRFHRROXDWNQ-UHFFFAOYSA-N 206.289 2.835 0 50 BFAA CNCCCOc1cccc(C(C)C)c1 2845050 DZXWCKSHZXNPRU-UHFFFAOYSA-N 207.317 2.798 0 50 BFAA CCc1nc2ccccc2n1[C@H](CC)C(=O)O 19091273 AXRZRQSWDLSUKC-SNVBAGLBSA-N 232.283 2.634 0 50 BFAA CCc1ccc(NC(=O)c2coc(C)n2)cc1 22606341 WRVTZYMSZSRFHU-UHFFFAOYSA-N 230.267 2.798 0 50 BFAA Fc1cc2ncnc(Cl)c2cc1F 26897385 RFMNNDWGWANMMJ-UHFFFAOYSA-N 200.575 2.561 0 50 BFAA in-vitro CC(C)c1ccc(C(F)(F)C(=O)O)cc1 31829534 RLTRNPQXJAHTDB-UHFFFAOYSA-N 214.211 2.986 0 50 BFAA COc1ccc(-c2ccccc2C(N)=O)c(C)c1 67805952 VBJSVJFZCSQJDP-UHFFFAOYSA-N 241.290 2.770 0 50 BFAA CCN(CC)C[C@H](C)Oc1ccccc1 79614699 UAUHVXXZMUQIES-LBPRGKRZSA-N 207.317 2.796 0 50 BFAA Nc1cc2cc(Br)cc(F)c2cn1 199564299 JCIBQHVIBLSPME-UHFFFAOYSA-N 241.063 2.719 0 50 BFAA COc1nccc(Cl)c1C(F)(F)F 238425437 FCJHGIWPDHRDRK-UHFFFAOYSA-N 211.570 2.762 0 50 BFAA Oc1ccc2cc(C(F)(F)F)cnc2c1 238668620 NOJXIJQJMUICLV-UHFFFAOYSA-N 213.158 2.959 0 50 BFAA COc1ccc(CN2C[C@H]3CC[C@H]2C3)cc1 249780480 ZAACLKDZGQAIJO-STQMWFEESA-N 217.312 2.680 0 50 BFAA O=C(O)c1ccc2cc(C(F)(F)F)cnc2c1 253532882 DNUKXMODJXKWJP-UHFFFAOYSA-N 241.168 2.952 0 50 BFAA CC(C)c1cc(CN[C@H]2CCCSC2)no1 534644112 WUKNOUUNWRBINM-JTQLQIEISA-N 240.372 2.783 0 50 BFAA CC1(C)[C@H](C(=O)O)[C@H]1c1ccncc1Cl 704351992 JLBPTHNSZBIABU-BDAKNGLRSA-N 225.675 2.559 0 50 BFAA FC1CC(CN[C@@H]2CCc3ccccc3OC2)C1 2325771894 ZEZNIUHAUIKUHY-UXUKBGGZSA-N 249.329 2.718 0 50 BFAA C[C@H]1CCCN(CCC(=O)Nc2ccccc2)C1 176338 JVSTVTLENBVWNU-ZDUSSCGKSA-N 246.354 2.747 0 50 BFAA CCNc1ccc2c(Cl)cc(=O)oc2c1 369399 OHVFDYQBAHVHMB-UHFFFAOYSA-N 223.659 2.878 0 50 BFAA Cc1n[nH]c(C)c1NC(=S)Nc1ccccc1 612784 UFUNUJNHBLFDTF-UHFFFAOYSA-N 246.339 2.835 0 50 BFAA CCOC(=O)CC(=O)CCC1CCCCC1 2518219 CYVJFXKWPLHZTD-UHFFFAOYSA-N 226.316 2.869 0 50 BFAA in-vitro O=C(O)Cc1c(F)ccc(Cl)c1Cl 2527798 SQADAIPGCGGTQM-UHFFFAOYSA-N 223.030 2.760 0 50 BFAA O=C(O)c1c(-c2ccccc2)nc2ccccn12 2562231 WJWJFXUNWPMQSU-UHFFFAOYSA-N 238.246 2.700 0 50 BFAA in-vitro COC(=O)Cc1ccc(Cl)cc1Cl 2566210 SRCVNBFTEARRJY-UHFFFAOYSA-N 219.067 2.709 0 50 BFAA in-vitro Oc1ccc(Cl)cc1-c1csnn1 4343263 XDEAAEHLSPSZCX-UHFFFAOYSA-N 212.661 2.564 0 50 BFAA CCCC(=O)Nc1nc2c(s1)CCCC2 4696290 GMCZCIZVVBYJEC-UHFFFAOYSA-N 224.329 2.761 0 50 BFAA C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2C)CC(C)(C)C1 5696393 HCNCEEAFXADKPJ-NOOOWODRSA-N 223.360 2.973 0 50 BFAA CC(C)Oc1ccc(C(=O)N2CCCC2)cc1 6746392 QYFZAUFNDSHHQU-UHFFFAOYSA-N 233.311 2.710 0 50 BFAA NCC1CCN(Cc2ccc(Cl)cc2)CC1 11889010 WHVIVCBGEGNBKW-UHFFFAOYSA-N 238.762 2.511 0 50 BFAA CC(C)n1c(CCCN)nc2ccccc21 12484724 FCCQEQFJYHDCAY-UHFFFAOYSA-N 217.316 2.509 0 50 BFAA OCCCCCNCc1ccc(Cl)cc1 13717821 HTTNAEGRYCTSGI-UHFFFAOYSA-N 227.735 2.592 0 50 BFAA CC(C)C(=O)NC(C)(C)Cc1ccccc1 40620951 PPSCSOROTIYBTE-UHFFFAOYSA-N 219.328 2.780 0 50 BFAA COc1nc2ccccc2cc1-c1ncc[nH]1 67871891 KAIBGQSCWSHAFL-UHFFFAOYSA-N 225.251 2.634 0 50 BFAA CC1(C)CO[C@@H](c2ccccc2Cl)NC1=O 71779193 XZSJAVPWRQZGGZ-JTQLQIEISA-N 239.702 2.511 0 50 BFAA COC(=O)c1nc(Cl)ccc1C(F)(F)F 82049880 UWHUOSHQHVKPQY-UHFFFAOYSA-N 239.580 2.540 0 50 BFAA in-vitro COc1ccc(Cc2ccncc2)cc1OC 95918177 WPOOPICHJSSEFI-UHFFFAOYSA-N 229.279 2.690 0 50 BFAA OCCCCCn1ccc2ccc(F)cc21 114416638 JWNQXFNTISSPKJ-UHFFFAOYSA-N 221.275 2.943 0 50 BFAA CC(=O)Nc1cc(F)c(C)c2c1C(=O)CCC2 141417000 PSNRFAKPOCIEDV-UHFFFAOYSA-N 235.258 2.612 0 50 BFAA Cn1cccc1-c1nc(-c2ccccc2)no1 171776696 HSIHVUZOWVVLKA-UHFFFAOYSA-N 225.251 2.742 0 50 BFAA C=CC(=O)O[C@H]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C1 242687328 UFMAVTXURXGNCN-SSMOUHFUSA-N 206.285 2.540 0 50 BFAA CCOc1cc(O)cc(Cl)c1OCC 261493394 AGBUASVBZKAZLQ-UHFFFAOYSA-N 216.664 2.843 0 50 BFAA CCSc1cc(CNc2ncccn2)ccn1 274983214 CDDGBUWCUWZZOU-UHFFFAOYSA-N 246.339 2.596 0 50 BFAA C[C@@]1(F)CCCN(C(=O)c2ccsc2)C1 295640660 TWFVCGSVXKTBLO-LLVKDONJSA-N 227.304 2.712 0 50 BFAA C/C=C(/OCC)[C@]1(O)CCc2ccccc21 309167619 HCGVDRLYABZWBN-MIJQFGFMSA-N 218.296 2.761 0 50 BFAA Cc1n[nH]cc1-c1cccc(C(F)(F)F)n1 426472727 KTIXPWJWEQPHFN-UHFFFAOYSA-N 227.189 2.799 0 50 BFAA Cc1ccc(F)cc1-c1c(C)nn(C)c1C(=O)O 534658227 GCGKSOAMPWAPSU-UHFFFAOYSA-N 248.257 2.541 0 50 BFAA CC(F)(F)COc1ccc(N)cc1Cl 601014747 AFSISFKHBCALOJ-UHFFFAOYSA-N 221.634 2.956 0 50 BFAA Cc1ncsc1CNC1CC(CF)(CF)C1 657874625 WJMBTCXOWAMPMC-UHFFFAOYSA-N 246.326 2.629 0 50 BFAA CC[C@H](C(=O)O)C1CCC(F)(F)CC1 685951317 GBIYVTGHSASMIY-QMMMGPOBSA-N 206.232 2.923 0 50 BFAA CCCCn1nc(C)cc1NC(=O)C1CC=CC1 1529166917 AGAGHGOSVPYVSS-UHFFFAOYSA-N 247.342 2.896 0 50 BFAA CCOc1ccc(-c2cc(=N)[nH]cn2)c(CC)c1 2325773074 QGNKLNNXUSFBGL-UHFFFAOYSA-N 243.310 2.517 0 50 BFAA COc1ccccc1NC(=O)c1ccc(C)o1 60914 IXVRTKFIFXBGQF-UHFFFAOYSA-N 231.251 2.849 0 50 BFAA O=C1CCc2cc(Br)ccc21 156323 KSONICAHAPRCMV-UHFFFAOYSA-N 211.058 2.578 0 50 BFAA Nc1cccc2[nH]c(-c3ccccc3)nc12 226022 PVNHYDDCQMHWAL-UHFFFAOYSA-N 209.252 2.812 0 50 BFAA C[C@@H](Cc1ccccc1)NC(=O)C1CCC1 355263 HZJJJNWTUSNFFH-NSHDSACASA-N 217.312 2.534 0 50 BFAA COC(=O)[C@@H](C)CSc1ccccc1 396236 GLYXACFPCLUSBA-VIFPVBQESA-N 210.298 2.588 0 50 BFAA O=C(O)C1(c2ccccc2)CCCCC1 404949 QXXHHHWXFHPNOS-UHFFFAOYSA-N 204.269 2.973 0 50 BFAA in-vitro CCOC(=O)C1=Cc2cc(Cl)ccc2OC1 1388129 GROZIKGJLUCJFB-UHFFFAOYSA-N 238.670 2.679 0 50 BFAA Cc1cc2nc(SCCO)nc(C)c2cc1C 1754422 FCUFCWLGCCMWOV-UHFFFAOYSA-N 248.351 2.639 0 50 BFAA CCCNC(=O)Nc1ccc(C)c(F)c1 2167750 IGNCHLNFZGGJNY-UHFFFAOYSA-N 210.252 2.666 0 50 BFAA Cc1ccn(-c2ccc(NC(=O)C3CC3)cc2)n1 4512178 IYIHXSJLXGXNIH-UHFFFAOYSA-N 241.294 2.529 0 50 BFAA CN1CCO[C@@]12CCCC[C@@H]2Oc1ccccc1 44125714 IHEOZRCZMDIADV-LSDHHAIUSA-N 247.338 2.666 0 50 BFAA CN(C)C(=O)c1ccc(-c2ccc(O)cc2)cc1 65340092 KAVBJKJZODAIRN-UHFFFAOYSA-N 241.290 2.761 0 50 BFAA in-vitro Cc1ccc(CNc2ccc(F)cn2)nc1 134437225 FMCWSLJZAOSSMO-UHFFFAOYSA-N 217.247 2.536 0 50 BFAA C1=C[C@@H](N2CCC[C@H](c3ccn[nH]3)C2)CCC1 229604912 XNLAIEAWDUVTBS-QWHCGFSZSA-N 231.343 2.698 0 50 BFAA CCCCNC(=O)c1cccc([C@@H]2CCOC2)c1 270465535 GIIYAWPPVMAJSJ-CQSZACIVSA-N 247.338 2.720 0 50 BFAA CC(C)c1ncc(NC(=O)C2CC=CC2)cn1 279905165 JGYYAWYDEUCCMZ-UHFFFAOYSA-N 231.299 2.505 0 50 BFAA CC1=C[C@H](C)[C@@]2(CO)CO[C@@H](C(C)C)[C@H]1[C@@H]2C 299872741 BNAPJYMSXNSYQF-SBJFKYEJSA-N 238.371 2.868 0 50 BFAA CCN(C)C(=O)Nc1ccc(F)c(F)c1C 334870623 BBBIVMMQQRUENZ-UHFFFAOYSA-N 228.242 2.757 0 50 BFAA Cc1cc(-c2ccc3ccnc(O)c3c2)n[nH]1 534576091 IYBPEBNUUHYYQT-UHFFFAOYSA-N 225.251 2.639 0 50 BFAA CN(c1nc(-c2ccncc2)cs1)C1CC1 1615590293 NAMBDXUSVLPBFX-UHFFFAOYSA-N 231.324 2.804 0 50 BFAA Cc1ccc(Cc2nnnn2C2CCCC2)cc1 2325839291 OKSAGVJFCTUDSE-UHFFFAOYSA-N 242.326 2.687 0 50 BFAA O=C(/C=C/c1ccccc1)Nc1nccs1 38680 HKTMXBUQDTYWOK-VOTSOKGWSA-N 230.292 2.795 0 50 BFAA CCCC(=O)Oc1ccc2c(C)cc(=O)oc2c1 41419 WKPUJZVCZXWKCK-UHFFFAOYSA-N 246.262 2.807 0 50 BFAA biogenic,in-vitro OCc1ccccc1CNC1CCCCC1 64936 GECMHKWBEHHGMQ-UHFFFAOYSA-N 219.328 2.601 0 50 BFAA in-vitro COc1ccccc1C(=O)Nc1ccccc1 290991 RZGWIZIPFZROQZ-UHFFFAOYSA-N 227.263 2.948 0 50 BFAA CCC[C@@H](C)C(=O)Nc1ccc(C(=O)OC)cc1 457014 FVMBDJKRBLOGKH-SNVBAGLBSA-N 249.310 2.848 0 50 BFAA CC[C@@H](Oc1cccc(Cl)c1)C(=O)O 2581487 LTNOFNYWTSJBRJ-SECBINFHSA-N 214.648 2.582 0 50 BFAA O=C(O)c1cc2ccc(Br)cc2[nH]1 2582710 SVBVYRYROZWKNJ-UHFFFAOYSA-N 240.056 2.629 0 50 BFAA in-vitro O=c1cc[nH]c2c(Cl)c(Cl)ccc12 6590882 BAKZFDCDUQGTCL-UHFFFAOYSA-N 214.051 2.835 0 50 BFAA in-vitro CNc1ccc(Br)cc1C 20042905 VCZTYYHYOULJLT-UHFFFAOYSA-N 200.079 2.799 0 50 BFAA in-vitro C[C@@](O)(c1ccccc1)c1ccccc1N 32233004 MNFIFVDJWVLIMQ-CQSZACIVSA-N 213.280 2.525 0 50 BFAA O=c1cc(C(F)(F)F)c2cc(F)ccc2[nH]1 36405633 WUFRBOSKPZUGIS-UHFFFAOYSA-N 231.148 2.686 0 50 BFAA Nc1ccc(OCc2ccccc2)cc1C(=O)O 37933323 FHVFMMVAAUIJQE-UHFFFAOYSA-N 243.262 2.546 0 50 BFAA O=C1CC[C@H]2[C@@H]1C=CC21SCCCS1 45072265 VLGFSYYRLIRPBV-IUCAKERBSA-N 226.366 2.718 0 50 BFAA Cc1ccc2cc(CCC(=O)O)ccc2n1 82780822 LURYMRBYPPRURF-UHFFFAOYSA-N 215.252 2.560 0 50 BFAA O[C@H](c1cccc(Br)c1)C(F)F 87686909 OEAKNZDZYSNZMG-SSDOTTSWSA-N 237.043 2.748 0 50 BFAA Cc1cc(C)n(C2CN(C[C@@H]3CC=CCC3)C2)n1 97813866 MHZYIQBGJMGLSC-CQSZACIVSA-N 245.370 2.713 0 50 BFAA O=Cc1cccc2cc(Br)cnc12 134040845 AXABLSRVYDFNNR-UHFFFAOYSA-N 236.068 2.810 0 50 BFAA C[C@H]1CCC[C@@H](NCc2c(Cl)cnn2C)C1 194621350 KTIISIGUYLKCRX-VHSXEESVSA-N 241.766 2.742 0 50 BFAA Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 204073785 CDOOFCVFVCDFSC-UHFFFAOYSA-N 235.596 2.710 0 50 BFAA C[C@H]1[C@H](c2ccccc2)CCN1c1cnccn1 267574412 XWKLFHKWBAZNMJ-GXTWGEPZSA-N 239.322 2.859 0 50 BFAA Cc1ccnc(C)c1NC(=O)C1C[C@H]2C[C@@H]2C1 306089587 LHEQMRNQZMMUKL-GHMZBOCLSA-N 230.311 2.683 0 50 BFAA N=c1[nH]nc(S[C@H]2C=CCCCCC2)s1 328646476 HHKZVLKEQPJFTI-QMMMGPOBSA-N 241.385 2.932 0 50 BFAA Cc1ccc(-c2ccc(N(C)C)nc2)nc1C 426415656 SJQNVLLUBODUJJ-UHFFFAOYSA-N 227.311 2.826 0 50 BFAA Nc1cc(F)c(Cl)c(Br)c1 575720485 XPKPUVCHXFMSBC-UHFFFAOYSA-N 224.460 2.824 0 50 BFAA c1nc(N2CC[C@@H](C3CCC3)C2)c2cc[nH]c2n1 665755794 QMSALGTZZYCGKE-LLVKDONJSA-N 242.326 2.584 0 50 BFAA O=c1[nH]c(-c2ccc(Cl)cc2)cn2cccc12 1775973165 MHHABSZUKBWCBY-UHFFFAOYSA-N 244.681 2.948 0 50 BFAA C=CC(=O)N1CCC[C@@H]1c1c(F)cccc1OC 1776003108 AOVCOTFWMTYWIJ-LLVKDONJSA-N 249.285 2.684 0 50 BFAA CC(C)C(=O)Nc1ccc(Cl)cc1C(=O)O 98537 OEVILGFILDPPFV-UHFFFAOYSA-N 241.674 2.633 0 50 BFAA O=C(c1ccc(O)cc1)c1ccccc1F 156427 FHFDJJWFCDGBEM-UHFFFAOYSA-N 216.211 2.762 0 50 BFAA Cc1ccc(OCC(=O)NC2CCCCC2)cc1 323452 OACMLSIEHCHYCQ-UHFFFAOYSA-N 247.338 2.823 0 50 BFAA Brc1cccc2ncccc12 331139 CHODTZCXWXCALP-UHFFFAOYSA-N 208.058 2.997 0 50 BFAA in-vitro CC(=O)c1ccc(NC(=O)c2ccncc2)cc1 356136 WGGVDOFTTMYSRV-UHFFFAOYSA-N 240.262 2.537 0 50 BFAA O=C1C[C@H](c2ccccc2)c2cc(O)ccc2O1 436522 CTYPLGFAIKYKIV-GFCCVEGCSA-N 240.258 2.833 0 50 BFAA CCn1ccc(C(=O)Nc2cccc(Cl)c2)n1 467789 TVAXXOORGPHUNK-UHFFFAOYSA-N 249.701 2.809 0 50 BFAA COc1ccc(OC)c([C@@H]2CCCC[C@@H]2O)c1 1715776 IPBLFABLABBHLF-AAEUAGOBSA-N 236.311 2.722 0 50 BFAA CCCCn1c(NC(C)=O)nc2ccccc21 2269948 UYHOQQAQYSCCSF-UHFFFAOYSA-N 231.299 2.795 0 50 BFAA Fc1cc(Br)cnc1Cl 2524878 OEKXUEWGXWCENG-UHFFFAOYSA-N 210.433 2.637 0 50 BFAA in-vitro Cc1c(C)c(C)c2c(c1C)C(=O)C[C@H]2C(=O)O 3848036 XJQGZBYITZDJTQ-SNVBAGLBSA-N 232.279 2.675 0 50 BFAA biogenic C[C@@H]1C[C@H](C[C@@H]2CC[C@H](N)[C@H](C)C2)CC[C@@H]1N 4538048 IGSBHTZEJMPDSZ-MBIARJLFSA-N 238.419 2.904 0 50 BFAA in-vitro Cn1c(C(=O)O)cc2c(Cl)cccc21 8417222 VGCZPBOQBLXWRG-UHFFFAOYSA-N 209.632 2.530 0 50 BFAA in-vitro CCOc1ccc2c(c1)[C@H](O)CC(C)(C)O2 11568129 BZBKSEGFBFWCKO-LLVKDONJSA-N 222.284 2.680 0 50 BFAA NC[C@H]1CCN(c2cccc3ccccc23)C1 12404782 DGPOILQADQPEOY-GFCCVEGCSA-N 226.323 2.625 0 50 BFAA in-vitro Cc1cccc(-n2nc(C)c(C=O)c2C)c1 19507920 GTZJSXHDYKPNCI-UHFFFAOYSA-N 214.268 2.610 0 50 BFAA in-vitro Cc1cnc(-c2ccc3ncccc3c2)nc1N 20119461 DWZAIGSKEZXFQZ-UHFFFAOYSA-N 236.278 2.582 0 50 BFAA CN(CC1CCNCC1)C1CCCCCC1 36328715 WDRSRIUDUFMGAO-UHFFFAOYSA-N 224.392 2.641 0 50 BFAA CCc1nc(N(C)C)c2cc(C)sc2n1 41090640 CQBDBNHQDLRHSB-UHFFFAOYSA-N 221.329 2.628 0 50 BFAA Cc1cccc2nc(-c3nccs3)[nH]c12 67740011 FDUZDXKZCIQUST-UHFFFAOYSA-N 215.281 2.995 0 50 BFAA C[C@]1(CO)CC=CC[C@H]1C1SCCS1 71786093 DLZUEOJCEYNJOF-GXSJLCMTSA-N 230.398 2.757 0 50 BFAA Nc1nccc2c(Br)csc12 95629892 QDSYOJPMDVXZIR-UHFFFAOYSA-N 229.102 2.641 0 50 BFAA COc1cc(NCc2cncs2)ccc1F 162897236 QQCGMVJAQYDOOE-UHFFFAOYSA-N 238.287 2.903 0 50 BFAA Cc1ccccc1N1NC2(CCCCC2)NC1=O 334160904 OHPCHOPFHIZRJI-UHFFFAOYSA-N 245.326 2.690 0 50 BFAA COc1cc(-c2ccsc2C=O)ccn1 725242506 LRGNPXIOVSJLOD-UHFFFAOYSA-N 219.265 2.631 0 50 BFAA Cn1ccnc1-c1ocnc1Cc1ccccc1 2356168814 OOEIBCXRBVRZMX-UHFFFAOYSA-N 239.278 2.666 0 50 BFAA Cc1ccc(C(=O)NCc2ccco2)cc1 37530 BJNKXNBPVDNGMF-UHFFFAOYSA-N 215.252 2.518 0 50 BFAA O=C(c1ccc(Cl)cc1)N1CCCCC1 37541 GFOLEAQQESSXFL-UHFFFAOYSA-N 223.703 2.966 0 50 BFAA in-vitro Cc1cc(C)nc(Nc2cccc(O)c2)n1 84757 HLDRMBWIBILLLN-UHFFFAOYSA-N 215.256 2.543 0 50 BFAA in-vitro O=C(c1ccc(O)cc1)c1ccc(F)cc1 154654 HLRVUOFDBXRZBI-UHFFFAOYSA-N 216.211 2.762 0 50 BFAA biogenic,in-vitro Nc1ccc(N2CCCCC2)c(Cl)c1 157383 NIGYLYWAEONQRX-UHFFFAOYSA-N 210.708 2.913 0 50 BFAA in-vitro C[C@@H]1CCCCN1C(=O)C(Cl)(Cl)Cl 450139 IMYPMKJGSFJCTO-ZCFIWIBFSA-N 244.549 2.758 0 50 BFAA Brc1ccc(-c2c[nH]cn2)cc1 459533 YLIOAWKNPLJMID-UHFFFAOYSA-N 223.073 2.839 0 50 BFAA in-vitro Nc1ccc(C(=O)c2cccs2)cc1 1013309 SZVBEQYGAAQDTR-UHFFFAOYSA-N 203.266 2.561 0 50 BFAA in-vitro Nc1ccnc2ccc(Br)cc12 2513557 FNXZGQRYAJYZLP-UHFFFAOYSA-N 223.073 2.580 0 50 BFAA in-vitro O=C(O)c1ccccc1-c1cccc(O)c1 2528945 JIKAGDRSOLWVAB-UHFFFAOYSA-N 214.220 2.757 0 50 BFAA in-vitro CCCOc1ccc(/C=C/C(=O)O)cc1 2571619 WTYNDSOJMSGRQV-VMPITWQZSA-N 206.241 2.573 0 50 BFAA biogenic,in-vitro CCOc1ccc(Br)cc1C(=O)O 2584131 ZCFIATVCNUJMDP-UHFFFAOYSA-N 245.072 2.546 0 50 BFAA in-vitro CCn1c([C@H]2CCCO2)nc2ccccc21 4386846 RTVLHXYBEKPZNC-GFCCVEGCSA-N 216.284 2.908 0 50 BFAA COC(=O)C1(c2cccc(Cl)c2)CC1 9280726 QSOSXLRFBBFQEJ-UHFFFAOYSA-N 210.660 2.545 0 50 BFAA Cc1ncsc1CNCc1ccccc1 19088127 UWWBVYACNRPSKL-UHFFFAOYSA-N 218.325 2.741 0 50 BFAA CCN(CC)CCN(C)Cc1ccc(F)cc1 19635998 XQXOLXNQYVZFDP-UHFFFAOYSA-N 238.350 2.599 0 50 BFAA Nc1c(C(=O)c2ccccc2)ccnc1Cl 38976789 MPSCEEZYOQADQE-UHFFFAOYSA-N 232.670 2.548 0 50 BFAA CCOC(=O)C(=O)c1cccc(C(C)(C)C)c1 43504363 QSCOBHUKASAZTJ-UHFFFAOYSA-N 234.295 2.730 0 50 BFAA CCOC(=O)C(F)(F)c1ccc(F)cc1F 55237939 YAKBPASPIJTDDM-UHFFFAOYSA-N 236.164 2.620 0 50 BFAA in-vitro CC(C)(C)OC(=O)Nc1ncc(Cl)cc1O 98179744 UCZOCPZOKRYOGX-UHFFFAOYSA-N 244.678 2.788 0 50 BFAA CC(C)(C)OC(=O)n1ccc2c1CCCC2=O 116865660 XRYXQDYFSBOZFJ-UHFFFAOYSA-N 235.283 2.790 0 50 BFAA CCc1cc(O)c(F)cc1Br 146138668 AGPCZZAYJRAENV-UHFFFAOYSA-N 219.053 2.856 0 50 BFAA in-vitro C[C@H](NCCO)c1ccc(OC(C)(C)C)cc1 156727190 WZVMMBTVRVJCIK-NSHDSACASA-N 237.343 2.507 0 50 BFAA O[C@H]1Cc2ccc(NCCCCCF)cc2C1 253415873 LOUSHPQFPIEJGS-AWEZNQCLSA-N 237.318 2.698 0 50 BFAA c1nc(N2CCC[C@H](C3CC3)C2)c2cc[nH]c2n1 288369508 YKGBVIBUTZUXRM-NSHDSACASA-N 242.326 2.584 0 50 BFAA CC1(C)CC(NCc2cn3ccsc3n2)C1 335769594 ANRKTIOQFBLRNK-UHFFFAOYSA-N 235.356 2.674 0 50 BFAA O=C(C[C@H]1CC1(F)F)NC1(C2CCCC2)CC1 534661861 GYTFIYQAJIGCLK-JTQLQIEISA-N 243.297 2.871 0 50 BFAA Cc1ccncc1[C@@H](C)N[C@@H](C)c1nccn1C 678770294 LCTJIIZXCOPGIL-NEPJUHHUSA-N 244.342 2.535 0 50 BFAA O=Cc1sccc1-c1cccc(O)c1 725270152 XYTKNYSILOBGMR-UHFFFAOYSA-N 204.250 2.933 0 50 BFAA COc1cc(Cl)cc(C2=CCCNC2)c1 829377464 CKOTYIVGALAVKI-UHFFFAOYSA-N 223.703 2.725 0 50 BFAA CCC(C)(C)Nc1nnc(-c2cccn2C)o1 901406772 FVUBSXIKOQNVRF-UHFFFAOYSA-N 234.303 2.676 0 50 BFAA Clc1ccc([C@@H]2[N@@]3CCCC[N@@]23)cc1 1857524871 HBAJHOSTAJJISF-DEZZGGKRSA-N 208.692 2.665 0 50 BFAA C[C@@H]1CCC[C@@H](NCC(C)(C)CN(C)C)C1 280101 FXQSOXZVJSHFRS-CHWSQXEVSA-N 226.408 2.743 0 50 BFAA COc1ccc(NC(=O)c2ccco2)cc1OC 299924 PQXYUJDLUJQSOP-UHFFFAOYSA-N 247.250 2.549 0 50 BFAA O=Cc1nc2ccccc2n1Cc1ccccc1 308157 FLSACHQTKKDWED-UHFFFAOYSA-N 236.274 2.897 0 50 BFAA Cc1ccc(CC(=O)NCc2ccccc2)cc1 578081 SYYNPURZAGTXQS-UHFFFAOYSA-N 239.318 2.854 0 50 BFAA FC(F)[C@@H]1C[C@H](c2ccco2)Nc2ccnn21 2783356 HMUFMRKIUCOGLX-SFYZADRCSA-N 239.225 2.839 0 50 BFAA COCCNCc1c(OC)ccc2ccccc12 6728838 CCRGGSBFIYQGDP-UHFFFAOYSA-N 245.322 2.584 0 50 BFAA C[C@H]1C[C@@H](C)CN(C(=O)CC(C)(C)C)C1 16958085 FOOJLMYCTOSUCR-PHIMTYICSA-N 211.349 2.927 0 50 BFAA CCc1noc(-c2cccc(-c3ncc[nH]3)c2)n1 20255382 PMTQGZHWHTVSCI-UHFFFAOYSA-N 240.266 2.689 0 50 BFAA CCOC(=O)C(=O)c1c(C)ccc2ccccc12 43209636 NUQYTOHXWRLOSS-UHFFFAOYSA-N 242.274 2.894 0 50 BFAA O=C1Cc2ccccc2-c2ccccc2N1 65740123 XENVIBFIIPSBJW-UHFFFAOYSA-N 209.248 2.848 0 50 BFAA in-vitro CNC(C)(C)C(=O)c1ccc(SC)cc1 96027216 FYLZQZIXNXBMTC-UHFFFAOYSA-N 223.341 2.589 0 50 BFAA O=C(O)C12c3ccccc3[C@H]3C1[C@@H]3c1ccccc12 100970683 FKSIIJYNCZTDFV-LXTOLFJKSA-N 248.281 2.882 0 50 BFAA Cc1ccccc1C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2 101667556 ZTIONCYYHVIAPN-SGMGOOAPSA-N 229.323 2.913 0 50 BFAA CCCn1ncnc1-c1cc(F)ccc1OC 426386239 AUOACKCVIUCMQQ-UHFFFAOYSA-N 235.262 2.503 0 50 BFAA Cn1cc(-c2ncccc2C(F)(F)F)cn1 426599782 SKRWREGMVXQLJH-UHFFFAOYSA-N 227.189 2.501 0 50 BFAA CC1(C)CCc2nnc(C3CCCC3)n2C1 1616039133 WAPVBZDEWUJKMM-UHFFFAOYSA-N 219.332 2.908 0 50 BFAA CCn1ncc(-c2cnc(OC)cc2C)c1C 2356150225 RWMSSZLKGTYZBK-UHFFFAOYSA-N 231.299 2.590 0 50 BFAA O=C(O)CSc1ccc(Cl)cc1 75397 YPKLXLYGMAWXDO-UHFFFAOYSA-N 202.662 2.517 0 50 BFAA in-vitro Cc1occc(=O)c1OC(=O)Nc1ccccc1 503514 FBHMLQDZBATYLG-UHFFFAOYSA-N 245.234 2.559 0 50 BFAA O=c1ccn(Cc2ccccc2Cl)cc1 1063804 ZCPMKPJIWFOWAL-UHFFFAOYSA-N 219.671 2.550 0 50 BFAA CCOC(=O)C(Br)(CC)CC 1673557 YIFZOOLBLJRSBG-UHFFFAOYSA-N 223.110 2.503 0 50 BFAA in-vitro CCC(C)(C)NC(=O)Cc1ccc(F)cc1 2847202 GGMLKDSMJOAAOK-UHFFFAOYSA-N 223.291 2.673 0 50 BFAA O=C(O)c1cc(-c2ccc3ccccc3c2)[nH]n1 4244828 JQMUXXNJOLCBJJ-UHFFFAOYSA-N 238.246 2.928 0 50 BFAA in-vitro Brc1ccccc1-n1cccn1 4277300 QNDJHGODPWAKAO-UHFFFAOYSA-N 223.073 2.635 0 50 BFAA in-vitro O=C(O)c1cc(Cl)cc(Cl)c1F 4648800 ONFMZPUMZYDTSL-UHFFFAOYSA-N 209.003 2.831 0 50 BFAA CN1CC[C@](O)(c2ccccc2)[C@H]2CCCC[C@@H]21 4990124 KKGRMEVELZFAQV-JYJNAYRXSA-N 245.366 2.769 0 50 BFAA C[C@H]1CC(=O)N1C12CC3CC(CC(C3)C1)C2 5723320 HGQHHCUMJFCKFI-BRZBPJHZSA-N 219.328 2.576 0 50 BFAA O=C1CC[C@@H]2[C@H]1C=CC21SCCCS1 45072267 VLGFSYYRLIRPBV-RKDXNWHRSA-N 226.366 2.718 0 50 BFAA CCOc1ccc(-c2c[nH]cn2)cc1OCC 67714440 YBNASGZAQMOTRU-UHFFFAOYSA-N 232.283 2.874 0 50 BFAA FC(F)c1ccc(Br)cn1 71623849 QXLZRIGSWWQOLG-UHFFFAOYSA-N 208.005 2.782 0 50 BFAA in-vitro COc1c(Br)ccc(F)c1F 74934319 DNXSLLIDTGLIHX-UHFFFAOYSA-N 223.016 2.736 0 50 BFAA in-vitro Clc1ccc2[nH]ncc2c1Br 89196335 HBWQXAIHQCZDAB-UHFFFAOYSA-N 231.480 2.979 0 50 BFAA in-vitro CCCCn1c(=N)sc2ccccc21 100725993 VLKXIFCCLWWJMX-UHFFFAOYSA-N 206.314 2.982 0 50 BFAA C=CC(=O)N1CCC(Cc2ccc(F)cc2)CC1 202357745 RGFTZYZSMJBKJK-UHFFFAOYSA-N 247.313 2.793 0 50 BFAA CCCC(CCC)N[C@H]1CC[C@H](O)CC1 244828653 UAEDFRPGHMHKLT-JOCQHMNTSA-N 213.365 2.848 0 50 BFAA O=C1CN(c2ccccc2F)c2ccccc2N1 259451454 WCTMFYJOYKWBKA-UHFFFAOYSA-N 242.253 2.916 0 50 BFAA COc1ccc(N[C@@H]2COC[C@@H]2C)cc1Cl 687996754 KRPUYNMAUAYVBK-GZMMTYOYSA-N 241.718 2.795 0 50 BFAA Cc1cc2c[nH]nc2cc1[C@@H]1CNCC[C@H]1C 757214547 UAAUECORJHRENF-NOZJJQNGSA-N 229.327 2.584 0 50 BFAA C=CC(=O)N[C@H]1CCSc2c(F)cccc21 791324129 UOTQOMDLQVADHT-JTQLQIEISA-N 237.299 2.665 0 50 BFAA C=CC(=O)N[C@@H](Cc1ccccc1)C(C)(C)C 1776000284 NYWFJSCMVBXGOH-ZDUSSCGKSA-N 231.339 2.946 0 50 BFAA C=CC(=O)Nc1ccc2c(c1)[C@@H](O)CCCC2 1776003405 NKNQMFANDYPVFS-ZDUSSCGKSA-N 231.295 2.571 0 50 BFAA CCOC(=O)c1cncn1[C@H](C)c1ccccc1 1408 NPUKDXXFDDZOKR-LLVKDONJSA-N 244.294 2.669 0 50 BFAA biogenic,fda CNC(=O)c1ccccc1Cc1ccccc1 396951 PFDZAYFQPDJTKK-UHFFFAOYSA-N 225.291 2.637 0 50 BFAA CC(C)CNC(=O)c1cccn1CC(C)C 1459119 CXZDIEKLBIJJOU-UHFFFAOYSA-N 222.332 2.530 0 50 BFAA C=CC(=O)OC(C)(C(F)(F)F)C(F)(F)F 2243142 ZGCKGVIUMPSSEG-UHFFFAOYSA-N 236.111 2.599 0 50 BFAA in-vitro c1ccc(-c2ccccc2N2CCNCC2)cc1 2243427 RKRVRTJVCWZOQS-UHFFFAOYSA-N 238.334 2.763 0 50 BFAA in-vitro Cc1cc(C)c2nc(C)cc(C(=O)O)c2c1 4487102 AODVVXXIFHFAMN-UHFFFAOYSA-N 215.252 2.858 0 50 BFAA in-vitro CCCCn1c([C@H](C)NC=O)nc2ccccc21 4810116 FNXGTBITEZHEFI-NSHDSACASA-N 245.326 2.643 0 50 BFAA CCCCNC(=O)N1CCCC[C@H]1CC 6699784 PTAJIXYWFQSSCR-LLVKDONJSA-N 212.337 2.761 0 50 BFAA CON(C)C(=O)c1ccc(Cl)cc1Cl 8730008 YVAUNJBXBZNYQJ-UHFFFAOYSA-N 234.082 2.627 0 50 BFAA Clc1ccc2[nH]nc(Br)c2c1 14983416 IYZOMWYZWTZTEQ-UHFFFAOYSA-N 231.480 2.979 0 50 BFAA in-vitro Nc1cc(C(F)(F)F)cc(Cl)c1O 15443451 RKJYNSFOVOVLQL-UHFFFAOYSA-N 211.570 2.647 0 50 BFAA in-vitro Cc1ccc(-c2cncc(C(=O)O)c2)cc1 16947032 VMJRUHLJFKPQHV-UHFFFAOYSA-N 213.236 2.755 0 50 BFAA in-vitro COc1ccc(NCC(C)C)cc1OC 19908515 CSFFYOFLHBAGLY-UHFFFAOYSA-N 209.289 2.772 0 50 BFAA CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NC1CC1 40456148 HKTVAKLTWAWERQ-CQSZACIVSA-N 247.338 2.739 0 50 BFAA CCCc1cc(Br)ccn1 44118284 WYLAQZLXZDHAED-UHFFFAOYSA-N 200.079 2.797 0 50 BFAA in-vitro C(=C/c1ccco1)\c1ccnc(N2CCCC2)n1 67320899 KCCBCIZDFJOKSQ-AATRIKPKSA-N 241.294 2.840 0 50 BFAA CC(=O)Nc1c(C)c(C)c(NC(C)=O)c(C)c1C 71774219 BEVBUPBUAZWGSF-UHFFFAOYSA-N 248.326 2.837 0 50 BFAA CN[C@@H](C)[C@H](Oc1ccccn1)c1ccccc1 96026547 BIAKARZBLXBSEF-WFASDCNBSA-N 242.322 2.810 0 50 BFAA Cc1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)c1 101472766 NLCGWYVJECREQR-SGMGOOAPSA-N 229.323 2.913 0 50 BFAA Cc1sc2nc(-c3ccc[nH]3)[nH]c(=O)c2c1C 134471470 OXLRGAIWJNSBDS-UHFFFAOYSA-N 245.307 2.597 0 50 BFAA O=Cc1c(F)cccc1N1CCC(F)(F)CC1 169725267 PAFJUQHSCWPLCH-UHFFFAOYSA-N 243.228 2.874 0 50 BFAA CC(=O)c1cnc2cc([Si](C)(C)C)oc2c1 169794248 PQSVBIPUESNCDX-UHFFFAOYSA-N 233.343 2.576 0 50 BFAA in-vitro Cc1cc(Br)c(F)c(O)c1F 215997002 VBYSLVVEXXRCAN-UHFFFAOYSA-N 223.016 2.741 0 50 BFAA CC(C)[C@H](C)CNC(=O)c1ccc2c(c1)NCC2 228550447 QHDMUOSIXHHUDS-LLVKDONJSA-N 246.354 2.677 0 50 BFAA Cc1ccc(CNc2ncccc2F)nc1 336582143 LKGWALJPUPWWQE-UHFFFAOYSA-N 217.247 2.536 0 50 BFAA Clc1ccc(=NC[C@@H]2C[C@H]2C2CC2)[nH]c1 382428661 ZCTNSTPJZMZVRQ-ONGXEEELSA-N 222.719 2.615 0 50 BFAA C[C@@H](CC1CCOCC1)NCc1ccccc1 408513129 CEGXTALLDDLIOH-ZDUSSCGKSA-N 233.355 2.981 0 50 BFAA Cc1nocc1NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 585126683 FTLQDANHMYNJQW-GARJFASQSA-N 234.299 2.748 0 50 BFAA CCCc1onc(-c2ccc(C)o2)c1C(=O)O 675057760 NQOFHBRRAFWISJ-UHFFFAOYSA-N 235.239 2.894 0 50 BFAA c1cc(-c2nccn2C[C@@H]2CCCCO2)ccn1 1875241499 DSCBAUJYIPSKRQ-ZDUSSCGKSA-N 243.310 2.514 0 50 BFAA Cc1ccc2cc(C(=O)NCC(C)C)cnc2c1 1875281519 FMZBCXAVFXURCT-UHFFFAOYSA-N 242.322 2.929 0 50 BFAA O=C(O)C12CC(CCCC(F)(F)F)(C1)C2 2325791682 NWUJIIUJCODPBX-UHFFFAOYSA-N 222.206 2.974 0 50 BFAA CC(C)c1ccc(NC(=O)c2cnccn2)cc1 69546 REPKUXPMFWYVDC-UHFFFAOYSA-N 241.294 2.852 0 50 BFAA CC(C)(C)NC(=O)c1cc2ccccc2o1 168842 FNGYHVMCXWTWFQ-UHFFFAOYSA-N 217.268 2.961 0 50 BFAA COC(=O)c1ccc(NC2CCCCC2)c(N)c1 216575 QZHHJKXBIHAXTB-UHFFFAOYSA-N 248.326 2.800 0 50 BFAA in-vitro C[C@@H]1CN(C2C3CC4CC(C3)CC2C4)C[C@@H](C)O1 761386 CARTZNRWSOUZSV-GVGOCWFNSA-N 249.398 2.920 0 50 BFAA Cc1cc(C(=O)Nc2cccnc2)cs1 1055319 SHJZWAQUAZXSLI-UHFFFAOYSA-N 218.281 2.704 0 50 BFAA CCN(CC)CCCOc1ccccc1OC 2497255 YEZMXLNHZUQEQW-UHFFFAOYSA-N 237.343 2.806 0 50 BFAA NCCc1cccc(Oc2ccccc2)c1 4269715 CNALSZKXQUFGDN-UHFFFAOYSA-N 213.280 2.980 0 50 BFAA in-vitro CCCCN(C(=O)[C@@H]1CCCO1)c1ccccc1 4868208 QSNLLCFMSBUQLM-AWEZNQCLSA-N 247.338 2.999 0 50 BFAA Cc1ccc(-n2c(C)n[nH]c2=S)cc1 8986165 AMEOKRGVIFDWLE-UHFFFAOYSA-N 205.286 2.547 0 50 BFAA in-vitro Oc1ccc(C(=S)N2CCCCC2)cc1 13130080 AXYKPBYGQHHZIY-UHFFFAOYSA-N 221.325 2.554 0 50 BFAA CNCCOc1c(C)cc(Cl)cc1Cl 16293844 ZGNVKDLDAZIIOS-UHFFFAOYSA-N 234.126 2.900 0 50 BFAA COc1cc(C)ccc1Br 21983919 OERVAQHUJAFULZ-UHFFFAOYSA-N 201.063 2.766 0 50 BFAA in-vitro Cc1c(Br)ccc2[nH]ncc12 36533266 QLQQQEUHPBMUCF-UHFFFAOYSA-N 211.062 2.634 0 50 BFAA in-vitro CCc1ccc([C@H](C)[C@H](C(C)=O)C(=O)O)cc1 43190899 GJVNRNNEIQSOIK-TVQRCGJNSA-N 234.295 2.642 0 50 BFAA O=Cc1cc(C(F)(F)F)c(F)cc1F 138847486 BTULJAYQJSSINL-UHFFFAOYSA-N 210.101 2.796 0 50 BFAA CC(C)(C)OC(=O)N1[C@H]2C=CC[C@H]1CC2 141148901 ZJQQGLKPJWUKNL-UWVGGRQHSA-N 209.289 2.714 0 50 BFAA O=C(N1[C@H]2CC[C@H]1c1ccccc12)C(F)(F)F 141950233 GQJHEXWUOZBYOT-UWVGGRQHSA-N 241.212 2.967 0 50 BFAA C[C@H]1CC[C@@H](Cn2cnc3ccccc32)O1 188531722 HKFHXFVASNJRMQ-QWRGUYRKSA-N 216.284 2.604 0 50 BFAA CC1=NN(c2ccc(C(C)C)cc2)C(=O)C1 200944781 AGTJCXJBRPPGJS-UHFFFAOYSA-N 216.284 2.923 0 50 BFAA CCCC[C@@H](C)C(=O)N1CCC[C@H]2OCC[C@H]21 225704522 YGPNQFSSTFFSTA-JHJVBQTASA-N 239.359 2.593 0 50 BFAA O=C1CC[C@]2(CC[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)O1 257355651 BWGQYUVNAHAZKO-SXTJYALSSA-N 206.285 2.518 0 50 BFAA CCc1cccc(CN2CCC[C@@](C)(O)CC2)c1 280196785 UJFMMDKTTRJMAB-MRXNPFEDSA-N 247.382 2.986 0 50 BFAA Cc1cc(C2CCC2)nc(-c2cc(C)[nH]n2)n1 426649821 YXGAAADCJGNJDU-UHFFFAOYSA-N 228.299 2.751 0 50 BFAA CCC1(CNC(=O)[C@]2(C)CCCCO2)CCC1 457622126 DQOAHQLIMGXALP-ZDUSSCGKSA-N 239.359 2.642 0 50 BFAA CCCCNC(=O)c1ccc(-c2c[nH]nc2C)o1 534658135 WJQGIXKPWKRROE-UHFFFAOYSA-N 247.298 2.508 0 50 BFAA CO[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCc1ccco1 824500083 XZPCHCFOHRUYJA-NHAGDIPZSA-N 249.354 2.854 0 50 BFAA O=C1NCc2ccc(-c3ccccc3)cc2N1 1239467619 XKYVTZAQPCSKDM-UHFFFAOYSA-N 224.263 2.989 0 50 BFAA C=CC(=O)Nc1ccc(-c2ocnc2C)cc1 1338395890 YRFOWFUZCFVWJY-UHFFFAOYSA-N 228.251 2.775 0 50 BFAA C[C@H]1CCCN(C(=O)CCc2ccccc2)C1 30482 OXWXZIOXNXGEQV-ZDUSSCGKSA-N 231.339 2.878 0 50 BFAA O=C(O)C(c1ccccc1)c1ccccc1 34687 PYHXGXCGESYPCW-UHFFFAOYSA-N 212.248 2.903 0 50 BFAA biogenic,in-vivo CC(C)Oc1ccc2ccc(=O)oc2c1 248378 XQYLBTNCDDGLDJ-UHFFFAOYSA-N 204.225 2.580 0 50 BFAA biogenic Cc1ccc(NC(=O)c2ccco2)cc1 281589 ZYJTZRHZTQZSNP-UHFFFAOYSA-N 201.225 2.840 0 50 BFAA O=C1CCCC[C@H]1C(=O)c1cccs1 337211 ALPXVBJYDYHXST-MRVPVSSYSA-N 208.282 2.690 0 50 BFAA O=C(Nc1ccccc1O)C1CCCCC1 362820 LPODFVORBFGQCP-UHFFFAOYSA-N 219.284 2.911 0 50 BFAA O=C(Nc1cccc(Cl)c1)C(F)(F)F 368461 VRKVCIVKSRGSLU-UHFFFAOYSA-N 223.581 2.841 0 50 BFAA biogenic Oc1ccccc1-c1cc(C(F)F)no1 510012 QXYFXJLVGVXIQX-UHFFFAOYSA-N 211.167 2.985 0 50 BFAA COC(=O)c1cccc(-c2ccccc2N)c1 1259168 NCMXOIMDAQPPLW-UHFFFAOYSA-N 227.263 2.722 0 50 BFAA in-vitro Nc1ccc(F)cc1C(=O)Cc1ccccc1 1304637 YPYITVHBZLLQRZ-UHFFFAOYSA-N 229.254 2.833 0 50 BFAA FC(F)[C@H]1C[C@H](c2ccco2)Nc2ccnn21 2783358 HMUFMRKIUCOGLX-HTQZYQBOSA-N 239.225 2.839 0 50 BFAA CCCC[C@H](CC)[C@H](O)[C@@H](C)[C@@H](C)O 4578626 LJGRJTMTDBCJEG-WHOHXGKFSA-N 202.338 2.581 0 50 BFAA in-vitro CC1(C)C[C@]1(C(=O)O)c1ccccc1F 19088848 AISGDNPYRXZDBS-GFCCVEGCSA-N 208.232 2.578 0 50 BFAA in-vitro Nc1cccc(C(=O)NCCC2=CCCCC2)c1 19736658 WGSOBBFZVAUDRZ-UHFFFAOYSA-N 244.338 2.889 0 50 BFAA CCOC(=O)c1coc(-c2ccccc2)n1 32131573 OMURDPWNJICYDW-UHFFFAOYSA-N 217.224 2.518 0 50 BFAA in-vitro COC(=O)c1ccc(Oc2ccccc2)nc1 44200139 FDJSCKXMBLOCMJ-UHFFFAOYSA-N 229.235 2.661 0 50 BFAA CCC[C@H](C)NC(=O)COc1ccc(C)cc1C 45966081 WAARHXOEZADDGH-ZDUSSCGKSA-N 249.354 2.987 0 50 BFAA NC(=S)Nc1cc(F)cc(C(F)(F)F)c1 67800242 ZWSMGOOQVBUIQP-UHFFFAOYSA-N 238.209 2.500 0 50 BFAA CCC/C=C/c1ccc2nc[nH]c(=O)c2c1 67935397 BDLCBFGFMXVJBZ-SNAWJCMRSA-N 214.268 2.736 0 50 BFAA CCCC[C@H](CN)NC(=O)c1ccc(C)c(C)c1 130388985 AJDVVCDBJJAYKP-CQSZACIVSA-N 248.370 2.551 0 50 BFAA FC(F)(F)c1cccnc1N1CCSC1 169725702 XKLPCWSHLOZMHU-UHFFFAOYSA-N 234.246 2.611 0 50 BFAA Cc1cc([C@@H](C)NCCc2ccnn2C)c(C)o1 225558692 LRVVTFJHOJXLJN-LLVKDONJSA-N 247.342 2.523 0 50 BFAA CN(C)C(=O)Sc1ccc(Cl)nc1 238854580 OKPPYJHRTJGXCY-UHFFFAOYSA-N 216.693 2.509 0 50 BFAA O[C@@H]1CCC[C@H]1CN[C@@H]1CCc2ccc(F)cc21 305169506 TYIDDNBNQPAVDN-NILFDRSVSA-N 249.329 2.564 0 50 BFAA O=C(O)c1coc(-c2cccc3cnccc23)n1 534639252 SXVUKOLYQZQQIO-UHFFFAOYSA-N 240.218 2.588 0 50 BFAA CC1=NO[C@@H](c2nc(-c3ccc(C)cc3)no2)C1 585133566 MJBZXOZZVPKCKW-LLVKDONJSA-N 243.266 2.882 0 50 BFAA O=C(Nc1nccnc1C1CC1)[C@H]1CC=CCC1 906412856 OIJPPVCOGMXPKM-NSHDSACASA-N 243.310 2.649 0 50 BFAA COc1cccc(OC)c1-c1nc(C)ncc1C 1239669639 QWAUTVCPEFELFF-UHFFFAOYSA-N 244.294 2.778 0 50 BFAA CC(C)(C)Cc1nnc2n1CC(C)(C)CC2 1616038269 KAGUKAPROQDCCF-UHFFFAOYSA-N 221.348 2.839 0 50 BFAA C[C@H](NC(=O)C1CC1)c1cccc2cccnc12 2325766862 WCKMAFSBEUESGO-JTQLQIEISA-N 240.306 2.822 0 50 BFAA Cc1cc(C)c2c(n1)sc1c(=O)oc(C)nc12 47804 ITXCIMMWLIRURE-UHFFFAOYSA-N 246.291 2.723 0 50 BFAA COc1cc(F)c(Br)c(OC)c1 56920 DGHHLXADLQCVKV-UHFFFAOYSA-N 235.052 2.605 0 50 BFAA in-vitro C[C@@]12CCCC[C@@H]1c1ccccc1C(=O)N2 93603 OILHGVNUGYSDRQ-TZMCWYRMSA-N 215.296 2.846 0 50 BFAA Cc1cc(C)nc(Sc2ccc(O)cc2)n1 154228 FBCAKJCKGFHPEQ-UHFFFAOYSA-N 232.308 2.950 0 50 BFAA in-vitro COc1ccccc1CNC1CCCC1 294253 OHGORSHWNTYOFQ-UHFFFAOYSA-N 205.301 2.727 0 50 BFAA in-vitro Cc1cnc(Cl)c(Br)c1 332253 ISNRJFOYJNIKTN-UHFFFAOYSA-N 206.470 2.806 0 50 BFAA in-vitro Cc1ccc2cc(CO)c(Cl)nc2c1 349863 ZULSNMQBGIVMGC-UHFFFAOYSA-N 207.660 2.689 0 50 BFAA in-vitro CN(C)C(=O)Nc1cccc(Br)c1 398257 BZQYHZYTUBMDPQ-UHFFFAOYSA-N 243.104 2.543 0 50 BFAA CC(=O)[C@@H](C)Oc1ccccc1-n1cccc1 1397898 AMXKWFOFMGEWAA-GFCCVEGCSA-N 229.279 2.834 0 50 BFAA O=C(c1cc(F)c(F)c(F)c1)C(F)(F)F 2378574 FUCOIMRDYLXIPA-UHFFFAOYSA-N 228.091 2.849 0 50 BFAA COc1cccc(F)c1Br 2510744 RNUBPKHSQXYYCV-UHFFFAOYSA-N 205.026 2.597 0 50 BFAA biogenic,in-vitro CCCN1CCC(N(CCC)CC2CC2)CC1 3683620 KRXVSNSIUXBPMC-UHFFFAOYSA-N 238.419 2.983 0 50 BFAA CC1CCN(C2=CC(=O)OC23CCCCC3)CC1 5524009 YKZSTNRBKXZVBP-UHFFFAOYSA-N 249.354 2.862 0 50 BFAA CCc1ccc([C@@H](C)NC(=O)[C@@H]2CCCO2)cc1 6698186 CRKWRKJYTWXEFR-RISCZKNCSA-N 247.338 2.605 0 50 BFAA COC[C@H](C)NCc1ccc(C(F)(F)F)cc1 19904481 UOYKODSVWADPAZ-VIFPVBQESA-N 247.260 2.830 0 50 BFAA CC[C@@](NC=O)(c1ccc(F)cc1)C(C)C 44124830 NDQGQPTTZXQRJE-ZDUSSCGKSA-N 223.291 2.833 0 50 BFAA CC(=O)Nc1cc(F)c(Cl)c(F)c1 65336902 CYAIADZKNAOZHU-UHFFFAOYSA-N 205.591 2.577 0 50 BFAA in-vitro CC1(O)C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 146412328 JJEDXOPZTSQJJJ-YIONKMFJSA-N 231.339 2.564 0 50 BFAA Cc1ccccc1-n1c(=O)[nH]c2cc(F)ccc21 169837374 VSAXKZRPZLFSQY-UHFFFAOYSA-N 242.253 2.766 0 50 BFAA Cc1ncsc1-c1ccc(C=O)cc1 198885531 WJBCZOBAEUCEMA-UHFFFAOYSA-N 203.266 2.931 0 50 BFAA in-vitro C[C@H]1[C@H](C)CCC[C@H]1NC(=O)c1ccccn1 248059926 CWMQOLYRWYJRRD-GRYCIOLGSA-N 232.327 2.636 0 50 BFAA CC(C)(CCO)Nc1ccccc1Cl 257373282 UMFBIZZIGNVNCG-UHFFFAOYSA-N 213.708 2.913 0 50 BFAA Cc1cc(CN2CCC[C@@H]2c2cccnc2)on1 336397996 NYXYISYCJDIVCI-CQSZACIVSA-N 243.310 2.715 0 50 BFAA NCC1(c2cccc(OC(F)(F)F)c2)CCC1 390822229 XIVSNGNGRGZYRC-UHFFFAOYSA-N 245.244 2.966 0 50 BFAA Cc1cc2cc(NC(=O)[C@H]3CCCO3)ccc2o1 828124114 WEIFGYHPPLKAAW-CYBMUJFWSA-N 245.278 2.859 0 50 BFAA c1cn2c(-c3ccc4[nH]ccc4c3)cnc2cn1 2356159834 RYWLVWPNIJTJOD-UHFFFAOYSA-N 234.262 2.878 0 50 BFAA O=c1cc(-c2ccncc2)c2ccc(O)cc2o1 153915 PTBKPYBPJZBSMP-UHFFFAOYSA-N 239.230 2.561 0 50 BFAA in-vitro Brc1cncc2ccccc12 157206 SCRBSGZBTHKAHU-UHFFFAOYSA-N 208.058 2.997 0 50 BFAA in-vitro COc1ccc(OC)c(C(=O)c2ccccc2)c1 295756 PKEAHRFPMAHKBR-UHFFFAOYSA-N 242.274 2.935 0 50 BFAA CC(C)NC(=O)[C@H](C)SCc1ccccc1 379733 ZUBJFVQHAUULMC-NSHDSACASA-N 237.368 2.833 0 50 BFAA Cc1cccc(OCCn2ccnc2)c1C 433524 VWWPZURXJNBUBW-UHFFFAOYSA-N 216.284 2.579 0 50 BFAA Nc1nnc(Cc2cccc3ccccc23)s1 842928 FZBLLTOCSPCNAD-UHFFFAOYSA-N 241.319 2.864 0 50 BFAA Cc1c(Cl)cc(C(=O)O)c(F)c1F 2509668 XNUGHWYSXYFWKR-UHFFFAOYSA-N 206.575 2.625 0 50 BFAA COC(=O)CC[C@@H](N)c1cccc2ccccc12 2580910 ASROVWQFDBBOLR-CQSZACIVSA-N 243.306 2.793 0 50 BFAA CCCOC(=O)c1c(N)sc(C)c1C 5793445 NBUQZTXECPPIAG-UHFFFAOYSA-N 213.302 2.514 0 50 BFAA Cc1ccc(-n2c(C)n[nH]c2=S)cc1C 5926663 CPHBGQISCIQHMZ-UHFFFAOYSA-N 219.313 2.855 0 50 BFAA FC(F)(F)c1c(Cl)nnc2c1CCC2 8855842 WINVJBBGILNSLQ-UHFFFAOYSA-N 222.597 2.638 0 50 BFAA in-vitro Cc1cccc(NC(=S)Nc2ccn(C)n2)c1 10847143 MPPCJKGYFYKECA-UHFFFAOYSA-N 246.339 2.537 0 50 BFAA C[C@H](N)c1ccc(F)c(Br)c1 12506520 GLMDQQAMANPGCU-YFKPBYRVSA-N 218.069 2.608 0 50 BFAA CN[C@@H](C)c1ccccc1C(F)(F)F 16082638 MSIIWASETQDPAJ-ZETCQYMHSA-N 203.207 2.986 0 50 BFAA O=C(O)/C=C\c1c(F)cccc1Cl 19616482 NDWALECYVLNBQG-PLNGDYQASA-N 200.596 2.577 0 50 BFAA Brc1cccc(-c2cccnc2)n1 34087117 LKCXTRCHSSUWJH-UHFFFAOYSA-N 235.084 2.906 0 50 BFAA CCN(CC)C(=O)c1cccc(C)c1C 34612530 SMVYLWURFNYXTP-UHFFFAOYSA-N 205.301 2.785 0 50 BFAA CC[C@@]1(CC(=O)O)CC(=O)c2ccccc2C1 170091811 LLANIAVLHAHRGR-AWEZNQCLSA-N 232.279 2.687 0 50 BFAA CCN1CC[C@H](NCCc2ccccc2)[C@@H](C)C1 222107612 BNVNLKYMMXQHAV-HOCLYGCPSA-N 246.398 2.549 0 50 BFAA CO[C@@H](C)C(=O)Nc1cc2ccccc2nc1C 241132937 JNIKNTBNDMPTIM-JTQLQIEISA-N 244.294 2.517 0 50 BFAA C[C@@H](c1cccc(O)c1)[C@@H]1CCCN(C)C1 258933460 QUQYNKHJLPHOKN-WCQYABFASA-N 219.328 2.838 0 50 BFAA Cc1noc(NC(=O)C[C@@H]2CC[C@@H]3C[C@H]23)c1C 333597817 UPBJDAIANXNQGG-VWYCJHECSA-N 234.299 2.666 0 50 BFAA O=C(C(F)F)N1CC[C@H](CC2CCCC2)C1 373342799 CWTMIBNPJKNNPH-SNVBAGLBSA-N 231.286 2.680 0 50 BFAA COCC1(CN[C@H]2CCCSC2)CCCC1 449743531 YQGKMNWBLMBVIU-LBPRGKRZSA-N 243.416 2.678 0 50 BFAA C=CC(=O)NCC1(c2ccc(Cl)cc2)CC1 791349521 SSKNOFNBUNEQNX-UHFFFAOYSA-N 235.714 2.674 0 50 BFAA CC(C)c1ccc(NC(=O)N2CCOCC2)cc1 30382 VNFQCEIAWZAABJ-UHFFFAOYSA-N 248.326 2.674 0 50 BFAA Cc1cc(SCC(=O)O)nc2ccccc12 206802 LYRXFOXCAABCMR-UHFFFAOYSA-N 233.292 2.720 0 50 BFAA COc1ccccc1C(=O)Nc1cc(C)ccn1 343012 NXSZOBGQEQDTSR-UHFFFAOYSA-N 242.278 2.651 0 50 BFAA CCNC(=O)Nc1c(C)cccc1CC 397029 KEBWDCQJADRLGT-UHFFFAOYSA-N 206.289 2.699 0 50 BFAA CCC[C@H](C)NC(=O)c1ccc(N(C)C)cc1 441758 NDBWOJGRXJSTER-NSHDSACASA-N 234.343 2.671 0 50 BFAA CCC(CC)C(=O)NCCc1ccc(OC)cc1 453072 GYTJSIXIBAJDJK-UHFFFAOYSA-N 249.354 2.790 0 50 BFAA O=S(c1ccsc1)c1ccsc1 508074 QJVZDTAKRCRXHY-UHFFFAOYSA-N 214.336 2.976 0 50 BFAA COC(=O)c1cc(Br)ccc1C 1764702 FDCYLMYCHALQJR-UHFFFAOYSA-N 229.073 2.544 0 50 BFAA in-vitro COc1ccc(C=O)cc1CN1CCCCCC1 2557846 IGTVIYMOLQNWOY-UHFFFAOYSA-N 247.338 2.884 0 50 BFAA CCc1noc(C)c1C(=O)N[C@@H](C)C(C)(C)C 13744445 WVIJHKMHAAOWNR-VIFPVBQESA-N 238.331 2.710 0 50 BFAA Oc1cc(Cl)cc(Br)c1 28278245 GMGWXLPFRHYWAS-UHFFFAOYSA-N 207.454 2.808 0 50 BFAA in-vitro OC1(c2ccc(Br)cc2)CCC1 38854983 ZOAWHKTZPRKVFB-UHFFFAOYSA-N 227.101 2.821 0 50 BFAA in-vitro CC(C)CNC(=O)Cc1ccc(Cl)cc1F 72140710 DFQXPTPQOZMLDK-UHFFFAOYSA-N 243.709 2.794 0 50 BFAA COc1nccc(C(F)(F)F)c1Cl 98181591 BTQBEVHCKDNJMM-UHFFFAOYSA-N 211.570 2.762 0 50 BFAA Fc1ccc(NC[C@H]2CC=CCC2)cn1 134537793 CUQRKAZNFUXPII-JTQLQIEISA-N 206.264 2.989 0 50 BFAA Cn1cc(OCc2cccc(Cl)c2)cn1 158460882 GLEGNIRIUXRAET-UHFFFAOYSA-N 222.675 2.653 0 50 BFAA CCOC(=O)[C@]1(CC=C(C)C)CCCC1=O 196883522 BSZQQWWCHSBRCS-ZDUSSCGKSA-N 224.300 2.645 0 50 BFAA CN(C/C=C/c1ccc(F)cc1)C1CCOCC1 215643411 NQDWRUXVBWTZTO-NSCUHMNNSA-N 249.329 2.950 0 50 BFAA Clc1ccc2c(Cl)nnc(Cl)c2n1 238535831 RNGUDERGBSCKHI-UHFFFAOYSA-N 234.473 2.985 0 50 BFAA O=C1CC[C@]2(CC[C@@H]3[C@H]4CC[C@@H](C4)[C@H]32)O1 257355652 BWGQYUVNAHAZKO-TXDRYBTRSA-N 206.285 2.518 0 50 BFAA O=C(Nc1cncc(F)c1)N1CCC12CCCC2 650175417 GWXOYYYFKIOOAS-UHFFFAOYSA-N 249.289 2.771 0 50 BFAA CCCSc1ccc(NC(=O)COC)cc1 822995980 GCPZGGPYKXBDCP-UHFFFAOYSA-N 239.340 2.774 0 50 BFAA Cc1ccsc1/C=C/C1=NCCCN1C 1750 NVEPPWDVLBMNMB-SNAWJCMRSA-N 220.341 2.804 0 50 BFAA world O[C@@H](c1ccc(Br)cc1)C1CC1 129328 PLVQKMYLBFYJHT-SNVBAGLBSA-N 227.101 2.893 0 50 BFAA C[C@@H](c1ccccc1)N1CC[C@@H](O)C[C@H]1C 208108 QFOPLOIFPTWFGH-MBNYWOFBSA-N 219.328 2.593 0 50 BFAA O=C(CC1CCCCC1)Nc1ccccn1 317057 JAVYWOOOWWVYMS-UHFFFAOYSA-N 218.300 2.991 0 50 BFAA CCOC(=O)c1sc(S)c(C(C)=O)c1C 329980 ZCOCWDLJBQEHKC-UHFFFAOYSA-N 244.337 2.725 0 50 BFAA O=C1CCc2c(Cl)cc(Cl)c(O)c21 610412 OLRTVYHSWQCNCR-UHFFFAOYSA-N 217.051 2.828 0 50 BFAA COc1ccc([C@H]2CCCC[C@H]2O)cc1OC 1431469 WJLUOTSDBABMCM-VXGBXAGGSA-N 236.311 2.722 0 50 BFAA Cc1ccc(Br)c(Cl)n1 2384068 JVDQYSIJBRTRMS-UHFFFAOYSA-N 206.470 2.806 0 50 BFAA in-vitro Nc1ccccc1OCCOc1ccccc1 8723143 OWCFHGUDMYDGPA-UHFFFAOYSA-N 229.279 2.727 0 50 BFAA in-vitro Nc1cc(Cl)c(Br)cc1F 15444541 SKJMNEFZWYBTHT-UHFFFAOYSA-N 224.460 2.824 0 50 BFAA in-vitro Clc1c(Br)cnc2[nH]ccc12 19046174 FMDQNRHKEYTVBW-UHFFFAOYSA-N 231.480 2.979 0 50 BFAA in-vitro S=c1nc(-c2ccc3c(c2)OCO3)cc[nH]1 36626592 NPHCOJHYHKQFHI-UHFFFAOYSA-N 232.264 2.535 0 50 BFAA CCOC(=O)c1cc(F)ccc1Cl 44201043 GWENTXANAYAWIK-UHFFFAOYSA-N 202.612 2.656 0 50 BFAA CCc1cc(Br)cc(NC(C)=O)c1 98181588 PDRWHNPTNJWXLB-UHFFFAOYSA-N 242.116 2.970 0 50 BFAA O=C1CC(=O)CC(c2c(F)cccc2Cl)C1 100024843 RDLKECGYLPSQFO-UHFFFAOYSA-N 240.661 2.885 0 50 BFAA C[C@H]1C[C@H](c2ccccc2)CN1CCCC(=O)O 116402597 ONVKAZCNWPJCEK-JSGCOSHPSA-N 247.338 2.729 0 50 BFAA Cn1cc(-c2nc(-c3cccn3C)cs2)cn1 193756409 FQEINVMCKCHNMK-UHFFFAOYSA-N 244.323 2.549 0 50 BFAA C1CCC2(C1)C[C@H]2c1nc(C2CC2)no1 334982292 KEZUCNNAJVZVOK-VIFPVBQESA-N 204.273 2.995 0 50 BFAA C[C@H](NC(=O)[C@@H]1CC=CCC1)C(C)(F)F 335471501 RVAVYUUDPXNMFQ-DTWKUNHWSA-N 217.259 2.503 0 50 BFAA CN(CC1=CCCCC1)Cc1noc(C2CC2)n1 412082569 YHMRAEWBAJHOCJ-UHFFFAOYSA-N 247.342 2.879 0 50 BFAA Cc1cc(-c2c[nH]nc2C)cnc1Cl 725272919 VPRLEENVVZKNAB-UHFFFAOYSA-N 207.664 2.742 0 50 BFAA CCc1nc(C)n(Cc2ccccc2Cl)n1 823560484 PBQHRVAWJSYLKJ-UHFFFAOYSA-N 235.718 2.851 0 50 BFAA C=CC(=O)N1CCCSc2ccc(F)cc21 863971507 WAHBNGJBTZQTPM-UHFFFAOYSA-N 237.299 2.841 0 50 BFAA CCC[C@H](C)NC(=O)Cc1ccccc1 30352 USEXPDQDHPXYDI-NSHDSACASA-N 205.301 2.534 0 50 BFAA CCOP(=O)(OCC)[C@@H](O)c1ccccc1 2045604 SLNMJVMGIXUXFI-LLVKDONJSA-N 244.227 2.944 0 50 BFAA C=C1c2cc(OCC)ccc2NC(=O)N1CC 2291003 ASHSULPWFAZOEQ-UHFFFAOYSA-N 232.283 2.923 0 50 BFAA CCC(=O)c1cc(F)c(OC)c(F)c1 2584347 KTBXQCVNEFDUCP-UHFFFAOYSA-N 200.184 2.566 0 50 BFAA in-vitro CCCOc1c(C=O)cc(Cl)cc1OC 2782489 ZBGLATICPAWALQ-UHFFFAOYSA-N 228.675 2.950 0 50 BFAA in-vitro O=C(c1cccnc1)c1cccc(Cl)c1 3844313 MDGKXQYPOIIMHW-UHFFFAOYSA-N 217.655 2.966 0 50 BFAA biogenic,in-vitro COc1ccc(/C=C(\C)CC(=O)O)cc1 4529099 DFSMQUUSVDGKQH-VQHVLOKHSA-N 206.241 2.573 0 50 BFAA COc1ccc(C=O)cc1Cc1c(C)noc1C 4944073 KYMFDJYFADPPKK-UHFFFAOYSA-N 245.278 2.703 0 50 BFAA CN(C)CCCNc1nccc2ccccc12 5668160 KIXYEAXRPOTUKN-UHFFFAOYSA-N 229.327 2.598 0 50 BFAA C[C@@H]1CCCN(Cc2cccc(N)c2)C1 15937631 FBNVXAZXOQRQHJ-LLVKDONJSA-N 204.317 2.501 0 50 BFAA in-vitro Cc1cc(C(=O)Nc2ccncc2)cs1 16604005 YOXNNHVLIIXSME-UHFFFAOYSA-N 218.281 2.704 0 50 BFAA c1ccc(CNCNCc2ccccc2)cc1 19324852 LVCAIAKPPXXJCH-UHFFFAOYSA-N 226.323 2.524 0 50 BFAA CCN(CC)CCN(C)[C@@H]1CCC[C@H](C)C1 22578888 YDPGOMKMVCAXNB-UONOGXRCSA-N 226.408 2.839 0 50 BFAA F[C@@H](c1cccc(Cl)n1)C1CCNCC1 48564178 FVQRKBMBXWCFOH-LLVKDONJSA-N 228.698 2.745 0 50 BFAA Oc1ccc(-c2ccccc2)cc1-n1cnnc1 65395627 YJLYHMUXCUQMCY-UHFFFAOYSA-N 237.262 2.640 0 50 BFAA CCc1ccc(CN(C)Cc2coc(C)n2)nc1 67855981 UDTLTFVQMYUARE-UHFFFAOYSA-N 245.326 2.572 0 50 BFAA CC(C)(C)OC(=O)N1CCC[C@H](CF)C1 71257516 WVPOYHXYOTZWPR-SECBINFHSA-N 217.284 2.603 0 50 BFAA in-vitro O=C(O)c1c(Cl)ccc2ccncc12 138486793 YFVHCDGCWIBWDN-UHFFFAOYSA-N 207.616 2.586 0 50 BFAA CC(C)CCNC(=O)[C@@H](C)c1ccccc1 163530760 BPTSQHCOELJPJZ-LBPRGKRZSA-N 219.328 2.952 0 50 BFAA C[C@H]1CC[C@H](Cn2cnc3ccccc32)O1 188531677 HKFHXFVASNJRMQ-WDEREUQCSA-N 216.284 2.604 0 50 BFAA CSc1ccc(NC(C)(C)CCO)cc1 257373209 QRZVOHVCPBGPCX-UHFFFAOYSA-N 225.357 2.981 0 50 BFAA CCC[C@@H]1CCN(N)[C@H]1c1cccc(OC)c1 261361563 WNHHXDQUSUDQGZ-BXUZGUMPSA-N 234.343 2.732 0 50 BFAA COc1cccc(-c2csc(C=O)c2)n1 390825165 UUNAFLPZLZJHSC-UHFFFAOYSA-N 219.265 2.631 0 50 BFAA CC[C@@H]1Nc2ccccc2[C@H]2OCC[C@@H]12 393695379 GUSGKWWFAZQHTF-GMXVVIOVSA-N 203.285 2.968 0 50 BFAA biogenic c1ccc(-c2nccn2C[C@H]2CCCOC2)cc1 1875240859 IKPLFOIBLWJWKF-CYBMUJFWSA-N 242.322 2.977 0 50 BFAA O=C(NC12CCC(CC1)C2)c1cc2c([nH]1)CCC2 1875259344 VZCYKKZWPXQFNE-UHFFFAOYSA-N 244.338 2.566 0 50 BFAA C=Cc1ccc(-c2cnc(=N)[nH]c2)cc1C 1875340036 JAXXKYXNKYUMGP-UHFFFAOYSA-N 211.268 2.508 0 50 BFAA Cc1nc(-c2ccnc3[nH]ccc23)ccc1O 2356156413 AMDXGTZOIXFDAP-UHFFFAOYSA-N 225.251 2.639 0 50 BFAA Nc1c(-c2ccccc2)nc2ccccn12 32671 RJGJCHYNEWULMZ-UHFFFAOYSA-N 209.252 2.584 0 50 BFAA in-vitro O=C(Nc1cccc(O)c1)c1ccc(F)cc1 321039 XKFVVRXJSRTSKR-UHFFFAOYSA-N 231.226 2.784 0 50 BFAA Cc1ccc(CNC(=O)c2ccccc2N)cc1 3316254 OJBZYEBMQJFSKB-UHFFFAOYSA-N 240.306 2.507 0 50 BFAA COc1cc(OC)cc([C@H]2CCCCN2)c1 3734439 QAMGRJGTEMCVCW-CYBMUJFWSA-N 221.300 2.518 0 50 BFAA COc1ccc(Br)c(OC)c1C 37627897 WXHZGDILTIFQDK-UHFFFAOYSA-N 231.089 2.775 0 50 BFAA CCCSc1ccccc1C(=O)OC 97756802 LAKMDXBJLMOBTQ-UHFFFAOYSA-N 210.298 2.975 0 50 BFAA COc1ccc(OC)c2c1[C@@H]1C[C@@H]3[C@@H]2[C@H]31 104289283 VTSCFAUQUCVNCR-PBAAAUGASA-N 202.253 2.534 0 50 BFAA Cc1ccccc1CN[C@H](C)C1CCOCC1 134482149 PLLUSUZSEVETBH-CYBMUJFWSA-N 233.355 2.900 0 50 BFAA Cc1nnc(-c2cc(N)cc(C(F)(F)F)c2)o1 218165005 WWLWPZUVLINCFP-UHFFFAOYSA-N 243.188 2.646 0 50 BFAA C[C@H](CCc1ccccc1F)Nc1cnc[nH]1 225510902 JOUDZVLTWHVWPH-SNVBAGLBSA-N 233.290 2.982 0 50 BFAA CCC[C@@]1(CN)CCCN1C(=O)OC(C)(C)C 230569083 XPLZPXOEANKHEL-ZDUSSCGKSA-N 242.363 2.515 0 50 BFAA C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Nc1cn[nH]c1 246211512 XZPJHYVGRPNBKF-CKYFFXLPSA-N 248.330 2.595 0 50 BFAA CC(C)C(=O)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 250685196 DOXNXXJZUSALRE-NAWOPXAZSA-N 221.344 2.583 0 50 BFAA Cc1cncc(N2CCC(C(F)(F)F)CC2)n1 302156907 NXWVHZLMBHFXSA-UHFFFAOYSA-N 245.248 2.564 0 50 BFAA Cc1cc(NC(=O)[C@H]2CC2(C)C)cc(C(=N)O)c1 334758949 NKJJANRUVLKFDL-LLVKDONJSA-N 246.310 2.863 0 50 BFAA CC(=O)N[C@@H](C)c1cc2cccc(F)c2o1 335213404 SPQZFKZDBXMWQA-ZETCQYMHSA-N 221.231 2.769 0 50 BFAA C[C@@H](NC(=O)[C@H]1CC=CCC1)C(C)(F)F 335471498 RVAVYUUDPXNMFQ-BDAKNGLRSA-N 217.259 2.503 0 50 BFAA CCn1c(C(=O)NC2CCC2)cc2ccccc21 337329289 ZNZUGVOZYZCESD-UHFFFAOYSA-N 242.322 2.944 0 50 BFAA Cc1cc(C)nc(-c2ccccc2N(C)C)n1 426504480 MIWPOWLFQOMVKO-UHFFFAOYSA-N 227.311 2.826 0 50 BFAA FC(F)(F)c1cnc(C2OCCCO2)s1 498050261 TUHWKFLJXRLRGC-UHFFFAOYSA-N 239.218 2.597 0 50 BFAA CC[C@H](OC)C(=O)NC1(c2cccc(C)c2)CC1 822551410 IWJRMWPQWZRTRD-ZDUSSCGKSA-N 247.338 2.525 0 50 BFAA c1ccc(CCCc2nnc3n2CCCC3)cc1 887282981 LLBJSUGKJWFXAY-UHFFFAOYSA-N 241.338 2.790 0 50 BFAA O=C(O)Cc1cccc(-c2ncccc2F)c1 1242260510 UMZQXOSKAVHHQA-UHFFFAOYSA-N 231.226 2.515 0 50 BFAA CCc1cccc2c(F)c(C(=O)NC3CC3)[nH]c12 2325776237 FNWDENLLQPHZCB-UHFFFAOYSA-N 246.285 2.762 0 50 BFAA c1ccc(CCn2nnc3ccccc32)cc1 148717 GBHXISDJTKHBFA-UHFFFAOYSA-N 223.279 2.674 0 50 BFAA c1csc(-c2cc(C3CCNCC3)n[nH]2)c1 153430 ALXWIACIUWFZGM-UHFFFAOYSA-N 233.340 2.605 0 50 BFAA COC(=O)c1ccc(C)cc1Br 2513849 DJTUYAFJAGLQCK-UHFFFAOYSA-N 229.073 2.544 0 50 BFAA in-vitro O=C(O)c1ccc(OC(F)(F)C(F)F)cc1 2530899 SVGWTILJZWYEMD-UHFFFAOYSA-N 238.136 2.622 0 50 BFAA in-vitro CCCC(=O)N[C@@H](C)c1cccc(OC)c1 6699584 BYRQUCGLELHWHG-JTQLQIEISA-N 221.300 2.673 0 50 BFAA Cc1cc(Br)c(C)cc1N 7023260 CXPJJDQQLXEYPM-UHFFFAOYSA-N 200.079 2.648 0 50 BFAA in-vitro O=Cc1ccc(Br)cc1Cl 12359414 DHGPLNJITGVCSG-UHFFFAOYSA-N 219.465 2.915 0 50 BFAA in-vitro Oc1nccc2ccc(Br)cc12 12360025 DSOKREQUHLPVFR-UHFFFAOYSA-N 224.057 2.703 0 50 BFAA in-vitro Cc1cc(OC(F)(F)F)ccc1C=O 16125766 JTPTUKVDAYQHMZ-UHFFFAOYSA-N 204.147 2.706 0 50 BFAA in-vitro Cc1cc(C(=O)N2CCC(C)CC2)cs1 16603888 IATSAKVSQUOWTA-UHFFFAOYSA-N 223.341 2.929 0 50 BFAA Cc1cccc(-c2nc(C=O)cs2)c1 19723116 FRSDKJVLVWGYEI-UHFFFAOYSA-N 203.266 2.931 0 50 BFAA in-vitro C[C@@H](CCCC(C)(C)O)NC1CCCC1 32553335 YVAKOMGGNFCNLU-NSHDSACASA-N 213.365 2.848 0 50 BFAA CCN(Cc1ncc[nH]1)Cc1ccccc1F 65397238 BTXCNDLPGFNPEA-UHFFFAOYSA-N 233.290 2.571 0 50 BFAA CC(C)c1cc(NCC[C@H]2CCCCO2)ncn1 95375470 ZUVQTRBPWRPVNV-GFCCVEGCSA-N 249.358 2.971 0 50 BFAA Cc1cc(Br)cc(C(=O)O)c1C 115162661 ZCZLDHYJFFDDOE-UHFFFAOYSA-N 229.073 2.764 0 50 BFAA in-vitro CC(=O)c1cccc(C(F)(F)F)c1O 169146497 AFTZVZKIPQCZPT-UHFFFAOYSA-N 204.147 2.614 0 50 BFAA in-vitro COc1cccc2c1[C@@H]1[C@@H]3[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5[C@H]24 248250608 PHICXBGTDAEVRO-AFJJVBLESA-N 210.276 2.628 0 50 BFAA Clc1nccn2c(Br)ccc12 258122866 UZOKEVNNFGFPRN-UHFFFAOYSA-N 231.480 2.750 0 50 BFAA O=C(O)[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1c1ccccc1 383737184 NNUSVTIAASPYFL-MROQNXINSA-N 216.280 2.901 0 50 BFAA CCC1CCC2(CC1)O[C@@]2(CC)C(=O)OC 669383589 SWTNQJUQLNBYTR-GDKBPFBDSA-N 226.316 2.677 0 50 BFAA C[C@H](CC1CCCCC1)NC[C@@H](O)C1CC1 689831127 BNSVCJBBSDUQEU-BXUZGUMPSA-N 225.376 2.706 0 50 BFAA c1coc(Cn2ccnc2-c2cncs2)c1 1875245492 BWDUNWQNNBMFDY-UHFFFAOYSA-N 231.280 2.648 0 50 BFAA c1c[nH]c(-c2nccn2[C@@H]2C[C@@H]3CC[C@H]2C3)n1 1875246536 QPSJZOOTMBMCBC-OUAUKWLOSA-N 228.299 2.634 0 50 BFAA Cc1noc(C)c1COc1ccc(C(=O)O)cc1 91803 FZZOXUGENAQGIJ-UHFFFAOYSA-N 247.250 2.569 0 50 BFAA COc1ccc(CNc2ccccc2N)cc1 124768 WLHZVTMHNONISE-UHFFFAOYSA-N 228.295 2.890 0 50 BFAA in-vitro CCCc1noc(-c2ccc(OC)c(OC)c2)n1 247678 MLKCZCWHZQALPV-UHFFFAOYSA-N 248.282 2.706 0 50 BFAA COC(=O)c1coc(-c2ccc(Cl)cc2)n1 374297 VDIXVMIKLAYGRR-UHFFFAOYSA-N 237.642 2.782 0 50 BFAA O=C1SC(=O)c2cc3ccccc3cc21 401301 AFRAAXZVWMNXGP-UHFFFAOYSA-N 214.245 2.867 0 50 BFAA CCCCC(=O)NCc1ccc(F)cc1 2082456 QMCOCDXDFLCWDP-UHFFFAOYSA-N 209.264 2.632 0 50 BFAA FC(F)(F)c1nnc2n1CCc1ccccc1-2 2172605 CKURCLLORFIUIH-UHFFFAOYSA-N 239.200 2.520 0 50 BFAA COc1ccc(CO)cc1OC1CCCC1 2518255 JIRHAGAOHOYLNO-UHFFFAOYSA-N 222.284 2.509 0 50 BFAA in-vitro Nc1ccn(Cc2ccc(Cl)c(Cl)c2)n1 2558391 HDCJOTJJYUOQLE-UHFFFAOYSA-N 242.109 2.820 0 50 BFAA CCCOc1ccc(Cl)cc1C(=O)O 2584127 GOGHQODAPOZTFG-UHFFFAOYSA-N 214.648 2.827 0 50 BFAA in-vitro O=C(O)[C@@H](C[C@H]1CCCS1)C(F)(F)F 4291201 WZMDICHYPNRSDP-PHDIDXHHSA-N 228.235 2.535 0 50 BFAA Fc1ccc(-c2cc[nH]c(=S)n2)cc1 5763652 IKNROSDVLWITKJ-UHFFFAOYSA-N 206.245 2.945 0 50 BFAA in-vitro Cc1ccccc1CC(=O)NCc1cccs1 6699392 KPUQZPWYOAAEKD-UHFFFAOYSA-N 245.347 2.915 0 50 BFAA C[C@@H](NC(=O)CCC1CCCC1)[C@@H]1CCCO1 6700188 SJULNWDEBXCCME-YPMHNXCESA-N 239.359 2.641 0 50 BFAA O=C(Nc1ccc(F)cc1)NC1CCCC1 6700372 CUXAXQQCQOIMQA-UHFFFAOYSA-N 222.263 2.890 0 50 BFAA O=C(Nc1ccc2nsnc2c1)c1ccco1 15841205 VTPHNFPKHCCTOQ-UHFFFAOYSA-N 245.263 2.537 0 50 BFAA O=Cc1cccc(-c2ccc(CO)cc2)c1 16948360 KLFYNAFVLCJXBL-UHFFFAOYSA-N 212.248 2.658 0 50 BFAA CCOC(=O)c1cc(Br)ccc1F 35189192 WYTDYNDPAJSCTK-UHFFFAOYSA-N 247.063 2.765 0 50 BFAA in-vitro OCCCCCCCCCCn1ccnc1 44069494 XFIJCEYDSGZRHB-UHFFFAOYSA-N 224.348 2.996 0 50 BFAA in-vitro Oc1ccc(-c2ccc(O)c(F)c2)cc1 65339956 QVQNAAFDYYJACI-UHFFFAOYSA-N 204.200 2.904 0 50 BFAA in-vitro C[C@@H](CN(C)Cc1cc2ccccc2o1)C(=O)O 86807234 CSVINGSZTJWCBN-JTQLQIEISA-N 247.294 2.585 0 50 BFAA C[C@@H](NC(=O)c1ccco1)[C@H]1C[C@H]2CC[C@H]1C2 101752521 TWAOWPQGQVRSDB-NOOOWODRSA-N 233.311 2.834 0 50 BFAA Cc1c(F)ncc(F)c1OC(C)(C)C 136292200 HJSRNFGVNHDQLN-UHFFFAOYSA-N 201.216 2.846 0 50 BFAA O=Cc1ccc(Cl)cc1OCC(F)F 163062734 JSKIDUZMUWOKRS-UHFFFAOYSA-N 220.602 2.796 0 50 BFAA Cc1cc(NC(=O)C(C)C)c(C)cc1O 225530488 BYWAOQWSYQKMER-UHFFFAOYSA-N 207.273 2.604 0 50 BFAA CCOc1ncccc1-c1cnn(CC)c1C 823405581 HHDWWKQCAJOOOE-UHFFFAOYSA-N 231.299 2.672 0 50 BFAA CCC[C@H](C(=O)Nc1cccnc1)n1cccc1 952962975 MWEGPVOWNRTWHC-CYBMUJFWSA-N 243.310 2.863 0 50 BFAA CCC(CC)n1nccc1NC(=O)c1ccc[nH]1 1506397937 ZITJWQQHNCTCHT-UHFFFAOYSA-N 246.314 2.825 0 50 BFAA CC1(Cn2ccnc2[C@H]2CC=CCC2)COC1 1875245926 FPDZJNLFZVSUCP-LBPRGKRZSA-N 232.327 2.743 0 50 BFAA O=Cc1cccc(OC(=O)NC2CCCCC2)c1 2299912172 HERWPAFNEJZWKY-UHFFFAOYSA-N 247.294 2.920 0 50 BFAA Cc1ccc(C2=CSC3=NCCN23)cc1 51557 ZSLGTNCOVGLOAD-UHFFFAOYSA-N 216.309 2.712 0 50 BFAA NCC[C@H](Cc1ccccc1)c1ccco1 105975 VXTXUDSXGALJHG-CYBMUJFWSA-N 215.296 2.955 0 50 BFAA CCC[C@H](C)NC(=O)NC1CCCCC1 388933 FJQRSEXWVWHZQL-JTQLQIEISA-N 212.337 2.807 0 50 BFAA Cc1ccc(OCC(=O)N2CCCCC2)c(C)c1 444966 ORPYUTIJHKHREP-UHFFFAOYSA-N 247.338 2.695 0 50 BFAA NC(=O)Nc1ccc(Oc2ccccc2)cc1 1853758 ABBMQADJUMXTAJ-UHFFFAOYSA-N 228.251 2.970 0 50 BFAA c1ccc(CC2=NCCn3cccc32)cc1 2465850 IMFWGCGNLQTLEP-UHFFFAOYSA-N 210.280 2.534 0 50 BFAA CC(=O)c1ccc(Br)c(F)c1 3165534 VCTWSAITPPCBHI-UHFFFAOYSA-N 217.037 2.791 0 50 BFAA in-vitro COC(=O)c1cc2c(F)cccc2s1 3883939 SPZLAMSTAIFDBN-UHFFFAOYSA-N 210.229 2.827 0 50 BFAA in-vitro CC(C)C(=O)N[C@@H](C)CCc1ccccc1 5906028 JBKUUYXQAJXVSA-LBPRGKRZSA-N 219.328 2.780 0 50 BFAA Cc1cc(C(=O)NCc2ccccc2)cs1 13327452 CHCSNWYPSFCTLL-UHFFFAOYSA-N 231.320 2.987 0 50 BFAA CCCC[C@@H](CC)COCCN1CCOCC1 19911996 YAQPSASHYXBWDP-CQSZACIVSA-N 243.391 2.552 0 50 BFAA NCC1(c2ccc(OC(F)(F)F)cc2)CC1 41701514 BPBLZCUOUGGCGV-UHFFFAOYSA-N 231.217 2.576 0 50 BFAA in-vitro C[C@]1(O)C=C[C@@H](Cc2ccccc2)CC1 45071674 OTDQKHHEHQWPIL-KGLIPLIRSA-N 202.297 2.946 0 50 BFAA Nc1ccc(-c2cc(F)ccc2F)cn1 52886399 FTTZOAFANBWLJT-UHFFFAOYSA-N 206.195 2.609 0 50 BFAA Cc1sc(C(N)=O)cc1-c1ccc(F)cc1 86987753 WSOQQRWSVGALGS-UHFFFAOYSA-N 235.283 2.962 0 50 BFAA CC(C)(C)OC(=O)Nc1cn(C2CC2)cn1 95829799 FISWOBWGDDHBLL-UHFFFAOYSA-N 223.276 2.565 0 50 BFAA FCCCN1CCC[C@H](Nc2ccccc2)C1 154964347 YYHFSLFXUBXQSA-AWEZNQCLSA-N 236.334 2.923 0 50 BFAA CC(C)c1nccc(N2C[C@H]3[C@@H](C2)C3(C)C)n1 172773505 DBKKSWYJAFXUPG-PHIMTYICSA-N 231.343 2.692 0 50 BFAA O=C(Nc1cn[nH]c1)Nc1ccc2cc[nH]c2c1 194232446 OQYCSQQKCBLCDV-UHFFFAOYSA-N 241.254 2.535 0 50 BFAA COc1ccc2c(c1)[C@H]1[C@@H]3[C@H]2[C@H]2C=C[C@H]2[C@H]31 247952954 MSMIFVCPETXJCQ-VWYTYQQPSA-N 210.276 2.938 0 50 BFAA C[C@@H]1CC(C)(C)N2C(=O)C(=O)c3cc(F)cc1c32 253495907 VHPJWBSXCPEYMH-SSDOTTSWSA-N 247.269 2.641 0 50 BFAA FC(F)c1cnc(NC2C[C@H]3C[C@@H]3C2)nc1 335179581 WEINVEJCCRFZJW-RNFRBKRXSA-N 225.242 2.625 0 50 BFAA CCn1ncc(-c2ccc3c(c2)OCCO3)c1C 2100557477 UYMXLSIDZJONGP-UHFFFAOYSA-N 244.294 2.650 0 50 BFAA CC1(C(=O)Nc2nc3ccc(O)cc3s2)CC1 2325802268 VOGJNENKMBCSLL-UHFFFAOYSA-N 248.307 2.741 0 50 BFAA O=C(O)c1ccccc1C(=O)c1ccc(F)cc1 56439 FJAZVXUPZQSZKI-UHFFFAOYSA-N 244.221 2.755 0 50 BFAA in-vitro COc1ccccc1[C@H](CC(=O)O)c1ccco1 182802 ICKURTHQHUGHMK-NSHDSACASA-N 246.262 2.895 0 50 BFAA Cc1cc(-c2ccccc2)nc(N(C)C)n1 402167 YKAAVTHIOAJKBF-UHFFFAOYSA-N 213.284 2.518 0 50 BFAA CCOC(=O)c1c(C)[nH]c2ccccc12 403323 ICXKIKDXKRONLF-UHFFFAOYSA-N 203.241 2.653 0 50 BFAA in-vitro Cc1ccc(C)c(C(=O)NCc2ccncc2)c1 514813 MGEWGUNUGBAWRU-UHFFFAOYSA-N 240.306 2.628 0 50 BFAA Cc1cc(C)n(CCc2ccccc2)n1 752025 ZYKFIMCOEFWOPW-UHFFFAOYSA-N 200.285 2.743 0 50 BFAA C(=C/CN1CCCCC1)\CN1CCCCC1 1842984 GGMZNKPVYRGGPT-BQYQJAHWSA-N 222.376 2.514 0 50 BFAA CC(=O)N1[C@H](c2ccc[nH]2)CC[C@H]1c1ccc[nH]1 2519578 FGFKZEQIPHTPSE-KBPBESRZSA-N 243.310 2.768 0 50 BFAA CC(=O)c1c(C)oc2c1C(=O)CC(C)(C)C2 2539543 JEVJGZVLCMZFBG-UHFFFAOYSA-N 220.268 2.946 0 50 BFAA Nc1cc(C(F)(F)F)c(F)c(F)c1F 34610475 JLKGQEBYBZBAKE-UHFFFAOYSA-N 215.096 2.705 0 50 BFAA Cc1cc(Br)cc(O)c1F 90413833 XRNNSKQHDNJRDJ-UHFFFAOYSA-N 205.026 2.602 0 50 BFAA in-vitro CN(CC1CCCC1)C(=O)[C@H]1CC=CCC1 126735485 JMLXBFUNLVYNKL-ZDUSSCGKSA-N 221.344 2.991 0 50 BFAA Fc1ccc(OC(F)F)c(Br)n1 263625131 XBBQPHPNUDNQMJ-UHFFFAOYSA-N 241.994 2.585 0 50 BFAA Cc1cnc(N2[C@H]3CCC[C@H]2CC3)nc1C 334237136 LUJOXYGIJOYZBD-RYUDHWBXSA-N 217.316 2.615 0 50 BFAA C[C@]1(CNc2nccc3cccnc23)CCCO1 716831832 ALOSQCBBOTZGBV-CQSZACIVSA-N 243.310 2.611 0 50 BFAA C=CC(=O)N[C@H]1C[C@H](C)c2ccccc21 888102392 UNNDJBFQJLJXBU-CABZTGNLSA-N 201.269 2.537 0 50 BFAA COc1cc(C)c(-c2ccc(CCN)cc2)cn1 1241769662 WFHZARQLUHNTMS-UHFFFAOYSA-N 242.322 2.567 0 50 BFAA Cc1nc(CNc2ccsn2)cs1 1616040879 GRDARSURHSTUKW-UHFFFAOYSA-N 211.315 2.520 0 50 BFAA CCCC(=O)c1c(C)[nH]c(C(=O)OCC)c1C 295582 AVLJVEYSDBTVQD-UHFFFAOYSA-N 237.299 2.791 0 50 BFAA S=C(NCCc1ccccc1)NC1CCCC1 306776 BEEHGPDFEPEFQC-UHFFFAOYSA-N 248.395 2.636 0 50 BFAA CCOc1ccccc1NC(=O)C(C)C 345133 AUYQKNAVPJPXNB-UHFFFAOYSA-N 207.273 2.680 0 50 BFAA O=C(Nc1ccccc1O)c1ccccc1F 363800 HBBHURJKQORUGP-UHFFFAOYSA-N 231.226 2.784 0 50 BFAA C[C@@H]1CCCN(C(=O)/C=C/c2ccccc2)C1 449995 NTENAXUBMPWURD-WTNCMQEWSA-N 229.323 2.958 0 50 BFAA COc1cccc(Nc2ncccc2C(=O)O)c1 930770 MLISMYSIFNNHFK-UHFFFAOYSA-N 244.250 2.532 0 50 BFAA CCOC(=O)CN(CC)[C@H](C)c1ccccc1 2472425 KOZZIUOGTQUPMY-GFCCVEGCSA-N 235.327 2.633 0 50 BFAA CCCCOc1cc(C=O)ccc1OC 3887679 CSSRHTDXZIBTMI-UHFFFAOYSA-N 208.257 2.687 0 50 BFAA in-vitro COc1ccc(OCCN2CCCCC2)cc1 5527039 DCEKWYANAGKPNG-UHFFFAOYSA-N 235.327 2.560 0 50 BFAA CCn1cc(C[C@H](C)N)c2ccccc21 6678086 PAADIGQGIZWIJL-JTQLQIEISA-N 202.301 2.551 0 50 BFAA CCCc1cnc(-c2ccc(CO)cc2)nc1 32573438 WIETZYYQTUNXAW-UHFFFAOYSA-N 228.295 2.588 0 50 BFAA Brc1ccc(SC[C@@H]2CO2)cc1 37381622 YKAVUOZXTJFTQQ-QMMMGPOBSA-N 245.141 2.940 0 50 BFAA Cc1ccoc1-c1nc(Cc2ccccc2)n[nH]1 65404874 NQQGNKVGPNOXNL-UHFFFAOYSA-N 239.278 2.964 0 50 BFAA CC(=O)OCCc1ccc(Br)cc1 140642745 CYDBKABNCDXYTM-UHFFFAOYSA-N 243.100 2.555 0 50 BFAA in-vitro O=C(c1ccc(O)c(F)c1)N1CCCCC12CC2 218938757 CSLWYHGPMJRIDD-UHFFFAOYSA-N 249.285 2.690 0 50 BFAA C[C@@H]1CCC[C@H](CCN2CCC[C@H]2C(=O)O)C1 237607473 OMAFQQGOPKTRBJ-UPJWGTAASA-N 239.359 2.752 0 50 BFAA CC(=O)N[C@H]1CCCc2c1[nH]c1ccccc21 253414145 WPHXFPHKDGWQNN-ZDUSSCGKSA-N 228.295 2.681 0 50 BFAA biogenic Oc1ncc(C(F)(F)F)cc1C(F)(F)F 396075751 IWSJDZMIJFAEBO-UHFFFAOYSA-N 231.095 2.825 0 50 BFAA Oc1n[nH]c(-c2ccccc2-c2ccccc2)n1 426492820 NUYDLLDBTLSTFI-UHFFFAOYSA-N 237.262 2.844 0 50 BFAA CC(C)(O)Cc1ccc(Br)c(F)c1 584594907 HQWRVCMLINQPLE-UHFFFAOYSA-N 247.107 2.902 0 50 BFAA O=C(O)c1c(-c2ccccc2)noc1C(F)F 675057451 GPVNQAONOJRKNI-UHFFFAOYSA-N 239.177 2.977 0 50 BFAA O=C(Nc1ccc(Cl)nc1)[C@H]1CC12CCC2 759695612 AENSNXKJHGADHY-SECBINFHSA-N 236.702 2.864 0 50 BFAA C[N@]1[C@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 1857524916 NNCVFQYJJLNXGD-VYDXJSESSA-N 237.302 2.925 0 50 BFAA O=C(O)C1c2ccccc2-c2ccccc21 154881 DNVJGJUGFFYUPT-UHFFFAOYSA-N 210.232 2.884 0 50 BFAA CN(C[C@@H](O)c1ccccc1)c1ccccc1 399634 UTFKRKIKZZXSDC-OAHLLOKOSA-N 227.307 2.856 0 50 BFAA CCC[C@H](C)C(=O)n1nnc2ccccc21 444034 YLCKSTYHCNWOFR-VIFPVBQESA-N 217.272 2.508 0 50 BFAA COC(C[C@H](C)CCCC(C)(C)O)OC 2040973 QCJVKUULZGKQDG-SNVBAGLBSA-N 218.337 2.573 0 50 BFAA endogenous,in-man CCCCCc1nc(-c2ccccn2)no1 2937110 PHTXHPMFXNJLKJ-UHFFFAOYSA-N 217.272 2.864 0 50 BFAA O=C1CS[C@@H](c2ccc(Cl)cc2Cl)N1 5047005 ZSUYQQXHXRVFQC-VIFPVBQESA-N 248.134 2.855 0 50 BFAA CCc1noc(C)c1C(=O)Nc1ccccc1F 13325590 QOFFCICZTCMVIR-UHFFFAOYSA-N 248.257 2.937 0 50 BFAA NC[C@@H]1Nc2ccccc2Cc2ccccc21 16696831 FPKDBVUHIXYLNP-HNNXBMFYSA-N 224.307 2.703 0 50 BFAA in-vitro CCOC(=O)c1ccc(Cl)c(F)c1 21304796 DCYPLEKPDBBLSM-UHFFFAOYSA-N 202.612 2.656 0 50 BFAA CC(C)C(=O)Nc1cccc(-c2cc[nH]n2)c1 38716892 UYZUORAWLLFPET-UHFFFAOYSA-N 229.283 2.671 0 50 BFAA COC(=O)c1ccc(Cl)c(Br)c1 65336908 CLRJXWANIVYEHH-UHFFFAOYSA-N 249.491 2.889 0 50 BFAA in-vitro CC(=O)c1cccc(C(=O)OC(C)(C)C)c1 66325812 YESSMNWGVXXGJB-UHFFFAOYSA-N 220.268 2.845 0 50 BFAA Cc1oc2ccccc2c1CN1CCCNCC1 123570549 OMKAGPQAVFKJNU-UHFFFAOYSA-N 244.338 2.537 0 50 BFAA C[C@@H]1C[C@H]1NC(=O)NCC[C@@H]1C[C@H]2CC[C@H]1C2 225408559 NBVOMBFLALFPOL-KSSYENDESA-N 236.359 2.520 0 50 BFAA C[C@H]1[C@H](C)CCC[C@H]1NC(=O)c1ccco1 245228347 RZGCUTGKLOKALL-OUAUKWLOSA-N 221.300 2.834 0 50 BFAA O=C(O)c1nc2c(F)cccc2n1CC1CCC1 255187761 GOTFWGBNJSUMJE-UHFFFAOYSA-N 248.257 2.674 0 50 BFAA CCOC(=O)c1nc(-c2ccccc2)co1 261297337 OWYOKMASZJAXFG-UHFFFAOYSA-N 217.224 2.518 0 50 BFAA CSc1ncc(C(F)(F)F)cc1O 261494087 POCINYCQRDZRQQ-UHFFFAOYSA-N 209.192 2.528 0 50 BFAA Cc1nc([C@H]2CCCN2c2cnccn2)cs1 275066577 XXGBWEHSRWVVGS-LLVKDONJSA-N 246.339 2.583 0 50 BFAA Cc1cc2c[nH]nc2cc1[C@H]1CCCCN1 757216099 XPQCXDXSNZVDAA-GFCCVEGCSA-N 215.300 2.686 0 50 BFAA C[C@@]12C[C@H]1CN(c1noc(-c3ccccc3)n1)C2 1800414160 LUNKRKODDCRJAV-FZMZJTMJSA-N 241.294 2.583 0 50 BFAA CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)C12CC1C2 1875361898 HAQRWGZHFJCORO-KAIZJQOQSA-N 247.260 2.586 0 50 BFAA C[C@@H](NC(=O)C1CC1)c1cccc2cccnc12 2325766863 WCKMAFSBEUESGO-SNVBAGLBSA-N 240.306 2.822 0 50 BFAA O=C(O)c1ccc(N2Cc3ccccc3C2)cc1 33845 YLWWJMYNWJSUNG-UHFFFAOYSA-N 239.274 2.905 0 50 BFAA O=C(O)c1ccc2[nH]c3c(c2c1)CCCC3 141891 OWQQDAGRTDUORV-UHFFFAOYSA-N 215.252 2.745 0 50 BFAA biogenic,in-vitro Cc1cc(I)c(C)cc1O 162657 RFAXNKKOQUYDKE-UHFFFAOYSA-N 248.063 2.614 0 50 BFAA in-vitro Cc1ccccc1NC(=O)c1cccnc1 344414 VORCCRLLTRBNGY-UHFFFAOYSA-N 212.252 2.642 0 50 BFAA C[C@H]1CN(C2C3CC4CC(C3)CC2C4)C[C@H](C)O1 761387 CARTZNRWSOUZSV-LRGVGNOESA-N 249.398 2.920 0 50 BFAA CCN(CC)CCCOc1ccc(OC)cc1 2494165 XGMGMACKPMSEOD-UHFFFAOYSA-N 237.343 2.806 0 50 BFAA O[C@H](c1cccs1)C(F)(F)C(F)(F)F 2528685 NNDMXHLSCSOUPG-RXMQYKEDSA-N 232.173 2.979 0 50 BFAA O[C@H](c1ccccc1)C(F)(F)C(F)(F)F 4269894 JBTHMWQTLWZQKH-SSDOTTSWSA-N 226.144 2.918 0 50 BFAA O=C(NCc1ccccn1)Nc1ccccc1F 5740958 WHGSBMUYSSVXCZ-UHFFFAOYSA-N 245.257 2.542 0 50 BFAA CCCCNC(=O)N1[C@H](C)CCC[C@H]1C 5951500 MHRXYYPTQNFXTH-GHMZBOCLSA-N 212.337 2.759 0 50 BFAA COc1cccc(NC(=O)Nc2ccccn2)c1 6715645 DARWQRFLVPCMGX-UHFFFAOYSA-N 243.266 2.734 0 50 BFAA CC(C)c1nn(C)c2nc(C(C)(C)C)[nH]c12 20999886 APPYTOQDLNZHLF-UHFFFAOYSA-N 220.320 2.717 0 50 BFAA Nc1ccc2cccc(C(F)(F)F)c2n1 26474695 WGUGHMBECREKMG-UHFFFAOYSA-N 212.174 2.836 0 50 BFAA COc1ncccc1-c1ccc([C@H](C)O)cc1 67948087 GTERHFACGMODON-JTQLQIEISA-N 229.279 2.811 0 50 BFAA O=C1CCC=C2C[C@H]3CC[C@]1(Br)[C@@H]23 71786626 GMQSKQRHABJCIL-DVVUODLYSA-N 241.128 2.839 0 50 BFAA CCc1nc(C)c(CNc2nccc(C)n2)s1 95365523 OSKXXGHPGCCBED-UHFFFAOYSA-N 248.355 2.724 0 50 BFAA O=S(=O)(O)c1ccc(Cc2ccccc2)cc1 95630561 SAAQPHIYUULWRE-UHFFFAOYSA-N 248.303 2.524 0 50 BFAA O=C(O)C12CCC(C(F)F)(CC1)CC2 147756207 FMMMXXNIGNTBEF-UHFFFAOYSA-N 204.216 2.677 0 50 BFAA C[C@H](NCCc1ccccc1F)[C@H]1CCCO1 154403813 WJRQQJXGUSQPKT-SMDDNHRTSA-N 237.318 2.525 0 50 BFAA Cc1ccc(CNc2nnc(C(C)(C)C)o2)nc1 170594974 FYQVIARFBSWFNN-UHFFFAOYSA-N 246.314 2.683 0 50 BFAA CCC(CC)(CN[C@@H]1CC[C@H](C)C1)C(=O)O 263061117 MVDCRSGIRHZYEJ-WDEREUQCSA-N 227.348 2.656 0 50 BFAA Cc1nc(N2C[C@H]3CC[C@H]2C3)sc1C 336391173 SVGIGKSEMROWNF-UWVGGRQHSA-N 208.330 2.749 0 50 BFAA CC(C)n1cc(-c2ccccc2)[nH]c1=N 382178875 NPYXRHCZBQHHNU-UHFFFAOYSA-N 201.273 2.544 0 50 BFAA C[C@H]1CCC(=O)C[C@H]1OCc1ccco1 725359202 CFXRZHPGMXGUEQ-JOYOIKCWSA-N 208.257 2.554 0 50 BFAA C=CC(=O)NCc1ccc(C(C)(C)C)s1 1338394447 KZTNKLVMYNUUHY-UHFFFAOYSA-N 223.341 2.848 0 50 BFAA COCC(C)(C)CNc1c[nH]c2nccc-2c1 1663273673 FYSFFOHTWRJNHO-UHFFFAOYSA-N 233.315 2.599 0 50 BFAA CNc1ccc(OC(F)(F)C(F)(F)F)cn1 1772717487 GWNGRHKZTIVWNA-UHFFFAOYSA-N 242.147 2.657 0 50 BFAA C[C@]1(c2ccccc2)CCCN1C(=O)N1CCC1 1875297825 FCKBFMOIRCLSIQ-OAHLLOKOSA-N 244.338 2.823 0 50 BFAA CC[C@@H](C)NC(=O)COc1cccc(C)c1C 138263 ATDUXDPQGKIMNI-LLVKDONJSA-N 235.327 2.597 0 50 BFAA COc1ccc2[nH]c(C)c(C(C)=O)c2c1 236142 PLKHPGZPVMZOQI-UHFFFAOYSA-N 203.241 2.688 0 50 BFAA Cc1cc(C(=O)O)c(O)c(C(C)(C)C)c1 394666 WPFOUMKVNYDAOU-UHFFFAOYSA-N 208.257 2.696 0 50 BFAA CCCc1cc(=O)oc2cc(OC)cc(OC)c12 435122 NEHXNKGHPJIQBT-UHFFFAOYSA-N 248.278 2.763 0 50 BFAA biogenic Oc1ccc([C@H](O)C(Cl)(Cl)Cl)cc1 477335 BEGKQLRDEXUNOY-ZETCQYMHSA-N 241.501 2.796 0 50 BFAA Cc1ccc(F)cc1C(=O)C(F)(F)F 2574724 LFYBITAYSRVBLI-UHFFFAOYSA-N 206.138 2.879 0 50 BFAA O=C(NCCCc1ccccc1)c1ccco1 2773758 IISDEHQJVSTNMU-UHFFFAOYSA-N 229.279 2.642 0 50 BFAA CCCCN(C(C)=O)c1ccc(C(=O)O)cc1 2901381 VYTVLXCPQSNJTR-UHFFFAOYSA-N 235.283 2.538 0 50 BFAA Cc1cccc(NC(=O)CN2CCCC[C@H]2C)c1 3538772 PNRBPDBVGSBSBF-CYBMUJFWSA-N 246.354 2.808 0 50 BFAA COc1ccc(NC(=O)c2ccoc2)cc1OC 12274754 MDUJIIZFNIWTRR-UHFFFAOYSA-N 247.250 2.549 0 50 BFAA Cc1c(-c2ccc(Cl)cc2)n[nH]c1N 13483594 CFRKMAJPPYXCPT-UHFFFAOYSA-N 207.664 2.621 0 50 BFAA COC(=O)c1cccc(-c2ccc(O)cc2)c1 16945820 ZWSVMMHYHQNTKA-UHFFFAOYSA-N 228.247 2.846 0 50 BFAA Cc1cc2ncoc2cc1Br 62525705 UIHWTTPDAGIGAU-UHFFFAOYSA-N 212.046 2.899 0 50 BFAA Clc1ccn2cc(Br)nc2c1 72482158 DKPBAWAFMKICQR-UHFFFAOYSA-N 231.480 2.750 0 50 BFAA in-vitro COC(=O)c1ccc(OCC(C)C)cc1F 74937859 HODLKMZTROFZEW-UHFFFAOYSA-N 226.247 2.647 0 50 BFAA in-vitro CCCc1cc(O)n(-c2ccccc2C)n1 100070253 CGYWKOGIWZPMPL-UHFFFAOYSA-N 216.284 2.839 0 50 BFAA Clc1cccc2c1CC[C@@H]2N1CCOCC1 130518886 ZAWKXFOZAFLNTG-ZDUSSCGKSA-N 237.730 2.660 0 50 BFAA c1ccc(C2=N[C@@H]3c4ccccc4C[C@@H]3O2)nc1 146392915 JPCAXHBKQLBOJG-UONOGXRCSA-N 236.274 2.524 0 50 BFAA Cc1ccnc(NC[C@H]2CCO[C@@H]2C(C)(C)C)n1 189139173 AARRLOSQJDGTRZ-NEPJUHHUSA-N 249.358 2.648 0 50 BFAA FC(F)Oc1ncccc1C(F)(F)F 238532777 IKJPWHCPDUQNQI-UHFFFAOYSA-N 213.105 2.702 0 50 BFAA C=CC(=O)Nc1cc2[nH]ccc2cc1C 1875375338 ZWEYKXMDNYASIO-UHFFFAOYSA-N 200.241 2.601 0 50 BFAA CCn1c(=O)[nH]c2cc(Cl)c(Cl)cc21 8902 LKHRMULASXZCLG-UHFFFAOYSA-N 231.082 2.656 0 50 BFAA biogenic,in-vitro CCOC(=O)c1c(C)[nH]c2ccc(OC)cc12 34436 IRBNTIJXCHIBNA-UHFFFAOYSA-N 233.267 2.662 0 50 BFAA CCOC(=O)c1ccc(N(CC)CC)cc1 58256 XPKFLEVLLPKCIW-UHFFFAOYSA-N 221.300 2.710 0 50 BFAA in-vitro CC(C)(CO)NCc1ccc(-c2ccccc2)o1 529108 VUDRWJRQUNEPDX-UHFFFAOYSA-N 245.322 2.807 0 50 BFAA CCC(=O)Nc1ccc(C)c(NC(=O)CC)c1 1722865 DIDYEHWDLGMFQN-UHFFFAOYSA-N 234.299 2.692 0 50 BFAA CC1(C)C[C@](CCN)(c2ccccc2)CCO1 2193549 YZLPLFKCBAIVRZ-OAHLLOKOSA-N 233.355 2.862 0 50 BFAA in-vitro Cn1cnc2cc(NCc3ccco3)ccc21 2334269 MQBKAMUALAONHP-UHFFFAOYSA-N 227.267 2.778 0 50 BFAA CCCc1ccc(OCC(=O)OCC)cc1 2549398 DBNPOGCMHQNKGW-UHFFFAOYSA-N 222.284 2.581 0 50 BFAA O=C(Cc1ccccc1)n1cnc2ccccc21 2742272 YYJRNMWVOZHBHI-UHFFFAOYSA-N 236.274 2.919 0 50 BFAA Cc1cccc(C)c1OCc1nnc(S)o1 5981853 NTNOGOXAYIUDSY-UHFFFAOYSA-N 236.296 2.554 0 50 BFAA Cc1ccc(NC(=O)c2cc(C)no2)cc1 6738053 OOKBVWYULPYEAN-UHFFFAOYSA-N 216.240 2.544 0 50 BFAA CCCCOc1cccc(NC(C)=O)c1 9777927 RESWNIAVSXLLNZ-UHFFFAOYSA-N 207.273 2.824 0 50 BFAA O=C(Nc1ccon1)c1ccc(Cl)cc1 13745734 RELKZHGPSJLYEC-UHFFFAOYSA-N 222.631 2.580 0 50 BFAA CCCOc1cccc(C(=O)Nc2ccon2)c1 13746926 LLYITYNYNOSZLZ-UHFFFAOYSA-N 246.266 2.716 0 50 BFAA c1ccc(-c2n[nH]cc2CNc2ccon2)cc1 19774268 JHCMFRXCYXSLGK-UHFFFAOYSA-N 240.266 2.677 0 50 BFAA O=Cc1cccc(-c2ccc(F)cc2)n1 20443243 WVQIFQHRRHZIGZ-UHFFFAOYSA-N 201.200 2.700 0 50 BFAA in-vitro BrC1=NO[C@@H](c2ccccc2)C1 30678664 LNXKJBBQEFYTQV-MRVPVSSYSA-N 226.073 2.856 0 50 BFAA in-vitro COC(=O)c1cc(C)cc(C(F)(F)F)c1 47202438 ZJRWZTJHPBADAP-UHFFFAOYSA-N 218.174 2.800 0 50 BFAA CCCCNCCC(=O)c1ccccc1OC 49827523 SVEZOCYWWAYHDQ-UHFFFAOYSA-N 235.327 2.658 0 50 BFAA CNNCc1ccc(Oc2ccccc2)cc1 95917791 SZBVDTZOONXMQT-UHFFFAOYSA-N 228.295 2.703 0 50 BFAA CN(C)CCC[C@H]1CCc2ccccc2C1=O 96027126 OVFPNIFDJWLVGQ-ZDUSSCGKSA-N 231.339 2.774 0 50 BFAA CCCCN(CCN(C)C)c1ccccc1 96027947 VRFKEKITURNKIZ-UHFFFAOYSA-N 220.360 2.855 0 50 BFAA CSC(C)(C)CNc1cccc(C)n1 138619008 LIVLODCCIZWVCY-UHFFFAOYSA-N 210.346 2.944 0 50 BFAA OCCC1(CNc2ccc3ccccc3n2)CC1 157242586 IRTWIFJAZWZYHJ-UHFFFAOYSA-N 242.322 2.809 0 50 BFAA CNc1nc(Cl)ccc1Br 252510297 ZGICSDCFHLOVII-UHFFFAOYSA-N 221.485 2.539 0 50 BFAA Cc1cccc(NC(=O)c2cc(C)n(C)c2C)n1 298064660 BGWVZGUMQRFDPN-UHFFFAOYSA-N 243.310 2.598 0 50 BFAA CC(C)(C(=O)N[C@H]1CC=CCC1)C(F)F 336439533 DSYYBPAFFZFYLB-QMMMGPOBSA-N 217.259 2.503 0 50 BFAA Cc1ccc2n[nH]cc2c1[C@H]1CNC[C@@H](C)C1 757216110 XSVSDLGPQNDFIA-GXSJLCMTSA-N 229.327 2.584 0 50 BFAA C[C@H](NCc1noc2c1CCCC2)[C@@H]1CC12CC2 888095953 GCRYPHDULVCZKE-JQWIXIFHSA-N 246.354 2.832 0 50 BFAA C=CC(=O)N[C@@H](C)c1cc2cccc(F)c2o1 888098434 FRDLTZFWPWEWNI-QMMMGPOBSA-N 233.242 2.935 0 50 BFAA CCc1noc(-c2n[nH]cc2-c2ccccc2)n1 1875340355 XGEHEILFUBITIO-UHFFFAOYSA-N 240.266 2.689 0 50 BFAA OC[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 211194 LIZSEDKZNXDJBH-LBPRGKRZSA-N 239.746 2.544 0 50 BFAA Cc1ccc(OCc2occc2C(=O)O)cc1 229868 YUKSPCVAXVOFAB-UHFFFAOYSA-N 232.235 2.865 0 50 BFAA NC(=O)c1cccnc1Nc1ccc(Cl)cc1 334952 FJVCXMXKUZAAEY-UHFFFAOYSA-N 247.685 2.578 0 50 BFAA O=C1OC(c2ccco2)=N/C1=C/c1cccs1 356183 ICWDLELKWPAHQS-VQHVLOKHSA-N 245.259 2.686 0 50 BFAA COc1ccc(-c2ccccc2CC(=O)O)cc1 1259315 QYTGRAKPKIWJGN-UHFFFAOYSA-N 242.274 2.989 0 50 BFAA in-vitro CCOC(=O)C(F)(F)c1ccc(Cl)cc1 31829536 VGULHXRXMXNYHN-UHFFFAOYSA-N 234.629 2.995 0 50 BFAA COc1ccc(C=O)cc1CN1CCC[C@@H](C)C1 34925016 PISJPJSRMYEKGK-GFCCVEGCSA-N 247.338 2.740 0 50 BFAA in-vitro C[C@@H](O)c1ccc(NC(=O)c2ccccc2)cc1 35188729 KELRWTBDHHZZFX-LLVKDONJSA-N 241.290 2.992 0 50 BFAA in-vitro COc1cc2c(cc1Br)CCC2=O 71773570 UOPZFPWKIZTDRV-UHFFFAOYSA-N 241.084 2.587 0 50 BFAA C[C@H]1Cc2ccccc2[C@H]1Nc1cnn(C)c1 157327774 IAIYKUVPTSCWJL-HZMBPMFUSA-N 227.311 2.766 0 50 BFAA Cc1ccc(OCc2nc(C3CC3)no2)cc1F 192577439 UJBXNGGAEVPKAM-UHFFFAOYSA-N 248.257 2.974 0 50 BFAA CCc1nnc([C@H](C)N[C@H]2CCCC[C@H]2C)o1 252511023 DCAJHUPVPJKRRP-VWYCJHECSA-N 237.347 2.861 0 50 BFAA FC(F)(F)CN[C@H]1CC2CCC1CC2 307427313 SAFYMHUJZQEIRA-HACHORDNSA-N 207.239 2.717 0 50 BFAA C[C@@H]1CCC[C@@H](NC(=O)Nc2cnsc2)C1 888095436 GCFBMBXPFDQKTM-RKDXNWHRSA-N 239.344 2.843 0 50 BFAA C=CC(=O)Nc1ccccc1CCSC 1353216075 RJZVLABJKCOVFA-UHFFFAOYSA-N 221.325 2.717 0 50 BFAA O=C(O)C1CC2(CC(OCc3ccccc3)C2)C1 1772716203 XXAVEBZVNMVCNF-UHFFFAOYSA-N 246.306 2.847 0 50 BFAA c1cn(C2(C3CC3)CC2)c(-c2cnsc2)n1 1857729402 ZHXSBHCEEJWTOW-UHFFFAOYSA-N 231.324 2.906 0 50 BFAA C=CC(=O)NC[C@H]1C[C@H](OC(C)(C)C)C1(C)C 1875368170 WZSOFMSEPMQHNH-MNOVXSKESA-N 239.359 2.518 0 50 BFAA Cc1cc(NC(=O)C(F)(F)C(C)C)cnc1C 2325804381 JMQSSQKDQWSXBF-UHFFFAOYSA-N 242.269 2.928 0 50 BFAA Cc1cc(C(=O)O)c(NC(=O)C(C)(C)C)s1 570925 QGGGLFAQLJKYKA-UHFFFAOYSA-N 241.312 2.739 0 50 BFAA CCCCN(CCCC)CCCCO 1655695 WTFHNNKAJBKQSG-UHFFFAOYSA-N 201.354 2.661 0 50 BFAA CN(C)Cc1c[nH]c2cc(Cl)ccc12 1688890 PQOIPGFSMNOWAU-UHFFFAOYSA-N 208.692 2.883 0 50 BFAA O=Cc1cccn1-c1ccc(F)cc1F 2582723 BPFNJDGVQOLORV-UHFFFAOYSA-N 207.179 2.568 0 50 BFAA in-vitro CC(C)c1cc(C(=O)O)c2cnn(C(C)C)c2n1 3349688 DMECABOZAOLLJG-UHFFFAOYSA-N 247.298 2.834 0 50 BFAA Cc1ccc(O)c(NC(=O)c2ccco2)c1 4197706 RLKAWJIZIHNQHZ-UHFFFAOYSA-N 217.224 2.546 0 50 BFAA CN(C)C[C@@H]1C[C@@H](C(C)(C)C)CCC1=O 4808552 GBQVZNKFIVRWDH-QWRGUYRKSA-N 211.349 2.580 0 50 BFAA CCc1nnc(S)n1-c1ccc(Cl)cc1 6395534 VUHBPEKIPLNPAK-UHFFFAOYSA-N 239.731 2.772 0 50 BFAA C[C@@H]1CN=C(Nc2ccc(N(C)C)cc2)S1 12341402 GRFZECBQOVYTMH-SECBINFHSA-N 235.356 2.656 0 50 BFAA O=C(O)C1(c2ccc(Br)cc2)CC1 12505564 BYJIXWOWTNEVFO-UHFFFAOYSA-N 241.084 2.565 0 50 BFAA in-vitro Cc1cccc(NC(=S)NC2CCCC2)n1 13518880 DCMQGMUVRWPDQQ-UHFFFAOYSA-N 235.356 2.619 0 50 BFAA Cc1ccc2[nH]c(=O)nc(-c3ccccc3)c2c1 18178344 ULRSRGDZNASHQP-UHFFFAOYSA-N 236.274 2.899 0 50 BFAA C[C@H](Nc1ncnc2[nH]cnc12)c1cccs1 32577785 LLMQJUAJYXRRNT-ZETCQYMHSA-N 245.311 2.588 0 50 BFAA COCO[C@H]1CC(C)(C)C=C1Br 43198809 ITIUHRWFUPQORO-QMMMGPOBSA-N 235.121 2.684 0 50 BFAA Oc1ccc(-c2cccc3c2CCNC3)cc1F 72123933 IKRDJSJTVRQQSV-UHFFFAOYSA-N 243.281 2.844 0 50 BFAA Cn1ncnc1[C@@]1(c2ccccc2F)CC1(C)C 91551533 YVDHXSLFNKBULI-AWEZNQCLSA-N 245.301 2.670 0 50 BFAA Nc1ccccc1CNc1ccc2c(n1)CCC2 134310859 WLVGENAXSANZDC-UHFFFAOYSA-N 239.322 2.765 0 50 BFAA C1=C[C@H]2C[C@H]1C[C@H]2CNc1ccccn1 157432475 RQLMWNKEFGYQOY-SRVKXCTJSA-N 200.285 2.706 0 50 BFAA CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(N)cc1 166373995 SUYAPBUIUDTGLR-NWDGAFQWSA-N 248.326 2.649 0 50 BFAA N[C@H](c1ncccc1C(F)(F)F)C1CC1 238582028 VYALZZLVVHXXNB-QMMMGPOBSA-N 216.206 2.510 0 50 BFAA CC1CCC(NC(=O)[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)CC1 240551490 GUDFDFJNQHENKZ-MJOYPGEDSA-N 247.382 2.973 0 50 BFAA CCCc1noc(C(Cl)(Cl)Cl)n1 526056101 UWJQSPIKOKZIOZ-UHFFFAOYSA-N 229.494 2.849 0 50 BFAA CC(C)c1onc(-c2ccco2)c1C(=O)O 675057393 FSPFIJYYGPFKOI-UHFFFAOYSA-N 221.212 2.756 0 50 BFAA O=Cc1sccc1-c1cccc(C(=O)O)c1 725272152 NBUTUOCYONZRIF-UHFFFAOYSA-N 232.260 2.926 0 50 BFAA Cc1cc(C)c2sc3nncn3c2c1 1615890561 LBGURTPTYUPVSD-UHFFFAOYSA-N 203.270 2.561 0 50 BFAA CC(=O)c1ccc(N2CCCC2)c(F)c1 139742 GETWGIMLYQVKIA-UHFFFAOYSA-N 207.248 2.629 0 50 BFAA in-vitro CCOC(=O)c1sc(-c2cccnc2)nc1C 158614 PNJYSPUXYJWHJJ-UHFFFAOYSA-N 248.307 2.690 0 50 BFAA CC(C)(C)CC(=O)Nc1ccc2c(c1)OCO2 311839 PBNQGWUUPOQXLC-UHFFFAOYSA-N 235.283 2.790 0 50 BFAA Cc1cccc(NC(=O)c2ccccc2C)n1 395816 RZYZWEBQGXGTQY-UHFFFAOYSA-N 226.279 2.951 0 50 BFAA Cc1cccc(NC(=O)NCC(C)C)c1 396898 HAYVYADDUNSPGV-UHFFFAOYSA-N 206.289 2.773 0 50 BFAA CC(C)(C)[C@H]1CCc2onc(C(=O)O)c2C1 818991 YAICHDLMXOAJLD-ZETCQYMHSA-N 223.272 2.524 0 50 BFAA CC1CCN(C(=O)c2ccc(Cl)nc2)CC1 1463606 HFUXHFSZHKPOCB-UHFFFAOYSA-N 238.718 2.607 0 50 BFAA Brc1ccc([C@@H]2CCCN2)s1 3732472 NYYCGPJXVQUCIE-LURJTMIESA-N 232.146 2.935 0 50 BFAA in-vitro CCOC(=O)c1c(C)c2ccccc2n1C 6870133 BXBKNBNJZLQOJH-UHFFFAOYSA-N 217.268 2.663 0 50 BFAA O=Cc1cccc(OC(=O)c2ccc(F)cc2)c1 14015607 SHNKMRDAANVRCF-UHFFFAOYSA-N 244.221 2.857 0 50 BFAA Cc1ccc(OCCCC(=O)N2CCCC2)cc1 14401350 SKTTUFKJXCYDBP-UHFFFAOYSA-N 247.338 2.776 0 50 BFAA COc1cc(-c2cccc3cccnc23)ncn1 32587241 UBGSMBHWUYPCIE-UHFFFAOYSA-N 237.262 2.700 0 50 BFAA CC(C)NC(=O)c1ccc(Cl)cc1F 50822916 XLXYIMPGNZQINN-UHFFFAOYSA-N 215.655 2.617 0 50 BFAA CCc1cc2cc(Br)cnc2[nH]1 66054206 LEBUTEDILHIQJK-UHFFFAOYSA-N 225.089 2.888 0 50 BFAA in-vitro CCSC[C@H](C)NCc1cn2ccccc2n1 67654116 BCFREUWIILCNDC-NSHDSACASA-N 249.383 2.566 0 50 BFAA CCCCNC[C@H]1COc2c(C)cccc2C1=O 96026739 VBNNABVRLJOZLX-LBPRGKRZSA-N 247.338 2.576 0 50 BFAA C[C@H]1O[C@@H]2c3ccccc3C[C@H]2[C@@H](C)O1 113455389 SHWFPOIJJLMZKA-MNUQUWEESA-N 204.269 2.681 0 50 BFAA O=C(Nc1ccccn1)Oc1ccc(F)cc1 136730092 YDKKTXVEMNAGEV-UHFFFAOYSA-N 232.214 2.832 0 50 BFAA Nc1cccc2nc(C(F)(F)F)ccc12 146618629 UGYLLBKPGJJJAY-UHFFFAOYSA-N 212.174 2.836 0 50 BFAA Cc1cc(F)ccc1CC1(C(=O)O)CC1 163315890 XOMWZAUOVHNMTN-UHFFFAOYSA-N 208.232 2.541 0 50 BFAA CC(C)(C)OCCSC1=NCCS1 194655506 KNXPWLHWNGFSMY-UHFFFAOYSA-N 219.375 2.638 0 50 BFAA Nc1c(OC(F)F)cccc1C(F)(F)F 258834386 PASLRKVWLZPANY-UHFFFAOYSA-N 227.132 2.889 0 50 BFAA c1cnc(NCc2ccc3occc3c2)nc1 351640640 JEDOGPGKJISDSF-UHFFFAOYSA-N 225.251 2.835 0 50 BFAA C=CC(=O)N1CC[C@H](c2ccccc2)O[C@H](C)C1 1776007131 JGMOYYVCKUFJHK-TZMCWYRMSA-N 245.322 2.551 0 50 BFAA Cc1ccncc1NC(=O)CC1C[C@H]2C[C@@H]2C1 1875290662 WEHZCBNACMTKKE-RYUDHWBXSA-N 230.311 2.765 0 50 BFAA CC(C)C[C@@H]1CCN1c1ccnc(C2CC2)n1 2325767461 ZZXHESPIYAVIOG-LBPRGKRZSA-N 231.343 2.979 0 50 BFAA CC(=O)Cc1cccc(C(F)(F)F)c1 56508 JPHQCDCEBDRIOL-UHFFFAOYSA-N 202.175 2.837 0 50 BFAA in-vitro O[C@H]1C[C@H](c2ccccc2)NC2(CCCC2)C1 88474 OMBCWYLENQIVBL-UONOGXRCSA-N 231.339 2.785 0 50 BFAA CC1(C)C[C@](CC(=O)O)(c2ccccc2)CCO1 210028 VOWBSUAXGNNDGB-HNNXBMFYSA-N 248.322 2.988 0 50 BFAA biogenic Brc1ccnc(Br)c1 330775 PCMMSLVJMKQWMQ-UHFFFAOYSA-N 236.894 2.607 0 50 BFAA in-vitro CCOc1ccc2ccccc2c1C(=O)O 405276 MYFBSSDLYGWAHH-UHFFFAOYSA-N 216.236 2.937 0 50 BFAA in-vitro CC[C@H](C)NC(=O)c1cc(-c2ccccc2)on1 815043 LDNDXBBSMABXOQ-JTQLQIEISA-N 244.294 2.870 0 50 BFAA O=c1[nH]c2ccccc2n1CCc1ccccc1 2713421 PBAGJXUKLXPDRX-UHFFFAOYSA-N 238.290 2.572 0 50 BFAA O=C(Nc1cccc(F)c1)NC1CCCC1 6731679 NSSVGHWBFOSKOU-UHFFFAOYSA-N 222.263 2.890 0 50 BFAA CCCn1c([C@@H](O)CC)nc2ccccc21 7548716 LMPLMPRIWDMDSQ-LBPRGKRZSA-N 218.300 2.890 0 50 BFAA COc1ccc2c(OC)ccc(C(=O)O)c2c1 12956779 PCBJZCAKNURVSK-UHFFFAOYSA-N 232.235 2.555 0 50 BFAA c1ccc2c(CN3CCOCC3)cccc2c1 19632897 GGWYLBCLWGXMMY-UHFFFAOYSA-N 227.307 2.672 0 50 BFAA Cc1cccc(NC(=O)c2coc(C)n2)c1 22606322 WPODORVQSXGKMQ-UHFFFAOYSA-N 216.240 2.544 0 50 BFAA O[C@@H]1C=C[C@@]23C=CC=C[C@@]2(CC=CC3)C1 45071734 QJHLWNOGCIAERA-HZSPNIEDSA-N 200.281 2.756 0 50 BFAA O=C1O[C@@H]2[C@H]3C[C@@H](C[C@H]13)[C@@H]2Sc1ccccc1 101371570 BKQRLBIGHDNYAP-KMLBKCHNSA-N 246.331 2.729 0 50 BFAA Cc1ccncc1NC(=O)Nc1cnccc1C 169451988 ZUNZURQKAVXTKM-UHFFFAOYSA-N 242.282 2.737 0 50 BFAA FC(F)CN1CCC(NC2CCCCC2)CC1 169998841 GXCPNYTUZLTYPJ-UHFFFAOYSA-N 246.345 2.638 0 50 BFAA NC(=O)c1cccc(Nc2ccccc2)c1 204011879 USAQIWWHDAVIIT-UHFFFAOYSA-N 212.252 2.529 0 50 BFAA Cc1nc(-c2ccccn2)sc1-c1ccn[nH]1 221553739 SZJUKBASQPQMPO-UHFFFAOYSA-N 242.307 2.904 0 50 BFAA CCOc1ccc(C(=O)O)cc1OC(C)C 226233939 BBACQINFBBZPGO-UHFFFAOYSA-N 224.256 2.571 0 50 BFAA c1cc(N2CCCCC2)nc(NC2CCCC2)n1 244007188 SIPSEBMHQKQHPZ-UHFFFAOYSA-N 246.358 2.821 0 50 BFAA O=C1CC[C@]2(CC[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]32)O1 257355649 BWGQYUVNAHAZKO-DQYMBCKPSA-N 206.285 2.518 0 50 BFAA CCS[C@H](C)c1noc([C@]2(C)CCCO2)n1 357310309 GOTRZNANXDPFRQ-KCJUWKMLSA-N 242.344 2.909 0 50 BFAA CSCCC(=O)NC[C@@H]1CC12CCCCC2 584890036 SZRXJOMUWPMVHC-NSHDSACASA-N 241.400 2.826 0 50 BFAA O=C(Nc1cnc(S)s1)c1ccccc1 1857800319 WGUTWCYQDRKJLW-UHFFFAOYSA-N 236.321 2.684 0 50 BFAA C=CC(=O)Nc1ccc(C(F)(F)CF)cc1 1875368250 CKQJIHJESHVZQG-UHFFFAOYSA-N 229.201 2.872 0 50 BFAA CC[C@@H](C)C(=O)NCc1ccc(C)cc1 30726 KXMWLEIYHAUXFA-LLVKDONJSA-N 205.301 2.657 0 50 BFAA C[C@]12CCCC[C@@H]1c1ccccc1C(=O)N2 93599 OILHGVNUGYSDRQ-OCCSQVGLSA-N 215.296 2.846 0 50 BFAA O=C(Cc1cccs1)N1CCc2ccccc21 194971 VYMAVMPMEBLVMM-UHFFFAOYSA-N 243.331 2.880 0 50 BFAA Cc1c(C(=O)O)cccc1-c1ccc(C=O)o1 308824 ABNPGQRDALSXCP-UHFFFAOYSA-N 230.219 2.766 0 50 BFAA Cc1cc(C)c(OCC(=O)NC(C)C)c(C)c1 458983 QWDDYWAXIVRATI-UHFFFAOYSA-N 235.327 2.515 0 50 BFAA O=C(Cc1ccccc1Cl)Nc1ccccn1 1055488 ZHLDGSLIIXINPG-UHFFFAOYSA-N 246.697 2.916 0 50 BFAA CCOCCOC(=O)Nc1ccccc1CC 2166445 LFDOTZKNWHFPJQ-UHFFFAOYSA-N 237.299 2.834 0 50 BFAA CCOC(=O)C[C@H](N)c1ccc(C)c(Cl)c1 2553916 QFHAMEVOSZISPN-NSHDSACASA-N 241.718 2.601 0 50 BFAA Fc1ccc(F)c(Br)c1F 2560119 CNAXDCSHYHIOGW-UHFFFAOYSA-N 210.980 2.866 0 50 BFAA biogenic,in-vitro FC(F)c1cc(-c2ccco2)nc2ccnn12 2747871 KOGALMPFVSYVFI-UHFFFAOYSA-N 235.193 2.927 0 50 BFAA CCC(CC)NC(=O)[C@H](C)Oc1ccccc1 4675339 CZWNJQMOHJBILR-NSHDSACASA-N 235.327 2.759 0 50 BFAA Cc1cc(C)c(OCCN(C)C)c(Cl)c1 4907408 BOPYYRHETUVOJL-UHFFFAOYSA-N 227.735 2.897 0 50 BFAA COc1ccccc1CN[C@@H]1CCCC[C@@H]1OC 4952863 WIYJMEIIKKRJEO-HIFRSBDPSA-N 249.354 2.742 0 50 BFAA NCc1c(-c2ccc(F)cc2)nc2ccccn12 6424173 URHFMTPQJUZNQU-UHFFFAOYSA-N 241.269 2.599 0 50 BFAA CCc1c(C(=O)Nc2ccon2)csc1C 13745842 PNFZWPQLFYYNOM-UHFFFAOYSA-N 236.296 2.859 0 50 BFAA O=C(NC1CC1)c1ccc(N2CCCCC2)cc1 14401389 MLIHWDBWSFRESQ-UHFFFAOYSA-N 244.338 2.569 0 50 BFAA Clc1cc2[nH]cc(Br)c2cn1 14986196 KRXKOASQVGQLHZ-UHFFFAOYSA-N 231.480 2.979 0 50 BFAA in-vitro CCOC(=O)c1cc(O)c2ccsc2c1 34519337 IRKXYMTWJQZIPG-UHFFFAOYSA-N 222.265 2.784 0 50 BFAA in-vitro CCOC(=O)[C@H](C)Sc1ccccc1OC 43638362 ZJAQKSDRPNCVSP-VIFPVBQESA-N 240.324 2.739 0 50 BFAA Cc1n[nH]c([C@H](C)Oc2cccc(Cl)c2)n1 51018468 VXRAPTHJLFWSEL-ZETCQYMHSA-N 237.690 2.907 0 50 BFAA C1=C[C@H](Cc2nc(Cc3ccccc3)n[nH]2)CC1 65403576 XGOPYCMJBUHMBS-ZDUSSCGKSA-N 239.322 2.904 0 50 BFAA C[C@@H](O)c1c(F)cc(Br)cc1F 75852785 UTNQRIXFILAHIG-SCSAIBSYSA-N 237.043 2.781 0 50 BFAA in-vitro Cc1cc(C)c(O)c(I)c1 95864832 KUDRANMELYZFGK-UHFFFAOYSA-N 248.063 2.614 0 50 BFAA C[C@H]1CCCN(C(=O)CC[C@H]2CCCO2)CC1 130446106 AATZITGSAXRFEE-QWHCGFSZSA-N 239.359 2.594 0 50 BFAA Cc1nc(NCC(C)(C)c2ccccc2)n(C)n1 170086112 IMYWEPBNEASHJY-UHFFFAOYSA-N 244.342 2.513 0 50 BFAA C[C@@H]1C[C@@H]1NC(=O)NCC[C@@H]1C[C@H]2CC[C@H]1C2 225408609 NBVOMBFLALFPOL-SJHCENCUSA-N 236.359 2.520 0 50 BFAA CCSC[C@@H](C)NCc1cc(C2CC2)n[nH]1 584889802 AGOVBKVXABLDTC-SECBINFHSA-N 239.388 2.518 0 50 BFAA CCCn1nc(CC)nc1[C@H](C)n1cccc1 823032986 CDFBSLPHPGOIBV-NSHDSACASA-N 232.331 2.661 0 50 BFAA Cc1csc(CN(C)c2ccncc2F)n1 1506429626 SIPUTSOOOIELHK-UHFFFAOYSA-N 237.303 2.622 0 50 BFAA Oc1c(F)cc(OC(F)(F)F)cc1F 1848350222 MERYGUYOAWBUSJ-UHFFFAOYSA-N 214.089 2.569 0 50 BFAA CC(C)Cc1csc(N[C@@H]2COC[C@H]2C)n1 1875280511 QNKLWQJZVINMIS-MWLCHTKSSA-N 240.372 2.788 0 50 BFAA O=C(O)c1c2c(nc3ccc(F)cc13)CCCC2 111101 YIWXZCMEDNUVEH-UHFFFAOYSA-N 245.253 2.951 0 50 BFAA Nc1nnc(SCc2ccccc2F)s1 151170 IDUVACIKPBPMOZ-UHFFFAOYSA-N 241.316 2.552 0 50 BFAA Cc1cc(O)ccc1NC(=O)c1ccccc1 307646 ZXKUBFNVCNOCSV-UHFFFAOYSA-N 227.263 2.953 0 50 BFAA aggregator CCOC(=O)c1cc(Cl)nc(Cl)c1 331593 PVPBMYSZXFNZOM-UHFFFAOYSA-N 220.055 2.565 0 50 BFAA in-vitro CNCCCOc1ccc(Cl)c(C)c1 2844361 XYOOPSYBWSRCKX-UHFFFAOYSA-N 213.708 2.637 0 50 BFAA COc1ccc(C(=O)CC(=O)C(C)(C)C)cc1 3876604 OSXVBUXRCUKXPU-UHFFFAOYSA-N 234.295 2.883 0 50 BFAA CN(C)CCOc1cccc(C(F)(F)F)c1 4477772 UYYALXLYWVCFOT-UHFFFAOYSA-N 233.233 2.646 0 50 BFAA in-vitro Cc1occc1C(=O)Nc1nc2ccccc2[nH]1 8548520 IKJKJZMTPNPCSL-UHFFFAOYSA-N 241.250 2.717 0 50 BFAA O=c1[nH]c2ccc(C(F)(F)F)cc2s1 14985073 KEZZFJQCDUJFJY-UHFFFAOYSA-N 219.187 2.608 0 50 BFAA Cc1n[nH]c(C)c1CCN(C)C[C@@H]1CC12CCC2 19229397 ISAGTUOHEXNFKY-ZDUSSCGKSA-N 247.386 2.691 0 50 BFAA CN(Cc1ccccc1)C[C@H](O)c1ccccc1 19608650 STCYDMAVKVKJBI-INIZCTEOSA-N 241.334 2.852 0 50 BFAA CCN1CCN([C@@H](C)CCc2ccccc2)CC1 19636098 TVLFARSZKCDJHP-HNNXBMFYSA-N 246.398 2.645 0 50 BFAA OCC/C=C\CCCCO[C@H]1CCCCO1 34439012 BSDWMRHTDLMCNJ-GIDQFRGBSA-N 228.332 2.639 0 50 BFAA CS(=O)(=O)C(c1ccccc1)c1ccccc1 58595297 JWZJLQFATOGURI-UHFFFAOYSA-N 246.331 2.821 0 50 BFAA Fc1c(Cl)ccnc1Br 95093343 MNHUVWMNRKYGGI-UHFFFAOYSA-N 210.433 2.637 0 50 BFAA CCc1cnc(NCCCOC2CCCC2)nc1 95363237 TYBMNQHQNNLYFM-UHFFFAOYSA-N 249.358 2.800 0 50 BFAA Nc1cc(-c2ccccc2)ccc1[N+](=O)[O-] 114453776 FWFWQBIQPVAXEI-UHFFFAOYSA-N 214.224 2.844 0 50 BFAA C[C@@H](NC(=O)c1c(O)cccc1F)c1ccco1 163638247 RMRAUVYKVJFXTK-MRVPVSSYSA-N 249.241 2.615 0 50 BFAA C[C@@H](CCO)CNc1ccnc2c(F)cccc12 170089568 QOWKVQMMJDYIQP-JTQLQIEISA-N 248.301 2.804 0 50 BFAA COCCOc1ccc(F)c(Cl)c1 194501276 IRAZLCXXPDPZAN-UHFFFAOYSA-N 204.628 2.504 0 50 BFAA O=C1CCc2ccc(Br)c(F)c21 217046213 BIMMJVIETAHQMW-UHFFFAOYSA-N 229.048 2.717 0 50 BFAA Fc1ccc2nc(CN3CCCC3)ccc2c1 1141637130 PDAHIJNFJQXYPH-UHFFFAOYSA-N 230.286 2.970 0 50 BFAA O=C(CCCC1CC1)Nc1ccsn1 1596200518 FVMXIYQFSKDYIE-UHFFFAOYSA-N 210.302 2.662 0 50 BFAA Cn1cc(C(=O)N2CCC2)c2cccc(Cl)c21 2325784407 ATWDQQGPDPLJRU-UHFFFAOYSA-N 248.713 2.678 0 50 BFAA COc1ccccc1C(=O)Nc1nc(C)cs1 69048 DDWMQJLQFAHZTI-UHFFFAOYSA-N 248.307 2.712 0 50 BFAA C[C@@H](CC(=O)NCc1ccccc1)[C@@H]1CCCO1 198739 JCBJRIFKIORSDK-JSGCOSHPSA-N 247.338 2.508 0 50 BFAA Cc1ccccc1CSCC(=O)NC1CC1 452109 ZXTKOFMGADFAAC-UHFFFAOYSA-N 235.352 2.507 0 50 BFAA Nc1cccc(-c2ccc(C(=O)O)cc2)c1 2574116 QUVFHVHLCFFINS-UHFFFAOYSA-N 213.236 2.634 0 50 BFAA CC[C@H](CO)NCc1ccc(-c2ccccc2)o1 4942836 PBASCIKCDTYXKD-CYBMUJFWSA-N 245.322 2.807 0 50 BFAA Cc1cccc(C(C)C)c1NC(=O)CCC(=O)O 8025047 GRCUSKVECIIUGY-UHFFFAOYSA-N 249.310 2.922 0 50 BFAA C[C@H](N)[C@H]1C[C@@H]1c1ccccc1Br 20594421 JJRCPHOYTSNRQT-FXBDTBDDSA-N 240.144 2.900 0 50 BFAA CCCOc1cc(Br)ccc1CO 37025630 DTPPBAPKRNLWJG-UHFFFAOYSA-N 245.116 2.730 0 50 BFAA in-vitro COC(=O)c1cc(/C=C/c2ccccc2)c[nH]1 71278735 LFQBDWSCWWBLHM-BQYQJAHWSA-N 227.263 2.972 0 50 BFAA CC(C)n1ccnc1CN1C[C@H]2CC=CC[C@H]2C1 71776324 ACPCRNJYQOKMFD-OKILXGFUSA-N 245.370 2.862 0 50 BFAA Cc1noc(/C=C/c2ccccc2F)n1 113744208 CGOKGOMEEOKDFT-VOTSOKGWSA-N 204.204 2.688 0 50 BFAA CC1=CCC[C@H](C)[C@H]1CN[C@@H](C)CCCO 152623002 IIYKRXGZKIPFKQ-IHRRRGAJSA-N 225.376 2.729 0 50 BFAA CC[C@H]1CCc2ccccc2N1C(C)=O 177662927 QNZIXXFVTHOLMV-LBPRGKRZSA-N 203.285 2.764 0 50 BFAA O=C(O)c1c(Cl)nc(Cl)c2c1CCC2 220582495 PUQXELDUHILVSZ-UHFFFAOYSA-N 232.066 2.575 0 50 BFAA C[C@@H]1C[C@@H]1C(=O)N[C@H]1CCC[C@@H](C2CC2)C1 685939491 QCLFIMYJAVLOSV-XEZLXBQYSA-N 221.344 2.727 0 50 BFAA Cc1cc(-c2n[nH]c(CC(C)C)n2)cc(C)c1O 821471684 YGOGUIAZSOEDAD-UHFFFAOYSA-N 245.326 2.993 0 50 BFAA COc1cc2c(cc1OC)C1(CCCC1)CNC2 50932 XYJMWHOOHCGMMD-UHFFFAOYSA-N 247.338 2.619 0 50 BFAA Cc1[nH]c2ccc(Cl)cc2c1CCN 129247 PPPQHAMKVHECAL-UHFFFAOYSA-N 208.692 2.631 0 50 BFAA O=C(CCc1ccccc1)Nc1ccc(O)cc1 362862 OHWHQNCVWRVQFT-UHFFFAOYSA-N 241.290 2.964 0 50 BFAA CCC(=O)NC(=S)Nc1cc(C)cc(C)c1 570213 BEFODDCJBXXFIF-UHFFFAOYSA-N 236.340 2.526 0 50 BFAA FC(F)c1n[nH]c(C(F)F)c1Cl 2537003 GVNPAXKOYSBIBT-UHFFFAOYSA-N 202.538 2.938 0 50 BFAA CCOC(=O)c1sc2ccc(N)cc2c1C 2566985 HWUQWROLRSTSGZ-UHFFFAOYSA-N 235.308 2.969 0 50 BFAA CCCN(CC1CC1)C1CCN(CC)CC1 3683562 VPEOJSPXPZVDHN-UHFFFAOYSA-N 224.392 2.593 0 50 BFAA CC(C)(C)[C@H]1C[C@H](O)CN(C(C)(C)C)C1 4011309 SXCPSDUKJOOIEW-QWRGUYRKSA-N 213.365 2.514 0 50 BFAA O=C1O[C@H](c2ccccc2)C(Cl)=C1Cl 4085447 DCZUHULHKRPPLT-SECBINFHSA-N 229.062 2.974 0 50 BFAA Cc1cc(C)nc(NC(=O)c2ccco2)c1 6233023 XXRSWDBWKFKQEB-UHFFFAOYSA-N 216.240 2.544 0 50 BFAA in-vitro Cc1ccc(C(=O)N[C@@H](C)[C@@H]2CCCO2)cc1C 6730584 PHPBKIILYPSVTQ-JSGCOSHPSA-N 247.338 2.601 0 50 BFAA N=C(N)SCc1cccc2ccccc12 12979350 SHGHJFRHODQTAY-UHFFFAOYSA-N 216.309 2.966 0 50 BFAA CN(C(=O)OC(C)(C)C)c1ccc(CN)cc1 19738632 IGHYTPRPKZWCGC-UHFFFAOYSA-N 236.315 2.517 0 50 BFAA Fc1ccc(Cc2nsc(Cl)n2)cc1 47218912 RAIOGYGCVOVRIV-UHFFFAOYSA-N 228.679 2.921 0 50 BFAA in-vitro Brc1ccc([C@H]2NCCS2)cc1 53993683 YHMUSIBVYIZADU-VIFPVBQESA-N 244.157 2.784 0 50 BFAA COC(=O)c1cc2ccc(OC)cc2s1 71257111 VMGJIYVZMYUFSI-UHFFFAOYSA-N 222.265 2.697 0 50 BFAA in-vitro CCCCN1Cc2c([nH]c3ccccc23)C1=O 71774169 QUKPWILUIYSKCF-UHFFFAOYSA-N 228.295 2.924 0 50 BFAA Cn1cnc2cc(Br)c(F)c(F)c21 85477311 ZGZACHGAOZFXKQ-UHFFFAOYSA-N 247.042 2.614 0 50 BFAA in-vitro O[C@@H]1C=C[C@]23C=CC=C[C@@]2(CC=CC3)C1 101052396 QJHLWNOGCIAERA-MGPQQGTHSA-N 200.281 2.756 0 50 BFAA CCC[C@@H]1CCC(=O)[C@@H](C(=O)C(C)C)C1 112750724 JZHIEWWMIAUPCM-MNOVXSKESA-N 210.317 2.997 0 50 BFAA c1ccc(CCc2noc([C@@H]3CCCO3)n2)cc1 113746757 CVAFHVXPCFJTEY-LBPRGKRZSA-N 244.294 2.706 0 50 BFAA C[C@@H](C(=O)NC1CCCCCC1)n1cccc1 130218032 UZFYJDZMTWYXGC-LBPRGKRZSA-N 234.343 2.888 0 50 BFAA OCc1coc(-c2ccc(C(F)(F)F)cc2)n1 164816069 FCVSGLPWXVBEHT-UHFFFAOYSA-N 243.184 2.853 0 50 BFAA CC1=CCC[C@]1(C(=O)O)c1ccccc1 217807665 MLSYOTFEBOIWHY-CYBMUJFWSA-N 202.253 2.749 0 50 BFAA biogenic CCCCCNC(=O)N1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 240333484 FDMWFLRDHPDGNF-ZDEQEGDKSA-N 236.359 2.617 0 50 BFAA Cc1noc(C2CC2)c1NC(=O)[C@@H]1[C@H]2CCC[C@H]21 248509240 YTXBJRNALRKATO-URLYPYJESA-N 246.310 2.845 0 50 BFAA C[C@@H](CCN[C@H]1CC[C@@H](C)C[C@H]1C)[S@](C)=O 253370258 OJRBYTJFTMKNKF-WSGDXGOYSA-N 245.432 2.558 0 50 BFAA C=CC(=O)Nc1ccc2nc(C3CC3)oc2c1 791382358 YGPSKLDBCWCJOS-UHFFFAOYSA-N 228.251 2.830 0 50 BFAA CC(=O)N1CC[C@@H]2CC[C@@]21c1cccs1 1875272231 JLATXSGDONDZIA-JQWIXIFHSA-N 221.325 2.606 0 50 BFAA CCC[C@@H](C)NCc1ncc(C(F)(F)F)[nH]1 1875275027 QFVSAFYHTGHWST-SSDOTTSWSA-N 235.253 2.707 0 50 BFAA C=CC(=O)N(C)C[C@@H](OC(C)C)c1ccccc1 1875376432 WPPODRAPKVEREB-CQSZACIVSA-N 247.338 2.797 0 50 BFAA CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 57464 WKSAUQYGYAYLPV-UHFFFAOYSA-N 248.717 2.524 0 50 BFAA biogenic,fda C[C@H]1Cn2c(nnc2-c2cccs2)S1 105856 RTOPSXMJURBQPL-LURJTMIESA-N 223.326 2.501 0 50 BFAA Cc1cccc(C(=O)NCCc2ccccc2)c1 128748 PUXFKJNTLNBQMJ-UHFFFAOYSA-N 239.318 2.968 0 50 BFAA biogenic CC(C)(C)OC(=O)C(C)(C)Br 153250 IGVNJALYNQVQIT-UHFFFAOYSA-N 223.110 2.502 0 50 BFAA in-vitro N=C1c2ccccc2CN1c1cccc(O)c1 188311 SBYHXSFJGWSGMT-UHFFFAOYSA-N 224.263 2.738 0 50 BFAA COc1ccc(NC(=O)OC(C)C)cc1 215338 CBGPYPHIFVEQTQ-UHFFFAOYSA-N 209.245 2.652 0 50 BFAA COc1ccc([C@@H](C)NC(=O)c2ccco2)cc1 356935 BTISTMQWAMMYFV-SNVBAGLBSA-N 245.278 2.779 0 50 BFAA CC(C)(C)C(=O)N1CCc2ccccc21 1481019 UIOSPFGFEDYHTR-UHFFFAOYSA-N 203.285 2.622 0 50 BFAA CC(C)(O)c1ccc(C(F)(F)F)cc1 2141602 MKBAAKBUZIREBE-UHFFFAOYSA-N 204.191 2.933 0 50 BFAA CCSCC(=O)Nc1ccc(F)cc1 2866591 CZUIHEOPRQFMGE-UHFFFAOYSA-N 213.277 2.517 0 50 BFAA C1CN[C@H](C23CC4CC(CC(C4)C2)C3)C1 4237891 YVRRAISBZUMEJB-PRTVBDMESA-N 205.345 2.955 0 50 BFAA in-vivo CCc1n[nH]c2ccc(Br)cc12 45166760 ULRBCMBSTWUHPK-UHFFFAOYSA-N 225.089 2.888 0 50 BFAA c1ccc(CCc2n[nH]c(C3CCC3)n2)cc1 65393875 ABWUAPIVRHEBMW-UHFFFAOYSA-N 227.311 2.857 0 50 BFAA Cc1cc(-c2ccc3c(c2)CCO3)cnc1N 65404471 GDUSCYFUCPYZRJ-UHFFFAOYSA-N 226.279 2.574 0 50 BFAA COc1ccc(C=O)c(C(F)(F)F)c1OC 82046889 RVBGIIWJLAXZGT-UHFFFAOYSA-N 234.173 2.535 0 50 BFAA in-vitro Cc1cc(N)c(-c2ccc(C(=O)O)o2)cc1C 227156751 RUHFTSNCUZZKJT-UHFFFAOYSA-N 231.251 2.844 0 50 BFAA C=CC(=O)NC1(c2ccccc2F)CCC1 1336675355 FBTZKURHHZDNAZ-UHFFFAOYSA-N 219.259 2.507 0 50 BFAA C[C@H]1C[C@H](C)CN(C(=O)COc2ccccc2)C1 30927 RPIULTSCBJBBEP-STQMWFEESA-N 247.338 2.570 0 50 BFAA Nc1ccc(Sc2ccccc2)nc1 78402 UDPFENQZHIOLIT-UHFFFAOYSA-N 202.282 2.815 0 50 BFAA O=C1N=C(c2ccccc2)[C@H](c2ccccc2)N1 129315 UXKWMBYYIUTXCY-ZDUSSCGKSA-N 236.274 2.940 0 50 BFAA Oc1ccc(Nc2ccc(O)cc2)cc1 186362 YRUPBAWWCPVHFT-UHFFFAOYSA-N 201.225 2.841 0 50 BFAA in-vitro O=C(O)Cc1csc(Nc2ccccc2)n1 367974 CNHWQJCDAYINJA-UHFFFAOYSA-N 234.280 2.514 0 50 BFAA C[C@H]1Cc2ccccc2N1C(=O)c1cccnc1 994893 QUJFOVNCHIYEMM-NSHDSACASA-N 238.290 2.673 0 50 BFAA CN(Cc1ccccc1)C(=O)c1ccco1 1226027 OWHDSTQQGAWXJM-UHFFFAOYSA-N 215.252 2.552 0 50 BFAA Cc1cccc(C(=O)OCc2cncs2)c1 1403721 GGNPJPIGEHRXLV-UHFFFAOYSA-N 233.292 2.809 0 50 BFAA Nc1ccn(Cc2ccc(Cl)cc2Cl)n1 2558387 WBQSPUUQWRMCAY-UHFFFAOYSA-N 242.109 2.820 0 50 BFAA Brc1ccc(Cn2ccnc2)cc1 4810192 MZJSYLIOMLCYIS-UHFFFAOYSA-N 237.100 2.694 0 50 BFAA in-vivo COc1cc(CN2CCC[C@H](C)C2)ccc1O 4989088 GMBHVGBXIAAQIC-NSHDSACASA-N 235.327 2.633 0 50 BFAA COP(=O)(Nc1ccc(C)cc1)OC 6070928 FOCQRYILYZJBSX-UHFFFAOYSA-N 215.189 2.808 0 50 BFAA FC(F)(F)c1cccc(NC[C@@H]2CCCN2)c1 12404717 YPRUEIMHBIBQLC-NSHDSACASA-N 244.260 2.869 0 50 BFAA in-vitro CCCc1ccc(C(=O)Nc2nncs2)cc1 13746510 APIHNAOEXONBOD-UHFFFAOYSA-N 247.323 2.743 0 50 BFAA OC1[C@H]2C=C[C@H]1[C@H]1[C@H]2[C@H]2C[C@H]1c1ccccc12 104282792 SEETXPIYCYPGLK-GXYBRJDSSA-N 224.303 2.680 0 50 BFAA CCS[C@@H]1CCC[C@@H]1Nc1nc(C)ns1 195542706 MWHYCNYMQRYDPW-DTWKUNHWSA-N 243.401 2.933 0 50 BFAA CCC/C=C/c1ccccc1O[C@@H](C)C(N)=O 426716839 HZFGGNUZTQDJGB-BWNDKRECSA-N 233.311 2.753 0 50 BFAA C=CC(=O)N1CC2(CCCCC2)[C@H]1C(C)C 863971039 CBIHEJSXAJCIGN-CYBMUJFWSA-N 221.344 2.990 0 50 BFAA O=C(NCC1CC1)c1cc(F)c2ncccc2c1 873917591 VPNXKQLFGKGEDP-UHFFFAOYSA-N 244.269 2.514 0 50 BFAA Fc1cc(F)cc(-c2ccc3nncn3c2)c1 1239654979 CGPLTDVYAVWNJI-UHFFFAOYSA-N 231.205 2.675 0 50 BFAA COC(=O)c1cccc2c1-c1ccccc1C2=O 133561 WSTDJPDRIAZQON-UHFFFAOYSA-N 238.242 2.685 0 50 BFAA C[C@H](NC(=O)NC(C)(C)C)c1ccccc1 136896 GINDCBFYEUWKKJ-JTQLQIEISA-N 220.316 2.845 0 50 BFAA CCNC(=O)[C@H](C)Sc1ccc(Cl)cc1 281521 ZCCYGQFGOGPHOD-QMMMGPOBSA-N 243.759 2.957 0 50 BFAA O=C(CC1CCCCC1)NCc1ccco1 316988 QGULOJSZHRUFEW-UHFFFAOYSA-N 221.300 2.866 0 50 BFAA O=C(Nc1cccc(F)c1)OCc1cccnc1 397668 JPKOCLSXZBFXRB-UHFFFAOYSA-N 246.241 2.969 0 50 BFAA CCOc1ncnc2ccc(Cl)cc12 1593723 ZBDPLPRMJBHVSC-UHFFFAOYSA-N 208.648 2.682 0 50 BFAA CCc1ccccc1C(=O)C(F)(F)F 2579827 SQJPNNHULDCRPO-UHFFFAOYSA-N 202.175 2.994 0 50 BFAA COc1cc(C)ccc1OCCCCN(C)C 2823959 LVFHIYOCOWUQFH-UHFFFAOYSA-N 237.343 2.724 0 50 BFAA COc1ccc(OC)c([C@@H]2CCCCCN2)c1 3735021 RASXBJXFKIIDMM-ZDUSSCGKSA-N 235.327 2.909 0 50 BFAA CC[C@@H](C)Oc1c(C=O)cccc1OC 5655289 FHALBHJLYWQNFN-SECBINFHSA-N 208.257 2.685 0 50 BFAA in-vitro Cc1ccc(-c2nnc(S)n2C)c(Cl)c1 5730451 KOLUGUSYZUHLIA-UHFFFAOYSA-N 239.731 2.733 0 50 BFAA CCc1n[nH]c(N)c1-c1cccc(Cl)c1 8701447 LLHHROLCLLKKIY-UHFFFAOYSA-N 221.691 2.875 0 50 BFAA Cc1nc(-c2ccc(F)cc2)ccc1C(=O)O 11730392 XEJOXNREXHRKEN-UHFFFAOYSA-N 231.226 2.894 0 50 BFAA in-vitro COc1cccc(Oc2cncc(Cl)n2)c1 38082253 MTHCUVUKXYAKMB-UHFFFAOYSA-N 236.658 2.931 0 50 BFAA Cc1cc(C(F)(F)F)ccc1C(=O)O 66322935 VGRSPVWAKZZUFU-UHFFFAOYSA-N 204.147 2.712 0 50 BFAA CC(C)(C)OC(=O)NC1(c2ccccn2)CC1 90635970 SJMCLXGSTZURGK-UHFFFAOYSA-N 234.299 2.595 0 50 BFAA CCCCNC[C@@H]1COc2cc(C)ccc2C1=O 96026742 PKOQPYYOYXTKTL-GFCCVEGCSA-N 247.338 2.576 0 50 BFAA CN(C)CC(=O)C1(c2ccccc2)CCCC1 96027970 ZHBXSUZNFIQSLJ-UHFFFAOYSA-N 231.339 2.629 0 50 BFAA Cc1nc(-c2ccncc2)sc1-c1cc[nH]n1 169225176 RDOCHCMRZJNXDF-UHFFFAOYSA-N 242.307 2.904 0 50 BFAA C[C@H]1CCCCN(Cc2ccccc2)C1=O 196230763 AWORBBROWYQGKR-LBPRGKRZSA-N 217.312 2.835 0 50 BFAA COc1cc(Cl)cc(C(F)(F)F)n1 238417554 BLSVURZNHFVZPN-UHFFFAOYSA-N 211.570 2.762 0 50 BFAA Cc1nc(-c2ccc(CCN)cc2)c(C)s1 258166581 YPIXYUSDBDSNNX-UHFFFAOYSA-N 232.352 2.928 0 50 BFAA C[C@H]1C[C@@H](C)O[C@@H]1c1nc(-c2ccccn2)no1 283745279 FDBAOMMEEMTNKO-NGZCFLSTSA-N 245.282 2.618 0 50 BFAA CCOc1ncccc1-c1noc(C2CCC2)n1 356251254 VGDLWGVSOGRXKG-UHFFFAOYSA-N 245.282 2.798 0 50 BFAA Cc1nc(-c2cccc(OCC(C)C)c2)nn1C 426667370 KIGZVDLJURDZGU-UHFFFAOYSA-N 245.326 2.825 0 50 BFAA C[C@@H]([C@H](O)c1ccc(F)cc1)N1CCCCC1 584620881 LSJZIYPSKQUOEB-FZMZJTMJSA-N 237.318 2.734 0 50 BFAA Cc1cc(O)ccc1C(=O)N(C)C[C@H]1CC1(C)C 584887859 FVQWLZZDWHOCHF-LLVKDONJSA-N 247.338 2.819 0 50 BFAA Cc1c(Cl)ccc(CN[C@H](C)CO)c1Cl 921585149 BTRRTTHULKRKNB-SSDOTTSWSA-N 248.153 2.772 0 50 BFAA C=C/C(C)=C/CC(=O)NCCc1cccc(C)n1 1775986675 MJEXCHMXZCEEGV-XYOKQWHBSA-N 244.338 2.571 0 50 BFAA O=C(N[C@H]1CCc2ccccc21)c1cnsc1 1857681244 FFUNCAWGYNEZIU-LBPRGKRZSA-N 244.319 2.560 0 50 BFAA CC[S@@](=O)C12CC3CC(CC(C3)C1)C2 1875256628 JQAPEFGVCCNKKP-KCCZXEEPSA-N 212.358 2.724 0 50 BFAA CN(C(=O)c1cccc(N)c1)c1ccccc1 225994 PKOVFFWYXWEFSN-UHFFFAOYSA-N 226.279 2.545 0 50 BFAA in-vitro COc1ccccc1N(C(C)=O)[C@@H](C)C1CC1 392703 ADQXPDZRFGHZAK-JTQLQIEISA-N 233.311 2.847 0 50 BFAA NC(=O)N[C@@H](c1ccccc1)c1ccccc1F 438714 ODXYTAROUUKKPM-ZDUSSCGKSA-N 244.269 2.583 0 50 BFAA Cc1ccc(C(=O)n2cnc3ccccc32)o1 442310 IFLZKZXPXNGAPB-UHFFFAOYSA-N 226.235 2.626 0 50 BFAA COC(=O)/C=C/c1cccc(Br)c1 1396161 GPBINNSHRSTZQE-AATRIKPKSA-N 241.084 2.635 0 50 BFAA in-vitro COc1ccc(Nc2ccncc2)cc1 1512292 INXBNBZNGNIUQJ-UHFFFAOYSA-N 200.241 2.834 0 50 BFAA O=C(O)c1ccccc1OC(F)(F)C(F)F 2243252 SKLLNTQHBPZMDI-UHFFFAOYSA-N 238.136 2.622 0 50 BFAA in-vitro Nc1n[nH]cc1-c1cccc(C(F)(F)F)c1 3636114 PSSKIVAWXWVOPK-UHFFFAOYSA-N 227.189 2.678 0 50 BFAA c1cncc(-c2nc(-c3cccs3)no2)c1 4686685 YWJZRAHEPABBHR-UHFFFAOYSA-N 229.264 2.860 0 50 BFAA CCN(CC)CCOc1cccc(C)c1 4989664 UVDFZOBSTHZKFA-UHFFFAOYSA-N 207.317 2.716 0 50 BFAA CC(C)c1n[nH]c(=S)n1Cc1ccco1 12505075 QBWGYOBIJCHIGP-UHFFFAOYSA-N 223.301 2.705 0 50 BFAA in-vitro Cc1cccc2c(=O)[nH]c(-c3ccccc3)nc12 16577257 WLZJEOODSSBWMB-UHFFFAOYSA-N 236.274 2.899 0 50 BFAA in-vivo C1=CC[C@H](c2nc(Cc3cccnc3)no2)CC1 20119764 MHVLHUMWYUTSJZ-LBPRGKRZSA-N 241.294 2.879 0 50 BFAA BrC1=NO[C@H](c2ccccc2)C1 30678668 LNXKJBBQEFYTQV-QMMMGPOBSA-N 226.073 2.856 0 50 BFAA in-vitro Oc1ccc2ncc(Br)cc2c1 34370194 IGCRMJVOMNKTGB-UHFFFAOYSA-N 224.057 2.703 0 50 BFAA in-vitro CCC(C)(C)NC(=O)COc1cccc(C)c1 41864284 XSFHLOKMVNZLQA-UHFFFAOYSA-N 235.327 2.679 0 50 BFAA CC[C@@H](C)N(Cc1cccnc1)Cc1c[nH]cn1 55196071 LNFKCNVWNMWXBS-GFCCVEGCSA-N 244.342 2.605 0 50 BFAA CCc1c(Br)cccc1C(=O)O 66325801 VXQLZSPAHPPVPE-UHFFFAOYSA-N 229.073 2.710 0 50 BFAA Cc1cc(C)n(C2CN(Cc3ccsc3)C2)n1 97522739 FMUVPZKEVRHWRY-UHFFFAOYSA-N 247.367 2.618 0 50 BFAA CC[C@H](C)C(=O)N(c1ccccc1)[C@@H]1CCOC1 192079473 LUNLGNSYNGEFEE-GXTWGEPZSA-N 247.338 2.855 0 50 BFAA COc1ccc(OC)c2c1[C@H]1[C@H]3C[C@@H]2[C@@H]31 216332701 VTSCFAUQUCVNCR-PEUIVOKDSA-N 202.253 2.534 0 50 BFAA O=C(O)c1cccc2ncc(Cl)cc12 253496171 PISNEWHZPOPSNP-UHFFFAOYSA-N 207.616 2.586 0 50 BFAA in-vitro Fc1cccc([C@H]2CNCCN2CC2CCC2)c1 262166021 HJGRJENKTXJQSB-OAHLLOKOSA-N 248.345 2.572 0 50 BFAA C/C=C/CC(=O)N1CC(Oc2ccc(C)cc2)C1 584885518 RXKBNIPQSGRUPD-ONEGZZNKSA-N 245.322 2.551 0 50 BFAA Cc1ccccc1O[C@@H](c1nc[nH]n1)C(C)C 820711294 VHLPMKWCQVXQQV-GFCCVEGCSA-N 231.299 2.889 0 50 BFAA Cc1cnc(C)c(Oc2ccc3c[nH]nc3c2)n1 1639579875 GKGDEOVDQLPOAB-UHFFFAOYSA-N 240.266 2.762 0 50 BFAA CC(C)[C@@H]1C[C@H]1NCc1cc2c(O)nccc2o1 1657165298 IFMWYCBQAHZQMI-CMPLNLGQSA-N 246.310 2.668 0 50 BFAA CC(=O)c1cccc(NC(=O)C=C(C)C)c1 145692 XUIIWXZCZHITLR-UHFFFAOYSA-N 217.268 2.794 0 50 BFAA OCc1ccc(-n2cnc3ccccc32)cc1 168836 IRZKUEWQJPIBJF-UHFFFAOYSA-N 224.263 2.518 0 50 BFAA in-vitro C[C@H](CC(=O)NCc1ccccc1)[C@@H]1CCCO1 198741 JCBJRIFKIORSDK-OCCSQVGLSA-N 247.338 2.508 0 50 BFAA C[C@@H]1Cc2ccccc2N1C(=O)c1cccnc1 994894 QUJFOVNCHIYEMM-LLVKDONJSA-N 238.290 2.673 0 50 BFAA O=C(O)c1cccc(Br)c1Cl 2013308 LNURMIDMOXCNEH-UHFFFAOYSA-N 235.464 2.801 0 50 BFAA in-vitro O=Cc1ccc(OCC(=O)c2ccccc2)cc1 2513457 DUFOKNRIMNOESJ-UHFFFAOYSA-N 240.258 2.761 0 50 BFAA in-vitro CC(C)(Oc1cccc(C(F)(F)F)c1)C(=O)O 2557826 DRROMOGOGUVQOW-UHFFFAOYSA-N 248.200 2.947 0 50 BFAA O=C(O)c1ccc(C(F)(F)F)c(F)c1F 2560152 URRNELYPUJPPFT-UHFFFAOYSA-N 226.100 2.682 0 50 BFAA in-vitro OCC[C@H]1CCCCN1C/C=C/c1ccccc1 4022287 JUWIHHKKOXDMDU-YXMGTMDOSA-N 245.366 2.937 0 50 BFAA CC(C)CCOc1cccc(C(=O)O)c1 6883413 HOCWIVDRDZHCRS-UHFFFAOYSA-N 208.257 2.810 0 50 BFAA Cc1cccc(CNCCc2ccccc2)n1 19236353 NBXFDDJYZYOHCW-UHFFFAOYSA-N 226.323 2.722 0 50 BFAA in-vitro O=C(O)c1cnc2ccc(Cl)cc2c1 32099568 UYQIRJWFRMCAID-UHFFFAOYSA-N 207.616 2.586 0 50 BFAA C[C@@H](SC(=S)c1ccccc1)C(=O)O 40848126 HPSQKMAZWIIJBT-SSDOTTSWSA-N 226.322 2.568 0 50 BFAA Cc1ccc(CC(=O)NCc2ccco2)c(C)c1 72437106 DPQOVJQYVUQSJX-UHFFFAOYSA-N 243.306 2.755 0 50 BFAA COC(=O)c1ccc2c(c1)nc(C)n2C(C)C 76210291 WLTJFLMJMFOWKP-UHFFFAOYSA-N 232.283 2.712 0 50 BFAA O[C@@H](c1cccc(Br)c1)C(F)F 87686908 OEAKNZDZYSNZMG-ZETCQYMHSA-N 237.043 2.748 0 50 BFAA Clc1cc(Cl)c(Cn2ccnc2)cn1 166005516 JCUTZJQLEBMUKF-UHFFFAOYSA-N 228.082 2.633 0 50 BFAA Clc1csc(CN2CCCC2)c1 192989328 QFWIPLXQILIISF-UHFFFAOYSA-N 201.722 2.997 0 50 BFAA C[C@]1(C(=O)O)CC[C@@H]2C(Br)=C[C@]21C 238950392 XVYWNXXKUFDIRD-BDODKLCJSA-N 245.116 2.786 0 50 BFAA biogenic CC(C)COc1c(F)ccc(O)c1F 261494388 WJJOEPDYGBMHDF-UHFFFAOYSA-N 202.200 2.705 0 50 BFAA N[C@H](c1nccs1)C1(O)CCCCCCC1 958528023 MKDKGLXVPLMTCO-SNVBAGLBSA-N 240.372 2.618 0 50 BFAA CN(c1nc(-c2cnsc2)cs1)C1CC1 1615591888 ULCNCHMZJUJXQS-UHFFFAOYSA-N 237.353 2.865 0 50 BFAA CC(=O)c1cccc(NC(=O)c2ccncc2)c1 377350 KRJADIRBSSTLHL-UHFFFAOYSA-N 240.262 2.537 0 50 BFAA O=C(Nc1ccccc1)[C@H]1CCCC[C@H]1C(=O)O 397876 CMLOGIAOLIBOQF-NWDGAFQWSA-N 247.294 2.516 0 50 BFAA O=C(/C=C/c1ccc(F)cc1)N1CCCCC1 432888 JEDYXKIAEGBYIE-RMKNXTFCSA-N 233.286 2.851 0 50 BFAA OC(Cc1ccccc1)Cc1ccccc1 1848529 CDLPUTDLLBHWRA-UHFFFAOYSA-N 212.292 2.833 0 50 BFAA in-vitro C[C@@H](N)C(=O)Nc1ccccc1-c1ccccc1 4721782 FJDNEQGQOTXTEC-LLVKDONJSA-N 240.306 2.639 0 50 BFAA COc1ccc(C(=O)n2nc(C)c(C)c2C)cc1 10155522 VAGMZSXNGROGBN-UHFFFAOYSA-N 244.294 2.505 0 50 BFAA Brc1nc2c(s1)CCCC2 31772067 ZOKVOUATOUMFEK-UHFFFAOYSA-N 218.119 2.784 0 50 BFAA in-vitro Cc1ccc2nc([C@H]3CCCN3)[nH]c2c1C 34924843 RMMWWJVDMGWUCD-LLVKDONJSA-N 215.300 2.604 0 50 BFAA in-vitro CNc1cc(Br)ccc1F 36533379 CICFTLHOMUTOBN-UHFFFAOYSA-N 204.042 2.630 0 50 BFAA in-vitro CCC(C)(C)NC(=O)COc1ccccc1F 41864316 WPGKINWGQRQYQX-UHFFFAOYSA-N 239.290 2.509 0 50 BFAA CCOc1ccc([C@@H](C)O)c(OCC)c1 42684315 HLEWKJICLMIORG-SECBINFHSA-N 210.273 2.537 0 50 BFAA in-vitro CC1(C)CNc2ncc(Br)cc21 113902470 WTTQSJVBFSPAHO-UHFFFAOYSA-N 227.105 2.547 0 50 BFAA CO[C@@H]1C[C@H](c2ccccc2)CCC1=O 146768658 BDWYLSNDWRACPH-DGCLKSJQSA-N 204.269 2.538 0 50 BFAA in-vitro C[C@@H]1CC[C@H](NC[C@H](O)c2ccncc2)C[C@H]1C 253369473 CXIOPHKHLHPKGW-UXOAXIEHSA-N 248.370 2.529 0 50 BFAA CCc1nccn1C[C@H](C)N(C)Cc1ccco1 1506420594 LHHSBWIJCRZXDF-LBPRGKRZSA-N 247.342 2.559 0 50 BFAA Cc1cccc2cc(C(=O)NC3CCC3)[nH]c12 2325701275 ZLDRCDDARRBTRO-UHFFFAOYSA-N 228.295 2.759 0 50 BFAA O=C(Nc1cccnc1)c1cccc(Cl)c1 29721 ZGARRZAZQCZDIE-UHFFFAOYSA-N 232.670 2.987 0 50 BFAA CC1=CC(=O)O[C@@H]1Cc1ccc2ccccc2n1 262734 TUHWOPISQPWMOH-CQSZACIVSA-N 239.274 2.649 0 50 BFAA biogenic NC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 435770 FEUKXAYBBVOZJE-AWEZNQCLSA-N 240.306 2.639 0 50 BFAA O=C(c1cccc(F)c1F)N1CCCCCC1 444516 BQMUJOBBJOBSPI-UHFFFAOYSA-N 239.265 2.981 0 50 BFAA Cc1cc(N2CCCC2)c(F)cc1C=O 615292 JXZONLCMWVRBJT-UHFFFAOYSA-N 207.248 2.547 0 50 BFAA in-vitro Cc1ccc(Cl)c(O[C@H](C)C(=O)O)c1 2526124 FYAUPTBCTGCOAA-SSDOTTSWSA-N 214.648 2.500 0 50 BFAA in-vitro NNc1c(F)cc(C(F)(F)F)cc1Cl 2540188 LDEAIXDNMCHKOF-UHFFFAOYSA-N 228.576 2.784 0 50 BFAA in-vitro COC(=O)/C=C/c1ccccc1C(F)(F)F 2540450 FKNSNJMXPAZNKV-VOTSOKGWSA-N 230.185 2.892 0 50 BFAA Cc1ccc(C[C@H]2CCCNC2)cc1F 2555487 SLWUPZOJGRKMMK-GFCCVEGCSA-N 207.292 2.676 0 50 BFAA in-vitro C[C@H]1C[C@H](NCCc2ccccc2)[C@H](C)CN1C 4454389 KPRIEJCCTJJFOU-YCPHGPKFSA-N 246.398 2.547 0 50 BFAA O=C(/C=C/c1ccccc1Cl)n1cccn1 4614074 MTIBBBMXPDAIDL-VOTSOKGWSA-N 232.670 2.890 0 50 BFAA CCOC(C[C@H](OCC)OCC(C)C)OCC 4831685 AVWVCFBADLJOIX-CYBMUJFWSA-N 248.363 2.811 0 50 BFAA O=C(O)c1cnc(-c2ccccc2)s1 6116819 LCALUFNLWHYTKX-UHFFFAOYSA-N 205.238 2.508 0 50 BFAA in-vitro CCCC(=O)N[C@@H](C)c1ccc(OC)cc1 6699259 NAOUTQZYGCMBBP-JTQLQIEISA-N 221.300 2.673 0 50 BFAA COC(=O)[C@@H](C)Oc1cc(C)ccc1Cl 6844632 SITBEBOYLOYKGY-MRVPVSSYSA-N 228.675 2.589 0 50 BFAA CCOc1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H]2C)cc1 13329290 UPIVXKPPLYIXHK-COPLHBTASA-N 247.338 2.919 0 50 BFAA CCCC[C@@H]1C(=O)N(c2ccccc2)N=C1O 13813248 REOJLIXKJWXUGB-NSHDSACASA-N 232.283 2.711 0 50 BFAA in-man Cc1cc(C)cc(C(=O)N[C@@H](C)[C@@H]2CCCO2)c1 16604689 MFDLETVRXNHKDX-JSGCOSHPSA-N 247.338 2.601 0 50 BFAA O=C1CCCN1Cc1cc(C2CCCCC2)no1 95391824 ZPRPCIISNHZSEX-UHFFFAOYSA-N 248.326 2.845 0 50 BFAA CS[C@H](C)Cn1c(C)cc(C(=O)O)c1C 169066675 WTSMKFWYVZJCGB-MRVPVSSYSA-N 227.329 2.555 0 50 BFAA COc1ccc2cc(C(=O)O)sc2c1F 215488445 ZBSHNCFIEYCSBG-UHFFFAOYSA-N 226.228 2.747 0 50 BFAA C[C@H](O)Cc1c(F)ccc(Cl)c1F 258233936 WDQMPQQHEQADFC-YFKPBYRVSA-N 206.619 2.542 0 50 BFAA O=C(Nc1ccsc1)N[C@@H]1CC[C@H](F)C1 334237668 LZOCVMAMZXCFGM-JGVFFNPUSA-N 228.292 2.760 0 50 BFAA C=Cn1cc(CNc2cccc3c2CCO3)cn1 355516710 QMXZYSHMJDLFHB-UHFFFAOYSA-N 241.294 2.531 0 50 BFAA O=C1OC[C@@H](Sc2ccc3c(c2)CCC3)O1 408516399 YDUWUDCBJXDSPU-LLVKDONJSA-N 236.292 2.760 0 50 BFAA CCC1(CC)CCN(c2ncnc3[nH]ccc23)C1 446834617 HUBCZHPTJBLLRU-UHFFFAOYSA-N 244.342 2.974 0 50 BFAA O=C(c1cccc2[nH]ccc12)C1CCOCC1 1772811769 YRHMJHDDQIXBDQ-UHFFFAOYSA-N 229.279 2.777 0 50 BFAA Cc1ccc(C(=O)N2CC=C[C@@H]2C(C)C)cc1O 1857689133 GWGUDWJEHRRXPK-CYBMUJFWSA-N 245.322 2.737 0 50 BFAA Cc1cccc(NC(=O)c2cccnc2)c1C 29319 ITEFUIWRDPERIC-UHFFFAOYSA-N 226.279 2.951 0 50 BFAA c1coc(CCC2=NCCn3cccc32)c1 35386 XXDFZYFLUGYVHC-UHFFFAOYSA-N 214.268 2.517 0 50 BFAA CC[C@H](C)NC(=O)COc1cccc(C)c1C 138265 ATDUXDPQGKIMNI-NSHDSACASA-N 235.327 2.597 0 50 BFAA Cc1nn(Cc2ccccc2Cl)c(C)c1N 214849 MNUSNANEFYOHHG-UHFFFAOYSA-N 235.718 2.784 0 50 BFAA COc1ccc(NC(=O)N2CCC[C@H](C)C2)cc1 398418 IXNHTIQNLQFRDQ-NSHDSACASA-N 248.326 2.959 0 50 BFAA Cc1cc(C)n(-c2nc3ccccc3nc2C)n1 493849 ONKNWHBCKSSZHX-UHFFFAOYSA-N 238.294 2.741 0 50 BFAA c1ccc2[nH]c(NC3CCCC3)nc2c1 513099 NCEQHHBCDDBPRF-UHFFFAOYSA-N 201.273 2.917 0 50 BFAA Cc1noc(C)c1C(=O)NCCC1=CCCCC1 1053636 CDMDKICUIFSGRO-UHFFFAOYSA-N 248.326 2.912 0 50 BFAA COc1cccc(NC(=O)Nc2cccnc2)c1 1121283 GKIAWSXZHIOODH-UHFFFAOYSA-N 243.266 2.734 0 50 BFAA CCOC(=O)[C@H](Cc1ccccc1)c1ccno1 1406281 GOFCYRWPLKXVMI-GFCCVEGCSA-N 245.278 2.564 0 50 BFAA O=C(c1cc2ccccc2oc1=O)C(F)(F)F 2243169 IYIZRPNLJMTSTB-UHFFFAOYSA-N 242.152 2.538 0 50 BFAA COC(=O)c1ccc(-c2cccc(C=O)c2)cc1 2525668 AQDLVJIWBSWMFZ-UHFFFAOYSA-N 240.258 2.953 0 50 BFAA in-vitro C[C@@H]1[C@@H](C)C1(Br)Br 3051604 LHYCCVIMMLLDLH-QWWZWVQMSA-N 227.927 2.758 0 50 BFAA NCCc1ccc(OCc2ccccc2)cc1 3639046 MKKMZZXGIORPMU-UHFFFAOYSA-N 227.307 2.767 0 50 BFAA in-vitro CCOC(=O)C[C@H](N)c1cccc2ccccc12 3678305 YOQPDEDCVQCATH-AWEZNQCLSA-N 243.306 2.793 0 50 BFAA Cc1cc(Nc2cccc(F)c2)ncn1 11903103 CULWYNCFNQXSTD-UHFFFAOYSA-N 203.220 2.668 0 50 BFAA CC[C@H](C)NC(=O)NCCC1=CCCCC1 13745682 PLRHCOCIERDVGO-NSHDSACASA-N 224.348 2.975 0 50 BFAA CCCC(=O)c1cc(OC)c(OC)cc1OC 14817762 CSBSTMGRAOUNFM-UHFFFAOYSA-N 238.283 2.695 0 50 BFAA CCC1CCC(NC(=O)c2ccncc2)CC1 16603892 CLBGPYBXYXUEAN-UHFFFAOYSA-N 232.327 2.780 0 50 BFAA CCCNc1ccc(Br)cn1 20567372 HIEGJHDCEBPELP-UHFFFAOYSA-N 215.094 2.666 0 50 BFAA in-vitro CCOC(=O)C(F)(F)c1cccc(Cl)c1 31829508 JEZFHRLBCLCNEP-UHFFFAOYSA-N 234.629 2.995 0 50 BFAA in-vitro Nc1cnc(-c2ccccc2C(F)(F)F)cn1 32592821 YKIHNHSTJNYTNO-UHFFFAOYSA-N 239.200 2.745 0 50 BFAA O=C1CCCc2nc(-c3cccnc3)sc21 50329652 COKVUYJORMEUSU-UHFFFAOYSA-N 230.292 2.724 0 50 BFAA CCc1ccccc1-c1nccc(NC)n1 52202280 HGHLJABSWTUWAA-UHFFFAOYSA-N 213.284 2.748 0 50 BFAA Cc1cc(-c2nc(C)n[nH]2)c2cccc(C)c2n1 65387457 LSODPZFYSSXZCU-UHFFFAOYSA-N 238.294 2.945 0 50 BFAA CCCOCCn1cc([C@H]2CC=CCC2)nn1 67842245 INKAMTUMOXBUPC-LBPRGKRZSA-N 235.331 2.528 0 50 BFAA COC(=O)c1ccc2c(c1)ncn2C(C)(C)C 75935181 XYAHVMLVBBICJJ-UHFFFAOYSA-N 232.283 2.578 0 50 BFAA in-vitro CCOC(=O)Cc1ccc(C2CC2)cc1 87493579 AEVGEGQUYRLIED-UHFFFAOYSA-N 204.269 2.670 0 50 BFAA CC1=CC[C@H]2CO[C@@H](CN3CCCCC3)[C@H]1C2 100291489 JFVBLVUPDVJWIA-ILXRZTDVSA-N 235.371 2.844 0 50 BFAA COc1ncccc1N[C@H](C)c1cncc(F)c1 170067559 FYDIIUXSSQMWGS-SECBINFHSA-N 247.273 2.797 0 50 BFAA CC[C@@H](C(=O)O)C1CC(C)(C)NC(C)(C)C1 196972756 FGXZNHOTGVPVGM-SNVBAGLBSA-N 227.348 2.654 0 50 BFAA O[C@H]1CC[C@H](NCc2ccccc2Cl)CC1 245204772 GZQQYJGHLTXHSH-HAQNSBGRSA-N 239.746 2.733 0 50 BFAA COc1cc(C)cc(OC)c1-c1cc(N)ccn1 426421014 BOXBAKYYFGGPJY-UHFFFAOYSA-N 244.294 2.656 0 50 BFAA CCN1C[C@H](C)N(C[C@H]2CC=CCC2)[C@@H](C)C1 585116587 BTULWZHAIYVMCM-KKUMJFAQSA-N 236.403 2.757 0 50 BFAA O=C(Nc1cccnc1)N1CC[C@@H](C2CCC2)C1 666333357 UBWKEFSKVSDUDS-GFCCVEGCSA-N 245.326 2.736 0 50 BFAA CC1(C)CCc2nnc(Cc3ccsc3)n2C1 1616037597 DKRCDNHURTWGQA-UHFFFAOYSA-N 247.367 2.903 0 50 BFAA CC(C)c1cccc(N=c2nc[nH]s2)c1 2356151368 FVSKAEOUCZDWRZ-UHFFFAOYSA-N 219.313 2.827 0 50 BFAA c1ccc2c(NC3CCCC3)ncnc2c1 151428 JONLSKSSHXZUAI-UHFFFAOYSA-N 213.284 2.984 0 50 BFAA CN(CCc1ccccn1)Cc1ccc(F)cc1 182040 SCFVHYNTNIGMHD-UHFFFAOYSA-N 244.313 2.895 0 50 BFAA Oc1ccc(-c2cn3ccccc3n2)cc1 333152 XTZDIUGVJZDRGY-UHFFFAOYSA-N 210.236 2.707 0 50 BFAA O=C1OCC[C@H]1Sc1ccc(Cl)cc1 386121 RAZVFEJOZHRSAC-SECBINFHSA-N 228.700 2.748 0 50 BFAA Oc1cccc(OCCOc2cccc(O)c2)c1 2140908 DBFHCPVZZSVFJL-UHFFFAOYSA-N 246.262 2.556 0 50 BFAA Clc1ncc(CN2CCCCC2)s1 5670268 QDFNRYQWJPYGOX-UHFFFAOYSA-N 216.737 2.782 0 50 BFAA in-vitro COc1cccc([C@H](N)c2ccccc2)c1 13495655 LIDXQEPVXSQPEE-CQSZACIVSA-N 213.280 2.743 0 50 BFAA Cc1cc(NC(=O)c2csc(C)c2)no1 16579958 NWSAZVOMCZHDJJ-UHFFFAOYSA-N 222.269 2.605 0 50 BFAA Nc1cnc(-c2ccc(Cl)c(F)c2)cn1 19638173 YMJKPCNFVPTQOD-UHFFFAOYSA-N 223.638 2.518 0 50 BFAA CCN(CC)CCc1c[nH]c2cccc(O)c12 22001974 OHHYMKDBKJPILO-UHFFFAOYSA-N 232.327 2.758 0 50 BFAA in-vitro CCOC(=O)[C@@H](C)SCc1ccccc1 34101940 KIQWCXXXGXNNGQ-SNVBAGLBSA-N 224.325 2.871 0 50 BFAA CC(=O)c1c(O)c(Cl)cc(Cl)c1O 34320106 JPBMVUZFDSULAA-UHFFFAOYSA-N 221.039 2.607 0 50 BFAA CCC(CC)(CC)NC(=O)Cc1cccc(N)c1 86642076 FFFTUBDULLXXBL-UHFFFAOYSA-N 248.370 2.896 0 50 BFAA COc1ccccc1CN[C@@H]1CS[C@@H](C)C1 86934089 XNTMAEXMJSFMRU-JQWIXIFHSA-N 237.368 2.679 0 50 BFAA CC(C)C(=O)[C@@H]1C[C@@H](C(C)C)CCC1=O 112750751 GFCMCMHCUZLQMA-WDEREUQCSA-N 210.317 2.853 0 50 BFAA C[C@@H]1Cc2cc(Br)ccc2[C@H]1N 215075612 ZQLAOTFDLUKLFM-LDWIPMOCSA-N 226.117 2.641 0 50 BFAA CCN1CC[C@@H](NCc2ccccc2)[C@@H](C)C1 222074261 NJVYAWGVQIBTKH-DZGCQCFKSA-N 232.371 2.507 0 50 BFAA CC(F)(F)C(C)(C)C(=O)N1CCCCC1 335391313 NHEHZEGVYFCIMI-UHFFFAOYSA-N 219.275 2.680 0 50 BFAA COc1cc(F)ccc1-c1c(C)ncnc1OC 426380162 TUJYZAIKXDDNHX-UHFFFAOYSA-N 248.257 2.608 0 50 BFAA C[C@@H]1CCN(c2ncnc3[nH]ccc23)C[C@H](C)C1 443878389 LXZHMFRVVFINOL-GHMZBOCLSA-N 244.342 2.830 0 50 BFAA CCCCn1ncc(C)c1NC(=O)c1ccoc1 1506427481 LTFUTVTWNGZSEJ-UHFFFAOYSA-N 247.298 2.837 0 50 BFAA COc1ccc(F)c(-c2cnc3cnccn23)c1 2100557112 MWIKYCPSIBBMMB-UHFFFAOYSA-N 243.241 2.544 0 50 BFAA C[C@@H](CCc1ccccc1)NC(=O)C1CC1 375594 PFQYHRVJCPCDJG-NSHDSACASA-N 217.312 2.534 0 50 BFAA Cc1cc(O)c(Br)cc1C 1627095 GJLPLXXEHFEMBL-UHFFFAOYSA-N 201.063 2.772 0 50 BFAA COc1ccc(OC(F)(F)F)cc1C 2540372 UDUQEVKEBPIJJE-UHFFFAOYSA-N 206.163 2.902 0 50 BFAA CC(C)(C)OC(=O)Nc1cccc(CO)c1 2541561 OPMWQSDBBSURGY-UHFFFAOYSA-N 223.272 2.526 0 50 BFAA Nc1ccc2scnc2c1Br 2563955 FBUUMRBJJQXVRE-UHFFFAOYSA-N 229.102 2.641 0 50 BFAA in-vitro CC(C)CCC[C@@H]1CN(C(=O)C(C)C)CCO1 67919766 HBDARNUVIBVIGQ-CYBMUJFWSA-N 241.375 2.696 0 50 BFAA Cc1cc(Br)cc2c1CCC(=O)N2 217116628 WKIHMYKGKJKXOU-UHFFFAOYSA-N 240.100 2.642 0 50 BFAA CC[C@@H]1CCC[C@H](N[C@H]2C[C@H]3CC[C@H]2O3)C1 245339387 SKGGYPQIOWZSTD-XHJNMGKDSA-N 223.360 2.865 0 50 BFAA CCCC[C@@H](C)c1nc(-c2ncccn2)no1 252500490 SWSUONDYMNEXRY-SECBINFHSA-N 232.287 2.820 0 50 BFAA CCC1(C)CCN(Cc2nnc(C)s2)CC1 336119824 QUYVQRVUNKEUNX-UHFFFAOYSA-N 239.388 2.859 0 50 BFAA CSc1ccc(Br)c(C=O)c1 694940881 DSRWGPFPQVOGMB-UHFFFAOYSA-N 231.114 2.984 0 50 BFAA COC(=O)c1nocc1-c1ccc(Cl)cc1 1857529919 JOGIQYJLSPZVNZ-UHFFFAOYSA-N 237.642 2.782 0 50 BFAA O=C(c1c(F)cccc1F)N1CCCCCC1 35195 RRINWFXOXXUQGK-UHFFFAOYSA-N 239.265 2.981 0 50 BFAA CCNC(=O)Nc1ccc(C(C)C)cc1 392913 URHWQWSSDZEEJL-UHFFFAOYSA-N 206.289 2.951 0 50 BFAA CCN(CC)C(=O)c1ccc(C)c(F)c1F 2858283 DSBVNGPNAWYZIK-UHFFFAOYSA-N 227.254 2.755 0 50 BFAA CC(C)CNC(=O)CCSc1ccccc1 2958939 YRHRKHQVZALESQ-UHFFFAOYSA-N 237.368 2.941 0 50 BFAA COc1c(C(=O)O)cnc2cc(Cl)ccc12 4907138 QEXJTULRRRAXCX-UHFFFAOYSA-N 237.642 2.595 0 50 BFAA Cc1cc(C(=O)NC2CCCCC2)c(C)o1 6069853 OYRIKLVYHTWHCZ-UHFFFAOYSA-N 221.300 2.959 0 50 BFAA CCCNC(=O)N[C@@H]1CCCc2ccccc21 6699629 XENCUJFDUJMZFG-CYBMUJFWSA-N 232.327 2.773 0 50 BFAA CCOC(=O)c1ccn(Cc2ccccc2)c1 34342981 KSZAVNAKDOXZGJ-UHFFFAOYSA-N 229.279 2.713 0 50 BFAA in-vitro CC(C)(O)c1cc(Cl)nc(Cl)c1 39613797 LBBHWFKUZYUWNB-UHFFFAOYSA-N 206.072 2.616 0 50 BFAA in-vitro Cc1cc2nc(CCCCC(=O)O)[nH]c2cc1C 40162965 DPCQMRLZFWDYPA-UHFFFAOYSA-N 246.310 2.977 0 50 BFAA O=C(O)[C@]12CC=CC[C@@H]1CCc1ccccc12 44126405 VPIKHFWERATWBS-IUODEOHRSA-N 228.291 2.921 0 50 BFAA CCOc1ccc(-c2c[nH]c(C(=O)OC)c2)cc1 67672902 XBZPDNULVUIYAW-UHFFFAOYSA-N 245.278 2.867 0 50 BFAA CN(C)C(=S)Oc1cccc(C(F)(F)F)c1 71774156 HFUQRRWCWICZFP-UHFFFAOYSA-N 249.257 2.931 0 50 BFAA CC[C@@H]1CCCCCN1C(=O)c1cc(C)on1 155609916 MLOFZGFFLCHQAQ-LLVKDONJSA-N 236.315 2.778 0 50 BFAA OCCc1ccc(OCc2cccc(F)c2)cc1 166178709 SWBKWXHELWTEDR-UHFFFAOYSA-N 246.281 2.940 0 50 BFAA COc1cc(Cl)nc(C(F)(F)F)c1 238340020 OESJTRXHSRTSNU-UHFFFAOYSA-N 211.570 2.762 0 50 BFAA COc1ccc(-c2cn(C)nc2C)cc1F 1250619237 HIJJQDCIJIMIRT-UHFFFAOYSA-N 220.247 2.543 0 50 BFAA CC[C@@H](C)n1nc(C)cc1NC(=O)c1cc[nH]c1 1506424481 COORBPYMDRTSOE-SNVBAGLBSA-N 246.314 2.743 0 50 BFAA C[C@H](Oc1cccc2ccccc12)C(=O)O 73856 KTAVXDDWEGVLRN-VIFPVBQESA-N 216.236 2.692 0 50 BFAA C[C@H](CCN1CCC[C@H](O)C1)c1ccccc1 217866 ZFEWIUIABNUQIW-HIFRSBDPSA-N 233.355 2.637 0 50 BFAA O=C(COc1ccccc1O)c1cccs1 390888 DZRBFVOTYCGWEP-UHFFFAOYSA-N 234.276 2.715 0 50 BFAA CNC(=O)Oc1ccc2ccccc2c1 398393 RLEPUHXXMVRJDI-UHFFFAOYSA-N 201.225 2.558 0 50 BFAA Cc1ccc(CC(=O)Nc2nccs2)cc1 465399 SGIWWPPUHFDHFH-UHFFFAOYSA-N 232.308 2.633 0 50 BFAA Cc1cc(N)nc(COc2cccc(Cl)c2)n1 494944 LVRXZLORZDYDGT-UHFFFAOYSA-N 249.701 2.600 0 50 BFAA O=C(c1csc2c1CCCC2)n1cccn1 1053835 YREXHXNSUMZDHN-UHFFFAOYSA-N 232.308 2.512 0 50 BFAA Cc1cc(Br)cnc1Cl 1726759 YTSKHJMMNFPBBZ-UHFFFAOYSA-N 206.470 2.806 0 50 BFAA CC(C)(C)OC(=O)CCCC(=O)OC(C)(C)C 2170671 FXJKNCDSABKERB-UHFFFAOYSA-N 244.331 2.840 0 50 BFAA Cc1ccccc1CC(=O)NC1CCCCC1 6731230 VXPYBVLJTLQULE-UHFFFAOYSA-N 231.339 2.986 0 50 BFAA CC(C)Cn1cnc2c(=O)oc3ccccc3c21 12382420 IFFJUODAFLMRLJ-UHFFFAOYSA-N 242.278 2.799 0 50 BFAA COC(=O)c1ccccc1-c1ccc(O)cc1 14444238 SYUYIZNZGCNURJ-UHFFFAOYSA-N 228.247 2.846 0 50 BFAA in-vitro CC(C)Oc1cc(OC(C)C)cc(C(=O)O)c1 19908882 JDJUEYKZTTWEOB-UHFFFAOYSA-N 238.283 2.959 0 50 BFAA CN1CCC(Cc2ccc(F)cc2)CC1 32587072 RXTRGKQVEMZDIB-UHFFFAOYSA-N 207.292 2.710 0 50 BFAA CC(C)(C(=O)O)c1cccc(Br)c1 33487185 PZQVCFYGWRPVLE-UHFFFAOYSA-N 243.100 2.811 0 50 BFAA in-vitro Cc1ccc2nc([C@H]3CCCNC3)oc2c1 34924867 XNYGWJNYUFAOLM-JTQLQIEISA-N 216.284 2.603 0 50 BFAA CCc1cc(O)ccc1I 38591687 WCNJZXNVVBMBJW-UHFFFAOYSA-N 248.063 2.559 0 50 BFAA Nc1nc(-c2ccc(C(F)(F)F)cc2)co1 50266320 GIYREBFILVYDQV-UHFFFAOYSA-N 228.173 2.943 0 50 BFAA CNc1cc(Br)cnc1Cl 91351667 DGFFPZUWFKKUAI-UHFFFAOYSA-N 221.485 2.539 0 50 BFAA CSc1ccc(CN[C@@H](C)C[C@H](C)O)cc1 164465050 SVDQYZAAKNTXJE-QWRGUYRKSA-N 239.384 2.658 0 50 BFAA CSc1cc(O)ccc1NC(=O)CC1CC1 170612289 DWQHEACFQCCCKY-UHFFFAOYSA-N 237.324 2.853 0 50 BFAA Cc1ccc2c(c1)nc(CN[C@@H](C)C1CC1)n2C 191503170 ABEYMEJHOZXIEF-NSHDSACASA-N 243.354 2.770 0 50 BFAA Cc1ccc2c(c1)[C@@H]1OCC[C@H]1[C@H](CCCO)N2 201858582 SDLWMEYMPKDXIK-CORIIIEPSA-N 247.338 2.639 0 50 BFAA COc1ccnc(C(F)(F)F)c1Cl 238382443 HLDPQYIPWXPXED-UHFFFAOYSA-N 211.570 2.762 0 50 BFAA Cc1csc(CNc2cncc(F)c2)n1 300970343 WUZVKQHEIWKTMK-UHFFFAOYSA-N 223.276 2.598 0 50 BFAA Cc1n[nH]cc1CN(C)[C@@H]1CCC(C)(C)C1 336496984 BTGSZXVXXLAOAT-GFCCVEGCSA-N 221.348 2.729 0 50 BFAA Cc1ccc(C)c(CN2CCCC[C@H]2CO)c1 247675 JUFMQPZHSMSXRE-HNNXBMFYSA-N 233.355 2.650 0 50 BFAA CCN(CC)C(=O)c1cc(Cl)ccc1OC 450206 DSTYMFIKZQVOKD-UHFFFAOYSA-N 241.718 2.831 0 50 BFAA CCCCNCc1ccc(OC)c(OC)c1 2090470 DDWWSCZOAULJTF-UHFFFAOYSA-N 223.316 2.594 0 50 BFAA biogenic c1c[nH]c([C@H]2CC[C@H](c3ccc[nH]3)N2)c1 2518873 VLQUYRGQWQGYCC-VXGBXAGGSA-N 201.273 2.509 0 50 BFAA O=Cc1cc(OC(F)(F)F)ccc1F 2527809 FMDGCHMPSCBYFX-UHFFFAOYSA-N 208.110 2.537 0 50 BFAA in-vitro FC(F)C(F)(F)c1nc2ccccc2[nH]1 3876610 PMAMJQYTLFLOLC-UHFFFAOYSA-N 218.153 2.920 0 50 BFAA in-vitro C[C@@H]1C[C@H]1C(=O)NCc1ccc(Cl)cc1 12916166 BEYWKICFLRGLEB-LDYMZIIASA-N 223.703 2.612 0 50 BFAA CCOC(=O)C(=O)c1ccc(F)c2ccccc12 43209626 PSBJHMISSXOZTN-UHFFFAOYSA-N 246.237 2.725 0 50 BFAA c1ccc(CSCCCn2ccnn2)cc1 128060437 ZOGWGBUPHOFWGY-UHFFFAOYSA-N 233.340 2.602 0 50 BFAA CCOC(=O)c1ccc2c(c1)OC(C)(C)CC2=O 147878427 PPMNWWGBPDSGMA-UHFFFAOYSA-N 248.278 2.607 0 50 BFAA Cc1cc(C(=O)N(C)[C@@H](C)c2ccccc2)on1 195344843 XZQYOONIFQWNGX-NSHDSACASA-N 244.294 2.816 0 50 BFAA C/C=C(\C)C(=O)Nc1cc(C(=O)O)ccc1C 221724864 YISSFKFLUCKBRA-XBXARRHUSA-N 233.267 2.598 0 50 BFAA C[C@H]1CCC[C@H](CCN2CCC[C@@H]2C(=O)O)C1 237537635 OMAFQQGOPKTRBJ-YNEHKIRRSA-N 239.359 2.752 0 50 BFAA Cc1cccc([C@@H]2CCCN2CCC(=O)O)c1C 237726702 DGTHKSIUIULRJB-AWEZNQCLSA-N 247.338 2.915 0 50 BFAA COc1cc(C=O)cc(Br)c1S 669371954 CILNZPHXWXQMSQ-UHFFFAOYSA-N 247.113 2.559 0 50 BFAA Cc1cc2c[nH]nc2cc1[C@H]1NCCC[C@H]1C 757213886 RKPQHVLPUVLCTO-OTYXRUKQSA-N 229.327 2.932 0 50 BFAA Cc1nnc(N2CC[C@@]3(CCC3(C)C)C2)nc1C 2325799728 UPRPKDLJSWOPGS-AWEZNQCLSA-N 246.358 2.505 0 50 BFAA C[C@H]1CC[C@H](NCc2ccc3c(c2)OCO3)C1 214026 XIPYONXASDNYLO-JQWIXIFHSA-N 233.311 2.694 0 50 BFAA O=C(Nc1ccc2ccccc2c1)c1cnccn1 227875 APRJAJPTHIYMSN-UHFFFAOYSA-N 249.273 2.882 0 50 BFAA C[C@H]1C[C@H](OC(=O)c2ccccc2)CC(C)(C)N1 319776 ZYHGIAPHLSTGMX-AAEUAGOBSA-N 247.338 2.763 0 50 BFAA biogenic,in-vitro COc1ccc(C(C)=O)c2c(O)cccc12 509756 HEGADLSVWOYXFY-UHFFFAOYSA-N 216.236 2.757 0 50 BFAA COc1ccc(C(=O)c2ccccc2)cc1OC 1728424 WCNOATOQNSHEFK-UHFFFAOYSA-N 242.274 2.935 0 50 BFAA in-vitro COCCNC(=O)/C=C/c1ccc(C(C)C)cc1 1777560 SVENMCHNYGSAEJ-RMKNXTFCSA-N 247.338 2.586 0 50 BFAA CSc1ccc(C(=O)CCCC(=O)O)cc1 2378695 YXVDDYAHAFDVIY-UHFFFAOYSA-N 238.308 2.846 0 50 BFAA Cc1ccc(NC(=O)NC(C)(C)C)cc1 2479718 DQWYQAMGQACBKJ-UHFFFAOYSA-N 206.289 2.915 0 50 BFAA Cc1cc(C(=O)Nc2cc(F)ccc2C)no1 2730487 RPZZRIXCFNJWBY-UHFFFAOYSA-N 234.230 2.683 0 50 BFAA Clc1cccc([C@H]2CSCCN2)c1 4253675 VWWOSKABRMUGCB-SNVBAGLBSA-N 213.733 2.718 0 50 BFAA in-vitro CC(C)(Oc1ccc(Cl)cc1Cl)C(N)=O 12381163 PDPLUQJVJZGZQQ-UHFFFAOYSA-N 248.109 2.636 0 50 BFAA CC1=C(Cl)C=C[C@H](C(C)(C)C)C(=O)N1 45028132 AYJRZQOAXIUEHV-QMMMGPOBSA-N 213.708 2.805 0 50 BFAA CC(C)(C)OC(=O)Nc1cccc(F)c1C=O 95635076 IMQRAIIYXDNFTK-UHFFFAOYSA-N 239.246 2.985 0 50 BFAA in-vitro COC(=O)c1cccc(-c2ccsc2)n1 97757027 OZWMJASZSQNSLR-UHFFFAOYSA-N 219.265 2.597 0 50 BFAA CC1(C)[C@H]2C[C@@H]3OB([C@H]4CCCN4)C[C@]3(C)[C@@H]1C2 169974812 AMRYNGFMOIDFBJ-ZHZXCYKASA-N 247.191 2.740 0 50 BFAA COc1ccc(O)c(-c2ccc(C(C)C)nn2)c1 426434779 BLGYRSWIKCWXMP-UHFFFAOYSA-N 244.294 2.981 0 50 BFAA CSCC[C@H](C)NCC(C)(C)N1CCCC1 824896287 XUNLNNHDSMVCNG-LBPRGKRZSA-N 244.448 2.592 0 50 BFAA CC(C)=C=CC(C)(C)CN[C@H](C)c1n[nH]c(C)n1 1775987454 ZUGMIFAYUGFVRE-LLVKDONJSA-N 248.374 2.911 0 50 BFAA CC(=O)c1ccc(C(=O)OC[C@H]2CC[C@@H](C)C2)[nH]1 1875295411 XKCDPWNHIDIYCX-KOLCDFICSA-N 249.310 2.810 0 50 BFAA C[C@H]1C[C@H]1CCCSCC1=NOCC1 2325810102 OMQWQGQVGOLEFS-VHSXEESVSA-N 213.346 2.932 0 50 BFAA Cc1ccccc1-c1cnc2cnccn12 2356135040 MZYIWZWSXSVZAK-UHFFFAOYSA-N 209.252 2.705 0 50 BFAA Nc1ccccc1C(=O)Nc1ccccc1 150129 FDPVTENMNDHFNK-UHFFFAOYSA-N 212.252 2.521 0 50 BFAA in-vitro COC(=O)c1ccc(Br)c(C)c1 157030 GTZTYNPAPQKIIR-UHFFFAOYSA-N 229.073 2.544 0 50 BFAA CN1CCCCc2c([nH]c3ccccc23)C1=O 185843 TVIFHSHOYJWNFW-UHFFFAOYSA-N 228.295 2.576 0 50 BFAA O=C(Nc1ccc(O)cc1)c1ccccc1F 295812 AKKFSDWDYOTCTP-UHFFFAOYSA-N 231.226 2.784 0 50 BFAA CCO[C@]12CCCC[C@@H]1C(=O)N2c1ccccc1 333303 WMQKYGLGFAQUCD-UKRRQHHQSA-N 245.322 2.956 0 50 BFAA CCOC(=O)[C@H](CC)c1ccc(NC(C)=O)cc1 390536 PLCHXGXAYBEKEN-CYBMUJFWSA-N 249.310 2.702 0 50 BFAA CC(C)n1c([C@H](C)N)nc2ccccc21 12484740 DINKAAJNPJWPAK-VIFPVBQESA-N 203.289 2.637 0 50 BFAA in-vitro Cc1ccccc1COC[C@H]1CCCNC1 14631099 KPPKHBKHIMLHIF-ZDUSSCGKSA-N 219.328 2.511 0 50 BFAA in-vitro COC(=O)CCc1cccc(OC(F)(F)F)c1 95080548 LSXMQZOMUYQFLJ-UHFFFAOYSA-N 248.200 2.691 0 50 BFAA O=C(Nc1cccnc1)N1CCC2(CCCC2)C1 175200653 HGUBUMSRHWZJRK-UHFFFAOYSA-N 245.326 2.880 0 50 BFAA C[C@@H]1CCCC[C@@H]1CNCC[C@@H](C)[S@](C)=O 221369021 AQZKKLMLDCRYCP-JXFSHQFZSA-N 245.432 2.559 0 50 BFAA CCc1ccc(CN2CC[C@H]3OCCC[C@H]3C2)o1 245752222 NZIDGMQKDJBCQL-SWLSCSKDSA-N 249.354 2.843 0 50 BFAA COC(=O)[C@@H](C)c1nccc2ccccc12 259914176 GDNKIRVFBHIHMR-VIFPVBQESA-N 215.252 2.511 0 50 BFAA C[C@@H](NC(=O)[C@@H]1CC=CCC1)C(C)(F)F 335471506 RVAVYUUDPXNMFQ-RKDXNWHRSA-N 217.259 2.503 0 50 BFAA CCC(C)(C)NCc1c(F)cncc1F 685946567 SSBJIPSZZVXRLO-UHFFFAOYSA-N 214.259 2.638 0 50 BFAA CCNCc1cc(-c2cnc(C)o2)ccc1F 904797531 YKEXJQXVXAFTAD-UHFFFAOYSA-N 234.274 2.899 0 50 BFAA Cc1ccc([C@H](C)NC(=O)C2CC=CC2)cn1 1857703543 UUHQHVCCKQWLQQ-NSHDSACASA-N 230.311 2.533 0 50 BFAA CSc1ccccc1CN(C)C(=O)C12CC1C2 2325897862 KUPGUERXARNXSO-UHFFFAOYSA-N 247.363 2.777 0 50 BFAA CCOC(=O)CSc1ccc(Cl)cc1 160914 ZXXZYFJTEHVGQY-UHFFFAOYSA-N 230.716 2.995 0 50 BFAA in-vitro CC(=O)c1cc2cc(Cl)ccc2oc1=O 175241 VYMAEQZQRVDKQZ-UHFFFAOYSA-N 222.627 2.649 0 50 BFAA biogenic,in-vitro Cc1noc(C)c1C(=O)Nc1ccccc1F 251915 DIIHNELMMKJAMT-UHFFFAOYSA-N 234.230 2.683 0 50 BFAA CNC(=O)c1sc2ccccc2c1Cl 342743 IPIPFRQNWBMZKL-UHFFFAOYSA-N 225.700 2.914 0 50 BFAA CCCC(=O)c1ccc(NC(C)=O)cc1 2529410 NYUNVUICRAJDLH-UHFFFAOYSA-N 205.257 2.628 0 50 BFAA Cc1nccn1-c1ccc(C(F)(F)F)cn1 4810376 WNGRGSORRQXMGX-UHFFFAOYSA-N 227.189 2.595 0 50 BFAA CCCCONC(=O)Nc1ccccc1 5171647 XRCMMWXIGOXMAY-UHFFFAOYSA-N 208.261 2.540 0 50 BFAA O=C(O)CCCOc1cccc(C(F)(F)F)c1 6678057 BROOMGSHOWKNNX-UHFFFAOYSA-N 248.200 2.949 0 50 BFAA Cc1nnc(S)n1-c1ccccc1Cl 6790247 LUQHKHZFLFXGMZ-UHFFFAOYSA-N 225.704 2.518 0 50 BFAA COc1cccc2cc(/C=C/C(=O)O)oc12 9256939 CUNXGNXQIAHKMK-AATRIKPKSA-N 218.208 2.539 0 50 BFAA in-vitro CCCOc1cccc(NC(=O)C2CC2)c1 9780188 JDUOFCRMKHSEJG-UHFFFAOYSA-N 219.284 2.824 0 50 BFAA CCc1ccc(C(=O)N[C@@H](C)[C@H]2CCCO2)cc1 16604364 NJHCZZOEUKTJAV-SMDDNHRTSA-N 247.338 2.546 0 50 BFAA CC(C)Cn1cnc2c(N)nc3ccccc3c21 19632912 DOUYETYNHWVLEO-UHFFFAOYSA-N 240.310 2.823 0 50 BFAA fda O=C(O)c1c(-c2ccccc2)nn2ccccc12 39320643 RODMDGXKDAYPMU-UHFFFAOYSA-N 238.246 2.700 0 50 BFAA COc1cc(-c2cncc(C(=O)O)c2)ccc1F 65347970 KZNJNHUFTLNHKB-UHFFFAOYSA-N 247.225 2.595 0 50 BFAA in-vitro CN1C(=O)C(C)(C)C(C)(C)c2ccccc21 71773716 ZHQQVANLJMMNGW-UHFFFAOYSA-N 217.312 2.967 0 50 BFAA OCc1cc2cc3c(cc2nc1Cl)CCC3 72446978 FWWFJRZQTHQGBF-UHFFFAOYSA-N 233.698 2.869 0 50 BFAA Nc1cncc(CCOc2ccc(Cl)cc2)c1 91820257 LCVRLWICRDTONG-UHFFFAOYSA-N 248.713 2.939 0 50 BFAA C[C@H]1C[C@@H](C)NC(C)(C)[C@]1(O)c1ccccc1 96026964 RBOMJTWXFDAZJC-YWPYICTPSA-N 233.355 2.671 0 50 BFAA CCc1ccc(NCc2ncc[nH]2)cc1F 125887937 XPEMEFIXOMXJIK-UHFFFAOYSA-N 219.263 2.723 0 50 BFAA Cc1cscc1NC(=O)CC(F)(F)F 151288772 RCVIYTJBIOYCKO-UHFFFAOYSA-N 223.219 2.947 0 50 BFAA CC(C)c1noc([C@H](C)N2C[C@H]3[C@H](C2)C3(C)C)n1 246498818 AYJNNLQROCUWFZ-DCAQKATOSA-N 249.358 2.842 0 50 BFAA CC1(C)CCCC[C@@H]1N[C@H]1C[C@H]2CC[C@H]1O2 251220549 ZMWLHAXKCXJGDR-XQHKEYJVSA-N 223.360 2.865 0 50 BFAA CN(Cc1ccc(Cl)o1)CC1(CO)CCC1 828685766 DQQMFZXRULNVLH-UHFFFAOYSA-N 243.734 2.527 0 50 BFAA C=CC(=O)Nc1cnc(C(F)(F)F)c(C)c1 1262556397 LPOKWXYDAYLHOD-UHFFFAOYSA-N 230.189 2.533 0 50 BFAA C=CC(=O)NCC1(c2ccc(C)cc2C)CC1 1356521050 OTFXSULZJTUPCI-UHFFFAOYSA-N 229.323 2.637 0 50 BFAA CCC[C@H](C)C(=O)Nc1ccccc1C(=O)OC 30888 QIPAFWSZZFDUKG-JTQLQIEISA-N 249.310 2.848 0 50 BFAA CCc1cc(Br)ccc1NC(C)=O 128877 OMNWZCYGIXXMPS-UHFFFAOYSA-N 242.116 2.970 0 50 BFAA in-vitro Cc1nc(-c2ccc(C(=O)O)s2)cs1 158867 AEDWMWQOFJYAGN-UHFFFAOYSA-N 225.294 2.878 0 50 BFAA in-vitro COc1ccc(C(=S)N2CCCC2)cc1C 306470 SXDQMXBGLUHBMN-UHFFFAOYSA-N 235.352 2.775 0 50 BFAA C[C@H]1CCCCN1C(=O)C(Cl)(Cl)Cl 450138 IMYPMKJGSFJCTO-LURJTMIESA-N 244.549 2.758 0 50 BFAA Cc1ccccc1OCCCN1CCCC1 2496989 VVOBSQZGLLASGY-UHFFFAOYSA-N 219.328 2.860 0 50 BFAA COc1cccc(-c2ccc(C=O)cn2)c1 2527547 WQMRWAKAXPUVOH-UHFFFAOYSA-N 213.236 2.570 0 50 BFAA COc1cccc(-c2nc(C=O)cs2)c1 2654063 AZBYGUZCRCHMPF-UHFFFAOYSA-N 219.265 2.631 0 50 BFAA in-vitro CCCCNC(=O)Nc1ccc(F)cc1F 2763944 MVYPMHXHUNNSFM-UHFFFAOYSA-N 228.242 2.886 0 50 BFAA Cc1ccc(C)c(CC[C@@H](C)C(=O)O)c1 5379917 IQQRCAWQIUUADX-LLVKDONJSA-N 206.285 2.957 0 50 BFAA CSc1ccc(C(=O)CCC(C)=O)cc1 12336280 HSJZPSYCLXIRPN-UHFFFAOYSA-N 222.309 2.960 0 50 BFAA CCCc1cc([C@H]2CCCCCN2)no1 19525398 VLRWTWPJFQJSJS-LLVKDONJSA-N 208.305 2.832 0 50 BFAA C[C@@H](CCCC(C)(C)O)NC(=O)c1ccccc1 38869553 SIKLNRKYQTZWLZ-LBPRGKRZSA-N 249.354 2.746 0 50 BFAA Nc1ccc(-c2cc(F)cc(F)c2)cn1 41214475 PGNMGBYVHYFYBX-UHFFFAOYSA-N 206.195 2.609 0 50 BFAA in-vitro O=C(O)c1cc2ccc(Cl)cc2cn1 66054646 HIXONRGTPXMCCP-UHFFFAOYSA-N 207.616 2.586 0 50 BFAA in-vitro CCOC(=O)c1cccc2[nH]c(C)c(C)c12 66324216 VVRLKZYNHIHXGT-UHFFFAOYSA-N 217.268 2.961 0 50 BFAA CCC(=O)[C@](C)(CCN(C)C)c1ccccc1 96026403 CUASRJPXHLAQCG-OAHLLOKOSA-N 233.355 2.875 0 50 BFAA COc1ccc2[nH]c3c(c2c1)CCN=C3C 100039598 HMBHRMFLDKKSCT-UHFFFAOYSA-N 214.268 2.542 0 50 BFAA in-vitro Cc1cc(CN(Cc2ccncc2)C2CC2)on1 215335604 JVWQXBDGBQYALW-UHFFFAOYSA-N 243.310 2.543 0 50 BFAA C[C@@H]1c2ccsc2CCN1C(=O)[C@H]1CC12CC2 334999764 MEJZCECMFAPTOU-MWLCHTKSSA-N 247.363 2.994 0 50 BFAA O=C(N[C@H]1C=CCCC1)C1Cc2ccccc2C1 336293712 UJSINBXEIMNFRL-HNNXBMFYSA-N 241.334 2.626 0 50 BFAA COc1cccc(CN(C)CC[C@@H]2CCOC2)c1 437583715 QCJLQOPIHQTZQI-CYBMUJFWSA-N 249.354 2.554 0 50 BFAA ClC(Cl)(Cl)c1nc(CC2CC2)no1 526056100 USAXIUIOFFXSKG-UHFFFAOYSA-N 241.505 2.849 0 50 BFAA Cc1n[nH]c(C)c1-c1ccc2ccnc(O)c2c1 534645356 DJUHLEKXWQVXHV-UHFFFAOYSA-N 239.278 2.947 0 50 BFAA O=C(c1cncs1)N1CCC2(CCCC2)C1 584890907 WTNROTXQRGCLPQ-UHFFFAOYSA-N 236.340 2.549 0 50 BFAA CCSCCSCc1ccnc(O)c1 585118884 GTQLALYFEVTXIA-UHFFFAOYSA-N 229.370 2.774 0 50 BFAA Cc1conc1CNc1nc(C(C)C)ns1 708289386 LHCGQIUYDYXARK-UHFFFAOYSA-N 238.316 2.570 0 50 BFAA CC(C)(C)[C@H]1CCc2sc(N)nc2C1 1775965230 OVFRQIVIESEYCH-ZETCQYMHSA-N 210.346 2.876 0 50 BFAA C=CC(=O)Nc1cnc(CCCC)cc1C 1875367361 NKLRTJDHDXXDCF-UHFFFAOYSA-N 218.300 2.857 0 50 BFAA COc1ccc(NC(=O)c2ccccc2N)cc1 290998 VOUMPTOODFUGMO-UHFFFAOYSA-N 242.278 2.530 0 50 BFAA CC(=O)Nc1cccc(Cl)c1Cl 361858 URQALMDQINOOPO-UHFFFAOYSA-N 204.056 2.952 0 50 BFAA biogenic O=C(NC1CCCCC1)c1noc2c1CCCC2 426315 YSZABPVJMGGLLD-UHFFFAOYSA-N 248.326 2.616 0 50 BFAA CC(C)CC(=O)NC(=S)Nc1ccccc1 455680 CXHQGLQUDWQZBH-UHFFFAOYSA-N 236.340 2.546 0 50 BFAA O=CC(=O)c1ccc(Oc2ccccc2)cc1 1569637 RCMGUDDPKUIMTI-UHFFFAOYSA-N 226.231 2.861 0 50 BFAA CCOCCOC(=O)Nc1cc(C)ccc1C 2172102 AVNZSOIVKOOSRE-UHFFFAOYSA-N 237.299 2.888 0 50 BFAA Cc1ccc(C(=O)O)cc1C(F)(F)F 2382294 CAPKAYDTKWGFQB-UHFFFAOYSA-N 204.147 2.712 0 50 BFAA in-vitro COc1cc(Cl)cc2cc(C(=O)O)oc12 2506905 SJIWXWCGQMFLNE-UHFFFAOYSA-N 226.615 2.793 0 50 BFAA Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1 13556356 AEALBFAUDNCOAC-UHFFFAOYSA-N 236.278 2.721 0 50 BFAA NC(=S)CCCc1c[nH]c2ccccc12 18279420 QJOQSAMYQIHILJ-UHFFFAOYSA-N 218.325 2.777 0 50 BFAA biogenic C[C@H](CCN(C)CCN(C)C)c1ccccc1 19633207 KZTXXBYVLJMVOU-CQSZACIVSA-N 234.387 2.674 0 50 BFAA CCN1CCC[C@@H]1CNCc1ccc(C)s1 22936121 IQROTUPDKRCCDP-GFCCVEGCSA-N 238.400 2.630 0 50 BFAA CSc1nccc(NCc2cccc(C)n2)n1 32513794 QVXPGEMAGJQTDQ-UHFFFAOYSA-N 246.339 2.514 0 50 BFAA CC[C@H](N)c1cccc(Br)c1 35053760 MDAOMTRNTRIGOV-VIFPVBQESA-N 214.106 2.859 0 50 BFAA N[C@@H]1CCc2c(OC(F)(F)F)cccc21 42405107 IKXWTQGGDSQKNS-MRVPVSSYSA-N 217.190 2.531 0 50 BFAA Brc1ccnn1C1CCCC1 82370620 XDXXFUIHPOQJAS-UHFFFAOYSA-N 215.094 2.761 0 50 BFAA COc1ccc(OC)c2c1[C@@H]1[C@H]3[C@H]4C=C[C@H]4[C@@H]2[C@@H]31 104286219 HAIGLKKQMUZVAS-FFWJFBFQSA-N 240.302 2.946 0 50 BFAA CC1(C)[C@H]2CC[C@@]1(C)[C@@H](SC(=N)N)C2 105038990 FZEFQGSAQNAPBA-LAEOZQHASA-N 212.362 2.828 0 50 BFAA Cc1nscc1C(=O)N1CCC[C@@H](C)CC1 179680961 DCIZGBZMXFTBBZ-SECBINFHSA-N 238.356 2.714 0 50 BFAA CCCc1ccc(CN(C)Cc2cnn(C)c2)o1 215950215 GEQKBJNWKLFKAE-UHFFFAOYSA-N 247.342 2.598 0 50 BFAA Cc1nc(C)n(CC2CCC(F)(F)CC2)n1 335664624 UWEJULGOTAPCFZ-UHFFFAOYSA-N 229.274 2.720 0 50 BFAA CC1(C)CC[C@H](N2CCC(c3nc[nH]n3)CC2)C1 364864731 UTHJBSRMXZYMAN-LBPRGKRZSA-N 248.374 2.563 0 50 BFAA C=CC(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 848979135 FUJBPJDTSHGDLY-RKDXNWHRSA-N 235.249 2.657 0 50 BFAA COC(=O)c1cc2c(s1)CCCCC2 4088376 PLQMUBVWWLPTGG-UHFFFAOYSA-N 210.298 2.804 0 50 BFAA CC[C@H](C)NC(=O)[C@@H]1C[C@@H]1c1ccccc1 4612211 LUMDRWWSKDYVFI-CYZMBNFOSA-N 217.312 2.705 0 50 BFAA CN(C)C[C@@H]1C[C@H](C(C)(C)C)CCC1=O 4808550 GBQVZNKFIVRWDH-WDEREUQCSA-N 211.349 2.580 0 50 BFAA O=S1c2ccccc2Cc2ccccc21 13606083 PKICNJBYRWRABI-UHFFFAOYSA-N 214.289 2.758 0 50 BFAA CC1(C)[C@H](O)CC[C@]2(C)[C@@H](O)CCC[C@@]12C 25626112 RRFARTUDYDSMBW-WVWOOGAGSA-N 226.360 2.725 0 50 BFAA CCc1cnn2c(Cl)cc(Cl)nc12 30678380 QFSOXHZZXZVMHY-UHFFFAOYSA-N 216.071 2.599 0 50 BFAA in-vitro N[C@@H](CNc1ccccc1)c1ccccc1 40397846 ZORMNFOQTHQKTD-AWEZNQCLSA-N 212.296 2.799 0 50 BFAA in-vitro O[C@@H]1CCCOc2ccc(Br)cc21 62620986 QGEPJFQBBYSBQE-SECBINFHSA-N 243.100 2.655 0 50 BFAA NC[C@H](c1ccc(F)cc1)N1CCCCCC1 83426017 RWUVPSINUTZQTN-CQSZACIVSA-N 236.334 2.702 0 50 BFAA Cc1c(O)ccc(Br)c1F 95929143 BOINEAWTTLAFEN-UHFFFAOYSA-N 205.026 2.602 0 50 BFAA in-vitro O=C1O[C@@H](C(=O)c2ccccc2)c2ccccc21 96334549 VFYWJHQGTBBWGY-CQSZACIVSA-N 238.242 2.781 0 50 BFAA O=C(O)c1ccncc1Oc1ccc(F)cc1 123635173 SMIMLVZWSMNFOL-UHFFFAOYSA-N 233.198 2.711 0 50 BFAA CCN1CC[C@@H](NCCc2ccccc2)[C@@H](C)C1 222107545 BNVNLKYMMXQHAV-GOEBONIOSA-N 246.398 2.549 0 50 BFAA Cc1cnccc1CN(C)C(=O)[C@@H]1CC=CCC1 222787304 ACVDURQKXLFPME-CYBMUJFWSA-N 244.338 2.705 0 50 BFAA COc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 238400408 RLPRJHLDNXWKQA-UHFFFAOYSA-N 249.310 2.946 0 50 BFAA CC[C@@H](O)CN1C[C@@]2(C)C[C@H]1CC(C)(C)C2 239433202 XIXPVYLUIZUNDK-BZPMIXESSA-N 225.376 2.658 0 50 BFAA CCc1cccc(CNc2cc(C)nc(N)n2)c1 845732072 MTZBQNVWVUBGGZ-UHFFFAOYSA-N 242.326 2.542 0 50 BFAA C=CC(=O)Nc1nc(C)c(CC(C)C)s1 1775997226 CJBNTJXNJVVIJJ-UHFFFAOYSA-N 224.329 2.775 0 50 BFAA Cc1ccccc1NC(=S)NC(=O)C1CCC1 1775997937 VMLFJPOZHRIIHY-UHFFFAOYSA-N 248.351 2.608 0 50 BFAA CC[C@@H](C)c1nc(O)cc(CC2CC2)n1 1776004086 NIRLBMIIIPBXCI-MRVPVSSYSA-N 206.289 2.648 0 50 BFAA CCC(=O)N(c1ccc(C(=O)O)cc1)C(C)C 1857796345 OIEFYDPDLUJXQS-UHFFFAOYSA-N 235.283 2.536 0 50 BFAA COc1cnc(C)cc1-c1cccnc1N(C)C 1875240815 GIFATKASTXYCLA-UHFFFAOYSA-N 243.310 2.527 0 50 BFAA c1cn([C@H]2CCSC2)c(-c2cncs2)n1 1875251280 VJTJGLDKRANSCF-QMMMGPOBSA-N 237.353 2.685 0 50 BFAA C=CC(=O)N[C@H](CCC(C)(C)C)c1ccn(C)n1 1875375959 KNZMCDRZTHHWAH-LLVKDONJSA-N 249.358 2.590 0 50 BFAA Cc1ccc2c(-c3ccnn3C)cccc2n1 2356142396 QHOOPIYZFJYBSC-UHFFFAOYSA-N 223.279 2.944 0 50 BFAA CCn1c(C)nnc1SCc1ccccc1 34367 JIXLCERIEWBUDS-UHFFFAOYSA-N 233.340 2.899 0 50 BFAA O=C(Nc1ccccc1F)NC1CCCC1 399272 HGTZGIHYCXESGV-UHFFFAOYSA-N 222.263 2.890 0 50 BFAA O=C(Nc1ccccc1CO)c1ccc(F)cc1 446480 NKDIYTVCXAIBCV-UHFFFAOYSA-N 245.253 2.570 0 50 BFAA CCOC(=O)c1oc2ccccc2c1C 978290 FBWZJJPGVQYUIN-UHFFFAOYSA-N 204.225 2.918 0 50 BFAA in-vitro CC(=O)c1ccc(Br)c(C)c1 1598662 QRTFRIPKQPOIPI-UHFFFAOYSA-N 213.074 2.960 0 50 BFAA in-vitro CCc1ccc(C(=O)NCc2ccco2)cc1 2872651 XWEJMKFLDYBVAW-UHFFFAOYSA-N 229.279 2.772 0 50 BFAA C[C@@H](CC(=O)O)C(=O)c1ccc(Cl)cc1 5051385 SSAOBKRLGFAMTI-ZETCQYMHSA-N 226.659 2.634 0 50 BFAA in-vitro CC(C)Cc1cc(C(=O)O)nn1-c1ccccc1 11729623 KXPRFBKERNQEQM-UHFFFAOYSA-N 244.294 2.769 0 50 BFAA NCc1ccc(CN2CCCCCCC2)cc1 20265141 RESTYGSNCURODW-UHFFFAOYSA-N 232.371 2.911 0 50 BFAA in-vitro N[C@@H](C1CCCCC1)[C@@H](N)C1CCCCC1 23473091 QMYUCDBIJSSHEP-KBPBESRZSA-N 224.392 2.802 0 50 BFAA in-vitro O=Cc1c(F)cc(C(F)(F)F)cc1F 40571362 SEBPODPGYAOCAN-UHFFFAOYSA-N 210.101 2.796 0 50 BFAA in-vitro O=C1CC[C@@]2(CCCC[C@@H]2c2ccccc2)N1 44124794 SNDDYBGPSCGBOE-UKRRQHHQSA-N 229.323 2.993 0 50 BFAA COC(=O)c1cc(F)ccc1C(F)(F)F 44199561 KGDQMNVZZNCLBF-UHFFFAOYSA-N 222.137 2.631 0 50 BFAA CC(C)C(=O)N[C@H](C)c1ccc(F)cc1 49930139 OYLHTMSRAMBCGA-SECBINFHSA-N 209.264 2.659 0 50 BFAA CN(CCCc1ccccc1)Cc1cnccn1 80966914 UVYXFXLBWFQFOX-UHFFFAOYSA-N 241.338 2.541 0 50 BFAA O=C(O)c1cc(-c2cccc(Cl)c2F)no1 126478960 STLINEMAHUDACO-UHFFFAOYSA-N 241.605 2.832 0 50 BFAA in-vitro O=C(O)/C=C/c1cc2c(cn1)[nH]c1ccccc12 143112088 IRCDBVQFANGJAX-AATRIKPKSA-N 238.246 2.814 0 50 BFAA Cc1ccc(NC(=O)c2ccc(F)cn2)cc1F 181380574 BJILRQRXPLGICJ-UHFFFAOYSA-N 248.232 2.921 0 50 BFAA Cc1nc(CO[C@H]2CCCc3c[nH]nc32)oc1C 188930842 QEJZYKDKSMCAFC-NSHDSACASA-N 247.298 2.609 0 50 BFAA Fc1cc(C(F)(F)F)ccc1[C@H]1CCNC1 212916555 CDNBHJWSAGHHFC-ZETCQYMHSA-N 233.208 2.921 0 50 BFAA CN(C)c1cc(Cl)cc(Cl)c1C=O 238854670 OUGIHRDVCSBNIV-UHFFFAOYSA-N 218.083 2.872 0 50 BFAA in-vitro CCCc1nccn1Cc1nc(C(C)(C)C)no1 270083560 ATBBTGMNFOFZFD-UHFFFAOYSA-N 248.330 2.564 0 50 BFAA Oc1cccc(-c2ocnc2CC2CC2)c1 2356163833 SQRBNUJSLSWKGX-UHFFFAOYSA-N 215.252 3.000 0 50 BFAA O=C(O)c1ccc(F)c(C(F)(F)F)c1 57041 WZBPZYCJUADXRS-UHFFFAOYSA-N 208.110 2.543 0 50 BFAA in-vitro CCOc1ccccc1-c1csc(N)n1 150885 OVOLGSRVNCMOCY-UHFFFAOYSA-N 220.297 2.791 0 50 BFAA in-vitro CN(CCc1ccccn1)Cc1ccccc1 271478 VUDNVKSIJJWIOP-UHFFFAOYSA-N 226.323 2.756 0 50 BFAA Nc1cnc2ccccc2c1Br 331157 GZIQGMJOGFFTOO-UHFFFAOYSA-N 223.073 2.580 0 50 BFAA in-vitro COC(=O)c1ccccc1-c1ccccc1C=O 1570747 RGAKSWUMKFLWCI-UHFFFAOYSA-N 240.258 2.953 0 50 BFAA Cc1ccc2[nH]c(C)c(CCC(=O)O)c2c1 1995739 OXLKRUQISCGSMH-UHFFFAOYSA-N 217.268 2.802 0 50 BFAA CCOC(=O)c1c(-c2ccccc2)noc1C 2004362 WFAYOALRVTWYQB-UHFFFAOYSA-N 231.251 2.827 0 50 BFAA in-vitro FC(F)(F)c1cccnc1Br 2526212 OFGSIPQYQUVVPL-UHFFFAOYSA-N 225.995 2.863 0 50 BFAA in-vitro CCOC(=O)[C@@H](C)Oc1ccc(C)c(C)c1 2549397 XLOKDICDLAYRMD-LLVKDONJSA-N 222.284 2.634 0 50 BFAA CC(C)(C)NCCOc1ccccc1F 2933483 JVXZLMLQUIKSES-UHFFFAOYSA-N 211.280 2.593 0 50 BFAA Cc1ccccc1OCCCNC[C@H]1CCCO1 2947015 KIQJYJMBVNPISL-CQSZACIVSA-N 249.354 2.533 0 50 BFAA O=C1CCCc2ccc(Br)cc21 4287549 YGVDCGFUUUJCDF-UHFFFAOYSA-N 225.085 2.968 0 50 BFAA in-vitro Cc1ccc(C)c(OCC(=O)NC(C)(C)C)c1 4313736 SXQSZCSIJYUEJX-UHFFFAOYSA-N 235.327 2.597 0 50 BFAA O=[S@](NC1CCCCC1)c1ccccc1 5490230 ZTOMSORUDLSEGQ-OAHLLOKOSA-N 223.341 2.632 0 50 BFAA CCC[n+]1ccc(-c2cc[n+](CCC)cc2)cc1 5649491 ZEBGBBHACLKGGZ-UHFFFAOYSA-N 242.366 2.749 0 50 BFAA O=c1[nH]cnc2cc(-c3ccccc3)sc12 8666590 XSAILWORLBSSMS-UHFFFAOYSA-N 228.276 2.652 0 50 BFAA in-vitro Brc1ccnc2ccccc12 8700531 SUXIPCHEUMEUSV-UHFFFAOYSA-N 208.058 2.997 0 50 BFAA CC(C)(N)c1cccc(C(F)(F)F)c1 33487307 YEGWNHBRMASMGR-UHFFFAOYSA-N 203.207 2.899 0 50 BFAA in-vitro Clc1ccc(-n2cccc2-c2ncc[nH]2)nc1 67726654 UOATUEMJDFLHPJ-UHFFFAOYSA-N 244.685 2.916 0 50 BFAA CC[C@@H](c1ccccn1)N(C)Cc1coc(C)n1 67774813 NCWDSCIQYDXUOF-AWEZNQCLSA-N 245.326 2.961 0 50 BFAA CCCCCS(=O)(=O)C1CCCCC1 191049518 WNGCHDHVSRURJH-UHFFFAOYSA-N 218.362 2.924 0 50 BFAA CC(C)=CCC/C(C)=C/CNc1ncncn1 223691583 ZJGYMZQMNSTXBO-KPKJPENVSA-N 232.331 2.976 0 50 BFAA CC[C@H](Oc1cccc2c1CCCC2)C(=O)O 226096351 XHEBUTDBGWOAQC-LBPRGKRZSA-N 234.295 2.807 0 50 BFAA O=C(O)CCN1CCC[C@@H]1CC1CCCCC1 238160312 TVHQFCXFEQREKM-CYBMUJFWSA-N 239.359 2.896 0 50 BFAA CC[C@H](NC)C(=O)c1ccc(C(F)F)cc1 701186068 ZPRPCZPCGCUDAH-JTQLQIEISA-N 227.254 2.805 0 50 BFAA CC(C)c1c(Cl)nc2c(F)cccn2c1=O 725244005 CMTJJBBBDUWYJE-UHFFFAOYSA-N 240.665 2.610 0 50 BFAA C=CC(=O)NCc1c(C)oc2ccccc12 863970409 IMDPWMRKBGMUFY-UHFFFAOYSA-N 215.252 2.543 0 50 BFAA COC(=O)c1c(N)ccc(-c2ccccc2)c1F 953034294 NGCZWPXENJAZHK-UHFFFAOYSA-N 245.253 2.862 0 50 BFAA O=C(NC1CCC1)c1cc2cccnc2cc1F 2325761967 OJQDYROCUDKVTJ-UHFFFAOYSA-N 244.269 2.656 0 50 BFAA CC[C@@]1(C)OC(=O)N(c2ccc(C)cc2)[C@]1(C)O 62826 XMWMXPJLPCRTIY-ZIAGYGMSSA-N 249.310 2.829 0 50 BFAA CC(=O)c1ccc2[nH]c3c(c2c1)CCCC3=O 97274 SAVUIJLZGYGDSF-UHFFFAOYSA-N 227.263 2.890 0 50 BFAA biogenic Cc1cccc(NC2=NC[C@@H](C)S2)c1 134999 NBNOKMADYAZRNP-SECBINFHSA-N 206.314 2.898 0 50 BFAA in-vitro Cc1cc2nc(C)c(-c3ccccc3)c(N)n2n1 204973 UITLYEVZEXSXKR-UHFFFAOYSA-N 238.294 2.595 0 50 BFAA CCOc1ccc(C=O)cc1Br 1410688 TZUUPGZANQRCHD-UHFFFAOYSA-N 229.073 2.660 0 50 BFAA in-vitro CCc1cccc(C)c1NC(=O)OCCOC 2172105 AXJUFNUPSRTVNX-UHFFFAOYSA-N 237.299 2.752 0 50 BFAA Cc1ccccc1O[C@@H](C)c1nnc(S)n1C 2522213 OKBATRZDTGFJBZ-VIFPVBQESA-N 249.339 2.552 0 50 BFAA in-vitro O=C(O)c1[nH]nc2cc(-c3cccs3)ccc12 2547930 DIDOERKUAPXZKL-UHFFFAOYSA-N 244.275 2.990 0 50 BFAA O=C(O)c1cc(F)c(F)c(C(F)(F)F)c1 2560153 CKUNRJPLPRCMCL-UHFFFAOYSA-N 226.100 2.682 0 50 BFAA in-vitro CC(C)Cn1c(=S)[nH]c2ccccc2c1=O 3245255 RFGUKOKQKYFARZ-UHFFFAOYSA-N 234.324 2.715 0 50 BFAA in-vitro O=C(NCc1ccccc1Cl)C1CCC1 13327458 ZANODMPTHPFOPT-UHFFFAOYSA-N 223.703 2.756 0 50 BFAA O=[N+]([O-])/C=C\c1ccccc1Br 17001713 QKFDNZXJABSGIO-WAYWQWQTSA-N 228.045 2.697 0 50 BFAA Clc1ccnc2[nH]cc(Br)c12 19046141 QLGXTRWCWHBPDP-UHFFFAOYSA-N 231.480 2.979 0 50 BFAA in-vitro CSc1ccc(CC(=O)O)cc1Cl 37594129 RUUPIFBYMDGMPN-UHFFFAOYSA-N 216.689 2.689 0 50 BFAA CCOC(=O)[C@@H]1CCCCCCCCC1=O 39250364 VBWUFKFOEMFRHF-LLVKDONJSA-N 226.316 2.869 0 50 BFAA Cc1ccc2c(c1)c1c3n2CNC[C@@H]3CCC1 49580857 FSIGALZTPGKSDE-NSHDSACASA-N 226.323 2.930 0 50 BFAA O=C(O)c1ccc2ccnc(Cl)c2c1 63772308 YGEAVRLLVLRDFR-UHFFFAOYSA-N 207.616 2.586 0 50 BFAA CC[C@@H](C)NC(=O)Cc1cccc(Cl)c1 67785617 WMBFQCVJRJCEAX-SECBINFHSA-N 225.719 2.797 0 50 BFAA CC[C@@H](C)Nc1cc(C(F)(F)F)n[nH]1 79387540 NCNVEASFNOBBTN-RXMQYKEDSA-N 207.199 2.639 0 50 BFAA CCCc1nc(C)c(CNc2ncccn2)s1 91468851 NAHDLQAXEUFXQU-UHFFFAOYSA-N 248.355 2.806 0 50 BFAA Cc1cc([C@@H]2CCCN2Cc2nccs2)no1 97713455 AGXKADARCIQJDN-NSHDSACASA-N 249.339 2.777 0 50 BFAA NC[C@@H](F)c1ccc(Cl)cc1Cl 116549490 YMHASCSYQOHBLS-MRVPVSSYSA-N 208.063 2.963 0 50 BFAA Fc1cc2oc(S)nc2c(F)c1F 116893465 RRJGVSDIWUVLAF-UHFFFAOYSA-N 205.160 2.534 0 50 BFAA Cc1ccc(CNc2nnc(-c3ccco3)o2)o1 134422454 LUDKTDILCGFVOZ-UHFFFAOYSA-N 245.238 2.843 0 50 BFAA Nc1cc(C(F)(F)F)c(Cl)cc1C(=O)O 143351778 ISMKBIUDCNWZND-UHFFFAOYSA-N 239.580 2.639 0 50 BFAA N[C@@H](c1cccnc1C(F)(F)F)C1CC1 166567051 GRCFUAJTIBIKEP-MRVPVSSYSA-N 216.206 2.510 0 50 BFAA Cc1cc(Br)cc(CN(C)C)c1 230549031 ACPQFGIKDLDPGD-UHFFFAOYSA-N 228.133 2.819 0 50 BFAA CCOC(=O)CC1(NCc2ccccc2)CCC1 259863360 AMSWIMSSZHYILM-UHFFFAOYSA-N 247.338 2.652 0 50 BFAA in-vitro Cc1ccc(-c2c(C)sc(=N)n2C)cc1 334157439 UIAXZDUCGIGCEQ-UHFFFAOYSA-N 218.325 2.850 0 50 BFAA CCc1nc(-c2ccc(OC(C)C)cc2)nn1C 426684550 SKPBAGVSQCNHQU-UHFFFAOYSA-N 245.326 2.832 0 50 BFAA O=C(Nc1cnsc1)c1ccoc1C1CC1 585125255 LIUHCDJSXLAJIV-UHFFFAOYSA-N 234.280 2.866 0 50 BFAA CCC[C@H](C)NCc1cccn2ccnc12 1615586091 IBLWRJHIQQOOAT-NSHDSACASA-N 217.316 2.613 0 50 BFAA O=C(O)c1c(C(F)F)nc2ccc(Cl)cn12 1857781935 OXZKHIIHZAKHKY-UHFFFAOYSA-N 246.600 2.624 0 50 BFAA Cc1cc2[nH]c(=N)[nH]c2cc1/C=C/C1CC1 1875319472 DNBCIXGGWJGAPB-SNAWJCMRSA-N 213.284 2.707 0 50 BFAA O=C1N[C@@H](c2ccccc2)[C@H](c2ccccc2)N1 61498 MLAJDFOBMYBISF-KBPBESRZSA-N 238.290 2.782 0 50 BFAA CC[C@H](C)NC(=O)c1cccc(Cl)c1 126190 OLOWHVKHONPEBQ-QMMMGPOBSA-N 211.692 2.868 0 50 BFAA CCCn1c([C@@H](C)NC(C)=O)nc2ccccc21 200768 ZEDJFKILWLXIBZ-SNVBAGLBSA-N 245.326 2.643 0 50 BFAA O=C(NC1CCCC1)c1ccc2ccccc2n1 315079 WDGOALQBMNGQGR-UHFFFAOYSA-N 240.306 2.907 0 50 BFAA CCc1ccc(OCC(=O)NC(C)(C)C)cc1 317512 HNCAMMDXUMSIQX-UHFFFAOYSA-N 235.327 2.543 0 50 BFAA O=C(Nc1cccc2ncccc12)c1cccnc1 556491 OLVQCHMCFCRHSB-UHFFFAOYSA-N 249.273 2.882 0 50 BFAA CCCCC(=O)NC(=O)Nc1ccccc1 2167120 PYNVVJNPBFKWHY-UHFFFAOYSA-N 220.272 2.525 0 50 BFAA COc1ccccc1NCC(F)(F)F 7989015 UEHTVWWJHJAJEG-UHFFFAOYSA-N 205.179 2.669 0 50 BFAA in-vitro FC(F)(F)c1cccc(NC[C@H]2CCCN2)c1 12404718 YPRUEIMHBIBQLC-LLVKDONJSA-N 244.260 2.869 0 50 BFAA in-vitro Cc1ccc(Br)c2nsnc12 22004548 MZFRKYXVQYNOFA-UHFFFAOYSA-N 229.102 2.762 0 50 BFAA in-vitro c1ccc(C2(c3ccccc3)NCCCO2)cc1 22238460 WPFCJQKRMSTBJT-UHFFFAOYSA-N 239.318 2.898 0 50 BFAA Cc1nc(C(=O)N[C@@H](C)c2ccc(F)cc2)co1 22538590 PQBKRILOZCOXJY-QMMMGPOBSA-N 248.257 2.613 0 50 BFAA c1ccc(-c2c[nH]nc2[C@@H]2CCCNC2)cc1 67649468 AUBLNMKFRQYYDM-GFCCVEGCSA-N 227.311 2.544 0 50 BFAA CCN[C@H](C)Cc1ccc2occc2c1 96032886 ZBZDDOARNPAMSP-SNVBAGLBSA-N 203.285 2.973 0 50 BFAA in-vitro Cc1ccc([S@]2(=O)=N[C@H](C(C)C)CO2)cc1 100047553 QCNBRUOJSNBOIE-BLLLJJGKSA-N 239.340 2.792 0 50 BFAA CCOC(=O)c1cc2scc(C)c2[nH]1 115643467 IVTSDPODKGCTGY-UHFFFAOYSA-N 209.270 2.715 0 50 BFAA O=C(c1cccc2c1CCCC2)N1CC2(CC2)C1 334827091 BXLUXRJMZOUNGX-UHFFFAOYSA-N 241.334 2.801 0 50 BFAA N=c1cc[nH]c2c(-c3ccncc3)cccc12 952972638 UHJOCWBABPIPBG-UHFFFAOYSA-N 221.263 2.709 0 50 BFAA CCc1cc(F)cc2[nH]c(C(=O)OC)cc12 1857781006 BAZKFYRJUVSNGK-UHFFFAOYSA-N 221.231 2.656 0 50 BFAA Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3O 178917 YYBPWZOWPCHCIR-GFCCVEGCSA-N 201.269 2.846 0 50 BFAA biogenic COc1ccccc1/C=C/C1=CCN(C)CC1 198116 DOFNQOJRULZKPF-BQYQJAHWSA-N 229.323 2.970 0 50 BFAA CCc1ccccc1NC(=O)NC1CC1 397727 UONZTMYMSIMVMF-UHFFFAOYSA-N 204.273 2.533 0 50 BFAA CC(C)(C)C(=O)C[C@](C)(O)c1ccccc1 436885 MJVVTTZERBQOJR-AWEZNQCLSA-N 220.312 2.899 0 50 BFAA CC1CCN(C(=O)c2cccnc2Cl)CC1 480126 KOHQTMKPQJEEMF-UHFFFAOYSA-N 238.718 2.607 0 50 BFAA Cc1cccc(C)c1I 1699885 QTUGGVBKWIYQSS-UHFFFAOYSA-N 232.064 2.908 0 50 BFAA in-vitro CCCCOC(=O)Nc1ccccc1C(=O)O 1770651 ZQXZXAUTUQETOK-UHFFFAOYSA-N 237.255 2.733 0 50 BFAA O=C(O)/C=C/c1cc(F)cc(C(F)(F)F)c1 2560190 BALLIUNVQMPIFI-OWOJBTEDSA-N 234.148 2.942 0 50 BFAA in-vitro COc1cc(F)cc(Br)c1 14628931 XVNQVSGOIUYOPB-UHFFFAOYSA-N 205.026 2.597 0 50 BFAA in-vitro Cn1c([C@@H]2C[C@@H]2c2ccccc2)n[nH]c1=S 15933418 DHIIASXOBAVUMS-NXEZZACHSA-N 231.324 2.749 0 50 BFAA CC(C)(C)OC(=O)N1CCc2cc(O)ccc2C1 16697226 IVHHZZKGSYGTKZ-UHFFFAOYSA-N 249.310 2.685 0 50 BFAA COCCCn1cnc2cc(Cl)ccc21 40402739 BXMCIJLAMSQJRF-UHFFFAOYSA-N 224.691 2.726 0 50 BFAA C/C=C(\C)c1nc2ccc(C(=O)O)cc2[nH]1 67642284 AQMMWXBTWXHHET-XVNBXDOJSA-N 216.240 2.684 0 50 BFAA N[C@@H]1CCc2c1cccc2C(F)(F)F 75759700 PRXYRXUXPMGIBU-SECBINFHSA-N 201.191 2.651 0 50 BFAA O=[S@@](O)c1ccc(Cl)cc1C(F)(F)F 125976869 CGJOOJQWEJYLFK-UHFFFAOYSA-N 244.621 2.939 0 50 BFAA CCOC[C@@H](C)Nc1ccc(Cl)nc1C 193481071 KXCUDYFYIHXIGK-MRVPVSSYSA-N 228.723 2.880 0 50 BFAA COc1ccc([C@@H](CC(=O)O)C(F)F)cc1 258313652 FFVSOVOUZTUIQN-SECBINFHSA-N 230.210 2.519 0 50 BFAA C[C@@]1(c2ccc(C(=O)O)cc2)CC1(F)F 757122894 ZIIWLNDOLOJNHX-JTQLQIEISA-N 212.195 2.682 0 50 BFAA CC[C@]12C[C@@H]1CN(C(=O)c1cc(C(C)C)on1)C2 1772814617 KAJAVZRBOISEMB-QMTHXVAHSA-N 248.326 2.670 0 50 BFAA Cc1nc2c([nH]1)CN([C@H]1CCC(C)(C)C1)CC2 1857671438 RYBZVCPLCIQWDQ-NSHDSACASA-N 233.359 2.655 0 50 BFAA Cc1cccc(C(=O)Nc2ccccn2)c1 73774 LLGAGXPCTRNGQH-UHFFFAOYSA-N 212.252 2.642 0 50 BFAA Nc1nc(-c2ccc(F)c(F)c2)cs1 92387 NDCSJUJQMRFHEX-UHFFFAOYSA-N 212.224 2.671 0 50 BFAA biogenic,in-vitro C[C@@H]1CC[C@@H](N2CCN(c3ccccc3)CC2)C1 212570 WLOHZXKWVPQOQY-GDBMZVCRSA-N 244.382 2.997 0 50 BFAA CCOC(=O)CC(=O)Nc1c(C)cc(C)cc1C 1230900 RQZPGTGVQHWJTB-UHFFFAOYSA-N 249.310 2.504 0 50 BFAA C[C@H]1C[C@H](C)CN(C(=O)CC(C)(C)C)C1 1456518 FOOJLMYCTOSUCR-QWRGUYRKSA-N 211.349 2.927 0 50 BFAA CCN[C@H](C)C(=O)c1ccc(Cl)cc1 2015698 RNBCGEIZCHBTGL-MRVPVSSYSA-N 211.692 2.521 0 50 BFAA in-vitro CCC(=O)N[C@H](C)c1ccc(C)c(C)c1 6698374 JKNYTKDSHVFMON-LLVKDONJSA-N 205.301 2.891 0 50 BFAA CO[C@@](F)(Cl)C(Cl)(Cl)Cl 8698333 WMHOLVCTBNVLOE-GSVOUGTGSA-N 215.866 2.865 0 50 BFAA in-vitro CCOc1cccc(NC(=O)c2ccncc2)c1 9816905 DZHJWSXZOCBOLN-UHFFFAOYSA-N 242.278 2.733 0 50 BFAA Cc1cc(=O)[nH]c(SCc2ccccc2C)n1 15906531 NCLSIUMTGOSZEC-UHFFFAOYSA-N 246.335 2.679 0 50 BFAA C[C@H]1CN(Cc2cccc(Cl)c2)C[C@H](C)O1 19606843 ABPZVYPJUQZREO-QWRGUYRKSA-N 239.746 2.949 0 50 BFAA CN(Cc1ccccc1)C[C@@H](O)c1ccccc1 19608648 STCYDMAVKVKJBI-MRXNPFEDSA-N 241.334 2.852 0 50 BFAA Cc1cc(C)c(-c2cc(C)nc(N)n2)c(C)c1 32541502 REATZCGCRCSILO-UHFFFAOYSA-N 227.311 2.959 0 50 BFAA O=C(O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 36056709 SHCKKENSUDTLMS-HTQZYQBOSA-N 230.185 2.894 0 50 BFAA in-vitro Brc1n[nH]c(C2CCCCC2)n1 49584957 WBXIMLMFQQMREM-UHFFFAOYSA-N 230.109 2.615 0 50 BFAA in-vitro Clc1cccnc1N1CC(c2cccnc2)C1 72151357 OMKWDTNGJVZQNJ-UHFFFAOYSA-N 245.713 2.734 0 50 BFAA COC(=O)c1cc(F)c(Br)cc1C 79387257 KVHVZAULIHMOLK-UHFFFAOYSA-N 247.063 2.683 0 50 BFAA O=C(O)c1cc(O)cc(OCc2ccccc2)c1 95933526 GMNCZGJHAYMSSS-UHFFFAOYSA-N 244.246 2.669 0 50 BFAA C[C@@H](NCCc1ccccc1F)[C@@H]1CCCO1 154403723 WJRQQJXGUSQPKT-RISCZKNCSA-N 237.318 2.525 0 50 BFAA O=c1cc[nH]c2cccc(C(F)(F)F)c12 225816331 HKIQLQJZKCSFRJ-UHFFFAOYSA-N 213.158 2.547 0 50 BFAA CC[C@@H](NC(=O)C1CC=CC1)c1cc(C)ccn1 244787950 QGXOSHKOQUAHSV-CYBMUJFWSA-N 244.338 2.924 0 50 BFAA C[C@H](CSC(C)(C)C)N[C@H]1CCCC[C@H]1O 252512860 WJQZPJXXFDJFPX-GRYCIOLGSA-N 245.432 2.800 0 50 BFAA CCCCOc1ncc(O)cc1Cl 261494255 SUOLHDCTKMYCKK-UHFFFAOYSA-N 201.653 2.620 0 50 BFAA Cc1noc([C@H]2OCC[C@H]2c2ccccc2)n1 328643246 YRFAVYCHMNEDPB-RYUDHWBXSA-N 230.267 2.623 0 50 BFAA CC[C@@]12C[C@@H]1CN(c1cnc3ccccc3n1)C2 1772808683 YITSHBJSQLXUFC-ABAIWWIYSA-N 239.322 2.866 0 50 BFAA OC[C@@H]1CCC[C@@H]1n1ccnc1C1CCCC1 1875247791 OOJYCIICKFPCFU-STQMWFEESA-N 234.343 2.874 0 50 BFAA O=C1CS[C@H]2N1CCCC21CCCCC1 78968 ISJMFHPGCYLYSR-LLVKDONJSA-N 225.357 2.632 0 50 BFAA biogenic CC[C@@H](C)NC(=O)COc1cccc(Cl)c1 94059 NJVQUYFYUVZXCE-SECBINFHSA-N 241.718 2.634 0 50 BFAA C1=N[C@H](c2ccccc2)C(c2ccccc2)=NN1 185583 GTBHCDUCDCRFSO-CQSZACIVSA-N 235.290 2.764 0 50 BFAA O=C(O)[C@@H](Cc1ccc(O)cc1)c1ccccc1 226962 GRCCNKUXWQWOKS-AWEZNQCLSA-N 242.274 2.803 0 50 BFAA in-vitro c1cc2c(cc1CNC1CCCCC1)OCO2 263354 FBAHREKIQKXPBS-UHFFFAOYSA-N 233.311 2.838 0 50 BFAA CCC(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1 486108 XJSPHEYOTZNCFL-UHFFFAOYSA-N 246.262 2.725 0 50 BFAA biogenic COc1ccccc1CNC(=O)c1ccoc1C 1052128 LDPOSISNYBPNMK-UHFFFAOYSA-N 245.278 2.527 0 50 BFAA CN1CCC[C@H]1c1c[nH]c2ccccc12 2029407 FNTDGCHSJHAFAV-ZDUSSCGKSA-N 200.285 2.935 0 50 BFAA CC(=O)NCc1ccc(C(C)(C)C)s1 4030563 JRTVJGLJNDGFPJ-UHFFFAOYSA-N 211.330 2.682 0 50 BFAA O=C1O[C@@H](c2ccccc2)C[C@@H]1C(F)(F)F 4266458 VMFJOFAAYDXZBX-DTWKUNHWSA-N 230.185 2.853 0 50 BFAA O=C(O)c1cccc(OC(F)(F)C(F)F)c1 4290057 KXSUHQSIHGQDQV-UHFFFAOYSA-N 238.136 2.622 0 50 BFAA in-vitro COc1ccc2nc(C(F)(F)F)cc(O)c2c1 4830875 LLZDJBZPTTUUPM-UHFFFAOYSA-N 243.184 2.968 0 50 BFAA in-vitro CCn1cc(C[C@@H](C)N)c2ccccc21 6678084 PAADIGQGIZWIJL-SNVBAGLBSA-N 202.301 2.551 0 50 BFAA Cc1noc(-c2cccc(Br)c2)n1 12370389 CAJCGTZYHFBZAW-UHFFFAOYSA-N 239.072 2.808 0 50 BFAA in-vitro COC(=O)c1ccc(-c2ccncc2)cc1 15442535 QQQMCQRQWVXBOY-UHFFFAOYSA-N 213.236 2.535 0 50 BFAA in-vitro COc1cccc(OCCCNC(C)(C)C)c1 23634179 SAQWFUCLSAUBQR-UHFFFAOYSA-N 237.343 2.852 0 50 BFAA Nc1cc(C2CCC2)nn1-c1ccccc1 34976194 FFTUPFXYVRUGKW-UHFFFAOYSA-N 213.284 2.722 0 50 BFAA in-vitro CC(C)(C)c1ncncc1Br 39233306 ROCULZFCNXRIKL-UHFFFAOYSA-N 215.094 2.537 0 50 BFAA COc1ccccc1-c1cnc(C(=O)O)s1 45206029 YUZJONZFADZDMH-UHFFFAOYSA-N 235.264 2.517 0 50 BFAA CN1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 65384786 VGGXXEAYHHSUTP-JKSUJKDBSA-N 241.334 2.620 0 50 BFAA FC(F)(F)c1nc(Cl)ncc1Cl 71790185 TXXQDEGSBJJCSM-UHFFFAOYSA-N 216.977 2.802 0 50 BFAA in-vitro CCCOCc1nc(-c2cccs2)no1 109460044 LZOQCJCHOOCAAV-UHFFFAOYSA-N 224.285 2.725 0 50 BFAA c1ccc(C[C@@H](NCc2ccco2)C2CC2)nc1 152053667 YVSOUGBXEQIIGQ-OAHLLOKOSA-N 242.322 2.786 0 50 BFAA C=CC(=O)N[C@H](C)c1cc2cccc(F)c2o1 888098429 FRDLTZFWPWEWNI-MRVPVSSYSA-N 233.242 2.935 0 50 BFAA Cc1ccc(-c2nc[nH]c3nc(C)c(C)c2-3)nc1 1242904196 ZFSJLKOVWRYTKX-UHFFFAOYSA-N 238.294 2.897 0 50 BFAA Cc1cc(NCCOC(C)C)c2c(C)noc2n1 1776007182 WKAJZYQJGUIDSA-UHFFFAOYSA-N 249.314 2.677 0 50 BFAA Cc1cc(NC(=O)CCc2ccccc2)no1 35396 RSGZSULBYQQALM-UHFFFAOYSA-N 230.267 2.554 0 50 BFAA O=C(NCc1ccco1)c1cc2ccccc2o1 37938 KHXYMKAYAUKIKZ-UHFFFAOYSA-N 241.246 2.956 0 50 BFAA Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1 123094 GEQWBCPSXJTWRI-UHFFFAOYSA-N 244.685 2.656 0 50 BFAA COc1ccc(C(=O)NC2CCCCC2)cc1 123248 IMMPTCOVSXOBPZ-UHFFFAOYSA-N 233.311 2.758 0 50 BFAA Cc1cccc(NC2=NC[C@H](C)S2)c1 135002 NBNOKMADYAZRNP-VIFPVBQESA-N 206.314 2.898 0 50 BFAA in-vitro CCC1=[N+]([O-])[C@H](c2ccccc2)N(O)C1(C)C 300057 SQIPUOGHUWXIRH-LBPRGKRZSA-N 234.299 2.530 0 50 BFAA CNC(=O)Nc1cccc(Cl)c1Cl 396347 GCCCKLZMLIDIAX-UHFFFAOYSA-N 219.071 2.745 0 50 BFAA CC(C)(C)NC(=O)NCc1cccc(Cl)c1 399198 DBBDLJBJSHSEAA-UHFFFAOYSA-N 240.734 2.938 0 50 BFAA CNc1nc(-c2ccc(OC)cc2)cs1 882200 MFCDHYYQUAUROS-UHFFFAOYSA-N 220.297 2.860 0 50 BFAA in-vitro CCCC(=O)N[C@H](CC)Cc1ccccc1 3095031 LPCHKHUWDBSQJO-CYBMUJFWSA-N 219.328 2.924 0 50 BFAA Nc1nc2c(Br)cc(F)cc2s1 3676499 CEYPUSNLJCQPQY-UHFFFAOYSA-N 247.092 2.780 0 50 BFAA in-vitro C[C@@H]1CN(C)[C@H](C)C[C@@]1(CCN)c1ccccc1 4031403 XTILSTQWLFVMKB-IIAWOOMASA-N 246.398 2.633 0 50 BFAA CSc1ccccc1-c1nnc(N)s1 4234709 VKNKVWYDLCCDMV-UHFFFAOYSA-N 223.326 2.509 0 50 BFAA in-vitro CC(C)C(=O)Nc1nc(-c2ccccn2)cs1 5856739 KVWUCVYBTJZJPH-UHFFFAOYSA-N 247.323 2.800 0 50 BFAA Nc1cccc(/C=C/C(=O)Nc2ccccc2)c1 6045581 AOTUZURGUQANRL-MDZDMXLPSA-N 238.290 2.921 0 50 BFAA Fc1ccc(OCC2CCNCC2)cc1Cl 12137836 JFYJZTKNXSMNRN-UHFFFAOYSA-N 243.709 2.858 0 50 BFAA CSc1cncc(Br)c1 12471865 AKFNVEXSYXJWQX-UHFFFAOYSA-N 204.092 2.566 0 50 BFAA in-vitro CC1(C)OC(c2cccc(O)c2)OC1(C)C 15108446 DWVVPNURJVIOQA-UHFFFAOYSA-N 222.284 2.995 0 50 BFAA CC[C@H](C)N1CCN(Cc2cccc(C)c2)CC1 19789448 GMPMIXCTLDGIMM-HNNXBMFYSA-N 246.398 2.911 0 50 BFAA COc1ccc(F)c(Br)c1 71244646 LYIGJBQYDRJPIR-UHFFFAOYSA-N 205.026 2.597 0 50 BFAA in-vitro COCCC[C@@H]1CCCCN1Cc1ccncc1 77469892 CJANXHLGOJCTFK-HNNXBMFYSA-N 248.370 2.863 0 50 BFAA Cc1cc(C(=O)O)ccc1C(F)(F)F 91305207 HTFFMPNQGJHNCD-UHFFFAOYSA-N 204.147 2.712 0 50 BFAA in-vitro C1=CC[C@@H](CN2CCC[C@H](c3ccn[nH]3)C2)CC1 104438607 QMHUOLWEAZBZEX-KGLIPLIRSA-N 245.370 2.945 0 50 BFAA C[C@@H](Cn1nnnc1C(C)(C)C)c1ccccc1 128071101 MLZOCHLCQNRTDC-NSHDSACASA-N 244.342 2.774 0 50 BFAA Cc1cc(/C=C/c2ccncn2)cc(C)c1O 157338821 IBUGYHIDLGNSBR-ONEGZZNKSA-N 226.279 2.969 0 50 BFAA CC1(C(=O)NCCc2cccc(Cl)c2)CC1 158521266 LNVDUIPBXUMROX-UHFFFAOYSA-N 237.730 2.799 0 50 BFAA COCN(Cc1ccccc1)C[Si](C)(C)C 169743193 RPZAAFUKDPKTKP-UHFFFAOYSA-N 237.419 2.970 0 50 BFAA CC(C)(C)OC(=O)N1CC(=CBr)C1 238140108 JDTNGSPSWISNON-UHFFFAOYSA-N 248.120 2.516 0 50 BFAA Nc1ccc2cc(C(F)(F)F)cnc2c1 261508676 VTUYZLRLWZEADB-UHFFFAOYSA-N 212.174 2.836 0 50 BFAA c1cnc(-c2csc(NC3CCCC3)n2)cn1 283857269 IDHZCPGXEUIZOS-UHFFFAOYSA-N 246.339 2.955 0 50 BFAA Cc1noc(C)c1CN1CCC[C@](C)(F)C1 296188983 YIQFAGLWRRHATL-LBPRGKRZSA-N 226.295 2.615 0 50 BFAA Cc1nc(-c2cccc(OC(C)C)c2)nn1C 426371990 HOHUWBPFJQTPNI-UHFFFAOYSA-N 231.299 2.578 0 50 BFAA CCOc1ncccc1-c1cn(CC)nc1C 426377929 HRNTZZKBBZLHJN-UHFFFAOYSA-N 231.299 2.672 0 50 BFAA C[C@H](CC(F)(F)F)NCc1cccc(CO)c1 534591341 BPZSLQZQENUBGW-SECBINFHSA-N 247.260 2.609 0 50 BFAA CC(C)c1cccc(OCC[C@@H]2CCNC2=O)c1 585137046 FNZHKTPFYXSLGS-LBPRGKRZSA-N 247.338 2.715 0 50 BFAA O=Cc1cc(F)ccc1-c1ccc(C(=O)O)o1 725261038 IABCQJDOFDSGQC-UHFFFAOYSA-N 234.182 2.596 0 50 BFAA COC(=O)c1cc2c(nc1Cl)[C@@H](C)CCC2 1775970108 BIUYDJCAZCGZPM-ZETCQYMHSA-N 239.702 2.961 0 50 BFAA O=C(NC[C@H]1CC[C@@H]2CCC[C@@H]21)c1cc[nH]c1 1857680721 NIQSHIFUDCHJMK-LOWVWBTDSA-N 232.327 2.571 0 50 BFAA Cn1ccnc1-c1cnc2cc(F)ccc2c1 1857713301 UJZYUTSKEYPBIG-UHFFFAOYSA-N 227.242 2.774 0 50 BFAA Nc1ccc(Cl)cc1C(=O)c1cccc(O)c1 163506 QNYBTFDZVVAFOA-UHFFFAOYSA-N 247.681 2.859 0 50 BFAA COc1cc2cc(C(=O)O)sc2cc1OC 1701061 LIZUZUKHOVUSNS-UHFFFAOYSA-N 238.264 2.617 0 50 BFAA CCOC(=O)Cc1cccc(C(F)(F)F)c1 2243278 JDSJLOLGIHAOOZ-UHFFFAOYSA-N 232.201 2.811 0 50 BFAA Cc1ccc(-c2ccc(C(=O)O)cc2)o1 2505876 SAQVRALSKGWXQZ-UHFFFAOYSA-N 202.209 2.953 0 50 BFAA in-vitro CC(C)(C(=O)O)c1ccc(Br)cc1 2583922 AKVOQXBQLXOEEF-UHFFFAOYSA-N 243.100 2.811 0 50 BFAA in-vitro Clc1ccccc1[C@@H]1CSCCN1 2585757 UXSQOKXSAKGEKA-JTQLQIEISA-N 213.733 2.718 0 50 BFAA in-vitro O[C@H](CNCC1CCCCC1)c1ccccc1 3327213 GDDGPOKVLNZLTH-OAHLLOKOSA-N 233.355 2.890 0 50 BFAA Cc1noc(C)c1C(=O)NCC1CCCCC1 8745670 BWTVICPNGGNIKB-UHFFFAOYSA-N 236.315 2.602 0 50 BFAA Cc1ccc(-c2csc(C(=O)O)n2)cc1 12404824 RLNRIJRPTDSEKD-UHFFFAOYSA-N 219.265 2.817 0 50 BFAA in-vitro CC[C@@H](NC(=O)[C@H]1CCCO1)c1ccc(C)cc1 13328185 BTNVBFONMFJOEG-ZIAGYGMSSA-N 247.338 2.741 0 50 BFAA O=c1[nH]c(-c2ccccc2)nc2ccsc12 13398815 IQFQFNJSTCCSSP-UHFFFAOYSA-N 228.276 2.652 0 50 BFAA CNc1ccc(Br)cc1F 20045189 HGNONAHZRMPHON-UHFFFAOYSA-N 204.042 2.630 0 50 BFAA in-vitro Cc1cc2nc(N)sc2cc1Br 22125092 CEDRKTDWUSPZEX-UHFFFAOYSA-N 243.129 2.949 0 50 BFAA Nc1nc2c(s1)CSc1ccccc1-2 22154530 WGBUMKYAWGTOBY-UHFFFAOYSA-N 220.322 2.998 0 50 BFAA in-vitro NC(=O)c1cncc(-c2ccc(Cl)s2)c1 32513810 XUBUDDWLWMGWPE-UHFFFAOYSA-N 238.699 2.562 0 50 BFAA Nc1c(Cl)cccc1Br 39222353 BIMSFWCFKDVSNO-UHFFFAOYSA-N 206.470 2.685 0 50 BFAA CCNCc1cccc(Br)c1F 85476945 DHRNGOKGZQVRLP-UHFFFAOYSA-N 232.096 2.698 0 50 BFAA Nc1cc(F)cc(OCc2ccccc2)c1 87800021 LZQGNCOYPBHWQE-UHFFFAOYSA-N 217.243 2.987 0 50 BFAA in-vitro CCCc1nnc(NCc2cc(C)nc(C)c2)o1 95373260 NAXRUDREVJAZHE-UHFFFAOYSA-N 246.314 2.646 0 50 BFAA CCCOC(=O)[C@H](C)N(C)C1CCC(C)CC1 170639678 YVTBAUMCQXAQDM-CPCZMJQVSA-N 241.375 2.839 0 50 BFAA C[C@@H]1CC[C@H](N[C@H](CO)c2ccco2)C[C@H]1C 253369630 FWEBSLPARNZHNQ-FVCCEPFGSA-N 237.343 2.727 0 50 BFAA Cc1cccc(NC(=O)N2CC(C)C2)c1F 336403311 TVZPCPLGQZGBSW-UHFFFAOYSA-N 222.263 2.618 0 50 BFAA Cc1c(-c2ccccc2CO)cnn1C(F)F 426478802 NPHSMYGHIWREPS-UHFFFAOYSA-N 238.237 2.746 0 50 BFAA C=CC(=O)N[C@@H](c1cccc(C)c1)C(F)(F)F 1775999569 OQTLSXFUTDDGHR-NSHDSACASA-N 243.228 2.901 0 50 BFAA CCc1csc(Cn2ccnc2C2CC2)n1 1857728017 JQPCQMXLSJWMNV-UHFFFAOYSA-N 233.340 2.828 0 50 BFAA CC[C@@H](COC)n1cc(-c2ccc(F)cc2)nn1 2325772768 CESOUZIMLHJRDG-LBPRGKRZSA-N 249.289 2.682 0 50 BFAA Cc1cc(C(=O)Nc2cccc(Cl)c2)no1 121961 FOZSRWNAOOAWHJ-UHFFFAOYSA-N 236.658 2.889 0 50 BFAA O=C(O)c1ccc(OC2CCCC2)cc1 151503 NSTJDFGPPOXIAT-UHFFFAOYSA-N 206.241 2.706 0 50 BFAA in-vitro COCc1cc(Cl)nc(-c2ccccc2)n1 169142 GSSSCZAOXFZADM-UHFFFAOYSA-N 234.686 2.943 0 50 BFAA in-vitro c1ccc(-c2nnc3sc(C4CC4)nn23)cc1 385215 LRMXNODIGNLIAS-UHFFFAOYSA-N 242.307 2.730 0 50 BFAA CC(=O)c1cccc(NC(=O)N2CCCC2)c1 610789 ZRUCPFIYWKTQCW-UHFFFAOYSA-N 232.283 2.517 0 50 BFAA OCCSCc1ccc(Cl)cc1 2163756 DKNBCVYGWWWYEP-UHFFFAOYSA-N 202.706 2.566 0 50 BFAA CCOC(=O)[C@@H](C)Oc1ccc2c(c1)CCC2 2549386 WEMKCYKPXXBMFS-SNVBAGLBSA-N 234.295 2.506 0 50 BFAA CCCCn1c(C=O)nc2ccccc21 2689401 XCCVBLAZECLPMJ-UHFFFAOYSA-N 202.257 2.649 0 50 BFAA in-vitro CCCNC(=O)COc1ccc(Cl)c(C)c1 2824468 KLXWWRRTIGCMFJ-UHFFFAOYSA-N 241.718 2.553 0 50 BFAA COc1cccc(NC(=O)c2c(C)noc2C)c1 3533486 ZICOHUOZAYBIJA-UHFFFAOYSA-N 246.266 2.552 0 50 BFAA COc1cccc([C@H](O)c2cccc(F)c2)c1 4255924 FGEAOSYXTCGVGV-CQSZACIVSA-N 232.254 2.916 0 50 BFAA CCc1cccc(OCCN(CC)CC)c1 4845079 SGORPGZXKVRAFN-UHFFFAOYSA-N 221.344 2.970 0 50 BFAA Cc1cc(N(C)C)ccc1Br 5587575 DPFVFQHTPIFECX-UHFFFAOYSA-N 214.106 2.824 0 50 BFAA in-vitro Cc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1 12176704 QBGWUKDMIGJTDU-UHFFFAOYSA-N 236.274 2.899 0 50 BFAA Cc1ccc([C@@H](C)NC(=O)c2cc(C)on2)cc1 13327670 XKCUKTHUIMQRDV-LLVKDONJSA-N 244.294 2.782 0 50 BFAA Nc1ccc(OCC(F)(F)F)c(Cl)c1 19256759 LLSUFBIBUWJAEH-UHFFFAOYSA-N 225.597 2.863 0 50 BFAA in-vitro CCc1cccc(I)c1 57375406 XSMZGZMBNXKCBW-UHFFFAOYSA-N 232.064 2.854 0 50 BFAA C(=C/c1nc(C2CC2)n[nH]1)\c1ccccc1 65371098 MYCSOSORYCJNGG-RMKNXTFCSA-N 211.268 2.853 0 50 BFAA NN[C@@H](c1ccccc1)c1ccc(Cl)cc1 97482391 NVVUVPMLOWJDPV-ZDUSSCGKSA-N 232.714 2.893 0 50 BFAA CCCn1c(=N)sc2cc(C)ccc21 196367894 ZRDDACIWGZYLSF-UHFFFAOYSA-N 206.314 2.901 0 50 BFAA N[C@@H](CF)c1ccc(C(F)(F)F)cc1 238573619 YGIHVJXYBOLZDZ-QMMMGPOBSA-N 207.170 2.675 0 50 BFAA Cc1cnc(N[C@H](C)c2cncc(F)c2)nc1C 685913278 RMNULKDGQIXTHP-SNVBAGLBSA-N 246.289 2.801 0 50 BFAA CC[C@H]1CCc2nnc(-c3ncoc3C)n2CC1 1772812116 AWCHYAZJXHACDM-JTQLQIEISA-N 246.314 2.604 0 50 BFAA COc1ccc(-c2cnc3cnccn23)cc1C 2100473596 JJPBDQLJLCFWLP-UHFFFAOYSA-N 239.278 2.713 0 50 BFAA COc1cccc([C@H](O)c2cccs2)c1 54634 JXTVWBSRVWXIQE-LBPRGKRZSA-N 220.293 2.838 0 50 BFAA in-vitro CCOc1ccccc1NC(=O)c1cccnc1 247329 YTOLOSJYDUIVIQ-UHFFFAOYSA-N 242.278 2.733 0 50 BFAA CCOC(=O)c1ccc(OCC)cc1OCC 403466 XCKIALVAGKRVNP-UHFFFAOYSA-N 238.283 2.661 0 50 BFAA CN(C)C(=O)Cc1ccc2c3c(cccc13)CC2 438149 QIDOYKNUPWZRQS-UHFFFAOYSA-N 239.318 2.569 0 50 BFAA CCC[C@@H](C)C(=O)NCc1ccc(OC)cc1 450093 HYFRYIZBLORNAY-LLVKDONJSA-N 235.327 2.748 0 50 BFAA biogenic COc1ccc(NC(=O)Cc2cccs2)cc1 3161103 ZKDDGJXJRDSOSK-UHFFFAOYSA-N 247.319 2.938 0 50 BFAA Cn1cc(C(=O)C(F)(F)F)c2ccccc21 4053147 ICMIXFPYWFUAAL-UHFFFAOYSA-N 227.185 2.923 0 50 BFAA in-vitro CC(C)Cc1nnc2sc(-c3ccco3)nn12 11278927 OVEWWHYRDQTNAF-UHFFFAOYSA-N 248.311 2.644 0 50 BFAA OCc1cc(-c2cccc3ncccc23)ccn1 19812781 YXRSKHNHFTWSEP-UHFFFAOYSA-N 236.274 2.789 0 50 BFAA COc1ccc(Cl)cc1-c1csc(=O)[nH]1 41285719 FFPQQUPRJOENDQ-UHFFFAOYSA-N 241.699 2.765 0 50 BFAA in-vitro O=C(N[C@@H]1COC2(CCCCC2)C1)c1ccco1 65525512 ATZIQQCSDBKIHY-NSHDSACASA-N 249.310 2.501 0 50 BFAA c1cncc([C@@H]2CN(CC3CCCC3)CCO2)c1 97654019 DRFMBYFSSGDUSP-HNNXBMFYSA-N 246.354 2.645 0 50 BFAA Cc1nc2cc(-c3ccccc3)nn2c(O)c1C 100528650 FAYXDQDFGDMVHB-UHFFFAOYSA-N 239.278 2.719 0 50 BFAA c1ccc(COCSc2ncc[nH]2)cc1 170594950 KCLFYGISNCEUNV-UHFFFAOYSA-N 220.297 2.676 0 50 BFAA Cc1cccc(N[S@](=O)C(C)(C)C)c1 200967929 HXWRPRYPEZIYKL-CQSZACIVSA-N 211.330 2.869 0 50 BFAA COc1ccc(C[C@@H](C(=O)O)C(F)(F)F)cc1 211907471 CQYHJXOOIMISMD-VIFPVBQESA-N 248.200 2.501 0 50 BFAA COc1ccc2c(c1)[C@H]1[C@H]3[C@@H]4[C@H]5[C@@H]([C@H]14)[C@@H]2[C@@H]35 247912633 ACYLUOJGJPYKPD-JOOBTXEYSA-N 210.276 2.628 0 50 BFAA COC[C@@H]1CCN1C/C(C)=C/c1ccccc1 293792383 ZZRKMRQJAMWBID-VOMSXAGXSA-N 231.339 2.811 0 50 BFAA COC(=O)c1c(C)cc(Cl)cc1F 299889020 CGLYTKBVCSPYLN-UHFFFAOYSA-N 202.612 2.574 0 50 BFAA c1cc(CN2CCC[C@H]2C2CC2)c2cn[nH]c2c1 628163637 LLEOUTRIFNYMQQ-HNNXBMFYSA-N 241.338 2.937 0 50 BFAA C=CC(=O)N(CCC)[C@@H]1CCc2ccccc2C1 1120462382 SLNPZRYLUWAESG-OAHLLOKOSA-N 243.350 2.969 0 50 BFAA C[C@@](O)(c1ccccc1)[C@](C)(O)c1ccccc1 42831 URPRLFISKOCZHR-HZPDHXFCSA-N 242.318 2.802 0 50 BFAA biogenic Fc1ccccc1CNCc1ccco1 268553 KADMHCTXMCVDHE-UHFFFAOYSA-N 205.232 2.709 0 50 BFAA in-vitro Cc1occc1C(=O)Nc1cccc(C(=O)O)c1 269959 ROJXTCDVXKNYKB-UHFFFAOYSA-N 245.234 2.539 0 50 BFAA CC(C)=CCN(C)CCc1ccccn1 278267 MDIRARVGLXLRRZ-UHFFFAOYSA-N 204.317 2.522 0 50 BFAA O=C(O)[C@@H]1CC=CC[C@H]1C(=O)c1ccccc1 323271 JJALHZDTTJJYCI-VXGBXAGGSA-N 230.263 2.536 0 50 BFAA CN(C)C(=S)Nc1ccccc1OC(F)F 611840 VUTXTKODNYQCFA-UHFFFAOYSA-N 246.282 2.546 0 50 BFAA O=Cc1ccc(-c2ccc(C(=O)O)cc2)s1 4312915 NRGPPHJDPPKYKN-UHFFFAOYSA-N 232.260 2.926 0 50 BFAA COc1ccccc1/C=C/c1nc(C)no1 5510031 PEDFHEMERHLMFM-BQYQJAHWSA-N 216.240 2.557 0 50 BFAA Cc1cc(C)cc(NC(=O)NC2CC2)c1 6729537 AGYYPSSQCDYKAP-UHFFFAOYSA-N 204.273 2.587 0 50 BFAA O=C(O)c1cccc2nc(-c3ccccc3)[nH]c12 6740824 LZGYSXDYTDCYCR-UHFFFAOYSA-N 238.246 2.928 0 50 BFAA CC(C)(C)C(=O)Nc1cc(C(C)(C)C)on1 12381571 NBWJXCIEFSUCAQ-UHFFFAOYSA-N 224.304 2.957 0 50 BFAA O[C@@H]1c2ccccc2[C@H]2[C@H]1c1ccccc1[C@@H]2O 17191210 ZHODMXFAYOBKEZ-SYMSYNOKSA-N 238.286 2.648 0 50 BFAA CC(C)[C@@H](O)c1ccc([C@@H](C)C(=O)O)cc1 22060695 RMOQYHYFRKTDRI-BXKDBHETSA-N 222.284 2.564 0 50 BFAA world Nc1cccc(C(=O)c2cccs2)c1 32010159 NAOSAFFBRSHIPI-UHFFFAOYSA-N 203.266 2.561 0 50 BFAA COC(=O)Cc1ccc2ccccc2c1 33822432 BGYOCQOJCMPTCY-UHFFFAOYSA-N 200.237 2.555 0 50 BFAA in-vitro Cc1ccsc1[C@H](C)N[C@@H]1C=C[C@H](CO)C1 134809891 RWRHTTRJIPHYRR-SDDRHHMPSA-N 237.368 2.644 0 50 BFAA CC(=O)CCCCCNC(=O)OC(C)(C)C 168041180 XSMVDURNINETJM-UHFFFAOYSA-N 229.320 2.661 0 50 BFAA in-vitro COc1cc([C@H](C)N)cc2ccccc12 685944193 YMORCTCUKMFZCV-VIFPVBQESA-N 201.269 2.868 0 50 BFAA CC(=O)c1ccc(Oc2cc(N)ccc2C)nc1 953079339 WIDJYEBNKPRZGT-UHFFFAOYSA-N 242.278 2.967 0 50 BFAA c1ccc2c(c1)CCO[C@H]2CNC1CC2(CC2)C1 1615613690 JPYXKCGKLVRUIF-HNNXBMFYSA-N 243.350 2.833 0 50 BFAA O=C(O)c1cc2oc(Br)cc2s1 1857782137 QZIIHDMTBHTBGQ-UHFFFAOYSA-N 247.069 2.955 0 50 BFAA CN(C)c1ccc(NC(=O)c2ccco2)cc1 54983 ZBJRIAKEPNWQLK-UHFFFAOYSA-N 230.267 2.598 0 50 BFAA c1cncc(-c2noc(-c3cccs3)n2)c1 85398 KLZAAHMRORSLAL-UHFFFAOYSA-N 229.264 2.860 0 50 BFAA COc1ccc([C@@H](C)NC(=O)C2CCC2)cc1 6742646 TUWTWMRYCPSSOA-SNVBAGLBSA-N 233.311 2.673 0 50 BFAA Cc1ccc(O[C@@H](C)C(=O)NC(C)C)cc1C 8480988 ILBDUZJSKQURJL-LBPRGKRZSA-N 235.327 2.595 0 50 BFAA FCCOc1ccc(Br)cc1 34450112 HCSATMHJZXLZDU-UHFFFAOYSA-N 219.053 2.797 0 50 BFAA in-vitro FC=C(Br)Br 59272714 ODGLWGRDIBCXGD-UHFFFAOYSA-N 203.836 2.545 0 50 BFAA in-vitro O=Cc1cc(Br)cc(F)c1F 85224870 WNJTWTDADQWUFR-UHFFFAOYSA-N 221.000 2.540 0 50 BFAA in-vitro Cc1ccc(F)cc1NC(=O)c1ccc[nH]1 170102695 PPKRQAMKQGJWNA-UHFFFAOYSA-N 218.231 2.715 0 50 BFAA COCCCOc1cc(F)cc(F)c1C(C)=O 170602138 JGDFANKDKCPGFE-UHFFFAOYSA-N 244.237 2.583 0 50 BFAA O=c1cccnn1C/C=C/c1ccc(Cl)cc1 195418646 RKAKJASYUORKIW-NSCUHMNNSA-N 246.697 2.610 0 50 BFAA c1ccc(-c2nccs2)c(OC[C@@H]2CO2)c1 202905762 SADUTKPALZNVIL-VIFPVBQESA-N 233.292 2.588 0 50 BFAA O[C@](c1ccccc1)(c1ccc[nH]1)C(F)(F)F 231514445 AFRUUCVKSGGORC-LLVKDONJSA-N 241.212 2.813 0 50 BFAA O=C(C1=NO[C@H]2[C@H]3CC[C@@H](C3)[C@H]12)c1ccccc1 247807500 CEAYTPVKXPIMKF-OHTBPHCPSA-N 241.290 2.670 0 50 BFAA CNC(=O)[C@]1(Cc2ccccc2)C[C@H]2CC[C@H]1C2 247985459 YYHIYLFIQQHYPX-OFQRWUPVSA-N 243.350 2.782 0 50 BFAA C[C@H](C(=O)Nc1cncc(F)c1)c1ccccc1 336038513 NQAMDJBTDGBXLK-JTQLQIEISA-N 244.269 2.963 0 50 BFAA CC[C@@H](C(=O)NCC1(C(C)C)CC1)n1cccc1 534658831 XZXJYLIBXYRIEX-ZDUSSCGKSA-N 248.370 2.992 0 50 BFAA C/C=C/CC(=O)N[C@H](CC)c1cccc(C)n1 584898532 SMQHZCVUFVQOAS-FVOPLDGLSA-N 232.327 2.924 0 50 BFAA C=CC(=O)N1CC[C@H](c2csc(C)c2)C1 888098855 UUMNKNJDDVBLRK-JTQLQIEISA-N 221.325 2.558 0 50 BFAA O=c1oc(-c2ccc(F)cc2)nc2ccccc12 97122 FWPIOVHFUGZTPA-UHFFFAOYSA-N 241.221 2.994 0 50 BFAA Cc1ccccc1NC(=O)c1ccccc1N 122619 UOXHTELQAYPDBQ-UHFFFAOYSA-N 226.279 2.830 0 50 BFAA Nc1nnc(CCC2CCCCC2)s1 199466 XXAAUXINWNGENV-UHFFFAOYSA-N 211.334 2.633 0 50 BFAA in-vitro Cc1ccc(CNCc2ccccn2)cc1 795088 IBTJBQKFYIHFEV-UHFFFAOYSA-N 212.296 2.680 0 50 BFAA NNc1cc(C(F)(F)F)ccc1Cl 2510235 PAPSYPXQNRTIRR-UHFFFAOYSA-N 210.586 2.644 0 50 BFAA in-vitro Cc1cc(Nc2ccc(Cl)cc2)nc(N)n1 4038247 LXQRKCBMOAYRNL-UHFFFAOYSA-N 234.690 2.764 0 50 BFAA COc1ccc(NC(=O)c2ccccc2O)cc1 6484380 SZEPRRFZUWYXNA-UHFFFAOYSA-N 243.262 2.653 0 50 BFAA CN(c1ncccc1C(=O)O)C1CCCCC1 8729750 NBWYSKBYIIBKEY-UHFFFAOYSA-N 234.299 2.549 0 50 BFAA in-vitro CN(Cc1cccc(Cl)c1)C1CCNCC1 32916956 JSVVRGHGFPQDNT-UHFFFAOYSA-N 238.762 2.524 0 50 BFAA CN(C)C(=O)Cc1ccc(-c2ccccc2)cc1 34458120 CBTPTIPONPPUTA-UHFFFAOYSA-N 239.318 2.984 0 50 BFAA CC(C)(C)OC(=O)N1CCC[C@@H](CF)C1 71257517 WVPOYHXYOTZWPR-VIFPVBQESA-N 217.284 2.603 0 50 BFAA in-vitro c1cc2cc(C3CCNCC3)ccc2cn1 108274885 WKJJFCLGSAPOMH-UHFFFAOYSA-N 212.296 2.702 0 50 BFAA CC(C)SCc1ccnc(N(C)C)c1 127449837 YRULHQFKVWJIEM-UHFFFAOYSA-N 210.346 2.789 0 50 BFAA COc1ccc([C@@H]2ON[C@H](C)C=C2C)cc1 139820051 NDOWTCJTXMFCSO-ZWNOBZJWSA-N 219.284 2.606 0 50 BFAA COc1ccc(CN2CCCCCC2=O)cc1 247873568 FYRGKUMTUNQXLF-UHFFFAOYSA-N 233.311 2.598 0 50 BFAA Clc1nc(Cl)c2ccnc(Cl)c2n1 261506920 CKGWRKCQLNZTDI-UHFFFAOYSA-N 234.473 2.985 0 50 BFAA c1cc(Cn2ccnc2C2CCCC2)ccn1 1875245864 BECHZVBAHCEMLX-UHFFFAOYSA-N 227.311 2.984 0 50 BFAA CCSc1cc(C(=O)O)c(NC(C)=O)s1 336296 PUBYOQUCKIICNE-UHFFFAOYSA-N 245.325 2.517 0 50 BFAA O=C1c2ccccc2[C@@H]2C(=O)c3ccccc3[C@H]12 393508 IJSLGPMHLYJZSU-KBPBESRZSA-N 234.254 2.947 0 50 BFAA CN(CCc1ccccc1)Cc1cccnc1 757130 QNRADBANHRIORH-UHFFFAOYSA-N 226.323 2.756 0 50 BFAA Cc1cc(C)c(Br)cc1N 1610391 LRPYBWZQRJDXDB-UHFFFAOYSA-N 200.079 2.648 0 50 BFAA in-vitro FC(F)(F)c1nnc2c3ccccc3ccn12 2172607 VCCLTMGHQTUHGC-UHFFFAOYSA-N 237.184 2.901 0 50 BFAA Brc1ccc(C2CCNCC2)cc1 2580923 ZKABWLFDCJKQRE-UHFFFAOYSA-N 240.144 2.916 0 50 BFAA in-vitro CCc1cc(=O)oc2cc(O)c(Cl)cc12 2902426 CCTHGSIZVOYDFZ-UHFFFAOYSA-N 224.643 2.714 0 50 BFAA CCOc1ccc(Nc2nnc(C)s2)cc1 6701703 NNLWKPIENJEIAQ-UHFFFAOYSA-N 235.312 2.989 0 50 BFAA Cc1ccc(C(=O)OCc2ccco2)cc1 6702417 BYPWJBLMJWKUNT-UHFFFAOYSA-N 216.236 2.945 0 50 BFAA Cc1c(Br)c(=O)[nH]c2ccccc12 8649201 ATONPIUAJAKDQK-UHFFFAOYSA-N 238.084 2.599 0 50 BFAA in-vitro Nc1ccc2nc(C(F)(F)F)ccc2c1 11737070 DMOZVMKZTCUPQC-UHFFFAOYSA-N 212.174 2.836 0 50 BFAA Cc1nnc(-c2ccc(Br)cc2)o1 12370677 PQSCYRJMPVYVKU-UHFFFAOYSA-N 239.072 2.808 0 50 BFAA in-vitro O=c1[nH]c2ccccc2nc1-c1ccccc1 17945129 ZBBQSGVRBQKLLE-UHFFFAOYSA-N 222.247 2.590 0 50 BFAA CCCC1=NN(c2ccccc2)C(=O)C1 18217747 DXQSVRLYPGKQNS-UHFFFAOYSA-N 202.257 2.579 0 50 BFAA Cc1ccc(C[C@@H]2CCCCN2)cc1F 32099152 FFLHQMFCSTUIGU-LBPRGKRZSA-N 207.292 2.819 0 50 BFAA in-vitro CC(=O)c1cccc(-c2cccc(N)n2)c1 32592957 YGWXZPJRSYZWMG-UHFFFAOYSA-N 212.252 2.533 0 50 BFAA Cn1c(-c2ccc(O)cc2)nc2ccccc21 36896067 UTCOQGRQNJZVRR-UHFFFAOYSA-N 224.263 2.946 0 50 BFAA CC(=O)c1ccc2cccc(C(C)=O)c2n1 64033791 QSNJPRHTMFJPNE-UHFFFAOYSA-N 213.236 2.640 0 50 BFAA in-vitro Cc1cc(C)c(-c2cc(C(N)=O)ccn2)c(C)c1 65372020 YYMBOLARSGWYGJ-UHFFFAOYSA-N 240.306 2.773 0 50 BFAA OCc1ccccc1-c1nccc2occc12 65530519 ZASNAFPSUXAEGI-UHFFFAOYSA-N 225.247 2.987 0 50 BFAA CC1(C)CCC2(OCCO2)[C@]2(C)C[C@H]2C1 71785989 CDABDQBRUUFCQK-ZYHUDNBSSA-N 210.317 2.966 0 50 BFAA CC[C@H](C)C(=O)Nc1ccc(C)c(C(=O)O)c1 110987146 NYFYOOOKKABFPN-QMMMGPOBSA-N 235.283 2.678 0 50 BFAA O=C(O)c1ccc2oc(CC(F)(F)F)nc2c1 159667574 LEEJDIOLWLQOQP-UHFFFAOYSA-N 245.156 2.631 0 50 BFAA CCn1nnc2c(C)c(Br)ccc21 306145201 IQNGUAKMBYLHIA-UHFFFAOYSA-N 240.104 2.522 0 50 BFAA c1csc(NCCCOC2CCCC2)n1 308872816 ZRUVOMKBTAYIDA-UHFFFAOYSA-N 226.345 2.904 0 50 BFAA c1ccc(CN2CC[C@@H](C3CCOCC3)C2)cc1 336482230 ZVWSMPFTBDGCNS-MRXNPFEDSA-N 245.366 2.935 0 50 BFAA Cc1cc(OCc2ccon2)c(C)c(C)n1 408518484 KDCGZHOHCRSGPH-UHFFFAOYSA-N 218.256 2.574 0 50 BFAA C[C@@]12OC(=O)O[C@]1(C)CCc1ccccc12 117391 RZFWPUPZZRXZLU-OLZOCXBDSA-N 218.252 2.774 0 50 BFAA CC(=O)Nc1nc2c(Cl)cccc2s1 273542 JAIKFGSDRDEZLU-UHFFFAOYSA-N 226.688 2.908 0 50 BFAA C[C@](O)(C(=O)O)c1ccc(-c2ccccc2)cc1 392272 BRGSEHHSPCVJLH-OAHLLOKOSA-N 242.274 2.646 0 50 BFAA CC(C)(C)OC(=O)C(F)(F)C(F)(F)F 2565724 PIXVHVXDRVVEGH-UHFFFAOYSA-N 220.137 2.526 0 50 BFAA biogenic,in-vitro COc1ccc(CNCc2ccccc2)cc1O 2575941 DFYCFKUHDJHFMF-UHFFFAOYSA-N 243.306 2.691 0 50 BFAA Cc1cc(Br)c(C(=O)O)s1 6556558 PMAKMJUFILUVSV-UHFFFAOYSA-N 221.075 2.517 0 50 BFAA in-vitro O=Cc1cc2ccc(F)cc2nc1Cl 11887982 CZBARWPAXUPUFB-UHFFFAOYSA-N 209.607 2.840 0 50 BFAA in-vitro CC(C)C1=C[C@@H]2[C@H](CC[C@@]2(C)O)[C@@](C)(O)CC1 15265032 IWQURBSTAIRNAE-LJISPDSOSA-N 238.371 2.891 0 50 BFAA biogenic,in-vitro C[C@@H](CCN1CCOCC1)c1ccccc1 19633722 NLMUTNTVABGYTP-ZDUSSCGKSA-N 219.328 2.512 0 50 BFAA CCN(CC)CCN(C)C[C@H]1CC=CCC1 19634037 JMUOSMWJHAUVRN-AWEZNQCLSA-N 224.392 2.616 0 50 BFAA O[C@H](CNCc1ccccc1)c1ccccc1 19943035 XAOCLQUZOIZSHV-OAHLLOKOSA-N 227.307 2.510 0 50 BFAA in-vitro O=C(O)c1cccc(-c2cccs2)n1 20357747 CHHWBAMXISYONU-UHFFFAOYSA-N 205.238 2.508 0 50 BFAA CCOc1cc(C(=O)O)nc2ccc(C)cc12 71775232 ULQQHROLBFQJAI-UHFFFAOYSA-N 231.251 2.640 0 50 BFAA CC(C)n1cnnc1CN(C)C[C@@H]1CC=CCC1 77534930 AOCYNQGAWNYTDX-CYBMUJFWSA-N 248.374 2.647 0 50 BFAA Cc1cccc([C@H](C)NCC[C@H](C)O)c1C 167741726 YLPIFFMXZYEFAI-AAEUAGOBSA-N 221.344 2.725 0 50 BFAA c1ccc(CN2CC[C@H]3CCCC[C@H]32)nc1 281395532 XDENLTKWXPKCCT-TZMCWYRMSA-N 216.328 2.846 0 50 BFAA Cc1cnc(CN2CCC[C@@H]2c2cccnc2)o1 334872937 WVZFRWLZLYLKPF-CYBMUJFWSA-N 243.310 2.715 0 50 BFAA COc1ccc(Oc2ccc(C)nc2C)cn1 1800414852 WQUPMGQRYPOEAT-UHFFFAOYSA-N 230.267 2.894 0 50 BFAA Cc1c(Cl)cccc1NC(=O)c1cnccn1 68240 ZBCXVYNIPGPYMF-UHFFFAOYSA-N 247.685 2.691 0 50 BFAA CCn1c2ccccc2n2nc(C)c(C(C)=O)c12 90526 LUPXRCMTGVELJN-UHFFFAOYSA-N 241.294 2.820 0 50 BFAA Oc1cnn(-c2cccc(C(F)(F)F)c2)c1 168857 SGZRMGCFXYGLQZ-UHFFFAOYSA-N 228.173 2.597 0 50 BFAA in-vitro Cn1ccnc1[C@@H](O)c1cccc2ccccc12 184059 OFTANOLWXSYUKW-AWEZNQCLSA-N 238.290 2.655 0 50 BFAA Cc1cc(NC(=O)/C=C/c2ccc(C)o2)no1 204319 YDZLAEDGHKFFAY-AATRIKPKSA-N 232.239 2.536 0 50 BFAA O[C@@H]1CCN(Cc2cccc(Cl)c2Cl)C1 213033 VMZADYKTSRZBMS-SECBINFHSA-N 246.137 2.560 0 50 BFAA O=C(Nc1cccc(F)c1)c1ccco1 240836 CRFVCSSNFZFGDB-UHFFFAOYSA-N 205.188 2.671 0 50 BFAA C[C@H]1CCC[C@H](NC(=O)c2ccccc2)C1 406291 BSTHPONDLDGVEB-AAEUAGOBSA-N 217.312 2.995 0 50 BFAA COc1cccc(F)c1C(=O)NC1CCCC1 409515 BGUIIOVAKSHPDT-UHFFFAOYSA-N 237.274 2.507 0 50 BFAA Clc1cccc(OCCn2ccnc2)c1 431619 VPAOHFJUGCBTIC-UHFFFAOYSA-N 222.675 2.616 0 50 BFAA Cc1cc(C)c(OCCn2ccnc2)c(C)c1 433429 ZKXCMIQDIDVXPD-UHFFFAOYSA-N 230.311 2.887 0 50 BFAA CSc1ccccc1NC(=O)c1cc(C)on1 1056681 HSUMTEXRZRJVAY-UHFFFAOYSA-N 248.307 2.957 0 50 BFAA Cc1cc(Cl)ncc1Br 2585534 ISESOOISZHSENQ-UHFFFAOYSA-N 206.470 2.806 0 50 BFAA in-vitro Clc1cncc(Oc2ccccc2)n1 3165148 BXNWVXLGFGUJOW-UHFFFAOYSA-N 206.632 2.922 0 50 BFAA in-vitro CC[C@H]1CCc2sc(C(=O)O)cc2C1 3887671 NBTMCDUVHSBKQZ-ZETCQYMHSA-N 210.298 2.961 0 50 BFAA in-vitro Nc1ccccc1[C@H]1NCCc2ccccc21 34416323 WRDSJOCZQDJYRU-HNNXBMFYSA-N 224.307 2.504 0 50 BFAA Brc1cccc(-c2ncc[nH]2)c1 37974129 NVNCBJALMQWYAO-UHFFFAOYSA-N 223.073 2.839 0 50 BFAA OCCC[C@]1(O)CCCC[C@@H]1c1ccccc1 43762873 GXIZSEVMWHKCPA-HUUCEWRRSA-N 234.339 2.848 0 50 BFAA S=C1O[C@@H]2[C@H](O1)C13CC=CCC21CC=CC3 45027668 SRGFULQHILKTAT-ASZHBFLOSA-N 234.320 2.742 0 50 BFAA c1ccc(-c2ccnc(N3CCCC3)n2)cc1 67320821 QHMSWZMAROGSNQ-UHFFFAOYSA-N 225.295 2.744 0 50 BFAA Cc1cc2c(c(-c3cccs3)c1)O[C@@H](CN)C2 67726994 XIMRFKOFSGBVOQ-LLVKDONJSA-N 245.347 2.986 0 50 BFAA in-vitro CC(C)n1cc(CC(=O)O)c2ccccc21 72220573 FVXAMIIYSHWIFD-UHFFFAOYSA-N 217.268 2.849 0 50 BFAA biogenic,in-vitro CCCc1cc(C(=O)NC2CCCCCC2)[nH]n1 105639682 JNDMHMCBXTYRQA-UHFFFAOYSA-N 249.358 2.815 0 50 BFAA CN(Cc1ncc[nH]1)Cc1ccc(Cl)s1 109826374 YEHXPYVTFDYZMP-UHFFFAOYSA-N 241.747 2.757 0 50 BFAA Cc1cc(N(C)C)cc(F)c1Br 116942202 KMFPUJLTLWPLJK-UHFFFAOYSA-N 232.096 2.963 0 50 BFAA Cc1[nH]ccc1C(=O)N1CC[C@H](C)C[C@H](C)C1 163141907 UWFKFOUCJKSKRU-QWRGUYRKSA-N 234.343 2.831 0 50 BFAA O=C(O)c1nc2c(F)cccc2n1C1CCC1 255190234 VTOXKMNBMBCNHU-UHFFFAOYSA-N 234.230 2.599 0 50 BFAA CC(C)c1cccc(CNC(=O)NCCF)c1 408515551 YPQHWAXAMITESM-UHFFFAOYSA-N 238.306 2.579 0 50 BFAA Cc1cc2c[nH]nc2cc1[C@@H]1CC[C@@H](C)NC1 757209079 FQPWDJGSXDJMFT-GHMZBOCLSA-N 229.327 2.727 0 50 BFAA Cc1nc2ccccn2c1-c1n[nH]c(C(C)C)n1 1776005892 OQZITDNXPKQUNC-UHFFFAOYSA-N 241.298 2.551 0 50 BFAA CCOC(=O)c1cc(-c2cccs2)on1 123358 YPIUQIUZEYMWAX-UHFFFAOYSA-N 223.253 2.580 0 50 BFAA CC[C@H](C)C(=O)Nc1ccccc1OC 365439 NTSGYPDPZDEYJM-VIFPVBQESA-N 207.273 2.680 0 50 BFAA CC[C@H](C)OC(=O)c1[nH]c2c(c1C)C(=O)CCC2 427705 CNNMTGOUQGHWQB-QMMMGPOBSA-N 249.310 2.797 0 50 BFAA OCc1ccc(Sc2nc3ccccc3[nH]2)o1 469959 PZHJFIJSJBMKBK-UHFFFAOYSA-N 246.291 2.799 0 50 BFAA CCCCNC(=O)/C=C/c1ccccc1 1677067 PFJWWVNCWHBPJL-MDZDMXLPSA-N 203.285 2.616 0 50 BFAA COc1ccc2cc([C@@H](C)O)ccc2c1 2382886 OUVJWFRUESFCCY-SECBINFHSA-N 202.253 2.902 0 50 BFAA in-vitro NCC1c2ccccc2CCc2ccccc21 2383242 YJCNPACNIAQKNY-UHFFFAOYSA-N 223.319 2.876 0 50 BFAA NCCc1cccc(OCc2ccccc2)c1 2598945 STZMTXBXSFWOBA-UHFFFAOYSA-N 227.307 2.767 0 50 BFAA COC[C@H](C)NC(=O)c1ccc(C(C)(C)C)cc1 4600619 ANRVIHFQWAMHSD-NSHDSACASA-N 249.354 2.749 0 50 BFAA Cc1ccccc1NC(=O)N[C@@H](C)[C@@H]1CCCO1 6726191 DHHJFEJPNKVFIM-AAEUAGOBSA-N 248.326 2.684 0 50 BFAA CC(C)Oc1ccccc1O[C@H]1CCCNC1 12359731 QCCYVFAQQRSICD-LBPRGKRZSA-N 235.327 2.605 0 50 BFAA COc1ccc(Nc2cc(C(=O)O)ccn2)cc1 19844530 NFNZDFAVQAEUDV-UHFFFAOYSA-N 244.250 2.532 0 50 BFAA COc1cnc(Cl)cc1Br 38536947 ROFQXQOLLAPAOR-UHFFFAOYSA-N 222.469 2.506 0 50 BFAA in-vitro O=C1C[C@H]2C[C@H]1C=CC21SCCCS1 101054660 PQIDCPLPUJEUQL-RKDXNWHRSA-N 226.366 2.718 0 50 BFAA CC(C)(C)[C@H]1CCC[C@H]1NCc1cc[nH]n1 414536118 MPCYOKRSVIYQNK-NWDGAFQWSA-N 221.348 2.714 0 50 BFAA CC(C)(O)[C@@H]1CCN(Cc2ccc(Cl)o2)C1 670450939 SBCBCAKHENWQQV-SECBINFHSA-N 243.734 2.526 0 50 BFAA Cc1cc(-c2ccccc2)[n+]2oc(C)cc2n1 80989 QUULLPWVDXWJSW-UHFFFAOYSA-N 225.271 2.697 0 50 BFAA c1cc2c3c(cccc3c1)C(N1CCOCC1)=N2 127455 ZAFFOYFXCGQCEV-UHFFFAOYSA-N 238.290 2.564 0 50 BFAA O=C(O)[C@@H]1C[C@@H]1c1ccc(Br)cc1 215399 DPBUJVBXRABXRH-RKDXNWHRSA-N 241.084 2.637 0 50 BFAA CN(C)c1ccc(Br)cc1 330697 XYZWMVYYUIMRIZ-UHFFFAOYSA-N 200.079 2.515 0 50 BFAA CN(C)c1cc(Cl)c(O)c(Cl)c1 395144 JJLZFSSGZBVEKS-UHFFFAOYSA-N 206.072 2.765 0 50 BFAA O=C(Nc1ccc(Cl)cc1)NC1CC1 409630 NAWINKOQQUXUFD-UHFFFAOYSA-N 210.664 2.624 0 50 BFAA CC(=O)CC(=O)Nc1ccc(C)c(Cl)c1 449371 WDKGZXXHULCYHG-UHFFFAOYSA-N 225.675 2.566 0 50 BFAA in-vitro CCCNC(=O)Nc1ccc(Cl)cc1 1701535 ZOHMWYYUJMHIGF-UHFFFAOYSA-N 212.680 2.872 0 50 BFAA FC(F)Oc1ccc2[nH]c(=S)[nH]c2c1 3882895 HJMVPNAZPFZXCP-UHFFFAOYSA-N 216.212 2.827 0 50 BFAA biogenic,in-vitro O=C(O)c1ccc2[nH]c(-c3cccs3)nc2c1 4243810 HNBAEALJFFNPFK-UHFFFAOYSA-N 244.275 2.990 0 50 BFAA O=C(O)c1ccc(CNCc2ccsc2)cc1 4842639 JHQXASBGCGEOFX-UHFFFAOYSA-N 247.319 2.736 0 50 BFAA COc1ccc([C@H](O)CCN2CCCCC2)cc1 6484420 FAEOLPBCSZHPCJ-OAHLLOKOSA-N 249.354 2.605 0 50 BFAA CCOC(=O)c1cccc(-n2cccc2)c1 6870175 BOAJVZUYGSTURO-UHFFFAOYSA-N 215.252 2.654 0 50 BFAA CC(C)(C)C(=O)c1cccc(C(=O)O)c1 7023245 ZSIVSNFWFIGKJR-UHFFFAOYSA-N 206.241 2.614 0 50 BFAA O=C(NCc1ccccc1Cl)c1ccoc1 12274753 SNCAGYCPZCECNG-UHFFFAOYSA-N 235.670 2.863 0 50 BFAA Cc1ccc(-c2ncc(CN)s2)cc1 22864215 AHDSBKGTVBGTGL-UHFFFAOYSA-N 204.298 2.577 0 50 BFAA O=C(O)CCc1cc(Br)ccc1F 35688538 PLZWWEAGJMHRRA-UHFFFAOYSA-N 247.063 2.605 0 50 BFAA CC(C)(C)C1=C(C(C)(C)C)[C@H](CO)[C@@H]1CO 43762072 MOMGOSZCJRBXPM-AOOOYVTPSA-N 226.360 2.606 0 50 BFAA CCCN(Cc1ccccc1C)[C@H](CC)CO 55270154 LUXRWZFEAANISU-OAHLLOKOSA-N 235.371 2.978 0 50 BFAA OCc1ccc(-c2ccc(O)cc2)cc1 65339936 ITKOVDPTEKNQEL-UHFFFAOYSA-N 200.237 2.552 0 50 BFAA in-vitro O=C(O)CC1(n2cccc2)CCCCC1 82771091 OMKUPJLWYCTNSQ-UHFFFAOYSA-N 207.273 2.622 0 50 BFAA Cc1ccccc1C(=O)[C@@H](C)N1CCCC1 95705012 ITKKRQLIQITCHA-GFCCVEGCSA-N 217.312 2.662 0 50 BFAA in-vitro Nc1cc(C(F)(F)F)c2cccnc2c1 95802891 DTOADGCDFRAFIE-UHFFFAOYSA-N 212.174 2.836 0 50 BFAA COc1nc(-c2ccccc2)sc1C(=O)O 142596108 BQWBKWFGEHJXHK-UHFFFAOYSA-N 235.264 2.517 0 50 BFAA C[Si](C)(C)c1nc2ccccc2s1 169746915 MNXBVXVIRAIAEG-UHFFFAOYSA-N 207.374 2.842 0 50 BFAA CC(C)CSC[C@@H](C)NCCC(C)(C)O 170599652 BGHWZZXOUNNCLX-LLVKDONJSA-N 233.421 2.515 0 50 BFAA CCOC(=O)C[C@H](C)c1ccc(OC)cc1 176749457 ORAUFGIENZKKPP-JTQLQIEISA-N 222.284 2.752 0 50 BFAA O=C(c1csc(Cl)c1)N1CCCC1 188900268 LGKRGJZMAWQPIE-UHFFFAOYSA-N 215.705 2.638 0 50 BFAA O=C(O)c1c[nH]c2cc(F)c(Cl)cc12 215603591 KQHJHOPBNUMUJO-UHFFFAOYSA-N 213.595 2.659 0 50 BFAA CC(C)(C)Sc1ccc([C@H](N)C(=O)O)cc1 228984157 GMLRFEWSLUWJSU-JTQLQIEISA-N 239.340 2.662 0 50 BFAA CC(C)c1n[nH]cc1-c1ccc2c(c1)OCCO2 426411299 NCBZWBMOYIQELB-UHFFFAOYSA-N 244.294 2.971 0 50 BFAA COc1ccc(-c2ncc(F)c(OC)n2)cc1C 534649801 FSQWGUWLRSMEHE-UHFFFAOYSA-N 248.257 2.608 0 50 BFAA C=CC(=O)N1CC2(CCC2)[C@H]1c1ccco1 888098785 PMNZXGOMIAOZRD-GFCCVEGCSA-N 217.268 2.519 0 50 BFAA Fc1cnc(-c2cnc3cc(F)ccc3c2)nc1 1875248319 KRIRMAOCFSSKCR-UHFFFAOYSA-N 243.216 2.970 0 50 BFAA O=C(O)c1c(F)cccc1C(F)(F)F 56713 LNARMXLVVGHCRP-UHFFFAOYSA-N 208.110 2.543 0 50 BFAA in-vitro O=C(Nc1cccnc1)[C@H]1C[C@@H]1c1ccccc1 140085 WTOILWVPRTVEAN-KGLIPLIRSA-N 238.290 2.824 0 50 BFAA Cc1cc(-c2csc(N)n2)ccc1F 153513 XJPFIMKKTVFXIN-UHFFFAOYSA-N 208.261 2.840 0 50 BFAA in-vitro O=C(O)/C=C/c1cccc(Br)c1 266197 YEMUSDCFQUBPAL-SNAWJCMRSA-N 227.057 2.547 0 50 BFAA biogenic O=Cc1ccc(-c2ccccc2CO)cc1 1259575 UBQIRFAQMBAOQO-UHFFFAOYSA-N 212.248 2.658 0 50 BFAA Cc1cccc(I)c1 1672847 VLCPISYURGTGLP-UHFFFAOYSA-N 218.037 2.600 0 50 BFAA in-vitro COc1cc(Br)c2cc[nH]c2c1 2384056 CZJYKEPYJHPVOD-UHFFFAOYSA-N 226.073 2.939 0 50 BFAA in-vitro CCCCCC[C@H](O)[C@@H](O)CCCC 2576965 COLYTQSCHUMMSR-RYUDHWBXSA-N 202.338 2.869 0 50 BFAA in-vitro C[C@H]1S[C@H](c2ccc(Cl)cc2)NC1=O 2885473 ICYPBIOPOTZPGH-LHLIQPBNSA-N 227.716 2.590 0 50 BFAA CCOC(=O)c1ccc2[nH]c(C)c(C)c2c1 5461869 VQDRHZVLRCGSFX-UHFFFAOYSA-N 217.268 2.961 0 50 BFAA in-vitro CC[C@@H](C)NC(=O)Nc1cccc(F)c1 6700038 YBPXZYQJDTZCLD-MRVPVSSYSA-N 210.252 2.746 0 50 BFAA CC(C)(C)C(=O)COC(=O)c1ccccc1F 12505520 UJYJQOOOUWLZPW-UHFFFAOYSA-N 238.258 2.598 0 50 BFAA CC[C@@H](C)NC(=O)Nc1ccc(NC(C)=O)cc1 13746315 OIHVHMDWOSHIFV-SECBINFHSA-N 249.314 2.565 0 50 BFAA O=C(O)c1cccc(-c2ccccc2O)c1 16947593 OCZVWZVTEQXRPI-UHFFFAOYSA-N 214.220 2.757 0 50 BFAA in-vitro Cc1[nH]c2ccccc2c1CNC1CC1 22863600 OZMWOXZZLFHYAH-UHFFFAOYSA-N 200.285 2.728 0 50 BFAA O=C1C=CCC2(CCCC2)[C@]12CCCO2 43198877 JXVHYGQFCONZFB-ZDUSSCGKSA-N 206.285 2.625 0 50 BFAA Nc1[nH]nc2cc(OCc3ccccc3)ccc12 44699944 ROHXXLOQNTULLE-UHFFFAOYSA-N 239.278 2.724 0 50 BFAA in-vitro CCCOc1cncc(Br)c1 65337592 RPZVZCUMJDFFTE-UHFFFAOYSA-N 216.078 2.633 0 50 BFAA in-vitro C=Cc1cccc(CN(C)Cc2nc(C)no2)c1 67725746 VWVMVJDNMJWWQK-UHFFFAOYSA-N 243.310 2.653 0 50 BFAA CSc1ccc(C(=O)[C@H]2CCCNC2)cc1 67954422 SWWNHQLLFMIIRX-NSHDSACASA-N 235.352 2.591 0 50 BFAA CCC(=O)N[C@H](CC)c1ccc(OC)cc1 70242470 CPDGDEAXHRHURH-GFCCVEGCSA-N 221.300 2.673 0 50 BFAA COC1=N[C@H]2C=Cc3ccccc3[C@H]1C=C2 101036174 CAXDTYIMWMMSFE-WCQYABFASA-N 211.264 2.780 0 50 BFAA Clc1c(Br)ccc2c1CNCC2 138485908 NEYDHMAJPQTGOK-UHFFFAOYSA-N 246.535 2.748 0 50 BFAA CC1=CCC[C@@H](C)[C@H]1CNc1cnn(C)c1 182594326 HZPKTZDXOAGULB-YPMHNXCESA-N 219.332 2.824 0 50 BFAA COCC[C@H](C)NCCCc1ccccc1F 280219687 JBXYVCNAMBOHQO-LBPRGKRZSA-N 239.334 2.773 0 50 BFAA C[C@H]1CCCCCN1C(=O)[C@@H]1C[C@H]2C=C[C@H]1C2 357807424 ZJDFKKKYQKISNU-XDQVBPFNSA-N 233.355 2.990 0 50 BFAA COC(=O)Cc1cc2cc(Cl)ccc2[nH]1 396138545 GGSFBTXRUQXAID-UHFFFAOYSA-N 223.659 2.537 0 50 BFAA Cc1nccn1[C@@H](C)C(=O)N1CCCCCCC1 426523257 VQPIUWVMQTWLHQ-LBPRGKRZSA-N 249.358 2.545 0 50 BFAA O=C(Nc1ccc(Cl)nc1)[C@@]12CCC[C@@H]1C2 710547574 TYYIBDRUCKSDMA-PRHODGIISA-N 236.702 2.864 0 50 BFAA Cc1ccc(-c2nccn2[C@H]2CCC[C@@H]2O)o1 1875250117 YSGXKQCIHIOFFK-QWRGUYRKSA-N 232.283 2.537 0 50 BFAA C=CC(=O)N[C@@H]1C[C@H]2CCCc3cccc1c32 1875366690 UNHRBJUUDIJSSC-DGCLKSJQSA-N 227.307 2.854 0 50 BFAA Cc1cc(NC(=O)Cc2ccccc2)ccc1O 92272 JKHXFOKRSKSXIV-UHFFFAOYSA-N 241.290 2.882 0 50 BFAA COc1ccc(CN2CCCCC2)cc1 278412 DGSQXYGFDGFQLQ-UHFFFAOYSA-N 205.301 2.681 0 50 BFAA CNC(=O)Sc1ccc(Cl)cc1 401790 WJACIPICDGLBKG-UHFFFAOYSA-N 201.678 2.772 0 50 BFAA Cc1nc2cc(Br)ccc2[nH]1 751999 FHDFUQGJYYGLHJ-UHFFFAOYSA-N 211.062 2.634 0 50 BFAA in-vitro O=C(Nc1cnc2ccccc2c1)c1ccncc1 1512201 XAAUKWVHFNDWSO-UHFFFAOYSA-N 249.273 2.882 0 50 BFAA Nc1ccc(Br)cc1OC(F)F 15444650 DXSGAWDYWNGHGR-UHFFFAOYSA-N 238.031 2.633 0 50 BFAA Clc1cnc2[nH]cc(Br)c2c1 16698732 MWDJROWZDUZXBP-UHFFFAOYSA-N 231.480 2.979 0 50 BFAA in-vitro CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)O 19094210 YMERGXVWLWRYGI-ZDUSSCGKSA-N 234.295 2.807 0 50 BFAA O=C(Nc1cccc(F)c1)c1ccc(O)cc1 19839513 GSPMYUWFWNYBFI-UHFFFAOYSA-N 231.226 2.784 0 50 BFAA Cc1cc(Br)c(C=O)cc1F 26893627 RKDXMZSJZPGBRQ-UHFFFAOYSA-N 217.037 2.709 0 50 BFAA in-vitro O=C(O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 36056708 SHCKKENSUDTLMS-JGVFFNPUSA-N 230.185 2.894 0 50 BFAA in-vitro Cc1n[nH]c([C@@H](C)Oc2cccc(Cl)c2)n1 51018467 VXRAPTHJLFWSEL-SSDOTTSWSA-N 237.690 2.907 0 50 BFAA Cc1ccc(-c2cnn3c(O)cc(C)nc23)cc1 100756872 JRCLHWJYFMEWTD-UHFFFAOYSA-N 239.278 2.719 0 50 BFAA Cc1nccc(N[C@@H](C)c2ncc(C)s2)n1 125195164 KYWSRQMXHPKQIX-QMMMGPOBSA-N 234.328 2.723 0 50 BFAA CC(C)Cc1cc(CN)nn1-c1ccccc1 167340936 ZZYRCBGSWDCGLB-UHFFFAOYSA-N 229.327 2.530 0 50 BFAA Cc1ccc(C)c(C(=O)N2CCC[C@@H]2C)c1 173128594 NFTWYLMZNKOFGF-LBPRGKRZSA-N 217.312 2.928 0 50 BFAA Cc1ccc(F)cc1COCc1ncc[nH]1 188231974 UIIHLVWGINTAQZ-UHFFFAOYSA-N 220.247 2.574 0 50 BFAA O=C(O)c1cc2cc(C3CC3)ccc2[nH]1 238687025 HYFDZIHPJSTLBY-UHFFFAOYSA-N 201.225 2.744 0 50 BFAA CC(C)[C@H]1CC[C@H](C(=O)Nc2ncccn2)CC1 270004529 ZXDIDUJXXJPALC-HAQNSBGRSA-N 247.342 2.878 0 50 BFAA OCCN1CCC[C@H]1[C@@H]1CCCc2ccccc21 371884958 XGAVHBZTBKGHJF-CVEARBPZSA-N 245.366 2.563 0 50 BFAA COc1ccc(-c2c(C3CC3)n[nH]c2C)cn1 534639226 KUCCIGWNWJHVOQ-UHFFFAOYSA-N 229.283 2.666 0 50 BFAA Cc1cccc(CNc2cc(CO)ccn2)c1C 585116568 BECXQFBDRXPCTO-UHFFFAOYSA-N 242.322 2.803 0 50 BFAA Oc1ccc(/C=C/Br)c(F)c1 685963998 NGTYDTMECDSFCY-ONEGZZNKSA-N 217.037 2.897 0 50 BFAA Cc1ccc(C(=O)N2CC=C[C@H]2C(C)C)cc1O 1857689134 GWGUDWJEHRRXPK-ZDUSSCGKSA-N 245.322 2.737 0 50 BFAA CC1(C)Cc2nc3ccccc3c(N)c2[C@H](O)C1 190788 PRLZBYKCDLTUIG-GFCCVEGCSA-N 242.322 2.823 0 50 BFAA CCC(CC)NCc1ccc(OC)cc1OC 263072 ABKLHMFETKGKJI-UHFFFAOYSA-N 237.343 2.982 0 50 BFAA Cc1ccc(/C=C/C(=O)NC2CCCC2)o1 376605 DKJPZLGNNHCCCB-CMDGGOBGSA-N 219.284 2.660 0 50 BFAA COc1ccc(C(=O)Nc2ccc(O)cc2)cc1 408583 FIPXHELNPLCOPK-UHFFFAOYSA-N 243.262 2.653 0 50 BFAA O=C(Nc1ccc(O)cc1)NC1CCCCC1 409021 RQLAWYIMRBTCHU-UHFFFAOYSA-N 234.299 2.846 0 50 BFAA in-vitro CC[C@]1(C)NC(=S)N(c2ccc(C)c(C)c2)N1 462741 YPIPNSXZWPPCJX-CYBMUJFWSA-N 249.383 2.629 0 50 BFAA C[C@@H](Oc1ccc2ccccc2c1)C(=O)O 967843 HMIVVAPMRQMNAK-SECBINFHSA-N 216.236 2.692 0 50 BFAA biogenic,in-vitro Clc1cccc(-c2nn3cnnc3s2)c1 2218968 RLLHSNUODGKJDR-UHFFFAOYSA-N 236.687 2.506 0 50 BFAA Cc1csc(C(=O)O)c1-n1cccc1 4108446 DNMVATVOBPDINI-UHFFFAOYSA-N 207.254 2.545 0 50 BFAA C[C@H](Oc1cccc(Cl)c1Cl)C(=O)O 4201341 NWUQBIJTVNMDKJ-YFKPBYRVSA-N 235.066 2.845 0 50 BFAA C[C@H]1C[C@@H](NCc2ccccc2)[C@H](C)CN1C 4298770 WSVFANOWQHGVOH-VNHYZAJKSA-N 232.371 2.505 0 50 BFAA CC(C)CNC(=O)c1cc2ccccc2o1 6702507 DXKGFEVQQLRWBF-UHFFFAOYSA-N 217.268 2.819 0 50 BFAA COc1cccc(C(=O)Nc2ccccc2O)c1 9478782 GQULMMUQHDXJKT-UHFFFAOYSA-N 243.262 2.653 0 50 BFAA FCCCOc1ccc([C@H]2NCCS2)cc1 12336769 YJMNOVGUJOGKGS-LBPRGKRZSA-N 241.331 2.760 0 50 BFAA Cc1cnc(NC(=O)c2ccoc2C)s1 12937370 UICYLOONCZBULH-UHFFFAOYSA-N 222.269 2.605 0 50 BFAA CCN(CC)c1cccc(Cl)c1CN 20469566 RFJNYRHCJBCEFM-UHFFFAOYSA-N 212.724 2.645 0 50 BFAA c1cc2n(c1)CCN=C2C1CCCCC1 23549805 VMODTBKEIYRKGR-UHFFFAOYSA-N 202.301 2.871 0 50 BFAA COC(=O)c1ccc(C(F)(F)F)nc1Cl 47202295 OFOKILFDGSZHKO-UHFFFAOYSA-N 239.580 2.540 0 50 BFAA in-vitro CC(C)(C)OC(=O)N1CC[C@@H](N)c2ccccc21 82318984 SBMGKXNAGCGTTA-LLVKDONJSA-N 248.326 2.832 0 50 BFAA COC(OC)c1c(F)cccc1Br 95496021 PKIZATGPJNVPSE-UHFFFAOYSA-N 249.079 2.880 0 50 BFAA in-vitro CC(C)n1cncc1CN(C)[C@@H](C)c1ccon1 97797455 NGDKQZPSBMVTNA-NSHDSACASA-N 248.330 2.645 0 50 BFAA C[C@@H](NC(=O)c1ccco1)[C@@H]1C[C@H]2CC[C@H]1C2 101752515 TWAOWPQGQVRSDB-RHYQMDGZSA-N 233.311 2.834 0 50 BFAA C[C@@H]1CC(=O)CCN1[C@H](C)c1ccccc1 215629704 XOGIRAQPVLKDBV-VXGBXAGGSA-N 217.312 2.801 0 50 BFAA Brc1ncc(C2CCC2)o1 258030263 IOQLUHWCFBTWQP-UHFFFAOYSA-N 202.051 2.705 0 50 BFAA Cc1cc(C)c2c(c1)CN(c1ncccn1)CC2 274977372 JJQUVRFTLGMDEV-UHFFFAOYSA-N 239.322 2.656 0 50 BFAA CCC[C@@H]1CCC[C@@H]1C(=O)NCc1c[nH]nc1C 294547396 YEBSITSIMTXYOW-YPMHNXCESA-N 249.358 2.551 0 50 BFAA C[C@@H](NCCCn1cc(Cl)cn1)C1CCC1 379102338 OWJZGUYNKXRSMV-SNVBAGLBSA-N 241.766 2.705 0 50 BFAA Cc1ccc2c(c1)CCN(c1ccnc(O)c1)C2 1857528487 QUDPUYCNKDGMET-UHFFFAOYSA-N 240.306 2.658 0 50 BFAA C=CC(=O)Nc1ccccc1[C@@H]1CC1(F)F 1875367937 BFLNYJBTUHYUEM-VIFPVBQESA-N 223.222 2.934 0 50 BFAA C=CC(=O)Nc1cc(F)cc(OC(C)C)c1 1875368374 MOUTXHUZFCIHCJ-UHFFFAOYSA-N 223.247 2.737 0 50 BFAA CCOC(=O)c1cc2cc(C)cc(C)c2[nH]1 114590 SXEYVWBHOFEEOQ-UHFFFAOYSA-N 217.268 2.961 0 50 BFAA CCc1ccc(C(=O)Nc2nccs2)cc1 188367 QZWNBKBVTQVBKO-UHFFFAOYSA-N 232.308 2.958 0 50 BFAA O=C(O)CCCC(=O)Nc1ccc(Cl)cc1 241739 WWDMQLBWGBGYGS-UHFFFAOYSA-N 241.674 2.533 0 50 BFAA CCOC(=O)C(C)(C)Oc1ccc(F)cc1 1459228 ZJHCNYOAUVMIOW-UHFFFAOYSA-N 226.247 2.546 0 50 BFAA O=c1c(-c2ccccc2)c(-c2ccccc2)c1=O 1712286 WRLLWXGPZKAASP-UHFFFAOYSA-N 234.254 2.617 0 50 BFAA NC[C@H](c1ccccc1)c1ccc(F)cc1 2576602 BQCBHPSVAJAMFB-CQSZACIVSA-N 215.271 2.916 0 50 BFAA CC(C)(C)c1ccc(OCCC(=O)O)cc1 2685697 MFWXGILWCBBIOC-UHFFFAOYSA-N 222.284 2.838 0 50 BFAA in-vitro COC(=O)Nc1ccccc1C(F)(F)F 4794863 QGBVXEMPWXTZNG-UHFFFAOYSA-N 219.162 2.884 0 50 BFAA CC(C)C(=O)Nc1ccc(NC(=O)C2CC2)cc1 9230421 KJVPGCKNZSJQQD-UHFFFAOYSA-N 246.310 2.630 0 50 BFAA C[C@H]1CN(Cc2ccc(F)cc2F)C[C@@H](C)O1 12341304 VMZLJDJODGHFPC-AOOOYVTPSA-N 241.281 2.574 0 50 BFAA O=P(O)(O)Cc1ccc2ccccc2c1 26977583 HELZKSLXGDCKJK-UHFFFAOYSA-N 222.180 2.518 0 50 BFAA CC[C@@H](O)c1ccc(-c2cc[nH]n2)cc1 32580992 DUKOJRPFWVFUPQ-GFCCVEGCSA-N 202.257 2.520 0 50 BFAA CCOC(=O)c1cc2ncnc(Cl)c2s1 35269721 VHIFKIGWDFTRLD-UHFFFAOYSA-N 242.687 2.521 0 50 BFAA CN(C)CCc1cccc(Br)c1 40834477 GYUROIYIUNTCGL-UHFFFAOYSA-N 228.133 2.553 0 50 BFAA COc1cc(C)cc(-c2ccc(C)nn2)c1OC 97505305 RIZBEZSFRYGKST-UHFFFAOYSA-N 244.294 2.778 0 50 BFAA C1CN(CC23CC4C[C@H](CC[C@@H](C4)C2)C3)CCO1 100726869 CJUFPPXAFDHYKJ-FXQLRMTLSA-N 249.398 2.925 0 50 BFAA Cc1ccc(C(=O)O)c(F)c1Br 116822553 GZWACXGVBBELRA-UHFFFAOYSA-N 233.036 2.595 0 50 BFAA C[C@@H](c1ccoc1)N1CCC[C@@H](N2CCCC2)C1 221904021 OGFHURSPWBZXCM-DZGCQCFKSA-N 248.370 2.901 0 50 BFAA C[C@@H]1[C@@H](NC(=O)c2ccco2)CCC[C@H]1C 245228348 RZGCUTGKLOKALL-VWYCJHECSA-N 221.300 2.834 0 50 BFAA CC1=C(c2ccco2)CN(C(=O)[C@@H]2C[C@@H]2C)CC1 253392178 QBOJTNKCMHCVNI-NWDGAFQWSA-N 245.322 2.941 0 50 BFAA C[C@]1(F)C[C@H](C(=O)OCc2ccccc2)C1 306917524 ZMSABYXKKSYNSC-AULYBMBSSA-N 222.259 2.868 0 50 BFAA Cc1cc(N2CCC(O)CC2)nc2ccccc12 244893 PBODOLYEBSHHSA-UHFFFAOYSA-N 242.322 2.504 0 50 BFAA CN(C)Cc1ccccc1[C@H](O)c1ccccc1 2469016 OBNXQHGFWUMHCO-MRXNPFEDSA-N 241.334 2.830 0 50 BFAA CCC(=O)Nc1sc(C)c(CC)c1C(=O)O 4652234 DGAFJNPMVSRNRP-UHFFFAOYSA-N 241.312 2.666 0 50 BFAA CCCNC(=O)c1ccccc1Br 4676198 XNIZYPMLUVRLJS-UHFFFAOYSA-N 242.116 2.589 0 50 BFAA in-vitro Cc1sc2nc[nH]c(=O)c2c1-c1ccccc1 11919314 RKCANXOFEMKLEZ-UHFFFAOYSA-N 242.303 2.960 0 50 BFAA CC[C@H](C)NC(=O)N[C@H](C)c1ccc(F)cc1 13746407 QXEBSCYDVKOQAI-VHSXEESVSA-N 238.306 2.984 0 50 BFAA C[C@@H]1Cc2c(Br)cccc2C1=O 22863136 AHMJTIYXKJRVFF-ZCFIWIBFSA-N 225.085 2.824 0 50 BFAA in-vitro CN[C@]1(c2ccccc2C)CCCCC1=O 71782649 DFZAIVLIQFZJJL-AWEZNQCLSA-N 217.312 2.553 0 50 BFAA Cc1cc2sc(N)nc2cc1-c1cncnc1 96180037 MMFRPSBPDMCGHI-UHFFFAOYSA-N 242.307 2.644 0 50 BFAA Cc1ccccc1-n1nc(C(F)(F)F)cc1O 100070280 LKCKZXWQWHKDPT-UHFFFAOYSA-N 242.200 2.905 0 50 BFAA CCCOC(=O)[C@@H](C)N(C)C1CCCCCC1 170639681 NHHHITDBJRCZGP-GFCCVEGCSA-N 241.375 2.983 0 50 BFAA Oc1cc(Cl)cc(Br)c1F 216701834 NPKWKIGBWZJFJS-UHFFFAOYSA-N 225.444 2.947 0 50 BFAA CC[C@H]1OCCC[C@@H]1C(=O)Nc1cccnc1C 277036755 OSGJLJCZFGEVHO-WCQYABFASA-N 248.326 2.534 0 50 BFAA CC1=C(CN2C[C@@H](O)[C@H](F)C2)C(C)(C)CCC1 952967848 DSHLNTGQCIQZGS-CHWSQXEVSA-N 241.350 2.528 0 50 BFAA O=C1NCc2cccc(-c3ccc(F)cc3F)c21 1239677729 NYPZDTDMIDVEQN-UHFFFAOYSA-N 245.228 2.875 0 50 BFAA CC(C)(C)C(=O)N1N=CC[C@H]1c1ccccc1 1771591525 NJQVSLWJBLPTMD-LBPRGKRZSA-N 230.311 2.992 0 50 BFAA c1cncc(-c2nccn2[C@H]2CCSC2)c1 1875247090 QMOBNFVGDLEJGZ-NSHDSACASA-N 231.324 2.623 0 50 BFAA O=C(Nc1nccs1)[C@H]1C[C@@H]1c1ccccc1 196537 ZOOMNALRJFPRHO-MNOVXSKESA-N 244.319 2.885 0 50 BFAA CC1=CC[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2C1 218343 LLSPPAAEVAOBTN-QWHCGFSZSA-N 247.338 2.660 0 50 BFAA Cc1ccc(-n2nc(C)c(N)c2C)cc1C 333521 WAZLPGOKBPVXOC-UHFFFAOYSA-N 215.300 2.688 0 50 BFAA c1ccc2c([C@H]3CCCCN3)c[nH]c2c1 2003068 ZAOROLLUGHLEDW-CYBMUJFWSA-N 200.285 2.983 0 50 BFAA in-vitro C=Cc1ccc(I)cc1 2507826 KWHSBYQFELZKKS-UHFFFAOYSA-N 230.048 2.934 0 50 BFAA in-vitro CC(=O)NCCSCc1ccccc1Cl 2985400 RKFKUNIHFYCXBA-UHFFFAOYSA-N 243.759 2.709 0 50 BFAA Cc1ccc2[nH]c3c(c2c1)CCC[C@]3(C)C(N)=O 4030552 GFJVQPVBWHGBRJ-HNNXBMFYSA-N 242.322 2.556 0 50 BFAA CSc1nc(Cl)ncc1Br 16123679 GSIMJSNRAAYBOG-UHFFFAOYSA-N 239.525 2.614 0 50 BFAA in-vitro OC[C@H]1CCCCN1C1CCCCCC1 23282994 IVQAYCMXIISQCF-CYBMUJFWSA-N 211.349 2.556 0 50 BFAA COC(=O)C1(c2cccc(OC)c2)CCCC1 44124293 YHFGKMAGFLAVBB-UHFFFAOYSA-N 234.295 2.680 0 50 BFAA Fc1ccc(CC[C@H]2CCCNC2)c(F)c1 51074280 IGEYUVDTZHNNHA-SNVBAGLBSA-N 225.282 2.897 0 50 BFAA COc1cc(F)ccc1-c1cccc([C@@H](C)O)n1 96148083 JLUJQEGYONOMNY-SECBINFHSA-N 247.269 2.950 0 50 BFAA Cc1cccc(NC(=O)CN2[C@@H](C)CC[C@@H]2C)c1 120131338 JUXLVTRBXCBTHN-STQMWFEESA-N 246.354 2.806 0 50 BFAA CC1=CCC[C@H](C)[C@@H]1CNC[C@@H](C)CCO 152610291 GAKCVXHXPKZVEE-FPMFFAJLSA-N 225.376 2.587 0 50 BFAA Cc1[nH]ccc1C(=O)N1CC[C@@H](C)C[C@H](C)C1 163142014 UWFKFOUCJKSKRU-MNOVXSKESA-N 234.343 2.831 0 50 BFAA CCOC(=O)[C@@H]1CC12CCC(F)(F)CC2 222996386 ZKUILEVFEBZJLG-QMMMGPOBSA-N 218.243 2.765 0 50 BFAA in-vitro Cc1cc(Cl)cc2[nH]c(C(=O)O)cc12 235795600 GRUMAUQDNDQXFH-UHFFFAOYSA-N 209.632 2.828 0 50 BFAA CO[C@H](C)c1cccc(-c2ccc(C(N)=O)o2)c1 426730283 CTDGBRQQYCMFNQ-SECBINFHSA-N 245.278 2.753 0 50 BFAA Cc1ncccc1-c1c(F)cncc1F 669379914 IMLZMAUXYHWCMT-UHFFFAOYSA-N 206.195 2.730 0 50 BFAA CCN1c2cc(F)ccc2C[C@@H]1c1ncc[nH]1 685944340 IWLIKZLTJQBGPW-GFCCVEGCSA-N 231.274 2.673 0 50 BFAA CC[C@H]1CCC(=O)C[C@H]1N1CCCCC1 725362699 VPJWFBJWMPOCKQ-WCQYABFASA-N 209.333 2.620 0 50 BFAA COCC1(CNc2ccc(C(C)C)nn2)CCC1 1506421975 MIVWTQUGIPYHBQ-UHFFFAOYSA-N 249.358 2.829 0 50 BFAA C=CC(=O)N[C@H](C)C1(c2ccccc2)CCC1 1776007164 VCZPMSPPAKPSHY-GFCCVEGCSA-N 229.323 2.799 0 50 BFAA c1cc(-c2nccn2[C@H]2CCSC2)ccn1 1875251525 RBCBPGQKERZCQT-NSHDSACASA-N 231.324 2.623 0 50 BFAA Cc1cc(Cl)cc(C)c1C(=O)N1CCC1 2325766263 MJRJMXBVJUGTKF-UHFFFAOYSA-N 223.703 2.803 0 50 BFAA COC(=O)c1ccc(CN2CCCCCC2)cc1 212330 WFXQUHLYUUGBKS-UHFFFAOYSA-N 247.338 2.849 0 50 BFAA O=Cc1cn(-c2ccccc2)nc1-c1ccco1 383379 OWMSNTKNRDZUFA-UHFFFAOYSA-N 238.246 2.945 0 50 BFAA Cc1nc(C)c(C(=O)NC2CCCCC2)s1 1330442 CBYVEDVMPZUJSG-UHFFFAOYSA-N 238.356 2.822 0 50 BFAA CN(C)C(=O)Nc1cccc(C(F)(F)F)c1 2038834 RZILCCPWPBTYDO-UHFFFAOYSA-N 232.205 2.799 0 50 BFAA biogenic,in-vitro Cc1c(C(=O)O)cccc1C(F)(F)F 2382288 SSCFPSMXIDAJDT-UHFFFAOYSA-N 204.147 2.712 0 50 BFAA in-vitro CC(C)(C)OC(=O)Nc1ccc(C=O)cc1F 2512967 QQWNYOVSVMTGAY-UHFFFAOYSA-N 239.246 2.985 0 50 BFAA COCc1cc(Br)ccc1F 2528590 VYZYGWURKGSBFI-UHFFFAOYSA-N 219.053 2.735 0 50 BFAA O[C@@H](c1ccc(Cl)cc1)C(F)(F)F 4578895 DONAZKZEGGHKRH-ZETCQYMHSA-N 210.582 2.936 0 50 BFAA in-vitro Sc1nnc2c(n1)-c1cccc3cccc-2c13 7000921 YNQCVAHPQMRJIQ-UHFFFAOYSA-N 237.287 2.961 0 50 BFAA Clc1nnc(Cl)c2sccc12 11919435 YGYFCYSNQMVWKS-UHFFFAOYSA-N 205.069 2.998 0 50 BFAA in-vitro CC(C)(N)c1ccc(C(F)(F)F)cc1 20357672 BZZQAWGDEQZOOF-UHFFFAOYSA-N 203.207 2.899 0 50 BFAA NC[C@@H](c1ccc(Cl)cc1)N1CCCCC1 32445523 SUBRFDLWSDKKPS-ZDUSSCGKSA-N 238.762 2.826 0 50 BFAA Cc1[nH]c(-c2ccc(F)cc2)cc1C(=O)O 41232245 JTBLCTARJWHPQQ-UHFFFAOYSA-N 219.215 2.827 0 50 BFAA in-vitro CC[C@@H](c1cccc(O)c1)[C@@H](C)CNC 65739999 PQQINTFVECNXLC-GXFFZTMASA-N 207.317 2.741 0 50 BFAA world NCCc1ccccc1-c1ccc(O)cc1 67816993 CSNDHYDZDWVHGC-UHFFFAOYSA-N 213.280 2.560 0 50 BFAA CC(C)(C)OC(=O)Nc1cc(F)ccc1N 89065085 FELBQUPQCJZQQX-UHFFFAOYSA-N 226.251 2.755 0 50 BFAA in-vitro CC[C@H](C)[C@@H](C)Nc1ccc2c(c1)C(=O)NC2 170592621 YIQWXTNPQVPNDK-VHSXEESVSA-N 232.327 2.777 0 50 BFAA Cc1nnc(-c2cccc(-c3cn[nH]c3)c2)s1 199291525 YRAIRNOPBHPQBZ-UHFFFAOYSA-N 242.307 2.904 0 50 BFAA FC(F)(F)Oc1cccc(-c2ccn[nH]2)c1 205363139 CYWFSRDCOSBDDJ-UHFFFAOYSA-N 228.173 2.975 0 50 BFAA C1=CC[C@@H](CN2CCC[C@@H](c3ccn[nH]3)C2)CC1 216073171 QMHUOLWEAZBZEX-ZIAGYGMSSA-N 245.370 2.945 0 50 BFAA Cc1nocc1CNc1ccccc1F 335929585 YQSRYJRMNITGME-UHFFFAOYSA-N 206.220 2.734 0 50 BFAA CO[C@@H]1CCN(CCCCOc2ccccc2)C1 361373037 RETPGJXBIFIOIQ-OAHLLOKOSA-N 249.354 2.566 0 50 BFAA Cc1ccncc1[C@H](C)N[C@@H](C)c1nccn1C 678770299 LCTJIIZXCOPGIL-RYUDHWBXSA-N 244.342 2.535 0 50 BFAA COc1nscc1-c1cccc(CO)c1C 911595265 BOMWAMWHNNCETR-UHFFFAOYSA-N 235.308 2.619 0 50 BFAA Cc1ccc(-c2nccn2[C@H]2CCCC[C@@H]2O)o1 1875245912 DLNCSCMOWVGFIY-RYUDHWBXSA-N 246.310 2.928 0 50 BFAA Cc1cc(NC(=O)NC2CC3(CC3)C2)cnc1C 1875297309 KRZLOPWPZZWBBH-UHFFFAOYSA-N 245.326 2.763 0 50 BFAA C=CC(=O)NC1CCC(n2c(C)ccc2C)CC1 1875366703 XZSWGRNGZMYYCO-UHFFFAOYSA-N 246.354 2.891 0 50 BFAA CCCc1cc(=O)oc2c(C)c(O)ccc12 186448 USMHZBPZJSVWSJ-UHFFFAOYSA-N 218.252 2.760 0 50 BFAA biogenic,in-vitro O=C(Nc1cccnc1)Oc1ccccc1 188301 ZBELOBHZQGHUNR-UHFFFAOYSA-N 214.224 2.693 0 50 BFAA in-vitro COC(=O)c1cc(-c2ccc(Cl)cc2)no1 266314 MWTYUSPVRACXJH-UHFFFAOYSA-N 237.642 2.782 0 50 BFAA Cc1ccccc1CNC(=O)c1ccccc1 289688 VGIAIOZJXQPRJP-UHFFFAOYSA-N 225.291 2.925 0 50 BFAA biogenic O=C(CCCc1ccccc1)N1CCCC1 304031 ZFDOVNFQBWOVDN-UHFFFAOYSA-N 217.312 2.632 0 50 BFAA CCN(CC)C(=O)Nc1cccc(OC)c1 395429 IGJPCCKVPXYJBU-UHFFFAOYSA-N 222.288 2.569 0 50 BFAA COc1cccc(OCCN2CCC[C@H](C)C2)c1 460671 MAZMLQUUTDCCJQ-ZDUSSCGKSA-N 249.354 2.806 0 50 BFAA O=C1[C@H]2CCC[C@H]1[C@H](N1CCCCC1)CC2 586435 RVZATTSXQJHIRB-RWMBFGLXSA-N 221.344 2.620 0 50 BFAA Cc1ccc(NC(=O)c2cccs2)nc1 869722 VILMXJBASVKLLO-UHFFFAOYSA-N 218.281 2.704 0 50 BFAA Cc1cc(C(=O)O)c2ccc(C)c(C)c2n1 875130 HRQOZCJRHHXDEK-UHFFFAOYSA-N 215.252 2.858 0 50 BFAA in-vitro COc1ccc(-c2csc(CN)n2)cc1C 3710452 QQHSURXAAVNPKY-UHFFFAOYSA-N 234.324 2.586 0 50 BFAA CC(C)(C)NCc1nc(-c2ccccc2)no1 4487186 PKZAQZXLDJEHKF-UHFFFAOYSA-N 231.299 2.625 0 50 BFAA Cc1cccc(Cn2nnc3ccccc32)c1 4487634 YAWKUAOZLUPNMI-UHFFFAOYSA-N 223.279 2.788 0 50 BFAA CC1(C)OC(=O)C[C@@H]1C=C(Cl)Cl 4800347 COKNOMNYGGDKQI-YFKPBYRVSA-N 209.072 2.647 0 50 BFAA Nc1ccc(/C=C/c2cccc(C(=O)O)n2)cc1 5048077 QASPDWZDKLUOPO-RMKNXTFCSA-N 240.262 2.532 0 50 BFAA Cc1ccccc1[S@](=O)c1ccccn1 5784833 AUARSJQNSXZDJK-OAHLLOKOSA-N 217.293 2.557 0 50 BFAA CCc1n[nH]c(=S)n1-c1cccc(F)c1 6395606 OGRNBDJDUXDQGR-UHFFFAOYSA-N 223.276 2.631 0 50 BFAA Fc1ccc(Cc2ccnc(Cl)n2)cc1 34924956 YENNICMWSFFCQH-UHFFFAOYSA-N 222.650 2.860 0 50 BFAA O=C(O)CCn1ccc2ccc(Cl)cc21 36947659 LLEYHJBTSQUOOP-UHFFFAOYSA-N 223.659 2.769 0 50 BFAA in-vitro C[C@H]1Cc2ccc(Br)cc2C1=O 38997815 GMJKJIUETGRADG-LURJTMIESA-N 225.085 2.824 0 50 BFAA in-vitro Oc1ccc2ncc(Br)cc2c1F 98213233 RSKALZMTGBDQOA-UHFFFAOYSA-N 242.047 2.842 0 50 BFAA CN1CC[C@](O)(c2ccccc2)[C@@H]2CCCC[C@H]21 229980629 KKGRMEVELZFAQV-OAGGEKHMSA-N 245.366 2.769 0 50 BFAA C1=C(Cc2noc(CC3CCOCC3)n2)CCC1 242346864 ZJUCQXBCCRWCHK-UHFFFAOYSA-N 248.326 2.692 0 50 BFAA C=CC(=O)N[C@H]1CCCCC12CCCC2 307147465 OYJRQALKYGLQFC-NSHDSACASA-N 207.317 2.792 0 50 BFAA N=C(O)c1cn2cc(Cl)cc(Cl)c2n1 335373913 YWMKOYMGFHNAEA-UHFFFAOYSA-N 230.054 2.524 0 50 BFAA O=C(Nc1ccc(F)nc1)[C@@]12CCCC[C@H]1C2 693229627 KIADMWVFIXPGAY-TVQRCGJNSA-N 234.274 2.740 0 50 BFAA C[C@@H]1c2ccsc2CCN1c1cnc(F)cn1 853096345 YHEQCGVEBLEHJP-MRVPVSSYSA-N 249.314 2.801 0 50 BFAA Cc1nc(-c2cccc(CC(=O)O)c2)ccc1F 1250487467 DCSPBKPPTQHCSE-UHFFFAOYSA-N 245.253 2.823 0 50 BFAA C[C@H]1C[C@H](C)CN(C(=O)Cc2ccc(F)cc2)C1 73890 REQIKLMUMQHHKZ-RYUDHWBXSA-N 249.329 2.873 0 50 BFAA NCCc1c[nH]c2c(Cl)ccc(Cl)c12 185700 XHLMZOOENVMDGV-UHFFFAOYSA-N 229.110 2.976 0 50 BFAA biogenic O[C@H]1CCN(Cc2c(Cl)cccc2Cl)C1 217636 GUYMOOVSTCKWJM-QMMMGPOBSA-N 246.137 2.560 0 50 BFAA Cc1ccccc1NC(=O)NCC(C)C 396884 NHDVWASHXOWTKC-UHFFFAOYSA-N 206.289 2.773 0 50 BFAA CN(C)CC(C)(C)CNC1CCCCCC1 757044 QJJZCVAMXARYFP-UHFFFAOYSA-N 226.408 2.887 0 50 BFAA O=C1CSC(=O)N1c1ccc(Cl)cc1 1046081 KSBJKLRNVMFMKE-UHFFFAOYSA-N 227.672 2.540 0 50 BFAA COc1ccccc1Oc1ccc(CN)cc1 2513166 JUBFKTZKEZHQQE-UHFFFAOYSA-N 229.279 2.946 0 50 BFAA in-vitro Fc1cnc(F)c(F)c1C(F)(F)F 2513198 MLFFFTHLIOLZFO-UHFFFAOYSA-N 201.069 2.518 0 50 BFAA in-vitro CCC(CC)NC(=O)c1ccc(OC(C)=O)cc1 4599986 MTJOQSQFZUYBER-UHFFFAOYSA-N 249.310 2.530 0 50 BFAA CC[C@H](C)NCc1nc(-c2cccs2)no1 16649529 QUHTYNLEEAAWMP-QMMMGPOBSA-N 237.328 2.686 0 50 BFAA Cc1cccc(O[C@H](C)c2n[nH]c(=S)n2C)c1 16973688 NLTQFKRQWMFDAF-SECBINFHSA-N 249.339 2.926 0 50 BFAA in-vitro O=C1CC(c2ccccc2)=NN1c1ccccc1 18158601 MZKALFCNIJHTJG-UHFFFAOYSA-N 236.274 2.828 0 50 BFAA c1cnc(N[C@H]2CCCc3ccccc32)nc1 22034762 LUZUFAVGXCCLLD-ZDUSSCGKSA-N 225.295 2.966 0 50 BFAA COc1cncc(-c2cnc3ccccc3n2)c1 32561724 MQUMDRPKFCEIJV-UHFFFAOYSA-N 237.262 2.700 0 50 BFAA Cc1ccccc1C(=O)C(C)(C)N(C)C 44124644 PHRVOZMNJGQHGT-UHFFFAOYSA-N 205.301 2.518 0 50 BFAA c1cc(-c2ccnc(N3CCCCC3)n2)ccn1 67320815 AWUQDYNGCXNASI-UHFFFAOYSA-N 240.310 2.529 0 50 BFAA CSc1nc(-c2c[nH]c3ccc(C)cc23)n[nH]1 96132671 MDLATYNBEFBRIB-UHFFFAOYSA-N 244.323 2.983 0 50 BFAA CC1(C)[C@H]2CC[C@@]1(C)[C@H](SC(=N)N)C2 136456672 FZEFQGSAQNAPBA-RNSXUZJQSA-N 212.362 2.828 0 50 BFAA C[C@@H]1C[C@@]1(Cl)[S@@](=O)c1ccccc1 169724574 BASQNYBLNPBUEJ-JQEORGNBSA-N 214.717 2.769 0 50 BFAA CC(C)CCC(=O)O[C@H](C)CC(C)(C)O 241720843 QSSSNOFLCMCMMP-SNVBAGLBSA-N 216.321 2.515 0 50 BFAA Cc1cc(NC(=O)N[C@@H]2CCC2(C)C)ccn1 287244503 WXJOPMPKYWQHCO-LLVKDONJSA-N 233.315 2.700 0 50 BFAA C=CC(=O)N[C@H](C)[C@@H]1CC2CCC1CC2 307571567 BQJCHZLIIGNQPA-YYJSSNLHSA-N 207.317 2.503 0 50 BFAA O=C(NC[C@@H]1CCCC1(F)F)C1CC=CC1 334531833 GGOFCAQZINDSJW-JTQLQIEISA-N 229.270 2.504 0 50 BFAA Cc1[nH]nc2c1CN([C@@H]1CCC(C)(C)C1)CC2 1857732936 OEOGFURGEKMLKX-LLVKDONJSA-N 233.359 2.655 0 50 BFAA CCc1cccc(C)c1NC(=O)CCCC(=O)O 101824 HQULJSKNKMMDCZ-UHFFFAOYSA-N 249.310 2.751 0 50 BFAA O=C(Nc1nccs1)[C@H]1C[C@H]1c1ccccc1 196538 ZOOMNALRJFPRHO-QWRGUYRKSA-N 244.319 2.885 0 50 BFAA CC(C)(C)[C@@H]1CC(=O)CN(C(C)(C)C)C1 227698 YFNMZOIVRPCXIH-SNVBAGLBSA-N 211.349 2.722 0 50 BFAA COc1ccc(C(=O)Nc2cc(C)ccn2)cc1 408591 GFKWLGIYUXUVEZ-UHFFFAOYSA-N 242.278 2.651 0 50 BFAA Cc1cc(C)cc(C(=O)Nc2cccnc2)c1 512869 VVRRCIVKIJIALN-UHFFFAOYSA-N 226.279 2.951 0 50 BFAA O=C1CCc2c(Br)cccc21 1623473 UVVYFYLSZIMKMC-UHFFFAOYSA-N 211.058 2.578 0 50 BFAA in-vitro CCOC(=O)c1c[nH]cc1-c1ccccc1 2519461 VNZGRYAVCWGZCT-UHFFFAOYSA-N 215.252 2.858 0 50 BFAA in-vitro Cc1cccc(C(=O)OCCN(C)C(C)(C)C)c1 2648421 HTNVIYLHQOAGFT-UHFFFAOYSA-N 249.354 2.882 0 50 BFAA COc1ccc2c3c([nH]c2c1)[C@@H](C)N(N=O)CC3 4773142 NPWLMIGFSUJVOK-MRVPVSSYSA-N 245.282 2.777 0 50 BFAA CC(C)n1cnc2c(Cl)nc(Cl)nc21 22057015 GKEFDRUWUYSFGW-UHFFFAOYSA-N 231.086 2.714 0 50 BFAA in-vitro CCOc1cccc(CNC(=O)c2ccco2)c1 30850600 SLMCHVDJLBUFAK-UHFFFAOYSA-N 245.278 2.608 0 50 BFAA COc1ccccc1-c1cc[nH]c(=S)n1 41231196 AVRLCQGGAXSRJM-UHFFFAOYSA-N 218.281 2.815 0 50 BFAA Cc1cccc(Nc2nc(C)c(C)c(=O)[nH]2)c1C 66324449 PCUVEMROLUFQBC-UHFFFAOYSA-N 243.310 2.747 0 50 BFAA CNc1ncc(-c2ccc(OC)cc2)c(C)n1 110465962 GHWGLTIYLAQOOU-UHFFFAOYSA-N 229.283 2.502 0 50 BFAA C[C@@H](F)C1(C(=O)OCc2ccccc2)CC1 223655075 DGBNTJPQGNDSFR-SNVBAGLBSA-N 222.259 2.868 0 50 BFAA CC(C)(C)[C@@H](NCC(=O)O)c1cccs1 236655874 HBFLIPNNQQTIIO-JTQLQIEISA-N 227.329 2.510 0 50 BFAA O=C(O)c1cccc2c(Cl)cncc12 253496088 CLFRAROCLLCIQQ-UHFFFAOYSA-N 207.616 2.586 0 50 BFAA Cn1cc(-c2ccc(C3CCNCC3)cc2)cn1 498051085 OGJKUKJAPYSUND-UHFFFAOYSA-N 241.338 2.554 0 50 BFAA C=CC(=O)N1CCCSc2ccccc21 848979122 DXNPPLRVVTVXRL-UHFFFAOYSA-N 219.309 2.701 0 50 BFAA CC[C@@H]1C=CCN1C1CCC2(CCNCC2)CC1 952968463 GZHDUEWHPABEOV-CQSZACIVSA-N 248.414 2.949 0 50 BFAA COc1ccc(-c2nncc(C)c2C)cc1F 2100478303 ZUYZKXZRCCAVRQ-UHFFFAOYSA-N 232.258 2.908 0 50 BFAA O=C(O)c1cc(C2CC2)nc2ccccc12 195179 HYOFXKNWXLKLSH-UHFFFAOYSA-N 213.236 2.810 0 50 BFAA biogenic,in-vitro Nc1ccc(Cl)c(NC(=O)c2ccco2)c1 236858 KKOYVDRWJKRGRF-UHFFFAOYSA-N 236.658 2.768 0 50 BFAA Cc1cc(Br)cc(C)c1O 389687 ZLVFYUORUHNMBO-UHFFFAOYSA-N 201.063 2.772 0 50 BFAA in-vitro Cc1cccc(NC(=O)c2ccncc2)c1 392753 OMZLQCLKNQSQQE-UHFFFAOYSA-N 212.252 2.642 0 50 BFAA COc1ccc(N[C@H]2CCCCC2=O)cc1 398877 LTZCUDNVQLDYPS-LBPRGKRZSA-N 219.284 2.619 0 50 BFAA Cc1ccc(C(=O)Nc2cc(C)ccn2)cc1 401858 KLNRYNBUTUVSKA-UHFFFAOYSA-N 226.279 2.951 0 50 BFAA c1ccc(CN2CCCCCCC2)nc1 757138 XVVKJSXAZALWTE-UHFFFAOYSA-N 204.317 2.848 0 50 BFAA Cc1ccc(NC(=O)N[C@@H](C)[C@H]2CCCO2)cc1 2772832 CKXXJTFRQDBQJU-WCQYABFASA-N 248.326 2.684 0 50 BFAA CCn1ncc(NC(=O)c2cccc(C)c2)c1C 2800703 RYTMGAOXHDSBHU-UHFFFAOYSA-N 243.310 2.772 0 50 BFAA CC(C)NC(=O)/C=C/c1ccc(Cl)cc1 12382572 SKXBAIGWUUQJRP-VMPITWQZSA-N 223.703 2.878 0 50 BFAA C[C@@H](NC(=O)CC(C)(C)C)c1ccncc1 12383947 ZKXVUAPVLUKWQU-SNVBAGLBSA-N 220.316 2.695 0 50 BFAA CC(C)(C)OC(=O)n1ccc2cnccc21 59727038 PKYJYPDHSCLTJO-UHFFFAOYSA-N 218.256 2.820 0 50 BFAA in-vitro CC(=O)c1cccc(F)c1Br 59796763 WBMUEFOEEVGDNQ-UHFFFAOYSA-N 217.037 2.791 0 50 BFAA in-vitro O=C(O)CCc1c(F)cccc1Br 75902148 UTLGOOMCDSXMPN-UHFFFAOYSA-N 247.063 2.605 0 50 BFAA COc1cncc(-c2ccc3c(c2)CCN3)c1 212571258 NFCZBOWDLVFITC-UHFFFAOYSA-N 226.279 2.725 0 50 BFAA CCOC(=O)/C=C/c1ccc(Cl)nc1Cl 220465936 UTFJNKJYOLPRNZ-GQCTYLIASA-N 246.093 2.965 0 50 BFAA CCOC(=O)c1nnc(-c2ccccc2C)s1 259651723 PYKBDVYQINAVED-UHFFFAOYSA-N 248.307 2.690 0 50 BFAA COC(=O)c1csc(/C=C/Br)c1 685963958 KHBBSGUDUGSFKX-NSCUHMNNSA-N 247.113 2.900 0 50 BFAA C=CC(=O)Nc1cc(CC)ccc1CC 689564965 PBTFTUOWNSCKEZ-UHFFFAOYSA-N 203.285 2.936 0 50 BFAA c1cnc2nccc(NC[C@@H]3CCCCO3)c2c1 718936552 HKUYWFKZKHDPKA-NSHDSACASA-N 243.310 2.611 0 50 BFAA Cc1ccccc1OCC(=O)NC1CCCCC1 130062 FIASLTIJWIWMTC-UHFFFAOYSA-N 247.338 2.823 0 50 BFAA O=C(Nc1nnc(C2CC2)s1)c1ccccc1 154810 OEPZYXYBQGESTK-UHFFFAOYSA-N 245.307 2.668 0 50 BFAA CC(C)(C)NC(=O)CSc1ccccc1 380068 YKZFQAFFVJKQDA-UHFFFAOYSA-N 223.341 2.693 0 50 BFAA O=C(O)C1(c2ccc(Cl)cc2)CCC1 394844 XYSRHOKREWGGFE-UHFFFAOYSA-N 210.660 2.846 0 50 BFAA in-vitro CC(C)C(=O)NC1C2CC3CC(C2)CC1C3 458440 UIDAHABSCBZRLG-UHFFFAOYSA-N 221.344 2.583 0 50 BFAA CN(C)c1ccc([C@@H](O)c2ccccc2)cc1 1594497 ZCFIOPJQDOOQQE-HNNXBMFYSA-N 227.307 2.834 0 50 BFAA in-vitro CCCCc1nnc(-c2ccc(N)cc2)o1 3883519 XPIHSQYFSYJQEZ-UHFFFAOYSA-N 217.272 2.661 0 50 BFAA COc1cc(C)c(Cl)cc1-c1cc(N)n[nH]1 4234676 PIQWQWAIZMYHQI-UHFFFAOYSA-N 237.690 2.629 0 50 BFAA CCn1ccc(=Nc2ccc(N(C)C)cc2)cc1 4773417 NFPWOMSUQWYNCR-UHFFFAOYSA-N 241.338 2.806 0 50 BFAA SC1=NC2(CCCC2)C2=C(CCC2)N1 8306571 ZEZYTDGHOMCZJC-UHFFFAOYSA-N 208.330 2.626 0 50 BFAA S=C(Nc1ccccc1)Nc1nccs1 8553055 GCZZOZBWAZHCAN-UHFFFAOYSA-N 235.337 2.952 0 50 BFAA in-vitro C[C@H](NC(=O)Cc1ccccc1)C(C)(C)C 12381100 OYTAYNCYRSCWOI-NSHDSACASA-N 219.328 2.780 0 50 BFAA Cc1ccc(C(=O)Nc2ccon2)cc1C 13745724 OZOUVHNXYSUUHU-UHFFFAOYSA-N 216.240 2.544 0 50 BFAA Nc1nc2c(Cl)ccc(F)c2s1 15442794 NJNFNLUVAPOZML-UHFFFAOYSA-N 202.641 2.671 0 50 BFAA COc1ccc(F)c(F)c1Br 16697362 CSPMXYABVLJGJX-UHFFFAOYSA-N 223.016 2.736 0 50 BFAA in-vitro Cc1ccc(/C=C/c2cccc[n+]2C)cc1 25663619 ZYOKBVURURGGFQ-ZHACJKMWSA-N 210.300 2.990 0 50 BFAA CCn1cc(-c2ccc(F)c(CO)c2)c(C)n1 67674014 OYUABGYKLYXGIA-UHFFFAOYSA-N 234.274 2.510 0 50 BFAA CCSC(=S)NNc1ccccc1 71774217 BHSUQKUYVDIWLM-UHFFFAOYSA-N 212.343 2.641 0 50 BFAA CCc1cccc(C)c1Nc1cc(C)nc(N)n1 72437523 QHYALKWFEPXLAZ-UHFFFAOYSA-N 242.326 2.982 0 50 BFAA CC(C)(C)OC(=O)n1ncc2cccc(F)c21 90558662 FCONSWGCHISOGR-UHFFFAOYSA-N 236.246 2.959 0 50 BFAA in-vitro CC(C)=CCNC(=O)c1cnc(C)nc1C(C)C 191756087 YJKTVCJTGKJMQP-UHFFFAOYSA-N 247.342 2.604 0 50 BFAA Cc1cnc(NC(=O)[C@H]2CCCC(C)(C)C2)[nH]1 270464065 QYLXRAHINYGKRC-JTQLQIEISA-N 235.331 2.873 0 50 BFAA C[C@@H]1C[C@H](NCCCNc2ccccc2)[C@@H](C)O1 294696912 GKJWMUKUZBTDBQ-NFAWXSAZSA-N 248.370 2.644 0 50 BFAA O=C([C@@H]1CC2CCC1CC2)N1CCC12CCC2 334346490 WDDNSJRRHDFWCB-WXRRBKDZSA-N 233.355 2.968 0 50 BFAA Fc1ccc(Cl)c(CSc2nc[nH]n2)c1 390835711 VRDFYRIDYHQAJQ-UHFFFAOYSA-N 243.694 2.890 0 50 BFAA Fc1c(Cl)cccc1C1=CCNCC1 1772718066 KTOLGFILEMAKEU-UHFFFAOYSA-N 211.667 2.856 0 50 BFAA C[C@@]1(c2ccccc2)CCCN1C(=O)N1CCC1 1875297824 FCKBFMOIRCLSIQ-HNNXBMFYSA-N 244.338 2.823 0 50 BFAA O=C1O[C@@H](c2ccccc2)C(Cl)=C1Cl 81383 DCZUHULHKRPPLT-VIFPVBQESA-N 229.062 2.974 0 50 BFAA CCn1ncc(C(=O)Nc2ccccc2C)c1C 371512 ALMDYQAKRSKCCA-UHFFFAOYSA-N 243.310 2.772 0 50 BFAA COc1ccccc1NC(=O)NC1CCCC1 399270 HVUJFAVHTZXSSB-UHFFFAOYSA-N 234.299 2.759 0 50 BFAA Cc1cc(=O)oc2cc(OC(C)C)ccc12 459287 COIUQMDQIBGHQH-UHFFFAOYSA-N 218.252 2.889 0 50 BFAA biogenic CCOc1ccccc1C(=O)n1nc(C)cc1C 476143 UTPTXVSZDXQCJW-UHFFFAOYSA-N 244.294 2.587 0 50 BFAA COC(=O)[C@@](O)(c1ccccc1)C1CCCCC1 2562317 SPTZOODMHSABLY-OAHLLOKOSA-N 248.322 2.628 0 50 BFAA in-vitro CCOP(=O)(CCN(CC)CC)OCC 2904861 YMYGIEQCBWLLDA-UHFFFAOYSA-N 237.280 2.594 0 50 BFAA CCOc1cc2c(cc1OCC)[C@H](C)NCC2 4262571 WZKQNIZMVKPAPR-JTQLQIEISA-N 235.327 2.691 0 50 BFAA in-vitro CC[C@@H]1CCCCN1C(=O)N(CC)CC 4839679 AVGBDYHPEQCFEI-LLVKDONJSA-N 212.337 2.713 0 50 BFAA COC(=O)[C@H](C)Oc1ccc(Cl)cc1C 6070134 YWGAULPFWIQKRB-QMMMGPOBSA-N 228.675 2.589 0 50 BFAA in-vitro Cc1sc(-c2ccccc2F)nc1C(=O)O 11767360 ZZUZMYTZDLFLBK-UHFFFAOYSA-N 237.255 2.956 0 50 BFAA CC[C@H](C)N1CCN(Cc2ccccc2C)CC1 19789340 NDKIPTNYDSQZEB-HNNXBMFYSA-N 246.398 2.911 0 50 BFAA Cc1ccc(NC(=O)c2coc(C)n2)cc1 22606324 MWZNHUOKIWMTSS-UHFFFAOYSA-N 216.240 2.544 0 50 BFAA Cc1cccc(I)c1F 49588109 SDFQHVROPUQHCT-UHFFFAOYSA-N 236.027 2.739 0 50 BFAA in-vitro CS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 58934661 TVLZDIULKKPGFS-UHFFFAOYSA-N 239.123 2.538 0 50 BFAA COC(=O)c1ccc(-c2ccccc2O)c(F)c1 65340097 PVLZPPCZOOXAJU-UHFFFAOYSA-N 246.237 2.985 0 50 BFAA CCN(CC)C[C@@H](C)Oc1ccccc1 79614695 UAUHVXXZMUQIES-GFCCVEGCSA-N 207.317 2.796 0 50 BFAA C[C@H](N)c1ccc(C(F)(F)F)c(F)c1 83592974 JGOIWTAAYYAMKP-YFKPBYRVSA-N 207.170 2.864 0 50 BFAA c1cncc(C[C@@H]2COc3ccccc3C2)c1 91665250 ZRWVAZYZCWBLGA-ZDUSSCGKSA-N 225.291 2.875 0 50 BFAA Cc1cc2cc(Br)ccc2c(N)n1 113728605 UGSOVMNWHPNVEB-UHFFFAOYSA-N 237.100 2.888 0 50 BFAA Nc1cc(OC(F)F)ccc1Br 238705878 MDGKCOGXZCYVCN-UHFFFAOYSA-N 238.031 2.633 0 50 BFAA CC(C)Oc1c(Cl)ccc(O)c1F 261493412 AOJCSZRHWRIAEN-UHFFFAOYSA-N 204.628 2.972 0 50 BFAA CC[C@H]1OCCC[C@H]1C(=O)Nc1cccnc1C 277036753 OSGJLJCZFGEVHO-DGCLKSJQSA-N 248.326 2.534 0 50 BFAA Cc1cc(CN[C@H](C)Cc2ccsc2)[nH]n1 309587586 SMGNHIXYROSPES-SECBINFHSA-N 235.356 2.500 0 50 BFAA CS[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@H]2CC[C@H]1O2 309862396 NCXKYDUSDPHSGW-NZEXEKPDSA-N 241.400 2.570 0 50 BFAA CC1(C)CCN(c2ncc(C(F)F)cn2)C1 334645142 DWDCMIDLGVRWEH-UHFFFAOYSA-N 227.258 2.651 0 50 BFAA c1cn(CC2CCC2)c(-c2cncs2)n1 1875245406 YHAPZIBXSJKHJO-UHFFFAOYSA-N 219.313 2.807 0 50 BFAA Cc1ccncc1NC(=O)C1CC(C2CC2)C1 1875268619 SPZNGMCOZXKTMM-UHFFFAOYSA-N 230.311 2.765 0 50 BFAA O=C(O)/C=C/c1cc(Br)ccc1F 57077 ROTBALNVXDGIQY-DAFODLJHSA-N 245.047 2.686 0 50 BFAA in-vitro Cc1cc(Br)cc(C)c1N 152830 QGLAYJCJLHNIGJ-UHFFFAOYSA-N 200.079 2.648 0 50 BFAA in-vitro O=C(Nc1ccccc1CO)c1cccc(F)c1 446392 QNZKLSWKVSDLPQ-UHFFFAOYSA-N 245.253 2.570 0 50 BFAA Cc1cc(C)nc(SCC(=O)C(C)(C)C)n1 617321 FNXVDJGGZAWCOJ-UHFFFAOYSA-N 238.356 2.801 0 50 BFAA O=C(O)COc1ccc(Cl)c2ccccc12 1732253 MNLRUNHEJYLLBJ-UHFFFAOYSA-N 236.654 2.957 0 50 BFAA Nc1nc(-c2cc(F)ccc2F)cs1 2582664 PYWJLXKHBXFBDN-UHFFFAOYSA-N 212.224 2.671 0 50 BFAA in-vitro O[C@H](CCN1CCCCC1)c1ccccc1 4764929 XCXFLKLOXBGAEP-CQSZACIVSA-N 219.328 2.596 0 50 BFAA CCNC(=S)Nc1cc(Cl)ccc1C 6326194 ZUOCSNWZNHROCV-UHFFFAOYSA-N 228.748 2.955 0 50 BFAA Cc1ccc(-c2nc3ccccc3[nH]c2=O)cc1 10013006 DVQBUXHDDXOCOP-UHFFFAOYSA-N 236.274 2.899 0 50 BFAA OCCN1CCC(CCCc2ccccc2)CC1 15442187 ZUBYUMFXHLDMQD-UHFFFAOYSA-N 247.382 2.714 0 50 BFAA Clc1nc(Cl)n(Cc2ccccc2)n1 42384381 LPEUFQNMMYSQFT-UHFFFAOYSA-N 228.082 2.633 0 50 BFAA in-vitro COc1c(F)ccc(C)c1Br 65337302 WMVJNOVUUDBCEQ-UHFFFAOYSA-N 219.053 2.905 0 50 BFAA in-vitro CCC[C@@]1(CO)CCCN(c2ccncc2C)C1 92036709 WSBVZLASLFQYGV-OAHLLOKOSA-N 248.370 2.769 0 50 BFAA CCOC(=O)Nc1oc2ccccc2c(=O)c1C 101455612 NFVDDCUFERAWFA-UHFFFAOYSA-N 247.250 2.670 0 50 BFAA Cc1cc2cc(N[C@H]3C[C@@H](C)OC3=O)ccc2[nH]1 113308015 DKPSCJGYMCKZKT-RNCFNFMXSA-N 244.294 2.592 0 50 BFAA C[C@H]1CCCN(C(=O)CC[C@@H]2CCCO2)CC1 130445716 AATZITGSAXRFEE-STQMWFEESA-N 239.359 2.594 0 50 BFAA Cc1occc1SCc1cnn(C)c1C 131569760 JQOPXAQSJYECDP-UHFFFAOYSA-N 222.313 2.922 0 50 BFAA Cc1ccc(-c2c(F)cccc2F)nn1 144134700 ZFNRABLKIFTUHG-UHFFFAOYSA-N 206.195 2.730 0 50 BFAA CSc1ccc(CN[C@H](C)C[C@@H](C)O)cc1 164464909 SVDQYZAAKNTXJE-GHMZBOCLSA-N 239.384 2.658 0 50 BFAA CC(C)(C)OC(=O)[C@@H]1CCNc2ccccc21 167217439 ZUCQWEXUKWQYRO-LLVKDONJSA-N 233.311 2.928 0 50 BFAA CC(C)(C)[S@@](=O)NC/C=C/c1ccccc1 200541416 RNRUVKDGYUVWCV-OJXHRBAXSA-N 237.368 2.752 0 50 BFAA CC(C)(C)OC(=O)Nc1ccc(F)c(C=O)c1 217006086 ACTVSVZTNJFEKY-UHFFFAOYSA-N 239.246 2.985 0 50 BFAA CCCc1cccc(CN2CCC[C@H]2C(=O)O)c1 263442860 XAXMHEODDFCREF-AWEZNQCLSA-N 247.338 2.688 0 50 BFAA CO[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccsc1 670459523 OOOUNTXVRQWXBJ-ITGUQSILSA-N 237.368 2.890 0 50 BFAA C=CC(=O)N(C)[C@H](C)c1sc(CC)nc1C 1356509007 JQGNSQWJKUVJAS-SECBINFHSA-N 238.356 2.719 0 50 BFAA COc1ccc(OCCCN2CC[C@H]2C)cc1 1506428500 QBYACVLZJAZHBL-GFCCVEGCSA-N 235.327 2.558 0 50 BFAA CSCCn1ccnc1-c1cccc(O)c1 1875245195 ONCIMDWVVYNEAO-UHFFFAOYSA-N 234.324 2.619 0 50 BFAA c1cn(C2CCCC2)c(C2CCOCC2)n1 1940198068 KWYPHMGWDFMTFZ-UHFFFAOYSA-N 220.316 2.892 0 50 BFAA O=C(O)CCC(=O)Nc1cccc2ccccc12 50811 FXJMMPAVUBUMAD-UHFFFAOYSA-N 243.262 2.643 0 50 BFAA Cc1cccc(NC(=O)c2cc(F)ccc2F)n1 302318 ZEXAPUGEUFFAOS-UHFFFAOYSA-N 248.232 2.921 0 50 BFAA CCOC(=O)c1cccc(Br)c1 389583 QAUASTLEZAPQTB-UHFFFAOYSA-N 229.073 2.626 0 50 BFAA biogenic,in-vitro COc1ccccc1NC(=O)OC(C)C 396518 HACJXSGWCAADTR-UHFFFAOYSA-N 209.245 2.652 0 50 BFAA CC[C@H](C)[C@@H](C(=O)O)N(C)Cc1ccccc1 2382575 UMCNRCSUWIPPOC-AAEUAGOBSA-N 235.327 2.618 0 50 BFAA in-vitro CCOC(=O)c1cnc(Cl)c(Cl)c1 2506657 WGQSPCCCBKQNEV-UHFFFAOYSA-N 220.055 2.565 0 50 BFAA in-vitro O=C(N1CCCC1)C12CC3CC(CC(C3)C1)C2 4031845 RVXVNLMWQYKNHL-UHFFFAOYSA-N 233.355 2.825 0 50 BFAA in-vivo Cc1cnc(NC(=O)CC(C)(C)C)s1 7800849 SWFMRKCEQASHEH-UHFFFAOYSA-N 212.318 2.826 0 50 BFAA O[C@H](CCc1ccccc1)c1ccncc1 8701040 LKRXAUGAEMSWCP-CQSZACIVSA-N 213.280 2.748 0 50 BFAA Cc1cc(NC(=O)c2csc(C)c2C)no1 13744264 RROBWVJLBQOROI-UHFFFAOYSA-N 236.296 2.914 0 50 BFAA CC(=O)c1cc(F)cc(Br)c1 34135852 MZDXPUDHZBCYGS-UHFFFAOYSA-N 217.037 2.791 0 50 BFAA in-vitro COc1ccc(Cl)cc1CCCC(=O)O 36162053 MSOJPOUMDCUNHP-UHFFFAOYSA-N 228.675 2.756 0 50 BFAA Brc1ccc2c(c1)COCC2 39018981 CHBQZLRHIRLMBX-UHFFFAOYSA-N 213.074 2.522 0 50 BFAA CC(C)N(Cc1ccccc1)Cc1nccn1C 65373746 ZMFWBTYJVXQWQF-UHFFFAOYSA-N 243.354 2.831 0 50 BFAA Cc1ccc(-n2cnnc2COC(C)C)cc1 67757633 HTFHHKYMCLQYKD-UHFFFAOYSA-N 231.299 2.501 0 50 BFAA CC(=O)c1cc([N+](=O)[O-])ccc1NC(C)C 142864264 VHJADRQNKYOCLD-UHFFFAOYSA-N 222.244 2.618 0 50 BFAA CC(C)CNC(=O)[C@@H](C)c1ccccc1 163561981 ROIMNKGFRQUDBH-NSHDSACASA-N 205.301 2.562 0 50 BFAA CCc1nc(-c2ccccc2OC(C)C)nn1C 426473722 XCWJIDYHYSYBNZ-UHFFFAOYSA-N 245.326 2.832 0 50 BFAA CC[C@H](NC(=O)N1CCCC1)c1cc(C)ccn1 584903222 ZUYAQYBSZSCELW-LBPRGKRZSA-N 247.342 2.647 0 50 BFAA CCO[C@H](C)c1ccc(-c2cc(O)ncn2)cc1 1506410003 QLLPEJATIODAOO-SNVBAGLBSA-N 244.294 2.947 0 50 BFAA S=C(NNc1ccccc1)NC1CCCCC1 37281 DCFLHKOWKJTAAZ-UHFFFAOYSA-N 249.383 2.810 0 50 BFAA CCOC(=O)c1sc(-c2ccccc2)nc1O 120537 QKRYFBKKMLYRHO-UHFFFAOYSA-N 249.291 2.692 0 50 BFAA CCCCNC(=O)c1ccc(OCC)cc1 1566655 RNHJLBPPHPMRHT-UHFFFAOYSA-N 221.300 2.615 0 50 BFAA O=C(O)c1cccc(COc2ccccc2)c1 3159089 URLYREZIPSJJQU-UHFFFAOYSA-N 228.247 2.964 0 50 BFAA in-vitro CN(C)CCOc1ccccc1C(C)(C)C 4913000 UMWVFWDQPYWSQO-UHFFFAOYSA-N 221.344 2.925 0 50 BFAA CC[C@H](C)C(=O)Nc1cc(C(=O)O)ccc1C 6728913 LVYBDTKRVRCPBF-QMMMGPOBSA-N 235.283 2.678 0 50 BFAA O=C(O)c1ccc2cccc(Cl)c2n1 19088410 BISKATAKTWFSQV-UHFFFAOYSA-N 207.616 2.586 0 50 BFAA in-vitro COCCCN[C@H](C)CCc1ccccc1 20142275 DXJLNMZEUCTLQM-CYBMUJFWSA-N 221.344 2.634 0 50 BFAA C[C@H](CCN1CCCN(C)CC1)c1ccccc1 22578864 FMTFDELLASSVQQ-OAHLLOKOSA-N 246.398 2.818 0 50 BFAA CCCNC(=O)c1ccccc1-c1cccnc1 32582094 CJLXOAVEMLYZKC-UHFFFAOYSA-N 240.306 2.888 0 50 BFAA CCC(=O)N[C@@H](CC)c1ccc(OC)cc1 60640905 CPDGDEAXHRHURH-LBPRGKRZSA-N 221.300 2.673 0 50 BFAA CCOC(=O)c1cccc(NC(=O)CC)c1C 71754886 FHDNRTLQMUAVRB-UHFFFAOYSA-N 235.283 2.520 0 50 BFAA OC/C=C/C=C1CCN(Cc2ccccc2)CC1 90726650 WHNOLOCULOSWCX-SNAWJCMRSA-N 243.350 2.757 0 50 BFAA CCOCCSc1ccc(OC)cc1 96024784 TYWUOSCQRHOJMJ-UHFFFAOYSA-N 212.314 2.824 0 50 BFAA CC1(C)[C@@H]2C[C@@H]1CC=C2CCN1CCOCC1 101365970 IKTXXKJKLBLXHA-UONOGXRCSA-N 235.371 2.701 0 50 BFAA Cc1csc2ccc(CC(=O)O)cc12 214731883 IVMJWIYKZHAQRT-UHFFFAOYSA-N 206.266 2.837 0 50 BFAA CC1(C)[C@H](O)CC[C@]2(C)[C@H](O)CCC[C@]12C 253479659 RRFARTUDYDSMBW-HBJVGIJOSA-N 226.360 2.725 0 50 BFAA C=CC(=O)N(CC)Cc1ccc2ccccc2n1 328600093 VMZSYEQNIBYNCY-UHFFFAOYSA-N 240.306 2.769 0 50 BFAA COc1ccccc1Cc1nc(C2CCC2)n[nH]1 670437952 DVIKMJFWWKMKJU-UHFFFAOYSA-N 243.310 2.672 0 50 BFAA c1cnn(CCCN2CCC3(CCCC3)C2)c1 670457250 NARRRIMEESLGRB-UHFFFAOYSA-N 233.359 2.539 0 50 BFAA C[C@@H](N[C@H]1C[C@@H](O)C1)c1coc2ccccc12 926552804 HJCRJUFKMABAQJ-MXWKQRLJSA-N 231.295 2.607 0 50 BFAA Oc1cc(-c2ccc(-c3ccncc3)cc2)[nH]n1 952966857 FMDSTAWJKHBEQJ-UHFFFAOYSA-N 237.262 2.844 0 50 BFAA CCOc1ccc(NC(=O)c2ccncc2)cc1 119468 DPZJCEADJIGIMS-UHFFFAOYSA-N 242.278 2.733 0 50 BFAA O=Cc1cc(Cl)c(O)c(Br)c1 2532688 ITSXSHQWMYYQQY-UHFFFAOYSA-N 235.464 2.621 0 50 BFAA in-vitro C[C@@H]1Oc2ccccc2O[C@@]1(O)c1ccccc1 4566059 OMVNOIPTRCIZJH-XHDPSFHLSA-N 242.274 2.692 0 50 BFAA c1c[nH]c([C@@H]2CC[C@@H](c3ccc[nH]3)N2)c1 6505281 VLQUYRGQWQGYCC-RYUDHWBXSA-N 201.273 2.509 0 50 BFAA Cc1cc(C(=O)NCc2ccccc2F)c(C)o1 6561506 IKMTUUASUATUGV-UHFFFAOYSA-N 247.269 2.966 0 50 BFAA Cc1ccc([C@@H](N)c2cccnc2)c(C)c1 11737295 QOHALTHZRRBJAP-AWEZNQCLSA-N 212.296 2.747 0 50 BFAA CCOc1ccccc1NC(=O)NC1CCC1 13331728 XQXVBXKSCQOMGY-UHFFFAOYSA-N 234.299 2.759 0 50 BFAA Cc1cc(Cl)n(C[C@H](O)c2ccccc2)n1 34538935 HIURBVRAAWHKNG-NSHDSACASA-N 236.702 2.579 0 50 BFAA COC(=O)c1cc(-c2cccc(Cl)c2)n[nH]1 35122043 CKYXRVBZEALSPS-UHFFFAOYSA-N 236.658 2.517 0 50 BFAA in-vitro Brc1ccc(SC[C@H]2CO2)cc1 37381625 YKAVUOZXTJFTQQ-MRVPVSSYSA-N 245.141 2.940 0 50 BFAA COc1ccc(Br)c2cc[nH]c12 44185172 WCEJDYPAEFIBCD-UHFFFAOYSA-N 226.073 2.939 0 50 BFAA in-vitro Cc1n[nH]c(-c2ccc(F)c(Cl)c2)n1 65462096 CDSSGHASRBEUFD-UHFFFAOYSA-N 211.627 2.573 0 50 BFAA CC(C)(C)OC(=O)Nc1cccc2onc(N)c12 71863728 RVZPFWIMBSBCOC-UHFFFAOYSA-N 249.270 2.757 0 50 BFAA in-vitro COc1cc(C(C)=O)ccc1Br 84506934 IDLRGDVPTYMFSL-UHFFFAOYSA-N 229.073 2.660 0 50 BFAA Cc1nn(C(=O)OC(C)(C)C)c2ncccc12 89224488 QPVJSNUQUNRAJI-UHFFFAOYSA-N 233.271 2.523 0 50 BFAA O=C(O)c1cc(Cl)cc(OC(F)F)c1 138701249 WOQULMFOHBBORM-UHFFFAOYSA-N 222.574 2.640 0 50 BFAA CCOc1cccc(OC)c1Br 216544698 ZLSJMNXJABVGMI-UHFFFAOYSA-N 231.089 2.856 0 50 BFAA Fc1ccc(Cl)c(O[C@H]2CCOC2)c1 306187047 NRDPLHGSNZBOQE-QMMMGPOBSA-N 216.639 2.647 0 50 BFAA Cc1cc(CNc2cccc(F)c2F)on1 309421910 LMBWTELRPMZSNP-UHFFFAOYSA-N 224.210 2.873 0 50 BFAA O=C([C@@H]1C[C@@H]1C1CC1)N1CC2(CCCCC2)C1 336387525 KVJXCMCRYJPCCR-CHWSQXEVSA-N 233.355 2.825 0 50 BFAA Cc1cccc(-c2cnn3c2OCCC3)c1 906538478 LBOPWXCGGNHJOS-UHFFFAOYSA-N 214.268 2.641 0 50 BFAA c1[nH]nc2c1CC[C@]21CCCN(C2CCCC2)C1 1800411509 KXYRNIPQDNRHCT-HNNXBMFYSA-N 245.370 2.632 0 50 BFAA C1=CC[C@H](c2nccn2Cc2ccon2)CC1 1875251444 LNOSFODSHNYKAV-NSHDSACASA-N 229.283 2.743 0 50 BFAA CCCC(=O)Oc1ccc(C=O)cc1OCC 107257 DKLNBKQWFAIPCG-UHFFFAOYSA-N 236.267 2.603 0 50 BFAA CC(C)(C)NC(=O)c1ccc2ccccc2n1 243304 MPIDUIWSSSTMTL-UHFFFAOYSA-N 228.295 2.763 0 50 BFAA C[C@]1(O)CCc2c(ccc3ccccc23)O1 401266 KKLSFNQVBXLPJO-CQSZACIVSA-N 214.264 2.873 0 50 BFAA O=C(NCCC1=CCCCC1)c1ccncc1 476672 XKRGACQLRADBOQ-UHFFFAOYSA-N 230.311 2.702 0 50 BFAA CNC(=S)Nc1ccccc1C(C)C 2890226 RPPPCHIUZRCXIP-UHFFFAOYSA-N 208.330 2.726 0 50 BFAA Cc1csc(NC(=O)c2cc(C)oc2C)n1 3336324 UKRYKVHVAPAESH-UHFFFAOYSA-N 236.296 2.914 0 50 BFAA c1coc([C@@H]2NCCc3sccc32)c1 4513155 HQBCJPJCQGTFIX-LLVKDONJSA-N 205.282 2.576 0 50 BFAA in-vitro CCOc1ncc(Br)cc1C 6870203 KJXFWKLSNMFKSK-UHFFFAOYSA-N 216.078 2.551 0 50 BFAA in-vitro O=C(O)c1cccnc1Nc1ccc(F)cc1 13090319 CUEJKLHNOMZKTP-UHFFFAOYSA-N 232.214 2.663 0 50 BFAA CC[C@H](C)NC(=O)[C@H](C)Oc1ccc(F)cc1 14397485 UPBPRMPBCDHILN-UWVGGRQHSA-N 239.290 2.508 0 50 BFAA COc1cc(-c2cccc3ncccc23)ncn1 19144234 VCINNZCUEIQFIT-UHFFFAOYSA-N 237.262 2.700 0 50 BFAA Cc1ccc([C@@H](CN)N2CCC(C)CC2)cc1 32445532 RJRUFVDQHGNTAA-OAHLLOKOSA-N 232.371 2.727 0 50 BFAA CO[C@H](C)c1cccc(-c2ccnc(CO)c2)c1 32558293 YFWIVDRUSIYTOH-LLVKDONJSA-N 243.306 2.948 0 50 BFAA Clc1cccc(SC[C@@H]2CCCNC2)n1 34147218 SEIDMJBKQVXZEH-SECBINFHSA-N 242.775 2.827 0 50 BFAA O=C(O)c1ccc(Oc2cccnc2)cc1 36904276 JZHQITAPTQQMIF-UHFFFAOYSA-N 215.208 2.572 0 50 BFAA in-vitro COc1cc(Cl)cc(Br)c1N 65336885 MGKYQHLQSQZRCS-UHFFFAOYSA-N 236.496 2.693 0 50 BFAA in-vitro COc1ccc(C(=O)NCC2=CCCCC2)cc1 72437128 DUBYJBMOARPVFE-UHFFFAOYSA-N 245.322 2.925 0 50 BFAA CC(=O)OC[C@@H](c1ccccc1)N1CCCCC1 96026406 FJAWZGBBEDGYAC-HNNXBMFYSA-N 247.338 2.777 0 50 BFAA C[C@@H]1C(=O)Nc2cc(Br)ccc21 100322294 ABTRLWBSKIYPKP-YFKPBYRVSA-N 226.073 2.505 0 50 BFAA in-vitro CCC(=Cc1nc([C@H]2CCOC2)no1)CC 119363534 QVHAIKUEJOQYLX-JTQLQIEISA-N 222.288 2.777 0 50 BFAA CC[C@H](NCc1ccnn1C)c1ccccc1F 163467498 NTNSGOQFDFWURW-AWEZNQCLSA-N 247.317 2.800 0 50 BFAA CC(=O)c1ccc(N[C@H](C)c2ccncc2)nc1 193373117 GZQURVZCTOBDQQ-SNVBAGLBSA-N 241.294 2.852 0 50 BFAA Cc1ncccc1NC(=O)C(C)(C)C(F)F 335879834 ZKFYLELSTXQBBS-UHFFFAOYSA-N 228.242 2.620 0 50 BFAA O=C(NCc1cc2sccc2s1)C(F)F 408514886 HGDTYOCOSJYZHF-UHFFFAOYSA-N 247.291 2.844 0 50 BFAA FC(F)=C1CCN(Cc2cscn2)CC1 585117043 PVDGVDWHKHQERB-UHFFFAOYSA-N 230.283 2.890 0 50 BFAA Cc1onc(-c2ccc(Cl)o2)c1C(=O)O 675057572 JHHJYSBHXIWSHO-UHFFFAOYSA-N 227.603 2.595 0 50 BFAA CC[C@@H]1COC[C@H]1NCCCNc1ccccc1 863983189 DSOUEUCLJPMVEE-UKRRQHHQSA-N 248.370 2.503 0 50 BFAA C=CC(=O)Nc1ccc2c(c1)CCC(C)(C)O2 888098407 DKEOCZAUTMEDFC-UHFFFAOYSA-N 231.295 2.915 0 50 BFAA C=CC(=O)N1Cc2ccccc2C[C@@H]1CC 1346090250 CHDHOQZARLCFHY-ZDUSSCGKSA-N 215.296 2.536 0 50 BFAA COc1c(C)ccnc1NC(=O)C1CCCC1 2325790097 MOLKTUNCCRMJDQ-UHFFFAOYSA-N 234.299 2.527 0 50 BFAA c1cnc2ccnc(-c3cccc4ccnn34)c2c1 2356168126 QUXCDIMKYWTPBG-UHFFFAOYSA-N 246.273 2.945 0 50 BFAA C[C@@H]1S[C@@H](c2ccc(Cl)cc2)NC1=O 205676 ICYPBIOPOTZPGH-WKEGUHRASA-N 227.716 2.590 0 50 BFAA FC(F)(F)c1nc2ccc3nsnc3c2[nH]1 281764 PCEQNTAYYJETDA-UHFFFAOYSA-N 244.201 2.586 0 50 BFAA CN(Cn1nnc2ccccc21)c1ccccc1 403149 VIBLZNXJYGXWHR-UHFFFAOYSA-N 238.294 2.525 0 50 BFAA Oc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)NCC3 1482126 IYNWSQDZXMGGGI-KBMXLJTQSA-N 243.350 2.738 0 50 BFAA in-man Nc1cccc(OCCc2ccccc2)c1 1749516 ATANNAJKSFDCGR-UHFFFAOYSA-N 213.280 2.890 0 50 BFAA in-vitro O=C(O)/C=C/c1ccc(F)cc1C(F)(F)F 2560191 OREHSCSLACWBTF-DUXPYHPUSA-N 234.148 2.942 0 50 BFAA in-vitro C[C@@H]1Oc2ccccc2O[C@]1(O)c1ccccc1 4566061 OMVNOIPTRCIZJH-NHYWBVRUSA-N 242.274 2.692 0 50 BFAA CC1=C[C@H](C)[C@H](CNCCCN(C)C)[C@H](C)C1 4612808 TZIMJQBDMVLZIZ-ZNMIVQPWSA-N 238.419 2.766 0 50 BFAA Fc1ccc2[nH]c3c(S)ncnc3c2c1 4785749 RVGBEEFPDGYBBH-UHFFFAOYSA-N 219.244 2.539 0 50 BFAA Oc1nc(-c2ccccc2)nnc1-c1ccccc1 4813128 OVBZXBMCQXEFGU-UHFFFAOYSA-N 249.273 2.911 0 50 BFAA c1ccc(COc2cccn3ccnc23)cc1 5066626 LDJVMJRATISVRW-UHFFFAOYSA-N 224.263 2.913 0 50 BFAA in-vitro CC(=O)c1cnn(-c2ccc(F)cc2)c1C 20216596 WGNMHNCXFRDRTH-UHFFFAOYSA-N 218.231 2.522 0 50 BFAA in-vitro COc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1C 23114766 PXRYQGYLYYWQMW-CHWSQXEVSA-N 249.354 2.613 0 50 BFAA CC(=O)Oc1c2c(cc3c1CCC3)CCC2 32220105 QVLSWJJACSBBCC-UHFFFAOYSA-N 216.280 2.589 0 50 BFAA COC(=O)c1csc2cc(C)ccc12 40457222 YZALJLQGPRFWEB-UHFFFAOYSA-N 206.266 2.996 0 50 BFAA CCC/C=C/c1ccc2n[nH]c(N)c2c1 67872581 JCRRZZUWVLJZHD-SNAWJCMRSA-N 201.273 2.958 0 50 BFAA OCCC12C[C@@H]3CC(C[C@H](C3)C1)C2(F)F 100807080 GGYDDDKXDCTMPZ-SAAXCQNUSA-N 216.271 2.830 0 50 BFAA C[C@@H](c1ccc(F)cc1)N(C)C(=O)C(F)F 219453086 ZVOWMUSOQFOFEI-ZETCQYMHSA-N 231.217 2.610 0 50 BFAA O=C1CCOc2cc(Br)cc(F)c21 238570814 UQVBCMAIWONHLQ-UHFFFAOYSA-N 245.047 2.553 0 50 BFAA CC(C)(C)NC(=O)c1cccc2c1CC(C)(C)O2 252491477 LNFZTZVLRCQISU-UHFFFAOYSA-N 247.338 2.928 0 50 BFAA O=C(O)c1cccc2ncc(C(F)(F)F)cc12 253496197 UPZIZMMXEZXXIO-UHFFFAOYSA-N 241.168 2.952 0 50 BFAA CCCc1ncc(-c2ccc(C(=O)O)cc2)[nH]1 534652378 IEGYWFMBENQAKO-UHFFFAOYSA-N 230.267 2.727 0 50 BFAA NC(=O)c1cnccc1OCC1CCCCCC1 902573070 ROAAOPPTOXZROP-UHFFFAOYSA-N 248.326 2.530 0 50 BFAA Cc1ccc([C@H](O)C(=O)c2ccccc2)cc1 393403 ZCXVYFZJKVHMJO-HNNXBMFYSA-N 226.275 2.911 0 50 BFAA Cc1ccc(I)cc1F 409272 QZLWTFTXGKKCHZ-UHFFFAOYSA-N 236.027 2.739 0 50 BFAA in-vitro CC[C@@H](Oc1cccc(C)c1C)C(=O)O 2526147 KSFMZAWHPAXTJY-SNVBAGLBSA-N 208.257 2.545 0 50 BFAA in-vitro CCCCOc1ccc(CN)cc1OCC 4227555 LNAIFGVWVZBOMG-UHFFFAOYSA-N 223.316 2.723 0 50 BFAA OC[C@H]1CCCN1CC12CC3CC(CC(C3)C1)C2 4977827 HUZOKBVEXUDYLR-IBHBGHMQSA-N 249.398 2.660 0 50 BFAA Cn1c(Cc2ccc(Cl)cc2)n[nH]c1=S 5730873 BSSOKTNUYBQAIX-UHFFFAOYSA-N 239.731 2.722 0 50 BFAA O=Cc1ccc(OC2CCCCC2)nc1 12359603 KTDSNAKFASLMHF-UHFFFAOYSA-N 205.257 2.606 0 50 BFAA Clc1ccc(OCc2ccccc2)nn1 19415287 YRAUAJNDSLLHKM-UHFFFAOYSA-N 220.659 2.709 0 50 BFAA in-vitro C[C@H]1CN(Cc2ccc(F)c(F)c2)C[C@@H](C)O1 23114702 CVNSXCFVYUQSAW-AOOOYVTPSA-N 241.281 2.574 0 50 BFAA COc1ccc(C[C@H]2CCCCN2)cc1F 32099151 GFIVQSQCXIRIMK-LLVKDONJSA-N 223.291 2.519 0 50 BFAA in-vitro Clc1cccn2c(-c3nccs3)nnc12 32565330 YUXUNIUHKXMOLB-UHFFFAOYSA-N 236.687 2.506 0 50 BFAA Nc1[nH]nc2cc(Oc3ccccc3)ccc12 35287507 UEGGTGTXHAAHGL-UHFFFAOYSA-N 225.251 2.937 0 50 BFAA in-vitro CC(C)(C)OC(=O)N1CCc2cc(O)ccc21 39150852 BKEDNSDALWZCGF-UHFFFAOYSA-N 235.283 2.690 0 50 BFAA CCCNc1onc(C)c1-c1cc(C)no1 71774287 CJIZMOQYLNIDME-UHFFFAOYSA-N 221.260 2.768 0 50 BFAA CC(C)C(NC(=O)C1CCCC1)C(C)C 72115393 UMRHMOXHGKTNGD-UHFFFAOYSA-N 211.349 2.973 0 50 BFAA C[C@@H]1C[C@@H](c2ccccc2)CN1CCCC(=O)O 116402600 ONVKAZCNWPJCEK-TZMCWYRMSA-N 247.338 2.729 0 50 BFAA c1nc(N2CC3(CCCCC3)C2)c2cc[nH]c2n1 273572049 AGXNJVFHGKYXIB-UHFFFAOYSA-N 242.326 2.728 0 50 BFAA CSCc1cccc(CNc2ncccn2)c1 302463437 AUUVIWRIJNZVBO-UHFFFAOYSA-N 245.351 2.952 0 50 BFAA CC(C)N(C)C(=O)[C@@H]1CCCC(F)(F)C1 334358469 SRPWHWUYPFPSKE-SECBINFHSA-N 219.275 2.679 0 50 BFAA C=CC(=O)N(C)C[C@H](OC(C)C)c1ccccc1 1875376431 WPPODRAPKVEREB-AWEZNQCLSA-N 247.338 2.797 0 50 BFAA CC[C@H](C)NC(=O)NCc1ccccc1Cl 137452 MMJUJRNDBHUHAI-VIFPVBQESA-N 240.734 2.938 0 50 BFAA O[C@H]1/C(=C\c2ccccc2Cl)N2CCC1CC2 192700 FWQZIYFJKFBOIY-KADHNRKRSA-N 249.741 2.767 0 50 BFAA Cc1cc(C)nc(N(C#N)Cc2ccccc2)n1 242603 CUJLMQIXTBVBIN-UHFFFAOYSA-N 238.294 2.581 0 50 BFAA O=C(c1ccco1)N1CC[C@H](c2ccccc2)C1 260765 WCDZIHJPPNZQLG-ZDUSSCGKSA-N 241.290 2.909 0 50 BFAA CCCCC[C@@H](C)NC(=O)c1ccco1 2479922 ANMUBJVQMXAPSJ-SNVBAGLBSA-N 209.289 2.978 0 50 BFAA CC1(C)O[C@H]2CCC=C(Br)[C@H]2O1 4146880 BNLUNMGTGCQECR-JGVFFNPUSA-N 233.105 2.579 0 50 BFAA CN(C)c1ccc([C@H](O)c2ccc(F)cc2)cc1 4244752 NMAXILUQHPHJSH-OAHLLOKOSA-N 245.297 2.973 0 50 BFAA CC1=NN(c2ccccc2)[C@@](O)(C(F)(F)F)C1 5306526 BIHGTJKBWWOWEI-JTQLQIEISA-N 244.216 2.524 0 50 BFAA CO[C@@H](c1ccccc1)n1nnc2ccccc21 5356326 RVUCCEWTOJWLNG-AWEZNQCLSA-N 239.278 2.625 0 50 BFAA Cc1ccccc1COC[C@@H]1CCCNC1 14631097 KPPKHBKHIMLHIF-CYBMUJFWSA-N 219.328 2.511 0 50 BFAA in-vitro C[C@H]1CN(C(=O)CCC2CCCC2)C[C@H](C)O1 16603374 HDNKGZNBHFWRBK-RYUDHWBXSA-N 239.359 2.593 0 50 BFAA CCC(=O)NCCSc1ccc(C)cc1 32190466 PGQPABUDWJJDLT-UHFFFAOYSA-N 223.341 2.613 0 50 BFAA Cc1ccc([C@H](CN)N2CCCCCC2)cc1 32522377 COBRLUMEMZKHLA-HNNXBMFYSA-N 232.371 2.871 0 50 BFAA CCOC(=O)C(=O)c1c(C)c(C)c(C)c(C)c1C 42898704 SCIVTBWGVQKNSH-UHFFFAOYSA-N 248.322 2.975 0 50 BFAA CC[C@@H](N)Cc1c[nH]c2cccc(C)c12 44409551 XKHCIOVNXOVPIK-LLVKDONJSA-N 202.301 2.756 0 50 BFAA in-vitro C1=CC[C@@H](c2nccn2CCc2ncc[nH]2)CC1 67714420 ZCWVYWCTTFSXHH-GFCCVEGCSA-N 242.326 2.673 0 50 BFAA CCOC(=O)c1cc(Cl)c(Cl)cc1N 72187485 YCSGBGFAINYTPQ-UHFFFAOYSA-N 234.082 2.752 0 50 BFAA CCc1c(-c2ccccc2)nc2cnccn12 129554259 NEDBMVMWTMOMKO-UHFFFAOYSA-N 223.279 2.959 0 50 BFAA CC(C)(C)OC(=O)N1CCc2ccccc2C1=N 169726155 NMZSHHZAXJELHZ-UHFFFAOYSA-N 246.310 2.805 0 50 BFAA Cc1c(N[C@@H]2CCO[C@H]2C)cnn1C1CCCC1 195456714 PPBAZISJLKBGBZ-WCQYABFASA-N 249.358 2.896 0 50 BFAA CC[Si](CC)(CC)CC[P@@H](=O)O 217534299 IRPJNEIWLQPAJQ-UHFFFAOYSA-N 208.314 2.962 0 50 BFAA C[C@@H]1CN([C@H](C)C(=O)O)CC[C@@H]1c1ccccc1 299747159 CFSFGSDZQVOUKJ-BZPMIXESSA-N 247.338 2.585 0 50 BFAA CCN(C(=O)Nc1ccnnc1)C1CC(C)(C)C1 333949090 WYKHHJNWGLFUGF-UHFFFAOYSA-N 248.330 2.519 0 50 BFAA COc1ccc(-c2ccncc2OC)c(OC)c1 1239621410 OYAIOQIZDCHJIT-UHFFFAOYSA-N 245.278 2.774 0 50 BFAA CSc1ncccc1C(=O)N[C@@H]1C=CCCC1 1857686195 LLARILYOZLJXLQ-SNVBAGLBSA-N 248.351 2.642 0 50 BFAA CN(C)Cc1cccc(-c2nccn2C2CC2)c1 1875241133 OWNPADYDXPXVLM-UHFFFAOYSA-N 241.338 2.947 0 50 BFAA CC(C)Cc1csc(N[C@H]2COC[C@H]2C)n1 1875280510 QNKLWQJZVINMIS-KOLCDFICSA-N 240.372 2.788 0 50 BFAA Oc1ccc(OCc2ccccc2)cc1 1748 VYQNWZOUAUKGHI-UHFFFAOYSA-N 200.237 2.971 0 50 BFAA biogenic,world O=C(Oc1ccccc1O)c1ccccc1 50858 RJHSCCZVRVXSEF-UHFFFAOYSA-N 214.220 2.611 0 50 BFAA biogenic,in-vitro CCOC(=O)c1cc2cc(Cl)ccc2[nH]1 56441 LWKIFKYHCJAIAB-UHFFFAOYSA-N 223.659 2.998 0 50 BFAA biogenic,in-vitro O=C(O)c1ccc(-c2ccccn2)s1 158557 HQULGJDHOPDURG-UHFFFAOYSA-N 205.238 2.508 0 50 BFAA in-vitro COc1c(C)cc(C[C@H]2CCCNC2)cc1C 2555485 ZESQHEWDOKFKRT-CYBMUJFWSA-N 233.355 2.854 0 50 BFAA CCCN(CCC)c1cncc(Cl)n1 16124183 HMNZCTNOQCOMKF-UHFFFAOYSA-N 213.712 2.756 0 50 BFAA in-vitro Clc1ccc(C2N3CCCN23)c(Cl)c1 19168424 MHSDNZOIEHWIIL-UHFFFAOYSA-N 229.110 2.928 0 50 BFAA CCOP(=O)(CN(CC)CC)OCC 19300312 GMMMKWMWVWJBNW-UHFFFAOYSA-N 223.253 2.552 0 50 BFAA CCC1(CC)C(=O)NC(=O)N=C1SC(C)C 22205373 OMYIKDYLEWCSCX-UHFFFAOYSA-N 242.344 2.583 0 50 BFAA CC1(C)O[C@@H]2C(Br)=CCC[C@]2(C)O1 43763727 WQOHMEQNKSQHMQ-SCZZXKLOSA-N 247.132 2.969 0 50 BFAA COC(=O)c1cc(C(F)(F)F)ccc1C 47202430 FXRXVKXAJXZKKB-UHFFFAOYSA-N 218.174 2.800 0 50 BFAA COC(=O)CSc1cccc(Cl)c1 54184950 JUBPCINHJIFNTK-UHFFFAOYSA-N 216.689 2.605 0 50 BFAA CCc1ccc(Nc2cc(C)nc(N)n2)cc1 60805716 LWHNCKSIILYVLT-UHFFFAOYSA-N 228.299 2.673 0 50 BFAA COc1cc(C(=O)O)nc2ccc(Cl)cc12 72221268 FLNCPSJHGWOXTL-UHFFFAOYSA-N 237.642 2.595 0 50 BFAA Brc1cncn1Cc1ccccc1 91361812 BTRXUOMSVCJYPE-UHFFFAOYSA-N 237.100 2.694 0 50 BFAA CCCCCC[C@H](O)CN1CCCSCC1 225440965 KUDNRCYVMBWTIJ-ZDUSSCGKSA-N 245.432 2.757 0 50 BFAA O=C(Nc1ccsc1)N[C@H]1CC[C@@H](F)C1 334237670 LZOCVMAMZXCFGM-SFYZADRCSA-N 228.292 2.760 0 50 BFAA CO[C@H]1CCN(CCCCOc2ccccc2)C1 361373035 RETPGJXBIFIOIQ-HNNXBMFYSA-N 249.354 2.566 0 50 BFAA CC(C)(C)[C@@H](O)/C=C/c1ccc2c(c1)OCO2 724 IBLNKMRFIPWSOY-IYNGYCSASA-N 234.295 2.836 0 50 BFAA world O=CN[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21 173755 PPQYDKFQHSINPX-LBPRGKRZSA-N 248.713 2.945 0 50 BFAA CCOC(=O)c1cc(-c2ccc(OC)cc2)no1 266295 FNEYQBSORYQAPC-UHFFFAOYSA-N 247.250 2.527 0 50 BFAA c1ccc([C@@H]2CNCCc3ccccc32)cc1 1204910 MEXPXLPUVFBQGJ-INIZCTEOSA-N 223.319 2.964 0 50 BFAA in-vitro O=S(=O)(O)c1ccc(Nc2ccccc2)cc1 1688381 HYKDWGUFDOYDGV-UHFFFAOYSA-N 249.291 2.677 0 50 BFAA C[C@H](O)CNCc1ccc(-c2ccccc2)cc1 4657535 RAGWUJFEORDZIQ-ZDUSSCGKSA-N 241.334 2.824 0 50 BFAA CON(C)C(=O)c1ccc(C(C)(C)C)cc1 4840266 XXLVUAPKIAQHFL-UHFFFAOYSA-N 221.300 2.618 0 50 BFAA in-vitro Cc1ccccc1CNC(=O)Cc1cccs1 5134849 NDLIYRZNDMHSAJ-UHFFFAOYSA-N 245.347 2.915 0 50 BFAA CC(=O)c1sc(Nc2cccnc2)nc1C 12336563 SPYVGOMXPCNTCG-UHFFFAOYSA-N 233.296 2.793 0 50 BFAA C[C@H]1CN(Cc2ccc(F)cc2F)C[C@H](C)O1 19606788 VMZLJDJODGHFPC-UWVGGRQHSA-N 241.281 2.574 0 50 BFAA CC(C)(C)OC(=O)N1Cc2cccc(C=O)c2C1 44137574 YCQIZFKFFNQEMM-UHFFFAOYSA-N 247.294 2.750 0 50 BFAA in-vitro COc1c(C)cc(NC(C)=O)c(C)c1C 71774279 QJUYXISYJASRME-UHFFFAOYSA-N 207.273 2.579 0 50 BFAA COc1ccc2c(Cl)cc(C(=O)O)nc2c1 77255168 NRSHXBBQICYYFJ-UHFFFAOYSA-N 237.642 2.595 0 50 BFAA O=C(N[C@H]1CC[C@@H]2CCC[C@@H]21)c1ncccc1F 77541167 QIBRKRBWMVHZIQ-NHCYSSNCSA-N 248.301 2.529 0 50 BFAA O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1F 101472850 WJSFUWIGJYCFAX-OUJBWJOFSA-N 233.286 2.744 0 50 BFAA CCc1cc(O)ccc1NC(=O)[C@@H]1C[C@@H]1C 191014912 GPUSEFGLBZWAAO-GZMMTYOYSA-N 219.284 2.549 0 50 BFAA OCc1ccccc1COCc1ccccc1 199528254 PJXNJOMQQNBXNV-UHFFFAOYSA-N 228.291 2.896 0 50 BFAA Cc1cc(C(=O)OC2CCCCC2)ccn1 225732263 VWPKECVIJVGYEF-UHFFFAOYSA-N 219.284 2.880 0 50 BFAA CC(C)(CCO)Nc1ccc(Cl)cc1 258859380 CBNKWOJREOTMPN-UHFFFAOYSA-N 213.708 2.913 0 50 BFAA C[C@@H](NC(=O)c1ccoc1)[C@@H]1C[C@H]2CC[C@H]1C2 273494254 OXHAAOBYRYTEOK-BLFANLJRSA-N 233.311 2.834 0 50 BFAA C[C@]12CCN(c3ccccn3)C[C@H]1C2(F)F 291993518 QRMCIJSYZKQQFU-KOLCDFICSA-N 224.254 2.563 0 50 BFAA c1ccc(CNc2cnc3c(n2)CCCC3)cc1 306677069 XZSHZAUKDMIBKF-UHFFFAOYSA-N 239.322 2.968 0 50 BFAA c1cc(CN2CCC[C@@H]2C2CC2)c2cn[nH]c2c1 628163638 LLEOUTRIFNYMQQ-OAHLLOKOSA-N 241.338 2.937 0 50 BFAA C[C@H]1CCC(=O)C[C@H]1Oc1ccccc1 725362982 WKIIXDFFDFBOQZ-GXFFZTMASA-N 204.269 2.823 0 50 BFAA Cc1cccc([C@]2(O)C[C@H](C)N(C)C[C@H]2C)c1 823750113 NQXBVFUTBSOOME-IPYPFGDCSA-N 233.355 2.543 0 50 BFAA Cc1cccnc1N1CCO[C@H](CC(C)C)C1 1506402809 LZCMSAXVWZRHNJ-CYBMUJFWSA-N 234.343 2.641 0 50 BFAA C=CC(=O)N[C@@H](C)C1(c2ccccc2)CCC1 1776007165 VCZPMSPPAKPSHY-LBPRGKRZSA-N 229.323 2.799 0 50 BFAA COc1cc(O)cc(Cl)c1CN1CCCC1 1800411993 SKUCQXIRIUMWRW-UHFFFAOYSA-N 241.718 2.650 0 50 BFAA C/C=C/c1cc(O)c(Cl)c(OC)c1O 2332925110 CFERRHMVWUPCPK-ONEGZZNKSA-N 214.648 2.793 0 50 BFAA O=C(O)CCCC(=O)Nc1cccc(Cl)c1 235560 IOGZUZWYWFERNY-UHFFFAOYSA-N 241.674 2.533 0 50 BFAA COc1ccc(C(=O)Oc2ccccc2)cc1 294781 BNZYBNYNPXKWCM-UHFFFAOYSA-N 228.247 2.914 0 50 BFAA biogenic,in-vitro CCN1CCC(Nc2ccccc2F)CC1 766484 JXDKAPWBGLJUDX-UHFFFAOYSA-N 222.307 2.722 0 50 BFAA Cc1noc(C)c1COc1ccccc1 1383224 USUHCZGGIBTHLA-UHFFFAOYSA-N 203.241 2.870 0 50 BFAA in-vitro O=C(O)c1c(Cl)ccc(F)c1Cl 1732029 NMFMJSSFYLXQAO-UHFFFAOYSA-N 209.003 2.831 0 50 BFAA in-vitro O=C(Cc1ccccc1)c1ccccc1O 2559138 VGHVJQXWDXRTRJ-UHFFFAOYSA-N 212.248 2.818 0 50 BFAA O=C(OCc1ccccc1)N1C=CCCC1 22057609 LLRZWESXFFNSKX-UHFFFAOYSA-N 217.268 2.933 0 50 BFAA in-vitro C[C@H](O)c1nc2cc(C(F)(F)F)ccc2n1C 40410243 BRURGSKWINBYTO-LURJTMIESA-N 244.216 2.645 0 50 BFAA in-vitro COc1cncc(-c2cccc(F)c2)c1 47204799 FNYSJUKNVGXKPE-UHFFFAOYSA-N 203.216 2.896 0 50 BFAA in-vitro N[C@H](COc1ccc2ccccc2c1)C1CC1 69082832 QAPUFJGRVFLODG-OAHLLOKOSA-N 227.307 2.956 0 50 BFAA O=Cc1sc2cccnc2c1Br 95836363 WCXDACNHNUFONK-UHFFFAOYSA-N 242.097 2.871 0 50 BFAA in-vitro CCN[C@@]1(c2ccccc2)CCCCC1=O 97758809 IDLSBAANXISGEI-CQSZACIVSA-N 217.312 2.635 0 50 BFAA in-vitro CCCOc1c(F)cc(O)cc1Cl 261493835 KFGXJLZWPLWYBJ-UHFFFAOYSA-N 204.628 2.974 0 50 BFAA O=C(O)c1c(-c2ccco2)noc1C1CC1 675057553 IQVYYFJPLRKCAX-UHFFFAOYSA-N 219.196 2.510 0 50 BFAA C/C(=C\c1ccco1)CN[C@H]1CCN(C)[C@H](C)C1 1775987509 LPXVLKVNOSSTGL-NEKXEHSPSA-N 248.370 2.755 0 50 BFAA C=CC(=O)N[C@@H](Cc1ccccc1)c1ccco1 1776002938 NLIUYFVJJUPXRK-ZDUSSCGKSA-N 241.290 2.866 0 50 BFAA C1=C[C@@H](n2ccnc2-c2ccncc2)CC1 1875242630 WCQBLGZVCWHMDC-GFCCVEGCSA-N 211.268 2.836 0 50 BFAA O=C(NCc1ccccn1)c1ccccc1Cl 29251 XKXMLNIPBUIQLH-UHFFFAOYSA-N 246.697 2.665 0 50 BFAA Cc1ccccc1C(=O)n1cc(Cl)cn1 37175 LBFRMVGIANQWAQ-UHFFFAOYSA-N 220.659 2.533 0 50 BFAA in-vivo O[C@H]1CCN(Cc2ccc(Cl)cc2Cl)C1 217526 CBZKXAKTSOBSGM-JTQLQIEISA-N 246.137 2.560 0 50 BFAA O=C(O)c1ccc(NCc2ccccc2)cc1 392253 NYNAMTQEBMCHNG-UHFFFAOYSA-N 227.263 2.997 0 50 BFAA O=C(Nc1ccc(Cl)cc1)Nc1ncccn1 392370 MXJHNLOYYPEQHJ-UHFFFAOYSA-N 248.673 2.774 0 50 BFAA CCC[C@@H](C)C(=O)n1nnc2ccccc21 444033 YLCKSTYHCNWOFR-SECBINFHSA-N 217.272 2.508 0 50 BFAA Cc1ccccc1Nc1nnc(S)s1 1082178 KWWBRNIJHGTCDA-UHFFFAOYSA-N 223.326 2.879 0 50 BFAA in-vitro O=Cc1cc(Cn2cnc3ccccc32)cs1 4343048 ZRCCMEXVAIXJEQ-UHFFFAOYSA-N 242.303 2.959 0 50 BFAA O=C(COc1ccccc1F)Nc1ccccc1 5558212 YZYNHQBSEFNLIG-UHFFFAOYSA-N 245.253 2.843 0 50 BFAA CC(C)n1ccc2cc(C(=O)O)ccc21 20550516 JCDUXMIKSQFMJW-UHFFFAOYSA-N 203.241 2.920 0 50 BFAA biogenic,in-vitro COc1ccnc(-c2ccc(Cl)s2)n1 67714270 HUWMYLRTZYOEKZ-UHFFFAOYSA-N 226.688 2.867 0 50 BFAA CCO[C@@H]1CCCN(c2ncccc2Cl)C1 301584600 VNMFRSDYDXAXIT-SNVBAGLBSA-N 240.734 2.740 0 50 BFAA CC1=CCN(c2nccc(C(F)F)n2)CC1 336412723 QURSOYQSBQZVLD-UHFFFAOYSA-N 225.242 2.571 0 50 BFAA Cc1nc(-c2ccccc2OCC(C)C)n[nH]1 426488187 IZQFFUHLNUCSHX-UHFFFAOYSA-N 231.299 2.815 0 50 BFAA CC[C@@H](OC)C(=O)NC1(c2ccc(C)cc2)CC1 534589582 KNCKJWMCXOFBDA-CYBMUJFWSA-N 247.338 2.525 0 50 BFAA Cc1cc(O)ccc1C(=O)N(C)C[C@@H]1CC1(C)C 584887860 FVQWLZZDWHOCHF-NSHDSACASA-N 247.338 2.819 0 50 BFAA C[C@H](NC(=O)Cc1cccnc1)C1=CCCCC1 827989672 RFYQIXYOBNDOGV-LBPRGKRZSA-N 244.338 2.629 0 50 BFAA COC(=O)c1ccc(CN2CCCC[C@@H]2C)cc1 213125 YSWWBSSMMOAMDE-LBPRGKRZSA-N 247.338 2.848 0 50 BFAA COc1cccc(CNC2CCCC2)c1OC 263378 PDRRFTJCMRGAFB-UHFFFAOYSA-N 235.327 2.736 0 50 BFAA in-vitro C[C@H]1CCCN(CCOc2ccccc2)C1 312056 HDQGOSUKOKDLIM-ZDUSSCGKSA-N 219.328 2.797 0 50 BFAA O=C1O[C@@H]2CCCC[C@@H]2[C@H]1c1ccccc1 1681766 NHZLOUXGQVISND-YNEHKIRRSA-N 216.280 2.886 0 50 BFAA Cc1nc(O)c(C(F)(F)F)c(C(F)(F)F)n1 3876366 PNKRATFJONVCBB-UHFFFAOYSA-N 246.110 2.528 0 50 BFAA S=C(Nc1ccccc1)Nc1ccccn1 5421563 JFHXWMRFXORESD-UHFFFAOYSA-N 229.308 2.891 0 50 BFAA in-vitro Cc1nnc(S)n1-c1ccc(F)c(Cl)c1 6402014 NYDLZQZXPXVRCB-UHFFFAOYSA-N 243.694 2.657 0 50 BFAA COc1ccc(C=O)c(CN2CCCCCC2)c1 9694730 DJHCBWIPUKKNTQ-UHFFFAOYSA-N 247.338 2.884 0 50 BFAA CC(C)n1c(S)nnc1-c1ccccc1 11692588 GYEMVRVUKFGVOL-UHFFFAOYSA-N 219.313 2.815 0 50 BFAA in-vitro CC(C)(C)c1ccc2oc(CN)nc2c1 19092234 SIHHRUINFFFVPO-UHFFFAOYSA-N 204.273 2.584 0 50 BFAA in-vitro CC[C@@H](C)NC(=O)c1ccc(OC)c(Cl)c1 21143524 OGVIXTNGQFYBOL-MRVPVSSYSA-N 241.718 2.877 0 50 BFAA C[C@H](CCCC(C)(C)O)NC1CCCC1 32553336 YVAKOMGGNFCNLU-LLVKDONJSA-N 213.365 2.848 0 50 BFAA Nc1nc2cc(Cl)cc(Br)c2o1 52066085 BOHZBFNIVHFFAC-UHFFFAOYSA-N 247.479 2.826 0 50 BFAA in-vitro CCOC(=O)c1ccc(-c2cnco2)cc1 90470729 DMCXVEGHRQNRLG-UHFFFAOYSA-N 217.224 2.518 0 50 BFAA in-vitro COc1ccc(OC)c2c1[C@H]1C=C[C@H]2C1 100936253 DQJLQTJXZMEMBV-IUCAKERBSA-N 202.253 2.845 0 50 BFAA Fc1cccc(COc2cccnc2)c1F 126149371 MBFKSVGJPKSQII-UHFFFAOYSA-N 221.206 2.939 0 50 BFAA in-vitro NC(=S)Nc1ccc(-c2ccccc2)cc1O 169725199 PMNKTFHNBWMUDO-UHFFFAOYSA-N 244.319 2.715 0 50 BFAA C[C@@H]1CN(C[C@H]2CCOC2)c2ccccc21 334221057 WFIJWIACJJPONH-VXGBXAGGSA-N 217.312 2.647 0 50 BFAA COCC1(CNC2Cc3ccccc3C2)CCC1 336795154 IGPCNJDSEOJPCJ-UHFFFAOYSA-N 245.366 2.560 0 50 BFAA CCc1nc(-c2cccc3cccnc23)n(C)n1 426421149 LULXBDXRYURXIN-UHFFFAOYSA-N 238.294 2.593 0 50 BFAA c1nc(N2CC[C@H](C3CCC3)C2)c2cc[nH]c2n1 665755795 QMSALGTZZYCGKE-NSHDSACASA-N 242.326 2.584 0 50 BFAA CC[C@@H](C)NCc1cncc(C(F)(F)F)c1 725244250 QBSJXCSAFYCWRM-MRVPVSSYSA-N 232.249 2.989 0 50 BFAA C[C@H]1CCCCN1[C@@H]1CC(=O)CC[C@H]1C 725360481 IXYCGRDDURXKED-NTZNESFSSA-N 209.333 2.619 0 50 BFAA Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 123105 XGIDNOGYXJDQFW-UHFFFAOYSA-N 236.658 2.768 0 50 BFAA Cn1nc(-c2ccc(C(C)(C)C)cc2)cc1N 165712 IFLSIEYNHCORPD-UHFFFAOYSA-N 229.327 2.967 0 50 BFAA CCCn1c([C@H](C)NC(C)=O)nc2ccccc21 200770 ZEDJFKILWLXIBZ-JTQLQIEISA-N 245.326 2.643 0 50 BFAA COc1cc(CN[C@@H]2CC[C@H](C)C2)cc(OC)c1 277288 IUTHOWKMPJVEGB-WCQYABFASA-N 249.354 2.982 0 50 BFAA CC[n+]1c(SC)sc2ccccc21 349138 UJRHQESUYLKVCP-UHFFFAOYSA-N 210.347 2.931 0 50 BFAA Cc1ccccc1OC(=O)c1cccnc1 351304 TVPAWAZKOGPPAE-UHFFFAOYSA-N 213.236 2.609 0 50 BFAA CC(=O)c1sc(-c2ccccn2)nc1C 1402754 CCNGLMLECVWYHW-UHFFFAOYSA-N 218.281 2.716 0 50 BFAA Cc1cccc(-n2c(C)n[nH]c2=S)c1C 2544675 GTAKZNPTPMSKQI-UHFFFAOYSA-N 219.313 2.855 0 50 BFAA Clc1cc(CN2CCCCC2)ccn1 2583971 FCGXHPOYGAGSIQ-UHFFFAOYSA-N 210.708 2.721 0 50 BFAA in-vitro COc1ccc(-c2ccnc3cc(C)nn23)cc1 2788122 OEHHPYZFUUDZTC-UHFFFAOYSA-N 239.278 2.713 0 50 BFAA CC[C@@H](C)NCCCOc1ccc(F)cc1 2823087 CGEQXYSAUYSINX-LLVKDONJSA-N 225.307 2.983 0 50 BFAA CCCOc1ccc(C(=O)O)cc1OCC 2866203 LYELHFOIWWRZNU-UHFFFAOYSA-N 224.256 2.572 0 50 BFAA in-vitro Brc1cccc([C@H]2CCCN2)c1 3732369 FIRVFEHVSIYTIO-SNVBAGLBSA-N 226.117 2.874 0 50 BFAA in-vitro O=[S@@](NC1CCCCC1)c1ccccc1 5490219 ZTOMSORUDLSEGQ-HNNXBMFYSA-N 223.341 2.632 0 50 BFAA CC[C@@H](C)NC(=O)NCCC1=CCCCC1 13745680 PLRHCOCIERDVGO-LLVKDONJSA-N 224.348 2.975 0 50 BFAA CC[C@H](C)NC(=O)N1CCCCCCC1 13745935 NGZOPSUJVFCEIM-NSHDSACASA-N 212.337 2.761 0 50 BFAA Cc1c(CO)[nH]c2ccc(Br)cc12 19093298 UXXWIWFJZKRNDQ-UHFFFAOYSA-N 240.100 2.731 0 50 BFAA Nc1cc(-c2ccc(C(F)(F)F)cc2)n[nH]1 19689501 HZZRLYJWBJHZHU-UHFFFAOYSA-N 227.189 2.678 0 50 BFAA in-vitro Cc1ccc(-c2ccc(Cl)nn2)cc1N 44804368 XVHAVKIYXOMMLD-UHFFFAOYSA-N 219.675 2.688 0 50 BFAA CC(C)(C)OC(=O)c1cc(F)cc(F)c1 68812909 NHVCNYLYDFGIJQ-UHFFFAOYSA-N 214.211 2.920 0 50 BFAA in-vitro Cc1nc2c(NC(=O)C(C)(C)C)cccn2c1C 74860127 VRRUMDUOYBYQPW-UHFFFAOYSA-N 245.326 2.936 0 50 BFAA Cc1ncccc1-c1cccc(C(=O)O)c1 139846381 UPVVYMWCLNMXFO-UHFFFAOYSA-N 213.236 2.755 0 50 BFAA Cc1sc(C(=O)O)c(C)c1Br 145440483 GFQWFEFERRBZGH-UHFFFAOYSA-N 235.102 2.826 0 50 BFAA Cc1ncsc1-c1ccc(CN)cc1 223350123 PCZXZPOWHWJXDZ-UHFFFAOYSA-N 204.298 2.577 0 50 BFAA in-vitro Cc1cc(C(=O)O)c(C)n1C[C@H]1CCSC1 228551452 PHIPLOSMJMHIOC-SNVBAGLBSA-N 239.340 2.556 0 50 BFAA Cc1nc2ccc(F)cn2c1Br 238501323 XBMXNCTYBBEBTR-UHFFFAOYSA-N 229.052 2.544 0 50 BFAA CC1=CCC[C@H](C)[C@@H]1CN1[C@H]2CC[C@H]1CC(O)C2 249082041 LSGBABGPNBPZEW-RZLSGREXSA-N 249.398 2.967 0 50 BFAA O=C(CCC1CC1)Nc1cccc2cnncc12 253417192 AVAMRZDPOORJOU-UHFFFAOYSA-N 241.294 2.759 0 50 BFAA COC(=O)c1cnoc1-c1ccc(Cl)cc1 328579043 KWOGGSTXPMBDDL-UHFFFAOYSA-N 237.642 2.782 0 50 BFAA O=C(N[C@H]1CC12CCCC2)[C@@H]1CC=CCC1 334140198 DBQILQGTCAYZSW-NEPJUHHUSA-N 219.328 2.792 0 50 BFAA Fc1cccc(Cl)c1[C@@H]1[N@@]2CCCC[N@@]12 1857524883 IHRWHEYFRNMAMJ-UWEBFBLFSA-N 226.682 2.804 0 50 BFAA COc1ccc(C(C)=O)cc1CN1CCCCC1 198231 OSNILPMOSNGHLC-UHFFFAOYSA-N 247.338 2.884 0 50 BFAA COc1ccc(CN2CCCC2)c(C)c1C 757033 MICFLDGLJNVZAX-UHFFFAOYSA-N 219.328 2.908 0 50 BFAA CCOC(=O)C(=O)c1ccc(C(C)(C)C)cc1 2387804 VQDPLASXAHWKJX-UHFFFAOYSA-N 234.295 2.730 0 50 BFAA CC[C@H]1CC1(Br)Br 3051608 QWHIOLSPEIYIOK-BYPYZUCNSA-N 227.927 2.902 0 50 BFAA CSc1ccc(NC2CCN(C)CC2)cc1 3684157 GXYCHGJDCCBOOE-UHFFFAOYSA-N 236.384 2.915 0 50 BFAA CCOC(=O)c1cc2c(cn1)[nH]c1ccccc12 6507046 KOVRZNUMIKACTB-UHFFFAOYSA-N 240.262 2.893 0 50 BFAA biogenic,in-vivo CC[C@H](NC(=O)[C@@H]1C[C@@H]1C)c1ccccc1 6726773 YMQQSDJUYGKVDD-UHTWSYAYSA-N 217.312 2.910 0 50 BFAA Cc1ccc(C)c(O[C@@H](C)C(=O)NC(C)C)c1 13710104 UYGXALZTCJUDEO-LBPRGKRZSA-N 235.327 2.595 0 50 BFAA COc1ccccc1[C@@H](C)NC(=O)C(C)(C)C 58266897 HJGQWBNHCIMIMH-SNVBAGLBSA-N 235.327 2.919 0 50 BFAA COc1ccnc(-c2c[nH]c3ccc(C)cc23)n1 67872767 RERCHPWMXIXRKS-UHFFFAOYSA-N 239.278 2.942 0 50 BFAA CC(C)c1cc(C(=O)N2C[C@@H]3CCC[C@H]2C3)no1 77486737 ASSYFBNATVYDLJ-MNOVXSKESA-N 248.326 2.813 0 50 BFAA O=C(O)c1cccc2ccnc(Cl)c12 82766585 YRALCTAJBBQSEV-UHFFFAOYSA-N 207.616 2.586 0 50 BFAA COc1ccccc1CN[C@@H]1CS[C@H](C)C1 86934088 XNTMAEXMJSFMRU-PWSUYJOCSA-N 237.368 2.679 0 50 BFAA O=Cc1cnc(C(F)(F)F)cc1Cl 94986231 FBPZVYHRKMIAKN-UHFFFAOYSA-N 209.554 2.566 0 50 BFAA COc1cc(Br)c(F)cc1F 139770554 DLHGZDMSUZUOEV-UHFFFAOYSA-N 223.016 2.736 0 50 BFAA in-vitro COC(=O)/C(=C\c1ccccc1OC)N=[N+]=[N-] 200348959 XECKYEHLURGTFJ-VQHVLOKHSA-N 233.227 2.519 0 50 BFAA C[C@@H]1C[C@@H]1NC(=O)NCC[C@H]1C[C@H]2CC[C@H]1C2 252586048 NBVOMBFLALFPOL-MOLYVOAJSA-N 236.359 2.520 0 50 BFAA O=C(O)C[C@H](c1cccc(F)c1)C(F)F 258483176 NKGYAJUMBGKQGE-MRVPVSSYSA-N 218.174 2.649 0 50 BFAA Cc1cc(Cl)c(Cl)c(CC(=O)O)c1 263625376 ZIFDVKGPYVUIKV-UHFFFAOYSA-N 219.067 2.929 0 50 BFAA Cc1cnc(C)c(NCCCOC2CCCC2)n1 273821089 CWEALFOGBLWRJM-UHFFFAOYSA-N 249.358 2.855 0 50 BFAA CC1CCN(C(=O)[C@H](C)CC(F)F)CC1 336282212 HFLSGZIIJJILPE-SECBINFHSA-N 219.275 2.536 0 50 BFAA Cc1nc(CN(C)CC2CCCC2)n(C)c1C 823717541 NNGMGKBUHGWLAQ-UHFFFAOYSA-N 235.375 2.659 0 50 BFAA Nc1sc(-c2ccccc2)cc1C(=O)O 131689 QSMQLBVCCAMZHD-UHFFFAOYSA-N 219.265 2.696 0 50 BFAA in-vitro C[C@](O)(C(=O)c1ccccc1)c1ccccc1 157102 DIVXVZXROTWKIH-OAHLLOKOSA-N 226.275 2.777 0 50 BFAA CCCCSc1nc2nc(C)cc(C)n2n1 2182108 DOAICUJKSDVDFM-UHFFFAOYSA-N 236.344 2.633 0 50 BFAA c1ccc(OCCCN2CCCCC2)cc1 2493472 LIIPUCLIOODWTM-UHFFFAOYSA-N 219.328 2.941 0 50 BFAA COC(=O)c1ccc(-c2ccccc2C=O)cc1 2525667 KFHVKGQJVMQGOE-UHFFFAOYSA-N 240.258 2.953 0 50 BFAA C[C@@H](c1ccccc1)N1CC[C@H](O)C[C@H]1C 4020245 QFOPLOIFPTWFGH-DYEKYZERSA-N 219.328 2.593 0 50 BFAA S=c1[nH]nc(Cc2c[nH]c3ccccc23)o1 6492186 ZEDNRGVSUVGMEM-UHFFFAOYSA-N 231.280 2.804 0 50 BFAA CCc1cc(C(=O)N[C@@H](C)c2ccccc2)no1 8592831 ZDSSQPIVZOYKNH-JTQLQIEISA-N 244.294 2.728 0 50 BFAA Cc1c(N)cccc1NC(=O)CC(C)C 8703434 WTJRQPZPPXOYBY-UHFFFAOYSA-N 206.289 2.562 0 50 BFAA in-vitro CCOc1cccc(C(=O)N[C@@H](C)CC)c1 10120517 XSVIKNYGCKQELG-JTQLQIEISA-N 221.300 2.614 0 50 BFAA CCCc1cc(C(=O)Nc2ccon2)cs1 13745838 CPBSLJUHEZSHAV-UHFFFAOYSA-N 236.296 2.941 0 50 BFAA O=C(O)[C@@H](OC1CCCC1)c1ccccc1 35222168 MAMLQTTUXSMYPX-LBPRGKRZSA-N 220.268 2.772 0 50 BFAA in-vitro Cc1ccc2c(cnn2C)c1Br 36533426 IHCMWPGWHNBZAO-UHFFFAOYSA-N 225.089 2.644 0 50 BFAA in-vitro OCCOCc1c(Cl)cccc1Cl 39614477 MCVIDUDFKDIJMZ-UHFFFAOYSA-N 221.083 2.502 0 50 BFAA in-vitro Clc1ncc2c(n1)-c1ccccc1OC2 40449718 SHAGHWRFUMBZPX-UHFFFAOYSA-N 218.643 2.689 0 50 BFAA Fc1ccc(CC[C@H]2CCCNC2)cc1 41216224 VHOOXGNDXSUTOK-GFCCVEGCSA-N 207.292 2.758 0 50 BFAA c1ccc2c(-c3ncn[nH]3)csc2c1 67966125 MVGDYXZPKAJQNF-UHFFFAOYSA-N 201.254 2.686 0 50 BFAA Cc1cccc(OCCc2cc[nH]c(=O)c2)c1C 91620093 ILHMWMAYEUADEV-UHFFFAOYSA-N 243.306 2.613 0 50 BFAA O=C1Nc2ccccc2[C@@H]1c1ccccc1 100027841 PAMMIXSSIGTOAK-ZDUSSCGKSA-N 209.248 2.771 0 50 BFAA in-vitro CCCC[C@H](Oc1cc(F)cc(F)c1)C(=O)O 132348758 CSQFANYPZGVYIQ-NSHDSACASA-N 244.237 2.987 0 50 BFAA O=C(CC1CCC1)N(Cc1ccncc1)C1CC1 173748636 ZAMFSFGWWUAZBI-UHFFFAOYSA-N 244.338 2.763 0 50 BFAA c1ccc(Nc2nnc(-c3ccccn3)o2)cc1 196804115 CSOJDZMPMIGBCH-UHFFFAOYSA-N 238.250 2.875 0 50 BFAA CCCOc1cc(O)cc(Br)c1 261494154 RDYAZFWZFARONZ-UHFFFAOYSA-N 231.089 2.944 0 50 BFAA Cc1ccc2n[nH]cc2c1[C@@H]1CCN[C@@H](C)C1 757211163 KBEBSWFNTDUYOB-WDEREUQCSA-N 229.327 2.727 0 50 BFAA Cc1cc2c[nH]nc2cc1[C@@H]1NCCC[C@@H]1C 757213884 RKPQHVLPUVLCTO-LKFCYVNXSA-N 229.327 2.932 0 50 BFAA Cc1ccc(-c2ccc3c(c2)NC(=O)NC3)cn1 1240224099 GAKNRTMQHVUDOG-UHFFFAOYSA-N 239.278 2.692 0 50 BFAA CCc1cccc(OCC(=O)NC(C)(C)C)c1 145559 KTKPTNODIBJTPZ-UHFFFAOYSA-N 235.327 2.543 0 50 BFAA CC[C@H](N)C(=O)c1c(C)cc(C)cc1C 210842 DGPHFSCIUAEVIN-NSHDSACASA-N 205.301 2.532 0 50 BFAA CC(=O)N(c1ccccc1)[C@H](C)C1CC1 392692 IPPIQXVCIYXHBG-SNVBAGLBSA-N 203.285 2.838 0 50 BFAA Cc1ccc(S(=O)(=O)Cc2ccccc2)cc1 399395 OHCLHQCVALHTDN-UHFFFAOYSA-N 246.331 2.969 0 50 BFAA CO[C@@H]1CC/C=C/CC/C=C/CC[C@H]1O 409824 NZJRBFVCZFRVNJ-LIOLFEQCSA-N 210.317 2.829 0 50 BFAA O=Cc1c(Br)[nH]c2ccccc12 1616682 WIRLVLFYTTULCM-UHFFFAOYSA-N 224.057 2.743 0 50 BFAA endogenous,in-man CCC(C)(C)c1ccc(OP(=O)(O)O)cc1 2163541 HNAHQHKURIZAPU-UHFFFAOYSA-N 244.227 2.846 0 50 BFAA Cc1ccccc1Cn1nnc2ccccc21 4487638 SKFGISZABVWDCB-UHFFFAOYSA-N 223.279 2.788 0 50 BFAA O=C(O)c1ccc(NC(=O)[C@H]2CC=CCC2)cc1 5513386 CGYYJHMINXBBNH-JTQLQIEISA-N 245.278 2.680 0 50 BFAA Cc1ccc(N[C@H]2Nc3cc(C)nn3S2)cc1 6966330 VLLYYAUZYOOPRP-LBPRGKRZSA-N 246.339 2.817 0 50 BFAA CCCNC(=O)c1ccc(OCC)c(C)c1 13582189 YZUPZDBRGCNYMQ-UHFFFAOYSA-N 221.300 2.534 0 50 BFAA COc1ccc(Br)c2c1CCC2=O 32264360 XSQABQQBQNMZDZ-UHFFFAOYSA-N 241.084 2.587 0 50 BFAA Cc1ccc2c(c1)c1c(n2C)[C@H](N)CCC1 32919571 GKOUYJRKUOSKPE-GFCCVEGCSA-N 214.312 2.823 0 50 BFAA in-vitro c1ccc(CN2CCc3ncccc3C2)cc1 33872402 OGXKXWUYFHASPY-UHFFFAOYSA-N 224.307 2.640 0 50 BFAA in-vitro Fc1cccc(-c2nnc3ccc(Cl)nn23)c1 36903787 GHWZNGPMUKVBLK-UHFFFAOYSA-N 248.648 2.584 0 50 BFAA O=Cc1ccc([N+](=O)[O-])c(Cl)c1Cl 60022842 NJUCJXLKMXUITL-UHFFFAOYSA-N 220.011 2.714 0 50 BFAA CC(=O)OC[C@H](c1ccccc1)N1CCCCC1 96026407 FJAWZGBBEDGYAC-OAHLLOKOSA-N 247.338 2.777 0 50 BFAA Cc1cc(Cl)ccc1CN[C@H](C)CCO 129781758 BPJIQZUZZGWYKW-SNVBAGLBSA-N 227.735 2.509 0 50 BFAA C/C=C/[C@@H]1OC[C@@]2(CO)[C@H](C)C=C(C)[C@H]1[C@H]2C 137467632 RQCLRCULEFIVSO-XKTOHADASA-N 236.355 2.788 0 50 BFAA CC(C)c1ccc(N(C)C(=O)c2cc[nH]n2)cc1 155698134 BJYIPWFTUPZLSI-UHFFFAOYSA-N 243.310 2.810 0 50 BFAA CSCCn1c(=N)sc2ccccc21 201336818 QXKLGQHXJYYLRO-UHFFFAOYSA-N 224.354 2.545 0 50 BFAA Cc1ccc(NC(=O)N2CC[C@@H]3CCC[C@H]32)cn1 681774446 XNNZVQDUISXFIH-WCQYABFASA-N 245.326 2.796 0 50 BFAA Cc1cc(C(F)(F)F)cc(C(=O)O)c1F 1772718378 CRSQINYZZVGSCN-UHFFFAOYSA-N 222.137 2.851 0 50 BFAA Cc1cc(C)c2[nH]c(C(=O)NCC3CC3)cc2c1 1875280162 XTAWOXQEVRXVJC-UHFFFAOYSA-N 242.322 2.925 0 50 BFAA OCc1ccc(Oc2ccccc2)cc1 346020 FEOMFFKZOZMBKD-UHFFFAOYSA-N 200.237 2.971 0 50 BFAA in-vitro CCC(=O)Nc1cc(Cl)c(OC)cc1OC 363203 SWCIDIOQBZZUPT-UHFFFAOYSA-N 243.690 2.706 0 50 BFAA CC(C)(C)N1NC2(CCCCC2)N=C1S 1250247 IOSBDCUCLGSGRX-UHFFFAOYSA-N 227.377 2.551 0 50 BFAA CCCCOP(=O)(O)OCCCC 1577196 JYFHYPJRHGVZDY-UHFFFAOYSA-N 210.210 2.720 0 50 BFAA biogenic CCOC(=O)CSCCc1ccccc1 1733371 NEKOFQWBPATOLQ-UHFFFAOYSA-N 224.325 2.525 0 50 BFAA Cc1ccnc(Cl)c1Br 2526722 QPFHYDFGKXHWIN-UHFFFAOYSA-N 206.470 2.806 0 50 BFAA in-vitro CCCNC(=S)Nc1ccccc1C 2891772 PRPPMLCPBGIGFP-UHFFFAOYSA-N 208.330 2.691 0 50 BFAA CC(=O)N1[C@H](c2ccc[nH]2)CC[C@@H]1c1ccc[nH]1 6293688 FGFKZEQIPHTPSE-OKILXGFUSA-N 243.310 2.768 0 50 BFAA CC(=O)Oc1c(C)cc(Br)cc1C 7951851 ACPQEWQSYPPLOS-UHFFFAOYSA-N 243.100 2.991 0 50 BFAA O=Cc1ccc(Br)c2cccnc12 8700539 NPLPBRIDHFAGPQ-UHFFFAOYSA-N 236.068 2.810 0 50 BFAA in-vitro NC[C@H](c1ccc(Cl)cc1)N1CCCCC1 32445522 SUBRFDLWSDKKPS-CYBMUJFWSA-N 238.762 2.826 0 50 BFAA CCCC[C@@H](CCCCCC(=O)O)C(=O)O 33986222 OWCLRJQYKBAMOL-JTQLQIEISA-N 230.304 2.913 0 50 BFAA C[S@@](=O)c1c(Cl)cccc1Cl 67801373 FERWOIZMUYDQAV-NSHDSACASA-N 209.097 2.731 0 50 BFAA Cc1nc2cc(Br)cnc2s1 71791003 OSJMMGGVXKKBHV-UHFFFAOYSA-N 229.102 2.762 0 50 BFAA in-vitro O=C(CC(F)(F)F)Nc1ccsc1 135370919 VAISGRZKVXWNFX-UHFFFAOYSA-N 209.192 2.639 0 50 BFAA N[C@H](c1ccc(C(F)(F)F)cn1)C1CC1 161684298 QJYOKZYZCBAPLS-VIFPVBQESA-N 216.206 2.510 0 50 BFAA COc1ccc(Oc2ccc(N)cc2C)cn1 205055612 ADRLSJILFYAVIJ-UHFFFAOYSA-N 230.267 2.773 0 50 BFAA C[C@@H](CCN[C@H]1CC[C@@H](C)[C@H](C)C1)[S@@](C)=O 241439849 NMTVPBDGDFGNEL-XRMRDTNMSA-N 245.432 2.558 0 50 BFAA CC[C@H](C)NC(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 244108372 UIDQXVYENCEMOQ-FPYNETTCSA-N 238.375 2.909 0 50 BFAA O=C([C@@H]1CCCc2sccc21)N1CC2(CC2)C1 334841536 GPZDTEDBJBWLGO-LLVKDONJSA-N 247.363 2.790 0 50 BFAA Cc1n[nH]cc1-c1cc(Cl)ccc1N 725271598 IBADFLVLHOSLPS-UHFFFAOYSA-N 207.664 2.621 0 50 BFAA CCCc1nc(N2CCC3(CCCC3)C2)no1 823023307 CRKYFZAKMACZFF-UHFFFAOYSA-N 235.331 2.793 0 50 BFAA C=CC(=O)N[C@@H](C)c1ncc(-c2ccccc2)o1 1335866550 IRYGUOINGDYLDY-JTQLQIEISA-N 242.278 2.705 0 50 BFAA Cc1cc(C)nc(CN(C)CC[C@H]2CCOC2)c1 1529090890 KFBAYAGLNVRFJL-AWEZNQCLSA-N 248.370 2.557 0 50 BFAA Oc1cc(Cl)c(Br)nc1Cl 1772572657 LSHCFCRFCFEKQP-UHFFFAOYSA-N 242.887 2.857 0 50 BFAA COc1ccc2c(C(F)(F)F)cc(=O)oc2c1 57515 HAZHUELNIGDYQH-UHFFFAOYSA-N 244.168 2.820 0 50 BFAA CCN1C(=O)c2cccc3c(O)ccc1c23 127447 WTFNNSZHHCZXDS-UHFFFAOYSA-N 213.236 2.526 0 50 BFAA Cc1cc(-c2ccccc2)[n+]2ccsc2n1 390798 SBWRNKYKPOFAII-UHFFFAOYSA-N 227.312 2.857 0 50 BFAA Cc1ccccc1NC(=O)c1cccc(N)c1 406628 WMADIBBIIJEEFR-UHFFFAOYSA-N 226.279 2.830 0 50 BFAA in-vitro OCc1ccccc1OCc1ccccc1 516901 XRZMRABYCSOXIZ-UHFFFAOYSA-N 214.264 2.758 0 50 BFAA biogenic,in-vitro CCOC(=O)c1cc2ccc(Cl)cc2[nH]1 2506068 FSMZLIBWSAMADK-UHFFFAOYSA-N 223.659 2.998 0 50 BFAA in-vitro CC(=O)NCCSCc1ccc(Cl)cc1 2985291 MXULUAQPABVHFR-UHFFFAOYSA-N 243.759 2.709 0 50 BFAA COc1ccccc1C(=O)Nc1ccccc1O 4076257 YTTBQNUMHOXYGV-UHFFFAOYSA-N 243.262 2.653 0 50 BFAA Cc1cc(C(=O)Nc2cccc(C)c2C)no1 7609921 APOOWTLLOPRIRP-UHFFFAOYSA-N 230.267 2.852 0 50 BFAA Cc1ccc(NC(=O)Cc2ccc(F)cc2)nc1 12539724 ZPCVUHBZQDIALA-UHFFFAOYSA-N 244.269 2.710 0 50 BFAA CCCNC(=O)[C@H](C)Oc1ccc(Cl)cc1 14401210 DZHTWZLXWWZRKY-VIFPVBQESA-N 241.718 2.634 0 50 BFAA Cc1ccsc1[C@]1(C(=O)O)CC1(C)C 19089370 MBENFHWSVWYQDX-NSHDSACASA-N 210.298 2.809 0 50 BFAA in-vitro Nc1cc(Br)ccc1N1CCCC1 19480508 UQOMCTRPJFFHBA-UHFFFAOYSA-N 241.132 2.632 0 50 BFAA in-vitro CN(CCc1ccccn1)Cc1ccccc1F 19606537 VVAWOGMQQHHMBY-UHFFFAOYSA-N 244.313 2.895 0 50 BFAA CCN(CC)CCN(C)C1CCC(C)CC1 19637010 YXQDFWDAEBDGPN-UHFFFAOYSA-N 226.408 2.839 0 50 BFAA C[C@@H](Cc1ccccc1F)NCc1ccccn1 23280550 PPCMZBJVXKLTIZ-LBPRGKRZSA-N 244.313 2.942 0 50 BFAA NC(=O)c1ccc(/C=C/c2ccccc2)cc1 34410450 IWVHEBBIKXKEBJ-VOTSOKGWSA-N 223.275 2.956 0 50 BFAA CC(C)(C)OC(=O)/C=C/c1ccc(C=O)cc1 38436143 OFMQCKGSKVARCL-CMDGGOBGSA-N 232.279 2.854 0 50 BFAA in-vitro COC(=O)c1c(C)cc(Br)cc1C 59691037 HBAMBTOWPNCADR-UHFFFAOYSA-N 243.100 2.853 0 50 BFAA in-vitro CC(C)c1nnc2ccc(Br)cn12 82048411 CMRPBXDXBYWNPU-UHFFFAOYSA-N 240.104 2.615 0 50 BFAA in-vitro CN(C(=O)OC(C)(C)C)c1nccs1 95836420 YEFAMUXMAJVGDW-UHFFFAOYSA-N 214.290 2.514 0 50 BFAA in-vitro CC1=CC[C@H]2[C@H](C1)[C@H](O)[C@H]1CC=C(C)C[C@H]1[C@H]2O 101082810 VJTLGAFBMXQRLJ-AYYATWNNSA-N 248.366 2.667 0 50 BFAA COc1nccc(Br)c1Cl 113278446 BMCPCFIBEWFBIA-UHFFFAOYSA-N 222.469 2.506 0 50 BFAA COC(=O)[C@@H](C)O[Si](C)(C)C(C)(C)C 195758996 PNJFLQWCBDRGFD-MRVPVSSYSA-N 218.369 2.570 0 50 BFAA in-vitro Cc1cnc(NC(=O)[C@@H]2CCCC(C)(C)C2)[nH]1 270464066 QYLXRAHINYGKRC-SNVBAGLBSA-N 235.331 2.873 0 50 BFAA CCc1nn(C)c(NC(=O)c2ccsc2)c1C 1529150908 BBTZLEYUAFMDRY-UHFFFAOYSA-N 249.339 2.605 0 50 BFAA CCCc1noc2c1C(=O)CC(C)(C)C2 197484 HKZFVBRFMCRFDC-UHFFFAOYSA-N 207.273 2.782 0 50 BFAA O=C(O)C[C@@H]1CCC[C@H](c2ccccc2)C1=O 276948 WTBDYAFOVHATCN-NWDGAFQWSA-N 232.279 2.614 0 50 BFAA biogenic Cc1cc(N(C)C)nc(-c2ccccc2)n1 300157 HRNSXRZVZYSQQJ-UHFFFAOYSA-N 213.284 2.518 0 50 BFAA COc1ccc(C)cc1Br 403240 DHPUIKWBNXTXOB-UHFFFAOYSA-N 201.063 2.766 0 50 BFAA in-vitro CCOC(=O)/C=C/c1cccc(OCC)c1 2583608 HCKOJKUUNSOANP-CMDGGOBGSA-N 220.268 2.662 0 50 BFAA O=C(c1cccc(F)c1)N1CCCCCC1 2741872 WXKIKIHQHWQYBW-UHFFFAOYSA-N 221.275 2.842 0 50 BFAA Cc1ccc([C@@H](C)NC(=O)C2CC2)c(C)c1 2765885 UFCODLRYDPFTLH-LLVKDONJSA-N 217.312 2.891 0 50 BFAA Cc1cc(C)n(CCC(=O)Nc2ccccc2)n1 4923602 GWAAFGIZEYSOEC-UHFFFAOYSA-N 243.310 2.529 0 50 BFAA COc1ccccc1CN[C@H]1CCCC[C@H]1OC 4952866 WIYJMEIIKKRJEO-DZGCQCFKSA-N 249.354 2.742 0 50 BFAA CCCc1cc(=O)[nH]c(Nc2ccc(C)cc2)n1 5012130 SXLFESMNOGTMAM-UHFFFAOYSA-N 243.310 2.774 0 50 BFAA Cc1sc2ncn(C(C)C)c(=O)c2c1C 5414497 OZPMDICQAWQLHK-UHFFFAOYSA-N 222.313 2.656 0 50 BFAA CCc1ccccc1NC(=S)NC1CC1 5878779 OOCJOJLWJUWGAA-UHFFFAOYSA-N 220.341 2.698 0 50 BFAA COC(=O)c1c(C)[nH]c(-c2ccc(F)cc2)c1O 6658022 NIZLGERGIOZDOC-UHFFFAOYSA-N 249.241 2.621 0 50 BFAA Cc1c(NCc2ccccn2)cccc1C(=O)O 6701067 HAUFZEHUDXFIIB-UHFFFAOYSA-N 242.278 2.700 0 50 BFAA Nc1ccc(SCCc2ccccn2)cc1 16391890 KCDXOOIWMOCDAL-UHFFFAOYSA-N 230.336 2.999 0 50 BFAA in-vitro CCNC/C=C/COc1ccc(C)cc1 16622460 FOZAXODGGIIYRQ-SNAWJCMRSA-N 205.301 2.540 0 50 BFAA Cc1ccccc1SC1CCNCC1 19088590 WSWQZLSVTDGECY-UHFFFAOYSA-N 207.342 2.839 0 50 BFAA CC(=O)c1ccc(O[C@@H]2CCCCO2)cc1 26522374 FOSIJJWHNJBMAA-CYBMUJFWSA-N 220.268 2.795 0 50 BFAA C[C@@]1(c2cccc(C(F)(F)F)c2)CCNC1 51955265 BDKRJJZDGSDDRH-LLVKDONJSA-N 229.245 2.956 0 50 BFAA COC[C@@H](C)NCCn1c(C)cc2ccccc21 53525509 SCZTZUPGCRNDLX-GFCCVEGCSA-N 246.354 2.574 0 50 BFAA Cc1cccc(-c2ccco2)c1C(=O)O 65349370 FGTLHPOMMGGQIC-UHFFFAOYSA-N 202.209 2.953 0 50 BFAA in-vitro COc1cc(N2CCC(F)(F)CC2)ccc1N 114011434 LURQGAIFHPLQJY-UHFFFAOYSA-N 242.269 2.513 0 50 BFAA Cc1ccncc1NCc1cccc2cn[nH]c12 170078845 JVEDJPWYZQSMJU-UHFFFAOYSA-N 238.294 2.878 0 50 BFAA CC(C)=CCNC1Cc2ccccc2C1 179150018 NSNAYNIEJBSXGD-UHFFFAOYSA-N 201.313 2.710 0 50 BFAA COc1ccnc(Cl)c1C(F)(F)F 201111701 ZNFGHPBRWYMFNC-UHFFFAOYSA-N 211.570 2.762 0 50 BFAA COc1ccc(-c2cc(CO)ccn2)cc1Cl 426563057 GLLKPFWDURUPQL-UHFFFAOYSA-N 249.697 2.903 0 50 BFAA Cc1n[nH]cc1-c1ccc(CN2CCCC2)cc1 534659078 MNZVQAQQUAYJGY-UHFFFAOYSA-N 241.338 2.981 0 50 BFAA C=CC(=O)NC[C@@H]1C[C@H]1C1CCCCC1 1337620525 DCRVDFAZPFVZSR-RYUDHWBXSA-N 207.317 2.505 0 50 BFAA O=C(c1ccco1)N1CCCc2ccccc21 30003 AUVIAMIAKQCCRK-UHFFFAOYSA-N 227.263 2.873 0 50 BFAA Cc1ccc(CNC(=O)CC(C)C)cc1 30725 UXUOVEDGHBFCPN-UHFFFAOYSA-N 205.301 2.657 0 50 BFAA c1ccc(C2=NCCN=C2c2ccccc2)cc1 83904 RKLPQDGVFVQQOT-UHFFFAOYSA-N 234.302 2.979 0 50 BFAA in-vitro CCNC(=O)c1cc(Cl)cc(Cl)c1 405604 ZVJJAWHZUKVECT-UHFFFAOYSA-N 218.083 2.743 0 50 BFAA Nc1ccccc1C(=O)OC1CCCCC1 2036801 KFEZETDKFSMLMG-UHFFFAOYSA-N 219.284 2.758 0 50 BFAA endogenous,in-man Cc1cc(C)c2c(n1)nn1c(C)cc(C)nc21 2214177 BKXJSBVYQKFLCB-UHFFFAOYSA-N 226.283 2.511 0 50 BFAA CO[C@@](C)(C(=O)O)c1cccc2ccccc12 2506661 YVWMPILNFZOQSZ-CQSZACIVSA-N 230.263 2.786 0 50 BFAA in-vitro CCCCc1nc2cc(CC(=O)OC)ccc2o1 2547882 YOUPSOBOVABQRX-UHFFFAOYSA-N 247.294 2.886 0 50 BFAA O=C(NCc1ccco1)[C@@H]1C[C@@H]1c1ccccc1 2747344 YMFYOUIQBHWTQR-ZIAGYGMSSA-N 241.290 2.700 0 50 BFAA OC[C@@H]1CCCN1CC12CC3CC(CC(C3)C1)C2 4977828 HUZOKBVEXUDYLR-DQGBIZLVSA-N 249.398 2.660 0 50 BFAA CC1(C)C[C@@]1(C(=O)O)c1ccc(F)cc1 19088840 RIOYANNPRFBSNF-LBPRGKRZSA-N 208.232 2.578 0 50 BFAA CC[C@@H](C)Oc1cc(C=O)ccc1OC 20217385 QUTAHKMUOGGGGW-SECBINFHSA-N 208.257 2.685 0 50 BFAA in-vitro COC(=O)c1ccc(Br)cc1Cl 37367598 JSNXIWYWUKTWAX-UHFFFAOYSA-N 249.491 2.889 0 50 BFAA in-vitro CC(=O)c1cc(F)ccc1Br 38339171 BQXROZQUDCJBBY-UHFFFAOYSA-N 217.037 2.791 0 50 BFAA in-vitro Nc1ccc(Cl)c(OC(F)(F)F)c1 38529629 RWTSQATWCKAOBB-UHFFFAOYSA-N 211.570 2.821 0 50 BFAA C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)C 45288746 SRKTYHHXTRLRLY-NSHDSACASA-N 249.354 2.840 0 50 BFAA O=C(c1ccc(Cl)cc1F)N1CCCC1 50823297 SNCAEFUVPBKXKP-UHFFFAOYSA-N 227.666 2.715 0 50 BFAA CCN(CC)c1ccc(N)cc1Br 59200818 UZFLGRXTQZZGFS-UHFFFAOYSA-N 243.148 2.878 0 50 BFAA O=Cc1cc(F)c(Br)cc1F 67802604 PDRHYPUKWIHZMP-UHFFFAOYSA-N 221.000 2.540 0 50 BFAA in-vitro CN1[C@H](CCc2ccccc2)OCC1(C)C 71773339 BXXIIAIIGOXHSG-ZDUSSCGKSA-N 219.328 2.686 0 50 BFAA C[C@H](O)[C@H](C)SCc1cnc(Cl)s1 121204122 BMOHUSFVERKVPN-WDSKDSINSA-N 237.777 2.799 0 50 BFAA CC(C)OCCCn1cnc2ccccc21 194552889 FVGXFBBVTIHVCR-UHFFFAOYSA-N 218.300 2.851 0 50 BFAA C[C@H]1Cc2cc(Br)ccc2[C@@H]1N 215075567 ZQLAOTFDLUKLFM-QUBYGPBYSA-N 226.117 2.641 0 50 BFAA C=CC(=O)O[C@@H]1C[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1 242687327 UFMAVTXURXGNCN-KUZKSGFYSA-N 206.285 2.540 0 50 BFAA C=CC(=O)N[C@H](C)[C@H]1CC2CCC1CC2 307571564 BQJCHZLIIGNQPA-HBIQZDMRSA-N 207.317 2.503 0 50 BFAA Cc1cccnc1CNC[C@H]1CCO[C@@H]1C(C)C 328619299 FRJQLYHBXNOCIT-UKRRQHHQSA-N 248.370 2.541 0 50 BFAA Nc1ccc(-c2cc(C(F)(F)F)n[nH]2)cc1 396701669 YQMOJMPSCNEEKI-UHFFFAOYSA-N 227.189 2.678 0 50 BFAA Cc1nc2cccc(Cl)c2cc1C(=O)O 584880376 PKWCPDWRLIDOBO-UHFFFAOYSA-N 221.643 2.895 0 50 BFAA in-vitro c1cn(Cc2cscn2)c(-c2cncs2)n1 1875245594 HOQVTUYLNCKLJU-UHFFFAOYSA-N 248.336 2.511 0 50 BFAA O[C@@H]1/C(=C\c2ccccc2Cl)N2CCC1CC2 192692 FWQZIYFJKFBOIY-SSUFTNFISA-N 249.741 2.767 0 50 BFAA CC[C@@H](Oc1ccccc1)c1nnc(N)s1 533308 HVKZMILXXWWZLZ-SECBINFHSA-N 235.312 2.650 0 50 BFAA CCCCOCCCNC(=O)[C@@H](C)CCC 2735134 BUPQCURNGQQDKC-LBPRGKRZSA-N 229.364 2.746 0 50 BFAA COc1cccc(C(=O)Oc2ccccc2)c1 3181321 ZAUTUSIGKHWTSX-UHFFFAOYSA-N 228.247 2.914 0 50 BFAA biogenic Cc1c(C(=O)O)cccc1N1CCCCC1 4245088 RZQWNANFHHDHHJ-UHFFFAOYSA-N 219.284 2.684 0 50 BFAA in-vitro CCc1ccccc1NC(=O)Nc1cnccn1 6741403 WANGWJXDHKVCRI-UHFFFAOYSA-N 242.282 2.683 0 50 BFAA CC(C)(C)Cc1ccc(CC(=O)O)cc1 7023266 ALDFGGOEJPJWRE-UHFFFAOYSA-N 206.285 2.902 0 50 BFAA CCc1ccc(C(=O)Nc2ccncc2)cc1 11535920 NKUWOPWNSIKZQX-UHFFFAOYSA-N 226.279 2.896 0 50 BFAA Oc1ncc(Oc2ccc(Cl)cc2)cn1 25981829 QDMLLRTTXHNIOL-UHFFFAOYSA-N 222.631 2.628 0 50 BFAA O=c1ccoc2cc(Br)ccc12 44604201 WWAOCYNUAWVKGQ-UHFFFAOYSA-N 225.041 2.556 0 50 BFAA in-vitro c1cncc(-c2cnn([C@H]3CCCCO3)c2)c1 60289624 GMYLJUVALRLJLF-CYBMUJFWSA-N 229.283 2.644 0 50 BFAA COc1ccc2c(C)c(-c3nc(C)n[nH]3)oc2c1 65375172 ZZPKZBDAKVLQFP-UHFFFAOYSA-N 243.266 2.843 0 50 BFAA CCN(CC)C(=O)Cc1cccc(Cl)c1 74927234 OQHRCIVTUGYTIT-UHFFFAOYSA-N 225.719 2.751 0 50 BFAA Clc1cc(Br)cc2[nH]cnc12 76938838 IZEKQLHDUSVAKK-UHFFFAOYSA-N 231.480 2.979 0 50 BFAA in-vitro Cc1nc(-c2cc(F)ccc2O)cs1 85389662 ZPWOYAQNLTWCHB-UHFFFAOYSA-N 209.245 2.963 0 50 BFAA in-vitro CC1(C)OCc2c(Cl)nc(Cl)nc21 95829767 IGGHWEUEJMUGHP-UHFFFAOYSA-N 219.071 2.549 0 50 BFAA in-vitro O=C(c1ccoc1)N1CC[C@@H](c2ccccc2)C1 121579603 BPVBAEFUTDGHGF-CYBMUJFWSA-N 241.290 2.909 0 50 BFAA CC[C@@H](NCCCO)c1cccc(Cl)c1F 135042061 ZYQSDAJJRUDYSM-LLVKDONJSA-N 245.725 2.902 0 50 BFAA COc1ccc([C@@H]2ON[C@@H](C)C=C2C)cc1 139820201 NDOWTCJTXMFCSO-GXFFZTMASA-N 219.284 2.606 0 50 BFAA Cc1c(CN[C@@H]2CC(C)(C)C[C@H]2C)cnn1C 193144720 XGPQYXAKZIRKLG-ZWNOBZJWSA-N 235.375 2.643 0 50 BFAA CC(C)(C)OC(=O)NCCC1CCC(=O)CC1 224469489 LVQLTRWFIXPZEU-UHFFFAOYSA-N 241.331 2.661 0 50 BFAA O=C(Nc1ccccn1)[C@H]1CCCC(F)(F)C1 225724895 KYWLPZRHGYROND-VIFPVBQESA-N 240.253 2.846 0 50 BFAA COC(=O)CCCc1cc(C)cc(F)c1 261506713 AGKJLKLIXYBBGS-UHFFFAOYSA-N 210.248 2.630 0 50 BFAA CCCOC(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 859137666 BGLIFJZLTQVVSK-NWDGAFQWSA-N 237.274 2.818 0 50 BFAA Cc1cc(Br)cc(C)c1CCN 950756108 PDZWSJAWFUVNTM-UHFFFAOYSA-N 228.133 2.567 0 50 BFAA C[C@]12C[C@@H]1CN(Cc1nc3c(s1)CCCC3)C2 1772817512 RYRXEPOGNKLOSR-QMTHXVAHSA-N 248.395 2.864 0 50 BFAA NC[C@H]1CCOc2cc(C(F)(F)F)ccc21 2325712158 YPBWZVBXKQJGRI-SSDOTTSWSA-N 231.217 2.530 0 50 BFAA CC[C@@H](C)c1ccc(NS(C)(=O)=O)cc1 29514 VJWRIEFAIWFTHG-SECBINFHSA-N 227.329 2.572 0 50 BFAA C[C@H](O)c1ccc(Br)cc1 388277 XTDTYSBVMBQIBT-LURJTMIESA-N 201.063 2.502 0 50 BFAA in-vitro O=C(O)Cc1ccc(SC(F)(F)F)cc1 2560240 BFDKCZMYQOSTJG-UHFFFAOYSA-N 236.214 2.926 0 50 BFAA in-vitro COc1ccc2[nH]cc([C@@H]3CCCN3C)c2c1 5699432 NNCOKSDPKDOAOW-AWEZNQCLSA-N 230.311 2.943 0 50 BFAA O=C(Nc1nccs1)OCc1ccccc1 5773708 QKWLYHRESAIPGB-UHFFFAOYSA-N 234.280 2.892 0 50 BFAA O=C(NCCc1ccc(F)cc1)c1ccccc1 6529141 CALPWAKBDGJTPG-UHFFFAOYSA-N 243.281 2.798 0 50 BFAA Cc1cccc(CC(=O)NC2CCCC2)c1 6729499 BHAHFBVPOZFYAJ-UHFFFAOYSA-N 217.312 2.596 0 50 BFAA CC(C)(C)OC(=O)Nc1ccccc1C=O 16697233 DHALMIBUKCNMLD-UHFFFAOYSA-N 221.256 2.846 0 50 BFAA in-vitro Clc1ccc(N[C@@H]2CN3CCC2CC3)cc1 20440908 RIFXOUKYPKYPOH-CYBMUJFWSA-N 236.746 2.846 0 50 BFAA NCC1(N2CCCCC2)C2CC3CC(C2)CC1C3 32497009 IRGLQLSXVRKAEX-UHFFFAOYSA-N 248.414 2.626 0 50 BFAA CNc1cc(F)c(Br)c(F)c1 36533371 ZFTMKPMFIARRLT-UHFFFAOYSA-N 222.032 2.769 0 50 BFAA CCOC(=O)c1ccc(C)cc1Br 44200657 DGEYHLPWGQVMQQ-UHFFFAOYSA-N 243.100 2.934 0 50 BFAA Cc1ccc2[nH]nc(-c3nc(C4CC4)n[nH]3)c2c1 67756330 IWJMILMPWZNAQD-UHFFFAOYSA-N 239.282 2.534 0 50 BFAA COc1ccc2c(c1)[C@H]1CN=C3CCCC[C@]31O2 96027961 DRKPIHKTIRPCSV-IUODEOHRSA-N 243.306 2.939 0 50 BFAA NC(=O)[C@@]1(Cc2ccccc2)C[C@H]2CC[C@H]1C2 245339005 PXFSJZPKGPLERE-YDHLFZDLSA-N 229.323 2.521 0 50 BFAA O=[N+](Nc1ccc(O)cc1)c1ccc(O)cc1 368046776 GNUFJJNQCRXCAY-UHFFFAOYSA-O 231.231 2.535 0 50 BFAA C=CC(=O)N[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1c1ccccc1 1775997824 SHFFQJCCDLAOEW-VRKREXBASA-N 239.318 2.647 0 50 BFAA C=CC(=O)Nc1cccc(C(F)(F)CF)c1 1776003582 ZAVLKCAWEMEDPR-UHFFFAOYSA-N 229.201 2.872 0 50 BFAA FC1(F)C[C@@H]1Cn1ccnc1-c1ccccn1 1875243809 YMCTWNKBUAVJGO-SECBINFHSA-N 235.237 2.600 0 50 BFAA c1cncc(-c2nccn2[C@@H]2CCSC2)c1 1875247089 QMOBNFVGDLEJGZ-LLVKDONJSA-N 231.324 2.623 0 50 BFAA COc1cc(C)c(-c2nc(C)c(C)c(C)n2)cn1 2100545606 YONSQQTVWYVTKS-UHFFFAOYSA-N 243.310 2.781 0 50 BFAA CC1(C)C[C@H](NCc2ccccc2)CCO1 51288 MSWLMOCCTHCSBL-CYBMUJFWSA-N 219.328 2.734 0 50 BFAA C[C@H]1CC[C@H](N2CCN(c3ccccc3)CC2)C1 212572 WLOHZXKWVPQOQY-HOCLYGCPSA-N 244.382 2.997 0 50 BFAA CCOC(=O)Nc1cc(Cl)ccc1OC 400455 CCOSBPRJSIJVIG-UHFFFAOYSA-N 229.663 2.917 0 50 BFAA CCc1cc2c(C)c(CC)c(=O)oc2cc1O 449249 LWZKAGGTWLAPRR-UHFFFAOYSA-N 232.279 2.932 0 50 BFAA biogenic O=Cc1ccc2cc(Br)ccc2n1 1526638 VQOCWJMSBFLQKK-UHFFFAOYSA-N 236.068 2.810 0 50 BFAA in-vitro Brc1ccc(-c2cn[nH]c2)cc1 1529094 GCAZXAMCMBEXCC-UHFFFAOYSA-N 223.073 2.839 0 50 BFAA COc1cccc([C@@H]2CCCCCN2)c1 2582659 RSJVJDRQAKBTIR-ZDUSSCGKSA-N 205.301 2.900 0 50 BFAA in-vitro S=C(NCCc1ccccc1)N1CCCCC1 2832836 MGICFDHZUDIPGA-UHFFFAOYSA-N 248.395 2.590 0 50 BFAA CNCCCOc1cc(C)cc(C)c1C 2845317 VFEHOEAMLKLDHI-UHFFFAOYSA-N 207.317 2.600 0 50 BFAA CC(C)(C)Nc1c(N)c(=O)oc2ccccc12 13771870 ITEZBZVSGUBGSI-UHFFFAOYSA-N 232.283 2.586 0 50 BFAA Brc1ccnn1Cc1ccccc1 34740967 VTWQCBYADOOLSB-UHFFFAOYSA-N 237.100 2.694 0 50 BFAA Nc1ccc(OCc2ccccc2)cc1F 43472224 SDMVHDKRUHLVKO-UHFFFAOYSA-N 217.243 2.987 0 50 BFAA in-vitro O=Cc1c(F)cc(F)cc1Br 90413250 AUARHFHPKLBXDO-UHFFFAOYSA-N 221.000 2.540 0 50 BFAA in-vitro C[C@@H]1CCCN(C(=O)CC[C@@H]2CCCO2)CC1 130445513 AATZITGSAXRFEE-OLZOCXBDSA-N 239.359 2.594 0 50 BFAA CSc1nc(Cl)cc2nc(CCl)cn12 201583672 UKEWNPRPHCJBAO-UHFFFAOYSA-N 248.138 2.843 0 50 BFAA COC(=O)[C@]12[C@H]3CCC[C@@H]1[C@@]32c1ccccc1 239415347 UFFJPNHYMWRIBN-IKARSPCKSA-N 228.291 2.527 0 50 BFAA COc1cc(NC(=O)C2(C)CCCC2)ccc1O 281840305 QTMRNQLNZVUPOY-UHFFFAOYSA-N 249.310 2.920 0 50 BFAA CN(Cc1cccc2cc[nH]c12)CC(C)(C)CO 294810113 NRNYHDPDCHHQDW-UHFFFAOYSA-N 246.354 2.618 0 50 BFAA c1ccc(CN2CCOCC3(CCC3)C2)cc1 363915147 XWWSYLAEDXMWDN-UHFFFAOYSA-N 231.339 2.689 0 50 BFAA C=CC(=O)N[C@H](c1cc(F)ccc1F)C(F)F 1875367402 MPDXOIOJHFZGCU-SNVBAGLBSA-N 247.191 2.573 0 50 BFAA c1ccc(-c2csc(N3CCOCC3)n2)cc1 137087 MRNNJVNMXOZEQC-UHFFFAOYSA-N 246.335 2.647 0 50 BFAA biogenic CCOC(=O)c1cc2cccc(OC)c2o1 157377 SXCMZYVXJUJIDJ-UHFFFAOYSA-N 220.224 2.618 0 50 BFAA in-vitro O=S1(=O)c2ccccc2Oc2ccccc21 196926 XJLRCPYQIPAQCA-UHFFFAOYSA-N 232.260 2.625 0 50 BFAA Cc1nc2ccccc2nc1N1CCCCC1 435018 AWEDJQUDAHJRLT-UHFFFAOYSA-N 227.311 2.929 0 50 BFAA C[C@H]1S[C@H](c2ccccc2Cl)NC1=O 444571 BYOSTEFUXFDWRR-LHLIQPBNSA-N 227.716 2.590 0 50 BFAA COC(=O)/C=C/c1oc2ccccc2c1C 1392012 SDMBVFSLDAVEQI-BQYQJAHWSA-N 216.236 2.927 0 50 BFAA CC(C)CC(=O)OCCc1ccccc1 1584050 JIMGVOCOYZFDKB-UHFFFAOYSA-N 206.285 2.818 0 50 BFAA endogenous,in-man CCCCSc1nc2ccccc2c(=O)n1C 2262012 QQSYMSHATXOLRJ-UHFFFAOYSA-N 248.351 2.826 0 50 BFAA Brc1ccc(C2=CCNCC2)cc1 2530001 FDRGGAPHXGEHPI-UHFFFAOYSA-N 238.128 2.826 0 50 BFAA in-vitro COc1ccc(C(=O)Cc2ccccc2)c(O)c1 2559139 WYMYJTSWNPZKHM-UHFFFAOYSA-N 242.274 2.826 0 50 BFAA Nc1ccnc2cc(C(F)(F)F)ccc12 2562240 QZOOIAOULGJTJI-UHFFFAOYSA-N 212.174 2.836 0 50 BFAA in-vitro Nc1nc(-c2ccc3c(c2)OCCCO3)cs1 2577942 ATRBJXZCQKLIBW-UHFFFAOYSA-N 248.307 2.554 0 50 BFAA c1cc[n+](C23CC4CC(CC(C4)C2)C3)cc1 5277800 SWNCWKCFRVMYDI-UHFFFAOYSA-N 214.332 2.899 0 50 BFAA Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H]2CCCO2)c1 6731444 JPYRABQDGGGWPQ-OCCSQVGLSA-N 247.338 2.660 0 50 BFAA CCCc1nc(C)cc(N2CCC(C)CC2)n1 6767915 VMPKILITJAMCDT-UHFFFAOYSA-N 233.359 2.974 0 50 BFAA COC(=O)c1ccc(F)c(C(F)(F)F)c1 34516633 IRYBOHVMFKZODT-UHFFFAOYSA-N 222.137 2.631 0 50 BFAA in-vitro O=C(O)c1cc2ccc(Cl)c(F)c2[nH]1 143346388 HRXULQOUYMZDIV-UHFFFAOYSA-N 213.595 2.659 0 50 BFAA O=Cc1ccc(-c2ccncc2F)cc1 157500161 SPXCFRCGBJROAK-UHFFFAOYSA-N 201.200 2.700 0 50 BFAA CC[C@@]1(CO)CCCN1C[C@H]1CC=CCC1 170089022 OOUXLKWQIKSLMV-KBPBESRZSA-N 223.360 2.580 0 50 BFAA COc1cc(-c2ccc(F)cc2C=O)ccn1 234932053 DEIMFMOQQNSGKT-UHFFFAOYSA-N 231.226 2.709 0 50 BFAA N[C@@H]1CCc2c1ccc(Br)c2F 238630842 UEHOBYXDJPIHPP-MRVPVSSYSA-N 230.080 2.534 0 50 BFAA C[C@@H]1CCCC[C@H]1NC(=O)CC[C@H]1CCCO1 247972202 BBQWZIJITHOIIS-JHJVBQTASA-N 239.359 2.641 0 50 BFAA O=C(O)c1ccc2cc(Cl)cnc2c1 253496110 GHHXBQGKTNFDEH-UHFFFAOYSA-N 207.616 2.586 0 50 BFAA COc1cc(F)cc(-c2nncc(C)c2C)c1 2100483822 PHXQDWBFKSMALR-UHFFFAOYSA-N 232.258 2.908 0 50 BFAA O=Cc1ccc(-c2ccc(F)cc2F)nc1 2527596 HYHVHRUOLIQTPW-UHFFFAOYSA-N 219.190 2.839 0 50 BFAA in-vitro C[C@H](C(=O)C12CC3CC(CC(C3)C1)C2)N(C)C 4336508 KFFQBBVAEUSXKI-QFGHMXTESA-N 235.371 2.722 0 50 BFAA CCCNC(=O)c1c(C)cc(C)cc1C 6741987 BDIVJHJXIUAWAN-UHFFFAOYSA-N 205.301 2.752 0 50 BFAA O[C@H](COc1ccccc1)c1ccccc1 14651615 GSBICRJXEDSPTE-CQSZACIVSA-N 214.264 2.799 0 50 BFAA in-vitro Fc1ccc(Br)c(S)c1 15442769 JBEGEMGVTNGUOV-UHFFFAOYSA-N 207.067 2.877 0 50 BFAA Nc1nccc2ccc(Br)cc12 21304136 PLOCDXILPIGHEZ-UHFFFAOYSA-N 223.073 2.580 0 50 BFAA Cc1ccc(C[C@H]2CCCCN2)cc1F 32099153 FFLHQMFCSTUIGU-GFCCVEGCSA-N 207.292 2.819 0 50 BFAA in-vitro CCOC(=O)c1ccc(F)cc1Br 35189012 FYSROUWCKUYSAP-UHFFFAOYSA-N 247.063 2.765 0 50 BFAA O=C(O)CCCc1cccc(Br)c1 36179808 MJSLVHKDBWJPCL-UHFFFAOYSA-N 243.100 2.856 0 50 BFAA CCCC(=O)c1cc2cccc(OC)c2oc1=O 57523706 GDYZEIWGOOATJN-UHFFFAOYSA-N 246.262 2.784 0 50 BFAA COc1ccc(CCN)cc1-c1ccc(O)cc1 67856605 BZWKRJVZNFVAQL-UHFFFAOYSA-N 243.306 2.569 0 50 BFAA CC(C)(C)OC(=O)c1ccsc1C=O 217593802 GMFMCZJZPZPTAK-UHFFFAOYSA-N 212.270 2.516 0 50 BFAA COc1ccc(OC)c2c1C1C=CC2(OC)C=C1 252485948 HFPZDJGGTQYGSO-UHFFFAOYSA-N 244.290 2.769 0 50 BFAA Cc1cc(C)cc(NC(=O)c2csc(O)n2)c1 336484385 DSZABPSITVUWJW-UHFFFAOYSA-N 248.307 2.718 0 50 BFAA CCC/C=C/c1ccccc1O[C@H](C)C(N)=O 426716838 HZFGGNUZTQDJGB-AYLMVEPYSA-N 233.311 2.753 0 50 BFAA CC[C@]1(C(=O)OC)O[C@@]1(C)C1CCCCC1 669382218 BSXVWPOBRGBAOH-QWHCGFSZSA-N 226.316 2.677 0 50 BFAA CCCN1CCCN([C@@H]2C=CCCC2)CC1 685939486 ZGTSLKNCZWPVFF-CQSZACIVSA-N 222.376 2.513 0 50 BFAA COC(=O)c1cc2ccc(OC(F)F)cc2[nH]1 1857782397 ISLJVULMOJOHKF-UHFFFAOYSA-N 241.193 2.556 0 50 BFAA c1coc(-c2nccn2[C@H]2CCSC2)c1 1875247932 VKVPFMVLHNCPEH-VIFPVBQESA-N 220.297 2.821 0 50 BFAA CC[C@]1(C)OC(=O)N(c2ccc(C)cc2)[C@@]1(C)O 62823 XMWMXPJLPCRTIY-KBPBESRZSA-N 249.310 2.829 0 50 BFAA CC(=O)c1ccccc1OC(=O)c1ccco1 265706 IUXXBBAXOMSNJO-UHFFFAOYSA-N 230.219 2.701 0 50 BFAA CC(C)(C)NC(=O)c1ccc(Br)o1 353618 WXIZGHGFAMCKTD-UHFFFAOYSA-N 246.104 2.570 0 50 BFAA CCCC(=O)Nc1ccc2oc(=O)ccc2c1 586920 POUHCENEBHMLCO-UHFFFAOYSA-N 231.251 2.532 0 50 BFAA O=C(O)c1cccnc1Nc1cccc(F)c1 1329562 HCEHASQDYHUQAD-UHFFFAOYSA-N 232.214 2.663 0 50 BFAA CCOc1cccc(C(=O)Nc2ccncc2)c1 4750170 XZMCVEFJVQOFSZ-UHFFFAOYSA-N 242.278 2.733 0 50 BFAA CCCCc1ccc2[nH]/c(=N\C(=O)OC)[nH]c2c1 5424253 YRWLZFXJFBZBEY-UHFFFAOYSA-N 247.298 2.506 0 50 BFAA in-man S=C1NC2=C(CCC2)[C@H](c2ccccc2)N1 5604362 ZXIJWZFGSVHPCH-LBPRGKRZSA-N 230.336 2.643 0 50 BFAA CC1(C)C[C@]23C(=O)CC[C@H](O)[C@]2(C)CC[C@H]13 13298575 UHRWOVVMQAASAO-OAACRXHESA-N 222.328 2.543 0 50 BFAA biogenic,in-vitro O=C(O)c1ccc(-c2ccccc2O)cc1 16947563 BENUSPOXKHTNPC-UHFFFAOYSA-N 214.220 2.757 0 50 BFAA in-vitro CCN(CC)CCN(C)C/C=C/c1ccccc1 22027487 XRBPTGKVTZFSDD-FMIVXFBMSA-N 246.398 2.973 0 50 BFAA O=C1CCCCCN1C(=O)Nc1ccccc1 34624081 KRMWJYDLDZJRNK-UHFFFAOYSA-N 232.283 2.621 0 50 BFAA CCOc1c(F)cccc1Br 39325994 QUPXYTPDGYOCQT-UHFFFAOYSA-N 219.053 2.987 0 50 BFAA in-vitro O=C1CCCCCCN1C(=O)c1ccccc1 39646516 GKEQHVWNPDVHMC-UHFFFAOYSA-N 231.295 2.620 0 50 BFAA COc1cccc(Cl)c1-c1cc(CO)ccn1 65386617 CYMPXIXLFVSGTI-UHFFFAOYSA-N 249.697 2.903 0 50 BFAA CCOc1ncccc1-c1ccccc1CO 67804853 YZPSYLGMKLSJKN-UHFFFAOYSA-N 229.279 2.640 0 50 BFAA CCCn1c(C)nc2cc(C(=O)OCC)ccc21 95496125 BFPRGZHDOGBLKM-UHFFFAOYSA-N 246.310 2.931 0 50 BFAA C[C@H]1CO[C@H](C[C@H](C)CCCC(C)(C)O)O1 212524591 AKZXNDJMPSPJQM-WOPDTQHZSA-N 230.348 2.715 0 50 BFAA C[C@@H](C1CC1)N(C)C(=O)[C@H]1C[C@H]2CC[C@H]1C2 225177261 ZDPNROLVGBVIEY-UKJIMTQDSA-N 221.344 2.680 0 50 BFAA C[C@@H]1C[C@@H]1C(=O)N(C)[C@H](C)c1ccccc1 249687540 SAGUQTRUDGVERG-WZRBSPASSA-N 217.312 2.862 0 50 BFAA C[C@@]1(O)C[C@]23CCCCC[C@]2(CC(=O)C3)C1 257357861 QLMZFZMBQRARSY-ZSOGYDGISA-N 222.328 2.831 0 50 BFAA O=C(N[C@@H]1C[C@H]1C1CC1)c1cc2ccccc2[nH]1 336127313 POYCGTQCQLXCFO-WCQYABFASA-N 240.306 2.696 0 50 BFAA Cc1nc(C)c(CN2C[C@@H]3CCC[C@H]32)s1 336348468 FTZWBADHMPTTAG-WDEREUQCSA-N 222.357 2.744 0 50 BFAA c1cc2c(-c3noc(C4CCC4)n3)cc[nH]c-2n1 351156295 OYNZSKNXFNDRKW-UHFFFAOYSA-N 240.266 2.832 0 50 BFAA CCS[C@@H](C)c1noc([C@]2(C)CCCO2)n1 357310312 GOTRZNANXDPFRQ-KWQFWETISA-N 242.344 2.909 0 50 BFAA COc1ccc(-c2c(C)n[nH]c2C)cc1C(C)=O 426395940 KKKKQRWNAMBKOE-UHFFFAOYSA-N 244.294 2.905 0 50 BFAA CC[C@@H](C)NC(=O)c1ccc(-c2c[nH]nc2C)o1 534633536 CLOGGYYTSWMSFH-MRVPVSSYSA-N 247.298 2.506 0 50 BFAA COc1ccc(-c2cccnc2C)cc1C=O 715277742 CFBOYCWCIZFZDI-UHFFFAOYSA-N 227.263 2.878 0 50 BFAA C=CC(=O)N1[C@H]2CC[C@H]1CC(CC(F)F)C2 899226753 YBQLOPAXNMHQBK-UWVGGRQHSA-N 229.270 2.597 0 50 BFAA C=CC(=O)N[C@H](c1ccc(F)cc1)C(F)(F)F 1262556418 MWXQBQYTAHHAQR-SNVBAGLBSA-N 247.191 2.731 0 50 BFAA C[C@@]12C[C@@H]1CN(Cc1nc3c(s1)CCCC3)C2 1772817513 RYRXEPOGNKLOSR-YGRLFVJLSA-N 248.395 2.864 0 50 BFAA Cc1ccccc1CCCn1cnc([C@@H](C)O)c1 1875275099 XPGMDYJUZSICEF-CYBMUJFWSA-N 244.338 2.878 0 50 BFAA CC(=O)c1cc(Br)cs1 161650 HXVLWNKFMNRJED-UHFFFAOYSA-N 205.076 2.713 0 50 BFAA in-vitro CCOC(=O)c1c(-c2cccnc2)csc1N 187065 VWJGOMWKOGUABQ-UHFFFAOYSA-N 248.307 2.569 0 50 BFAA CCc1cc(NC(C)=O)ccc1Br 398784 XOESARZYJCTBMO-UHFFFAOYSA-N 242.116 2.970 0 50 BFAA Cc1cccc(OCCCC(=O)O)c1C 1871161 UCSFUDMEDAWBOJ-UHFFFAOYSA-N 208.257 2.547 0 50 BFAA CCOc1cccc(-c2n[nH]c(=S)n2C)c1 2492260 CAURZSQEPDAZTD-UHFFFAOYSA-N 235.312 2.543 0 50 BFAA CC(C)c1ccccc1OCc1nnc(N)s1 4227416 SOCWLPPARVIIMQ-UHFFFAOYSA-N 249.339 2.823 0 50 BFAA Clc1ccc(Oc2cccnc2Cl)nn1 8716888 XYNCVEOOHDEKMO-UHFFFAOYSA-N 242.065 2.971 0 50 BFAA CCCc1cc([C@@H]2CCCCCN2)no1 19525397 VLRWTWPJFQJSJS-NSHDSACASA-N 208.305 2.832 0 50 BFAA O=C(O)c1ccc(C2(C(F)(F)F)N=N2)cc1 22067291 CZPAJVBVULSLGG-UHFFFAOYSA-N 230.145 2.566 0 50 BFAA in-vitro COc1ccc(/C=C/[N+](=O)[O-])c(Cl)c1OC 25726004 PXDQNCVFROGRNW-AATRIKPKSA-N 243.646 2.605 0 50 BFAA OC[C@@H](Cc1ccccc1)NC1CCCCCC1 32587150 VGOFBHNOUBVEAZ-MRXNPFEDSA-N 247.382 2.902 0 50 BFAA COc1ccc(N2C(=O)Cc3ccccc32)cc1 33468489 UZZNUBBBIPNJQU-UHFFFAOYSA-N 239.274 2.916 0 50 BFAA CC(C)CCOc1ccccc1CCN 37720440 YIXRYUVSXNIJCO-UHFFFAOYSA-N 207.317 2.613 0 50 BFAA in-vitro Nc1ccc(Oc2ccccc2)cc1N 39149142 FJVIHKKXPLPDSV-UHFFFAOYSA-N 200.241 2.643 0 50 BFAA in-vitro CCOC(=O)c1cc(CC)cc(CC)c1 43503416 ZMOPFRNZJKUPHU-UHFFFAOYSA-N 206.285 2.988 0 50 BFAA CC(C)Oc1cc(C(=O)O)cc2occc12 45921129 GVKWKBCDWPFDAK-UHFFFAOYSA-N 220.224 2.918 0 50 BFAA C[C@@H](c1cccnc1)N(C)Cc1ccncc1 65374520 UBSJWWPHWSOSTH-LBPRGKRZSA-N 227.311 2.670 0 50 BFAA Cc1ccccc1-c1ncc(-c2ncc[nH]2)cn1 67674008 YVGQVLYPLNOOTK-UHFFFAOYSA-N 236.278 2.842 0 50 BFAA Clc1cc2[nH]ncc2cc1Br 88190177 YDHLEEKDDBGPNU-UHFFFAOYSA-N 231.480 2.979 0 50 BFAA in-vitro COc1cc(OC)c(Cl)c(N)c1Cl 94568764 LCQFHEIDCMPNAN-UHFFFAOYSA-N 222.071 2.593 0 50 BFAA in-vitro COc1ccc(OC)c2c1[C@H]1CC[C@H]2[C@@](C)(O)C1 101002779 YKNJCAHIBWVXLD-WMFXKJRFSA-N 248.322 2.820 0 50 BFAA c1ccc(OCc2noc([C@@H]3CCCO3)n2)cc1 113706543 WTUBNCJPRWGZHS-NSHDSACASA-N 246.266 2.500 0 50 BFAA CCc1c(C)nc2ccccc2c1C(=O)O 129497382 LHTWJUIAWGJWTN-UHFFFAOYSA-N 215.252 2.804 0 50 BFAA c1c[nH]c(CNc2ccc3scnc3c2)n1 192256987 DBSWMYOOXYWVQD-UHFFFAOYSA-N 230.296 2.632 0 50 BFAA CC(C)n1ncc2ncc(Br)cc21 220763047 AJJSFVYHVCYYBW-UHFFFAOYSA-N 240.104 2.775 0 50 BFAA O=C(N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)C1CC1 222030639 XUJCZHUPQVBGRA-RAIGVLPGSA-N 221.344 2.872 0 50 BFAA O=C1Cc2c(Br)cc(Cl)cc2N1 228984201 MXNURYKCRIDPNM-UHFFFAOYSA-N 246.491 2.597 0 50 BFAA CCN1C[C@H](C)N(C[C@H]2CC=CCC2)[C@H](C)C1 585116590 BTULWZHAIYVMCM-ZNMIVQPWSA-N 236.403 2.757 0 50 BFAA C=CC(=O)N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 863971566 YXVSWUFTVQHGGL-DGCLKSJQSA-N 233.286 2.764 0 50 BFAA Cc1cc(O)ccc1Cc1nc(C2CC2)no1 1615613694 JQAZALMZKHBGKF-UHFFFAOYSA-N 230.267 2.552 0 50 BFAA Nc1snc2c(Br)cccc12 1857782997 HWMIVZSUZRJPJW-UHFFFAOYSA-N 229.102 2.641 0 50 BFAA Cc1ccc(-c2cnc3ncccn23)c(F)c1 1875321374 GSBRTKUBUNYVHY-UHFFFAOYSA-N 227.242 2.844 0 50 BFAA C[C@H]1CCCN(C(=O)C2CCCCC2)C1 318477 NPXDSRAYXKEXAV-NSHDSACASA-N 209.333 2.825 0 50 BFAA Cc1ccc2oc(=O)n(Cc3ccccc3)c2c1 806272 OHZOKKGTLRVETE-UHFFFAOYSA-N 239.274 2.951 0 50 BFAA in-vivo O=CNc1cc(C(F)(F)F)ccc1Cl 1682181 XEAIJWFDADPVCD-UHFFFAOYSA-N 223.581 2.927 0 50 BFAA in-vitro CC[C@H](C)NCCCOc1ccc(F)cc1 2823088 CGEQXYSAUYSINX-NSHDSACASA-N 225.307 2.983 0 50 BFAA Cc1ccc(-c2[nH]ncc2C=O)cc1C 4237546 BGDVYQOYEPSTDI-UHFFFAOYSA-N 200.241 2.506 0 50 BFAA O=C(O)c1c[nH]c2cccc(Br)c12 11919753 GJQQLCJFHKJARJ-UHFFFAOYSA-N 240.056 2.629 0 50 BFAA in-vitro CCc1ccc(-n2cccc2C(=O)O)cc1 12404846 FMZDDVCDBHSVIG-UHFFFAOYSA-N 215.252 2.738 0 50 BFAA in-vitro CCOc1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 13326432 QBARECPEBXJSAF-SKDRFNHKSA-N 219.284 2.680 0 50 BFAA CCN(CCN(C)C)Cc1ccccc1Cl 19633956 WBVZEEQPSGUXNK-UHFFFAOYSA-N 240.778 2.724 0 50 BFAA CCc1cccc2cc(C(=O)O)c(C)nc12 32099661 JJAMEZAXWWLCNW-UHFFFAOYSA-N 215.252 2.804 0 50 BFAA in-vitro COCOc1cccc2cccc(OCOC)c12 34743649 NPXRUALOXQBDDU-UHFFFAOYSA-N 248.278 2.805 0 50 BFAA CC(C)(C)OC(=O)c1cccnc1Cl 38350994 BKRYJISKTILWAE-UHFFFAOYSA-N 213.664 2.690 0 50 BFAA in-vitro COC(=O)c1cccc(Cl)c1Br 97437891 DBKFYOHGPURQCZ-UHFFFAOYSA-N 249.491 2.889 0 50 BFAA in-vitro CN(C(=O)CSC(C)(C)C)c1ccccn1 134521152 CAYROHAORLOEPF-UHFFFAOYSA-N 238.356 2.576 0 50 BFAA Clc1ccc2ncn3nc(C4CC4)nc3c2c1 170614854 MMSFHJKVPTUDAZ-UHFFFAOYSA-N 244.685 2.808 0 50 BFAA C[C@H]1C[C@H](C[C@@H]2CC[C@@H](N)[C@H](C)C2)CC[C@@H]1N 212669393 IGSBHTZEJMPDSZ-FVUFVHQMSA-N 238.419 2.904 0 50 BFAA in-vitro CCN(CC)C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 225229523 HRADBHDXXRYUMF-SRVKXCTJSA-N 209.333 2.681 0 50 BFAA Cc1ccc(NC(=O)[C@H]2CCC(F)(F)C2)nc1 225453121 FBUVOTZZPUGAEJ-VIFPVBQESA-N 240.253 2.764 0 50 BFAA CCCCCNC(=O)N1C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]21 240333481 FDMWFLRDHPDGNF-CYDGBPFRSA-N 236.359 2.617 0 50 BFAA COC(=O)c1cc(C(F)(F)F)c(F)cc1F 259431645 NPYCZGDHAGNYQQ-UHFFFAOYSA-N 240.127 2.770 0 50 BFAA C=CC(=O)N1CC[C@@H](c2cc3ccccc3[nH]2)C1 820436742 LMTZHRMTULKIMZ-GFCCVEGCSA-N 240.306 2.670 0 50 BFAA CN(C(=O)CC1CC1)c1nccc2ccccc12 1875312364 LYIKKJHNAVYVHG-UHFFFAOYSA-N 240.306 2.998 0 50 BFAA Cc1cnnc(-c2ccc3c(c2)OCCO3)c1C 2356146587 MLDPNGRKLHENOP-UHFFFAOYSA-N 242.278 2.532 0 50 BFAA Clc1cccc(CSC2=NCCN2)c1 136802 UCAFMRHQNWJBKU-UHFFFAOYSA-N 226.732 2.532 0 50 BFAA CC(C)Cc1ccc(/C=C/C(=O)O)cc1 153708 FFVQPPLMTMUAQD-BQYQJAHWSA-N 204.269 2.983 0 50 BFAA in-vitro Cc1cccc(C)c1NC(=S)N(C)C 410235 VHCHCRBADVQVIM-UHFFFAOYSA-N 208.330 2.562 0 50 BFAA CCc1ccccc1NC(=O)c1cc(C)on1 426264 LPVLHWWGQPHIGZ-UHFFFAOYSA-N 230.267 2.798 0 50 BFAA CN1c2ccccc2N(C)C1c1cccc(O)c1 431953 SRJWSSXDLWHBGX-UHFFFAOYSA-N 240.306 2.977 0 50 BFAA O=C(NC1CC1)c1cccc2ccccc12 474853 ULBQDQBHGKMMOL-UHFFFAOYSA-N 211.264 2.732 0 50 BFAA Cc1cc(=O)n2c(-c3ccccc3)csc2n1 1558058 VLLWDLLXBFXGGE-UHFFFAOYSA-N 242.303 2.731 0 50 BFAA Cc1ccc(C)c(Nc2cc(C)nc(N)n2)c1 1676607 ZFLFFCLARJZXRI-UHFFFAOYSA-N 228.299 2.728 0 50 BFAA C[C@@H](CCN1CCC[C@@H](O)C1)c1ccccc1 2498247 ZFEWIUIABNUQIW-DZGCQCFKSA-N 233.355 2.637 0 50 BFAA COc1ccc2[nH]cc(CCCC(=O)O)c2c1 2512932 CIYTWRCWBDXUQU-UHFFFAOYSA-N 233.267 2.584 0 50 BFAA Nc1ccccc1NCCOc1ccccc1 2999484 PYRLCNHZSHDZFM-UHFFFAOYSA-N 228.295 2.760 0 50 BFAA CCCCSCC(=O)n1nc(C)cc1C 3612655 OHEDMUNVGDOUQY-UHFFFAOYSA-N 226.345 2.673 0 50 BFAA CC(C)C[C@@H](N)c1nc2ccccc2[nH]1 4244047 NZXOCEISVOCBCD-SECBINFHSA-N 203.289 2.609 0 50 BFAA in-vitro CCCCC(=O)Nc1ccsc1C(=O)OC 6039801 GGFMHPGPKFPQDO-UHFFFAOYSA-N 241.312 2.663 0 50 BFAA O=C(Nc1nc(-c2ccccn2)cs1)C1CC1 6191378 JEIQXKATITVZRK-UHFFFAOYSA-N 245.307 2.554 0 50 BFAA CCCNc1ccc(OC2CCN(C)CC2)cc1 32547805 LSUVIRKZAJCETB-UHFFFAOYSA-N 248.370 2.982 0 50 BFAA Cc1ccc(O[C@@H](C)C(=O)NC(C)(C)C)cc1 42139874 MSTBSJANDBNNFZ-NSHDSACASA-N 235.327 2.677 0 50 BFAA COc1ccc(-c2ccc(N)nc2)c(C)c1 52886414 NNXMTMFZUPCBAA-UHFFFAOYSA-N 214.268 2.648 0 50 BFAA Cc1ccc(NC(=O)c2ccc(N)cc2)nc1C 71774192 FYZHOAYTFZAELD-UHFFFAOYSA-N 241.294 2.533 0 50 BFAA N[C@@H]1CCCc2c(Br)cccc21 95642289 ZJHZHNDFXRZWHW-SNVBAGLBSA-N 226.117 2.785 0 50 BFAA c1cc(C2CCNCC2)ccc1CN1CCCC1 108259799 IDLOXSGMGXSIPD-UHFFFAOYSA-N 244.382 2.749 0 50 BFAA CN(Cc1cscn1)C[C@@H]1CC=CCC1 120205746 YGKXMQLEVDVRQN-LLVKDONJSA-N 222.357 2.931 0 50 BFAA Cn1nc(Br)c2cc(Cl)ccc21 211128273 QBWOQLDBVDCJIG-UHFFFAOYSA-N 245.507 2.989 0 50 BFAA CC[C@@H](c1ccccc1)N1CC[C@@H](C(=O)O)C1 226444971 IABIVNTXVLRPMJ-OLZOCXBDSA-N 233.311 2.544 0 50 BFAA O=Cc1cc(F)c(F)c(Br)c1F 238584267 HGUUTYGEGIOGOQ-UHFFFAOYSA-N 238.990 2.679 0 50 BFAA C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Nc1cn[nH]c1 246211517 XZPJHYVGRPNBKF-JFGNBEQYSA-N 248.330 2.595 0 50 BFAA O=C(N[C@@H]1CC12CCCC2)[C@@H]1CC=CCC1 334140201 DBQILQGTCAYZSW-VXGBXAGGSA-N 219.328 2.792 0 50 BFAA CC[C@@H]1CCCN(Cc2cnc(C)cn2)CC1 335944598 XSJSALFBNJMOJL-CYBMUJFWSA-N 233.359 2.797 0 50 BFAA Cc1ccc(NC(=O)C(F)(F)F)cc1C 38843 FIUPCIWUFSPNFU-UHFFFAOYSA-N 217.190 2.804 0 50 BFAA biogenic CCOc1ccc(-c2c[nH]c(=S)nc2N)cc1 51974 CYNOTKORQCOUKC-UHFFFAOYSA-N 247.323 2.787 0 50 BFAA O=C(O)c1ccc2nc(-c3ccccc3)cn2c1 113944 FMKYTRJPDYJNNC-UHFFFAOYSA-N 238.246 2.700 0 50 BFAA Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1 333225 ZGBQIUIUFJKOKW-UHFFFAOYSA-N 237.262 2.986 0 50 BFAA Cc1cccc(C)c1C(=O)c1ccc(O)cc1O 345842 GBVRBZOBLBOKTH-UHFFFAOYSA-N 242.274 2.946 0 50 BFAA Cn1c(NCc2ccco2)nc2ccccc21 350255 UBNUCQQDFYUHQK-UHFFFAOYSA-N 227.267 2.778 0 50 BFAA C[C@H]1CC2=C(CC1(CO)CO)C(C)(C)CCC2 360705 CHMPDCQZTABMHZ-NSHDSACASA-N 238.371 2.894 0 50 BFAA biogenic CC(C)(C)c1cc(NC(=O)c2cccnc2)no1 1052257 IRKPSQXBAPUXOK-UHFFFAOYSA-N 245.282 2.619 0 50 BFAA O=C1NC(=O)/C(=C\c2cccc(Cl)c2)S1 1658571 DTXPSQFSJWKKSG-VMPITWQZSA-N 239.683 2.664 0 50 BFAA COc1ccc([C@@H]2CCCCCN2)cc1 2582652 WWJBDSBGLBEFSH-ZDUSSCGKSA-N 205.301 2.900 0 50 BFAA in-vitro CC(=O)Nc1ccc(CN2CCCCC2)cc1 2594181 VPGSUKDVDCTGQU-UHFFFAOYSA-N 232.327 2.631 0 50 BFAA O=C(NCc1ccco1)[C@H]1C[C@H]1c1ccccc1 2747347 YMFYOUIQBHWTQR-KBPBESRZSA-N 241.290 2.700 0 50 BFAA CCc1ccc2nc(C)cc(C(=O)O)c2c1 3757160 KWMQXUJWBOCQSS-UHFFFAOYSA-N 215.252 2.804 0 50 BFAA in-vitro C[C@@H]1CN(C)[C@H](C)C[C@H]1NCc1ccccc1 4298769 WSVFANOWQHGVOH-UMVBOHGHSA-N 232.371 2.505 0 50 BFAA CCC(CC)NCc1ccc2c(c1)OCO2 4685546 DZFKDLYTMSLYOH-UHFFFAOYSA-N 221.300 2.694 0 50 BFAA COc1cc(/C=C/c2ccccn2)ccc1O 8816263 NWPLMIHYEJEBJQ-FNORWQNLSA-N 227.263 2.966 0 50 BFAA CCN(CCCCO)CCc1cc(C)ccc1C 20864155 SPPAODQBAZFFFB-UHFFFAOYSA-N 249.398 2.940 0 50 BFAA C[C@H](N)c1cnc(-c2ccccc2)s1 22864237 HFIJTXCXAHAASJ-QMMMGPOBSA-N 204.298 2.830 0 50 BFAA O=Cc1c(F)cc(F)c(Br)c1F 36532781 AEHFGAMDSYBTDJ-UHFFFAOYSA-N 238.990 2.679 0 50 BFAA COc1cccc(F)c1C(=O)C(F)(F)F 40571946 NAOAQKZCJCAVPM-UHFFFAOYSA-N 222.137 2.579 0 50 BFAA in-vitro CCC(C)(C)NC(=O)COc1ccc(F)cc1 42369502 HNGNFRVPPAEXPF-UHFFFAOYSA-N 239.290 2.509 0 50 BFAA COc1ncccc1-c1ccc(C(=O)O)cc1C 67541188 MGDHVIJPWSQAGD-UHFFFAOYSA-N 243.262 2.764 0 50 BFAA C[C@@H](N)c1ccc(F)cc1Br 78222517 CASYPDKXSSJANQ-RXMQYKEDSA-N 218.069 2.608 0 50 BFAA FC(F)c1ncc(Br)s1 95743228 RTILAKBVRIHMNT-UHFFFAOYSA-N 214.034 2.843 0 50 BFAA in-vitro O=C(Cc1cccc(F)c1)Nc1ccncc1F 132192238 PVWBPWZBMCOILT-UHFFFAOYSA-N 248.232 2.541 0 50 BFAA Cc1cc(Br)c(F)cc1O 135079200 SHRYKVVPIPGXCZ-UHFFFAOYSA-N 205.026 2.602 0 50 BFAA in-vitro COC(C)(C)CNC[C@H](C)c1ccccc1 158959869 CSKVCNJMCBJEKH-LBPRGKRZSA-N 221.344 2.805 0 50 BFAA Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2 168115350 BJGOIXDGNKKASK-ITGUQSILSA-N 241.338 2.800 0 50 BFAA C1CCC(N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 193941948 QVDFNILQWNDXDK-MGPQQGTHSA-N 235.371 2.866 0 50 BFAA O=C(N[C@H]1CCCCC12CCCC2)c1cc[nH]n1 253429324 RHHYDKYTVMWEBI-LBPRGKRZSA-N 247.342 2.643 0 50 BFAA O=C1[C@H](SCc2ccccc2)CCN1C1CC1 361164651 RZBWNJCXQFFCDZ-CYBMUJFWSA-N 247.363 2.683 0 50 BFAA O=C(CCc1ccccc1)N1CC[C@H](C2CC2)C1 367148860 NTIBWYHDPJBMDS-HNNXBMFYSA-N 243.350 2.878 0 50 BFAA Cc1cc(NC(=O)N2CCC[C@H]3C[C@@H]32)cnc1C 1875297169 FNEKBTUNWUMBLM-AAEUAGOBSA-N 245.326 2.715 0 50 BFAA Cc1nn(-c2ccccc2)c(=O)c2ccccc12 51544 GUVJWGAVZJXYTJ-UHFFFAOYSA-N 236.274 2.694 0 50 BFAA biogenic O=C(O)[C@@H](c1ccccc1)[C@H](O)c1ccccc1 343609 SHLDFCNQGMQVSJ-UONOGXRCSA-N 242.274 2.588 0 50 BFAA Cc1ccc(NC(=O)c2ccc(F)cc2)nc1 362800 FVOHJIYCTRVAMA-UHFFFAOYSA-N 230.242 2.781 0 50 BFAA COc1ccc(CSCCN)cc1Cl 1820279 QDTJGXWBKVEEBS-UHFFFAOYSA-N 231.748 2.541 0 50 BFAA COc1ccc(C(C)(C)C)cc1C(=O)O 2389402 ZXMIDYAIOHHLRW-UHFFFAOYSA-N 208.257 2.691 0 50 BFAA in-vitro CCCn1c(S)nnc1-c1ccoc1C 6593836 ZFBAFHPNZIQWDY-UHFFFAOYSA-N 223.301 2.545 0 50 BFAA in-vitro CC(C)N[C@H](C)[C@@H](O)c1cccc2c1CCCC2 9350073 VKOGIFHBTYBZBN-MLGOLLRUSA-N 247.382 2.985 0 50 BFAA FC(F)(F)c1ccc(CN2CCOCC2)cc1 19634723 LOYDLLLZTLGYCE-UHFFFAOYSA-N 245.244 2.538 0 50 BFAA CCOC(=O)c1ccc(F)c(Cl)c1 20168686 NYURFOITSAPYLU-UHFFFAOYSA-N 202.612 2.656 0 50 BFAA in-vitro COc1nccnc1-c1ccc2ncccc2c1 20256623 UDPUGXLWQSILIE-UHFFFAOYSA-N 237.262 2.700 0 50 BFAA CC[C@H](Sc1ccc(Cl)cc1)C(=O)NC 20456158 AABOVXIFPVNSCK-JTQLQIEISA-N 243.759 2.957 0 50 BFAA NCc1cccc(-c2ccc(C(=O)O)cc2)c1 32565310 VUITXBJYPYIZIM-UHFFFAOYSA-N 227.263 2.511 0 50 BFAA CC(=O)Nc1cc(Br)ccc1C 37415555 HCSKOFDCUTVQKW-UHFFFAOYSA-N 228.089 2.716 0 50 BFAA in-vitro CCOc1ccc([C@H](C)O)c(OCC)c1 42684316 HLEWKJICLMIORG-VIFPVBQESA-N 210.273 2.537 0 50 BFAA in-vitro COC(=O)c1ccc(-c2c(C)noc2C)cc1 145960003 ZAGGETAPXZVNRL-UHFFFAOYSA-N 231.251 2.745 0 50 BFAA FC1(F)CN(c2ccc(C(F)(F)F)cn2)C1 169725718 HCJRSXMMYWEHKV-UHFFFAOYSA-N 238.159 2.556 0 50 BFAA O=C(O)CCN1CCCC2(CCCCC2)C1 261590498 UONQIMGFWJJTQP-UHFFFAOYSA-N 225.332 2.507 0 50 BFAA CCCC(=O)NCc1cc(-c2ccccc2)on1 299685994 USDVJHPFYJIUSV-UHFFFAOYSA-N 244.294 2.758 0 50 BFAA CC(C)C[C@H](N)C1(O)CCCCCCC1 958528515 PLTAIAJHJBWBDJ-LBPRGKRZSA-N 213.365 2.835 0 50 BFAA COc1ccc(-c2c(C)nn3c2NCCC3)cc1 1506416161 IYPLXFIMDBREMO-UHFFFAOYSA-N 243.310 2.683 0 50 BFAA CCN(C(=O)CCc1cnco1)c1ccccc1 1875321310 CUDJAVBGKJZSIJ-UHFFFAOYSA-N 244.294 2.660 0 50 BFAA Cc1ccc(NC(=O)c2cccnc2)c(C)c1 29166 ITVBOYBDEGHEHD-UHFFFAOYSA-N 226.279 2.951 0 50 BFAA COc1cccc(NC(=O)c2ccccc2)c1 128522 UCXCRDPOWBLPHN-UHFFFAOYSA-N 227.263 2.948 0 50 BFAA biogenic O=C(c1cccs1)[C@H](O)c1cccs1 132537 OGWZIOZTPNLTCR-SECBINFHSA-N 224.306 2.726 0 50 BFAA in-vitro CCC(=O)c1c(C)nc2n(C)c3ccccc3n12 432196 CGHKJYPBVZBXOP-UHFFFAOYSA-N 241.294 2.727 0 50 BFAA O=C(Cc1ccccc1)Nc1cccc(O)c1 457374 NOOCNVIYWCFDCM-UHFFFAOYSA-N 227.263 2.573 0 50 BFAA Cc1occc1C(=O)N1C[C@H](C)C[C@@H](C)C1 476879 JENVRFLBGVMGSO-NXEZZACHSA-N 221.300 2.706 0 50 BFAA COC(=O)[C@@H](C)Oc1ccc(C(C)C)cc1 1459476 HNBZCWLAXPVXER-SNVBAGLBSA-N 222.284 2.750 0 50 BFAA O[C@H](CNCCc1ccccc1)c1ccccc1 2014752 LXTNZWGUMORTKT-MRXNPFEDSA-N 241.334 2.552 0 50 BFAA CC[C@@H](C)NC(=O)Nc1ccccc1C 3958906 QRBSOKSITOQKTD-SNVBAGLBSA-N 206.289 2.915 0 50 BFAA CCC(=O)c1ccc(Oc2cnccn2)cc1 4108352 HDQKKQXUFYFBNL-UHFFFAOYSA-N 228.251 2.862 0 50 BFAA CCN1CCC(Nc2ccc(F)cc2)CC1 4990023 INEQGZKLWWNOIH-UHFFFAOYSA-N 222.307 2.722 0 50 BFAA CCc1ccc(C(=O)Nc2ccon2)s1 13745834 NYJRLHWRQODXNA-UHFFFAOYSA-N 222.269 2.551 0 50 BFAA CCCSc1ccccc1-n1cnnc1 65435894 IKDCUGMIBSNFGH-UHFFFAOYSA-N 219.313 2.769 0 50 BFAA Cc1nc(-c2ccc(C(N)=S)cc2)cs1 72284429 JKTLVEXJTGKQQK-UHFFFAOYSA-N 234.349 2.753 0 50 BFAA CNCc1ccc(C(F)(F)F)c(F)c1 113512044 FRIGHBIWIBBVHU-UHFFFAOYSA-N 207.170 2.564 0 50 BFAA Nc1ccc2c(c1)CC[C@@H](N1CCCC1)CC2 113896522 QYLOOOSMNDHSEP-HNNXBMFYSA-N 230.355 2.612 0 50 BFAA Cc1ccc(C)c(C(=O)N2CCC[C@H]2C)c1 173128601 NFTWYLMZNKOFGF-GFCCVEGCSA-N 217.312 2.928 0 50 BFAA Cc1ccc(N[S@](=O)C(C)(C)C)cc1 200964740 LBSVTZPZFDFKIY-CQSZACIVSA-N 211.330 2.869 0 50 BFAA OCCN(Cc1sccc1Cl)C1CCC1 225625681 GMSXRUKBRXBGHR-UHFFFAOYSA-N 245.775 2.748 0 50 BFAA CC[C@H](C)NC(=O)[C@H]1C[C@H]1c1ccccc1 239339178 LUMDRWWSKDYVFI-DRZSPHRISA-N 217.312 2.705 0 50 BFAA c1cncc([C@H]2CCCN2Cc2cncs2)c1 335150148 VRBPOEJMYWSAHQ-CYBMUJFWSA-N 245.351 2.875 0 50 BFAA c1coc(Cn2ccnc2-c2ccco2)c1 1875241705 YHRDMKNLXGPSLL-UHFFFAOYSA-N 214.224 2.784 0 50 BFAA O=C(Nc1ccccc1Cl)c1ccncc1 347248 VMTRIPSYQVALTD-UHFFFAOYSA-N 232.670 2.987 0 50 BFAA CC[C@H](C)NC(=O)c1cc(Cl)ccc1OC 382613 JUNFLUSDGGHRMM-QMMMGPOBSA-N 241.718 2.877 0 50 BFAA COc1ccc(-c2ccccc2N)c(OC)c1 478142 RNXBLMVGSDCADN-UHFFFAOYSA-N 229.279 2.953 0 50 BFAA Cc1ccc(C(=O)N[C@@H](C)C(C)(C)C)o1 1052368 IXMLMBSRKCLDMR-VIFPVBQESA-N 209.289 2.752 0 50 BFAA CSc1ccc(Cl)cc1C(=O)O 2529364 DHFONUYVBAIUFH-UHFFFAOYSA-N 202.662 2.760 0 50 BFAA O=C1O[C@H](c2ccccc2)C[C@@H]1C(F)(F)F 4266450 VMFJOFAAYDXZBX-IUCAKERBSA-N 230.185 2.853 0 50 BFAA CCOc1ccc(NC(=O)NC2CCC2)cc1 13331729 AIKTTZCHDRZGAM-UHFFFAOYSA-N 234.299 2.759 0 50 BFAA CO[C@@H]1CCCC[C@H]1NC1CCCCC1 16667407 PUUBMYORYPUWEI-CHWSQXEVSA-N 211.349 2.866 0 50 BFAA CCc1sc(N)nc1-c1ccccc1 17005272 JPFFDVPXYBZEPP-UHFFFAOYSA-N 204.298 2.955 0 50 BFAA in-vitro CN1CCC(N(C)CC2CCCCC2)CC1 23281271 UFLUNETWVAXHPX-UHFFFAOYSA-N 224.392 2.593 0 50 BFAA CCOC(CN[C@H](C)c1ccccc1)OCC 30834187 QDHRXUGGUCCOLT-GFCCVEGCSA-N 237.343 2.736 0 50 BFAA FC(F)(F)c1cccc(-c2cncnc2)n1 65405891 ALNRXCMBMHEQED-UHFFFAOYSA-N 225.173 2.557 0 50 BFAA COCCC[C@H]1CCCCN1Cc1ccccn1 77454756 NPRLHHZIWLAQDJ-OAHLLOKOSA-N 248.370 2.863 0 50 BFAA O=[N+]([O-])c1ccc(F)c(-c2ccncc2F)c1 149478833 BFPHSSVKDZJNQL-UHFFFAOYSA-N 236.177 2.935 0 50 BFAA Cc1cc(-c2cc(N(C)C)ncn2)ccc1F 426548869 SGGPRXKPHNXKRP-UHFFFAOYSA-N 231.274 2.657 0 50 BFAA CCCCCc1nc(-c2csc(C)n2)n[nH]1 584887412 DIWUXRWEQAOCOO-UHFFFAOYSA-N 236.344 2.969 0 50 BFAA O=C(NCc1cccnc1)c1ccccc1Cl 29566 NQAGJPZQALILOT-UHFFFAOYSA-N 246.697 2.665 0 50 BFAA Cc1ccc(-n2nnnc2-c2ccccc2)cc1 257126 XYRLQFRSIYROMT-UHFFFAOYSA-N 236.278 2.638 0 50 BFAA C[C@@H](Sc1nnc(N)s1)c1ccccc1 341762 WUTIQTORPJRSTB-SSDOTTSWSA-N 237.353 2.974 0 50 BFAA COc1ccc(C)cc1NC(=O)OC(C)C 396578 VCFHXTHGNMORPH-UHFFFAOYSA-N 223.272 2.961 0 50 BFAA COc1c2ccoc2nc2c(O)cccc12 518097 VGVNNMLKTSWBAR-UHFFFAOYSA-N 215.208 2.695 0 50 BFAA biogenic,in-vitro c1cncc(CNCC2CCCCC2)c1 804504 MQWKOLAHCPSYRR-UHFFFAOYSA-N 204.317 2.752 0 50 BFAA NNc1cc(Cl)c(Cl)cc1Cl 1234997 QFJZMVJDDBTJHB-UHFFFAOYSA-N 211.479 2.932 0 50 BFAA COc1ccc(C=O)c(C(F)(F)F)c1 2572880 BVPVUMRIGHMFNV-UHFFFAOYSA-N 204.147 2.527 0 50 BFAA in-vitro CCOC(=O)C12CC3CC(CC(C3)C1)C2 5196279 SYEXGNJRYPOUSI-UHFFFAOYSA-N 208.301 2.766 0 50 BFAA NC(=O)c1cccc(OCc2ccc(F)cc2)c1 16527238 NKESOALIWGLWHX-UHFFFAOYSA-N 245.253 2.504 0 50 BFAA Nc1ccc(Cl)cc1C(=O)N1CCCCC1 19257992 UZILIFILTHTXPG-UHFFFAOYSA-N 238.718 2.548 0 50 BFAA CC[C@H](C)NC(=O)c1ccc(OC)c(Cl)c1 21143527 OGVIXTNGQFYBOL-QMMMGPOBSA-N 241.718 2.877 0 50 BFAA CCOCc1ccc(Br)cc1 32208746 GHMBQMRBQQURAS-UHFFFAOYSA-N 215.090 2.986 0 50 BFAA in-vitro COc1ccccc1Cc1nccnc1Cl 34924963 CYWOVNRUTNABEU-UHFFFAOYSA-N 234.686 2.729 0 50 BFAA C1=C(Cc2nc(C3CC3)n[nH]2)CCCC1 65371245 KNSYXMHWMSPIDU-UHFFFAOYSA-N 203.289 2.725 0 50 BFAA CNc1cc(C(F)(F)F)cc(Cl)n1 66323339 RFATTWKJSLOMMZ-UHFFFAOYSA-N 210.586 2.796 0 50 BFAA Nc1cc(Cl)cc(N)c1C(F)(F)F 79387431 BWEDCFBHXDEJGY-UHFFFAOYSA-N 210.586 2.523 0 50 BFAA O=S=Nc1cccc(C(F)(F)F)c1 96032118 CLMAHKQUGFOWST-UHFFFAOYSA-N 207.176 2.734 0 50 BFAA C[C@H](C(=O)Nc1ccncc1F)c1ccccc1 165326712 CLSBITPACBZERF-JTQLQIEISA-N 244.269 2.963 0 50 BFAA CSC[C@](C)(O)CN[C@@H](C)C1CCCCC1 165351894 HTSWSSYOEDTCFV-WCQYABFASA-N 245.432 2.659 0 50 BFAA C[C@@H]1[C@@H](NCC[C@H](C)[S@@](C)=O)CCC[C@H]1C 221772632 YCXBMSMUMCMXCI-FDZNKFEOSA-N 245.432 2.558 0 50 BFAA C[C@@H]1C[C@@H](C)[C@H](c2nc(-c3ccoc3)no2)O1 289157886 UHHALKIMTCRBLP-NQMVMOMDSA-N 234.255 2.816 0 50 BFAA C[C@H]1c2ccsc2CCN1c1cnc(F)cn1 853096346 YHEQCGVEBLEHJP-QMMMGPOBSA-N 249.314 2.801 0 50 BFAA O=C(CC1C2CC3CC(C2)CC1C3)N1CC=CC1 910026793 GVUPCFSQEGTXSC-UHFFFAOYSA-N 245.366 2.847 0 50 BFAA Cc1cc(C)n(C2CN([C@@H]3CCC(C)(C)C3)C2)n1 1857695328 DXHHQESGRNRRCB-CYBMUJFWSA-N 247.386 2.935 0 50 BFAA Cc1cc(-c2cc(N)c(C)cc2C)n[nH]1 2325778346 USOCTKYKHRCONS-UHFFFAOYSA-N 201.273 2.584 0 50 BFAA CCc1cccc(OCCn2ccnc2)c1 311499 NKDNGXGTUVKPLR-UHFFFAOYSA-N 216.284 2.525 0 50 BFAA O=C(NC1CCCC1)c1cc(-c2ccco2)on1 425675 YAWKYURRIHVFTJ-UHFFFAOYSA-N 246.266 2.607 0 50 BFAA CC1(C)OC(c2ccccc2O)OC1(C)C 446345 OYZDEDJEAAGWEI-UHFFFAOYSA-N 222.284 2.995 0 50 BFAA CCOc1cccc(C(=O)NCc2ccco2)c1 452100 HOCCOVGSVFDILW-UHFFFAOYSA-N 245.278 2.608 0 50 BFAA C[C@H]1CCCCN1C(=S)NC1CCCC1 1123883 MOWYTGBIFWPLLM-JTQLQIEISA-N 226.389 2.678 0 50 BFAA O=C(Nc1ccccc1F)N1CCCCC1 1752740 COTSEKUIURHOLH-UHFFFAOYSA-N 222.263 2.844 0 50 BFAA Cc1cc(C(=O)NC2CCCCCCC2)no1 13329548 KOAPHKRZCRKOLK-UHFFFAOYSA-N 236.315 2.826 0 50 BFAA CC[C@H](C)NC(=O)[C@H](C)Oc1cc(C)ccc1C 13710112 DIKWMGQSLHGBDL-STQMWFEESA-N 249.354 2.985 0 50 BFAA CCCCOc1ccc(C(=O)N(C)C)cc1 16604197 LFVLYUPTWIJRKK-UHFFFAOYSA-N 221.300 2.567 0 50 BFAA Nc1ccc(-c2nc3ccccc3s2)cn1 19229968 IOUXHHSEJFVUMU-UHFFFAOYSA-N 227.292 2.941 0 50 BFAA in-vitro CCN(CC)CCN(C)[C@@H]1CCC[C@@H](C)C1 23283330 YDPGOMKMVCAXNB-ZIAGYGMSSA-N 226.408 2.839 0 50 BFAA Cc1cccc(CC(=O)N2CCS[C@@H](C)C2)c1 171567411 IGSYUMKFIDQHAI-LBPRGKRZSA-N 249.379 2.501 0 50 BFAA 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 245227225 GYFYKIHJGPVWNB-RCPQHDKBSA-N 218.193 2.645 0 50 BFAA CC1=CCC[C@H](C)[C@@H]1CN[C@H](C)CCCO 248424507 IIYKRXGZKIPFKQ-BFHYXJOUSA-N 225.376 2.729 0 50 BFAA CCCCNC(=O)c1cccc([C@H]2CCOC2)c1 270465533 GIIYAWPPVMAJSJ-AWEZNQCLSA-N 247.338 2.720 0 50 BFAA O=C(c1occ2c1CCC2)N1CCC2(CCC2)C1 334378626 XUAJXTNIKGJWRM-UHFFFAOYSA-N 245.322 2.785 0 50 BFAA COc1cc(OC)nc(-c2c(C)cccc2C)n1 426623166 FDXRTVMGRZLKEU-UHFFFAOYSA-N 244.294 2.778 0 50 BFAA CC[C@@H](C)CNc1ccc(-c2nc[nH]n2)cc1 725242791 YSFJMRQDOLGRLW-SNVBAGLBSA-N 230.315 2.930 0 50 BFAA O=C(Nc1ccc(F)nc1)N1CC[C@@H]2CCC[C@H]21 1875263770 IPRMPNKKWNCCPM-GXSJLCMTSA-N 249.289 2.627 0 50 BFAA Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3O 178915 YYBPWZOWPCHCIR-LBPRGKRZSA-N 201.269 2.846 0 50 BFAA biogenic COc1ccc(OC(=O)OCC(C)C)cc1 276828 DVHVQXDNFHZQJY-UHFFFAOYSA-N 224.256 2.867 0 50 BFAA O=C(c1ccc(F)cc1)c1cnc2ccccn12 390174 ZMNUBYAVBORKLX-UHFFFAOYSA-N 240.237 2.704 0 50 BFAA CCC(=O)Nc1ccc(-c2csc(N)n2)cc1 474314 GEEFIJBVKKXOLU-UHFFFAOYSA-N 247.323 2.741 0 50 BFAA Cc1cc(C)cc(C(=O)Nc2ccncc2)c1 496675 CCNFPVJFSPDTGE-UHFFFAOYSA-N 226.279 2.951 0 50 BFAA CCCCCCNS(=O)(=O)c1ccccc1 1656291 SKERWNIJEZZECH-UHFFFAOYSA-N 241.356 2.545 0 50 BFAA CCCCNC(=O)Cc1ccc(Cl)cc1 2742038 IMQOJKRMXQNWKG-UHFFFAOYSA-N 225.719 2.799 0 50 BFAA CCCC[C@@]1(C)NC(=S)N(c2ccccc2)N1 2893206 IRIJHSJAVQLFSN-ZDUSSCGKSA-N 249.383 2.792 0 50 BFAA Cc1ccc(C(=O)Nc2nccs2)s1 3410192 LJHKKHFSZGKOKA-UHFFFAOYSA-N 224.310 2.765 0 50 BFAA O=C(O)CCCC(=O)c1ccc(Cl)c(F)c1 4242547 GWPVAONYRKBXDR-UHFFFAOYSA-N 244.649 2.917 0 50 BFAA CCOc1cccc(CNCc2cccnc2)c1 4413456 UQTPZZXAYCKYOC-UHFFFAOYSA-N 242.322 2.770 0 50 BFAA CCNCCOc1ccc(Cl)c(C)c1 6702388 JETZEQAXQGLWPD-UHFFFAOYSA-N 213.708 2.637 0 50 BFAA COC(=O)c1cc2cccc(F)c2s1 8730026 NOARBDNEINIRHZ-UHFFFAOYSA-N 210.229 2.827 0 50 BFAA in-vitro CC(=O)c1cc(N2CCC[C@H](C)C2)ccc1N 8730162 BWFZBTKGMUYYLX-JTQLQIEISA-N 232.327 2.708 0 50 BFAA CC[C@H](C)NC(=O)N1CCc2ccccc2C1 13746228 UMBNFGJDEDHZCD-NSHDSACASA-N 232.327 2.553 0 50 BFAA Cc1ccc(F)c(NC(=O)c2ccoc2)c1 16261124 KTEJTUCMVPYEGQ-UHFFFAOYSA-N 219.215 2.979 0 50 BFAA Clc1c[nH]c2nccc(Br)c12 19046177 NTAZESWKVUMQKW-UHFFFAOYSA-N 231.480 2.979 0 50 BFAA Cc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 23114713 HBWPJYOTLIHNDA-CHWSQXEVSA-N 219.328 2.604 0 50 BFAA COc1ccc([C@H](C)O)c(Br)c1 40264550 UJSSRKRHXCIJRN-LURJTMIESA-N 231.089 2.511 0 50 BFAA in-vitro CC(=O)Nc1cccc2cccc(O)c12 43214614 XHOWGWWNFSHBAM-UHFFFAOYSA-N 201.225 2.504 0 50 BFAA Fc1ccc2nc(-c3ccncc3)[nH]c2c1 69835897 JHZZRTBFHQVORO-UHFFFAOYSA-N 213.215 2.764 0 50 BFAA in-vitro O[C@@H]1Cc2ccccc2N(c2ccccc2)C1 71773065 QIUKNCLOOBFEAK-CQSZACIVSA-N 225.291 2.742 0 50 BFAA COC(=O)c1ccc(C(F)(F)F)s1 98214277 KMGATTBDJVDZLC-UHFFFAOYSA-N 210.176 2.554 0 50 BFAA O=C([C@@H]1[C@H]2CCCC[C@H]21)N1CCCC2(CC2)C1 249357467 RROAOPCHTRWRPV-ITGUQSILSA-N 233.355 2.825 0 50 BFAA O=C(Nc1cc(F)ccn1)Oc1ccccc1 263623478 HTRWSYNHQQMXQB-UHFFFAOYSA-N 232.214 2.832 0 50 BFAA Cc1ccc2c(c1)CN(C(=O)C(C)(C)C)CCO2 288522952 UBHKITADOIVQRY-UHFFFAOYSA-N 247.338 2.762 0 50 BFAA Cn1cnc(-c2cccc(C3CCC3)c2)c1CO 952881665 CBUCJQRUDYSZEV-UHFFFAOYSA-N 242.322 2.847 0 50 BFAA c1c(C2CCC2)n[nH]c1CN1C[C@H]2CC[C@H]2C1 2325815871 ZJJQQSAHDAJBPJ-TXEJJXNPSA-N 231.343 2.519 0 50 BFAA CCOC(=O)Nc1cc(C)ccc1OC 145335 QDJJDRMGIIKSMK-UHFFFAOYSA-N 209.245 2.572 0 50 BFAA CSc1sc(SC)c(C(=O)O)c1C=O 223846 UTUYPQJLQYAIMD-UHFFFAOYSA-N 248.350 2.703 0 50 BFAA CN1CCC(Nc2ccccc2Cl)CC1 227718 ZZNNFQMJBQLZCF-UHFFFAOYSA-N 224.735 2.846 0 50 BFAA COC(=O)[C@@H](C)CSCc1ccccc1 396239 VIAAAKCYRCELPR-JTQLQIEISA-N 224.325 2.729 0 50 BFAA Oc1ccc(Br)cc1-c1ccno1 403148 CZXKAQGBZPKRHU-UHFFFAOYSA-N 240.056 2.810 0 50 BFAA in-vitro Cc1ccc(CSCC(=O)NC2CC2)cc1 453654 UJIDTZDKEFCVJY-UHFFFAOYSA-N 235.352 2.507 0 50 BFAA O=C(O)c1ccc(Cl)c(-n2cccc2)c1 563780 RKHQUTCHCRFSRB-UHFFFAOYSA-N 221.643 2.829 0 50 BFAA in-vitro CC(C)=CCC[C@@H](C)CN1CCC[C@H]1CO 2494726 AOSTYZSPTDXKKY-KGLIPLIRSA-N 225.376 2.826 0 50 BFAA COc1cc(F)c(F)cc1Br 2545226 DKARISQFDBAJEZ-UHFFFAOYSA-N 223.016 2.736 0 50 BFAA biogenic,in-vitro ClC(Cl)(Cl)CCCCn1cncn1 3131072 UWWOPDJSXZKIAU-UHFFFAOYSA-N 242.537 2.819 0 50 BFAA C[C@H]1CCC[C@@H](C)N1C(=O)NC1CCCC1 13328230 YUVDGWCUBSIXBY-PHIMTYICSA-N 224.348 2.902 0 50 BFAA COc1ccc2c(c1)CCC[C@@H]2CC(=O)O 20259977 XSGCUQLKTRSCDY-SNVBAGLBSA-N 220.268 2.590 0 50 BFAA in-vitro Cc1ccc(-c2nc(CO)cs2)cc1 21952696 MUQRQDVYECSELB-UHFFFAOYSA-N 205.282 2.611 0 50 BFAA in-vitro Cc1ccc([C@@H](O)C(F)(F)F)cc1C 42268182 DDTZKGMNCORHBB-SECBINFHSA-N 204.191 2.899 0 50 BFAA O=C(O)c1sc(Br)cc1Cl 83351208 DUUPWFRCVBAIKZ-UHFFFAOYSA-N 241.493 2.862 0 50 BFAA Cc1nc(C)c([C@@H]2CCCN2)c(C)c1C 86032737 ILPHEAGTASKCGH-LBPRGKRZSA-N 204.317 2.740 0 50 BFAA N[C@H](c1cccnc1C(F)(F)F)C1CC1 166566922 GRCFUAJTIBIKEP-QMMMGPOBSA-N 216.206 2.510 0 50 BFAA Fc1ccnn1-c1ccc(Br)cc1 258295435 POYZKZYTZULOFB-UHFFFAOYSA-N 241.063 2.774 0 50 BFAA CCc1nc(-c2cc(C)c(OC)c(C)c2)nn1C 426360066 ZXUWRMMXBWOXGX-UHFFFAOYSA-N 245.326 2.670 0 50 BFAA CCc1nc(-c2ccc(OC(C)C)cc2)n(C)n1 426580999 MEYGKUWZOJRFPZ-UHFFFAOYSA-N 245.326 2.832 0 50 BFAA CC(C)(C)c1onc(-c2ccco2)c1C(=O)O 675057751 NFQFUPAOAPSTCT-UHFFFAOYSA-N 235.239 2.930 0 50 BFAA CCN1CC[C@@H](n2ccnc2-c2ccccc2)C1 1857726935 FUABHQURLUENLA-CQSZACIVSA-N 241.338 2.817 0 50 BFAA CCSc1sc(CC)c(C(=O)O)c1C=O 42384 ZERRUDHBKSDREN-UHFFFAOYSA-N 244.337 2.933 0 50 BFAA CC(=O)c1ccc(Br)s1 96540 IGBZCOWXSCWSHO-UHFFFAOYSA-N 205.076 2.713 0 50 BFAA in-vitro O=C(Nc1cccnc1)[C@H]1C[C@H]1c1ccccc1 140090 WTOILWVPRTVEAN-KBPBESRZSA-N 238.290 2.824 0 50 BFAA COc1cccc(NC(=O)Oc2cccnc2)c1 395432 LKOXKAZGFOMSCB-UHFFFAOYSA-N 244.250 2.701 0 50 BFAA O=C1c2ccccc2C(=O)N1Cc1cccs1 402122 FRBDLDNQZCDPOB-UHFFFAOYSA-N 243.287 2.544 0 50 BFAA Cc1cccc(CC(=O)c2ccccc2)n1 402371 FSRFOUJYDNWXNK-UHFFFAOYSA-N 211.264 2.815 0 50 BFAA COc1cccc(C(=O)Nc2cccc(N)c2)c1 617173 VPFJFYKNXWHWKK-UHFFFAOYSA-N 242.278 2.530 0 50 BFAA Cc1ccc(C(=O)Nc2cccnc2)c(C)c1 1255808 JYVVPELRIACAQK-UHFFFAOYSA-N 226.279 2.951 0 50 BFAA O=C(OCc1ccccc1)N1CCCCC1 1584005 TUWZZXGAUMSUOB-UHFFFAOYSA-N 219.284 2.809 0 50 BFAA O=C(Nc1cccc(F)c1)OCC(F)(F)F 2172816 KYNKUHNOWOICID-UHFFFAOYSA-N 237.152 2.937 0 50 BFAA CN(C)CCCCOc1ccccc1F 2823973 CXHGIRDNISBVTO-UHFFFAOYSA-N 211.280 2.546 0 50 BFAA c1ccc2c(c1)ccn2Cn1nnc2ccccc21 3157351 CHXGJWXOGQXSBS-UHFFFAOYSA-N 248.289 2.892 0 50 BFAA O=C(O)c1cc2oc3ccccc3c2cc1O 4577642 QWRCZQZZFQIUEF-UHFFFAOYSA-N 228.203 2.990 0 50 BFAA CCCCC(=O)c1cc2ccc(O)cc2oc1=O 8733319 HNGFGKVOBTXCOZ-UHFFFAOYSA-N 246.262 2.872 0 50 BFAA CCCN[C@@H]1CCc2c(cccc2OC)C1 13759787 ICJPCRXVYMMSJY-GFCCVEGCSA-N 219.328 2.552 0 50 BFAA in-vitro Cn1c([C@H]2C[C@H]2c2ccccc2)n[nH]c1=S 15933420 DHIIASXOBAVUMS-UWVGGRQHSA-N 231.324 2.749 0 50 BFAA CN[C@H](C)c1ccc(C(F)(F)F)cc1 16082639 HJCYBPVJJPKIFJ-SSDOTTSWSA-N 203.207 2.986 0 50 BFAA in-vitro COc1ccccc1NC(=O)Nc1cc(C)on1 16552483 ZEXGKIRPAKYEIZ-UHFFFAOYSA-N 247.254 2.636 0 50 BFAA CCOc1cc(F)cc(Br)c1 39100551 SQLIBVAWDBGNHE-UHFFFAOYSA-N 219.053 2.987 0 50 BFAA in-vitro Clc1ccc([C@H]2NCCn3cccc32)cc1 53993675 ZTJBTXDWTBNNPZ-CYBMUJFWSA-N 232.714 2.834 0 50 BFAA in-vitro CCN(CC)c1nc(Cl)nc2cccnc12 90450284 BVRSXOHTYPPHOK-UHFFFAOYSA-N 236.706 2.524 0 50 BFAA COc1ccc(CCCn2ccnc2)c(OC)c1 91492979 OALDOAFXKTYNFN-UHFFFAOYSA-N 246.310 2.533 0 50 BFAA CC(=O)C(Sc1ccc(C)cc1)C(C)=O 100710168 MZGRGXYDVMBQOO-UHFFFAOYSA-N 222.309 2.634 0 50 BFAA CCCC[C@H](CC)[C@H](O)[C@H](C)[C@H](C)O 100965662 LJGRJTMTDBCJEG-NOOOWODRSA-N 202.338 2.581 0 50 BFAA in-vitro O=C1CCc2c1ccc(F)c2Br 113513099 JTVKCVNXTBXSOL-UHFFFAOYSA-N 229.048 2.717 0 50 BFAA in-vitro C[C@H]1C[C@@H](c2nc(-c3ccsc3)no2)CCN1 235724793 CPNWZECRNDEPSA-IUCAKERBSA-N 249.339 2.654 0 50 BFAA CCCCCn1c[n+](Cc2ccc(C)cc2)cn1 252495739 OYOUMLTUMISKOV-UHFFFAOYSA-N 244.362 2.718 0 50 BFAA Cc1cc(C(=O)N[C@@H]2CC[C@@H](F)C2)c(C)o1 334515025 DANZOXLFZVOYRZ-NXEZZACHSA-N 225.263 2.517 0 50 BFAA Cc1cccn(C[C@@H]2CCCC2(F)F)c1=O 334570411 VUOPQPFWXYZONX-JTQLQIEISA-N 227.254 2.592 0 50 BFAA CCc1ccc(CN2CCC[C@@H](F)C2)nc1 902991912 FFYYOJXLTYHPGE-GFCCVEGCSA-N 222.307 2.578 0 50 BFAA C[C@H]1C(NCc2ccccc2-n2cccn2)[C@@H]1C 2325797431 URVXUNPWBIMCNS-VXGBXAGGSA-N 241.338 2.616 0 50 BFAA CCOc1ccc(-c2csc(N)n2)cc1 84210 DBVFYWQXVNAKCZ-UHFFFAOYSA-N 220.297 2.791 0 50 BFAA in-vitro O=C(c1ccco1)N1CC[C@@H](c2ccccc2)C1 260766 WCDZIHJPPNZQLG-CYBMUJFWSA-N 241.290 2.909 0 50 BFAA O=C(/C=C/c1ccc(F)cc1)Nc1nccs1 432915 VXGDPSPESYBVCJ-ZZXKWVIFSA-N 248.282 2.934 0 50 BFAA Cc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)C2=O 1810625 OBHVGYORQQHBKS-VIFPVBQESA-N 243.306 2.810 0 50 BFAA biogenic C[C@H](CCCCCC[C@@H](C)C(=O)O)C(=O)O 2029348 HGPLPTQLYAHGDY-NXEZZACHSA-N 230.304 2.768 0 50 BFAA CCCc1nnc(S)n1-c1ccccc1 5822854 VCAFSRUHGDHWPK-UHFFFAOYSA-N 219.313 2.509 0 50 BFAA CCOc1ccc(NC(=O)N2CCCC2)cc1 6699388 CLHMUYFDFWKEGW-UHFFFAOYSA-N 234.299 2.713 0 50 BFAA COc1ccc(Nc2cc(C)ncn2)cc1OC 11902781 MJMDMCKEKQGYPY-UHFFFAOYSA-N 245.282 2.546 0 50 BFAA Nc1[nH]nc(C(F)(F)F)c1-c1ccccc1 13136001 PTOIGRHOCJXCQD-UHFFFAOYSA-N 227.189 2.678 0 50 BFAA in-vitro Cc1noc(C)c1C(=O)N[C@H]1CCCC[C@@H]1C 13329521 CXIPWBPNSSYTOB-KWQFWETISA-N 236.315 2.600 0 50 BFAA N=C(N)SCc1cccc(C(F)(F)F)c1 22363880 QNMPXISCVMJATG-UHFFFAOYSA-N 234.246 2.832 0 50 BFAA in-vitro C/C(=C\c1ccccc1)CN1CCC[C@H](CO)C1 23281124 YRGLTWKRVIAZKB-DKGMDFAASA-N 245.366 2.794 0 50 BFAA COc1ccc(C(C)(C)O)cc1Br 57534858 INXLMQJSTKLRME-UHFFFAOYSA-N 245.116 2.685 0 50 BFAA CCC(=O)c1ccc2c(C)cc(=O)oc2c1 64038020 GCGMZBBHLTXDMF-UHFFFAOYSA-N 216.236 2.694 0 50 BFAA CC(C)(C)OC(=O)N1C[C@@H]2CC=CC[C@H]2C1 64038043 BQRMVHVRBBRSOH-QWRGUYRKSA-N 223.316 2.820 0 50 BFAA in-vitro CCc1cc(NCCCOC2CCCC2)ncn1 95392817 DZPJFUCIBHZRJP-UHFFFAOYSA-N 249.358 2.800 0 50 BFAA CC(C)CCN1CCc2ccc(C(=O)O)cc2C1 135411093 HHKHJIBXCZIDTH-UHFFFAOYSA-N 247.338 2.789 0 50 BFAA CC(=O)c1cccc(C(F)(F)C(F)(F)F)n1 169677468 KCNUAVPBVPTCLU-UHFFFAOYSA-N 239.143 2.938 0 50 BFAA COC(=O)[C@@H](c1ccccc1)C(F)(F)F 196695010 KJBFYUNCVGESFQ-MRVPVSSYSA-N 218.174 2.506 0 50 BFAA Nc1ccc(C(F)(F)F)c2ccncc12 685962680 PHXSADPYAUOUFD-UHFFFAOYSA-N 212.174 2.836 0 50 BFAA C=CC(=O)Nc1ccc(-c2ccccn2)cc1 709729729 PJJINULOQQXALL-UHFFFAOYSA-N 224.263 2.873 0 50 BFAA CC1=NO[C@](C)(c2nc(-c3ccsc3)no2)C1 1615553217 VKNHMKQDEXFALN-NSHDSACASA-N 249.295 2.810 0 50 BFAA COc1ccc(OC)c2c(C)cc(C)nc12 51352 YSUKHSPBLNUACE-UHFFFAOYSA-N 217.268 2.869 0 50 BFAA biogenic COc1ccccc1Nc1cccccc1=O 179228 DLUGDUFNFUXHLO-UHFFFAOYSA-N 227.263 2.799 0 50 BFAA biogenic Cc1cccc(NC(=O)c2cccc(N)c2)c1 236122 WWPARZLQFZGMBB-UHFFFAOYSA-N 226.279 2.830 0 50 BFAA in-vitro O=C(NCc1ccc(Cl)cc1)c1cccnc1 290774 DLHGUNPTGONJRD-UHFFFAOYSA-N 246.697 2.665 0 50 BFAA Cc1ccc(OC(=O)c2ccc(N)cc2O)cc1 394347 OJIOCNFCPOQZFN-UHFFFAOYSA-N 243.262 2.502 0 50 BFAA COc1c(Cl)cc(C=O)cc1Cl 454532 LEEKELDJRCUBEM-UHFFFAOYSA-N 205.040 2.815 0 50 BFAA biogenic,in-vitro CC(C)(C)NC(=O)c1ccc(Cl)cc1 493304 XOEWMCMXPCWIDY-UHFFFAOYSA-N 211.692 2.868 0 50 BFAA in-vitro CCN(CC)C(=O)COc1ccc(Cl)cc1 585083 CKMXXQZVHLKTAP-UHFFFAOYSA-N 241.718 2.587 0 50 BFAA CN(C)Cc1ccccc1[C@H]1CCCCCN1 4234908 LDSMIZOJFSCJMT-OAHLLOKOSA-N 232.371 2.953 0 50 BFAA CCCCC(=O)Nc1ccc(C)cc1N 5792205 WPIHMSGYYXMALX-UHFFFAOYSA-N 206.289 2.706 0 50 BFAA in-vitro COC(=O)c1ccc(-c2ccccc2O)cc1 6735137 LFCLBBQKXWPXCX-UHFFFAOYSA-N 228.247 2.846 0 50 BFAA in-vitro CNc1ccccc1C(C)(C)c1ccn[nH]1 6962188 GEOFLACOSJKAKR-UHFFFAOYSA-N 215.300 2.777 0 50 BFAA Cc1nc(C(=O)Nc2ccccc2Cl)co1 22606352 BHVHOWSYRIVETD-UHFFFAOYSA-N 236.658 2.889 0 50 BFAA Cc1cc2nn(C)cc2cc1Br 36533456 YXQQOUJQUKPYGU-UHFFFAOYSA-N 225.089 2.644 0 50 BFAA in-vitro COC(=O)[C@H](NC1CCCC1)c1cccc(C)c1 37970148 HDLHAHKHBWLHJR-CQSZACIVSA-N 247.338 2.741 0 50 BFAA O=C1c2ccccc2-c2ccnc(Cl)c21 40450050 RWNMCMIMSZBPPE-UHFFFAOYSA-N 215.639 2.946 0 50 BFAA CCNc1nc(CC)nc2sc(C)cc12 41090638 MWKGIWTVXSECCM-UHFFFAOYSA-N 221.329 2.994 0 50 BFAA Nc1ccc2sc(C(F)(F)F)nc2c1 45237524 CTCYOMZRHNZGRF-UHFFFAOYSA-N 218.203 2.897 0 50 BFAA in-vitro NCCCCCCC(=O)OCc1ccccc1 48632325 IGIUOXOEWODHNE-UHFFFAOYSA-N 235.327 2.639 0 50 BFAA O=C(O)c1cc(-c2cccc(O)c2)ccc1F 65349560 KBMWODWZENMSCQ-UHFFFAOYSA-N 232.210 2.897 0 50 BFAA in-vitro O=C(O)C1(c2cccc(Cl)c2F)CCC1 116942464 MERBYNKLQNNCEY-UHFFFAOYSA-N 228.650 2.985 0 50 BFAA in-vitro CO/C=C/[C@H]1CCCN1C(=O)OC(C)(C)C 147205849 NAJZYJUGPXMTDO-TTZKWOQHSA-N 227.304 2.546 0 50 BFAA Cc1nc2ccccc2c(NC[C@H](C)O)c1C 195559647 XTVPKHUZCNTUDA-VIFPVBQESA-N 230.311 2.644 0 50 BFAA CC1(C)CCC[C@@H]1N[C@H]1CCN2CCC[C@H]2C1 251180696 QTMLNUMBLBWNSJ-IHRRRGAJSA-N 236.403 2.782 0 50 BFAA CCn1ccc(CN2C[C@H]3CC=C(C)C[C@H]3C2)n1 252484955 GKZYNBQSJOQDRQ-KGLIPLIRSA-N 245.370 2.691 0 50 BFAA C[C@@H](c1ccc(CC(=O)O)cc1)C(F)(F)F 258430212 HAEYUYHOBWCNFI-ZETCQYMHSA-N 232.201 2.980 0 50 BFAA Cc1c(NC2CCCCC2)cnn1[C@@H]1CCOC1 335576518 NFOMZMXTQCMKKD-CYBMUJFWSA-N 249.358 2.898 0 50 BFAA Cc1nocc1NC(=O)N[C@@H]1CC12CCCCC2 585119529 JWUXVPXHLZPHIC-LLVKDONJSA-N 249.314 2.827 0 50 BFAA Cc1ccc([C@@H](C)NC(=O)c2occc2C)cn1 670457949 JEOIGFCRWPJVNB-LLVKDONJSA-N 244.294 2.782 0 50 BFAA Fc1ccc2nc(N3CCCC3)oc2c1 891394963 KYZJUBUKUHEEKK-UHFFFAOYSA-N 206.220 2.567 0 50 BFAA CC[C@@H](C)CCNCc1cccc2nonc12 952874232 YWQKLKJJJGJTRP-SNVBAGLBSA-N 233.315 2.749 0 50 BFAA C=CC(=O)N1CC[C@H](c2ccccc2)[C@H]1C 1120460959 UJSMRYWKYLFTET-YPMHNXCESA-N 215.296 2.577 0 50 BFAA COc1cc(OC)nc(-c2cc(C)ccc2C)n1 1241187815 OUCDWQYBQLVUAQ-UHFFFAOYSA-N 244.294 2.778 0 50 BFAA COc1cccc(C)c1C(=O)N[C@H]1C=CCCC1 1506398205 AIDBYYJHVVOVQX-LBPRGKRZSA-N 245.322 2.842 0 50 BFAA Cc1cnnc(-c2ccnc3[nH]ccc23)c1C 2356139122 BDWUGWHBWCCZOA-UHFFFAOYSA-N 224.267 2.637 0 50 BFAA CSc1cc(-c2ccc(F)cc2)n[nH]1 82134 ZDFTZMJWTJLPRE-UHFFFAOYSA-N 208.261 2.938 0 50 BFAA in-vitro Cn1nc(-c2ccccc2)c(C=O)c1Cl 168325 LIUUTPYWKXCVCS-UHFFFAOYSA-N 220.659 2.553 0 50 BFAA in-vitro CC(=O)Nc1ccc(NC(=O)NC(C)(C)C)cc1 400438 HLPRDTSXUIYFEJ-UHFFFAOYSA-N 249.314 2.565 0 50 BFAA COc1cccc(NC(=O)C2CCCC2)c1 476710 ABISNQXLTLQOFN-UHFFFAOYSA-N 219.284 2.824 0 50 BFAA COc1cc2occc2c2oc(=O)ccc12 1846642 AJSPSRWWZBBIOR-UHFFFAOYSA-N 216.192 2.548 0 50 BFAA biogenic,in-vitro COc1ccc(Br)c2[nH]ccc12 2525086 WWKHWWGUJPWWDF-UHFFFAOYSA-N 226.073 2.939 0 50 BFAA in-vitro COc1cccc(-c2cccc(CC(=O)O)c2)c1 2581007 QJYWEINWHUVEEN-UHFFFAOYSA-N 242.274 2.989 0 50 BFAA O=C(O)c1ccc(-c2ccc3c(c2)OCO3)cc1 2581017 QZKDXSOKZHLFHE-UHFFFAOYSA-N 242.230 2.781 0 50 BFAA c1cc2c(cc1CCNC1CCCCC1)OCO2 4030967 DJZFWKUVYFNZAF-UHFFFAOYSA-N 247.338 2.880 0 50 BFAA CCOc1ccc(Cl)cc1CNC1CC1 6702044 HOBNGAUKMUXTRX-UHFFFAOYSA-N 225.719 2.991 0 50 BFAA CC[C@H](Oc1ccc(Cl)cc1)C(=O)N(C)C 8041219 XEABCGZJIFRHOH-NSHDSACASA-N 241.718 2.586 0 50 BFAA OCc1nc(-c2ccc(F)cc2)n2ccccc12 12249758 IKYPXGMBPKHYLV-UHFFFAOYSA-N 242.253 2.633 0 50 BFAA CC(C)(C)OC(=O)Nc1ccc(F)cc1N 19415176 IBKSOWUYKOORFF-UHFFFAOYSA-N 226.251 2.755 0 50 BFAA in-vitro CCOc1ccccc1OC[C@@H]1CCCCN1 19513337 RBZBJIBEVIIVHX-LBPRGKRZSA-N 235.327 2.606 0 50 BFAA O=C(O)c1scnc1-c1ccccc1 20441992 NGTZFWMOTDGMKO-UHFFFAOYSA-N 205.238 2.508 0 50 BFAA in-vitro CCC(=O)N[C@H]1CCCc2cc(OC)ccc21 72117396 MSWGTTJITKZSEK-ZDUSSCGKSA-N 233.311 2.599 0 50 BFAA C[C@@]1(Cc2ccc(F)c(F)c2)CCCN1 148479976 HRJWUXSEYPZJFN-LBPRGKRZSA-N 211.255 2.649 0 50 BFAA CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC1=NCCC1)C2 169302075 YUSRZOLPOUXZON-MJVIPROJSA-N 220.360 2.983 0 50 BFAA C[C@@H]1C[C@H]2CCCC[C@H]2N1CCCCCO 239667335 BPPIIGKSPBJQIU-MGPQQGTHSA-N 225.376 2.802 0 50 BFAA CC(=O)c1ccc(Oc2cccc(N)c2)nc1 606302232 JAYDYZRSDDSVQI-UHFFFAOYSA-N 228.251 2.659 0 50 BFAA C=CC(=O)N[C@@H]1CCCc2c(F)cc(F)cc21 1262555964 PXYVZZYIZQKFSQ-GFCCVEGCSA-N 237.249 2.644 0 50 BFAA Cn1ccc2cc(C(=O)C3CCOCC3)ccc21 1772812434 IQPOBSKDAXYXND-UHFFFAOYSA-N 243.306 2.788 0 50 BFAA Fc1cn2cncc2cc1-c1cccnc1 1875290204 GCTIFOXAFROXOO-UHFFFAOYSA-N 213.215 2.535 0 50 BFAA CCn1ncc(-c2cccc(OC)c2OC)c1C 2356166505 AJRUBLGQZVTWSP-UHFFFAOYSA-N 246.310 2.896 0 50 BFAA C[C@@H]1CCCN(C(=O)CCc2ccccc2)C1 30483 OXWXZIOXNXGEQV-CYBMUJFWSA-N 231.339 2.878 0 50 BFAA O=C(c1cccs1)N1CCc2ccccc2C1 153894 LDPPWKSSXULXNJ-UHFFFAOYSA-N 243.331 2.947 0 50 BFAA O=C(Nc1ccc(Cl)cc1F)C1CC1 476904 BSOPYFCGDIYMRL-UHFFFAOYSA-N 213.639 2.828 0 50 BFAA Nc1nnc(-c2ccc(F)cc2Cl)s1 615742 HNZCWVJOCVACGT-UHFFFAOYSA-N 229.667 2.580 0 50 BFAA C[C@H]1CCCN(C(=O)c2ccc(Cl)nc2)C1 1463523 HRVYSCHTBOJEOY-VIFPVBQESA-N 238.718 2.607 0 50 BFAA C[C@@]1(C(=O)Nc2cccnc2)CC1(Cl)Cl 4757524 NNXSQUVAQRKHBN-VIFPVBQESA-N 245.109 2.604 0 50 BFAA O=C(O)C1(Oc2ccccc2)CCCCC1 9189696 DNANRJGFDPUDAM-UHFFFAOYSA-N 220.268 2.853 0 50 BFAA COc1cc2c(Cl)ccnc2cc1O 66331922 NKWZPFHSWLSOON-UHFFFAOYSA-N 209.632 2.602 0 50 BFAA CC(C)(C)N(C(=O)O)[C@@H](C=O)c1ccccc1 114041194 DEJJCLHPKHQNDX-NSHDSACASA-N 235.283 2.705 0 50 BFAA CCNc1ncc(C(F)(F)F)c(Cl)n1 148688401 DYSAONBCSVIMQV-UHFFFAOYSA-N 225.601 2.581 0 50 BFAA C[C@@H](NCc1ccc(C(=O)O)cc1)C(C)(C)C 159036560 MZFNSUBLEYTXHW-SNVBAGLBSA-N 235.327 2.909 0 50 BFAA CC(C)CCCSCc1nccc(N)n1 180125824 GMUAVUCQQMKBPW-UHFFFAOYSA-N 225.361 2.728 0 50 BFAA COc1cc(CC(=O)O)ccc1-c1ccccc1 205120013 QSORQSLEAOIDLH-UHFFFAOYSA-N 242.274 2.989 0 50 BFAA CC(=O)N1CCC[C@H]1C[C@@H]1C[C@H]2CC[C@H]1C2 245382404 IYUBLALZUNSGLM-XUXIUFHCSA-N 221.344 2.824 0 50 BFAA CC[S@](=N)(=O)c1ccc(Br)cc1 261509006 YZMQJOMQKHVCPJ-LBPRGKRZSA-N 248.145 2.875 0 50 BFAA CCn1nc(C)nc1-c1cn(C)c2ccccc12 670456133 OPZPDZJWYAVDOZ-UHFFFAOYSA-N 240.310 2.765 0 50 BFAA COc1cc([C@@H](C)N)cc2ccccc12 685944192 YMORCTCUKMFZCV-SECBINFHSA-N 201.269 2.868 0 50 BFAA CCC[C@@H](C(=O)Nc1cccnc1)n1cccc1 952962985 MWEGPVOWNRTWHC-ZDUSSCGKSA-N 243.310 2.863 0 50 BFAA Cc1nc(-c2ccncc2F)nc(C)c1C 2356163981 ZHTBRZNEZUBUSL-UHFFFAOYSA-N 217.247 2.603 0 50 BFAA Cc1[nH]c(C(=O)OC(C)(C)C)c(C)c1C 56661 JPUCLUDOOSRGFH-UHFFFAOYSA-N 209.289 2.895 0 50 BFAA in-vitro Cn1cc(CCCC(=O)O)c2ccccc21 259658 CELMVOPUIMXHCY-UHFFFAOYSA-N 217.268 2.586 0 50 BFAA CC(C)C[C@]1(C)OC[C@H](CN2CCCCC2)O1 312896 FCIRFJBRDJWJGX-UONOGXRCSA-N 241.375 2.650 0 50 BFAA COc1cccc2c1-c1ccccc1C2=O 382913 HJJLIJKROVLQPG-UHFFFAOYSA-N 210.232 2.907 0 50 BFAA O=C(Cc1ccccc1)OCc1ccccc1 394557 MIYFJEKZLFWKLZ-UHFFFAOYSA-N 226.275 2.973 0 50 BFAA endogenous,in-man CCc1ccc(OCCN2CCCC2)cc1 5477321 QQMPRMIZMPLBJA-UHFFFAOYSA-N 219.328 2.724 0 50 BFAA CCc1cccc(C)c1NC(=O)c1ccnn1C 6699104 MUFCDSCQKORZKQ-UHFFFAOYSA-N 243.310 2.543 0 50 BFAA Clc1ccc(CO[C@@H]2CCCNC2)cc1 42775994 LNVBQWAVNHQRNP-GFCCVEGCSA-N 225.719 2.609 0 50 BFAA CCc1ccccc1-c1ccnc(CO)c1 65387479 LCSRKXKVYRFDRA-UHFFFAOYSA-N 213.280 2.803 0 50 BFAA COC(=O)c1cc(F)cc(Br)c1C 89064168 SHONDVRWLQICAZ-UHFFFAOYSA-N 247.063 2.683 0 50 BFAA in-vitro CCC[C@]1(CO)CCCN(c2ccncc2C)C1 92036706 WSBVZLASLFQYGV-HNNXBMFYSA-N 248.370 2.769 0 50 BFAA NC[C@H](F)c1ccc(Cl)cc1Cl 116549492 YMHASCSYQOHBLS-QMMMGPOBSA-N 208.063 2.963 0 50 BFAA FC1(F)[C@H]2[C@H]3C[C@H]4[C@@H]5[C@@H]3[C@@H]1[C@@H]5C(F)(F)[C@H]42 245227223 GYFYKIHJGPVWNB-NDSFQDQCSA-N 218.193 2.645 0 50 BFAA O=C(Nc1ccncc1)Oc1ccc(F)cc1 263625386 ZKKQCOGFCAGAAJ-UHFFFAOYSA-N 232.214 2.832 0 50 BFAA CCc1nc(C)c(CNc2ccc(C)cn2)o1 382515125 TVCRJXVIUUGTTG-UHFFFAOYSA-N 231.299 2.861 0 50 BFAA O=C(O)[C@@]1(c2ccccc2)C[C@H]1C(F)(F)F 1772716126 RAVYEAGUSRNANS-PSASIEDQSA-N 230.185 2.591 0 50 BFAA C=CC(=O)NCC[C@H](c1ccccc1)C1CC1 1775997480 KQSUMYQQDQARMQ-CQSZACIVSA-N 229.323 2.873 0 50 BFAA O=C(Nc1cccnc1)C12CCCC1CCC2 1857527072 UMINTDYGDQRNOA-UHFFFAOYSA-N 230.311 2.991 0 50 BFAA O=C(Nc1ccccc1F)NC1CC2(CC2)C1 1875268599 OJLHJHRRNVBJMA-UHFFFAOYSA-N 234.274 2.890 0 50 BFAA C[C@H](Sc1nc2ccccc2s1)C(=O)O 209940 ZRMKAMAPVMHSFW-LURJTMIESA-N 239.321 2.862 0 50 BFAA CC(=O)NC(=S)Nc1cccc2ccccc12 611168 MWJMZBXJOYYWKI-UHFFFAOYSA-N 244.319 2.673 0 50 BFAA O=C(NC1CC1)c1ccc(Cl)c(F)c1F 2856267 XQIILAYJODQFEQ-UHFFFAOYSA-N 231.629 2.510 0 50 BFAA Cc1ccc2c(c1)NC(=O)[C@]2(Cl)C(F)(F)F 4615866 OGVXHZOIJMMJRD-VIFPVBQESA-N 249.619 2.944 0 50 BFAA CCCCN(C)Cc1ccc(OC)cc1 4680502 QWPCMMIRLHAZJE-UHFFFAOYSA-N 207.317 2.927 0 50 BFAA COC(=O)CCNc1ccc2ccccc2c1 4840054 IYJRJGVMXNFKHL-UHFFFAOYSA-N 229.279 2.815 0 50 BFAA c1ccc2nc(-n3nnc4ccccc43)ccc2c1 5332262 UOACPFPBTFMSKY-UHFFFAOYSA-N 246.273 2.969 0 50 BFAA Cc1ccc(C)c([C@H](C)NC(=O)[C@H]2CCCO2)c1 6731447 JPYRABQDGGGWPQ-GXTWGEPZSA-N 247.338 2.660 0 50 BFAA Cc1ccc(C(=O)O)cc1NC(=O)C(C)(C)C 12030662 XTJFPDDBFZQSKY-UHFFFAOYSA-N 235.283 2.678 0 50 BFAA Cc1cc(C(=O)O)c(F)cc1Br 26892879 PJJJBQHQICIYJH-UHFFFAOYSA-N 233.036 2.595 0 50 BFAA in-vitro COc1ccc2c(c1)CN1CCCC[C@@H]1C2 71773937 KYCHMUTWEADXKT-CYBMUJFWSA-N 217.312 2.606 0 50 BFAA OCc1cccc(-c2cnc3[nH]ccc3c2)c1 114719346 SXKCOFMVBVDURQ-UHFFFAOYSA-N 224.263 2.722 0 50 BFAA C[C@@H]1CCCN([C@H](C)c2nc(C3CC3)no2)C1 195660773 CGMAYWKBUIMRMM-NXEZZACHSA-N 235.331 2.740 0 50 BFAA O=C1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]12 225351202 HUVMTUHDOBCRJI-GJZGRUSLSA-N 243.350 2.878 0 50 BFAA in-vitro OC[C@@H]1CCC[C@@H]1N[C@H](c1ccccc1)C1CC1 230222712 NPMNSDBGGAEZJK-HRCADAONSA-N 245.366 2.888 0 50 BFAA Cc1cc(CN(C)[C@H]2CCC(C)(C)C2)on1 336007300 WEBSDJXBUNGRSI-NSHDSACASA-N 222.332 2.994 0 50 BFAA C[C@H](NCCCn1cc(Cl)cn1)C1CCC1 379102336 OWJZGUYNKXRSMV-JTQLQIEISA-N 241.766 2.705 0 50 BFAA c1cn(C[C@@H]2CCOC2)c(C2CCCC2)n1 1875247543 JJWLFSDKFIZVNA-NSHDSACASA-N 220.316 2.577 0 50 BFAA Cc1ccc(-c2nccn2CC2CC2)nc1 1875251558 VCQIOLRSLGBXRF-UHFFFAOYSA-N 213.284 2.664 0 50 BFAA Cn1cc(-c2cccc3sncc23)cn1 1875339858 AQIZRUOTVPLXRI-UHFFFAOYSA-N 215.281 2.697 0 50 BFAA COc1cc2c(cc1F)N(C(=O)C1CC1)CCC2 2325796864 YBJOXGCRKWPNEN-UHFFFAOYSA-N 249.285 2.524 0 50 BFAA CN(C(=O)Cc1cccs1)c1ccccc1 30601 HBVBFBOBLWMUFF-UHFFFAOYSA-N 231.320 2.954 0 50 BFAA CC(=O)Nc1nc2ccc(C)cc2s1 174852 FWBAMNNPZLPNPV-UHFFFAOYSA-N 206.270 2.563 0 50 BFAA CC(C)c1ccc(C(C)C)c(S(N)(=O)=O)c1 190540 QRCQQTSZLNSXOP-UHFFFAOYSA-N 241.356 2.581 0 50 BFAA c1c2c(c3c4c1CCCN4CCC3)OCCC2 273764 BVAZVYDSSDRZMO-UHFFFAOYSA-N 229.323 2.710 0 50 BFAA NCCCCCCCCCCCC(=O)O 1845814 PBLZLIFKVPJDCO-UHFFFAOYSA-N 215.337 2.931 0 50 BFAA biogenic,in-vitro CCCc1n[nH]c2c1C(=O)CC(C)(C)C2 3832785 XPVIHXUFUYYDQE-UHFFFAOYSA-N 206.289 2.517 0 50 BFAA CCNCc1ccc(Br)cc1 8227273 RVGAYUIZZCACIV-UHFFFAOYSA-N 214.106 2.559 0 50 BFAA O=C(O)c1cnoc1-c1ccc(Cl)cc1 8700108 QYWAKMRGJVKMRO-UHFFFAOYSA-N 223.615 2.693 0 50 BFAA in-vitro CCOc1ccc(CNC)cc1Br 10474703 CXWTZGVFVSIFCL-UHFFFAOYSA-N 244.132 2.567 0 50 BFAA CCc1ccc(CNC[C@@H]2CCCN2CC)cc1 22936339 FGKOMJYXNISQBH-INIZCTEOSA-N 246.398 2.823 0 50 BFAA c1ccc2c(c1)CC[C@@H](NCc1ccncc1)C2 23282806 ZVPNJNBOSBICMB-MRXNPFEDSA-N 238.334 2.729 0 50 BFAA COC(=O)/C=C/c1ccccc1Br 36439700 YIHZPTVKKKVMHT-VOTSOKGWSA-N 241.084 2.635 0 50 BFAA OCc1ccc(Cl)c(OC(F)(F)F)c1 39712944 AQFVCOVRKUVQTA-UHFFFAOYSA-N 226.581 2.731 0 50 BFAA in-vitro O=C(O)C1(c2ccc(OC(F)(F)F)cc2)CC1 41701511 WLYQHMMKMYCFAP-UHFFFAOYSA-N 246.184 2.701 0 50 BFAA O=C(O)c1cnc(O)c(-c2ccc(Cl)cc2)c1 65347572 ANDWTEUTDIJBOP-UHFFFAOYSA-N 249.653 2.806 0 50 BFAA in-vitro COc1ccc(-c2cc(N)ccn2)c(C)c1 65508440 NXJOEEQUZOZFPL-UHFFFAOYSA-N 214.268 2.648 0 50 BFAA CCCC(CCC)N[C@@H](C)c1n[nH]c(C)n1 67642300 DRDUMVDLUYLBMA-VIFPVBQESA-N 224.352 2.733 0 50 BFAA Nc1c(F)cccc1C(=O)OCc1ccccc1 124150322 YZBKLRPIFOJNRI-UHFFFAOYSA-N 245.253 2.765 0 50 BFAA C[Si](C)(C)c1cccc(-c2ccn[nH]2)c1 169910730 SSTRXXHMIXADCH-UHFFFAOYSA-N 216.360 2.622 0 50 BFAA Cc1cc2c[nH]nc2cc1[C@H]1CCNC[C@H]1C 757211055 JAHLFVMIPVPWFH-PWSUYJOCSA-N 229.327 2.584 0 50 BFAA C=CC(=O)Nc1ccc(C(F)(F)F)cc1O 1772718337 VNHWCTQTNDLGDZ-UHFFFAOYSA-N 231.173 2.536 0 50 BFAA CC(=O)Nc1ccc(-n2ccn(C)c2=S)cc1 1908708302 PHGXOLWGZVDOBW-UHFFFAOYSA-N 247.323 2.504 0 50 BFAA COC[C@@H](C)NC(=O)c1ccc(C(C)(C)C)cc1 31679 ANRVIHFQWAMHSD-LLVKDONJSA-N 249.354 2.749 0 50 BFAA CC(C)S(=O)(=O)c1ccc(Cl)cc1 86639 ZKVPUWNTECRZSQ-UHFFFAOYSA-N 218.705 2.522 0 50 BFAA O=C(c1ccncc1)c1ccc(Cl)cc1 155993 YMTFKKLFLLAFNI-UHFFFAOYSA-N 217.655 2.966 0 50 BFAA in-vitro Cc1onc2c1C(=O)C[C@H](c1ccccc1)C2 196789 NTRHZKGBEZEVMN-LLVKDONJSA-N 227.263 2.896 0 50 BFAA CC(=O)Nc1ccc(Br)cc1C 409863 IJZSFOIZVXCSFP-UHFFFAOYSA-N 228.089 2.716 0 50 BFAA in-vitro O=C(O)Cc1cc(Cl)ccc1Cl 1666562 GWTUGCOXTFFBMM-UHFFFAOYSA-N 205.040 2.621 0 50 BFAA in-vitro CC(C)(C)NCCOc1ccc(F)cc1 2930986 BINKIPCVKROMSW-UHFFFAOYSA-N 211.280 2.593 0 50 BFAA C[C@@H](NC(=O)c1ccccc1)C(C)(C)C 12381117 QRGINSCDKUDLSV-SNVBAGLBSA-N 205.301 2.851 0 50 BFAA COc1cc(N)c(Br)cc1Cl 34363586 DAFZNHUYTYCENX-UHFFFAOYSA-N 236.496 2.693 0 50 BFAA COC(=O)CCCCCCC(=O)OC(C)(C)C 34584298 AVMXBOOJSVOCFZ-UHFFFAOYSA-N 244.331 2.842 0 50 BFAA C=CCOC(=O)OC1=CC(=O)[C@H](C)CCC1 43198608 AMQMIGYDWJAPTE-SECBINFHSA-N 224.256 2.599 0 50 BFAA COc1ccc(Cl)cc1-c1cnccc1N 65409962 JRMSKFFXFRYXOM-UHFFFAOYSA-N 234.686 2.993 0 50 BFAA CC1(C)CO[C@H](c2ccccc2Cl)NC1=O 71779192 XZSJAVPWRQZGGZ-SNVBAGLBSA-N 239.702 2.511 0 50 BFAA CCN(CC)c1ncc(Cl)cc1F 86711486 GQCRFFNWAYRDFO-UHFFFAOYSA-N 202.660 2.720 0 50 BFAA CCC[C@@H](C)N(C)CCNC(=O)OC(C)(C)C 170664226 YTRSZADCCOGAON-LLVKDONJSA-N 244.379 2.632 0 50 BFAA COc1cccc(CF)c1Br 215653592 CYLHMMVQELNQFN-UHFFFAOYSA-N 219.053 2.927 0 50 BFAA O=C1CCN(Cc2ccccc2)[C@@H]2CCC[C@@H]12 215751817 DNNHYPIBLFCZEZ-ZIAGYGMSSA-N 229.323 2.630 0 50 BFAA in-vitro CC1(F)CC(C(=O)OCc2ccccc2)C1 224259830 ZMSABYXKKSYNSC-UHFFFAOYSA-N 222.259 2.868 0 50 BFAA C[C@@H](N[C@@H]1/C=C/CCCCC1)c1cnn(C)c1 242273788 YFXXUAKCYHIXEP-TZMCWYRMSA-N 233.359 2.960 0 50 BFAA Cc1cc(OCc2cc(C)on2)c(C)c(C)n1 408525316 WBCORFFZVQVQIW-UHFFFAOYSA-N 232.283 2.882 0 50 BFAA Fc1cccc(CN2CC[C@@H](c3ncc[nH]3)C2)c1 585115987 COVPFYBIVDWXOK-GFCCVEGCSA-N 245.301 2.538 0 50 BFAA O=C(c1ccc2[nH]ccc2c1)C1CCOCC1 1772807407 VAEJCNLEPZWDBS-UHFFFAOYSA-N 229.279 2.777 0 50 BFAA C[C@@H](O)CC(C)(C)CN[C@H](C)c1ccsn1 1775989799 BAYASTNCOAIEQC-NXEZZACHSA-N 242.388 2.591 0 50 BFAA CSc1ncccc1C(=O)N[C@H]1C=CCCC1 1857686194 LLARILYOZLJXLQ-JTQLQIEISA-N 248.351 2.642 0 50 BFAA Cc1nnc2n1CC[C@H](c1ccccc1)CC2 2100537246 KICKOADKJAWCCS-CYBMUJFWSA-N 227.311 2.707 0 50 BFAA CN(C)CC(C)(C)CN[C@@H]1[C@@H](F)CCC1(C)C 2325773687 OBEAFEXZDMZPJR-NWDGAFQWSA-N 244.398 2.691 0 50 BFAA CC(=O)Cn1cc(-c2ccc(F)cc2C)cn1 2325843307 AUWMSMIVOXZXLJ-UHFFFAOYSA-N 232.258 2.587 0 50 BFAA C[C@H](O)c1cccc(NC(=O)NC(C)(C)C)c1 398728 GVXMYJFXAWNTIL-VIFPVBQESA-N 236.315 2.660 0 50 BFAA Cc1ccc(NC(=O)c2ccccc2)cc1N 857446 ZKMYHZKZDMIROQ-UHFFFAOYSA-N 226.279 2.830 0 50 BFAA in-vitro Cc1ccc2c(CCN)c(C)[nH]c2c1C 1235007 XCBBWJULNNHATE-UHFFFAOYSA-N 202.301 2.594 0 50 BFAA in-vitro CCCCNC(=O)/C=C/c1cccs1 2086458 FWQLZCXKTDCPQU-VOTSOKGWSA-N 209.314 2.678 0 50 BFAA OCc1ccc(C(F)(F)F)cc1Cl 2540213 GMZPPTCATYZORA-UHFFFAOYSA-N 210.582 2.851 0 50 BFAA in-vitro O=C(Nc1ccc(F)c(Cl)c1)C1CC1 2750619 MQROLXOLPCRLRH-UHFFFAOYSA-N 213.639 2.828 0 50 BFAA Cc1ccn2c(N)c(-c3ccccc3)nc2c1 3888316 FBFCRKNRKASWEW-UHFFFAOYSA-N 223.279 2.892 0 50 BFAA in-vitro C[C@@H]([C@@H](O)C12CC3CC(CC(C3)C1)C2)N(C)C 3897329 GFPDBAUVWCFADK-DYLWUZOPSA-N 237.387 2.514 0 50 BFAA Cc1ccc(C[C@]2(O)C[C@@H](C)N(C)C[C@@H]2C)cc1 4016382 PPFGJYUAWQBXHF-SQWLQELKSA-N 247.382 2.629 0 50 BFAA NCCOc1ccc(-c2ccccc2)cc1 4227458 BSDBRFAGCUJYJG-UHFFFAOYSA-N 213.280 2.691 0 50 BFAA in-vitro Cc1ccc(-c2nc3cc(N)ccc3n2C)o1 4543040 ZJGUHSOEWQNPHF-UHFFFAOYSA-N 227.267 2.724 0 50 BFAA Cc1cc(C(=O)O)ccc1NCc1ccncc1 4935109 KOWIGDXCNHPVSN-UHFFFAOYSA-N 242.278 2.700 0 50 BFAA Cc1ccc(COCCCCO)c(C)c1 16284741 UXXZFOORBVIFTF-UHFFFAOYSA-N 208.301 2.593 0 50 BFAA Cc1cc(N)c2cc(C(=O)OC(C)C)ccc2n1 26462987 XJBXMQJETOGQHQ-UHFFFAOYSA-N 244.294 2.691 0 50 BFAA CC(C)(C)OC(=O)Nc1ccc(F)c(N)c1F 34570905 YLESTKCQLPTXBC-UHFFFAOYSA-N 244.241 2.894 0 50 BFAA Nc1ccc(-c2ccc([C@H]3CCCN3)cc2)nc1 96161081 RHTLOFJVMNCUKC-CQSZACIVSA-N 239.322 2.755 0 50 BFAA O=C(C1=NO[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12)c1ccccc1 169615681 CEAYTPVKXPIMKF-JUFZMCDQSA-N 241.290 2.670 0 50 BFAA Cc1c(Br)ccc2sc(N)nc12 229213585 IVXQBGMLYMGHFZ-UHFFFAOYSA-N 243.129 2.949 0 50 BFAA CCC(=O)N1CCC[C@@H](CC(F)(F)F)C1 335489307 VATXIZPNUABMSD-QMMMGPOBSA-N 223.238 2.587 0 50 BFAA CCOc1ccc(CN=c2[nH]c(C)c(C)o2)cc1 585118336 KTMLBRRSVRQTSI-UHFFFAOYSA-N 246.310 2.724 0 50 BFAA Cc1cccc(CCN2C[C@H]3CC[C@H](C3)C2)n1 670440175 YEFYIZBCIYPESZ-OKILXGFUSA-N 230.355 2.664 0 50 BFAA Cc1c(-c2cccnc2N)ccc2n[nH]cc12 1241475193 VPKFAYRSLVEHSN-UHFFFAOYSA-N 224.267 2.516 0 50 BFAA CN1CCC(c2c[nH]c3ccc(O)cc23)CC1 7339 WKNFADCGOAHBPG-UHFFFAOYSA-N 230.311 2.683 0 50 BFAA biogenic,in-vitro CCC[C@@H](C)C(=O)Nc1cc(C)ccn1 30568 JFEFOZMFWWXJFG-SNVBAGLBSA-N 206.289 2.765 0 50 BFAA Cc1cc(C(=O)O)c(C)n1Cc1ccccc1 529411 YBCBUHIBNNSACV-UHFFFAOYSA-N 229.279 2.851 0 50 BFAA in-vitro O[C@]12CCCC[C@@H]1[C@@H](c1ccccc1)NCC2 4137222 NRCWMRBKHVZROJ-KFWWJZLASA-N 231.339 2.642 0 50 BFAA biogenic Fc1ccc(-n2ncc3c(Cl)ncnc32)cc1 4205377 GBKPQRDTVISISD-UHFFFAOYSA-N 248.648 2.608 0 50 BFAA CC(=O)Nc1ccc(CN2CCC[C@H](C)C2)cc1 4987760 KVWWNHRBOPRSRT-LBPRGKRZSA-N 246.354 2.877 0 50 BFAA CC[C@H](C)NC(=O)N[C@@H](C)c1ccc(F)cc1 13746403 QXEBSCYDVKOQAI-UWVGGRQHSA-N 238.306 2.984 0 50 BFAA Cc1cc(-c2cccc3ncccc23)nc(N)n1 20294076 KTWVKMKFUBLZSP-UHFFFAOYSA-N 236.278 2.582 0 50 BFAA c1cncc([C@@H]2CCCCN2Cc2cc[nH]n2)c1 20586912 IBYKIICKDNOHCW-AWEZNQCLSA-N 242.326 2.532 0 50 BFAA NC(=S)c1ccc(-c2ccccc2)cc1 21968994 HYDDAJTWPBWUOB-UHFFFAOYSA-N 213.305 2.988 0 50 BFAA in-vitro CC(C)(CN)c1cccc(Br)c1 33487052 VBCFOJLKHKXQJJ-UHFFFAOYSA-N 228.133 2.685 0 50 BFAA in-vitro CCCC(=O)N(c1ccccc1)C1CCNCC1 39151565 GOXLPDTZAWMNTG-UHFFFAOYSA-N 246.354 2.572 0 50 BFAA in-vitro CO[C@H](C(=O)O)c1ccc2ccccc2c1 43763874 OQVFHDWREDKUCW-LBPRGKRZSA-N 216.236 2.612 0 50 BFAA Cc1ccc(-c2cnc(N)cn2)c2cccnc12 65370570 XTIHWFCLRIEIKU-UHFFFAOYSA-N 236.278 2.582 0 50 BFAA Cc1cc(OC[C@@H](N)C2CC2)ccc1Cl 68905214 MFPYTDMEGJEETL-GFCCVEGCSA-N 225.719 2.765 0 50 BFAA in-vitro CCCCOc1ccc(N2CCCC2=O)cc1 78382681 VLCXMDKQYFJWRU-UHFFFAOYSA-N 233.311 2.992 0 50 BFAA Cc1nc2ccc(Cl)nc2n1C(C)C 96311453 QEUZYUFHFPLSQO-UHFFFAOYSA-N 209.680 2.974 0 50 BFAA Cc1ccc(C(=O)CC(=O)C(F)(F)F)cc1 100003183 WRZMHTIRFOFFPY-UHFFFAOYSA-N 230.185 2.699 0 50 BFAA in-vitro CC[C@H](C(=O)O)N(CC)Cc1ccccc1C 191403632 ULCWGVAOIRDKFA-CYBMUJFWSA-N 235.327 2.680 0 50 BFAA c1ccc(-c2nccs2)c(OC[C@H]2CO2)c1 206733469 SADUTKPALZNVIL-SECBINFHSA-N 233.292 2.588 0 50 BFAA CCC1(NC(=O)N[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)CCC1 247421094 KGYPLMRPPCUHBW-JZRPKSSGSA-N 248.370 2.663 0 50 BFAA CCC1(CNC(=O)[C@@]2(C)CCCCO2)CCC1 457622125 DQOAHQLIMGXALP-CYBMUJFWSA-N 239.359 2.642 0 50 BFAA FCC[C@H]1CCCN(c2ncnc3[nH]ccc23)C1 664412451 DLXMPBZKGNFXHA-SNVBAGLBSA-N 248.305 2.534 0 50 BFAA C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C2CC2)C1 685939490 QCLFIMYJAVLOSV-JHEVNIALSA-N 221.344 2.727 0 50 BFAA Cc1nc(Cl)cc(SC2CC2)n1 757164992 VFVHPWLMTIMEJP-UHFFFAOYSA-N 200.694 2.693 0 50 BFAA C=CC(=O)N1CCC[C@@H](c2ccccc2)CC1 791348934 LIKRVWQWLWELPF-CQSZACIVSA-N 229.323 2.969 0 50 BFAA Oc1cccc(Cn2ccnc2-c2ccco2)c1 1875244726 RCEOYAHXNZCARZ-UHFFFAOYSA-N 240.262 2.897 0 50 BFAA C=CC(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1 2069640647 INVVNZVNAQIJNG-UHFFFAOYSA-N 247.294 2.766 0 50 BFAA COc1cc(F)ccc1-c1nncc(C)c1C 2100540525 KSFPOKGKDAMLPB-UHFFFAOYSA-N 232.258 2.908 0 50 BFAA Cc1cc(=N)[nH]cc1-c1ccc(Cl)cn1 2356148098 GZJXUFBOKGINHG-UHFFFAOYSA-N 219.675 2.518 0 50 BFAA c1ccc(N2CCN(Cc3ccco3)CC2)cc1 239231 NIVLFNHXBUFRQE-UHFFFAOYSA-N 242.322 2.602 0 50 BFAA O[C@H](C1CCCCC1)[C@H](O)C1CCCCC1 388520 CKHLARJSOMXDKL-ZIAGYGMSSA-N 226.360 2.869 0 50 BFAA CC[C@H](C)NC(=O)c1ccc(Br)o1 1284934 RIOMRMODIBYHOI-LURJTMIESA-N 246.104 2.570 0 50 BFAA Nc1ccc(-c2ccc(C3OCCO3)cc2)cc1 2574127 IQLAMMATTUERMH-UHFFFAOYSA-N 241.290 2.981 0 50 BFAA O=C(NCCOc1ccccc1)C1CCCCC1 3002774 HMHKCGHCAYDCII-UHFFFAOYSA-N 247.338 2.762 0 50 BFAA CCOc1ccc(CCCC(=O)O)cc1C 4943452 RTUPESKXAWIZEA-UHFFFAOYSA-N 222.284 2.801 0 50 BFAA in-vitro CCOC(=O)N[C@@H](C)c1ccc(OC)cc1 6698656 KKLPTNTZNWNSPF-VIFPVBQESA-N 223.272 2.502 0 50 BFAA COc1ccc2cc([C@@H](C)N)ccc2c1 12383744 VUFKZXAYBCKZFL-SECBINFHSA-N 201.269 2.868 0 50 BFAA in-vitro CCCCn1c([C@@H](C)O)nc2ccccc21 13154516 RBPXNOGQNHZOLH-SNVBAGLBSA-N 218.300 2.890 0 50 BFAA O=C(O)c1cccnc1-c1ccc(F)cc1 34102215 ACGWDCZWNMSHNE-UHFFFAOYSA-N 217.199 2.586 0 50 BFAA in-vitro Fc1ccccc1CC[C@H]1CCCNC1 41216214 GKHQHDZRXPDHBI-LLVKDONJSA-N 207.292 2.758 0 50 BFAA N[C@H]1CCc2cc(Cl)c(Cl)cc21 59911766 XWCCMCNCBDSVFJ-VIFPVBQESA-N 202.084 2.939 0 50 BFAA Cc1ccccc1CN(CCO)Cc1ccco1 65394575 XVINFYMFJLDLRB-UHFFFAOYSA-N 245.322 2.583 0 50 BFAA COc1cc(N)c(Cl)c(Br)c1 67799990 ATWFKIVOVAGKAH-UHFFFAOYSA-N 236.496 2.693 0 50 BFAA COc1ccccc1C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2 101474293 VNLRAFUIJPCGHP-GMXVVIOVSA-N 245.322 2.614 0 50 BFAA CCOc1cc(CO)c(Br)cc1C 114356224 QTUOCAFRQIHIPS-UHFFFAOYSA-N 245.116 2.649 0 50 BFAA Nc1ccc2ncc(-c3ccccc3)nc2c1 116495183 BTTJRYBJJULOGN-UHFFFAOYSA-N 221.263 2.879 0 50 BFAA Cc1cc(C(=O)N2C[C@@H](C)CCC[C@@H]2C)no1 133890624 YUDWABOTLWPLJX-UWVGGRQHSA-N 236.315 2.634 0 50 BFAA COCOc1ccc(F)c(Br)c1 137052409 SCDAOWGZTMCJLN-UHFFFAOYSA-N 235.052 2.571 0 50 BFAA Cc1ccncc1CNc1ccc(F)cn1 167307826 NMFSZINEYZSBGY-UHFFFAOYSA-N 217.247 2.536 0 50 BFAA Cc1cccc([C@@H]2CCCN2CC(=O)O)c1C 237726657 AMGPSJPGXNFLRA-ZDUSSCGKSA-N 233.311 2.525 0 50 BFAA C[C@@H](CCNC[C@H]1CCCC[C@H]1C)[S@@](C)=O 253369291 AQZKKLMLDCRYCP-OQMKEHIESA-N 245.432 2.559 0 50 BFAA COc1cc(F)cc(-c2cscn2)c1 669380828 QPNPVHUAMZMHAI-UHFFFAOYSA-N 209.245 2.958 0 50 BFAA C[C@@H](NCc1noc2c1CCCC2)[C@@H]1CC12CC2 888095954 GCRYPHDULVCZKE-PWSUYJOCSA-N 246.354 2.832 0 50 BFAA Cc1ccc(-c2ccc(N(C)C)nn2)cc1F 1239817565 HLEOHRFPQXQVMX-UHFFFAOYSA-N 231.274 2.657 0 50 BFAA Fc1ccc2cc(-c3cncnc3)cnc2c1 1240374607 WDBGHQUEUMMKRL-UHFFFAOYSA-N 225.226 2.831 0 50 BFAA C=CC(=O)Nc1ccc(-c2cnc(C)o2)cc1 1335860911 XPTMJJWIPULOSR-UHFFFAOYSA-N 228.251 2.775 0 50 BFAA O[C@@H](c1ccc2c(c1)OCO2)c1cccs1 54633 LDFIRGAVJFQERU-LBPRGKRZSA-N 234.276 2.559 0 50 BFAA CC(C)c1nc2ccccc2n1CCC(=O)O 65286 BFFRQVUJZBVVHX-UHFFFAOYSA-N 232.283 2.634 0 50 BFAA Cc1cc(C)cc(NC(=O)NC(C)C)c1 397160 CISRMVBYLJIVTC-UHFFFAOYSA-N 206.289 2.833 0 50 BFAA OC[C@@H]1CCCN(C2CCCCCCC2)C1 757810 HBLUPFRJLFZUQP-CYBMUJFWSA-N 225.376 2.804 0 50 BFAA CCCC(=O)Nc1ccc2c(c1)ncn2CC 4754994 UFFYXGRFLUCMKD-UHFFFAOYSA-N 231.299 2.795 0 50 BFAA CC[C@@H](Cc1ccccc1)NC(=O)C1CC1 4827716 DLVJHAKSMWJQLV-ZDUSSCGKSA-N 217.312 2.534 0 50 BFAA CCCCOc1ccccc1CNCC 4838224 WFWYPUXSWBRUSR-UHFFFAOYSA-N 207.317 2.975 0 50 BFAA Cc1cc(Br)cc(Cl)c1N 5227618 DIXGIKZIIZRFKE-UHFFFAOYSA-N 220.497 2.993 0 50 BFAA in-vitro CCC(=O)N[C@@H](CC)c1ccc(C)cc1 6698447 AVCINTRUNIKJCU-LBPRGKRZSA-N 205.301 2.972 0 50 BFAA CCCNC(=O)[C@H](C)Oc1ccccc1Cl 13709894 HJYWVOBXHYRJGC-VIFPVBQESA-N 241.718 2.634 0 50 BFAA NCCCOc1cccc2ccccc12 13776461 XZFFMGFSKCIBAO-UHFFFAOYSA-N 201.269 2.567 0 50 BFAA Sc1nnc(-c2ccncc2)n1C1CCCC1 17744232 WKYMKHAAKPHMAD-UHFFFAOYSA-N 246.339 2.744 0 50 BFAA C[C@H]1CCCCN1CCN1CCCC[C@H]1C 23292238 HFJJHXUCQWRVQD-OKILXGFUSA-N 224.392 2.735 0 50 BFAA CCOC(=O)c1cccc(C)c1Br 28278517 JLUNFGZPWZBSLB-UHFFFAOYSA-N 243.100 2.934 0 50 BFAA CCc1ccc(OC)c(-c2csc(N)n2)c1 37868492 DEYAQVTUHVQVMG-UHFFFAOYSA-N 234.324 2.963 0 50 BFAA in-vitro Clc1cc2nccn2cc1Br 38534261 KSAJQCCWMBQXFB-UHFFFAOYSA-N 231.480 2.750 0 50 BFAA in-vitro Nc1ccc(Br)c2ccncc12 39119718 BTFXYVXBWMRHIB-UHFFFAOYSA-N 223.073 2.580 0 50 BFAA in-vitro CCNCc1cc(-c2cc(C)cc(C)c2)n[nH]1 133542661 XZQZBGGUIXPVQD-UHFFFAOYSA-N 229.327 2.803 0 50 BFAA CO[C@]1(C)CCCN(Cc2ccsc2)C1 280687021 VJTQNCUXJPZLPN-GFCCVEGCSA-N 225.357 2.749 0 50 BFAA C[C@H](N[C@@H]1CCCC1(F)F)c1ccnc(O)c1 926430409 WIGYTHYNYCCPTH-WCBMZHEXSA-N 242.269 2.626 0 50 BFAA C=CC(=O)Nc1cc(F)cc(OC(F)F)c1 1335867599 UYMSAQVMOSDRKE-UHFFFAOYSA-N 231.173 2.552 0 50 BFAA Cc1coc(S[C@@H](C)C[C@H]2CCOC2)n1 1775992481 SUOMPROHRSAVBM-VHSXEESVSA-N 227.329 2.890 0 50 BFAA Oc1nc2cccc(-c3ncccc3Cl)c2[nH]1 1857738531 MGISOTRTIIPZNL-UHFFFAOYSA-N 245.669 2.984 0 50 BFAA CC[n+]1ccn(C23CC4CC(CC(C4)C2)C3)c1 1857799034 KUJIPMSUJBYBIL-UHFFFAOYSA-N 231.363 2.721 0 50 BFAA CC(C)[C@H]1CCC[C@](C(=O)O)(n2ccnc2)C1 1875271526 KPFXAOFNIQCVKL-AAEUAGOBSA-N 236.315 2.509 0 50 BFAA CCOC(=O)c1c(C)n(CC)c2ccc(O)cc12 54901 FXMYTLXTYCIQED-UHFFFAOYSA-N 247.294 2.852 0 50 BFAA CC[C@@H]1NCCc2c1[nH]c1ccccc21 83156 FJPPZKPWCBEAMQ-NSHDSACASA-N 200.285 2.765 0 50 BFAA O=c1cc(-c2cccs2)sc(=S)[nH]1 227626 YJTFIMIGVVQHES-UHFFFAOYSA-N 227.335 2.894 0 50 BFAA CCC(C)(C)NC(=O)c1ccccc1C 620801 QRJDAHUXEKGJIQ-UHFFFAOYSA-N 205.301 2.913 0 50 BFAA CCCCCC[C@@](N)(CC)C(=O)OCC 2547632 BWFGKSUCLYNHHE-LBPRGKRZSA-N 215.337 2.627 0 50 BFAA in-vitro CCCCN(C)CCC(=O)Nc1ccccc1 2764989 QHJVSTXAJPTFLX-UHFFFAOYSA-N 234.343 2.747 0 50 BFAA Cc1ccc(Cl)cc1-n1c(C)nnc1S 6401150 PYCYGHVZMXKLGY-UHFFFAOYSA-N 239.731 2.826 0 50 BFAA O=c1oc2ccccc2n1Cc1ccccc1F 6760210 GUSDZLBOEPABSI-UHFFFAOYSA-N 243.237 2.782 0 50 BFAA CCOc1cc2ccccc2cc1C(=O)O 8428174 RZBCENNFWITWFC-UHFFFAOYSA-N 216.236 2.937 0 50 BFAA in-vitro NC[C@@H](c1c(F)cccc1Cl)N1CCCC1 19702475 ZWIIAFWOVYXJTG-NSHDSACASA-N 242.725 2.575 0 50 BFAA Cc1ccc(C)c(OCCCCC(=O)O)c1 20474266 GDELSTPAOVZJKB-UHFFFAOYSA-N 222.284 2.937 0 50 BFAA in-vitro CC[C@H](C)S(=O)(=O)Nc1ccc(C)cc1 24614049 YXBWALPMRXLKAM-JTQLQIEISA-N 227.329 2.535 0 50 BFAA COC(=O)[C@H](c1ccccc1)N1CCCCCC1 61852319 GMVWLPCRWKVKHO-AWEZNQCLSA-N 247.338 2.777 0 50 BFAA CNc1nc(-c2cccc(C)c2C)ncc1F 65397632 KHBIAYRAPZNMGD-UHFFFAOYSA-N 231.274 2.941 0 50 BFAA CCOc1cc(Br)cc(C=O)c1 90413718 NBXZKUIPSKDAEV-UHFFFAOYSA-N 229.073 2.660 0 50 BFAA in-vitro CCOc1cc(Br)cnc1Cl 91366367 LGMDMSGQELXZEL-UHFFFAOYSA-N 236.496 2.896 0 50 BFAA in-vitro CN(C[C@H]1CO1)c1cccc2ccccc12 141540205 JEHHSIVTFHUPAN-LBPRGKRZSA-N 213.280 2.675 0 50 BFAA Clc1cn2nccc2cc1Br 238555066 PSBSWQYPVBIHAK-UHFFFAOYSA-N 231.480 2.750 0 50 BFAA CC1(C)CCCC[C@H]1N[C@H]1C[C@H]2CC[C@H]1O2 251220554 ZMWLHAXKCXJGDR-YVECIDJPSA-N 223.360 2.865 0 50 BFAA O=C([C@@H]1[C@H]2CCCC[C@H]21)N1CCC(F)(F)CC1 252537312 KXYSIZNLCWFLBM-URLYPYJESA-N 243.297 2.680 0 50 BFAA CC(C)(C)[C@@H]1CCC[C@H]1NCc1cc[nH]n1 414536121 MPCYOKRSVIYQNK-VXGBXAGGSA-N 221.348 2.714 0 50 BFAA C=CC(=O)N1CC[C@@H](c2ccccc2)[C@H]1C 1120460955 UJSMRYWKYLFTET-DGCLKSJQSA-N 215.296 2.577 0 50 BFAA Fc1cccc2ncc(-c3cc[nH]n3)cc12 1245311095 OICMQFQOSMGOKM-UHFFFAOYSA-N 213.215 2.764 0 50 BFAA CCCc1cnc(C)nc1NCC1CCC1 1704337639 BZDYFWBZGDXFDD-UHFFFAOYSA-N 219.332 2.950 0 50 BFAA O=C(O)[C@]1(C(F)(F)F)C[C@H]2C=C[C@H]1CC2 1857783872 FNQPMZGSTBCJKX-ZKWXMUAHSA-N 220.190 2.606 0 50 BFAA CC[C@@H](C(=O)N1CCCC1)c1ccccc1 30580 OICBYWFQUKULES-CYBMUJFWSA-N 217.312 2.803 0 50 BFAA Oc1cccc(N2Cc3ccccc3C2)c1 56346 NDJBHFYAKXHUEI-UHFFFAOYSA-N 211.264 2.912 0 50 BFAA O=C(Nc1ccccc1O)c1ccccc1 64939 UYKVWAQEMQDRGG-UHFFFAOYSA-N 213.236 2.645 0 50 BFAA biogenic C[C@@H](c1ccccc1)N1C(=O)OC(C)(C)[C@@]1(C)O 90609 VYPJIHOZAOLARI-IINYFYTJSA-N 249.310 2.687 0 50 BFAA CC(C)(CO)NCc1ccccc1C(F)(F)F 360281 PFMKMSRITYBBLJ-UHFFFAOYSA-N 247.260 2.566 0 50 BFAA CCc1cccc(CC)c1NC(=O)OC 397309 SAXDMAADCDBZRV-UHFFFAOYSA-N 207.273 2.990 0 50 BFAA CC(C)(C)C(=O)N1C(=O)OC[C@H]1c1ccccc1 407530 RCYGSFKQQKHMBE-NSHDSACASA-N 247.294 2.753 0 50 BFAA biogenic CCCCCOC(=O)c1ccc(O)cc1 1568931 ZNSSPLQZSUWFJT-UHFFFAOYSA-N 208.257 2.739 0 50 BFAA in-vitro Cc1cc(C)[n+](Cc2ccccc2)c(C)c1 1685120 DYZFULXXOSMHBD-UHFFFAOYSA-N 212.316 2.948 0 50 BFAA O=Cc1ccc(-c2ccc(F)cc2)nc1 2527560 WESBCTRYJPEULH-UHFFFAOYSA-N 201.200 2.700 0 50 BFAA O=C(O)/C=C/c1ccc(C(F)(F)F)c(F)c1 2560189 LUEWWWLVURRLNN-DUXPYHPUSA-N 234.148 2.942 0 50 BFAA OCC(Cl)(Cl)C(Cl)(Cl)Cl 3070144 CKHVXOZLUZGGHA-UHFFFAOYSA-N 232.321 2.523 0 50 BFAA O=C(O)[C@H](O)c1cccc(Oc2ccccc2)c1 4269713 FPUCYPXKIFVDSD-CYBMUJFWSA-N 244.246 2.597 0 50 BFAA O=C(CCC(=O)c1ccco1)c1ccco1 6472822 YFFKNPBNZUAMNU-UHFFFAOYSA-N 218.208 2.718 0 50 BFAA Cn1cc(-c2csc(N)n2)c2ccccc21 13005271 QCOLYHPQNUTSDV-UHFFFAOYSA-N 229.308 2.884 0 50 BFAA C[C@H]1CCCCN1c1ccc(N)cc1F 20135738 RBKAJYHQGRRHKQ-VIFPVBQESA-N 208.280 2.787 0 50 BFAA O=C(O)[C@H](OC1CCCC1)c1ccccc1 35222169 MAMLQTTUXSMYPX-GFCCVEGCSA-N 220.268 2.772 0 50 BFAA in-vitro Cc1ccc2[nH]ncc2c1Br 36533418 YBLXBXPJJAZHDS-UHFFFAOYSA-N 211.062 2.634 0 50 BFAA in-vitro Cc1cc(Br)c(C(=O)O)cc1F 39953644 WFPYJWBPQCXYCJ-UHFFFAOYSA-N 233.036 2.595 0 50 BFAA in-vitro Cc1noc(NC(=O)Oc2ccccc2)c1C 40449951 ZLQFRMUGCHAKPH-UHFFFAOYSA-N 232.239 2.902 0 50 BFAA Cc1nc(C(=O)O)c(-c2ccccc2F)s1 41278105 ODCOWPJBSKLCIC-UHFFFAOYSA-N 237.255 2.956 0 50 BFAA in-vitro CCOC(=O)CCC(=O)c1ccc(C)cc1C 43369213 UFNYKKWWDZBODD-UHFFFAOYSA-N 234.295 2.829 0 50 BFAA Brc1cnc(N2CCCC2)s1 44116974 ZKEGFBGVGXMOKL-UHFFFAOYSA-N 233.134 2.506 0 50 BFAA in-vitro Cc1cnccc1-n1cnc2ccccc21 65405503 WADZPLDKCJTEAP-UHFFFAOYSA-N 209.252 2.729 0 50 BFAA COc1ccc2c(c1)CCC[C@@H]2NC(=O)C(C)C 72442083 BEWCVWAZFVTUKD-AWEZNQCLSA-N 247.338 2.845 0 50 BFAA COC(=O)c1cccc(-c2cncc(OC)c2)c1 85210081 CQXFMTADGDSFSW-UHFFFAOYSA-N 243.262 2.544 0 50 BFAA in-vitro CC(C)c1cc(NCC[C@@H]2CCCCO2)ncn1 95375469 ZUVQTRBPWRPVNV-LBPRGKRZSA-N 249.358 2.971 0 50 BFAA O=C(c1ccc2cccnc2c1)C1CCOCC1 123520622 AUKHWHOABOBFMN-UHFFFAOYSA-N 241.290 2.844 0 50 BFAA C[C@@H]1CCCC[C@@H]1CNCC[C@@H](C)[S@](C)=O 134860248 AQZKKLMLDCRYCP-BRXULGCHSA-N 245.432 2.559 0 50 BFAA Cc1cc2n[nH]cc2cc1-c1ccc(N)nc1 1242282998 HLDMVFHNUDFIQF-UHFFFAOYSA-N 224.267 2.516 0 50 BFAA C[C@H]1CCc2c(O)nc([C@@H]3CC3(C)C)nc21 1776004478 SEZRMWJYLLEKTG-CBAPKCEASA-N 218.300 2.745 0 50 BFAA c1csc(C[C@@H]2CCCN2Cc2cc[nH]n2)c1 1875281713 RIDQRHJRULCIKI-LBPRGKRZSA-N 247.367 2.678 0 50 BFAA CN(C)c1cc2c(cc1N)-c1ccccc1C2 393542 CTOSRWHCZAOILV-UHFFFAOYSA-N 224.307 2.906 0 50 BFAA O=C(O)CCCCCCCCCC(=O)O 1593115 LWBHHRRTOZQPDM-UHFFFAOYSA-N 216.277 2.667 0 50 BFAA endogenous,in-man CCCCCS(=O)(=O)CCCCC 1690090 NLUGCAKOZAODBF-UHFFFAOYSA-N 206.351 2.782 0 50 BFAA COc1ccc(-c2nc(C=O)cs2)cc1 4219149 YZUAAQCBGVFCRK-UHFFFAOYSA-N 219.265 2.631 0 50 BFAA in-vitro CCNC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 4841752 XOCZVPBOIPGMHD-SECBINFHSA-N 241.718 2.552 0 50 BFAA CCN(CCN(C)C)Cc1ccc(Cl)cc1 19633376 OZPSGLFTFBARJU-UHFFFAOYSA-N 240.778 2.724 0 50 BFAA C[C@@H]1CN(CCCOc2ccccc2)C[C@@H](C)O1 20166838 RLDOIAYHNMTTBF-ZIAGYGMSSA-N 249.354 2.565 0 50 BFAA COc1ccc(-c2cc(C(=O)O)ccc2C)cn1 67677535 GAXFGIZQCVVZJK-UHFFFAOYSA-N 243.262 2.764 0 50 BFAA OCc1ccc(Br)c(F)c1Cl 258368239 ZVNPUPIQMJBKLS-UHFFFAOYSA-N 239.471 2.734 0 50 BFAA Cc1ccc(Br)nc1OC(F)F 263624777 UBPWAHAMJWCMEV-UHFFFAOYSA-N 238.031 2.754 0 50 BFAA OCCN1CCC[C@@H]1[C@@H]1CCCc2ccccc21 371884960 XGAVHBZTBKGHJF-HZPDHXFCSA-N 245.366 2.563 0 50 BFAA C=CC(=O)N[C@](C)(CC)c1ccc(F)cc1 1336681927 NWJALUXBEMGPTR-CYBMUJFWSA-N 221.275 2.753 0 50 BFAA Cc1[nH]c2ccccc2c1C(=O)CN1CCCC1 126139 QELAFRIZEKCQTC-UHFFFAOYSA-N 242.322 2.755 0 50 BFAA Cc1cccc(NC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 396894 RDJGBTQABHBLSE-VXGBXAGGSA-N 248.326 2.636 0 50 BFAA O=C(O)/C=C/CCCCCCCCC(=O)O 1586420 MAZWDMBCPDUFDJ-VQHVLOKHSA-N 228.288 2.833 0 50 BFAA endogenous,in-man Cc1nccnc1SCc1ccco1 2516012 PFRSWMCUERVSAT-UHFFFAOYSA-N 206.270 2.670 0 50 BFAA endogenous,in-man Nc1ccc(Br)c(Cl)c1F 2525780 WYXZIQDHENNEPU-UHFFFAOYSA-N 224.460 2.824 0 50 BFAA in-vitro CC(C)(C)CN/C=C1\C(=O)Nc2ccccc21 3877189 PYSZQFWQPIEQPM-FLIBITNWSA-N 230.311 2.615 0 50 BFAA CC(C)N1C(=O)S/C(=C/c2cccnc2)C1=O 4688023 DHFMUPUAHPHNRG-UXBLZVDNSA-N 248.307 2.526 0 50 BFAA CC(C)CN[C@@H](C)CCCC(C)(C)O 4728656 XQYGYFPCJYWXTF-NSHDSACASA-N 201.354 2.562 0 50 BFAA O=C1NC2(CCCCCC2)NN1c1ccccc1 4839671 QKJFGXJXDLJQOJ-UHFFFAOYSA-N 245.326 2.771 0 50 BFAA CC(C)=NNC(=O)Nc1ccccc1Cl 5283325 PLDCUSKBQVTPPU-UHFFFAOYSA-N 225.679 2.857 0 50 BFAA O=C1CCCC[C@@H]1C(=O)c1ccccc1 19202593 YTVQIZRDLKWECQ-NSHDSACASA-N 202.253 2.629 0 50 BFAA Nc1ccc(N2CCCCC2)c2ncccc12 35341760 JGNMWWCORPDOBC-UHFFFAOYSA-N 227.311 2.807 0 50 BFAA CCNc1ccnc(-c2cc(OC)ccc2F)n1 65405871 VSXJCGXDGHMRDL-UHFFFAOYSA-N 247.273 2.723 0 50 BFAA COc1ncccc1-c1ccc(O)c(C(C)=O)c1 67967157 DJZRNZYYVWXBGH-UHFFFAOYSA-N 243.262 2.665 0 50 BFAA CC(C)=C1C(=O)N[C@H](C)/C1=C/c1ccccc1 102318525 FMVUWBOOZCUMBD-NASPGAHYSA-N 227.307 2.925 0 50 BFAA O=[S@@](O)c1ccc(Cl)c(C(F)(F)F)c1 125975029 ULKZTLHQGJKHLX-UHFFFAOYSA-N 244.621 2.939 0 50 BFAA CC1(C)CCc2nc(Cl)ccc2C1=O 143594044 XCTQNEIWUSOVLI-UHFFFAOYSA-N 209.676 2.890 0 50 BFAA Cc1cccc([C@@H](C)NCC[C@H](C)O)c1C 167741622 YLPIFFMXZYEFAI-WCQYABFASA-N 221.344 2.725 0 50 BFAA COCCN(C[Si](C)(C)C)C(C)(C)C 169822246 DPKJOHXJEZUROC-UHFFFAOYSA-N 217.429 2.611 0 50 BFAA in-vitro O=[S@@](O)Cc1cc(Cl)cc(Cl)c1 204769882 CYMAOLYXJVSCBC-UHFFFAOYSA-N 225.096 2.715 0 50 BFAA CCOc1nc(C)c([C@@H](C)O)c2ccccc12 252508033 XAVLKJIXINBWCZ-SNVBAGLBSA-N 231.295 2.995 0 50 BFAA Cc1cccc(NC(=O)N2CCCC2)c1F 272066430 TVJUMSVABNWSGH-UHFFFAOYSA-N 222.263 2.762 0 50 BFAA CN1CCCC[C@H]1CCSC1=NCCS1 408513643 NFCJZNWENSPINQ-JTQLQIEISA-N 244.429 2.697 0 50 BFAA CCn1nc(-c2ccc(C)cc2C)nc1N(C)C 426668967 IFLZFNUSUYKBBP-UHFFFAOYSA-N 244.342 2.648 0 50 BFAA CCn1nc(C)cc1-c1cc(C)cc2nccn12 877871094 KIFINBZDWURARU-UHFFFAOYSA-N 240.310 2.835 0 50 BFAA Cc1ccc(-c2cncc(N)n2)c2cccnc12 2100477067 BCQNBNMGCNUUAX-UHFFFAOYSA-N 236.278 2.582 0 50 BFAA CCOC(=O)c1cc2cc(OC)ccc2nc1C 53127 DOOZEQYEQPQCGX-UHFFFAOYSA-N 245.278 2.729 0 50 BFAA in-vitro Cc1cc2ncn(C(=O)c3ccco3)c2cc1C 83185 IEFASWXQLYDTRH-UHFFFAOYSA-N 240.262 2.935 0 50 BFAA CCOc1cc(OCC)nc(-c2ccccc2)n1 331451 WGVMROQOKPEOAP-UHFFFAOYSA-N 244.294 2.941 0 50 BFAA Cc1c(Br)ccc(NC=O)c1C 466154 DUZUSGDMMRYUBZ-UHFFFAOYSA-N 228.089 2.634 0 50 BFAA COc1ccc([C@H]2CCCC[C@@H]2O)cc1OC 1431471 WJLUOTSDBABMCM-NEPJUHHUSA-N 236.311 2.722 0 50 BFAA CCOC(=O)c1cnn(-c2ccc(C)cc2)c1C 2532520 QCHQXWJIFQCZCD-UHFFFAOYSA-N 244.294 2.666 0 50 BFAA Cc1ccc(NC(=O)OC(C)(C)C)c(N)c1 2547919 XNPUCPSCDSDLKP-UHFFFAOYSA-N 222.288 2.924 0 50 BFAA in-vitro COc1ccc(C(=O)C(F)(F)F)cc1F 4255948 KCKNISJJNZGMMP-UHFFFAOYSA-N 222.137 2.579 0 50 BFAA CCc1ccccc1NC(=O)NC[C@H]1CCCO1 6725521 DMRNERYPMNBQJT-GFCCVEGCSA-N 248.326 2.550 0 50 BFAA Nc1nc2cc(Cl)c(Br)cc2o1 8614790 PEEJUZZCANIEIL-UHFFFAOYSA-N 247.479 2.826 0 50 BFAA Cc1ccc(CCCNC(=O)c2ccco2)cc1 10110407 GTZZGNOHVUCUGE-UHFFFAOYSA-N 243.306 2.951 0 50 BFAA NCCc1csc(-c2ccc(Cl)cc2)n1 11956037 HPALOZKDXABWHG-UHFFFAOYSA-N 238.743 2.965 0 50 BFAA COc1cc2ccccc2c(C=O)c1OC 12956534 VTUMHIXLEZHVEJ-UHFFFAOYSA-N 216.236 2.670 0 50 BFAA Cc1cc(F)ccc1Nc1ncccc1C(=O)O 13091112 PMLOMHHJLPQOKO-UHFFFAOYSA-N 246.241 2.971 0 50 BFAA CC(=O)NC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 33817565 WVIRSYCDAYUOMJ-AKJUYKBHSA-N 221.344 2.872 0 50 BFAA in-vitro CC(C)(C)OC(=O)c1cc(N)ccc1Cl 37729952 MBQLNHTZIFBBQK-UHFFFAOYSA-N 227.691 2.878 0 50 BFAA O=C1C=CCC2(CCCC2)[C@@]12CCCO2 43198878 JXVHYGQFCONZFB-CYBMUJFWSA-N 206.285 2.625 0 50 BFAA Nc1nc2cc(F)c(Cl)cc2s1 45235881 OKTZUXGSXXPGMT-UHFFFAOYSA-N 202.641 2.671 0 50 BFAA c1ccc(-c2ccc([C@H]3CNCCN3)cc2)cc1 89222290 QUINYTMXFWCKTN-MRXNPFEDSA-N 238.334 2.588 0 50 BFAA in-vitro CCC1=NC[C@@H]2c3cccc(OC)c3O[C@]12C 96027953 HLFISRJGUDVBPT-YGRLFVJLSA-N 231.295 2.795 0 50 BFAA COC(=O)c1cc(Cl)cc2c1OC(C)(C)C2 149766675 DMODIJOJLFQBKK-UHFFFAOYSA-N 240.686 2.840 0 50 BFAA in-vitro Cc1ccc(-c2ccc(CC(=O)O)cn2)c(C)c1 259121509 HFJYWSHLRVIYQZ-UHFFFAOYSA-N 241.290 2.993 0 50 BFAA C=CC(=O)N1CCC[C@]1(C)Cc1cccs1 952879952 AWMHXYXMDGFZTQ-CYBMUJFWSA-N 235.352 2.858 0 50 BFAA CC(=O)Oc1ccc2oc(C)c(C(C)=O)c2c1 78712 WQEWETIFDKPSPO-UHFFFAOYSA-N 232.235 2.869 0 50 BFAA biogenic CC(C)(C)OC(=O)NOCc1ccccc1 155937 MZNBNPWFHGWAGH-UHFFFAOYSA-N 223.272 2.643 0 50 BFAA in-vitro Cc1ccc(S(=O)(=O)C(C)(C)C)s1 270961 IUYQOEIQRVMRQW-UHFFFAOYSA-N 218.343 2.629 0 50 BFAA Cc1cc(N)c(Br)cc1C 397568 AFGDDVNXAPMUAQ-UHFFFAOYSA-N 200.079 2.648 0 50 BFAA in-vitro CCC1CCC(N(C)C2CCN(C)CC2)CC1 757217 ARCPFCJQEPFWGH-UHFFFAOYSA-N 238.419 2.981 0 50 BFAA Clc1cc(Cl)cc([C@@H]2CNCCO2)c1 2513059 FLCUDNDPRMIYHA-JTQLQIEISA-N 232.110 2.654 0 50 BFAA in-vitro NC(=S)NN(c1ccccc1)c1ccccc1 2513364 RIGSCLQYDNUWPR-UHFFFAOYSA-N 243.335 2.573 0 50 BFAA COC(=O)C[C@H](C)c1cn(C)c2ccccc12 2548275 QIOUBQLAFUPETC-JTQLQIEISA-N 231.295 2.845 0 50 BFAA Cc1sc(-c2ccccc2)nc1CCO 2559145 LFWWGOVVMHFOKV-UHFFFAOYSA-N 219.309 2.653 0 50 BFAA CCOC(=O)Cc1ccc(Br)cc1 2565978 ZFDCWHPNBWPPHG-UHFFFAOYSA-N 243.100 2.555 0 50 BFAA COc1cc2c(cc1OC)[C@H](C(C)C)NCC2 4262284 IRWSLTSAQIJKQL-AWEZNQCLSA-N 235.327 2.547 0 50 BFAA COC[C@@H](O)CSCc1ccc(Cl)cc1 4947873 FEMPDDWTLZNMQF-LLVKDONJSA-N 246.759 2.581 0 50 BFAA Cc1ccc(OCc2c(C(=O)O)noc2C)cc1 6658180 IGILQUDBJIFVKB-UHFFFAOYSA-N 247.250 2.569 0 50 BFAA CC[C@@]1(C)N(O)C(C)=C(c2ccccc2)[N+]1=O 13154228 SEXFVTSCMBNHML-ZDUSSCGKSA-N 233.291 2.985 0 50 BFAA NCCCSc1ccc(Cl)cc1 19093339 VVSRYXXUZUUHDJ-UHFFFAOYSA-N 201.722 2.781 0 50 BFAA in-vitro Cc1cccc(CN2CCN(C(C)C)CC2)c1 19789208 UPEAPEJOEZUGLG-UHFFFAOYSA-N 232.371 2.521 0 50 BFAA C[C@@H](CCN1CCCN(C)CC1)c1ccccc1 22045090 FMTFDELLASSVQQ-HNNXBMFYSA-N 246.398 2.818 0 50 BFAA CCC/C=C1\OC(=O)c2ccc(O)cc21 32302599 NRENRLOUWSVYIA-WCIBSUBMSA-N 204.225 2.704 0 50 BFAA biogenic,in-vitro CC(C)=CCC[C@@H](C)NCC1(CO)CCC1 32592807 LZFWOWUMKQRMDR-CYBMUJFWSA-N 225.376 2.874 0 50 BFAA CCCCNc1c(N)ccc(F)c1F 53163487 INIYEAMWMXGPMD-UHFFFAOYSA-N 200.232 2.759 0 50 BFAA CCOC(=O)c1ccc(NC(=O)CC)c(C)c1 71375546 VZCRGQGMGNAAOM-UHFFFAOYSA-N 235.283 2.520 0 50 BFAA O=c1cccc(CCCCOc2ccccc2)[nH]1 91452416 MPQVRYZLYFFRIB-UHFFFAOYSA-N 243.306 2.777 0 50 BFAA Cn1c(Br)cnc1-c1ccccc1 141171941 TVAYGQCZSIJSSF-UHFFFAOYSA-N 237.100 2.850 0 50 BFAA NC(=O)c1cc(F)c(Cl)c(Cl)c1Cl 238607907 RYCDBJLDARFIGH-UHFFFAOYSA-N 242.464 2.885 0 50 BFAA C[C@H](NC(=O)C1CCC1)[C@H]1C[C@H]2CC[C@H]1C2 243148923 JNHOBKBZGZEFPQ-XRRVDJEJSA-N 221.344 2.727 0 50 BFAA C[C@]1(CO)CCCN([C@H]2CCc3ccccc32)C1 252570581 WVFANUHZCMOXBC-HOTGVXAUSA-N 245.366 2.768 0 50 BFAA COc1ccc(C=Cc2nccc(O)n2)cc1F 1857533314 XIWDBYUDXOOBJR-UHFFFAOYSA-N 246.241 2.500 0 50 BFAA Cc1occc1C(=O)Nc1ccc(N(C)C)cc1 214351 OPSGBMCHESBTBA-UHFFFAOYSA-N 244.294 2.906 0 50 BFAA CCN1CCC(N(C)C2CCCCC2)CC1 279578 SVTGRFRTPOBUQG-UHFFFAOYSA-N 224.392 2.735 0 50 BFAA Cc1cc(-c2ccccc2)[n+]2ccccc2n1 300971 JLLVSZKOLJYGEP-UHFFFAOYSA-N 221.283 2.796 0 50 BFAA [O-][n+]1cc2ccccc2c2ccsc21 334349 LRECFHQWCWLVPM-UHFFFAOYSA-N 201.250 2.688 0 50 BFAA Cc1ccc2nc(Cl)c(C(=O)O)cc2c1 422515 DBGAUWPEPWBXEG-UHFFFAOYSA-N 221.643 2.895 0 50 BFAA in-vitro COCCNC(=O)Nc1cccc2ccccc12 1722333 VPRVZGBEURQCEE-UHFFFAOYSA-N 244.294 2.608 0 50 BFAA C[C@@H](OC(=O)Cc1ccccc1)C(F)(F)F 2172759 WHGKRESXPNJCGE-MRVPVSSYSA-N 232.201 2.723 0 50 BFAA CCCC(=O)Nc1ccc(C(=O)NC(C)C)cc1 14553763 KJDNNPKXOOHKGT-UHFFFAOYSA-N 248.326 2.563 0 50 BFAA Cc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 23114947 YBASFLNAHCRHIM-CHWSQXEVSA-N 219.328 2.604 0 50 BFAA Cc1ncc2[nH]c3ccccc3c2c1C(=O)O 23549749 QXZAWXVOHCNEMW-UHFFFAOYSA-N 226.235 2.723 0 50 BFAA Cc1ccc2cc(C(=O)O)c(C)nc2c1C 32099227 KNGACCJHYQQKRJ-UHFFFAOYSA-N 215.252 2.858 0 50 BFAA in-vitro CCOC(=O)[C@@H]([C@@H](C)CC)n1cccc1 40488292 RGEPVMUUYVYHRJ-WDEREUQCSA-N 209.289 2.638 0 50 BFAA Cc1nc2cc(Br)ccc2n1C 82600224 KXQPLXMYJLKDMW-UHFFFAOYSA-N 225.089 2.644 0 50 BFAA CNC1(C(=O)c2ccccc2C)CCCC1 96027417 RAVXODZWUMHLDY-UHFFFAOYSA-N 217.312 2.710 0 50 BFAA CC(=O)Nc1cc(Cl)c(F)cc1C 97757506 XGALWCRXPHDEAR-UHFFFAOYSA-N 201.628 2.746 0 50 BFAA in-vitro CC1=C[C@H](C)[C@@]2(CO)CO[C@H](C(C)C)[C@H]1[C@H]2C 105364836 BNAPJYMSXNSYQF-NJVJYBDUSA-N 238.371 2.868 0 50 BFAA biogenic Nc1cc(Cl)c(C(F)(F)F)cc1O 115059103 KUDPMERAGIMFRS-UHFFFAOYSA-N 211.570 2.647 0 50 BFAA in-vitro Cc1cccc(CN(C)Cc2cnn(C)c2)c1C 119690875 FDHXOJVHIXIFEH-UHFFFAOYSA-N 243.354 2.669 0 50 BFAA Cc1cc2nccnc2cc1Br 167479782 HOEDWTAFUPBYQH-UHFFFAOYSA-N 223.073 2.701 0 50 BFAA CN(c1ccccc1)[S@](=O)C(C)(C)C 200964645 IJDUIPHIFHJZKC-CQSZACIVSA-N 211.330 2.585 0 50 BFAA C[C@H](NCCOCC1CCC1)c1cccc(O)c1 253431708 SXWNKXUSXHTGOB-LBPRGKRZSA-N 249.354 2.860 0 50 BFAA CCOC(=O)c1cc2c(F)cccc2o1 259873639 ULZXYIKVGUOUJY-UHFFFAOYSA-N 208.188 2.749 0 50 BFAA CC(C)Oc1cc(O)cc(Cl)c1F 261494390 WKAPCNSKRUUZMW-UHFFFAOYSA-N 204.628 2.972 0 50 BFAA O=C(O)c1cnc(-c2ccc3[nH]ccc3c2)s1 534651667 FEAXHEYEAGQLJK-UHFFFAOYSA-N 244.275 2.990 0 50 BFAA COc1ncccc1-c1cccc2[nH]ncc12 1250531611 HCXYMKDJTJQJBX-UHFFFAOYSA-N 225.251 2.634 0 50 BFAA C=CC(=O)N[C@@H](C)Cc1ccccc1SC 1875367899 XUYAGSOAWCHRFS-JTQLQIEISA-N 235.352 2.642 0 50 BFAA Cc1cc(C)cc(NC(=O)CCN2CCCC2)c1 178149 DOCALGAWDLALGI-UHFFFAOYSA-N 246.354 2.728 0 50 BFAA c1cc2c(cc1CN1CCCCCC1)OCO2 240754 XEKFCYVTBHCIQD-UHFFFAOYSA-N 233.311 2.791 0 50 BFAA C[C@H]1CCCC[C@@H]1NC(=O)COc1ccccc1 388987 HRMBSUOPIATDGS-JSGCOSHPSA-N 247.338 2.760 0 50 BFAA O=Cc1cccn1-c1ccccc1Cl 3676286 ZGGBSDXOHAFIOQ-UHFFFAOYSA-N 205.644 2.943 0 50 BFAA in-vitro CC(=O)Nc1c(Cl)cccc1Cl 4016100 DWVWVSLAIJHBBG-UHFFFAOYSA-N 204.056 2.952 0 50 BFAA in-vitro CCc1ccc(-n2c(S)nnc2CC)cc1 6395130 VRGAFKKFQFFQOX-UHFFFAOYSA-N 233.340 2.681 0 50 BFAA CC(C)Sc1nc2ccccc2n2cnnc12 6703817 HLQHTJGLBRIRJR-UHFFFAOYSA-N 244.323 2.778 0 50 BFAA N[C@H]1CC2(CCCC2)Oc2ccccc21 11730120 JLJGHWLOLDSRLO-NSHDSACASA-N 203.285 2.782 0 50 BFAA in-vitro NC(=O)C1(c2ccc(Cl)cc2)CCCC1 12429081 VNFVJAGKRQIORD-UHFFFAOYSA-N 223.703 2.637 0 50 BFAA in-vitro O=C(c1ccc(F)cc1)c1nccs1 15441688 WAEFXOHGIZBYGZ-UHFFFAOYSA-N 207.229 2.513 0 50 BFAA C[C@H](Oc1ccccc1)c1csc(N)n1 19089731 IOYUQHJSBCNHPU-QMMMGPOBSA-N 220.297 2.865 0 50 BFAA in-vitro Cc1c([C@H](C)O)sc2nc3ccccc3n12 71773403 VQFPHFJUVJDQAI-QMMMGPOBSA-N 232.308 2.911 0 50 BFAA COC(=O)c1ccc2nccc(Cl)c2c1 87493339 LGAFXSKTJPIZMQ-UHFFFAOYSA-N 221.643 2.675 0 50 BFAA COC(=O)c1ccc(Br)c(C)c1C 95642857 OBGPZONEGQIWOS-UHFFFAOYSA-N 243.100 2.853 0 50 BFAA CCN1CC[C@@H](NCCCC(C)C)[C@@H](C)C1 221874523 PKAFQOIFROJWGF-UONOGXRCSA-N 226.408 2.743 0 50 BFAA CCN(CC)C(=O)c1cc(O)ccc1Cl 233452853 QXYSHCJRTBYUIB-UHFFFAOYSA-N 227.691 2.528 0 50 BFAA Cc1cc(-c2cnn([C@H]3CCCCO3)c2)ccn1 426658318 JQIWKIYONNHAQG-CQSZACIVSA-N 243.310 2.953 0 50 BFAA CSCCC(=O)NC1(c2cccc(C)c2)CC1 534646533 PFHFIMWRDCGOPA-UHFFFAOYSA-N 249.379 2.853 0 50 BFAA CC(=O)NCC1(Nc2ccccc2C)CCCC1 583651108 FMQZBTHJXYCRNU-UHFFFAOYSA-N 246.354 2.856 0 50 BFAA C1CCCn2c(nnc2[C@@H]2CCCCO2)CC1 630951637 MQZGDFSHHKCGJF-NSHDSACASA-N 235.331 2.636 0 50 BFAA C=CC(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 863971384 QZPSTAIWTALKPD-RBSFLKMASA-N 241.334 2.967 0 50 BFAA COc1ccc(C(=O)CCN2CCCCC2)cc1 128630 CCXXDLSIESOOMN-UHFFFAOYSA-N 247.338 2.754 0 50 BFAA biogenic Cc1cc(C(=O)O)c(-c2ccccc2)o1 229692 CASZQQKUMVLKBY-UHFFFAOYSA-N 202.209 2.953 0 50 BFAA in-vitro COc1cccc(CNC2CCCC2)c1 263333 LGUBODKVEXFVAU-UHFFFAOYSA-N 205.301 2.727 0 50 BFAA in-vitro CC(=O)CSc1nnc(-c2ccc(C)cc2)o1 617114 IPUCXZCFBHAEHS-UHFFFAOYSA-N 248.307 2.726 0 50 BFAA O=C(O)CCCC(=O)c1c[nH]c2ccccc12 1088045 ODUVLUWKHFDMEZ-UHFFFAOYSA-N 231.251 2.606 0 50 BFAA biogenic CCCCS(=O)(=O)c1ccccc1C 2173002 LQGYHUITDSQCOX-UHFFFAOYSA-N 212.314 2.569 0 50 BFAA CC1=C(CC(=O)O)c2cc(F)ccc2C1 2572704 QDDPPRDVFIJASZ-UHFFFAOYSA-N 206.216 2.630 0 50 BFAA O=C(N/C=C/c1ccco1)NCc1ccccc1 3105131 NZZQKSWQEZCYLD-CMDGGOBGSA-N 242.278 2.750 0 50 BFAA C[C@H]1C(=O)Nc2cc(Br)ccc21 4963158 ABTRLWBSKIYPKP-RXMQYKEDSA-N 226.073 2.505 0 50 BFAA in-vitro Cc1ccc(NC(=O)CC2CCN(C)CC2)cc1 71384838 MOKODWPVJURKGX-UHFFFAOYSA-N 246.354 2.665 0 50 BFAA Cc1cnc(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)s1 102838376 BSFIVAQEGXLFCF-GUBZILKMSA-N 236.340 2.826 0 50 BFAA CC(C)=CCN1CCCC[C@@H]1c1cn[nH]c1 114482817 OLZKJGSXKKQJSJ-CYBMUJFWSA-N 219.332 2.903 0 50 BFAA CCCN1CC[C@](C)(O)[C@H](Cc2ccccc2)C1 211594288 ZKRSOGUPWOYSAE-CVEARBPZSA-N 247.382 2.712 0 50 BFAA Cc1ccc(CC(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1 225252433 FTSLGXCELCPDCE-SOUVJXGZSA-N 243.350 2.842 0 50 BFAA C[C@H](N[C@H](C)[C@H]1CC1(C)C)C(=O)OC(C)(C)C 225611626 YRVKSCJVCHRCEH-OUAUKWLOSA-N 241.375 2.741 0 50 BFAA CN1CCC(N2CCC[C@@H]3CCCC[C@H]32)CC1 230136304 MGESHONGICXGSQ-DZGCQCFKSA-N 236.403 2.735 0 50 BFAA N[C@H]1CC[C@H](NCc2ccc(Cl)cc2)CC1 248087961 TXBKFSNPSGKDIW-JOCQHMNTSA-N 238.762 2.700 0 50 BFAA C[C@H](Cc1ccccc1F)NC(=O)[C@H]1C[C@H]1C 249756983 ILELVXDFDGCZKN-FOGDFJRCSA-N 235.302 2.529 0 50 BFAA C[C@@H]1CC[C@H](Sc2nc3ncncc3[nH]2)C1 292639978 LMVNJUUTSNVSBB-SFYZADRCSA-N 234.328 2.634 0 50 BFAA CCCSCC(=O)Nc1cc(C)cc(N)c1 602598178 OCTSHPRHKHEYGB-UHFFFAOYSA-N 238.356 2.659 0 50 BFAA COC(=O)c1sccc1/C=C/Br 685964517 KQKRXRUQHMNLQI-DUXPYHPUSA-N 247.113 2.900 0 50 BFAA c1nc(C2(NCC3CCCCCC3)CC2)no1 952879590 JTXGYABEDHTUSV-UHFFFAOYSA-N 235.331 2.619 0 50 BFAA COc1ccccc1NC(=O)N1CCC[C@H](C)C1 400216 JXKIPUVOLRVNQE-NSHDSACASA-N 248.326 2.959 0 50 BFAA O=C1CCC[C@@H]1SC(=S)N1CCCCC1 401303 WECNIUXOOQPAMG-JTQLQIEISA-N 243.397 2.612 0 50 BFAA CCn1c(Cc2ccccc2)n[nH]c1=S 567049 GMKFDKUHIRAVBS-UHFFFAOYSA-N 219.313 2.551 0 50 BFAA in-vitro CCOC(=O)/C=C/[C@H]1C[C@@H]1c1ccccc1 4020195 PEEFCGIMKBGSEH-AYSSICMYSA-N 216.280 2.909 0 50 BFAA Nc1ccc2nc(-c3ccccc3)[nH]c2c1 5593688 NEWWXWMKZVSLFT-UHFFFAOYSA-N 209.252 2.812 0 50 BFAA in-vitro Cc1ccc(-c2nc3c(s2)CNCC3)cc1 11568405 LNMRJGNNVLUEHT-UHFFFAOYSA-N 230.336 2.764 0 50 BFAA FCCCOc1ccc([C@@H]2NCCS2)cc1 12336768 YJMNOVGUJOGKGS-GFCCVEGCSA-N 241.331 2.760 0 50 BFAA COc1cc(CO)c(Cl)cc1OC(C)C 12382742 PROBVDPNYSOBMB-UHFFFAOYSA-N 230.691 2.628 0 50 BFAA CN(C)C(=S)Nc1nc2ccccc2s1 13518765 SHKIAKVYCNVNHP-UHFFFAOYSA-N 237.353 2.555 0 50 BFAA Cc1ccc2nc([C@@H]3CCCNC3)oc2c1 34924866 XNYGWJNYUFAOLM-SNVBAGLBSA-N 216.284 2.603 0 50 BFAA CC(C)Cc1c(-c2ccccc2)ncn1CCN 65385716 BUMDMQOKSXARDM-UHFFFAOYSA-N 243.354 2.707 0 50 BFAA OC[C@@H](CNC[C@@H]1CC=CCC1)c1ccccc1 124358353 LDQOMOZTOHOUJX-GDBMZVCRSA-N 245.366 2.708 0 50 BFAA O=C(C1=CCCCC1)N1C[C@H]2CCC[C@H]2C1 130053557 LDTFQRAQFYPGOA-BETUJISGSA-N 219.328 2.745 0 50 BFAA C[C@H](CC1CCOCC1)Nc1cccc(CO)c1 225602041 OPZIJSDVSMKWFN-GFCCVEGCSA-N 249.354 2.796 0 50 BFAA COC(=O)c1cccc(-c2cncn2C(C)C)c1 261167618 XUPZGHQIYOHDSL-UHFFFAOYSA-N 244.294 2.918 0 50 BFAA C[C@@H](c1ccc(F)cc1)N(C)C(=O)OCCF 583651453 MDFLHDNPMVZADE-VIFPVBQESA-N 243.253 2.925 0 50 BFAA O=C(OCCc1cccc2ncccc12)C1CC1 835656853 LHLBTJGWRODVFV-UHFFFAOYSA-N 241.290 2.731 0 50 BFAA Cc1ccc([C@@H]2NC(=O)c3ccccc3O2)cc1 50966 NAUIKHQOPHSUKM-OAHLLOKOSA-N 239.274 2.816 0 50 BFAA Cc1ccc(C)c(C(=O)Nc2ccncc2)c1 514760 IFKFBPCLCKZMAE-UHFFFAOYSA-N 226.279 2.951 0 50 BFAA CN1CCC(N2CCC[C@H]3CCCC[C@@H]32)CC1 757850 MGESHONGICXGSQ-HIFRSBDPSA-N 236.403 2.735 0 50 BFAA CCOC(=O)Cc1c(F)cccc1Cl 2570116 CEWCLHPMDWPDNQ-UHFFFAOYSA-N 216.639 2.585 0 50 BFAA in-vitro O=C(/C=C/c1cccs1)NC1CCCC1 2741886 NDBJCGVOOJBEPO-BQYQJAHWSA-N 221.325 2.820 0 50 BFAA COc1cccc(-c2nc(C)c(C(=O)O)s2)c1 5175349 WFBWIROXKGGXAW-UHFFFAOYSA-N 249.291 2.825 0 50 BFAA in-vitro Cc1ccc(F)c(NC(=O)c2cccnc2)c1 12976836 VMLJWFAOTHOHFT-UHFFFAOYSA-N 230.242 2.781 0 50 BFAA Cc1cc(OC(C)C)nc(-c2ccccc2O)n1 13126626 YMNZGCSITVSXJG-UHFFFAOYSA-N 244.294 2.945 0 50 BFAA CCN1CCC(NCCC2=CCCCC2)CC1 20093619 ACAZJGRECKLNFU-UHFFFAOYSA-N 236.403 2.951 0 50 BFAA C/C(=C\c1ccccc1)CN1CCCN(C)CC1 22586637 HJECCTCVUMBVLE-FYWRMAATSA-N 244.382 2.727 0 50 BFAA CCOC(CN[C@@H](C)c1ccccc1)OCC 30834186 QDHRXUGGUCCOLT-LBPRGKRZSA-N 237.343 2.736 0 50 BFAA CN(C)C(=O)c1cccc(-c2ccc(N)cc2)c1 74937783 WHDYNEJPKZVKCF-UHFFFAOYSA-N 240.306 2.638 0 50 BFAA in-vitro COC(=O)c1cc(F)cc(-c2ccc(N)cc2)c1 74938306 UHULQFJYWSPSQN-UHFFFAOYSA-N 245.253 2.862 0 50 BFAA in-vitro O=C(O)c1ccc(OCc2ccccc2)c(O)c1 82048926 ANRLTZBTFFXIPU-UHFFFAOYSA-N 244.246 2.669 0 50 BFAA O=C(Nc1ccc(F)cc1)c1cccc(F)n1 131068817 XNRZFROJDFCFES-UHFFFAOYSA-N 234.205 2.612 0 50 BFAA COc1cc(Cl)c2c(O)nc(Cl)nc2c1 498049461 VQULVZJHJMUBLB-UHFFFAOYSA-N 245.065 2.651 0 50 BFAA C=CC(=O)N1CC[C@H](c2cc3ccccc3[nH]2)C1 820436744 LMTZHRMTULKIMZ-LBPRGKRZSA-N 240.306 2.670 0 50 BFAA C=CC(=O)Nc1nc2c(s1)CCCC2(C)C 863971347 PRTXQXFRYQHFBG-UHFFFAOYSA-N 236.340 2.882 0 50 BFAA c1ccc(Cc2ncoc2-c2cnc[nH]2)cc1 2356157590 MILHNDJZVFJBHR-UHFFFAOYSA-N 225.251 2.656 0 50 BFAA C[C@@](O)(c1ccc(Cl)cc1)c1ccccn1 399053 MVGXHPOATKRSGF-CYBMUJFWSA-N 233.698 2.991 0 50 BFAA COC(=O)N(O)c1ccc(Cl)c(Cl)c1 400503 FERYDKIBNPYXBS-UHFFFAOYSA-N 236.054 2.955 0 50 BFAA Clc1cnc(NCc2ccccc2)nc1 406529 QEUOFWQMVNLKPM-UHFFFAOYSA-N 219.675 2.742 0 50 BFAA in-vitro Cc1ccc(OCCCn2ccnc2)cc1 2493368 ZBMJKUZAILIVOY-UHFFFAOYSA-N 216.284 2.661 0 50 BFAA CCCCOCCCNC(=O)[C@H](C)CCC 2735135 BUPQCURNGQQDKC-GFCCVEGCSA-N 229.364 2.746 0 50 BFAA Cc1cc(C(=O)NCCC2=CCCCC2)no1 2872509 AAXJCMUPNOBCPU-UHFFFAOYSA-N 234.299 2.603 0 50 BFAA CN1C(=O)O[C@@]2(C)CCc3ccccc3[C@]12C 3958387 CTDWXPWFRVKRSF-KBPBESRZSA-N 231.295 2.689 0 50 BFAA C(=C(/c1ccccc1)n1cccn1)\n1cccn1 4127138 QOODUESEDIFUGP-OWBHPGMISA-N 236.278 2.584 0 50 BFAA CCc1[nH]c2c(C(=O)O)cccc2c1C 6677317 BEHNSUINOFNASC-UHFFFAOYSA-N 203.241 2.737 0 50 BFAA CCc1noc(N)c1-c1ccc(F)cc1 8745748 LJMQWOISRINAAD-UHFFFAOYSA-N 206.220 2.625 0 50 BFAA in-vitro COc1ccc([C@@H](C)NC(=O)C(C)C)cc1 12381913 IWVMLIGJOLFVTK-SNVBAGLBSA-N 221.300 2.528 0 50 BFAA CC[C@@H]1CCCCN1C(=O)NC1CCCC1 13328222 BMTKXFWVCPMIIU-GFCCVEGCSA-N 224.348 2.903 0 50 BFAA CCCOc1ccc(C(=O)Nc2ccon2)cc1 13746928 AVJJLEJVTQETMJ-UHFFFAOYSA-N 246.266 2.716 0 50 BFAA Nc1cc(Br)nc2ccccc12 14982023 ABCXIORVMZVFKC-UHFFFAOYSA-N 223.073 2.580 0 50 BFAA in-vitro Cc1cc(C(=O)Nc2ccncc2)c(C)o1 16604776 LSWLYNGTJMNMRF-UHFFFAOYSA-N 216.240 2.544 0 50 BFAA in-vitro C[C@@H](CNC(=O)c1ccco1)c1ccccc1 23444846 VSPCRCDQVNEGHK-NSHDSACASA-N 229.279 2.813 0 50 BFAA CC(C)(C)OC(=O)c1cccc(Cl)n1 65337577 DVPHJLOQDYBPAW-UHFFFAOYSA-N 213.664 2.690 0 50 BFAA in-vitro O=c1[nH]cccc1-c1cnc2ccccc2c1 65530073 XSYQAVYBSVRFNC-UHFFFAOYSA-N 222.247 2.590 0 50 BFAA FC(F)(F)c1nccnc1C(F)(F)F 77011743 ABHLZHRGCQAXEN-UHFFFAOYSA-N 216.084 2.514 0 50 BFAA CC(=O)c1cccc(Br)c1C 84478643 LBNWYNIGDUWAOQ-UHFFFAOYSA-N 213.074 2.960 0 50 BFAA in-vitro Cc1sc(C)c(CN)c1Br 215753677 DBSWDWGLSRBYJS-UHFFFAOYSA-N 220.135 2.586 0 50 BFAA Cc1nc(-n2cccc2)sc1-c1ccn[nH]1 221598259 OKORIWBGRSBGRH-UHFFFAOYSA-N 230.296 2.632 0 50 BFAA C[C@@H]1Cc2ccc(F)c(Br)c2CN1 307220394 OTVRFBVNONIQCT-ZCFIWIBFSA-N 244.107 2.622 0 50 BFAA COc1cccc(C(=O)N2[C@H]3CCC[C@H]2CC3)c1 334792593 HMGGZNXSHZLSTO-STQMWFEESA-N 245.322 2.852 0 50 BFAA Fc1ccc2ncnc(N[C@@H]3[C@H]4CCC[C@H]43)c2c1 362838125 NMPHUPQYEATINN-IWIIMEHWSA-N 243.285 2.979 0 50 BFAA F[C@@H]1CCCN(CCc2cccs2)C1 902998185 HTRKZQROEPVGRD-SNVBAGLBSA-N 213.321 2.725 0 50 BFAA c1cc(-c2cc[nH]n2)c2cnsc2c1 1875339873 BCLVEHBRHCYMHQ-UHFFFAOYSA-N 201.254 2.686 0 50 BFAA C=CC(=O)Nc1noc2ccc(Cl)cc12 1875366590 KEXZWVCGOHVDON-UHFFFAOYSA-N 222.631 2.606 0 50 BFAA O=C(/C=C/c1ccco1)Nc1ccccc1 70484 MCMXBVCCALXJPS-CMDGGOBGSA-N 213.236 2.932 0 50 BFAA Cc1cc(NC(=O)Nc2ccccc2)no1 250007 HFJMOHJJEZDMGV-UHFFFAOYSA-N 217.228 2.627 0 50 BFAA COP(=O)(Cc1ccccc1)OC 1737316 QLNYTKJCHFEIDA-UHFFFAOYSA-N 200.174 2.673 0 50 BFAA CC(C)(C)Nc1nc(Cl)c(C=O)s1 2507505 BJUOXASRTPRZCN-UHFFFAOYSA-N 218.709 2.819 0 50 BFAA in-vitro O=C(O)c1ccc(Cl)c(Br)c1 2568089 NLEPZGNUPNMRGF-UHFFFAOYSA-N 235.464 2.801 0 50 BFAA in-vitro Cc1occc1C(=O)N1CCCCCC1 2741944 LDIKRDYIIPLSHV-UHFFFAOYSA-N 207.273 2.604 0 50 BFAA CCCCNC(=O)OCc1ccccc1 3086153 VQJDBGSINGXXEB-UHFFFAOYSA-N 207.273 2.713 0 50 BFAA CCCNC(=O)[C@H](C)Oc1ccc(C)cc1C 8492893 HOZWNKRLSWLFMJ-LBPRGKRZSA-N 235.327 2.597 0 50 BFAA CCc1ccccc1O[C@H](C)C(=O)NC(C)(C)C 20049098 YSGUXUIVVLIUAW-LLVKDONJSA-N 249.354 2.931 0 50 BFAA Cc1cc(Br)cc(C(=O)O)c1F 75852036 PASLKUKYXZAJOF-UHFFFAOYSA-N 233.036 2.595 0 50 BFAA OC[C@]12c3ccccc3[C@@H]3c4ccccc4[C@@H]1[C@H]32 105346965 HUSHTEIJWWUKCO-YVSFHVDLSA-N 234.298 2.789 0 50 BFAA CCOC(=O)C(C)(C)Cc1ccc(F)cc1 204212526 IIYWOHWSAOGQHF-UHFFFAOYSA-N 224.275 2.958 0 50 BFAA in-vitro N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 216657006 ZUSHQSYFWIQVNY-WAAGHKOSSA-N 215.218 2.910 0 50 BFAA C[C@@H]1[C@@H](c2ccccc2)CCN1c1cnccn1 267574415 XWKLFHKWBAZNMJ-OCCSQVGLSA-N 239.322 2.859 0 50 BFAA CCOc1cccc(-c2ccnc(CO)c2)c1 426623190 IEGDMCKBHZLDTC-UHFFFAOYSA-N 229.279 2.640 0 50 BFAA COC(C)(C)C(=O)NC1(c2cccc(C)c2)CC1 824229361 DWVCRYUJWRERRC-UHFFFAOYSA-N 247.338 2.525 0 50 BFAA C=CC(=O)N1CC[C@H](c2ccccc2)[C@@H]1C 1120460953 UJSMRYWKYLFTET-AAEUAGOBSA-N 215.296 2.577 0 50 BFAA C=CC(=O)NCc1cccc(C(C)(F)F)c1 1776006261 NWJVISCZTXVMJN-UHFFFAOYSA-N 225.238 2.601 0 50 BFAA COc1ncc(C(F)(F)F)cc1Cl 157719 ZRRBUQUZQJTWRO-UHFFFAOYSA-N 211.570 2.762 0 50 BFAA in-vitro CCOC(=O)Cc1c(C)[nH]c2ccccc12 403321 SLEXJGHKKHQSDC-UHFFFAOYSA-N 217.268 2.582 0 50 BFAA in-vitro COc1ccc2[nH]cc(-c3csc(N)n3)c2c1 506522 DSMFLFNPUPWNQN-UHFFFAOYSA-N 245.307 2.882 0 50 BFAA CCn1c(S)nnc1-c1cccc(Cl)c1 566596 UDTJJANDABWLAI-UHFFFAOYSA-N 239.731 2.907 0 50 BFAA in-vitro O=C(c1ccc(Cl)cc1)c1ccccn1 1663910 KHXSJSBQIWAIEG-UHFFFAOYSA-N 217.655 2.966 0 50 BFAA COc1ccccc1CNC(=O)c1ccc(C)o1 2872574 PUTVECOPAWXJGJ-UHFFFAOYSA-N 245.278 2.527 0 50 BFAA C[C@H](NC(=O)OC(C)(C)C)c1cccc(N)c1 6732177 QZEKBDHFLADZKW-VIFPVBQESA-N 236.315 2.855 0 50 BFAA Cc1ccc(C)n1[C@@H](CC(=O)O)c1ccco1 6924002 DQHCAMPACSWKRR-NSHDSACASA-N 233.267 2.762 0 50 BFAA Cc1cccc(-c2nnc3n2C[C@H](C)S3)c1 12462877 AHIWYANKMBHXFW-VIFPVBQESA-N 231.324 2.748 0 50 BFAA Cc1ccc(Oc2cccc(N)c2)nc1 20444337 FUAOKGHJUIUOSO-UHFFFAOYSA-N 200.241 2.765 0 50 BFAA Brc1ccc2c(c1)CCOC2 34452358 LHXQWWFCWFMCHO-UHFFFAOYSA-N 213.074 2.522 0 50 BFAA in-vitro CC1(C)OC2(CCNCC2)c2ccccc21 36533513 YJJHIMYQURVDAR-UHFFFAOYSA-N 217.312 2.531 0 50 BFAA in-vitro CCCCN(CCCN)c1ccccc1 37114724 BQBHXUOVLUFJHB-UHFFFAOYSA-N 206.333 2.642 0 50 BFAA N[C@@H](c1cccc(Cl)c1)C(F)(F)F 38540721 VWKRJAXYSCHDKI-ZETCQYMHSA-N 209.598 2.902 0 50 BFAA in-vitro C/C=C/CC(=O)N(C)[C@H](C)Cc1cc(C)ccn1 55052622 WZBZWYVJUMVZDO-URWSZGRFSA-N 246.354 2.746 0 50 BFAA COc1ccccc1[C@H](C)NC(=O)C(C)(C)C 58266895 HJGQWBNHCIMIMH-JTQLQIEISA-N 235.327 2.919 0 50 BFAA CCCCc1nncn1-c1cccc(C(C)=O)c1 67713891 DPPBOZSHIKBCLS-UHFFFAOYSA-N 243.310 2.813 0 50 BFAA Cc1ccc(OCCNC(=O)C(C)(C)C)c(C)c1 71376201 ZIJHOQMTNXZCIG-UHFFFAOYSA-N 249.354 2.845 0 50 BFAA CN1CC[C@H](c2ccc(Br)cc2)C1 115000061 OCGSYMRQRAOKEG-JTQLQIEISA-N 240.144 2.868 0 50 BFAA in-vitro C[C@@H]1CC[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2C1 239338674 KXMYNLHMKBLLLU-RTXFEEFZSA-N 243.306 2.612 0 50 BFAA COCc1nc(-c2scc3c2CCCC3)n[nH]1 584896024 ONGUEWYCNCDMPR-UHFFFAOYSA-N 249.339 2.558 0 50 BFAA COCC[C@@H](C)NCc1cc2ccccc2n1C 585118080 AORVJBAMMOXPBR-GFCCVEGCSA-N 246.354 2.693 0 50 BFAA O=C(O)c1c(-c2ccco2)noc1C(F)(F)F 675057519 IAPRTPKDJDXGHJ-UHFFFAOYSA-N 247.128 2.652 0 50 BFAA Cc1cnccc1-c1ccc2c(c1)CC[C@H](N)C2 935619278 VENGEAMMRZWFLE-HNNXBMFYSA-N 238.334 2.873 0 50 BFAA Cc1ccc([C@H](NC(N)=O)c2ccccc2)cc1 437187 VSCGYFLHIVGWJZ-CQSZACIVSA-N 240.306 2.753 0 50 BFAA OCc1nc(-c2ccc(Cl)cc2)cs1 1042835 UICGABWUJKMBEN-UHFFFAOYSA-N 225.700 2.956 0 50 BFAA in-vitro Nc1ccccc1C(=O)NCCC1=CCCCC1 2872345 VUVCDDVYWNXVJC-UHFFFAOYSA-N 244.338 2.889 0 50 BFAA COc1cc(C(=O)O)ccc1C(C)(C)C 12471089 CSJQLIMNCLFPLZ-UHFFFAOYSA-N 208.257 2.691 0 50 BFAA in-vitro OC[C@@H]1CCCCN1Cc1ccccc1Cl 16514158 HUSSNDHWKHHJRC-LBPRGKRZSA-N 239.746 2.687 0 50 BFAA Ic1ccc2cc[nH]c2c1 42689367 UYFYWUXBZHYQRM-UHFFFAOYSA-N 243.047 2.773 0 50 BFAA Nc1ccc(-c2ccc(N)cc2F)c(F)c1 62721763 LSJAPRRUOIMQSN-UHFFFAOYSA-N 220.222 2.796 0 50 BFAA in-vitro CCCOc1cc(Cl)cnc1OC 65337501 NEUJOCRUDRDKGS-UHFFFAOYSA-N 201.653 2.532 0 50 BFAA in-vitro CN(C[C@@H]1CO1)c1cccc2ccccc12 141540003 JEHHSIVTFHUPAN-GFCCVEGCSA-N 213.280 2.675 0 50 BFAA C[C@@H](NCCOCC1CCC1)c1cccc(O)c1 253431702 SXWNKXUSXHTGOB-GFCCVEGCSA-N 249.354 2.860 0 50 BFAA CS[C@@H]1CCN(C(=O)c2ccc(Cl)o2)C1 292590360 VAKOBWTZQMYRPY-SSDOTTSWSA-N 245.731 2.511 0 50 BFAA C1COC[C@@H](N[C@@H]2CCCC23CCCC3)C1 328061253 BNGBAEXONFHZLQ-QWHCGFSZSA-N 223.360 2.868 0 50 BFAA O=C(C[C@@H]1CC1(F)F)NC1(C2CCCC2)CC1 534661862 GYTFIYQAJIGCLK-SNVBAGLBSA-N 243.297 2.871 0 50 BFAA C[C@H]1CC[C@H](n2cc(-c3ccccn3)nn2)C1 585124323 YUGMKHHONNQGRX-QWRGUYRKSA-N 228.299 2.701 0 50 BFAA C=CC(=O)N1CC[C@@H](c2csc(C)c2)C1 888098867 UUMNKNJDDVBLRK-SNVBAGLBSA-N 221.325 2.558 0 50 BFAA CCn1nc(C)cc1-c1cccc2nsnc12 952993474 YGUYUZAQRUXAQF-UHFFFAOYSA-N 244.323 2.883 0 50 BFAA O=C(O)[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1c1ccc(F)cc1 1775965107 DHRFICORGRNPPF-DDHJBXDOSA-N 220.243 2.650 0 50 BFAA C=CC(=O)N(c1cccc(C)c1)C1CCOCC1 1776007300 TUEPINGCFXQHCS-UHFFFAOYSA-N 245.322 2.693 0 50 BFAA O=C1CCc2ccccc2CN1CC1CCC1 2356151910 GIXKBCZSPOWOLA-UHFFFAOYSA-N 229.323 2.762 0 50 BFAA Cc1nc(-c2ccccc2CO)nc(C)c1C 2356161487 XLDYESJAQLGFDW-UHFFFAOYSA-N 228.295 2.561 0 50 BFAA Cc1cccc(OCCCn2ccnc2)c1 2493522 UOZNGQMEJNZLKG-UHFFFAOYSA-N 216.284 2.661 0 50 BFAA CCOC(=O)[C@H]1C[C@H]1c1ccc(C)cc1 2549405 JWOBMCBGTXAJBG-RYUDHWBXSA-N 204.269 2.662 0 50 BFAA Cc1ccc(CC2CCNCC2)cc1F 2555448 GPCWMVSFZFNWSF-UHFFFAOYSA-N 207.292 2.676 0 50 BFAA in-vitro Cc1csc(NC(=O)c2ccc(C)o2)n1 2752963 WRSWMUSLLACWBL-UHFFFAOYSA-N 222.269 2.605 0 50 BFAA CC(C)[C@H]1CC[C@H](C)C[C@@H]1OCC(=O)O 4521656 CILPHQCEVYJUDN-AXFHLTTASA-N 214.305 2.548 0 50 BFAA in-vitro Cc1ccc(CC(=O)n2cc(Cl)cn2)cc1 6726395 QIYSIHUKRFQDMO-UHFFFAOYSA-N 234.686 2.728 0 50 BFAA COc1cc(/C=C/[N+](=O)[O-])cc(Cl)c1OC 25725947 AYULBTLOYLJHSB-ONEGZZNKSA-N 243.646 2.605 0 50 BFAA O=[S@](c1ccccc1)C1(Cl)CC1 38234937 SOZLZFHVVDEWNB-LBPRGKRZSA-N 200.690 2.523 0 50 BFAA in-vitro OCc1cccc(Cl)c1Br 95642847 ZXQXFGIIUDAGJU-UHFFFAOYSA-N 221.481 2.595 0 50 BFAA in-vitro CC(C)c1nnc(NC(=O)[C@H]2CC2(C)C)s1 119477358 PSEOIUMUVIDAMJ-SSDOTTSWSA-N 239.344 2.646 0 50 BFAA FC1(Cc2ccc(Cl)cc2)CCNCC1 163268735 GHYRYXVEZLRPHC-UHFFFAOYSA-N 227.710 2.974 0 50 BFAA C[C@H](O)C[C@H](C)CNC[C@@H]1CCC[C@@H](C)C1 195547951 UFEFJKVUUPTTKU-ZOBORPQBSA-N 227.392 2.809 0 50 BFAA Fc1cc(C(F)(F)F)ccc1[C@@H]1CCNC1 212916499 CDNBHJWSAGHHFC-SSDOTTSWSA-N 233.208 2.921 0 50 BFAA O=C(NC[C@H]1CCCC1(F)F)C1CC=CC1 334531835 GGOFCAQZINDSJW-SNVBAGLBSA-N 229.270 2.504 0 50 BFAA C[C@H]1CCN(c2ncnc3[nH]ccc23)CC1(C)C 353283359 UJOLVRWLOSNAFQ-JTQLQIEISA-N 244.342 2.830 0 50 BFAA CC(C)n1cc(NC(=O)[C@H]2CC23CCCC3)cn1 567439091 SWYNVXYNRODYOD-GFCCVEGCSA-N 247.342 2.983 0 50 BFAA COC(=O)c1c(F)ccc(F)c1C(F)(F)F 575713605 GAIGZUMXJNGGIJ-UHFFFAOYSA-N 240.127 2.770 0 50 BFAA Cc1cnc(CN2CCCCCCC2)cn1 749436630 OBHSUWDRXCDPHY-UHFFFAOYSA-N 219.332 2.551 0 50 BFAA Cc1cncc(NC(=O)N2C[C@@H]3CCCC[C@@H]32)c1 1857527152 QMRGTQBPVQILOU-AAEUAGOBSA-N 245.326 2.796 0 50 BFAA CN(C)c1ccc(C(=O)c2ccccc2)cc1 173350 BEUGBYXJXMVRFO-UHFFFAOYSA-N 225.291 2.984 0 50 BFAA CCC1CCC(N2CCCC[C@H]2CO)CC1 213064 IUYSSHDAJPOMTJ-RUXDESIVSA-N 225.376 2.802 0 50 BFAA CCC1=[N+]([O-])[C@@H](c2ccccc2)N(O)C1(C)C 300054 SQIPUOGHUWXIRH-GFCCVEGCSA-N 234.299 2.530 0 50 BFAA CCOc1ccc2c(C)cc(=O)oc2c1C(C)=O 485466 MBUODFNPQUYYPP-UHFFFAOYSA-N 246.262 2.703 0 50 BFAA biogenic CC(C)NC(=O)[C@H](C)Oc1cccc(Cl)c1 579791 OFNZPEMCADZALP-VIFPVBQESA-N 241.718 2.632 0 50 BFAA NCc1ccc(SC(F)(F)F)cc1 2556421 LACURGWEZCFLBO-UHFFFAOYSA-N 207.220 2.757 0 50 BFAA in-vitro COc1ccc2c(=S)[nH]c(C)nc2c1 15781091 XZDBLENMVALAHT-UHFFFAOYSA-N 206.270 2.609 0 50 BFAA CCn1ncc2[nH]c([C@H]3CC=CCC3)nc21 20455529 NVOPKYOZEDPKMN-VIFPVBQESA-N 216.288 2.603 0 50 BFAA CCCCNC(=O)[C@H](C)Oc1ccccc1C 20487827 NRUCLARIMPFLGQ-LBPRGKRZSA-N 235.327 2.679 0 50 BFAA COc1ccc(-c2cc[nH]c(=S)n2)cc1OC 26511192 PVKFJIMDQZULSV-UHFFFAOYSA-N 248.307 2.823 0 50 BFAA Fc1c(Cl)nc(Cl)nc1Cl 38540093 XXBZSPPWTVRISV-UHFFFAOYSA-N 201.415 2.576 0 50 BFAA CCNC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 44998538 YCCQLILCCFVQGB-NSHDSACASA-N 249.354 2.888 0 50 BFAA COc1ccc(F)c(-c2ccccn2)c1 65456520 XZYPNBRHPRDKJF-UHFFFAOYSA-N 203.216 2.896 0 50 BFAA CCOc1cc(Br)ccc1F 85223415 QNMCMYYZINDARU-UHFFFAOYSA-N 219.053 2.987 0 50 BFAA in-vitro O=C1CC(C(F)(F)F)=Nc2ccccc2N1 100036770 AVYUTTGUWVFRQS-UHFFFAOYSA-N 228.173 2.664 0 50 BFAA CN(CC1CCCC1)C(=O)[C@@H]1CC=CCC1 126735756 JMLXBFUNLVYNKL-CYBMUJFWSA-N 221.344 2.991 0 50 BFAA Cc1cccc2c1ncn1nc(C3CCC3)nc21 170614852 FLLMCMQQXOBHHS-UHFFFAOYSA-N 238.294 2.853 0 50 BFAA C[C@@H]1CCC[C@@H](CCN2CCC[C@H]2C(=O)O)C1 237580625 OMAFQQGOPKTRBJ-AGIUHOORSA-N 239.359 2.752 0 50 BFAA C[C@H](O)C[C@H](C)CNC[C@H]1CCC[C@H](C)C1 252487184 UFEFJKVUUPTTKU-XUXIUFHCSA-N 227.392 2.809 0 50 BFAA Cc1[nH]c2ccccc2c1CC(F)(F)C(=O)O 259160772 NRKNZSABTJKKAG-UHFFFAOYSA-N 239.221 2.739 0 50 BFAA O[C@H](C[C@H]1CCCN1CC1CC1)c1ccco1 268641316 DPLWAIZFJUTRQC-CHWSQXEVSA-N 235.327 2.578 0 50 BFAA CCc1cc(NC(=O)[C@@]2(C)CCOC2)ccc1C 347971022 WRDOCCALIQYITN-HNNXBMFYSA-N 247.338 2.923 0 50 BFAA CC/C=C/CCn1nc(Br)nc1C 408525130 MARZRFLNXLVNBM-SNAWJCMRSA-N 244.136 2.705 0 50 BFAA Cc1nn2cccnc2c1-c1ccsc1 1775997302 FVTRJRWECYXPIG-UHFFFAOYSA-N 215.281 2.766 0 50 BFAA Oc1ccc(-c2nccn2C2CCC2)cc1 1875251588 XREGNPMLLRJPQU-UHFFFAOYSA-N 214.268 2.981 0 50 BFAA CC(C)c1ccc([C@@H](O)c2nccn2C)cc1 170007 KTFZKPOSQZUFQB-CYBMUJFWSA-N 230.311 2.625 0 50 BFAA Cc1ccc(O)c(CCc2ccc(O)cc2)n1 186296 OQSFPJGKCRSQOW-UHFFFAOYSA-N 229.279 2.586 0 50 BFAA biogenic S=C(NCc1cccnc1)Nc1ccccc1 312945 QFHALJZCNJGTFQ-UHFFFAOYSA-N 243.335 2.568 0 50 BFAA CSc1nccc(-c2ccccc2)n1 331534 LHQHZLLOGPDNGV-UHFFFAOYSA-N 202.282 2.866 0 50 BFAA in-vitro O=CNc1ccc(Br)cc1Cl 398703 QOWVYRXSLIGKGS-UHFFFAOYSA-N 234.480 2.671 0 50 BFAA O=c1ccccn1CCOc1ccccc1Cl 474217 RTPOVGOQHQTNAD-UHFFFAOYSA-N 249.697 2.581 0 50 BFAA Cc1nc(N)cc(-c2ccc(Cl)cc2)n1 1736163 ZNUJYESEQYWBKX-UHFFFAOYSA-N 219.675 2.688 0 50 BFAA in-vitro CN(CCOC(=O)c1ccccc1)C(C)(C)C 2925718 PLUQEFSBLYMBJY-UHFFFAOYSA-N 235.327 2.574 0 50 BFAA COc1ccc(Cl)cc1CNC(C)C 10436224 GYCWYXMKEAULSG-UHFFFAOYSA-N 213.708 2.847 0 50 BFAA CC(C)C[C@]1(C)NC(=O)c2ccccc2N1 28187936 GLTLSRADCWBWDK-ZDUSSCGKSA-N 218.300 2.604 0 50 BFAA Cc1cc(C)nc(NCCc2cccs2)n1 35206302 ALGQPNQGBDQJBH-UHFFFAOYSA-N 233.340 2.810 0 50 BFAA COC(=O)[C@H]1CCCCC2(CCCCC2)C1=O 43214840 MJZRPNNBPWHNIA-NSHDSACASA-N 238.327 2.869 0 50 BFAA Cc1ccc2nc(-c3nc(C(C)C)no3)cn2c1 95370406 GDRWEVHWQLTCHH-UHFFFAOYSA-N 242.282 2.816 0 50 BFAA CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@H]2C(=O)C(F)(F)F 100041413 ISLOIHOAZDSEAJ-MVKOHCKWSA-N 248.244 2.759 0 50 BFAA CC1(C)N=C(c2ccccc2)C(C)(C)N1[O] 100074209 LIGLEHMSIMQEJW-UHFFFAOYSA-N 217.292 2.652 0 50 BFAA CC(C)(C)OC(=O)Nc1nc(Cl)ns1 116421769 UKOAFAZCVLVBTK-UHFFFAOYSA-N 235.696 2.539 0 50 BFAA COc1ncc(C(F)(F)F)cc1[Si](C)(C)C 196648493 PTKZSMJUUGRURY-UHFFFAOYSA-N 249.308 2.654 0 50 BFAA C[C@@H]1C[C@@H]([C@@H](F)C(=O)O)CC(C)(C)C1 224637165 JEGHILZSWHCDQW-IWSPIJDZSA-N 202.269 2.872 0 50 BFAA Fc1ccc(Br)c(OC(F)F)n1 263623869 LKSZEUDGZNONRW-UHFFFAOYSA-N 241.994 2.585 0 50 BFAA Cc1cc(-c2cnn([C@@H]3CCCCO3)c2)ccn1 426658315 JQIWKIYONNHAQG-AWEZNQCLSA-N 243.310 2.953 0 50 BFAA CC[C@H](C(=O)NCC1(C(C)C)CC1)n1cccc1 534658830 XZXJYLIBXYRIEX-CYBMUJFWSA-N 248.370 2.992 0 50 BFAA C=CC(=O)Nc1nc(-c2cccs2)cs1 1775997616 MLMVHPZCFGSWIV-UHFFFAOYSA-N 236.321 2.996 0 50 BFAA c1[nH]nc2c1CC[C@@]21CCCN(C2CCCC2)C1 1800411517 KXYRNIPQDNRHCT-OAHLLOKOSA-N 245.370 2.632 0 50 BFAA O=C(O)c1ccc(-c2nc3ccccc3[nH]2)cc1 226015 UMZBLZRCSSUXQR-UHFFFAOYSA-N 238.246 2.928 0 50 BFAA O=C(Oc1ccc(F)cc1)N1CCCCC1 472711 DXTPIMILZQNZKA-UHFFFAOYSA-N 223.247 2.810 0 50 BFAA CCOCC(=O)Nc1ccc(C)c(Cl)c1 2069469 KJAFRBKCPFHYHF-UHFFFAOYSA-N 227.691 2.623 0 50 BFAA COC(=O)[C@@H]1[C@@H](C=C(Cl)Cl)C1(C)C 2584613 QJOOIMSFFIUFKX-VDTYLAMSSA-N 223.099 2.751 0 50 BFAA in-vitro CC1(C)CO[P@](=O)(O)O[C@@H]1c1ccccc1 4521432 PSZSDCWNBXVDFG-SNVBAGLBSA-N 242.211 2.901 0 50 BFAA in-vitro CCCc1nc2ccccc2n1[C@H](C)C(=O)O 4941895 OFYZINWGFMTKOQ-SECBINFHSA-N 232.283 2.634 0 50 BFAA in-vitro CCOC(=O)[C@@H]1CCc2[nH]c3ccccc3c2C1 5575355 VRBGKURGKHUBLB-SNVBAGLBSA-N 243.306 2.836 0 50 BFAA COC(C)(C)CCC[C@@H](C)COC(C)=O 12383409 LBMUSVGZWYAWPE-SNVBAGLBSA-N 216.321 2.781 0 50 BFAA C[C@H]1C[C@@H](C)CN(C(=O)Cc2ccc(F)cc2)C1 12492278 REQIKLMUMQHHKZ-TXEJJXNPSA-N 249.329 2.873 0 50 BFAA COc1c(N)cc(Cl)cc1Br 12505264 CAYJPMAXJIWLBZ-UHFFFAOYSA-N 236.496 2.693 0 50 BFAA C[C@@H](NC(=O)NC1CCCCC1)c1ccccn1 13744689 FYIIUYIWILOZRM-LLVKDONJSA-N 247.342 2.775 0 50 BFAA Clc1ccc(CN2CCOCC2)cc1Cl 19634421 OEEFIWRHPLVZMX-UHFFFAOYSA-N 246.137 2.826 0 50 BFAA Cc1ccc(C)c2ncc(C(=O)O)cc12 32099495 MXKOVYWLTMCDMM-UHFFFAOYSA-N 201.225 2.550 0 50 BFAA in-vitro O=C(O)CCc1ccc(Br)cc1F 37116239 FLAFQUSRGQNQFJ-UHFFFAOYSA-N 247.063 2.605 0 50 BFAA in-vitro COc1cc2c(c3ccccc13)C(=O)C=CC2=O 38590391 XMMHVGOFNJVTGY-UHFFFAOYSA-N 238.242 2.784 0 50 BFAA CCc1cc(Br)cc(CC)n1 49587152 QAIRPCMWTLMPCW-UHFFFAOYSA-N 214.106 2.969 0 50 BFAA in-vitro COc1cccc(-c2cccc(C(=O)O)c2)c1O 65336984 WSFDKIGDXYXIEV-UHFFFAOYSA-N 244.246 2.766 0 50 BFAA in-vitro O=C(NCC1CCCCC1)C1CCCC1 68324578 GIPZVASWJWIPGF-UHFFFAOYSA-N 209.333 2.873 0 50 BFAA Cc1cc(N)cc(Cl)c1Br 114704006 RDCLNHDXIKGVHL-UHFFFAOYSA-N 220.497 2.993 0 50 BFAA C1CCCC(CN2CCN(C3CC3)CC2)CC1 127947417 FCSXWRACRDSUSE-UHFFFAOYSA-N 236.403 2.737 0 50 BFAA Cc1cc(Br)cc2c1CCC2=O 148483685 QJSLUGAXLICGSK-UHFFFAOYSA-N 225.085 2.886 0 50 BFAA FC(F)(F)c1n[nH]c(C2CC2)c1Cl 165739396 OKKKJFMAJJOUNU-UHFFFAOYSA-N 210.586 2.959 0 50 BFAA CCCn1nc(C)c(CNc2ccon2)c1C 167798109 UPEDZVCHZGBPBX-UHFFFAOYSA-N 234.303 2.510 0 50 BFAA CC[C@@H]1CCc2ccccc2N1C(C)=O 177662916 QNZIXXFVTHOLMV-GFCCVEGCSA-N 203.285 2.764 0 50 BFAA C[C@H]1CC[C@@H](O)[C@]2(C)CC[C@H](C(C)(C)O)C=C12 197396103 YNBRPGOINKTYTG-HTTKSJEASA-N 238.371 2.891 0 50 BFAA biogenic Cc1n[nH]cc1CN[C@@H]1CCC[C@@H](C)[C@H]1C 225329218 PTWDBOJHAJNARO-GIPNMCIBSA-N 221.348 2.632 0 50 BFAA CC(C)=CCN1CC[C@@H](C)[C@H](n2ccnc2)C1 245611766 OFAMWEALWZLOLF-ZIAGYGMSSA-N 233.359 2.732 0 50 BFAA CCc1occ(C(F)(F)F)c1C(=O)O 721855708 SNWPUSQFIVOTNK-UHFFFAOYSA-N 208.135 2.559 0 50 BFAA CCCCn1nc(CC)nc1-c1cnn(CC)c1 822888873 OWWIWSIHURROMO-UHFFFAOYSA-N 247.346 2.524 0 50 BFAA O[C@@H]1CCC[C@]12CCCN(CCCCCF)C2 1704304099 KPKDYRNSGACXCS-ZIAGYGMSSA-N 243.366 2.753 0 50 BFAA C=CC(=O)Nc1cc(C)ccc1OC(F)F 1875367394 GSFMVSVLIMELAM-UHFFFAOYSA-N 227.210 2.721 0 50 BFAA c1cnc2c(-c3cnc4cnccn34)cccc2c1 2356136428 UNTFFPLEFVXZCZ-UHFFFAOYSA-N 246.273 2.945 0 50 BFAA Cc1[nH]c2c(C(F)(F)F)cccc2c1CCN 129245 SIWMMFHMHBTSQJ-UHFFFAOYSA-N 242.244 2.996 0 50 BFAA O=C(CCCOc1ccccc1)NC1CCCC1 1779416 SXMRAVWFAFMYQG-UHFFFAOYSA-N 247.338 2.904 0 50 BFAA Nc1nc2ccccc2nc1-c1ccccc1 3133978 ABTZHDQWMUXIFW-UHFFFAOYSA-N 221.263 2.879 0 50 BFAA CN1C(=O)O[C@]2(C)CCc3ccccc3[C@]12C 3958385 CTDWXPWFRVKRSF-KGLIPLIRSA-N 231.295 2.689 0 50 BFAA O=C(NCc1ccccc1)c1ccc(F)cc1F 6529538 UVJXZLAXOGICPM-UHFFFAOYSA-N 247.244 2.895 0 50 BFAA Cc1ccc(CN2CCC[C@H](CO)C2)c(C)c1 23114935 NLFSFYBJGABOMP-AWEZNQCLSA-N 233.355 2.508 0 50 BFAA CC(C)CNC(=O)CCc1ccc(F)cc1 60878681 WMHDKYITRJAVBF-UHFFFAOYSA-N 223.291 2.531 0 50 BFAA CCC(=O)N[C@@H](C)COc1ccc(C)c(C)c1 72117774 KQIQIZBWUFCQML-LBPRGKRZSA-N 235.327 2.597 0 50 BFAA CC[S@@](=O)c1cccc(Br)c1 74937760 KTAYYVGVOVUOOL-NSHDSACASA-N 233.130 2.577 0 50 BFAA in-vitro Cn1cc(-c2cc(Cl)nc(Cl)c2)cn1 115978453 JVAOFUFIYHCAJW-UHFFFAOYSA-N 228.082 2.789 0 50 BFAA O=c1sc2c(n1Cc1ccccc1)CCCC2 223519067 MKRWTWZTQUXPAU-UHFFFAOYSA-N 245.347 2.837 0 50 BFAA Cc1ccccc1CN1CCCN2CCC[C@H]2C1 242147524 WSKPHIXHCONALU-INIZCTEOSA-N 244.382 2.665 0 50 BFAA N[C@H](c1ccnc(C(F)(F)F)c1)C1CC1 255189298 OZPWDPKKWPNWSI-VIFPVBQESA-N 216.206 2.510 0 50 BFAA C1C[C@@H]2C[C@@H](NC3CCC4(CC3)CC4)CCN2C1 335779396 SPVYLTYLPAOITA-LSDHHAIUSA-N 248.414 2.926 0 50 BFAA C[C@H]1CCCN(c2ncnc3[nH]ccc23)CC1 339131271 BXGCKOYEWXJHDH-JTQLQIEISA-N 230.315 2.584 0 50 BFAA CC1(C)CCCN(c2ncnc3[nH]ccc23)CC1 361110524 QGOVKKPWXIOIFI-UHFFFAOYSA-N 244.342 2.974 0 50 BFAA Cc1ccccc1O[C@H](c1nc[nH]n1)C(C)C 820711298 VHLPMKWCQVXQQV-LBPRGKRZSA-N 231.299 2.889 0 50 BFAA Fc1ccc(-c2ccnnc2)c(OC(F)F)c1 1242055762 KXABXBRDHWULBV-UHFFFAOYSA-N 240.184 2.884 0 50 BFAA c1ccc2c(c1)CCO[C@@H]2CNC1CC2(CC2)C1 1615613693 JPYXKCGKLVRUIF-OAHLLOKOSA-N 243.350 2.833 0 50 BFAA c1cc(-c2cnc3cnccn23)c2ccncc2c1 2100543818 YZQOCIQUYXTJAQ-UHFFFAOYSA-N 246.273 2.945 0 50 BFAA O=C(c1ccc2ncccc2c1Cl)N1CCC1 2325815826 RGMAEUJZIQCZNH-UHFFFAOYSA-N 246.697 2.734 0 50 BFAA COc1cc(F)cc(-c2cnc3cnccn23)c1 2356144020 GVPSCRXRVNCULL-UHFFFAOYSA-N 243.241 2.544 0 50 BFAA COc1ccc(/C=C/C(=O)O)c2ccccc12 153697 BDWSMCXLZKKQFV-VQHVLOKHSA-N 228.247 2.946 0 50 BFAA in-vitro C[C@@H]1CC[C@H](NCc2ccc3c(c2)OCO3)C1 214030 XIPYONXASDNYLO-PWSUYJOCSA-N 233.311 2.694 0 50 BFAA CN(C)C(=S)SCc1ccccc1 389784 HLZBIKHKXIJIHX-UHFFFAOYSA-N 211.355 2.766 0 50 BFAA O=C1CCc2ccc(Br)cc21 1438946 SEQHEDQNODAFIU-UHFFFAOYSA-N 211.058 2.578 0 50 BFAA in-vitro CC(C)CCNCC1OCc2ccccc2CO1 2362643 XVBDDHFBYWIZGS-UHFFFAOYSA-N 249.354 2.695 0 50 BFAA Fc1ccc(C[C@@H]2NCCn3cccc32)cc1 3683717 PCKNAJCLRWOEFQ-ZDUSSCGKSA-N 230.286 2.514 0 50 BFAA COc1ccc([C@H]2CCCCN2)cc1C 4234832 ZOWUNECZKOZILX-GFCCVEGCSA-N 205.301 2.818 0 50 BFAA in-vitro Cc1ccc([C@@H](N)c2ccc(O)cc2)cc1 5746613 VBQFKQVMAVFLRF-CQSZACIVSA-N 213.280 2.749 0 50 BFAA Cc1nc(-c2cccs2)ccc1C(=O)O 7779455 KNFFJSOIYVQTCG-UHFFFAOYSA-N 219.265 2.817 0 50 BFAA in-vitro Cc1nc(NC(=O)c2cccnc2)ccc1Cl 10119524 NYQTVBFHMCGIDL-UHFFFAOYSA-N 247.685 2.691 0 50 BFAA COc1cccc(CN2CCCCC2)c1 14193497 DEASGFUXKKZMEV-UHFFFAOYSA-N 205.301 2.681 0 50 BFAA O[C@H](CNCc1cccs1)c1ccccc1 19735702 QZCQMSVDIPEADQ-CYBMUJFWSA-N 233.336 2.571 0 50 BFAA O=C(O)c1ccnc(-c2ccsc2)c1 34924631 BOZGVVVDIQBTDY-UHFFFAOYSA-N 205.238 2.508 0 50 BFAA in-vitro c1ccc(CNCCOCc2ccccc2)cc1 53543680 FOZFIVVHHMNJMK-UHFFFAOYSA-N 241.334 2.993 0 50 BFAA O=C(O)c1cc2nccc(Cl)c2s1 71788793 OACQHLMJJRQAPO-UHFFFAOYSA-N 213.645 2.648 0 50 BFAA in-vitro COC(=O)c1ccc(-c2cccc(F)c2)nc1 97757083 ZKTQVBLPOLFGED-UHFFFAOYSA-N 231.226 2.674 0 50 BFAA CC1=C[C@H](C)[C@@]2(CO)CO[C@@H](C(C)C)[C@H]1[C@H]2C 105364839 BNAPJYMSXNSYQF-VYDRJRHOSA-N 238.371 2.868 0 50 BFAA biogenic Cc1cccc(NC(=O)CN2[C@H](C)CC[C@H]2C)c1 120131490 JUXLVTRBXCBTHN-CHWSQXEVSA-N 246.354 2.806 0 50 BFAA O=Cc1c(F)cccc1N1CCCC(F)(F)C1 169725265 YYFJZPMISCEZIE-UHFFFAOYSA-N 243.228 2.874 0 50 BFAA Cc1cc(O)ccc1NC(=O)Nc1nccs1 170604036 HUSYXCGORJWCPC-UHFFFAOYSA-N 249.295 2.801 0 50 BFAA CNc1ccc(Br)cc1C(C)=O 181956026 GHFGPWSKNIEDHB-UHFFFAOYSA-N 228.089 2.693 0 50 BFAA CC(C)(C)c1cnc(Cl)c(C(=O)O)c1 259236124 DNKUBVCBUCQSMY-UHFFFAOYSA-N 213.664 2.731 0 50 BFAA Cc1csc(CN2CCC[C@@H]2C2CC2)n1 363616217 CSLLGZRCOITXHD-LLVKDONJSA-N 222.357 2.826 0 50 BFAA CC[C@H](C)NCc1cncc(C(F)(F)F)c1 725244252 QBSJXCSAFYCWRM-QMMMGPOBSA-N 232.249 2.989 0 50 BFAA CN(C)c1ccc(C(=S)N2CCCCC2)cc1 63325 NXLJWTIDBNNMJC-UHFFFAOYSA-N 248.395 2.914 0 50 BFAA O=C1O[C@H](c2ccccc2)c2ccccc21 133391 SQFMIHCARVMICF-CYBMUJFWSA-N 210.232 2.946 0 50 BFAA biogenic CCOC(=O)c1ccccc1NC(=O)C=C(C)C 145624 OEMJAERIXJTMSL-UHFFFAOYSA-N 247.294 2.768 0 50 BFAA Cc1ccnc(Sc2ncccc2O)c1 335066 BMYCAYOVNPTJBQ-UHFFFAOYSA-N 218.281 2.642 0 50 BFAA COC(=O)[C@H](C)Cc1c[nH]c2ccccc12 336826 POHSJYQQRZRBKR-SECBINFHSA-N 217.268 2.520 0 50 BFAA biogenic CC/C=C/C[C@H]1C(=O)CC[C@@H]1CC(=O)OC 1850002 GEWDNTWNSAZUDX-XKFHPXPTSA-N 224.300 2.501 0 50 BFAA endogenous,in-vitro CN[C@@H](C)C/C=C/c1cncc(OC(C)C)c1 3961864 RPCVIAXDAUMJJP-PZBABLGHSA-N 234.343 2.880 0 50 BFAA investigational O=S(=O)(O)N(c1ccccc1)c1ccccc1 6096728 PXFORDPOPVGNJL-UHFFFAOYSA-N 249.291 2.628 0 50 BFAA Cc1ccc(-c2[nH]c(=N)sc2CN(C)C)cc1 19722558 KWYWXJMTLIFSKE-UHFFFAOYSA-N 247.367 2.593 0 50 BFAA Cc1ccc2c(/C=C/C(=O)O)c[nH]c2c1 20269230 UCCFXXRAQYXSLZ-HWKANZROSA-N 201.225 2.574 0 50 BFAA in-vitro CC(C)NCc1nc2ccc(Cl)cc2[nH]1 22122068 DPOZXOAZEXVQSU-UHFFFAOYSA-N 223.707 2.714 0 50 BFAA COc1ccc(OC)c(-c2cc(C)cnc2N)c1 70405103 MCTMOGRQWNPBNA-UHFFFAOYSA-N 244.294 2.656 0 50 BFAA CC[C@H](C)NC(=O)Cc1ccc(C)cc1C 72436969 RABHIUMYCHIGEE-LBPRGKRZSA-N 219.328 2.761 0 50 BFAA CC(C)C(C)(C)CNCc1cncs1 189469590 CDYWOOZSVUYTGB-UHFFFAOYSA-N 212.362 2.915 0 50 BFAA CCCc1ccc(CN(C)Cc2ncc(C)[nH]2)o1 216203753 FVHUSDQJUKWRCZ-UHFFFAOYSA-N 247.342 2.896 0 50 BFAA CCOC(=O)[C@@H]1[C@H]2C=C3CCc4cccc(c43)[C@H]21 229863927 LWENPOAPZKOYQS-NWANDNLSSA-N 240.302 2.923 0 50 BFAA Cc1ccnc2c(Br)ccnc12 230561882 RCWVZPCMTYJNGG-UHFFFAOYSA-N 223.073 2.701 0 50 BFAA in-vitro Oc1nccc(Br)c1C(F)(F)F 238709728 GZQBCTFWKLHESB-UHFFFAOYSA-N 241.994 2.569 0 50 BFAA COC(=O)Cc1cc(Cl)c(Cl)cc1F 263624119 NOOLKNBJIAUNGL-UHFFFAOYSA-N 237.057 2.848 0 50 BFAA O=C(c1ccco1)N1CCCC[C@H]1C(F)F 334803393 MVRXVTJNEPSVRI-QMMMGPOBSA-N 229.226 2.539 0 50 BFAA CC(C)(C(=O)N[C@@H]1CC=CCC1)C(F)F 336439532 DSYYBPAFFZFYLB-MRVPVSSYSA-N 217.259 2.503 0 50 BFAA Cc1ccc2n[nH]cc2c1[C@@H]1CC[C@@H](C)CN1 757211937 KXPYYEOFEXIKDC-RNCFNFMXSA-N 229.327 2.932 0 50 BFAA COc1cccc(OC)c1-c1ccncc1F 1239672244 VCWAFQBCOKQIQC-UHFFFAOYSA-N 233.242 2.905 0 50 BFAA C[C@H](NC(=O)c1cccc(N)c1)c1ccccc1 41953 ZNBFXLWERBRCIT-NSHDSACASA-N 240.306 2.760 0 50 BFAA CCC(CC)C(=O)NCc1ccccc1 362251 DAXSZZIZMJPAIB-UHFFFAOYSA-N 205.301 2.739 0 50 BFAA O=C(NC1CC1)c1cc(Cl)ccc1Cl 476193 GVNGNFRWLJCEGR-UHFFFAOYSA-N 230.094 2.886 0 50 BFAA C[C@@H](CC(=O)N1CCCC1)c1ccccc1 1457003 WKIILLABOBDSEP-LBPRGKRZSA-N 217.312 2.803 0 50 BFAA O=C(O)c1c(F)c(F)c(F)c(F)c1Cl 1583746 FTLLRNYFQGXOTN-UHFFFAOYSA-N 228.528 2.595 0 50 BFAA in-vitro C/C=C/C(=O)Nc1cc(C)ccc1OC 2167669 GMEPBVJSGBNAPH-SNAWJCMRSA-N 205.257 2.518 0 50 BFAA O[C@@H](CN1CCCC1)C12CC3CC(CC(C3)C1)C2 4257059 FLRBVQQTUVURMA-DQGBIZLVSA-N 249.398 2.660 0 50 BFAA CCN(CC)C(=O)Nc1cc(F)cc(F)c1 4740685 HMVYNJHAQZJQOV-UHFFFAOYSA-N 228.242 2.839 0 50 BFAA Cc1cc(C(=O)O)ccc1NCc1ccccn1 4935142 WJQSUUZGSQJEQV-UHFFFAOYSA-N 242.278 2.700 0 50 BFAA O=c1oc2cc(O)ccc2cc1-c1ccccn1 5741330 UEPYLHAXHCZLCA-UHFFFAOYSA-N 239.230 2.561 0 50 BFAA biogenic COc1cc2c(cc1OC)C(C)(C)CC2=O 5762113 KYEDLQFODOWDRO-UHFFFAOYSA-N 220.268 2.568 0 50 BFAA Cc1ccccc1CC(=O)Nc1nccs1 6730749 LBHZGAXCJUMJQU-UHFFFAOYSA-N 232.308 2.633 0 50 BFAA O=C(/N=c1\[nH]c2ccccc2s1)c1ccco1 6898994 IEHMTXRMAOBNOS-UHFFFAOYSA-N 244.275 2.564 0 50 BFAA Cc1ccc2c(C(=O)O)cc(C)nc2c1 9190776 ICCQYBHJLONXFL-UHFFFAOYSA-N 201.225 2.550 0 50 BFAA in-vitro CSc1ccc(-c2csc(=O)[nH]2)cc1 25757465 SZDBQEQTVAZKTM-UHFFFAOYSA-N 223.322 2.825 0 50 BFAA COc1ccc(OC)c2c1CC=C(Cl)C2 43214969 ZGOGQCCJSRAVOO-UHFFFAOYSA-N 224.687 2.925 0 50 BFAA Oc1cc(C(F)(F)F)cnc1Br 74934327 MOQSHFMHUSEYPV-UHFFFAOYSA-N 241.994 2.569 0 50 BFAA in-vitro Cc1ccc(-c2nc([C@@H]3CCOC3)no2)c(F)c1 96180837 IZUKXBLZXZGZTH-SECBINFHSA-N 248.257 2.688 0 50 BFAA CCN1CCN(CC2=CC[C@H]3C[C@H]2C3(C)C)CC1 100418925 BJJBVQAWVRUBKV-LSDHHAIUSA-N 248.414 2.616 0 50 BFAA CCCCCC(=O)CC(=O)C(F)(F)F 101020100 WTGJRAPUILKZRW-UHFFFAOYSA-N 210.195 2.657 0 50 BFAA Clc1cccc(C2(N[C@@H]3CCOC3)CC2)c1 134266597 PWKRAHSQCNEHOW-GFCCVEGCSA-N 237.730 2.708 0 50 BFAA C[C@@H]1CC[C@H](Cn2cnc3ccccc32)O1 188531651 HKFHXFVASNJRMQ-GHMZBOCLSA-N 216.284 2.604 0 50 BFAA C[C@@H]1CCCN(C[C@@H](O)c2ccc(F)cc2)C1 229754494 OJOCGLWPIUJXJR-BXUZGUMPSA-N 237.318 2.591 0 50 BFAA COC(=O)c1ccccc1-c1cncn1C(C)C 261115969 HGRTXAQLDMPIGI-UHFFFAOYSA-N 244.294 2.918 0 50 BFAA CCC[C@H](NCC)C(=O)c1ccc(OC)cc1 575598498 HUCVECBJRKKMRN-ZDUSSCGKSA-N 235.327 2.656 0 50 BFAA in-vitro FC(F)(F)c1ccc(C[n+]2ccccc2)o1 670430995 NXSMMHRFCIRYPP-UHFFFAOYSA-N 228.193 2.634 0 50 BFAA Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1 6787 LUKBXSAWLPMMSZ-OWOJBTEDSA-N 228.247 2.974 0 50 BFAA endogenous,world Cc1nnc(Nc2ccc(F)cc2)s1 88832 ZGXRAPSCFCDLMH-UHFFFAOYSA-N 209.249 2.729 0 50 BFAA in-vitro CC(C)n1c([C@@H](C)O)nc2ccccc21 210241 HCAAICKZPITSJW-SECBINFHSA-N 204.273 2.671 0 50 BFAA O=C1O[C@@H](Nc2ccccc2)c2ccccc21 434237 IURBFWKNFNSBQW-CYBMUJFWSA-N 225.247 2.968 0 50 BFAA Cc1ccc(CC(=O)Nc2cccnc2)cc1 466026 ZOYDVHXTTRUCKI-UHFFFAOYSA-N 226.279 2.571 0 50 BFAA Cc1c(O)ccc2c3c(c(=O)oc12)CC[C@@H](C)C3 616394 GOVCMCBRRHXKQX-MRVPVSSYSA-N 244.290 2.932 0 50 BFAA CCOC(=O)CC(=O)c1ccc2ccccc2c1 2380227 CMOYIKGRDXXXNU-UHFFFAOYSA-N 242.274 2.976 0 50 BFAA Clc1ncnc(Cl)c1Br 2558608 BKLHHTTZTSYHBV-UHFFFAOYSA-N 227.876 2.546 0 50 BFAA in-vitro Cc1cc(C(=O)NC2CCCC2)c(C)o1 2764374 OBLOCDHOYWMTJK-UHFFFAOYSA-N 207.273 2.569 0 50 BFAA Cc1ncn(C23CC4CC(CC(C4)C2)C3)n1 4031282 OQRLZJCTKYSSGD-UHFFFAOYSA-N 217.316 2.512 0 50 BFAA CN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O 5094652 IGXHINBGLNQNOR-PAUBHIBZSA-N 245.303 2.909 0 50 BFAA Cc1ccc(-c2nnc(S)n2C)cc1Cl 5730615 SSFULKQKWCUWBI-UHFFFAOYSA-N 239.731 2.733 0 50 BFAA Brc1cncnc1C1CCCC1 15021317 FKYAHCYSOLMPND-UHFFFAOYSA-N 227.105 2.897 0 50 BFAA in-vitro COc1ccc(C)cc1NC(=O)c1coc(C)n1 22538237 YGYYDLIGVYVMFO-UHFFFAOYSA-N 246.266 2.552 0 50 BFAA C[C@H]1Cc2cc(Br)ccc2O1 37176591 FEPPMMHYULGHKP-LURJTMIESA-N 213.074 2.773 0 50 BFAA in-vitro O=C1OCC[C@]23CC=CC[C@]12CCCC3 45028075 ITCACGSPBXVUJH-OLZOCXBDSA-N 206.285 2.830 0 50 BFAA c1ccc(N2CCN(Cc3ccoc3)CC2)cc1 55543558 JXUJXRYDQGBEHA-UHFFFAOYSA-N 242.322 2.602 0 50 BFAA COC(=O)C1(c2ccc(Cl)cc2)CCC1 66276422 LOXYXXQJXJRMDF-UHFFFAOYSA-N 224.687 2.935 0 50 BFAA C[C@@H](c1cccs1)N(C)C(=O)c1cc[nH]c1 68285395 FVJJJFJFFRVCTJ-VIFPVBQESA-N 234.324 2.909 0 50 BFAA Cc1cc(C(=O)O)n(-c2cccc(Cl)c2)n1 77606326 MVKFGYKGLXZAIV-UHFFFAOYSA-N 236.658 2.532 0 50 BFAA CC(C)C(=O)[C@H](C)C(=O)c1cccs1 112750690 DRMWZEWTKIYQGK-QMMMGPOBSA-N 210.298 2.792 0 50 BFAA COC(=O)[C@H]1CCN([C@@H](C)c2ccccc2)[C@H]1C 135779458 QVKPXSULPYUNBF-OBJOEFQTSA-N 247.338 2.631 0 50 BFAA Clc1cc(Br)cc2c1OCO2 164366051 JBMQHJLNVUKDHJ-UHFFFAOYSA-N 235.464 2.831 0 50 BFAA C[C@H](CSC(C)(C)C)N[C@@H]1CCCC[C@H]1O 186786709 WJQZPJXXFDJFPX-IJLUTSLNSA-N 245.432 2.800 0 50 BFAA CCc1nc(CNc2ncccc2F)cs1 195575256 FQSPMFGGFPHVOP-UHFFFAOYSA-N 237.303 2.852 0 50 BFAA C[C@H]1C[C@H](C)CN(CN2C[C@@H](C)C[C@@H](C)C2)C1 222525834 FWHHSHGFMAGIGE-ZQDZILKHSA-N 238.419 2.900 0 50 BFAA O=C(O)CCN1CCC[C@H]1CCc1ccccc1 238160811 PURSBKOHPOBOAJ-AWEZNQCLSA-N 247.338 2.558 0 50 BFAA Clc1ccc(Br)c2cncn12 238582597 LOLLNLWWRVQKEN-UHFFFAOYSA-N 231.480 2.750 0 50 BFAA CC(C)Oc1c(F)cc(O)cc1Cl 261493936 MEFMVCABDROQQT-UHFFFAOYSA-N 204.628 2.972 0 50 BFAA CN(C[C@@H](O)c1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2 299872842 QPJACXYEMOQCLG-QCEMKRCNSA-N 245.366 2.840 0 50 BFAA CC(C)(O)[C@H]1CCN(Cc2ccc(Cl)o2)C1 670450940 SBCBCAKHENWQQV-VIFPVBQESA-N 243.734 2.526 0 50 BFAA c1cncc(CN2CC[C@@H]3CCCC[C@H]32)c1 685939495 KCNXZXBGQRGTIM-UONOGXRCSA-N 216.328 2.846 0 50 BFAA CC[C@@H](C)Nc1ncnc2ccccc12 132651 DFOKBVJVIWIVLK-SECBINFHSA-N 201.273 2.840 0 50 BFAA CCCC(=O)Nc1cc(C)ccc1OC 145334 NCTZFNKJAGEUEI-UHFFFAOYSA-N 207.273 2.742 0 50 BFAA CCOC(=O)c1cc(-c2ccccc2)no1 266288 XYKADOXYAZEDNB-UHFFFAOYSA-N 217.224 2.518 0 50 BFAA in-vitro Cc1cc(NC(=O)C2CCCCC2)no1 280642 HSYJEDFAOIDWDZ-UHFFFAOYSA-N 208.261 2.502 0 50 BFAA CC(=O)Nc1cccc(Br)c1C 408693 YYAPEVMVBWRSOD-UHFFFAOYSA-N 228.089 2.716 0 50 BFAA O=C(COC(=O)[C@@H]1C=CCCC1)c1ccccc1 448519 CORMBNGUTGWCOF-CYBMUJFWSA-N 244.290 2.769 0 50 BFAA O=C(/C=C/c1cccs1)Nc1cccnc1 449849 CFWANZBETGRJIN-AATRIKPKSA-N 230.292 2.795 0 50 BFAA O=C(c1cc(F)cc(F)c1)C(F)(F)F 2378572 VPJBBHOADBTNFQ-UHFFFAOYSA-N 210.101 2.710 0 50 BFAA in-vitro Clc1ncc(Cc2ccccc2)cn1 2523034 LWKOTZUAHATCNT-UHFFFAOYSA-N 204.660 2.721 0 50 BFAA Nc1ccc(-c2nc(-c3ccccc3)no2)cc1 3160174 GUPGUFMJVVCPCZ-UHFFFAOYSA-N 237.262 2.986 0 50 BFAA CNC(=O)c1cc2c(s1)CCCCCC2 4195948 LJPPDKFGWUSRRE-UHFFFAOYSA-N 223.341 2.767 0 50 BFAA CCC1CCC(N2CCN(CC)CC2)CC1 19608913 MDWMOLQMQSBZLO-UHFFFAOYSA-N 224.392 2.593 0 50 BFAA FC(F)(F)c1cnc2nc(S)sc2c1 40456647 FGPULQJCUIQMEF-UHFFFAOYSA-N 236.243 2.999 0 50 BFAA in-vitro Cc1nc2ccccc2nc1Br 52099542 YBJFSDXUCGYJSK-UHFFFAOYSA-N 223.073 2.701 0 50 BFAA in-vitro c1ccc(OCCNCC2CCCCC2)nc1 57353350 RLUMPCFDRVHHFA-UHFFFAOYSA-N 234.343 2.630 0 50 BFAA CC/C=C\CCCN1CC[C@H]2CC[C@@H](C1)N2 65461339 NJJKJTJKGUIDQA-TYHIMRJMSA-N 222.376 2.559 0 50 BFAA CC(=O)Cc1cc(Cl)cnc1Cl 85477174 QPQJNQHWLHPQML-UHFFFAOYSA-N 204.056 2.520 0 50 BFAA in-vitro CC(C)(C)OC(=O)[C@H]1CCCc2cccnc21 95628794 CDXNIYSYQPAXPX-NSHDSACASA-N 233.311 2.843 0 50 BFAA in-vitro Cc1c(F)ccc(Br)c1O 95929147 NJJWOIJACWVQSZ-UHFFFAOYSA-N 205.026 2.602 0 50 BFAA CC(=O)C(Sc1ccc(Cl)cc1)C(C)=O 100065170 GJLNLPQGSJDWOM-UHFFFAOYSA-N 242.727 2.979 0 50 BFAA in-vitro O=C(O[C@H]1C=CCCC1)c1cccc2[nH]ncc12 785594621 HMFSWGXKGYXEJW-JTQLQIEISA-N 242.278 2.828 0 50 BFAA C[C@H]1C[C@@H]1C(=O)Nc1nc2ccc(Cl)cc2[nH]1 874690700 GTWLNDDBTUTPOF-XPUUQOCRSA-N 249.701 2.811 0 50 BFAA COC(=O)c1cc2c(nc1Cl)C[C@H](C)CC2 1775970450 NEFIKSZDJWPYSA-SSDOTTSWSA-N 239.702 2.646 0 50 BFAA FC1(F)C[C@H]1Cn1ccnc1-c1ccccn1 1875243810 YMCTWNKBUAVJGO-VIFPVBQESA-N 235.237 2.600 0 50 BFAA Cc1ccc(N(C)C(=O)n2nc(C)cc2C)cc1 79628 QCMKAYGCTVOUMN-UHFFFAOYSA-N 243.310 2.913 0 50 BFAA CC(=O)c1cccc(OC(F)(F)F)c1 164678 UYHTUQHYGKAYJM-UHFFFAOYSA-N 204.147 2.788 0 50 BFAA in-vitro CC(=O)/C=C1\NC(C)(C)Cc2ccccc21 231740 GJPPBYCPCDOSHJ-JYRVWZFOSA-N 215.296 2.541 0 50 BFAA COc1ccc(NC(=S)c2ccncc2)cc1 310176 MFTQVGDCDPWPGZ-UHFFFAOYSA-N 244.319 2.878 0 50 BFAA COc1c2ccoc2c(OC)c2oc(=O)ccc12 314951 DFMAXQKDIGCMTL-UHFFFAOYSA-N 246.218 2.556 0 50 BFAA endogenous,in-man CNC(=O)Nc1ccc(Cl)cc1Cl 396220 USUCYXPXQRDEOJ-UHFFFAOYSA-N 219.071 2.745 0 50 BFAA Cc1cc(=O)c2c(Br)cccc2[nH]1 405134 NPEFFOCCWWDAMF-UHFFFAOYSA-N 238.084 2.599 0 50 BFAA Cc1nnc(NC(=O)c2ccc(C)c(C)c2)s1 455590 VJNQNTOGWKECKG-UHFFFAOYSA-N 247.323 2.716 0 50 BFAA Oc1nc(=S)c2c(n1-c1ccccc1)CCC2 469354 ZQPGVNGOSNPLPX-UHFFFAOYSA-N 244.319 2.796 0 50 BFAA CNC(=O)OCCc1ccc(-c2ccccc2)o1 977886 KDPXDLVLFPEBQG-UHFFFAOYSA-N 245.278 2.845 0 50 BFAA O=C(O)/C=C/c1cc(C(F)(F)F)ccc1F 2560187 AUPRFUNTWIUZEA-DAFODLJHSA-N 234.148 2.942 0 50 BFAA in-vitro COc1cccc([C@@H](O)c2ccccc2)c1 4072013 TWFPWTCZBHLWHQ-AWEZNQCLSA-N 214.264 2.777 0 50 BFAA O=C(Nc1ccccc1)[C@@H]1Cc2ccccc2O1 7069621 AMWXSLADMUBBGW-AWEZNQCLSA-N 239.274 2.629 0 50 BFAA O=C(O)c1ccc(-c2cccs2)nc1 12370501 QYGFXNUFKLRCRB-UHFFFAOYSA-N 205.238 2.508 0 50 BFAA in-vitro CCCCc1nnc(S)n1-c1ccccc1 18204169 LBIZWNXMKDHFRJ-UHFFFAOYSA-N 233.340 2.899 0 50 BFAA O=C(Nc1ccccc1)c1ccnc(Cl)c1 19813371 LTAXNWGTCKPZGT-UHFFFAOYSA-N 232.670 2.987 0 50 BFAA c1cncc([C@H]2CCCCN2Cc2cc[nH]n2)c1 20586909 IBYKIICKDNOHCW-CQSZACIVSA-N 242.326 2.532 0 50 BFAA COC(=O)c1c(F)cccc1C(F)(F)F 44199508 YOVLJBSHMOBDEK-UHFFFAOYSA-N 222.137 2.631 0 50 BFAA Brc1cn[nH]c1C1CCCC1 54079596 TXVIOQGNPMZMMJ-UHFFFAOYSA-N 215.094 2.830 0 50 BFAA OCCCc1ccc(C(F)(F)F)cc1 60701469 RDCHJYSYGXHSQF-UHFFFAOYSA-N 204.191 2.630 0 50 BFAA in-vitro COc1ncccc1-c1ccc([C@@H](C)O)cc1 67948088 GTERHFACGMODON-SNVBAGLBSA-N 229.279 2.811 0 50 BFAA CC(C)(C)OC(=O)n1ccc2ccc(CN)cc21 70461064 SZLIIVBURSHWCK-UHFFFAOYSA-N 246.310 2.883 0 50 BFAA O=C(OCc1ccccc1)N1C=CCC1 71773617 ZNLOEFQSAKKFGT-UHFFFAOYSA-N 203.241 2.543 0 50 BFAA COC(=O)c1cc(F)c(C)c(Br)c1 96029107 MBOAEPYPUBWIRI-UHFFFAOYSA-N 247.063 2.683 0 50 BFAA CCCn1ncnc1-c1ccc2ncccc2c1 96166454 CTBIXLPMLIHVQO-UHFFFAOYSA-N 238.294 2.903 0 50 BFAA N[C@H]1CCCC[C@@H]1OCc1cc(F)cc(F)c1 97903696 ZELWUQLZFVBFDN-STQMWFEESA-N 241.281 2.751 0 50 BFAA COC(=O)C[C@@H](c1cccc(O)c1)C1CCC1 140850435 RCMHMWBFRCPMEX-CYBMUJFWSA-N 234.295 2.839 0 50 BFAA CC(=O)Nc1nn([C@@H](C)c2ccccc2)cc1C 170607514 AXZGEJSSPBKFNY-NSHDSACASA-N 243.310 2.759 0 50 BFAA C[C@H]1CCC[C@@H](C)[C@@H]1N[C@@H]1C[C@H]2CC[C@H]1O2 246061449 RFTBWBCXCORDQW-LEZGYBIHSA-N 223.360 2.721 0 50 BFAA COC1(C)CCN(Cc2cccc(C)c2)CC1 271726050 MAJFDSULXDPMAT-UHFFFAOYSA-N 233.355 2.996 0 50 BFAA Cc1sccc1C(=O)N1CCC[C@@H]1CF 295700674 XOQXYWXTWSVACZ-SECBINFHSA-N 227.304 2.631 0 50 BFAA O[C@@H]1CCC[C@@H]1CN[C@H]1CCc2ccc(F)cc21 305169079 TYIDDNBNQPAVDN-BYCMXARLSA-N 249.329 2.564 0 50 BFAA COCc1ncc(C(=O)Nc2ccccc2)s1 349044615 MZEGDOMSFCHCJX-UHFFFAOYSA-N 248.307 2.542 0 50 BFAA CCC(CC)CN(CC)C(=O)/C=C/c1cn[nH]c1 888099610 SKSLEXIEUORQFF-BQYQJAHWSA-N 249.358 2.708 0 50 BFAA O=C(N[C@H]1C=CCC1)c1ccc2ncsc2c1 1130681088 HGPWHEFEEIPQAI-JTQLQIEISA-N 244.319 2.745 0 50 BFAA CC(C)(C)c1csc(NC(=O)C2CC2)n1 413621 WJQJIPWZVJDCEX-UHFFFAOYSA-N 224.329 2.789 0 50 BFAA CCCn1c(COC)nc2ccccc21 572626 ZGPGQPGARXRATB-UHFFFAOYSA-N 204.273 2.593 0 50 BFAA CCN(CC)CCCOc1ccccc1 2496622 PIJGLPYHXXMVJF-UHFFFAOYSA-N 207.317 2.797 0 50 BFAA CCCNC(=S)Nc1ccc(C)cc1C 2782791 AFOQGRQJWGQCMC-UHFFFAOYSA-N 222.357 3.000 0 50 BFAA O=C(O)c1ccc(OC(F)=C(F)F)cc1 4290245 RSARXEGXWPNARA-UHFFFAOYSA-N 218.130 2.799 0 50 BFAA in-vitro COc1ccc2[nH]cc(C3=CCN(C)CC3)c2c1 12336370 TTZUYLGBEOWNTP-UHFFFAOYSA-N 242.322 2.895 0 50 BFAA Cc1nc(-c2ccccc2)c(CO)s1 12370268 RBRYERMYEBFVAB-UHFFFAOYSA-N 205.282 2.611 0 50 BFAA in-vitro Cc1ccc(C(=S)N2C[C@H](C)O[C@H](C)C2)cc1 17971296 DFDNXZXUIMJVLF-TXEJJXNPSA-N 249.379 2.780 0 50 BFAA O[C@@H]1CCc2cc(C(F)(F)F)ccc21 21300508 FLQUVMBVTFSJRY-SECBINFHSA-N 202.175 2.685 0 50 BFAA O=[N+]([O-])/C=C/c1ccc(F)cc1Br 38538061 PWDGGKZXSSMACK-ONEGZZNKSA-N 246.035 2.836 0 50 BFAA in-vitro CCOc1ccccc1OCCNCC(C)C 41279094 ZRNPLZVCYGJSOC-UHFFFAOYSA-N 237.343 2.710 0 50 BFAA O=C1CCCCCC[C@@]1(O)Cc1ccccc1 43199242 DFZOUNNRQCPTAP-OAHLLOKOSA-N 232.323 2.884 0 50 BFAA CC[C@@H](C)NC(=O)CCc1ccc(F)cc1 62063107 GWCICTKREAZZBL-SNVBAGLBSA-N 223.291 2.673 0 50 BFAA Cc1c(Br)ccc(C=O)c1C 67802587 VEWUAPOQQCHWOY-UHFFFAOYSA-N 213.074 2.878 0 50 BFAA O=Cc1cc(F)ccc1N1CCC(F)(F)CC1 169725252 JKBVTBJOSNXQAR-UHFFFAOYSA-N 243.228 2.874 0 50 BFAA COc1ccc2c(c1)CCN([C@@H]1CCSC1)C2 670473590 TYGAILMDLVYXJL-CYBMUJFWSA-N 249.379 2.559 0 50 BFAA Nc1ccc(C2CCCCC2)c2c1CNCC2 757213147 OGDUCVZHYOHEEW-UHFFFAOYSA-N 230.355 2.962 0 50 BFAA CCCCCCOC(=O)[C@@H]1C[N@]1C(C)(C)C 1857666394 TZEBWZNLIOCPDF-FZMZJTMJSA-N 227.348 2.593 0 50 BFAA CCN(CC)[C@@H](C)C(=O)c1ccccc1 215 XXEPPPIWZFICOJ-NSHDSACASA-N 205.301 2.600 0 50 BFAA fda O=C(Nc1cnc2ccccc2c1)N1CCCC1 81948 XNWNTFPINDSULD-UHFFFAOYSA-N 241.294 2.863 0 50 BFAA O=C1CCCc2nc(N3CCCCC3)sc21 2474366 WKSFZARTVKRYDQ-UHFFFAOYSA-N 236.340 2.652 0 50 BFAA CC(CN)(c1ccccc1)c1ccccc1 2567987 CDUYAMDJQXHINM-UHFFFAOYSA-N 211.308 2.951 0 50 BFAA CC(=O)c1ccc(O)c(C(F)(F)F)c1 2572874 HKRUXZJKSFFSGF-UHFFFAOYSA-N 204.147 2.614 0 50 BFAA O=C(CC1CCCC1)Nc1nccs1 3549666 VVQKQIRCLCVCAT-UHFFFAOYSA-N 210.302 2.662 0 50 BFAA in-vitro O=C(Nc1ccnc2ccccc12)C1CC1 6616384 SLXKDOXNGDHWFF-UHFFFAOYSA-N 212.252 2.583 0 50 BFAA CCC1CCC(N2CCCN(C)CC2)CC1 22586551 PKTMSPDVHHWABN-UHFFFAOYSA-N 224.392 2.593 0 50 BFAA CCc1nc(NC)c2cc(CC)sc2n1 41090080 YSBIWMVFLGKUQV-UHFFFAOYSA-N 221.329 2.858 0 50 BFAA CC(=O)c1c(F)cc(Br)cc1F 75844353 TUDMLHCSUOCGMM-UHFFFAOYSA-N 235.027 2.930 0 50 BFAA in-vitro CC[C@H](Nc1ccncn1)c1ncccc1C 91849169 CBUPJKGKKFVSHO-NSHDSACASA-N 228.299 2.743 0 50 BFAA Nc1ccc2c(Br)cncc2c1 148697938 RFCJHUVZURQWCD-UHFFFAOYSA-N 223.073 2.580 0 50 BFAA CC(C)c1nccc(N2C[C@H]3[C@H](C2)C3(C)C)n1 172773511 DBKKSWYJAFXUPG-QWRGUYRKSA-N 231.343 2.692 0 50 BFAA CC(C)CC(C)(C)C(=O)N1CCCCO1 190062293 DNLPTYKTJYIDLF-UHFFFAOYSA-N 213.321 2.613 0 50 BFAA CC(F)(F)[C@@H](C(=O)O)c1ccccc1 257813261 AWWDLBSVZSUFCN-MRVPVSSYSA-N 200.184 2.510 0 50 BFAA CC(C)n1ccc(C(=O)N[C@@H]2C[C@@]2(C)C(C)C)n1 408520035 PGHXUNMZTUIGFX-OCCSQVGLSA-N 249.358 2.628 0 50 BFAA CC[C@H]1CCCC[C@@H]1CN[C@@H]1C=C[C@H](CO)C1 585117509 IOULLYRZBDYVFK-BYNSBNAKSA-N 237.387 2.729 0 50 BFAA c1cn(Cc2cscn2)c(-c2cnsc2)n1 1875249432 SBNHGDSSYZCKKA-UHFFFAOYSA-N 248.336 2.511 0 50 BFAA CCCN(CCC)C(=O)c1ccccc1 29524 XDIWDRFZCSZPTO-UHFFFAOYSA-N 205.301 2.949 0 50 BFAA C[C@@H](NC(=O)c1ccccc1N)c1ccccc1 150134 KBRHMOXICLSVTL-LLVKDONJSA-N 240.306 2.760 0 50 BFAA CC(C)(C)C1CCC(N2CCOCC2)CC1 182155 LVMWWXYUBWKBAS-UHFFFAOYSA-N 225.376 2.924 0 50 BFAA O=C(O)c1ccc(CN2CCCCCC2)cc1 201756 UZLNNJSOWBCWTG-UHFFFAOYSA-N 233.311 2.761 0 50 BFAA CC(=O)N[C@@H](C)c1ccc(Br)cc1 295651 DRRCKKJEBGEBGR-ZETCQYMHSA-N 242.116 2.646 0 50 BFAA C[C@H]1CCC[C@@H](NC(=O)COc2ccccc2)C1 406707 JBWQWECAMPHZCG-QWHCGFSZSA-N 247.338 2.760 0 50 BFAA Cc1ccc(OCC(=O)NC(C)(C)C)c(C)c1 577635 XBRMSZPKFOLUSH-UHFFFAOYSA-N 235.327 2.597 0 50 BFAA Cc1c(N)cccc1NC(=O)OC(C)(C)C 2547914 JNBGTBRWZRCMJJ-UHFFFAOYSA-N 222.288 2.924 0 50 BFAA in-vitro O=Cc1ccccc1-c1cccc(C(=O)O)c1 2574082 NWVOXGWJNSOFTE-UHFFFAOYSA-N 226.231 2.864 0 50 BFAA in-vitro c1ccc(-c2n[nH]c(-c3ccccn3)n2)cc1 8048403 FDOSEIDYURVHEG-UHFFFAOYSA-N 222.251 2.534 0 50 BFAA Nc1ccc(OCc2ccco2)c(F)c1 14630620 SUJYRSFKPHTQBH-UHFFFAOYSA-N 207.204 2.580 0 50 BFAA in-vitro COc1ccc2nc(C(F)(F)F)[nH]c2c1 14987803 GPYQJBAVCKSQTJ-UHFFFAOYSA-N 216.162 2.590 0 50 BFAA O=C1CCN(c2ccccc2Cl)CC1 19087726 HHTPHQOFZKEEHP-UHFFFAOYSA-N 209.676 2.509 0 50 BFAA in-vitro C/C=C(\C)CN(CCO)Cc1cccs1 65382855 AXNYRGKHWPCZGV-QDEBKDIKSA-N 225.357 2.509 0 50 BFAA COc1cccc(Cl)c1-c1ncc(C)c(N)n1 65470497 IEQMZVUDPLBXAA-UHFFFAOYSA-N 249.701 2.696 0 50 BFAA CC(C)=CCN1CCC[C@@H](Cn2ccnc2C)C1 72174212 KRYDTXZTNFRXDF-OAHLLOKOSA-N 247.386 2.870 0 50 BFAA CCOC(=O)C1CCC(OCC)(OCC)CC1 116884932 ZWAHPEMZQDAXMM-UHFFFAOYSA-N 244.331 2.509 0 50 BFAA O=[S@@](O)Cc1c(Cl)cccc1Cl 125989586 FCCOWZZRYXTWRB-UHFFFAOYSA-N 225.096 2.715 0 50 BFAA CC/C=C/COC(=O)c1csc(C)n1 170620481 NQSOONNWUOWTAU-SNAWJCMRSA-N 211.286 2.575 0 50 BFAA CCS[C@@H]1CCC[C@H]1Nc1nc(C)ns1 195542709 MWHYCNYMQRYDPW-RKDXNWHRSA-N 243.401 2.933 0 50 BFAA c1ccc([C@@]23O[C@@H]4[C@H]5[C@@H]2[C@@H]2[C@@H]6C[C@H]([C@@H]4[C@@H]63)[C@@H]52)cc1 239296979 DNZSZQJIFXZSPG-FRVNNECRSA-N 236.314 2.668 0 50 BFAA Nc1ccccc1-c1ccc(C(=O)O)s1 258053805 FVBKXNRBSHRWAD-UHFFFAOYSA-N 219.265 2.696 0 50 BFAA C[C@]1(NC(=O)C2CC(F)(F)C2)CC=CCC1 334520390 WZTYTGXXLLCQDT-NSHDSACASA-N 229.270 2.647 0 50 BFAA CCCC1(CCC)O[C@@]1(CC)C(=O)OC 669382744 LCLQJBPYZDHJIF-LBPRGKRZSA-N 214.305 2.677 0 50 BFAA C=CC(=O)Nc1ccc2nc(CC)oc2c1 1772718335 UNFFTGDNQMWXKF-UHFFFAOYSA-N 216.240 2.515 0 50 BFAA C=CC(=O)Nc1ccc(F)c(C(=O)CC)c1 1776003393 MUJDHJVFFMILQY-UHFFFAOYSA-N 221.231 2.543 0 50 BFAA CC[C@H](C)NC(=O)COc1cccc(Cl)c1 94060 NJVQUYFYUVZXCE-VIFPVBQESA-N 241.718 2.634 0 50 BFAA O[C@@H]1CCSc2ccc(Cl)cc21 107927 KGOKMXKVFZSSOE-MRVPVSSYSA-N 200.690 2.869 0 50 BFAA C1=CN2C[C@H](c3ccccc3)N=C2S1 1559439 UPMCDOMOBNMTPH-SNVBAGLBSA-N 202.282 2.617 0 50 BFAA in-man CCCC[C@H](NCc1ccccc1)C(=O)OC 2506602 YKBIQUQKFOGJGU-ZDUSSCGKSA-N 235.327 2.508 0 50 BFAA NC(=O)c1ccccc1CCc1ccccc1 2879912 RIMLYMAUYDOKDM-UHFFFAOYSA-N 225.291 2.571 0 50 BFAA Cc1nnc(SCc2ccccc2F)n1C 3296496 OSQDZNOAOMSYEL-UHFFFAOYSA-N 237.303 2.555 0 50 BFAA CCOc1ccc(OCCN2CCCC2)cc1 4845398 NXILRPFMBXHOCD-UHFFFAOYSA-N 235.327 2.560 0 50 BFAA COc1cc(O)cc(CCc2cccc(O)c2)c1 13340870 VYQXIUVIYICVCM-UHFFFAOYSA-N 244.290 2.892 0 50 BFAA endogenous,in-man COc1cnc2c(ccn2C(=O)OC(C)(C)C)c1 14401052 VHFWDIPVJZAJHB-UHFFFAOYSA-N 248.282 2.828 0 50 BFAA Cc1ccc(CSc2nc(C)cc(=O)[nH]2)cc1 16292506 PQWDRHSDZGPZMY-UHFFFAOYSA-N 246.335 2.679 0 50 BFAA CCCNc1cccc(Br)n1 38537205 GLRFWSGTTISOFP-UHFFFAOYSA-N 215.094 2.666 0 50 BFAA CN(C)C(=O)c1cccc(Cl)c1Cl 47651730 HYECZRZFYDUHAY-UHFFFAOYSA-N 218.083 2.695 0 50 BFAA Nc1cc(-c2ccc3[nH]ncc3c2)c2cc[nH]c2n1 72161107 KJZDOUDFODRMSJ-UHFFFAOYSA-N 249.277 2.688 0 50 BFAA O=C1CCc2cc(F)cc(Br)c21 72202812 QIXWPINRZMAUAE-UHFFFAOYSA-N 229.048 2.717 0 50 BFAA in-vitro O=c1[nH]c(-c2ccc[nH]2)nc2ccc(Cl)cc12 134473635 OTMAMTJRBCUXBL-UHFFFAOYSA-N 245.669 2.572 0 50 BFAA Cc1cc(C)c(CNCC(F)F)c(C)c1 147392356 WSNARGXVCDDHPL-UHFFFAOYSA-N 213.271 2.967 0 50 BFAA CCN[C@H](C)C(=O)c1ccccc1Cl 238266785 SSLLMDUMCHGPJN-MRVPVSSYSA-N 211.692 2.521 0 50 BFAA in-vitro CS[C@H](C)C(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21 245289663 DIEXCLHTYSOWDB-DDHJBXDOSA-N 241.400 2.918 0 50 BFAA C[C@H](CCCO)N[C@@H]1CC(C)(C)C[C@H]1C 252536288 IBPNKNODARGSOY-IJLUTSLNSA-N 213.365 2.562 0 50 BFAA F[C@H]1CCCN(c2nccc3occc23)C1 334925785 GJLADGPTYNNLGG-VIFPVBQESA-N 220.247 2.766 0 50 BFAA CN(C)c1cccc(-c2ccc(O)c(CO)c2)c1 426628859 UZUXJJTXZDBVNV-UHFFFAOYSA-N 243.306 2.618 0 50 BFAA O=C(c1cc2c(C3CC3)cccc2[nH]1)N1CCC1 864608350 LTDWSPCXOGLBAH-UHFFFAOYSA-N 240.306 2.891 0 50 BFAA C=CC(=O)Nc1ccc(F)c(C2CC2)c1 888098118 FAXWWRUOKILQNK-UHFFFAOYSA-N 205.232 2.828 0 50 BFAA Cc1cc(C)nc(CO[C@H](C)Cc2ncc[nH]2)c1 901528689 PBERIUDDUBKNTE-GFCCVEGCSA-N 245.326 2.569 0 50 BFAA C=CC(=O)N1CC[C@@]1(C)C1CCCCC1 1335866232 HFKXOUHAJUGMHD-ZDUSSCGKSA-N 207.317 2.744 0 50 BFAA CCN(C(=O)c1ccco1)c1ccccc1 30004 KWLXAUQLWRZMLH-UHFFFAOYSA-N 215.252 2.946 0 50 BFAA Cc1ccc(C)n1-c1sccc1C(=O)O 116038 CZQNWEPGEWPUHA-UHFFFAOYSA-N 221.281 2.854 0 50 BFAA in-vitro CCCc1cc(C(N)=O)c2cc(C)ccc2n1 392587 IRLSSBLECQSDRI-UHFFFAOYSA-N 228.295 2.595 0 50 BFAA Cc1cc2nccc(-c3ccccc3)n2n1 1044400 UPIKHLUZOBPXJJ-UHFFFAOYSA-N 209.252 2.705 0 50 BFAA CCN[C@@H](C)C(=O)c1ccc(Cl)cc1 2015697 RNBCGEIZCHBTGL-QMMMGPOBSA-N 211.692 2.521 0 50 BFAA in-vitro CCCCCC[C@H](O)[C@H](O)CCCC 2576968 COLYTQSCHUMMSR-NEPJUHHUSA-N 202.338 2.869 0 50 BFAA in-vitro CCCCCOc1cccc([C@@H](O)CNC)c1 15745742 GINDDPVACHYXOC-AWEZNQCLSA-N 237.343 2.508 0 50 BFAA CN1CCC(Nc2ccc3c(c2)CCC3)CC1 19913731 LLXFRVYXPTUJCF-UHFFFAOYSA-N 230.355 2.681 0 50 BFAA O=C(Cn1ccc2ccc(Cl)cc21)NC1CC1 32096460 DGJKVMHAODQCDL-UHFFFAOYSA-N 248.713 2.573 0 50 BFAA Cc1c(N)cc(Cl)cc1Br 42684326 BGECTFQDFFAMKV-UHFFFAOYSA-N 220.497 2.993 0 50 BFAA in-vitro CC(C)(C)OC(=O)N1CCc2c(C=O)cccc21 42684518 FEAIDQMPFVVRKA-UHFFFAOYSA-N 247.294 2.797 0 50 BFAA COc1ccc(CO[C@H]2OCCC2(C)C)cc1 43199274 RCKWNOZQJXPMEG-CYBMUJFWSA-N 236.311 2.984 0 50 BFAA O=C(O)c1ccc(CC(=O)c2ccccc2)cc1 43214128 YVPSKWZULNRWJN-UHFFFAOYSA-N 240.258 2.810 0 50 BFAA CC(C)(C)OC(=O)N1C[C@H]2CC=CC[C@@H]2C1 64038042 BQRMVHVRBBRSOH-GHMZBOCLSA-N 223.316 2.820 0 50 BFAA in-vitro COC(=O)c1cc(-c2cc(OC)ccc2F)c[nH]1 67605202 AWZPWDISKZVFIM-UHFFFAOYSA-N 249.241 2.616 0 50 BFAA Fc1ccc(-c2cncnc2)c(Cl)c1 67712921 YTGKLSNAMOMDAA-UHFFFAOYSA-N 208.623 2.936 0 50 BFAA Cn1cc([C@H](N)C(F)(F)F)c2ccccc21 71533601 WINLFBJAIXFLHV-JTQLQIEISA-N 228.217 2.740 0 50 BFAA COc1cc(Br)cc2cc[nH]c12 88190115 ANRJERWGVMSBRX-UHFFFAOYSA-N 226.073 2.939 0 50 BFAA O=C1CCc2ccccc2N1C[C@@H]1CCCCO1 95508663 MANPTXJQICJWEI-ZDUSSCGKSA-N 245.322 2.535 0 50 BFAA CCCN[C@H]1Cc2ccc(OC)cc2OC1(C)C 95918264 ODWPTKLJAAYIGQ-AWEZNQCLSA-N 249.354 2.777 0 50 BFAA C1CCN(CCCSC2=NCCS2)CC1 191804126 ZLLQKQWLUWWRLS-UHFFFAOYSA-N 244.429 2.698 0 50 BFAA COC(=O)c1cnc(Cl)c2ccsc12 216302578 NXWYHLJPJXWXRR-UHFFFAOYSA-N 227.672 2.736 0 50 BFAA NCc1cc(Br)c(Cl)s1 227730663 CRKPGXHNMFDHFQ-UHFFFAOYSA-N 226.526 2.623 0 50 BFAA Clc1ncnc(N2CCCCC2)c1Cl 238574379 JLXCBRJDGNFPEK-UHFFFAOYSA-N 232.114 2.774 0 50 BFAA COc1cnc(-c2cccs2)cc1C(=O)O 259410534 SQXYNCHPXVQFEZ-UHFFFAOYSA-N 235.264 2.517 0 50 BFAA CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1C(=O)CC2 306701959 ZOUBYYFEDNQRQH-UWVGGRQHSA-N 239.315 2.508 0 50 BFAA C=CC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C 848979433 WMKVOZSWMDJNSZ-JQWIXIFHSA-N 233.286 2.716 0 50 BFAA c1cn(C[C@@H]2CCCOC2)c(C2CCCC2)n1 1875248928 YKAIXHOYNNIXQG-LBPRGKRZSA-N 234.343 2.967 0 50 BFAA O=C(OCCc1ccc2cccnc2c1)C1CC1 1875278242 KYLVRSAIGUSNRZ-UHFFFAOYSA-N 241.290 2.731 0 50 BFAA CCC[C@@H](CC)[S@](=O)CCOC1CCC1 1875279230 HEXMQVGEPCMKAW-IUODEOHRSA-N 232.389 2.883 0 50 BFAA C=CC(=O)Nc1cnc2cc(C)ccc2c1 1875368402 ORVSXXSVOBWREM-UHFFFAOYSA-N 212.252 2.668 0 50 BFAA Cc1nn(C(=O)c2ccccc2)c(C)c1Cl 78656 MLEYSWLJNRFFPI-UHFFFAOYSA-N 234.686 2.842 0 50 BFAA COc1ccc(F)cc1Br 164569 JIQXVIJARQLCOY-UHFFFAOYSA-N 205.026 2.597 0 50 BFAA biogenic,in-vitro FC(F)(F)c1nnc(N2CCCCC2)s1 193893 MIZAXPVYVZIIRW-UHFFFAOYSA-N 237.250 2.547 0 50 BFAA OCCN(Cc1ccccc1)C[C@H]1CC=CCC1 218973 HHDWJOMSNUIHJG-INIZCTEOSA-N 245.366 2.837 0 50 BFAA c1ccc(-c2nncn2-c2ccccc2)cc1 402110 WEIRTCYAWLTKFW-UHFFFAOYSA-N 221.263 2.934 0 50 BFAA CCC[C@H](C)Oc1ccc(C(=O)O)cc1 570207 DSLOIDXSXSKJBP-VIFPVBQESA-N 208.257 2.952 0 50 BFAA O=C(Nc1nc2ccccc2[nH]1)c1cccs1 807841 CVWNRLYSTJFZAE-UHFFFAOYSA-N 243.291 2.877 0 50 BFAA Cc1cc(F)ccc1NC(=O)c1cccnc1 1055223 PYLWKSBLYCYISE-UHFFFAOYSA-N 230.242 2.781 0 50 BFAA C[C@H](NC(=O)Cc1cccs1)c1ccncc1 1056652 BFOBCGAWKRGVHO-JTQLQIEISA-N 246.335 2.563 0 50 BFAA Cc1nc2ccccc2c(C(=O)O)c1C 1610381 HBLZFANAJAJVRQ-UHFFFAOYSA-N 201.225 2.550 0 50 BFAA CCOC(=O)c1c(C)[nH]c2ccc(F)cc12 2512989 FORZEOSWWHEOEL-UHFFFAOYSA-N 221.231 2.792 0 50 BFAA CC[C@@H](C)c1ccc(NC(=O)COC)cc1 2751941 FGCXBGDFQXKPOA-SNVBAGLBSA-N 221.300 2.785 0 50 BFAA CCOC(=O)C(=O)c1cc(Cl)cc(Cl)c1 4255748 HFWDXQZJACFSOU-UHFFFAOYSA-N 247.077 2.739 0 50 BFAA Cc1ccc(CN2CCSCC2)cc1 4990305 JPOACEZEVCRRPB-UHFFFAOYSA-N 207.342 2.544 0 50 BFAA C[C@@H](NC(=O)CCC1CCCC1)[C@H]1CCCO1 6700190 SJULNWDEBXCCME-DGCLKSJQSA-N 239.359 2.641 0 50 BFAA Cn1ccc2ccc(Br)cc21 12370286 PXHJDPPKNUGKPM-UHFFFAOYSA-N 210.074 2.941 0 50 BFAA in-vitro Brc1cc2ccccc2cn1 14982273 ZWJYXJDEDLXUHU-UHFFFAOYSA-N 208.058 2.997 0 50 BFAA in-vitro FC(F)(F)c1ccc([C@H]2CCNC2)cc1 22200449 MMHBTMCYKWWNNS-VIFPVBQESA-N 215.218 2.782 0 50 BFAA in-vitro O=C(O)c1ccc(F)c(-c2ccc(O)cc2)c1 32003015 RIKYUNRNITULQO-UHFFFAOYSA-N 232.210 2.897 0 50 BFAA in-vitro CCOC(=O)c1cc2cc(F)cc(F)c2[nH]1 43220675 HDQWIGXSLOUUMR-UHFFFAOYSA-N 225.194 2.623 0 50 BFAA in-vitro Fc1cc(F)c2c(Cl)ncnc2c1 66054825 GYHQPNLHJJSYSN-UHFFFAOYSA-N 200.575 2.561 0 50 BFAA COc1ccc2c(c1)CC[C@]1(C)C2=CC[C@@H]1O 71774146 CVDBQWXONDFFGQ-LSDHHAIUSA-N 230.307 2.796 0 50 BFAA [C-]#[N+]c1ccccc1I 100000359 LRVUESGQPSOZCA-UHFFFAOYSA-N 229.020 2.842 0 50 BFAA in-vitro COc1cccc2c1C1[C@H]3C4C5[C@H]3C2[C@H]5[C@@H]14 101037065 PHICXBGTDAEVRO-HSWSEXOISA-N 210.276 2.628 0 50 BFAA Cc1cc(C)cc(C2(F)CCNCC2)c1 163275269 VBJRLFAYJDUCMW-UHFFFAOYSA-N 207.292 2.852 0 50 BFAA COc1cc(Br)ccc1C(C)(C)O 216014647 SOKDOQGEPNGAQY-UHFFFAOYSA-N 245.116 2.685 0 50 BFAA in-vitro Cc1cnc2[nH]ccc2c1Br 230570559 VSOSUQLVHNCTMY-UHFFFAOYSA-N 211.062 2.634 0 50 BFAA in-vitro CO[C@@H]1CCCN(c2ccnc3ccccc23)C1 264725001 IDLMMHLLKJZTRG-GFCCVEGCSA-N 242.322 2.850 0 50 BFAA C[C@H]1CN(CCCC(=O)O)[C@H]1c1ccccc1 299753679 YYGVVKJGQUULKB-SMDDNHRTSA-N 233.311 2.544 0 50 BFAA CC[C@H](OC)C(=O)NC1(c2ccc(C)cc2)CC1 534589583 KNCKJWMCXOFBDA-ZDUSSCGKSA-N 247.338 2.525 0 50 BFAA C=CC(=O)N1CCC[C@H]1Cc1cccc(F)c1 791340475 PZXWXRRFEDBCIW-ZDUSSCGKSA-N 233.286 2.545 0 50 BFAA C=CC(=O)NCc1c(Cl)oc2ccccc12 863971569 YYZBPBGFJLGUJR-UHFFFAOYSA-N 235.670 2.888 0 50 BFAA CC(C)c1cnc(O)c(Br)c1 1857783387 JPYCZTKVYQNZMU-UHFFFAOYSA-N 216.078 2.673 0 50 BFAA C[C@H](c1ccccc1)N1C(=O)OC(C)(C)[C@@]1(C)O 90613 VYPJIHOZAOLARI-QMTHXVAHSA-N 249.310 2.687 0 50 BFAA C[C@H](NC1CCCCC1)[C@H](O)c1ccc(O)cc1 389083 RVCFDYFCYVBHKW-NHYWBVRUSA-N 249.354 2.736 0 50 BFAA O=c1nc(-c2ccccc2)oc2ccccc12 402014 GWDYJKXSUSPLEA-UHFFFAOYSA-N 223.231 2.855 0 50 BFAA COc1ccc2c(-c3csc(N)n3)c[nH]c2c1 533394 VMQWROWIGUGMDA-UHFFFAOYSA-N 245.307 2.882 0 50 BFAA COC(=O)c1cccc(-c2ccc(N)cc2)c1 1258127 MUWVXRUNXXPZQY-UHFFFAOYSA-N 227.263 2.722 0 50 BFAA in-vitro Cc1cc(N(C)C)nc(Nc2ccccc2C)n1 1425759 OYXCDSXMERALRC-UHFFFAOYSA-N 242.326 2.903 0 50 BFAA CCOC(=O)C(C)(C)Oc1ccc(CC)cc1 1459689 MIRLMEGGYCKMGQ-UHFFFAOYSA-N 236.311 2.970 0 50 BFAA CC(C)NC[C@@H](O)Cc1cccc2ccccc12 2015404 UPWFAGQZEUYCAX-HNNXBMFYSA-N 243.350 2.741 0 50 BFAA CC(C)N(C(=O)c1ccccc1N)C(C)C 2029139 XQWPXEOBNTWBMH-UHFFFAOYSA-N 220.316 2.528 0 50 BFAA CC(=O)n1nc(C(F)(F)F)cc1C(F)(F)F 2526329 NVCMVWSRHPQCLU-UHFFFAOYSA-N 246.110 2.581 0 50 BFAA biogenic O=C1CCN(c2ccc(Cl)cc2)CC1 2559657 SUPUBCWGOUYLIG-UHFFFAOYSA-N 209.676 2.509 0 50 BFAA in-vitro CCCCOCCCNC(=O)CC(C)(C)C 2743579 ZGRSBMNHVHAYMZ-UHFFFAOYSA-N 229.364 2.746 0 50 BFAA O[C@@H](CNCC1CCCCC1)c1ccccc1 3327215 GDDGPOKVLNZLTH-HNNXBMFYSA-N 233.355 2.890 0 50 BFAA CC(C)c1ccc([C@H]2NCCc3nc[nH]c32)cc1 8733334 LNMXQEAWYNFGFK-CQSZACIVSA-N 241.338 2.768 0 50 BFAA biogenic Cc1cccc(NC(=O)NC2CCC2)c1 13331742 WHGVXMZBAXLIRM-UHFFFAOYSA-N 204.273 2.669 0 50 BFAA O=C(O)CSCc1coc(-c2ccccc2)n1 21953075 FBQCDKHUMNCMBT-UHFFFAOYSA-N 249.291 2.659 0 50 BFAA CCOC(=O)CSc1cccc(C)c1 40695608 HJSPKJGIDKTQSR-UHFFFAOYSA-N 210.298 2.650 0 50 BFAA COc1cc(C)cc(-c2cnccc2N)c1OC 96162760 IGVPUKJQNSBMAN-UHFFFAOYSA-N 244.294 2.656 0 50 BFAA CC[C@@H](C)N1CCN(C[C@H]2C[C@H]3C=C[C@H]2C3)CC1 100610173 GZCRAGOTMUZNSI-FXUDXRNXSA-N 248.414 2.615 0 50 BFAA O=C1[C@H]2CC[C@@H](C2)C(=O)[C@H]2C[C@H]1c1ccccc12 102187659 YRSJNRIOPYFJRB-NUZBWSBOSA-N 240.302 2.826 0 50 BFAA Cc1n[nH]c(NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)c1C 252962354 OWXWNIKWETUFIV-SRVKXCTJSA-N 247.342 2.791 0 50 BFAA FC1(F)CCC(NCc2cccnc2)CC1 309492016 IVCFCLIRLPUVSI-UHFFFAOYSA-N 226.270 2.749 0 50 BFAA Cc1ccc2n[nH]cc2c1[C@@H]1CCNC[C@@H]1C 757213574 POGMBJFZNNTQGQ-WDEREUQCSA-N 229.327 2.584 0 50 BFAA C=CC(=O)NCC1(c2ccccc2Cl)CC1 863971490 VJBHETGIENXTOT-UHFFFAOYSA-N 235.714 2.674 0 50 BFAA Cc1coc(S[C@H](C)C[C@H]2CCOC2)n1 1775992477 SUOMPROHRSAVBM-NXEZZACHSA-N 227.329 2.890 0 50 BFAA Cc1ocnc1C(=O)NC[C@H]1CC[C@@H]2CCC[C@@H]21 1857680199 DVPCGNFCGLAVOM-TUAOUCFPSA-N 248.326 2.539 0 50 BFAA O=C(Nc1ccccc1)Nc1cccnc1 37406 WBKYYDBHEGTTON-UHFFFAOYSA-N 213.240 2.726 0 50 BFAA C[C@@H]1C[C@@H](C)CN(C(=O)Cc2ccc(F)cc2)C1 73887 REQIKLMUMQHHKZ-VXGBXAGGSA-N 249.329 2.873 0 50 BFAA CCOC(=O)c1[nH]c(C)c(Br)c1C 158979 POLBZQUAKJYNIF-UHFFFAOYSA-N 246.104 2.571 0 50 BFAA CCOc1cc(C)nc(-c2ccccc2)n1 209765 GCSNQGTWRPRVBJ-UHFFFAOYSA-N 214.268 2.851 0 50 BFAA Cc1cc(N)c2cc(Br)ccc2n1 211145 XXMSKHOXTXOECY-UHFFFAOYSA-N 237.100 2.888 0 50 BFAA CCC[C@@H]1C[C@@H](c2csc(N)n2)CCO1 330302 SIINGJBLYGBGDL-DTWKUNHWSA-N 226.345 2.788 0 50 BFAA CCC(=O)Nc1cc(OC)c(Cl)cc1OC 457887 BLFZFHIHTDNJNM-UHFFFAOYSA-N 243.690 2.706 0 50 BFAA Cc1nn(C)c(Cl)c1C(=O)Nc1ccccc1 1590620 ZAJFIKDZSWZHFU-UHFFFAOYSA-N 249.701 2.634 0 50 BFAA C[C@@H](C(=O)O)c1ccc(C[C@H]2CCCC2=O)cc1 1846128 YMBXTVYHTMGZDW-ZWNOBZJWSA-N 246.306 2.786 0 50 BFAA world COc1c2occc2cc2ccc(=O)oc12 2548959 QXKHYNVANLEOEG-UHFFFAOYSA-N 216.192 2.548 0 50 BFAA biogenic,fda Cc1ccc(NC(=O)c2ccncc2)cc1F 4810966 ATOWFJRBEATVLD-UHFFFAOYSA-N 230.242 2.781 0 50 BFAA CCCCNCCCOc1ccccc1 4997167 AAOLTEBEJFWXBV-UHFFFAOYSA-N 207.317 2.845 0 50 BFAA C=CN1CCCC[C@@H](C(=O)c2ccccc2)C1=O 6658275 IOIMHZKQVYKGLR-ZDUSSCGKSA-N 243.306 2.642 0 50 BFAA CC(C)Cc1cc(N)n(-c2ccccc2)n1 36533233 NFNOYYLUXURTBD-UHFFFAOYSA-N 215.300 2.653 0 50 BFAA CC1(CC[C@@H]2CC(=O)CC2(C)C)OCCO1 45071728 JBORCXOOPWLMIP-SNVBAGLBSA-N 226.316 2.535 0 50 BFAA CN[C@H](COc1ccccc1)Cc1ccccc1 54437215 AWLQOFPQRWZRAU-HNNXBMFYSA-N 241.334 2.896 0 50 BFAA Cc1cccc(OCc2nc(C3CC3)n[nH]2)c1 65536495 JMXMVLJOFPVVBY-UHFFFAOYSA-N 229.283 2.570 0 50 BFAA CCOc1ccc(C(F)(F)F)cc1O 71445366 SZEXGMNVFASRPV-UHFFFAOYSA-N 206.163 2.810 0 50 BFAA O=C(c1cc(F)ccc1F)C(F)(F)F 100509098 OLRYUAJEQRSZFH-UHFFFAOYSA-N 210.101 2.710 0 50 BFAA O=C(Nc1ccccc1)C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12 101132203 JFZRWFPPTGPNIX-UKJIMTQDSA-N 227.307 2.917 0 50 BFAA CC(C)(C)n1cnnc1-c1ccccc1 131354624 SXQCUICPALGDDP-UHFFFAOYSA-N 201.273 2.700 0 50 BFAA COc1cc(NCc2cc[nH]n2)ccc1Cl 193680673 BPXWRHUZJVTJKB-UHFFFAOYSA-N 237.690 2.684 0 50 BFAA O=C1CCC[C@@H](c2ccc(Cl)cc2)N1 196541593 MCRKTTNPBUWRKS-JTQLQIEISA-N 209.676 2.681 0 50 BFAA in-vitro Cc1cc(CN(C)[C@@H]2CCC(C)(C)C2)on1 336007299 WEBSDJXBUNGRSI-LLVKDONJSA-N 222.332 2.994 0 50 BFAA Cn1cc(-c2ccc(C(=O)C3CC3)c(F)c2)cn1 426552398 WMHGLFODNBYUHU-UHFFFAOYSA-N 244.269 2.819 0 50 BFAA CCCOc1ccccc1-c1nnc(N(C)C)o1 1704313279 IDLRRMNVSMJPKX-UHFFFAOYSA-N 247.298 2.591 0 50 BFAA c1cncc(-c2nccn2Cc2ccco2)c1 1875240704 XRRMOCFLIWPBKW-UHFFFAOYSA-N 225.251 2.586 0 50 BFAA O=S(=O)(Cc1ccccc1)c1ccccc1 163130 FABCMLOTUSCWOR-UHFFFAOYSA-N 232.304 2.661 0 50 BFAA in-vitro Cc1cccc(C(=O)NCc2ccco2)c1 300311 ALHHMPRUZZNJEH-UHFFFAOYSA-N 215.252 2.518 0 50 BFAA Cc1ccccc1NS(=O)(=O)c1ccccc1 393968 BIZZAMCVUWYVCZ-UHFFFAOYSA-N 247.319 2.796 0 50 BFAA COC(=O)[C@H]1[C@@H](C=C(Cl)Cl)C1(C)C 4261949 QJOOIMSFFIUFKX-IYSWYEEDSA-N 223.099 2.751 0 50 BFAA in-vitro COC(=O)CC12CC3CC(CC(C3)C1)C2 4284663 MZIVXJGBKLZCKF-UHFFFAOYSA-N 208.301 2.766 0 50 BFAA CCCCS(=O)(=O)Nc1ccccc1Cl 6725936 JPPWTQPLPUHVPZ-UHFFFAOYSA-N 247.747 2.882 0 50 BFAA CCOC(=O)CC(=O)c1ccc(SC)cc1 20475428 QOZARDBBEJXHBJ-UHFFFAOYSA-N 238.308 2.544 0 50 BFAA Nc1c(NC2CCCC2)c2ccccc2oc1=O 20533770 NWDCOSBNDBSOIY-UHFFFAOYSA-N 244.294 2.730 0 50 BFAA Cn1nccc1-c1ccc(Br)cc1 30677844 CVCDEENQBMSJCX-UHFFFAOYSA-N 237.100 2.850 0 50 BFAA in-vitro CNc1ccc(C)c(Br)c1 32009875 YVTBJPSYZFZYIZ-UHFFFAOYSA-N 200.079 2.799 0 50 BFAA in-vitro Cc1ccc(C)c(C(=O)NCCCOC(C)C)c1 42236322 ODBBPKGWXTXHQV-UHFFFAOYSA-N 249.354 2.848 0 50 BFAA CCC/C=C/c1cccc(F)c1C(N)=O 71278525 LZVZPPZRCMBTOG-GQCTYLIASA-N 207.248 2.738 0 50 BFAA OCc1ccc(Cl)cc1Br 89065186 LSBLTOOILFNPNO-UHFFFAOYSA-N 221.481 2.595 0 50 BFAA in-vitro COc1cc(-c2cccc(C=O)c2)ccn1 133319399 PIWGCOUXPLKZEZ-UHFFFAOYSA-N 213.236 2.570 0 50 BFAA Cc1cccnc1NCC1(C)CCOCC1 158667065 BCOYLWPBYQJEKZ-UHFFFAOYSA-N 220.316 2.619 0 50 BFAA CC(C)Cn1ccnc1NCc1cccnc1 225449290 SPRUVHGXXGKHCD-UHFFFAOYSA-N 230.315 2.546 0 50 BFAA CCCC[C@H](C)C(=O)N1CCC[C@H]2OCC[C@H]21 225704499 YGPNQFSSTFFSTA-YNEHKIRRSA-N 239.359 2.593 0 50 BFAA COC(=O)[C@H](C)c1nccc2ccccc12 259914174 GDNKIRVFBHIHMR-SECBINFHSA-N 215.252 2.511 0 50 BFAA CCN1CCC(Nc2ncc(C)cc2C)CC1 394799319 LLVZZPUXOXHYJX-UHFFFAOYSA-N 233.359 2.595 0 50 BFAA CCc1nc2cc(F)ccc2cc1C(=O)O 713559910 XSPYKUKZKOJDPV-UHFFFAOYSA-N 219.215 2.635 0 50 BFAA Cc1ncoc1-c1nnc(-c2ccsc2)o1 1616030918 HLJZUWNCJKVSDJ-UHFFFAOYSA-N 233.252 2.762 0 50 BFAA O=C(O)C1(c2ccc(F)cc2)CCCC1 155787 VVMRZYODYMBLRJ-UHFFFAOYSA-N 208.232 2.722 0 50 BFAA in-vitro O=C1CCC(=O)N1c1cccc(Cl)c1Cl 398705 VXHFRXBBDKFXAR-UHFFFAOYSA-N 244.077 2.647 0 50 BFAA O=C(Nc1ccncc1)NC1CCCCC1 409061 CQSQWHFDVZITNP-UHFFFAOYSA-N 219.288 2.536 0 50 BFAA Cc1ccc(CNCc2ccncc2)cc1 795089 KADHELQTVKKZPR-UHFFFAOYSA-N 212.296 2.680 0 50 BFAA in-vitro COc1ccc(-c2ccc(O)c(C(=O)O)c2)cc1 2525634 BMJWQWVQGHSPSF-UHFFFAOYSA-N 244.246 2.766 0 50 BFAA COc1ccc([C@@H]2CCCCN2)cc1C 4234831 ZOWUNECZKOZILX-LBPRGKRZSA-N 205.301 2.818 0 50 BFAA in-vitro COC(=O)c1ccc2c3c([nH]c2c1)CCCC3 4344105 JIKRQIFBJQYZNW-UHFFFAOYSA-N 229.279 2.833 0 50 BFAA CC(C)CNC(=O)Nc1ccccc1F 4539216 BZLCTLUOEACLGK-UHFFFAOYSA-N 210.252 2.603 0 50 BFAA Cc1ccc(Cl)c(OC(C)(C)C(=O)O)c1 6008967 DDAAEZNXAGEDNQ-UHFFFAOYSA-N 228.675 2.890 0 50 BFAA in-vitro COC(=O)CSCc1ccc(F)cc1Cl 6490465 PQXRVIHZQJQPPI-UHFFFAOYSA-N 248.706 2.885 0 50 BFAA COc1ncc(Cl)cc1Br 8698253 AYEVELLBDURPJW-UHFFFAOYSA-N 222.469 2.506 0 50 BFAA in-vitro CNCc1csc(-c2ccccc2)n1 14807384 UGRXAOUDHZOHPF-UHFFFAOYSA-N 204.298 2.530 0 50 BFAA COC(=O)c1cc(C)sc1Br 30678002 ROKSORSRSUAPHR-UHFFFAOYSA-N 235.102 2.606 0 50 BFAA C=CCOC(=O)OC1=CC(=O)CCC[C@H]1C 43198610 FJEAVKQWWXNSKM-SECBINFHSA-N 224.256 2.599 0 50 BFAA CCC[C@@H](C)NC(=O)COc1ccc(C)cc1C 45966079 WAARHXOEZADDGH-CYBMUJFWSA-N 249.354 2.987 0 50 BFAA Fc1cnc(Br)c(Cl)c1 75759743 NWCUOFUVPZPBKW-UHFFFAOYSA-N 210.433 2.637 0 50 BFAA in-vitro FC1(F)CN(Cc2ccccc2)Cc2cn[nH]c21 96028445 NTIGWVQREOIVJJ-UHFFFAOYSA-N 249.264 2.517 0 50 BFAA C[C@H](O)[C@@H](C)CCCCC[C@@H]1CCC(=O)O1 147878500 AVWSRVAFDWTTIH-SDDRHHMPSA-N 228.332 2.659 0 50 BFAA CC1(C)CCC[C@H]1NC(=O)Nc1nccs1 176404874 IDTROQMRPZTNJH-MRVPVSSYSA-N 239.344 2.843 0 50 BFAA CCn1cnc2c(Br)cccc21 205473387 QSMHMUDYCSOQEM-UHFFFAOYSA-N 225.089 2.819 0 50 BFAA CC(C)OCCCN(C#N)c1ccc(F)cc1 252498763 RKPCJDKJUFOVEI-UHFFFAOYSA-N 236.290 2.928 0 50 BFAA Cc1nnn2cc(C(F)(F)F)cc(Cl)c12 263639757 HQNORRLIFLYLFN-UHFFFAOYSA-N 235.596 2.710 0 50 BFAA CC(C)c1ncc(NC(=O)[C@H]2CC2(C)C)cn1 280065373 ZIPNHNYTPHSRSU-SNVBAGLBSA-N 233.315 2.585 0 50 BFAA CC[C@H](C)C(=O)N1Cc2cccc(F)c2C1 335129922 HUCKFSZLZZGYJY-VIFPVBQESA-N 221.275 2.714 0 50 BFAA CCSCCN[C@H](C)CN1CCCCCC1 336778313 LAJXOJWBYLEETB-CYBMUJFWSA-N 244.448 2.594 0 50 BFAA CC[C@@H]1OC[C@H]2Cc3ccccc3[C@H]2O1 822742340 GRUQFUUIIULWTC-RTXFEEFZSA-N 204.269 2.683 0 50 BFAA CC[C@H](Nc1nccc(C)n1)c1ccccn1 1336726946 RCQRZFNTTSYEBL-NSHDSACASA-N 228.299 2.743 0 50 BFAA CO[C@@H]1CCC[C@]12CCCN(c1ccccn1)C2 1704308447 RRBNTANQQMRLFE-UKRRQHHQSA-N 246.354 2.867 0 50 BFAA O=C(O)[C@@H]1C[C@@H]1[C@@H]1C[C@H]1c1ccc(F)cc1 1775965110 DHRFICORGRNPPF-IRCOFANPSA-N 220.243 2.650 0 50 BFAA C/C(=C\c1ccco1)CN[C@@H]1CCN(C)[C@H](C)C1 1775987508 LPXVLKVNOSSTGL-DBLGQFABSA-N 248.370 2.755 0 50 BFAA CC1(C)C=C(/C=C/c2ccccc2)NC(=O)N1 51172 IGIXVEPIBCBDMH-CMDGGOBGSA-N 228.295 2.675 0 50 BFAA CC(C)[C@@]1(O)c2ccccc2-c2ncccc21 88194 VQGAKSMYTWYVAJ-OAHLLOKOSA-N 225.291 2.954 0 50 BFAA CSc1ccc(NC(=O)NC2CC2)cc1 399293 KZMIINQLXYAXQY-UHFFFAOYSA-N 222.313 2.692 0 50 BFAA CC(C)NC(=O)Oc1ccc(F)cc1Cl 401861 NKEASYHPNKDXOT-UHFFFAOYSA-N 231.654 2.976 0 50 BFAA Cc1sc(N)c(C(=O)OC(C)C)c1C 2573212 PXWXBFMFSLKMJA-UHFFFAOYSA-N 213.302 2.512 0 50 BFAA CCOC(=O)COc1ccc(C(C)(C)C)cc1 4661839 XKOOVHYJLVRPNR-UHFFFAOYSA-N 236.311 2.926 0 50 BFAA N[C@@H](c1c[nH]c2ccccc12)C(F)(F)F 12360156 TZQBOSKCYLEGAX-VIFPVBQESA-N 214.190 2.730 0 50 BFAA in-vitro COc1ccc(F)cc1-c1csc(N)n1 12568349 AJSHECLHRCNMOP-UHFFFAOYSA-N 224.260 2.540 0 50 BFAA in-vitro Fc1ccc2[nH]c([C@@H]3CCCCN3)nc2c1 14808204 WHFCKKIVCAMLFF-JTQLQIEISA-N 219.263 2.517 0 50 BFAA Fc1ccc(-n2cc(Br)cn2)cc1 16159751 OAIFXEHOEQLJIP-UHFFFAOYSA-N 241.063 2.774 0 50 BFAA in-vitro CNCc1cnc(-c2ccccc2)s1 22864178 KKXGPUAWGDSHKN-UHFFFAOYSA-N 204.298 2.530 0 50 BFAA Cc1ccc2cc(-c3cn[nH]c3)ccc2n1 32590363 JSKDKRRLFWLNOT-UHFFFAOYSA-N 209.252 2.933 0 50 BFAA CCOC(=O)CCc1ccc(Cl)cc1 34563420 YNEYMDBBOTWIAL-UHFFFAOYSA-N 212.676 2.836 0 50 BFAA Cc1cnc(Cl)cc1Br 35569819 QGMCCRKFZDLEBP-UHFFFAOYSA-N 206.470 2.806 0 50 BFAA C/C=C(\OCC)[C@@]1(O)CCc2ccccc21 43763214 HCGVDRLYABZWBN-CRAFIKPXSA-N 218.296 2.761 0 50 BFAA Cc1c(Br)ccc2c1NCCO2 200783628 VYKHUEGCOXQRDI-UHFFFAOYSA-N 228.089 2.562 0 50 BFAA Cc1c(Br)cnc2cccnc12 204042951 CSEBAXXCYHTKQE-UHFFFAOYSA-N 223.073 2.701 0 50 BFAA Cc1cccc(NC(=O)[C@H]2C[C@@H]2C(F)F)c1 335776179 FHMMSLWBJJJGNK-UWVGGRQHSA-N 225.238 2.835 0 50 BFAA C=CC(=O)Nc1cccc(OC(C)(C)C)c1 1335866662 JXNMYHFQAWGSKY-UHFFFAOYSA-N 219.284 2.988 0 50 BFAA Cc1cc(C(=O)c2ccccc2)ccc1O 84150 UDGHTNPEJPFNIP-UHFFFAOYSA-N 212.248 2.932 0 50 BFAA in-vitro C[C@@H](CN(C)C1CCN(C)CC1)c1ccccc1 278097 YEARZNGDLMHQCC-AWEZNQCLSA-N 246.398 2.816 0 50 BFAA Cc1ccc(C)c(OCCN2CCCC2)c1 280818 KDIKNXXFPUMCAH-UHFFFAOYSA-N 219.328 2.778 0 50 BFAA Cc1ccc(C(=O)NCc2ccccn2)cc1C 288396 XWRYLTKBSJPUNS-UHFFFAOYSA-N 240.306 2.628 0 50 BFAA CCC[C@H](C)C(=O)Nc1ccc(C(=O)OC)cc1 457015 FVMBDJKRBLOGKH-JTQLQIEISA-N 249.310 2.848 0 50 BFAA Cc1ccc(CC(=O)NC2CCCC2)cc1 463722 VPZGIOVWSZCMCY-UHFFFAOYSA-N 217.312 2.596 0 50 BFAA Cc1ccc(CC(=O)N2CCCC[C@H]2C)cc1 464768 WLSUWIQOWFLZHE-CYBMUJFWSA-N 231.339 2.939 0 50 BFAA Cc1ccc(NC(=O)[C@@H]2CCCO2)cc1Cl 476048 PBPAQBVWROIUEM-NSHDSACASA-N 239.702 2.766 0 50 BFAA OCc1ccc(Cl)cc1C(F)(F)F 2527762 OYVUJDHCOIJRDO-UHFFFAOYSA-N 210.582 2.851 0 50 BFAA in-vitro CCCCOc1ccc(O)c(C(C)=O)c1 2968125 WFMGVLPLMIMMOY-UHFFFAOYSA-N 208.257 2.774 0 50 BFAA CN(C)Cc1ccccc1[C@@H]1CCCCN1 4234862 CJBNGRDOGNMGFQ-AWEZNQCLSA-N 218.344 2.563 0 50 BFAA in-vitro C1CN[C@@H](C23CC4CC(CC(C4)C2)C3)C1 4237890 YVRRAISBZUMEJB-JEFIIJIESA-N 205.345 2.955 0 50 BFAA in-vivo CC1(C)CO[P@](=O)(O)O[C@H]1c1ccccc1 4976708 PSZSDCWNBXVDFG-JTQLQIEISA-N 242.211 2.901 0 50 BFAA COC(=O)Nc1cccc(Br)c1 5354590 MFYWFWFNTFKJSA-UHFFFAOYSA-N 230.061 2.627 0 50 BFAA in-vitro CO[C@@H]1CCCC[C@@H]1NC1CCCCC1 16667404 PUUBMYORYPUWEI-QWHCGFSZSA-N 211.349 2.866 0 50 BFAA C[C@H](N)[C@@H]1C[C@@H]1c1ccc(Br)cc1 20594479 ZDRRHNMZTLAZCG-BKDNQFJXSA-N 240.144 2.900 0 50 BFAA COC(=O)c1c[nH]c2ccc(Cl)cc12 26895953 QFNXAQPCYKEICY-UHFFFAOYSA-N 209.632 2.608 0 50 BFAA in-vitro Cc1c2ccc(Br)cc2nn1C 31777124 OAYUNSJKNKZYHT-UHFFFAOYSA-N 225.089 2.644 0 50 BFAA in-vitro CCC[C@@H]1CCN(N)[C@@H]1c1cccc(OC)c1 96027608 WNHHXDQUSUDQGZ-RISCZKNCSA-N 234.343 2.732 0 50 BFAA Cc1nnc([C@H](C)Oc2ccc(C)c(F)c2)o1 193587565 ZWUSEXSFMJXRLP-QMMMGPOBSA-N 236.246 2.966 0 50 BFAA C=CC(=O)N1CCc2ccccc2[C@@H]1CC 213258405 BDELVASBGBPBII-ZDUSSCGKSA-N 215.296 2.708 0 50 BFAA COC(=O)c1cccc(-c2ccc(F)cn2)c1 253495757 QGUSAMQGBLXWJO-UHFFFAOYSA-N 231.226 2.674 0 50 BFAA Cc1ccc2n[nH]cc2c1[C@@H]1CCCN[C@@H]1C 757209990 GYWIWOJBJKNJRJ-GHMZBOCLSA-N 229.327 2.727 0 50 BFAA C=CC(=O)N[C@@H]1CCc2c(Cl)cccc21 791337881 XSCKSQOPQMACSP-LLVKDONJSA-N 221.687 2.630 0 50 BFAA Cc1ccncc1NC(=O)C[C@]12CCC[C@@H]1C2 1875312343 ZVPGUVBZPWGJPX-BXUZGUMPSA-N 230.311 2.909 0 50 BFAA O=c1ccoc2ccc(Br)cc12 57934 XVNBWGGBXOJIDR-UHFFFAOYSA-N 225.041 2.556 0 50 BFAA biogenic,in-vitro CCOC(=O)c1ccc(C(F)(F)F)cc1 162661 ZQDADDSPMCHZPX-UHFFFAOYSA-N 218.174 2.882 0 50 BFAA in-vitro CC[C@H](C)c1ccccc1NC(=O)COC 860097 MMTDCPLVFOSBLJ-JTQLQIEISA-N 221.300 2.785 0 50 BFAA C[C@H]1CN(Cc2ccc(Cl)cc2)C[C@H](C)O1 19607045 KNIIMCBPRMMBRM-QWRGUYRKSA-N 239.746 2.949 0 50 BFAA CC(C)(C(=O)O)c1c[nH]c2ccccc12 62151852 FCCAHDWYBGCCMD-UHFFFAOYSA-N 203.241 2.530 0 50 BFAA in-vitro CC(=O)Nc1cccc(-c2cccnc2)c1 71773632 XHKKIOPGAABPQY-UHFFFAOYSA-N 212.252 2.707 0 50 BFAA Clc1nc(Cl)c2c(n1)CSC2 84311998 YSADLUWHNVZEJK-UHFFFAOYSA-N 207.085 2.530 0 50 BFAA in-vitro Clc1cccc(C2(N[C@H]3CCOC3)CC2)c1 134266620 PWKRAHSQCNEHOW-LBPRGKRZSA-N 237.730 2.708 0 50 BFAA C[C@H]1C[C@@H](NC[C@@H](O)c2ccncc2)CC[C@H]1C 222327938 CXIOPHKHLHPKGW-PAPYEOQZSA-N 248.370 2.529 0 50 BFAA Cc1ccc([C@]2(O)C[C@@H](C)N(C)C[C@H]2C)c(C)c1 245254639 BNPBCKRXUQEEPS-FMKPAKJESA-N 247.382 2.851 0 50 BFAA CCN(C(=O)c1ccoc1)c1cccnc1C 253432673 MKKZDTUDNIZZDB-UHFFFAOYSA-N 230.267 2.650 0 50 BFAA O=C(Nc1ccc(O)cc1)Nc1cncc(F)c1 336611519 YKDMEKUURLNGGD-UHFFFAOYSA-N 247.229 2.570 0 50 BFAA CO[C@H](C)c1ccc(-c2nc[nH]c(=N)c2C)cc1 426504020 PEMMLDLXPFYUCW-SNVBAGLBSA-N 243.310 2.572 0 50 BFAA CCOc1ccnc(-c2ccc(F)cc2OC)n1 426535287 XAQNQVHVRFJAKC-UHFFFAOYSA-N 248.257 2.690 0 50 BFAA Cc1nnc(Cl)cc1-c1ccncc1 1875390020 KVRWXCHQVFKIPM-UHFFFAOYSA-N 205.648 2.500 0 50 BFAA C[C@@H](NC(=O)[C@H]1CC1(C)C)c1ccccc1 50111 WXZNHQPOEMNFDV-ZYHUDNBSSA-N 217.312 2.910 0 50 BFAA CC[C@@H](C)NC(=O)c1ccccc1Cl 126143 QGHRLJWPQVGPEP-MRVPVSSYSA-N 211.692 2.868 0 50 BFAA CC(=O)Oc1c(Cl)cc(C(=O)O)cc1Cl 151859 IDBSPEMWRGCKSM-UHFFFAOYSA-N 249.049 2.617 0 50 BFAA CC(C)NC(=O)Nc1ccc(Cl)cc1 392866 FROBZIOHWNEGPN-UHFFFAOYSA-N 212.680 2.870 0 50 BFAA O=C(Nc1ccon1)c1cc2c(s1)CCCC2 1055813 XHGFQTUXAPINDR-UHFFFAOYSA-N 248.307 2.867 0 50 BFAA Nc1ccc2c(c1)ncn2CCc1ccccc1 1059832 UZAMFIGPCWZECF-UHFFFAOYSA-N 237.306 2.861 0 50 BFAA Cc1cccc(C)c1NC(=O)C(F)(F)F 1597769 ZPEZUSBHIYTLLY-UHFFFAOYSA-N 217.190 2.804 0 50 BFAA Cc1ccccc1I 1672846 RINOYHWVBUKAQE-UHFFFAOYSA-N 218.037 2.600 0 50 BFAA in-vitro COc1ccc(C(=O)Cc2cccnc2)cc1 1675476 NDBVHXUNBUTGKJ-UHFFFAOYSA-N 227.263 2.516 0 50 BFAA in-vitro Cc1c(C(=O)N(C)C)oc2ccc(F)cc12 9457023 KCYBWLIJDOQDIP-UHFFFAOYSA-N 221.231 2.582 0 50 BFAA in-vitro O=C(CCCc1ccccc1)Nc1ccon1 13746941 HAORXXHAIOQCGR-UHFFFAOYSA-N 230.267 2.636 0 50 BFAA O=C(O)[C@H](CCc1ccccc1)C(F)(F)F 16159505 ILPBLRFRNISTEM-VIFPVBQESA-N 232.201 2.882 0 50 BFAA O=C1N[C@@H](c2ccccc2)[C@@H](c2ccccc2)N1 17993140 MLAJDFOBMYBISF-OKILXGFUSA-N 238.290 2.782 0 50 BFAA O=C1CCN(c2ccc(C(F)(F)F)cc2)CC1 19474950 WQOAAEMEPSSOEB-UHFFFAOYSA-N 243.228 2.875 0 50 BFAA FC(F)(F)c1cccc(CN2CCOCC2)c1 19634274 WRPBJSMGRMPPRB-UHFFFAOYSA-N 245.244 2.538 0 50 BFAA Cc1c2n(c3ccccc13)CN(C)[C@@H](C)C2 22016407 JQEUCWFQSSDQFQ-JTQLQIEISA-N 214.312 2.784 0 50 BFAA Clc1nnc(Cl)c2c1CCCC2 32106652 KLFNXIXNWZZRLE-UHFFFAOYSA-N 203.072 2.662 0 50 BFAA COc1ccc2ncc(-c3cc[nH]n3)cc2c1 65399032 UCGIJQDSZUKPLD-UHFFFAOYSA-N 225.251 2.634 0 50 BFAA O=C(Cc1cccc(Cl)c1)NC1CCCC1 67788353 HXXQLDQGRFCYAQ-UHFFFAOYSA-N 237.730 2.941 0 50 BFAA Cn1cncc1-c1ccc(Br)cc1 90131967 GBRRZXCIOPPVND-UHFFFAOYSA-N 237.100 2.850 0 50 BFAA in-vitro CCOC(=O)c1ccc(C(F)(F)F)c(C)n1 95708077 JVRZFBBHNZYINP-UHFFFAOYSA-N 233.189 2.586 0 50 BFAA O=C(O)CCN1CCC[C@H]1CC1CCCCC1 238160775 TVHQFCXFEQREKM-ZDUSSCGKSA-N 239.359 2.896 0 50 BFAA C[C@H](N[C@@H]1/C=C/CCCCC1)c1cnn(C)c1 242273789 YFXXUAKCYHIXEP-GXTWGEPZSA-N 233.359 2.960 0 50 BFAA Cc1ccsc1[C@H](C)N[C@H]1CCC[C@H]1CO 252485887 BKJOMYKQWQREKQ-SRVKXCTJSA-N 239.384 2.868 0 50 BFAA C[C@H]1CN(CCCC(=O)O)[C@@H]1c1ccccc1 299753677 YYGVVKJGQUULKB-FZMZJTMJSA-N 233.311 2.544 0 50 BFAA Cc1ccc(C(=O)N2CCCC[C@@H]2C)c(C)n1 336113880 WPFFOPVCWATZAI-NSHDSACASA-N 232.327 2.713 0 50 BFAA CN(Cc1ccoc1)C[C@H]1Cc2ccccc2O1 670473333 LFNOWNQBGOSSSM-CQSZACIVSA-N 243.306 2.715 0 50 BFAA C=CC(=O)N(C)c1ccc2nc(C)sc2c1 888098769 MVCWWIZQCIGYLN-UHFFFAOYSA-N 232.308 2.754 0 50 BFAA C[C@H]1CCCN1c1nccc2ncccc12 1875273813 LVEOKBUIKWFSMX-JTQLQIEISA-N 213.284 2.619 0 50 BFAA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)O 56614 MZHCENGPTKEIGP-RXMQYKEDSA-N 235.066 2.845 0 50 BFAA biogenic,in-vitro Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC=O 190966 CXCVCIXZMDJVSW-ZDUSSCGKSA-N 228.295 2.600 0 50 BFAA Cc1ccccc1C(=O)NC1CCCC1 271905 HSOKKFSLZAFAMX-UHFFFAOYSA-N 203.285 2.667 0 50 BFAA S=C(Nc1ccc(Cl)cc1)NC1CC1 315331 NYJQQZKMYIVVHZ-UHFFFAOYSA-N 226.732 2.789 0 50 BFAA CNC(=O)Oc1cc(C)c(SC)c(C)c1 2038975 YFBPRJGDJKVWAH-UHFFFAOYSA-N 225.313 2.744 0 50 BFAA biogenic,in-vitro Brc1cccc([C@@H]2CCCN2)c1 2582605 FIRVFEHVSIYTIO-JTQLQIEISA-N 226.117 2.874 0 50 BFAA in-vitro O=C(O)CCC(=O)c1cc(F)cc(Cl)c1 4242542 TYZQVKLGTNMCBN-UHFFFAOYSA-N 230.622 2.527 0 50 BFAA CN(Cc1ccccc1)C[C@H]1CCCCC1=O 4783499 SKWKYJAWOSNIAZ-CQSZACIVSA-N 231.339 2.878 0 50 BFAA in-vitro CC(C)c1ccc(-c2cc(C(=O)O)n[nH]2)cc1 6839339 PCZGIQISGVTTCE-UHFFFAOYSA-N 230.267 2.898 0 50 BFAA O=c1ccc(-c2ccc(Cl)cc2)c[nH]1 38435194 CICHMBLPJGYPGW-UHFFFAOYSA-N 205.644 2.695 0 50 BFAA in-vitro C[C@H](N)c1ccc(Br)cc1F 66054508 BRPFKIPSXUHGSH-YFKPBYRVSA-N 218.069 2.608 0 50 BFAA in-vitro O=C(O)[C@@H](Cc1ccccc1)c1ccc(O)cc1 71773977 YQRXIILIXJKTKC-AWEZNQCLSA-N 242.274 2.803 0 50 BFAA COC(=O)c1scc2c(C)cc(C)nc12 72482079 MJJKLJMKZKYIMP-UHFFFAOYSA-N 221.281 2.700 0 50 BFAA in-vitro C[C@H](CN(C)Cc1cc2ccccc2o1)C(=O)O 86807236 CSVINGSZTJWCBN-SNVBAGLBSA-N 247.294 2.585 0 50 BFAA N[C@H]1CCCc2c(Br)cccc21 95642288 ZJHZHNDFXRZWHW-JTQLQIEISA-N 226.117 2.785 0 50 BFAA CC(C)(N)C(=O)c1cc2ccccc2s1 96027494 SHDLBWYQPZOKGT-UHFFFAOYSA-N 219.309 2.821 0 50 BFAA Cn1nccc1C1CCN([C@@H]2C=CCCC2)CC1 171735994 RHFNVNSYACVFEW-CQSZACIVSA-N 245.370 2.708 0 50 BFAA CC[C@@H](C)CN1CCc2ccc(C(=O)O)cc2C1 212036052 GEXRCMDAIKGSBL-LLVKDONJSA-N 247.338 2.789 0 50 BFAA CC1(C)C[C@H](O)[C@@]23CC[C@H](O)[C@@](C)(CC[C@H]12)C3 229762554 BWXJQHJHGMZLBT-FUQNVFFISA-N 238.371 2.725 0 50 BFAA biogenic CC(C)(C)OC(=O)N1CCCCC12CC(=O)C2 250592784 NHKKYMZPVPTITK-UHFFFAOYSA-N 239.315 2.509 0 50 BFAA Fc1cccc2c([C@H]3CCOC3)c[nH]c12 255190211 VQVIVSKGHHLPOL-QMMMGPOBSA-N 205.232 2.811 0 50 BFAA Cc1ncccc1CN1CCC(CF)CC1 336208854 SLVLXCURSKMWEX-UHFFFAOYSA-N 222.307 2.572 0 50 BFAA COc1ccc(CN2CC[C@@H](C3CC3)C2)cc1O 378346295 FBLIAVYKWMYAPW-CYBMUJFWSA-N 247.338 2.633 0 50 BFAA CCn1ncnc1-c1ccc(O)c2ccccc12 426711472 OJJFSAYQUBBHDR-UHFFFAOYSA-N 239.278 2.824 0 50 BFAA Cc1cc(NC(=O)C23CCC(CC2)CC3)n[nH]1 710303843 BIOWCIVPWPQMKM-UHFFFAOYSA-N 233.315 2.627 0 50 BFAA CC[C@H](OC)c1ncnn1Cc1ccc(C)cc1 822667815 YEMCIZWKQLTZGL-ZDUSSCGKSA-N 245.326 2.732 0 50 BFAA FC1CC(CN[C@H]2CCc3ccccc3OC2)C1 2325771893 ZEZNIUHAUIKUHY-UBHUBRDASA-N 249.329 2.718 0 50 BFAA Clc1cc2nsnc2cc1Cl 168050 FANYVGCAISPJSX-UHFFFAOYSA-N 205.069 2.998 0 50 BFAA in-vitro O=C(O)CCSc1nc2ccccc2s1 192890 DXSBAOMLHPFLMW-UHFFFAOYSA-N 239.321 2.863 0 50 BFAA in-vitro Nc1nc(Nc2ccccc2)nc2ccccc12 572969 OEBBWBXOACRBRL-UHFFFAOYSA-N 236.278 2.956 0 50 BFAA in-vitro Nc1nnc(SCCC(F)=C(F)F)s1 1389730 JPARHDLWVVBFCP-UHFFFAOYSA-N 241.263 2.680 0 50 BFAA biogenic,in-vitro Cc1cc(C)cc(C(=O)CCCC(=O)O)c1 2378652 SXRAQQMGZKWORM-UHFFFAOYSA-N 220.268 2.741 0 50 BFAA CNc1nnc(-c2ccc(C)cc2)s1 4993914 XMBYVDAXCMOJRY-UHFFFAOYSA-N 205.286 2.555 0 50 BFAA CC1CCN(C(=S)c2ccc(O)cc2)CC1 13126746 UKAFKKJTWPITNK-UHFFFAOYSA-N 235.352 2.800 0 50 BFAA COc1ccc(Cl)cc1-c1cccc(N)n1 38069035 ZPMFQPRMNWAYAO-UHFFFAOYSA-N 234.686 2.993 0 50 BFAA CC(C)=C1C(=O)N[C@H](C)/C1=C\c1ccccc1 43761647 FMVUWBOOZCUMBD-VSXLWIIGSA-N 227.307 2.925 0 50 BFAA COC(=O)c1cc(Cl)cc(C(F)(F)F)n1 95803907 QGNOZTMZBPOLGT-UHFFFAOYSA-N 239.580 2.540 0 50 BFAA O=C1Oc2ccccc2[C@H]1c1ccccc1 100494779 NANGQJICIOUURV-CYBMUJFWSA-N 210.232 2.738 0 50 BFAA Nc1nnc(C23CC4C[C@H](CC[C@@H](C4)C2)C3)s1 100748576 ZFLDAANQLAUPEL-VSQZBESOSA-N 249.383 2.978 0 50 BFAA Cc1occc1SCC(=O)c1cccn1C 131326468 MCMUTYMHGRJEGO-UHFFFAOYSA-N 235.308 2.902 0 50 BFAA C[Si](C)(C)c1c(F)c(F)cc(F)c1F 169806234 DICBYDJBYFFMTG-UHFFFAOYSA-N 222.257 2.788 0 50 BFAA O=C(Nc1ccccc1)N[C@@H]1C[C@H]2CC[C@H]1C2 225244566 LGVCWSXOBDLSSP-GMXVVIOVSA-N 230.311 2.997 0 50 BFAA C[C@@H]1C[C@@H]1c1nc(-c2cnc3ccccn23)no1 225553401 LNMPVLLCUBCXLA-BDAKNGLRSA-N 240.266 2.508 0 50 BFAA O=C(N[C@@H]1C=CCCC1)[C@@H]1CCC(F)(F)C1 336082627 WUEBKKQLBAHNSN-NXEZZACHSA-N 229.270 2.647 0 50 BFAA OC1(CCOc2cccc3ncccc23)CCC1 396770828 UHPFPYORWQNPCY-UHFFFAOYSA-N 243.306 2.919 0 50 BFAA Cc1ccccc1CNc1n[nH]c(C(F)F)n1 1775985638 ZRYZKYZBOQQFKX-UHFFFAOYSA-N 238.241 2.663 0 50 BFAA C[C@@H]1CCCN(CCC(=O)Nc2ccccc2)C1 176341 JVSTVTLENBVWNU-CYBMUJFWSA-N 246.354 2.747 0 50 BFAA Cc1cc(C)c(NC(=O)CCCC(=O)O)c(C)c1 235570 JCMKHLBNWLOJJZ-UHFFFAOYSA-N 249.310 2.805 0 50 BFAA CC(C)C[C@]1(C)OC[C@@H](CN2CCCCC2)O1 312894 FCIRFJBRDJWJGX-ZIAGYGMSSA-N 241.375 2.650 0 50 BFAA COC[C@H](C)NCc1ccccc1C(F)(F)F 758875 CJBLEVZCUSNWTM-VIFPVBQESA-N 247.260 2.830 0 50 BFAA CN(C)c1ccc([C@H](O)c2ccccc2)cc1 4244749 ZCFIOPJQDOOQQE-OAHLLOKOSA-N 227.307 2.834 0 50 BFAA in-vitro OCCN(Cc1ccccc1)Cc1cccs1 4987336 WNLKNHCFOROKBS-UHFFFAOYSA-N 247.363 2.743 0 50 BFAA c1ccc(Nc2ccc(N3CCCC3)nn2)cc1 6702877 QIIHVKQVNCDDGO-UHFFFAOYSA-N 240.310 2.820 0 50 BFAA COc1cc(Br)c(Cl)cc1N 15444513 QXHFCTQXBMGLQY-UHFFFAOYSA-N 236.496 2.693 0 50 BFAA in-vitro Cc1ccc(NC(=O)[C@@H]2CC23CCCC3)cn1 19792882 IQFHQPQEDKPAHX-LBPRGKRZSA-N 230.311 2.909 0 50 BFAA CC(C)C(=O)c1ccc([C@H](C)C(=O)O)cc1 22065600 RCINGEKPKJQCMO-VIFPVBQESA-N 220.268 2.713 0 50 BFAA in-vitro COc1cccc2c(Cl)c(C(=O)O)cnc12 34343708 QMWBLZDPQJWVRU-UHFFFAOYSA-N 237.642 2.595 0 50 BFAA CC[C@H]1CN(c2ccnc(C)c2)CCN1C(C)C 96130435 RJNAZRRMDMWWQX-AWEZNQCLSA-N 247.386 2.699 0 50 BFAA CC[C@@]1(C)Oc2ccc(NC(C)=O)cc2O1 135267859 NDPMKSQIRQXRCF-LBPRGKRZSA-N 221.256 2.542 0 50 BFAA CCCCC[S@@](=O)c1ccoc1C 191201729 MTVFZTQWLKSDDK-CYBMUJFWSA-N 200.303 2.886 0 50 BFAA C[C@@H](Nc1c[nH]nc1-c1ccccn1)C1CC1 191459490 GVYDAKXTRRIKIK-SECBINFHSA-N 228.299 2.682 0 50 BFAA CCOC(=O)c1ccc2cc(F)ccc2c1O 238853373 JKWASILMZAVHIS-UHFFFAOYSA-N 234.226 2.861 0 50 BFAA in-vitro Cc1c(CN2CC[C@H]2c2cccs2)cnn1C 252483713 FHHNXFDAQXTZDI-LBPRGKRZSA-N 247.367 2.737 0 50 BFAA Fc1cccc([C@@H]2CNCCN2CC2CCC2)c1 262166016 HJGRJENKTXJQSB-HNNXBMFYSA-N 248.345 2.572 0 50 BFAA CC[C@H]1COC[C@@H]1NCCCNc1ccccc1 863983190 DSOUEUCLJPMVEE-ZFWWWQNUSA-N 248.370 2.503 0 50 BFAA Cc1ccccc1CN1[C@H](C)CCC[C@@H]1C(=O)O 952964756 WFUIPRBOUWSKGD-TZMCWYRMSA-N 247.338 2.823 0 50 BFAA c1cncc(-c2nccn2CCc2ccco2)c1 1875245518 CWAFQKHURVZRNO-UHFFFAOYSA-N 239.278 2.781 0 50 BFAA COc1c(-c2ccc(CCN)cc2)ccnc1C 2100482796 ZLDGOSSPLOIVOW-UHFFFAOYSA-N 242.322 2.567 0 50 BFAA CCN(CC)Cc1cccc2c1COC2 178414 MPIXQGSGVRKDQE-UHFFFAOYSA-N 205.301 2.559 0 50 BFAA Sc1nc2cnccc2n1Cc1ccccc1 197745 KEHZLSFDKMWFHH-UHFFFAOYSA-N 241.319 2.768 0 50 BFAA CC[n+]1ccccc1CCC(=O)c1ccccc1 270668 LKTWPYHZJYCRHA-UHFFFAOYSA-N 240.326 2.810 0 50 BFAA O=Cc1ccc(OC(=O)c2cccc(F)c2)cc1 319740 RBSATZHUGWVUOQ-UHFFFAOYSA-N 244.221 2.857 0 50 BFAA Cc1cc(C)n(C(=O)CSc2ccccc2)n1 1076090 NHVNWIDOJSGVGY-UHFFFAOYSA-N 246.335 2.932 0 50 BFAA CC(=O)CSc1nc2ccccc2o1 2493621 AVEPOFNIZNWZCL-UHFFFAOYSA-N 207.254 2.509 0 50 BFAA COc1ccc(OCc2ccc(C(=O)O)o2)cc1 2521392 HDFIQJWOUCMCRF-UHFFFAOYSA-N 248.234 2.565 0 50 BFAA O=Cc1csc(Cn2cnc3ccccc32)c1 4343470 MIMDMFUSQJPNQZ-UHFFFAOYSA-N 242.303 2.959 0 50 BFAA CC[C@H](C)NC(=O)[C@@H](C)Oc1ccccc1C 6603684 QWDQTEBIJCAEFC-NWDGAFQWSA-N 235.327 2.677 0 50 BFAA CC/C=C/C[C@@H]1C(=O)CC[C@@H]1CC(=O)OC 25721341 GEWDNTWNSAZUDX-ZJRFNNFUSA-N 224.300 2.501 0 50 BFAA endogenous,in-vitro O=Cc1cc(-c2cccc(Cl)c2)no1 57495132 TZCHLLPQCIJQJS-UHFFFAOYSA-N 207.616 2.808 0 50 BFAA in-vitro COc1ncc(Cl)cc1OCC(F)(F)F 65337583 ZFEUGKLODVCOCF-UHFFFAOYSA-N 241.596 2.685 0 50 BFAA in-vitro O=C(O)c1cc(-c2ccccc2O)ccc1F 65349538 UEOSCVAEFKJFHN-UHFFFAOYSA-N 232.210 2.897 0 50 BFAA in-vitro CCCc1nccn1-c1cccc([C@@H](C)O)c1 65408740 PZRTYRIZVARIIN-LLVKDONJSA-N 230.311 2.878 0 50 BFAA CCOC(=O)c1c[nH]cc1Cc1ccccc1 71864086 AJRXPNGFRGTIRR-UHFFFAOYSA-N 229.279 2.782 0 50 BFAA in-vitro CSc1ncc2cnn(-c3ccccc3)c2n1 85999754 DXNDBPJAOFLMFZ-UHFFFAOYSA-N 242.307 2.537 0 50 BFAA Oc1n[nH]cc1-c1ccc(Br)cc1 116030097 RZFMCIFPVOEGAV-UHFFFAOYSA-N 239.072 2.545 0 50 BFAA COc1cc2[nH]ccc2cc1Br 145670843 NWHWSVLYUXYJFU-UHFFFAOYSA-N 226.073 2.939 0 50 BFAA in-vitro CS[C@@H](C)Cn1c(C)cc(C(=O)O)c1C 169066766 WTSMKFWYVZJCGB-QMMMGPOBSA-N 227.329 2.555 0 50 BFAA C[C@@H](NCCCF)c1cccc(-n2ccnc2)c1 170605239 FEBIPSXCUUTCKH-GFCCVEGCSA-N 247.317 2.883 0 50 BFAA Fc1cc(Cl)cn2c(Br)cnc12 238596442 SZOMVMQIEMXWKK-UHFFFAOYSA-N 249.470 2.889 0 50 BFAA C[C@@H]1CC[C@@H](CN(C#N)c2ccc(F)cc2)O1 239672666 BUOWBBKAROAOOG-MFKMUULPSA-N 234.274 2.681 0 50 BFAA Cc1cc(F)cc(C=O)c1Br 299889606 LRRYXNAZBWKKHB-UHFFFAOYSA-N 217.037 2.709 0 50 BFAA CCC[C@H](CC)[S@](=O)CCOC1CCC1 1875279231 HEXMQVGEPCMKAW-SWLSCSKDSA-N 232.389 2.883 0 50 BFAA CC[C@H](C)N(C=O)Cc1ccc(F)cc1 1875324979 FOGFGMBCNSKUBM-JTQLQIEISA-N 209.264 2.583 0 50 BFAA CCCN(CCO)C/C(C)=C/c1ccccc1 234432 NEWKDVOVDFOOCF-WYMLVPIESA-N 233.355 2.794 0 50 BFAA CC(C)n1cc([C@@H](O)CN(C)C)c2ccccc21 1670315 VPRQHZDGYWSBRF-HNNXBMFYSA-N 246.354 2.817 0 50 BFAA Nc1ccnc2ccc(C(F)(F)F)cc12 2565168 WAABMTXRJDIATG-UHFFFAOYSA-N 212.174 2.836 0 50 BFAA in-vitro C[C@H]1CN(C2CCCCCC2)C[C@@H](C)O1 3683494 BFECLFVABJFORV-TXEJJXNPSA-N 211.349 2.818 0 50 BFAA O=C(O)c1csc(-c2ccc(F)cc2)n1 4207416 VVZKBCLSODNUDS-UHFFFAOYSA-N 223.228 2.647 0 50 BFAA in-vitro COc1ccc(-n2cccc2C=O)cc1Cl 4237629 OPSMCMNFVALRBN-UHFFFAOYSA-N 235.670 2.952 0 50 BFAA CCCCSc1nnc(S)s1 5309545 PNYIQXPKCZLYSN-UHFFFAOYSA-N 206.361 2.719 0 50 BFAA in-vitro Cc1ccc(NC(=O)NC[C@@H]2CCCO2)c(C)c1 6727107 UNHDRQSWFCWUIY-LBPRGKRZSA-N 248.326 2.604 0 50 BFAA NCCc1c(-c2ccccn2)[nH]c2ccccc12 6732098 GEZBZIWBDYGEDE-UHFFFAOYSA-N 237.306 2.731 0 50 BFAA O=C(Nc1ccc(F)cc1F)N1CCCC1 6740973 CPBDOIXLUULXND-UHFFFAOYSA-N 226.226 2.593 0 50 BFAA in-vitro CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N(C)C 8041220 XEABCGZJIFRHOH-LLVKDONJSA-N 241.718 2.586 0 50 BFAA Fc1cc(Br)ccc1CNC1CC1 34938192 HSULAFKPOABISP-UHFFFAOYSA-N 244.107 2.840 0 50 BFAA in-vitro NC1(c2cccc(C(F)(F)F)c2)CC1 36906445 DDCYKBUZSOJYES-UHFFFAOYSA-N 201.191 2.653 0 50 BFAA in-vitro COc1cc2ccnc(Cl)c2cc1OC 39137248 MPMDYPSDYGHVBM-UHFFFAOYSA-N 223.659 2.905 0 50 BFAA in-vitro COC(=O)c1cc(OC)cc(C(F)(F)F)c1 47202416 XMNNYFLRCFJXHH-UHFFFAOYSA-N 234.173 2.501 0 50 BFAA COc1c(C(=O)O)sc(Cl)c1Cl 96511020 GSUFOPYPKUVCQB-UHFFFAOYSA-N 227.068 2.762 0 50 BFAA CC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 96877555 ZYNLWRZPRVEDFH-NSHDSACASA-N 241.331 2.613 0 50 BFAA Cc1ccc(Br)c(F)c1O 147312522 KISHPRSWTLOCBV-UHFFFAOYSA-N 205.026 2.602 0 50 BFAA CCc1cc(NCc2cncn2C)ccc1C 182414504 JQUJFTXVMDMYBX-UHFFFAOYSA-N 229.327 2.903 0 50 BFAA CC(C)CCN[C@@H]1CCO[C@H](C2CC2)C1 190812667 KALUNJYWZKDFDO-OLZOCXBDSA-N 211.349 2.580 0 50 BFAA CS[C@@H]1CCC[C@H](Nc2cnccn2)C1 227358091 BOWKSLVJJFNLCO-VHSXEESVSA-N 223.345 2.563 0 50 BFAA Cc1ccccc1[C@@H]1C[C@@H](C)N(CCC(=O)O)C1 237580785 PPCNVSVVZCRYBX-CHWSQXEVSA-N 247.338 2.648 0 50 BFAA 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 239296984 DNZSZQJIFXZSPG-WOJXUMGRSA-N 236.314 2.668 0 50 BFAA Cc1cc(C(=O)O[C@H](C)CC(C)(C)O)c(C)o1 239351857 AACLQESVAKBZDS-SECBINFHSA-N 240.299 2.603 0 50 BFAA CCCOc1c(Cl)ccc(O)c1F 261494129 QOHVEHVBXPHEKL-UHFFFAOYSA-N 204.628 2.974 0 50 BFAA Cc1ccc([C@H]2CCC[C@@H]2N(C)CC(=O)O)cc1 262671204 RRXZMDYELSYBEX-KGLIPLIRSA-N 247.338 2.648 0 50 BFAA CCCn1nccc1-c1cc(C2CC2)ncn1 426525876 IXIYBFACTODVGY-UHFFFAOYSA-N 228.299 2.628 0 50 BFAA Cc1ccc(Nc2ncc(F)cn2)cc1 446971068 CKIGKHPGWWNMHO-UHFFFAOYSA-N 203.220 2.668 0 50 BFAA C=CC(=O)NCc1ccccc1CC(C)C 1338393766 ITMIXISAAKHYKJ-UHFFFAOYSA-N 217.312 2.687 0 50 BFAA C[C@]12C[C@H]1CN(C(=O)c1c[nH]c3ccccc13)C2 1772806063 YHSSBWGMJXEUMI-ZUZCIYMTSA-N 240.306 2.650 0 50 BFAA CCCCCCOC(=O)[C@@H]1C[N@@]1C(C)(C)C 1857666396 TZEBWZNLIOCPDF-SMDDNHRTSA-N 227.348 2.593 0 50 BFAA CC(=O)Nc1ccc2sc(C)nc2c1 126077 WWLOFBMXZGFSDJ-UHFFFAOYSA-N 206.270 2.563 0 50 BFAA O=C(Nc1nccs1)[C@@H]1C[C@H]1c1ccccc1 196534 ZOOMNALRJFPRHO-WDEREUQCSA-N 244.319 2.885 0 50 BFAA COC(=O)COc1ccc(C(C)(C)C)cc1 1599358 OWLZIJMSCPKFJJ-UHFFFAOYSA-N 222.284 2.536 0 50 BFAA Cc1c(N)nc(C)c2c1[nH]c1ccccc12 1850181 LVTKHGUGBGNBPL-UHFFFAOYSA-N 211.268 2.915 0 50 BFAA endogenous,in-man COc1cc(F)c(Br)c(F)c1 2512506 GEJMNTXYFBBTFH-UHFFFAOYSA-N 223.016 2.736 0 50 BFAA O=C(Nc1ccccc1CO)c1ccccc1F 2870234 VZFTZURIHIWZNF-UHFFFAOYSA-N 245.253 2.570 0 50 BFAA c1cn(C23CC4CC(CC(C4)C2)C3)cn1 3957330 PJWXDQVZZXNUQF-UHFFFAOYSA-N 202.301 2.808 0 50 BFAA C[C@H](CC(=O)O)CC(=O)c1ccc(F)c(F)c1 4255372 LHFALPXBGLCWGZ-ZETCQYMHSA-N 242.221 2.648 0 50 BFAA C[C@@H](Oc1cccc(C(F)(F)F)c1)C(=O)O 6007868 DNJHPYCYAWQQGH-ZCFIWIBFSA-N 234.173 2.557 0 50 BFAA in-vitro Cc1ccc([C@]2(C(=O)O)CC2(C)C)cc1 19094016 SSLIEVKLCVTOOJ-ZDUSSCGKSA-N 204.269 2.747 0 50 BFAA in-vitro Cc1ccc2nc([C@@H]3CCCN3)[nH]c2c1C 34924842 RMMWWJVDMGWUCD-NSHDSACASA-N 215.300 2.604 0 50 BFAA in-vitro c1ccc(CC[C@H]2CN(C3CCC3)CCO2)cc1 65385444 YYJCOHNMIOFDFL-INIZCTEOSA-N 245.366 2.873 0 50 BFAA c1cnc2ccc(C3CCNCC3)cc2c1 69051063 NWBRQASBWJBNJK-UHFFFAOYSA-N 212.296 2.702 0 50 BFAA Cc1ccc(-c2nc([C@H]3CCOC3)no2)c(F)c1 96180838 IZUKXBLZXZGZTH-VIFPVBQESA-N 248.257 2.688 0 50 BFAA O=C(Cc1ccc(F)cc1)Nc1ccncc1F 132239957 URDVINJVTBWXRX-UHFFFAOYSA-N 248.232 2.541 0 50 BFAA COCCN1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 367540341 KTHQMXQXNYLSPU-BZUAXINKSA-N 245.366 2.901 0 50 BFAA CC1(C)[C@H]2CCCC[C@H]2[C@H]1NCc1cc[nH]n1 863983665 LUJXWTFWXUNWIH-FRRDWIJNSA-N 233.359 2.714 0 50 BFAA CC(C)c1noc(NC[C@H]2C=CCC2)n1 882757906 SFJWXEGRZHGHBK-VIFPVBQESA-N 207.277 2.571 0 50 BFAA C=CC(=O)NC[C@@H](c1ccccc1)C(C)(F)F 1776005625 MFIXCZOEMGGPTO-NSHDSACASA-N 239.265 2.728 0 50 BFAA C=CC(=O)Nc1cc(C)c(CC)cc1OC 1776007218 ZXVFBEGALMFZHF-UHFFFAOYSA-N 219.284 2.691 0 50 BFAA Cc1cc([C@@H](C)O)ccc1C1=CCCOC1 2325773409 UVUZZEPTLCZVGV-LLVKDONJSA-N 218.296 2.852 0 50 BFAA c1ccc(Nc2cccc3nonc23)cc1 291837 GBQOJFDUJFIVKS-UHFFFAOYSA-N 211.224 2.966 0 50 BFAA CCOC(=O)N1c2ccccc2C[C@@H]1C 1053339 JBZMYSYCWRTAJK-VIFPVBQESA-N 205.257 2.594 0 50 BFAA O=C1C(=O)N2c3ccccc3CCc3cccc1c32 1728537 YIOHEAHCPFGXLB-UHFFFAOYSA-N 249.269 2.646 0 50 BFAA CCCNC(=O)c1cc(-c2cccs2)on1 2497879 HDDZHPSZZMDDIU-UHFFFAOYSA-N 236.296 2.543 0 50 BFAA O=Cc1cccc(OC(=O)c2ccccc2)c1 2568890 GLPVHTPQFPBPNA-UHFFFAOYSA-N 226.231 2.718 0 50 BFAA in-vitro C[C@H](N)c1ccc(OC(F)(F)F)cc1 8698320 VTLIABOHZPSHRN-LURJTMIESA-N 205.179 2.605 0 50 BFAA in-vitro Nc1cccc(Oc2ccc(F)cn2)c1 41075088 WOFXPGGXIADBOP-UHFFFAOYSA-N 204.204 2.595 0 50 BFAA CCCOc1cc(C(=O)O)ccc1Cl 65337044 GSTOIQLTEUFNGQ-UHFFFAOYSA-N 214.648 2.827 0 50 BFAA in-vitro COC(=O)C1CCC(C(F)(F)F)CC1 66323221 UKBPRMAOEHOALJ-UHFFFAOYSA-N 210.195 2.528 0 50 BFAA O=Cc1cc(C(F)(F)F)nn1C1CCCC1 95495585 HMHRLQHAYLOAAK-UHFFFAOYSA-N 232.205 2.830 0 50 BFAA CCCN(Cc1ccccc1)C[C@@H]1CCCNC1 132295368 ACJCBEPQNIHMRH-MRXNPFEDSA-N 246.398 2.898 0 50 BFAA Nc1ccc(C(F)F)cc1Br 215932305 LXQQECFIJRFJEL-UHFFFAOYSA-N 222.032 2.969 0 50 BFAA CCC[C@H]1CCN(N)[C@H]1c1cccc(OC)c1 261361564 WNHHXDQUSUDQGZ-SMDDNHRTSA-N 234.343 2.732 0 50 BFAA C[C@H]1CN(C(=O)C2=CCCC2)CCC1(F)F 335862114 JWHUXRYHUHPNNQ-VIFPVBQESA-N 229.270 2.600 0 50 BFAA Cc1cc(OCCOCC(F)F)c(C)c(C)n1 408518756 YAFLHHJCIPPWKX-UHFFFAOYSA-N 245.269 2.667 0 50 BFAA Cc1nc(-c2cccc(Cl)c2F)nn1C 426423086 QLZHPXXBRVLTJU-UHFFFAOYSA-N 225.654 2.583 0 50 BFAA c1cc(CN2CCCC3(CCNCC3)CC2)co1 426567179 ZFVHGGDIHITHCT-UHFFFAOYSA-N 248.370 2.635 0 50 BFAA Nc1ccnc(-c2ccc(-c3cn[nH]c3)cc2)c1 426683816 MSUBPRJTPJYDLU-UHFFFAOYSA-N 236.278 2.721 0 50 BFAA CC(C)c1ocnc1C(=O)N1C[C@@H]2[C@@H](C1)C2(C)C 685939521 JMZBPALLIUYGPI-NXEZZACHSA-N 248.326 2.526 0 50 BFAA Cc1c(C(=O)O)cc(C2CC2)n1CC(F)(F)F 707008318 ZLURXRPIOUXRCB-UHFFFAOYSA-N 247.216 2.934 0 50 BFAA CCc1cccc(-c2cncc(F)c2)n1 1240236177 IPUQJIQBOHRMFF-UHFFFAOYSA-N 202.232 2.845 0 50 BFAA CC[C@@H](Cn1ccnc1)NCc1cc(C)c(C)o1 1506405549 FZCAJJLMSZSQJK-ZDUSSCGKSA-N 247.342 2.661 0 50 BFAA COc1ccccc1-c1cnn(CCF)c1 1616036485 NFZVTNQCAMRQJL-UHFFFAOYSA-N 220.247 2.528 0 50 BFAA CCCc1cnc(C)nc1N1C[C@H]2C[C@]2(C)C1 1772807561 PAVDFFXXQQKFLK-TZMCWYRMSA-N 231.343 2.584 0 50 BFAA Cc1nnc(N2CC[C@]3(CCC3(C)C)C2)nc1C 2325799729 UPRPKDLJSWOPGS-CQSZACIVSA-N 246.358 2.505 0 50 BFAA Cc1cccc(C)c1NC(=O)[C@H]1CCCCN1C 456 INWLQCZOYSRPNW-CYBMUJFWSA-N 246.354 2.726 0 50 BFAA biogenic,fda COC(=O)CSc1nc2ccccc2s1 210261 FJIFGGQHUVANGE-UHFFFAOYSA-N 239.321 2.561 0 50 BFAA Cc1occc1-c1nc(-c2ccncc2)no1 336627 ZEMIGSGWYISPKG-UHFFFAOYSA-N 227.223 2.700 0 50 BFAA Nc1ccc(C2=CSC3=NCCCCN23)cc1 337028 QNWFWBOEARAHFB-UHFFFAOYSA-N 245.351 2.766 0 50 BFAA Clc1cc2nnsc2cc1Cl 402256 UEGRPBWFVBWAGM-UHFFFAOYSA-N 205.069 2.998 0 50 BFAA O=C(Cc1ccccc1F)NCc1cccs1 1055096 GOEXQEPSOOZRTE-UHFFFAOYSA-N 249.310 2.746 0 50 BFAA Cc1[nH]c2c(C)c(Cl)ccc2c1CCN 1235019 JKFADVYJGKQLHQ-UHFFFAOYSA-N 222.719 2.939 0 50 BFAA in-vitro CCOC(=O)CC(C)(C)NCc1ccccc1 1754572 AYVCXYHRYDQWIC-UHFFFAOYSA-N 235.327 2.508 0 50 BFAA CCCCn1cnc2sc3c(c2c1=O)CCC3 1775298 HQFJOOXQBKKWAC-UHFFFAOYSA-N 248.351 2.747 0 50 BFAA CCSc1nnnn1-c1c(C)cc(C)cc1C 2871412 UQIRJJHBOQEASA-UHFFFAOYSA-N 248.355 2.700 0 50 BFAA C[C@H](CCN1CCC[C@@H]1CO)c1ccccc1 4612524 ZWAOPSWRRKHRKN-UKRRQHHQSA-N 233.355 2.637 0 50 BFAA Cc1ccc(C(=O)c2ccccc2C(=O)O)s1 5942792 IDTRGLSKMOUSHE-UHFFFAOYSA-N 246.287 2.986 0 50 BFAA CCc1ccc(NC(=O)c2cc(C)no2)cc1 6738043 VZEXLXUNRZFXND-UHFFFAOYSA-N 230.267 2.798 0 50 BFAA CC(C)Oc1ccccc1/C=C/C(=O)O 12357558 FLQYLVIWICFVMT-BQYQJAHWSA-N 206.241 2.572 0 50 BFAA COc1ccc([C@H](C)O)cc1Br 12506484 KQHQGTDOJDHQGX-LURJTMIESA-N 231.089 2.511 0 50 BFAA CCCSc1nnc(-c2ccccc2)n1C 16276037 CBFQPELWTJSDFA-UHFFFAOYSA-N 233.340 2.984 0 50 BFAA CCn1cc(CNC(C)(C)CO)c2ccccc21 20934977 VYAINWWWVCPNKM-UHFFFAOYSA-N 246.354 2.522 0 50 BFAA CCCc1nccn1-c1ccc(NC(C)=O)cc1 65423435 MXQNOMAYFPJDJX-UHFFFAOYSA-N 243.310 2.783 0 50 BFAA C[C@@H]([C@@H](O)c1ccc(F)cc1)N1CCCCC1 584620883 LSJZIYPSKQUOEB-SMDDNHRTSA-N 237.318 2.734 0 50 BFAA CSCCC(=O)NC[C@H]1CC12CCCCC2 584890035 SZRXJOMUWPMVHC-LLVKDONJSA-N 241.400 2.826 0 50 BFAA c1csc(-c2nccn2[C@@H]2CCSC2)n1 1875240184 KWMUHDQNRMFFPK-MRVPVSSYSA-N 237.353 2.685 0 50 BFAA C=CC(=O)NC[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1875368169 WZSOFMSEPMQHNH-GHMZBOCLSA-N 239.359 2.518 0 50 BFAA COc1cnccc1-c1cc(C)c(O)cc1F 2356155789 MVUHAWBUWKQNDI-UHFFFAOYSA-N 233.242 2.910 0 50 BFAA Oc1cc(-c2cccc3ccccc23)[nH]n1 53827 IJLXVKPGJDODPJ-UHFFFAOYSA-N 210.236 2.936 0 50 BFAA COc1ccc([C@H](O)c2ccccc2)cc1 156185 BEGZWXVLBIZFKQ-CQSZACIVSA-N 214.264 2.777 0 50 BFAA in-vitro CSC(=S)n1c(C)nc2ccccc21 268803 FTFZUIXUESLUPI-UHFFFAOYSA-N 222.338 2.841 0 50 BFAA O=C(Oc1cccnc1)c1ccc(Cl)cc1 316399 CMTWKLWYLFOQRV-UHFFFAOYSA-N 233.654 2.954 0 50 BFAA Cc1cc2oc(=O)c3c(c2cc1O)CCCC3 1050210 OPMITZHHYGCBNU-UHFFFAOYSA-N 230.263 2.686 0 50 BFAA O=C(O)c1ccc(OC(F)(F)F)c(Cl)c1 2382246 QGVQWEOEEXGRSD-UHFFFAOYSA-N 240.564 2.937 0 50 BFAA COC(=O)c1cc2c(C)cc(OC)c(C)c2[nH]1 4235042 BMPIKDTVZWNXPN-UHFFFAOYSA-N 233.267 2.580 0 50 BFAA CCOC(=O)c1cnoc1-c1ccc(F)cc1 8700102 NQYBPSYHDHVQJS-UHFFFAOYSA-N 235.214 2.657 0 50 BFAA CCCC(=O)Nc1ccc(Cl)c(C)n1 10119495 RDUNXERURDANBU-UHFFFAOYSA-N 212.680 2.782 0 50 BFAA c1ccc2sc(-c3cc[nH]n3)nc2c1 12359648 YAMYGQRUEXYQIE-UHFFFAOYSA-N 201.254 2.686 0 50 BFAA in-vitro Cc1ccc([C@@H](N)C(F)(F)F)c(C)c1 19971458 SEYZVMRTNXIDGW-SECBINFHSA-N 203.207 2.866 0 50 BFAA CN(C)c1nc(C(F)(F)F)nc2ccccc12 32544655 QBQMIMDXMNMXKK-UHFFFAOYSA-N 241.216 2.715 0 50 BFAA CC(C)[C@@](O)(CCc1ccsc1)CC(=O)O 34582281 UPORRJWXURBZMV-GFCCVEGCSA-N 242.340 2.543 0 50 BFAA O=C(O)c1ncccc1-c1ccc(F)cc1 41229478 XBHRQJLIWJGHMP-UHFFFAOYSA-N 217.199 2.586 0 50 BFAA in-vitro Nc1nc2cccc(Br)c2s1 60129344 YHKASBDRJLTLHH-UHFFFAOYSA-N 229.102 2.641 0 50 BFAA in-vitro COc1ccc(C(=O)Nc2cccnc2)cc1C 72437817 HHWWOAYPLJWDLE-UHFFFAOYSA-N 242.278 2.651 0 50 BFAA Clc1nccnc1C1SCCCS1 90495602 OBZGHDUHUNPBBW-UHFFFAOYSA-N 232.761 2.999 0 50 BFAA CCCCNC[C@H]1CSc2ccccc2C1=O 96026798 COOGMYBXPJAHFQ-NSHDSACASA-N 249.379 2.981 0 50 BFAA CCC(=O)c1cc(Cl)c(OC)cc1O 96295212 XOXPVMZTVBSASO-UHFFFAOYSA-N 214.648 2.647 0 50 BFAA CO/C=C/[C@@H]1CCCN1C(=O)OC(C)(C)C 147205629 NAJZYJUGPXMTDO-PCYYEKQGSA-N 227.304 2.546 0 50 BFAA CC(C)CNC(=O)[C@H](C)c1ccccc1 163562098 ROIMNKGFRQUDBH-LLVKDONJSA-N 205.301 2.562 0 50 BFAA Cc1sc(Cl)nc1Br 215208490 DSKUKMXPAFPPJI-UHFFFAOYSA-N 212.499 2.867 0 50 BFAA c1cc2c(cc1OCC1CCC1)CCNC2 257902555 DTHNNSSIQIVGCM-UHFFFAOYSA-N 217.312 2.511 0 50 BFAA N[C@H]1CC[C@@H](Sc2nc3ccccc3[nH]2)CC1 950757486 JTWGPBBNDMWUJZ-AOOOYVTPSA-N 247.367 2.925 0 50 BFAA Cc1ccncc1NC(=O)[C@@H]1CCC12CCC2 1875312207 XFQCOLJIUXXMKV-NSHDSACASA-N 230.311 2.909 0 50 BFAA Nc1ccc(-c2cn3ccccc3n2)cc1 72649 FPCHINCJTRAFAK-UHFFFAOYSA-N 209.252 2.584 0 50 BFAA in-vitro C[C@@H](Oc1cccc2ccccc12)C(=O)O 73860 KTAVXDDWEGVLRN-SECBINFHSA-N 216.236 2.692 0 50 BFAA C[C@H]1CC(C)(C)O[C@@H](C(C)(C)CN(C)C)O1 171817 ISIJXVZVUKMGND-QWRGUYRKSA-N 229.364 2.504 0 50 BFAA biogenic Cc1ccc2scc(CC(=O)O)c2c1 335718 KYZMXUFJGWTSOX-UHFFFAOYSA-N 206.266 2.837 0 50 BFAA in-vitro Cc1cc(C)[n+]2c(n1)sc1ccccc12 4141392 BUKVTPPOUZFPKW-UHFFFAOYSA-N 215.301 2.652 0 50 BFAA O=C(O)CCOc1cccc2ccccc12 4826729 JPLBWCCELAOKOU-UHFFFAOYSA-N 216.236 2.693 0 50 BFAA in-vitro COc1c2ccoc2nc2c(OC)c(O)ccc12 5998737 LJKPBWHZRNQEMO-UHFFFAOYSA-N 245.234 2.704 0 50 BFAA biogenic,in-vitro O=C(O)/C=C/c1ccccc1OC(F)(F)F 12480859 RTCUAUKXVCMIBS-AATRIKPKSA-N 232.157 2.683 0 50 BFAA in-vitro CN1CCN(C2CCC(C(C)(C)C)CC2)CC1 19636169 HUVFJMFBYAIHPE-UHFFFAOYSA-N 238.419 2.839 0 50 BFAA Brc1cccc(N2CCCCC2)n1 20230786 YHQZMCNKHWPFBS-UHFFFAOYSA-N 241.132 2.834 0 50 BFAA in-vitro O=c1ccc2cccc(Br)c2o1 38313360 BIVMXYHSBRLPDE-UHFFFAOYSA-N 225.041 2.556 0 50 BFAA in-vitro COC(=O)Nc1cccc2c1CCCC2 45069441 KXQNRIPVFHZEEB-UHFFFAOYSA-N 205.257 2.744 0 50 BFAA CN(C)c1nc(-c2ccccc2)ccc1C(=O)O 49830922 QETFRDYZGIEASX-UHFFFAOYSA-N 242.278 2.513 0 50 BFAA Cc1ccc(CNCc2cccnc2)s1 55554095 ADWMQBHEJJSMOL-UHFFFAOYSA-N 218.325 2.741 0 50 BFAA CC1(O)C[C@@]23CCCCC[C@]2(CC(=O)C3)C1 71786349 QLMZFZMBQRARSY-KBPBESRZSA-N 222.328 2.831 0 50 BFAA CC(=O)C1(C(C)=O)[C@H]2CC[C@H]1c1ccccc12 101037472 DUGPNDFKVLESRG-KBPBESRZSA-N 228.291 2.826 0 50 BFAA Cc1n[nH]cc1Nc1nc(CC(C)C)ns1 185277373 QAFVCKRGAKKZJL-UHFFFAOYSA-N 237.332 2.512 0 50 BFAA Cc1cc(CN2CCC(CO)CC2)c(C)s1 194384071 IQCXKVNYEWJBHT-UHFFFAOYSA-N 239.384 2.569 0 50 BFAA CC(C)c1noc([C@@H](C)N2CCC[C@H](C)C2)n1 225259608 HFWHMCDWWQQOCP-WDEREUQCSA-N 237.347 2.986 0 50 BFAA O=Cc1c(F)cc(OC(F)(F)F)cc1F 238730483 ICDAMNRFJWCCQA-UHFFFAOYSA-N 226.100 2.676 0 50 BFAA O[C@@H]1C[C@@H]2C=C[C@@H]3C=C(c4ccccc4)[C@H]1[C@@H]32 253615864 CFWGFWXYQMMSFE-XHXGSEDSSA-N 224.303 2.883 0 50 BFAA CC(C)c1noc(NC[C@@H]2C=CCC2)n1 882757905 SFJWXEGRZHGHBK-SECBINFHSA-N 207.277 2.571 0 50 BFAA FC(F)(F)C1([C@H]2CCCCN2)CCC1 1857782945 FEWQBXFTVBJYEJ-MRVPVSSYSA-N 207.239 2.861 0 50 BFAA Cc1cc(C)nc(NOCc2ccccc2)n1 300014 IZQRXPYELZNDMU-UHFFFAOYSA-N 229.283 2.637 0 50 BFAA CCOc1ccc(I)cc1 403995 VSIIHWOJPSSIDI-UHFFFAOYSA-N 248.063 2.690 0 50 BFAA in-vitro CCC[C@@H](C)NC(=O)Nc1ccccc1 409074 ZEQLEAVZSKTONP-SNVBAGLBSA-N 206.289 2.997 0 50 BFAA c1ccc2[nH]c(-c3cncs3)nc2c1 617826 GVLDOZDIEFWUJQ-UHFFFAOYSA-N 201.254 2.686 0 50 BFAA biogenic COc1ccccc1Oc1cccc(CN)c1 2513118 IWXOQZYOYPFPSG-UHFFFAOYSA-N 229.279 2.946 0 50 BFAA in-vitro O=C(O)c1ccccc1SC(F)(F)F 2560226 KYCFVGRNHSGPBJ-UHFFFAOYSA-N 222.187 2.997 0 50 BFAA in-vitro Cc1nc(NC(=O)C2CCCC2)sc1C 2738444 UJIKBYARRMKNPV-UHFFFAOYSA-N 224.329 2.889 0 50 BFAA N[C@@H]1CC2(CCCC2)Oc2ccccc21 11730119 JLJGHWLOLDSRLO-LLVKDONJSA-N 203.285 2.782 0 50 BFAA in-vitro Cc1nc(NCC2CC2)sc1-c1ccn(C)n1 12054238 BCPNWGJTVCLOJT-UHFFFAOYSA-N 248.355 2.674 0 50 BFAA O=c1sc2ccccc2n1CN1CCCCC1 19606767 IGVRPBMDBXMSIN-UHFFFAOYSA-N 248.351 2.506 0 50 BFAA CCCOc1ccc(Cl)cc1CNC 19776889 UVACKVOSSGFTAH-UHFFFAOYSA-N 213.708 2.848 0 50 BFAA O=C(Nc1cccc(F)c1)c1cccc(O)c1 19839497 MDKVUKFYELMHTJ-UHFFFAOYSA-N 231.226 2.784 0 50 BFAA NCc1ccccc1OCc1ccccc1 20352395 KOGOOCNDBVXUPW-UHFFFAOYSA-N 213.280 2.724 0 50 BFAA in-vitro N[C@H]1CSCc2ccc(Br)cc21 35269713 DNBHJHRJTJNRNF-VIFPVBQESA-N 244.157 2.696 0 50 BFAA in-vitro Cc1nn(C)c(Cl)c1C(=O)c1ccccc1 38888814 ZJXIONUUCMIROS-UHFFFAOYSA-N 234.686 2.613 0 50 BFAA COC(=O)c1ccc(C)c2ccccc12 44199669 LPLYJJXZWSVXHW-UHFFFAOYSA-N 200.237 2.935 0 50 BFAA CCOc1ccc(CCCNC(=O)CC)cc1 71376081 IYIHJVYMRIHFGQ-UHFFFAOYSA-N 235.327 2.544 0 50 BFAA Cc1ccccc1[C@H](CN)N1CCC(C)CC1 95100160 ZYKVFXBMJPZELG-HNNXBMFYSA-N 232.371 2.727 0 50 BFAA COc1ccc2c(c1)[C@@H]1C[C@]3(C(C)(C)O)[C@@H]2[C@@H]13 101052488 VBECXUHMOPAFQE-XPCVCDNBSA-N 230.307 2.667 0 50 BFAA COC(C)(C)C[C@@H](C)NC(=O)c1ccccc1C 173815839 JQOFAWIPXIBANX-GFCCVEGCSA-N 249.354 2.928 0 50 BFAA Clc1ccc2c(c1)C1(CCOCC1)CN2 236068687 KCLFGBZLSPZLSU-UHFFFAOYSA-N 223.703 2.814 0 50 BFAA Cc1ccc(-c2ccc(/C=C/C(=O)O)o2)c(N)c1 584904547 YTOWAJBTQGSEFE-QPJJXVBHSA-N 243.262 2.935 0 50 BFAA O=C(O)c1cc2ccc(-c3cnsc3)cc2[nH]1 685939399 NOCLCBFMKGISAF-UHFFFAOYSA-N 244.275 2.990 0 50 BFAA O=C(O)Cc1ccc(/C=C/Br)cc1 685964465 IJAHPTQHYVQYTN-AATRIKPKSA-N 241.084 2.679 0 50 BFAA CN1CC[C@H](Cn2ccnc2-c2cccs2)C1 709454919 MQJKPHZUJNJYGU-NSHDSACASA-N 247.367 2.563 0 50 BFAA Oc1nccc2cc(F)cc(Br)c12 1857781429 QWTGOMXUBDSMAL-UHFFFAOYSA-N 242.047 2.842 0 50 BFAA c1coc(Cn2ccnc2-c2cnsc2)c1 1875248937 YXRQWKUNEMZIIP-UHFFFAOYSA-N 231.280 2.648 0 50 BFAA Cc1ccc(-c2nccn2CC[C@H]2CCOC2)o1 1875250823 JYKHNHFOBZGHAW-LBPRGKRZSA-N 246.310 2.878 0 50 BFAA Cc1cccnc1NC(=O)c1cccs1 37553 UHFCHMSPWKZOHX-UHFFFAOYSA-N 218.281 2.704 0 50 BFAA in-vitro c1ccc(-c2cn3c(n2)SCC3)cc1 58362 ZUSMDKHVRFBRNJ-UHFFFAOYSA-N 202.282 2.656 0 50 BFAA biogenic,in-vitro COC(=O)c1ncc(Cl)c(Cl)c1Cl 139454 UPNBECMDFZBTBD-UHFFFAOYSA-N 240.473 2.828 0 50 BFAA O=C(NC1CCCCC1)NC1CCCCC1 157375 ADFXKUOMJKEIND-UHFFFAOYSA-N 224.348 2.951 0 50 BFAA biogenic,in-vivo CCN(CC)C(=O)[C@@H](C)c1ccccc1 409775 WYYLJNMMIABVJR-NSHDSACASA-N 205.301 2.659 0 50 BFAA C[C@@H](NC(=O)c1ccc(N)cc1)c1ccccc1 1438789 LRMURALCBANCSV-LLVKDONJSA-N 240.306 2.760 0 50 BFAA Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2C)o1 2772585 TWUALTHVBQUTBA-ONGXEEELSA-N 221.300 2.897 0 50 BFAA Cc1ccsc1[C@@H]1NC(=O)c2ccccc2N1 3251299 IJMUONPEFZBARK-LBPRGKRZSA-N 244.319 2.911 0 50 BFAA c1cc2n(c1)CCN[C@@H]2C1CCCCC1 3684153 OJNJQVHVKXXQRD-CYBMUJFWSA-N 204.317 2.713 0 50 BFAA O=[S@](Nc1ccccc1)c1ccccc1 4958248 VLJMBCZQJWXJAW-OAHLLOKOSA-N 217.293 2.821 0 50 BFAA O=[S@@](Cc1ccccc1)c1ccccc1 6665118 FBPGAWABXWMRAR-OAHLLOKOSA-N 216.305 2.994 0 50 BFAA Cc1ccc(NC(=O)Nc2cnccn2)cc1C 6730931 VSMKZISBNNCEER-UHFFFAOYSA-N 242.282 2.737 0 50 BFAA FC(F)(F)c1ccc(C[C@@H]2CCNC2)cc1 22200454 WPPDXXSXLYSCJH-JTQLQIEISA-N 229.245 2.857 0 50 BFAA CC(C)(C)Cc1cc(NC(=O)C(C)(C)C)[nH]n1 151699991 JGORCSIGAGSYPE-UHFFFAOYSA-N 237.347 2.983 0 50 BFAA CCC[C@@H](N)C12C[C@H]3C[C@@H](CC(CN)(C3)C1)C2 222349405 WIRGLDXYFVCGGN-XDYZINJXSA-N 236.403 2.659 0 50 BFAA Cc1cnccc1OC1CCN(CC(C)C)CC1 225587622 XHKBSCWWHVBMST-UHFFFAOYSA-N 248.370 2.889 0 50 BFAA Cc1cc(O)nc(/C=C/c2cc(F)ccc2F)n1 225792983 DLTQRIUFQMVJEJ-GORDUTHDSA-N 248.232 2.939 0 50 BFAA COc1ccc(-c2cnc3cccnn23)cc1F 1506417261 MAZKDLVIKMBLOW-UHFFFAOYSA-N 243.241 2.544 0 50 BFAA CC(C)Oc1ccc(CCN)cc1Cl 374796 IMPQKAPHOHUGHT-UHFFFAOYSA-N 213.708 2.628 0 50 BFAA CCN(CC)C(=O)c1ccc2ccccc2n1 858499 KOHAGEXLVIIGNU-UHFFFAOYSA-N 228.295 2.717 0 50 BFAA O=C(O)c1ccc(-c2cccc(O)c2)cc1 2528943 QYJXLCAJAZHPGK-UHFFFAOYSA-N 214.220 2.757 0 50 BFAA in-vitro Cc1cc(C)c(C)c(OCCCN(C)C)c1 2823371 JSDFPMQJTMWGPZ-UHFFFAOYSA-N 221.344 2.942 0 50 BFAA Cc1cc(=O)[nH]c2c(C)c(Cl)ccc12 4009888 UASKNUBMLMFPOP-UHFFFAOYSA-N 207.660 2.798 0 50 BFAA C[C@@H](C(=O)O)c1ccc(C(=O)c2ccco2)cc1 6037095 ITJUVDBADHDNPU-SECBINFHSA-N 244.246 2.699 0 50 BFAA investigational COC(=O)c1ccc(-c2cccs2)nc1 12370505 SXGLIAOLXVLUCM-UHFFFAOYSA-N 219.265 2.597 0 50 BFAA C[C@@H]1CN(C)[C@H](C)C[C@@H]1NCCc1ccccc1 33936153 KPRIEJCCTJJFOU-FMKPAKJESA-N 246.398 2.547 0 50 BFAA O=C(Cc1ccccn1)C1CCCCC1 34940312 TUHXHZSLOAQJFM-UHFFFAOYSA-N 203.285 2.774 0 50 BFAA in-vitro Cc1cc(O)cc(Br)c1C 39255051 GJVYZGLNIKGKTE-UHFFFAOYSA-N 201.063 2.772 0 50 BFAA COC(=O)c1ccc(-c2ccccc2)c(O)c1 74934355 DHKUDXSEVBBTEA-UHFFFAOYSA-N 228.247 2.846 0 50 BFAA in-vitro COc1cccc(C(F)(F)F)c1OC 85650645 JUIJOGIBDMYFSG-UHFFFAOYSA-N 206.163 2.723 0 50 BFAA CN[C@@H](C)[C@@H](Oc1ccccn1)c1ccccc1 96026549 BIAKARZBLXBSEF-SWLSCSKDSA-N 242.322 2.810 0 50 BFAA Cc1cc([C@H]2CCCN2Cc2nccs2)no1 97713456 AGXKADARCIQJDN-LLVKDONJSA-N 249.339 2.777 0 50 BFAA CC(=O)Nc1cc(Br)c(F)cc1C 115837425 BMQFMHPQZUBVGI-UHFFFAOYSA-N 246.079 2.855 0 50 BFAA C[C@H](CCO)Nc1ncc(Cl)cc1Cl 133390171 XYMWZGDZNBTDBJ-ZCFIWIBFSA-N 235.114 2.571 0 50 BFAA O=[S@](OCc1ccccc1)c1ccccc1 197399370 GTSQMEFZVYAYQK-MRXNPFEDSA-N 232.304 2.926 0 50 BFAA CC(C)COc1ncc(C(F)(F)F)cc1O 261493582 FCVJCXJDGUUDJX-UHFFFAOYSA-N 235.205 2.841 0 50 BFAA N[C@@H](c1c[nH]c2cccc(F)c12)C(F)(F)F 328599180 QHZNQJFIAMWCQX-VIFPVBQESA-N 232.180 2.869 0 50 BFAA CC1CCC(CC(=O)N2CC3(CC3)C2)CC1 334667980 DVGUSJKEUNXXLB-UHFFFAOYSA-N 221.344 2.825 0 50 BFAA CS[C@@H](CNC(=O)c1ccco1)C(C)(C)C 343429766 FWCLDKQFINLSAC-JTQLQIEISA-N 241.356 2.787 0 50 BFAA Fc1ccc(CCn2cnc(C3CC3)n2)cc1F 419048348 VOZITWJBJGGUHD-UHFFFAOYSA-N 249.264 2.676 0 50 BFAA COc1cc(OC)nc(-c2ccc(C)c(F)c2)n1 1239818922 XBYGMQGKZOBBAK-UHFFFAOYSA-N 248.257 2.608 0 50 BFAA CC[C@H](C)C(=O)Nc1cc(Cl)nnc1Cl 1875360862 KULODARIULZSRG-YFKPBYRVSA-N 248.113 2.768 0 50 BFAA Cc1nc2ccccc2c(=O)n1-c1ccccc1 133614 LGNHCOKGKIUFDW-UHFFFAOYSA-N 236.274 2.694 0 50 BFAA Cc1cc(C)n(CNc2ccc(F)cc2)n1 236015 CSWZAPGOLPQUJR-UHFFFAOYSA-N 219.263 2.709 0 50 BFAA O=CNC(Cc1ccccc1)Cc1ccccc1 270712 KOFWTKQQQJTHTD-UHFFFAOYSA-N 239.318 2.586 0 50 BFAA biogenic Cc1c(Br)c(=O)oc2ccccc12 294872 AMCMKJDOOQSYBN-UHFFFAOYSA-N 239.068 2.864 0 50 BFAA Oc1c2c(nc3cc(Cl)ccc13)OCC2 390210 UFAZOSFBULIMKV-UHFFFAOYSA-N 221.643 2.529 0 50 BFAA Cc1cccc(NC(=O)NC(C)(C)C)c1 396511 LZRHYXLXIYPGPU-UHFFFAOYSA-N 206.289 2.915 0 50 BFAA C[C@@]1(O)CCc2c(ccc3ccccc23)O1 401265 KKLSFNQVBXLPJO-AWEZNQCLSA-N 214.264 2.873 0 50 BFAA CCc1cc(Br)cc(C)c1N 570143 RPWYIXIMJZSTQX-UHFFFAOYSA-N 214.106 2.902 0 50 BFAA Cc1ccc(NC(=O)c2ccncc2)cc1 2472149 UIBTVOZOVXDOKJ-UHFFFAOYSA-N 212.252 2.642 0 50 BFAA C[C@@H](Sc1ccc(Cl)cc1)C(=O)O 3886818 NKBXBKKXOZFZPI-ZCFIWIBFSA-N 216.689 2.905 0 50 BFAA in-vitro NC1=C(N)c2ccccc2/C1=C\c1ccccc1 6694625 LSEIQGJPIHTJEM-GXDHUFHOSA-N 234.302 2.827 0 50 BFAA NC1CCC(Oc2ccc(Cl)cc2)CC1 8699536 OCHNQOMDGKGIKR-UHFFFAOYSA-N 225.719 2.989 0 50 BFAA FC(F)(F)c1ccccc1CN1CCOCC1 19633258 HJNXLHRYSGRKRY-UHFFFAOYSA-N 245.244 2.538 0 50 BFAA C1=CC[C@@H](CN2CCN(C3CCCC3)CC2)CC1 19913687 MRCGNJCHHNUUBF-OAHLLOKOSA-N 248.414 2.903 0 50 BFAA Cc1n[nH]c2cccc(Br)c12 36533416 QLPNZDSBEQBVBD-UHFFFAOYSA-N 211.062 2.634 0 50 BFAA in-vitro Cc1ccc(OCCNC(=O)C2CCCC2)cc1 45333556 NQOYJDKBDQMFJY-UHFFFAOYSA-N 247.338 2.680 0 50 BFAA Cc1nc(NCC2CCOCC2)cc(C(C)C)n1 65434031 WEZRIKDZVHBHED-UHFFFAOYSA-N 249.358 2.747 0 50 BFAA CCOc1ccc(CNC(=O)C(C)(C)C)cc1 72117324 XVDIZCVZGHJZCX-UHFFFAOYSA-N 235.327 2.748 0 50 BFAA Cc1cccc2c1c(-c1cncc(N)c1)nn2C 96140908 REYWTBGLMXZMJE-UHFFFAOYSA-N 238.294 2.526 0 50 BFAA Nc1cnc2c(F)c(F)ccc2c1Cl 165876108 RQKJDQYRLMUVOG-UHFFFAOYSA-N 214.602 2.749 0 50 BFAA CN(CCCc1nccn1C)CC1CCCCC1 215920880 KTRUGQCFTFKKRZ-UHFFFAOYSA-N 249.402 2.865 0 50 BFAA C[C@@H]1CN([C@H](C)C(=O)O)CC[C@H]1c1ccccc1 299747162 CFSFGSDZQVOUKJ-YRGRVCCFSA-N 247.338 2.585 0 50 BFAA c1ccc2[nH]c(-c3cscn3)nc2c1 73711 WJCNZQLZVWNLKY-UHFFFAOYSA-N 201.254 2.686 0 50 BFAA endogenous,world Cc1cccc(C)c1NC(=O)NC1CC1 397753 HCQVLHIDPHPCPA-UHFFFAOYSA-N 204.273 2.587 0 50 BFAA Cc1occc1C(=O)N1C[C@@H](C)C[C@H](C)C1 476878 JENVRFLBGVMGSO-UWVGGRQHSA-N 221.300 2.706 0 50 BFAA COc1ccc(CC[C@@H](O)c2ccccn2)cc1 1398959 KHBYPDWUMSADNS-OAHLLOKOSA-N 243.306 2.756 0 50 BFAA Fc1ccc(OCCCN2CCCC2)cc1 2494244 FWWQJWRYEOBYGS-UHFFFAOYSA-N 223.291 2.690 0 50 BFAA CC(=O)NCCCCCCC[C@H](C)CC(=O)O 2839274 AVTGMVQLGJWMPV-NSHDSACASA-N 243.347 2.574 0 50 BFAA O=C1CCc2c(Br)cccc2C1 4202742 DDVQSZNNPLLKCW-UHFFFAOYSA-N 225.085 2.507 0 50 BFAA c1ccc(CCCOC[C@H]2CCCNC2)cc1 12137837 CASGNHPJVUDFQO-HNNXBMFYSA-N 233.355 2.635 0 50 BFAA in-vitro O=C(O)c1nc2cc(Cl)ccc2s1 15442573 TZCPBIKLIIUHTD-UHFFFAOYSA-N 213.645 2.648 0 50 BFAA in-vitro O=C(O)c1cc(OCc2ccccc2)ccc1O 20593687 PNERJPORNFOLIT-UHFFFAOYSA-N 244.246 2.669 0 50 BFAA O=c1[nH]ccc2ccc(C(F)(F)F)cc12 33358951 BTXOPRIQIDKOLM-UHFFFAOYSA-N 213.158 2.547 0 50 BFAA O=C(OCc1ccccc1)c1cccc(O)c1 35585911 QCLMZTCDRVMSHA-UHFFFAOYSA-N 228.247 2.749 0 50 BFAA COC(=O)c1ccc2nc(Cl)sc2c1 62202929 HSTWZXJDEICJAL-UHFFFAOYSA-N 227.672 2.736 0 50 BFAA in-vitro CCOc1ccc(C(=O)NC(C)C)cc1Cl 72441889 SSXWGBZWTUWTQM-UHFFFAOYSA-N 241.718 2.877 0 50 BFAA CCCc1cc(O)n(-c2ccc(F)cc2)n1 100429032 HFIIXKCSPUZGFN-UHFFFAOYSA-N 220.247 2.670 0 50 BFAA O=C(Nc1cn[nH]c1)c1cc2cc(F)ccc2o1 117755069 RPGRUIGQILDMRN-UHFFFAOYSA-N 245.213 2.547 0 50 BFAA FC(F)(F)c1cccc([C@@]2(F)CCNC2)c1 163343776 RCVAYEMTTGYFMP-SNVBAGLBSA-N 233.208 2.864 0 50 BFAA FC1(F)CN(c2cnccc2C(F)(F)F)C1 169725745 DYHIUMNCTAVGGT-UHFFFAOYSA-N 238.159 2.556 0 50 BFAA CC(C)(C)CCN[C@H]1CCO[C@@H](C2CC2)C1 188506665 ZNGAHZONPSMLSS-QWHCGFSZSA-N 225.376 2.970 0 50 BFAA CC[C@@H](C)NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 225229438 JZPGDRPIZJGHAT-NOOOWODRSA-N 209.333 2.727 0 50 BFAA Nc1cc(Cl)c(Cl)cc1OCCF 231634138 AXMJEVCCHSJWBZ-UHFFFAOYSA-N 224.062 2.924 0 50 BFAA Cc1ccc2n[nH]cc2c1[C@H]1C[C@@H](C)CCN1 757208900 FBOCCMLEVSLRFB-TVQRCGJNSA-N 229.327 2.932 0 50 BFAA CC(C)(C)OC(=O)N1CC(C)(C)C(=O)C1(C)C 1775956731 XVXHPEIGPHOKOH-UHFFFAOYSA-N 241.331 2.611 0 50 BFAA Cc1cc(O)ccc1-c1nncc(C)c1C 1900238985 KYUKDHLVNFUZRL-UHFFFAOYSA-N 214.268 2.774 0 50 BFAA O=C(O)c1cc(Br)ccc1Cl 388444 FGERXQWKKIVFQG-UHFFFAOYSA-N 235.464 2.801 0 50 BFAA Cc1ccccc1C(=O)Nc1ncccc1C 395864 ALBQCKCKXPWSHB-UHFFFAOYSA-N 226.279 2.951 0 50 BFAA O=C(Nc1ccccn1)NC1CCCCC1 400182 OXPBPFDDWFFDNE-UHFFFAOYSA-N 219.288 2.536 0 50 BFAA O=c1[nH]c(-c2ccc(Cl)cc2)cs1 1686315 XODFWCAVOQHJFC-UHFFFAOYSA-N 211.673 2.757 0 50 BFAA in-vitro Cc1ccc2c(CC(=O)O)coc2c1C 2650680 XAWXMMAWTRIWER-UHFFFAOYSA-N 204.225 2.677 0 50 BFAA biogenic,in-vitro Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](C1CC1)N2 2731995 PQMGALGWECRSJB-RKDXNWHRSA-N 245.248 2.889 0 50 BFAA Cc1ccnc(NC(=O)Cc2ccccc2C)c1 6715571 GVJWZXHBGCHFKA-UHFFFAOYSA-N 240.306 2.880 0 50 BFAA Cc1ccc(/C=C2/SCOC2=O)cc1 22205924 VWCBWPRWDRZAMR-UXBLZVDNSA-N 206.266 2.583 0 50 BFAA CC[C@@H](O)Cn1ccnc1-c1sccc1C 65399334 QRQKPNMURMHANE-SNVBAGLBSA-N 236.340 2.691 0 50 BFAA CCCC1(NC(=O)c2cncc(Cl)c2)CC1 67867460 MHTWUEIKIXWMPV-UHFFFAOYSA-N 238.718 2.798 0 50 BFAA Nc1cc(Br)c(F)cc1Cl 72314458 JOPDUFGUFFLQSV-UHFFFAOYSA-N 224.460 2.824 0 50 BFAA in-vitro COc1ccc(C)c(F)c1Br 88388337 AJYCVXNAWRBTCZ-UHFFFAOYSA-N 219.053 2.905 0 50 BFAA COC(=O)Cc1c[nH]c2ccc(Cl)cc12 95929512 QLTNJBDKTUWQFP-UHFFFAOYSA-N 223.659 2.537 0 50 BFAA COc1ccc(-c2ccc(F)cn2)cc1 117805368 JMZIKWASFJZZIK-UHFFFAOYSA-N 203.216 2.896 0 50 BFAA CC[C@@H](N[C@H](C)CO)c1cccc(Cl)c1F 135042578 OSFACSNLGUTYCU-LDYMZIIASA-N 245.725 2.901 0 50 BFAA CCOC(=O)CCC(=O)c1c[nH]c2ccccc12 137969439 NBCHRYLOXWMPGS-UHFFFAOYSA-N 245.278 2.694 0 50 BFAA O=C([C@@H]1C[C@@H]1C1CCC1)N1CCC12CCC2 170020973 IHUMYFAKSPOQLI-VXGBXAGGSA-N 219.328 2.578 0 50 BFAA CCOc1nc(Cl)ccc1Br 238263135 WLRKRXRBKBSGLK-UHFFFAOYSA-N 236.496 2.896 0 50 BFAA CCN[C@@H](C)C(=O)c1ccccc1Cl 238285219 SSLLMDUMCHGPJN-QMMMGPOBSA-N 211.692 2.521 0 50 BFAA in-vitro c1cnc(N2CCC(c3ccsc3)CC2)cn1 275005115 OMKXUXDXBMOBMH-UHFFFAOYSA-N 245.351 2.922 0 50 BFAA O=C(Nc1nccs1)[C@@H]1CCC[C@@H](F)C1 335106667 BTXIJIZEWXAKDT-HTQZYQBOSA-N 228.292 2.610 0 50 BFAA c1cc2cc(C3=NCCS3)ccc2[nH]1 584904518 KMDSPLKUYZTKHA-UHFFFAOYSA-N 202.282 2.661 0 50 BFAA C=CC(=O)NC1(c2ccc(F)cc2F)CCC1 863971056 DBYJPPKTYQZZFT-UHFFFAOYSA-N 237.249 2.646 0 50 BFAA C=CC(=O)N[C@@H]1CCCc2c(C)cccc21 1335324035 MRZCGCZZRJIOGC-CYBMUJFWSA-N 215.296 2.675 0 50 BFAA C=CC(=O)NCc1cc(C)cc2c(C)c(C)[nH]c12 1875365971 CGRJRGWHMWXHNL-UHFFFAOYSA-N 242.322 2.895 0 50 BFAA CC[C@H]1COCc2nnc(-c3ccccc3C)n21 2100544591 AFJIXFKVTUKYOU-NSHDSACASA-N 243.310 2.735 0 50 BFAA O=C(NCc1ccco1)c1ccccc1Cl 63655 QFDLCOYOHBVXFY-UHFFFAOYSA-N 235.670 2.863 0 50 BFAA O=Cc1ccc(-n2cnc3ccccc32)cc1 168834 RAYKWSXEKZURTM-UHFFFAOYSA-N 222.247 2.838 0 50 BFAA in-vitro C[C@@H]1CC2=C(CC1(CO)CO)C(C)(C)CCC2 360708 CHMPDCQZTABMHZ-LLVKDONJSA-N 238.371 2.894 0 50 BFAA biogenic CCc1nnc(NC(=O)c2cccc(C)c2)s1 362905 SFLUUIRNLHUEOE-UHFFFAOYSA-N 247.323 2.661 0 50 BFAA O=C(O)c1ccc(Oc2ccc(O)cc2)cc1 392302 KLXPCYHWTLAVLN-UHFFFAOYSA-N 230.219 2.883 0 50 BFAA in-vitro CCC[C@H](NCC)C(=O)c1ccccc1 3631207 QQAHEGDXEXIQPR-LBPRGKRZSA-N 205.301 2.648 0 50 BFAA biogenic,in-vitro C[C@]1(C23CC4CC(CC(C4)C2)C3)CC(=O)O1 4183918 LMZMDLZDHKLEJD-IQFQURSWSA-N 220.312 2.908 0 50 BFAA Clc1ccc(CNc2ncn[nH]2)cc1Cl 5019309 IURXOAJOANHGAI-UHFFFAOYSA-N 243.097 2.724 0 50 BFAA O=C(CCC1CCCC1)NCc1ccncc1 5937098 KIWIYOWEJOCXQX-UHFFFAOYSA-N 232.327 2.668 0 50 BFAA CN(CC(=O)Nc1ccccc1)C1CCCCC1 7786574 WEMKEQUMGXGDJY-UHFFFAOYSA-N 246.354 2.890 0 50 BFAA Brc1cccc(CNC2CC2)c1 9225041 DQACTPWGWIMYOY-UHFFFAOYSA-N 226.117 2.701 0 50 BFAA in-vitro Cc1cc(C(=O)N2CCCCC2)cs1 16604626 SFZOWYOOKPVREN-UHFFFAOYSA-N 209.314 2.683 0 50 BFAA O=C1Nc2ccccc2/C1=C/NC1CCCC1 16675887 SFAQZMKBBYUSJW-XFXZXTDPSA-N 228.295 2.512 0 50 BFAA CCOC(=O)[C@H]1CCCCCCCCC1=O 39250365 VBWUFKFOEMFRHF-NSHDSACASA-N 226.316 2.869 0 50 BFAA COc1ccc(-c2ccc(C(=O)O)c(F)c2)cn1 44272126 KWZDUJBEZOVBRB-UHFFFAOYSA-N 247.225 2.595 0 50 BFAA in-vitro CC(C)Cc1nc2c(cnn2CC(C)C)[nH]1 48159139 DIFJBMPUWGAPNU-UHFFFAOYSA-N 220.320 2.614 0 50 BFAA CN(C)C(=O)c1cccc(Oc2ccccc2)n1 71782507 VZFSLBULSUSCAX-UHFFFAOYSA-N 242.278 2.576 0 50 BFAA O=C(O)c1cccc2sc(Cl)nc12 95100054 CZKIDVYMBRVQBU-UHFFFAOYSA-N 213.645 2.648 0 50 BFAA CN(C(=O)C1CCCCCCC1)c1cn[nH]c1 170017694 XQCOTKDQESYWIC-UHFFFAOYSA-N 235.331 2.733 0 50 BFAA FC(F)Oc1cncc(C(F)(F)F)c1 263623117 DTYDGNOXXLVOSA-UHFFFAOYSA-N 213.105 2.702 0 50 BFAA Nc1cccc(OC(F)F)c1C(F)(F)F 263625319 YRPSUAMNIRVGAY-UHFFFAOYSA-N 227.132 2.889 0 50 BFAA Cc1cc(C)cc(C(=O)Nc2ccnc(C)n2)c1 334291850 DWHDNJUTBGZMOM-UHFFFAOYSA-N 241.294 2.654 0 50 BFAA Cc1ccc(-c2cccc(O)c2F)cn1 725270980 WPDIVPDKOGIVHG-UHFFFAOYSA-N 203.216 2.902 0 50 BFAA COCC1(CNc2ncc(C(C)C)cn2)CCC1 952862873 REPXTGCFOXQEAI-UHFFFAOYSA-N 249.358 2.829 0 50 BFAA CCN(CCn1cccn1)C[C@@H]1CC=CCC1 952868239 GVPIJWOJGYRCBW-CQSZACIVSA-N 233.359 2.561 0 50 BFAA NCc1cc(-c2ccc3c[nH]nc3c2)ccc1F 1875290176 CTQDRQMYENNNSU-UHFFFAOYSA-N 241.269 2.828 0 50 BFAA CC(C)[C@@H]1C[C@H](c2csc(N)n2)CCO1 191485 JXYPLQDIDJLTJJ-SCZZXKLOSA-N 226.345 2.644 0 50 BFAA CSc1nc(O)c2cc(Cl)ccc2n1 987789 WBHDGAJKTITYKJ-UHFFFAOYSA-N 226.688 2.711 0 50 BFAA COc1ccc(Cc2ccccc2C(=O)O)cc1 1679979 JRGIOJQESXVHDO-UHFFFAOYSA-N 242.274 2.984 0 50 BFAA O=C(O)c1ccc(Cl)cc1Br 2013305 USMQLFCVCDEXAK-UHFFFAOYSA-N 235.464 2.801 0 50 BFAA in-vitro CCCCNCCCOc1ccccc1OC 2901750 FCVRPVCNMLFARW-UHFFFAOYSA-N 237.343 2.854 0 50 BFAA CCN(CC)CCCOc1cccc(OC)c1 3681025 BZNSVGZEGZCBJR-UHFFFAOYSA-N 237.343 2.806 0 50 BFAA Cc1ccc(-c2[nH]ncc2C=O)c(C)c1 8737741 SRRBPFXGBKWPAA-UHFFFAOYSA-N 200.241 2.506 0 50 BFAA in-vitro Cc1cnc(-c2cccc3cnccc23)nc1N 20599404 SOCUHEYSFUVRGQ-UHFFFAOYSA-N 236.278 2.582 0 50 BFAA C1=CC[C@@H](CN2CCC(N3CCCC3)CC2)CC1 20994861 VIJZKYQCMHJDAQ-OAHLLOKOSA-N 248.414 2.903 0 50 BFAA COc1cccc(C)c1Br 36438625 ZPXCHEDAXFJYBZ-UHFFFAOYSA-N 201.063 2.766 0 50 BFAA in-vitro CCOc1cc(OC)c(Cl)c(N)c1Cl 44126592 NXRRNOPUNBDMNP-UHFFFAOYSA-N 236.098 2.983 0 50 BFAA CN(C)CC[C@@H]1CCC[C@H]2CCCC[C@H]1N2C 45027644 XRCBEMFZCKZRLZ-RRFJBIMHSA-N 238.419 2.981 0 50 BFAA O=c1cc(-c2cc(F)cc(Cl)c2)cc[nH]1 65339282 JJTPIURGNYLXEO-UHFFFAOYSA-N 223.634 2.834 0 50 BFAA in-vitro O=C(O)c1cc(-c2ccccc2O)cs1 65340027 NAEFBFBTJJDWFC-UHFFFAOYSA-N 220.249 2.819 0 50 BFAA in-vitro O=Cc1ccc(F)cc1OC(F)(F)F 71624484 KZUNURBZYZYVMT-UHFFFAOYSA-N 208.110 2.537 0 50 BFAA in-vitro O=C1CCc2ccccc2N1C[C@H]1CCCCO1 95508664 MANPTXJQICJWEI-CYBMUJFWSA-N 245.322 2.535 0 50 BFAA CSC1=NCCN1c1c(C)cccc1C 96027724 DOVRPOYFLSDOGN-UHFFFAOYSA-N 220.341 2.842 0 50 BFAA CN(C)C1(c2cccc(F)c2)CCC(=O)CC1 114003153 KBSNWMBGOWOJDD-UHFFFAOYSA-N 235.302 2.726 0 50 BFAA Oc1ccc(Cl)c(Br)c1F 200652174 JQMAPPWTCOOFQB-UHFFFAOYSA-N 225.444 2.947 0 50 BFAA CN(C)c1cc(C(F)(F)F)ccc1C=O 299890363 YHIZJGDITCALNC-UHFFFAOYSA-N 217.190 2.584 0 50 BFAA Cn1cnc(-c2ccc(Cl)cc2Cl)n1 426403448 DLUKXAGMPROYCI-UHFFFAOYSA-N 228.082 2.789 0 50 BFAA C=CC(=O)Nc1cc(C)nn1[C@@H]1C[C@H]2CC[C@H]1C2 863971001 AMBNQJRFISNJGS-SDDRHHMPSA-N 245.326 2.677 0 50 BFAA CCOC(=O)Cc1ccc(-c2cnc(C)o2)cc1 871887248 LDPNRVLTBGDPJO-UHFFFAOYSA-N 245.278 2.756 0 50 BFAA O=c1[nH]nc(-c2ccc(F)cc2)c2ccccc12 125923 ZMXMVYKPVMNLOJ-UHFFFAOYSA-N 240.237 2.729 0 50 BFAA Cc1cc(C)nc(Sc2ccc(N)cc2)n1 154221 FPLNYQRUEFPJPX-UHFFFAOYSA-N 231.324 2.827 0 50 BFAA Cc1cccc(NC(=O)c2ccc(F)cc2)n1 290685 CPNVTAMSBBMJQP-UHFFFAOYSA-N 230.242 2.781 0 50 BFAA COc1cccc(NC(=O)N2CCCCC2)c1 396473 HSFMGYFRIYELAG-UHFFFAOYSA-N 234.299 2.713 0 50 BFAA Cc1ccc(C(=O)Nc2ccccc2CO)cc1 446395 FKTAXQHTXDMZQA-UHFFFAOYSA-N 241.290 2.740 0 50 BFAA CCCCNC(=O)Nc1ccc(N(C)C)cc1 1640215 ZSSKYRGOULPQFE-UHFFFAOYSA-N 235.331 2.674 0 50 BFAA OCc1ccc(C(F)(F)F)c(Cl)c1 2540214 ILMGAIHSRGUIOL-UHFFFAOYSA-N 210.582 2.851 0 50 BFAA in-vitro O=Cc1ccc(COc2ccc(F)cc2F)o1 2578422 ACPDVQWJOBDFHZ-UHFFFAOYSA-N 238.189 2.949 0 50 BFAA CCOC(=O)C(=O)Nc1ccccc1[C@@H](C)CC 2747915 QQLAHVIBAXZEFX-JTQLQIEISA-N 249.310 2.702 0 50 BFAA O=C1Nc2ccccc2/C1=C/c1ccccn1 4115555 YKQONSWBHGBDSB-XFXZXTDPSA-N 222.247 2.574 0 50 BFAA CCCOc1ccc(NC(=O)CC)cc1 4747007 KLSOQOUVXZTSBM-UHFFFAOYSA-N 207.273 2.824 0 50 BFAA CCCCNCc1ccc(OCC)cc1 6701505 UYANRSWQBKYOAH-UHFFFAOYSA-N 207.317 2.975 0 50 BFAA S=C(NCc1ccccc1)Nc1cccnc1 7526199 ZIERMWDJPNPBBH-UHFFFAOYSA-N 243.335 2.568 0 50 BFAA S=c1nc[nH]c2c1[nH]c1ccccc12 13111878 YMNTVDMKBNZRJH-UHFFFAOYSA-N 201.254 2.774 0 50 BFAA O=Cc1ccccc1OC(=O)c1ccccc1 14016981 QXWQQPAHKZSMRJ-UHFFFAOYSA-N 226.231 2.718 0 50 BFAA O=Cc1cc(Cl)ncc1C(F)(F)F 14982501 TUIUCTUSVSDRSW-UHFFFAOYSA-N 209.554 2.566 0 50 BFAA in-vitro N=C(N)Nc1cccc(Oc2ccccc2)c1 26637207 YWWKTHBYXSAYQE-UHFFFAOYSA-N 227.267 2.784 0 50 BFAA COc1cc(-c2cccnc2)ccc1NC(C)=O 32580940 GXNMTKRQJUMBMD-UHFFFAOYSA-N 242.278 2.716 0 50 BFAA CC(=O)c1ccc(C(=O)OC(C)(C)C)cc1 34165630 QXQXBZLXIAUIBG-UHFFFAOYSA-N 220.268 2.845 0 50 BFAA in-vitro Cc1nc2cc(OC3CCNCC3)ccc2s1 35287356 SYSNJAAHMUCGJL-UHFFFAOYSA-N 248.351 2.736 0 50 BFAA C[C@@H](O)c1nc2cc(C(F)(F)F)ccc2n1C 40410247 BRURGSKWINBYTO-ZCFIWIBFSA-N 244.216 2.645 0 50 BFAA in-vitro O[C@H](c1c(F)cc(F)cc1F)C(F)(F)F 41661870 BQWMNKFPOUZELU-SSDOTTSWSA-N 230.107 2.700 0 50 BFAA COc1ccc(CNc2cncc(Cl)n2)cc1 43534402 XGBYFYFDBIZTCF-UHFFFAOYSA-N 249.701 2.751 0 50 BFAA Oc1cc(Br)ccc1-c1ccno1 44672057 YJGJGKRRLVASSN-UHFFFAOYSA-N 240.056 2.810 0 50 BFAA C[C@@H]1CNc2cc(Br)ccc2O1 62529549 VJWHRBJNHZTLQF-ZCFIWIBFSA-N 228.089 2.642 0 50 BFAA in-vitro CC(C)=CCN1CC[C@@]2(CCCO2)CCC1=O 71756786 OEEDFXBOSVZPTE-CQSZACIVSA-N 237.343 2.514 0 50 BFAA NCc1ccc(Cl)c(Br)c1 82046448 PMDDWYNMBRTBOA-UHFFFAOYSA-N 220.497 2.561 0 50 BFAA CC(=O)CC(=O)c1c(C)cc(C)cc1C 100028020 MBZZDUHWYNESIY-UHFFFAOYSA-N 204.269 2.774 0 50 BFAA in-vitro Fc1ccc(Br)nc1OC(F)F 263624991 VVDFZYWQLBIUEW-UHFFFAOYSA-N 241.994 2.585 0 50 BFAA CC1(C)OCC[C@H]1Nc1ncnc2ccccc12 296421201 XMFWEMODGVVGBR-GFCCVEGCSA-N 243.310 2.609 0 50 BFAA C[C@H](CC(F)F)C(=O)N1CCCCCC1 334802778 BPFFLMGNQYYNHM-SECBINFHSA-N 219.275 2.680 0 50 BFAA CCc1cc(C(=O)O)cc(C(F)(F)F)c1 382675980 RCJSGIMCGUSGQO-UHFFFAOYSA-N 218.174 2.966 0 50 BFAA Cc1ccc(-c2noc(C(F)F)c2C(=O)O)o1 675057767 OBGOVXYBEPQDDL-UHFFFAOYSA-N 243.165 2.879 0 50 BFAA O=C(Nc1nc2ccc(Cl)cc2[nH]1)C1CC1 874693183 SZBKUSXONGZPKX-UHFFFAOYSA-N 235.674 2.565 0 50 BFAA O=Cc1cc(Cl)cc(Br)c1O 122906 KNOYZLVIXXBBIB-UHFFFAOYSA-N 235.464 2.621 0 50 BFAA in-vitro O=C(Nc1ccc(O)cc1)c1ccccc1 406310 CVPWYDXAVJCNAG-UHFFFAOYSA-N 213.236 2.645 0 50 BFAA in-vitro CC[C@@H](C)NC(=O)/C=C/c1ccc(C)cc1 475284 OKXKPRVYJURGPX-BZYZDCJZSA-N 217.312 2.923 0 50 BFAA Cc1ccc(C(=O)Nc2ncccn2)cc1Cl 614229 WFMXKVHHCJPADF-UHFFFAOYSA-N 247.685 2.691 0 50 BFAA CC[C@@H](C)c1ccccc1NC(=O)COC 860095 MMTDCPLVFOSBLJ-SNVBAGLBSA-N 221.300 2.785 0 50 BFAA CCCOC(=O)c1c(N)sc2c1CCCC2 2565520 PADGJVHWIWPICX-UHFFFAOYSA-N 239.340 2.776 0 50 BFAA in-vitro CCc1ccc(N)c(Br)c1 2567829 UNXYMQGCZRBOMI-UHFFFAOYSA-N 200.079 2.594 0 50 BFAA Cc1nc([C@@H](C(=O)O)c2ccccc2)cs1 4840166 NZZPQODMRIZZFI-NSHDSACASA-N 233.292 2.668 0 50 BFAA CC[C@H](C)NC(=O)[C@@H](C)Oc1ccc(C)cc1 13001585 AORSHQLOSLDSTP-NWDGAFQWSA-N 235.327 2.677 0 50 BFAA CC(C)Oc1ccc(C=O)cc1Cn1cccn1 13424678 IPISKFFBJGWHOW-UHFFFAOYSA-N 244.294 2.531 0 50 BFAA O=Cc1ccc(-c2ccc(O)cc2)s1 16948118 CTJUQMCNJMQHLD-UHFFFAOYSA-N 204.250 2.933 0 50 BFAA in-vitro CC(C)c1nc(-c2ccc(C(=O)O)cc2)no1 19091256 ZUZOSTFYGLSNRP-UHFFFAOYSA-N 232.239 2.558 0 50 BFAA in-vitro Cc1onc(-c2ccc(Cl)cc2)c1CO 19948382 VEOYSJHJAJGBDV-UHFFFAOYSA-N 223.659 2.796 0 50 BFAA in-vitro Cc1nc2c(Br)cccc2[nH]1 34750393 HQNGOOZSFZDLKJ-UHFFFAOYSA-N 211.062 2.634 0 50 BFAA in-vitro COc1c(C)cccc1Br 39193345 VUIUOSKXGNEORM-UHFFFAOYSA-N 201.063 2.766 0 50 BFAA in-vitro CCCc1nccn1-c1ccc([C@H](C)O)cc1 65383156 RGYJQOQXAIRAPL-NSHDSACASA-N 230.311 2.878 0 50 BFAA CC(=O)NCc1cccc(-c2ccc(O)cc2)c1 67604880 YGDRAQWKCKIQIA-UHFFFAOYSA-N 241.290 2.695 0 50 BFAA CC[C@H](C)NC(=O)Cc1ccc(Cl)cc1F 72117883 WQFUALMHPJFIAP-QMMMGPOBSA-N 243.709 2.936 0 50 BFAA COC(=O)c1cccc2c1OC(C)(C)CC2 114362796 YWZWQQRLUNITNE-UHFFFAOYSA-N 220.268 2.577 0 50 BFAA c1csc(-c2nccn2Cc2ccon2)c1 179714655 NETCRFVJSHHOAL-UHFFFAOYSA-N 231.280 2.648 0 50 BFAA Cc1cc(CN[C@H]2CCC23CCCC3)on1 189113356 IWLDMABZMMNTPX-LBPRGKRZSA-N 220.316 2.795 0 50 BFAA Oc1nc([C@@H]2CCCCO2)nc2ccccc12 1616036316 ITNDIQWGVRHHOH-NSHDSACASA-N 230.267 2.577 0 50 BFAA CCc1ncsc1-c1cnc2[nH]c(C)nc2c1 2325852808 UBWYSVBRBYPCMY-UHFFFAOYSA-N 244.323 2.952 0 50 BFAA C[C@](O)(c1ccccc1)[C@@](C)(O)c1ccccc1 42834 URPRLFISKOCZHR-HOTGVXAUSA-N 242.318 2.802 0 50 BFAA biogenic CC(C)(C)N1C[C@@H](COc2ccccc2)OC1=O 50035 KXKQKMIBWVMCKO-LBPRGKRZSA-N 249.310 2.685 0 50 BFAA Cc1cccc(NC(=O)CC(C)(C)C)n1 68313 QARLFLZDHLPCKB-UHFFFAOYSA-N 206.289 2.765 0 50 BFAA CC(=O)c1ccc(N2CCCCC2)cc1 119311 JCMZZYSPSGHBNM-UHFFFAOYSA-N 203.285 2.880 0 50 BFAA in-vitro CCC[C@@]1(C)N=C(S)N(c2ccccc2)N1 220303 QKKUXAIKMXQCLZ-LBPRGKRZSA-N 235.356 2.813 0 50 BFAA O=C(OCc1ccccc1)c1ccccc1O 388079 ZCTQGTTXIYCGGC-UHFFFAOYSA-N 228.247 2.749 0 50 BFAA endogenous,in-man COC(=O)c1cc2cccc(OC)c2cc1OC 1431545 FLXZIIPKKOBHKU-UHFFFAOYSA-N 246.262 2.644 0 50 BFAA O=C(O)CC[C@]1(c2ccccc2)CCCCC1=O 3639177 ZDCBPGXPFYLDBZ-HNNXBMFYSA-N 246.306 2.932 0 50 BFAA O=C(NCCOc1ccccc1)c1cccs1 3661705 ZMLQLFAMGITLTO-UHFFFAOYSA-N 247.319 2.557 0 50 BFAA CCOCCC(=O)Nc1ccc(Cl)cc1 4808412 ZUYPWOIDBOTYKY-UHFFFAOYSA-N 227.691 2.705 0 50 BFAA CCCOc1cc(OCC)ccc1C=O 5591294 DWKVNHQESWPIAI-UHFFFAOYSA-N 208.257 2.687 0 50 BFAA CC(C)(C)Cc1nc(-c2cccnc2)no1 6697216 IAPYVBRLOIBGAA-UHFFFAOYSA-N 217.272 2.720 0 50 BFAA O=Cc1c[nH]c2c(Br)cccc12 8700556 MGPMWCBAOQWENZ-UHFFFAOYSA-N 224.057 2.743 0 50 BFAA CCCC(=O)Nc1cccc(NC(=O)CC)c1 9229921 HIIBPOXVDYHVMB-UHFFFAOYSA-N 234.299 2.774 0 50 BFAA CN(Cc1ccccc1)Cc1ccc(C(=O)O)o1 11890249 ZRNYKCIHBPTVOT-UHFFFAOYSA-N 245.278 2.610 0 50 BFAA CSc1nc(C)cc(NCc2cccnc2)n1 11907711 VBMJPHKCRWJDLO-UHFFFAOYSA-N 246.339 2.514 0 50 BFAA CC[C@@H](C)[C@@H](C(=O)OC)c1ccccc1 35100074 DEMNWNQRDYJAFU-ZYHUDNBSSA-N 206.285 2.989 0 50 BFAA Fc1cccc(I)c1F 58129799 QXVGWYWOARYLCY-UHFFFAOYSA-N 239.990 2.569 0 50 BFAA in-vitro CC(C)(O)c1cc(Br)ccc1F 75845869 RUKMQKCIOJEAKN-UHFFFAOYSA-N 233.080 2.816 0 50 BFAA CC(=O)Nc1cc(F)c(Br)cc1C 89157361 KCEWAUIVDCPPQJ-UHFFFAOYSA-N 246.079 2.855 0 50 BFAA in-vitro Cn1c2ccc(C=O)cc2c2cc(C=O)ccc21 142211332 ADDBIFUIFFYIQN-UHFFFAOYSA-N 237.258 2.957 0 50 BFAA c1ccc(C2=N[C@H]3c4ccccc4C[C@H]3O2)nc1 209959930 JPCAXHBKQLBOJG-KGLIPLIRSA-N 236.274 2.524 0 50 BFAA CCCc1noc(CN2CCC[C@H]3CCC[C@H]32)n1 230090169 ISQKEPXUBDYLPP-VXGBXAGGSA-N 249.358 2.787 0 50 BFAA CC[C@@H](c1ccccc1)[C@@H]1CCCN1CC(=O)O 237029032 LSXKWPWKWQZJNU-KBPBESRZSA-N 247.338 2.729 0 50 BFAA O=Cc1c[nH]c2c(F)c(Br)ccc12 238553949 ZNECZMOHHMKYNR-UHFFFAOYSA-N 242.047 2.882 0 50 BFAA O=C(Nc1ccc2nc[nH]c2c1)[C@@H]1C[C@@H]1C1CC1 333065597 TYFCDTLZYYBMEV-GHMZBOCLSA-N 241.294 2.548 0 50 BFAA CC(C)n1nccc1-c1ccc(N(C)C)nc1 426493014 AAXGBJATLQQTEO-UHFFFAOYSA-N 230.315 2.592 0 50 BFAA O=C(O)c1cc(Cl)c2ncccc2c1F 757071346 OPWFYFGZRSGXMY-UHFFFAOYSA-N 225.606 2.726 0 50 BFAA O=C(O)C=Cc1ccc(F)cc1Br 1857790695 KCEJGSKYYLDTNE-UHFFFAOYSA-N 245.047 2.686 0 50 BFAA O=C(O)Cc1cc(-c2cccc(O)c2)cs1 2325851880 LSFAYHKQWBPELA-UHFFFAOYSA-N 234.276 2.748 0 50 BFAA COc1cc(OC)cc(-c2ccc(O)c(C)n2)c1 2356138948 SVRLVKNZZHHZIQ-UHFFFAOYSA-N 245.278 2.780 0 50 BFAA CC(C)CC(=O)Nc1ccc(Cl)cn1 30490 GUPVRROTWVLOQT-UHFFFAOYSA-N 212.680 2.720 0 50 BFAA FC(F)(F)c1ccccc1-n1ccnc1 156214 WZBWBNCQUTXYEL-UHFFFAOYSA-N 212.174 2.891 0 50 BFAA biogenic,in-vitro Cc1ccc(C)c(CN(C)C2CCN(C)CC2)c1 239495 PSMROOAGWVVFEK-UHFFFAOYSA-N 246.398 2.829 0 50 BFAA CSc1ccccc1C(=O)NC(C)(C)C 582881 KCEZCTGOCYYSSX-UHFFFAOYSA-N 223.341 2.937 0 50 BFAA CCOC(=O)[C@@H](C(=O)c1ccccc1)C(C)C 2036452 MYNNDDSZHBOSOL-GFCCVEGCSA-N 234.295 2.705 0 50 BFAA COCCNCCSc1ccc(Cl)cc1 2510382 VMGANARCKAZUFT-UHFFFAOYSA-N 245.775 2.668 0 50 BFAA O=C(O)CCCC(=O)c1ccc(Cl)s1 4253768 DJQOCQPXZYBTPA-UHFFFAOYSA-N 232.688 2.839 0 50 BFAA CCNCCOc1ccc2ccccc2c1 6703089 MDPWQHVRPJPNLM-UHFFFAOYSA-N 215.296 2.828 0 50 BFAA Cc1scc(C(=O)Nc2ccon2)c1C 13745840 HZCBTAYZHBVGDV-UHFFFAOYSA-N 222.269 2.605 0 50 BFAA N[C@H]1CCCCN(Cc2cc3ccccc3o2)C1 82098934 JGAYMITXXGMPHD-ZDUSSCGKSA-N 244.338 2.746 0 50 BFAA C=C[Si](C)(C)c1ccc([Si](C)(C)C=C)cc1 169806229 VLNRSEGRGSDKLS-UHFFFAOYSA-N 246.502 2.968 0 50 BFAA O=Cc1nccc2cc(Br)ccc12 211642396 NBMWJEJAUHWLSS-UHFFFAOYSA-N 236.068 2.810 0 50 BFAA O=c1cc[nH]c(/C=C/c2sccc2Cl)n1 225588718 SGLTXNGPRPKFMB-OWOJBTEDSA-N 238.699 2.655 0 50 BFAA Oc1ccc(Oc2cccc(F)c2)nc1 238728345 ZNNOGOALYVWAIR-UHFFFAOYSA-N 205.188 2.719 0 50 BFAA CCc1ccc(CN(C)C[C@@H]2CCCOC2)nc1 244701069 JZQROMXEKMBIPN-AWEZNQCLSA-N 248.370 2.502 0 50 BFAA CC(C)(C)OC(=O)Nc1ccc2c(c1)CC(=O)C2 498051091 OVCTXXNAXKQGJA-UHFFFAOYSA-N 247.294 2.701 0 50 BFAA C=CC(=O)N1CCCCc2c(OC)cccc21 863971349 PVMGNNPCWNAIKD-UHFFFAOYSA-N 231.295 2.551 0 50 BFAA CN(C)c1ncccc1-c1ccc2c(c1)OCO2 1240901498 VLPBQTYXOLOMKT-UHFFFAOYSA-N 242.278 2.543 0 50 BFAA CCCc1cnc(C)nc1N1C[C@H]2C[C@@]2(C)C1 1772807559 PAVDFFXXQQKFLK-OCCSQVGLSA-N 231.343 2.584 0 50 BFAA c1ccc(-c2ccc3nsnc3c2)nc1 1875340383 YPRAPIGWJBZVON-UHFFFAOYSA-N 213.265 2.753 0 50 BFAA c1ccc2ncc(-c3cnc4cnccn34)cc2c1 2100547839 OBNBGTMKYURJOM-UHFFFAOYSA-N 246.273 2.945 0 50 BFAA Cc1cccc(NC(=O)[C@H](O)c2ccccc2)c1 238129 KDQLRKCTZXGNPJ-CQSZACIVSA-N 241.290 2.667 0 50 BFAA CC(=O)Nc1cccc2ccc(O)cc12 394165 ALNWQAFPXMGLTJ-UHFFFAOYSA-N 201.225 2.504 0 50 BFAA biogenic Clc1ccc2c(N3CCOCC3)ccnc2c1 572903 KWLAFRCMKAMRKK-UHFFFAOYSA-N 248.713 2.725 0 50 BFAA Cc1cc(N)nc(CNc2ccc(Cl)cc2)n1 615130 GELSSZDYHBSLER-UHFFFAOYSA-N 248.717 2.633 0 50 BFAA O=C(CN1CCCCCC1)c1ccccc1 758136 QRYNIYTZIMWGTP-UHFFFAOYSA-N 217.312 2.745 0 50 BFAA NC(=S)c1c(Cl)cccc1Cl 900732 KGKGSIUWJCAFPX-UHFFFAOYSA-N 206.097 2.628 0 50 BFAA biogenic,in-vitro O=[N+]([O-])/C=C/c1ccccc1Br 1688696 QKFDNZXJABSGIO-AATRIKPKSA-N 228.045 2.697 0 50 BFAA OCCNc1c2c(nc3ccccc13)CCCC2 2484358 STBFRYOMWBQZCF-UHFFFAOYSA-N 242.322 2.518 0 50 BFAA O=Cc1ccc(-c2cc(F)ccc2F)nc1 2527592 XDOIGFWRKIWPCR-UHFFFAOYSA-N 219.190 2.839 0 50 BFAA Fc1ccccc1OCCCNCc1ccco1 3002195 HVPLLONCFHUFSJ-UHFFFAOYSA-N 249.285 2.977 0 50 BFAA C[C@@H]1CCCN(Cn2cnc3ccccc32)C1 3623177 IKXMHSUGZWDQCW-GFCCVEGCSA-N 229.327 2.726 0 50 BFAA Fc1ccccc1OCCNC1CCCC1 5013399 AMVRJLZETIMKBR-UHFFFAOYSA-N 223.291 2.737 0 50 BFAA NC[C@H]1C[C@H]1c1ccccc1Br 34893489 WYOKWGHFWKWDEZ-VXNVDRBHSA-N 226.117 2.511 0 50 BFAA C[C@H]1CN(C2CCCCCC2)C[C@H](C)O1 71932229 BFECLFVABJFORV-RYUDHWBXSA-N 211.349 2.818 0 50 BFAA CC(C)N(C(=O)c1cccc(N)c1)C(C)C 85483146 RUUVNNMTPOLLLQ-UHFFFAOYSA-N 220.316 2.528 0 50 BFAA in-vitro Cc1cccc(-c2nc([C@H]3CCOC3)no2)c1F 96147930 CVERZNUVWADDEY-VIFPVBQESA-N 248.257 2.688 0 50 BFAA CCCC[C@@H](Oc1cc(F)cc(F)c1)C(=O)O 132348985 CSQFANYPZGVYIQ-LLVKDONJSA-N 244.237 2.987 0 50 BFAA CC1CCN(c2cccc(CCC(=O)O)c2)CC1 134690217 YQQALLQUKWUYGZ-UHFFFAOYSA-N 247.338 2.940 0 50 BFAA Cc1ccc2c(C)c(C(=O)O)sc2n1 170090990 SVACPAYDZRMRNE-UHFFFAOYSA-N 207.254 2.611 0 50 BFAA C[C@H]1CCc2c(O)nc([C@H]3CC3(C)C)nc21 1776004479 SEZRMWJYLLEKTG-IONNQARKSA-N 218.300 2.745 0 50 BFAA C=CC(=O)Nc1cc(F)ccc1OCCC 1875368229 ABODPZVHPVOUHG-UHFFFAOYSA-N 223.247 2.739 0 50 BFAA Cc1cnnc(-c2cccc3c2OCC3)c1C 2100545632 ZGZVNQVOBYVQRG-UHFFFAOYSA-N 226.279 2.695 0 50 BFAA COc1ccc(CN2CCCCC2)c(OC)c1C 277768 OERUJNBCSZUTOF-UHFFFAOYSA-N 249.354 2.998 0 50 BFAA CN(Cc1ccccc1)C(=O)NC(C)(C)C 398769 CNXDJYKMOUWVSR-UHFFFAOYSA-N 220.316 2.627 0 50 BFAA COc1ccc2c(c1)C(=O)c1ccccc1-2 405089 QNBZCSMULZKFNV-UHFFFAOYSA-N 210.232 2.907 0 50 BFAA Cc1cc(C)n(CNc2ccccc2)n1 409859 KOZVYEGVSKJDLO-UHFFFAOYSA-N 201.273 2.570 0 50 BFAA CC[C@H](C)NC(=O)c1cc(C)ccc1C 514728 DVDUWQXQKKZIAS-NSHDSACASA-N 205.301 2.832 0 50 BFAA CCCCCCOC(=O)c1cccnc1 1698697 RVYGVBZGSFLJKH-UHFFFAOYSA-N 207.273 2.819 0 50 BFAA in-vitro NCc1cccc(C(F)(F)F)c1Cl 2528373 GRFVQNWTQVWNBY-UHFFFAOYSA-N 209.598 2.818 0 50 BFAA in-vitro CC1=C[C@H](C(=O)Nc2ccccc2)CCO1 6272894 RVUAOAREEJAWAM-LLVKDONJSA-N 217.268 2.565 0 50 BFAA C[C@H]1CCCN(Cc2ccc(C(=O)O)cc2)C1 8730784 FZWOQSMZYPCVNM-NSHDSACASA-N 233.311 2.617 0 50 BFAA Cc1cc(Cl)cc2cc(C(=O)O)[nH]c12 12404827 KCHVBNGYTXIUNL-UHFFFAOYSA-N 209.632 2.828 0 50 BFAA CC1(C)C=Cc2cc(C(=O)O)ccc2O1 15119467 AXICIBPYBONRSP-UHFFFAOYSA-N 204.225 2.569 0 50 BFAA endogenous,in-man CCN(CC)CCN(C)C[C@@H]1CC=CCC1 19634041 JMUOSMWJHAUVRN-CQSZACIVSA-N 224.392 2.616 0 50 BFAA O=Cc1c(Cl)cccc1Br 26545145 NUGMENVSVAURGO-UHFFFAOYSA-N 219.465 2.915 0 50 BFAA in-vitro COc1cccc(-c2ccc(C(C)=O)cn2)c1 40448162 OHOYOTBPINKVLQ-UHFFFAOYSA-N 227.263 2.960 0 50 BFAA N[C@H]1CCc2c1cccc2C(F)(F)F 83428745 PRXYRXUXPMGIBU-VIFPVBQESA-N 201.191 2.651 0 50 BFAA CN(CCCC(=O)O)Cc1cc2ccccc2o1 86802098 JHYMZNUDHAJIJU-UHFFFAOYSA-N 247.294 2.729 0 50 BFAA O=Cc1c(S)cccc1Br 218734990 NPCYEEHJMQUPOK-UHFFFAOYSA-N 217.087 2.550 0 50 BFAA COC(=O)c1ccc(Cl)nc1C(F)(F)F 238389907 FBQPIQQTNZRGPI-UHFFFAOYSA-N 239.580 2.540 0 50 BFAA C[C@@H]1C[C@H](O)[C@@H]2C=C(Cl)C=C[C@H]2S1 252427698 CDLMBTLYJNUUMV-DOWZNPNQSA-N 216.733 2.550 0 50 BFAA CC[C@H](C)C[C@@H](C)Nc1nc(C)cc(O)n1 1614456589 MBDRENWNANXXOI-DTWKUNHWSA-N 223.320 2.727 0 50 BFAA Sc1nc2cc(Br)cnc2s1 1772717775 ZVHAALPCUKMHDF-UHFFFAOYSA-N 247.142 2.743 0 50 BFAA COc1ccc(Oc2ccc(C)nc2)cn1 1800413136 BQBKDTPTWCLHJV-UHFFFAOYSA-N 216.240 2.586 0 50 BFAA C=CC(=O)Nc1ccc(Cl)c(COC)c1 1875368427 QPKZNOPOOBHSLN-UHFFFAOYSA-N 225.675 2.611 0 50 BFAA COc1ccc(-c2ccc(C(=O)O)o2)cc1 409416 YEBLYHKPTQJGEC-UHFFFAOYSA-N 218.208 2.653 0 50 BFAA in-vitro CCCCC(=O)NC(=O)Nc1ccc(F)cc1 2141533 XDVBVQDZLZYGRD-UHFFFAOYSA-N 238.262 2.664 0 50 BFAA O=C(NCCc1cccc(Cl)c1)c1ccco1 2757027 ISMJDFGLGBHATH-UHFFFAOYSA-N 249.697 2.906 0 50 BFAA CCOc1ccccc1OCCN(CC)CC 5794644 ZUMMAMRGHNJQES-UHFFFAOYSA-N 237.343 2.806 0 50 BFAA O=Cc1cc2ccc(Br)cc2[nH]1 12984556 IGZHNWFLHSANSN-UHFFFAOYSA-N 224.057 2.743 0 50 BFAA in-vitro Brc1cccc(-c2ccccn2)n1 16545992 NCRIDSGPLISUEU-UHFFFAOYSA-N 235.084 2.906 0 50 BFAA COc1ccccc1CN(C)C(=O)c1ccco1 20043090 VZVQXNSPEHFUGI-UHFFFAOYSA-N 245.278 2.560 0 50 BFAA CCOC(=O)c1csc(-c2ccccc2N)n1 66354468 LQGLQWIYLAHVRF-UHFFFAOYSA-N 248.307 2.569 0 50 BFAA in-vitro Cc1cccc(-c2c[nH]nc2C2CCNCC2)c1 67847124 IXVAAPYAFNPAPL-UHFFFAOYSA-N 241.338 2.852 0 50 BFAA CC(=O)O[C@@H]1CCCc2nc3ccccc3nc21 71774006 UNNACXNGRXPBCE-CYBMUJFWSA-N 242.278 2.570 0 50 BFAA Cc1nc(C(=O)O)c(-c2cccc(F)c2)s1 75968381 GCBMFDPCVMRYRN-UHFFFAOYSA-N 237.255 2.956 0 50 BFAA CC[C@H](C(=O)c1ccc(F)cc1)N1CCCC1 96032882 BYMOJFLMEMTDDX-CYBMUJFWSA-N 235.302 2.883 0 50 BFAA in-vitro C[C@H](NC(=O)c1ccoc1)[C@H]1C[C@H]2CC[C@H]1C2 273494261 OXHAAOBYRYTEOK-MRBYEJRBSA-N 233.311 2.834 0 50 BFAA COc1ccccc1CN[C@@H]1CSC[C@@H]1C 285619894 WJMXDLUBPZYMDJ-CMPLNLGQSA-N 237.368 2.536 0 50 BFAA O=C(O)Cc1cccc(-c2ccncc2F)c1 313561506 IGTOHZQZUGQUBX-UHFFFAOYSA-N 231.226 2.515 0 50 BFAA CC(C)[C@@H]1N(CC2CC2)CC12CCOCC2 334825439 LIFXEVPVYUFNAJ-ZDUSSCGKSA-N 223.360 2.533 0 50 BFAA COc1nc2ccccc2cc1CNC1(C)CC1 1319836388 LKWJKVFELVBPKK-UHFFFAOYSA-N 242.322 2.886 0 50 BFAA CC(C)c1ccc(-c2cnc3nonc3n2)cc1 1848444145 QGZPCMHUAKFVAL-UHFFFAOYSA-N 240.266 2.803 0 50 BFAA CC1(C)CC[C@H](N2CCc3nocc3C2)C1 1857668584 RWYWTHXWBPWTPB-NSHDSACASA-N 220.316 2.611 0 50 BFAA COc1ccccc1-c1nccn1C1CC1 1875248813 PPNVMBPWQYGNIY-UHFFFAOYSA-N 214.268 2.894 0 50 BFAA CCCC(=O)Oc1c[nH]c2ccccc12 135211 DPUSLOQBAPOARC-UHFFFAOYSA-N 203.241 2.873 0 50 BFAA Nc1cccc(-n2nncc2-c2ccccc2)c1 192402 SEXDWYVKQGEZNE-UHFFFAOYSA-N 236.278 2.517 0 50 BFAA CC(C)Cn1c([C@H](C)O)nc2ccccc21 210234 AJEPMHCNHZHBDI-JTQLQIEISA-N 218.300 2.746 0 50 BFAA COc1cccc(NC(=O)NCc2ccco2)c1 395361 CTODOVGZXXIDOP-UHFFFAOYSA-N 246.266 2.610 0 50 BFAA CC(C)c1ccccc1O[C@H](C)C(=O)O 1459384 KJOWLMCSCDFVCH-SECBINFHSA-N 208.257 2.662 0 50 BFAA in-vitro CC(C)c1ccc(O[C@@H](C)C(=O)O)cc1 1459490 JQGMFMWLOKZVBQ-VIFPVBQESA-N 208.257 2.662 0 50 BFAA in-vitro FC(F)(F)c1cc(Cl)nc(Cl)n1 1578214 ZTNFYAJHLPMNSN-UHFFFAOYSA-N 216.977 2.802 0 50 BFAA CCOP(=O)(NC(C)(C)C)OCC 1662383 SYJKDPHZCNVQRY-UHFFFAOYSA-N 209.226 2.556 0 50 BFAA CCCCCOC(=O)c1ccc(N)cc1 1695472 VKYWCHMXHQTCJQ-UHFFFAOYSA-N 207.273 2.616 0 50 BFAA in-vitro COc1ccc2c(OC)ccc(C=O)c2c1 2563921 FFAODEUKHYBIKI-UHFFFAOYSA-N 216.236 2.670 0 50 BFAA CC(C)N[C@H](C)[C@@H](O)c1ccc2c(c1)CCCC2 3684565 VSWXRQMTEJGBTC-MLGOLLRUSA-N 247.382 2.985 0 50 BFAA Cc1cc(C(=O)NC2CCCC2)cs1 13329242 GTAIUPLKYOMFHZ-UHFFFAOYSA-N 209.314 2.729 0 50 BFAA CCOc1ccc(NC(=O)CC)c2cccnc12 15840875 SYUWRWZLLGYGSD-UHFFFAOYSA-N 244.294 2.982 0 50 BFAA CN(C)C(OCC(C)(C)C)OCC(C)(C)C 25720962 KEXFRBIOHPDZQM-UHFFFAOYSA-N 231.380 2.957 0 50 BFAA in-vitro Cc1ccccc1O[C@@H](C)C(=O)NC(C)(C)C 33359531 MVWQRDNQGCYDLY-NSHDSACASA-N 235.327 2.677 0 50 BFAA Nc1ccc(Br)c2cnccc12 39119719 VUBVOESPWKJXOQ-UHFFFAOYSA-N 223.073 2.580 0 50 BFAA in-vitro C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)O 43512206 KOPLOHWBAJQCOI-ZETCQYMHSA-N 232.201 2.969 0 50 BFAA in-vitro COc1ccc(-c2ncccc2O)cc1C 65339158 LPMZILAFROJDBG-UHFFFAOYSA-N 215.252 2.771 0 50 BFAA CCN[C@@]1(c2cccc(OC)c2)CCCCC1=O 77302153 LPKTWLVEGBNOOX-OAHLLOKOSA-N 247.338 2.643 0 50 BFAA in-vitro N[C@@H]1CCCc2cc(Br)ccc21 85224161 JBGXAYOORBASGV-SNVBAGLBSA-N 226.117 2.785 0 50 BFAA in-vitro C[C@@H](O)c1ncc(Cl)cc1Br 91692956 AUVBGIYQOJAROI-SCSAIBSYSA-N 236.496 2.551 0 50 BFAA in-vitro O=C(CCC1CC1)N1CCc2cc(F)ccc21 283615083 NSBPCDVDKXMUHU-UHFFFAOYSA-N 233.286 2.905 0 50 BFAA Cc1csc(CN2[C@H]3C=CC[C@H]2CC3)n1 370949503 CCAHLTFBJHPRTI-QWRGUYRKSA-N 220.341 2.744 0 50 BFAA Cn1cnc(-c2cc(F)cc3cccnc23)c1 426503416 DYBFTVZDFUQGCZ-UHFFFAOYSA-N 227.242 2.774 0 50 BFAA CCn1ncnc1-c1cc(C)ccc1C 426528043 RMYKDEIOSDNEKF-UHFFFAOYSA-N 201.273 2.582 0 50 BFAA COC(=O)Cc1cc(Cl)nc2ccc(C)cc12 675082118 STLRMIQTWQNBAE-UHFFFAOYSA-N 249.697 2.912 0 50 BFAA CCS[C@H](C)c1nc(O)c(F)c(CC)n1 1776004195 OIIXTIJAAAFWTA-ZCFIWIBFSA-N 230.308 2.698 0 50 BFAA Nc1cccnc1Oc1ccccc1F 93362 IGBWSEKNQXELDI-UHFFFAOYSA-N 204.204 2.595 0 50 BFAA biogenic,in-vitro CCOC(=O)c1c(NC(C)=O)sc(C)c1C 223077 ANBPVZZUAZWQHR-UHFFFAOYSA-N 241.312 2.500 0 50 BFAA CCN(CC)C(=O)/C=C/c1ccccc1 332018 GUYVMSJRMMFSQO-ZHACJKMWSA-N 203.285 2.568 0 50 BFAA CCCN(C=O)C(=O)Nc1ccc(Cl)cc1 400484 ASTQZYJQGBIOIV-UHFFFAOYSA-N 240.690 2.740 0 50 BFAA Nc1ccn(Cc2cccc3ccccc23)n1 1428539 IBRKNXJSSJAWEE-UHFFFAOYSA-N 223.279 2.667 0 50 BFAA in-vitro C/C=C/C=C/c1nc2ccccc2c(=O)o1 2067601 OOVGAFUXAXBNKE-DSXPNFDZSA-N 213.236 2.777 0 50 BFAA COCCOC(=O)Nc1ccccc1Cl 2171519 OLAWLNZSIDYWCL-UHFFFAOYSA-N 229.663 2.535 0 50 BFAA O=C(c1c(F)cccc1Cl)N1CCCC1 4750448 CBETWPJDKRREOR-UHFFFAOYSA-N 227.666 2.715 0 50 BFAA CCc1ccccc1Oc1ncccn1 6509593 RYMDKKMDPFBYRD-UHFFFAOYSA-N 200.241 2.831 0 50 BFAA Cc1ncc(CSc2ccccc2)c(N)n1 6614885 LNCRMDUKWIVROA-UHFFFAOYSA-N 231.324 2.660 0 50 BFAA O=C(NCc1ccccn1)Nc1cccc(F)c1 6714384 DRSNFAFVEONFKF-UHFFFAOYSA-N 245.257 2.542 0 50 BFAA Cc1cc(C)cc(NC(=O)c2cc(C)on2)c1 7970160 KRYWEJDGWIEYMT-UHFFFAOYSA-N 230.267 2.852 0 50 BFAA CC(C)Oc1ccc(NC(=O)C2CC2)cc1 8723120 KQFMXACZHCMOSP-UHFFFAOYSA-N 219.284 2.822 0 50 BFAA COC(=S)NC(=O)c1ccc2ccccc2c1 23114777 SHYPZZTUMQRPLL-UHFFFAOYSA-N 245.303 2.501 0 50 BFAA OC1/C(=C/c2ccc[nH]2)CC/C1=C\c1ccc[nH]1 25756907 IEMNBZAPPFEBKJ-WGDLNXRISA-N 240.306 2.965 0 50 BFAA O=C(O)c1ccnc2c(Cl)cccc12 72206426 FDOWCPBIOYKIND-UHFFFAOYSA-N 207.616 2.586 0 50 BFAA Cc1cc(Br)cc2c1NC(=O)CC2 90658570 XVHRLDCZHNILEV-UHFFFAOYSA-N 240.100 2.642 0 50 BFAA Cc1cc2c(F)c(Br)cnc2[nH]1 96321057 DYLJFPFYBJSQQZ-UHFFFAOYSA-N 229.052 2.773 0 50 BFAA Cc1ccc(-c2c(C)n(O)c(C)c(C)[n+]2=O)cc1 136185253 XVVUYUAJMLSQJC-UHFFFAOYSA-N 245.302 2.541 0 50 BFAA Cc1ccccc1N[S@](=O)C(C)(C)C 200967980 NGPAHFIJUIGWGS-CQSZACIVSA-N 211.330 2.869 0 50 BFAA C[C@H](F)C1(C(=O)OCc2ccccc2)CC1 223655022 DGBNTJPQGNDSFR-JTQLQIEISA-N 222.259 2.868 0 50 BFAA Cc1cncc(N[C@@H]2C[C@H]3CC[C@H]2C3)c1 252762000 YPLKARAMIAGRFL-GMXVVIOVSA-N 202.301 2.991 0 50 BFAA CCCCOc1ccc(C)cc1-c1nc(O)n[nH]1 426422024 SDXRQYOYWDUXSR-UHFFFAOYSA-N 247.298 2.665 0 50 BFAA O=C(c1ccccc1)c1cnc2ccc(F)cn12 514268024 XQUTVRVWWJZXOJ-UHFFFAOYSA-N 240.237 2.704 0 50 BFAA O=Cc1sccc1-c1ccc(C(=O)O)o1 725261186 TYIQYGBEQIZUGW-UHFFFAOYSA-N 222.221 2.519 0 50 BFAA O=C(Nc1nccnc1C1CC1)c1cccs1 906410547 HERSWEZKQFNPBI-UHFFFAOYSA-N 245.307 2.668 0 50 BFAA CN(CC1CCC1)C(=N)NCc1ccsc1 1615592682 ZAIKMSTWLHCHSC-UHFFFAOYSA-N 237.372 2.504 0 50 BFAA c1cc2[nH]ncc2cc1NC1C[C@@H]2CC[C@H](C1)O2 1775987646 NSHLWNGFQJVJDA-YHWZYXNKSA-N 243.310 2.685 0 50 BFAA Cc1nc2sc3c(c2c(=O)o1)CC[C@@H](C)C3 127488 HXYORSNUCFAGLV-ZCFIWIBFSA-N 235.308 2.683 0 50 BFAA O=C(c1cccnc1)N1CCCc2ccccc21 183272 FZSRJRDHOSQBIG-UHFFFAOYSA-N 238.290 2.675 0 50 BFAA CN(CCc1ccccc1)Cc1ccccn1 214329 RFMYRTGCYHJWNK-UHFFFAOYSA-N 226.323 2.756 0 50 BFAA O=C(O)CCCc1nc2ccccc2s1 351981 DOTLYHUQAIHKEV-UHFFFAOYSA-N 221.281 2.704 0 50 BFAA in-vitro C/C=C/C(=O)Nc1ccc(Br)cc1 2167725 SDSXPVIFRUTSDP-NSCUHMNNSA-N 240.100 2.964 0 50 BFAA O=C1CCc2ccc(Br)cc2C1 4202743 NCTYMQMYDHAKCE-UHFFFAOYSA-N 225.085 2.507 0 50 BFAA in-vitro CC[C@H](C)NC(=O)c1ccc(C)c(C)c1 5468591 JDKBCQVNEDPWEJ-NSHDSACASA-N 205.301 2.832 0 50 BFAA O=C(c1cccs1)[C@H](O)c1ccccc1 5486399 YFZMKLUEORCQRT-LLVKDONJSA-N 218.277 2.664 0 50 BFAA C[C@H]1CN(Cc2c(F)cccc2F)C[C@@H](C)O1 12409106 XEFIXQWGJMEGAL-AOOOYVTPSA-N 241.281 2.574 0 50 BFAA OCc1ccc(OCc2ccccc2)c(F)c1 20435111 HWGIEIDBXWBVEB-UHFFFAOYSA-N 232.254 2.897 0 50 BFAA CCc1ccc([C@H](O)C(F)(F)F)cc1 38435143 YAYBTIUHXFCXFT-VIFPVBQESA-N 204.191 2.845 0 50 BFAA CCc1ccc(Br)cc1C(=O)OC 39951704 NYMZTCOVKDJUKT-UHFFFAOYSA-N 243.100 2.798 0 50 BFAA CCOc1nc(Cl)nc2ccccc12 52811306 MSDJYCCFSJSQIB-UHFFFAOYSA-N 208.648 2.682 0 50 BFAA C[C@@H](CO)N(Cc1ccccc1)CC1(C)CC1 65426211 UJLKRCNNVALYQJ-ZDUSSCGKSA-N 233.355 2.670 0 50 BFAA COC(=O)C1[C@]23CC=CC[C@@]12CCCC3 101037448 FNMFUSXRJMNISV-CHWSQXEVSA-N 206.285 2.686 0 50 BFAA O=Cc1cccc(F)c1OCCC(F)(F)F 165280051 UBBJINMJJPQAJK-UHFFFAOYSA-N 236.164 2.969 0 50 BFAA O=C(O)C[C@H](c1ccccc1)C(F)F 209560935 ATTSUIJPZMICFB-MRVPVSSYSA-N 200.184 2.510 0 50 BFAA C[C@]1(CO)CCCN([C@@H]2CCc3ccccc32)C1 225457469 WVFANUHZCMOXBC-CVEARBPZSA-N 245.366 2.768 0 50 BFAA S=C(Nc1ccc(Cl)cn1)N1CCCC1 243994308 SEPNOBKPLGUCKX-UHFFFAOYSA-N 241.747 2.528 0 50 BFAA c1cc(CN2CCC[C@H]3CCC[C@H]32)ccn1 247481068 KCPTVEHSTGSNPH-ZIAGYGMSSA-N 216.328 2.846 0 50 BFAA F[C@@H]1CCN(c2cc(C(F)(F)F)ccn2)C1 335398951 MMIZXOZOOJHEEZ-MRVPVSSYSA-N 234.196 2.649 0 50 BFAA CCSCCSCc1cccnc1N 585119145 TVYXYZBBTJLLJR-UHFFFAOYSA-N 228.386 2.650 0 50 BFAA C1=C[C@H](n2ccnc2-c2ncc[nH]2)CCC1 1875248146 ZGYTYVAAXGBCCG-JTQLQIEISA-N 214.272 2.554 0 50 BFAA Cc1cc(NC(=O)N2CCC[C@@H]3C[C@H]32)cnc1C 1875297170 FNEKBTUNWUMBLM-DGCLKSJQSA-N 245.326 2.715 0 50 BFAA Cc1nc(-c2cccc3c2OCC3)ccc1O 2356163543 IEHGPEAJDFMEEH-UHFFFAOYSA-N 227.263 2.698 0 50 BFAA COc1ccc(C(=O)Nc2ccccc2)cc1 61525 XOJAJRFBOKCXPI-UHFFFAOYSA-N 227.263 2.948 0 50 BFAA O=C(NC1CCCCCCC1)c1cccnc1 198811 ORFDJENNCFHCQO-UHFFFAOYSA-N 232.327 2.924 0 50 BFAA OCC[C@H]1CCCCN1Cc1ccccc1F 210782 GXTLXDUOTXHQPJ-CYBMUJFWSA-N 237.318 2.563 0 50 BFAA O=C(O)c1ccc(-c2ccc(O)cc2)cc1 389804 JTGCXYYDAVPSFD-UHFFFAOYSA-N 214.220 2.757 0 50 BFAA in-vitro CC(=O)Oc1cccc2c(OC(C)=O)cccc12 393444 OZXMAFKBBGXKSP-UHFFFAOYSA-N 244.246 2.690 0 50 BFAA CC(=O)Nc1nnc(-c2ccc(C)c(C)c2)s1 618264 JZTVLOSSEDKVAE-UHFFFAOYSA-N 247.323 2.780 0 50 BFAA Cc1cccc(OCCCN2CCCC2)c1 2493495 JCXKBVFBLXNXDP-UHFFFAOYSA-N 219.328 2.860 0 50 BFAA O=C(Nc1ccc2c(c1)CCCC2)[C@H]1CCCO1 4751740 IEGQWRQNBZEMII-CQSZACIVSA-N 245.322 2.683 0 50 BFAA CN1OC[C@@H]2COc3ccc4ccccc4c3[C@@H]21 5209133 DAIVVDAWQFQQDF-XHDPSFHLSA-N 241.290 2.767 0 50 BFAA O=C(c1ccccc1O)N1CCc2ccccc21 6668513 FQMCOXPVJBPJNI-UHFFFAOYSA-N 239.274 2.595 0 50 BFAA O=C(/C=C/c1cccs1)Nc1ccncc1 12341645 PPLQDIRHCFZULW-ONEGZZNKSA-N 230.292 2.795 0 50 BFAA Cc1ccc(F)cc1-c1cccc(C(=O)O)n1 65347442 FEALANGWKJAJPK-UHFFFAOYSA-N 231.226 2.894 0 50 BFAA in-vitro CCOC(=O)c1ccccc1-c1cnco1 90470817 DDAYJSSVCMBMFB-UHFFFAOYSA-N 217.224 2.518 0 50 BFAA in-vitro Cc1cccc(C(=O)[C@H](C)N2CCCC2)c1 95705033 BYYSWQHJMWVSGB-LBPRGKRZSA-N 217.312 2.662 0 50 BFAA in-vitro O=C1c2ccccc2C2c3ccccc3C(=O)C12 100660803 FGDWPCUKCIMMDG-UHFFFAOYSA-N 234.254 2.827 0 50 BFAA CC(=O)CC(=O)c1ccc(C(C)C)cc1 101030985 PMOASHSDXBBUEX-UHFFFAOYSA-N 204.269 2.972 0 50 BFAA C[C@H](C1CC1)n1nccc1NCC1=CCCOC1 126982812 AGYUXUBSPWREAU-LLVKDONJSA-N 247.342 2.613 0 50 BFAA Brc1cncc(NCC2CC2)c1 157309431 XOICEMWCCDOTOL-UHFFFAOYSA-N 227.105 2.666 0 50 BFAA in-vitro C[C@@H](Cc1ccc(F)cc1)Nc1cnc[nH]1 225510854 HEAQJRQWZHBVJN-VIFPVBQESA-N 219.263 2.592 0 50 BFAA CC(C)[C@@H]1OC[C@@H]2Cc3ccccc3[C@H]2O1 245377621 NOBNLHDWQDMAEA-FPMFFAJLSA-N 218.296 2.929 0 50 BFAA biogenic CC(C)[C@H](F)C(=O)Nc1ccsc1 307168222 ULOFJMWBVXXTPY-QMMMGPOBSA-N 201.266 2.681 0 50 BFAA Cc1nc(C)c(CN2C[C@@H]3CCC[C@@H]32)s1 336348467 FTZWBADHMPTTAG-QWRGUYRKSA-N 222.357 2.744 0 50 BFAA CC(C)CCOc1nccc(Br)n1 725345679 WBUOQJROLABBDQ-UHFFFAOYSA-N 245.120 2.664 0 50 BFAA Cc1nc2ccnn2c(-c2ccc(N)cc2)c1C 2100542850 IZVWYAHWFWOKTF-UHFFFAOYSA-N 238.294 2.595 0 50 BFAA CCNC(=O)c1cc2c(C)cc(Cl)cc2[nH]1 2325770990 HPKUIZGKMPHKQZ-UHFFFAOYSA-N 236.702 2.879 0 50 BFAA FC(F)(F)c1ccc2nsnc2c1 71474 KUFWKXPZEWUROO-UHFFFAOYSA-N 204.176 2.710 0 50 BFAA in-vitro Fc1cccc(F)c1CN1CCCCC1 138525 OCINSQFYCYSWDE-UHFFFAOYSA-N 211.255 2.951 0 50 BFAA O=C(/C=C/c1cccc(Cl)c1)NC1CC1 253713 IRIKHRXRQWFJQC-QPJJXVBHSA-N 221.687 2.632 0 50 BFAA CC(C)OCc1ccc(O)c2ncccc12 282494 SEHAKMLLHGQTSZ-UHFFFAOYSA-N 217.268 2.865 0 50 BFAA in-vitro CNC(=O)Nc1ccc2ccccc2c1 398272 GBZFNHQFPMVGTF-UHFFFAOYSA-N 200.241 2.591 0 50 BFAA Cc1occc1C(=O)NCc1ccccc1F 1055614 LEXSMDWCVADUNA-UHFFFAOYSA-N 233.242 2.657 0 50 BFAA CCCNC(=O)c1ccccc1SC 4843337 KESURMDZQOKNBK-UHFFFAOYSA-N 209.314 2.548 0 50 BFAA O=C(O)c1cccc2[nH]c3c(c12)CCCC3 6697993 JATFYKRYLHPWLZ-UHFFFAOYSA-N 215.252 2.745 0 50 BFAA Fc1cc(Br)ccc1S 15442772 KENIDQSHNHNYOY-UHFFFAOYSA-N 207.067 2.877 0 50 BFAA in-vitro Brc1ccnc(-c2ccccc2)n1 44117103 KHCPRKLEAXEKCE-UHFFFAOYSA-N 235.084 2.906 0 50 BFAA Cc1cc(Cl)n(CC(=O)c2ccccc2)n1 44125299 STXIJDXMJOAFSX-UHFFFAOYSA-N 234.686 2.728 0 50 BFAA COC(=O)c1ccc(OC)cc1C(F)(F)F 44200003 VNWHVTUCXGRFIT-UHFFFAOYSA-N 234.173 2.501 0 50 BFAA FC(F)(F)COc1ccnc(Cl)c1 66352320 AEIHRRMIARXQBG-UHFFFAOYSA-N 211.570 2.676 0 50 BFAA c1cc(-c2ccsc2)nc(N2CCCC2)n1 67320848 AATXZVUBYBZZBI-UHFFFAOYSA-N 231.324 2.805 0 50 BFAA COCCC[C@@H]1CCCCN1Cc1ccccn1 77454752 NPRLHHZIWLAQDJ-HNNXBMFYSA-N 248.370 2.863 0 50 BFAA CN[C@]1(c2ccc(Cl)s2)CCCCC1=O 96027672 CFGSUXYOVKFGTI-LLVKDONJSA-N 243.759 2.959 0 50 BFAA Nc1cncc(-c2ccc(C(F)(F)F)nc2)c1 96137555 YUJPYJXLYDXCRT-UHFFFAOYSA-N 239.200 2.745 0 50 BFAA Cc1cc(N)c(OC(C)C)cc1C1CCNCC1 115033692 KOZWCCZKLQFNJK-UHFFFAOYSA-N 248.370 2.831 0 50 BFAA in-vitro O=C(O)[C@H](Cc1cccnc1)C1CCCC1 160976180 QAANXPFCODQHLD-GFCCVEGCSA-N 219.284 2.515 0 50 BFAA COC(=O)c1c(C)sc(C)c1Br 238323179 NETOWRBCJFGUHN-UHFFFAOYSA-N 249.129 2.914 0 50 BFAA Cc1nc(C)c(CN2C[C@H]3CCC[C@H]32)s1 336348463 FTZWBADHMPTTAG-GHMZBOCLSA-N 222.357 2.744 0 50 BFAA CCc1noc([C@H](C)OC(=O)c2ccccc2)n1 744490518 BDTPCWUGRNKHIY-VIFPVBQESA-N 246.266 2.550 0 50 BFAA O=C(O)C1(C(F)(F)F)CC2(CCC2)C1 958748788 NAWSYIZPFCWINZ-UHFFFAOYSA-N 208.179 2.584 0 50 BFAA CNCc1cccc(-c2c[nH]c3ncccc23)c1 2325872027 FHPLMCTXRXHFQM-UHFFFAOYSA-N 237.306 2.949 0 50 BFAA O=C(NCc1ccccc1)c1ccccc1 101707 LKQUCICFTHBFAL-UHFFFAOYSA-N 211.264 2.617 0 50 BFAA biogenic,in-vitro CC(=O)c1c(-c2ccccc2)nn(C)c1Cl 167949 QUYJIVOXWJTSHH-UHFFFAOYSA-N 234.686 2.943 0 50 BFAA CC(=O)Nc1ccccc1NC(=O)C(C)(C)C 259693 PXLXUSZKNXCLPM-UHFFFAOYSA-N 234.299 2.630 0 50 BFAA CO[C@@H](C(=O)O)c1ccc(Cl)c(Cl)c1 396727 CICPXDRPEAWVIT-MRVPVSSYSA-N 235.066 2.766 0 50 BFAA Cc1cccc(OCCCC(=O)NC(C)C)c1 1773828 XTBPRXAGULSIKT-UHFFFAOYSA-N 235.327 2.679 0 50 BFAA Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1N 2382080 BRLIJPMFMGTIAW-UHFFFAOYSA-N 244.138 2.889 0 50 BFAA NCCSCc1c(F)cccc1Cl 2510233 KNNHPOGBBNRNDH-UHFFFAOYSA-N 219.712 2.671 0 50 BFAA in-vitro Cc1ccc(N)c(NC(=O)OC(C)(C)C)c1 2547912 ITNKEMSWAOSDIT-UHFFFAOYSA-N 222.288 2.924 0 50 BFAA in-vitro CCn1ccc(C(=O)Oc2cc(C)cc(C)c2)n1 2759225 QXOVKKJSWZRVRM-UHFFFAOYSA-N 244.294 2.739 0 50 BFAA N[C@@H](c1ccncc1)c1ccc(Cl)cc1 4478361 YCSMATSKHPALAR-GFCCVEGCSA-N 218.687 2.783 0 50 BFAA in-vitro O=C(O)/C(=C/c1ccco1)c1ccccc1 4701373 NXFJMNHCFFZDTM-FMIVXFBMSA-N 214.220 2.905 0 50 BFAA in-vitro CCCNC(=O)c1cccc(Br)c1 4814233 BNLCNTGICCHYNX-UHFFFAOYSA-N 242.116 2.589 0 50 BFAA in-vitro CCO[C@@H](CC)c1ccc2c(c1)OCCO2 4845708 LNHLJTKPCVBJSS-NSHDSACASA-N 222.284 2.945 0 50 BFAA CCCc1ccc(C(=O)Nc2ccon2)cc1 13745866 ZXIFPSZQIOFCFL-UHFFFAOYSA-N 230.267 2.879 0 50 BFAA CCOC(=O)N1CCCc2cc(C)ccc21 16580169 ADBFJJUDWCSWTF-UHFFFAOYSA-N 219.284 2.904 0 50 BFAA COc1ccc(NC(=O)OC(C)(C)C)c(N)c1 19421502 RUTRVXDBOSVFFT-UHFFFAOYSA-N 238.287 2.624 0 50 BFAA ON1C(c2ccccc2F)=NNc2ccccc21 25757804 VGJFFMFJDPGYQS-UHFFFAOYSA-N 243.241 2.809 0 50 BFAA CC(C)Oc1cc(Br)ccc1CO 37475733 MOTNBELKJSKSRA-UHFFFAOYSA-N 245.116 2.729 0 50 BFAA in-vitro C/C=C/CC(=O)N(C)[C@@H](C)Cc1cc(C)ccn1 55052619 WZBZWYVJUMVZDO-GFUIURDCSA-N 246.354 2.746 0 50 BFAA c1c[nH]c(-c2ccc(CN3CCCC3)s2)n1 67433960 PAJAJDAJMQAGNX-UHFFFAOYSA-N 233.340 2.734 0 50 BFAA CC(C)(C)OC(=O)c1ccc(N)c(Cl)c1 70602000 SNKUZMHLUVIFAR-UHFFFAOYSA-N 227.691 2.878 0 50 BFAA in-vitro COC(=O)c1ccc2c(c1)nc(C)n2C(C)(C)C 75972743 RGHLNYMCIDPRRB-UHFFFAOYSA-N 246.310 2.886 0 50 BFAA CC[C@H](C(=O)c1ccc(C)cc1)N(C)C 95705016 UKVFBTRCNFUOFU-GFCCVEGCSA-N 205.301 2.518 0 50 BFAA in-vitro O[C@H]1CC[C@H](N[C@@H]2CCc3ccccc32)CC1 252732618 WBECHZQDNHYIKX-UMVBOHGHSA-N 231.339 2.567 0 50 BFAA Cc1cnc(OCc2ccccc2)c(O)c1 261494536 ZWYUVDAOVLSAES-UHFFFAOYSA-N 215.252 2.675 0 50 BFAA O=C(Nc1ccccc1)c1ccc2cc[nH]c2n1 353874796 UMTWGGILGJJOMH-UHFFFAOYSA-N 237.262 2.815 0 50 BFAA CC1(C)CCCC(C)(C)N1C1CC(C(=O)O)C1 725377621 UZYPNEADNULCFG-UHFFFAOYSA-N 239.359 2.893 0 50 BFAA CC1(C(=O)Nc2nccc3cc[nH]c23)CC=CC1 827135326 AOVCWGNQHPMLOP-UHFFFAOYSA-N 241.294 2.858 0 50 BFAA C=CC(=O)N[C@H](C(F)F)C1CCCCC1 1335325102 ZOSZDASAXQQQNW-JTQLQIEISA-N 217.259 2.503 0 50 BFAA CC(C)(C)C(=O)N1N=CC[C@@H]1c1ccccc1 1771591524 NJQVSLWJBLPTMD-GFCCVEGCSA-N 230.311 2.992 0 50 BFAA in-vitro Cc1nc2cc(-c3ccc(O)nn3)ccc2s1 1875244460 LMURUQLIMKQENU-UHFFFAOYSA-N 243.291 2.767 0 50 BFAA FC(F)n1cc(-c2ccc3c[nH]nc3c2)cn1 2325871305 HFOPTEXPRNZTAE-UHFFFAOYSA-N 234.209 2.822 0 50 BFAA CC1(C)COC(c2ccc(Cl)cc2)=N1 193019 XCQDCQKNZXMXGM-UHFFFAOYSA-N 209.676 2.895 0 50 BFAA COc1ccc(CCNC(=O)C2CCCC2)cc1 474596 QEMCFQXPNLMOPB-UHFFFAOYSA-N 247.338 2.544 0 50 BFAA Cc1ccc(-c2noc(CNC(C)C)n2)cc1 564327 XQOSNFJUNZPHAW-UHFFFAOYSA-N 231.299 2.543 0 50 BFAA Cc1ccc(-c2cc(C(=O)NC(C)C)no2)cc1 815095 BNFKCDXMMAZDDU-UHFFFAOYSA-N 244.294 2.788 0 50 BFAA O=C(O)CCCOc1ccc(Cl)cc1 1732193 SIYAHZSHQIPQLY-UHFFFAOYSA-N 214.648 2.584 0 50 BFAA in-vitro Brc1ccc2c(c1)CCCN2 2534099 WEHMHBSITKCQBY-UHFFFAOYSA-N 212.090 2.807 0 50 BFAA in-vitro CC[C@@]1(c2ncc[nH]2)Cc2ccccc2O1 2575701 JCWVNNMJXQJVNC-ZDUSSCGKSA-N 214.268 2.650 0 50 BFAA in-vitro OCc1cccnc1Sc1ccccc1 3105773 AITNVOMCXOUNME-UHFFFAOYSA-N 217.293 2.725 0 50 BFAA O=Cc1ccccc1OCCCN1CCCCC1 8731485 APNWHXAYLQEXJG-UHFFFAOYSA-N 247.338 2.754 0 50 BFAA O=C(NC1Cc2ccccc2C1)c1cccs1 9483062 OHHGMOCQFHFWPD-UHFFFAOYSA-N 243.331 2.645 0 50 BFAA O=C(Cc1ccncc1)c1cccs1 13568793 FCLIXCKZIJZCEL-UHFFFAOYSA-N 203.266 2.569 0 50 BFAA CCC1CCC(CN)(N2CCCCC2)CC1 19807842 FYQHDKVASBAAPY-UHFFFAOYSA-N 224.392 2.770 0 50 BFAA Cc1cn2cc(Br)c(C)cc2n1 36243588 NMERPDYDFXTSQG-UHFFFAOYSA-N 225.089 2.714 0 50 BFAA CC(C)(C)OC(=O)Nc1ncc(F)s1 36489767 VCMFSWGHVQKQGS-UHFFFAOYSA-N 218.253 2.629 0 50 BFAA in-vitro Nc1cc(-c2cnc3ccccc3c2)ccn1 65397907 ZIWHDUFEYAYTGJ-UHFFFAOYSA-N 221.263 2.879 0 50 BFAA CC(=O)Cc1nc(-c2ccccc2)cs1 86828793 SGCHHZKRNMRNDV-UHFFFAOYSA-N 217.293 2.942 0 50 BFAA Nc1nc2cc(OCc3ccccc3)ccc2o1 97757446 HVDHKOOJSSLNSN-UHFFFAOYSA-N 240.262 2.989 0 50 BFAA Oc1cccc(CN2CCCC2)c1Cl 149753482 AMIOJJLDINHQAN-UHFFFAOYSA-N 211.692 2.641 0 50 BFAA COC(=O)[C@@H](NCC=C(C)C)c1ccsc1 192007638 FFBPIPCQOGJRMN-NSHDSACASA-N 239.340 2.518 0 50 BFAA C[C@@H](O)CN(C)CCc1cccc2ccccc12 192975278 ZBHXTYZHBJVFBV-CYBMUJFWSA-N 243.350 2.695 0 50 BFAA Nc1c(F)c(F)cc(Br)c1Cl 209701551 VDGVVKCMSCFVSM-UHFFFAOYSA-N 242.450 2.963 0 50 BFAA CCc1ccc(CNc2ccc(CO)cn2)cc1 253416073 WCEUEJABIAOXII-UHFFFAOYSA-N 242.322 2.748 0 50 BFAA O=C(Nc1ccccc1)c1cc(O)ccc1F 261494503 ZGZKJJABDLNQMR-UHFFFAOYSA-N 231.226 2.784 0 50 BFAA CCCCn1ncnc1[C@@H](C)N1CCCCC1 670457276 MACKLDHIAZARCL-GFCCVEGCSA-N 236.363 2.625 0 50 BFAA CN(Cc1nccs1)C(=O)CC1=CCCC1 1857686370 SNYZYFSDIWLOFJ-UHFFFAOYSA-N 236.340 2.602 0 50 BFAA Cc1ccc2ncccc2c1-c1cncc(N)n1 2100542804 GCWRTGRPVIRPRW-UHFFFAOYSA-N 236.278 2.582 0 50 BFAA CC(C)NC[C@@H](O)c1ccc2ccccc2c1 666 HRSANNODOVBCST-OAHLLOKOSA-N 229.323 2.871 0 50 BFAA biogenic,world CC(C)NCCc1c[nH]c2ccccc12 68848 QOCRVKNKLPEDCZ-UHFFFAOYSA-N 202.301 2.708 0 50 BFAA O=C(Cc1ccccc1F)c1ccc(O)cc1O 304317 MOSGILKWCKIFKC-UHFFFAOYSA-N 246.237 2.662 0 50 BFAA biogenic CC1(C)CON(Cc2ccccc2Cl)C1=O 900785 KIEDNEWSYUYDSN-UHFFFAOYSA-N 239.702 2.640 0 50 BFAA biogenic,in-vitro CC(C)N[C@@H](C)[C@H](O)c1ccc2c(c1)CCCC2 3684562 VSWXRQMTEJGBTC-LRDDRELGSA-N 247.382 2.985 0 50 BFAA Brc1ccc2c(c1)OCCCO2 4277274 AZCHNKNSOZJHSH-UHFFFAOYSA-N 229.073 2.610 0 50 BFAA in-vitro c1ccc2c(CNc3ncn[nH]3)cccc2c1 4997845 MYBLZXNNTUOWKN-UHFFFAOYSA-N 224.267 2.570 0 50 BFAA Clc1ccc(NC[C@@H]2CCCN2)cc1 6658318 GGRGRQNOGPCURF-NSHDSACASA-N 210.708 2.504 0 50 BFAA CCCCCOc1cccc([C@H](O)CNC)c1 15745743 GINDDPVACHYXOC-CQSZACIVSA-N 237.343 2.508 0 50 BFAA c1ccc2c(CN3CCSCC3)c[nH]c2c1 71930746 VQIHNTJKVVRSJG-UHFFFAOYSA-N 232.352 2.717 0 50 BFAA c1ccc(CN2CCC3(CCCNC3)CC2)cc1 79034230 JVEBJYBSCVIWTQ-UHFFFAOYSA-N 244.382 2.652 0 50 BFAA Cc1cc(O)c(F)cc1Br 90548819 QDGUFFYQTIQGAJ-UHFFFAOYSA-N 205.026 2.602 0 50 BFAA Cc1ccnc(NC(=O)Nc2ccc(O)cc2)c1 170087873 AQLSYSZPFFOIKT-UHFFFAOYSA-N 243.266 2.740 0 50 BFAA COC(=O)c1ccc2ccc(Cl)nc2c1 225120432 TYFIRXIWXORECM-UHFFFAOYSA-N 221.643 2.675 0 50 BFAA CCC1(NC(=O)NC2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)CCC1 225434473 KGYPLMRPPCUHBW-NNYUYHANSA-N 248.370 2.663 0 50 BFAA CCC[C@@H](C)OC(=O)C[C@@H](CN)CC(C)C 230519083 HGRWWXZXPFOOQM-NEPJUHHUSA-N 229.364 2.729 0 50 BFAA CCCCCn1c[n+](Cc2ccc(F)cc2)cn1 252495674 OVLRSESEOMXTIR-UHFFFAOYSA-N 248.325 2.548 0 50 BFAA CC[C@H]1CCCN(c2ncnc3[nH]ccc23)C1 263736676 DNUVOHCPQONECV-JTQLQIEISA-N 230.315 2.584 0 50 BFAA CC[C@@H]1CCCC[C@H]1CN[C@@H]1C=C[C@H](CO)C1 585117511 IOULLYRZBDYVFK-LJISPDSOSA-N 237.387 2.729 0 50 BFAA CC[C@@]1(O)CCC[C@@H]2CN(Cc3ccco3)C[C@@H]21 1704337198 SMFXOZMKFIDFOU-VHDGCEQUSA-N 249.354 2.653 0 50 BFAA Cc1cn(C)nc1-c1ccnc(C(F)(F)F)c1 1875283660 ZDAQTVXQQYTPTB-UHFFFAOYSA-N 241.216 2.809 0 50 BFAA C=CC(=O)N[C@@H](C)CCc1c(F)cccc1F 1875376347 TYWOHKUZXMHPTI-VIFPVBQESA-N 239.265 2.588 0 50 BFAA Cc1ccc(N)cc1NC(=O)c1ccccc1 123117 OYNOCAXBTUAATH-UHFFFAOYSA-N 226.279 2.830 0 50 BFAA COc1ccc(CNCc2ccccc2)cc1 172169 WZUBICZIDUTTNJ-UHFFFAOYSA-N 227.307 2.985 0 50 BFAA CC(C)Oc1cccc(C(=O)N2CCCC2)c1 442780 INYOQEBFCAMSNM-UHFFFAOYSA-N 233.311 2.710 0 50 BFAA O=C(Nc1ccccc1)[C@@H](F)C(F)(F)F 1792943 ATXNFKAJSJKHIX-SSDOTTSWSA-N 221.153 2.526 0 50 BFAA Clc1ccc(OCCn2ccnc2)cc1 3876309 KUDLOMXCSUUBJR-UHFFFAOYSA-N 222.675 2.616 0 50 BFAA COc1ccccc1-c1ccc(C=O)o1 4313150 UQEVFNBSWIQVLF-UHFFFAOYSA-N 202.209 2.768 0 50 BFAA CCc1cc(=O)oc2cc(C)cc(OC(C)=O)c12 4387698 UBBDMTJGLKICNY-UHFFFAOYSA-N 246.262 2.589 0 50 BFAA COc1cccc(CN2CCC[C@@H](C)C2)c1OC 4987316 GIURJLDTTGIUTP-GFCCVEGCSA-N 249.354 2.936 0 50 BFAA CSc1ccc(-c2cccs2)nn1 6858739 KJROCLNECYKWTM-UHFFFAOYSA-N 208.311 2.927 0 50 BFAA CC(C)N[C@@H](C)[C@@H](O)c1cccc2c1CCCC2 9350071 VKOGIFHBTYBZBN-BLLLJJGKSA-N 247.382 2.985 0 50 BFAA Cc1cc(=O)c2cccc(C(F)(F)F)c2[nH]1 11731146 OTMHQQLVOKHQTM-UHFFFAOYSA-N 227.185 2.855 0 50 BFAA in-vitro c1ccc([C@H]2CNCc3ccccc3O2)cc1 32919481 REJFCSPYGGFJGI-OAHLLOKOSA-N 225.291 2.910 0 50 BFAA in-vitro O=C1CCc2ccc(C(F)(F)F)cc21 39952003 IGDFHUWAXWFKMW-UHFFFAOYSA-N 200.159 2.834 0 50 BFAA in-vitro COCCc1noc(-c2ccc(C)cc2C)n1 65432070 JLPVVWIPRABBPK-UHFFFAOYSA-N 232.283 2.542 0 50 BFAA C[C@H]1CC(C)(C)CC[C@H]1NCc1ncc[nH]1 86662525 IJQOFHBUTKEHGW-WDEREUQCSA-N 221.348 2.714 0 50 BFAA Cc1cc2cc(N[C@@H]3C[C@@H](C)OC3=O)ccc2[nH]1 113308013 DKPSCJGYMCKZKT-NOZJJQNGSA-N 244.294 2.592 0 50 BFAA CCCN(CCC)CCNC(=O)OC(C)(C)C 114206779 VKPDROLFIAILNU-UHFFFAOYSA-N 244.379 2.633 0 50 BFAA CC(C)Cc1cc(C=O)nn1-c1ccccc1 167326323 RUSAMQXKUHPPNA-UHFFFAOYSA-N 228.295 2.883 0 50 BFAA Cc1ccccc1[C@H]1C[C@@H](C)N(CCC(=O)O)C1 237359848 PPCNVSVVZCRYBX-OLZOCXBDSA-N 247.338 2.648 0 50 BFAA N[C@@H](c1ncccc1C(F)(F)F)C1CC1 238669635 VYALZZLVVHXXNB-MRVPVSSYSA-N 216.206 2.510 0 50 BFAA O=c1cnc(-c2cc(Cl)cc(Cl)c2)c[nH]1 389605723 XYVGSOZDBAZUSK-UHFFFAOYSA-N 241.077 2.744 0 50 BFAA Cc1ccc2[nH]cc(-c3cc(C)nnc3O)c2c1 426382668 KBKBDPJWCSRMIB-UHFFFAOYSA-N 239.278 2.947 0 50 BFAA C[C@H]1CCCCN1[C@H]1CC(=O)CC[C@H]1C 725360332 IXYCGRDDURXKED-MDZLAQPJSA-N 209.333 2.619 0 50 BFAA CC(=O)Nc1cc(O)c(Cl)cc1Cl 169136 KKTTWHOBHAIWDY-UHFFFAOYSA-N 220.055 2.657 0 50 BFAA COc1ccccc1C(=O)Oc1ccccc1 304004 LZRFQYZCMVMADF-UHFFFAOYSA-N 228.247 2.914 0 50 BFAA COC(=O)/C=C/c1ccc(Br)cc1 330128 MFKOGXVHZUSUAF-QPJJXVBHSA-N 241.084 2.635 0 50 BFAA in-vitro Cc1ccccc1NCc1[nH]cnc1C 756985 DTIHDXQMWDKHHI-UHFFFAOYSA-N 201.273 2.639 0 50 BFAA C[C@@H](C(=O)O)c1ccc(OC(F)(F)F)cc1 2529203 BEBMIASBVSVAQI-ZCFIWIBFSA-N 234.173 2.773 0 50 BFAA O=Cc1c[nH]c2cc(Br)ccc12 2569373 WCCLQCBKBPTODV-UHFFFAOYSA-N 224.057 2.743 0 50 BFAA biogenic,in-vitro Cc1nc2ccc(Cl)cc2cc1C(=O)O 3886834 BXNOWQXNZZNEJV-UHFFFAOYSA-N 221.643 2.895 0 50 BFAA in-vitro COc1ccccc1-c1nc(C)c(C(=O)O)s1 5175348 INVCLUFEKIDXBW-UHFFFAOYSA-N 249.291 2.825 0 50 BFAA CSc1ccc(-c2cc(C(=O)O)no2)cc1 25757420 COJFDXBUKAUVFI-UHFFFAOYSA-N 235.264 2.762 0 50 BFAA CC(=O)CN1CCc2c(ccc3ccccc23)C1 36372534 YICZHSMLLVYFQC-UHFFFAOYSA-N 239.318 2.787 0 50 BFAA Cc1ccsc1CNCc1cccnc1 55155560 VOVRHUWSBMAWBL-UHFFFAOYSA-N 218.325 2.741 0 50 BFAA CCCOc1cc(C)c(C(=O)O)c(C)c1 71456962 SYHZOPOTVGUEAZ-UHFFFAOYSA-N 208.257 2.790 0 50 BFAA c1cnc(NCc2cccc3cnccc23)nc1 170087123 PEIJYBBATXEZLO-UHFFFAOYSA-N 236.278 2.637 0 50 BFAA Brc1ccc2c(c1)CN(C1CC1)C2 203892700 TVDFOHQZQBXSFX-UHFFFAOYSA-N 238.128 2.927 0 50 BFAA Cc1coc(C)c1C(=O)N[C@@H]1CC[C@H](F)C1 335343089 ZGKODAJSDMIPAZ-VHSXEESVSA-N 225.263 2.517 0 50 BFAA CC(C)(C)n1ncnc1COCc1ccccc1 822289247 GVKONQWGSTWCTF-UHFFFAOYSA-N 245.326 2.750 0 50 BFAA O=C(NOCc1ccccc1)Nc1ccccc1 41395 AGVZBCZHWKBGBO-UHFFFAOYSA-N 242.278 2.940 0 50 BFAA Fc1ccc(CNCc2ccncc2)cc1 360345 JRQUWLWSOCBVKB-UHFFFAOYSA-N 216.259 2.511 0 50 BFAA Cc1nc2cc(C(F)(F)F)ccc2[nH]1 371901 MXJRRPABGUWERH-UHFFFAOYSA-N 200.163 2.890 0 50 BFAA in-vitro O=C(NCc1ccncc1)Nc1ccc(F)cc1 472136 VRACOZNWSSHEAU-UHFFFAOYSA-N 245.257 2.542 0 50 BFAA NC(=S)c1ccc(Cl)c(Cl)c1 2540602 FLRBZGVTWSWQNV-UHFFFAOYSA-N 206.097 2.628 0 50 BFAA in-vitro CCc1ccc(NC(=O)c2cc(C)on2)cc1 3908613 WAGNQISRDRZMKF-UHFFFAOYSA-N 230.267 2.798 0 50 BFAA CCOc1ccc(C=O)cc1CN1CCCCC1 4992707 WOEHFCUOOYMGNF-UHFFFAOYSA-N 247.338 2.884 0 50 BFAA CCC1CCC(N2CCC[C@@H](CO)C2)CC1 5092918 DVMFNFWFUWAPQI-ROKHWSDSSA-N 225.376 2.660 0 50 BFAA CCOc1ccccc1OCCCN1CCCC1 5127530 JLRHEDOHTPTETR-UHFFFAOYSA-N 249.354 2.950 0 50 BFAA O=C(c1ccccn1)c1ccccc1Cl 6095239 XSPNJXJVXUZKPE-UHFFFAOYSA-N 217.655 2.966 0 50 BFAA in-vitro Cc1ccn2cc(-c3ccc(N)cc3)nc2c1 8160802 ZMLUDLQZWAWHGB-UHFFFAOYSA-N 223.279 2.892 0 50 BFAA in-vitro O=C(c1ccccc1)c1cnc2ccccn12 13207511 KENNIKKVQDCFIX-UHFFFAOYSA-N 222.247 2.565 0 50 BFAA Cc1nc2cc(Br)ccc2o1 15042932 ZBCCSPFGJDVVJB-UHFFFAOYSA-N 212.046 2.899 0 50 BFAA in-vitro C[C@@H]1Cc2cc(Br)ccc2O1 37176589 FEPPMMHYULGHKP-ZCFIWIBFSA-N 213.074 2.773 0 50 BFAA in-vitro CC1(C)c2cc(O)ccc2O[C@@H]1N1CCCCC1 39391717 ITRLVVKTHRNGDT-AWEZNQCLSA-N 247.338 2.874 0 50 BFAA CC(C)(C)OC(=O)n1ccc2cc(CO)ccc21 40442659 XIMLBZMOOXHPJQ-UHFFFAOYSA-N 247.294 2.917 0 50 BFAA COC(=O)c1cc(Cl)nc(C(C)(C)C)c1 145035614 SACWINYAICXFNG-UHFFFAOYSA-N 227.691 2.819 0 50 BFAA in-vitro CCc1cc(O)ccc1NC(=O)[C@H]1C[C@H]1C 191014960 GPUSEFGLBZWAAO-KCJUWKMLSA-N 219.284 2.549 0 50 BFAA C[C@@H]1CN(CCC(=O)O)CC[C@@H]1c1ccccc1 237446998 WZLWUSHJUJQOJR-OCCSQVGLSA-N 247.338 2.587 0 50 BFAA CCC1(CC)CCCN(CCC(=O)O)CC1 261586313 QZWXZYIGLNOKAB-UHFFFAOYSA-N 227.348 2.753 0 50 BFAA c1cncc(COc2ccc3c(c2)CCCO3)c1 289772802 MFQCDTLJQXMOGI-UHFFFAOYSA-N 241.290 2.986 0 50 BFAA C[C@H]1CN(C[C@H]2CCOC2)c2ccccc21 334221056 WFIJWIACJJPONH-NWDGAFQWSA-N 217.312 2.647 0 50 BFAA CCC1(C)CCN(c2ncnc3[nH]ccc23)CC1 339133364 OKCPYIJKIIRTTJ-UHFFFAOYSA-N 244.342 2.974 0 50 BFAA COc1ccc2cc(O[C@H](C)C(=O)O)ccc2c1 585122800 MQNHSOQKEUDCOW-SECBINFHSA-N 246.262 2.700 0 50 BFAA C1CCCn2c(nnc2[C@H]2CCCCO2)CC1 630951625 MQZGDFSHHKCGJF-LLVKDONJSA-N 235.331 2.636 0 50 BFAA CCn1ccc(CN[C@H](C)C2=CCCCC2)n1 952977560 XWUWKUCEGIHHTA-GFCCVEGCSA-N 233.359 2.882 0 50 BFAA CCC[C@H](C)NCc1ncc(C(F)(F)F)[nH]1 1875275028 QFVSAFYHTGHWST-ZETCQYMHSA-N 235.253 2.707 0 50 BFAA CCOC(=O)Nc1ccc(OC)c(Cl)c1 145442 NATGJZOFOGCRPP-UHFFFAOYSA-N 229.663 2.917 0 50 BFAA C/C=C(\C)CN1CCN(c2ccccc2F)CC1 215940 SYPSJOXDTHZLDU-QLKAYGNNSA-N 248.345 2.914 0 50 BFAA CC(C)(C)OC(=O)Nc1ccc(C(=O)O)cc1 404741 ZJDBQMWMDZEONW-UHFFFAOYSA-N 237.255 2.732 0 50 BFAA COc1ccc(CNC(=O)c2ccccc2)cc1 406307 FPRGYYWYHOYPOK-UHFFFAOYSA-N 241.290 2.625 0 50 BFAA Cc1cc(Br)c(NC=O)cc1C 461689 HHKXSOLGVBKPDA-UHFFFAOYSA-N 228.089 2.634 0 50 BFAA Cn1c(C(=O)O)cc2cc(Cl)ccc21 523721 UTJVSPKRDDKHND-UHFFFAOYSA-N 209.632 2.530 0 50 BFAA in-vitro Cc1ccccc1-c1ccc(C(=O)O)o1 2525689 SZMXDXBNMHKBAJ-UHFFFAOYSA-N 202.209 2.953 0 50 BFAA CC[C@H](C)NCCOc1ccc(F)cc1 2823106 GWERFYAUHIWJAQ-JTQLQIEISA-N 211.280 2.593 0 50 BFAA CC(C)(Oc1cccc(Cl)c1)C(=O)O 5439160 PZBIVIXQLIVFHJ-UHFFFAOYSA-N 214.648 2.582 0 50 BFAA in-vitro Brc1nnc(-c2ccccc2)s1 11920543 NVQXBSUUWVZRCA-UHFFFAOYSA-N 241.113 2.968 0 50 BFAA Cc1cc(OCC(F)(F)F)ccc1N 12395207 NPEPNENAHKUYMT-UHFFFAOYSA-N 205.179 2.518 0 50 BFAA COC(=O)c1cc2c(C(F)(F)F)cccc2[nH]1 34792397 HEEQKKQXILYZNF-UHFFFAOYSA-N 243.184 2.973 0 50 BFAA in-vitro O=C(O)c1cccc(-c2cccc(F)c2)n1 35630170 LNVROFCFAZOMJU-UHFFFAOYSA-N 217.199 2.586 0 50 BFAA in-vitro Clc1cc(Cl)nc(-c2ccccn2)n1 38844033 NBAPGMJZRHWJAA-UHFFFAOYSA-N 226.066 2.845 0 50 BFAA in-vitro COc1ccc(-c2cc(C)cnc2N)cc1F 70405149 CJMBCOJSAKFFLU-UHFFFAOYSA-N 232.258 2.787 0 50 BFAA COC(=O)c1cc(-c2cccc(N)c2)ccc1F 85210192 WIVLLDXKVULXCZ-UHFFFAOYSA-N 245.253 2.862 0 50 BFAA in-vitro CC(=O)Sc1ccc(-c2ccnn2C)cc1 113599116 QGRWLVMPEFHGNB-UHFFFAOYSA-N 232.308 2.726 0 50 BFAA O=C(O)c1ccc2cc(Cl)c(F)cc2n1 230094346 SEEYEOWRFAHCDM-UHFFFAOYSA-N 225.606 2.726 0 50 BFAA O=C(Nc1ccsc1)N1CCC=C(F)C1 274554804 ARYHRGWXCPCLSD-UHFFFAOYSA-N 226.276 2.839 0 50 BFAA CN[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1c1ccc(F)cc1 526058953 FNZPIQOIWZUNAL-CDGCEXEKSA-N 219.303 2.927 0 50 BFAA Cc1cnc(CN[C@H](C)C2=CCCCC2)[nH]1 952981310 SLDNTPOFCCWILF-LLVKDONJSA-N 219.332 2.697 0 50 BFAA O[C@H]1CCCN(C[C@H]2CCC=CCCC2)CC1 952991574 ARZVSIBCPTZFAK-GJZGRUSLSA-N 237.387 2.970 0 50 BFAA c1ccc(-c2nccn2Cc2ccccn2)cc1 1875244422 JMUVEQMHRLRWBD-UHFFFAOYSA-N 235.290 2.993 0 50 BFAA CCNC(=O)c1ccc2ncccc2c1Cl 2325815755 AIEUXKUEFTXHQV-UHFFFAOYSA-N 234.686 2.638 0 50 BFAA CC[C@@H](C)NC(=O)NCc1ccccc1Cl 137451 MMJUJRNDBHUHAI-SECBINFHSA-N 240.734 2.938 0 50 BFAA CCO[C@@]12CCCC[C@@H]1C(=O)N2c1ccccc1 333305 WMQKYGLGFAQUCD-HIFRSBDPSA-N 245.322 2.956 0 50 BFAA CCCOc1ccc2nc(N)sc2c1 1791861 QJWBDYBQSKYQKM-UHFFFAOYSA-N 208.286 2.667 0 50 BFAA COc1ccc2[nH]cc(C3=CCNCC3)c2c1 2568243 KRVMLPUDAOWOGN-UHFFFAOYSA-N 228.295 2.553 0 50 BFAA investigational CCCCOC(=O)c1ccc(NC(C)=O)cc1 3002618 TYCZFKFSOQONBM-UHFFFAOYSA-N 235.283 2.602 0 50 BFAA Nc1cccc(-c2nc(-c3ccccc3)no2)c1 3882671 RTUMKDLRVKWGAS-UHFFFAOYSA-N 237.262 2.986 0 50 BFAA Cc1nc(-c2cccs2)c(CC(=O)O)s1 3886925 SQRSWZAVFSYARR-UHFFFAOYSA-N 239.321 2.807 0 50 BFAA CC(C)(C)NCCCOc1ccc(F)cc1 6681784 MWFTZGZBZXCQTK-UHFFFAOYSA-N 225.307 2.983 0 50 BFAA N[C@H](c1ccccc1)c1ccc2[nH]cnc2c1 9115516 CSGGYTQFKDJKFI-CQSZACIVSA-N 223.279 2.611 0 50 BFAA in-vitro CCCN1CC[C@H]2c3cc(O)ccc3CC[C@H]21 9225342 LJDRQPOQHHOXHM-DZGCQCFKSA-N 231.339 2.906 0 50 BFAA biogenic O=C(Nc1cc(F)ccc1F)c1cccnc1 13325594 ZXUXIULIEGKAEJ-UHFFFAOYSA-N 234.205 2.612 0 50 BFAA Cc1nc2sc3c(c2c(=O)[nH]1)CCCCC3 13597904 JDHCOFMQBOZSMO-UHFFFAOYSA-N 234.324 2.562 0 50 BFAA Brc1nc(-c2ccccn2)cs1 65731444 VRJPUEYEMIISBG-UHFFFAOYSA-N 241.113 2.968 0 50 BFAA in-vitro Cc1cc(N)c(Cl)c(Br)c1 67796554 RXLNTBOIPLOOEA-UHFFFAOYSA-N 220.497 2.993 0 50 BFAA Nc1cccc2c1ncn2Cc1ccccc1 95217990 CCLYBXATLKLSKT-UHFFFAOYSA-N 223.279 2.667 0 50 BFAA in-vitro CC(=O)N[C@@]12C[C@@H]3C[C@@](C)(C[C@@](C)(C3)C1)C2 100054012 WVIRSYCDAYUOMJ-YXSUXZIUSA-N 221.344 2.872 0 50 BFAA in-vitro C[C@@H](C(=O)Nc1ccccn1)c1cccc(F)c1 173018872 NLDMDVNMFSEBES-SNVBAGLBSA-N 244.269 2.963 0 50 BFAA Cc1ccc([C@H]2CCC[C@H]2N(C)CC(=O)O)cc1 262671206 RRXZMDYELSYBEX-ZIAGYGMSSA-N 247.338 2.648 0 50 BFAA CC12CC(CN1C(=O)C[C@@H]1C[C@H]3CC[C@H]1C3)C2 585113929 AGODUTIOJGLPIA-AQAWDFJWSA-N 233.355 2.824 0 50 BFAA CCCCC[S@](=O)Cc1cc(C)nc(C)n1 594667174 UGYQOZPCKNWNRS-INIZCTEOSA-N 240.372 2.532 0 50 BFAA O=C(Nc1cc(Cl)ccc1O)c1ccco1 98429 HKJDMLBNEXKOJI-UHFFFAOYSA-N 237.642 2.891 0 50 BFAA Cc1cc(C)nc(Nc2ccc(F)cc2)n1 150108 LRFHPZOCXXBLIK-UHFFFAOYSA-N 217.247 2.976 0 50 BFAA C[C@@H]1CCCN(C(=O)NC2CCCCC2)C1 473886 PLTSENDLOHFIRG-LLVKDONJSA-N 224.348 2.761 0 50 BFAA O=C(O)c1cc(F)c(C(F)(F)F)cc1F 2382331 DMVHPNBSOAALGT-UHFFFAOYSA-N 226.100 2.682 0 50 BFAA in-vitro OCCSc1ccccc1Br 2511061 IQSSYWVFPQBQLS-UHFFFAOYSA-N 233.130 2.534 0 50 BFAA Clc1ccc(CC2CCNCC2)cc1 2513150 VPESQEWIPDEGSY-UHFFFAOYSA-N 209.720 2.882 0 50 BFAA in-vitro CN(C)C(=O)c1cnc(Cl)c2ccccc12 3041689 DRPUDBSXSRQPCY-UHFFFAOYSA-N 234.686 2.590 0 50 BFAA C/C=C/C(=O)Nc1ccc(C(=O)CC)cc1 5916417 OCSCMXVCYUELCQ-HWKANZROSA-N 217.268 2.794 0 50 BFAA O=c1c2c([nH]c3ccccc13)CCCCC2 13658212 LDMBBNQWWBTULE-UHFFFAOYSA-N 213.280 2.797 0 50 BFAA Cc1ccc(O[C@H](C)c2nnc(S)n2C)cc1 16973678 IJHSPALLUGDQLM-SECBINFHSA-N 249.339 2.552 0 50 BFAA in-vitro O=C(O)c1ccc(-c2ccc(F)cc2F)nc1 39927701 PFOATVDDIXDITI-UHFFFAOYSA-N 235.189 2.725 0 50 BFAA in-vitro CC(C)(C)OC(=O)N1[C@H]2C=CCC23CC=C[C@H]13 97455257 QONDMLQEWGSYFB-RFMBEDMFSA-N 233.311 2.881 0 50 BFAA O[C@@H]1CCCC[C@H]1N1CC[C@H](c2ccccc2)C1 101834623 LRWOETBLULBTDE-ARFHVFGLSA-N 245.366 2.779 0 50 BFAA COC1CCC(Nc2cccc(CO)c2)CC1 129927239 MTYIWFKCHZOQSV-UHFFFAOYSA-N 235.327 2.548 0 50 BFAA CCN(Cc1cccc(Cl)c1)C[C@H](C)O 172563554 ZCMFEDGBWZWQOV-JTQLQIEISA-N 227.735 2.543 0 50 BFAA C[C@@H](NC(=O)c1cccnc1)[C@H]1C[C@H]2CC[C@H]1C2 243497482 NTMANIMIVFSVIN-OWTLIXCDSA-N 244.338 2.636 0 50 BFAA Cc1cccc2cc(C(=O)N3CC(C)C3)[nH]c12 2325702665 GZWQGELZXZHHEW-UHFFFAOYSA-N 228.295 2.568 0 50 BFAA CC1=NC(C)(C)Cc2cc3c(cc21)OCCO3 107818 MYMCQYUFHFLQCL-UHFFFAOYSA-N 231.295 2.602 0 50 BFAA Cc1ccc(NC(=O)c2ccncc2)c(C)c1 119445 JJISKQWGDKMORH-UHFFFAOYSA-N 226.279 2.951 0 50 BFAA Cc1nc(-c2ccc(CO)s2)cs1 158869 CQCKNGVVCKWDLF-UHFFFAOYSA-N 211.311 2.672 0 50 BFAA in-vitro O=C(O)c1cccc(-c2nc3ccccc3[nH]2)c1 196419 BQKXFNQLZLSSEP-UHFFFAOYSA-N 238.246 2.928 0 50 BFAA CCOc1cccc(C(=O)Nc2nccs2)c1 293814 FSVDGFBFHIAZHT-UHFFFAOYSA-N 248.307 2.794 0 50 BFAA Cc1ccc2cc(C(=O)O)c(C)nc2c1 332976 WKTYGVBJWKJPEY-UHFFFAOYSA-N 201.225 2.550 0 50 BFAA in-vitro Cc1onc(-c2ccccc2)c1C(=O)NC(C)C 350748 UAQYVUIYQCEOOI-UHFFFAOYSA-N 244.294 2.788 0 50 BFAA C[C@@]1(c2ccccc2)NC(=O)c2ccccc2O1 365309 OAJLOMFJUSZIIM-OAHLLOKOSA-N 239.274 2.682 0 50 BFAA Cc1ccccc1NC(=O)NCc1cccnc1 395434 XJXBEHAMLROIMQ-UHFFFAOYSA-N 241.294 2.712 0 50 BFAA Cc1cccc(Cl)c1NC(=O)C1CC1 401515 FJNPGYGJOYLLRH-UHFFFAOYSA-N 209.676 2.997 0 50 BFAA O=C(O)/C(Br)=C/c1ccccc1 1689856 HBMGEXMZDMAEDN-VURMDHGXSA-N 227.057 2.507 0 50 BFAA CCOc1ccccc1I 1699886 JUJREUXKABNEFA-UHFFFAOYSA-N 248.063 2.690 0 50 BFAA CCOC(=O)c1c(Cl)cc(Cl)nc1C 2551677 LNIMLSAAPISOEC-UHFFFAOYSA-N 234.082 2.874 0 50 BFAA in-vitro O=C(O)c1[nH]c2ccccc2c1Br 3201434 KOTZNHLNBDTYMS-UHFFFAOYSA-N 240.056 2.629 0 50 BFAA in-vitro O[C@H]1CCCC[C@@H]1n1cnc2ccccc21 12323769 VUBLCPRAFDAFRO-STQMWFEESA-N 216.284 2.512 0 50 BFAA O=c1ncc(-c2cccc3ccccc23)c[nH]1 32523810 YYZLHHQCUOWSSH-UHFFFAOYSA-N 222.247 2.590 0 50 BFAA C[C@H](NCC(=O)OC(C)(C)C)c1ccccc1 37390555 QHTPDEHJFMZAOC-NSHDSACASA-N 235.327 2.679 0 50 BFAA OCC1CCN(c2nc3ccccc3s2)CC1 40444390 YFPHYZQGLSKXQE-UHFFFAOYSA-N 248.351 2.505 0 50 BFAA CCOC(=O)CCCC[C@@H]1C=CC(=O)CC1 45071667 UDVXXKZTSBGMEF-LLVKDONJSA-N 224.300 2.645 0 50 BFAA COc1ccc(/C=C/c2ccccc2)nn1 65408595 OIZZQKHFDLQQFJ-BQYQJAHWSA-N 212.252 2.656 0 50 BFAA Nc1cc(Cl)cc(Br)c1F 66054998 CSHMFIIPOVGVDN-UHFFFAOYSA-N 224.460 2.824 0 50 BFAA in-vitro Clc1cc2cn[nH]c2cc1Br 89157365 RFOWTBQSXKQLNW-UHFFFAOYSA-N 231.480 2.979 0 50 BFAA in-vitro COC(=O)c1cc(N)ccc1-c1ccccc1 145282737 ZTTGBNZKWPTJEE-UHFFFAOYSA-N 227.263 2.722 0 50 BFAA C[C@H]1C[C@@H](C)CN(CN2C[C@H](C)C[C@@H](C)C2)C1 222525890 FWHHSHGFMAGIGE-TUVASFSCSA-N 238.419 2.900 0 50 BFAA C[C@H]1C[C@@H](C)O[C@H]1c1nc(-c2ccoc2)no1 289157889 UHHALKIMTCRBLP-QXFUBDJGSA-N 234.255 2.816 0 50 BFAA N=C(O)[C@@H]1C[C@@H](F)CN1CC1CCCCC1 335319743 GGTYMKNUFNJARR-MNOVXSKESA-N 228.311 2.514 0 50 BFAA Cc1cc(C2CCC2)nc(-c2cncnc2)n1 426491617 ZEKUXPFQNWLFLQ-UHFFFAOYSA-N 226.283 2.510 0 50 BFAA CC[C@H](C)COC(=O)C[C@@H](CN)CC(C)C 585090045 CTZMWTWKTSWMEA-RYUDHWBXSA-N 229.364 2.587 0 50 BFAA CC[C@H](CC[C@@H](C)O)C[C@H]1CCCO1 52614 WRDHXNUNGYABFV-IJLUTSLNSA-N 200.322 2.743 0 50 BFAA Cc1ccc(NC(=O)CCN2CCCCC2)cc1 176402 QOEOJNGBKNJIGK-UHFFFAOYSA-N 246.354 2.810 0 50 BFAA CNC(=O)Oc1ccc(N(C)C)c(C(C)C)c1 400119 VUOHCVUWIJECAN-UHFFFAOYSA-N 236.315 2.594 0 50 BFAA Cc1cccc(Cl)c1OCCn1ccnc1 431678 XZWFHEUUFIGTOL-UHFFFAOYSA-N 236.702 2.924 0 50 BFAA CC(C)OC(=O)c1c(N)sc2c1CCCC2 438370 ZSGGSRFAUQJEGT-UHFFFAOYSA-N 239.340 2.774 0 50 BFAA C[C@H](c1cc2ccccc2s1)N(O)C(N)=O 896731 MWLSOWXNZPKENC-SSDOTTSWSA-N 236.296 2.732 0 50 BFAA biogenic,fda C[C@H](Oc1ccc2ccccc2c1)C(=O)O 967842 HMIVVAPMRQMNAK-VIFPVBQESA-N 216.236 2.692 0 50 BFAA biogenic,in-vitro CC(C)c1nnc2sc(-c3ccccc3)nn12 2437859 OBVMDUUKKWPBBX-UHFFFAOYSA-N 244.323 2.976 0 50 BFAA Fc1cccc(F)c1I 2525762 VQMXWPLTZBKNEH-UHFFFAOYSA-N 239.990 2.569 0 50 BFAA in-vitro O=C(c1cccc(Cl)c1)C1CCNCC1 2525871 FLHXKXFYBCXERX-UHFFFAOYSA-N 223.703 2.522 0 50 BFAA in-vitro Cc1nc2cc(Cl)ccc2cc1C(=O)O 2555424 MBUYIVCGUGFJFH-UHFFFAOYSA-N 221.643 2.895 0 50 BFAA in-vitro CCOC(=O)Cc1ccc2sc(C)nc2c1 3207021 YUFLLWROFACHAG-UHFFFAOYSA-N 235.308 2.710 0 50 BFAA Nc1nnc(Nc2ccc(Cl)cc2)s1 6322259 NEIFCGOCRPXVJK-UHFFFAOYSA-N 226.692 2.517 0 50 BFAA c1ccc2c(c1)C[C@H](NCC1CCCC1)CO2 12299390 JVVPYSKDDLKZIH-AWEZNQCLSA-N 231.339 2.770 0 50 BFAA COc1cc(OC)c2c(Cl)ccnc2c1 35731097 JSOONZDJCBQKRD-UHFFFAOYSA-N 223.659 2.905 0 50 BFAA in-vitro Cc1ccc([C@@H](O)C(F)(F)F)c(C)c1 42268319 JRWQOLMAHKQNNF-SECBINFHSA-N 204.191 2.899 0 50 BFAA O=Cc1cnc2ccc(Br)cc2c1 82331841 PCHCYMZZDAUVQB-UHFFFAOYSA-N 236.068 2.810 0 50 BFAA in-vitro CN(Cc1cscn1)C(=O)OC(C)(C)C 82610353 WCDIOOYYZFRMLF-UHFFFAOYSA-N 228.317 2.510 0 50 BFAA NC1=CC=CN2C=CC=C[C@@H]2c2ccccc21 114002429 ORLYMAFFKQODAU-OAHLLOKOSA-N 222.291 2.940 0 50 BFAA CC(C)(C)OC(=O)[C@H]1CCNc2ccccc21 167217544 ZUCQWEXUKWQYRO-NSHDSACASA-N 233.311 2.928 0 50 BFAA CCc1ccc(CN2CCC[C@@]2(CC)CO)cc1 170603281 UNJAYVIRWHHEGN-INIZCTEOSA-N 247.382 2.986 0 50 BFAA O=C1CC[C@@H](c2ccc(C(F)(F)F)cc2)CN1 211138749 LGEVYJYGEQLUMF-SECBINFHSA-N 243.228 2.699 0 50 BFAA O=C(O)c1nc2cccc(F)c2n1C1CCC1 255190296 WGKVRIXVAGTXLH-UHFFFAOYSA-N 234.230 2.599 0 50 BFAA Oc1cc(F)cc(Cl)c1Br 263623993 MLRPPBYKVCYWRY-UHFFFAOYSA-N 225.444 2.947 0 50 BFAA c1coc(CSCc2cnns2)c1 287590365 RIEZYGWVKNGYDX-UHFFFAOYSA-N 212.299 2.565 0 50 BFAA Cc1cnc(NCCc2ccccc2F)nc1C 301882483 MWEJWCKULNJQLY-UHFFFAOYSA-N 245.301 2.887 0 50 BFAA O=C(O)c1ccccc1-c1cc(C2CC2)ncn1 534638503 QVFPVZKWZUXUPG-UHFFFAOYSA-N 240.262 2.719 0 50 BFAA CC(C)(C)c1n[nH]c(COc2cccc(F)c2)n1 584888676 MCCKQHBSKGFLEN-UHFFFAOYSA-N 249.289 2.820 0 50 BFAA CC[C@@H](NC(=O)CC(C)=C(C)C)[C@H](O)C(C)C 585132218 QQJLGKIRUHUJEX-TZMCWYRMSA-N 241.375 2.645 0 50 BFAA Cc1cc(O)nc(C=Cc2cc(F)ccc2F)n1 1857529849 DLTQRIUFQMVJEJ-UHFFFAOYSA-N 248.232 2.939 0 50 BFAA O=C1Cc2ccccc2N1c1ccccc1 41212 OWPNVXATCSXTBK-UHFFFAOYSA-N 209.248 2.907 0 50 BFAA biogenic,in-vitro O=C(Nc1ccccc1)[C@@H](O)C1CCCCC1 332048 KNNBOEMWWVSUES-ZDUSSCGKSA-N 233.311 2.566 0 50 BFAA Cn1cccc1-c1nc2ccccc2n1C 350176 YYBSXIPKDCHDTJ-UHFFFAOYSA-N 211.268 2.579 0 50 BFAA OCc1cccc(Oc2ccccc2)c1 391848 KGANAERDZBAECK-UHFFFAOYSA-N 200.237 2.971 0 50 BFAA biogenic,in-vitro O=Cc1ccccc1-c1ccccc1CO 1257836 CKJGQXFEQUSMSB-UHFFFAOYSA-N 212.248 2.658 0 50 BFAA C[C@@H]1C[C@H]1C(=O)Nc1ccc(Cl)cc1 3433565 LDOICKODKWUUEX-GMSGAONNSA-N 209.676 2.935 0 50 BFAA CCCCN[C@H](C)[C@H]1COc2ccccc2O1 4025788 XFPBCCYIVGJTOP-BXUZGUMPSA-N 235.327 2.605 0 50 BFAA biogenic Cc1cc2nccc(-c3ccc(F)cc3)n2n1 5697974 AWUHRMVOOVHZDH-UHFFFAOYSA-N 227.242 2.844 0 50 BFAA Nc1[nH]nc(C(F)(F)F)c1-c1ccc(F)cc1 12374682 TXXIFEKWBMRTQX-UHFFFAOYSA-N 245.179 2.817 0 50 BFAA CCOc1ccc(C(=O)N[C@@H](C)CC)cc1C 13582200 KGCIDBXYCBWMEU-NSHDSACASA-N 235.327 2.922 0 50 BFAA Clc1cc(Cl)cc([C@H]2CNCCO2)c1 15020729 FLCUDNDPRMIYHA-SNVBAGLBSA-N 232.110 2.654 0 50 BFAA in-vitro COc1cc(O)cc(-c2cccc(C(=O)O)c2)c1 65336987 HBZVMOPBHNADOF-UHFFFAOYSA-N 244.246 2.766 0 50 BFAA in-vitro CNc1cc(C)nc(-c2ccc3[nH]ccc3c2)n1 67540440 LSUXBCZOOAUZRN-UHFFFAOYSA-N 238.294 2.975 0 50 BFAA C[C@@H]1C[C@@]1(Cl)[S@@](=O)c1ccccc1 95627052 BASQNYBLNPBUEJ-ZDSQKVDBSA-N 214.717 2.769 0 50 BFAA C[C@H](C(=O)O)N(C)Cc1csc2ccccc12 111312653 JWFBLCKATLCQFO-SECBINFHSA-N 249.335 2.806 0 50 BFAA CCOC(=O)c1cscc1Br 113603490 LARLHLAYBCZHLV-UHFFFAOYSA-N 235.102 2.687 0 50 BFAA Cc1cc(Cl)ccc1CNC[C@@H](C)CCO 129908538 VFEZZRFVXGMLAK-JTQLQIEISA-N 241.762 2.757 0 50 BFAA CC[C@H](N[C@H](c1ccccc1)C1CCC1)C(=O)O 191424915 NBTYLQBRCHFRCX-UONOGXRCSA-N 247.338 2.981 0 50 BFAA COC(=O)[C@H](NCC=C(C)C)c1ccsc1 192007644 FFBPIPCQOGJRMN-LLVKDONJSA-N 239.340 2.518 0 50 BFAA C[C@H]1C[C@@H](C)CN([C@H](C)c2nc(C3CC3)no2)C1 195660983 SRDITENRFDOUDC-OUAUKWLOSA-N 249.358 2.986 0 50 BFAA CC[C@H](C)N[C@@H](C)CCCC(C)(C)O 200521218 XMVVNMIHLLIKAJ-QWRGUYRKSA-N 201.354 2.704 0 50 BFAA OCC12CCC(C(F)(F)F)(CC1)CC2 224089662 RSXLNNJTFYAAAV-UHFFFAOYSA-N 208.223 2.882 0 50 BFAA in-vitro C1CCN2CC[C@H](NC3CC4(CCC4)C3)[C@@H]2C1 336251622 BCVBKARHIYGVIA-KBPBESRZSA-N 234.387 2.536 0 50 BFAA CCSc1ccccc1NC(=O)c1cnc[nH]1 823426742 VAWLDKSKJVFQKL-UHFFFAOYSA-N 247.323 2.774 0 50 BFAA O=c1[nH]c2cc(Cl)c(Br)cc2o1 1052 KVAWWXSLBDVXHJ-UHFFFAOYSA-N 248.463 2.537 0 50 BFAA in-man O=C(NCCc1ccccc1)c1ccccc1F 29741 NKLQTEVEGVFUQY-UHFFFAOYSA-N 243.281 2.798 0 50 BFAA biogenic COc1cccc(OCc2ccc(C(=O)O)o2)c1 133383 BTJZFEPNCDYRKU-UHFFFAOYSA-N 248.234 2.565 0 50 BFAA in-vitro Cn1c(-c2ccc(C=O)o2)nc2ccccc21 452757 ZDCNWNJMCTVNCE-UHFFFAOYSA-N 226.235 2.646 0 50 BFAA in-vitro C[C@@H](Oc1ccccc1)c1n[nH]c(=S)n1C 5954528 OBQMSUPVWZLDOP-MRVPVSSYSA-N 235.312 2.618 0 50 BFAA in-vitro Cc1cc(C)n(Cc2cnc(Cl)s2)n1 6189283 HEUHBYIGECRPTN-UHFFFAOYSA-N 227.720 2.658 0 50 BFAA COc1ccc([C@@H](C(=O)O)c2ccccc2)cc1 8729715 LLILURMTCOXPIU-AWEZNQCLSA-N 242.274 2.912 0 50 BFAA CCN(C(=O)c1cccc(N)c1)c1ccccc1 11757655 OCIBKKXEWNLBOJ-UHFFFAOYSA-N 240.306 2.936 0 50 BFAA Cc1cc(Br)cc2[nH]ncc12 14984647 OIVUHPTVQVCONM-UHFFFAOYSA-N 211.062 2.634 0 50 BFAA in-vitro CC1CCN(c2ccc(N)cc2F)CC1 20352152 PPWOKXFIFJMCRB-UHFFFAOYSA-N 208.280 2.644 0 50 BFAA NCC1(c2cccc(Br)c2)CCC1 36379858 KNGDQEVWRCWFDK-UHFFFAOYSA-N 240.144 2.830 0 50 BFAA COC(=O)CCCn1ccnc1-c1ccccc1 38302783 MZZXGGIGIAYECE-UHFFFAOYSA-N 244.294 2.503 0 50 BFAA Cc1cc(CN(C)Cc2coc(C(C)C)n2)on1 97729525 RGVIZMCAAJDCAP-UHFFFAOYSA-N 249.314 2.726 0 50 BFAA Nc1cnc2ccc(OC(F)(F)F)cc2c1 141603650 PFQIBMWSVRMIMA-UHFFFAOYSA-N 228.173 2.716 0 50 BFAA CCOC(=O)c1nnc(-c2cccc(C)c2)s1 259501169 ATACNBJBFHKAQC-UHFFFAOYSA-N 248.307 2.690 0 50 BFAA O=Cc1oc(C(F)(F)F)cc1Br 725378694 HIMNYMHXKFYMEM-UHFFFAOYSA-N 242.978 2.873 0 50 BFAA C=CC(=O)N[C@@H]1c2cccc(F)c2CC[C@H]1C 791380405 QPJRATHUJYSWIM-OTYXRUKQSA-N 233.286 2.751 0 50 BFAA CC[S@](=O)C12CC3CC(CC(C3)C1)C2 1875256627 JQAPEFGVCCNKKP-GDQZSGTLSA-N 212.358 2.724 0 50 BFAA Cc1cc(C)c(NC(=O)C2CC2)c(C)c1 45941 RJGYHYNPOQXNHW-UHFFFAOYSA-N 203.285 2.960 0 50 BFAA Cc1ccc(/C=C/C(=O)NCc2ccccc2)o1 106410 RWPSQULMQXEMSN-MDZDMXLPSA-N 241.290 2.918 0 50 BFAA CC[C@@H](C)Cn1c(CO)nc2ccccc21 352649 MXFLVMFCQOGHHM-SNVBAGLBSA-N 218.300 2.575 0 50 BFAA Cc1ccc(C)c(CNC(=O)NC(C)(C)C)c1 398724 JTXRGHVTOUBDMG-UHFFFAOYSA-N 234.343 2.901 0 50 BFAA CC[C@@H](C)NC(=O)/C=C/c1ccccc1 555140 HOKNEZLZDQSGDN-PBQZMEPESA-N 203.285 2.615 0 50 BFAA CCOC(=O)[C@H]1C[C@@H]1c1ccc(C)cc1 2731911 JWOBMCBGTXAJBG-NEPJUHHUSA-N 204.269 2.662 0 50 BFAA Cc1ccc(Cl)c(OCCCN(C)C)c1 2823078 WWTZPCDTUZRROB-UHFFFAOYSA-N 227.735 2.979 0 50 BFAA C[C@@H]1O[C@H](C)[C@H]2Cc3ccccc3[C@@H]2O1 3995521 SHWFPOIJJLMZKA-RQSQLSILSA-N 204.269 2.681 0 50 BFAA CC[C@H](NC(=O)c1ccccn1)c1ccccc1 4783737 PAXGZHDLMSJCFZ-ZDUSSCGKSA-N 240.306 2.963 0 50 BFAA CCn1c(S)nnc1-c1csc(C)c1C 5686877 BFYUHUPSLYRBIE-UHFFFAOYSA-N 239.369 2.932 0 50 BFAA CCCCS(=O)(=O)Nc1cccc(C)c1C 6706482 KHNVAYIONMRBRT-UHFFFAOYSA-N 241.356 2.845 0 50 BFAA C[C@H](NC(=O)NC1CCCCC1)c1ccccn1 13744690 FYIIUYIWILOZRM-NSHDSACASA-N 247.342 2.775 0 50 BFAA CC(C)c1ccc(CN2CCOCC2)cc1 19633392 WJZIKYXGLAUBED-UHFFFAOYSA-N 219.328 2.642 0 50 BFAA C[C@@H]1CCCCN1c1ccc(N)cc1F 20135734 RBKAJYHQGRRHKQ-SECBINFHSA-N 208.280 2.787 0 50 BFAA C[C@@H]1CN(Cc2ccc(F)c(F)c2)C[C@@H](C)O1 23114701 CVNSXCFVYUQSAW-NXEZZACHSA-N 241.281 2.574 0 50 BFAA CCSc1ccc(Br)cn1 42351437 LOZFITIIRWTYPM-UHFFFAOYSA-N 218.119 2.956 0 50 BFAA in-vitro Cc1ccc(NC(=O)Cc2c(C)n[nH]c2C)cc1 44803142 BFCVSLZYKCCHGZ-UHFFFAOYSA-N 243.310 2.516 0 50 BFAA O=C(O)c1ccc(-c2ccc(O)cc2)c(F)c1 65349580 CDPWKXUXEHMAHD-UHFFFAOYSA-N 232.210 2.897 0 50 BFAA in-vitro Cc1ccccc1-n1cc(Br)cn1 72193390 HMULFHZEMGDGLG-UHFFFAOYSA-N 237.100 2.943 0 50 BFAA CCOC(=O)/C=C/c1cc(C)cc(C)c1 126667764 MNSGXDBFFXPWGW-AATRIKPKSA-N 204.269 2.880 0 50 BFAA C[C@H](NO)c1cccc(C(F)(F)F)c1 131985043 DEMLQIXIOMGTBA-LURJTMIESA-N 205.179 2.745 0 50 BFAA CCc1ccsc1C(=O)Nc1ccncc1O 170593640 AXEQUEGMGNEOMG-UHFFFAOYSA-N 248.307 2.663 0 50 BFAA CC[C@H](N[C@@H](c1ccccc1)C1CCC1)C(=O)O 191424885 NBTYLQBRCHFRCX-KBPBESRZSA-N 247.338 2.981 0 50 BFAA Cc1csc2c(CC(=O)O)cccc12 214731728 JUPFZDAZOVSLAZ-UHFFFAOYSA-N 206.266 2.837 0 50 BFAA Cc1nn2cccnc2c1-c1ccc(F)cc1 253495606 KDOBBRHDCWOUJC-UHFFFAOYSA-N 227.242 2.844 0 50 BFAA CC[C@@H]1OCCC[C@H]1C(=O)Nc1cccnc1C 277036757 OSGJLJCZFGEVHO-YPMHNXCESA-N 248.326 2.534 0 50 BFAA CC[C@@H]1OCCC[C@H]1C(=O)Nc1cnccc1C 277142368 CGUVYHICVLNIGA-YPMHNXCESA-N 248.326 2.534 0 50 BFAA CCc1cnc(S[C@H](C)c2ncccn2)[nH]1 585133087 SCPGEVRALCVGSF-MRVPVSSYSA-N 234.328 2.615 0 50 BFAA Cc1nonc1CN1CC[C@@H](C2CCCCC2)C1 825302376 HGKBJHKQEGNUNV-CYBMUJFWSA-N 249.358 2.780 0 50 BFAA Cc1cc(NC(=O)C2CC2)nc2ccccc12 2325790303 COLYNTAIFPHBSV-UHFFFAOYSA-N 226.279 2.892 0 50 BFAA CC(=O)Nc1ccc(Cc2ccncc2)cc1 55175 PJZVXHILLZKMEX-UHFFFAOYSA-N 226.279 2.631 0 50 BFAA O=C(Nc1ccc(F)c(F)c1F)C(F)(F)F 63065 XXLFQRMXNJNQLC-UHFFFAOYSA-N 243.106 2.605 0 50 BFAA biogenic S=C(Nc1ccccc1)N1CCCCC1 75514 VYTYEDNCIFTZDH-UHFFFAOYSA-N 220.341 2.869 0 50 BFAA in-vitro O=C(O)[C@@H]1CC=CC[C@H]1Cc1ccccc1 342278 SLIBOSUXKGDWRP-QWHCGFSZSA-N 216.280 2.896 0 50 BFAA biogenic CCc1cccc(C)c1NC(=O)[C@H]1CCCO1 461225 AZFPXVSFRVFLHX-GFCCVEGCSA-N 233.311 2.675 0 50 BFAA COc1ccc(C(=O)[C@H]2CCCCC2=O)cc1 500026 SYMNQDJTFGCPSF-LBPRGKRZSA-N 232.279 2.637 0 50 BFAA Nc1cc(-c2cccc3ccccc23)n[nH]1 4234613 WREXGNDJZBDHPT-UHFFFAOYSA-N 209.252 2.812 0 50 BFAA O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)c1ccccc1 4262301 GGRGOXDLLVXREZ-XQHKEYJVSA-N 244.290 2.616 0 50 BFAA COc1ccc(OCCN2CCCCCC2)cc1 4913713 GPRCEGMVBNCWNC-UHFFFAOYSA-N 249.354 2.950 0 50 BFAA Cn1c([C@@H]2C[C@H]2c2ccccc2)n[nH]c1=S 15933419 DHIIASXOBAVUMS-VHSXEESVSA-N 231.324 2.749 0 50 BFAA Cc1ccccc1-c1nc(C=O)cs1 19723114 DQAYNZAXEWVCBG-UHFFFAOYSA-N 203.266 2.931 0 50 BFAA in-vitro c1cc(OC[C@H]2CO2)cc(-c2nccs2)c1 143280387 YVLBKHNCBALXIY-NSHDSACASA-N 233.292 2.588 0 50 BFAA O=C(CC(=O)C(F)(F)Cl)c1ccccc1 146677141 JZOPJJRQTLGMIN-UHFFFAOYSA-N 232.613 2.660 0 50 BFAA CC[C@H]1c2cccn2CCN1C(=O)C1CCC1 151435284 JKZFCULWQUBFNZ-LBPRGKRZSA-N 232.327 2.582 0 50 BFAA O=C(CCc1cccc(F)c1)N[C@H]1C=CCCC1 158051951 MYLSUGMQGAXSMQ-AWEZNQCLSA-N 247.313 2.983 0 50 BFAA C[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F 169806244 GABHTFORECKGBB-UHFFFAOYSA-N 240.247 2.927 0 50 BFAA in-vitro Cn1c(NC(C)(C)C)nnc1-c1ccccc1 225686848 AZVHXMQVCZTYPM-UHFFFAOYSA-N 230.315 2.693 0 50 BFAA CC(=O)N[C@@H]1CCCc2c1[nH]c1ccccc21 253414144 WPHXFPHKDGWQNN-CYBMUJFWSA-N 228.295 2.681 0 50 BFAA biogenic C[C@H]1CCC[C@H](NC(=O)Nc2cnsc2)C1 888095435 GCFBMBXPFDQKTM-IUCAKERBSA-N 239.344 2.843 0 50 BFAA Cc1ccc2cc(NC(=O)C3(F)CC3)ccc2n1 1875302384 NVQQTMMUWXOVIH-UHFFFAOYSA-N 244.269 2.984 0 50 BFAA C[C@@H]1C[C@H]1[C@@H](C)N[C@H]1CCc2cc(O)ccc2C1 2325888014 NFJGZAWFAXGKIW-TWINXVHLSA-N 245.366 2.884 0 50 BFAA CC1=C(Cl)c2ccc(C)cc2S1(=O)=O 37401 JLUWVAQTNUOWFH-UHFFFAOYSA-N 228.700 2.710 0 50 BFAA O[C@@H]1CCN(Cc2c(Cl)cccc2Cl)C1 217630 GUYMOOVSTCKWJM-MRVPVSSYSA-N 246.137 2.560 0 50 BFAA CC(=O)Cc1cccc2cccc(C(=O)O)c12 758130 KPBRMGJARNBZLB-UHFFFAOYSA-N 228.247 2.670 0 50 BFAA CC(C)NC(=O)c1ccccc1Br 2493713 MTAGIJZTHYEKKP-UHFFFAOYSA-N 242.116 2.587 0 50 BFAA in-vitro S=c1[nH]nc(C2CC2)n1-c1ccccc1 2522285 WLGLHDYAQXRRMM-UHFFFAOYSA-N 217.297 2.807 0 50 BFAA in-vitro CCc1ccccc1NC(=O)c1cc(C)no1 5405390 HYXUINOPKKGMQY-UHFFFAOYSA-N 230.267 2.798 0 50 BFAA FC(F)(F)c1ccc(O[C@@H]2CCCNC2)cc1 12359754 ZTOREIFGFMIKJW-LLVKDONJSA-N 245.244 2.836 0 50 BFAA Cc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 23114714 HBWPJYOTLIHNDA-STQMWFEESA-N 219.328 2.604 0 50 BFAA O=C1CC[C@]2(CCCC[C@H]2c2ccccc2)N1 44124798 SNDDYBGPSCGBOE-ZFWWWQNUSA-N 229.323 2.993 0 50 BFAA COc1c(Br)ncc2ccoc12 66054294 HPTHINRGEKOOFF-UHFFFAOYSA-N 228.045 2.599 0 50 BFAA in-vitro O=Cc1cn(-c2ccccc2)nc1C(F)(F)F 66322714 DGUGDTFAUNHHAS-UHFFFAOYSA-N 240.184 2.704 0 50 BFAA Clc1nc(Cl)c2c(n1)CSCC2 84312001 KCSFUSMUQZWHHS-UHFFFAOYSA-N 221.112 2.573 0 50 BFAA C[C@H](N)c1ncc(Cl)cc1Br 91692953 APDSIEIWWORMMP-BYPYZUCNSA-N 235.512 2.517 0 50 BFAA in-vitro CC(C)(C)OC(=O)N(O)C(=O)OC(C)(C)C 138517172 BUQTYVUSGLJSKS-UHFFFAOYSA-N 233.264 2.548 0 50 BFAA COc1ccc(OC[Si](C)(C)C)cc1 169832507 LCAUQJBXEQEWSP-UHFFFAOYSA-N 210.349 2.951 0 50 BFAA Cc1ccc([C@@H](C)Nc2nc(C)cnc2C)cn1 200550483 PFCSMIXQHJSRHW-LLVKDONJSA-N 242.326 2.970 0 50 BFAA C[C@@H]1OCC[C@@H]1N1CC[C@@H](Cc2ccccc2)C1 221704388 NVJDAWQODCUXIW-BPUTZDHNSA-N 245.366 2.728 0 50 BFAA CCc1noc(CN2CCC[C@H]3CCCC[C@H]32)n1 230123283 XOCYQZCCOAOUEI-VXGBXAGGSA-N 249.358 2.787 0 50 BFAA COc1cc(Br)c2c(c1)C(=O)CC2 238453858 VIDXHBZUGHZQPG-UHFFFAOYSA-N 241.084 2.587 0 50 BFAA C1=C(c2nc([C@@H]3CCOC3)no2)CCCCC1 299746982 BRPJCFGEEHROGK-LLVKDONJSA-N 234.299 2.921 0 50 BFAA CCOc1ccnc(Cl)c1Br 307356391 YABYTJGJDFCUQL-UHFFFAOYSA-N 236.496 2.896 0 50 BFAA C1C[C@@H]2C[C@H](NC3CCC4(CC3)CC4)CCN2C1 335779395 SPVYLTYLPAOITA-HUUCEWRRSA-N 248.414 2.926 0 50 BFAA Cc1ccc(O)c(OCC(F)(F)F)c1 601014342 RXJFFNHKMGKJIT-UHFFFAOYSA-N 206.163 2.642 0 50 BFAA C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C[C@H]1CCOC1 608500413 BISZNPCAEKWHTL-MQYQWHSLSA-N 223.360 2.676 0 50 BFAA CNC(=O)C1c2ccccc2Oc2ccccc21 30244 XLQDWOVPUMSOJX-UHFFFAOYSA-N 239.274 2.670 0 50 BFAA Cc1ccc2c(c1)c1c(n2C)[C@H](O)CCC1 178924 BBIZIYDTFMVGPV-CYBMUJFWSA-N 215.296 2.856 0 50 BFAA biogenic C[C@H]1CC[C@@H](N2CCN(c3ccccc3)CC2)C1 212563 WLOHZXKWVPQOQY-GOEBONIOSA-N 244.382 2.997 0 50 BFAA O=CN(Cc1ccccc1)Cc1ccccc1 1442966 OTHBCWKTCXJYAW-UHFFFAOYSA-N 225.291 2.845 0 50 BFAA in-vitro O=C(c1ccc[nH]1)C(Cl)(Cl)Cl 1561236 BBFDGMDENAEMKF-UHFFFAOYSA-N 212.463 2.568 0 50 BFAA biogenic,in-vitro FC(F)(F)c1ccn(-c2ccccc2)n1 2243133 AKPVEJBNHMWPEC-UHFFFAOYSA-N 212.174 2.891 0 50 BFAA Cc1ccc(NC(=O)N[C@@H](C)[C@@H]2CCCO2)cc1 2772834 CKXXJTFRQDBQJU-AAEUAGOBSA-N 248.326 2.684 0 50 BFAA COc1ccc2c3c(c(=O)oc2c1C)CCCC3 2955979 MAHBHIQURCODGJ-UHFFFAOYSA-N 244.290 2.989 0 50 BFAA biogenic Cc1cccc(OCCN2CCCC2)c1C 4989875 XDMADUQVDNMGFB-UHFFFAOYSA-N 219.328 2.778 0 50 BFAA Fc1ccc(CN2CCSCC2)cc1F 4990097 MSQZYJIPOLUJHP-UHFFFAOYSA-N 229.295 2.514 0 50 BFAA Cc1ccc(Cl)c(O[C@@H](C)C(=O)O)c1 6272337 FYAUPTBCTGCOAA-ZETCQYMHSA-N 214.648 2.500 0 50 BFAA in-vitro Cc1ccc([C@H](N)c2cccnc2)c(C)c1 11737296 QOHALTHZRRBJAP-CQSZACIVSA-N 212.296 2.747 0 50 BFAA CC(C)CC(=O)Nc1cc(C(C)(C)C)on1 12382097 CYLQQURAFBBRJH-UHFFFAOYSA-N 224.304 2.957 0 50 BFAA CCOC(=O)c1ccc(F)c(Br)c1 16159069 FDVAAQDTTZNHKG-UHFFFAOYSA-N 247.063 2.765 0 50 BFAA Cc1ccc(-c2cc(C(=O)O)ccn2)cc1 41226829 MEIHBEUENXGUND-UHFFFAOYSA-N 213.236 2.755 0 50 BFAA in-vitro CC(C)(O)C1CCN(Cc2ccccc2)CC1 82041805 CSIDYOSFZZTUHW-UHFFFAOYSA-N 233.355 2.670 0 50 BFAA in-vitro c1ccc(COc2ncnc3cc[nH]c23)cc1 89223697 IIONSNXRZMQUMO-UHFFFAOYSA-N 225.251 2.537 0 50 BFAA in-vitro Brc1cccc2c1[C@@H]1C[C@@H]1CN2 91692569 OOPYDFSMULRLQF-RNFRBKRXSA-N 224.101 2.978 0 50 BFAA CC[C@@H](N[C@H](c1ccccc1)C1CCC1)C(=O)O 191424927 NBTYLQBRCHFRCX-ZIAGYGMSSA-N 247.338 2.981 0 50 BFAA COC(=O)c1c(C)sc2ccccc12 197516085 LEMPHIYYILSVLY-UHFFFAOYSA-N 206.266 2.996 0 50 BFAA Brc1ccc(-c2ccnnc2)cc1 219152476 NLPKTLAIVIEBIW-UHFFFAOYSA-N 235.084 2.906 0 50 BFAA Cc1cc(C(=O)O)c(C)n1C[C@@H]1CCSC1 228551445 PHIPLOSMJMHIOC-JTQLQIEISA-N 239.340 2.556 0 50 BFAA O=Cc1c(F)cccc1-c1ccncc1F 395146588 XCOHVHPWUAFXOC-UHFFFAOYSA-N 219.190 2.839 0 50 BFAA CCc1c(C)nc(C)nc1-c1ccc(OC)nc1 534642951 JPODSPZNTLXKLI-UHFFFAOYSA-N 243.310 2.726 0 50 BFAA C=CC(=O)N1C[C@@H](c2ccccc2)C2(CCC2)C1 863970995 ACJFWIWYCLHAKV-AWEZNQCLSA-N 241.334 2.969 0 50 BFAA c1ccc(-c2nccn2C[C@@H]2CCCO2)cc1 1875244178 CEYKJIVYGFPTMB-ZDUSSCGKSA-N 228.295 2.729 0 50 BFAA C=CC(=O)Nc1ccc([C@H]2CC2(F)F)cc1 1875368284 GMYSOLLNGXKJDE-SNVBAGLBSA-N 223.222 2.934 0 50 BFAA CCc1ccc(N)cc1-c1cc(C)[nH]n1 2325799803 YQTHTJTVHUIIPE-UHFFFAOYSA-N 201.273 2.530 0 50 BFAA COC1=CC(=O)O[C@H](/C=C/c2ccccc2)C1 1102 XEAQIWGXBXCYFX-ABZNLYFFSA-N 230.263 2.546 0 50 BFAA aggregator,biogenic,in-vitro COc1cccc(NC(=O)C=C(C)C)c1 145615 GRNLIAGNBVVIMV-UHFFFAOYSA-N 205.257 2.600 0 50 BFAA Cc1cc(C)n(-c2ccc3cccc(O)c3n2)n1 190729 AFJJCCZETFFOJM-UHFFFAOYSA-N 239.278 2.743 0 50 BFAA C[C@]1(c2ccccc2)NC(=O)c2ccccc2O1 365313 OAJLOMFJUSZIIM-HNNXBMFYSA-N 239.274 2.682 0 50 BFAA C[C@H](O)c1ccccc1Br 389510 DZLZSFZSPIUINR-LURJTMIESA-N 201.063 2.502 0 50 BFAA in-vitro CNC(=O)Oc1ccc(C(C)(C)C)cc1 410316 SQWINKDZQCVJNM-UHFFFAOYSA-N 207.273 2.702 0 50 BFAA COc1cc2sc(N)nc2cc1Cl 543569 WSLXLABOEWJWJL-UHFFFAOYSA-N 214.677 2.541 0 50 BFAA in-vitro C/C=C/C(=O)OC(C(F)(F)F)C(F)(F)F 2576924 DCARLDZSCMKDNZ-NSCUHMNNSA-N 236.111 2.599 0 50 BFAA CCOc1ccccc1NC(=O)c1cc(C)on1 3334485 ZDUWEURHJVXVQB-UHFFFAOYSA-N 246.266 2.634 0 50 BFAA CCn1c(C)[n+](CC)c2cc(Cl)ccc21 12341519 UBKZAPKYLGYPAO-UHFFFAOYSA-N 223.727 2.930 0 50 BFAA CSc1cccc(NC(=O)NC2CC2)c1 13320057 HEBWRQRAGHDRAE-UHFFFAOYSA-N 222.313 2.692 0 50 BFAA Nc1cc(C(=O)NC2CCCC2)ccc1Cl 20193600 ZANJJDXTYNFONJ-UHFFFAOYSA-N 238.718 2.595 0 50 BFAA Cc1c(Br)ccc2nc(N)sc12 22636591 XKVYZENTNKBZCD-UHFFFAOYSA-N 243.129 2.949 0 50 BFAA COCc1cc(F)cc(Br)c1 86694866 UFSWEZXGAMCWOP-UHFFFAOYSA-N 219.053 2.735 0 50 BFAA CC[C@H](C(=O)c1cccs1)N1CCCC1 97758826 NGVNNJYFJYTCCO-SNVBAGLBSA-N 223.341 2.805 0 50 BFAA in-vitro Fc1cncc(CSc2ncco2)c1 336080657 LQOOGOGFUAXAJJ-UHFFFAOYSA-N 210.233 2.501 0 50 BFAA c1cncc([C@@H]2CCCN2Cc2nccs2)c1 336315977 XTUBARVKVZTRTN-LBPRGKRZSA-N 245.351 2.875 0 50 BFAA O=C1CCCc2occ(Br)c21 725272361 PIINMJDWPRICFI-UHFFFAOYSA-N 215.046 2.561 0 50 BFAA CCc1ccc(CN2CCC[C@H](F)C2)nc1 902991913 FFYYOJXLTYHPGE-LBPRGKRZSA-N 222.307 2.578 0 50 BFAA CCn1ccc(CN[C@@H](C)C2=CCCCC2)n1 952977565 XWUWKUCEGIHHTA-LBPRGKRZSA-N 233.359 2.882 0 50 BFAA C=CC(=O)N1CC[C@@H](C)[C@H]1c1ccccc1 1338395880 YPGBWMZBSKRTJO-RISCZKNCSA-N 215.296 2.782 0 50 BFAA CC(C)(C)[C@@H]1CCc2sc(N)nc2C1 1775965229 OVFRQIVIESEYCH-SSDOTTSWSA-N 210.346 2.876 0 50 BFAA C[C@@H]1CCc2c(O)nc([C@H]3CC3(C)C)nc21 1776004483 SEZRMWJYLLEKTG-VXNVDRBHSA-N 218.300 2.745 0 50 BFAA Oc1ccc(-c2nccn2[C@@H]2C=CCCC2)cn1 1875244738 RUAGUMOXHWMHQR-GFCCVEGCSA-N 241.294 2.932 0 50 BFAA Cc1ccc(-c2nccn2CC[C@@H]2CCOC2)o1 1875250822 JYKHNHFOBZGHAW-GFCCVEGCSA-N 246.310 2.878 0 50 BFAA Oc1cc(-n2cccc2)c(F)cc1Cl 170097 DTSJUZKIJJZXCD-UHFFFAOYSA-N 211.623 2.975 0 50 BFAA CC(C)(C)n1cc(C(=O)c2ccccc2O)cn1 1393725 LGHGABODPUFRBD-UHFFFAOYSA-N 244.294 2.575 0 50 BFAA COc1ccccc1C(=O)N1CCC[C@H](C)C1 2774332 QMFRAISWJZVLDG-NSHDSACASA-N 233.311 2.567 0 50 BFAA C[C@H]1CCCN(C(=O)[C@H](C)Oc2ccccc2)C1 2800823 KUNCMVZNJCVBNU-STQMWFEESA-N 247.338 2.712 0 50 BFAA CCCN1CCCc2cc(C=O)ccc21 4478369 BLVSBKBIMXVVOY-UHFFFAOYSA-N 203.285 2.662 0 50 BFAA in-vitro Cc1cc(C)c(OCCN(C)C)c(C)c1 4913224 LLHRSSLIPUWKBX-UHFFFAOYSA-N 207.317 2.552 0 50 BFAA CCOC(=O)N[C@@H]1CCCc2ccccc21 5672638 RUQOSAQQCDVMKV-GFCCVEGCSA-N 219.284 2.810 0 50 BFAA C[C@H](NC(=O)Nc1ccccc1)c1cccnc1 10262232 IILJYEZVSQDMNU-NSHDSACASA-N 241.294 2.964 0 50 BFAA CC(C)CCc1ncncc1Br 15021325 KCNXLDSTEUTQCO-UHFFFAOYSA-N 229.121 2.828 0 50 BFAA in-vitro COc1cccc(Br)c1F 16158471 USVPQAWBFVANTN-UHFFFAOYSA-N 205.026 2.597 0 50 BFAA in-vitro CC(=O)c1ccc(C(F)(F)F)cc1O 26441295 ZZKAWIIYPNENOX-UHFFFAOYSA-N 204.147 2.614 0 50 BFAA in-vitro CC(C)(C)OC(=O)Nc1c(N)cccc1F 34181838 KKTBITIKAFIQJM-UHFFFAOYSA-N 226.251 2.755 0 50 BFAA in-vitro FC(F)(F)c1ccnn1-c1ccccc1 34578690 BLXJKGWWZMVMKJ-UHFFFAOYSA-N 212.174 2.891 0 50 BFAA COc1ccc(S)c(Br)c1 37445634 LBDOFNJKOJZMHQ-UHFFFAOYSA-N 219.103 2.746 0 50 BFAA O=C1CCCCCC[C@]1(O)Cc1ccccc1 43199243 DFZOUNNRQCPTAP-HNNXBMFYSA-N 232.323 2.884 0 50 BFAA CC[C@H](C)c1nc2c(cnn2CC(C)C)[nH]1 67975439 XEBLNEVLKBRTNN-VIFPVBQESA-N 220.320 2.929 0 50 BFAA CC1(C)[C@H]2CC[C@@]1(Br)C(=O)C2 101022665 MVJVPLZNNRCART-IMTBSYHQSA-N 217.106 2.529 0 50 BFAA O=C(Nc1ccccc1)C1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 101132214 JFZRWFPPTGPNIX-YRRQLQLVSA-N 227.307 2.917 0 50 BFAA Cc1cnc2ccc(Br)c(C)n12 170685422 RRFZTCIUFBZFEE-UHFFFAOYSA-N 225.089 2.714 0 50 BFAA in-vitro CC(C)(C)[C@@H](CO)NCc1ccc(Cl)s1 193098776 LFUBACDMLFTVQL-SECBINFHSA-N 247.791 2.898 0 50 BFAA O[C@@H]1CSc2cc(Br)ccc21 202436140 DUZACWFEWFFTRM-SSDOTTSWSA-N 231.114 2.588 0 50 BFAA Cc1ccc([C@@H]2CCCN2CC(=O)O)cc1C 237784745 PRFIKCHAIMYRMI-ZDUSSCGKSA-N 233.311 2.525 0 50 BFAA N[C@@H](c1ccnc(C(F)(F)F)c1)C1CC1 255189297 OZPWDPKKWPNWSI-SECBINFHSA-N 216.206 2.510 0 50 BFAA C[C@@H]1C[C@@H]1C(=O)N[C@H]1CCSc2ccccc21 302056389 UFXJEABLPVHYGD-USWWRNFRSA-N 247.363 2.996 0 50 BFAA Fc1cccc(CN2CCC[C@@H]2c2cn[nH]c2)c1 583652089 ZHLJHDOLKLAEER-CQSZACIVSA-N 245.301 2.886 0 50 BFAA COc1ccc(F)c(CNc2n[nH]c(C)c2C)c1 886197853 OLPVQFUCKGMKCP-UHFFFAOYSA-N 249.289 2.786 0 50 BFAA O=C(O)C12CCC(C(F)(F)F)(CC1)C2 1772716180 WJDGZRZVDQRWCU-UHFFFAOYSA-N 208.179 2.584 0 50 BFAA Cc1cc(F)c(C(=O)O)cc1C(F)(F)F 1772718381 OENYBRPGTZPALL-UHFFFAOYSA-N 222.137 2.851 0 50 BFAA C=CC(=O)N[C@@H](c1cc(F)ccc1F)C(F)F 1875367401 MPDXOIOJHFZGCU-JTQLQIEISA-N 247.191 2.573 0 50 BFAA O=C(Nc1ccccc1)N1CCCCC1 161802 UICIJOHWFFTRLI-UHFFFAOYSA-N 204.273 2.704 0 50 BFAA CCOc1nc(C)nc2ccc(Cl)cc12 346118 VDHIRYBHOMBPDE-UHFFFAOYSA-N 222.675 2.990 0 50 BFAA CN(C)c1ccc2c(c1)[C@@H](O)c1ccccc1-2 398916 MSIXALXXSRXADA-HNNXBMFYSA-N 225.291 2.815 0 50 BFAA O=c1oc2cc(O)c(Cl)cc2c2c1CCC2 1808204 HETUGUSWOXYKSY-UHFFFAOYSA-N 236.654 2.641 0 50 BFAA biogenic Cc1c(NC(=O)c2ccc(Cl)cc2)cnn1C 2797710 WMMXWMCPUDATQS-UHFFFAOYSA-N 249.701 2.634 0 50 BFAA COc1ccc(OC)c([C@H]2CCCCCN2)c1 3735020 RASXBJXFKIIDMM-CYBMUJFWSA-N 235.327 2.909 0 50 BFAA Cc1oncc1C(=S)Nc1ccccc1 6552654 RBRBBRSFDQFJDL-UHFFFAOYSA-N 218.281 2.771 0 50 BFAA CC(C)(C)CN[C@@H]1COc2ccccc2C1 12473882 UKZRFMWGJCECIK-LBPRGKRZSA-N 219.328 2.626 0 50 BFAA CC[C@@H]1CCCCN1C(=S)NCC(C)C 13829390 IDZWDPLIQPNTBM-LLVKDONJSA-N 228.405 2.781 0 50 BFAA Cc1ccsc1CNC[C@H](O)c1ccccc1 19871966 UXVRFEANCJLERB-ZDUSSCGKSA-N 247.363 2.880 0 50 BFAA Cc1cc(Br)cc(N)c1Cl 67796607 OFTAZIIMOPHNNF-UHFFFAOYSA-N 220.497 2.993 0 50 BFAA C1=CC[C@H](c2nccn2CCn2cccn2)CC1 71760447 IJNCLIAIPVEGFH-ZDUSSCGKSA-N 242.326 2.604 0 50 BFAA CC1(C)Cc2c(cnn2-c2ccccc2)[C@H](N)C1 72415626 BCTRMQIBWIWQKV-CYBMUJFWSA-N 241.338 2.845 0 50 BFAA COc1ccc(Cl)cc1-c1cc(N)ccn1 84530303 LVAONIUAPGVAHH-UHFFFAOYSA-N 234.686 2.993 0 50 BFAA O=C(O)c1ccc2oc(N3CCCCC3)nc2c1 95629429 AFGHZIQUPYRPAA-UHFFFAOYSA-N 246.266 2.516 0 50 BFAA CC[C@H](C(=O)c1ccc(OC)cc1)N1CCCC1 97758811 BXVBGQDJXXGMRX-CQSZACIVSA-N 247.338 2.752 0 50 BFAA in-vitro NCC12c3ccccc3[C@H]3C1[C@@H]3c1ccccc12 101043414 IRIFPDNYPYWIRM-NUWOQIAWSA-N 233.314 2.756 0 50 BFAA CC[C@@H]1Oc2ccc(Br)cc2C1=O 113208617 AZSKURUNNPHUPG-QMMMGPOBSA-N 241.084 2.803 0 50 BFAA C[C@@H](NCCO)c1ccc(OC(C)(C)C)cc1 156727334 WZVMMBTVRVJCIK-LLVKDONJSA-N 237.343 2.507 0 50 BFAA COCOc1cccc(Br)c1F 218233567 SXEMORNYBLWPCA-UHFFFAOYSA-N 235.052 2.571 0 50 BFAA C[C@@H]1c2cccn2CCN1C(=O)OC1CCCC1 240871445 IKPHJLCBPKVPQH-LLVKDONJSA-N 248.326 2.944 0 50 BFAA NC(=O)c1c(F)ccc(SCC2CC2)c1F 448570447 CWCIJCYAVUYZHD-UHFFFAOYSA-N 243.278 2.566 0 50 BFAA CCOc1ccccc1NC(=O)c1ccncc1 119465 YFBPPTLVICQMII-UHFFFAOYSA-N 242.278 2.733 0 50 BFAA Cc1ccc(-c2nc3cc(N)ccc3o2)cc1N 242207 UTPASCSQJKDJIL-UHFFFAOYSA-N 239.278 2.968 0 50 BFAA CC(C)(C)c1ccc(SCC(N)=O)cc1 617345 QGFYJIMQGPLKIG-UHFFFAOYSA-N 223.341 2.562 0 50 BFAA CCOC(=O)C(C)(C)Oc1cccc(C)c1 1459374 YQIXMNLLNGNCRF-UHFFFAOYSA-N 222.284 2.716 0 50 BFAA CCOC(=O)C[C@@H](N)c1cccc2ccccc12 2390277 YOQPDEDCVQCATH-CQSZACIVSA-N 243.306 2.793 0 50 BFAA Cc1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](C1CC1)N2 2731996 PQMGALGWECRSJB-IUCAKERBSA-N 245.248 2.889 0 50 BFAA Cc1nc(Cc2ccccc2)sc1C(=O)O 4384287 SGWCGSNQYPEXBO-UHFFFAOYSA-N 233.292 2.741 0 50 BFAA CCc1nnc(S)n1-c1cc(C)cc(C)c1 6395425 UUGMHMCEUHMWEM-UHFFFAOYSA-N 233.340 2.735 0 50 BFAA CCC1CCC(N(CC)CCN(C)C)CC1 19608654 CIYADKVARFOJFS-UHFFFAOYSA-N 226.408 2.839 0 50 BFAA Nc1cnc2c(Br)cccc2c1 39119786 MBTYRZDRPHSJJS-UHFFFAOYSA-N 223.073 2.580 0 50 BFAA in-vitro COC(=O)/C=C(/C)c1cc(C)ccc1C 133864827 SOBVBABSYUNBED-FLIBITNWSA-N 204.269 2.880 0 50 BFAA Cc1cc(C(=O)N2C[C@@H](C)CCC[C@H]2C)no1 133891043 YUDWABOTLWPLJX-VHSXEESVSA-N 236.315 2.634 0 50 BFAA CC(C)n1cc2nc(Cl)nc(Cl)c2n1 169798991 MHAKTMYTHHJMBC-UHFFFAOYSA-N 231.086 2.714 0 50 BFAA CC(C)(C)Cc1nc(=O)c2ccccc2[nH]1 197764839 ZWQFXADRNKRGAC-UHFFFAOYSA-N 216.284 2.512 0 50 BFAA c1ccc(N2CC[C@@H]3CCCC[C@H]32)nc1 225261548 ZCFZTNRSWIDGOO-NWDGAFQWSA-N 202.301 2.851 0 50 BFAA C[C@H](NCc1ccsc1)[C@H]1CCCOC1 309161655 ZIPMEWPTKHTKNQ-JQWIXIFHSA-N 225.357 2.653 0 50 BFAA C1=C[C@H](CNCc2ccc3nc[nH]c3c2)CC1 883238817 NAZNAYVDVRULNS-NSHDSACASA-N 227.311 2.619 0 50 BFAA Oc1cccc(-c2ccc3c(c2)CC[C@H](O)C3)c1 904765243 BQMVJFWKGHDUJU-INIZCTEOSA-N 240.302 2.909 0 50 BFAA c1ccc(-c2ccc(-c3ccnnc3)nn2)cc1 1242043916 IAOHRGBASGTBDJ-UHFFFAOYSA-N 234.262 2.601 0 50 BFAA C=CC(=O)Nc1ccc(O[C@@H]2CC2(F)F)cc1 1336680809 FWGSIGYRPDUECP-SNVBAGLBSA-N 239.221 2.598 0 50 BFAA CC1(C)C=C(C(=O)NCCc2ccccc2)C1 1775999572 VMNHGNDZXKJFCB-UHFFFAOYSA-N 229.323 2.702 0 50 BFAA Cc1c[nH]ccc1=NC(=O)C12CCCC1CCC2 1857527173 WHLTVXZYKVYCDS-UHFFFAOYSA-N 244.338 2.721 0 50 BFAA Clc1cnccc1-c1nccn1[C@H]1CCOC1 1857731596 LMSSDTMAOUJCGD-VIFPVBQESA-N 249.701 2.560 0 50 BFAA C=CC(=O)N1CCc2[nH]c3ccc(C)cc3c2C1 1875366017 SUQQIKLWCHMNSJ-UHFFFAOYSA-N 240.306 2.547 0 50 BFAA O=C(O)C1(c2ccccc2F)CCCC1 155783 AXWFKNJZMNAYGJ-UHFFFAOYSA-N 208.232 2.722 0 50 BFAA in-vitro CC[C@H]1CCc2c(sc(N)c2C(=O)OC)C1 184333 OAGCBMZNJLDSNV-ZETCQYMHSA-N 239.340 2.632 0 50 BFAA Cc1cc(C)n(CCc2nc3ccccc3[nH]2)n1 405759 HQLLOOUJIPKQTD-UHFFFAOYSA-N 240.310 2.619 0 50 BFAA CO[C@@H]1CC/C=C/CC/C=C/CC[C@@H]1O 409826 NZJRBFVCZFRVNJ-HZZSLJNBSA-N 210.317 2.829 0 50 BFAA CCCC(=O)NCc1ccccc1Cl 458032 UYUNLPUCQIXOCX-UHFFFAOYSA-N 211.692 2.756 0 50 BFAA CC(=O)Nc1ccc(N2CCCC2)c(Cl)c1 894903 XYTUHXGEXHPHBQ-UHFFFAOYSA-N 238.718 2.899 0 50 BFAA CCOC(=O)c1cc(C)c(Cl)nc1Cl 1017278 BMJQJBGNFQXCJC-UHFFFAOYSA-N 234.082 2.874 0 50 BFAA in-vitro Clc1nccc(NCc2ccccc2)n1 2024733 QWRADTLPANSRDT-UHFFFAOYSA-N 219.675 2.742 0 50 BFAA in-vitro Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CC1)N2 2731994 PQMGALGWECRSJB-DTWKUNHWSA-N 245.248 2.889 0 50 BFAA COC(=O)N1c2ccc(F)cc2CC[C@@H]1C 2751504 LOMMUUIDJKXJIN-QMMMGPOBSA-N 223.247 2.733 0 50 BFAA COC(=O)c1ccc(C)c(NC(=O)C2CCC2)c1 3517508 HLQKIRUOGDLVRE-UHFFFAOYSA-N 247.294 2.520 0 50 BFAA Brc1ccccc1[C@H]1CCCN1 3732249 BSLGMIVYENBFFY-SNVBAGLBSA-N 226.117 2.874 0 50 BFAA in-vitro CCCCc1ccc(C(=O)C(=O)OCC)cc1 4255729 BZIQPQASSBKVPG-UHFFFAOYSA-N 234.295 2.775 0 50 BFAA CC[C@@H](NC(=O)c1cc(C)on1)c1ccccc1 6741917 NRFSXUKGQFYHDI-GFCCVEGCSA-N 244.294 2.864 0 50 BFAA CCNCc1ccc(OCC)c(Cl)c1 10474740 UQEKTYPWVNYRER-UHFFFAOYSA-N 213.708 2.848 0 50 BFAA C/C=C(\C)CN[C@@H]1COc2ccccc2C1 12573958 LCYFJMDKHGEPFR-TWXILYBASA-N 217.312 2.546 0 50 BFAA S=C1N=C(Cc2ccccc2)CS1 12648968 IWBSEFOGZJBCGR-UHFFFAOYSA-N 207.323 2.702 0 50 BFAA in-vitro Cc1cc2c(Br)ccnc2[nH]1 71186823 UYYAREKUCOWVMO-UHFFFAOYSA-N 211.062 2.634 0 50 BFAA in-vitro CCOC(=O)[C@H]1CC=C(Br)CC1 85477137 JMGPAKUOUAFRNQ-ZETCQYMHSA-N 233.105 2.628 0 50 BFAA in-vitro CC1(C)OC(=O)c2c1[nH]c1ccccc21 97463366 IUQMLSKLAUMFEM-UHFFFAOYSA-N 201.225 2.573 0 50 BFAA CNC(=O)c1cc(C(F)(F)F)ccc1Cl 169259256 RKSYPEMZHODSKC-UHFFFAOYSA-N 237.608 2.718 0 50 BFAA Fc1ccc(Cl)cc1CNc1cnccn1 170612173 QXSWVHCUMRLCNX-UHFFFAOYSA-N 237.665 2.881 0 50 BFAA c1nc(CN2[C@H]3CCC[C@H]2CC3)cs1 334185285 GHCFEUYDBDFIPM-QWRGUYRKSA-N 208.330 2.660 0 50 BFAA CCO[C@@H](C)c1ccc(-c2cc(O)ncn2)cc1 1506410001 QLLPEJATIODAOO-JTQLQIEISA-N 244.294 2.947 0 50 BFAA COCc1nnc(N[C@H](C)C2CCCCC2)o1 1772710752 RRMGUMYUJPZTAP-SECBINFHSA-N 239.319 2.597 0 50 BFAA CCC(C)(C)C(=O)NCc1ccccc1 30704 YMGUJVAWXVMXMF-UHFFFAOYSA-N 205.301 2.739 0 50 BFAA Nc1ccc(C(=O)OC2CCCCC2)cc1 80710 OVZZSSYVRJEJQF-UHFFFAOYSA-N 219.284 2.758 0 50 BFAA in-vitro Nc1cccc(-c2nc3ccccc3[nH]2)c1 122913 JHTBOVFZNCAYFZ-UHFFFAOYSA-N 209.252 2.812 0 50 BFAA in-vitro O=C(O)CSC12CC3CC(CC(C3)C1)C2 186824 DMZIQLZIXCFDQQ-UHFFFAOYSA-N 226.341 2.773 0 50 BFAA in-vitro CC(C)C[C@@]1(C)OC[C@@H](CN2CCCCC2)O1 312891 FCIRFJBRDJWJGX-KGLIPLIRSA-N 241.375 2.650 0 50 BFAA CCC(CC)NC(=O)c1ccccc1OC(C)=O 456855 QYERKJSBRJJVPI-UHFFFAOYSA-N 249.310 2.530 0 50 BFAA Cc1ccc(I)cc1 1003750 UDHAWRUAECEBHC-UHFFFAOYSA-N 218.037 2.600 0 50 BFAA in-vitro CC(C)=CCC[C@H](C)NCCCN(C)C 2090217 VKIPACQPVYNORN-ZDUSSCGKSA-N 212.381 2.663 0 50 BFAA biogenic CCOC(=O)[C@@H]1C[C@@H]1c1ccc(C)cc1 2731912 JWOBMCBGTXAJBG-VXGBXAGGSA-N 204.269 2.662 0 50 BFAA CC[C@@H](C)NCCOc1ccccc1F 2825108 FTMVERSSTZVBFJ-SNVBAGLBSA-N 211.280 2.593 0 50 BFAA COc1ccccc1-c1cccc(CO)c1 4204281 BURRRXPYBDJKJA-UHFFFAOYSA-N 214.264 2.855 0 50 BFAA in-vitro O=C1CCCOc2ccc(Br)cc21 12505428 JMIWCASGALGDMJ-UHFFFAOYSA-N 241.084 2.804 0 50 BFAA Clc1ccc(CN2CCOCC2)c(Cl)c1 19633546 BJZQKHKNZBGSOX-UHFFFAOYSA-N 246.137 2.826 0 50 BFAA O[C@H](CNCc1ccc(F)cc1)c1ccccc1 19797603 VQTWFXWQAKZVNN-OAHLLOKOSA-N 245.297 2.649 0 50 BFAA O=C(O)c1cnc2c(C(F)(F)F)cccc2c1 26506795 SFGJRDPCPWCNMJ-UHFFFAOYSA-N 241.168 2.952 0 50 BFAA COc1cc(OC)c2nccc(C)c2c1 43794347 DZXKOXPAULZIGL-UHFFFAOYSA-N 203.241 2.560 0 50 BFAA in-vitro CCN(/C=C/C(=O)c1ccc(F)cc1O)CC 44672065 XRYNSJASQNNEIG-BQYQJAHWSA-N 237.274 2.570 0 50 BFAA in-vitro CC(C)(C)OC(=O)N1Cc2ccc(O)cc2C1 59722711 QLHANXZSEULFFM-UHFFFAOYSA-N 235.283 2.643 0 50 BFAA O=Cc1cc2c(Br)cc(F)cc2[nH]1 164432015 ZZXYTXVCVIHPER-UHFFFAOYSA-N 242.047 2.882 0 50 BFAA CC[C@H](C)[C@@H](CO)N(C)Cc1ccccc1 202000338 JPXSDNBZAYWWCL-GXTWGEPZSA-N 221.344 2.525 0 50 BFAA O=Cc1c(O)cc(C(F)(F)F)cc1Cl 214877811 OJHGYXIYBWPHAZ-UHFFFAOYSA-N 224.565 2.877 0 50 BFAA COc1ccc(OC)c2c1[C@@H]1[C@H]3[C@H]4C=C[C@H]4[C@@H]2[C@H]31 247876603 HAIGLKKQMUZVAS-KAZSANKOSA-N 240.302 2.946 0 50 BFAA O=C(NC1(c2ccc(Cl)cc2)CC1)C(F)F 408514907 QNKLEOIHZFMMOR-UHFFFAOYSA-N 245.656 2.710 0 50 BFAA O=C(O)Cc1ccc(Cl)c(Cl)c1 156509 ZOUPGSMSNQLUNW-UHFFFAOYSA-N 205.040 2.621 0 50 BFAA in-vitro COC(=O)Cc1c(Cl)cccc1Cl 2556921 FCWRUYPZZJPCCG-UHFFFAOYSA-N 219.067 2.709 0 50 BFAA in-vitro Cc1ccc(-c2nn3c(C)nnc3s2)cc1C 4487544 RBOITCJVGQKTFA-UHFFFAOYSA-N 244.323 2.778 0 50 BFAA C[C@@H](CC(=O)O)Nc1ccc(Cl)cc1 5275181 GBVLIUPVYMEKLI-ZETCQYMHSA-N 213.664 2.615 0 50 BFAA CCc1n[nH]c(SCc2ccccc2C)n1 5686704 RTFJSUMCGCABKG-UHFFFAOYSA-N 233.340 2.968 0 50 BFAA Clc1ccccc1NC[C@@H]1CCCN1 6658316 OPSFCDOACOSJTM-VIFPVBQESA-N 210.708 2.504 0 50 BFAA in-vitro CC[C@@H](NC(=O)c1ccncc1)c1ccccc1 6741540 FOMQFECURSZKJQ-CQSZACIVSA-N 240.306 2.963 0 50 BFAA O=C(O)c1cc2cc(F)ccc2nc1Cl 11985718 IDKZKIHFKUKUCY-UHFFFAOYSA-N 225.606 2.726 0 50 BFAA in-vitro O=C(O)c1cc(C(F)(F)F)c2ccccc2n1 12649564 YGGNZDRZJWUYRO-UHFFFAOYSA-N 241.168 2.952 0 50 BFAA O=Cc1cccc(-c2ccc(F)cc2F)n1 20443263 JHJHFOLZKPEAIE-UHFFFAOYSA-N 219.190 2.839 0 50 BFAA in-vitro CN1C(=O)c2ccccc2N[C@@H]1c1ccccc1 20936226 ROWPKSZILRECDM-AWEZNQCLSA-N 238.290 2.883 0 50 BFAA Oc1cnc2ccc(Br)cc2c1 32099250 CURYXBCGKGDWCN-UHFFFAOYSA-N 224.057 2.703 0 50 BFAA in-vitro COc1ccc(CC(=O)NC2CCCC2)cc1C 72442488 WJMMRWGRQNZPCH-UHFFFAOYSA-N 247.338 2.605 0 50 BFAA CCCC[C@H](Oc1ccccc1C=O)C(=O)O 142307178 BNHZJSWSEINXDJ-LBPRGKRZSA-N 236.267 2.521 0 50 BFAA in-vitro O=C(O)/C=C1\CCC[C@@H](C(F)(F)F)C1 212666078 IHTSSULWRABKPS-WEWAHIQMSA-N 208.179 2.750 0 50 BFAA C[C@@H]1C[C@@H](C(=O)O)CN(CCC2CCCC2)C1 263344238 OEESEFVVLGMYCO-DGCLKSJQSA-N 239.359 2.609 0 50 BFAA O=C(NNc1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2 302858745 TVKGWYCIGNIQQM-GMXVVIOVSA-N 230.311 2.566 0 50 BFAA FC1(F)CCC[C@H]1Cn1cnc(C2CC2)n1 334965141 QRKHJZLBBZBBCP-VIFPVBQESA-N 227.258 2.591 0 50 BFAA CC(C)n1ccc(-c2nc(-c3ccco3)no2)n1 340662048 KBHJDRMWBSTIOH-UHFFFAOYSA-N 244.254 2.774 0 50 BFAA F[C@H]1CN(Cc2cccc3[nH]ccc23)C[C@H]1F 1205256054 QHRGHVNYCHKIOJ-TXEJJXNPSA-N 236.265 2.660 0 50 BFAA CCc1nccn1CCCNCc1ccsc1 1506399830 JQSPISAQPARXGZ-UHFFFAOYSA-N 249.383 2.687 0 50 BFAA CCS[C@H](C)c1nc(O)cc(CC)n1 1776003613 ASOWGFISJOJXDC-SSDOTTSWSA-N 212.318 2.559 0 50 BFAA Oc1ccc(Cc2ccc(O)cc2)cc1 136152 PXKLMJQFEQBVLD-UHFFFAOYSA-N 200.237 2.689 0 50 BFAA biogenic,in-vitro Oc1cccc(OCc2ccccc2)c1 330715 FOTVZLOJAIEAOY-UHFFFAOYSA-N 200.237 2.971 0 50 BFAA in-vitro O=C(Nc1cccnc1)Nc1cccc(F)c1 398972 WFOGJKJRUKGBDO-UHFFFAOYSA-N 231.230 2.865 0 50 BFAA CCCCS(=O)(=O)Nc1ccc(Cl)cc1 1672784 UVUXTNKGBCHPKC-UHFFFAOYSA-N 247.747 2.882 0 50 BFAA C[C@H](C(=O)O)c1ccc2cc(O)ccc2c1 2570852 XWJUDDGELKXYNO-QMMMGPOBSA-N 216.236 2.734 0 50 BFAA endogenous,world Cc1cc(OCC(=O)O)ccc1C(C)C 3097099 KHBZMSZIDSFMDY-UHFFFAOYSA-N 208.257 2.582 0 50 BFAA in-vitro CCC[C@@H](Oc1ccc(Cl)cc1)C(=O)O 5952198 CBGZZDWFWLXZEU-SNVBAGLBSA-N 228.675 2.972 0 50 BFAA in-vitro Cc1noc(N)c1-c1ccc(Cl)cc1 9303487 UHWNZTCXHWOFSX-UHFFFAOYSA-N 208.648 2.886 0 50 BFAA in-vitro CCCCn1c([C@H](C)O)nc2ccccc21 13154517 RBPXNOGQNHZOLH-JTQLQIEISA-N 218.300 2.890 0 50 BFAA CC[C@@H](C)NC(=O)NCc1cccc(Cl)c1 13746283 SHIUMLJHYVZSOG-SECBINFHSA-N 240.734 2.938 0 50 BFAA COc1ccccc1OC/C=C/Cn1ccnc1 16624006 KHKWNCOFQJUJDT-SNAWJCMRSA-N 244.294 2.527 0 50 BFAA c1coc(CN2CCN(C3CCCCC3)CC2)c1 19359611 PMNGZTNWYJDTJR-UHFFFAOYSA-N 248.370 2.730 0 50 BFAA Brc1cccc(NC2CCC2)n1 42750210 HQIRPBQCZQIHKN-UHFFFAOYSA-N 227.105 2.809 0 50 BFAA CCOCC(=O)N[C@H](C)c1cc(C)ccc1C 58120235 OMAFAOOSTBIZPM-GFCCVEGCSA-N 235.327 2.517 0 50 BFAA CCC(=O)NCCCc1ccc(OC(C)C)cc1 71384773 FBMCKMLHQRVCNM-UHFFFAOYSA-N 249.354 2.933 0 50 BFAA CC(=O)O[C@H]1CCCc2nc3ccccc3nc21 71774007 UNNACXNGRXPBCE-ZDUSSCGKSA-N 242.278 2.570 0 50 BFAA Oc1cccc([C@H](O)c2ccc(F)cc2)c1 75871956 AFIUEJLTADFMAR-CYBMUJFWSA-N 218.227 2.613 0 50 BFAA Cc1ccc([C@@H]2CC(=O)c3cn[nH]c3C2)s1 95117781 DOVCDGMZQPEKTL-QMMMGPOBSA-N 232.308 2.692 0 50 BFAA CCCCn1c(=O)cc(O)c2ccccc21 100295020 YHNLJAIQFUBFPF-UHFFFAOYSA-N 217.268 2.507 0 50 BFAA Brc1cccc2c1[C@H]1C[C@@H]1CN2 100643029 OOPYDFSMULRLQF-RQJHMYQMSA-N 224.101 2.978 0 50 BFAA CCC1CCC(N[C@H]2C[C@H]3CC[C@H]2O3)CC1 188779476 DLWAYDUFVHMZAF-MYXTYHMWSA-N 223.360 2.865 0 50 BFAA Nc1ncc2ccccc2c1C(F)(F)F 221531166 LZYBKJQEODVFGY-UHFFFAOYSA-N 212.174 2.836 0 50 BFAA CCCO[C@H]1CCC[C@H](CCCO)C1 238252039 KNCACCCFPLJHEI-NEPJUHHUSA-N 200.322 2.744 0 50 BFAA Cc1cnn(CCN(C)[C@H]2CCCC[C@@H]2C)c1 253416658 DGAOYZRZPUGCPK-KBPBESRZSA-N 235.375 2.702 0 50 BFAA COC(=O)[C@H]1C[C@H]2C[C@H]1C1=C2[C@H]2CC[C@H]1C2 257357190 MOOOBMFVCSCOAY-DAWVFNFOSA-N 218.296 2.542 0 50 BFAA CN(CCCC1CCCC1)C[C@H]1CCC(=O)O1 823688782 XLLWXPACJSHCKO-CYBMUJFWSA-N 239.359 2.594 0 50 BFAA N[C@@H](CC1CC1)C1(O)CCCCCCC1 958528967 ZZIOPLBRGWIRTK-LBPRGKRZSA-N 211.349 2.589 0 50 BFAA CCOC(=O)c1c(C)oc2ccc(O)cc12 95509 KSNVFCJUBJUTPF-UHFFFAOYSA-N 220.224 2.624 0 50 BFAA biogenic,in-vitro Cc1nc(-c2ccccc2)sc1CO 159075 JSIPFWSPCWZJIU-UHFFFAOYSA-N 205.282 2.611 0 50 BFAA in-vitro COC(=O)Nc1ccc(Br)cc1 397376 GLRFFVNPNGTCSW-UHFFFAOYSA-N 230.061 2.627 0 50 BFAA in-vitro Cc1cc(C)nc(/C=C/NC(=O)c2ccco2)c1 2995952 XZTCWXYNBRZCOK-AATRIKPKSA-N 242.278 2.692 0 50 BFAA COCCNCc1ccc(C(C)C)cc1 4700596 GOXINUWTQNGEHS-UHFFFAOYSA-N 207.317 2.546 0 50 BFAA CCOC(=O)[C@]1(Cc2ccccc2)CCCC1=O 4962164 IKDYNDOAHRZGKH-HNNXBMFYSA-N 246.306 2.532 0 50 BFAA Cc1ccc(OCCN2CCCC2)c(C)c1 4989967 VWPWYAIWEQKXQR-UHFFFAOYSA-N 219.328 2.778 0 50 BFAA CNCCCOc1ccc(Cl)c(Cl)c1 5013446 WLEUSXBLAFEZEC-UHFFFAOYSA-N 234.126 2.982 0 50 BFAA N[C@H](c1ccc(Cl)cc1)c1cccnc1 6677969 BGUVQMLTPOSSPH-GFCCVEGCSA-N 218.687 2.783 0 50 BFAA in-vitro O=C(NCc1ccccc1F)c1ccccc1 6927262 STNBUNFECDXHCJ-UHFFFAOYSA-N 229.254 2.756 0 50 BFAA CC(C)(C)n1nc(-c2ccccc2)cc1N 37295105 RNVAHWVDOAYMFU-UHFFFAOYSA-N 215.300 2.887 0 50 BFAA in-vitro NC1(c2nc(-c3ccccc3)no2)CCCCC1 41032792 JAQWATMMNBWIPA-UHFFFAOYSA-N 243.310 2.855 0 50 BFAA CC[C@@H](C)NCCCn1ncc2ccccc21 65369826 IMFUVRIRLGFMPK-GFCCVEGCSA-N 231.343 2.815 0 50 BFAA CC(=O)Nc1cccc2oc(C(F)(F)F)nc12 153535963 DIBAYFHDDVHWAI-UHFFFAOYSA-N 244.172 2.805 0 50 BFAA C[Si]1(C)c2ccccc2Oc2ccccc21 169808139 GGECHZFPEBUJGA-UHFFFAOYSA-N 226.351 2.615 0 50 BFAA C[C@H](c1ccc(F)cc1)N(C)C(=O)C(F)F 219453157 ZVOWMUSOQFOFEI-SSDOTTSWSA-N 231.217 2.610 0 50 BFAA CCN(C(C)=O)c1ccc(Cl)cc1F 253433470 XLFAKOTZUHNDAJ-UHFFFAOYSA-N 215.655 2.852 0 50 BFAA O=C(NC1CCCCC1)c1cc(O)ccc1F 261493457 BKYCRJUFRCLSIY-UHFFFAOYSA-N 237.274 2.594 0 50 BFAA FC(F)[C@H]1CCCN1Cc1ccccc1 353184372 AUPVWROWIWNYSY-LLVKDONJSA-N 211.255 2.916 0 50 BFAA CCCC1(CCC)O[C@]1(CC)C(=O)OC 669382743 LCLQJBPYZDHJIF-GFCCVEGCSA-N 214.305 2.677 0 50 BFAA C=CC(=O)N1CC2(CCC2)c2ccccc21 863970866 XLVWGNNXCFTPAD-UHFFFAOYSA-N 213.280 2.641 0 50 BFAA Cc1ccc(N)cc1-c1cnc2nsnc2c1 1875339999 HRFAYCLVDCYXGH-UHFFFAOYSA-N 242.307 2.644 0 50 BFAA O[C@H](c1ccccc1)c1nc2ccccc2[nH]1 43867 JEAWPIKEEQZLJQ-CYBMUJFWSA-N 224.263 2.645 0 50 BFAA in-vitro CCOC(=O)c1cc(Cl)c(O)c(Cl)c1 58255 WMKNGSJJEMFQOT-UHFFFAOYSA-N 235.066 2.876 0 50 BFAA in-vitro COc1ccc(-c2csc(N)n2)cc1C 351802 LSSLSLIGEXNGHL-UHFFFAOYSA-N 220.297 2.709 0 50 BFAA in-vitro CCC[C@@H](C)NC(=O)NC1CCCCC1 388932 FJQRSEXWVWHZQL-SNVBAGLBSA-N 212.337 2.807 0 50 BFAA CN(C)CCCOC(=O)c1cc2ccccc2o1 1747106 RTFSKDFNCDCEFX-UHFFFAOYSA-N 247.294 2.541 0 50 BFAA CCCNC(=O)Nc1cccc(C)c1C 2171494 OTKCFXWASCIQOC-UHFFFAOYSA-N 206.289 2.835 0 50 BFAA COc1ccc(C)cc1C(=O)C(F)(F)F 2579830 ZZQJGWYNTSMOMY-UHFFFAOYSA-N 218.174 2.749 0 50 BFAA CN(Cc1ccccc1)C(=O)c1ccc(O)cc1 19838739 MEDYNGXKKXEBEX-UHFFFAOYSA-N 241.290 2.664 0 50 BFAA CC(=O)c1cc(C(F)(F)F)ccc1O 36420617 BRSHLOIZDJDEPI-UHFFFAOYSA-N 204.147 2.614 0 50 BFAA in-vitro O=C(Cc1ccc(Cl)cc1F)N1CCCC1 71385461 DFCFRDGHYFAEES-UHFFFAOYSA-N 241.693 2.644 0 50 BFAA CSc1ncc(Br)cc1C 86032245 OAWBRQROKUPTAK-UHFFFAOYSA-N 218.119 2.874 0 50 BFAA in-vitro COCc1cc(NCCC2=CCCCC2)ncn1 91663716 VNXQAHQRDIZGAS-UHFFFAOYSA-N 247.342 2.925 0 50 BFAA CC(C)(C)C(=O)O[C@@H]1C(=O)CC[C@H]2[C@H]1C2(C)C 101144007 LMTBILDNMJSHOU-JMJZKYOTSA-N 238.327 2.579 0 50 BFAA Fc1cc(CNCC(F)F)ccc1Cl 147328209 HUDJSBPIMLLQOL-UHFFFAOYSA-N 223.625 2.834 0 50 BFAA O=C1CC[C@H](OCc2ccccc2)C[C@@H]1F 166958992 KBAAMMVYXJFIMQ-RYUDHWBXSA-N 222.259 2.663 0 50 BFAA Cc1ncccc1CNc1cccc(O)c1 170604396 NCAFPGRJVPGNAK-UHFFFAOYSA-N 214.268 2.708 0 50 BFAA COc1ccc(O)c(F)c1OC1CCCC1 261494482 YQCCGJOZKIQMPS-UHFFFAOYSA-N 226.247 2.861 0 50 BFAA CC[C@@H]1CC[C@H](NC[C@H]2CCCn3ccnc32)C1 299754090 FQWBUBDKNHTEOY-MCIONIFRSA-N 247.386 2.929 0 50 BFAA COC[C@@H]1CCCCN1Cc1cccc(F)c1 449761479 XZFPEPHACYJFGE-AWEZNQCLSA-N 237.318 2.827 0 50 BFAA Oc1nc(C2CC(F)(F)C2)nc2ccccc12 585086346 GITGDBKTJJSGBH-UHFFFAOYSA-N 236.221 2.848 0 50 BFAA NC(=O)C1(c2cc(F)cc(F)c2)CCCCC1 585672378 IWUULBRTMVSWBD-UHFFFAOYSA-N 239.265 2.652 0 50 BFAA Cc1ccc(-c2nc3c([nH]2)c(C)nn3C)cc1C 825145651 NXYXXHHXKOYJBO-UHFFFAOYSA-N 240.310 2.889 0 50 BFAA C=CC(=O)NC[C@H](C)c1cccc2cccnc12 1775997277 DJKUXVRZWYBEJJ-NSHDSACASA-N 240.306 2.641 0 50 BFAA CC(=O)Nc1ccc(Cl)cc1Cl 128991 GZSGTFDLLISMMA-UHFFFAOYSA-N 204.056 2.952 0 50 BFAA CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1-2 398872 PYGNVSDRIIPHQP-UHFFFAOYSA-N 237.258 2.856 0 50 BFAA O=C(NC1CCCCC1)c1cccs1 409475 HFWTZGQRJHFPRF-UHFFFAOYSA-N 209.314 2.811 0 50 BFAA Cc1ccc(NC(=O)C2CCCC2)nc1 473926 WHWRDBZLLKIXRZ-UHFFFAOYSA-N 204.273 2.519 0 50 BFAA COC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 1268145 CJTXOTLTFMCCSV-UHFFFAOYSA-N 236.658 2.517 0 50 BFAA CCCCOC(=O)Nc1ccc2c(c1)OCO2 1908398 DBEHLLRESYVTFD-UHFFFAOYSA-N 237.255 2.764 0 50 BFAA CCC(CC)NC(=O)COc1cccc(C)c1 2774554 KXACFFXJABMHOZ-UHFFFAOYSA-N 235.327 2.679 0 50 BFAA CC(C)[C@@H]1OC[C@@H]2Cc3ccccc3[C@@H]2O1 3683757 NOBNLHDWQDMAEA-IACUBPJLSA-N 218.296 2.929 0 50 BFAA biogenic C(=C/c1nnnn1-c1ccccc1)\c1ccccc1 4013638 JGIUHBSOZRGDEX-VAWYXSNFSA-N 248.289 2.833 0 50 BFAA Cc1ccc(NC(=O)NC2CC2)cc1C 6726666 OYSLELBIYRKEBF-UHFFFAOYSA-N 204.273 2.587 0 50 BFAA CC[C@H](NC(=O)OC)c1ccc(C)cc1 13320926 HKIYSRKBCDVDAV-NSHDSACASA-N 207.273 2.802 0 50 BFAA CCOC(=O)c1cccc(Cl)c1F 21300175 MCNAALBXEILIIB-UHFFFAOYSA-N 202.612 2.656 0 50 BFAA Nc1ccc(Cl)c(Br)c1 28278227 FVZODFVCIDBDGS-UHFFFAOYSA-N 206.470 2.685 0 50 BFAA in-vitro Cc1cc(Cl)c(Br)cc1N 35635950 INBHOPYATVVLEM-UHFFFAOYSA-N 220.497 2.993 0 50 BFAA in-vitro CCCOc1cc(O)c(C=O)c(OCCC)c1 36377881 AGEJIFIPSQCTCL-UHFFFAOYSA-N 238.283 2.782 0 50 BFAA CC(=O)OC[C@@]12CO[C@H](C)[C@@H](C1)C(C)=C[C@@H]2C 43959280 FLTREWUZEUGCGE-XCCSTKFXSA-N 238.327 2.557 0 50 BFAA CC[C@H](NC(=O)C(C)C)c1ccc(OC)cc1 60640890 FUVMUVCUKJPQMP-ZDUSSCGKSA-N 235.327 2.919 0 50 BFAA COc1ccc(-c2nc(CO)cs2)cc1C 67878649 INFFZARXKGLAAN-UHFFFAOYSA-N 235.308 2.619 0 50 BFAA CSc1cc(Br)ccc1C(=O)O 165960661 RRNVSDPZVLBTGE-UHFFFAOYSA-N 247.113 2.869 0 50 BFAA O=C(O)[C@H]1[C@@H](c2ccccc2)[C@H]2C=C[C@H]1C2 169421898 PWQBPEKAJJSVFH-ZDEQEGDKSA-N 214.264 2.677 0 50 BFAA CC(C)(C)CCN[C@H]1CCC[C@@H]1CCO 188596897 JZLHZCVQJUITPZ-NEPJUHHUSA-N 213.365 2.563 0 50 BFAA O=c1cc[nH]c2c(F)c(C(F)(F)F)ccc12 231279605 IPFIPNUNQNLNAS-UHFFFAOYSA-N 231.148 2.686 0 50 BFAA CCn1nccc1-c1nc(C)nc2ccccc12 426635476 NOILHDAHPFYNAP-UHFFFAOYSA-N 238.294 2.822 0 50 BFAA Nc1cc(Cl)ccc1-c1ccc(C(=O)O)o1 575444391 FYNREBALEMKBEE-UHFFFAOYSA-N 237.642 2.880 0 50 BFAA CCSC[C@@H](C)N1CCC(C(C)(C)O)CC1 670458323 MXBUWCXRFRSJFB-LLVKDONJSA-N 245.432 2.611 0 50 BFAA Nc1ccc(Nc2cncc3ccccc23)cn1 1201273045 ZTUNGNAZMVEVCG-UHFFFAOYSA-N 236.278 2.956 0 50 BFAA C=CC(=O)N[C@H]1C[C@@H]2CCCc3cccc1c32 1875366689 UNHRBJUUDIJSSC-AAEUAGOBSA-N 227.307 2.854 0 50 BFAA Cc1ccc([C@@H]2NC(=O)Cc3ccccc32)cc1 77272 CPWIHCKLMQQZOX-INIZCTEOSA-N 237.302 2.757 0 50 BFAA Cc1ccc(C(=O)OCCN2CCCCC2)cc1 210655 ZSBLNYWLMIACHK-UHFFFAOYSA-N 247.338 2.638 0 50 BFAA COc1ccccc1OCc1ccc(C=O)o1 373407 QUDMVQWVEBNXFS-UHFFFAOYSA-N 232.235 2.680 0 50 BFAA C[C@H]1CCC[C@@H](NC(=O)c2ccccc2)C1 406289 BSTHPONDLDGVEB-WCQYABFASA-N 217.312 2.995 0 50 BFAA Sc1nnc(NC2CCCCC2)s1 410231 JOPULZODGGQCOM-UHFFFAOYSA-N 215.347 2.571 0 50 BFAA in-vitro CCC(=O)Nc1ccccc1Br 514177 GCLTULYRNJFGNC-UHFFFAOYSA-N 228.089 2.798 0 50 BFAA in-vitro Cc1ccc2ccccc2c1NC(N)=S 2384389 WZBSRYHAMYUUEW-UHFFFAOYSA-N 216.309 2.804 0 50 BFAA COc1ccc(NC2(C(=O)O)CCCCC2)cc1 2545013 NZMAVUAAODMKSH-UHFFFAOYSA-N 249.310 2.895 0 50 BFAA CCCNC(=O)Nc1ccc(F)cc1C 6729634 GJTPIILDTGJGKL-UHFFFAOYSA-N 210.252 2.666 0 50 BFAA Cc1ccnc(NC(=O)Nc2cccc(F)c2)n1 6742214 YBCKRRZAXRVOQM-UHFFFAOYSA-N 246.245 2.568 0 50 BFAA COc1ccccc1NCc1ccc(C(=O)O)o1 8702207 XTVXHKONEDADPT-UHFFFAOYSA-N 247.250 2.599 0 50 BFAA Clc1nccc(OCc2ccccc2)n1 12359391 SNCGVIVLUWJDQN-UHFFFAOYSA-N 220.659 2.709 0 50 BFAA in-vitro COc1ccc(CN2CCC[C@@H](C)C2)c(OC)c1 16662759 DHDGUMNSZWJMRG-GFCCVEGCSA-N 249.354 2.936 0 50 BFAA CCCOc1cccc(Br)n1 16677917 JROFSFBGPCHTHB-UHFFFAOYSA-N 216.078 2.633 0 50 BFAA in-vitro COC(=O)c1ccc(F)c(Cl)c1Cl 47202318 YLMZQOBAGBAAEE-UHFFFAOYSA-N 223.030 2.919 0 50 BFAA in-vitro COc1ccc2c(c1)CC[C@@]1(C)C2=CC[C@H]1O 71774149 CVDBQWXONDFFGQ-CABCVRRESA-N 230.307 2.796 0 50 BFAA Nc1cc(C(F)(F)F)cc2ncccc12 95802890 AIWKCHBHDAOYRC-UHFFFAOYSA-N 212.174 2.836 0 50 BFAA Cc1ccc(F)cc1-c1nc([C@@H]2CCOC2)no1 96162900 DFTXUCHVSFJRKF-SECBINFHSA-N 248.257 2.688 0 50 BFAA Cc1ccc(-c2ccc(C(=O)NCCF)cc2)o1 97495346 PNITUNQZUNWNQV-UHFFFAOYSA-N 247.269 2.954 0 50 BFAA CC(C)N(C)C(=O)N1Cc2ccccc2C[C@@H]1C 190794033 UDAWLFGUNYTBDT-LBPRGKRZSA-N 246.354 2.893 0 50 BFAA CC(C)c1nc(-c2c(F)cc(O)cc2F)no1 216073873 ALIXSMOMSFSVBB-UHFFFAOYSA-N 240.209 2.844 0 50 BFAA Cc1cc(C(=O)O)ccc1OCC(C)(F)F 223180196 RWWFZBMDCRWBMY-UHFFFAOYSA-N 230.210 2.727 0 50 BFAA Cc1cc(N2C[C@H]3CC[C@H]2C3)nc(C(C)C)n1 245264358 CXLPZOGJWKGHMV-RYUDHWBXSA-N 231.343 2.897 0 50 BFAA CCCC[C@@H](C)C(=O)Nc1ccnc(C)n1 253395464 LRFFGMDWAKRTFY-SECBINFHSA-N 221.304 2.550 0 50 BFAA C[C@@H](C[C@@H]1CCOC1)NCc1ccccc1 307442697 AYWRSPGLDZQFJH-JSGCOSHPSA-N 219.328 2.591 0 50 BFAA CCCc1nccn1Cc1noc(C(C)(C)C)n1 332617975 DJKKWBWUOXKMKC-UHFFFAOYSA-N 248.330 2.564 0 50 BFAA CC(C)(C)c1csc(-c2nnsc2N)n1 408524318 SEWCDGRHNUTHAS-UHFFFAOYSA-N 240.357 2.541 0 50 BFAA Cc1nc(C)c(C)c(-c2ccc(N(C)C)nc2)n1 426442838 FNBGYEKLFBSXAF-UHFFFAOYSA-N 242.326 2.530 0 50 BFAA Cc1cccnc1CC(=O)N(C)CC1CCCC1 584891910 PRTXQSONAKBJIR-UHFFFAOYSA-N 246.354 2.581 0 50 BFAA CCC(C)(C)[C@H]1CCC(=O)C[C@@H]1N(C)C 725359771 GTFINJHJLQJGPZ-RYUDHWBXSA-N 211.349 2.722 0 50 BFAA O=C1C[C@H](c2ccccn2)Nc2ccccc2N1 1772716197 XKLQMQDPTQQSNT-CYBMUJFWSA-N 239.278 2.577 0 50 BFAA Cc1ccc([C@H](C)NC(=O)c2cc[nH]c2C)cn1 1857684063 XVGGXRZJPJRQFB-JTQLQIEISA-N 243.310 2.518 0 50 BFAA C[C@H]1S[C@@H](c2ccc(Cl)cc2)NC1=O 205677 ICYPBIOPOTZPGH-LDWIPMOCSA-N 227.716 2.590 0 50 BFAA O=Cc1cccc(-c2cccc(C(=O)O)c2)c1 2525619 QOCUSJPHQSKJJR-UHFFFAOYSA-N 226.231 2.864 0 50 BFAA in-vitro O=C1N/C(=C\c2ccccc2)c2ccccc21 2826240 ICCBGFWJTALFFU-UVTDQMKNSA-N 221.259 2.928 0 50 BFAA NC(=O)c1ccc(OCc2ccccc2F)cc1 7509736 ARHAVVDXPGTLBI-UHFFFAOYSA-N 245.253 2.504 0 50 BFAA CCOC(=O)/C=C(/C)Nc1ccccc1 12413144 NLGDIRPNWGZGLI-KTKRTIGZSA-N 205.257 2.565 0 50 BFAA Fc1cc(Cl)ccc1OC1CCNCC1 14631983 MIRJXYNRRGFRQS-UHFFFAOYSA-N 229.682 2.610 0 50 BFAA Cc1cccc(NC(=O)OC(C)(C)C)n1 15021499 XSVAARVWQDEAEL-UHFFFAOYSA-N 208.261 2.737 0 50 BFAA in-vitro O=C(Nc1cccnc1)[C@H]1CC12CCCC2 20780644 RZDOLANVULRPPR-LLVKDONJSA-N 216.284 2.600 0 50 BFAA O=C(O)c1cnc2cc(C(F)(F)F)ccc2c1 26506790 YPYGOIBPYXRZJA-UHFFFAOYSA-N 241.168 2.952 0 50 BFAA CCC(=O)Nc1ccc(C)cc1-c1cncnc1 32547873 NXSKRFXQBDOLKG-UHFFFAOYSA-N 241.294 2.801 0 50 BFAA O=C1CCCc2cc(Br)ccc21 34217723 OSDHOOBPMBLALZ-UHFFFAOYSA-N 225.085 2.968 0 50 BFAA in-vitro O[C@@H](c1ccc(Cl)s1)C(F)(F)F 40257572 JUGNSURGNNBXHS-YFKPBYRVSA-N 216.611 2.997 0 50 BFAA CC(=O)c1c(F)cccc1Br 72338571 ZTLLHQUYOLPVAR-UHFFFAOYSA-N 217.037 2.791 0 50 BFAA in-vitro O=C1c2ccccc2COc2cc(F)ccc21 90558508 BZAIXEGWNRZEFA-UHFFFAOYSA-N 228.222 2.949 0 50 BFAA in-vitro Cc1cccc(OCCN2C(=O)CC[C@@H]2C)c1C 95505042 QMLJYZDSIJZGJS-LBPRGKRZSA-N 247.338 2.693 0 50 BFAA C[C@]1(c2ccccc2)CCCN(CCC(=O)O)C1 95526558 KZCLUUSSKWSIQT-HNNXBMFYSA-N 247.338 2.515 0 50 BFAA O=Cc1cc(F)c(C(F)(F)F)c(F)c1 95704698 QTIOVUAQKHXLJC-UHFFFAOYSA-N 210.101 2.796 0 50 BFAA in-vitro Cc1ccc(F)c(CNc2cnccn2)c1 170612172 FDZSWISMUBUSRE-UHFFFAOYSA-N 217.247 2.536 0 50 BFAA Cc1nscc1C(=O)N1CCC[C@H](C)CC1 179680944 DCIZGBZMXFTBBZ-VIFPVBQESA-N 238.356 2.714 0 50 BFAA CCC(CC)Oc1ccc(S(C)(=O)=O)cc1 225622731 YNNXSTIKMFERMA-UHFFFAOYSA-N 242.340 2.658 0 50 BFAA CCN(CC)C[C@H](C)NCc1cnc(C)c(C)c1 670456625 GLBCMVVJJRVSNO-ZDUSSCGKSA-N 249.402 2.518 0 50 BFAA Cc1ccc([C@H](C)NC(=O)c2occc2C)cn1 670457950 JEOIGFCRWPJVNB-NSHDSACASA-N 244.294 2.782 0 50 BFAA Cc1cc(N)ccc1-c1cnc(N)c(C)c1 1244368689 KICKZZNEIWBFLL-UHFFFAOYSA-N 213.284 2.530 0 50 BFAA C=CC(=O)NCc1ccc(SCC)cc1 1335324816 UYICDSXDEZEINJ-UHFFFAOYSA-N 221.325 2.601 0 50 BFAA O=Cc1sc(C(F)F)nc1Br 1772716436 RZZYKNPKZKPPLV-UHFFFAOYSA-N 242.044 2.656 0 50 BFAA O=Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 165956 PMKPJAJMBQBTKE-UHFFFAOYSA-N 240.184 2.908 0 50 BFAA in-vitro COc1cccc(NC(=O)Cc2ccccc2)c1 298968 XTRFKRQPUNYSMZ-UHFFFAOYSA-N 241.290 2.876 0 50 BFAA Nc1cccc(OCCOc2ccccc2)c1 2165097 CNHROMZTZVDFGK-UHFFFAOYSA-N 229.279 2.727 0 50 BFAA in-vitro Cc1ccc(C)c(OCC(=O)NC2CCCC2)c1 2938317 ORYKDAPXOPHONJ-UHFFFAOYSA-N 247.338 2.741 0 50 BFAA Cc1ccc(C(F)(F)F)c(C(=O)O)c1 12359202 YYEMDMKMHBXYPV-UHFFFAOYSA-N 204.147 2.712 0 50 BFAA Cc1cscc1-c1nc2ccc(N)nc2[nH]1 86830846 FREUSWIRDMAHOA-UHFFFAOYSA-N 230.296 2.577 0 50 BFAA CC(C)n1cccc1-c1nc([C@H]2CCOC2)no1 96136065 KMYVGDOOOJYIFY-JTQLQIEISA-N 247.298 2.623 0 50 BFAA O[C@]12Cc3ccccc3[C@@H]3[C@H](c4ccccc41)[C@H]32 104280070 CWPZWBPNJQBXLL-LTIDMASMSA-N 234.298 2.941 0 50 BFAA CCOC(=O)C12CCC(F)(CC1)CC2 142014900 BCGYJICBVPWELW-UHFFFAOYSA-N 200.253 2.612 0 50 BFAA COC(=O)Cc1cc(Cl)nc2ccccc12 196294097 DEKMOGNNUXUIIW-UHFFFAOYSA-N 235.670 2.604 0 50 BFAA CC[C@@H](C)n1cnc2c(C)cc(C)cc2c1=O 199303432 LUOWYPXFIORFRJ-LLVKDONJSA-N 230.311 2.984 0 50 BFAA O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NC1CCCC1 248531687 PKDKXAPQIQXUBJ-SDDRHHMPSA-N 221.344 2.872 0 50 BFAA COc1ccc2[nH]cc(-c3cnn(C)c3)c2c1 426387254 JSJMEMNEBHIVMC-UHFFFAOYSA-N 227.267 2.577 0 50 BFAA Cc1ccc(-c2ccc(CN)c(F)n2)c(C)c1 675073559 LEVYWKOPDMXIJX-UHFFFAOYSA-N 230.286 2.963 0 50 BFAA CC(C)Cc1cc(NC2CCC2)ncn1 865526839 ZWVMVTWEOZRZRU-UHFFFAOYSA-N 205.305 2.640 0 50 BFAA C[C@@]1(c2noc([C@H]3CCCO3)n2)C=CCCC1 1875275617 GGRUERZFEYDSOA-ZWNOBZJWSA-N 234.299 2.919 0 50 BFAA Cc1cc(-c2cccc3c2O[C@@H](C)CN3)n[nH]1 2325778440 ZPVBWNSYGAVDMG-VIFPVBQESA-N 229.283 2.578 0 50 BFAA COc1ccc(CNc2ccccn2)cc1 50499 SMJGJENXFSWIMQ-UHFFFAOYSA-N 214.268 2.702 0 50 BFAA O[C@@H](CNC1CCCCC1)c1ccccc1 157267 ISYFTHDLBGNHQW-AWEZNQCLSA-N 219.328 2.642 0 50 BFAA in-vitro FC(F)(F)c1ccc(Br)nc1 166552 GSKMWMFOQQBVMI-UHFFFAOYSA-N 225.995 2.863 0 50 BFAA biogenic O=C(Cc1ccccc1)NCc1ccccc1 361383 CPKRCGUDZGKAPJ-UHFFFAOYSA-N 225.291 2.546 0 50 BFAA biogenic O=C(O)COC(c1ccccc1)c1ccccc1 378097 KWGQOJWITMQEOT-UHFFFAOYSA-N 242.274 2.877 0 50 BFAA CCC(=O)Oc1ccc2c(C)cc(=O)oc2c1C 449214 ZYPIJMZFZOOYKV-UHFFFAOYSA-N 246.262 2.725 0 50 BFAA COc1ccc(NC(=O)c2cccnc2)c(C)c1 1055321 MTLFQMMZWOLQNK-UHFFFAOYSA-N 242.278 2.651 0 50 BFAA Nc1nc2c(s1)C(=O)C[C@@H](c1ccccc1)C2 1245679 HRSUKZMYFXBXMT-VIFPVBQESA-N 244.319 2.638 0 50 BFAA Cn1nc(-c2ccc(Cl)c(Cl)c2)cc1N 1382218 SEELMHFUJOIMJM-UHFFFAOYSA-N 242.109 2.976 0 50 BFAA CC(=O)c1cc(C)ccc1Br 1598663 GNWZVFXHHVJNIP-UHFFFAOYSA-N 213.074 2.960 0 50 BFAA in-vitro O=C(O)Cc1ccc2[nH]c3ccccc3c2c1 2294005 OKOWWPXKLYLOLH-UHFFFAOYSA-N 225.247 2.948 0 50 BFAA Cc1cc(C)n(C(=O)[C@]2(C)CC2(Cl)Cl)n1 2761057 KSXNBYSDAUELKO-VIFPVBQESA-N 247.125 2.724 0 50 BFAA CC(C)(C)C(=O)NCCCc1ccccc1 2878350 PRLMMNSGUKMDDE-UHFFFAOYSA-N 219.328 2.782 0 50 BFAA C[C@@H]1CN(C)[C@H](C)C[C@H]1Nc1ccccc1 4004597 ULQYBPZNWILIFK-YRGRVCCFSA-N 218.344 2.827 0 50 BFAA Cc1cc(C(=O)O)ccc1NCc1cccnc1 4935119 KGPWPUWDOGLDKM-UHFFFAOYSA-N 242.278 2.700 0 50 BFAA Cc1cccc(CC(=O)NC2CCCCC2)c1 6726713 AFGFGGIBHGZNAV-UHFFFAOYSA-N 231.339 2.986 0 50 BFAA O=C(NC1CCCC1)N1CCc2ccccc2C1 9874251 DSMXKAQEIBTJFM-UHFFFAOYSA-N 244.338 2.697 0 50 BFAA CCc1cc(C(=O)Nc2ccncc2)cs1 16602845 RQXRPXCFCHZYHC-UHFFFAOYSA-N 232.308 2.958 0 50 BFAA Nc1nccc(-c2cccc3ccccc23)n1 20534025 GWDXAKCWBPZHCK-UHFFFAOYSA-N 221.263 2.879 0 50 BFAA NC[C@H]1C[C@H]1c1ccc(Br)cc1 34893371 JDPOCUFHXPTLJW-SCZZXKLOSA-N 226.117 2.511 0 50 BFAA CCCC(=O)c1c(NC(C)C)cc(C)oc1=O 100345898 SMPZQRNDZKZJBV-UHFFFAOYSA-N 237.299 2.751 0 50 BFAA C=Cc1ccc(NC(=O)C(C)(C)C)nc1 117841211 DUSUDDSKKLCVMN-UHFFFAOYSA-N 204.273 2.709 0 50 BFAA C[C@@H]1CC[C@H](c2nc(C(C)(C)C)no2)O1 129158337 JACAAGIILKZTQX-HTQZYQBOSA-N 210.277 2.607 0 50 BFAA CCn1nccc1-c1nc2cc(C)ccc2n1C 133190149 KJKUGMNYYSSYTH-UHFFFAOYSA-N 240.310 2.765 0 50 BFAA CC(C)(C)OC(=O)N1CC=C(C(F)(F)F)C1 137735664 VYTGKLCSSXKVTE-UHFFFAOYSA-N 237.221 2.726 0 50 BFAA FC1(F)CN(c2ncccc2C(F)(F)F)C1 169725700 XVZRAYDOMVCXAR-UHFFFAOYSA-N 238.159 2.556 0 50 BFAA COc1cccc(OCc2ncc(C)o2)c1 174067436 JNAISBMSFAHOBP-UHFFFAOYSA-N 219.240 2.571 0 50 BFAA C[C@@H]1C[C@H](N)CCN1C(=O)CCCC(C)(C)C 237381461 KHNUENFSEYRMCJ-VXGBXAGGSA-N 240.391 2.541 0 50 BFAA Cc1ccoc1CN[C@@H]1C[C@H](N)c2ccccc21 261562175 GIQTUKDIFQPHMF-UONOGXRCSA-N 242.322 2.822 0 50 BFAA CC(C)NC(=O)c1cccc(Br)c1 29880 FRETYNHHZZBJMZ-UHFFFAOYSA-N 242.116 2.587 0 50 BFAA in-vitro Nc1cccc(Nc2ncnc3ccccc23)c1 64952 VABQVFUQOPCNBG-UHFFFAOYSA-N 236.278 2.956 0 50 BFAA Fc1ccc(C2=CSC3=NCCN23)cc1 78622 HPOWALXKCNUALK-UHFFFAOYSA-N 220.272 2.543 0 50 BFAA CCc1cc(Br)ccc1N 157192 LGOZNQPHTIGMQJ-UHFFFAOYSA-N 200.079 2.594 0 50 BFAA in-vitro O=C(CCN1CCCCCC1)Nc1ccccc1 176336 QEUVPSJGVGZLIF-UHFFFAOYSA-N 246.354 2.891 0 50 BFAA CCOC(=O)[C@@H](CC)c1ccc(NC(C)=O)cc1 390535 PLCHXGXAYBEKEN-ZDUSSCGKSA-N 249.310 2.702 0 50 BFAA C[C@@H](CCN1CCC[C@@H]1CO)c1ccccc1 1225392 ZWAOPSWRRKHRKN-DZGCQCFKSA-N 233.355 2.637 0 50 BFAA CCCCC[C@@H](O)[C@@H](CO)CCCC 1655727 KBGFEZLHKQYIPE-VXGBXAGGSA-N 202.338 2.726 0 50 BFAA CCCn1c(S)nnc1-c1cccs1 2569168 KHQDANCRFUXMJI-UHFFFAOYSA-N 225.342 2.705 0 50 BFAA in-vitro CC(=O)Nc1cccc(NC(C)C)c1N=O 3879190 HQHAOEUCANVHNL-UHFFFAOYSA-N 221.260 2.863 0 50 BFAA Nn1c(-c2ccccc2)csc1=S 5491244 XZYFQEHISZDSHA-UHFFFAOYSA-N 208.311 2.660 0 50 BFAA S=c1[nH]ccn1CCc1ccccc1 5731413 XBZXYFCIMSXPKA-UHFFFAOYSA-N 204.298 2.788 0 50 BFAA O=C(Cc1ccccc1)NCc1ccccc1F 6260718 KKMHQFBNKKGALH-UHFFFAOYSA-N 243.281 2.685 0 50 BFAA O=C(O)c1ccc2nc(-c3ccccc3)[nH]c2c1 6740823 SDDSSZSKEQLSGW-UHFFFAOYSA-N 238.246 2.928 0 50 BFAA Oc1ccccc1C(=S)N1CCCCCC1 13125451 GMMHAHQRANMSCS-UHFFFAOYSA-N 235.352 2.944 0 50 BFAA C[C@H]1Cc2cc(-c3ccno3)ccc2O1 36367086 KYNVBKQBBUJVNS-QMMMGPOBSA-N 201.225 2.665 0 50 BFAA O=C(O[C@@H]1CCCS1)c1ccccc1 43199193 GFQZMGVKSGNWGT-JTQLQIEISA-N 208.282 2.697 0 50 BFAA O[C@H]1CCCN(CC[C@H]2CCc3ccccc32)C1 200482719 TZFQVXVQAQQCJC-CABCVRRESA-N 245.366 2.563 0 50 BFAA C1CC2(C1)CC(N[C@@H]1CCO[C@H](C3CC3)C1)C2 334796212 DVVBZKFDGDUPPR-OCCSQVGLSA-N 235.371 2.866 0 50 BFAA COc1cccc(C(=O)N[C@H]2CCC[C@@H]3C[C@H]23)c1 408520020 LYILXOOJPACPPG-SWHYSGLUSA-N 245.322 2.614 0 50 BFAA C[C@@H]1CCC(=O)C[C@@H]1OCC1CCCC1 725363097 XXIPUXAQWDOMNZ-MFKMUULPSA-N 210.317 2.951 0 50 BFAA CSc1ncc(-c2ccccc2)cn1 169964 XWLUWHOSZCALLD-UHFFFAOYSA-N 202.282 2.866 0 50 BFAA O=C(/C=C/c1ccccc1)N1CCCCC1 238700 KNOXUMZPTHELAO-MDZDMXLPSA-N 215.296 2.712 0 50 BFAA COC(=O)c1cnc(-c2ccccc2)nc1Cl 335964 CFHSQIFEGKNHQK-UHFFFAOYSA-N 248.669 2.584 0 50 BFAA Cc1ccc(C(=O)C(F)(F)F)cc1F 2378587 GMGYOGJDXAFXGX-UHFFFAOYSA-N 206.138 2.879 0 50 BFAA Cc1ccccc1NC(=O)NCc1ccco1 3958923 JDFYBIQKXZAMMA-UHFFFAOYSA-N 230.267 2.910 0 50 BFAA COc1ccc2cc([C@H](C)N)ccc2c1 12383743 VUFKZXAYBCKZFL-VIFPVBQESA-N 201.269 2.868 0 50 BFAA in-vitro c1nc(-c2ccc3c(c2)OCO3)cs1 12404822 ROXYDJTVGNJDIO-UHFFFAOYSA-N 205.238 2.539 0 50 BFAA in-vitro C[C@H]1C[C@H]1C(=O)NC1CCCCCCC1 13329323 SEFREKPHHHXHTH-CMPLNLGQSA-N 209.333 2.872 0 50 BFAA O=Cc1ccc(CN2CCCCC2)s1 16943077 RWKSLQNLAHNVDQ-UHFFFAOYSA-N 209.314 2.547 0 50 BFAA in-vitro CCc1ccc(CN2CCN(C(C)C)CC2)cc1 19853947 PTUBKMFHSNSOHD-UHFFFAOYSA-N 246.398 2.775 0 50 BFAA CC(C)(C)OC(=O)Oc1cn2ccccc2n1 95910879 XUVXDFJAAQXUBH-UHFFFAOYSA-N 234.255 2.648 0 50 BFAA in-vitro CSC[C@@](C)(O)CN[C@@H](C)C1CCCCC1 165351648 HTSWSSYOEDTCFV-AAEUAGOBSA-N 245.432 2.659 0 50 BFAA CCC[C@@H]1CN(c2ccccc2)CCC1=O 231157254 AIAZZXROARFTME-GFCCVEGCSA-N 217.312 2.882 0 50 BFAA Cc1cccc(Oc2ccc(O)cn2)c1 238501611 IBZILJHYWZJMCH-UHFFFAOYSA-N 201.225 2.888 0 50 BFAA CC1(C)CN([C@@H]2C[C@@H]2c2ccccc2)CC[C@H]1O 291176282 NSYTVKRMHVCBPK-RBSFLKMASA-N 245.366 2.635 0 50 BFAA CCOC(=O)/C=C/c1c[nH]c2cc(OC)ccc12 306134575 NSJQTEWTTKBOKW-QPJJXVBHSA-N 245.278 2.753 0 50 BFAA CC(C)(F)c1nc(-c2cc[nH]c3nccc2-3)no1 351156350 PDKGYIKBLUMUJD-UHFFFAOYSA-N 246.245 2.769 0 50 BFAA COc1cc(-c2ccncc2)c(F)cc1C(=O)O 534639537 SUZWTHYEGVYMRO-UHFFFAOYSA-N 247.225 2.595 0 50 BFAA CCCCCOCC(=O)N1CCC=C(Cl)C1 585126710 GPQWIFDLXGSEAQ-UHFFFAOYSA-N 245.750 2.548 0 50 BFAA CCC(CC)NC(=O)c1ccc(OC)cc1 30953 LAMRWFGCKRUQEF-UHFFFAOYSA-N 221.300 2.614 0 50 BFAA biogenic CCOc1ccc(C(=O)N[C@H](C)CC)cc1 124991 LPVBWNAKEBOUAL-SNVBAGLBSA-N 221.300 2.614 0 50 BFAA C1CCN(C[C@@H]2COC3(CCCCC3)O2)CC1 238634 QYPMYEBDZRSXPG-CYBMUJFWSA-N 239.359 2.548 0 50 BFAA C[C@@H](NC(=O)c1ccccc1C(=O)O)C(C)(C)C 391518 QUZGNIZLRAGRHB-SECBINFHSA-N 249.310 2.549 0 50 BFAA Cc1cc(C)cc(OC(=O)c2cccnc2)c1 451680 PNKYYSDVRPSGKB-UHFFFAOYSA-N 227.263 2.918 0 50 BFAA CC(C)NC(=O)[C@@H](C)Oc1cccc(Cl)c1 579789 OFNZPEMCADZALP-SECBINFHSA-N 241.718 2.632 0 50 BFAA CCc1ccccc1NC(=O)c1cnn(C)c1C 1002108 ZLZFDNXFLLILEU-UHFFFAOYSA-N 243.310 2.543 0 50 BFAA Nc1cnn(Cc2cccc3ccccc23)c1 2505970 WWWNMQLKBLTLSP-UHFFFAOYSA-N 223.279 2.667 0 50 BFAA in-vitro Cc1cccc(O[C@@H](C)C(=O)N2CCCCC2)c1 4832801 STTVCUBVKLWQAB-ZDUSSCGKSA-N 247.338 2.775 0 50 BFAA C[C@H]1CCC[C@H](C)N1C(=O)NC1CCCC1 13328232 YUVDGWCUBSIXBY-QWRGUYRKSA-N 224.348 2.902 0 50 BFAA CC[C@H](C)NC(=O)[C@@H](C)Oc1cccc(C)c1 14397116 XJWYOJRJIJAQQF-NWDGAFQWSA-N 235.327 2.677 0 50 BFAA CC(C)(C)OC(=O)n1ccc2cc(F)cnc21 14401009 HKZLVKNLNVZTAQ-UHFFFAOYSA-N 236.246 2.959 0 50 BFAA in-vitro Cc1ccc(SC2CCNCC2)cc1 14807751 IPIKINKOVYQXEH-UHFFFAOYSA-N 207.342 2.839 0 50 BFAA in-vitro CC(C)NC(=O)c1ccccc1C(F)(F)F 16651652 WOPWGJQRMPNINY-UHFFFAOYSA-N 231.217 2.844 0 50 BFAA O=C1Nc2cc(Br)ccc2CO1 45328871 RMTHEGCZJQQBPX-UHFFFAOYSA-N 228.045 2.511 0 50 BFAA in-vitro NC(=S)Nc1ccc(F)cc1C(F)(F)F 67800247 CILZFAIRRQCOTA-UHFFFAOYSA-N 238.209 2.500 0 50 BFAA COC(=O)c1ccnc(-c2ccc(C)cc2)c1 97757124 DRNAOKATFVBPSB-UHFFFAOYSA-N 227.263 2.844 0 50 BFAA O=C1[C@H]2C=C[C@H]1[C@H]1[C@H]2[C@H]2C[C@H]1c1ccccc12 104282723 IBMKGOBRXZCXBC-GXYBRJDSSA-N 222.287 2.888 0 50 BFAA C[C@@H]1CN(C)[C@H](C)[C@@H]2c3ccccc3N[C@@H]12 247722458 BPLHAAXKXWWSDI-MHWZDGSBSA-N 216.328 2.534 0 50 BFAA Cc1sc(-c2cc[nH]n2)nc1C1CCOCC1 333740366 VSGKZKFOZJBSDI-UHFFFAOYSA-N 249.339 2.736 0 50 BFAA C=CC(=O)N1C[C@H](c2ccccc2)C[C@H]1C 952888244 PKWHJNNNWRYYJW-DGCLKSJQSA-N 215.296 2.577 0 50 BFAA CSC[C@H](Cc1ccc(F)cc1F)C(=O)O 1857783334 DPWYDLOCOQFNRG-QMMMGPOBSA-N 246.278 2.571 0 50 BFAA Cc1cc(=O)oc2cc(OC(=O)C(C)C)ccc12 139055 YHKLRONIWKBAQX-UHFFFAOYSA-N 246.262 2.663 0 50 BFAA biogenic O=C(O)Cc1ccc(Cl)cc1Cl 156490 GXMWLJKTGBZMBH-UHFFFAOYSA-N 205.040 2.621 0 50 BFAA in-vitro O=C(CCC1CCCC1)Nc1ccccn1 253693 GMWRHMIQOLPTGZ-UHFFFAOYSA-N 218.300 2.991 0 50 BFAA C1CSCCSCCSCCS1 409256 MULBAFLKPUVJKC-UHFFFAOYSA-N 240.484 2.933 0 50 BFAA in-vitro Cc1nc(-c2ccccc2)c(CC(=O)O)s1 1514376 KNTHNSIRLQYLHR-UHFFFAOYSA-N 233.292 2.746 0 50 BFAA O=Cc1ccc(-c2ccc(C=O)cc2)cc1 2041311 FEHLIYXNTWAEBQ-UHFFFAOYSA-N 210.232 2.979 0 50 BFAA in-vitro C[C@@H](CCN1CCC[C@@H](CO)C1)c1ccccc1 2489899 UZWDCTRSDGYWLJ-LSDHHAIUSA-N 247.382 2.885 0 50 BFAA OCCSc1ccc(C(F)(F)F)cc1 2511116 CTBDPWZFUOFNIH-UHFFFAOYSA-N 222.231 2.790 0 50 BFAA COc1cc(C(=O)O)cc(Cl)c1OC(C)C 2656562 SHWDMVBTBWPOON-UHFFFAOYSA-N 244.674 2.834 0 50 BFAA CCCOC[C@H](C)OC(=O)c1ccccc1 3122397 MKFCIVQLIHXEON-NSHDSACASA-N 222.284 2.659 0 50 BFAA CC(C)N(Cc1ccccc1)C(=O)N(C)C 4808095 VRQLKOOMWOZNGW-UHFFFAOYSA-N 220.316 2.579 0 50 BFAA CCN(CC)CC(=O)Nc1ccc(C)cc1C 5125682 NCOAXMSOFNEVJI-UHFFFAOYSA-N 234.343 2.584 0 50 BFAA in-vitro O=Cc1cc2cc(Br)ccc2[nH]1 12336780 CFABANPJKXPUFN-UHFFFAOYSA-N 224.057 2.743 0 50 BFAA in-vitro NCc1cc(COc2ccccc2)cs1 16943261 VZQAPXJGWQUIMY-UHFFFAOYSA-N 219.309 2.786 0 50 BFAA CC(C)[C@H](O)c1ccc([C@H](C)C(=O)O)cc1 22060704 RMOQYHYFRKTDRI-CABZTGNLSA-N 222.284 2.564 0 50 BFAA world COCOC/C(C)=C/COCc1ccccc1 35837587 PJNIJQSPHBMVHQ-MDWZMJQESA-N 236.311 2.770 0 50 BFAA COc1c(F)ccc(F)c1Br 36533234 RVTSPLCYEWOMOD-UHFFFAOYSA-N 223.016 2.736 0 50 BFAA Cc1cc(C(=O)OC(C)(C)C)ccc1N 37729914 HFMIRAQWPTZEAH-UHFFFAOYSA-N 207.273 2.533 0 50 BFAA Clc1ccc2[nH]cc(Br)c2n1 44712845 BOICHORMLBIXPC-UHFFFAOYSA-N 231.480 2.979 0 50 BFAA in-vitro Cc1nc(-c2c(-c3ccccc3)ncn2C)c[nH]1 65502623 BZMJTBJKSOUPGE-UHFFFAOYSA-N 238.294 2.786 0 50 BFAA COC(=O)c1sc(C)cc1Br 66322817 MJFMUPYFABQHRA-UHFFFAOYSA-N 235.102 2.606 0 50 BFAA in-vitro O=C(O)c1cnc2ccsc2c1Cl 72230690 DTWMSCLROSNKBA-UHFFFAOYSA-N 213.645 2.648 0 50 BFAA in-vitro CCCCC[C@@H](C(=O)OCC)N1CCCCC1 96026404 RANWHPOVGAMVND-ZDUSSCGKSA-N 241.375 2.984 0 50 BFAA Cc1cc(F)c(Br)cc1C(=O)O 98214270 OFPHIASYPPAEEH-UHFFFAOYSA-N 233.036 2.595 0 50 BFAA in-vitro Cc1cccc(N2CCO[C@@H](c3ccco3)C2)n1 157924401 SJGPOJVQAZKJSB-CYBMUJFWSA-N 244.294 2.561 0 50 BFAA FC(F)(F)[C@H]1CNc2ccccc2C1 238561369 AYSIPBLBCZCUOC-MRVPVSSYSA-N 201.191 2.833 0 50 BFAA CC(=O)N1N=CC[C@@H]1[C@@H]1[C@@H](C)C=C(C)C[C@H]1C 239309727 HUMGQYPYCXKRLK-OIMNJJJWSA-N 234.343 2.831 0 50 BFAA c1ccc2nc(N3C[C@@H]4CCC[C@@H]43)cnc2c1 348219764 DPYRIXQFHKPKLL-GWCFXTLKSA-N 225.295 2.619 0 50 BFAA Cc1nc(-c2cc3c(nc2O)[C@@H](C)CCC3)no1 585120422 MNXVPPYDLCWDJU-ZETCQYMHSA-N 245.282 2.585 0 50 BFAA Cc1ccncc1[C@H](C)N[C@H](C)c1nccn1C 678770297 LCTJIIZXCOPGIL-NWDGAFQWSA-N 244.342 2.535 0 50 BFAA CNc1ccc(C=O)c(C(F)(F)F)c1 694980445 RHZUMLDYTMZRFN-UHFFFAOYSA-N 203.163 2.560 0 50 BFAA CCn1ncc(-c2cccc3c2OCC3)c1C 2356170898 DXCRJSUHMGIXTN-UHFFFAOYSA-N 228.295 2.813 0 50 BFAA COc1ccc(NC(=O)c2ccco2)c(OC)c1 102757 YWAQGIJFAUWHBN-UHFFFAOYSA-N 247.250 2.549 0 50 BFAA CCOc1cnc(-c2ccc(OC)cc2)o1 167946 AFQUGOKSOKISQG-UHFFFAOYSA-N 219.240 2.749 0 50 BFAA CCC(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C 391239 ZMRFZBKROHCLIL-BXKDBHETSA-N 233.267 2.505 0 50 BFAA in-vitro Fc1ccc(F)c(I)c1 404217 WBYVNDUCUMNZPM-UHFFFAOYSA-N 239.990 2.569 0 50 BFAA in-vitro C[C@@H]1CCC[C@H](NC(=O)COc2ccccc2)C1 406710 JBWQWECAMPHZCG-OLZOCXBDSA-N 247.338 2.760 0 50 BFAA COc1ccc(C(F)(F)F)cc1C=O 2510732 WFRURKYDETYZGF-UHFFFAOYSA-N 204.147 2.527 0 50 BFAA in-vitro CN(Cn1nnc2ccccc21)C1CCCCC1 3159441 DYYDYJVYNMNHKD-UHFFFAOYSA-N 244.342 2.653 0 50 BFAA C[C@@H](OC(=O)c1ccccc1)C(F)(F)F 3200663 QJEBGIHVFQQNJB-SSDOTTSWSA-N 218.174 2.794 0 50 BFAA Cc1[nH]c(=S)[nH]c1Cc1ccc(O)cc1 4343192 WOFYYOWIXXRSHN-UHFFFAOYSA-N 220.297 2.677 0 50 BFAA CCN(CC)CCOc1ccc(F)cc1 4989679 NPIQAVSDOHORAV-UHFFFAOYSA-N 211.280 2.546 0 50 BFAA O=C(O)c1cccc(C(=O)Cc2ccccc2)c1 6474866 AQVBEISJPKPDAH-UHFFFAOYSA-N 240.258 2.810 0 50 BFAA Cc1ccc(C(=O)N2CCC(C)CC2)s1 6650802 QHMJLDDVTQQYKF-UHFFFAOYSA-N 223.341 2.929 0 50 BFAA CN(Cc1ccccc1)C(=O)c1ccccc1N 8715903 CUXRYZPJXWJUNG-UHFFFAOYSA-N 240.306 2.541 0 50 BFAA in-vitro Cc1ccc2c(c1)CN(CC1CC1)C[C@H](C)O2 14879356 NKHICPCQHNNTAR-LBPRGKRZSA-N 231.339 2.988 0 50 BFAA COc1ccc(-c2ccc3[nH]ccc3c2)nn1 32537247 RAPQUGXNLQWWJG-UHFFFAOYSA-N 225.251 2.634 0 50 BFAA Cc1cc2cnn(C)c2cc1Br 36533442 WIZYXBZBDVQMCU-UHFFFAOYSA-N 225.089 2.644 0 50 BFAA in-vitro O=C(O)[C@@H]1C[C@@H]1c1ccccc1Br 37380954 SJXGNJABBYVEHY-HTQZYQBOSA-N 241.084 2.637 0 50 BFAA in-vitro CC(C)C(=O)NCCSCc1ccccc1 41008040 HRQCTPTZOWSYOY-UHFFFAOYSA-N 237.368 2.692 0 50 BFAA Cc1nc2c(N(CC3CC3)C(C)C)ncnc2o1 65406490 BURADRIIIZYRQY-UHFFFAOYSA-N 246.314 2.551 0 50 BFAA O=C(O)c1cc(Cl)c2cc(F)cc(F)c2n1 71025652 ZDXDOOIPFXQOFM-UHFFFAOYSA-N 243.596 2.865 0 50 BFAA O=C1CCn2ccc3cc(Cl)cc(c32)N1 71774071 BMPRCYYZOGHDGE-UHFFFAOYSA-N 220.659 2.637 0 50 BFAA COCCC[C@H]1CCCCN1Cc1cccnc1 77354471 CHSSNNNUUJITJH-OAHLLOKOSA-N 248.370 2.863 0 50 BFAA O=[S@@](O)c1cc(C(F)(F)F)ccc1Cl 125975288 ZNCQFFARKISWKB-UHFFFAOYSA-N 244.621 2.939 0 50 BFAA Brc1ccc([C@H]2CCO2)cc1 220703571 IGDUEYOZOWQMLC-SECBINFHSA-N 213.074 2.911 0 50 BFAA Cc1cnc(OC2CCCCC2)c(O)c1 261493880 LGMLWNILIDFYFR-UHFFFAOYSA-N 207.273 2.807 0 50 BFAA Cc1ccc([C@@]2(C(=O)N3CCC3)CC2(C)C)cc1 299756717 DWNJACQCWKECIH-MRXNPFEDSA-N 243.350 2.895 0 50 BFAA Cc1cc(F)cc(-c2cc(N(C)C)ncn2)c1 534574406 CPCDHIHPKVNYEO-UHFFFAOYSA-N 231.274 2.657 0 50 BFAA Brc1cnc(Cc2ccccc2)cn1 585672393 LCMDRWCVTHCHDN-UHFFFAOYSA-N 249.111 2.830 0 50 BFAA C=CC(=O)N(CC(C)C)c1cnn(C(C)C)c1 1875374473 RXFOYEXLESZTEE-UHFFFAOYSA-N 235.331 2.639 0 50 BFAA C[C@H]1CC[C@H]2CN=C(NCC3(C)CCCC3)N2C1 2325864150 HSXAKAOMGQWANO-STQMWFEESA-N 249.402 2.626 0 50 BFAA COC(=O)c1ccccc1C(=O)c1ccccc1 36688 NQSMEZJWJJVYOI-UHFFFAOYSA-N 240.258 2.704 0 50 BFAA in-vitro COC(=O)c1cc(F)c(Cl)cc1Cl 56856 DOGWJTCXQCCQBY-UHFFFAOYSA-N 223.030 2.919 0 50 BFAA COc1ccc(NC(=O)C2CC2)c2ncccc12 229539 FFNBEIDXFJONNK-UHFFFAOYSA-N 242.278 2.592 0 50 BFAA CC[C@@H](C)NC(=O)COc1c(C)cccc1C 612372 CTGLTPMLYNVPCN-GFCCVEGCSA-N 235.327 2.597 0 50 BFAA CCCCCOc1ccc(C(=O)O)cc1OC 1791643 HVTHYMNEWWNSKM-UHFFFAOYSA-N 238.283 2.962 0 50 BFAA COc1cccc(OCCCN2CCCCC2)c1 2494086 BNNMJJGIALMEMI-UHFFFAOYSA-N 249.354 2.950 0 50 BFAA COc1cc(Br)cc(F)c1F 2574965 UDTVFZBQFYOZST-UHFFFAOYSA-N 223.016 2.736 0 50 BFAA in-vitro CCCCNCCCOc1ccc(F)cc1 2903604 MOAHHOPMWHBVEB-UHFFFAOYSA-N 225.307 2.984 0 50 BFAA CCCCSC[C@@H](O)CN1CCCCCC1 2912971 BOYYMDHPDKHDJV-ZDUSSCGKSA-N 245.432 2.757 0 50 BFAA CCCCNc1nc(C)c(C(=O)OCC)s1 4294224 DTTJRKCVQMPVFF-UHFFFAOYSA-N 242.344 2.840 0 50 BFAA S=C(NCc1ccco1)N1CCCCCC1 6330910 XEMYRBBJSFCRFI-UHFFFAOYSA-N 238.356 2.530 0 50 BFAA CCn1ccc(C(=O)Nc2cc(F)ccc2C)n1 6698658 LISGXVUAHGTCSW-UHFFFAOYSA-N 247.273 2.603 0 50 BFAA Cc1ccc(NC(=O)Cc2ccccc2C)nc1 6714333 XESRCDQNFLBPKH-UHFFFAOYSA-N 240.306 2.880 0 50 BFAA FC(F)(F)c1cnccc1Br 30714826 RLVNVSDFDCYSAY-UHFFFAOYSA-N 225.995 2.863 0 50 BFAA in-vitro Cc1nscc1NC(=O)OC(C)(C)C 31776843 KIQMUEBPBWDMKO-UHFFFAOYSA-N 214.290 2.799 0 50 BFAA CCOC(=O)c1ccc(C(F)F)cc1 31829495 WISBDSSXPQJMIG-UHFFFAOYSA-N 200.184 2.801 0 50 BFAA COc1cccc(-c2cccc(NC(C)=O)c2)n1 32541497 XRGWYLHTLMYBFB-UHFFFAOYSA-N 242.278 2.716 0 50 BFAA CN(C)CCOc1ccc(C(C)(C)C)cc1 33809172 YIHQSHZGUVBLTN-UHFFFAOYSA-N 221.344 2.925 0 50 BFAA Cc1ccc(-c2cncc(C(=O)O)c2)cc1F 65347408 QTFPKJSSHWDDNP-UHFFFAOYSA-N 231.226 2.894 0 50 BFAA in-vitro c1ccc(CC[C@@H]2CN(C3CCC3)CCO2)cc1 65385443 YYJCOHNMIOFDFL-MRXNPFEDSA-N 245.366 2.873 0 50 BFAA Cc1c([C@@H](C)O)sc2nc3ccccc3n12 71773402 VQFPHFJUVJDQAI-MRVPVSSYSA-N 232.308 2.911 0 50 BFAA Brc1cn[nH]c1-c1cccs1 84506954 RDIZNLHXPPDDAV-UHFFFAOYSA-N 229.102 2.901 0 50 BFAA O=C(O)c1ccc(Cl)cc1OC(F)(F)F 91252028 SSORZLDIKSZDTH-UHFFFAOYSA-N 240.564 2.937 0 50 BFAA in-vitro Brc1ccc(OCC2CC2)cn1 91692826 ACWHKQKLDSZRPM-UHFFFAOYSA-N 228.089 2.633 0 50 BFAA in-vitro O=Cc1c(F)cccc1OC(F)(F)F 95704950 JTJYJVPLURTIBA-UHFFFAOYSA-N 208.110 2.537 0 50 BFAA in-vitro O=C1OCC[C@]23CC=CC[C@@]12CCCC3 101037625 ITCACGSPBXVUJH-CHWSQXEVSA-N 206.285 2.830 0 50 BFAA COc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)cc1 101671220 ATEMUGFCSNIPOK-JKOKRWQUSA-N 245.322 2.614 0 50 BFAA Nc1ccccc1Cc1ccc([N+](=O)[O-])cc1 212434347 KNLDJACFNUNPBU-UHFFFAOYSA-N 228.251 2.768 0 50 BFAA CCOc1ccc2[nH]c3c(c2c1)CCC[C@H]3N 214057449 YUJPBAZGLXHKKI-GFCCVEGCSA-N 230.311 2.903 0 50 BFAA CCN1CCC[C@H](c2cccc(C(=O)O)c2)C1 223011380 PADVPBRJTQFIOC-ZDUSSCGKSA-N 233.311 2.584 0 50 BFAA O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1nccs1 225155248 DTTXXLIMRVHLFD-GUBZILKMSA-N 236.340 2.908 0 50 BFAA Cc1ccc(F)c(CNc2ncccn2)c1 225479587 KIIJNPPWUKZRIJ-UHFFFAOYSA-N 217.247 2.536 0 50 BFAA C[C@H]1CCCCC[C@@H]1Nc1nc(C(=O)O)co1 228316267 RUGJNYCLKMCRMG-IUCAKERBSA-N 238.287 2.754 0 50 BFAA COc1c(C(F)(F)F)ccnc1Cl 238400785 CDEVFUDJYGVBDT-UHFFFAOYSA-N 211.570 2.762 0 50 BFAA CC(C)C(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 242914653 GVFIIUBNCJRDSI-NOOOWODRSA-N 209.333 2.583 0 50 BFAA CC(C)COc1ccc(Cl)c(F)n1 261493843 KLLPWVPEOMBQBA-UHFFFAOYSA-N 203.644 2.909 0 50 BFAA Cc1cc(C)nc(NCCCc2ccccn2)n1 269345564 DHTIXHIVPBVTHY-UHFFFAOYSA-N 242.326 2.533 0 50 BFAA COc1cnc(NC(=O)c2ccccc2C)s1 335852572 SEGBNJIFUMXHAN-UHFFFAOYSA-N 248.307 2.712 0 50 BFAA C=CC(=O)N1CC(C)(C)c2ccc(F)cc21 1353214312 BCFAZWKQAXLVCD-UHFFFAOYSA-N 219.259 2.636 0 50 BFAA CN(CC(C)(C)CO)c1nccc2ccccc12 1506410065 DAYPJGKWMZPSOH-UHFFFAOYSA-N 244.338 2.690 0 50 BFAA O=C(N[C@@H]1C=CCC1)c1ccc2ncccc2c1 1538481122 ZLAXEOZTEXCPND-CYBMUJFWSA-N 238.290 2.683 0 50 BFAA Cc1cc(C)nc(Nc2ccccc2C(=O)O)n1 32530 ZVKKVDGNHFQSNX-UHFFFAOYSA-N 243.266 2.535 0 50 BFAA CC(=O)Nc1ccc(F)cc1Br 56843 JAVSBNOXENOHEI-UHFFFAOYSA-N 232.052 2.547 0 50 BFAA biogenic,in-vitro Oc1ccccc1Cc1ccccc1O 155160 MQCPOLNSJCWPGT-UHFFFAOYSA-N 200.237 2.689 0 50 BFAA biogenic,in-vitro COC(=O)c1ncc(C(F)(F)F)cc1Cl 161365 IBDYTWWXSCCQRL-UHFFFAOYSA-N 239.580 2.540 0 50 BFAA COC(=O)c1cc(SC)sc1SC 334593 DZLFMNNUXRSOMX-UHFFFAOYSA-N 234.367 2.979 0 50 BFAA Cc1ccc([C@H](C)NC(=O)[C@H]2CCCO2)c(C)c1 1002254 SYHZQNBMJCXCSO-GXTWGEPZSA-N 247.338 2.660 0 50 BFAA NNc1ccccc1Oc1ccccc1 1392607 NYMGSEDQLNNAEN-UHFFFAOYSA-N 200.241 2.765 0 50 BFAA in-vitro CC(C)(C)OC(=O)c1ccnc(Cl)c1 2524959 FPUSSPQEUANTGI-UHFFFAOYSA-N 213.664 2.690 0 50 BFAA in-vitro O=C1Nc2ccccc2Nc2ccccc21 3126818 KVVFXAAMMFTLGN-UHFFFAOYSA-N 210.236 2.996 0 50 BFAA C[C@H]1CCCN(CCOc2ccccc2C=O)C1 4841417 PZXIULVRSZKBKX-ZDUSSCGKSA-N 247.338 2.610 0 50 BFAA in-vitro O[C@]12CCCC[C@H]1[C@H](c1cccc(F)c1)NCC2 6658430 BPOGTJYMYUHWNX-KKUMJFAQSA-N 249.329 2.781 0 50 BFAA O[C@@H]1CCCC[C@H]1n1cnc2ccccc21 12323770 VUBLCPRAFDAFRO-CHWSQXEVSA-N 216.284 2.512 0 50 BFAA CN1CCC[C@@H](C(=O)c2cccc(Cl)c2)C1 12761240 LLYTVMYJNJARES-LLVKDONJSA-N 237.730 2.865 0 50 BFAA Clc1cc(Br)cc2[nH]ncc12 14983101 MOYPLQILACEGCD-UHFFFAOYSA-N 231.480 2.979 0 50 BFAA in-vitro Cc1ccc(-c2ncn[nH]2)c2ccccc12 32529770 PKZPPWUBAOXDTE-UHFFFAOYSA-N 209.252 2.933 0 50 BFAA CCOC(=O)[C@]1(C)C2=C(CCC2=O)CC[C@@H]1C 45071825 ILALNAMAFMHOCC-XPTSAGLGSA-N 236.311 2.645 0 50 BFAA Cc1ccc(CCS(=O)(=O)CC(C)C)cc1 131834140 PSGXUDQDDVHIHL-UHFFFAOYSA-N 240.368 2.608 0 50 BFAA COc1ccc(-c2n[nH]c(C(C)C)n2)cc1C 426716178 SPMOLSPFEWJKGM-UHFFFAOYSA-N 231.299 2.912 0 50 BFAA Cc1ccc2n[nH]c(C)c2c1Br 585669981 LRAZIVUWZRXGHP-UHFFFAOYSA-N 225.089 2.942 0 50 BFAA CC(=O)N1CC(C)(C)Cc2ccccc21 646753838 MVDRJPCUAYEYTN-UHFFFAOYSA-N 203.285 2.622 0 50 BFAA Cc1[nH]c2ccccc2c1[C@H](O)c1ccccn1 71952 FHXILHLUEFRUNP-OAHLLOKOSA-N 238.290 2.953 0 50 BFAA Cc1ccc(NCn2nc(C)cc2C)cc1 291632 KJRRYNVOHPEKLS-UHFFFAOYSA-N 215.300 2.878 0 50 BFAA C[C@]12CCc3ccccc3[C@@]1(C)OC(=O)O2 4127532 RZFWPUPZZRXZLU-QWHCGFSZSA-N 218.252 2.774 0 50 BFAA C[C@H]1CCCCN1C[C@H](O)c1ccccc1 7001230 OAOFQUQSNBKOGF-JSGCOSHPSA-N 219.328 2.594 0 50 BFAA COc1ccccc1NC(=O)N1CCC(C)CC1 16552641 ZGFCAGSWSARNRY-UHFFFAOYSA-N 248.326 2.959 0 50 BFAA c1ccc([C@H]2NCCc3ccccc32)cc1 19370039 PRTRSEDVLBBFJZ-OAHLLOKOSA-N 209.292 2.922 0 50 BFAA in-vitro CC(C)[C@H]1CC[C@@H](C)CCN1C(=O)c1cc[nH]n1 117207343 QPXKETNWBMTTCQ-DGCLKSJQSA-N 249.358 2.697 0 50 BFAA CCc1cc(CC)n(-c2ccccc2O)n1 132637588 AKYRTWWMTOMHLH-UHFFFAOYSA-N 216.284 2.703 0 50 BFAA Oc1ccc(OC(F)(F)F)c(F)c1F 143690379 QTKTYUDIYQBSCZ-UHFFFAOYSA-N 214.089 2.569 0 50 BFAA CC(=O)N[C@@H]1CCc2cccc3cccc1c23 895391047 ZXUBCUFDDPOFQN-CQSZACIVSA-N 225.291 2.963 0 50 BFAA C=CC(=O)N[C@H](C)c1cn(C)c2ccc(C)cc12 1775997135 ALTHQSPSTKKKGS-LLVKDONJSA-N 242.322 2.850 0 50 BFAA C=CC(=O)NCc1cccc(-c2cccnc2)c1 1776000211 PIRJMXRYYNQYCW-UHFFFAOYSA-N 238.290 2.551 0 50 BFAA C=CC(=O)N1CCCc2cc(OC(C)C)ccc21 1776007149 SWIIKELBJUJQRK-UHFFFAOYSA-N 245.322 2.939 0 50 BFAA c1csc(-c2nccn2CCc2ncc[nH]2)c1 1875242981 KGDQPNSTHXLMQO-UHFFFAOYSA-N 244.323 2.577 0 50 BFAA CC(C)CNC(=O)c1cccc(Cl)c1 29708 JAKFOVZBAWHMCQ-UHFFFAOYSA-N 211.692 2.726 0 50 BFAA COc1ccc2c(c1)C(=O)c1ccccc1CO2 41777 GTFOTXQFXHOBJY-UHFFFAOYSA-N 240.258 2.819 0 50 BFAA in-vitro CCC[C@H](C)C(=O)N1C[C@@H](C)C[C@H](C)C1 456431 SXNGFYCOKWTRKW-SRVKXCTJSA-N 211.349 2.927 0 50 BFAA Cc1cc(Br)c(N)cc1Cl 1508461 ULCBEYQOSOVMMA-UHFFFAOYSA-N 220.497 2.993 0 50 BFAA in-vitro COc1c(Cl)cc(Cl)cc1C=O 1512522 OYKSTJSVNQYCRE-UHFFFAOYSA-N 205.040 2.815 0 50 BFAA in-vitro Cc1cc(NC(=S)N(C)N)ccc1C(C)C 2543505 UUYMACDXLGPOET-UHFFFAOYSA-N 237.372 2.621 0 50 BFAA Cc1cc(C)c2c(c1)C(C)(C)CC(=O)O2 4610822 CDANWZKJWBQCAG-UHFFFAOYSA-N 204.269 2.890 0 50 BFAA CCCNC(=O)C[C@@H](C)c1ccccc1 5591224 HLCLMJMOSKYAEO-LLVKDONJSA-N 205.301 2.706 0 50 BFAA CCC(=O)Nc1cccc(C(=O)N[C@H](C)CC)c1 12138788 MGPDHIZPRDIUNZ-SNVBAGLBSA-N 248.326 2.563 0 50 BFAA Brc1ccc2c(c1)CCCO2 21299196 KPFDABVKWKOIME-UHFFFAOYSA-N 213.074 2.774 0 50 BFAA in-vitro CCN1CCC[C@H]1CNCc1ccc(C)cc1 22935936 YDJFELFKNBKIFL-HNNXBMFYSA-N 232.371 2.569 0 50 BFAA COc1ccc2cc(C(=O)O)sc2c1 33358832 XTXMOIBADXDEKF-UHFFFAOYSA-N 208.238 2.608 0 50 BFAA in-vitro CCNC(C)(C)C(=O)c1cn(C)c2ccccc12 34222353 OOQNXPDSCHBEDO-UHFFFAOYSA-N 244.338 2.749 0 50 BFAA Clc1nc(Cl)c2c(n1)CCCS2 39593160 HIKOVOQFJFSCLL-UHFFFAOYSA-N 221.112 2.822 0 50 BFAA CC(C)c1cccc(Br)n1 40448742 GNBUFPXDJYBELS-UHFFFAOYSA-N 200.079 2.968 0 50 BFAA in-vitro COC(=O)c1ccc2cc(F)ccc2c1 44075943 FXLVPMMENJMZBM-UHFFFAOYSA-N 204.200 2.766 0 50 BFAA in-vitro O=C(O)c1cnccc1-c1ccc(F)cc1 65355607 MTERFRVVJUCSIL-UHFFFAOYSA-N 217.199 2.586 0 50 BFAA in-vitro C[C@H](Cn1cnnc1)c1ccc(Cl)cc1 65374729 HIEBWNHAZQAVNO-SECBINFHSA-N 221.691 2.735 0 50 BFAA C[C@@H]1CCCN1C(=O)Nc1ccc(Cl)cn1 175885512 LMDQKPJKDKTMHV-MRVPVSSYSA-N 239.706 2.751 0 50 BFAA CC(=O)c1c(F)ccc(F)c1Br 238121571 GLIIMDYPKPWEEA-UHFFFAOYSA-N 235.027 2.930 0 50 BFAA O=C(c1cccs1)N1CCC(CF)CC1 295694994 GBQORABSWBWCNL-UHFFFAOYSA-N 227.304 2.570 0 50 BFAA O=C(O)c1c(F)c(F)cc2ccccc12 68614 HQSZKMWMGQDJTF-UHFFFAOYSA-N 208.163 2.816 0 50 BFAA COc1ccc(C=O)c2c(OC)cccc12 271710 QPWMJXDYPQFBAI-UHFFFAOYSA-N 216.236 2.670 0 50 BFAA in-vitro O[C@@H](c1ccccc1)C(F)(F)C(F)(F)F 2565566 JBTHMWQTLWZQKH-ZETCQYMHSA-N 226.144 2.918 0 50 BFAA CCNc1nnc(-c2ccccc2OC)s1 2812192 LAMKGDFQYHDYGG-UHFFFAOYSA-N 235.312 2.646 0 50 BFAA CCOc1ccc2c(c1)SCC(=S)N2 4140064 MKZRRJSJDIULHF-UHFFFAOYSA-N 225.338 2.930 0 50 BFAA CC/C=C/C[C@@H]1C(=O)CC[C@H]1CC(=O)OC 5447659 GEWDNTWNSAZUDX-NNOMMRTBSA-N 224.300 2.501 0 50 BFAA endogenous,in-vitro Cc1cccc(C(=O)Nc2ccc(N)cc2O)c1 6709554 UURVNJBPFGTBJY-UHFFFAOYSA-N 242.278 2.535 0 50 BFAA Oc1ccc(-c2nccc(-c3ccccn3)n2)cc1 13125358 YLNSYKWQBPIKTR-UHFFFAOYSA-N 249.273 2.911 0 50 BFAA OCC[C@@H](c1ccccc1)c1ccncc1 15781474 AEZMUUJPIZPVAQ-AWEZNQCLSA-N 213.280 2.596 0 50 BFAA Cc1ccncc1NC(=O)OC(C)(C)C 22200296 DIHCQPPXAIYZOO-UHFFFAOYSA-N 208.261 2.737 0 50 BFAA in-vitro COCc1ccc(Br)cc1 28278325 JIMMXGXOJQXOQA-UHFFFAOYSA-N 201.063 2.596 0 50 BFAA in-vitro Nc1cc(-c2ccc(Br)cc2)on1 43574057 YINDFUSXBDZGIH-UHFFFAOYSA-N 239.072 2.686 0 50 BFAA CCOC(=O)c1cnc2ccc(F)cc2c1 45921524 NWHUAEQBXFNORT-UHFFFAOYSA-N 219.215 2.551 0 50 BFAA in-vitro COc1ccc2cc([C@H](O)CC(C)=O)ccc2c1 113024431 HLOFWGGVFLUZMZ-OAHLLOKOSA-N 244.290 2.861 0 50 BFAA C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)O)o1 238853083 IHYYDFPEYUTJFS-BZNPZCIMSA-N 206.241 2.591 0 50 BFAA in-vitro CC(C)c1nn(C)cc1-c1cccc2nccn12 904219572 OZDCMICQNGUIHF-UHFFFAOYSA-N 240.310 2.858 0 50 BFAA CC[C@H](Nc1nccc(N)n1)c1ccc(C)cc1 1529133769 BGGOFSSLWLJTSJ-LBPRGKRZSA-N 242.326 2.930 0 50 BFAA C=CC(=O)Nc1cc(C2CCCCC2)no1 1776000174 JROURNXKAKLUQY-UHFFFAOYSA-N 220.272 2.847 0 50 BFAA COC(=O)C(c1ccccc1)c1ccccc1 155335 AORIUCNKPVHMTN-UHFFFAOYSA-N 226.275 2.992 0 50 BFAA biogenic,in-vitro COc1ccc(CO)cc1OCc1ccccc1 174361 USBKCBSYNCWKLB-UHFFFAOYSA-N 244.290 2.767 0 50 BFAA biogenic CC(C)[C@H](C)NC(=O)Nc1ccccc1 409082 FUHIHFNTKRYEQQ-JTQLQIEISA-N 206.289 2.853 0 50 BFAA Cc1cc(C(=O)O)n(-c2ccc(Cl)cc2)n1 732357 MHQHJXWLBIAZGU-UHFFFAOYSA-N 236.658 2.532 0 50 BFAA OC1CCC(NC2C3CC4CC(C3)CC2C4)CC1 753462 TZLDKNBYQVHQQN-UHFFFAOYSA-N 249.398 2.704 0 50 BFAA C[C@@H](O)CNCc1ccc(-c2ccc(F)cc2)o1 4942864 RVSUHCFIFHCIAJ-SNVBAGLBSA-N 249.285 2.556 0 50 BFAA N[C@@H](c1ccccc1)c1ccc2[nH]cnc2c1 9115512 CSGGYTQFKDJKFI-AWEZNQCLSA-N 223.279 2.611 0 50 BFAA in-vitro CN1CCC[C@H](C(=O)c2cccc(Cl)c2)C1 12761245 LLYTVMYJNJARES-NSHDSACASA-N 237.730 2.865 0 50 BFAA CC(C)(C)c1ccc2oc(CCN)nc2c1 33420183 CDTYYVCTNDTKLA-UHFFFAOYSA-N 218.300 2.627 0 50 BFAA Fc1cnc(Br)cc1Cl 35569828 HLUPMKHZIRJTHT-UHFFFAOYSA-N 210.433 2.637 0 50 BFAA in-vitro c1ccc(CCSCCc2ccccn2)nc1 39339602 RXAXTHBQQSPZMJ-UHFFFAOYSA-N 244.363 2.995 0 50 BFAA COC(=O)c1cccc(C(F)(F)F)c1F 44199506 XOUMAABXMXACFQ-UHFFFAOYSA-N 222.137 2.631 0 50 BFAA in-vitro c1ccc2sc(OCC3CCNCC3)nc2c1 51869847 UYUGQBLNFLXVGD-UHFFFAOYSA-N 248.351 2.675 0 50 BFAA COC(OC)c1nc2[nH]ccc2cc1Cl 66054444 DQPMVEWAIWMTMO-UHFFFAOYSA-N 226.663 2.508 0 50 BFAA in-vitro CCc1ccc(CC(=O)NCc2ccco2)cc1 71375728 OUAJGGOZQUCHNG-UHFFFAOYSA-N 243.306 2.701 0 50 BFAA Ic1cccc2c1CCC2 80854249 MSVHXIIGNMLZCM-UHFFFAOYSA-N 244.075 2.780 0 50 BFAA Fc1ccccc1CCNc1nnc(C2CC2)o1 91416862 TUYFFLZYDAGLDV-UHFFFAOYSA-N 247.273 2.741 0 50 BFAA C[C@H](O)C[C@@H](C)CNCc1sccc1Cl 193121140 VHSISFZTKYUBKI-BDAKNGLRSA-N 247.791 2.898 0 50 BFAA Cc1ccc2c(=O)[nH]cc(Br)c2c1 217064338 ILRNCGNTDYWLOP-UHFFFAOYSA-N 238.084 2.599 0 50 BFAA CCCO[C@@H]1CCC[C@H](CCCO)C1 238247454 KNCACCCFPLJHEI-VXGBXAGGSA-N 200.322 2.744 0 50 BFAA C[C@]12[C@H]3C=C[C@@H](C3)[C@]1([Si](C)(C)C)[C@H]2C(=O)O 239046438 FRGMBCAWYUBFTI-STXZSOOUSA-N 236.387 2.992 0 50 BFAA C[C@H](O)C[C@H](C)CNC[C@H]1CCC[C@@H](C)C1 252487183 UFEFJKVUUPTTKU-RFGFWPKPSA-N 227.392 2.809 0 50 BFAA C[C@@H]1C[C@@H]1C(=O)N(C)[C@@H]1CCCC[C@H]1C 253356194 DRZPSBQCDQSQNS-WISYIIOYSA-N 209.333 2.680 0 50 BFAA CC/C=C/CCOC(=O)C[C@@H](CN)CC(C)C 408525681 RFOXYKBCAHMOSN-GFUIURDCSA-N 241.375 2.897 0 50 BFAA COc1cc(F)cc(-c2ccnc(OC)c2)c1 725242441 FMTXMOUDSUEMBU-UHFFFAOYSA-N 233.242 2.905 0 50 BFAA CCCC[C@H]1CCCN1Cc1cnc(OC)nc1 822834982 NZQYCQGBONRAHT-ZDUSSCGKSA-N 249.358 2.640 0 50 BFAA COC(=O)c1cc2c(nc1Cl)CC[C@@H](C)C2 1775971253 YLWOWKNQVHYTMK-SSDOTTSWSA-N 239.702 2.646 0 50 BFAA CCOc1ccc2oc(C)c(C(=O)O)c2c1 96566 NTADZSZNVASNHI-UHFFFAOYSA-N 220.224 2.838 0 50 BFAA COc1ccc(C(=O)N2CCCCCC2)cc1 123245 OOKCGNCOULVMQS-UHFFFAOYSA-N 233.311 2.711 0 50 BFAA Cc1c(C(=O)O)cnn1-c1ccc(Cl)cc1 159618 OAPQKGGVDCZENK-UHFFFAOYSA-N 236.658 2.532 0 50 BFAA in-vitro C[C@@H](NC(=O)C1CCC1)c1ccccc1 306862 AVDXXYLSJRRPFH-SNVBAGLBSA-N 203.285 2.664 0 50 BFAA CC[C@H](C)C(=O)Nc1ccc(F)c(F)c1 372721 TVNATGGVYMPRFS-ZETCQYMHSA-N 213.227 2.949 0 50 BFAA CC(C)C[C@@H](C)NC(=O)c1ccccc1 405214 VFMMJMOYGNCONK-LLVKDONJSA-N 205.301 2.851 0 50 BFAA OCc1cccc(OCc2ccccc2)c1 406921 AFKLSWIRJUJWKY-UHFFFAOYSA-N 214.264 2.758 0 50 BFAA in-vitro CCCNC(=O)Nc1ccc(C)c(C)c1 2171770 HJINEDURJBTGJQ-UHFFFAOYSA-N 206.289 2.835 0 50 BFAA CCCCCC(=O)CP(=O)(OC)OC 2539249 LQZCYXCHWNQBKX-UHFFFAOYSA-N 222.221 2.622 0 50 BFAA COC[C@@H](C)NCc1cccc(C(F)(F)F)c1 4030945 VCZJZOJROZZDRA-SECBINFHSA-N 247.260 2.830 0 50 BFAA C[C@]1(C(=O)Nc2cccnc2)CC1(Cl)Cl 4757523 NNXSQUVAQRKHBN-SECBINFHSA-N 245.109 2.604 0 50 BFAA NCCOc1ccc(OCc2ccccc2)cc1 19519271 AXGPCICACHBCSC-UHFFFAOYSA-N 243.306 2.603 0 50 BFAA CC(C)(C)OC(=O)Nc1ccc2c(c1)CNCC2 32103626 VTTOWYHROSNYPM-UHFFFAOYSA-N 248.326 2.679 0 50 BFAA COc1ccc(-c2ccc(C(=O)O)c(C)n2)cc1 39289590 OXHDNOVGUIWOET-UHFFFAOYSA-N 243.262 2.764 0 50 BFAA CSc1nc2cc(Cl)cnc2o1 40450093 JFZJWIAIEKPATO-UHFFFAOYSA-N 200.650 2.598 0 50 BFAA CCc1cnc(C)nc1-c1ccc(C(=O)O)cc1 67678966 PRAQYOQCPWYPMV-UHFFFAOYSA-N 242.278 2.713 0 50 BFAA CO[C@H](C)c1cccc(-c2cc(CO)ccn2)c1 97619644 LBUJXCSWMZCOBB-LLVKDONJSA-N 243.306 2.948 0 50 BFAA Cc1ccccc1C(=O)CC(=O)C(F)(F)F 100072621 NSWJGKUEKYWEEF-UHFFFAOYSA-N 230.185 2.699 0 50 BFAA in-vitro Cc1cccn2c(N)c(-c3ccccc3)nc12 100318276 LJOFRAMALMJSSL-UHFFFAOYSA-N 223.279 2.892 0 50 BFAA in-vitro CCCOc1cc(C)c(Br)cn1 164063040 INIMTJQVRIRZGX-UHFFFAOYSA-N 230.105 2.941 0 50 BFAA CC[C@@]1(CO)CCCN1Cc1ccccc1F 170087236 JSSIYFNTPQWNNG-AWEZNQCLSA-N 237.318 2.563 0 50 BFAA CCOc1cc(O)ccc1NC(=O)CC1CC1 170611573 KILUHULGXCLGMP-UHFFFAOYSA-N 235.283 2.530 0 50 BFAA CC(C)N(C)C(=O)N1Cc2ccccc2C[C@H]1C 190794018 UDAWLFGUNYTBDT-GFCCVEGCSA-N 246.354 2.893 0 50 BFAA O[C@@H]1C[C@@H]2C=C[C@@H]3C=C(c4ccccc4)[C@@H]1[C@@H]32 216396401 CFWGFWXYQMMSFE-CQOGHXNDSA-N 224.303 2.883 0 50 BFAA Cc1nsc(N2CCC[C@@H]2c2cccnc2)n1 370092582 ZGKMSNPQQJNRRC-LLVKDONJSA-N 246.339 2.583 0 50 BFAA Cc1cc(-c2ccc(Cl)cc2)n2ncnc2n1 342320 CWGIKQLFNNSIEU-UHFFFAOYSA-N 244.685 2.753 0 50 BFAA O=C(NCc1cccs1)c1cccc(F)c1 375576 JNLGDYMPWBZUDS-UHFFFAOYSA-N 235.283 2.817 0 50 BFAA CCN(CC)C(=O)CSc1ccccc1 379869 IUKLUPXCEUXOIW-UHFFFAOYSA-N 223.341 2.647 0 50 BFAA CCn1c(=O)sc2cc(Cl)ccc21 394085 PZMDLAXMHHIXFA-UHFFFAOYSA-N 213.689 2.736 0 50 BFAA CC[C@@H](C)c1ccc(NC(=O)/C=C/C(=O)O)cc1 474263 SGDJYWAORFDJLY-AAXQSMANSA-N 247.294 2.779 0 50 BFAA NCC[C@@H](c1ccc(F)cc1)c1ccco1 509721 ZLSUIZBQNWPKTJ-LBPRGKRZSA-N 219.259 2.899 0 50 BFAA in-vitro C[C@@H]1Cn2c(CCc3ccccc3)nnc2S1 1059236 YVVIWFGQNRUPFH-SNVBAGLBSA-N 245.351 2.558 0 50 BFAA CN(C)c1ccccc1Br 1665953 ONMSBNJJCUCYED-UHFFFAOYSA-N 200.079 2.515 0 50 BFAA in-vitro Cc1ccccc1NC(=O)CN1CCC[C@@H](C)C1 1684134 RQQFZGAMKZTGKO-GFCCVEGCSA-N 246.354 2.665 0 50 BFAA Nc1cc(Cl)c(C(F)(F)F)cc1N 2577655 BUSGYQISMPLVIJ-UHFFFAOYSA-N 210.586 2.523 0 50 BFAA in-vitro CC(=O)N1CCO[C@H]1C[C@@H](C)CCC=C(C)C 4026598 RKYXURFVIOUABL-JSGCOSHPSA-N 239.359 2.964 0 50 BFAA biogenic CC(C)(C)OC(=O)N1CCc2cc(N)ccc2C1 4240073 OLOIFCYZWOTWRO-UHFFFAOYSA-N 248.326 2.562 0 50 BFAA in-vitro Cc1nnc(S)n1Cc1ccc(Cl)cc1 6790222 AVCJFTJOJBLBNP-UHFFFAOYSA-N 239.731 2.577 0 50 BFAA Cc1ccc(C(F)(F)F)cc1NC(N)=S 13571663 WQXASGSEQGSJNH-UHFFFAOYSA-N 234.246 2.669 0 50 BFAA CC(=O)Nc1ccccc1[C@@H](O)c1ccccc1 34515208 HZEGZGIYWZMCQN-HNNXBMFYSA-N 241.290 2.727 0 50 BFAA CCc1ccccc1Nc1cc(C)nc(N)n1 72437522 RJPNKRJNDBMOPH-UHFFFAOYSA-N 228.299 2.673 0 50 BFAA COC(C)(OC)c1ccccc1Cl 138518082 YZZHEMAQHLUSTR-UHFFFAOYSA-N 200.665 2.806 0 50 BFAA CN(Cc1ccc(Cl)nn1)CC1CCCC1 167406365 HQGJNELJQSANFN-UHFFFAOYSA-N 239.750 2.752 0 50 BFAA CC(C)[C@H](NC[C@H]1CCCC(C)(C)C1)C(=O)O 170090855 RVGLVGIPCAZXPC-RYUDHWBXSA-N 241.375 2.902 0 50 BFAA Nc1ccc(C2(C(F)(F)F)CC2)cc1 306515616 DUADHNUIXCGJCP-UHFFFAOYSA-N 201.191 2.863 0 50 BFAA in-vitro C1=CO[C@H](CN[C@@H]2CCC23CCCC3)CC1 309655945 ZHPMGCSPWZXOPE-QWHCGFSZSA-N 221.344 2.992 0 50 BFAA O=[N+]1C(c2ccccc2)=CN(O)[C@@H]2CCCC[C@H]21 334157231 YTLJVIPSWQNKCW-CHWSQXEVSA-N 245.302 2.780 0 50 BFAA C=CC(=O)NC[C@H]1CCC[C@H](C(F)(F)F)C1 848979134 FUJBPJDTSHGDLY-IUCAKERBSA-N 235.249 2.657 0 50 BFAA CC1(CN2Cc3ccc(C(=O)O)cc3C2)CC1 901646864 AYNLNXSAOQUREX-UHFFFAOYSA-N 231.295 2.501 0 50 BFAA O=C(NC1CCCC1)[C@H]1C[C@@H]1c1ccccc1 182981 WNIHXHZBQPHZTC-KGLIPLIRSA-N 229.323 2.849 0 50 BFAA O=C(NCc1ccco1)Nc1ccc(F)cc1 347383 BMADWXFAIIIXJP-UHFFFAOYSA-N 234.230 2.740 0 50 BFAA CC(C)CCOC(=O)c1ccc(N(C)C)cc1 395573 OFSAUHSCHWRZKM-UHFFFAOYSA-N 235.327 2.956 0 50 BFAA O=C(Cc1cccs1)NCc1ccccc1F 1055138 ZAAXYWHRAGBIFS-UHFFFAOYSA-N 249.310 2.746 0 50 BFAA O=C(c1ccc(Cl)c(F)c1F)N1CCCC1 1118442 ZWQMTWSUQLPAAP-UHFFFAOYSA-N 245.656 2.854 0 50 BFAA CC(=O)c1cc(Cl)c(N)c(Cl)c1 2561206 JLPKZJDZXIKSCP-UHFFFAOYSA-N 204.056 2.778 0 50 BFAA in-vitro NCc1nc(-c2cccc(Cl)c2)cs1 3710502 XOTXYQRNWWDGAV-UHFFFAOYSA-N 224.716 2.922 0 50 BFAA Cc1ccc(Nc2nnc(C)s2)cc1 6702957 HSJREVUIKVBBNT-UHFFFAOYSA-N 205.286 2.899 0 50 BFAA Cc1nc(-c2ccc(O)c(F)c2)cs1 12879609 NBDXQEHDLAFUAQ-UHFFFAOYSA-N 209.245 2.963 0 50 BFAA in-vitro CC[C@H](C)NC(=O)[C@H](C)Oc1ccc(C)cc1 13001589 AORSHQLOSLDSTP-RYUDHWBXSA-N 235.327 2.677 0 50 BFAA Nc1ccc2cnccc2c1Br 13488994 JDEBLBVBKMBILY-UHFFFAOYSA-N 223.073 2.580 0 50 BFAA Nc1ccc(C2=NCCc3ccccc32)cc1 71773246 UVDJWHOCDAFKPU-UHFFFAOYSA-N 222.291 2.662 0 50 BFAA C[C@@H]1OCC[C@H]1Nc1ccc2c(c1)CCC2 134053109 BYZKJCJRXJLASJ-IINYFYTJSA-N 217.312 2.765 0 50 BFAA Cn1cccc1[C@H]1COCCN1[C@H]1C=CCCC1 189579496 CGVCALGOFTZFEH-DZGCQCFKSA-N 246.354 2.507 0 50 BFAA CC(C)COc1c(F)cc(O)cc1F 261493447 BFWFHKFWMFULCF-UHFFFAOYSA-N 202.200 2.705 0 50 BFAA COC(=O)c1cc(F)cc(C)c1Cl 306937126 KOWDYLBNZKLGDP-UHFFFAOYSA-N 202.612 2.574 0 50 BFAA in-vitro Cc1ccccc1C(=O)NC1(C(F)F)CC1 334335177 ZSYIDWAPVHZDTG-UHFFFAOYSA-N 225.238 2.523 0 50 BFAA O=C(C1CCCC1)N1CCCCc2cccnc21 872300766 MNVSXWBWPJXPQR-UHFFFAOYSA-N 244.338 2.941 0 50 BFAA Cc1cc(CN[C@@H](C)CN(C)C(C)C)cnc1C 1506421747 MLNMQDMKXJFZKY-ZDUSSCGKSA-N 249.402 2.517 0 50 BFAA COC(=O)C=C(C)CCc1ccccc1 1857790498 COLHOBDBQPCZGQ-UHFFFAOYSA-N 204.269 2.739 0 50 BFAA COc1ccc(-c2nncc(C)c2C)cc1OC 2100557428 SBDSTOYMFVIQJQ-UHFFFAOYSA-N 244.294 2.778 0 50 BFAA O=Cc1ccc2c(c1)OC(F)(F)C2(F)F 2325904080 VZNJZYOYDKMSJA-UHFFFAOYSA-N 220.121 2.576 0 50 BFAA CCN(CC)C(=O)c1ccccc1Cl 126147 MZJHBUKIOBJCAW-UHFFFAOYSA-N 211.692 2.822 0 50 BFAA in-vitro O=C(Cc1cccs1)NCc1ccc(F)cc1 311074 MDMWKXBMIDPICX-UHFFFAOYSA-N 249.310 2.746 0 50 BFAA O=c1oc2ccccc2n1CCc1ccccc1 383240 NUKWDYNMQFPRIJ-UHFFFAOYSA-N 239.274 2.837 0 50 BFAA CCCCNC(=O)Nc1ccccc1OC 2166572 WWNGDCDLPJBQIT-UHFFFAOYSA-N 222.288 2.617 0 50 BFAA O=C(O)CSCc1ccc(Cl)s1 3416080 ZVDHVAAVVIVDBM-UHFFFAOYSA-N 222.718 2.719 0 50 BFAA in-vitro Cc1noc(C)c1COc1ccc(C=O)cc1 4205185 LMLHECCOGOQRMS-UHFFFAOYSA-N 231.251 2.683 0 50 BFAA in-vitro CCNCc1ccccc1Br 6385350 LIRKZBIKUSDDKN-UHFFFAOYSA-N 214.106 2.559 0 50 BFAA COC(=O)c1ncoc1-c1ccc(Cl)cc1 36473677 MGGPQBAELYVXMR-UHFFFAOYSA-N 237.642 2.782 0 50 BFAA O=C(O)[C@H]1CCc2ccc(Br)cc21 39206436 RMVRCSOJMLGDAG-QMMMGPOBSA-N 241.084 2.564 0 50 BFAA CCc1cc(Br)ccc1C=O 67802606 SQLKXUKAJYHRNP-UHFFFAOYSA-N 213.074 2.824 0 50 BFAA in-vitro C[C@@H]1Oc2ccccc2C[C@@H]1N1CCCCC1 95918238 UVTDDEOHIXVKQH-JSGCOSHPSA-N 231.339 2.865 0 50 BFAA Cc1ccc2nc(-c3cccc(N)c3)[nH]c2n1 162935092 QURTZHHRUVDDGZ-UHFFFAOYSA-N 224.267 2.516 0 50 BFAA in-vitro CC[C@H](C)C(=O)N/N=C1\C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 257364972 SIXOJNKPMKSKOB-ZENMXHDCSA-N 248.370 2.961 0 50 BFAA C[C@@]1(F)CCN(C(=O)Nc2ccsc2)C1 336615141 UHAVIFGHSHJMPY-SNVBAGLBSA-N 228.292 2.714 0 50 BFAA CC(C)C(C)(C)Nc1ccc(C(N)=O)cc1 526058853 VNMRPYUDZYLHAE-UHFFFAOYSA-N 220.316 2.632 0 50 BFAA CCC[C@@H]1CCC(=O)C[C@@H]1N1CCCC1 725358734 BKHHVFCBEGRXQA-YPMHNXCESA-N 209.333 2.620 0 50 BFAA Brc1ccc2c(c1)CNC1CC2C1 1775955992 FLVFAPDOUHVNNE-UHFFFAOYSA-N 238.128 2.798 0 50 BFAA CC(C)[C@H]1CCC[C@@](C(=O)O)(n2ccnc2)C1 1875271528 KPFXAOFNIQCVKL-WCQYABFASA-N 236.315 2.509 0 50 BFAA Cc1cc(F)ccc1-c1cc(CO)cc(CO)c1 2325843312 BBJRAUOFJGMSQP-UHFFFAOYSA-N 246.281 2.786 0 50 BFAA C[C@H](NC(=O)[C@@H]1CC1(C)C)c1ccccc1 50112 WXZNHQPOEMNFDV-JQWIXIFHSA-N 217.312 2.910 0 50 BFAA Cc1occc1C(=O)Nc1ccc(F)cc1 173450 WRVLNAUDMQUHKA-UHFFFAOYSA-N 219.215 2.979 0 50 BFAA O=C(COc1ccccc1)Nc1ccccc1 390000 VDLGLFVMQUNFST-UHFFFAOYSA-N 227.263 2.704 0 50 BFAA CC(=O)Nc1ccc(-c2ccc(N)cc2)cc1 1603229 DZQXBXZZSKPMDV-UHFFFAOYSA-N 226.279 2.894 0 50 BFAA CCCNC(=O)Nc1cc(Cl)ccc1OC 1640222 VFXKQKBPPNZHAR-UHFFFAOYSA-N 242.706 2.880 0 50 BFAA Cc1nn2cc(-c3ccccc3)nc2s1 3901331 NUMSBSZXHFWUTI-UHFFFAOYSA-N 215.281 2.766 0 50 BFAA CCOc1ccc(-c2noc(CC)n2)cc1OC 4821170 YATMQOGQXWCMRY-UHFFFAOYSA-N 248.282 2.706 0 50 BFAA COc1ccc([C@@H](CN)c2ccccc2)cc1 6646691 RZIUXULLPNOGIY-HNNXBMFYSA-N 227.307 2.786 0 50 BFAA CC[C@H](CO)NCc1ccc(C(C)C)cc1 6698082 JMWXZPMIHUNGHB-CQSZACIVSA-N 221.344 2.671 0 50 BFAA CCCNC(=O)Nc1ccccc1SC 6699076 CTSUPGMXUIWSES-UHFFFAOYSA-N 224.329 2.940 0 50 BFAA Cc1cc(Br)ncc1Cl 8700537 MALOBEHFSQICII-UHFFFAOYSA-N 206.470 2.806 0 50 BFAA in-vitro CCOc1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1 13326427 QBARECPEBXJSAF-JOYOIKCWSA-N 219.284 2.680 0 50 BFAA O=CNC(c1ccccc1)c1ccccc1 15771822 KIHAIHODXPSBCW-UHFFFAOYSA-N 211.264 2.522 0 50 BFAA C/C(=C/C(=O)Nc1ccccc1C)N1CCCC1 25725289 WSKXWVYETGQVQQ-QBFSEMIESA-N 244.338 2.933 0 50 BFAA COc1ccc(-c2ccccc2CN)c(OC)c1 38072885 AIIQIWUTFJPZIC-UHFFFAOYSA-N 243.306 2.830 0 50 BFAA Clc1nn([C@@H]2CCCCO2)c2ncccc12 95631280 ZZQKCJGYBPSTKZ-VIFPVBQESA-N 237.690 2.784 0 50 BFAA in-vitro Cc1cncc(CNc2ncccc2F)c1 309706064 OLQTVJCGKLVEIX-UHFFFAOYSA-N 217.247 2.536 0 50 BFAA c1cc2ccnc(NC3CC4(CC4)C3)c2cn1 1875275743 FMKPKVUXAGMFNA-UHFFFAOYSA-N 225.295 2.984 0 50 BFAA C=CC(=O)Nc1cc(C(F)(F)F)ccc1OC 2069391544 UTJYIHSCKVOMGU-UHFFFAOYSA-N 245.200 2.839 0 50 BFAA CC[C@@H](N)C(=O)c1c(C)cc(C)cc1C 210843 DGPHFSCIUAEVIN-LLVKDONJSA-N 205.301 2.532 0 50 BFAA CC(=O)c1ccc2c(c1)c1c(n2C)C(=O)CCC1 281716 RDCZHHUQSLWQMN-UHFFFAOYSA-N 241.290 2.900 0 50 BFAA c1ccc2[nH]c(CN3CCCCC3)nc2c1 360585 VBHJBDZRUQCCBW-UHFFFAOYSA-N 215.300 2.549 0 50 BFAA Cc1ccc(N)c([C@@H](O)c2ccccc2)c1 362970 RFGHBTFPMINONZ-AWEZNQCLSA-N 213.280 2.659 0 50 BFAA in-vitro Cc1cc(O[C@H](C)C(=O)O)ccc1Cl 1019010 DRKJHOSTQZAYFT-SSDOTTSWSA-N 214.648 2.500 0 50 BFAA in-vitro Cc1cc(O)cc(C)c1NC(=O)c1ccccn1 2568735 KXXSODMBJQNMLQ-UHFFFAOYSA-N 242.278 2.656 0 50 BFAA CC(=O)N1CCO[C@H]1C[C@H](C)CCC=C(C)C 4026599 RKYXURFVIOUABL-OCCSQVGLSA-N 239.359 2.964 0 50 BFAA biogenic c1ccc2c(c1)ncn2Cn1cnc2ccccc21 5224880 ZGHDJIGDCZQMGS-UHFFFAOYSA-N 248.289 2.892 0 50 BFAA CC[C@H](C)NC(=O)Nc1cccc(F)c1 6700039 YBPXZYQJDTZCLD-QMMMGPOBSA-N 210.252 2.746 0 50 BFAA CC1(C)C[C@](Cc2ccccc2)(C(=O)O)CCO1 8462899 KLYLQAGPUFFWHE-HNNXBMFYSA-N 248.322 2.889 0 50 BFAA biogenic Cc1ccccc1CN1C[C@H](C)O[C@H](C)C1 14194847 YBASFLNAHCRHIM-BETUJISGSA-N 219.328 2.604 0 50 BFAA CCOCCOc1ccccc1Br 35085913 HPRHZTWLBRRHCF-UHFFFAOYSA-N 245.116 2.864 0 50 BFAA NCc1cc(Br)ccc1Cl 36533198 PCLLJCFJFOBGDE-UHFFFAOYSA-N 220.497 2.561 0 50 BFAA in-vitro Oc1ccc2c(c1)CCc1cc(O)cc(O)c1-2 59588429 FZQKVXUXKVNUBG-UHFFFAOYSA-N 228.247 2.569 0 50 BFAA biogenic,in-vitro Cc1onc(-c2ccccc2)c1[C@H](C)O 71789947 DAQOOSLMUWKCQM-QMMMGPOBSA-N 203.241 2.703 0 50 BFAA in-vitro COc1cc(F)c(C(F)(F)F)c(F)c1 85650644 DDQXMVYPCHPCDD-UHFFFAOYSA-N 212.117 2.992 0 50 BFAA Fc1ccc(OCc2ccccc2)cn1 113148921 OVAGMYDTEQUFKK-UHFFFAOYSA-N 203.216 2.800 0 50 BFAA in-vitro CC(C)(F)c1nc(Cc2ccccc2)no1 132451046 KQBOUEAQLFQEPL-UHFFFAOYSA-N 220.247 2.865 0 50 BFAA C[C@H](c1cccs1)N(C)CCc1cncn1C 253429614 NWKODQQICZYGKU-LLVKDONJSA-N 249.383 2.717 0 50 BFAA Cn1nc(-c2cc3ccccc3s2)ccc1=O 426465120 HAGRYNMAXSLXBM-UHFFFAOYSA-N 242.303 2.662 0 50 BFAA c1ccc(CNCC[C@@H]2C[C@H]3CC[C@H]2O3)cc1 459688960 IJLIGCWJBRDRGU-RBSFLKMASA-N 231.339 2.734 0 50 BFAA C=CC(=O)NCc1ccc(C)c2ccccc12 585133988 WKUHIQKUJYCMAI-UHFFFAOYSA-N 225.291 2.950 0 50 BFAA C[C@H](ONC(=O)[C@@H]1C=CCCC1)c1ccncc1 1875298155 PQAYWBDGCJQVKZ-WCQYABFASA-N 246.310 2.547 0 50 BFAA Fc1ccc2c(c1-c1ccncc1)OCO2 1875339412 IVUCASINTPDRNY-UHFFFAOYSA-N 217.199 2.616 0 50 BFAA COc1ccccc1/C=C/C(=O)NC1CCCC1 149592 PQUFKPLTJWOYLE-ZHACJKMWSA-N 245.322 2.767 0 50 BFAA O=c1c(O)c(-c2ccccc2)[nH]c2ccccc12 169259 CVNJPJCBBHOAGM-UHFFFAOYSA-N 237.258 2.901 0 50 BFAA CC(C)(C)c1cc(C(=O)O)n(-c2ccccc2)n1 170414 JYAMNOJMPNSKGL-UHFFFAOYSA-N 244.294 2.868 0 50 BFAA O=C(O)c1cc(Cl)c2ccccc2c1O 4014517 XRWGZDGUXYNIOS-UHFFFAOYSA-N 222.627 2.897 0 50 BFAA in-vitro CN1C[C@H]2CCCO[C@@H]2c2ccccc21 5328916 QZIRJZYDWHZQFQ-MFKMUULPSA-N 203.285 2.604 0 50 BFAA Cc1cc(=O)c2ccc(C(F)(F)F)cc2[nH]1 8700578 IIABTAZQWRTZHG-UHFFFAOYSA-N 227.185 2.855 0 50 BFAA in-vitro c1ccc(CNCC2CCCCC2)nc1 13718549 GPYJNAYQQOJUPB-UHFFFAOYSA-N 204.317 2.752 0 50 BFAA COc1cccc(-c2ccnc(Cl)n2)c1 15021342 QGUFGKFTAPDKHO-UHFFFAOYSA-N 220.659 2.806 0 50 BFAA in-vitro Cc1ccc(CC(=O)Nc2cccnc2)cc1C 16625202 PRDAHHIVOOBKDR-UHFFFAOYSA-N 240.306 2.880 0 50 BFAA C[C@H]1CN(CCCc2ccccc2)C[C@@H](C)O1 16663094 OYZFWSZQGOHONP-OKILXGFUSA-N 233.355 2.728 0 50 BFAA CC(C)(C)OC(=O)N1CCc2c(N)cccc2C1 19721338 SISNTWMRMJDEFB-UHFFFAOYSA-N 248.326 2.562 0 50 BFAA NC(=O)c1ccc(-c2cccc(Cl)c2)o1 20136239 AQEWVBMTXAOMMP-UHFFFAOYSA-N 221.643 2.699 0 50 BFAA O=C(O)c1cc(-c2cccc(Cl)c2)on1 20283765 MSBRAMMMTSCNGV-UHFFFAOYSA-N 223.615 2.693 0 50 BFAA in-vitro Cc1ccsc1CN1C[C@H](C)O[C@@H](C)C1 23115292 MYQBJXAVESBUQC-QWRGUYRKSA-N 225.357 2.666 0 50 BFAA C[C@H]1CN(Cc2cc(F)ccc2F)C[C@H](C)O1 23280380 QKXZECVENBQXPC-UWVGGRQHSA-N 241.281 2.574 0 50 BFAA C[C@@H](O)CCc1nc2cc(Cl)ccc2[nH]1 26462087 ANEHHLDOZYEWQV-SSDOTTSWSA-N 224.691 2.530 0 50 BFAA Nc1nc2cc(Br)cc(Cl)c2o1 52066071 WKSJMJXQUPOKLW-UHFFFAOYSA-N 247.479 2.826 0 50 BFAA in-vitro COC(=O)c1ccc2nc(Cl)ccc2c1 71791024 UOUBEKSUNCCLDY-UHFFFAOYSA-N 221.643 2.675 0 50 BFAA COC(=O)c1nccnc1-c1ccc(Cl)cc1 90411153 HAGPLXHPHTWLHI-UHFFFAOYSA-N 248.669 2.584 0 50 BFAA in-vitro COC(=O)c1ccc(N2CCCC2)c(Cl)c1 90513328 UZQJIFFWGPGZNG-UHFFFAOYSA-N 239.702 2.727 0 50 BFAA in-vitro Cc1nc(Br)ccc1OC(C)C 144365855 WNPJAXOQIIQTOM-UHFFFAOYSA-N 230.105 2.940 0 50 BFAA CC(C)[C@@H](C)CNC(=O)c1ccc2c(c1)NCC2 228550439 QHDMUOSIXHHUDS-NSHDSACASA-N 246.354 2.677 0 50 BFAA O[C@@H](C[C@@H]1CCCN1CC1CC1)c1ccco1 268641319 DPLWAIZFJUTRQC-STQMWFEESA-N 235.327 2.578 0 50 BFAA O=C(NC[C@@H]1CC=CCC1)C1CC(F)(F)C1 336168003 DBDHOFGBMCUZGL-SECBINFHSA-N 229.270 2.504 0 50 BFAA Cc1cc2cc(C(=O)N3CCC3)c(Cl)cc2[nH]1 2325807530 AQWXSDPFUDCJML-UHFFFAOYSA-N 248.713 2.976 0 50 BFAA O=C(Nc1ncc(Cl)cc1O)c1ccccc1 2325816030 HEGOCOBGEFIRLH-UHFFFAOYSA-N 248.669 2.693 0 50 BFAA Fc1ccc(NC(=S)N2CCCC2)cc1 46249 RSDGTYCVRPYQMS-UHFFFAOYSA-N 224.304 2.618 0 50 BFAA O=c1c(Br)coc2ccc(F)cc12 57793 KASZNDJKYQAXNZ-UHFFFAOYSA-N 243.031 2.695 0 50 BFAA biogenic,in-vitro Cc1cc(=O)oc2c1c(C)nn2-c1ccccc1 91326 BCRIECZRUAGVHD-UHFFFAOYSA-N 240.262 2.596 0 50 BFAA CC1(C)C(C(=O)NCc2ccco2)C1(C)C 281946 OWQBKSNEDAEYBI-UHFFFAOYSA-N 221.300 2.578 0 50 BFAA COC(=O)c1ccc(COc2ccc(C)cc2)o1 373377 LWCFKPDVOPOJKC-UHFFFAOYSA-N 246.262 2.954 0 50 BFAA CNC(=O)CCSc1ccc(Cl)cc1 379890 MCPNLTIEDNMVKR-UHFFFAOYSA-N 229.732 2.568 0 50 BFAA Cc1ccc2[nH]cc(CCNC(=O)C(C)C)c2c1 2438607 MAZJSMOVKHCDBW-UHFFFAOYSA-N 244.338 2.791 0 50 BFAA COc1ccc(-c2cc(N)[nH]n2)c2ccccc12 4234687 GZRWNLFQKJANRB-UHFFFAOYSA-N 239.278 2.821 0 50 BFAA in-vitro CCCCN(C)Cc1cccc(OC)c1OC 4690331 WHMCVCGVQDFCGE-UHFFFAOYSA-N 237.343 2.936 0 50 BFAA Cc1cccc(NC(=O)N2CCCC2)c1C 6726896 BOWVVUNPUMSTEN-UHFFFAOYSA-N 218.300 2.931 0 50 BFAA COc1cc(CNC(C)C)cc(Cl)c1OC 10436111 KNNJMEWBCRWTDI-UHFFFAOYSA-N 243.734 2.855 0 50 BFAA CCOC(=O)c1ccsc1Br 11920200 PDYDQPWWVZTVQD-UHFFFAOYSA-N 235.102 2.687 0 50 BFAA CNc1cc(Cl)nc(-c2ccccc2)n1 14007524 WWDBWADSTGHCMG-UHFFFAOYSA-N 219.675 2.839 0 50 BFAA O=C(Nc1ccc(F)cc1)c1cccc(O)c1 19839541 HNEJDARAUWWGIN-UHFFFAOYSA-N 231.226 2.784 0 50 BFAA in-vitro COc1cc(NCc2ccccn2)cc(OC)c1 19909762 RWUQPWFKPIVGED-UHFFFAOYSA-N 244.294 2.711 0 50 BFAA CC(=O)c1c[nH]c2ncc(Br)cc12 40539547 AYSQNMFURHMHBB-UHFFFAOYSA-N 239.072 2.528 0 50 BFAA CC(=O)c1c(O)cccc1C(F)(F)F 204446461 ZKQUZJANRPHHHK-UHFFFAOYSA-N 204.147 2.614 0 50 BFAA C[C@H]1CC[C@@H](CN(C#N)c2ccc(F)cc2)O1 239672664 BUOWBBKAROAOOG-GWCFXTLKSA-N 234.274 2.681 0 50 BFAA C[C@@H]1C[C@@H]1C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 248535670 YREDYQSOQHLZGZ-NLMKBYRWSA-N 221.344 2.583 0 50 BFAA O=C(Nc1nccs1)[C@H]1CCC[C@@H](F)C1 335106668 BTXIJIZEWXAKDT-JGVFFNPUSA-N 228.292 2.610 0 50 BFAA CC(C)(C)c1noc(-c2cnn(CC3CC3)c2)n1 632098626 IVUAHVSYSZUHHF-UHFFFAOYSA-N 246.314 2.641 0 50 BFAA c1cnc2nccc(NC[C@H]3CCCCO3)c2c1 718936549 HKUYWFKZKHDPKA-LLVKDONJSA-N 243.310 2.611 0 50 BFAA C[C@H]1CCC(=O)C[C@@H]1N1CCCCCC1 725363022 XYTMNSGSLKSQCC-AAEUAGOBSA-N 209.333 2.620 0 50 BFAA Cc1ccc(F)cc1C=Cc1nccc(O)n1 1857532224 LBYNWTPYSANUBA-UHFFFAOYSA-N 230.242 2.800 0 50 BFAA C=CC(=O)Nc1ccccc1-c1nc(C)c(C)[nH]1 1875368422 PTNKGHKQAYKCGX-UHFFFAOYSA-N 241.294 2.818 0 50 BFAA Cc1ccc(NC(=O)N(C)C)cc1Cl 69747 JXCGFZXSOMJFOA-UHFFFAOYSA-N 212.680 2.742 0 50 BFAA biogenic,in-vitro O=C(O)c1cccnc1Oc1ccc(F)cc1 128980 SDZUYDOXBXHDCE-UHFFFAOYSA-N 233.198 2.711 0 50 BFAA in-vitro C=CS(=O)(=O)c1ccc(C(C)(C)C)cc1 449294 XUCGDKWYZOHBKB-UHFFFAOYSA-N 224.325 2.901 0 50 BFAA in-vitro COCc1nc2ccccc2n1C(C)C 617565 YJVPXMRHOMDBQA-UHFFFAOYSA-N 204.273 2.764 0 50 BFAA CCOCCOc1nc2ccccc2s1 2493904 STAVHJBEQNGQRO-UHFFFAOYSA-N 223.297 2.712 0 50 BFAA O=C(O)CCc1c(O)ccc2ccccc12 8019406 IAXRTDFEUBNMRV-UHFFFAOYSA-N 216.236 2.563 0 50 BFAA COc1ccc(Oc2ccc(CO)cc2)cc1 20435416 SIMWZMPQYDJHPV-UHFFFAOYSA-N 230.263 2.980 0 50 BFAA in-vitro CN(CCc1ccccc1)Cc1ccncc1 23281534 WJRJNJODLANZRA-UHFFFAOYSA-N 226.323 2.756 0 50 BFAA O=C(O)c1ccc2ccc(C(F)(F)F)cc2n1 26474790 UJSASPCHJPRAQX-UHFFFAOYSA-N 241.168 2.952 0 50 BFAA in-vitro C[C@H](c1ccc(-c2ccc(N)nc2)cc1)N(C)C 32576463 GZTMSUWFLGRUQP-LLVKDONJSA-N 241.338 2.953 0 50 BFAA CC1(CC[C@H]2CC(=O)CC2(C)C)OCCO1 45071726 JBORCXOOPWLMIP-JTQLQIEISA-N 226.316 2.535 0 50 BFAA CCCCNC(=O)[C@H](C)Oc1cccc(C)c1 47464434 NGHSBNQFRBFELQ-LBPRGKRZSA-N 235.327 2.679 0 50 BFAA CCN(CC)C[C@@H](OC)c1ccccc1 71773032 JYWHUKMCKNVATM-CYBMUJFWSA-N 207.317 2.716 0 50 BFAA O=c1cc(O)c2ccccc2n1-c1ccccc1 100164258 KZPBFZJUQUXVAO-UHFFFAOYSA-N 237.258 2.696 0 50 BFAA in-vitro CC1(c2cccc(Br)c2)COC1 142662719 BYQATFJUFANHBN-UHFFFAOYSA-N 227.101 2.737 0 50 BFAA in-vitro CC1(C)CCC[C@@]2(C)C(CO)=C[C@@H]1[C@@H]2CCO 166512769 RYUMBZJZMMNHTP-GUTXKFCHSA-N 238.371 2.750 0 50 BFAA biogenic COC(=O)[C@H](c1ccccc1)C(F)(F)F 196695030 KJBFYUNCVGESFQ-QMMMGPOBSA-N 218.174 2.506 0 50 BFAA CCC(=O)O[C@@H]1C[C@H]2C[C@H]1[C@@H]1CC=C[C@@H]21 212542460 BLBJUGKATXCWET-CSYMLDBXSA-N 206.285 2.540 0 50 BFAA CC(C)[C@@H]1OC[C@H]2Cc3ccccc3[C@H]2O1 245377622 NOBNLHDWQDMAEA-KWCYVHTRSA-N 218.296 2.929 0 50 BFAA biogenic C[C@@H]1C[C@@H]1C(=O)N(C)[C@H]1CCc2ccccc21 249233133 KNCUBBURLBIXPJ-SWHYSGLUSA-N 229.323 2.788 0 50 BFAA COc1ccc(C)nc1-c1ccc(N(C)C)nc1 426473720 WWFJSJMXNHRYFP-UHFFFAOYSA-N 243.310 2.527 0 50 BFAA Cc1cc(=O)c2ccc(Br)cc2o1 575444883 HIXGFNGYVIUKGP-UHFFFAOYSA-N 239.068 2.864 0 50 BFAA CC(C)(C)OC(=O)N1CCCC[C@@H]2C[C@@H]21 669378649 LBMYDKALZQLSEU-ZJUUUORDSA-N 211.305 2.796 0 50 BFAA Cc1cc(-c2cccc3nc(O)[nH]c23)ccc1O 1875246484 JCPBUXWAIHJXCB-UHFFFAOYSA-N 240.262 2.950 0 50 BFAA Cc1cc(-c2cnc3cnccn23)ccc1F 2100555374 SUHZVNDZXCGJTA-UHFFFAOYSA-N 227.242 2.844 0 50 BFAA COc1cc(-c2ocnc2CC2CC2)ccn1 2356153061 PBPYDDZRMKVKDK-UHFFFAOYSA-N 230.267 2.698 0 50 BFAA C[C@H](Oc1ccccc1)C(=O)N1CCCCCC1 30746 VWAAHLGLSXESJF-ZDUSSCGKSA-N 247.338 2.857 0 50 BFAA O=C(c1cccc(Cl)c1)N1CCCC1 126087 UALNNNIKSZWNLM-UHFFFAOYSA-N 209.676 2.576 0 50 BFAA Cc1cc(N)ccc1NC(=O)c1ccccc1 259730 NBDOSEUNJLCDLN-UHFFFAOYSA-N 226.279 2.830 0 50 BFAA in-vitro C[C@H]1SC2(OC1=O)C1CC3CC(C1)CC2C3 264355 PYQRVDCYNOYRCX-GWEYIZNRSA-N 238.352 2.817 0 50 BFAA Cc1cccc(C(=O)Nc2nc(C)cc(C)n2)c1 321513 DURXHCWSWUSALT-UHFFFAOYSA-N 241.294 2.654 0 50 BFAA CCN(CC)C(=O)c1ccc(Br)o1 524791 RHIMTYOEEOGBLQ-UHFFFAOYSA-N 246.104 2.524 0 50 BFAA CC(C)Oc1ccc2cc(C(=O)O)[nH]c2c1 4234962 BRVWOKZJVXUQPK-UHFFFAOYSA-N 219.240 2.653 0 50 BFAA in-vitro CC(=O)CCc1c(C)[nH]c2c(C)cccc2c1=O 5687276 CEUSSAZWZBNLBN-UHFFFAOYSA-N 243.306 2.667 0 50 BFAA biogenic COc1cccc(CNC(C)(C)C)c1OC 6704510 IUTHBFTWEYAKGK-UHFFFAOYSA-N 223.316 2.592 0 50 BFAA CC(C)(C)OC(=O)NCc1ccnc2[nH]ccc12 14401085 HCQHANLFBAKUFB-UHFFFAOYSA-N 247.298 2.588 0 50 BFAA CC(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1 20729336 SHHTZAIHGFNPTK-UHFFFAOYSA-N 248.713 2.726 0 50 BFAA biogenic,in-vitro CCCCc1nc(N)nc2c1C(=O)CC(C)(C)C2 23634130 XBGWNXVJTNMJRP-UHFFFAOYSA-N 247.342 2.557 0 50 BFAA CN1CCC(N(C)CCCC2CCCC2)CC1 32547841 IHKCBNHARDKNMT-UHFFFAOYSA-N 238.419 2.983 0 50 BFAA Oc1cc(Br)ccc1-c1cc[nH]n1 44672059 WZIZGAUXNYGZML-UHFFFAOYSA-N 239.072 2.545 0 50 BFAA O=Cc1cccc(Br)c1Cl 71792960 ZDICHAGDCMMAKV-UHFFFAOYSA-N 219.465 2.915 0 50 BFAA O=C(c1cccs1)[C@@H](O)c1ccccc1 95908463 YFZMKLUEORCQRT-NSHDSACASA-N 218.277 2.664 0 50 BFAA CC(C)=C1C(=O)NC/C1=C/c1ccccc1 102318515 CEVYOTZMISINKD-WQLSENKSSA-N 213.280 2.536 0 50 BFAA O=C(NCCC1=CCCCC1)Nc1ccon1 180508247 ZRLJNRSQOPRVFQ-UHFFFAOYSA-N 235.287 2.687 0 50 BFAA OCC(F)(F)c1ccccc1Br 257822867 FIYINHRBZIWYNZ-UHFFFAOYSA-N 237.043 2.533 0 50 BFAA CCn1ccc(CN2C[C@H]3CC(C)=CC[C@H]3C2)n1 1076046544 GKZYNBQSJOQDRQ-UONOGXRCSA-N 245.370 2.691 0 50 BFAA c1cn(C2CC2)c(-c2ccc3c(c2)OCCO3)n1 1875241799 HVTVZUSRLGMKKU-UHFFFAOYSA-N 242.278 2.656 0 50 BFAA Cc1cc2n[nH]cc2cc1OCC1CC1 2325777593 NAXJPBYWPQKLNG-UHFFFAOYSA-N 202.257 2.660 0 50 BFAA Cc1nc(SCCC(=O)O)c2ccccc2n1 37804 BWOVZKBKWYSBAR-UHFFFAOYSA-N 248.307 2.505 0 50 BFAA aggregator C[C@@H](NC(=O)[C@@H]1CC1(C)C)c1ccccc1 50113 WXZNHQPOEMNFDV-PWSUYJOCSA-N 217.312 2.910 0 50 BFAA CON(C)C(=O)Nc1ccc(C)c(Cl)c1 401894 OXLNSNBYZCMIPL-UHFFFAOYSA-N 228.679 2.674 0 50 BFAA OCc1cc(Br)ccc1Cl 403429 SCHBQPIVMBDOQF-UHFFFAOYSA-N 221.481 2.595 0 50 BFAA in-vitro Cc1ccc(C)c(C(=O)N2CCCC2)c1 514811 NQDKPFMAWWWUOV-UHFFFAOYSA-N 203.285 2.539 0 50 BFAA Cc1cc(F)ccc1NC(=O)c1ccncc1 1053732 KKAUTHOQSQZBDF-UHFFFAOYSA-N 230.242 2.781 0 50 BFAA CC(C)(C)OC(=O)C(Cl)(Cl)Cl 2162097 YROVKSCEXQTHTJ-UHFFFAOYSA-N 219.495 2.698 0 50 BFAA O=C(O)Cc1ccc(Cl)c(C(F)(F)F)c1 2528394 AZBFOENSKLAYKT-UHFFFAOYSA-N 238.592 2.986 0 50 BFAA Cc1cc(C(F)(F)Cl)c2c(C)nn(C)c2n1 2740486 QADPXJMMNAIVOD-UHFFFAOYSA-N 245.660 2.873 0 50 BFAA CCc1ccc2cc(C(=O)OC)[nH]c2c1 4235043 YATMXAJZDDOCOS-UHFFFAOYSA-N 203.241 2.517 0 50 BFAA in-vitro COc1ccccc1CN1CCC(C)CC1 4691441 KTZSYMHGXWYJFL-UHFFFAOYSA-N 219.328 2.927 0 50 BFAA C[C@H](N)C(=O)Nc1ccccc1-c1ccccc1 4721780 FJDNEQGQOTXTEC-NSHDSACASA-N 240.306 2.639 0 50 BFAA CSc1nc(Cl)c2c(n1)CCCC2 5721414 XDQBZDZLOKZGBN-UHFFFAOYSA-N 214.721 2.731 0 50 BFAA Cc1ccc(Nc2ncccc2C(=O)O)c(F)c1 13090638 HMFOYABWTCJSDE-UHFFFAOYSA-N 246.241 2.971 0 50 BFAA COc1cc(Br)cnc1Cl 14400986 GFJMOZYIDADKLJ-UHFFFAOYSA-N 222.469 2.506 0 50 BFAA in-vitro FC(F)(F)Oc1ccc2nccnc2c1 40456612 NDNCFTHPNPDQPF-UHFFFAOYSA-N 214.146 2.528 0 50 BFAA in-vitro C[C@@H]1[C@]23CC=CC[C@]2(CCCC3)CS1(=O)=O 45027907 ZTXAGCGGJCSEOI-FRRDWIJNSA-N 240.368 2.700 0 50 BFAA CC(=O)c1cccc(-n2cnnc2C2CCC2)c1 67756981 BHZOSCQYDSDDGQ-UHFFFAOYSA-N 241.294 2.737 0 50 BFAA Cc1cccc(-c2nc([C@@H]3CCOC3)no2)c1F 96147929 CVERZNUVWADDEY-SECBINFHSA-N 248.257 2.688 0 50 BFAA O=Cc1ccc(N2CCC(F)(F)CC2)c(F)c1 169725239 ILLKYIQRQCJNRE-UHFFFAOYSA-N 243.228 2.874 0 50 BFAA CC(=O)Nc1cccc(NC(C)(C)C)c1 201787458 FCBSGHXKCNFUCE-UHFFFAOYSA-N 206.289 2.855 0 50 BFAA CCCC[C@H]1C=CCN1C(=O)c1ncoc1C 216252643 JWJMVEWAOSPAEO-NSHDSACASA-N 234.299 2.554 0 50 BFAA Cc1ccc(C(=O)N(C)c2ccc(C)cn2)cc1 336580587 INWGBHGDSJZYSM-UHFFFAOYSA-N 240.306 2.975 0 50 BFAA COc1c(Cl)cc(Cl)c(CO)c1F 725239890 BHLPEAFFISPOAH-UHFFFAOYSA-N 225.046 2.633 0 50 BFAA C[C@H](C(=O)O)c1ccc(C[C@H]2CCCC2=O)cc1 435 YMBXTVYHTMGZDW-GXFFZTMASA-N 246.306 2.786 0 50 BFAA world CC(C)(C)OC(=O)Nc1ccccc1N 39322 KCZFBLNQOSFGSH-UHFFFAOYSA-N 208.261 2.616 0 50 BFAA in-vitro Nc1ccc(Cl)cc1OC(F)(F)F 165395 UCFTYLMKCJPWBX-UHFFFAOYSA-N 211.570 2.821 0 50 BFAA in-vitro O=Cc1ccc(OCc2ccccc2)c(O)c1 2513907 HUNGEAFDVLSPAM-UHFFFAOYSA-N 228.247 2.784 0 50 BFAA in-vitro CNc1ncc(C(F)(F)F)cc1Cl 19230095 XWCGPHUZEGMFAI-UHFFFAOYSA-N 210.586 2.796 0 50 BFAA in-vitro CCN(C/C=C/c1ccccc1)CCN(C)C 19633816 RFGPTCURESNCAW-DHZHZOJOSA-N 232.371 2.583 0 50 BFAA COc1ccc(-c2n[nH]c(-c3ccco3)n2)cc1 32501663 PBRYUSKDCAHYHS-UHFFFAOYSA-N 241.250 2.740 0 50 BFAA Fc1cccc(-c2nsc(Cl)n2)c1 43220552 MCYDZBILUHBASQ-UHFFFAOYSA-N 214.652 2.998 0 50 BFAA CC1(C)Cc2nc(C(C)(C)C)ncc2[C@@H](N)C1 50094267 NFOGQDOVCSGZTB-JTQLQIEISA-N 233.359 2.746 0 50 BFAA O=C(O)c1cc2c(F)c(Cl)ccc2[nH]1 61717415 GOPLNYXPDXOWSO-UHFFFAOYSA-N 213.595 2.659 0 50 BFAA in-vitro Nc1nccc2cccc(Br)c12 95616320 VEHRKMAFAWPXEB-UHFFFAOYSA-N 223.073 2.580 0 50 BFAA in-vitro O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1nccs1 225155309 DTTXXLIMRVHLFD-LPEHRKFASA-N 236.340 2.908 0 50 BFAA CC(C)C(=O)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 250685198 DOXNXXJZUSALRE-NJMOYASZSA-N 221.344 2.583 0 50 BFAA c1cnc(NCCCOC2CCCCC2)cn1 301087637 XWQXNVKQZLMQCX-UHFFFAOYSA-N 235.331 2.628 0 50 BFAA CCOc1cc(Cl)cnc1Br 307021950 UOEURPRKPLXYDK-UHFFFAOYSA-N 236.496 2.896 0 50 BFAA C[C@H](NC1CCSCC1)C(C)(F)F 307281446 JWWGKEXXMXLFLF-ZETCQYMHSA-N 209.305 2.515 0 50 BFAA CC1=CCCN(c2ncc(C(F)F)cn2)C1 334651648 CNEUUPPRGNCTJQ-UHFFFAOYSA-N 225.242 2.571 0 50 BFAA CN(C(=O)CC1CC1)c1ccc2ccccc2n1 335803731 VXGNEYKXNDUTBO-UHFFFAOYSA-N 240.306 2.998 0 50 BFAA FC1(F)CC(CSc2cccnn2)C1 336269829 PYTJVPLLONQWCN-UHFFFAOYSA-N 216.256 2.614 0 50 BFAA O=C(Nc1cccc2c[nH]nc12)[C@@H]1[C@H]2CCC[C@H]21 408334545 PCEHNKLUKOGGOF-IAZYJMLFSA-N 241.294 2.548 0 50 BFAA C[C@H](CC1CCOCC1)NCc1ccccc1 408513128 CEGXTALLDDLIOH-CYBMUJFWSA-N 233.355 2.981 0 50 BFAA Cc1cc(-c2c(C)nn(C)c2C(=O)O)ccc1F 534585435 XSCJYLVFBCRFON-UHFFFAOYSA-N 248.257 2.541 0 50 BFAA CC[C@H](C)c1nnc2n1CCCCCC2 630952070 VRUMXVDGOZEQRR-JTQLQIEISA-N 207.321 2.908 0 50 BFAA C=CC(=O)N[C@H](C)C1CCC(F)(F)CC1 690870307 VOVSTIUXAGLDLV-MRVPVSSYSA-N 217.259 2.503 0 50 BFAA Cc1ccc2n[nH]cc2c1[C@@H]1CCCCN1 757212140 MDSWSHGIXXFOOY-LBPRGKRZSA-N 215.300 2.686 0 50 BFAA C=CC(=O)Nc1ccc(C)c(N2CCCC2)c1 1120553612 GMALAPCRTMIRQD-UHFFFAOYSA-N 230.311 2.720 0 50 BFAA N=c1ncc(C(=C(F)F)c2ccccc2)c[nH]1 1875339759 XJUVMCKUBOBMIM-UHFFFAOYSA-N 233.221 2.545 0 50 BFAA O=c1oc(-c2ccccc2)nc2ccccc12 94053 HTTLBYITFHMYFK-UHFFFAOYSA-N 223.231 2.855 0 50 BFAA CC[C@]1(C)C[C@@H](c2csc(N)n2)CCO1 207016 AECHTYJNUUZQBK-GZMMTYOYSA-N 226.345 2.788 0 50 BFAA biogenic Fc1cccc(Cl)c1CNC[C@@H]1CCCO1 360096 OABLOMURHFGCKX-VIFPVBQESA-N 243.709 2.748 0 50 BFAA CC(C)[C@@H](C)NC(=O)NC1CCCCC1 388949 XWSLHQWUWZWPIP-SNVBAGLBSA-N 212.337 2.663 0 50 BFAA COc1ccc(C(C)(C)CCC(=O)O)cc1 391558 BWLDPDCVWVDILN-UHFFFAOYSA-N 222.284 2.838 0 50 BFAA COC(=O)c1ccc(-c2ccccc2N)cc1 1258204 GQXOBDOHRQGRFG-UHFFFAOYSA-N 227.263 2.722 0 50 BFAA CCOC(=O)/C=C/c1ccc(OCC)cc1 1695489 XFRWZVXVZIQXFI-JXMROGBWSA-N 220.268 2.662 0 50 BFAA CCCCc1ccc(C(=O)O)c(C(=O)O)c1C 2468882 QHRWTZTUXIOXMP-UHFFFAOYSA-N 236.267 2.734 0 50 BFAA CCOc1cc(Cl)c(C=O)cc1OCC 2776145 YFGKNITXEMJJPS-UHFFFAOYSA-N 228.675 2.950 0 50 BFAA in-vitro CCCOc1ccc(CSc2ncn[nH]2)cc1 4257727 NNGWZXZAMZZUFL-UHFFFAOYSA-N 249.339 2.886 0 50 BFAA NCc1cc2cc(Br)ccc2o1 4277339 UOODONZLFBRQNV-UHFFFAOYSA-N 226.073 2.654 0 50 BFAA Fc1ccc(NC[C@H]2CCCN2)cc1Cl 12404714 BENQUZFIBNHXLZ-SECBINFHSA-N 228.698 2.643 0 50 BFAA in-vitro CCOc1ccccc1OC/C=C/CN(C)C 16622406 JEYHJCUPAUJMGZ-BQYQJAHWSA-N 235.327 2.582 0 50 BFAA Cc1nc(C(=O)NC2CCCCCCC2)co1 22538470 VCNHAQZSDYPPHS-UHFFFAOYSA-N 236.315 2.826 0 50 BFAA Nc1ncc(-c2ccc(F)c(Cl)c2)cn1 32498417 OHCZOPHNAJHNFZ-UHFFFAOYSA-N 223.638 2.518 0 50 BFAA COCOc1ccc(C)cc1Br 38953448 SJWKLDHXNANXLL-UHFFFAOYSA-N 231.089 2.740 0 50 BFAA COc1cc(Cl)c(Cl)cc1C(=O)O 45957403 WBFXTOLYBVHEHR-UHFFFAOYSA-N 221.039 2.700 0 50 BFAA in-vitro CC(C)(C)OC(=O)NCc1nc2ccccc2[nH]1 54347644 WRAOGDJKTDDORV-UHFFFAOYSA-N 247.298 2.588 0 50 BFAA C[C@H]1NCCc2ccc(Br)cc21 70821253 XACRZPKKWVBSHB-SSDOTTSWSA-N 226.117 2.656 0 50 BFAA O=C(c1ccc[nH]1)N1CCC[C@]2(CC=CCC2)C1 114434789 DCJGBNVBOKZDNH-OAHLLOKOSA-N 244.338 2.977 0 50 BFAA CC1(C)C[C@H]1C(=O)Nc1ccccc1F 130254691 MOZYZLYHBZAWNO-QMMMGPOBSA-N 207.248 2.810 0 50 BFAA O=C(O)[C@@H](Br)CC1CCCCC1 138214313 ZNLYQQHXHRSBBY-QMMMGPOBSA-N 235.121 2.805 0 50 BFAA CC(=O)c1ccc(N[S@@](=O)C(C)(C)C)cc1 216422115 LTUUDSULVPEBNL-INIZCTEOSA-N 239.340 2.763 0 50 BFAA CCOC(=O)[C@H]1CC12CCC(F)(F)CC2 222996441 ZKUILEVFEBZJLG-MRVPVSSYSA-N 218.243 2.765 0 50 BFAA in-vitro C[C@H]1c2cccn2CCN1C(=O)OC1CCCC1 240871447 IKPHJLCBPKVPQH-NSHDSACASA-N 248.326 2.944 0 50 BFAA CC(C)Cn1c(C(=O)O)nc2c(F)cccc21 255188763 LMJUGYKGIZQELN-UHFFFAOYSA-N 236.246 2.530 0 50 BFAA Cc1cnc(NCCCOCC(C)C)nc1C 270670485 FOIITDSKFRRVES-UHFFFAOYSA-N 237.347 2.568 0 50 BFAA FC(F)(F)c1nsc(N2C[C@H]3CC[C@H]2C3)n1 334453235 DERDAIZNIMLZTK-WDSKDSINSA-N 249.261 2.546 0 50 BFAA Cc1ccc([C@H](C)Nc2cc(C#N)ncn2)s1 383423642 ZMMPVAOMSIAIRI-VIFPVBQESA-N 244.323 2.891 0 50 BFAA CC(C)(CO)CSc1cccc(O)c1 585118788 BTFBCTXVCMDRFS-UHFFFAOYSA-N 212.314 2.503 0 50 BFAA CCC(C)(C)NCc1ccnc(F)c1F 675070467 ZIJNYCCPNDZSCV-UHFFFAOYSA-N 214.259 2.638 0 50 BFAA COC1(OC)CC(NCc2ccc(C)c(C)c2)C1 952964642 UYAJCABOHGBZKM-UHFFFAOYSA-N 249.354 2.545 0 50 BFAA O=C1CCc2c1cc(F)c(F)c2Br 1857780775 NZQXNDGAJJULLU-UHFFFAOYSA-N 247.038 2.856 0 50 BFAA c1ccc(-c2ccc(-c3ccccn3)nn2)nc1 41164 KMJAINJBPIBWCL-UHFFFAOYSA-N 234.262 2.601 0 50 BFAA Cc1cc(C)nc(NCCc2ccccc2)n1 150089 FBRQYDODYGIWOR-UHFFFAOYSA-N 227.311 2.748 0 50 BFAA CC[C@]1(C)N(O)C(C)(C)C(c2ccccc2)=[N+]1[O-] 269097 FPNUOBRVESXQMM-AWEZNQCLSA-N 248.326 2.596 0 50 BFAA COc1ccc(N(N)Cc2ccccc2)cc1 294851 GELRGGMHFAHZKK-UHFFFAOYSA-N 228.295 2.576 0 50 BFAA O=c1oc2ccccc2cc1Br 610235 DZCTYFCCOGXULA-UHFFFAOYSA-N 225.041 2.556 0 50 BFAA C1=NN2C(=NC3=C(CCCC3)C23CCCCC3)N1 1240682 PRHZYLHSQPZQPE-UHFFFAOYSA-N 244.342 2.736 0 50 BFAA OCc1ccc(-c2cccc(F)c2)cc1 1258447 OSBNEOSMNIVQEN-UHFFFAOYSA-N 202.228 2.985 0 50 BFAA CC1=CC(C)(C)N2C(=O)C(=O)c3cc(C)cc1c32 1837285 RDLYBUUOPNXVDW-UHFFFAOYSA-N 241.290 2.720 0 50 BFAA biogenic c1ccc2c(CCN3CCCC3)c[nH]c2c1 2019385 CVTZCBLFHNGYDQ-UHFFFAOYSA-N 214.312 2.806 0 50 BFAA O=C1CC(c2ccc(Br)cc2)C1 2525578 FOQRHYVNXUDNKL-UHFFFAOYSA-N 225.085 2.896 0 50 BFAA O=C(O)c1ncoc1-c1ccc(Cl)cc1 2577509 WGPXKQGURSURNU-UHFFFAOYSA-N 223.615 2.693 0 50 BFAA in-vitro C[C@H]1C[C@@H]1C(=O)Nc1nc2c(s1)CCCC2 3294713 VJWYILXDIGYAIS-YUMQZZPRSA-N 236.340 2.616 0 50 BFAA C[C@]1(C(=O)Nc2ccc(Cl)cc2Cl)CO1 3913039 KITMQUMEHMRUPB-SNVBAGLBSA-N 246.093 2.721 0 50 BFAA CC1(C)CC(=O)Nc2ccccc2S1 4336417 CJNGOGZCBDLPPB-UHFFFAOYSA-N 207.298 2.900 0 50 BFAA O=S(=O)(O)c1ccc2oc3ccccc3c2c1 4798293 JANFYPHFIPGYTQ-UHFFFAOYSA-N 248.259 2.833 0 50 BFAA CCOC(=O)[C@H]([C@H](C)CC)n1cccc1 12404602 RGEPVMUUYVYHRJ-MNOVXSKESA-N 209.289 2.638 0 50 BFAA NCCCc1cccc(C(F)(F)F)c1 35321576 JMTLMFBJIQWJPW-UHFFFAOYSA-N 203.207 2.597 0 50 BFAA in-vitro O=NN1C[C@]23CC=CC[C@@]2(CCCC3)C1 101046036 PSFGOJUFEIYFLX-VXGBXAGGSA-N 206.289 2.880 0 50 BFAA Cc1cc2cc(N[C@H]3C[C@H](C)OC3=O)ccc2[nH]1 113308012 DKPSCJGYMCKZKT-ZANVPECISA-N 244.294 2.592 0 50 BFAA COC(=O)[C@@H](C)c1cccc(Br)c1 115309094 IQJQUAGEAURVAU-ZETCQYMHSA-N 243.100 2.726 0 50 BFAA Cc1cccc(NC(=O)N[C@@H]2C=CCCC2)n1 122725538 HYFQKRDUYSRXFF-LLVKDONJSA-N 231.299 2.620 0 50 BFAA Clc1ccc(NC[C@H]2CCC=CO2)nc1 186701102 YAKHZSLLVGQNQT-SNVBAGLBSA-N 224.691 2.840 0 50 BFAA Cc1cccc(-c2noc(C)c2C(=O)O)c1F 384578123 WKYNRGAMAFETDQ-UHFFFAOYSA-N 235.214 2.796 0 50 BFAA O=C(OCCc1cc2ccccc2[nH]1)C1CC1 870629340 WHKHHUAPBIGCOH-UHFFFAOYSA-N 229.279 2.664 0 50 BFAA NCCc1ccc(-c2cccn3ccnc23)cc1 2356135276 WYHLLDRVNAATIW-UHFFFAOYSA-N 237.306 2.503 0 50 BFAA NC(=S)Cc1c(Cl)cccc1Cl 118682 FBAMANMRMUDYNM-UHFFFAOYSA-N 220.124 2.822 0 50 BFAA in-vitro O=C(CCc1ccccc1)NCc1ccccc1 143181 FEOUTXCSJHUHLP-UHFFFAOYSA-N 239.318 2.936 0 50 BFAA O=C(O)c1cc2cc(Br)ccc2o1 151407 QKUWZCOVKRUXKX-UHFFFAOYSA-N 241.040 2.894 0 50 BFAA biogenic,in-vitro Cc1ccccc1CS(=O)(=O)c1ccccc1 409335 PWECXBSVNSKIIN-UHFFFAOYSA-N 246.331 2.969 0 50 BFAA CC[C@H](C)NC(=O)/C=C/c1ccc(C)cc1 475286 OKXKPRVYJURGPX-VMPCVLLUSA-N 217.312 2.923 0 50 BFAA Cc1ccc(Sc2cnc(N)nc2C)cc1 1387386 SBRIMEKGYPIRFX-UHFFFAOYSA-N 231.324 2.827 0 50 BFAA Clc1ccc(Cc2ccccc2)nn1 1391032 LTTLFJNMPWCXRV-UHFFFAOYSA-N 204.660 2.721 0 50 BFAA in-vitro CCCCOC(=O)Cc1ccc(OC)cc1 1615239 DACRGZJKNATRGT-UHFFFAOYSA-N 222.284 2.581 0 50 BFAA Nc1nc(-c2ccc(OC(F)F)cc2)cs1 2584101 CKHGOQGHJICJFZ-UHFFFAOYSA-N 242.250 2.994 0 50 BFAA in-vitro CCc1nc2ccccc2c(C(=O)O)c1C 3885156 DWQIFUQLSDIOAR-UHFFFAOYSA-N 215.252 2.804 0 50 BFAA in-vitro COCCC/N=c1\cc(C)[nH]c2ccc(C)cc12 13042879 KMCCJLXHRDBUOB-UHFFFAOYSA-N 244.338 2.722 0 50 BFAA CC[C@H]1CCCCN1C(=O)NC1CCCC1 13328224 BMTKXFWVCPMIIU-LBPRGKRZSA-N 224.348 2.903 0 50 BFAA COc1ccc(C(=O)NC2CCCC2)cc1C 13945944 QLOQFFSOGJTEJE-UHFFFAOYSA-N 233.311 2.676 0 50 BFAA Nc1cc(C(=O)O)cc(-c2ccccc2)c1 34330402 PJLVKTCJJCTCCZ-UHFFFAOYSA-N 213.236 2.634 0 50 BFAA in-vitro COC(=O)c1cc(Cl)ncc1C(F)(F)F 72265939 NJEVEXBNCLQMAJ-UHFFFAOYSA-N 239.580 2.540 0 50 BFAA in-vitro CCC(C)(C)c1nc(-c2ccc(C)nn2)no1 91706929 DVQBWXHDSZVEGC-UHFFFAOYSA-N 232.287 2.523 0 50 BFAA Cc1ncnc2c(Br)cccc12 95930343 TXSASISPKDGBPU-UHFFFAOYSA-N 223.073 2.701 0 50 BFAA C[C@@H](C(=O)O)N(C)Cc1csc2ccccc12 111312651 JWFBLCKATLCQFO-VIFPVBQESA-N 249.335 2.806 0 50 BFAA CC(C)(C)OC(=O)n1cccc1[Si](C)(C)C 170176886 GRYWMWZQJYZJAB-UHFFFAOYSA-N 239.391 2.817 0 50 BFAA Cc1cc(C)c(C)c(OC(=O)c2cn[nH]c2C)c1 225527923 NPWKLJFBIMZZKX-UHFFFAOYSA-N 244.294 2.863 0 50 BFAA CCC(CC)(CNCC(CC)(CC)OC)OC 238850993 DPHWFNUBYBEPMO-UHFFFAOYSA-N 245.407 2.986 0 50 BFAA CN1CCO[C@@]12CCCC[C@H]2Oc1ccccc1 257356478 IHEOZRCZMDIADV-HUUCEWRRSA-N 247.338 2.666 0 50 BFAA Cc1cc(C(C)(C)C(=O)O)nn1-c1ccccc1 258983541 FBMVOPGODKVPQU-UHFFFAOYSA-N 244.294 2.543 0 50 BFAA COC[C@H]1CCCN(CCc2ccccc2)CC1 449768189 AFGXEQAWOWMBDW-INIZCTEOSA-N 247.382 2.978 0 50 BFAA CC[C@@H]1CCCC[C@@H]1CN[C@@H]1C=C[C@H](CO)C1 585117510 IOULLYRZBDYVFK-GBJTYRQASA-N 237.387 2.729 0 50 BFAA CC1(C)C[N@]2[C@@H](c3ccc(Cl)cc3)[N@]2C1 1857622329 GRLMWLSCQPITMV-UWEBFBLFSA-N 222.719 2.911 0 50 BFAA OCc1ccccc1-c1ccc2nsnc2c1 1875340057 JJXWJFXWQGMHFQ-UHFFFAOYSA-N 242.303 2.851 0 50 BFAA Cc1ccc(N)c(C(=O)c2ccccc2)c1 261972 MZPDVYDLHYUTQS-UHFFFAOYSA-N 211.264 2.808 0 50 BFAA in-vitro Cc1cccc2c(C(N)=O)c3c(nc12)CCCC3 390042 SRTDEQMMJUEGCP-UHFFFAOYSA-N 240.306 2.521 0 50 BFAA CCC(C)(C)NC(=O)Cc1ccccc1OC 620392 YOCOMTPKWODWGS-UHFFFAOYSA-N 235.327 2.543 0 50 BFAA Cn1cc([C@H](O)C(F)(F)F)c2ccccc21 1399169 ARPIRHUPDYIDHC-JTQLQIEISA-N 229.201 2.774 0 50 BFAA Nc1nn(Cc2ccc(Cl)cc2)cc1Cl 2578494 ZFZPHVSIYOKUAK-UHFFFAOYSA-N 242.109 2.820 0 50 BFAA in-vitro CCCC(=O)N[C@H](C)c1cccc(OC)c1 6699585 BYRQUCGLELHWHG-SNVBAGLBSA-N 221.300 2.673 0 50 BFAA CCOc1ccccc1NC(=O)Nc1ccon1 6728959 CMPITCPKPPOARA-UHFFFAOYSA-N 247.254 2.717 0 50 BFAA CCCc1c(C)c2ccccc2[nH]c1=O 8584474 WITAVZMBKRKAHD-UHFFFAOYSA-N 201.269 2.789 0 50 BFAA CCNC(=O)c1cccc(Cl)c1Cl 13008575 XLIWICYILPTDAW-UHFFFAOYSA-N 218.083 2.743 0 50 BFAA CCc1cc(C(=O)Nc2cccnc2)cs1 16606080 NTULSFNRTNSZPE-UHFFFAOYSA-N 232.308 2.958 0 50 BFAA Cc1cccc(O[C@@H](C)C(=O)NC(C)C)c1C 20110308 DJKAXGLNVJQDEK-LBPRGKRZSA-N 235.327 2.595 0 50 BFAA O=C(O)C(F)(F)c1ccc(F)c(Cl)c1 31829529 DFBBKEDRIACDMM-UHFFFAOYSA-N 224.565 2.656 0 50 BFAA CC(=O)N(C(C)=O)c1c(Cl)cccc1Cl 39296616 CKPQWEDVABNFEH-UHFFFAOYSA-N 246.093 2.893 0 50 BFAA O=Cc1ccc(Cl)cc1Br 39409762 AJOAHIKYBSZIEV-UHFFFAOYSA-N 219.465 2.915 0 50 BFAA in-vitro CC1(C)CNCc2cc(Br)ccc21 85344462 NOMMPPJSKTYNEA-UHFFFAOYSA-N 240.144 2.830 0 50 BFAA in-vitro CC(=O)[C@H]1CC=C(Br)CC1 85483014 MFZYGUCXBQSIAS-ZETCQYMHSA-N 203.079 2.654 0 50 BFAA in-vitro COC(=O)c1c(F)cc(C(F)(F)F)cc1F 169796966 KOTXJVUCMSTGHQ-UHFFFAOYSA-N 240.127 2.770 0 50 BFAA CC1CCN(C(=O)[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)CC1 247797238 ZTXKNOMVBZDBOE-QSLWVIQJSA-N 233.355 2.537 0 50 BFAA CC[C@@]1(C)CCN(c2ncnc3[nH]ccc23)C1 335338746 PFPCRCQMWMUWRR-ZDUSSCGKSA-N 230.315 2.584 0 50 BFAA CC[C@H]1C=CCN1C(=O)c1ccc(C(C)=O)s1 952969947 KUZBGNVJJAEKHF-JTQLQIEISA-N 249.335 2.741 0 50 BFAA CC(=O)c1ccc(C(=O)OC[C@@H]2CC[C@@H](C)C2)[nH]1 1875295412 XKCDPWNHIDIYCX-MWLCHTKSSA-N 249.310 2.810 0 50 BFAA CC(C)NS(=O)(=O)c1ccc2ccccc2c1 318754 MWRLXNPNYHYJPF-UHFFFAOYSA-N 249.335 2.527 0 50 BFAA Nc1c(F)cc(Cl)cc1Br 389787 HBHBARSMRVAINH-UHFFFAOYSA-N 224.460 2.824 0 50 BFAA biogenic,in-vitro Cc1ccc(C(=O)[C@@H](O)c2ccccc2)cc1 393162 ZXFSXZYDGCZLBE-AWEZNQCLSA-N 226.275 2.911 0 50 BFAA biogenic Cc1cc(C)c(NC(=O)c2cnccn2)c(C)c1 410822 JYUBZLSWJKGEQI-UHFFFAOYSA-N 241.294 2.654 0 50 BFAA CC(C)C(NC(=O)COc1ccccc1)C(C)C 450349 WSPZUEVAHARHKE-UHFFFAOYSA-N 249.354 2.862 0 50 BFAA O=C(O)CCCCCC(=O)c1ccccc1 1594493 DOQWHEUDAHLEPT-UHFFFAOYSA-N 220.268 2.904 0 50 BFAA CCOC(=O)c1c(F)c(F)c(F)c(F)c1F 2168348 DFUDMSIRGGTHGI-UHFFFAOYSA-N 240.127 2.559 0 50 BFAA in-vitro CCCNC(=O)Nc1cc(C)ccc1OC 2171992 IHLALIXAZHDFON-UHFFFAOYSA-N 222.288 2.535 0 50 BFAA CC(C)=CCC[C@@H](C)CN1CCC[C@@H]1CO 4011074 AOSTYZSPTDXKKY-ZIAGYGMSSA-N 225.376 2.826 0 50 BFAA CCc1ccc(-c2cn3cccnc3n2)cc1 4235093 QAQMBYASUUSKAN-UHFFFAOYSA-N 223.279 2.959 0 50 BFAA in-vitro Cc1n[nH]c(N)c1-c1ccc(Cl)cc1 4660540 PIYGPVNFVWLQAG-UHFFFAOYSA-N 207.664 2.621 0 50 BFAA in-vitro NCc1ccc(-c2ccc(F)cc2)cc1 5763424 BGOOSUGWQICZRA-UHFFFAOYSA-N 201.244 2.951 0 50 BFAA CN[C@@H](c1ccccc1)[C@@H](NC)c1ccccc1 38202286 BTHYVQUNQHWNLS-HOTGVXAUSA-N 240.350 2.908 0 50 BFAA CCn1ncc2cc(Br)ccc21 39102571 IAKHKDBOSJPQEH-UHFFFAOYSA-N 225.089 2.819 0 50 BFAA in-vitro O=C(O)c1c(Cl)cc(Cl)nc1Cl 42684233 XORBTGOVTLGEOU-UHFFFAOYSA-N 226.446 2.740 0 50 BFAA in-vitro COCC(=O)CCCCc1ccccc1 43504963 YIWDCNWPEXINPR-UHFFFAOYSA-N 206.285 2.615 0 50 BFAA CC(=O)Nc1ccc(F)c(Br)c1 59972665 OMWYNCIQAUQVNM-UHFFFAOYSA-N 232.052 2.547 0 50 BFAA in-vitro FC1(F)CCCN(Cc2ccccc2)C1 63360942 HIOVCYJEALPSEO-UHFFFAOYSA-N 211.255 2.918 0 50 BFAA CC(C)c1nccn1[C@@H](C)c1nc(C2CC2)n[nH]1 65463878 YUBDZGHVCBFIIC-VIFPVBQESA-N 245.330 2.611 0 50 BFAA NC1(C(=O)c2ccccc2Cl)CCCC1 71531457 FIJSBFDXDYLKMV-UHFFFAOYSA-N 223.703 2.794 0 50 BFAA Oc1cccc(Cl)c1OC(F)(F)F 118006207 QPHCXZCOHMJKFP-UHFFFAOYSA-N 212.554 2.944 0 50 BFAA CCCc1cc(C(=O)O)n(-c2ccccc2)n1 1857787195 OCRAFHPAIWGGOU-UHFFFAOYSA-N 230.267 2.523 0 50 BFAA Cc1ccncc1NC(=O)N1CC2(CCCC2)C1 1875261626 WGAHHKNVXVNTBZ-UHFFFAOYSA-N 245.326 2.798 0 50 BFAA C[C@@H]1CCCCN1C(=O)c1cccs1 29174 YSIORHVCVRQUFC-SECBINFHSA-N 209.314 2.763 0 50 BFAA O=C(CSc1nc2ccccc2[nH]1)C1CC1 53137 ATVWSZHDXNJBDB-UHFFFAOYSA-N 232.308 2.634 0 50 BFAA COc1ccccc1NC(=O)c1ccccc1N 290999 VESKUPCSIUQXPZ-UHFFFAOYSA-N 242.278 2.530 0 50 BFAA c1ccc(-c2noc(-c3ccncc3)n2)cc1 304068 LICZKOGIHNOERI-UHFFFAOYSA-N 223.235 2.799 0 50 BFAA COC(=O)N1c2ccc(F)cc2CC[C@H]1C 2751505 LOMMUUIDJKXJIN-MRVPVSSYSA-N 223.247 2.733 0 50 BFAA Cc1cc(Br)c2nc(N)sc2c1 3676498 PBKFYZMSNJCLOA-UHFFFAOYSA-N 243.129 2.949 0 50 BFAA COC(=O)CC[C@H](N)c1cccc2ccccc12 4240512 ASROVWQFDBBOLR-AWEZNQCLSA-N 243.306 2.793 0 50 BFAA O=Cc1c[nH]nc1-c1cccc(Cl)c1 4243005 AZCKCFMHUXPYNT-UHFFFAOYSA-N 206.632 2.543 0 50 BFAA CCCCCC[C@H](C(C)=O)C(=O)OCC 4582598 BRGRZPQESQKATK-LLVKDONJSA-N 214.305 2.725 0 50 BFAA CCOc1ccc(-n2c(C)n[nH]c2=S)cc1 5823160 RBZHKNYFTBNWNS-UHFFFAOYSA-N 235.312 2.637 0 50 BFAA CC[C@H](C)NC(=O)c1ccc(OC)c(C)c1 9063940 DLAAXHNVRTZVMX-JTQLQIEISA-N 221.300 2.532 0 50 BFAA CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)O 12437241 CILPHQCEVYJUDN-VWYCJHECSA-N 214.305 2.548 0 50 BFAA Cc1cc(C)c2cc(C(=O)O)sc2n1 20268149 OKPHGWXJQSOYAX-UHFFFAOYSA-N 207.254 2.611 0 50 BFAA in-vitro CCOC(=O)CC(=O)c1ccc(Cl)s1 35285934 WEZMBZKPZTUAFI-UHFFFAOYSA-N 232.688 2.537 0 50 BFAA CCOC(=O)[C@H](C)SCc1ccccc1 42287930 KIQWCXXXGXNNGQ-JTQLQIEISA-N 224.325 2.871 0 50 BFAA Nc1ccc2nc(Br)sc2c1 64033692 PKRUNKROSSHAGG-UHFFFAOYSA-N 229.102 2.641 0 50 BFAA in-vitro O=Cc1cc(F)cc(F)c1Br 141162020 BXSMAMKROIRRQQ-UHFFFAOYSA-N 221.000 2.540 0 50 BFAA in-vitro C[C@H](NCc1ccc(C(=O)O)cc1)C(C)(C)C 159036423 MZFNSUBLEYTXHW-JTQLQIEISA-N 235.327 2.909 0 50 BFAA FCCCNC1(c2cccc(F)c2)CC1 179701070 SYKQEOKJNLXMBP-UHFFFAOYSA-N 211.255 2.764 0 50 BFAA CC(=O)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 244060938 TYRQZMZVDSWPHI-CYBMUJFWSA-N 242.322 2.894 0 50 BFAA Oc1cc(F)cc(Br)c1Cl 263625227 XWMCXXCEGCNDBM-UHFFFAOYSA-N 225.444 2.947 0 50 BFAA FC1(F)CC(CSc2nncs2)C1 295035941 SIGDCOMAHNEFIA-UHFFFAOYSA-N 222.285 2.676 0 50 BFAA Oc1cc(Cl)c(Cl)nc1Br 694845081 DRZLDNYVCVAVPR-UHFFFAOYSA-N 242.887 2.857 0 50 BFAA Cc1cncc(NC(=O)[C@]23CCCC[C@H]2C3)c1 866405868 LHGUGFIOHLPGAD-FZMZJTMJSA-N 230.311 2.909 0 50 BFAA O=c1c2cccc(O)c2cnn1C1CCCCC1 899349132 VINPHCMBSGJPBM-UHFFFAOYSA-N 244.294 2.607 0 50 BFAA CC(C)C(=N)NO[C@@H]1CCCc2cccnc21 1615056194 VQGDLRMDUIFLFM-LLVKDONJSA-N 233.315 2.613 0 50 BFAA O=C(O)c1cccc(NCc2ccccc2)c1 258746 RKALJCTZDXYJDQ-UHFFFAOYSA-N 227.263 2.997 0 50 BFAA COc1ccc(CNC(=O)C2CCCCC2)cc1 405870 SPVZCODBKFFLAD-UHFFFAOYSA-N 247.338 2.892 0 50 BFAA Cc1ccc(C)c(OCCCC(=O)O)c1 1777747 DEPUDJQRJVDTBF-UHFFFAOYSA-N 208.257 2.547 0 50 BFAA in-vitro CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)O 2557821 NMMDCNBSSRFWTE-SNVBAGLBSA-N 228.675 2.890 0 50 BFAA Cc1ccc(C)c(-c2[nH]ncc2C=O)c1 4237564 VAZHRVTXGPCPLL-UHFFFAOYSA-N 200.241 2.506 0 50 BFAA Nc1cc(-c2ccccc2)sc1C(=O)O 9189769 CADPUALMFMAHDY-UHFFFAOYSA-N 219.265 2.696 0 50 BFAA in-vitro CCn1cnc2cc(Br)ccc21 32500696 BLOFTARVSUNVQP-UHFFFAOYSA-N 225.089 2.819 0 50 BFAA in-vitro COc1cccnc1-c1cccc(NC(C)=O)c1 32511600 BBYDARPTYVVVBV-UHFFFAOYSA-N 242.278 2.716 0 50 BFAA COC(=O)c1ccc(OCC(C)C)c(OC)c1 57517695 PWKDXKHWGSBZOS-UHFFFAOYSA-N 238.283 2.517 0 50 BFAA CCN[C@@H](CC)C(=O)c1ccc2c(c1)CCC2 71535495 VJXZPPKMTRTYIH-AWEZNQCLSA-N 231.339 2.746 0 50 BFAA in-vitro Cc1ccc(C(=O)C(C)(C)Br)o1 71788788 YWICAKPJYCAHGJ-UHFFFAOYSA-N 231.089 2.944 0 50 BFAA COc1ccc2c(C)cc(-c3cn[nH]c3)nc2c1 97604215 CVXQVHASBONDLX-UHFFFAOYSA-N 239.278 2.942 0 50 BFAA CC[C@@H](NC[C@H](C)O)c1cccc(Cl)c1F 135041876 MYMBVQKDJAGPLB-GZMMTYOYSA-N 245.725 2.901 0 50 BFAA Cc1ccc(F)cc1OCc1ccno1 230402681 OXHUFWGUKGOHDA-UHFFFAOYSA-N 207.204 2.701 0 50 BFAA O=C(N[C@@H]1CC[C@H]2CCCC[C@H]2C1)C1CC1 253370907 XUJCZHUPQVBGRA-KGYLQXTDSA-N 221.344 2.872 0 50 BFAA CC(C)Cn1c(C(=O)O)nc2cc(F)ccc21 255190200 VPLRGVOVEXZUNH-UHFFFAOYSA-N 236.246 2.530 0 50 BFAA Cc1nnc(CN2C[C@@]3(C)C[C@H]2CC(C)(C)C3)o1 334314976 MWLYTQLEPPNKSR-RISCZKNCSA-N 249.358 2.779 0 50 BFAA O=C([C@H]1CCCc2sccc21)N1CC2(CC2)C1 334841539 GPZDTEDBJBWLGO-NSHDSACASA-N 247.363 2.790 0 50 BFAA O=C(CC1CC(F)(F)C1)N[C@@H]1C=CCCC1 336200577 CVGHFCZTZSVNIK-SNVBAGLBSA-N 229.270 2.647 0 50 BFAA CCCC[C@H](C)N(C)c1ncnc2[nH]ccc12 357817614 NSUMVJDSCYNWCA-JTQLQIEISA-N 232.331 2.973 0 50 BFAA C[C@@H]1C[C@@H]2CCCC[C@H]2N1C[C@H]1CCOC1 608500414 BISZNPCAEKWHTL-YIYPIFLZSA-N 223.360 2.676 0 50 BFAA CCNC(=O)c1[nH]c2cc(F)cc(F)c2c1C 2325775728 KVMSQQSIZULUSX-UHFFFAOYSA-N 238.237 2.504 0 50 BFAA CCn1ncc(-c2cccc(N(C)C)c2)c1C 2356152667 UVZBSZMUJGQFJP-UHFFFAOYSA-N 229.327 2.944 0 50 BFAA CC[C@H]1COCc2nnc(-c3sccc3C)n21 2356168803 ODTCMVYYGATGSG-VIFPVBQESA-N 249.339 2.796 0 50 BFAA O=C1OC(c2ccccc2)=N/C1=C/c1ccco1 47245 QJBMVCDGBSYRJD-FMIVXFBMSA-N 239.230 2.624 0 50 BFAA CCC(=O)Nc1nc2ccc(OC)cc2s1 118137 UAVSMPZIKNDTLX-UHFFFAOYSA-N 236.296 2.653 0 50 BFAA COc1ccccc1C(=O)Nc1cccc(N)c1 354592 CRADUZBGCRYWQX-UHFFFAOYSA-N 242.278 2.530 0 50 BFAA Cc1ccc(NC(=O)c2ccccc2)nc1 362494 KUAULQNJJCPMMR-UHFFFAOYSA-N 212.252 2.642 0 50 BFAA O=Cc1cccc(OC(=O)c2cccc(F)c2)c1 565997 YUPHYVTYCFDIBD-UHFFFAOYSA-N 244.221 2.857 0 50 BFAA O/N=c1/cc(-c2ccccc2)ss1 1021040 VDRZWCZMAJAHGZ-KTKRTIGZSA-N 209.295 2.767 0 50 BFAA CCOC(=O)[C@@H](C)Oc1cc(C)cc(C)c1 2549400 VUORDMCVSLAQAB-LLVKDONJSA-N 222.284 2.634 0 50 BFAA CCC(=O)c1ccccc1OCCN(CC)CC 3619135 FWXGAWZNPLXCQX-UHFFFAOYSA-N 249.354 3.000 0 50 BFAA CCN1CCC(NCC2CCCCC2)CC1 3683558 XJSLXDBSZSBJRC-UHFFFAOYSA-N 224.392 2.641 0 50 BFAA CN(C)c1ccc2sc(S)nc2c1 5686956 MRNIVPAGSZPGDS-UHFFFAOYSA-N 210.327 2.651 0 50 BFAA CCc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1 6741529 ZAXIWFGAGXGJBV-ZDUSSCGKSA-N 248.326 2.550 0 50 BFAA Cc1ccc(NC(=O)Nc2ccon2)cc1F 13320341 KOUXNDUTNUAATK-UHFFFAOYSA-N 235.218 2.766 0 50 BFAA Cc1c(F)c(Cl)nc(Cl)c1C(=O)O 34475767 CACZOIOUVVFGLV-UHFFFAOYSA-N 224.018 2.534 0 50 BFAA CC(C)C[C@H](O)C1CCN(c2ccncc2)CC1 77486033 CTRNIJLAFZKOLB-HNNXBMFYSA-N 248.370 2.705 0 50 BFAA Cc1cc2cc(N[C@@H]3C[C@H](C)OC3=O)ccc2[nH]1 113308010 DKPSCJGYMCKZKT-TVQRCGJNSA-N 244.294 2.592 0 50 BFAA FC(F)(F)c1cnc2c(Cl)ncnc2c1 145444920 ZNMRQSOIKVOCBL-UHFFFAOYSA-N 233.580 2.697 0 50 BFAA O=Cc1ccccc1-c1ccncc1F 157500483 KOGFJKQKSRXKTH-UHFFFAOYSA-N 201.200 2.700 0 50 BFAA CC(C)c1noc([C@@H]2CCC(=O)C[C@@H]2C)n1 162579711 BJTDUZVYEIXDIB-WCBMZHEXSA-N 222.288 2.666 0 50 BFAA Cc1ccc(OCc2noc(C3CC3)n2)cc1F 192577411 SEDZUYHPHRPKJE-UHFFFAOYSA-N 248.257 2.974 0 50 BFAA CSCCCNC(=O)[C@@H]1CCc2ccccc21 216283555 SIJMXKAZQPKCRO-CYBMUJFWSA-N 249.379 2.586 0 50 BFAA Cc1cc(-c2ncc(C)c(N(C)C)n2)ccc1O 426394512 GFJVOVZQZZTZSF-UHFFFAOYSA-N 243.310 2.532 0 50 BFAA CC[C@H](SC)c1nc(-c2nc(C)c[nH]2)no1 864096517 CCSFJWFNTNHUTN-ZETCQYMHSA-N 238.316 2.582 0 50 BFAA CC(C)Cc1ccc(-c2cc(O)n[nH]2)cc1 36301 AXPYVDKDSBGYSR-UHFFFAOYSA-N 216.284 2.981 0 50 BFAA O=C1c2ccccc2C(=O)N1c1ccc(F)cc1 391075 QWWFWKBCBKKEAG-UHFFFAOYSA-N 241.221 2.626 0 50 BFAA COC(=O)c1cccc(-c2cccc(CO)c2)c1 1256665 LMMIVXXNHMOWKJ-UHFFFAOYSA-N 242.274 2.633 0 50 BFAA O[C@H](c1ccc(Cl)cc1)C(F)(F)F 1592589 DONAZKZEGGHKRH-SSDOTTSWSA-N 210.582 2.936 0 50 BFAA in-vitro CCCCNC(=O)Nc1cc(C)ccc1OC 2171994 GXKWBKAKMUEFHR-UHFFFAOYSA-N 236.315 2.925 0 50 BFAA COc1ccc(CN[C@H]2CCCC[C@H]2OC)cc1 4030881 IXIIAAAZONRLLO-LSDHHAIUSA-N 249.354 2.742 0 50 BFAA CCc1ccc(C(=O)NCc2cccnc2)cc1 6120500 OIBRUXLGFBAQOI-UHFFFAOYSA-N 240.306 2.574 0 50 BFAA CCNCCOc1ccc(Cl)cc1Cl 6701876 MKVSWNJGZABDTD-UHFFFAOYSA-N 234.126 2.982 0 50 BFAA c1ccc(CCCOCC2CCNCC2)cc1 12138134 UKIRSOPORYDULU-UHFFFAOYSA-N 233.355 2.635 0 50 BFAA in-vitro COc1cc(O)c2c(O)c(C(C)=O)c(C)cc2c1 13307187 BIJOPUWEMBBDEG-UHFFFAOYSA-N 246.262 2.771 0 50 BFAA endogenous,in-man CCCOc1ccc(Br)cn1 16677938 YAWVJCMWTJITGM-UHFFFAOYSA-N 216.078 2.633 0 50 BFAA in-vitro O=C(O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 20392472 SHCKKENSUDTLMS-SFYZADRCSA-N 230.185 2.894 0 50 BFAA in-vitro CCn1cc(C(=O)C(C)(C)N)c2ccccc21 34222346 FTLURXHRHYMYBV-UHFFFAOYSA-N 230.311 2.581 0 50 BFAA O=C(O)c1ccc(-c2cccc(C(=O)O)c2)cc1 35785283 GSYIVQLTSZFJRV-UHFFFAOYSA-N 242.230 2.750 0 50 BFAA in-vitro O=C(CCC/C=C\CO)c1ccccc1 39039573 JZZMSZRGIRIFBY-UQCOIBPSSA-N 204.269 2.588 0 50 BFAA O=C(O)c1cccc(-c2cc(F)cc(F)c2)n1 41265021 RPBRVJLENUJJBZ-UHFFFAOYSA-N 235.189 2.725 0 50 BFAA Fc1cnc(Cl)nc1NC1CCCC1 70461079 HZWNTIIEAVMVKW-UHFFFAOYSA-N 215.659 2.624 0 50 BFAA Cc1nc(NC2CCOCC2)c2sccc2n1 95362989 RNBRZHGUCSGBFN-UHFFFAOYSA-N 249.339 2.591 0 50 BFAA Nc1cnc2ccc(C(F)(F)F)cc2c1 95831046 BEYOSZHIAWYERF-UHFFFAOYSA-N 212.174 2.836 0 50 BFAA in-vitro CCC[C@H]1CCN(N)[C@@H]1c1cccc(OC)c1 96027609 WNHHXDQUSUDQGZ-FZMZJTMJSA-N 234.343 2.732 0 50 BFAA OCCc1c(Cl)ccc(F)c1Cl 166426740 GXBCRVJHEZJOIN-UHFFFAOYSA-N 209.047 2.667 0 50 BFAA in-vitro CCC(=O)[C@H](C)C(=O)c1ccc(F)cc1 232841996 IADMDHCXIKXMPN-QMMMGPOBSA-N 208.232 2.624 0 50 BFAA Cc1ccc([C@H]2[C@H](C)CCCN2CC(=O)O)cc1 237399487 VLSSEQJQTAEUKH-IUODEOHRSA-N 247.338 2.853 0 50 BFAA C[C@H](NCCC1(O)CCC1)c1cccs1 284427009 RRZIQAUPFVZKHH-JTQLQIEISA-N 225.357 2.704 0 50 BFAA COc1ccc([C@H]2C[C@@H]3CC[C@H](C2)N3)cc1 380468817 DNIQKHGSLRUXPT-XYYAHUGASA-N 217.312 2.693 0 50 BFAA COC[C@@H](C)N(C)Cc1cnc2ccccc2c1 952995380 KHHJNYXARAYNJX-GFCCVEGCSA-N 244.338 2.702 0 50 BFAA CC1(C)C(C(=O)Nc2cccnc2)C1(C)C 174477 XIADTLVFLIESGQ-UHFFFAOYSA-N 218.300 2.702 0 50 BFAA O[C@@H]1CCN(Cc2ccc(Cl)cc2Cl)C1 217518 CBZKXAKTSOBSGM-SNVBAGLBSA-N 246.137 2.560 0 50 BFAA CC[C@H](Oc1ccc(Cl)cc1C)C(=O)O 334853 GVMOTDXEGIBMCK-VIFPVBQESA-N 228.675 2.890 0 50 BFAA O=C1c2ccccc2COc2ccccc21 346948 YUSHFLBKQQILNV-UHFFFAOYSA-N 210.232 2.810 0 50 BFAA in-vitro CCOC(=O)c1ccc(NC(=O)C(C)(C)C)cc1 389982 MHKFDKUKVCJGIN-UHFFFAOYSA-N 249.310 2.848 0 50 BFAA CCCCC[C@H]1COCC[C@H]1OC(C)=O 2166741 VSRVCSJJKWDZSH-NWDGAFQWSA-N 214.305 2.535 0 50 BFAA COc1ccc(OCCCCN2CCCC2)cc1 2497230 SXUUWCYCFIVYHX-UHFFFAOYSA-N 249.354 2.950 0 50 BFAA COC(=O)c1c(Cl)cccc1Br 2511080 XSNZTSBNXMQBRI-UHFFFAOYSA-N 249.491 2.889 0 50 BFAA in-vitro CCOC(=O)[C@@H]1[C@@H]2C=C3CCc4cccc(c43)[C@@H]21 4532623 LWENPOAPZKOYQS-VHDGCEQUSA-N 240.302 2.923 0 50 BFAA CC[C@H](C)NC(=O)CSCc1ccccc1 6934232 CAYJEHBMEUYIQZ-NSHDSACASA-N 237.368 2.835 0 50 BFAA NC(=O)c1cccc(Oc2ccccc2)c1 12174418 FRRTWPSQWYNGEG-UHFFFAOYSA-N 213.236 2.578 0 50 BFAA C[C@@H]1C[C@@H]1C(=O)NC1CCCCCCC1 13329317 SEFREKPHHHXHTH-PWSUYJOCSA-N 209.333 2.872 0 50 BFAA CCOC(=O)c1c(Cl)ccnc1Cl 40448937 KMFWUAUMIFXMBF-UHFFFAOYSA-N 220.055 2.565 0 50 BFAA in-vitro Cc1cccc(-c2nc(Br)n[nH]2)c1 49584897 JSJNGBMYTOUBGI-UHFFFAOYSA-N 238.088 2.543 0 50 BFAA in-vitro CC(C)(C)OC(=O)CCNCC1CCCCC1 71769677 JNXOAYVLQKCGLG-UHFFFAOYSA-N 241.375 2.888 0 50 BFAA O=C(CCCc1cnccn1)c1ccccc1 71773151 RRHYNYFUEHNYPR-UHFFFAOYSA-N 226.279 2.682 0 50 BFAA CC1=CC(C)(C)Nc2ccc(C(=O)O)cc21 72417500 FGPYQECEIYESLC-UHFFFAOYSA-N 217.268 2.992 0 50 BFAA CC1(C)CNCc2cccc(Br)c21 91366385 TWKOHMCQTMGJSC-UHFFFAOYSA-N 240.144 2.830 0 50 BFAA COc1ccc(-c2cc(F)c(F)c(F)c2)nn1 96136349 AOQQWNDRDZRIQL-UHFFFAOYSA-N 240.184 2.570 0 50 BFAA COC(=O)/C=C/c1cccc(OC(F)(F)F)c1 96308779 YBYIHPMCNDRQTJ-AATRIKPKSA-N 246.184 2.771 0 50 BFAA CC1(C)CCc2c(C(=O)O)csc2C1 149099126 RSDOZUAOQJDKNR-UHFFFAOYSA-N 210.298 2.961 0 50 BFAA Cc1cc(O)cnc1OCc1ccccc1 261493725 IAYIIEZESAGNKL-UHFFFAOYSA-N 215.252 2.675 0 50 BFAA CC[C@@H]1CCCN(Cc2nnc(C)s2)CC1 335427442 LAKMZANYDMVNTL-LLVKDONJSA-N 239.388 2.859 0 50 BFAA Clc1cncnc1N[C@@H]1C[C@H]1c1ccco1 413608521 UBNNCIREFFRISI-VXNVDRBHSA-N 235.674 2.691 0 50 BFAA COCCN(C)c1ccc(-c2ccsc2)cn1 585091884 AMIURHHJPXUAES-UHFFFAOYSA-N 248.351 2.893 0 50 BFAA CC(C)OP(=O)(OC(C)C)N1C[C@@H]1C 599811618 MALAZZMAEHYRBE-RGURZIINSA-N 221.237 2.649 0 50 BFAA CCc1sc(C2(N)CCCC2)nc1C 720104019 FLWBRLQRAVUMHD-UHFFFAOYSA-N 210.346 2.742 0 50 BFAA C=CC(=O)NCC1(c2cccc(F)c2)CCC1 1353215478 OYKFFEIMWVFXFM-UHFFFAOYSA-N 233.286 2.550 0 50 BFAA C[C@@H]1CC(=O)Nc2cccc(Br)c21 1857779724 CKFDQRJLNGWLLT-ZCFIWIBFSA-N 240.100 2.895 0 50 BFAA COc1cccc(C(=O)c2ccc(O)cc2)c1 185729 USYZLABLTLYZKW-UHFFFAOYSA-N 228.247 2.632 0 50 BFAA Cc1ccc2c(c1)c1c3n2CCN[C@@H]3CCC1 347886 IWVRVEIKCBFZNF-CYBMUJFWSA-N 226.323 2.930 0 50 BFAA biogenic,world NCc1ccc(OCc2ccccc2)cc1 2524597 JDOJFXVTTCGROH-UHFFFAOYSA-N 213.280 2.724 0 50 BFAA in-vitro COc1ccc(C(C)=O)cc1C(F)(F)F 2572879 ABUSWLOUSQWWLA-UHFFFAOYSA-N 218.174 2.917 0 50 BFAA COc1ccc(NC(=O)Nc2ccccn2)cc1 3191065 YPMUEPXTZYIYQT-UHFFFAOYSA-N 243.266 2.734 0 50 BFAA Cc1cnc(NC(=O)C2CCCC2)s1 3459041 VJXYDYVVQABSFI-UHFFFAOYSA-N 210.302 2.580 0 50 BFAA Cc1cc(Br)ccc1N(C)C 4208836 CWERDFVJQVKRAL-UHFFFAOYSA-N 214.106 2.824 0 50 BFAA in-vitro Cc1nc(-c2ccccc2F)sc1C(=O)O 4993663 ZNAHNFKZFMHFQE-UHFFFAOYSA-N 237.255 2.956 0 50 BFAA CN(c1ncc(C=O)s1)C1CCCCC1 6145125 UGXAMPILUZIDDT-UHFFFAOYSA-N 224.329 2.725 0 50 BFAA CCOC(=O)c1[nH]c2c(OC)cccc2c1CC 6450378 IHVXWOVETPBXSD-UHFFFAOYSA-N 247.294 2.916 0 50 BFAA CCCCC(=O)Nc1ccccc1C(=O)O 11638445 FNXYKRJGWPQPIB-UHFFFAOYSA-N 221.256 2.514 0 50 BFAA CCOc1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1 13326431 QBARECPEBXJSAF-BXKDBHETSA-N 219.284 2.680 0 50 BFAA COC(=O)COc1ccccc1C(C)(C)C 20305769 CJMMNRZZLSVPIS-UHFFFAOYSA-N 222.284 2.536 0 50 BFAA COc1ccc(S)cc1Br 20522379 NPZXSSPQYVAKKT-UHFFFAOYSA-N 219.103 2.746 0 50 BFAA C[C@@H](Oc1cccc(-c2ccncc2)c1)C(=O)O 32603433 NDJJRPLMMZMIJR-SNVBAGLBSA-N 243.262 2.601 0 50 BFAA Cc1ccc(C(=O)NCCCOC(C)C)c(C)c1 42236314 VCVSKPXLMQKWDN-UHFFFAOYSA-N 249.354 2.848 0 50 BFAA OCc1ccc2c(c1)CN(Cc1ccccc1)C2 58011322 OJYMOHXXGCNJGW-UHFFFAOYSA-N 239.318 2.695 0 50 BFAA FC(F)=C(Br)Br 63148397 VTFPVQZQUFXLFH-UHFFFAOYSA-N 221.826 2.842 0 50 BFAA in-vitro OCC1c2ccccc2CCc2ccccc21 95630163 NARLNRIFIJXMSO-UHFFFAOYSA-N 224.303 2.909 0 50 BFAA in-vitro Cc1nc2c(Br)cccc2o1 95944452 PCDOABUEJUJMKB-UHFFFAOYSA-N 212.046 2.899 0 50 BFAA CCCC(=O)[C@@H]1C[C@H](C(C)C)CCC1=O 109253555 YUGLCPNBZCECTO-MNOVXSKESA-N 210.317 2.997 0 50 BFAA COC1CCC(Nc2ccc(C)nc2)CC1 164275134 LMFNDDLSAUIONC-UHFFFAOYSA-N 220.316 2.760 0 50 BFAA CC(C)CCN[C@H]1CCO[C@H](C2CC2)C1 190812685 KALUNJYWZKDFDO-STQMWFEESA-N 211.349 2.580 0 50 BFAA O=C(Nc1ccsc1)Nc1ncccc1F 193971337 KIBFGLZYIDGIPX-UHFFFAOYSA-N 237.259 2.926 0 50 BFAA C[C@@H]1C[C@H](C[C@@H]2CC[C@@H](N)[C@H](C)C2)CC[C@@H]1N 212670052 IGSBHTZEJMPDSZ-OJVARPOJSA-N 238.419 2.904 0 50 BFAA in-vitro CCCC[C@H](C)C(=O)Nc1ccnc(C)n1 253395465 LRFFGMDWAKRTFY-VIFPVBQESA-N 221.304 2.550 0 50 BFAA O[C@@H]1Cc2ccc(NCCCCCF)cc2C1 253415874 LOUSHPQFPIEJGS-CQSZACIVSA-N 237.318 2.698 0 50 BFAA Cc1nc([C@@H](C)Oc2ccccc2F)no1 334936962 YEVWCWRVGJETEN-SSDOTTSWSA-N 222.219 2.657 0 50 BFAA CCC[C@@H]1CCC(=O)C[C@H]1N1CCCC1 725358732 BKHHVFCBEGRXQA-DGCLKSJQSA-N 209.333 2.620 0 50 BFAA CC(=O)Nc1ccc(C)cc1NC(=O)C1(C)CC1 952984651 QGNPLWVBGGKFBP-UHFFFAOYSA-N 246.310 2.692 0 50 BFAA C=CC(=O)N[C@H]1CCCc2ccc(F)cc21 1120552629 FHLWYQDNRDQNON-LBPRGKRZSA-N 219.259 2.505 0 50 BFAA Cc1ccc(CN(C)[C@H]2C[C@H]3C[C@@H](O)C[C@H]3C2)o1 1529186514 GTXAZGKKYUCOGV-KPWCQOOUSA-N 249.354 2.569 0 50 BFAA CCNC(=O)Nc1c(C)ccc2ncccc12 2325816061 XMMYTQOSSRDDHJ-UHFFFAOYSA-N 229.283 2.685 0 50 BFAA Cc1coc2cc3oc(=O)ccc3cc12 407882 NHIJIVPEMQAWBA-UHFFFAOYSA-N 200.193 2.848 0 50 BFAA biogenic Nc1nc2ccccc2n1Cc1ccccc1F 459664 KZJYMIFKYKVCQC-UHFFFAOYSA-N 241.269 2.806 0 50 BFAA C[C@H](CC(=O)c1cccc(Cl)c1)C(=O)O 2539849 LTEAZNXORJPLBP-SSDOTTSWSA-N 226.659 2.634 0 50 BFAA O=C(O)CCC(=O)c1ccc(Cl)c(F)c1 4242543 IRQZAGWHZPBKOD-UHFFFAOYSA-N 230.622 2.527 0 50 BFAA O=C(Oc1cncc(Cl)c1)c1ccco1 4419293 DWJOEJDGHVXXEB-UHFFFAOYSA-N 223.615 2.547 0 50 BFAA CC(C)CNC(=O)c1cccc(OC(C)C)c1 4850985 UMLAFNYOTKUOQA-UHFFFAOYSA-N 235.327 2.860 0 50 BFAA Nc1ccc(-c2ccc(Cl)cc2)cn1 16946495 LVARCJGOURVXJL-UHFFFAOYSA-N 204.660 2.984 0 50 BFAA in-vitro Cc1cc(-c2cc3ccccc3o2)nc(N)n1 32573354 PLDJRRYBVGIMJF-UHFFFAOYSA-N 225.251 2.780 0 50 BFAA O=C(O)c1cc(Cl)ccc1OC(F)(F)F 71867303 MXQBGMLCAJITNV-UHFFFAOYSA-N 240.564 2.937 0 50 BFAA CCCCNC[C@@H]1COc2ccc(C)cc2C1=O 96026744 DKFPOUIPSIKILX-GFCCVEGCSA-N 247.338 2.576 0 50 BFAA COC(=N)c1ccc2cc(O)ccc2c1 238344454 BFMOHRNTIFROGD-UHFFFAOYSA-N 201.225 2.517 0 50 BFAA CCCCCn1c[n+](Cc2cccc(C)c2)cn1 252499855 SGSPREWXHMSGQS-UHFFFAOYSA-N 244.362 2.718 0 50 BFAA COc1ccnc(-c2cccc3c2OCC3)c1 426733984 IDNYJANTBRDDLB-UHFFFAOYSA-N 227.263 2.692 0 50 BFAA O=C(Cc1coc2ccccc12)NC1CCC1 579623587 DLTGUXZFLBKYNL-UHFFFAOYSA-N 229.279 2.644 0 50 BFAA CCOCC1CCN(CCSC(C)C)CC1 670437339 HZXOUSJPHDOIGB-UHFFFAOYSA-N 245.432 2.877 0 50 BFAA Cc1ccnc(N(C)C(=O)C2CCCC2)c1 2325736777 PTSIXVBCHAZXLK-UHFFFAOYSA-N 218.300 2.543 0 50 BFAA O[C@H](c1ccc2c(c1)OCO2)c1cccs1 54632 LDFIRGAVJFQERU-GFCCVEGCSA-N 234.276 2.559 0 50 BFAA O=Cc1[nH]c(-c2ccccc2)nc1Cl 167414 CCXUATWKEDQRMP-UHFFFAOYSA-N 206.632 2.543 0 50 BFAA in-vitro O=C(CCC1CCCCC1)NC1=NCCS1 189927 BNPXHHBRHHBNSM-UHFFFAOYSA-N 240.372 2.566 0 50 BFAA CCOC(=O)Nc1cc(C(C)(C)C)on1 215175 QUCROCXEJQRURH-UHFFFAOYSA-N 212.249 2.541 0 50 BFAA CNC(=S)C1C2CC3CC(C2)CC1C3 289778 AYRQCQXSMWMWLM-UHFFFAOYSA-N 209.358 2.606 0 50 BFAA COc1ccc(C)cc1NC(=O)C(C)C 1230106 WYLBLKGQYCXNRQ-UHFFFAOYSA-N 207.273 2.598 0 50 BFAA Oc1ccccc1OC(F)(F)C(F)F 2243280 XBWDMKAWONTKRZ-UHFFFAOYSA-N 210.126 2.629 0 50 BFAA O=C(CCOc1ccccc1)Nc1nccs1 2474029 AUQIYEJVOFEAAP-UHFFFAOYSA-N 248.307 2.551 0 50 BFAA CC(=O)CC(=O)Nc1c(C)cccc1Cl 2556486 NRVXULLHSFITHB-UHFFFAOYSA-N 225.675 2.566 0 50 BFAA CC/C=C\CCOC(=O)c1ccccc1O 4474602 IEPWIPZLLIOZLU-ARJAWSKDSA-N 220.268 2.905 0 50 BFAA in-vitro Cc1ccc(CC(=O)NCc2cccs2)cc1 6726287 VCXCANREMADPQP-UHFFFAOYSA-N 245.347 2.915 0 50 BFAA Cc1nc(NC(=O)c2ccco2)ccc1Cl 10119500 QUUZYKYFTLEIHB-UHFFFAOYSA-N 236.658 2.889 0 50 BFAA CCn1ccc(NC(=S)Nc2ccccc2)n1 13771681 CXYBMXRMVOMDLV-UHFFFAOYSA-N 246.339 2.712 0 50 BFAA O=C(Nc1nccs1)c1cc(F)ccc1F 14128778 GBZYFDVJTXYIOC-UHFFFAOYSA-N 240.234 2.674 0 50 BFAA CC(=O)c1cccc(Br)c1F 14989321 GSLFYQYBXIVNLS-UHFFFAOYSA-N 217.037 2.791 0 50 BFAA in-vitro COc1cccc(-c2ccc(C=O)cc2)n1 20442904 OQYLQLAVBZSSDL-UHFFFAOYSA-N 213.236 2.570 0 50 BFAA CC(C)Oc1ncccc1Br 21981977 UHQQSDAMSSVOQU-UHFFFAOYSA-N 216.078 2.631 0 50 BFAA in-vitro C[C@H]1CN([C@@H]2CCc3ccccc3C2)C[C@@H](C)O1 23283511 UEVJCXSVUOEYMD-DVOMOZLQSA-N 245.366 2.653 0 50 BFAA Nc1nc(-c2ccc(C(F)(F)F)cc2)ns1 36753316 WHZCFYQQFJYQDI-UHFFFAOYSA-N 245.229 2.806 0 50 BFAA CCC(=O)Nc1ccccc1C(=O)N[C@@H](C)CC 51528873 KFCPKRDUZBQTPT-JTQLQIEISA-N 248.326 2.563 0 50 BFAA CN(C)C(=O)c1ccc(-c2ccccc2O)cc1 65340090 VCUASWZYBCNILL-UHFFFAOYSA-N 241.290 2.761 0 50 BFAA in-vitro COc1cccc(F)c1-c1cc(C)cnc1N 65424313 ZZZQQDMUHZRHIK-UHFFFAOYSA-N 232.258 2.787 0 50 BFAA O=Cc1ccccc1CO[C@@H]1CCCCO1 96024992 FEGNADMYWSPCJP-CYBMUJFWSA-N 220.268 2.542 0 50 BFAA CC[C@@H]1CN(c2ccnc(C)c2)CCN1C(C)C 96130434 RJNAZRRMDMWWQX-CQSZACIVSA-N 247.386 2.699 0 50 BFAA CC[C@H]1CCCCCN1C(=O)c1cc(C)on1 155610032 MLOFZGFFLCHQAQ-NSHDSACASA-N 236.315 2.778 0 50 BFAA Cc1cc(C(=O)N(C)[C@H](C)c2ccon2)c(C)o1 215647695 VSHOPZVBYDYNMR-SECBINFHSA-N 248.282 2.718 0 50 BFAA Fc1ccc(CNc2cnccn2)c(Cl)c1 225406869 PKCWUFOOWHHMST-UHFFFAOYSA-N 237.665 2.881 0 50 BFAA CC[C@H](NC(=O)C1CC=CC1)c1cc(C)ccn1 244787951 QGXOSHKOQUAHSV-ZDUSSCGKSA-N 244.338 2.924 0 50 BFAA Clc1ccnc(Nc2ccccn2)c1 306200004 LFPYZDHDWXMHAY-UHFFFAOYSA-N 205.648 2.874 0 50 BFAA CCn1nc(CC(C)C)nc1-c1ccncc1C 952866541 BMGKYAODJLJZPW-UHFFFAOYSA-N 244.342 2.867 0 50 BFAA C=CC(=O)N1CCC[C@@]1(C)c1ccccc1 1346091635 YVHIOOYUJZZCKE-AWEZNQCLSA-N 215.296 2.710 0 50 BFAA CCc1nc(-c2cc(C)n(C(C)C)n2)n(CC)n1 1857715582 YLOMDDADVMXKON-UHFFFAOYSA-N 247.346 2.613 0 50 BFAA CC[C@H](CCCC(=O)O)NC(=O)OC(C)(C)C 1857782978 GWCYZLLDANHENC-SECBINFHSA-N 245.319 2.545 0 50 BFAA C[C@@H]1CN(C[C@@H]2C=CCCCC2)CCC1=O 1875281328 HVQFYYJZUXOWQB-CHWSQXEVSA-N 221.344 2.644 0 50 BFAA C=C(Cl)c1c(Cl)cc(C)oc1=O 293791 LSGIBMQRILGOKO-UHFFFAOYSA-N 205.040 2.811 0 50 BFAA COc1ccc2ccccc2c1C(=O)O 395175 OSTYZAHQVPMQHI-UHFFFAOYSA-N 202.209 2.547 0 50 BFAA in-vitro CCN(CC)C(=O)Nc1ccccc1OC 396482 RJMQNNGVHBGTDA-UHFFFAOYSA-N 222.288 2.569 0 50 BFAA CCC[C@@H](C)NC(=O)c1ccc(F)cc1 441755 OUFYAVNREBEKGV-SECBINFHSA-N 209.264 2.744 0 50 BFAA Cc1ccc(CC(=O)NC2CCCCC2)cc1 578070 XVRYRDIRPVSKPN-UHFFFAOYSA-N 231.339 2.986 0 50 BFAA O=C(O)/C=C/c1cc(F)ccc1C(F)(F)F 2560193 LGTHHQOWFLXKQU-DAFODLJHSA-N 234.148 2.942 0 50 BFAA O=C(O)CSCc1cccc(Cl)c1 2651907 GYICVPMYXZNAHY-UHFFFAOYSA-N 216.689 2.658 0 50 BFAA in-vitro Cn1nc(C(F)(F)F)cc1-c1ccccc1O 4786712 BUIDTGUFPHMVPP-UHFFFAOYSA-N 242.200 2.812 0 50 BFAA CCOC(=O)COc1cc(C)ccc1Cl 6655579 XKZUKNBMNTXXOO-UHFFFAOYSA-N 228.675 2.590 0 50 BFAA Cc1cccc(CC(=O)Nc2cc(C)ccn2)c1 6715758 ZELAELYSNLYMRX-UHFFFAOYSA-N 240.306 2.880 0 50 BFAA CCOc1ccc(Nc2cc(C)ncn2)cc1 11902775 JBLYVGPQPYNGST-UHFFFAOYSA-N 229.283 2.927 0 50 BFAA O=Cc1c(F)ccc(Br)c1F 12359163 OXBHKEYDKAWFLS-UHFFFAOYSA-N 221.000 2.540 0 50 BFAA in-vitro CC[C@H](C)NC(=O)NCc1cccc(Cl)c1 13746285 SHIUMLJHYVZSOG-VIFPVBQESA-N 240.734 2.938 0 50 BFAA C1CCC(OCCCN[C@@H]2CCSC2)CC1 20191372 GGFZPPLUBXYDGD-GFCCVEGCSA-N 243.416 2.821 0 50 BFAA CCOC(=O)C(=O)c1cccc(C(C)C)c1 43504516 UOCLTFGZXHMJGO-UHFFFAOYSA-N 220.268 2.556 0 50 BFAA COc1ccc(-c2ncccc2C(=O)O)cc1F 65347955 IFWBPAAYTBBLDP-UHFFFAOYSA-N 247.225 2.595 0 50 BFAA C[C@@H]1CCC[C@@H](NC(=O)NCC2CC2)[C@@H]1C 127918961 DJSSVJKLIDNHMN-CKYFFXLPSA-N 224.348 2.520 0 50 BFAA CC(C)CCOC(=O)c1ccccc1C(=O)O 139697571 BTUUJXBKBIRHPP-UHFFFAOYSA-N 236.267 2.588 0 50 BFAA in-vitro Fc1ccc2c(c1)ncn1nc(C3CCC3)nc21 170614864 FAYGIHSHNMLRSR-UHFFFAOYSA-N 242.257 2.684 0 50 BFAA C[C@@H]1CN(c2ccnc3ccsc23)CCCO1 174723954 LVMFCXPYQJOFME-SNVBAGLBSA-N 248.351 2.912 0 50 BFAA C[C@H](O)c1ccc(CNc2ncccc2F)cc1 180425951 PIZQCJYSHSGLNA-JTQLQIEISA-N 246.285 2.886 0 50 BFAA C[C@@H](CCc1ccccc1)NCC1(CO)CCC1 184534274 JXDHMCGMCWTFTI-AWEZNQCLSA-N 247.382 2.760 0 50 BFAA C1CCN2CC[C@H](NC3CC4(CCC4)C3)[C@H]2C1 336251624 BCVBKARHIYGVIA-UONOGXRCSA-N 234.387 2.536 0 50 BFAA Cc1cc(C)nc(Nc2cccc(C(=O)O)c2)n1 150076 PYBQOOXFPKGJPP-UHFFFAOYSA-N 243.266 2.535 0 50 BFAA C[C@H](CC(=O)NCc1ccccc1)[C@H]1CCCO1 198737 JCBJRIFKIORSDK-TZMCWYRMSA-N 247.338 2.508 0 50 BFAA CCc1ccc(OCCn2ccnc2)cc1 431575 RZTCTGXOVXQJOA-UHFFFAOYSA-N 216.284 2.525 0 50 BFAA O=C(O)/C=C/C=C/c1ccc(Cl)cc1 1577000 XFRGOISOCUABHY-ZPUQHVIOSA-N 208.644 2.994 0 50 BFAA CN(C)C(=O)c1ccc(Cl)cc1Cl 1670669 MAKRFNZHAIRMQG-UHFFFAOYSA-N 218.083 2.695 0 50 BFAA Fc1nc(F)c(Cl)c(F)c1Cl 1850900 PKSORSNCSXBXOT-UHFFFAOYSA-N 201.962 2.806 0 50 BFAA Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2C)o1 2772584 TWUALTHVBQUTBA-MWLCHTKSSA-N 221.300 2.897 0 50 BFAA CN(C)c1ccc([C@@H](O)c2ccc(F)cc2)cc1 4244753 NMAXILUQHPHJSH-HNNXBMFYSA-N 245.297 2.973 0 50 BFAA Sc1nnc(Cc2ccc(Cl)cc2)o1 5996947 LOBIRZKDPDHUGL-UHFFFAOYSA-N 226.688 2.603 0 50 BFAA Cc1ccc(/C=C2/SC(=O)NC2=O)c(C)c1 12407059 KFYPWWDPFGBNDO-UXBLZVDNSA-N 233.292 2.627 0 50 BFAA COc1cc(C(=O)O)ccc1OC1CCCC1 19264831 UDNXKKGEMXXJBQ-UHFFFAOYSA-N 236.267 2.715 0 50 BFAA O=C(O)c1ccc(-c2cccc(F)c2)nc1 35630083 OYDONGYKOJEHSZ-UHFFFAOYSA-N 217.199 2.586 0 50 BFAA in-vitro O=Cc1cccc(Cl)c1Br 36533244 VEJPLARLFWIYNM-UHFFFAOYSA-N 219.465 2.915 0 50 BFAA in-vitro CC(=O)Oc1cccc(OC(F)(F)F)c1F 95495762 VONKDBFQWGSSQG-UHFFFAOYSA-N 238.136 2.650 0 50 BFAA CCOC(=O)/C=C1\CCc2c(C)cccc21 147300613 JUSSDDFFZXUUFZ-PKNBQFBNSA-N 216.280 2.888 0 50 BFAA COc1ccc(OCc2cccnc2)cc1C 193647138 BEBDCBDRAYDQLZ-UHFFFAOYSA-N 229.279 2.978 0 50 BFAA COc1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2 202262077 QCJLJPALEHIJAI-UHFFFAOYSA-N 249.310 2.993 0 50 BFAA COc1ccc2c(c1)[C@@H]1[C@@H]3[C@@H]4[C@@H]3[C@H]3[C@H]1[C@@H]3[C@H]24 257346640 XLLZTEORNJNOQZ-AFJJVBLESA-N 210.276 2.628 0 50 BFAA C[C@@H](c1nc(-c2ccon2)no1)C1CCC1 333874378 SMAVCDMKWCJBSL-SSDOTTSWSA-N 219.244 2.628 0 50 BFAA Cc1nc2cc(-c3ccnc(N)n3)ccc2s1 1243935330 UOGQQGVHVPEJMB-UHFFFAOYSA-N 242.307 2.644 0 50 BFAA NC[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F 1772715972 FTYWLAAFZZWTIL-PEBLOWIWSA-N 207.239 2.560 0 50 BFAA Cc1ccc2c(C(=O)N(C)CC3CC3)c[nH]c2c1 1875290577 QTCHIDARFLZAOX-UHFFFAOYSA-N 242.322 2.958 0 50 BFAA CCOC(=O)c1ccc(SC)cc1OC 122479 RLAOLSFGNWRDJW-UHFFFAOYSA-N 226.297 2.594 0 50 BFAA Cc1csc(NC(=O)C2CCCCC2)n1 363454 DMFWWHOSYWOMMW-UHFFFAOYSA-N 224.329 2.970 0 50 BFAA Cc1ccc(CNC(=O)C(C)(C)C)c(C)c1 389981 IIODSNXQOYLQQO-UHFFFAOYSA-N 219.328 2.966 0 50 BFAA CC(=O)Nc1cc(C(C)=O)ccc1Cl 2165379 BRLMCOZDQJLNHG-UHFFFAOYSA-N 211.648 2.501 0 50 BFAA COCc1ccc(F)c(Br)c1 2528589 QBVRUQXKXJMOGC-UHFFFAOYSA-N 219.053 2.735 0 50 BFAA [O-][n+]1onc(-c2ccccc2)c1-c1ccccc1 2819563 KDARYXSKPCAXJL-UHFFFAOYSA-N 238.246 2.642 0 50 BFAA O=C(NC1CC1)c1ccc2c3c(cccc13)CC2 2999384 MXYKBUGEZHESBA-UHFFFAOYSA-N 237.302 2.831 0 50 BFAA COc1ccc(NC(=O)Nc2cc(C)on2)cc1 6731398 IFLQTZIPWLCZOG-UHFFFAOYSA-N 247.254 2.636 0 50 BFAA COc1cccc(NC(=O)NC2CCCC2)c1 6742186 TZGMIKPKIBTIEU-UHFFFAOYSA-N 234.299 2.759 0 50 BFAA C[C@H]1CN(Cc2ccc(Cl)cc2)C[C@@H](C)O1 12341307 KNIIMCBPRMMBRM-PHIMTYICSA-N 239.746 2.949 0 50 BFAA CSc1ccccc1-c1cc(C)nc(N)n1 32582070 CRBBUDUSPZKKEG-UHFFFAOYSA-N 231.324 2.756 0 50 BFAA COc1cc(N)cc(Br)c1Cl 67796594 UTFANKZLVTVWQX-UHFFFAOYSA-N 236.496 2.693 0 50 BFAA CCCCn1nc(C(F)(F)F)cc1C=O 95495579 GFMCLFJSIVQJCR-UHFFFAOYSA-N 220.194 2.515 0 50 BFAA in-vitro O=C(N[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(F)cc1 101755273 XDAXZWOFMILOJN-GAFUQQFSSA-N 233.286 2.744 0 50 BFAA COc1cccc(-c2ccc(N)cc2)c1OC 139951598 SLZUQWZXCNYQTK-UHFFFAOYSA-N 229.279 2.953 0 50 BFAA COc1cccc(-c2cccc(N)c2)c1OC 143337306 PEQLDCDHJCCSMT-UHFFFAOYSA-N 229.279 2.953 0 50 BFAA CC1(C)C[C@@H]1C(=O)NCCSc1ccccc1 151954175 XPGWMFLZDHRICZ-GFCCVEGCSA-N 249.379 2.941 0 50 BFAA COC(=O)c1ccc(F)c2ccsc12 167660937 GIGPHQFRZHWBND-UHFFFAOYSA-N 210.229 2.827 0 50 BFAA CCN(CC)CCCSC1=N[C@@H](C)CS1 194558896 WNNZNGOTWPAQFY-JTQLQIEISA-N 246.445 2.943 0 50 BFAA CCC(CC)CNc1cc(C2CC(N)C2)ncn1 220286158 DGYYXSYTJRFGMC-UHFFFAOYSA-N 248.374 2.529 0 50 BFAA CC(C)c1cc(CNC(=O)C[C@@H]2C=CCC2)on1 223328784 WEDPRDKONZWFBK-LLVKDONJSA-N 248.326 2.771 0 50 BFAA CCOC(=O)c1cc2ccc(F)cc2o1 230532320 CULYJGRXYJCTEK-UHFFFAOYSA-N 208.188 2.749 0 50 BFAA Oc1cc(Br)ncc1C(F)(F)F 238727578 ZDRQEQSJXJOHKH-UHFFFAOYSA-N 241.994 2.569 0 50 BFAA C[C@@H](O)Cc1c(F)ccc(Cl)c1F 258233931 WDQMPQQHEQADFC-RXMQYKEDSA-N 206.619 2.542 0 50 BFAA O=C(C1CC(F)(F)C1)N1CCCC12CCC2 336059268 JTJIMFBQEWSFCY-UHFFFAOYSA-N 229.270 2.577 0 50 BFAA Cc1nccc(N2CCC(c3ccco3)CC2)n1 664177992 XOMIVVGPBSRNTH-UHFFFAOYSA-N 243.310 2.762 0 50 BFAA C[C@@]1(CNc2nccc3cccnc23)CCCO1 716831831 ALOSQCBBOTZGBV-AWEZNQCLSA-N 243.310 2.611 0 50 BFAA C=CC(=O)Nc1cc(F)c(Cl)cc1OC 1353226484 UVPBTHQPPJVHCB-UHFFFAOYSA-N 229.638 2.612 0 50 BFAA FC1(F)C[C@@H]1Cn1ccnc1-c1cnsc1 1875249862 GPRSGZYGLGAYBL-MRVPVSSYSA-N 241.266 2.662 0 50 BFAA Cc1ccc(C)c2[nH]c(C(=O)N3CCC3)cc12 2325804649 BRGJIPGWGJFBRN-UHFFFAOYSA-N 228.295 2.631 0 50 BFAA O=C(O)c1ncc(Cl)c(Cl)c1Cl 139449 SKURPVMALGSJSE-UHFFFAOYSA-N 226.446 2.740 0 50 BFAA O=C1c2ccccc2C(=O)N1C1CCCCC1 235331 XUIJACXTIJMYGJ-UHFFFAOYSA-N 229.279 2.615 0 50 BFAA O=C(O)c1cccc2c1Cc1ccccc1-2 388681 HTPXFGUCAUTOEL-UHFFFAOYSA-N 210.232 2.956 0 50 BFAA in-vitro CC(=O)CC(=O)Nc1ccc(Cl)cc1C 449314 ODFRAIZRJMUPCP-UHFFFAOYSA-N 225.675 2.566 0 50 BFAA Nc1nccc(-c2cccc(C(F)(F)F)c2)n1 1390687 XHPUQDCNDMTXSO-UHFFFAOYSA-N 239.200 2.745 0 50 BFAA O=C(O)/C=C/c1ccc(F)c(Cl)c1 2575003 OYFKFZBXVYKVCD-DUXPYHPUSA-N 200.596 2.577 0 50 BFAA in-vitro CCCCOC(=O)C(F)(F)C(F)(F)F 2576919 DUTTZBRMOIAYKM-UHFFFAOYSA-N 220.137 2.527 0 50 BFAA biogenic,in-vitro CC(C)n1c2ccccc2c2nnc(S)nc21 3346304 LQMNINODHMLFGQ-UHFFFAOYSA-N 244.323 2.849 0 50 BFAA COc1ccc(C[C@@H](CN)c2ccccc2)cc1 5023221 VELZFQMCEACGTF-HNNXBMFYSA-N 241.334 2.980 0 50 BFAA O=C(O)c1ccc(-c2ccc(F)cc2)cn1 8698453 BVDMIKPXCXAARR-UHFFFAOYSA-N 217.199 2.586 0 50 BFAA in-vitro CCCc1nc2ccccc2n1CCOC 13018338 VJGZPUGGCGWLQB-UHFFFAOYSA-N 218.300 2.635 0 50 BFAA C1=CC[C@@H](c2nc(Cc3cccnc3)no2)CC1 20119766 MHVLHUMWYUTSJZ-GFCCVEGCSA-N 241.294 2.879 0 50 BFAA O=C(O)COc1cccc(-c2ccccc2)c1 32015525 YOVGQDYNEVRBDW-UHFFFAOYSA-N 228.247 2.817 0 50 BFAA O[C@H](c1ccc(Cl)s1)C(F)(F)F 40257574 JUGNSURGNNBXHS-RXMQYKEDSA-N 216.611 2.997 0 50 BFAA CCCCOc1ccc(OC(=O)NC)cc1 71774157 DDBBWBHJQVDNHM-UHFFFAOYSA-N 223.272 2.584 0 50 BFAA c1csc(-c2nccn2C[C@H]2CCCO2)c1 129208580 JRNSIOGFWLCXNK-SNVBAGLBSA-N 234.324 2.791 0 50 BFAA Fc1cc2nccnc2cc1Br 161719537 ZLMXEQNQJFSIMI-UHFFFAOYSA-N 227.036 2.531 0 50 BFAA C[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1ccon1 247566683 RIDCMWWEBZUAEV-NQBHXWOUSA-N 220.316 2.828 0 50 BFAA CC[C@@H]1COCc2nnc(-c3ccccc3C)n21 2100544590 AFJIXFKVTUKYOU-LLVKDONJSA-N 243.310 2.735 0 50 BFAA Fc1ccc(CCc2noc3c2COCC3)cc1 2325871199 BGYRKYXJOQCDDO-UHFFFAOYSA-N 247.269 2.672 0 50 BFAA CC[C@H](C)c1ccc(NS(C)(=O)=O)cc1 29515 VJWRIEFAIWFTHG-VIFPVBQESA-N 227.329 2.572 0 50 BFAA CCOc1ccc2c(C)cc(=O)oc2c1 57722 NKRISXMDKXBVRJ-UHFFFAOYSA-N 204.225 2.500 0 50 BFAA endogenous,in-man Cc1noc(C)c1C(=O)Nc1ccccc1 111867 JLLUFHRXVWCNOJ-UHFFFAOYSA-N 216.240 2.544 0 50 BFAA O=C(Nc1cccc(O)c1)c1ccccc1 362991 SYNOBHNBCHZOHG-UHFFFAOYSA-N 213.236 2.645 0 50 BFAA in-vitro COC(=O)/C=C/c1cc2ccccc2o1 1392014 AEIWLZWROAICTP-VOTSOKGWSA-N 202.209 2.619 0 50 BFAA O[C@@H](CNCCc1ccccc1)c1ccccc1 2014750 LXTNZWGUMORTKT-INIZCTEOSA-N 241.334 2.552 0 50 BFAA NNc1ccc(Br)c2ccccc12 2533966 GZPWPJCVHJJOEV-UHFFFAOYSA-N 237.100 2.888 0 50 BFAA Cc1c(Cl)ccc2cc(C(=O)O)[nH]c12 3748655 JJHFWFJPRJVRAW-UHFFFAOYSA-N 209.632 2.828 0 50 BFAA in-vitro Cc1cc(C)c2c(CC(=O)N(C)C)coc2c1 4810787 VPDAFQFYDJNWHQ-UHFFFAOYSA-N 231.295 2.680 0 50 BFAA Cc1ccc(NC(=O)CN2CCCCC2)cc1C 5051467 OBQZYQIULHCLPP-UHFFFAOYSA-N 246.354 2.728 0 50 BFAA CC(C)(C)c1noc(CCc2ccc(O)cc2)n1 20994728 ZELZNSBAEUQHDL-UHFFFAOYSA-N 246.310 2.858 0 50 BFAA COP(=O)(Cc1ccc(F)cc1)OC 60257716 PXRXOCSAKCSLKQ-UHFFFAOYSA-N 218.164 2.812 0 50 BFAA in-vitro CS[C@@H](C)CCN(C)Cc1ncccc1C 67787796 JJMIRTOJFCLVIN-LBPRGKRZSA-N 238.400 2.963 0 50 BFAA Nc1nnc(-c2ccccc2-c2ccccc2)o1 71773201 FRVNSYFJFQZZNX-UHFFFAOYSA-N 237.262 2.986 0 50 BFAA Fc1c(Br)cccc1CNC1CC1 85476893 FQSRUMNYJAMSEC-UHFFFAOYSA-N 244.107 2.840 0 50 BFAA in-vitro COC(=O)[C@H](C)SC(=S)c1ccccc1 86012997 WPFPXUQEUXJYHU-QMMMGPOBSA-N 240.349 2.657 0 50 BFAA CCOC(=O)/C=C\c1cccc(OCC)c1 90461277 HCKOJKUUNSOANP-HJWRWDBZSA-N 220.268 2.662 0 50 BFAA CCC[C@H]1CCC(=O)[C@@H](C(=O)C(C)C)C1 112750725 JZHIEWWMIAUPCM-QWRGUYRKSA-N 210.317 2.997 0 50 BFAA CN(C)c1cc(C=O)c(O)c(C(C)(C)C)c1 196159401 SCLRWGYYHXSHRL-UHFFFAOYSA-N 221.300 2.568 0 50 BFAA CC[C@H](c1ccccc1)[C@H]1CCCN1CC(=O)O 236908178 LSXKWPWKWQZJNU-ZIAGYGMSSA-N 247.338 2.729 0 50 BFAA Nc1cc(F)c2ncc(Br)cc2c1 238602241 VHDCVYMFTYLNCK-UHFFFAOYSA-N 241.063 2.719 0 50 BFAA in-vitro O=C(O)c1c[nH]c(-c2ccc(F)cc2)c1 238716413 XXCHUYBQDIUUCH-UHFFFAOYSA-N 205.188 2.519 0 50 BFAA in-vitro c1cncc([C@H]2CCCN2Cc2nccs2)c1 336315974 XTUBARVKVZTRTN-GFCCVEGCSA-N 245.351 2.875 0 50 BFAA FC(F)c1nnc(N2C[C@H]3CCC[C@@H]3C2)s1 336499386 WDDIDEUBWPAWJM-RNFRBKRXSA-N 245.298 2.712 0 50 BFAA Cc1ccc(F)c(NCc2cc(C)n(C)n2)c1 349730759 UJHFQVPKWNQLNV-UHFFFAOYSA-N 233.290 2.788 0 50 BFAA CCCC[C@@H](C)N(C)c1ncnc2[nH]ccc12 357817618 NSUMVJDSCYNWCA-SNVBAGLBSA-N 232.331 2.973 0 50 BFAA CC(C)N1CC[C@@H](n2cc3ccccc3n2)C1 371575188 ZRBVAZRGPMKLTG-CYBMUJFWSA-N 229.327 2.692 0 50 BFAA C/C(=C(/F)c1nc(-c2ccn(C)n2)no1)C1CC1 952883032 PRVSOKVXSHGORU-YFHOEESVSA-N 248.261 2.581 0 50 BFAA COC(=O)c1cc2c(nc1Cl)[C@H](C)CCC2 1775970107 BIUYDJCAZCGZPM-SSDOTTSWSA-N 239.702 2.961 0 50 BFAA CCS[C@@H](C)c1nc(O)c(F)c(CC)n1 1776004190 OIIXTIJAAAFWTA-LURJTMIESA-N 230.308 2.698 0 50 BFAA c1cncc(Cn2ccnc2C2CCCC2)c1 1875245218 PZRWBHZFJNGGTP-UHFFFAOYSA-N 227.311 2.984 0 50 BFAA NCc1sc(Cl)cc1Br 1875286279 OZRAMSSVVJWMQQ-UHFFFAOYSA-N 226.526 2.623 0 50 BFAA CC(=O)NCC1(C(F)(F)F)CCCCC1 1875297755 CJIPUOOSFFNARA-UHFFFAOYSA-N 223.238 2.635 0 50 BFAA O=C(O)CSc1ccc(F)cc1Cl 131938 VMCXMJQJLXZIIJ-UHFFFAOYSA-N 220.652 2.656 0 50 BFAA Oc1ccc(N2Cc3ccccc3C2)cc1 205456 DFNOLMHJSPCGNX-UHFFFAOYSA-N 211.264 2.912 0 50 BFAA Oc1ccc(Cc2nc3ccccc3[nH]2)cc1 227396 BGTLUMBJNNLMAH-UHFFFAOYSA-N 224.263 2.859 0 50 BFAA CCC(=O)Nc1cc(OC)c(Cl)c(OC)c1 398551 USKHFBDRJWEYFZ-UHFFFAOYSA-N 243.690 2.706 0 50 BFAA COc1ccc(CCC(=O)NC2CCCC2)cc1 460599 DLFGXUCTWFRLTB-UHFFFAOYSA-N 247.338 2.687 0 50 BFAA O[C@]12CCCC[C@H]1[C@H](c1ccc(F)cc1)NCC2 533894 DQJVTBCKCFMOEZ-KKUMJFAQSA-N 249.329 2.781 0 50 BFAA Brc1ccc(-n2cccc2)nc1 1036350 FFSASABTRPXORW-UHFFFAOYSA-N 223.073 2.635 0 50 BFAA CCn1cc(CCC(=O)O)c2ccccc21 4384343 SILYAVVCDYJNHK-UHFFFAOYSA-N 217.268 2.678 0 50 BFAA COc1ccc([C@H](O)c2ccccc2OC)cc1 5360499 PZTCHFCMZOXVNP-HNNXBMFYSA-N 244.290 2.786 0 50 BFAA CCCc1nnc(S)n1-c1ccccc1OC 6391603 VMAYBIRMYLQWPK-UHFFFAOYSA-N 249.339 2.517 0 50 BFAA CCc1ccc([C@H](C)NC(=O)[C@H]2CCCO2)cc1 6698189 CRKWRKJYTWXEFR-SMDDNHRTSA-N 247.338 2.605 0 50 BFAA OCc1cc(-c2ccccc2)ccc1O 15799500 BKSUNIAMWIOSTH-UHFFFAOYSA-N 200.237 2.552 0 50 BFAA Nc1cc(C(=O)Nc2cccnc2)ccc1Cl 22141581 VFZYHSZKYVRDDP-UHFFFAOYSA-N 247.685 2.570 0 50 BFAA C[C@H]1CN(Cc2cc(F)ccc2F)C[C@@H](C)O1 23280376 QKXZECVENBQXPC-AOOOYVTPSA-N 241.281 2.574 0 50 BFAA CC(C)(C)OC(=O)Nc1cc(F)c(F)cc1N 76859312 NYKTXVPUGXBLOK-UHFFFAOYSA-N 244.241 2.894 0 50 BFAA O=C(c1ccc[nH]1)N1CCC[C@@H]1C1CCCC1 132680105 LHLBNQDZMBQDEH-CYBMUJFWSA-N 232.327 2.810 0 50 BFAA CCC(CC)(CN[C@@H]1CC[C@@H](C)C1)C(=O)O 263061114 MVDCRSGIRHZYEJ-GHMZBOCLSA-N 227.348 2.656 0 50 BFAA Cn1ccc(CN2CCC[C@H]2c2cccnc2)c1 335149166 JABSYWFCDVTOCE-HNNXBMFYSA-N 241.338 2.757 0 50 BFAA c1cc(-c2ccc(N3CCCC3)nn2)cs1 426526458 QJJJZTVMIQUPMY-UHFFFAOYSA-N 231.324 2.805 0 50 BFAA C=CC(=O)N1c2ccc(Cl)cc2C[C@H]1C 1120772473 LFYKVBIGCAZARW-MRVPVSSYSA-N 221.687 2.804 0 50 BFAA C[C@]12C[C@@H]1CN(C(=O)c1c[nH]c3ccccc13)C2 1772806062 YHSSBWGMJXEUMI-MEBBXXQBSA-N 240.306 2.650 0 50 BFAA OCc1noc(-c2ccc(Cl)c(Cl)c2)n1 76777 SHVXQHKUAJGNBL-UHFFFAOYSA-N 245.065 2.536 0 50 BFAA C1=N[C@@H](c2ccccc2)C(c2ccccc2)=NN1 185579 GTBHCDUCDCRFSO-AWEZNQCLSA-N 235.290 2.764 0 50 BFAA OCCN(Cc1ccccc1)Cc1ccsc1 216314 KWZPSTIDYHWOHS-UHFFFAOYSA-N 247.363 2.743 0 50 BFAA c1ccc(CC[C@H]2CCCCC23OCCO3)nc1 399770 HUHZMHBFEVJWJJ-CYBMUJFWSA-N 247.338 2.948 0 50 BFAA Cc1nc(C(=O)O)c(-c2ccccc2)s1 541090 IUPHMHDVSPSLME-UHFFFAOYSA-N 219.265 2.817 0 50 BFAA in-vitro Nc1nnc(/C=C/c2ccccc2Cl)s1 4499428 YPGMOJZDPBVHJE-AATRIKPKSA-N 237.715 2.944 0 50 BFAA Cc1ccc(C(=O)O)cc1NCc1ccccn1 4935134 GPDLJUAQYBFOMJ-UHFFFAOYSA-N 242.278 2.700 0 50 BFAA COC(=O)c1ccccc1-c1ccc(C=O)cc1 6380065 MNUSHZDUHWBMSZ-UHFFFAOYSA-N 240.258 2.953 0 50 BFAA in-vitro CCCCC1CCC(c2nc(N)n[nH]2)CC1 10151855 SVODTQLYKIZMKG-UHFFFAOYSA-N 222.336 2.851 0 50 BFAA Nc1n[nH]cc1-c1cccc2ccccc12 12404983 LGCKPABYBBJROE-UHFFFAOYSA-N 209.252 2.812 0 50 BFAA in-vitro Clc1ccc2ncc(-c3cc[nH]n3)nc2c1 20536862 ALLFISONUKAVQG-UHFFFAOYSA-N 230.658 2.673 0 50 BFAA Cc1c(C=O)cnn1-c1ccc(Cl)cc1 48218279 YFSKCOZZIGKODR-UHFFFAOYSA-N 220.659 2.647 0 50 BFAA O=C(OC1CC(F)(F)C1)c1ccccc1 67173999 MHWHRWBARKVNBB-UHFFFAOYSA-N 212.195 2.641 0 50 BFAA in-vitro O=Cc1cc(F)c(OCC(F)(F)F)c(F)c1 85873708 RJWIPMRNBRXFOX-UHFFFAOYSA-N 240.127 2.718 0 50 BFAA OCCCc1cc(-c2ccc(Cl)cc2)no1 95100056 BSYFGNGNUSOUMA-UHFFFAOYSA-N 237.686 2.920 0 50 BFAA in-vitro CC1(C)[C@@H]2C[C@@H]1CC=C(Br)[C@H]2O 101139988 PFZOIQPVBHYHBX-OOZYFLPDSA-N 231.133 2.692 0 50 BFAA Nc1nc2c(Cl)cccc2n1CC(F)(F)F 163143445 YNOWPSKNEWCZBD-UHFFFAOYSA-N 249.623 2.834 0 50 BFAA CCc1ccc(Br)c(C=O)c1 200803350 VDLUZFBNGFMDHI-UHFFFAOYSA-N 213.074 2.824 0 50 BFAA Cc1cccc(NC(=O)N[C@H]2CCC2(C)C)n1 287322265 XONWCIFYHOSHKO-JTQLQIEISA-N 233.315 2.700 0 50 BFAA COC[C@H]1CCN1C/C(C)=C/c1ccccc1 293792381 ZZRKMRQJAMWBID-NRMKIYEFSA-N 231.339 2.811 0 50 BFAA CCOc1ccc(-c2cc(CO)ncc2F)cc1 426510626 MJQOVIGULVLORQ-UHFFFAOYSA-N 247.269 2.779 0 50 BFAA C=CC(=O)N1CCSC[C@H]1c1cccs1 1616044729 LENMWVMILKGWDH-VIFPVBQESA-N 239.365 2.551 0 50 BFAA Cn1cc(C(=O)Nc2cccc(C3CC3)c2)cn1 1875299678 RQTANSWKGZUBRQ-UHFFFAOYSA-N 241.294 2.550 0 50 BFAA Cc1c(C(C)C)c(=O)n(-c2ccccc2)n1C 49151 PXWLVJLKJGVOKE-UHFFFAOYSA-N 230.311 2.608 0 50 BFAA biogenic,world Cc1ccc(C)c(NC(=O)c2ccncc2)c1 388030 DCAXSXXMJJNHKP-UHFFFAOYSA-N 226.279 2.951 0 50 BFAA CNCCOc1cc(C)c(Cl)c(C)c1 2845198 KFBLIIODQAGWJN-UHFFFAOYSA-N 213.708 2.555 0 50 BFAA CC(C)CCNCc1ccc2c(c1)OCCO2 12382219 KTAJUBCXISRBCL-UHFFFAOYSA-N 235.327 2.594 0 50 BFAA C[C@@H](N)c1cnc(-c2ccccc2)s1 22864233 HFIJTXCXAHAASJ-MRVPVSSYSA-N 204.298 2.830 0 50 BFAA COc1cc(-c2ccc(C(=O)O)cc2)ccc1O 65342513 PIPNZBIJJWCSCS-UHFFFAOYSA-N 244.246 2.766 0 50 BFAA Cc1cc(Nc2nc(Cl)ncc2Cl)n[nH]1 66351904 QXEYORGOYODCOD-UHFFFAOYSA-N 244.085 2.559 0 50 BFAA in-vitro CCc1cc(N)ccc1Br 67794653 KWQNNOZROOJVJB-UHFFFAOYSA-N 200.079 2.594 0 50 BFAA Fc1cccc(-c2c[nH]nc2[C@H]2CCCNC2)c1 72379963 SVFIYNBZPNQDET-NSHDSACASA-N 245.301 2.683 0 50 BFAA CC1(C)[C@H]2CCCC[C@H]2[C@H]1NCCn1ccnc1 121777844 ZCRCQHNNNWENIG-HZSPNIEDSA-N 247.386 2.688 0 50 BFAA O=C(Nc1ccc2cnccc2c1)C1CC1 148935811 CUCWTFBYZQTHGK-UHFFFAOYSA-N 212.252 2.583 0 50 BFAA CC(C)C(=O)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12 250685199 DOXNXXJZUSALRE-QNWJLWSRSA-N 221.344 2.583 0 50 BFAA O=C(O)Cc1cccc(-c2cncc(F)c2)c1 313578044 ZRTDQRAWBJZWEV-UHFFFAOYSA-N 231.226 2.515 0 50 BFAA Fc1cnc(-c2ccc(F)c3cccnc23)nc1 426513610 IAOHVOVSXDNGLA-UHFFFAOYSA-N 243.216 2.970 0 50 BFAA C[C@H](NCC1(C(=O)O)CC1)[C@@H](C)c1ccccc1 577069535 KGPHEDSSEXBDJB-NEPJUHHUSA-N 247.338 2.633 0 50 BFAA CC1CC(N=c2[nH]c(-c3ccccn3)cs2)C1 1875280499 PTBPZRLQLFSDKB-UHFFFAOYSA-N 245.351 2.837 0 50 BFAA c1ccc(-c2noc(-c3cccs3)n2)nc1 78566 HTPIMDPZUZKGKN-UHFFFAOYSA-N 229.264 2.860 0 50 BFAA O=C(OCC(=O)c1cccs1)c1ccccc1 443462 WTRJBRYIHAPCFN-UHFFFAOYSA-N 246.287 2.788 0 50 BFAA CN(C)CCOC(=O)c1ccc(C(C)(C)C)cc1 460228 ZLARGZZWYPFZCG-UHFFFAOYSA-N 249.354 2.703 0 50 BFAA O=CC(=O)c1ccc(-c2ccccc2)cc1 1684597 ZISUOZSNZBKYOT-UHFFFAOYSA-N 210.232 2.735 0 50 BFAA in-vitro Cc1cc2occ(CC(=O)O)c2cc1C 2650732 KRNWPUWNPFJHAM-UHFFFAOYSA-N 204.225 2.677 0 50 BFAA in-vitro O=C(Cc1ccccc1)NC=C(Cl)Cl 3129827 CBJIURPYPJUDNU-UHFFFAOYSA-N 230.094 2.622 0 50 BFAA Cc1ccc(OCCNC(=O)C(C)(C)C)cc1 5545280 RHAXMINJEGGJCG-UHFFFAOYSA-N 235.327 2.536 0 50 BFAA CC(=O)c1cnc(Nc2ccccc2)nc1C 9096639 BEMPXOFPXGKMEP-UHFFFAOYSA-N 227.267 2.731 0 50 BFAA Cc1ccc(NC(=S)Nc2ccn(C)n2)cc1 10846849 FEXZTWAUPGNOPY-UHFFFAOYSA-N 246.339 2.537 0 50 BFAA Cc1ccc(Br)c(C)c1N 39291175 HRRMPGSFIAVSNM-UHFFFAOYSA-N 200.079 2.648 0 50 BFAA in-vitro Clc1cccc(N2CCCNCC2)c1Cl 43461278 RXVUMNWVTXKGCT-UHFFFAOYSA-N 245.153 2.793 0 50 BFAA CCOC(=O)[C@@H](C)Sc1ccccc1OC 43638361 ZJAQKSDRPNCVSP-SECBINFHSA-N 240.324 2.739 0 50 BFAA C[C@@H](COc1ccccc1)NC(=O)C(C)(C)C 55731343 OXKYHHQGGVMYEQ-NSHDSACASA-N 235.327 2.616 0 50 BFAA COc1ccc(Nc2cccc(CN)c2)cc1 66347942 RWRQJZPZLQGQAK-UHFFFAOYSA-N 228.295 2.898 0 50 BFAA in-vitro Oc1cc2ccc(Br)cc2cn1 71621022 BRRWUDMFAZPPKR-UHFFFAOYSA-N 224.057 2.703 0 50 BFAA in-vitro CN(c1ccccc1)c1ccccc1NC(N)=O 71774245 LUQARIJUDQNRNP-UHFFFAOYSA-N 241.294 2.945 0 50 BFAA CN(CCOc1ccccc1)C1CCC1 96027547 ZGVCBTKWCFWMFB-UHFFFAOYSA-N 205.301 2.550 0 50 BFAA COC(=O)C[C@H](c1cccc(O)c1)C1CCC1 140660377 RCMHMWBFRCPMEX-ZDUSSCGKSA-N 234.295 2.839 0 50 BFAA Cc1nc2ccccc2nc1S[C@@H]1CCOC1 188293133 LGZNLTSVLPYTBK-SNVBAGLBSA-N 246.335 2.819 0 50 BFAA Cc1c(N[C@H]2CCO[C@@H]2C)cnn1C1CCCC1 195456709 PPBAZISJLKBGBZ-YPMHNXCESA-N 249.358 2.896 0 50 BFAA COCCCSCc1ncc(C)s1 195571495 WCUKICRTTYDYOP-UHFFFAOYSA-N 217.359 2.721 0 50 BFAA COc1ccc(C)c(C=O)c1Br 216379306 ZKJZDXDLMOOGDO-UHFFFAOYSA-N 229.073 2.579 0 50 BFAA C[C@@H]1CN(c2ccccn2)CCC1(F)F 291193209 SYITZAQJCDTKLN-SECBINFHSA-N 212.243 2.563 0 50 BFAA Fc1ccccc1CCCNC1CCOCC1 355606417 KUKHKKIRMQOAQT-UHFFFAOYSA-N 237.318 2.527 0 50 BFAA C=CC(=O)N[C@H]1c2cccc(F)c2CC[C@@H]1C 791380404 QPJRATHUJYSWIM-LKFCYVNXSA-N 233.286 2.751 0 50 BFAA O=C(Nc1ccc(F)nc1)N1CC[C@H]2CCC[C@@H]21 1875263771 IPRMPNKKWNCCPM-KOLCDFICSA-N 249.289 2.627 0 50 BFAA Cn1ccc(-c2ocnc2Cc2ccccc2)n1 2356141246 ZNQUKUZZFUFZDU-UHFFFAOYSA-N 239.278 2.666 0 50 BFAA C[C@@H](Oc1ccccc1)C(=O)N1CCCCCC1 30747 VWAAHLGLSXESJF-CYBMUJFWSA-N 247.338 2.857 0 50 BFAA OC[C@@H]1CCCN(Cc2ccccc2Cl)C1 210758 IFURXIJGANSXOV-LLVKDONJSA-N 239.746 2.544 0 50 BFAA C[C@@H](Nc1cccc(C(F)(F)F)c1)C(=O)O 336450 LZAHVZDWIJLOLZ-ZCFIWIBFSA-N 233.189 2.590 0 50 BFAA O=Cc1c(-c2ccccc2)nc2ccccn12 337535 GDQWGRMPXASNTI-UHFFFAOYSA-N 222.247 2.814 0 50 BFAA in-vitro COc1cc(C(=O)O)ccc1OCCC(C)C 347877 ZQKSBWFZSKQIQU-UHFFFAOYSA-N 238.283 2.818 0 50 BFAA CCCNS(=O)(=O)c1ccc2ccccc2c1 1599001 TVRBYADTSMCGFW-UHFFFAOYSA-N 249.335 2.528 0 50 BFAA CN(C)CCC(=O)c1cccc2ccccc12 1724546 CXDXSNWZXJVDMC-UHFFFAOYSA-N 227.307 2.974 0 50 BFAA in-vitro CC(C)(C)OC(=O)NCCCCCCC(=O)O 2597017 HJENAZQPOGVAEK-UHFFFAOYSA-N 245.319 2.546 0 50 BFAA biogenic,in-vitro CC(C)CN[C@H](C)CCCC(C)(C)O 4728657 XQYGYFPCJYWXTF-LLVKDONJSA-N 201.354 2.562 0 50 BFAA CCOc1ccc(OCCN2CCCCC2)cc1 4845164 AXTOVCMQKWXACG-UHFFFAOYSA-N 249.354 2.950 0 50 BFAA CCCOC(=O)c1c(N)sc(C)c1CC 5793448 VDHFCUASJUAIOW-UHFFFAOYSA-N 227.329 2.768 0 50 BFAA Cc1ccc(O[C@@H](C)C(=O)N2CCCC2)cc1C 8498670 OOWFFMDEZKWGFZ-ZDUSSCGKSA-N 247.338 2.693 0 50 BFAA Cc1c(-c2ccccc2)sc2nc[nH]c(=O)c12 8616720 CTVQYCYDAHDMBF-UHFFFAOYSA-N 242.303 2.960 0 50 BFAA in-vitro CCc1ccc(C(=O)N[C@H](C)[C@H]2CCCO2)cc1 16604365 NJHCZZOEUKTJAV-BXUZGUMPSA-N 247.338 2.546 0 50 BFAA C[C@H](O)CCc1nc2cc(Cl)ccc2[nH]1 26462094 ANEHHLDOZYEWQV-ZETCQYMHSA-N 224.691 2.530 0 50 BFAA Clc1nccnc1Cc1ccccc1 32235773 ZBOJSNPGBJMUSG-UHFFFAOYSA-N 204.660 2.721 0 50 BFAA CN(C)C(=O)c1cccc(-c2ccc(O)cc2)c1 65340089 KLLWGJYDRRKDNX-UHFFFAOYSA-N 241.290 2.761 0 50 BFAA in-vitro Cc1cccc(C(=O)C(C)(C)N(C)C)c1 85734563 IMQXGLUSSRZKKN-UHFFFAOYSA-N 205.301 2.518 0 50 BFAA C[C@H]1OCC[C@@H]1Nc1ccc2c(c1)CCC2 134053279 BYZKJCJRXJLASJ-YGRLFVJLSA-N 217.312 2.765 0 50 BFAA Cc1cccc(-c2nc(C3CCC3)n[nH]2)c1N 170614845 OLJCIKRGEDRESL-UHFFFAOYSA-N 228.299 2.630 0 50 BFAA Cc1ccc(-c2ncnc3sccc23)c(N)n1 200499887 MJITVFQIUSYYFJ-UHFFFAOYSA-N 242.307 2.644 0 50 BFAA NCc1ncsc1-c1ccc(Cl)cc1 221874513 SFLASQDGGDLYOF-UHFFFAOYSA-N 224.716 2.922 0 50 BFAA COc1ccnc(N2CCC[C@@H](C(C)C)CC2)n1 301292455 NYZXEWWJMYIKOH-GFCCVEGCSA-N 249.358 2.748 0 50 BFAA CCO[C@H](C)c1nc(-c2cc(C)cc(C)n2)no1 330912915 REAKUOWZVJVDNN-SNVBAGLBSA-N 247.298 2.846 0 50 BFAA c1ccc2c(N[C@H]3[C@H]4CCC[C@H]43)ncnc2c1 582641408 ILNGLGFFXOKZLZ-DDFAGTSDSA-N 225.295 2.840 0 50 BFAA CC(C)N(C)C(=O)c1ccsc1Cl 666039141 PCGSYDWNQSHORX-UHFFFAOYSA-N 217.721 2.882 0 50 BFAA CCSC[C@H](C)N1CCC(C(C)(C)O)CC1 670458324 MXBUWCXRFRSJFB-NSHDSACASA-N 245.432 2.611 0 50 BFAA COc1c(Cl)cc(C(=O)O)c2ncccc12 1772716084 OFXZXPWOEFQCHQ-UHFFFAOYSA-N 237.642 2.595 0 50 BFAA O=C(NCCc1ccccc1)c1cccs1 139400 SVHHJXHDSWNWNG-UHFFFAOYSA-N 231.320 2.721 0 50 BFAA Cc1ccc2nc(NC(=O)C3CC3)sc2c1 318110 VGAAFFCTEWXZHO-UHFFFAOYSA-N 232.308 2.953 0 50 BFAA CCCC(=O)NC(=O)Nc1ccc(Cl)cc1 400476 LEQKHOCVXIMYQA-UHFFFAOYSA-N 240.690 2.788 0 50 BFAA CC(C)(C)OC(=O)NCCCCCCCCN 2389758 BEHVGNKIRNVBPF-UHFFFAOYSA-N 244.379 2.810 0 50 BFAA in-vitro c1ccc(OCCCCN2CCCC2)cc1 2493435 BVIDXERXVYSDGK-UHFFFAOYSA-N 219.328 2.941 0 50 BFAA CC(=O)Nc1ccc(-c2ccco2)cc1 2597191 YOUVSHSXXFRORJ-UHFFFAOYSA-N 201.225 2.905 0 50 BFAA biogenic OC[C@@H](c1ccccc1)c1ccccc1O 4824046 MKKQQHGJBDZKPX-ZDUSSCGKSA-N 214.264 2.516 0 50 BFAA CNCc1ccc(-c2ccc(F)cc2)o1 4942865 QXPNPSRZCQDODL-UHFFFAOYSA-N 205.232 2.805 0 50 BFAA C/C(=C\c1ccccc1)CN1CCCC[C@@H]1CO 4987670 MLOARWAEWHMZBV-WSYSLRRZSA-N 245.366 2.937 0 50 BFAA CC[C@H](C)Oc1c(C=O)cccc1OC 5656390 FHALBHJLYWQNFN-VIFPVBQESA-N 208.257 2.685 0 50 BFAA in-vitro Cc1ccccc1NC(=O)N[C@H](C)[C@H]1CCCO1 6726194 DHHJFEJPNKVFIM-DGCLKSJQSA-N 248.326 2.684 0 50 BFAA O=c1nc2ccccc2c(-c2ccccc2)[nH]1 15446030 FHUBTSLLILWICW-UHFFFAOYSA-N 222.247 2.590 0 50 BFAA in-vitro O=C(O)Cc1cc(Br)ccc1Cl 34574750 UZYYQYJXBQXUDT-UHFFFAOYSA-N 249.491 2.730 0 50 BFAA in-vitro CC(C)C1=NCCc2ccc(C=O)cc21 36372928 PWHOFJDGMLMNIH-UHFFFAOYSA-N 201.269 2.500 0 50 BFAA CC(C)c1ccc(N[C@@H]2CCCNC2)cc1 43324061 JCPLSDGUWNBIAT-CQSZACIVSA-N 218.344 2.974 0 50 BFAA COC(=O)c1ccc(C(F)(F)F)c(F)c1 44199559 NLARJSCTWHCNMQ-UHFFFAOYSA-N 222.137 2.631 0 50 BFAA in-vitro FC(F)(F)CN[C@@H]1CCCc2cccnc21 85789420 CGGVGOVSZDYEAI-SECBINFHSA-N 230.233 2.611 0 50 BFAA in-vitro CC(C)CCNC[C@H]1COc2ccccc2C1=O 96026763 WDWOLIIIPGSHQH-LBPRGKRZSA-N 247.338 2.514 0 50 BFAA O=Cc1cc(F)ccc1N1CCCC(F)(F)C1 169725251 UGHQJRPOZRAPAU-UHFFFAOYSA-N 243.228 2.874 0 50 BFAA C[Si](C)(C)/C=C\S(=O)(=O)c1ccccc1 169828917 OAFHXIYOGFKWQE-KTKRTIGZSA-N 240.400 2.851 0 50 BFAA Cc1ccc([C@H](C)Nc2nc(C)cnc2C)cn1 200550511 PFCSMIXQHJSRHW-NSHDSACASA-N 242.326 2.970 0 50 BFAA Cc1ccc(CN(C)CCn2ccnc2C)s1 215367157 OIDSBUMUPNNMIX-UHFFFAOYSA-N 249.383 2.693 0 50 BFAA CC(C)(C)[C@@]12C=C[C@]1(C(C)(C)C)C(=O)[C@@]2(C)O 257371674 PGVKVVAMESVVFG-RBSFLKMASA-N 236.355 2.955 0 50 BFAA c1nc(N2CC[C@@H](CC3CC3)C2)c2cc[nH]c2n1 334733560 ZLBABUJWJKQGSW-NSHDSACASA-N 242.326 2.584 0 50 BFAA Cc1nnc(CNc2cccc(F)c2)s1 335691629 OCGNCGJVGCPNNN-UHFFFAOYSA-N 223.276 2.598 0 50 BFAA COc1ccc(-c2cc(C)[nH]n2)c2cccnc12 426361290 NHGGQDJMZABMKE-UHFFFAOYSA-N 239.278 2.942 0 50 BFAA CC[C@H](OC)C(=O)NC1(c2ccccc2C)CC1 648467918 RAWYBSVTHIDIQQ-ZDUSSCGKSA-N 247.338 2.525 0 50 BFAA CCc1nn(C)cc1-c1cc(F)ccc1OC 1506419675 IASJKDPUSAWRGY-UHFFFAOYSA-N 234.274 2.797 0 50 BFAA CC(C)(CCCCC(C)(C)C(=O)O)C(=O)O 2152327 HTGDDXZLPDBWRI-UHFFFAOYSA-N 230.304 2.768 0 50 BFAA OC[C@H](NCc1ccccc1)c1ccccc1 2568257 FTFBWZQHBTVPEO-HNNXBMFYSA-N 227.307 2.510 0 50 BFAA in-vitro CN1CCC(N(C)C2CCCCCC2)CC1 4989196 NYMLSCBJKUQAAZ-UHFFFAOYSA-N 224.392 2.735 0 50 BFAA CCCCc1ccc(Nc2nncc(O)n2)cc1 8913877 LJKZGDGZVPTQHD-UHFFFAOYSA-N 244.298 2.663 0 50 BFAA CCCC(=O)c1cn(CC(=O)O)c2ccccc12 9192180 MWJZDOGFNNCVNW-UHFFFAOYSA-N 245.278 2.709 0 50 BFAA COc1ccccc1Nc1nc(C)cc(C)n1 9411252 SACRLESGJIHCMH-UHFFFAOYSA-N 229.283 2.846 0 50 BFAA CC(=O)c1ccc(OCC(F)(F)F)cc1 19503000 WLTPFXQNFLAKQT-UHFFFAOYSA-N 218.174 2.830 0 50 BFAA in-vitro Cc1cc(C)n(-c2cccc(Cl)n2)n1 38537445 BTWMIOGUELFRMZ-UHFFFAOYSA-N 207.664 2.538 0 50 BFAA in-vitro Cc1nc(CN)cc(N[C@@H](C)C2CCCCC2)n1 67757254 DGWCFHMJQRESET-JTQLQIEISA-N 248.374 2.624 0 50 BFAA CSCCCNC(=O)[C@H]1CCc2ccccc21 216283600 SIJMXKAZQPKCRO-ZDUSSCGKSA-N 249.379 2.586 0 50 BFAA C[C@@H]1CCC[C@@H](CCN2CCC[C@@H]2C(=O)O)C1 237580590 OMAFQQGOPKTRBJ-FRRDWIJNSA-N 239.359 2.752 0 50 BFAA COc1cnc2cc(Cl)ccc2c1O 238374346 HGKQQHSIEWOSNI-UHFFFAOYSA-N 209.632 2.602 0 50 BFAA Cc1cc(F)c(N)c(Br)c1F 390824778 QGIMUCTUHSVKRC-UHFFFAOYSA-N 222.032 2.618 0 50 BFAA Cc1n[nH]c(C)c1-c1cc(C)c2nccn2c1 426370776 ZAVGCMGKNZZWGT-UHFFFAOYSA-N 226.283 2.650 0 50 BFAA CCC(CC)NCc1ccnc(F)c1F 675069549 IGBGEDMXUVFJCV-UHFFFAOYSA-N 214.259 2.638 0 50 BFAA CN1CCC[C@@H](CSc2ccccc2O)C1 709454932 MRIHSVWYAIJRNS-LLVKDONJSA-N 237.368 2.826 0 50 BFAA CCCC1(CNCc2cnc(OC)nc2)CCC1 1506423301 XNKOOVSCKNDGBS-UHFFFAOYSA-N 249.358 2.545 0 50 BFAA CC[C@@H](Nc1nccc(N)n1)c1ccc(C)cc1 1529133760 BGGOFSSLWLJTSJ-GFCCVEGCSA-N 242.326 2.930 0 50 BFAA c1cn([C@@H]2CCSC2)c(-c2cncs2)n1 1875251279 VJTJGLDKRANSCF-MRVPVSSYSA-N 237.353 2.685 0 50 BFAA CC(C)NC(=O)Nc1cccc(Cl)c1 293214 WSEZUTKGVGMIPL-UHFFFAOYSA-N 212.680 2.870 0 50 BFAA O=[N+]([O-])/C=C/c1cscc1Br 334100 SROBJKYKPZNFIX-OWOJBTEDSA-N 234.074 2.758 0 50 BFAA Cc1ccc(OCCn2ccnc2C)c(C)c1 462243 OTSMRWWPCAYOCP-UHFFFAOYSA-N 230.311 2.887 0 50 BFAA CC(C)(C)c1nnc2sc(-c3ccco3)nn12 2345055 MJUSEKAZUDWNEI-UHFFFAOYSA-N 248.311 2.743 0 50 BFAA COc1ccc(-c2ccc(C=O)cn2)cc1 2527548 YZDVCIURBAJHKI-UHFFFAOYSA-N 213.236 2.570 0 50 BFAA COC(=O)c1ccc(-c2ccc(C=O)o2)cc1 2565465 JHCPIIVQUDGETN-UHFFFAOYSA-N 230.219 2.546 0 50 BFAA in-vitro Cc1ccc(Cl)c(OCCN(C)C)c1C 4842413 BCUYSOVUPWBQKT-UHFFFAOYSA-N 227.735 2.897 0 50 BFAA CC(C)NC(=O)C12CC3CC(CC(C3)C1)C2 4946917 KZRDMGPQDBXOKR-UHFFFAOYSA-N 221.344 2.727 0 50 BFAA Oc1ccccc1-c1cc(C(F)(F)F)[nH]n1 13130399 OTVRWKSAXMIQRR-UHFFFAOYSA-N 228.173 2.801 0 50 BFAA CCCC(=O)Nc1ccc(NC(=O)CC)cc1 14838856 LMGVIQHVRRIKCU-UHFFFAOYSA-N 234.299 2.774 0 50 BFAA COc1ccc(CN2CCC[C@H](C)C2)cc1 16662744 VLQCJPGPBNYNND-LBPRGKRZSA-N 219.328 2.927 0 50 BFAA CC(C)(CN)c1nc2ccccc2s1 45206480 HQIWOQAXHCOMOF-UHFFFAOYSA-N 206.314 2.533 0 50 BFAA CCOC(=O)c1ncoc1C(C)(C)CC 54404430 RFACBNZRYSWQGI-UHFFFAOYSA-N 211.261 2.539 0 50 BFAA O=C(O)c1oncc1-c1ccc(Cl)cc1 82320270 KRIPMIFCHQEYRS-UHFFFAOYSA-N 223.615 2.693 0 50 BFAA O=C(NCC(F)F)Nc1ccccc1C1CC1 96148058 FECFINBPOPCGDP-UHFFFAOYSA-N 240.253 2.951 0 50 BFAA COCC(=O)Nc1ccc(C(F)(F)F)c(C)c1 174669043 XAODTZSHICMQGU-UHFFFAOYSA-N 247.216 2.599 0 50 BFAA Cc1csc(C[S@](=O)c2ccoc2C)n1 189627973 DEIMHJKGAJROPP-HNNXBMFYSA-N 241.337 2.661 0 50 BFAA Cc1nn(C)cc1-c1cnc2c(Cl)cccn12 231774512 UWTOQJCBRXHTFM-UHFFFAOYSA-N 246.701 2.697 0 50 BFAA C[C@@H](N[C@H]1/C=C/CCCCC1)c1cnn(C)c1 242273787 YFXXUAKCYHIXEP-OCCSQVGLSA-N 233.359 2.960 0 50 BFAA CCC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)OCC 242304991 YTWLYZARXLUWAX-XQQFMLRXSA-N 241.375 2.887 0 50 BFAA Cc1noc(-c2ccc3c(c2)CCC3)n1 265000169 MSAUUROESCAMBV-UHFFFAOYSA-N 200.241 2.534 0 50 BFAA Cc1ccc2n[nH]cc2c1[C@@H]1CNC[C@@H](C)C1 757216113 XSVSDLGPQNDFIA-ONGXEEELSA-N 229.327 2.584 0 50 BFAA C=CC(=O)N1CCc2c(Cl)cc(F)cc2C1 863971346 PPQWSVKACHGEKM-UHFFFAOYSA-N 239.677 2.550 0 50 BFAA CCC(=O)Nc1ccc2cncc(F)c2c1 2325815768 GFCWLCKHRPXHLR-UHFFFAOYSA-N 218.231 2.722 0 50 BFAA CCOc1ccc(-c2ncccc2O)cc1 186934 XWPRLLONNDOZNE-UHFFFAOYSA-N 215.252 2.853 0 50 BFAA biogenic CCC(=O)N[C@@H](CC)Cc1ccccc1 270692 SHSUMUHTZMVKHB-LBPRGKRZSA-N 205.301 2.534 0 50 BFAA biogenic Cc1ccc(-n2nc(C)c(C=O)c2C)cc1 333409 RUUBYKOMCHAZSW-UHFFFAOYSA-N 214.268 2.610 0 50 BFAA CN(C)c1ccc(NC(=O)C(C)(C)C)cc1 401786 DVRNFYCNZSSUTP-UHFFFAOYSA-N 220.316 2.737 0 50 BFAA CCOC(=O)c1ccc(OCC)c(OCC)c1 403445 UWWIFSJMLYCVGX-UHFFFAOYSA-N 238.283 2.661 0 50 BFAA in-vitro O=C(NCCc1ccccc1)C1CCCCC1 405867 GPUHUEHNYUSRPW-UHFFFAOYSA-N 231.339 2.926 0 50 BFAA CC(C)c1ncc([C@@H](O)c2ccccc2)n1C 525749 PBOSUJQHYYRGHM-ZDUSSCGKSA-N 230.311 2.625 0 50 BFAA CC[C@@H](C)NC(=O)COc1ccc(C)cc1C 577631 VXDGEPCGPYYMBJ-GFCCVEGCSA-N 235.327 2.597 0 50 BFAA O=C(O)/C=C/c1ccc(C(F)(F)F)cc1F 2560186 HWBLGORXWYIISR-DUXPYHPUSA-N 234.148 2.942 0 50 BFAA COP(=O)(Cc1cc(C(C)=O)oc1C)OC 2942867 BQBXIDXQXNMALB-UHFFFAOYSA-N 246.199 2.777 0 50 BFAA O=c1cc[nH]c2ccc3c(Cl)ccnc3c12 15767812 QRRDUCBRQRLLOP-UHFFFAOYSA-N 230.654 2.730 0 50 BFAA CCOC(=O)[C@@H]1CCCCN1[C@@H]1CC[C@@H](C)C1 23280856 LEPDWDXEVCKHTR-UPJWGTAASA-N 239.359 2.593 0 50 BFAA CSc1cccc(Nc2cc(C)nc(N)n2)c1 43531927 QENQHQGTAMMPDL-UHFFFAOYSA-N 246.339 2.833 0 50 BFAA Cc1ccc(N)cc1CNC(=O)OC(C)(C)C 114324294 IRABMFBCTXDXJR-UHFFFAOYSA-N 236.315 2.602 0 50 BFAA O=C(O)c1csc([C@H]2Cc3ccccc3O2)n1 126117092 NVEHYWYZSSAQOQ-SNVBAGLBSA-N 247.275 2.518 0 50 BFAA CCCn1c(C)nnc1CN(C(C)C)C(C)C 170592975 NFKFNELWUQHTGT-UHFFFAOYSA-N 238.379 2.615 0 50 BFAA CCc1noc(CN2CCC[C@@H]3CCCC[C@H]32)n1 230123275 XOCYQZCCOAOUEI-NWDGAFQWSA-N 249.358 2.787 0 50 BFAA Cc1cc(C(=O)Nc2cnn(C(C)C)c2)c(C)o1 555955772 IRJXKTPAJDYUIX-UHFFFAOYSA-N 247.298 2.926 0 50 BFAA O=C(Nc1ccc2c(c1)CCOC2)C1CCCC1 618836069 GCZOIRCFKBXPMU-UHFFFAOYSA-N 245.322 2.888 0 50 BFAA CCc1nc2snc(-c3cn[nH]c3)c2cc1C 823553633 RJZGCPPSKCCQQF-UHFFFAOYSA-N 244.323 2.952 0 50 BFAA C=CC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 863971385 QZPSTAIWTALKPD-RRFJBIMHSA-N 241.334 2.967 0 50 BFAA CC(C)n1cc(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)cn1 1529179857 FIUXOTPKXFCCKH-NTZNESFSSA-N 245.326 2.615 0 50 BFAA CCc1noc(NC(=O)c2ccsc2)c1C 1529197604 TVGKLORDPIZDFU-UHFFFAOYSA-N 236.296 2.859 0 50 BFAA CCC(CC)(NC(=O)c1ccccc1)C(C)=O 1857795681 NDSFIXRYKKBOMI-UHFFFAOYSA-N 233.311 2.564 0 50 BFAA CC1(C)CNc2ncc(Br)cc2C1 1875391499 GQGMPUXKKUURFD-UHFFFAOYSA-N 241.132 2.838 0 50 BFAA Cc1ccc(O)c(C(=O)c2ccccc2)c1 136134 OQERFUGURPLBQH-UHFFFAOYSA-N 212.248 2.932 0 50 BFAA in-vitro Cc1ccc(Cc2cnc(N)s2)cc1 146389 UNEONQFTFXDSBD-UHFFFAOYSA-N 204.298 2.625 0 50 BFAA in-vitro Cc1cccc(NC(=O)NC(C)C)c1C 396628 DXFNVIVIEHJYQT-UHFFFAOYSA-N 206.289 2.833 0 50 BFAA CNC(=O)c1ccccc1-c1ccccc1 618249 UERSZVOVPLBEHC-UHFFFAOYSA-N 211.264 2.713 0 50 BFAA COCCNC1CCC(C(C)(C)C)CC1 2498948 YLEFPHWVKPXBSN-UHFFFAOYSA-N 213.365 2.827 0 50 BFAA CC(=O)OCCCSc1ccccc1 3080812 LIBUSPCWAYYPHP-UHFFFAOYSA-N 210.298 2.732 0 50 BFAA CN(C)c1cccc([C@H]2CCCCCN2)c1 3734943 JESJGFZMYSWOAH-CQSZACIVSA-N 218.344 2.957 0 50 BFAA O=[S@]1CCCS[C@@H]1c1ccccc1 4800544 JLNVOXAMHSCFHV-GXFFZTMASA-N 212.339 2.571 0 50 BFAA CCOc1ccccc1CN1CCSCC1 4990165 IZJCFGPHHCRWAM-UHFFFAOYSA-N 237.368 2.634 0 50 BFAA CCn1c(Cc2cccs2)n[nH]c1=S 6125695 YENZXJALVSDLPE-UHFFFAOYSA-N 225.342 2.613 0 50 BFAA in-vitro COc1cccc(NC(=O)c2ccoc2C)c1 6254742 LSGPRQFQBPXXSH-UHFFFAOYSA-N 231.251 2.849 0 50 BFAA COc1cc(OC(C)C)ccc1/C=C/C(=O)O 34926245 WQLNUTUUAVRGAR-FNORWQNLSA-N 236.267 2.580 0 50 BFAA CC(=O)c1cc(Cl)ncc1Br 95704945 BQUJDHLISMYKQM-UHFFFAOYSA-N 234.480 2.700 0 50 BFAA C[C@H](O)C[C@H](C)CNC[C@@H]1CCC[C@H](C)C1 110701109 UFEFJKVUUPTTKU-XDQVBPFNSA-N 227.392 2.809 0 50 BFAA CCN1CC[C@H](NCCCC(C)C)[C@@H](C)C1 221874577 PKAFQOIFROJWGF-KBPBESRZSA-N 226.408 2.743 0 50 BFAA CCCn1nc(C)cc1NC(=O)[C@H]1CC=CCC1 1506425351 OGRXXRYLXGOESI-LBPRGKRZSA-N 247.342 2.896 0 50 BFAA CC(=O)c1ccccc1NC(=O)N(C)CC1CC1 1775988408 MLDGVWOJVOOFTE-UHFFFAOYSA-N 246.310 2.763 0 50 BFAA O=c1cc(-c2ccccc2)n(-c2ccccc2)[nH]1 185933 UDVCBWHKPVRDRP-UHFFFAOYSA-N 236.274 2.833 0 50 BFAA CCOC(=O)c1c(N)sc2c1C[C@@H](C)CC2 267468 USOZAPSHCJNFRA-ZETCQYMHSA-N 239.340 2.632 0 50 BFAA C[C@@H]1CCCCN1C(=O)c1ccc(F)c(F)c1 444561 QKPHMSFLFGGVDU-SECBINFHSA-N 239.265 2.979 0 50 BFAA Nc1nc(-c2ccccc2)cc(C(F)F)n1 758936 DMVQYRSVYZGBTB-UHFFFAOYSA-N 221.210 2.663 0 50 BFAA O=Cc1sc(N2CCCCC2)nc1Cl 2507507 PIHYBGQGFSRXQU-UHFFFAOYSA-N 230.720 2.599 0 50 BFAA in-vitro CC(C)CCNC(=O)Cn1ccc2ccccc21 4676589 XUDKVCALNHGAFR-UHFFFAOYSA-N 244.338 2.804 0 50 BFAA CCSc1nnc2c(n1)[nH]c1c(C)cccc12 6558385 HRIMBXKMKRXNLE-UHFFFAOYSA-N 244.323 2.927 0 50 BFAA O=C(Cc1ccccc1Cl)NC1CCCC1 13325927 XOCLVNVVVNTCGM-UHFFFAOYSA-N 237.730 2.941 0 50 BFAA COC(=O)CCc1ccc(Br)cc1 49588514 FKPYNBFWCSTPOT-UHFFFAOYSA-N 243.100 2.555 0 50 BFAA in-vitro N[C@@H](Cc1ccc(Cl)cc1)C(F)(F)F 67794483 OBMZKLDWSOWUMC-QMMMGPOBSA-N 223.625 2.772 0 50 BFAA OCc1ccccc1-c1ccc2[nH]ncc2c1 67883583 YPADFRZBTYKFMF-UHFFFAOYSA-N 224.263 2.722 0 50 BFAA Cc1ccc(CNC(=O)[C@H]2CC2(C)C)s1 118988134 ROEMGAQJWNDBDD-SNVBAGLBSA-N 223.341 2.719 0 50 BFAA CCN1CCC(c2nc3cccc(F)c3[nH]2)CC1 363416594 RATZTZKLVAKKCD-UHFFFAOYSA-N 247.317 2.901 0 50 BFAA Cc1cc(Cn2ccc(C(C)(C)C)n2)no1 408525314 VYGYQZNYLGKVHZ-UHFFFAOYSA-N 219.288 2.525 0 50 BFAA CC[C@H](NC1CCCC1)c1ncc(C)[nH]1 670455390 OJYXCPKAUVXUCA-NSHDSACASA-N 207.321 2.701 0 50 BFAA O=C(O)[C@]1(c2ccccc2)C[C@H]1C(F)(F)F 1772716127 RAVYEAGUSRNANS-SCZZXKLOSA-N 230.185 2.591 0 50 BFAA CC(C)Cc1csc(N[C@H]2COC[C@@H]2C)n1 1875280512 QNKLWQJZVINMIS-ONGXEEELSA-N 240.372 2.788 0 50 BFAA Cc1nc(NC2CC(F)(F)C2)nc(C)c1C 2356139909 MEBHIUMVICBYLT-UHFFFAOYSA-N 227.258 2.611 0 50 BFAA Cc1c(C(=O)NC(C)C)oc2ccccc12 248725 TWNPUQQFPVHYQE-UHFFFAOYSA-N 217.268 2.879 0 50 BFAA CCN(CC)C(=O)COc1ccccc1Cl 486851 LUTPLYUFQSLEJD-UHFFFAOYSA-N 241.718 2.587 0 50 BFAA FC(F)(F)C1=NCCNC(c2cccs2)=C1 2168613 QQUYWSPOCFAGBD-UHFFFAOYSA-N 246.257 2.696 0 50 BFAA NNc1ccnc2c(C(F)(F)F)cccc12 2564385 CJQJNVOPMJTCHC-UHFFFAOYSA-N 227.189 2.539 0 50 BFAA in-vitro Cc1ccc(C(=O)O)cc1NC(=O)CC(C)C 12030648 ZZUQMZLGKVBIQM-UHFFFAOYSA-N 235.283 2.678 0 50 BFAA CCCC(=O)Nc1ccc(F)c(F)c1F 12843526 FQYDCQBJVRSRMG-UHFFFAOYSA-N 217.190 2.843 0 50 BFAA O=Cc1ccccc1-c1cccc(CO)c1 16948364 SJWKDRUWRNQMNT-UHFFFAOYSA-N 212.248 2.658 0 50 BFAA CCCC(=O)N[C@H](C)c1ccc(C)cc1 40456242 GGHACBQAPBYVOH-LLVKDONJSA-N 205.301 2.972 0 50 BFAA CCc1nc(N(C)C)c2cc(CC)sc2n1 41090082 YSLIWFXESPVKCS-UHFFFAOYSA-N 235.356 2.882 0 50 BFAA COc1ccc(CO[C@@H]2OCCC2(C)C)cc1 43199275 RCKWNOZQJXPMEG-ZDUSSCGKSA-N 236.311 2.984 0 50 BFAA CC(=O)N[C@@H]1CCCCCCC(=O)CCCC1 43199363 NTGJGBVADPBFLF-CYBMUJFWSA-N 239.359 2.975 0 50 BFAA Cc1ccc([C@@H](O)c2ccc(O)cc2)cc1 59996055 YROLENHJECWGMN-CQSZACIVSA-N 214.264 2.782 0 50 BFAA CC(=O)Nc1cccc(-c2ccc(C(=O)O)o2)c1 67783845 QMNVAWJJKZPCGJ-UHFFFAOYSA-N 245.234 2.603 0 50 BFAA CCOC(CC[C@H](N)c1ccccc1)OCC 71772996 LWNBLMZBQGJPSY-ZDUSSCGKSA-N 237.343 2.866 0 50 BFAA Cc1csc(C(=O)c2ccccc2C(=O)O)c1 86032123 MBTWPRYRYRYDRZ-UHFFFAOYSA-N 246.287 2.986 0 50 BFAA CC(C)(C)CCN[C@H]1CCC[C@H]1CCO 188596940 JZLHZCVQJUITPZ-RYUDHWBXSA-N 213.365 2.563 0 50 BFAA O=C(C[C@@H]1C=CCC1)N1CCC(CF)CC1 334543123 FSCNRHPRYDYCDV-LLVKDONJSA-N 225.307 2.551 0 50 BFAA COCCN1CCC[C@@H]1/C=C/c1cccs1 364013343 MQEJJTPYDXMJLB-NNNHXZLVSA-N 237.368 2.872 0 50 BFAA C/C=C/C(=O)Nc1cc(F)ccc1-n1cccn1 1775988412 PZSOSAUNYZJPPV-DUXPYHPUSA-N 245.257 2.526 0 50 BFAA C=CC(=O)N[C@@H](C)Cc1ccc(Cl)s1 1875368474 TVSQQBSKLDKNHO-ZETCQYMHSA-N 229.732 2.635 0 50 BFAA CCCOc1cccc(-c2cncc(N)n2)c1 2100555596 YJUUREIAGAJIFQ-UHFFFAOYSA-N 229.283 2.515 0 50 BFAA CC[C@@H](COC)n1cc(-c2ccccc2)nn1 2325772861 ZRVCICSBAAZGPT-LBPRGKRZSA-N 231.299 2.543 0 50 BFAA CC(=O)C=C1Sc2ccccc2N1C 31236 MMGDXFPDKJNCAM-UHFFFAOYSA-N 205.282 2.659 0 50 BFAA C/C=C/C(=O)N(CC)c1ccccc1C 56427 DNTGGZPQPQTDQF-XBXARRHUSA-N 203.285 2.924 0 50 BFAA fda CCOC(=O)c1c(N)sc2c1CC[C@@H](C)C2 80932 WSOISFMHBFFWRQ-SSDOTTSWSA-N 239.340 2.632 0 50 BFAA in-vitro CCCN(CCO)Cc1cccc(Cl)c1 278423 YTJFYLBDCBTAKY-UHFFFAOYSA-N 227.735 2.544 0 50 BFAA COC(=O)c1cccc(-c2cccc(N)c2)c1 1259946 OZGKLPFPUYBIGL-UHFFFAOYSA-N 227.263 2.722 0 50 BFAA in-vitro COc1ccc(OC)c(-c2ccc(C=O)cn2)c1 2527589 KBANKAHOVCBWLE-UHFFFAOYSA-N 243.262 2.578 0 50 BFAA O=S(=O)(/C=C/C(F)(F)F)c1ccccc1 2568255 MXCAYGIFNXCLMK-VOTSOKGWSA-N 236.214 2.536 0 50 BFAA COc1ccc(NC(=O)C(C)(C)C)cc1OC 3093775 QWQHGMJUZVCGAY-UHFFFAOYSA-N 237.299 2.688 0 50 BFAA C/C(=C\c1cccc(Br)c1)C(=O)O 4529040 OGRUHQXSAHUXOT-FNORWQNLSA-N 241.084 2.937 0 50 BFAA CCOC(=O)CSCCC(F)=C(F)F 5472926 OTBIVHKZGRXXQW-UHFFFAOYSA-N 228.235 2.750 0 50 BFAA O=C(Nc1ccccc1)[C@H]1Cc2ccccc2O1 7069623 AMWXSLADMUBBGW-CQSZACIVSA-N 239.274 2.629 0 50 BFAA CC(C)(C)OC(=O)N1CCC(=O)CC12CCC2 8728698 ASCBSGNUAQKGNU-UHFFFAOYSA-N 239.315 2.509 0 50 BFAA CC(=O)c1cc(N2CCC(C)CC2)ccc1N 8730164 LOBDGMABMHFSQN-UHFFFAOYSA-N 232.327 2.708 0 50 BFAA COC(=O)c1ncoc1-c1cccc(Cl)c1 15021616 PSEFUIFASINPKU-UHFFFAOYSA-N 237.642 2.782 0 50 BFAA in-vitro O=C(Nc1ccncc1)[C@@H]1CC12CCCC2 19112825 CQOLSSNIVQBXQF-NSHDSACASA-N 216.284 2.600 0 50 BFAA Cc1ccccc1Oc1ncccc1CN 19258427 WPMSDBSEDGQRDI-UHFFFAOYSA-N 214.268 2.641 0 50 BFAA Clc1ncc(Br)c2cc[nH]c12 34606582 PIXLSAWNYQEIJG-UHFFFAOYSA-N 231.480 2.979 0 50 BFAA in-vitro C[C@@H]1Cc2ccc(Br)cc2C1=O 38997814 GMJKJIUETGRADG-ZCFIWIBFSA-N 225.085 2.824 0 50 BFAA in-vitro CC(C)CCNC[C@@H]1COc2ccccc2C1=O 96026762 WDWOLIIIPGSHQH-GFCCVEGCSA-N 247.338 2.514 0 50 BFAA O=C(C1[C@H]2CCCC[C@H]12)N1CCCC2(CC2)C1 184126114 RROAOPCHTRWRPV-RYUDHWBXSA-N 233.355 2.825 0 50 BFAA COCOC/C(C)=C\COCc1ccccc1 212335134 PJNIJQSPHBMVHQ-JYRVWZFOSA-N 236.311 2.770 0 50 BFAA Cc1cc(CNc2ccc(F)cc2F)no1 309861912 MXUYBZDXXWEPRY-UHFFFAOYSA-N 224.210 2.873 0 50 BFAA Cc1ncccc1CNC[C@H]1CCO[C@@H]1C(C)C 328616224 BMIVSJGQVFXCOV-HUUCEWRRSA-N 248.370 2.541 0 50 BFAA O=C(C[C@H]1CCc2ccccc21)Nc1cnoc1 604281542 DPCXLAMURQDGBT-LLVKDONJSA-N 242.278 2.733 0 50 BFAA COc1ccc(-c2ccc(C=O)cc2)cc1C=O 725242622 NDOLFCPHLKMAGY-UHFFFAOYSA-N 240.258 2.987 0 50 BFAA c1coc(Cn2ccnc2-c2ccncc2)c1 1875240727 YAWWFAIVUOWWBC-UHFFFAOYSA-N 225.251 2.586 0 50 BFAA Cc1nn(-c2ccccc2)c(Cl)c1C=O 35783 DKZPJLZXLKAMDO-UHFFFAOYSA-N 220.659 2.647 0 50 BFAA biogenic,in-vitro Cc1c(Cl)cccc1NC(=O)C1CC1 70372 HAARRYFYEBKUSK-UHFFFAOYSA-N 209.676 2.997 0 50 BFAA Cc1cc(I)cc(C)c1O 162655 HUUNIMCCAGNBDF-UHFFFAOYSA-N 248.063 2.614 0 50 BFAA in-vitro COc1ccc(/C=C/C2=CCN(C)CC2)cc1 198552 ZNWWPDNACWJXNR-ONEGZZNKSA-N 229.323 2.970 0 50 BFAA Nc1ccc(-c2ccccc2C(=O)O)cc1 1233107 DHTPJFVSTBGVFV-UHFFFAOYSA-N 213.236 2.634 0 50 BFAA CCCCN(CCCC)CCC(=O)OCC 1635590 SVFAGVSFZREYAA-UHFFFAOYSA-N 229.364 2.842 0 50 BFAA in-vitro CCOc1ccc2[nH]c(C)c(CC(=O)O)c2c1 1848251 UTQVPTYRFOINMB-UHFFFAOYSA-N 233.267 2.502 0 50 BFAA COC(=O)c1cc2cc(Cl)ccc2n1C 8417157 YPVSROYNLULNDU-UHFFFAOYSA-N 223.659 2.618 0 50 BFAA in-vitro Cc1ccc(C)c(CC(=O)NCc2ccco2)c1 20457009 UMGDDHPTFKOHME-UHFFFAOYSA-N 243.306 2.755 0 50 BFAA Cc1cc(C=O)c(F)cc1Br 26893629 RKISJSZBSQUZSJ-UHFFFAOYSA-N 217.037 2.709 0 50 BFAA in-vitro Brc1cccc(-c2ccncc2)n1 34087116 IXUHRYXJBJYQTQ-UHFFFAOYSA-N 235.084 2.906 0 50 BFAA Oc1nc(-c2ccc(Cl)cc2)ns1 34541907 BDQUENNINFPTSH-UHFFFAOYSA-N 212.661 2.564 0 50 BFAA CCOC(=O)[C@H](c1ccccc1)N1CCCCC1 63110795 AGSKYKDXQOBAPX-AWEZNQCLSA-N 247.338 2.777 0 50 BFAA in-vitro Nc1cncc(-n2ccc(-c3ccccc3)n2)c1 65458280 UTZFVMQTMPJFOA-UHFFFAOYSA-N 236.278 2.517 0 50 BFAA COc1cc(-c2ccc3[nH]ccc3c2)ncn1 67872446 HOHLRCNCGLKWLL-UHFFFAOYSA-N 225.251 2.634 0 50 BFAA c1cncc(C[C@H]2COc3ccccc3C2)c1 91665251 ZRWVAZYZCWBLGA-CYBMUJFWSA-N 225.291 2.875 0 50 BFAA Nc1ccc(-c2ccc([C@@H]3CCCN3)cc2)nc1 96161079 RHTLOFJVMNCUKC-AWEZNQCLSA-N 239.322 2.755 0 50 BFAA COC(=O)Cc1ccc(F)c(C(F)(F)F)c1 97758862 UYJGRSBZNBYCCV-UHFFFAOYSA-N 236.164 2.560 0 50 BFAA C[C@H]1C(=O)N(C)c2cc(Br)ccc21 107253899 MXPJGXFVNXAQDK-ZCFIWIBFSA-N 240.100 2.529 0 50 BFAA N=[S@](=O)(c1ccccc1)C(F)(F)F 196248795 OWOIUZZQTKKJGH-ZDUSSCGKSA-N 209.192 2.612 0 50 BFAA C[C@@H]1C[C@H]1C(=O)N(C)[C@H](C)c1ccccc1 249687537 SAGUQTRUDGVERG-NQBHXWOUSA-N 217.312 2.862 0 50 BFAA CCC1(NC(=O)c2ccn(C(C)C)n2)CCCC1 296105391 KUISBYPFNCTAJT-UHFFFAOYSA-N 249.358 2.917 0 50 BFAA COc1ncnc(C)c1-c1ccc(N(C)C)cc1 426604693 ZEDVJQPCJSDKEC-UHFFFAOYSA-N 243.310 2.527 0 50 BFAA c1ccc2c(C3CCNCC3)c[nH]c2c1 84072 KAIRZPVWWIMPFT-UHFFFAOYSA-N 200.285 2.635 0 50 BFAA biogenic,in-vitro CC(C)(C)N[S@@](=O)c1ccc(Cl)s1 337192 AUICVSYDOCAONT-CYBMUJFWSA-N 237.777 2.812 0 50 BFAA Cc1ccc(S(=O)(=O)Oc2ccccc2)cc1 1706217 KZQFPRKQBWRRHQ-UHFFFAOYSA-N 248.303 2.763 0 50 BFAA in-vitro O=Cc1ccc(-c2ccc(F)c(F)c2)nc1 2527588 MOBVWMGOMQHHDJ-UHFFFAOYSA-N 219.190 2.839 0 50 BFAA CC(=O)c1ccc(O)cc1C(F)(F)F 2572873 GKBDTFVRRWGDQM-UHFFFAOYSA-N 204.147 2.614 0 50 BFAA in-vitro COc1cccc(OCCCCN2CCCC2)c1 2880519 PHDJCSLNNLRHCM-UHFFFAOYSA-N 249.354 2.950 0 50 BFAA Cc1ccccc1OCc1c(C(=O)O)noc1C 6658331 QKIAMULQZTXWPU-UHFFFAOYSA-N 247.250 2.569 0 50 BFAA in-vitro CSc1nc(C)cc(Nc2ccc(O)cc2)n1 11907781 LDTHYKMQASHVFH-UHFFFAOYSA-N 247.323 2.956 0 50 BFAA COc1cccc([C@@H]2CCCC[C@H]2O)c1OC 12371647 XJDQMUVUAKSPLF-CMPLNLGQSA-N 236.311 2.722 0 50 BFAA Cc1scc(C(=O)NCc2ccccn2)c1C 16603547 RCNAMNIPICIKGC-UHFFFAOYSA-N 246.335 2.690 0 50 BFAA CN1CC[C@](O)(c2ccccc2)[C@@H]2CCCC[C@@H]21 22591661 KKGRMEVELZFAQV-PMPSAXMXSA-N 245.366 2.769 0 50 BFAA Cc1nc2ccc(-c3ccsc3)cc2c(=O)[nH]1 32537130 QBWBJLUZBJYALI-UHFFFAOYSA-N 242.303 2.960 0 50 BFAA CCOC(=O)c1ncoc1Cc1ccc(F)cc1 59101854 SJNMMCPQVMTFTJ-UHFFFAOYSA-N 249.241 2.581 0 50 BFAA Brc1ccc(OC2CC2)cc1 65337339 FOCLRODNGKLAOT-UHFFFAOYSA-N 213.074 2.990 0 50 BFAA in-vitro CSCc1ncnn1-c1ccccc1Cl 91859723 MBIZMMPXJGIGPJ-UHFFFAOYSA-N 239.731 2.784 0 50 BFAA C[C@@H]1CCCCN(Cc2ccccc2)C1=O 196230755 AWORBBROWYQGKR-GFCCVEGCSA-N 217.312 2.835 0 50 BFAA C[C@@H]1C[C@@H]1C(=O)N1c2ccccc2C[C@H]1C 251751349 LJAPGMXRDZGHSK-FOGDFJRCSA-N 215.296 2.620 0 50 BFAA Fc1cccnc1N1CCC[C@H]1c1cccnc1 335207208 GBVVDDXZGKKJRD-ZDUSSCGKSA-N 243.285 2.957 0 50 BFAA Cc1noc(C)c1-c1ccc(N2CCC2=O)cc1 585120666 JNXDQJLTRMVXTL-UHFFFAOYSA-N 242.278 2.695 0 50 BFAA Cn1cncc1CN1CCCCc2sccc21 684771534 DABFHKNTDGEWBM-UHFFFAOYSA-N 247.367 2.825 0 50 BFAA O=C(c1ccccc1)[C@@H](O)c1ccccc1 76 ISAOCJYIOMOJEB-ZDUSSCGKSA-N 212.248 2.603 0 50 BFAA endogenous,in-man CC[C@H](C)C(=O)Nc1nnc(CC(C)C)s1 268407 ZYMCSVDWRMDYFI-QMMMGPOBSA-N 241.360 2.721 0 50 BFAA Cc1ccccc1CNCc1ccco1 299709 LAJDUWRAYBUBTC-UHFFFAOYSA-N 201.269 2.878 0 50 BFAA CC(C)NC(=O)[C@@H](C)SCc1ccccc1 379730 ZUBJFVQHAUULMC-LLVKDONJSA-N 237.368 2.833 0 50 BFAA CN(C)CCCc1c[nH]c2ccccc12 393884 QHNWPRMHGXRBAO-UHFFFAOYSA-N 202.301 2.662 0 50 BFAA in-vivo CCCCOc1ccc(C(=O)O)cc1OC 2875549 WCFJMRPLUAGPTG-UHFFFAOYSA-N 224.256 2.572 0 50 BFAA in-vitro CCCCNCCCOc1cccc(OC)c1 2903276 VLNKUCGWGQODFU-UHFFFAOYSA-N 237.343 2.854 0 50 BFAA COc1ccc2c3c([nH]c2c1)[C@H](C)N(N=O)CC3 4773143 NPWLMIGFSUJVOK-QMMMGPOBSA-N 245.282 2.777 0 50 BFAA Cc1sc(-c2cccs2)nc1CC(=O)O 8729828 CEVZCINETUGVRV-UHFFFAOYSA-N 239.321 2.807 0 50 BFAA O=[S@@]1Oc2ccccc2-c2ccccc21 13111867 IYBLGEVIWORXGN-HNNXBMFYSA-N 216.261 2.769 0 50 BFAA O=C(NC1CCC1)NC12CC3CC(CC(C3)C1)C2 13331740 UPGLUDMAQRGDKI-UHFFFAOYSA-N 248.370 2.807 0 50 BFAA Cc1cc(Cl)nc(Br)c1 21981908 PDCBQYZKWWAKCG-UHFFFAOYSA-N 206.470 2.806 0 50 BFAA in-vitro Cc1ncc(Br)cc1Cl 21993119 ZTECWFXSVDAANY-UHFFFAOYSA-N 206.470 2.806 0 50 BFAA in-vitro COC(=O)c1cc(OC)ccc1C(F)(F)F 47202418 WJRHDSUQCDLIAV-UHFFFAOYSA-N 234.173 2.501 0 50 BFAA CCOC(=O)c1ccc(C)c(NC(=O)C(C)C)c1 72117856 FKKCLCJXUQMUGO-UHFFFAOYSA-N 249.310 2.766 0 50 BFAA CCOC(=O)c1cc(Cl)c(F)cc1OC 95616706 STVPQPSITOONQH-UHFFFAOYSA-N 232.638 2.664 0 50 BFAA CCCNC(=O)N1Cc2ccccc2C2(CC2)C1 187052140 CJEJOYXNKKZAQA-UHFFFAOYSA-N 244.338 2.653 0 50 BFAA S=C1N=CN=C2SC3=C(CCCC3)[C@H]12 221363000 PPLFMPJZBLQOBS-MRVPVSSYSA-N 222.338 2.945 0 50 BFAA Oc1c(Br)ccnc1C(F)(F)F 238711294 FBOPJQAVFDEAQR-UHFFFAOYSA-N 241.994 2.569 0 50 BFAA C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2C)CC(C)(C)C1 239308973 HCNCEEAFXADKPJ-RHYQMDGZSA-N 223.360 2.973 0 50 BFAA Cc1ncc(OC(F)F)cc1Br 263623847 LFCYOFPMFBJIMY-UHFFFAOYSA-N 238.031 2.754 0 50 BFAA Cc1cc2c[nH]nc2cc1[C@@H]1CNCC[C@@H]1C 757214565 UAAUECORJHRENF-TVQRCGJNSA-N 229.327 2.584 0 50 BFAA Cc1nc(-c2c(C)noc2C)n(C(C)(C)C)n1 825273268 LQKTXKWRZHLJMB-UHFFFAOYSA-N 234.303 2.613 0 50 BFAA C=CC(=O)Nc1c(CC)ccc2ncccc12 1776003389 MOWRJKSRFVDGIQ-UHFFFAOYSA-N 226.279 2.922 0 50 BFAA c1csc(-c2nccn2C2(C3CC3)CC2)n1 1875250601 PHLWKKATTMOIHG-UHFFFAOYSA-N 231.324 2.906 0 50 BFAA C[C@@H]1CN(C[C@H]2C=CCCCC2)CCC1=O 1875281329 HVQFYYJZUXOWQB-OLZOCXBDSA-N 221.344 2.644 0 50 BFAA Cc1ccc([C@H]2NC(=O)Cc3ccccc32)cc1 77275 CPWIHCKLMQQZOX-MRXNPFEDSA-N 237.302 2.757 0 50 BFAA CCC(=O)Nc1nnc(-c2ccccc2)s1 344550 OYBWXBASKPUYBW-UHFFFAOYSA-N 233.296 2.554 0 50 BFAA Cn1cnc2cc(NCc3ccncc3)ccc21 423363 KZLNZDRCXMQRLE-UHFFFAOYSA-N 238.294 2.580 0 50 BFAA NCCCCCCCCCCC(=O)O 1763117 GUOSQNAUYHMCRU-UHFFFAOYSA-N 201.310 2.541 0 50 BFAA biogenic,in-vitro CC(C)(C)OC(=O)Nc1ccc(F)c(N)c1 2599341 VWFNJRUKTFGZJN-UHFFFAOYSA-N 226.251 2.755 0 50 BFAA in-vitro C[n+]1ccccc1/C=C/c1cccs1 4583004 WNKBDKKSLWKXMO-BQYQJAHWSA-N 202.302 2.743 0 50 BFAA COC(=O)c1cccc(-c2ccc(C=O)o2)c1 6640622 MMFJUCGRDCLMOF-UHFFFAOYSA-N 230.219 2.546 0 50 BFAA O[C@@H]1CCCN(CC[C@@H]2CCc3ccccc32)C1 19112318 TZFQVXVQAQQCJC-LSDHHAIUSA-N 245.366 2.563 0 50 BFAA COc1ccnc(Cl)c1Br 38813030 WNCWAYKQILUYEO-UHFFFAOYSA-N 222.469 2.506 0 50 BFAA in-vitro O=C(CC1CCCC1)NCc1cccs1 40457621 ZTNHBVOFGKSJTO-UHFFFAOYSA-N 223.341 2.945 0 50 BFAA Cc1ccccc1[C@@H](C)NC(=O)C(C)C 42162515 ISEUQNJOLAKDIS-LLVKDONJSA-N 205.301 2.828 0 50 BFAA Fc1ccc(-c2c[nH]nc2[C@H]2CCCNC2)cc1 67723468 APVPIEDRAKLNGP-NSHDSACASA-N 245.301 2.683 0 50 BFAA CCOc1ccc(O)cc1C(F)(F)F 71867340 KTAPXNQLDCIIAO-UHFFFAOYSA-N 206.163 2.810 0 50 BFAA NCC12c3ccccc3[C@@H]3C1[C@H]3c1ccccc12 101043412 IRIFPDNYPYWIRM-JUVOFCAFSA-N 233.314 2.756 0 50 BFAA O[C@@H]1CCCC[C@@H]1N1CC[C@H](c2ccccc2)C1 101834617 LRWOETBLULBTDE-HRCADAONSA-N 245.366 2.779 0 50 BFAA C=C(C)C(=O)O[C@H]1CCc2ccccc21 118258257 FBIWDHSGTFRIAF-LBPRGKRZSA-N 202.253 2.793 0 50 BFAA CC(=O)NCC1(c2ccccc2Cl)CC1 135432365 FPFHFQHAGWHGPD-UHFFFAOYSA-N 223.703 2.508 0 50 BFAA CCS[C@@H]1CCC[C@@H]1NCCCF 233985410 KKOOORAGCNQZIA-VHSXEESVSA-N 205.342 2.610 0 50 BFAA FC1(F)[C@H]2[C@H]3C[C@H]4[C@@H]5[C@@H]3[C@H]1[C@@H]5C(F)(F)[C@H]42 245227224 GYFYKIHJGPVWNB-PHGDCDLQSA-N 218.193 2.645 0 50 BFAA C=CC(=O)N[C@@H]1CCCc2ccc(C)cc21 1336702572 PDMAETGKRYSFBM-CYBMUJFWSA-N 215.296 2.675 0 50 BFAA COc1cccc(NC(=O)c2ccco2)c1 29987 ARJHLCDDEHJQRC-UHFFFAOYSA-N 217.224 2.541 0 50 BFAA CCC(CC)NC(=O)Cc1ccccc1OC 31690 IASPSCLACALDQX-UHFFFAOYSA-N 235.327 2.543 0 50 BFAA COc1ccc2c3c([nH]c2c1)C(=O)CCC3 97318 KVUQFLZVUWYPGW-UHFFFAOYSA-N 215.252 2.696 0 50 BFAA O=C(c1ccccc1)n1cnc2ccccc21 101715 IYVBKVVOHXVKRD-UHFFFAOYSA-N 222.247 2.725 0 50 BFAA O=C(c1ccc2ccccc2c1)n1ccnc1 391806 FEYNPDBWOXBMOB-UHFFFAOYSA-N 222.247 2.725 0 50 BFAA C[C@H]1CCCCN1C(=O)c1ccc(F)c(F)c1 444560 QKPHMSFLFGGVDU-VIFPVBQESA-N 239.265 2.979 0 50 BFAA CC(=O)NCCCCCCC[C@@H](C)CC(=O)O 2839275 AVTGMVQLGJWMPV-LLVKDONJSA-N 243.347 2.574 0 50 BFAA O[C@]12CCCC[C@@H]1[C@@H](c1cccc(F)c1)NCC2 4012418 BPOGTJYMYUHWNX-KFWWJZLASA-N 249.329 2.781 0 50 BFAA Cc1cc(N2CCCCC2)ccc1C=O 4992637 VOTIXHXNECBHMR-UHFFFAOYSA-N 203.285 2.798 0 50 BFAA in-vitro Fc1ccc(OCCN2CCCCC2)cc1 5675045 LKXUYHPWTFCBMC-UHFFFAOYSA-N 223.291 2.690 0 50 BFAA c1ccc(CN2CCC[C@]3(CCCNC3)C2)cc1 6223102 VOWXMZNSTISHLF-INIZCTEOSA-N 244.382 2.652 0 50 BFAA CCCCOc1cccc(OCCNCC)c1 6703805 SQGMQZVEJBKIDR-UHFFFAOYSA-N 237.343 2.854 0 50 BFAA Cc1ccccc1NC(=S)Nc1ccn(C)n1 10847084 USAODZPAGVURNR-UHFFFAOYSA-N 246.339 2.537 0 50 BFAA CC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1 26896052 UNUNCPXYUNVRRF-UHFFFAOYSA-N 241.331 2.613 0 50 BFAA Cc1cc2c(N)ccnc2cc1Br 36075594 RDSQHDLOMWDIFA-UHFFFAOYSA-N 237.100 2.888 0 50 BFAA in-vitro Nc1cc(-c2ccc(-c3ccn[nH]3)cc2)ccn1 65423977 UIFOOAWWYFIQGC-UHFFFAOYSA-N 236.278 2.721 0 50 BFAA COc1cc(-c2ccc(C=O)cc2)ccc1C=O 95495523 FHLBLDFGXYGVJH-UHFFFAOYSA-N 240.258 2.987 0 50 BFAA in-vitro Nc1cccc(OC(F)(F)C(F)(F)F)c1 118003322 TYANODHKVBDSQB-UHFFFAOYSA-N 227.132 2.803 0 50 BFAA Cc1ccc(C(=O)O[C@H](C)c2cnoc2C)o1 241869001 STPLUKWYYZGJEO-MRVPVSSYSA-N 235.239 2.802 0 50 BFAA Cc1cc([C@H](C)NCc2cccnc2C)no1 669686778 LKNHCBGEUPFJAG-NSHDSACASA-N 231.299 2.537 0 50 BFAA Cc1ccc2n[nH]cc2c1[C@@H]1NCCC[C@H]1C 757213702 QNPNOCSIKUITDQ-QMTHXVAHSA-N 229.327 2.932 0 50 BFAA CCc1ccc(-c2nnc3n2CCCC3)cc1 863967092 ABUICAADZWJKOM-UHFFFAOYSA-N 227.311 2.844 0 50 BFAA CO[C@@H]1CCCN(Cc2cc(C)c(C)o2)C1 952870263 VBDLSCLFOMMZKW-GFCCVEGCSA-N 223.316 2.507 0 50 BFAA C[C@@H]1C[C@H]1CC(=O)Nc1ccc(Cl)nc1 1875259927 STKIKXLIUNTXBF-SFYZADRCSA-N 224.691 2.720 0 50 BFAA C[C@H]1C[C@@H]1CCCSCC1=NOCC1 2325810101 OMQWQGQVGOLEFS-UWVGGRQHSA-N 213.346 2.932 0 50 BFAA O=C(Cc1cccs1)NC1CCCCC1 30422 NAIKTZHUPBJABQ-UHFFFAOYSA-N 223.341 2.740 0 50 BFAA O=C(O)c1ccccc1-c1nc2ccccc2[nH]1 99362 LIGZUQZUEDNPGG-UHFFFAOYSA-N 238.246 2.928 0 50 BFAA CC(=O)c1ccc2c3c(ccc(O)c13)CC2 197897 WKQXQXDJRLCOTQ-UHFFFAOYSA-N 212.248 2.847 0 50 BFAA Cn1c([C@H](O)c2ccccc2)nc2ccccc21 499288 XYXZIVDSZIRGFM-CQSZACIVSA-N 238.290 2.655 0 50 BFAA Cc1cc(C)cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)c1 614070 FLSVENHLGXMUBV-STQMWFEESA-N 247.338 2.553 0 50 BFAA O=c1ccc2cc(Br)ccc2o1 1728863 XXRJDOQENVGLJT-UHFFFAOYSA-N 225.041 2.556 0 50 BFAA in-vitro O=C(O)Cc1cc(Cl)cc(C(F)(F)F)c1 2527774 VEEZRFPBIRDYOE-UHFFFAOYSA-N 238.592 2.986 0 50 BFAA in-vitro CCOc1ccc(CC(=O)NC2CCCC2)cc1 13329239 SOTUWILORUKEDR-UHFFFAOYSA-N 247.338 2.687 0 50 BFAA Cc1cccc(Nc2ncc(C(=O)O)c(C)n2)c1 15423891 MNELOJHAFJOQMO-UHFFFAOYSA-N 243.266 2.535 0 50 BFAA CCOC(=O)C(F)(F)c1ccc(C)cc1 31829537 XMFLSHALHZBESY-UHFFFAOYSA-N 214.211 2.650 0 50 BFAA Cc1cncc(NC(=O)OC(C)(C)C)c1 39093435 XYPVJWFXUXXBOT-UHFFFAOYSA-N 208.261 2.737 0 50 BFAA in-vitro CCCNC(=O)[C@H](C)Oc1ccc(C)c(C)c1 72115449 NTQKAUPRFNJPPK-LBPRGKRZSA-N 235.327 2.597 0 50 BFAA CCCCNC(=O)c1ccc(OC)c(Cl)c1 72437107 YKRJHCQVBBSTJV-UHFFFAOYSA-N 241.718 2.879 0 50 BFAA CC(=O)c1n[nH]c2ccc(Br)cc12 89196572 HOPFEUJFXKXWNN-UHFFFAOYSA-N 239.072 2.528 0 50 BFAA O=C(OCc1ccccc1)N1CCC=C(F)C1 95644186 SEYQHGLGRWYGFQ-UHFFFAOYSA-N 235.258 2.882 0 50 BFAA in-vitro Fc1cncc(Br)c1Cl 95763735 DGAXTZFGBOIDAB-UHFFFAOYSA-N 210.433 2.637 0 50 BFAA in-vitro CSc1cc(C)c(N)c(N)c1SC 113255034 UIWIOCJAEWOMHA-UHFFFAOYSA-N 214.359 2.603 0 50 BFAA FC(F)(F)Oc1ccccc1[C@@]1(F)CCNC1 126755602 ZBFGDECGPFXOQX-SNVBAGLBSA-N 249.207 2.743 0 50 BFAA CC(C)CCN[C@H]1CCO[C@@H](C2CC2)C1 190812713 KALUNJYWZKDFDO-QWHCGFSZSA-N 211.349 2.580 0 50 BFAA CCC(CC)C(=O)Nc1nc(C)ccc1OC 193119570 FVPXWNUHPIYLLR-UHFFFAOYSA-N 236.315 2.773 0 50 BFAA COCCC1(CNc2nc3ccccc3[nH]2)CC1 230484966 XUJUBRVBHQXHST-UHFFFAOYSA-N 245.326 2.792 0 50 BFAA CCC[C@@H]([C@@H](O)c1ccccc1)N1CCCC1 248027507 MSYYSRJQHJQEQA-GJZGRUSLSA-N 233.355 2.985 0 50 BFAA in-vitro O=C1NC[C@H](CSc2cccc(Cl)c2)O1 264608255 BGKNOHZLDGSTRQ-MRVPVSSYSA-N 243.715 2.541 0 50 BFAA c1ccc(CN2CC[C@@H]3CCCC[C@H]32)nc1 685939470 XDENLTKWXPKCCT-GXTWGEPZSA-N 216.328 2.846 0 50 BFAA CC(C)[C@@H]1CCC(=O)C[C@@H]1N(C)C(C)C 725363169 YXFVJGASGNFKOF-STQMWFEESA-N 211.349 2.720 0 50 BFAA C=CC(=O)Nc1cc(OC)ccc1-n1cccc1 1772718358 QJLPZYDKUKAZPI-UHFFFAOYSA-N 242.278 2.610 0 50 BFAA CC[C@]12C[C@H]1CN(Cc1cc(C(C)(C)C)n[nH]1)C2 1775980352 ZBANGLYSHMGYOI-XHDPSFHLSA-N 247.386 2.939 0 50 BFAA CC(C)n1nc(Br)c2cccnc21 1857777613 XIGDIIGKYAMXEW-UHFFFAOYSA-N 240.104 2.775 0 50 BFAA CC(C)NC(=O)CCCc1ccccc1 458436 DPNMDWHRLSMBCM-UHFFFAOYSA-N 205.301 2.534 0 50 BFAA CC(C)CNC(=O)COc1ccc(C(C)C)cc1 859895 PISNQFNLQWANLX-UHFFFAOYSA-N 249.354 2.961 0 50 BFAA O=C(Nc1cccc2nonc12)c1cccs1 1432998 ZEUZRZFYZCXMFB-UHFFFAOYSA-N 245.263 2.537 0 50 BFAA CCOC(=O)[C@@H](C/C=C/c1ccccc1)C(C)=O 1702396 CWQNCOQPLICNMH-RNVIBTMRSA-N 246.306 2.858 0 50 BFAA O=S1(=O)Cc2ccccc2-c2ccccc2C1 1717902 KBLXMVZQBOKWNU-UHFFFAOYSA-N 244.315 2.782 0 50 BFAA O=C(O)c1cccc(OCc2ccccc2)c1 1748751 CISXCTKEQYOZAM-UHFFFAOYSA-N 228.247 2.964 0 50 BFAA O=C(O)c1ccccc1-c1ccc(O)cc1 2528942 WJRHSYCQNCDYMN-UHFFFAOYSA-N 214.220 2.757 0 50 BFAA endogenous,in-man CCOCCCNC(=O)[C@H](CC)c1ccccc1 2729988 RNNXMLCPTQZDCP-CQSZACIVSA-N 249.354 2.723 0 50 BFAA Nc1cccc(NC(=O)CCc2ccccc2)c1 7468517 HVIXXESZUFTZMD-UHFFFAOYSA-N 240.306 2.840 0 50 BFAA COc1ccc(COc2cccc(N)c2)cc1 9239447 QEJXUWGQYJSOSA-UHFFFAOYSA-N 229.279 2.856 0 50 BFAA in-vitro Cc1ccc2oc(C3CCNCC3)nc2c1 11851382 OABOEOOTJDSLKD-UHFFFAOYSA-N 216.284 2.603 0 50 BFAA in-vitro Cc1c(O)ccc(Br)c1C 11949634 MOKFDXJOXUHQNO-UHFFFAOYSA-N 201.063 2.772 0 50 BFAA in-vitro Nc1ccc2ccc(C(F)(F)F)cc2n1 26474772 CGKJFBMTNDZZJA-UHFFFAOYSA-N 212.174 2.836 0 50 BFAA in-vitro O=Cc1c(F)ccc(F)c1Br 40571916 PQXMBFZKKQNHBA-UHFFFAOYSA-N 221.000 2.540 0 50 BFAA in-vitro COC1=CCN(C(=O)OCc2ccccc2)CC1 44124238 MLKJFCDEYVWDHR-UHFFFAOYSA-N 247.294 2.559 0 50 BFAA O=Cc1cccc(Oc2ccc(Cl)nn2)c1 49538557 OFIOKZFAVIBYAD-UHFFFAOYSA-N 234.642 2.735 0 50 BFAA CC(C)N(Cc1nccn1C)C[C@@H]1CC=CCC1 65374674 PDSATEZNDDGXPV-CQSZACIVSA-N 247.386 2.987 0 50 BFAA C[C@H](CO)N(Cc1ccccc1)CC1(C)CC1 65426213 UJLKRCNNVALYQJ-CYBMUJFWSA-N 233.355 2.670 0 50 BFAA CCCC[C@H](NC)C(=O)c1ccc(C)cc1 96032830 BDTHWVVHQBNAGU-ZDUSSCGKSA-N 219.328 2.956 0 50 BFAA in-vitro COC(=O)c1cc(Br)c(F)cc1C 98214269 MNYTWTCGSPYQHC-UHFFFAOYSA-N 247.063 2.683 0 50 BFAA CCOC(=O)/C=C(\S)c1ccccc1 100329075 KITGQMUBFVFBRU-NTMALXAHSA-N 208.282 2.520 0 50 BFAA CC(C)c1noc([C@H]2CCC(=O)C[C@H]2C)n1 162579309 BJTDUZVYEIXDIB-SCZZXKLOSA-N 222.288 2.666 0 50 BFAA Cc1ncc(CN2CC(C)C2)n1-c1ccccc1 170619351 CRBJFAFFHWHIBF-UHFFFAOYSA-N 241.338 2.632 0 50 BFAA C[C@H]1CC(C)(C)C[C@H]1N[C@H](C)CCCO 225449679 IBPNKNODARGSOY-QJPTWQEYSA-N 213.365 2.562 0 50 BFAA C[C@@H](NC(=O)c1ccoc1)[C@H]1C[C@H]2CC[C@H]1C2 273494258 OXHAAOBYRYTEOK-MPPDQPJWSA-N 233.311 2.834 0 50 BFAA Cc1ccc2[nH]cc(-c3cnc4nncn4c3)c2c1 426361285 MSHRECCPDKJIEF-UHFFFAOYSA-N 249.277 2.581 0 50 BFAA C=CC(=O)N[C@@H](c1ccco1)C(C)(C)C 820436830 NTISGWKORCBLHB-NSHDSACASA-N 207.273 2.669 0 50 BFAA C=CC(=O)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1 863971567 YXVSWUFTVQHGGL-WCQYABFASA-N 233.286 2.764 0 50 BFAA C=CC(=O)NCc1ccsc1C(F)(F)F 1346101051 VZCIVNHHQDMMEZ-UHFFFAOYSA-N 235.230 2.569 0 50 BFAA FC(F)(F)C1([C@@H]2CCCCN2)CCC1 1857782946 FEWQBXFTVBJYEJ-QMMMGPOBSA-N 207.239 2.861 0 50 BFAA Cc1ccc(CC(=O)Nc2ccncc2)cc1 463587 UGJNROSGGLULBP-UHFFFAOYSA-N 226.279 2.571 0 50 BFAA CCOCC(=O)Nc1ccccc1C(C)C 2734040 KKHYTDVXPOYFBX-UHFFFAOYSA-N 221.300 2.785 0 50 BFAA CC[C@@H](Sc1nc2ccccc2o1)C(=O)O 4727861 TYFJBPZESNTBKK-SECBINFHSA-N 237.280 2.783 0 50 BFAA O=C(Nc1nc2c(s1)CCCC2)C1CCC1 6342573 SSJHAILTDUNTIY-UHFFFAOYSA-N 236.340 2.761 0 50 BFAA Nc1ccccc1NC(=O)Nc1ccccc1 6392997 SNAKVLZLSFROSL-UHFFFAOYSA-N 227.267 2.913 0 50 BFAA CCOc1cccc(C(=O)N[C@H](C)CC)c1 10120516 XSVIKNYGCKQELG-SNVBAGLBSA-N 221.300 2.614 0 50 BFAA CC(C)NC(=O)c1ccc(Br)s1 13322885 HZWCBYUNRDYUJM-UHFFFAOYSA-N 248.145 2.649 0 50 BFAA CCCCN(CCCC)c1ncnc2[nH]cnc12 13518595 LZSBOVSYRLCELU-UHFFFAOYSA-N 247.346 2.760 0 50 BFAA Cc1cc(C)c(N)c(-c2cc(C)n[nH]2)c1 17744416 PBEDLLCNBBRBHG-UHFFFAOYSA-N 201.273 2.584 0 50 BFAA Cc1nc(N2CCCC2)ccc1Br 40456699 NLMNOSSSZUXGGZ-UHFFFAOYSA-N 241.132 2.753 0 50 BFAA in-vitro C[C@@H](Oc1ccc(F)cc1)C(=O)NC(C)(C)C 42630856 ZCTCXLSTPJRJIC-SECBINFHSA-N 239.290 2.508 0 50 BFAA Cc1cc(C)n(C[C@H](C)NCc2ccsc2)n1 69749237 NBFGFBYDDMFQCP-NSHDSACASA-N 249.383 2.740 0 50 BFAA O=Cc1cc(F)c(F)c(Br)c1 90411254 VQSVSYGPVVEMIN-UHFFFAOYSA-N 221.000 2.540 0 50 BFAA in-vitro Nc1cc(SC(F)(F)F)ccc1O 91252810 DJYRPQFDXPTWKU-UHFFFAOYSA-N 209.192 2.586 0 50 BFAA in-vitro O=C(N[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 101574446 OMKJOVVKLPKENU-DRZSPHRISA-N 215.296 2.605 0 50 BFAA CC(C)N(C(=O)c1ccc(N)cc1)C(C)C 137400197 SKKDTQJSHOOMHA-UHFFFAOYSA-N 220.316 2.528 0 50 BFAA O=C(O)c1c2ccccc2n2ccsc12 138061919 KBSNNUAQCDKOLL-UHFFFAOYSA-N 217.249 2.852 0 50 BFAA Nc1cccc2nc(C(F)F)sc12 214222037 OOVBATIABWVUDH-UHFFFAOYSA-N 200.213 2.816 0 50 BFAA C[C@@H]1CCCC[C@@H]1NC(=O)CC[C@H]1CCCO1 247972204 BBQWZIJITHOIIS-UPJWGTAASA-N 239.359 2.641 0 50 BFAA C1COC[C@H](CNC23CCC(CC2)CC3)C1 334675728 JZQBPEAJHRDPBV-MOKVOYLWSA-N 223.360 2.725 0 50 BFAA Cc1cc2n[nH]cc2cc1-c1ccncc1 1250468616 DHDAVUCCSPXIKU-UHFFFAOYSA-N 209.252 2.933 0 50 BFAA O=C(NC/C=C/c1ccccc1)c1cnsc1 1857690423 BXMCDNRJXYFFDT-QPJJXVBHSA-N 244.319 2.586 0 50 BFAA CNC(=O)c1c(-c2ccccc2)noc1C(C)C 1875274032 AHVYIAZIKYKCLS-UHFFFAOYSA-N 244.294 2.825 0 50 BFAA Cc1ccc(F)c(-c2cnc3ncccn23)c1 1875321674 QYLGIINRSKTCLZ-UHFFFAOYSA-N 227.242 2.844 0 50 BFAA Cc1cccc(CN(C(=O)C23CC2C3)C2CC2)c1 2325897830 JYVQQSLZYDMPOU-UHFFFAOYSA-N 241.334 2.896 0 50 BFAA C/C=C(\C)c1nnc(NC(=O)c2ccco2)s1 618445 YXUYSGKSNQCRGO-XVNBXDOJSA-N 249.295 2.807 0 50 BFAA CCCCOc1ccc(CC(=N)N)cc1Cl 1817334 VTWNHGMIFPQEND-UHFFFAOYSA-N 240.734 2.997 0 50 BFAA CCCCNC(=O)COc1cccc(Cl)c1 5419689 KBSNMPQVBXUASB-UHFFFAOYSA-N 241.718 2.635 0 50 BFAA CC[C@@H](C)Sc1nc2ccccc2c(=O)[nH]1 8673132 QFLUMHHMRPVEDR-MRVPVSSYSA-N 234.324 2.814 0 50 BFAA Fc1cnc(Cl)cc1Br 8698173 ZRTWQQQUONAULI-UHFFFAOYSA-N 210.433 2.637 0 50 BFAA in-vitro CCOC(=O)c1cc2ccc(OC)cc2o1 15019326 VBJGXQIHVLKHCT-UHFFFAOYSA-N 220.224 2.618 0 50 BFAA CCN1CCN([C@H](C)CCc2ccccc2)CC1 19636101 TVLFARSZKCDJHP-OAHLLOKOSA-N 246.398 2.645 0 50 BFAA COC(=O)/C=C/c1cccc(C(F)(F)F)c1 33823033 ZQAIZQSBGPNEEN-AATRIKPKSA-N 230.185 2.892 0 50 BFAA CC(=O)c1ccc(F)c(Br)c1F 51951626 NOQZJPYTXYUMAU-UHFFFAOYSA-N 235.027 2.930 0 50 BFAA FC(F)(F)CCc1nc(-c2cccnc2)no1 65504203 HUORLQFRLPXSDN-UHFFFAOYSA-N 243.188 2.627 0 50 BFAA COc1cnc(Br)cc1Cl 85210487 NATSPHDWPVWHLE-UHFFFAOYSA-N 222.469 2.506 0 50 BFAA in-vitro CC(C)c1cc(NCC2(CO)CCCC2)ncn1 95374276 YDMZHIVNOLBAEM-UHFFFAOYSA-N 249.358 2.565 0 50 BFAA CC(C)(C)OC(=O)N1CC(=O)c2ccccc21 149802664 FDJOAIMFLUVAHF-UHFFFAOYSA-N 233.267 2.624 0 50 BFAA CSC[C@@](C)(O)CN[C@H](C)C1CCCCC1 165351760 HTSWSSYOEDTCFV-YPMHNXCESA-N 245.432 2.659 0 50 BFAA CCN(Cc1cocn1)[C@@H](C)c1cccc(O)c1 191933951 KVEHHRJHXMXYMA-NSHDSACASA-N 246.310 2.963 0 50 BFAA CC[C@H](C)N[C@H](C)CCCC(C)(C)O 200521290 XMVVNMIHLLIKAJ-WDEREUQCSA-N 201.354 2.704 0 50 BFAA CNC(=O)[C@@]1(Cc2ccccc2)C[C@H]2CC[C@H]1C2 247985455 YYHIYLFIQQHYPX-DZKIICNBSA-N 243.350 2.782 0 50 BFAA Cc1ccc(-c2cc3ncccn3n2)cc1 263619775 ZCVJUKYECAJYSC-UHFFFAOYSA-N 209.252 2.705 0 50 BFAA Fc1ccc2c(N3CCCC3)ccnc2c1 301269334 NGFFXUQRXULRKU-UHFFFAOYSA-N 216.259 2.974 0 50 BFAA Cc1ccc2n[nH]cc2c1[C@H]1CCCN[C@H]1C 757209994 GYWIWOJBJKNJRJ-QWRGUYRKSA-N 229.327 2.727 0 50 BFAA C[C@@H](O)c1cccc(-c2cncc(O)c2)c1F 1875240889 KBHKDEOCIQLIFB-MRVPVSSYSA-N 233.242 2.647 0 50 BFAA CC(C)c1cc(-c2cccc3c2OCCO3)n[nH]1 2325773137 WPDIUCYIPFAUIM-UHFFFAOYSA-N 244.294 2.971 0 50 BFAA c1cc(CNC[C@@H]2C[C@H]3CC[C@H]32)c2cc[nH]c2n1 2325807349 SXSZEGVFHGTXBC-KGYLQXTDSA-N 241.338 2.699 0 50 BFAA Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(N)=O 188844 BVIXGGBKDPPGHJ-GFCCVEGCSA-N 243.310 2.522 0 50 BFAA biogenic CC(C)(C)OC(=O)Nc1ccccc1C(=O)O 216768 BYGHHEDJDSLEKK-UHFFFAOYSA-N 237.255 2.732 0 50 BFAA in-vitro Cc1ccccc1CNCc1cccnc1 378545 OIUSANOAUHEIFK-UHFFFAOYSA-N 212.296 2.680 0 50 BFAA in-vitro NNc1c(Cl)cc(Cl)cc1Cl 388223 MULHANRBCQBHII-UHFFFAOYSA-N 211.479 2.932 0 50 BFAA in-vitro c1ccc2c(c1)sc1[n+]2CCCS1 404908 KZTJGUUYHARMGJ-UHFFFAOYSA-N 208.331 2.685 0 50 BFAA COCC(=O)Nc1cc(Cl)cc(Cl)c1 458420 GNIKEYUFTBGHCC-UHFFFAOYSA-N 234.082 2.578 0 50 BFAA O=C(O)c1cccc(N2Cc3ccccc3C2)c1 532366 OPNQQNYLEULRRV-UHFFFAOYSA-N 239.274 2.905 0 50 BFAA in-vitro CC[C@@H]1S[C@H](C)C[C@H](OC(C)=O)[C@@H]1C 1481013 JWSCWDYIUHOXAJ-IFFSRLJSSA-N 216.346 2.858 0 50 BFAA Cc1ccc(OCCCC(=O)O)c(C)c1 1871144 OLCDCKDJWZYWDM-UHFFFAOYSA-N 208.257 2.547 0 50 BFAA in-vitro CCC(=O)c1ccc(OCCCN(C)C)cc1 4841769 VWZHJMBMCNRTNM-UHFFFAOYSA-N 235.327 2.610 0 50 BFAA O=C(CCC1CCCCC1)Nc1ccon1 13746921 XPJYHHFVOUECBH-UHFFFAOYSA-N 222.288 2.974 0 50 BFAA Nc1ccccc1C(=O)NC1CCCCCC1 20192916 JYRFNVVNWLSKQP-UHFFFAOYSA-N 232.327 2.721 0 50 BFAA c1ccc([C@H]2CNCc3ccccc32)cc1 20281051 OSZMNJRKIPAVOS-OAHLLOKOSA-N 209.292 2.922 0 50 BFAA biogenic,in-vitro Brc1csc(N2CCCC2)n1 44116779 ORTSNWTXFACJGK-UHFFFAOYSA-N 233.134 2.506 0 50 BFAA in-vitro CC(C)(C)CC(=O)N1CCC(c2ncc[nH]2)CC1 72439437 HKCTUKJBEWJOGL-UHFFFAOYSA-N 249.358 2.552 0 50 BFAA CC(C)n1cnnc1CN(C)C[C@H]1CC=CCC1 77534927 AOCYNQGAWNYTDX-ZDUSSCGKSA-N 248.374 2.647 0 50 BFAA OC[C@H](CNC[C@@H]1CC=CCC1)c1ccccc1 124358160 LDQOMOZTOHOUJX-ZBFHGGJFSA-N 245.366 2.708 0 50 BFAA C=CC(=O)Nc1cccc2c(C)nccc12 1875368277 GCIXJAHMOAERRN-UHFFFAOYSA-N 212.252 2.668 0 50 BFAA COC(=O)c1ccc2c3c(cccc13)CC2 141349 SKSBXJMIJGEWBR-UHFFFAOYSA-N 212.248 2.725 0 50 BFAA O=C(Nc1ccccc1Cl)NC1CC1 381046 KOMUOBBMWOSPEZ-UHFFFAOYSA-N 210.664 2.624 0 50 BFAA O=C(Oc1ccc(Cl)cc1)c1ccccn1 450566 CPYVYZDMUCPNHX-UHFFFAOYSA-N 233.654 2.954 0 50 BFAA Cn1cnnc1SCc1ccc(Cl)cc1 484366 SHRLSJRAYJBMNC-UHFFFAOYSA-N 239.731 2.761 0 50 BFAA O=C(O)c1nc(-c2ccccc2)cs1 1512605 ORSGNNVYFOPYKB-UHFFFAOYSA-N 205.238 2.508 0 50 BFAA in-vitro CCCCN1CCc2c([nH]c3ccccc23)C1=O 2495642 GMTVDMHBAFKTOI-UHFFFAOYSA-N 242.322 2.966 0 50 BFAA aggregator CCOc1cccc(OCCCCN(C)C)c1 2822073 WCLUOPKJMXMPOF-UHFFFAOYSA-N 237.343 2.806 0 50 BFAA CC(C)(C)[C@@H]1C[C@@H](O)CN(C(C)(C)C)C1 4011310 SXCPSDUKJOOIEW-GHMZBOCLSA-N 213.365 2.514 0 50 BFAA COc1cc2c(OC)cccc2cc1C(=O)O 4271375 VTPNSKNCVKIPIX-UHFFFAOYSA-N 232.235 2.555 0 50 BFAA Cc1ccc(C2=NNC(=O)[C@@H]3CCCC[C@@H]23)cc1 6814426 CAGGMZIQVSXHRG-CHWSQXEVSA-N 242.322 2.635 0 50 BFAA FC(F)(F)c1nc(Cl)cc(Cl)n1 11804120 QFWVAJQVYBRTCL-UHFFFAOYSA-N 216.977 2.802 0 50 BFAA in-vitro O=C(NCc1ccncc1)Nc1ccccc1F 12537520 UTGJSFILAFKMHO-UHFFFAOYSA-N 245.257 2.542 0 50 BFAA Cc1noc(C)c1C(=O)NC1CCC(C)CC1 12895166 NJEDVNSMUJNRIQ-UHFFFAOYSA-N 236.315 2.600 0 50 BFAA C[C@@]12CCC(=O)N1CCc1c2[nH]c2ccccc12 34463235 YZCPZTYKWQSAJI-HNNXBMFYSA-N 240.306 2.562 0 50 BFAA COC(=O)c1cc(Cl)c2cc(F)ccc2n1 38537302 CXAWNDWONHOZNO-UHFFFAOYSA-N 239.633 2.814 0 50 BFAA in-vitro COC(=O)c1cc2ccccc2nc1Cl 44199691 OVPJNOFBMQEIGW-UHFFFAOYSA-N 221.643 2.675 0 50 BFAA in-vitro O=Cc1c[nH]c2cc(F)c(Br)cc12 95933583 HWPRCHLVMBMXDO-UHFFFAOYSA-N 242.047 2.882 0 50 BFAA in-vitro COc1cc(C)c(N)cc1C(F)(F)F 113190132 FRUAEMKBWUYWTP-UHFFFAOYSA-N 205.179 2.605 0 50 BFAA CCCCNC(=O)c1cc(O)ccc1Cl 226433181 WFPTTWZHLXWYIW-UHFFFAOYSA-N 227.691 2.576 0 50 BFAA C[C@@H](CCN[C@H]1CC[C@@H](C)C[C@H]1C)[S@@](C)=O 253370259 OJRBYTJFTMKNKF-XRMRDTNMSA-N 245.432 2.558 0 50 BFAA O=C(O)Cc1c(Cl)cc(F)cc1Cl 263624386 PYYJGBRXHSGOBY-UHFFFAOYSA-N 223.030 2.760 0 50 BFAA Cc1ncc(NC(=O)Cc2ccccc2C)s1 334520790 RHFOIAYBOLOBAK-UHFFFAOYSA-N 246.335 2.941 0 50 BFAA C1CCN2CC[C@@H](NC3CC4(CCC4)C3)[C@H]2C1 336251625 BCVBKARHIYGVIA-ZIAGYGMSSA-N 234.387 2.536 0 50 BFAA Cc1[nH]c2ncnc(N3CCC[C@@H]3C)c2c1C 645181611 MHNOTEIHSAJHPI-QMMMGPOBSA-N 230.315 2.563 0 50 BFAA C=CC(=O)Nc1cccc2c1OC(C)(C)C=C2 1356523570 WGGMMIXRCGBEQU-UHFFFAOYSA-N 229.279 2.995 0 50 BFAA CC(C)(N)Cc1ccccc1-c1csc(=N)[nH]1 1857526940 SLNPPBDIDWBSNX-UHFFFAOYSA-N 247.367 2.502 0 50 BFAA C=CC(=O)N[C@H](C)Cc1ccccc1SC 1875367900 XUYAGSOAWCHRFS-SNVBAGLBSA-N 235.352 2.642 0 50 BFAA Cc1ccc(C(=O)Nc2cccc(C(=O)O)c2)o1 37433 UOIAQNBEHLQRMG-UHFFFAOYSA-N 245.234 2.539 0 50 BFAA CC1=C(C(=O)Nc2ccccc2)SCCO1 43478 GYSSRZJIHXQEHQ-UHFFFAOYSA-N 235.308 2.620 0 50 BFAA metabolite,world O=C(Nc1cccc2ccccc12)c1cnccn1 190501 DPOBQSKOFIYTHX-UHFFFAOYSA-N 249.273 2.882 0 50 BFAA O=C(NCCc1ccccc1)c1cccc(F)c1 235903 DDABCDSIGRXMAR-UHFFFAOYSA-N 243.281 2.798 0 50 BFAA COc1cccc(CO)c1OCc1ccccc1 516866 OQIGXCSBMYVDOZ-UHFFFAOYSA-N 244.290 2.767 0 50 BFAA O=Cc1ccc(COc2ccc(F)cc2)o1 2578471 SAKCIMIIRPKAQG-UHFFFAOYSA-N 220.199 2.810 0 50 BFAA CC(C)NC(=O)c1ccc(Br)cc1 3165223 PWXNCWKINUCUPV-UHFFFAOYSA-N 242.116 2.587 0 50 BFAA in-vitro CCCCC[C@H]1C(=O)CC[C@@H]1CC(=O)O 3978811 PQEYTAGBXNEUQL-NXEZZACHSA-N 212.289 2.637 0 50 BFAA endogenous,in-man O=C(O)C[C@@H](c1ccccc1)n1cccc1 4103911 GLJWRQSFZOJOLE-LBPRGKRZSA-N 215.252 2.552 0 50 BFAA in-vitro CNC(=O)c1cccc(OCc2ccccc2)c1 6697676 ORDVPWYLLKJEIC-UHFFFAOYSA-N 241.290 2.625 0 50 BFAA CCc1ccc([C@@H](C)NC(=O)[C@H]2CCCO2)cc1 6698188 CRKWRKJYTWXEFR-BXUZGUMPSA-N 247.338 2.605 0 50 BFAA CC(C)Oc1ccc(C(=O)O)cc1Cl 9237074 QXSPLPLQLJAPSM-UHFFFAOYSA-N 214.648 2.825 0 50 BFAA in-vitro CN(C)CCN(C)C1CCCCCCC1 19635875 KRTAXJPFXXSTHQ-UHFFFAOYSA-N 212.381 2.593 0 50 BFAA CCCOc1c(Cl)cc(CNC)cc1OC 19776939 JQXSYJSCIRLOSS-UHFFFAOYSA-N 243.734 2.857 0 50 BFAA CCOc1ccc(C[C@@H]2CCCNC2)cc1 32099132 RSACBNWSKVWJRW-ZDUSSCGKSA-N 219.328 2.627 0 50 BFAA in-vitro COc1ccc(Br)c(S)c1 34315989 OPVIAUGHOYNQLE-UHFFFAOYSA-N 219.103 2.746 0 50 BFAA Oc1ccc(-c2cc(F)ccc2F)nc1 65355758 DHAHVVVYUYYBNH-UHFFFAOYSA-N 207.179 2.732 0 50 BFAA in-vitro CC(C)CCCc1nc(-c2cccnn2)no1 91678547 WEALQAALTRCQFG-UHFFFAOYSA-N 232.287 2.505 0 50 BFAA O=C(c1ccc(F)c(F)c1F)C(F)(F)F 100516555 IMNOEPGIXIWEOA-UHFFFAOYSA-N 228.091 2.849 0 50 BFAA CC(C)n1nc(-c2ccccc2)cc1O 116604113 ZCGQDTGNOWHFDU-UHFFFAOYSA-N 202.257 2.837 0 50 BFAA CC[C@@H](N[C@@H](c1ccccc1)C1CCC1)C(=O)O 191424899 NBTYLQBRCHFRCX-KGLIPLIRSA-N 247.338 2.981 0 50 BFAA CC(=O)OSC(C)(C)[C@H]1CC[C@H](C)CC1=O 238791371 HGSQLXVPGSWSBL-WPRPVWTQSA-N 244.356 2.982 0 50 BFAA O=C(C[C@H]1C=CCC1)NCC1=CCCCC1 295713274 CAXGZKILWCKQBF-LBPRGKRZSA-N 219.328 2.959 0 50 BFAA C=CC(=O)NC12CC3C[C@@H](C1)C(F)(F)[C@@H](C3)C2 1775997650 OAMSKZXLXSMCBT-QLWZBITOSA-N 241.281 2.503 0 50 BFAA C=CC(=O)N[C@H](C)Cc1c[nH]c2ccc(F)cc12 1776003374 LYJGKTRSTBZDTK-SECBINFHSA-N 246.285 2.540 0 50 BFAA Fc1ccc(-c2cnc3cnccn23)cc1F 2100482546 HMXSUSNIUUTRGA-UHFFFAOYSA-N 231.205 2.675 0 50 BFAA O=C(/C=C/c1ccccc1)Nc1ccncc1 285603 DGOCCFYFFJOZQM-VOTSOKGWSA-N 224.263 2.734 0 50 BFAA CCNC(=O)Nc1cccc(Br)c1 398061 FGNMEGKVUNMIDC-UHFFFAOYSA-N 243.104 2.591 0 50 BFAA Cc1ccc(NC(=O)/C=C/c2ccco2)nc1 476100 FBWGPENBYWVVFF-FNORWQNLSA-N 228.251 2.635 0 50 BFAA CNC(=O)Cc1coc2ccc3ccccc3c12 1049660 SSKABSRYUYQILL-UHFFFAOYSA-N 239.274 2.875 0 50 BFAA CCCCC[C@@H]1C(=O)CC[C@H]1CC(=O)OC 2077817 KVWWIYGFBYDJQC-QWRGUYRKSA-N 226.316 2.725 0 50 BFAA biogenic,in-vitro CCCOC(=O)Nc1cc(C)ccc1OC 2166549 MIIZTBFHTIFTLP-UHFFFAOYSA-N 223.272 2.962 0 50 BFAA COc1ccc(OCCCN2CCCC2)cc1 2497269 XMYQBMUUYBWZGG-UHFFFAOYSA-N 235.327 2.560 0 50 BFAA COc1c(Cl)cc(Cl)cc1CC(=O)O 3750815 SCCIRTQIRBQPBT-UHFFFAOYSA-N 235.066 2.629 0 50 BFAA Cc1ccc(-c2n[nH]c(-c3ccncc3)n2)cc1 6701519 LALZUKLCQLDZJW-UHFFFAOYSA-N 236.278 2.842 0 50 BFAA CCCc1c(C)nc(Nc2ccccc2)[nH]c1=O 9264676 IWZFXZHIPHLRAD-UHFFFAOYSA-N 243.310 2.774 0 50 BFAA CC(=O)c1c(C)nc2cc(Cl)ccc2c1N 19932184 LMYIWLSXMMTSFK-UHFFFAOYSA-N 234.686 2.981 0 50 BFAA CC(C)CCOc1ccc(CCN)cc1 22177217 NCPITIFPCVNRLO-UHFFFAOYSA-N 207.317 2.613 0 50 BFAA in-vitro Cc1nc(C)c(Br)c(Cl)n1 25491403 BZQXOFCIHJDLCR-UHFFFAOYSA-N 221.485 2.509 0 50 BFAA in-vitro CCOC(=O)c1nc(-c2ccccc2)cs1 35633081 GWFISTWSEPVSDU-UHFFFAOYSA-N 233.292 2.987 0 50 BFAA Clc1cc2c(cc1Br)OCO2 40571506 VNFIRXCKAFPWRQ-UHFFFAOYSA-N 235.464 2.831 0 50 BFAA in-vitro CCc1ccc([C@H](C)[C@@H](C(C)=O)C(=O)O)cc1 43190894 GJVNRNNEIQSOIK-ZANVPECISA-N 234.295 2.642 0 50 BFAA COc1ccc(OC)c2cc(C=O)ccc12 43214953 XHQUORHNAGGFOP-UHFFFAOYSA-N 216.236 2.670 0 50 BFAA CC[C@H]1C=CCN1C(=O)c1cc(C(C)C)on1 65430499 FRMXLWOJUAFSAX-JTQLQIEISA-N 234.299 2.589 0 50 BFAA CCCc1nc(C)cc(-c2ccccc2CO)n1 67885138 SEWCWXYVNZAKQM-UHFFFAOYSA-N 242.322 2.897 0 50 BFAA CCc1ccc(CC(=O)NC(C)(C)C)cc1 71376473 OXDJCMVHUIOCGV-UHFFFAOYSA-N 219.328 2.706 0 50 BFAA CC(C)=CCN1CC[C@]2(CCCO2)CCC1=O 71756787 OEEDFXBOSVZPTE-AWEZNQCLSA-N 237.343 2.514 0 50 BFAA CC(C)N1CCCN[C@]1(C)c1ccccc1 71773922 IANOMTUMKSQTDF-AWEZNQCLSA-N 218.344 2.563 0 50 BFAA O=c1c2ccccc2sn1Cc1cncs1 95369878 XIBSSOXWQWPDOH-UHFFFAOYSA-N 248.332 2.568 0 50 BFAA COC(=O)C[C@@H](c1cccc(O)c1)C(C)C 98213340 LPNDMJQBOFLBRG-GFCCVEGCSA-N 222.284 2.695 0 50 BFAA in-vitro C[C@@H]1C[C@H](c2ccccc2)CN1CCCC(=O)O 116402595 ONVKAZCNWPJCEK-OCCSQVGLSA-N 247.338 2.729 0 50 BFAA C[Si](C)(C)c1ccccc1[Si](C)(C)C 169818098 YHMJZIJXVNRXIN-UHFFFAOYSA-N 222.480 2.777 0 50 BFAA in-vitro COC(C)(C)C(=O)Oc1cnc2ccccc2c1 188132184 FQJJCHGREQINIP-UHFFFAOYSA-N 245.278 2.565 0 50 BFAA CC1=CC[C@H]2[C@@H](C1)[C@@H](O)[C@H]1CC=C(C)C[C@H]1[C@@H]2O 216523232 VJTLGAFBMXQRLJ-UGYDUONOSA-N 248.366 2.667 0 50 BFAA O=C(O)C[C@@H](c1ccccc1F)C(F)F 258722856 BAIUFYNMDGZBFB-ZETCQYMHSA-N 218.174 2.649 0 50 BFAA Cc1cc(N2CCO[C@@H](C(C)(C)C)C2)ccn1 279350116 FLHHQPHJJQQJFA-CYBMUJFWSA-N 234.343 2.641 0 50 BFAA COc1cc(Br)cc(Cl)c1O 306219532 MYIAXERRSOIINB-UHFFFAOYSA-N 237.480 2.817 0 50 BFAA Cc1nn(C(C)C)cc1-c1ccc(N(C)C)nc1 426503247 IXNNOFSPLFQRDB-UHFFFAOYSA-N 244.342 2.900 0 50 BFAA NNc1ccc(C(F)(F)F)cc1Cl 165082 KSESZRGARIEOFC-UHFFFAOYSA-N 210.586 2.644 0 50 BFAA in-vitro C[C@H](NC(=O)c1cccs1)C(C)(C)C 1055228 SBSVVFJNWGTYIP-QMMMGPOBSA-N 211.330 2.913 0 50 BFAA CC(C)(O)c1ccccc1Br 1570545 TXQKNSQVEWHJAQ-UHFFFAOYSA-N 215.090 2.677 0 50 BFAA in-vitro CCC(CC)[C@@H](O)C[C@H](O)CC(C)C 1655719 MPURTQWGOYOLEZ-NEPJUHHUSA-N 202.338 2.581 0 50 BFAA c1ccc2c(c1)ccn2C1CCNCC1 2391681 RQEDXUKWSYJDPG-UHFFFAOYSA-N 200.285 2.566 0 50 BFAA biogenic,in-vitro CC[C@H](N)c1ccc(Br)cc1 4200442 WKPWFAZJGVXPCH-VIFPVBQESA-N 214.106 2.859 0 50 BFAA in-vitro Cc1nc(-c2ccccc2)nc2nccc(O)c12 8680734 ZMDLLACOSQTUKG-UHFFFAOYSA-N 237.262 2.706 0 50 BFAA COCCNc1cc(C)c2cccc(OC)c2n1 23634185 VYMTXMKWYZWPRQ-UHFFFAOYSA-N 246.310 2.610 0 50 BFAA O=C(O)c1ccc(C(=O)Cc2ccccc2)cc1 43214127 JRFSSRWUBQYOGX-UHFFFAOYSA-N 240.258 2.810 0 50 BFAA COC(=O)c1ccc(-c2ccccc2)cc1O 74938293 DJSGFYYLFUDUFT-UHFFFAOYSA-N 228.247 2.846 0 50 BFAA in-vitro Oc1ccc(C[C@@H]2COc3ccccc3C2)nc1 91746108 WFJCDHPVAYLBCS-LLVKDONJSA-N 241.290 2.581 0 50 BFAA CN(C(=O)OC(C)(C)C)c1ccc(C=O)cc1 147428452 FVFMKIIPSLKNFS-UHFFFAOYSA-N 235.283 2.870 0 50 BFAA CCCn1cc(-c2ccc3c(c2)NCC3)cn1 168944708 SVFQSTBJMANTEM-UHFFFAOYSA-N 227.311 2.928 0 50 BFAA CN(CCCCO)C(=O)CCC1CCCCC1 170607658 MIUWBXHVPDXVAW-UHFFFAOYSA-N 241.375 2.578 0 50 BFAA CC(C)c1nc(-c2cc[nH]c3nccc2-3)no1 351156925 QBGDQGKUZWGSKZ-UHFFFAOYSA-N 228.255 2.688 0 50 BFAA C=CC(=O)NC[C@H]1CCCCC(F)(F)C1 952884419 CTYQZABWTVQVGX-VIFPVBQESA-N 217.259 2.504 0 50 BFAA COc1ccc(CN2CCCCCC2)cc1O 207410 VZGIUFXANYAAKR-UHFFFAOYSA-N 235.327 2.777 0 50 BFAA O=C(Nc1ccc(F)cc1)C1CCCC1 461759 YNJLHWDFOSHACZ-UHFFFAOYSA-N 207.248 2.954 0 50 BFAA Cc1ccc(NC(=O)c2sc(N)nc2C)cc1 535638 PYCNZJBDNFCOFZ-UHFFFAOYSA-N 247.323 2.594 0 50 BFAA CCOC(=O)c1cc(-c2ccc(C)cc2)nn1C 2520657 ZOHDJFVDVYZDIK-UHFFFAOYSA-N 244.294 2.572 0 50 BFAA O=C(Nc1cccc2cccnc12)c1cccnc1 2995956 KLHHTSOKULJTJG-UHFFFAOYSA-N 249.273 2.882 0 50 BFAA Cc1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H]2C)cc1 4651195 MNFOEAXSHGSEIY-GMXVVIOVSA-N 217.312 2.828 0 50 BFAA Cc1c(Cl)cccc1NC(=O)NC1CC1 6699972 JWYMJHWKYUDCDM-UHFFFAOYSA-N 224.691 2.932 0 50 BFAA CCOC(=O)c1cc2cccc(Cl)c2[nH]1 6724754 HPDPSWAIDXFYTE-UHFFFAOYSA-N 223.659 2.998 0 50 BFAA in-vitro CC(C)(C)OC(=O)NC1(CN)CCCCCC1 6745077 RSFBSPVFWOQBJQ-UHFFFAOYSA-N 242.363 2.563 0 50 BFAA Cc1cccc(O[C@@H](C)C(=O)NC2CCCC2)c1 9190799 FPIDDTSSYDVODT-LBPRGKRZSA-N 247.338 2.821 0 50 BFAA OCc1ccccc1COc1ccccc1 12370594 RMRTWBZKENSMCI-UHFFFAOYSA-N 214.264 2.758 0 50 BFAA in-vitro c1ccc(-c2nnc(CNC3CCCC3)o2)cc1 12374333 JCFQQCMHEUVQDG-UHFFFAOYSA-N 243.310 2.769 0 50 BFAA Cc1cc(C)n(CNc2cccc(F)c2)n1 16310049 KPSYBEYAOTZZHO-UHFFFAOYSA-N 219.263 2.709 0 50 BFAA CCNC(=O)[C@H](C)Oc1ccccc1C(C)C 20493553 NQTJPAFYIVBPBI-NSHDSACASA-N 235.327 2.713 0 50 BFAA Cc1cc(Oc2cnc(O)nc2)ccc1Cl 25981628 FAPQPSHZLWEENN-UHFFFAOYSA-N 236.658 2.936 0 50 BFAA CCc1c(Cl)nnc(Cl)c1CC 34143553 NSDLGPQCQNDHHB-UHFFFAOYSA-N 205.088 2.908 0 50 BFAA in-vitro CCOC(=O)c1c(F)cccc1Cl 35101580 GRVKHBFLUGAABX-UHFFFAOYSA-N 202.612 2.656 0 50 BFAA CCC(=O)Cc1ccc(Br)cc1 37463966 VEZPNCFTZIKUEO-UHFFFAOYSA-N 227.101 2.971 0 50 BFAA in-vitro Clc1cccc(C[C@H]2CCCNC2)c1 38580683 SVWPVUICBWULGX-LLVKDONJSA-N 209.720 2.882 0 50 BFAA Cc1cccc(C(F)(F)F)c1C(=O)O 95933490 HNIHCUXXQZGRAU-UHFFFAOYSA-N 204.147 2.712 0 50 BFAA in-vitro C[C@H](O)[C@H](C)CCCCC[C@@H]1CCC(=O)O1 147878894 AVWSRVAFDWTTIH-GRYCIOLGSA-N 228.332 2.659 0 50 BFAA c1ccc2c(N[C@@H]3C[C@H]4CC[C@@H]3O4)ccnc2c1 158703729 WQCRPZUXAJUJFO-KMUNFCNLSA-N 240.306 2.967 0 50 BFAA CCc1cc(O)ccc1NC(=O)c1cscn1 191035819 CMTUVDRZMGMPQJ-UHFFFAOYSA-N 248.307 2.663 0 50 BFAA Fc1ccc2[nH]cc([C@H]3CCOC3)c2c1 255188122 IQACPEPZMKGXBU-QMMMGPOBSA-N 205.232 2.811 0 50 BFAA c1ccc2c(c1)CCc1nnc(C3CCC3)n1C2 2356162701 IVPVKUDHSHYFJU-UHFFFAOYSA-N 239.322 2.693 0 50 BFAA O=C(Nc1ccccc1)[C@H](O)C1CCCCC1 332047 KNNBOEMWWVSUES-CYBMUJFWSA-N 233.311 2.566 0 50 BFAA CC[C@@H](C)c1ccccc1NS(C)(=O)=O 383666 QGYZSPMMHZGTTM-SECBINFHSA-N 227.329 2.572 0 50 BFAA CCc1cccc(C)c1NC(=O)N(C)C 397282 YELRYOUMQUCMHV-UHFFFAOYSA-N 206.289 2.651 0 50 BFAA CN1CCC(N[C@@H]2CCCc3ccccc32)CC1 2498815 VFZFOACCGQGXNR-MRXNPFEDSA-N 244.382 2.748 0 50 BFAA COc1cc(F)ccc1Br 2541324 KGYXKRGMSUHYCY-UHFFFAOYSA-N 205.026 2.597 0 50 BFAA CCOc1ccc(Br)cc1CNC 2884102 GVTXDYNJFLOQEI-UHFFFAOYSA-N 244.132 2.567 0 50 BFAA CNCc1ccc2cc(OC)ccc2c1 4206411 XCUUFWUNKMAFMQ-UHFFFAOYSA-N 201.269 2.568 0 50 BFAA in-vitro CCN1C(=O)/C(=C2/CCCCN2)c2ccccc21 6520117 RQXPVBSEKVFCEX-OWBHPGMISA-N 242.322 2.538 0 50 BFAA biogenic O=C(NC1CC1)c1cccc(Cl)c1Cl 8130787 RZPOEUNYNZFFLF-UHFFFAOYSA-N 230.094 2.886 0 50 BFAA Cn1ccc2cccc(Br)c21 12370800 CALOMHQMSHLUJX-UHFFFAOYSA-N 210.074 2.941 0 50 BFAA in-vitro Oc1cc2cc[nH]c2cc1Br 13379625 URERMTGVHAWORS-UHFFFAOYSA-N 212.046 2.636 0 50 BFAA biogenic,in-vitro COc1ccc(-c2ccc(O)c(C=O)c2)cc1 16946431 WKGITZPAFQLBOL-UHFFFAOYSA-N 228.247 2.880 0 50 BFAA CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NC 20456157 AABOVXIFPVNSCK-SNVBAGLBSA-N 243.759 2.957 0 50 BFAA Nc1cc(Cl)ccc1OC(F)(F)F 21984714 KSBUTBXMRFVLND-UHFFFAOYSA-N 211.570 2.821 0 50 BFAA in-vitro Cc1ccsc1-c1nn2c(C)nnc2s1 36558994 YMCVAMYELKEFKH-UHFFFAOYSA-N 236.325 2.531 0 50 BFAA CCCc1cnc(-c2ccccc2CO)nc1 67974012 QTZYRHKEBQTTMW-UHFFFAOYSA-N 228.295 2.588 0 50 BFAA CSc1ccc(Br)c(C)n1 86032260 NJEIWMNWCZETTA-UHFFFAOYSA-N 218.119 2.874 0 50 BFAA in-vitro CC(C)[C@H]1OCC[C@@H]1CNC/C=C/c1ccco1 135763681 QCQGSXHZMHVMKX-UFYXKPLISA-N 249.354 2.944 0 50 BFAA Cc1nccn1Cc1cnc(Cl)cc1Cl 166004805 UNJUJVXLSJALHT-UHFFFAOYSA-N 242.109 2.942 0 50 BFAA CC[C@@H](Cc1ccc(C)cc1)N(C)CCC(=O)O 212294588 VCYDMBGTTJDGSG-AWEZNQCLSA-N 249.354 2.723 0 50 BFAA N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 238852860 HLLGJXAKKIPKMP-FMCRUOTFSA-N 235.171 2.855 0 50 BFAA O=C(Nc1ccccc1)N1CCC=C(F)C1 272532309 FQTAXTNMXOUSNB-UHFFFAOYSA-N 220.247 2.778 0 50 BFAA c1ccc(Nc2nc([C@@H]3CCOC3)cs2)nc1 273841125 GCWJAACWIZXSID-SECBINFHSA-N 247.323 2.786 0 50 BFAA Cc1nc([C@@H](C)NC(=O)C2CC=CC2)cs1 336003172 BRPQEEFHHBFLQD-MRVPVSSYSA-N 236.340 2.595 0 50 BFAA CC[C@H]1CCCC[C@H]1CN[C@@H]1C=C[C@H](CO)C1 585117512 IOULLYRZBDYVFK-ZQDZILKHSA-N 237.387 2.729 0 50 BFAA Cc1cnc(CN(C)[C@@H]2CCC(C)(C)C2)[nH]1 628256183 MMRXAFVUGBFTKA-LLVKDONJSA-N 221.348 2.729 0 50 BFAA Cc1cncc(NC(=O)[C@@]23CCCC[C@@H]2C3)c1 866405867 LHGUGFIOHLPGAD-BXUZGUMPSA-N 230.311 2.909 0 50 BFAA Cc1ccncc1NC(=O)[C@@H]1CCC2(CC2)C1 1875306419 FNCISWRYQRGLKF-LLVKDONJSA-N 230.311 2.909 0 50 BFAA C=CC(=O)Nc1c(F)cc(C)cc1Cl 1875368407 OXEPMOABHHTEGU-UHFFFAOYSA-N 213.639 2.912 0 50 BFAA COc1cc(Br)c(OC)cc1C 135409 YDRBZEYUYXQONG-UHFFFAOYSA-N 231.089 2.775 0 50 BFAA in-vitro CS(=O)(=O)Cc1c(Cl)cccc1Cl 138587 YQGFLUVOLNGRET-UHFFFAOYSA-N 239.123 2.538 0 50 BFAA CCN(CC)c1ccc(NC(C)=O)c(C)c1 364219 ORCJVXMOXNZNAY-UHFFFAOYSA-N 220.316 2.800 0 50 BFAA Cc1cccnc1NC(=O)CCc1ccccc1 369217 TZOYHBKRJBYQNF-UHFFFAOYSA-N 240.306 2.961 0 50 BFAA CCCc1ncnc2cc(OC)c(OC)cc12 406626 DQHGTGPWVKITMT-UHFFFAOYSA-N 232.283 2.600 0 50 BFAA CCSc1nnc2n(CC)c3ccccc3n12 1079896 MHAVDKYGKICZGG-UHFFFAOYSA-N 246.339 2.816 0 50 BFAA Cc1cc(C)n(C(=O)c2cccc(Cl)c2)n1 3108610 KUMAPKSXVRZRRF-UHFFFAOYSA-N 234.686 2.842 0 50 BFAA CC1(C)OC(=O)N2c3ccccc3N[C@]21C 3117610 JKRBDABZPIENTF-GFCCVEGCSA-N 218.256 2.564 0 50 BFAA C[C@H]1C[C@H]1C(=O)Nc1ccc(Cl)cc1 3433564 LDOICKODKWUUEX-OIBJUYFYSA-N 209.676 2.935 0 50 BFAA CC(=O)N(C(C)=O)c1ccccc1C(C)(C)C 5283446 GBLIVGHSBJUVEM-UHFFFAOYSA-N 233.311 2.884 0 50 BFAA CCCCc1nnc(-c2ccccc2N)o1 6697341 GJKJLOXWCPORFC-UHFFFAOYSA-N 217.272 2.661 0 50 BFAA CC1=CC(C)(C)Nc2c(C(=O)O)cccc21 12243704 XEJWPMCWXLNOMT-UHFFFAOYSA-N 217.268 2.992 0 50 BFAA biogenic CCNC/C=C/COc1cccc(C)c1C 16623226 FQVKHLWVDAVPOU-AATRIKPKSA-N 219.328 2.848 0 50 BFAA CCC[C@H](C)NC(=O)Cc1ccc(F)cc1 16970680 FGMHRRFHKDNVGZ-JTQLQIEISA-N 223.291 2.673 0 50 BFAA CN(CCc1ccccn1)Cc1cccc(F)c1 19841642 IHBQMCXUNRWLBQ-UHFFFAOYSA-N 244.313 2.895 0 50 BFAA Brc1coc(Br)c1 39248713 ZBZNCJRCPCNHQL-UHFFFAOYSA-N 225.867 2.805 0 50 BFAA COc1ccccc1[C@@H](C)NC(=O)C(C)C 49940531 WVOTZMNWSORPEZ-SNVBAGLBSA-N 221.300 2.528 0 50 BFAA O=Cc1c(Cl)cc(Cl)nc1Cl 59496372 RESMQRUOHBZJCA-UHFFFAOYSA-N 210.447 2.854 0 50 BFAA in-vitro Cc1ccnc(-n2ccnc2-c2ccccn2)c1 65488158 ALHCRSJIKWLXGU-UHFFFAOYSA-N 236.278 2.638 0 50 BFAA CC(C)Cc1nncn1-c1ccc(F)cc1F 67774081 YCHPCBUMGPUXKS-UHFFFAOYSA-N 237.253 2.744 0 50 BFAA c1ccc2ncc(-c3ncnc4nc[nH]c34)cc2c1 67803222 ZZKUANCBJUXYNF-UHFFFAOYSA-N 247.261 2.568 0 50 BFAA CCOCCOc1ccccc1Cl 70233478 CCHVDMWMIZUYMA-UHFFFAOYSA-N 200.665 2.755 0 50 BFAA CN1CCCC[C@@H]1Cc1ncnc2ccsc12 91441166 QBFHXGHUSAAAJZ-SNVBAGLBSA-N 247.367 2.718 0 50 BFAA CC[C@H](C)N1CCN(C[C@@H]2C[C@H]3C=C[C@H]2C3)CC1 100610170 GZCRAGOTMUZNSI-VGWMRTNUSA-N 248.414 2.615 0 50 BFAA Cc1ccccc1C(=O)N[C@H]1C[C@H]2CC[C@H]1C2 101667557 ZTIONCYYHVIAPN-OBJOEFQTSA-N 229.323 2.913 0 50 BFAA O=Cc1c(F)cccc1OCC(F)(F)F 145965770 QNQWATWCTLTYSE-UHFFFAOYSA-N 222.137 2.579 0 50 BFAA COc1ccc2[nH]c(=O)c3sccc3c2c1 150292826 GRFNKXDTGNQDOH-UHFFFAOYSA-N 231.276 2.751 0 50 BFAA Nc1cc(C(F)(F)F)cc(C2CC2)n1 225392592 JVJWNQGXMSDYDY-UHFFFAOYSA-N 202.179 2.560 0 50 BFAA in-vitro O=C(O)[C@@H]1[C@@H]2CC[C@H]3[C@@H](CC[C@H]21)C3(Cl)Cl 242547719 KTMXBVDXHDBMDV-HXLXBVJFSA-N 249.137 2.927 0 50 BFAA in-vitro C[C@H]1CCC[C@H](C(=O)N2C[C@H]3CC[C@H]2C3)C1 246846476 KDUUFGPDRQLGHN-CYDGBPFRSA-N 221.344 2.824 0 50 BFAA C[C@@H]1C[C@@H]1C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C 252212545 YLSHQKYEVVSIEL-BNDIWNMDSA-N 221.344 2.822 0 50 BFAA Cc1nc(-c2ccccc2OCC(C)C)n(C)n1 426442779 AFFLRCOMTKXADK-UHFFFAOYSA-N 245.326 2.825 0 50 BFAA Cc1cccnc1N1CCC[C@]2(CCC[C@H]2O)C1 1704304613 HLWHNVDMLSYILA-UKRRQHHQSA-N 246.354 2.521 0 50 BFAA Cc1ccc(NC(=O)c2ccc(O)cc2)cc1 60258 GMHDJSBGESVFMY-UHFFFAOYSA-N 227.263 2.953 0 50 BFAA OCc1nc2ccccc2n1Cc1ccccc1 237702 BMKLUFBUYHXGGH-UHFFFAOYSA-N 238.290 2.577 0 50 BFAA in-vitro CC(C)N(C(=O)Cc1cccs1)C(C)C 311123 DVVFTAMQSZGENH-UHFFFAOYSA-N 225.357 2.936 0 50 BFAA CCOC(=O)[C@H](C)Sc1ccccc1 399791 AFQJVOVRMATZLA-VIFPVBQESA-N 210.298 2.730 0 50 BFAA COc1ccc(C(=O)C(C)C)cc1OC 1691679 FGVRUUHJVIWSEN-UHFFFAOYSA-N 208.257 2.543 0 50 BFAA biogenic,in-vitro OC1c2ccccc2CCc2ccccc21 1760835 POAVRNPUPPJLKZ-UHFFFAOYSA-N 210.276 2.867 0 50 BFAA in-vitro CC(=O)c1ccccc1NC(=O)c1ccccn1 5495839 QXFJSNVYMDYTAU-UHFFFAOYSA-N 240.262 2.537 0 50 BFAA Cc1ccc(NC(=O)C2CCCC2)cc1N 8703531 QOPHTEQXHFKRIU-UHFFFAOYSA-N 218.300 2.706 0 50 BFAA in-vitro O=C(O)c1csc(-c2c(F)cccc2F)n1 11760894 OTYUISIBOBUOEO-UHFFFAOYSA-N 241.218 2.787 0 50 BFAA in-vitro Cc1ccc(NC(=O)NCc2ccccn2)cc1 12476076 HOGKDEGSFNCKPD-UHFFFAOYSA-N 241.294 2.712 0 50 BFAA O=C(O)c1c[nH]c2c(Br)cccc12 12650051 RMWZYIREGHRJOQ-UHFFFAOYSA-N 240.056 2.629 0 50 BFAA O=c1[nH]c(=S)[nH]c2sc3c(c12)CCCC3 18251019 RSNWFCGFCZRUBO-UHFFFAOYSA-N 238.337 2.526 0 50 BFAA O=C1c2ccccc2[C@@H]2C(=O)c3ccccc3[C@@H]12 18283608 IJSLGPMHLYJZSU-OKILXGFUSA-N 234.254 2.947 0 50 BFAA COc1ccc(Cl)cc1-c1ncc(C)c(N)n1 19143797 ILZKCVXPBQDHNF-UHFFFAOYSA-N 249.701 2.696 0 50 BFAA O=C(O)[C@@H]1C[C@H]1c1ccccc1Br 37380951 SJXGNJABBYVEHY-JGVFFNPUSA-N 241.084 2.637 0 50 BFAA in-vitro O=C(O)c1c(F)c(F)cc(Cl)c1Cl 67800190 FJCBZAPTIBDPQA-UHFFFAOYSA-N 226.993 2.970 0 50 BFAA CC1=CC[C@H]2CO[C@H](c3ccc[n+](C)c3)[C@H]1C2 139319953 QHCWCHOUDLMCMJ-VHDGCEQUSA-N 230.331 2.555 0 50 BFAA O=C(Nc1ccc(O)cc1)Nc1ccc(F)cn1 170087880 DAZPFGIOTSGVJE-UHFFFAOYSA-N 247.229 2.570 0 50 BFAA Cc1c(N[C@H]2CCO[C@H]2C)cnn1C1CCCC1 195456718 PPBAZISJLKBGBZ-AAEUAGOBSA-N 249.358 2.896 0 50 BFAA O=C(O)/C=C1\CCC[C@H](C(F)(F)F)C1 212666018 IHTSSULWRABKPS-XPPMVYLVSA-N 208.179 2.750 0 50 BFAA Cc1c2cc(Br)c(F)cc2nn1C 307338412 QJMZJPTZUFZVAA-UHFFFAOYSA-N 243.079 2.783 0 50 BFAA C[C@@H]1CCC(=O)C[C@H]1OCc1ccco1 725359196 CFXRZHPGMXGUEQ-BXKDBHETSA-N 208.257 2.554 0 50 BFAA CCc1cnc(C)nc1NC1(C)CCC1 1704307548 JRXLPSTUNZQVBE-UHFFFAOYSA-N 205.305 2.702 0 50 BFAA O=C(O)c1c(C(F)F)nc2c(Cl)cccn12 1857783248 CXXJQIWNJGVSQW-UHFFFAOYSA-N 246.600 2.624 0 50 BFAA CC[C@@H]1COCc2nnc(-c3cccc(F)c3)n21 2100483346 MXIVLQMSZRWNMX-LLVKDONJSA-N 247.273 2.566 0 50 BFAA CC(=O)OC(C)(C)CCc1ccccc1 410082 ZXFNOEJFYLQUSB-UHFFFAOYSA-N 206.285 2.961 0 50 BFAA endogenous,in-man O=C(/C=C/c1ccc(Cl)cc1)NC1CC1 472982 RAQMJTXZWPGVRT-FPYGCLRLSA-N 221.687 2.632 0 50 BFAA CCOc1ccc(C(=O)c2ccncc2)cc1 614707 RXAJQAWCYNWNGK-UHFFFAOYSA-N 227.263 2.711 0 50 BFAA O=C(Cc1c(F)cccc1Cl)N1CCCC1 614953 BPHRJUBBFCXQJH-UHFFFAOYSA-N 241.693 2.644 0 50 BFAA Oc1ccccc1OCCOc1ccccc1O 2030380 PRYNAEBLJBDWPF-UHFFFAOYSA-N 246.262 2.556 0 50 BFAA COCCNCc1cccc2ccccc12 2555536 IIZKUOGJNGDFJJ-UHFFFAOYSA-N 215.296 2.576 0 50 BFAA CC(C)Oc1ccc2c(c1)CCCC2=O 4267182 PKEDWOXXOSCINP-UHFFFAOYSA-N 204.269 2.993 0 50 BFAA Sc1nnc(SC2CCCC2)s1 5624754 ZYMSWMCWKMPJQW-UHFFFAOYSA-N 218.372 2.862 0 50 BFAA Cc1nc(NC2CCCCC2)sc1C(=O)O 8024727 KSHULPRHPKLIKH-UHFFFAOYSA-N 240.328 2.894 0 50 BFAA Nc1cc(Oc2ncccn2)c(Cl)cc1F 12336327 KQXSKQIBNOCQGQ-UHFFFAOYSA-N 239.637 2.644 0 50 BFAA Cc1cccc(C)c1N1CCc2cn[nH]c21 18137378 BVAWPUMRTMTGLV-UHFFFAOYSA-N 213.284 2.721 0 50 BFAA CCN(CCN(C)C)[C@H](C)CCc1ccccc1 19636395 DLFZAIATCCFMEW-OAHLLOKOSA-N 248.414 2.891 0 50 BFAA COc1cc(/C=C\[N+](=O)[O-])cc(Cl)c1OC 44628651 AYULBTLOYLJHSB-ARJAWSKDSA-N 243.646 2.605 0 50 BFAA CC(C)=C1C(=O)N[C@@H](C)/C1=C/c1ccccc1 102318521 FMVUWBOOZCUMBD-KWJWQAOWSA-N 227.307 2.925 0 50 BFAA CC(=O)c1ccc2c(c1)COC(C)(C)O2 114923496 GWGAWPNKXNYQLT-UHFFFAOYSA-N 206.241 2.534 0 50 BFAA in-vitro CC1=CCC[C@H](C)[C@H]1CNC[C@@H](C)CCO 152610093 GAKCVXHXPKZVEE-UBHSHLNASA-N 225.376 2.587 0 50 BFAA CCC(CC)[C@@H]1CCN(CCC2OCCO2)C1 170597021 CKVQADITXFCEPG-CYBMUJFWSA-N 241.375 2.508 0 50 BFAA CCc1sc(N)nc1-c1ccccc1O 258453161 LRPLSQQRPQEYMW-UHFFFAOYSA-N 220.297 2.660 0 50 BFAA O=C(C[C@@H]1C=CCC1)NCC1=CCCCC1 295713272 CAXGZKILWCKQBF-GFCCVEGCSA-N 219.328 2.959 0 50 BFAA COCCC(C)(C)NC(=O)[C@@H](C)c1ccccc1 338865875 PIAHBPOOTCWMQG-LBPRGKRZSA-N 249.354 2.721 0 50 BFAA CNC(=O)c1cccnc1/C=C/c1ccccc1 426515516 LFAVVIRBFKXFJG-MDZDMXLPSA-N 238.290 2.612 0 50 BFAA C=CC(=O)N[C@@H]1C[C@H](C)c2ccccc21 888102393 UNNDJBFQJLJXBU-JOYOIKCWSA-N 201.269 2.537 0 50 BFAA Cc1nsc(N2CC=CC23CCCCC3)n1 1336366378 AZKYAOKTXYFJHG-UHFFFAOYSA-N 235.356 2.926 0 50 BFAA CCC(=O)Nc1nc2ccccc2s1 97535 RYWYJGXIHQNKFE-UHFFFAOYSA-N 206.270 2.645 0 50 BFAA CCc1cccc2c(CCN)c(C)[nH]c12 140720 IWNGCKQETUQCNC-UHFFFAOYSA-N 202.301 2.540 0 50 BFAA in-vitro C[C@@H](Cc1ccccc1F)NC[C@@H]1CCCO1 214718 DUEQJUKVKXYDGZ-AAEUAGOBSA-N 237.318 2.525 0 50 BFAA CC(C)c1ccc(OCC(=O)N2CCCC2)cc1 303189 ZVMJMVBFZKGCNF-UHFFFAOYSA-N 247.338 2.811 0 50 BFAA CCCC(=O)OCc1ccc(OC)cc1 397605 MEPOOZLETHNMSR-UHFFFAOYSA-N 208.257 2.539 0 50 BFAA endogenous,in-man C[C@@H]1CCCN(C(=O)c2ccccc2)C1 1480335 KXEVGKCOPOYOFG-LLVKDONJSA-N 203.285 2.559 0 50 BFAA CSc1cccc(N[C@H]2CN3CCC2CC3)c1 3684141 UHHDNZANHAVZRM-AWEZNQCLSA-N 248.395 2.915 0 50 BFAA CCc1nnc2sc(-c3ccccc3C)nn12 4857411 IVBURGHARYEBNR-UHFFFAOYSA-N 244.323 2.724 0 50 BFAA Clc1cccc(Cl)c1CN1CCOCC1 19634403 MUOVEEIXKXOODD-UHFFFAOYSA-N 246.137 2.826 0 50 BFAA CCOC(=O)c1cnc(-c2ccccc2)s1 34017460 ROKNTXACUCMRQU-UHFFFAOYSA-N 233.292 2.987 0 50 BFAA Cc1c(F)c(F)cc(C2=NC(C)(C)CO2)c1F 34454699 SLWCAJZXIPUHCV-UHFFFAOYSA-N 243.228 2.968 0 50 BFAA O=C(O)c1cccc2c(Cl)nccc12 35270024 KBTGRZFORDXMSV-UHFFFAOYSA-N 207.616 2.586 0 50 BFAA in-vitro Brc1ccnc(NC2CCCC2)n1 71787919 KRYKNKFLOGYGRL-UHFFFAOYSA-N 242.120 2.594 0 50 BFAA Fc1cc(Br)cc2nccnc12 71790066 MWNUJVQOZMVOAW-UHFFFAOYSA-N 227.036 2.531 0 50 BFAA Cc1ccc(Nc2cc(C)nc(N)n2)c(C)c1 72437657 HKDCXDXQSYTXNJ-UHFFFAOYSA-N 228.299 2.728 0 50 BFAA Oc1ccc2nc(Cl)nc(Cl)c2c1 95934981 WDEBJOAZHFREQG-UHFFFAOYSA-N 215.039 2.642 0 50 BFAA COc1ccc(-c2cccc([C@H](C)O)n2)cc1F 96152442 UBNKXHDLXZBNIP-VIFPVBQESA-N 247.269 2.950 0 50 BFAA COC(=O)c1cc(C)c(Br)cc1F 114705678 SXMJSKFXHSYZKT-UHFFFAOYSA-N 247.063 2.683 0 50 BFAA Cc1ccc([C@@H]2CCCCN2CC(=O)O)cc1 237784457 MZANCAZGBGPPPM-ZDUSSCGKSA-N 233.311 2.607 0 50 BFAA CC1=CCC[C@H](C)[C@@H]1CNC[C@H]1CCCO1 245853224 GRUXOBZAZYLTME-BFHYXJOUSA-N 223.360 2.747 0 50 BFAA CCCNC(=O)c1cc(F)cc(Cl)c1 261493592 FJIZNTKZNTVRRQ-UHFFFAOYSA-N 215.655 2.619 0 50 BFAA CC(C)c1nccn1Cc1ccncc1F 334587062 MUSFZUGYVBAFTL-UHFFFAOYSA-N 219.263 2.589 0 50 BFAA CCc1csc(NC(=O)[C@H]2CC2(C)C)n1 337402904 MBYFRMLQBXSTEZ-MRVPVSSYSA-N 224.329 2.690 0 50 BFAA Nc1ccc(-c2ccc(C(=O)O)s2)cc1F 725260969 BOJOALOLAHKSDI-UHFFFAOYSA-N 237.255 2.835 0 50 BFAA Cc1cccnc1N1CCO[C@@H](CC(C)C)C1 1506402810 LZCMSAXVWZRHNJ-ZDUSSCGKSA-N 234.343 2.641 0 50 BFAA CCn1ncc(-c2cc(OC)ccc2OC)c1C 2356167987 LAEZAUUXECAQPL-UHFFFAOYSA-N 246.310 2.896 0 50 BFAA CCCN(CCC)C(=O)Cc1cccs1 30679 JVJMIVHRLZJQHY-UHFFFAOYSA-N 225.357 2.939 0 50 BFAA C[C@@H]1CCCCN1C(=O)c1cccc(F)c1F 89599 YBYVIPVNILNOOQ-SECBINFHSA-N 239.265 2.979 0 50 BFAA Cn1nc(C(F)(F)F)c(-c2ccccc2)c1N 110577 KCCKFLAAEZFOPE-UHFFFAOYSA-N 241.216 2.688 0 50 BFAA CCC1(CC)Cc2ccccc2C(=O)N1 218584 QQWIGIUAHJECSB-UHFFFAOYSA-N 203.285 2.531 0 50 BFAA CC1(C)CNC(C)(C)[C@@H]2c3ccccc3N[C@H]21 271591 SRAZHGXLNZUJMK-CHWSQXEVSA-N 230.355 2.972 0 50 BFAA Cn1c(NCc2ccncc2)nc2ccccc21 318709 UMCLINVFOMXKED-UHFFFAOYSA-N 238.294 2.580 0 50 BFAA CCNC(=O)Nc1c(C)cccc1Cl 397990 KRSIEZWWLUYRAO-UHFFFAOYSA-N 212.680 2.790 0 50 BFAA Cc1ccc(C(=O)c2ccccc2)c(N)c1 407110 YINYAGBOKBLJHY-UHFFFAOYSA-N 211.264 2.808 0 50 BFAA in-vitro [O-][n+]1ccc(Cl)c2ccc(Cl)cc21 1718229 VHGJNAHFEWJQKX-UHFFFAOYSA-N 214.051 2.780 0 50 BFAA CC[C@H](C)NCCOc1ccccc1F 2825109 FTMVERSSTZVBFJ-JTQLQIEISA-N 211.280 2.593 0 50 BFAA CCCCCOC(=O)c1ccccc1C(=O)O 2835855 FPGPRAKRYDSZAW-UHFFFAOYSA-N 236.267 2.732 0 50 BFAA biogenic,in-vitro O=C(O)c1cc2cccc(C(F)(F)F)c2[nH]1 3748649 PISPPXUYIZNQMU-UHFFFAOYSA-N 229.157 2.885 0 50 BFAA in-vitro O=C(O)C[C@H](c1ccccc1)c1ccccc1O 5486760 MTZAQHDJUHDYAN-CYBMUJFWSA-N 242.274 2.999 0 50 BFAA COc1cc2nccc(Cl)c2cc1OC 6483921 WRVHQEYBCDPZEU-UHFFFAOYSA-N 223.659 2.905 0 50 BFAA CC(=O)CC(=O)C12CC3CC(CC(C3)C1)C2 26514751 WXIPGNOIXHPGGJ-UHFFFAOYSA-N 220.312 2.751 0 50 BFAA O=CNc1ccc(Br)c(Cl)c1 39322512 LBWDMAXIFXQRGP-UHFFFAOYSA-N 234.480 2.671 0 50 BFAA Cc1ccc(Nc2nc(C)c(C)c(=O)[nH]2)cc1C 66324451 XLZOAIQEJKGKCB-UHFFFAOYSA-N 243.310 2.747 0 50 BFAA COC(=O)C12[C@H]3CCC[C@H]1C32c1ccccc1 100727611 UFFJPNHYMWRIBN-XOEAPDPESA-N 228.291 2.527 0 50 BFAA CCc1nc(CN[C@@H]2CCCSC2)cs1 129247971 VYYLKRJAAHXKFP-SECBINFHSA-N 242.413 2.691 0 50 BFAA Cc1ccc(C)c(NC(=O)Nc2cccnn2)c1 170087932 PHGXEXKFRSBQTC-UHFFFAOYSA-N 242.282 2.737 0 50 BFAA FCC1CCN(CC2CC(F)(F)C2)CC1 336261916 SVLSOUGWEXTPQO-UHFFFAOYSA-N 221.266 2.713 0 50 BFAA Cc1cnc([C@H](C)NC(=O)CCC(C)(C)C)[nH]1 426526046 JSCDNTHSORXRHT-JTQLQIEISA-N 237.347 2.722 0 50 BFAA C[C@@H]1CCC(=O)C[C@@H]1OCc1ccco1 725359207 CFXRZHPGMXGUEQ-SKDRFNHKSA-N 208.257 2.554 0 50 BFAA C=CC(=O)Nc1ccc(-c2nccc(C)n2)cc1 1335317382 WQOUCVHPJWGWMM-UHFFFAOYSA-N 239.278 2.577 0 50 BFAA COc1ccc(C(=O)c2ccc(OC)cc2)cc1 56447 RFVHVYKVRGKLNK-UHFFFAOYSA-N 242.274 2.935 0 50 BFAA in-vitro CC(=O)Nc1nc(-c2ccc(F)cc2)cs1 68849 NYWCTWHBTYXUBW-UHFFFAOYSA-N 236.271 2.908 0 50 BFAA OC[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 211184 LIZSEDKZNXDJBH-GFCCVEGCSA-N 239.746 2.544 0 50 BFAA C[C@H]1CO[C@@H](C[C@H](C)CCCC(C)(C)O)O1 295522 AKZXNDJMPSPJQM-GRYCIOLGSA-N 230.348 2.715 0 50 BFAA CC(C)c1cc(C(=O)O)n(-c2ccccc2)n1 380536 DMPWMPQUUGGLKC-UHFFFAOYSA-N 230.267 2.694 0 50 BFAA in-vitro Clc1ncc(Br)c(Cl)n1 1559999 SIKXIUWKPGWBBF-UHFFFAOYSA-N 227.876 2.546 0 50 BFAA in-vitro COCCOC(=O)Nc1cc(Cl)ccc1C 1646540 HSENKMYBQRPZEI-UHFFFAOYSA-N 243.690 2.843 0 50 BFAA C1CCN(P(N2CCCC2)N2CCCC2)C1 2387260 PXFLCAQHOZXYED-UHFFFAOYSA-N 241.319 2.501 0 50 BFAA CC[C@@H](C)NCCOc1ccc(F)cc1 2823105 GWERFYAUHIWJAQ-SNVBAGLBSA-N 211.280 2.593 0 50 BFAA Cc1csc(NC(=O)C2CCCC2)n1 3562018 CQQOAZQAGVSFLZ-UHFFFAOYSA-N 210.302 2.580 0 50 BFAA Cc1ccc(C(=O)N[C@@H](C)c2ccncc2)cc1 5636091 JFWUTLKQFUMAID-LBPRGKRZSA-N 240.306 2.881 0 50 BFAA Cc1nc2c(cnn2-c2ccccc2)c(=S)[nH]1 5730851 QFKKQRAXWCUWTD-UHFFFAOYSA-N 242.307 2.787 0 50 BFAA COC(=O)c1cccc(-c2cccnc2)c1 6712827 HLFKAFNNGCVRIQ-UHFFFAOYSA-N 213.236 2.535 0 50 BFAA CCc1ccc(NC(=O)NC[C@H]2CCCO2)cc1 6741530 ZAXIWFGAGXGJBV-CYBMUJFWSA-N 248.326 2.550 0 50 BFAA O=C(NCCc1ccc(F)cc1)C1CCCC1 13327869 XPOCAAPTFIVUCO-UHFFFAOYSA-N 235.302 2.675 0 50 BFAA c1cncc(CNc2nc3ccccc3[nH]2)c1 20153768 MBHCMZWEOUBOFS-UHFFFAOYSA-N 224.267 2.570 0 50 BFAA in-vitro COc1cccc(C(F)(F)F)c1C=O 38529854 LLBTYKHVRXDHKF-UHFFFAOYSA-N 204.147 2.527 0 50 BFAA CC1(C)Cc2nc(C(C)(C)C)ncc2[C@H](N)C1 50094266 NFOGQDOVCSGZTB-SNVBAGLBSA-N 233.359 2.746 0 50 BFAA O=C(c1nc2ccccc2[nH]1)N1CCCCCC1 82271603 SQWBLHWTPGRBOW-UHFFFAOYSA-N 243.310 2.579 0 50 BFAA N[C@H]1C[C@@H]1c1ccc(-c2cccc(O)c2)cc1 114026926 DSOJSZXQRJGBCW-CABCVRRESA-N 225.291 2.874 0 50 BFAA in-vitro CNc1cc(Cl)ccc1OC[C@H]1CCOC1 187374561 JSFXRSHYETZAQS-VIFPVBQESA-N 241.718 2.797 0 50 BFAA NCc1ccccc1-c1cccc(C(=O)O)c1 199648245 SUXWMRXCMVBJDI-UHFFFAOYSA-N 227.263 2.511 0 50 BFAA CC(C)(C)OC(=O)N1CCC[C@@]12CCCC2=O 238083326 BHTLCXQCKBZQTH-CYBMUJFWSA-N 239.315 2.509 0 50 BFAA CC(C)(C)COc1ccc2c(c1)CCNC2 258051628 PBMJLUBRGYXFHX-UHFFFAOYSA-N 219.328 2.757 0 50 BFAA Cc1nccc(OC(F)F)c1Br 263624920 VEZDWMSDGBUVEM-UHFFFAOYSA-N 238.031 2.754 0 50 BFAA CCCN(CCO)CC1=CC[C@H]2C[C@H]1C2(C)C 504170574 MPKIIGPFHJAQPX-UONOGXRCSA-N 237.387 2.683 0 50 BFAA biogenic CC(C)(C)c1onc(-c2ccc[nH]2)c1C(=O)O 675057718 LLDIDNGIAWYLOS-UHFFFAOYSA-N 234.255 2.665 0 50 BFAA Cc1ccnn1CCN1CC[C@@H]2CCCC[C@H]2C1 1506415061 JYZVSYMWLJEYEZ-GJZGRUSLSA-N 247.386 2.704 0 50 BFAA CCO[C@@H](C)c1ccc(-c2cncc(N)n2)cc1 2100539537 MZLJMTLFIZDYBQ-JTQLQIEISA-N 243.310 2.823 0 50 BFAA F[C@@H]1CCC[C@H](CN2CCn3cccc3C2)C1 2325771698 IARMGAFERSJFIA-QWHCGFSZSA-N 236.334 2.832 0 50 BFAA CC(=O)Cn1c(C(F)(F)F)nc2ccccc21 445265 KXFCKYZEWABJTC-UHFFFAOYSA-N 242.200 2.644 0 50 BFAA O=C(NCc1cccs1)c1ccccc1F 473748 WUNOHUYJZKAZSQ-UHFFFAOYSA-N 235.283 2.817 0 50 BFAA Nc1ccccc1C(=O)CSc1ccccn1 1421248 KNIKMLBIKOSVHP-UHFFFAOYSA-N 244.319 2.639 0 50 BFAA COc1cccc(-c2ccc(CC(=O)O)cc2)c1 2581008 RWCAHCLLXAXLGN-UHFFFAOYSA-N 242.274 2.989 0 50 BFAA in-vitro Cc1cccc(C)c1NC(=O)C1(O)CCCCC1 3160474 QQCBLNYQIWUEJC-UHFFFAOYSA-N 247.338 2.937 0 50 BFAA CC1(C)OC(c2ccc(N)cc2)OC1(C)C 5523089 VGSFQOQXAQWYKT-UHFFFAOYSA-N 221.300 2.871 0 50 BFAA O=C(/C=C/c1nc2ccccc2s1)NC1CC1 6433320 YYNSPDQLJZUMIM-BQYQJAHWSA-N 244.319 2.588 0 50 BFAA CC(=O)Nc1ccc(C(C)(C)C)cc1C(=O)O 12379703 JIFAYRBNZNBMNZ-UHFFFAOYSA-N 235.283 2.641 0 50 BFAA CO[C@H]1CCCC[C@@H]1NC1CCCCC1 16667406 PUUBMYORYPUWEI-STQMWFEESA-N 211.349 2.866 0 50 BFAA Cc1ccc(N2CCC(=O)CC2)cc1Cl 19090656 AQYBAIHPUWXOAS-UHFFFAOYSA-N 223.703 2.818 0 50 BFAA in-vitro O=C(O)c1cc(-c2cc(O)cc(F)c2)cs1 65340954 UUTMQRCQJZKQLM-UHFFFAOYSA-N 238.239 2.958 0 50 BFAA in-vitro CC(C)c1ccc(-c2ccc(C(N)=O)cn2)cc1 67605388 PLGPONHGJQVWSB-UHFFFAOYSA-N 240.306 2.971 0 50 BFAA c1nc2ccc(-c3ccc4c(c3)OCO4)cc2[nH]1 67674402 LKZCKCIMWBWOKC-UHFFFAOYSA-N 238.246 2.959 0 50 BFAA C[C@@H]1CN(C2CCCCCC2)C[C@@H](C)O1 71932230 BFECLFVABJFORV-VXGBXAGGSA-N 211.349 2.818 0 50 BFAA Oc1cc(-c2cccs2)cc2c1OCCNC2 91645904 ZQFLTCZBEJWDGJ-UHFFFAOYSA-N 247.319 2.603 0 50 BFAA CC(C)(C#N)c1ccc(-c2cncc(N)n2)cc1 146764559 HQNCUWJJNKTUDQ-UHFFFAOYSA-N 238.294 2.527 0 50 BFAA CN(C)c1ccc(Br)c(Cl)n1 238310537 OLUIGTZUBROYNN-UHFFFAOYSA-N 235.512 2.564 0 50 BFAA CC1=Cc2c3c(c4ccccc4c2=C1)=CC=CC3 584577819 KGTFMYAKTDSVTE-UHFFFAOYSA-N 230.310 2.930 0 50 BFAA CC(C)[C@@]12C[C@@H](NC(=O)N1C)c1ccccc1O2 1776003680 DHFSINOVEDKCRR-RISCZKNCSA-N 246.310 2.518 0 50 BFAA O=C(Nc1ccc(F)nc1)N1CC[C@H]2CCC[C@H]21 1875263772 IPRMPNKKWNCCPM-MWLCHTKSSA-N 249.289 2.627 0 50 BFAA C[C@H](O)[C@H](C)CCCCC[C@H]1CCC(=O)O1 2332918127 AVWSRVAFDWTTIH-WOPDTQHZSA-N 228.332 2.659 0 50 BFAA CC(C)n1c([C@H](C)O)nc2ccccc21 210243 HCAAICKZPITSJW-VIFPVBQESA-N 204.273 2.671 0 50 BFAA CC(C)n1cnc2c(=O)oc3ccccc3c21 272774 VOQYOAGHEUDKBD-UHFFFAOYSA-N 228.251 2.724 0 50 BFAA Clc1ncnc2sc3c(c12)CCC3 289846 JKXJMJPJOYMQSK-UHFFFAOYSA-N 210.689 2.833 0 50 BFAA in-vitro COCC(=O)Nc1ccc(Cl)c(Cl)c1 363468 SWLGNMLECWYELD-UHFFFAOYSA-N 234.082 2.578 0 50 BFAA Cc1c(Cl)cccc1NC(=O)SCCO 2166026 TXOIUWDWTSUQPL-UHFFFAOYSA-N 245.731 2.906 0 50 BFAA Fc1ccccc1COc1ccccn1 4663237 VWAVLCSTMVFNLC-UHFFFAOYSA-N 203.216 2.800 0 50 BFAA Cc1ccc(CN(C)C2CCN(C)CC2)cc1 4978121 BHHSJAFDBBXQJW-UHFFFAOYSA-N 232.371 2.521 0 50 BFAA CCCCNC(=O)c1cc(C)cc(C)c1 13329839 SFBUGRSGACNSHS-UHFFFAOYSA-N 205.301 2.833 0 50 BFAA CC(=O)c1cnn(-c2ccc(C)cc2)c1C 15015014 ZMUAIJAFDCPXNT-UHFFFAOYSA-N 214.268 2.692 0 50 BFAA in-vitro COC(=O)c1cccc(-c2ccccc2O)c1 16945827 BRGRVHYFRYIRLD-UHFFFAOYSA-N 228.247 2.846 0 50 BFAA in-vitro Clc1ccc2c(c1)CCC1(CCNCC1)O2 36141510 NKQVDPDIJRAJLL-UHFFFAOYSA-N 237.730 2.787 0 50 BFAA COc1cc(-c2cccc(C(=O)O)c2)ccc1O 65336985 CJSQCDOAVLQBRY-UHFFFAOYSA-N 244.246 2.766 0 50 BFAA in-vitro CC(C)(C)C(=O)O[C@@H]1C(=O)CC[C@@H]2[C@@H]1C2(C)C 101144004 LMTBILDNMJSHOU-DVVUODLYSA-N 238.327 2.579 0 50 BFAA CN1CC[C@@H](c2ccc(Br)cc2)C1 115000062 OCGSYMRQRAOKEG-SNVBAGLBSA-N 240.144 2.868 0 50 BFAA in-vitro O=C(Nc1cc(Cl)c(O)cc1F)C1CC1 170206909 YVIDIHSEPYODDD-UHFFFAOYSA-N 229.638 2.533 0 50 BFAA C=CC(=O)N1CC[C@H](C)[C@@H]2CCCC[C@@H]21 225567600 IWHQRAYKFVECER-SRVKXCTJSA-N 207.317 2.600 0 50 BFAA O=C1[C@H]2C=C[C@H]1[C@H]1[C@H]3C[C@@H](c4ccccc43)[C@H]21 247709590 IBMKGOBRXZCXBC-LZXPERKUSA-N 222.287 2.888 0 50 BFAA C[C@@H]1CN([C@@H](C)C(=O)O)CC[C@@H]1c1ccccc1 299747160 CFSFGSDZQVOUKJ-DYEKYZERSA-N 247.338 2.585 0 50 BFAA O=C(N[C@@H]1CC=CCC1)[C@H]1CC12CCCC2 336346843 BRJIQGRHOJNZJJ-VXGBXAGGSA-N 219.328 2.792 0 50 BFAA Cn1cc(CN2CCCC[C@@H]2C2CCC2)cn1 585089100 FYEGAIYACHDVBQ-CQSZACIVSA-N 233.359 2.575 0 50 BFAA Cc1nc2c(s1)[C@H](NCc1ccon1)CCC2 766422024 ZVQZRYXEOMBWBF-SNVBAGLBSA-N 249.339 2.607 0 50 BFAA CCCC[B-]1(CCCC)N[C@H](C)N[C@H](C)N1 1848444176 SFHJIWKJGAXQNC-TXEJJXNPSA-N 226.197 2.503 0 50 BFAA Cc1nc(-c2ccc(CO)cc2)nc(C)c1C 2100547848 OXHLYUGGHAARKZ-UHFFFAOYSA-N 228.295 2.561 0 50 BFAA CC[C@H](C(=O)N1CCCC1)c1ccccc1 30579 OICBYWFQUKULES-ZDUSSCGKSA-N 217.312 2.803 0 50 BFAA CC[C@H](Sc1nc2ccccc2[nH]1)C(=O)O 91120 PUNPYITWFHQFFX-VIFPVBQESA-N 236.296 2.518 0 50 BFAA Cc1ccc(CCNC(=O)NC(C)(C)C)cc1 137699 LYLBWAJKHAOCLX-UHFFFAOYSA-N 234.343 2.635 0 50 BFAA Cc1cccc(CSc2nnc(N)s2)c1 151316 IGGNLNYRCDYOLB-UHFFFAOYSA-N 237.353 2.721 0 50 BFAA Cc1cc(C)c(C(N)=O)c(Nc2ccccc2)n1 238761 YQAXTGBLDONCMW-UHFFFAOYSA-N 241.294 2.541 0 50 BFAA CC(C)c1ccc(C(=O)CN(C)C)cc1 247387 BPVSFKBRFRXKOW-UHFFFAOYSA-N 205.301 2.554 0 50 BFAA CCN(CC)CCCOc1ccc(F)cc1 2497115 NWAFQDTYGDRMSZ-UHFFFAOYSA-N 225.307 2.936 0 50 BFAA CCCCOC[C@H](O)CSCCCC 2870992 HOPLYCXOTGEXLU-NSHDSACASA-N 220.378 2.697 0 50 BFAA CN[C@H](C)c1ccccc1C(F)(F)F 8698421 MSIIWASETQDPAJ-SSDOTTSWSA-N 203.207 2.986 0 50 BFAA in-vitro Sc1nnc(/C=C/c2ccccc2)o1 13122466 KNRDDHQQKURIEX-VOTSOKGWSA-N 204.254 2.529 0 50 BFAA Cc1noc(-c2ccccc2NC(=O)C(C)C)n1 22462961 QDNQDUQNHRXRAN-UHFFFAOYSA-N 245.282 2.640 0 50 BFAA N#CNC(c1ccccc1)c1ccccc1 27526950 MGNSFCPBKOUHBL-UHFFFAOYSA-N 208.264 2.847 0 50 BFAA Cc1ccc(C(=O)CC(=O)c2ccco2)c(O)c1 100142888 CLCWHQRLCMKVKI-UHFFFAOYSA-N 244.246 2.749 0 50 BFAA Cc1ccccc1[C@@H]1CCCN1CCCC(=O)O 116360021 RWANTCOMYFULSG-AWEZNQCLSA-N 247.338 2.997 0 50 BFAA COc1ccncc1NC(=O)Nc1ccccc1 133851233 KFQJCEHAFDTTTG-UHFFFAOYSA-N 243.266 2.734 0 50 BFAA CNc1cccc([C@H](O)c2ccccc2)c1 238320130 UKTTXKXVEDASHE-CQSZACIVSA-N 213.280 2.810 0 50 BFAA CN(C1CCCCC1)[C@H]1CC[C@H](N)CC1 242648397 QWQBDXHRZMHGIG-AULYBMBSSA-N 210.365 2.521 0 50 BFAA c1ccc(CN2CC[C@H](C3CCOCC3)C2)cc1 336482229 ZVWSMPFTBDGCNS-INIZCTEOSA-N 245.366 2.935 0 50 BFAA C=CC(=O)Nc1ccc(OC2CCCC2)nc1 848979047 JSHXPDWBZFMKCZ-UHFFFAOYSA-N 232.283 2.528 0 50 BFAA Cc1cc(N)n(-c2cc(C)c3ccccc3n2)n1 126079 MRXLQLYHWDBUCH-UHFFFAOYSA-N 238.294 2.620 0 50 BFAA O=C(O)[C@H]1C[C@H]1c1ccc(Br)cc1 215409 DPBUJVBXRABXRH-IUCAKERBSA-N 241.084 2.637 0 50 BFAA CNc1nnc(SCc2ccccc2)s1 314319 KFLNRVSOQJTXDG-UHFFFAOYSA-N 237.353 2.872 0 50 BFAA Fc1ccc(Br)c(F)c1F 389519 MUUAQFJJUGVBGB-UHFFFAOYSA-N 210.980 2.866 0 50 BFAA biogenic,in-vitro CCN(CC[n+]1ccccc1)c1ccccc1 404137 BLFRKYDCARSEKI-UHFFFAOYSA-N 227.331 2.501 0 50 BFAA Nc1ccccc1C(=O)Cc1ccccc1 1059491 SHCZEDMZASVGHP-UHFFFAOYSA-N 211.264 2.694 0 50 BFAA O=Cc1cccnc1-c1ccc(F)cc1 3884531 YKTWLDISGWOJSC-UHFFFAOYSA-N 201.200 2.700 0 50 BFAA CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)O 6048919 NMMDCNBSSRFWTE-JTQLQIEISA-N 228.675 2.890 0 50 BFAA C[C@H]1CN(C)Cc2cc(Cl)ccc2O1 12037697 QUDKNYKJECPHQF-QMMMGPOBSA-N 211.692 2.553 0 50 BFAA CCC[C@H](C)C(=O)N1C[C@@H](C)C[C@@H](C)C1 15856409 SXNGFYCOKWTRKW-TUAOUCFPSA-N 211.349 2.927 0 50 BFAA C[C@H]1C[C@@H](NCCc2ccccc2)[C@H](C)CN1C 33936155 KPRIEJCCTJJFOU-IJEWVQPXSA-N 246.398 2.547 0 50 BFAA O[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 38588517 SDHDPMKOWGBAOY-AWEZNQCLSA-N 224.263 2.645 0 50 BFAA in-vitro CCc1oc2c(-n3cnnc3)cccc2c1C 65531767 PDSYNZFOBABAFV-UHFFFAOYSA-N 227.267 2.884 0 50 BFAA Brc1ccccc1OC1CC1 90412986 MLULTGPYHKKSRT-UHFFFAOYSA-N 213.074 2.990 0 50 BFAA in-vitro C/C(=C\c1ccco1)CN1CC[C@](C)(O)[C@H](C)C1 91680613 MGWVSWOKDMVDQO-MVHRNJCLSA-N 249.354 2.776 0 50 BFAA Cc1nc(N2CCCCCCC2)ncc1[C@H](C)N 91871799 ZBKVTXCMCJPDKB-NSHDSACASA-N 248.374 2.575 0 50 BFAA COC(=O)c1cccc(OC(F)(F)F)c1F 97756787 GPHQKOJTGXWLRG-UHFFFAOYSA-N 238.136 2.511 0 50 BFAA OC[C@@H](CNC[C@H]1CC=CCC1)c1ccccc1 124357956 LDQOMOZTOHOUJX-GOEBONIOSA-N 245.366 2.708 0 50 BFAA C1CCC([C@H](N[C@@H]2CCOC2)C2CC2)CC1 134790216 PWTQEBPMZYTLRT-KGLIPLIRSA-N 223.360 2.724 0 50 BFAA O=C(NC1CCCCC1)[C@H]1C[C@H]2CC[C@H]1C2 243494129 NROXXQMMCWFJOV-GVXVVHGQSA-N 221.344 2.872 0 50 BFAA CC(C)(C)OC(=O)N1CCCCC[C@@]1(C)CO 258170665 GLEHTXHMBFXNPN-ZDUSSCGKSA-N 243.347 2.549 0 50 BFAA CC(C)c1onc(-c2nccs2)c1C(=O)O 675058293 ZYMNWARUABZHRB-UHFFFAOYSA-N 238.268 2.620 0 50 BFAA O=C(Nc1ccc(F)nc1)c1occ2c1CCC2 802767888 UOWQVIOSKDFHDS-UHFFFAOYSA-N 246.241 2.555 0 50 BFAA CC(C)Cc1nc(COCc2ccccc2)n[nH]1 952976628 SYJDBSTWRHOLHF-UHFFFAOYSA-N 245.326 2.720 0 50 BFAA CC(C)C(=N)NO[C@H]1CCCc2cccnc21 1615056197 VQGDLRMDUIFLFM-NSHDSACASA-N 233.315 2.613 0 50 BFAA FC(F)(F)c1cccc(-n2ccnc2)c1 160385 KZVUPVJLOACZIL-UHFFFAOYSA-N 212.174 2.891 0 50 BFAA in-vitro C[C@H]1CCCCN1C(=O)Cc1ccc(F)cc1 302878 AMPWYUIBWBLDRH-NSHDSACASA-N 235.302 2.769 0 50 BFAA NC(=O)N[C@H](Cc1ccccc1)c1ccccc1 435771 FEUKXAYBBVOZJE-CQSZACIVSA-N 240.306 2.639 0 50 BFAA COC(=O)c1ccc(OC2CCCC2)cc1 1457123 LBACDACLAMNTQI-UHFFFAOYSA-N 220.268 2.795 0 50 BFAA OCc1ccc(SC(F)(F)F)cc1 2560231 KCWQNXIWNNTUIJ-UHFFFAOYSA-N 208.204 2.791 0 50 BFAA in-vitro O=C1C[C@@H](c2ccccc2)c2ccc(O)cc2O1 2952832 FPHAXRIFTRBSSY-ZDUSSCGKSA-N 240.258 2.833 0 50 BFAA CCN1C(=O)S/C(=C/c2ccc(C)o2)C1=O 4695203 XWVNHIHGXYPPGN-RMKNXTFCSA-N 237.280 2.644 0 50 BFAA N[C@H](c1c[nH]c2ccccc12)C(F)(F)F 12360157 TZQBOSKCYLEGAX-SECBINFHSA-N 214.190 2.730 0 50 BFAA in-vitro CCCCNc1c(N)c(=O)oc2ccccc12 17916938 IBRXTMRWTXOILF-UHFFFAOYSA-N 232.283 2.587 0 50 BFAA FC(F)(F)c1cccc(CNC2CC2)c1 22561920 AOMAZSZEDRDSIF-UHFFFAOYSA-N 215.218 2.957 0 50 BFAA CCOc1ccc(Br)c(C=O)c1 33506699 HXFMXRXUSOYTGF-UHFFFAOYSA-N 229.073 2.660 0 50 BFAA in-vitro Cc1cccc(-c2cncc(C(=O)O)c2)c1 36346835 KQXMMUCUYGOXEX-UHFFFAOYSA-N 213.236 2.755 0 50 BFAA in-vitro O=Cc1sc(Cl)cc1Br 84239110 KLJDNISPJLTSNO-UHFFFAOYSA-N 225.494 2.977 0 50 BFAA C[C@H](N)c1ncc(C(F)(F)F)cc1Cl 95628662 HXYCLYBAZZEUFG-BYPYZUCNSA-N 224.613 2.774 0 50 BFAA COc1cc(C)c(Br)cc1F 114114978 IVPVTTXBBADNFC-UHFFFAOYSA-N 219.053 2.905 0 50 BFAA CCC[C@H](C)C(=O)N1CCCO[C@@H]2CCC[C@H]21 230086741 YYUZZXMHNICMID-YNEHKIRRSA-N 239.359 2.593 0 50 BFAA Cc1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[S@@](=O)N2 239412314 SNZUAMJDPKNTCJ-HBFUQRBFSA-N 247.363 2.966 0 50 BFAA Oc1cccc2c(Br)cncc12 250009328 GXOYPNNECSMYNC-UHFFFAOYSA-N 224.057 2.703 0 50 BFAA CC(C)c1nc(NC2CCCC2)ncc1C(=O)O 257197420 FFUWOCPMCWKQRS-UHFFFAOYSA-N 249.314 2.653 0 50 BFAA CCC[C@H]1CCC[C@@H]1C(=O)NCc1c[nH]nc1C 294547393 YEBSITSIMTXYOW-AAEUAGOBSA-N 249.358 2.551 0 50 BFAA C[C@@]1(F)CCCN(C(=O)c2cccs2)C1 295621502 RFEOJZLGOAGTPU-LLVKDONJSA-N 227.304 2.712 0 50 BFAA C[C@]1(F)CCCN(C(=O)c2ccsc2)C1 295640661 TWFVCGSVXKTBLO-NSHDSACASA-N 227.304 2.712 0 50 BFAA C1CCC(c2noc([C@H]3C[C@H]4CC[C@H]3O4)n2)C1 349774249 IZUOBHROTDZNTE-OUAUKWLOSA-N 234.299 2.762 0 50 BFAA O=C(CC1=CCCC1)N1CCC(F)(F)CC1 1857690287 FODNBWAVQGTATO-UHFFFAOYSA-N 229.270 2.745 0 50 BFAA Brc1ccc2ncccc2c1 78186 IFIHYLCUKYCKRH-UHFFFAOYSA-N 208.058 2.997 0 50 BFAA in-vitro O=C1CCCN1c1cccc(Br)c1 477959 QKSLLUAHJIQQGI-UHFFFAOYSA-N 240.100 2.576 0 50 BFAA in-vitro Cc1ccc(F)c(I)c1 1651911 XJWZEEGCMBQBNG-UHFFFAOYSA-N 236.027 2.739 0 50 BFAA in-vitro OCc1cc(C(F)(F)F)ccc1Cl 2382126 VEKMDPQNERMQMO-UHFFFAOYSA-N 210.582 2.851 0 50 BFAA c1cn(CCCNC2CCCCCC2)cn1 2498899 HQWMNQPWQFUADS-UHFFFAOYSA-N 221.348 2.586 0 50 BFAA CC(C)N[C@@H](C)[C@@H](O)c1ccc2c(c1)CCCC2 3684564 VSWXRQMTEJGBTC-BLLLJJGKSA-N 247.382 2.985 0 50 BFAA C[C@@H]1CCCc2c1nc1ccccc1c2C(N)=O 6250190 AGETZEYQPDFLQR-SECBINFHSA-N 240.306 2.774 0 50 BFAA Cc1cc(NC(=O)/C=C/c2ccc(F)cc2)no1 12341497 WNIYKXIHLNWGDD-QPJJXVBHSA-N 246.241 2.774 0 50 BFAA C[C@H](Cc1ccccc1F)NCc1ccccn1 23280553 PPCMZBJVXKLTIZ-GFCCVEGCSA-N 244.313 2.942 0 50 BFAA O=C(O)[C@@]12CC=CC[C@@H]1CCc1ccccc12 34622783 VPIKHFWERATWBS-DOMZBBRYSA-N 228.291 2.921 0 50 BFAA CC1=C(Cl)C=C[C@@H](C(C)(C)C)C(=O)N1 45028133 AYJRZQOAXIUEHV-MRVPVSSYSA-N 213.708 2.805 0 50 BFAA Nc1cnc2cc(Br)ccc2c1 58573973 CCHYPYCCQBLGLJ-UHFFFAOYSA-N 223.073 2.580 0 50 BFAA in-vitro CC[C@@]1(C(=O)O)CCCN(Cc2ccccc2)C1 62877558 RYPAYHSHXCUXSE-OAHLLOKOSA-N 247.338 2.763 0 50 BFAA CC1(C)Cc2c(Br)cccc2CN1 145222488 FCDBLDCTWLKSRQ-UHFFFAOYSA-N 240.144 2.873 0 50 BFAA c1nc(N[C@H]2CCCOCC2)c2ccsc2n1 182710914 JYCUITHLBKAQRE-VIFPVBQESA-N 249.339 2.672 0 50 BFAA Cc1ccc2c(c1)nc(CN[C@H](C)C1CC1)n2C 191503185 ABEYMEJHOZXIEF-LLVKDONJSA-N 243.354 2.770 0 50 BFAA Cc1ccc2c(c1Br)C(=O)CCO2 306591946 YZMAEBAVUOMERK-UHFFFAOYSA-N 241.084 2.723 0 50 BFAA C[C@@]12C[C@H]1CN(C(=O)c1c[nH]c3ccccc13)C2 1772806061 YHSSBWGMJXEUMI-BONVTDFDSA-N 240.306 2.650 0 50 BFAA COc1cc(C)cc2oc(=O)c3c(c12)CCCC3 83547 XIFWOTCGKOSXKJ-UHFFFAOYSA-N 244.290 2.989 0 50 BFAA biogenic O=C(Nc1ccc2ccccc2c1)[C@@H]1CCCN1 391903 IEZATIIUZVDELT-AWEZNQCLSA-N 240.306 2.530 0 50 BFAA biogenic,in-vitro COc1cccc(S(=O)(=O)c2ccccc2)c1 400072 RAYKFMBXKZRFBC-UHFFFAOYSA-N 248.303 2.528 0 50 BFAA O=C(O)c1ccc(Oc2cccc(O)c2)cc1 2527902 DEDKCEDXZJIDKZ-UHFFFAOYSA-N 230.219 2.883 0 50 BFAA in-vitro CC(C)(C)C(=O)Cn1cnc(Cl)c1Cl 2543647 BGKMCAYBCDYDHG-UHFFFAOYSA-N 235.114 2.805 0 50 BFAA CCOP(=O)(CN1CCCCC1)OCC 19300313 QUZRMJFKXDYSMQ-UHFFFAOYSA-N 235.264 2.696 0 50 BFAA CC[C@@H]1OC[C@@H]2Cc3ccccc3[C@@H]2O1 22339208 GRUQFUUIIULWTC-CYZMBNFOSA-N 204.269 2.683 0 50 BFAA Nc1ccc2cccc(Br)c2n1 26474701 JCZCFNGKDJIKQI-UHFFFAOYSA-N 223.073 2.580 0 50 BFAA in-vitro O=C(CCC/C=C/CO)c1ccc(F)cc1 38997669 SUGFFCLJUOYUCM-DUXPYHPUSA-N 222.259 2.727 0 50 BFAA Fc1ccc(CC[C@@H]2CCCNC2)cc1 41216222 VHOOXGNDXSUTOK-LBPRGKRZSA-N 207.292 2.758 0 50 BFAA Cc1ccccc1-c1c[nH]nc1C1CCNCC1 67473022 COUIAGZTYGWPOQ-UHFFFAOYSA-N 241.338 2.852 0 50 BFAA Cc1ccnc(NC(=O)CC[C@H]2CCCCO2)c1 110178107 PFSIBQUUIUWWQX-GFCCVEGCSA-N 248.326 2.678 0 50 BFAA CCc1nc(CN[C@H]2CCCSC2)cs1 129248172 VYYLKRJAAHXKFP-VIFPVBQESA-N 242.413 2.691 0 50 BFAA CCCC[C@H]1CNCc2ccccc2O1 238250426 SIVWANLGIYZTKE-LBPRGKRZSA-N 205.301 2.727 0 50 BFAA Cc1ccc(-c2nnc3n2CCCCCC3)o1 630952084 WCOOVOKTDQSMPP-UHFFFAOYSA-N 231.299 2.963 0 50 BFAA Cc1nc(-c2ccns2)nc(C)c1C 2356170173 YMJLSSHSJRIMHF-UHFFFAOYSA-N 205.286 2.525 0 50 BFAA Cc1nc2ccc(/C=C/C(=O)O)cc2s1 228755 VQZYFNDEGUISGK-HWKANZROSA-N 219.265 2.703 0 50 BFAA COc1ccc2c(c1OC)CCCCC2=O 401397 IOVMPYNOJGIQRR-UHFFFAOYSA-N 220.268 2.613 0 50 BFAA CN(O)C(=O)Nc1ccc(Cl)cc1Cl 1406307 XTZKSJGASNPSNO-UHFFFAOYSA-N 235.070 2.846 0 50 BFAA CCCCN1CC2CC(C1)CN(CCCC)C2 1997876 QEZOCSVNNUPJPG-UHFFFAOYSA-N 238.419 2.840 0 50 BFAA CCCNC(=O)Nc1cc(C)cc(C)c1 2171996 XEDJSYWKFPTERV-UHFFFAOYSA-N 206.289 2.835 0 50 BFAA CCOC(=O)c1c(C)[nH]c2cc(F)ccc12 2512988 GOKWPANDLYARQA-UHFFFAOYSA-N 221.231 2.792 0 50 BFAA in-vitro OCCCc1nc2cc(C(F)(F)F)ccc2[nH]1 4243182 FDRMNTVCDKSRNL-UHFFFAOYSA-N 244.216 2.507 0 50 BFAA in-vitro COc1cnc(SC/C=C(\C)Cl)nc1 4566574 UWOHDFCAYMFUFZ-XVNBXDOJSA-N 230.720 2.720 0 50 BFAA CC(C)(C)OC(=O)NCCc1ccccc1 5726665 VUOOOFYYTHRGJI-UHFFFAOYSA-N 221.300 2.754 0 50 BFAA in-vitro Fc1ccc(-c2noc(-c3ccccn3)n2)cc1 6702038 AYXIXOBNGCRBGS-UHFFFAOYSA-N 241.225 2.938 0 50 BFAA CCCNC(=O)N1CCCc2ccccc21 6726394 GQHJMZZEFGQHEU-UHFFFAOYSA-N 218.300 2.559 0 50 BFAA O=C1Nc2ccccc2/C1=C/NC1CCCCC1 12341294 UIEVIIZUXYAQAR-RAXLEYEMSA-N 242.322 2.902 0 50 BFAA Clc1cc2c(cc1Cl)CNCC2 12958078 WQXHQPZDSGKULZ-UHFFFAOYSA-N 202.084 2.639 0 50 BFAA in-vitro CSc1cccc(Br)n1 15021693 CWFMGEWBDIDVPZ-UHFFFAOYSA-N 204.092 2.566 0 50 BFAA in-vitro C[C@H](c1nc(-c2cccs2)no1)n1cccn1 20601793 DTMCLMJHDQIQNR-MRVPVSSYSA-N 246.295 2.604 0 50 BFAA COC(=O)c1sc(C)nc1C(C)(C)C 38537227 RUEUMJDNWGEPSR-UHFFFAOYSA-N 213.302 2.536 0 50 BFAA Oc1cc(Br)c(F)cc1Cl 40448808 NQQPSJDOZDIKTE-UHFFFAOYSA-N 225.444 2.947 0 50 BFAA in-vitro Oc1cc(OC(F)(F)F)ccc1Cl 90413227 UKASVHZCKSRNNA-UHFFFAOYSA-N 212.554 2.944 0 50 BFAA in-vitro Oc1ccc([C@H](O)COc2ccccc2)cc1 145325241 QSJVBXJSDCWRNB-CQSZACIVSA-N 230.263 2.505 0 50 BFAA CC(=O)OCC12CC3CC(CC(C3)C1)C2 149609882 KKJMYDWRRJHYOE-UHFFFAOYSA-N 208.301 2.766 0 50 BFAA in-vitro CC(C)(C)OC(=O)C(=O)[Si](C)(C)C(C)(C)C 170169805 GGYHTNUVBJRLDM-UHFFFAOYSA-N 244.407 2.945 0 50 BFAA Cc1nc(C(=O)OCc2cccs2)cs1 170596541 UTBOSWZLNLQESN-UHFFFAOYSA-N 239.321 2.870 0 50 BFAA C[C@@H]1CCCN1Cc1ccc(-n2ccnc2)cc1 173982617 VJHFSDBCMUTQSK-CYBMUJFWSA-N 241.338 2.857 0 50 BFAA Cc1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[S@](=O)N2 239412315 SNZUAMJDPKNTCJ-JSSSGJACSA-N 247.363 2.966 0 50 BFAA COc1ccc(OC)c2c1[C@H]1[C@H]3[C@H]4C=C[C@H]4[C@@H]2[C@H]13 247876607 HAIGLKKQMUZVAS-PPYXXLFJSA-N 240.302 2.946 0 50 BFAA CCc1n[nH]c(C)c1-c1cccc(OC)c1OC 426563578 ZJJKOQNGYNLQEW-UHFFFAOYSA-N 246.310 2.965 0 50 BFAA CCN(CC)C[C@@H](C)NCc1cnc(C)c(C)c1 670456624 GLBCMVVJJRVSNO-CYBMUJFWSA-N 249.402 2.518 0 50 BFAA COc1cccc(C=Cc2nccc(O)n2)c1F 1857532271 WHSSFGJHCOYYHN-UHFFFAOYSA-N 246.241 2.500 0 50 BFAA COc1cccc(-c2ocnc2CC2CC2)n1 2356143602 PAVZUHZICDMRDK-UHFFFAOYSA-N 230.267 2.698 0 50 BFAA CC(=O)c1cc(F)c(N2CCCC2)cc1C 52949 KJOYRYZFLLUEJE-UHFFFAOYSA-N 221.275 2.937 0 50 BFAA CC[C@H]1NCCc2c1[nH]c1ccccc21 83161 FJPPZKPWCBEAMQ-LLVKDONJSA-N 200.285 2.765 0 50 BFAA COc1ccc(NC(=O)c2ccoc2C)cc1 90742 GMGGUKGQVCSNLY-UHFFFAOYSA-N 231.251 2.849 0 50 BFAA Cc1ccc(-n2nc3cc(C)c(N)cc3n2)cc1 156786 WPWFGODZYVRBTJ-UHFFFAOYSA-N 238.294 2.620 0 50 BFAA C[C@@H](CN1CCCCC1)C(=O)c1ccccc1 227180 SOYVHSZVPQHVOP-ZDUSSCGKSA-N 231.339 2.991 0 50 BFAA FC(F)(F)c1nnc(-c2ccccc2)o1 247520 GDIDXWYDIVXVOA-UHFFFAOYSA-N 214.146 2.755 0 50 BFAA Fc1ccc(CNCc2cccnc2)cc1 266922 FALPYPALLCTAIS-UHFFFAOYSA-N 216.259 2.511 0 50 BFAA in-vitro C[C@H](Oc1cc(Cl)ccc1Cl)C(=O)O 393617 LDRYOEIGQCIMEK-YFKPBYRVSA-N 235.066 2.845 0 50 BFAA biogenic CCn1ccc(C(=O)Nc2ccc(C)c(C)c2)n1 467321 LRILOTQMRQWMOA-UHFFFAOYSA-N 243.310 2.772 0 50 BFAA CCCN(CCC)CCCCCCO 1648968 NGLYVCQIAOHIJE-UHFFFAOYSA-N 201.354 2.661 0 50 BFAA Nc1ccccc1OC(F)(F)C(F)F 2243210 MUSFRWGGGZNTGC-UHFFFAOYSA-N 209.142 2.506 0 50 BFAA CCc1cccc2c(O)c(CN(C)C)c(C)nc12 8951574 GTOPKWVHYYYAAW-UHFFFAOYSA-N 244.338 2.873 0 50 BFAA CC(C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 12382574 AFDCWGYQGKAXDH-SECBINFHSA-N 241.718 2.632 0 50 BFAA CCN(CC)C/C=C/COc1ccccc1OC 16622761 WJCCWFCDVUHPRD-CMDGGOBGSA-N 249.354 2.972 0 50 BFAA CCCCNc1nc(N(C)C)c2ccccc2n1 41147274 MSXYBGRCFPRKSI-UHFFFAOYSA-N 244.342 2.908 0 50 BFAA O=C(O)c1ccc2[nH]cc(Br)c2c1 42684388 VCNFRMMIMOPFGP-UHFFFAOYSA-N 240.056 2.629 0 50 BFAA in-vitro Cc1ccc(CN)c(OCCC(C)C)c1 51580620 OAXPDISZKUUXSN-UHFFFAOYSA-N 207.317 2.879 0 50 BFAA in-vitro Cc1cc(C)n([C@H](C)c2nc(C(C)(C)C)no2)n1 65461517 VZBXNZGNVYVFSK-SNVBAGLBSA-N 248.330 2.790 0 50 BFAA CSc1ccc(CCCC(=O)O)cc1 71453269 IFWFPNDGJSIBFG-UHFFFAOYSA-N 210.298 2.816 0 50 BFAA in-vitro O=C(C1=CCCCC1)N1C[C@@H]2CCC[C@H]2C1 130053965 LDTFQRAQFYPGOA-STQMWFEESA-N 219.328 2.745 0 50 BFAA O=C(CC1CC(F)(F)C1)N[C@H]1C=CCCC1 336200576 CVGHFCZTZSVNIK-JTQLQIEISA-N 229.270 2.647 0 50 BFAA COc1ccc2c(c1)C1(CC1)CN(CC1CC1)C2 377727940 SHIKPIGWGMPEGY-UHFFFAOYSA-N 243.350 2.952 0 50 BFAA CN1C(=C2C=CC(=N)C=C2)Nc2ccccc21 584907180 VBGBQCUVRDJKPI-UHFFFAOYSA-N 223.279 2.906 0 50 BFAA C=CC(=O)N[C@@H](C)CSc1ccc(C)cc1 1120461084 XABZSSWUWXDJAI-NSHDSACASA-N 235.352 2.778 0 50 BFAA Oc1cncc(-c2ccc(-c3ccccc3)nn2)c1 1236575001 BSVOHUXXUQZDPJ-UHFFFAOYSA-N 249.273 2.911 0 50 BFAA C1=C[C@H](NC2CSCCSC2)CCC1 1506430140 WYDIBCSCZIAPGG-JTQLQIEISA-N 229.414 2.533 0 50 BFAA CCc1nnc(NC(=O)c2ccccc2C)s1 187498 GUXDOZOZPOKSPV-UHFFFAOYSA-N 247.323 2.661 0 50 BFAA COC(=O)c1ccc(NC(=O)CC2CCC2)cc1 226152 ULFRUVZDWINEAZ-UHFFFAOYSA-N 247.294 2.602 0 50 BFAA Clc1ncnc2ncn(Cc3ccccc3)c12 272608 QOJVQOWYMWBZNC-UHFFFAOYSA-N 244.685 2.528 0 50 BFAA in-vitro CCNc1ncnc2sc(C)c(C)c12 347160 RELNOFCOIOHVSU-UHFFFAOYSA-N 207.302 2.740 0 50 BFAA CC(C)c1ccc(OCc2nnc(N)s2)cc1 526148 LBZPSEHVIARHAX-UHFFFAOYSA-N 249.339 2.823 0 50 BFAA Cc1ccc(NC(=O)c2cccs2)c(N)c1 792028 JVUMGCPQKDTUBG-UHFFFAOYSA-N 232.308 2.891 0 50 BFAA C[C@@H](C(=O)O)c1ccc(C[C@@H]2CCCC2=O)cc1 1846130 YMBXTVYHTMGZDW-MFKMUULPSA-N 246.306 2.786 0 50 BFAA world C[C@@H](CCCCCC[C@@H](C)C(=O)O)C(=O)O 2029346 HGPLPTQLYAHGDY-AOOOYVTPSA-N 230.304 2.768 0 50 BFAA O=C(O)c1c[nH]c2cc(Br)ccc12 2547985 INNZWYJJSSRJET-UHFFFAOYSA-N 240.056 2.629 0 50 BFAA biogenic,in-vitro CCCNC(=S)Nc1ccc(C)cc1 2814238 AJCXTUVBFXRCBE-UHFFFAOYSA-N 208.330 2.691 0 50 BFAA Cc1ccc(-c2noc(CNC(C)(C)C)n2)cc1 4487193 DUKWZLOLJKGHOO-UHFFFAOYSA-N 245.326 2.933 0 50 BFAA O=C(O)c1ccc(N2CCCC2)c(Cl)c1 5590438 ICTYJBKSXOEFEB-UHFFFAOYSA-N 225.675 2.638 0 50 BFAA in-vitro CCCNC(=O)N[C@H]1CCCc2ccccc21 6699630 XENCUJFDUJMZFG-ZDUSSCGKSA-N 232.327 2.773 0 50 BFAA CCN(CC)C(=S)Nc1ccc(OC)cc1 8683558 WHEJWYIBDMGWMT-UHFFFAOYSA-N 238.356 2.734 0 50 BFAA Cc1noc(C)c1C(=O)N[C@@H]1CCCC[C@H]1C 13329523 CXIPWBPNSSYTOB-LDYMZIIASA-N 236.315 2.600 0 50 BFAA CCc1nc2ccccc2c(C)c1C(=O)O 20268275 IUFJNWLWHFICKS-UHFFFAOYSA-N 215.252 2.804 0 50 BFAA CCC(=O)Nc1ccc(C)c(NC(=O)C2CC2)c1 30830960 BGTIXGJZXNUIME-UHFFFAOYSA-N 246.310 2.692 0 50 BFAA NC[C@@H]1C[C@@H]1c1ccccc1Br 34893492 WYOKWGHFWKWDEZ-CBAPKCEASA-N 226.117 2.511 0 50 BFAA Fc1ccc(-c2n[nH]cc2-c2ncc[nH]2)cc1 67847431 ASPQNFCSTOMKOU-UHFFFAOYSA-N 228.230 2.606 0 50 BFAA O[C@H]1O[C@@H](c2ccccc2)c2ccccc21 71773901 XAXUZULEMMAVME-KBPBESRZSA-N 212.248 2.797 0 50 BFAA Brc1ccc2c(c1)NCCS2 90399895 AUIBYERXYVUBIL-UHFFFAOYSA-N 230.130 2.967 0 50 BFAA CC[C@H](C)N1CCN(C[C@H]2C[C@H]3C=C[C@H]2C3)CC1 100610175 GZCRAGOTMUZNSI-YHUYYLMFSA-N 248.414 2.615 0 50 BFAA Oc1ccc([C@@H](O)COc2ccccc2)cc1 145325056 QSJVBXJSDCWRNB-AWEZNQCLSA-N 230.263 2.505 0 50 BFAA O=[S@@](O)c1ccc(C(F)(F)F)cc1Cl 164637107 ZVSKWKOAFCNDNN-UHFFFAOYSA-N 244.621 2.939 0 50 BFAA Cn1ccc(CNC(=O)NC2(C)CCCCC2)c1 170016557 ZBFOLYOCJZYZKM-UHFFFAOYSA-N 249.358 2.547 0 50 BFAA Cc1cc(Cl)cc2c3c([nH]c12)CCNC3 197523591 ZKWBXUZESFSKIB-UHFFFAOYSA-N 220.703 2.775 0 50 BFAA Cc1csc(CN2CCC[C@H]2C2CC2)n1 363616218 CSLLGZRCOITXHD-NSHDSACASA-N 222.357 2.826 0 50 BFAA Cc1nc(O)c(Cl)c(-c2ccsc2)n1 426640566 VIDFWJNKNRGXLK-UHFFFAOYSA-N 226.688 2.873 0 50 BFAA Cc1cccnc1CC(=O)NC1(C(C)(C)C)CC1 584888043 DNHHVKQLALNHNB-UHFFFAOYSA-N 246.354 2.627 0 50 BFAA CSCc1cccc(-c2c(N)cnn2C)c1 694102673 QNKDDNPIWDZRDD-UHFFFAOYSA-N 233.340 2.532 0 50 BFAA C[C@H]1CC(C)(C)N(C)c2ccc(C(=N)N)cc21 1848442401 DESSFMMVFBQKLQ-VIFPVBQESA-N 231.343 2.693 0 50 BFAA O=C(CCc1cccc(F)c1)N[C@H]1C=CCC1 1857703447 PYHJYDSOFRINBO-ZDUSSCGKSA-N 233.286 2.593 0 50 BFAA CC[C@@H](C)N(C=O)Cc1ccc(F)cc1 1875324982 FOGFGMBCNSKUBM-SNVBAGLBSA-N 209.264 2.583 0 50 BFAA O=C(C[C@H]1CCCCCC1=O)c1ccncc1 1908500613 LGTVFZNGYGGERL-GFCCVEGCSA-N 231.295 2.804 0 50 BFAA O=C(NCc1cccnc1)c1cccc(Cl)c1 362967 XGKWTYNJLCEKCT-UHFFFAOYSA-N 246.697 2.665 0 50 BFAA CC1=NN(c2ccc(C)c(Cl)c2)C(=O)C1 381059 UKTMRPNPEMPQMC-UHFFFAOYSA-N 222.675 2.761 0 50 BFAA CCCCCOc1ccc(C(=O)O)cc1 1696794 OZPPUPJQRJYTNY-UHFFFAOYSA-N 208.257 2.954 0 50 BFAA in-vitro CCOc1cccc(OCCN(CC)CC)c1 4845044 VEGMPHNVXYCHQA-UHFFFAOYSA-N 237.343 2.806 0 50 BFAA CCOC(=O)Cc1coc2ccccc12 5177643 LSGDCGDXQLDKGO-UHFFFAOYSA-N 204.225 2.538 0 50 BFAA CCn1c(-c2csc(C)c2)n[nH]c1=S 5686872 YPRAIHQGMMEDAG-UHFFFAOYSA-N 225.342 2.998 0 50 BFAA in-vitro Nc1ncc(Cc2cc(F)cc(F)c2)s1 12505777 IEFGHTJWHNRADZ-UHFFFAOYSA-N 226.251 2.594 0 50 BFAA COC(=O)c1cccc(-c2nccs2)c1 16082588 YXIVASOYIRWGFB-UHFFFAOYSA-N 219.265 2.597 0 50 BFAA in-vitro Cc1ccc(C)c(OCCCn2ccnc2)c1 16663542 HHPOMGUEFHJYRT-UHFFFAOYSA-N 230.311 2.969 0 50 BFAA Cc1ccccc1CN1CCCC[C@H]1CCO 23115229 DIECOASWSBXCCB-HNNXBMFYSA-N 233.355 2.732 0 50 BFAA Nc1nc(Cl)nc2cccc(Cl)c12 26899462 KWONOEUAYOZICR-UHFFFAOYSA-N 214.055 2.519 0 50 BFAA CCCCOc1ccc(-c2ccc(=O)[nH]n2)cc1 45918697 CZDXBRXKRHVHQY-UHFFFAOYSA-N 244.294 2.616 0 50 BFAA Fc1ccc(CC2CCNCC2)c(F)c1 55239280 VXQMAHFHVBQZHC-UHFFFAOYSA-N 211.255 2.507 0 50 BFAA CC(C)COC(=O)N[C@H](C)Cc1ccccc1 71773240 OHLJVSASEFVWRC-GFCCVEGCSA-N 235.327 3.000 0 50 BFAA Cc1nc2cc(Br)c(F)c(F)c2[nH]1 95495617 OGBVQXWHNYNXAM-UHFFFAOYSA-N 247.042 2.912 0 50 BFAA COCCOc1ccc(F)c(Br)c1 137053312 WSANPUZLFMLKJH-UHFFFAOYSA-N 249.079 2.613 0 50 BFAA Cc1nsc(N2CC[C@@H]3CCCC[C@H]32)n1 248012894 GTEJYDFRXBXOBZ-VHSXEESVSA-N 223.345 2.615 0 50 BFAA CC(=O)[C@@H]1COc2cc(C)c(Cl)cc2C1 675063470 FVHDXPLTJWRRMU-JTQLQIEISA-N 224.687 2.789 0 50 BFAA Cc1cc2c[nH]nc2cc1[C@@H]1CCN[C@@H](C)C1 757216395 ZUNLHOGMBHEDPC-WDEREUQCSA-N 229.327 2.727 0 50 BFAA c1cc(-c2ccc(CN3CCCC3)cn2)ccn1 952981732 VUZAXZYIZMIUAZ-UHFFFAOYSA-N 239.322 2.739 0 50 BFAA CCOc1ccc(C(=O)N2CCCCC2)cc1 30327 DGRRYFUYJXXZNO-UHFFFAOYSA-N 233.311 2.711 0 50 BFAA O=C(O)/C=C/c1ccccc1C(F)(F)F 120060 AMVYAIXPAGBXOM-AATRIKPKSA-N 216.158 2.803 0 50 BFAA in-vitro COc1ccc2cc(C(=O)O)ccc2c1 128920 YZBILXXOZFORFE-UHFFFAOYSA-N 202.209 2.547 0 50 BFAA biogenic,in-vitro CCC(=O)N[C@@H](C)c1nc2ccccc2n1CC 200726 XXRBPLRBMARQAS-JTQLQIEISA-N 245.326 2.643 0 50 BFAA c1ccc2[nH]c(SN3CCCC3)nc2c1 272804 HBKYEMXVWUHUCV-UHFFFAOYSA-N 219.313 2.666 0 50 BFAA CCNC(=O)Nc1cccc(C(F)(F)F)c1 1098875 FGRDDASXWCZPIQ-UHFFFAOYSA-N 232.205 2.847 0 50 BFAA CC(C)(C)C(=O)CC(=O)c1ccccc1 3832712 HORVLKADAZQYRS-UHFFFAOYSA-N 204.269 2.875 0 50 BFAA O=C(O)c1cccn1Cc1ccccc1Cl 4670206 BKESYWSSTDKCLC-UHFFFAOYSA-N 235.670 2.888 0 50 BFAA O=C1NC(=O)/C(=C\c2ccccc2Cl)S1 12407272 LODOBCLAGUEESL-VMPITWQZSA-N 239.683 2.664 0 50 BFAA Fc1ccccc1CCNCc1cccnc1 19721095 VZOAPRRKNREZAC-UHFFFAOYSA-N 230.286 2.553 0 50 BFAA Cc1ccc(-c2n[nH]c3c2C(=O)CCC3)cc1 20674294 MTAFLJUYOCNTAE-UHFFFAOYSA-N 226.279 2.904 0 50 BFAA Cc1ccc(CN[C@H]2COc3ccccc3C2)o1 20777741 RSLQVIXGFNMVIT-CYBMUJFWSA-N 243.306 2.681 0 50 BFAA Cc1nn(CC(C)C)c(C)c1Br 32916914 QTUJNLSDZPMEJO-UHFFFAOYSA-N 231.137 2.918 0 50 BFAA CC[C@H](C)N(CCCN)Cc1cccs1 32919838 UYBXHGRUMLNCFN-NSHDSACASA-N 226.389 2.697 0 50 BFAA COC(=O)c1cc(C(F)(F)F)ccc1OC 39150763 PWDFDEHWTMGSCO-UHFFFAOYSA-N 234.173 2.501 0 50 BFAA O=C(O)[C@@]12C[C@@H]3C[C@@H](C[C@@](Cl)(C3)C1)C2 100259687 GMOBHRQSNDDZAD-YDRMRZIKSA-N 214.692 2.649 0 50 BFAA Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1 101672087 VCDZSVIMPRTHGL-FPMFFAJLSA-N 229.323 2.913 0 50 BFAA C[C@H](Cc1ccc(F)cc1)Nc1cnc[nH]1 225510813 HEAQJRQWZHBVJN-SECBINFHSA-N 219.263 2.592 0 50 BFAA Cc1cc(N(C)c2ccccn2)ccc1O 228917686 HAPGTBCGERDQFG-UHFFFAOYSA-N 214.268 2.864 0 50 BFAA C[C@@H](NCCC1(O)CCC1)c1cccs1 284427011 RRZIQAUPFVZKHH-SNVBAGLBSA-N 225.357 2.704 0 50 BFAA Cc1cnc(CNc2ccc(F)cc2)nc1 309687352 HUQFAJDWFUWFOD-UHFFFAOYSA-N 217.247 2.536 0 50 BFAA Cc1cnc(-c2ccc(-c3ccnnc3)cc2)nc1 1875246181 KBPXLJQLCCCPBQ-UHFFFAOYSA-N 248.289 2.909 0 50 BFAA C[C@]12CCc3ccccc3[C@]1(C)OC(=O)O2 117389 RZFWPUPZZRXZLU-STQMWFEESA-N 218.252 2.774 0 50 BFAA Nc1nc2ccc3c(c2s1)CCCC3 126090 LUWYQPLQBLHOBX-UHFFFAOYSA-N 204.298 2.757 0 50 BFAA Cn1ccnc1[C@H](O)c1cccc2ccccc12 184055 OFTANOLWXSYUKW-CQSZACIVSA-N 238.290 2.655 0 50 BFAA Cc1cccc(C(=O)Nc2cc(C)on2)c1 369258 IDIKVDYYAOEQRC-UHFFFAOYSA-N 216.240 2.544 0 50 BFAA CC[C@@H](C)C(=O)Nc1ccc(F)c(F)c1 372720 TVNATGGVYMPRFS-SSDOTTSWSA-N 213.227 2.949 0 50 BFAA c1cn(CCCNC2CCCCCCC2)cn1 2498846 TZSYTZXCQRTFQS-UHFFFAOYSA-N 235.375 2.976 0 50 BFAA O=C(O)Cc1cc(Cl)ccc1C(F)(F)F 2574971 GINCGCMLTQDEJC-UHFFFAOYSA-N 238.592 2.986 0 50 BFAA in-vitro COc1cc(/C=C/c2cc(C)[nH]n2)ccc1O 3777707 IJCIXCWAMXHVQD-HWKANZROSA-N 230.267 2.603 0 50 BFAA CCN(CC)c1ccc2cc(C(=O)OC)[nH]c2c1 4235075 IUCAOEZGGZORQQ-UHFFFAOYSA-N 246.310 2.801 0 50 BFAA CC(C)(C)OC(=O)NCc1ccc(C=O)cc1 4287775 HRJJBEIFHFVBRT-UHFFFAOYSA-N 235.283 2.524 0 50 BFAA biogenic,in-vitro CCOC(OCC)c1nc2ccccc2[nH]1 4343344 HJQKHEYWEHJTGQ-UHFFFAOYSA-N 220.272 2.635 0 50 BFAA CCC1(CC)C(=O)N(c2ccccc2)N=C1O 4475552 MAGFGTMRZHCQFE-UHFFFAOYSA-N 232.283 2.711 0 50 BFAA CCNc1ccc2c(C)cc(=O)oc2c1 5139774 OTNIKUTWXUODJZ-UHFFFAOYSA-N 203.241 2.533 0 50 BFAA biogenic,in-vitro Cc1cccc(CC(=O)Nc2ccccn2)c1 6715760 UFHCIHSGOVXPBN-UHFFFAOYSA-N 226.279 2.571 0 50 BFAA CCCCOc1ccc(-c2nnc(S)[nH]2)cc1 8680978 NFMIPYFWIZWEPH-UHFFFAOYSA-N 249.339 2.939 0 50 BFAA CCN1CCC[C@H]1CNCc1ccc(C)s1 22936123 IQROTUPDKRCCDP-LBPRGKRZSA-N 238.400 2.630 0 50 BFAA Cc1cccc(O[C@@H](C)C(=O)NCC(C)C)c1 48090013 AIJXDTNSJMOWRC-LBPRGKRZSA-N 235.327 2.535 0 50 BFAA Oc1cccnc1-c1ccc(-c2ccn[nH]2)cc1 65403986 XKVRAJQSVMTJIK-UHFFFAOYSA-N 237.262 2.844 0 50 BFAA Cc1c(Br)ccc2[nH]cnc12 77011523 JNXOUOKRAGYUNE-UHFFFAOYSA-N 211.062 2.634 0 50 BFAA in-vitro COc1c(Br)ccc(C)c1F 90411440 PQSTUQXJYKRMEM-UHFFFAOYSA-N 219.053 2.905 0 50 BFAA in-vitro O=C1CCOc2c1ccc(Br)c2F 238553631 KPAFVSLIXPVEOJ-UHFFFAOYSA-N 245.047 2.553 0 50 BFAA C1=CC[C@]23C=C[C@]2(C1)[C@H]1C=C[C@H]3[C@H]2COC[C@@H]12 253596414 QXBDRQSGBBHKCP-VNAATALASA-N 226.319 2.957 0 50 BFAA Cc1cccn(C[C@H]2CCCC2(F)F)c1=O 334570412 VUOPQPFWXYZONX-SNVBAGLBSA-N 227.254 2.592 0 50 BFAA FC(F)c1nnc(N2C[C@H]3CCC[C@H]3C2)s1 336499385 WDDIDEUBWPAWJM-KNVOCYPGSA-N 245.298 2.712 0 50 BFAA C[C@H]1C[C@@H](C)CCN(c2ncnc3[nH]ccc23)C1 443878396 LXZHMFRVVFINOL-QWRGUYRKSA-N 244.342 2.830 0 50 BFAA CCN(CC)c1ccc2ccc(=O)oc2c1 58059 QXAMGWKESXGGNV-UHFFFAOYSA-N 217.268 2.639 0 50 BFAA COC(=O)c1sccc1-c1ccc(C=O)o1 165169 RZYUUAQLLIBFPT-UHFFFAOYSA-N 236.248 2.607 0 50 BFAA COc1ccc(NC(=O)N2CCCCC2)cc1 198841 OPWCVPAEKSXDEJ-UHFFFAOYSA-N 234.299 2.713 0 50 BFAA Cc1ccc(Cn2c(=O)oc3ccccc32)cc1 203178 RWEIHCNUVWZMOR-UHFFFAOYSA-N 239.274 2.951 0 50 BFAA O=c1cc[nH]c2c(Cl)ccc(Cl)c12 332078 OSBCPHAGCKLYDB-UHFFFAOYSA-N 214.051 2.835 0 50 BFAA COc1ccc(C)cc1NC(=O)c1cccnc1 438399 CDJFXULWJRNRJX-UHFFFAOYSA-N 242.278 2.651 0 50 BFAA CC(=O)c1cccc(NC(=O)C2CCC2)c1 476190 SPQHZEZUSOSXDB-UHFFFAOYSA-N 217.268 2.628 0 50 BFAA in-vitro Cc1ccc(C)c(C(=O)NCc2ccco2)c1 514717 CNPLVQAVKXETCP-UHFFFAOYSA-N 229.279 2.826 0 50 BFAA O=C(NCc1ccccc1F)c1cccs1 1052227 OSVGMRRNTWTZGC-UHFFFAOYSA-N 235.283 2.817 0 50 BFAA CCCCO[C@@H](C)OCC(F)(F)F 2242929 DIKMXGDAKSQQSJ-SSDOTTSWSA-N 200.200 2.728 0 50 BFAA biogenic,in-vitro C[C@@H](CCO)c1cn(C)c2ccccc12 2548283 WHQZINALYHALBY-JTQLQIEISA-N 203.285 2.664 0 50 BFAA CCn1nccc1C(=O)Nc1cc(C)ccc1F 2761015 IDISJFVHRIXCJE-UHFFFAOYSA-N 247.273 2.603 0 50 BFAA NCCCn1c2c(c3ccccc31)CCCC2 3158792 LBUAYBMAAPFSJH-UHFFFAOYSA-N 228.339 2.869 0 50 BFAA COc1ccc2ccccc2c1-c1cc(N)[nH]n1 4234688 MHPDQYCAIAIAKG-UHFFFAOYSA-N 239.278 2.821 0 50 BFAA CC(C)C(=O)NCc1ccccc1C(F)(F)F 5497342 VVESXGMCQFFMFU-UHFFFAOYSA-N 245.244 2.978 0 50 BFAA Cc1ccc2nc(-c3ccncc3)[nH]c2c1 5818456 VSAHWCWASCZTME-UHFFFAOYSA-N 209.252 2.933 0 50 BFAA COc1cccc([C@@H](C)NC(=O)c2ccco2)c1 6699885 DUUWOVRUWLQKFP-SNVBAGLBSA-N 245.278 2.779 0 50 BFAA N[C@@H]1CCCc2ccc(Br)cc21 8699641 PHUSWQSCHYYQQF-SNVBAGLBSA-N 226.117 2.785 0 50 BFAA Nc1nc(-c2ccc(N3CCCC3)cc2)cs1 8729907 LAAAYLCXBDADNM-UHFFFAOYSA-N 245.351 2.993 0 50 BFAA in-vitro CC(C)c1ccc(-c2nc(O)cc(=O)s2)cc1 8781700 ZZUCUOKIFSANOC-UHFFFAOYSA-N 247.319 2.999 0 50 BFAA Brc1ccc(-n2cccn2)cc1 16125174 SQCVGDMTHFQUKS-UHFFFAOYSA-N 223.073 2.635 0 50 BFAA in-vitro O=C1CCc2c(Br)cc(F)cc21 36421241 KBBCLUTZUIWTON-UHFFFAOYSA-N 229.048 2.717 0 50 BFAA in-vitro O=C(O)c1ccc(OCC2CC2)c(Cl)c1 42393336 BLMUANMNUNBEJS-UHFFFAOYSA-N 226.659 2.827 0 50 BFAA in-vitro OCc1ccc(Cl)c(Br)c1 44608010 ZUXLQZNUPRSYEX-UHFFFAOYSA-N 221.481 2.595 0 50 BFAA in-vitro CCOC(=O)c1csc2c1CCCC2 51512116 PRLFFGNMYPVCOW-UHFFFAOYSA-N 210.298 2.804 0 50 BFAA in-vitro O=C1CCOc2cc(Br)c(F)cc21 116924281 GJIKUJVFHWCVKW-UHFFFAOYSA-N 245.047 2.553 0 50 BFAA C[C@@H](C(=O)Nc1ccc(F)cc1)n1cccc1 130145692 JTEHJUQKORYDNF-JTQLQIEISA-N 232.258 2.827 0 50 BFAA C[C@]1(F)C[C@@H](C(=O)OCc2ccccc2)C1 147143825 ZMSABYXKKSYNSC-BJHJDKERSA-N 222.259 2.868 0 50 BFAA O=C(Nc1cccnc1)Nc1ccsc1 158337693 TXIYGAAOIJDOHJ-UHFFFAOYSA-N 219.269 2.787 0 50 BFAA COc1cc(Cl)ncc1C(F)(F)F 238341636 ZETMFNUAHWLLIB-UHFFFAOYSA-N 211.570 2.762 0 50 BFAA CC(=O)Nc1cc(N2C[C@H]3CC[C@H]2C3)ccc1C 1875321484 KDRKOAXRELKSDH-STQMWFEESA-N 244.338 2.942 0 50 BFAA COc1ccc(C(=O)c2cccs2)cc1 119788 KYVBFEMQEUXVQB-UHFFFAOYSA-N 218.277 2.988 0 50 BFAA in-vitro O=C(c1ccc(F)c(F)c1)N1CCCCCC1 139740 CHWZUXSUNJTJNH-UHFFFAOYSA-N 239.265 2.981 0 50 BFAA O[C@H]1CCCN(Cc2cccc3ccccc23)C1 237622 YEZFYEJRKPRXID-HNNXBMFYSA-N 241.334 2.797 0 50 BFAA O=C(O)Cc1c(Cl)cccc1Cl 388514 SFAILOOQFZNOAU-UHFFFAOYSA-N 205.040 2.621 0 50 BFAA in-vitro OCc1ccccc1OCc1ccccc1F 473451 MNGSMTRKDFCUNV-UHFFFAOYSA-N 232.254 2.897 0 50 BFAA CCCn1cnc2c(N)c(C)c(C)cc21 1388538 JPWQMXNHBYJVKR-UHFFFAOYSA-N 203.289 2.645 0 50 BFAA CCc1ccccc1NC(=O)CN1CCCCC1 4904693 LDLVXSYDEBQJCD-UHFFFAOYSA-N 246.354 2.673 0 50 BFAA CCN(CC)C(=O)Sc1cc(O)ccc1O 23279840 CWOWMWIATNBIPM-UHFFFAOYSA-N 241.312 2.652 0 50 BFAA CCOC(=O)c1ccc(NCC(F)(F)F)cc1 40354859 DOVWWSYGBWFLQJ-UHFFFAOYSA-N 247.216 2.838 0 50 BFAA CCc1cc(N)cc(Br)c1 64033427 YPAQYCIEIXDIQG-UHFFFAOYSA-N 200.079 2.594 0 50 BFAA in-vitro Cc1noc(CN(C)C[C@H](C)c2ccccc2)n1 65371694 MGZHEEYUELLDMM-NSHDSACASA-N 245.326 2.614 0 50 BFAA C1=CC[C@@H](c2nccn2CCn2cccn2)CC1 71760448 IJNCLIAIPVEGFH-CYBMUJFWSA-N 242.326 2.604 0 50 BFAA Cc1ccc(-c2nc([C@@H]3CCOC3)no2)cc1F 96139008 HWYHECBQCRGQMB-SNVBAGLBSA-N 248.257 2.688 0 50 BFAA FC(F)(F)c1ccc2c(c1)[C@H]1CNC[C@H]2C1 100425676 RNOBTWYQAWEZHH-HTQZYQBOSA-N 227.229 2.880 0 50 BFAA Cc1cccc(Br)c1CCC(=O)O 221972349 DDGLXWBHCAYDMC-UHFFFAOYSA-N 243.100 2.775 0 50 BFAA CC(C)(C)OC(=O)N1CC(Oc2ccccc2)C1 238173176 CTNHCTDBYOYTEG-UHFFFAOYSA-N 249.310 2.685 0 50 BFAA O=C(O)c1cccc(Cl)c1OC(F)(F)F 238675584 MAKAMAYBRNALKD-UHFFFAOYSA-N 240.564 2.937 0 50 BFAA COC(=O)C[C@H](c1ccnc(Cl)c1)C1CC1 253496152 MCHAHPNGMPXGCC-JTQLQIEISA-N 239.702 2.792 0 50 BFAA C[C@H](C(=O)N1CC(Cc2ccccc2)C1)C1CC1 378495555 MVECCDPXNNOHLH-LBPRGKRZSA-N 243.350 2.734 0 50 BFAA O=C(O)c1ccccc1-c1noc(C2CCC2)n1 725273743 YWHXVLJDCKYZIA-UHFFFAOYSA-N 244.250 2.702 0 50 BFAA C=CC(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C 848979431 WMKVOZSWMDJNSZ-CMPLNLGQSA-N 233.286 2.716 0 50 BFAA Clc1ccc(C2[N@@]3CCC[N@]23)c(Cl)c1 1857524623 MHSDNZOIEHWIIL-ZIAGYGMSSA-N 229.110 2.928 0 50 BFAA Cc1nc(-c2ccc(CN(C)C)cc2)ccc1O 2356164573 YEBVSCQNWQJHMJ-UHFFFAOYSA-N 242.322 2.824 0 50 BFAA CC(=O)CC(=O)Nc1cccc(Cl)c1Cl 64256 FDTQHEASYFCFLI-UHFFFAOYSA-N 246.093 2.911 0 50 BFAA O=S(=O)(c1ccsc1)c1ccsc1 115881 SXSCQXYDPKQSFK-UHFFFAOYSA-N 230.335 2.642 0 50 BFAA Cc1ccc(CN(C)C2CCN(C)CC2)s1 217927 RPVACLUYJCXYEJ-UHFFFAOYSA-N 238.400 2.583 0 50 BFAA CCOc1ccc(Br)cc1 407014 WVUYYXUATWMVIT-UHFFFAOYSA-N 201.063 2.848 0 50 BFAA CC(C)(C)[C@@H]1CCc2onc(C(=O)O)c2C1 818993 YAICHDLMXOAJLD-SSDOTTSWSA-N 223.272 2.524 0 50 BFAA Cc1ccc2nc(-c3ccccc3)cc(=O)n2c1 1636778 XAJJRVMNUNCIMO-UHFFFAOYSA-N 236.274 2.670 0 50 BFAA O=C(Nc1ccccc1)[C@H](F)C(F)(F)F 1792942 ATXNFKAJSJKHIX-ZETCQYMHSA-N 221.153 2.526 0 50 BFAA CN(C)C(=O)Nc1ccc(F)c(Cl)c1 2877796 OMDLYJHSNZPTEW-UHFFFAOYSA-N 216.643 2.573 0 50 BFAA CCc1cc(Br)ccc1O 5688567 MAAADQMBQYSOOG-UHFFFAOYSA-N 201.063 2.717 0 50 BFAA in-vitro CCCOc1ccc(C(=O)N2CCCC2)cc1 6702568 CKJLUROLWAOIFX-UHFFFAOYSA-N 233.311 2.711 0 50 BFAA CC(C)C(=O)Nc1cccc(NC(=O)C2CC2)c1 9231686 ITHKYYSUNOFFFN-UHFFFAOYSA-N 246.310 2.630 0 50 BFAA CCCNC(=O)N[C@@H](C)c1ccc(C)cc1 13321250 RBQURYMAUYGLIZ-NSHDSACASA-N 220.316 2.765 0 50 BFAA Clc1n[nH]c2ccc(Br)cc12 14983565 SWJXMRPKABLFAG-UHFFFAOYSA-N 231.480 2.979 0 50 BFAA in-vitro CC(C)c1noc(CSc2ccncc2)n1 20293747 KNISBXLOTPHYQB-UHFFFAOYSA-N 235.312 2.880 0 50 BFAA c1ccc2c(c1)CCN[C@H]2Cc1ccncc1 23397190 XZXRLJQGLNCIJN-HNNXBMFYSA-N 224.307 2.511 0 50 BFAA FC(F)c1cncc(Br)c1 32299482 YEIYXHOMHKPBGQ-UHFFFAOYSA-N 208.005 2.782 0 50 BFAA in-vitro COC(=O)N1C=CC=CC2=C1CCCC2 45069477 BULHBVYVQDRQJL-UHFFFAOYSA-N 205.257 2.966 0 50 BFAA CCC[C@@H](C)C(=O)Nc1cnc2n1CCCC2 67774935 SDWGBWCWIPMRIM-SNVBAGLBSA-N 235.331 2.594 0 50 BFAA COC(=O)c1ccc(-c2ccc(F)cc2F)nc1 97757310 HZINORPUINEQOD-UHFFFAOYSA-N 249.216 2.813 0 50 BFAA CSCCOc1ccc(-n2cccn2)cc1 170595991 KLDHYOQUFLXYQI-UHFFFAOYSA-N 234.324 2.614 0 50 BFAA C[C@@H]1C[C@H]([C@@H](F)C(=O)O)CC(C)(C)C1 224637243 JEGHILZSWHCDQW-HRDYMLBCSA-N 202.269 2.872 0 50 BFAA Fc1cccc2[nH]cc([C@H]3CCOC3)c12 255190518 XSXDDLGCIRWTPJ-QMMMGPOBSA-N 205.232 2.811 0 50 BFAA Cc1cnccc1CN1CCC(CF)CC1 295084922 QUQVJVVJARLOFL-UHFFFAOYSA-N 222.307 2.572 0 50 BFAA CO[C@H]1CCN(c2ncc(Cl)cc2Cl)C1 335777592 KVNAZJWOBYLOHI-QMMMGPOBSA-N 247.125 2.614 0 50 BFAA O=C(N[C@@H]1CC=CCC1)[C@@H]1CC12CCCC2 336346840 BRJIQGRHOJNZJJ-NEPJUHHUSA-N 219.328 2.792 0 50 BFAA CC(C)(C)OC(=O)N1CCC[C@@]12CCC(=O)C2 953101457 QKQMTBUNBUEFQE-ZDUSSCGKSA-N 239.315 2.509 0 50 BFAA C=CC(=O)N[C@@H](C)c1ccc2c(c1)CCC2 1875365995 LSEHUDOHUMTGPC-JTQLQIEISA-N 215.296 2.539 0 50 BFAA O=C(O)c1cc2ccccc2n1C1CCOCC1 2325712104 LIIUXMBFIQBDSB-UHFFFAOYSA-N 245.278 2.691 0 50 BFAA CCCc1noc2c1-c1onc(O)c1C(C)(C)C2 196775 LEEDURMQWQDVCX-UHFFFAOYSA-N 248.282 2.821 0 50 BFAA C[C@H]1S[C@H](c2cccc(Cl)c2)NC1=O 208324 DSDPWHIBVHAATJ-LHLIQPBNSA-N 227.716 2.590 0 50 BFAA O=C(O)c1cc(-n2cccc2)ccc1Cl 253709 HPAOLHCBQKYITR-UHFFFAOYSA-N 221.643 2.829 0 50 BFAA in-vitro NC1=NN2C(=CS[C@@H]2c2ccccc2)S1 297785 KMFIBTJJVASSRH-SECBINFHSA-N 235.337 2.509 0 50 BFAA COc1ccc2c(C)c(Cl)c(=O)oc2c1 338391 AEMKPSYXSVLTAJ-UHFFFAOYSA-N 224.643 2.763 0 50 BFAA biogenic,in-vitro C[C@H](NC(=O)C(C)(C)C)c1ccccc1 409777 HBBKPRZFGXDWHG-JTQLQIEISA-N 205.301 2.910 0 50 BFAA COc1ccc2cc([C@H](C)O)ccc2c1 4071865 OUVJWFRUESFCCY-VIFPVBQESA-N 202.253 2.902 0 50 BFAA in-vitro CCOc1cc(C)c(Br)cn1 6870208 YHBHSFKVMVMPGU-UHFFFAOYSA-N 216.078 2.551 0 50 BFAA in-vitro Cc1cc(C(=O)O)nn1-c1ccc(Cl)cc1 8700394 GXRKKZGRDQQESI-UHFFFAOYSA-N 236.658 2.532 0 50 BFAA in-vitro CC(C)N[C@@H](C)[C@H](O)c1cccc2c1CCCC2 9350070 VKOGIFHBTYBZBN-LRDDRELGSA-N 247.382 2.985 0 50 BFAA Brc1ccccc1CNC1CC1 12480194 SBKDFWWYKALTKE-UHFFFAOYSA-N 226.117 2.701 0 50 BFAA in-vitro c1cncc(CNCc2ccc3[nH]ccc3c2)c1 15424193 USTRMSVAVRFCNP-UHFFFAOYSA-N 237.306 2.853 0 50 BFAA Nc1cc(Br)c2[nH]ccc2c1 16678021 IDSDTLAEQBFCMV-UHFFFAOYSA-N 211.062 2.513 0 50 BFAA in-vitro CC(C)[C@H](O)c1ccc([C@@H](C)C(=O)O)cc1 22060698 RMOQYHYFRKTDRI-SKDRFNHKSA-N 222.284 2.564 0 50 BFAA world O[C@H]1Cc2ccccc2N(c2ccccc2)C1 71773066 QIUKNCLOOBFEAK-AWEZNQCLSA-N 225.291 2.742 0 50 BFAA CC(C)(C)OC(=O)NCc1ccc(Cl)cn1 71788838 IKOORUXAVMEHTF-UHFFFAOYSA-N 242.706 2.760 0 50 BFAA in-vitro Nc1ccc2nccc(Br)c2c1 71789977 IPBLCYPXZCWACR-UHFFFAOYSA-N 223.073 2.580 0 50 BFAA in-vitro CC/C=C(\C)CN1CCC2(CCNCC2)CC1 72135216 LEECOMZQUIUTMD-LNKIKWGQSA-N 236.403 2.808 0 50 BFAA c1ccc(C2(CN[C@@H]3CCOC3)CCCC2)cc1 88677069 ZUYBDFBPSYOARP-OAHLLOKOSA-N 245.366 2.877 0 50 BFAA CCCCNC[C@@H]1CCc2ccccc2C1=O 96026769 QEFOJXJATBWTAB-ZDUSSCGKSA-N 231.339 2.821 0 50 BFAA Cc1cccc(-c2c[nH]nc2[C@@H]2CCCNC2)c1 96988003 SOEFNWDHLIBMIE-CYBMUJFWSA-N 241.338 2.852 0 50 BFAA CC[C@H](N[C@@H](C)CO)c1cccc(Cl)c1F 135042683 OSFACSNLGUTYCU-KWQFWETISA-N 245.725 2.901 0 50 BFAA CCN(Cc1ccc(-n2ccnc2)cc1)C1CC1 170643275 PTKVOTRBZFNPPP-UHFFFAOYSA-N 241.338 2.857 0 50 BFAA CC(C)(C)CN1CCCN(C2CCCC2)CC1 179772454 ZZPDEPGNVGNCEJ-UHFFFAOYSA-N 238.419 2.983 0 50 BFAA CS[C@@H]1CCC[C@@H](Nc2cnccn2)C1 227358081 BOWKSLVJJFNLCO-NXEZZACHSA-N 223.345 2.563 0 50 BFAA Cc1cccc([C@H]2CCCN2CCC(=O)O)c1C 237728289 DGTHKSIUIULRJB-CQSZACIVSA-N 247.338 2.915 0 50 BFAA Clc1cccc(-c2nnc3n2CCCC3)c1 258169359 INTORSNUPSDMOH-UHFFFAOYSA-N 233.702 2.935 0 50 BFAA FC(F)(F)CN[C@@H]1CC2CCC1CC2 307427311 SAFYMHUJZQEIRA-AMDVSUOASA-N 207.239 2.717 0 50 BFAA Oc1ncnc2[nH]cc(-c3cc(F)cc(F)c3)c12 2325823031 CCMUWGWZAMUSOS-UHFFFAOYSA-N 247.204 2.609 0 50 BFAA CC[C@@H](Sc1nc2ccccc2[nH]1)C(=O)O 91125 PUNPYITWFHQFFX-SECBINFHSA-N 236.296 2.518 0 50 BFAA C=CC(=O)Nc1ccc(Br)cc1 454029 ZSBLNRQSHLZWNV-UHFFFAOYSA-N 226.073 2.574 0 50 BFAA in-vitro COc1c(OC)c2occc2c2oc(=O)ccc12 898309 BQPRWZCEKZLBHL-UHFFFAOYSA-N 246.218 2.556 0 50 BFAA biogenic,in-vitro Fc1ccccc1Cc1ccc(Cl)nn1 1393503 NUSUDJFZOPVUDR-UHFFFAOYSA-N 222.650 2.860 0 50 BFAA Cc1cc(I)c(C)s1 1692673 SHOXGOWAOZUVEB-UHFFFAOYSA-N 238.093 2.970 0 50 BFAA Cc1ccc(OCCCn2ccnc2)cc1C 2497243 BVJQFSKSXFEDIP-UHFFFAOYSA-N 230.311 2.969 0 50 BFAA Nc1cnn(Cc2cccc(C(F)(F)F)c2)c1 2534301 LOKCMEOLWDYGIQ-UHFFFAOYSA-N 241.216 2.532 0 50 BFAA in-vitro CC(=O)c1ccc(C)c(Br)c1 2583727 PDJLFESXPVLVMR-UHFFFAOYSA-N 213.074 2.960 0 50 BFAA in-vitro CCn1c(CN2CCCC2)nc2ccccc21 4810250 AHYPNNBYLFKRMF-UHFFFAOYSA-N 229.327 2.652 0 50 BFAA CCCCS(=O)(=O)Nc1ccccc1C 6706531 ZOEQMWROVVAFAJ-UHFFFAOYSA-N 227.329 2.537 0 50 BFAA O=C(Nc1cccnc1)[C@H]1CC12CCCCC2 19839448 FBINDLYDEWNFNL-GFCCVEGCSA-N 230.311 2.991 0 50 BFAA C1=CC[C@H](CN2CCN(C3CCCC3)CC2)CC1 19913683 MRCGNJCHHNUUBF-HNNXBMFYSA-N 248.414 2.903 0 50 BFAA CCOc1cccc(CNC(=O)C(C)(C)C)c1 48377416 MHELDKZUBSCPQE-UHFFFAOYSA-N 235.327 2.748 0 50 BFAA Cc1cc(C)n([C@@H](C)c2nc(C(C)(C)C)no2)n1 65461515 VZBXNZGNVYVFSK-JTQLQIEISA-N 248.330 2.790 0 50 BFAA Cc1cc(Br)cc(F)c1C(=O)O 83428739 VFWRRIRDHDOGEE-UHFFFAOYSA-N 233.036 2.595 0 50 BFAA in-vitro O=C(O)CCCN1CCC[C@H]1Cc1ccccc1 116343793 IEZAGVMTLXHJPZ-AWEZNQCLSA-N 247.338 2.558 0 50 BFAA COCCCOc1ccc([C@@H]2CCOC2)cc1 225627822 YMXZUIWKGWIVCC-CYBMUJFWSA-N 236.311 2.606 0 50 BFAA CCOC[C@@H]1CCCN1CCCc1cccnc1 244633077 FWDPTYARVUASMJ-HNNXBMFYSA-N 248.370 2.515 0 50 BFAA CNc1ccc(-c2cccc(C=O)n2)cc1 255188844 LZIBLBKOAWHXTF-UHFFFAOYSA-N 212.252 2.603 0 50 BFAA C=CC(=O)N[C@H](Cc1ccccc1)C(C)(C)C 1776000283 NYWFJSCMVBXGOH-CYBMUJFWSA-N 231.339 2.946 0 50 BFAA C[C@@H](n1ccnc1C1CCCC1)C1(O)CC1 1875249607 ILINXPLOTSRDAK-SNVBAGLBSA-N 220.316 2.627 0 50 BFAA CCCC(=O)Nc1cccc(C(C)=O)c1 362077 JGRVIEYIDAPUKY-UHFFFAOYSA-N 205.257 2.628 0 50 BFAA CCCCNC(=O)c1ccccc1Cl 1598585 PERRBGDAOVSLIV-UHFFFAOYSA-N 211.692 2.870 0 50 BFAA CC(C)(C)OCc1ccc(C(=O)O)cc1 2386894 HXNWRKOKHLXUQN-UHFFFAOYSA-N 208.257 2.700 0 50 BFAA C[C@@H](O)CNCc1ccc(-c2ccccc2F)o1 4942853 JBHGUYDBUZYYQD-SNVBAGLBSA-N 249.285 2.556 0 50 BFAA CC[C@H](NC(=O)c1ccncc1)c1ccccc1 6741539 FOMQFECURSZKJQ-AWEZNQCLSA-N 240.306 2.963 0 50 BFAA COC(=O)[C@H](C)Oc1cc(C)ccc1Cl 6844614 SITBEBOYLOYKGY-QMMMGPOBSA-N 228.675 2.589 0 50 BFAA CC[C@H](C)NC(=O)NC1CCC(C)CC1 13746343 XHWVEVGEDGSVDG-YVNMAJEFSA-N 212.337 2.663 0 50 BFAA Clc1ccn2c(Br)cnc2c1 38537196 LBPZKTZBYAXZDD-UHFFFAOYSA-N 231.480 2.750 0 50 BFAA in-vitro COC(=O)c1ccnc(C(F)(F)F)c1Cl 167733286 QUUWYECFAWHCDC-UHFFFAOYSA-N 239.580 2.540 0 50 BFAA CN1C[C@H]2CC=CC[C@@]2(c2ccccc2)C1 215996218 AHGAVHJUYSTWDF-CABCVRRESA-N 213.324 2.836 0 50 BFAA C[C@]12C[C@H]1CN(Cc1nc3c(s1)CCCC3)C2 1772817510 RYRXEPOGNKLOSR-IINYFYTJSA-N 248.395 2.864 0 50 BFAA O=C(O)CCN[C@@H]1CCCC2(CCCC2)C1 1776006230 PPBDSSDYYXFARW-LLVKDONJSA-N 225.332 2.554 0 50 BFAA Cc1noc2cc(NC(=O)NCC3CC3)ccc12 2325761139 GGMBUPWYWMAYIA-UHFFFAOYSA-N 245.282 2.668 0 50 BFAA O=C(c1cccs1)N1CCCCCC1 292690 UDZYNWWJENOUDZ-UHFFFAOYSA-N 209.314 2.764 0 50 BFAA CCOC(=O)c1cnc(Cl)cc1Cl 331074 AAUBVINEXCCXOK-UHFFFAOYSA-N 220.055 2.565 0 50 BFAA CC[C@H](C)[C@H](C(=O)N(C)C)c1ccccc1 394448 NLMQKWIDHNGIQC-AAEUAGOBSA-N 219.328 2.905 0 50 BFAA CCNC(=S)N1CC=C(c2ccccc2)CC1 616660 VIIQEJJUZAZVTB-UHFFFAOYSA-N 246.379 2.670 0 50 BFAA CCn1c(SC)nnc1-c1ccc(F)cc1 732279 WCJSBZARSFCDPQ-UHFFFAOYSA-N 237.303 2.826 0 50 BFAA CC(=O)Cc1ccccc1Br 2518628 TZIAZLUAMDLDJF-UHFFFAOYSA-N 213.074 2.581 0 50 BFAA in-vitro FC(F)[C@@H]1C[C@@H](c2ccco2)Nc2ccnn21 2783357 HMUFMRKIUCOGLX-YUMQZZPRSA-N 239.225 2.839 0 50 BFAA C[C@H]1[C@H](C)C1(Br)Br 3051605 LHYCCVIMMLLDLH-IMJSIDKUSA-N 227.927 2.758 0 50 BFAA CC(C)(C)NC(=O)/C=C/c1ccccc1 3161299 DQEWVEDDMGKPDM-MDZDMXLPSA-N 203.285 2.615 0 50 BFAA CCNC(=O)NCC12CC3CC(CC(C3)C1)C2 3894906 OQLBDNGWXPUYFT-UHFFFAOYSA-N 236.359 2.522 0 50 BFAA COc1ccc([C@@H](O)c2ccccc2OC)cc1 5360624 PZTCHFCMZOXVNP-OAHLLOKOSA-N 244.290 2.786 0 50 BFAA C[C@@]12CC3CC(CC(N)=O)(C1)C[C@](C)(C3)C2 12410081 CLKVYOBTIWGMJZ-AMZBWDOQSA-N 221.344 2.858 0 50 BFAA N[C@H](c1ccccc1)c1nc2ccccc2[nH]1 53513238 XNHQMCNLONGDFY-CYBMUJFWSA-N 223.279 2.611 0 50 BFAA CC[C@@H](CO)N(Cc1ccsc1)CC1CC1 55212144 YFDFROJBQUUQJH-ZDUSSCGKSA-N 239.384 2.731 0 50 BFAA CCC[C@@H](C)c1nccn1CCN1CCCC1 71774599 MMEOBAPWXXOEFX-CYBMUJFWSA-N 235.375 2.883 0 50 BFAA COC(=O)c1cccc2sc(Cl)nc12 82046467 WGQADQNXJQHAOI-UHFFFAOYSA-N 227.672 2.736 0 50 BFAA in-vitro CC(C)(C)N(C(=O)O)c1cccc(O)c1 116509067 UXBBAQJUNDJPCQ-UHFFFAOYSA-N 209.245 2.675 0 50 BFAA CC[C@@H](NC[C@@H](C)O)c1cccc(Cl)c1F 135041838 MYMBVQKDJAGPLB-LDYMZIIASA-N 245.725 2.901 0 50 BFAA O=Cc1ccc(OCC2CC2)c(OC(F)F)c1 140645209 GMUQKCKJXAMWGY-UHFFFAOYSA-N 242.221 2.889 0 50 BFAA FC(F)(F)Oc1cccc([C@H]2CCNC2)c1 390050932 HVWNWEKZBJRTEE-VIFPVBQESA-N 231.217 2.662 0 50 BFAA COC(=O)Cc1cc(Cl)nc2c(C)cccc12 675081376 BGVVNTNINOVSCP-UHFFFAOYSA-N 249.697 2.912 0 50 BFAA CC(C)=CCCN(CCO)Cc1cccs1 1529198520 BQEXRBSGAVGZLX-UHFFFAOYSA-N 239.384 2.899 0 50 BFAA C=CC(=O)Nc1cccc(-n2cccc2)c1C 1772718311 CIOIEKHAZXAQAG-UHFFFAOYSA-N 226.279 2.910 0 50 BFAA CCc1n[nH]cc1-c1ccc(OC)cc1OC 2356161253 MQUGMIKZYUPQKD-UHFFFAOYSA-N 232.283 2.656 0 50 BFAA COc1c2ccoc2cc2oc(C)cc(=O)c12 120179 NZVQLVGOZRELTG-UHFFFAOYSA-N 230.219 2.856 0 50 BFAA biogenic,in-vitro O=C(c1ccccc1Cl)N1CCCC1 126075 GJOSCESYZNHDFC-UHFFFAOYSA-N 209.676 2.576 0 50 BFAA COc1cccc(NC(=O)Nc2cc(C)on2)c1 137602 ANLHQKKIKUNVBD-UHFFFAOYSA-N 247.254 2.636 0 50 BFAA CCOC(=O)Nc1ccc(OCC)cc1 242828 RTAWHUYTVOWYLU-UHFFFAOYSA-N 209.245 2.654 0 50 BFAA CCNC(=O)C1(c2ccccc2)CCCC1 270891 UOSMLJMYMNZUQP-UHFFFAOYSA-N 217.312 2.635 0 50 BFAA Cc1ccoc1C(=O)Nc1ccccc1 284692 QNMLDXNBSGLHCA-UHFFFAOYSA-N 201.225 2.840 0 50 BFAA CCC(=O)N1C(=O)O[C@H](c2ccccc2)[C@@H]1C 391236 ZMRFZBKROHCLIL-CABZTGNLSA-N 233.267 2.505 0 50 BFAA in-vitro Fc1cccc(-c2nc(-c3ccncc3)no2)c1 1423375 ANHSLANDHCMYPW-UHFFFAOYSA-N 241.225 2.938 0 50 BFAA Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)no1 2751741 PSRQPFSQPUKINL-VXGBXAGGSA-N 242.278 2.725 0 50 BFAA Cc1occc1C(=O)Nc1ccccc1C(=O)O 2872990 MDRZZFBPVFJTIQ-UHFFFAOYSA-N 245.234 2.539 0 50 BFAA O=C(O)[C@@H](NCc1ccccc1)c1ccccc1 4381490 LCRCODPYSHSWAR-AWEZNQCLSA-N 241.290 2.602 0 50 BFAA Fc1cccc(Cl)c1Cn1ccnc1 4385932 WVFQLVIXKSHYTH-UHFFFAOYSA-N 210.639 2.724 0 50 BFAA S=c1[nH][nH]c(=S)n1-c1ccccc1 4530329 HHMMSIFWVIWYNN-UHFFFAOYSA-N 209.299 2.592 0 50 BFAA O=S(=O)(O)c1cccc2c1oc1ccccc12 4787453 XISHFZZASFHUMB-UHFFFAOYSA-N 248.259 2.833 0 50 BFAA Cc1ccc(C[C@H](C)N(C)CCCC(=O)O)cc1 151134189 OWUOJFAABYKZLO-ZDUSSCGKSA-N 249.354 2.723 0 50 BFAA CCc1cc(O)ccc1NC(=O)[C@H]1C[C@@H]1C 191014930 GPUSEFGLBZWAAO-KWQFWETISA-N 219.284 2.549 0 50 BFAA N[C@H]1CCc2c1ccc(F)c2Br 238613677 VKHLAHONTVDNNH-QMMMGPOBSA-N 230.080 2.534 0 50 BFAA Cc1ccc(OC(F)F)nc1Br 263623105 DRVWJXHZDWNHPL-UHFFFAOYSA-N 238.031 2.754 0 50 BFAA Brc1cscc1-c1cc[nH]n1 725272439 FICRGRLXYJJLKQ-UHFFFAOYSA-N 229.102 2.901 0 50 BFAA CCN(CCn1cccn1)C[C@H]1CC=CCC1 952868238 GVPIJWOJGYRCBW-AWEZNQCLSA-N 233.359 2.561 0 50 BFAA OCc1cccnc1-c1nc2ccccc2s1 1462949 ZUBRIOGHEPQOKG-UHFFFAOYSA-N 242.303 2.851 0 50 BFAA CCOC(=O)NOCc1ccccc1Cl 3086139 ORCJIAJKHWSJIZ-UHFFFAOYSA-N 229.663 2.518 0 50 BFAA Cc1c(C(=O)N2CCCC2)oc2ccccc12 5446758 BRVUIVIGDPTKIG-UHFFFAOYSA-N 229.279 2.977 0 50 BFAA O=C(NCCSC1CCCC1)c1ccco1 40082512 XWGVFFOYGANARW-UHFFFAOYSA-N 239.340 2.685 0 50 BFAA CCOC(=O)c1cc(-c2ccc(F)cc2C)on1 260512016 VRFJMAGGZMURNH-UHFFFAOYSA-N 249.241 2.966 0 50 BFAA Cc1cc(N)cc(CNC(=O)OC(C)(C)C)c1 306492909 QXFVUHGOFINSDJ-UHFFFAOYSA-N 236.315 2.602 0 50 BFAA O=C(Nc1ccc2nc[nH]c2c1)[C@H]1C[C@H]1C1CC1 333065599 TYFCDTLZYYBMEV-QWRGUYRKSA-N 241.294 2.548 0 50 BFAA CC(=O)Nc1ccc2c(c1)C=CC1(CCC1)O2 887273982 HCHXFWVPIQBRAY-UHFFFAOYSA-N 229.279 2.973 0 50 BFAA CSc1ccccc1NC(=O)[C@@H]1CCCO1 1053916 BQDACGQLUTWKJM-JTQLQIEISA-N 237.324 2.526 0 50 BFAA CC(C)Oc1ccc(Cl)cc1C(=O)O 2584126 BZSZQGDPHHWWKY-UHFFFAOYSA-N 214.648 2.825 0 50 BFAA in-vitro CSc1cccc(N[C@@H]2CN3CCC2CC3)c1 3684142 UHHDNZANHAVZRM-CQSZACIVSA-N 248.395 2.915 0 50 BFAA O=C(C1CCCC1)N1CCCCCCC1 6730708 GBTYVOYMDZDVSC-UHFFFAOYSA-N 209.333 2.969 0 50 BFAA CC[C@@](C)(CCN)c1ccccc1OC 12953716 MEAPSHHXCPRNDS-ZDUSSCGKSA-N 207.317 2.712 0 50 BFAA in-vitro CCN1CCN(Cc2ccc(C(C)C)cc2)CC1 19537675 ZHFIHCVPXKBBBJ-UHFFFAOYSA-N 246.398 2.948 0 50 BFAA CC(=O)c1cnn(-c2ccc(F)cc2F)c1C 20216605 ULUOCLZKDTYTJX-UHFFFAOYSA-N 236.221 2.662 0 50 BFAA in-vitro CC(C)C1=C[C@@H]2[C@H](CC[C@]2(C)O)[C@](C)(O)CC1 26832400 IWQURBSTAIRNAE-YJNKXOJESA-N 238.371 2.891 0 50 BFAA biogenic,in-vitro Cc1cccc(OCC(=O)N(C)CC2CCC2)c1 110466622 JIVGKPQUHDYVTN-UHFFFAOYSA-N 247.338 2.632 0 50 BFAA CC(C)[C@@H]1CC[C@H](C)CCN1C(=O)c1cc[nH]n1 117207351 QPXKETNWBMTTCQ-AAEUAGOBSA-N 249.358 2.697 0 50 BFAA Brc1ccc(-c2ccncn2)s1 138121253 ZFBBQTASCQOFTA-UHFFFAOYSA-N 241.113 2.968 0 50 BFAA CCS[C@H]1CCCC[C@H]1NCc1ccon1 189513306 XDDSSJLNAQVRIT-NEPJUHHUSA-N 240.372 2.829 0 50 BFAA Cn1c(C(=O)N2CCC2)cc2ccc(Cl)cc21 215331320 BBTCECMOKYVRJL-UHFFFAOYSA-N 248.713 2.678 0 50 BFAA CC1(C)Cc2nc(Cl)nc(Cl)c2C1 215483674 PEYXXCVXEIAINQ-UHFFFAOYSA-N 217.099 2.908 0 50 BFAA CC(C)C(=O)NCC1CC(c2ccccc2)C1 253392564 DCEFPYQKIVJXEO-UHFFFAOYSA-N 231.339 2.952 0 50 BFAA CC(C)n1ccc(C(=O)N[C@@H]2C[C@]2(C)C(C)C)n1 408520036 PGHXUNMZTUIGFX-TZMCWYRMSA-N 249.358 2.628 0 50 BFAA C=CC(=O)Nc1cnn(-c2cccc(C)c2)c1C 1336701071 CLQFXEFHASELCS-UHFFFAOYSA-N 241.294 2.614 0 50 BFAA CCCC[B-]1(CCCC)N[C@@H](C)N[C@H](C)N1 1848444175 SFHJIWKJGAXQNC-RYUDHWBXSA-N 226.197 2.503 0 50 BFAA COc1ccccc1[C@@H](CCN)c1ccco1 141560 OTDIXAAZRDFVIV-GFCCVEGCSA-N 231.295 2.769 0 50 BFAA in-vitro Cc1ccc(OCc2cc(C(N)=O)oc2C)cc1 446456 GANVHLWAZHUTEU-UHFFFAOYSA-N 245.278 2.574 0 50 BFAA O=C(/C=C/c1ccc(F)cc1)NC1CCCC1 450248 BPUJJHXCXXVJAF-JXMROGBWSA-N 233.286 2.898 0 50 BFAA OCCCC(O)(c1ccccc1)c1ccccc1 1760650 FMSXBGXFTZSEAU-UHFFFAOYSA-N 242.318 2.695 0 50 BFAA COc1ccccc1C(=O)N1CCC[C@@H](C)C1 2774333 QMFRAISWJZVLDG-LLVKDONJSA-N 233.311 2.567 0 50 BFAA CNCCOc1ccc(Cl)c(Cl)c1 2845368 YQUZBSAZFAVTFB-UHFFFAOYSA-N 220.099 2.592 0 50 BFAA COc1ccc([C@H]2CCCN2)cc1Cl 4237897 LNRUVGVHTAWWLO-SNVBAGLBSA-N 211.692 2.773 0 50 BFAA in-vitro CCOc1cccc(CNCc2ccccn2)c1 4413652 HMQWATCFCQAUIS-UHFFFAOYSA-N 242.322 2.770 0 50 BFAA CC1(C)CCC(=O)C[C@@H]1n1nnc2ccccc21 5302952 OOMFOUDIIHKLOL-ZDUSSCGKSA-N 243.310 2.752 0 50 BFAA COC[C@@H]1CCN(C[C@@H]2C[C@H]2c2ccccc2)C1 20512618 GRUSGASPHBKKTJ-KBMXLJTQSA-N 245.366 2.758 0 50 BFAA C[C@H]1c2cc3ccccc3cc2S1(=O)=O 45027656 SLHSKYQPKSHENQ-QMMMGPOBSA-N 218.277 2.688 0 50 BFAA COC(=O)c1ccc(Cl)c(SC)c1 95217934 HRZUXPSAFUPMSG-UHFFFAOYSA-N 216.689 2.849 0 50 BFAA CN1c2ccsc2C(=O)N2CCCCC[C@H]21 96511634 SLZDUWLKTVRKDI-JTQLQIEISA-N 236.340 2.540 0 50 BFAA O=C1OCC[C@@]23CC=CC[C@]12CCCC3 101037626 ITCACGSPBXVUJH-STQMWFEESA-N 206.285 2.830 0 50 BFAA CC(C)C(=O)[C@@H](C)C(=O)c1cccs1 112750688 DRMWZEWTKIYQGK-MRVPVSSYSA-N 210.298 2.792 0 50 BFAA COc1ccc(-c2nc(C(C)(C)C)n[nH]2)cc1F 426423137 VRIKLYFPBCGHTF-UHFFFAOYSA-N 249.289 2.917 0 50 BFAA Cc1cc(Oc2ccc3c[nH]nc3c2)nc(C)n1 436438830 ZPHRFOFLFJYTIK-UHFFFAOYSA-N 240.266 2.762 0 50 BFAA Cn1nccc1-c1cc2cc(F)ccc2[nH]1 584618554 XRDPAGFPVCTTCB-UHFFFAOYSA-N 215.231 2.708 0 50 BFAA CCCn1nccc1-c1nc(C)nn1C(C)(C)C 823033322 RCAFYJXEPUHRPW-UHFFFAOYSA-N 247.346 2.615 0 50 BFAA CC(C)(C)Cc1n[nH]c(Cc2ccccc2)n1 1775998473 DRPPWHUSILBIRE-UHFFFAOYSA-N 229.327 2.984 0 50 BFAA C[C@H]1CCc2c(Cl)nc(Cl)nc2C1 1857784298 FZDKNAIGQIBILC-YFKPBYRVSA-N 217.099 2.908 0 50 BFAA CCC(C)(C)C(=O)Nc1ccc(C(=O)OC)cc1 30837 POUNGFJGLUMLBN-UHFFFAOYSA-N 249.310 2.848 0 50 BFAA Nc1nc(-c2ccc(F)cc2F)cs1 35785 HKUPOLYVZQLXKP-UHFFFAOYSA-N 212.224 2.671 0 50 BFAA biogenic,in-vitro O=C(NCc1ccccc1Cl)c1ccco1 37613 RTIYXOTXOFVDJW-UHFFFAOYSA-N 235.670 2.863 0 50 BFAA O=C(O)c1cc(F)ccc1C(F)(F)F 57043 BRFNBGWEOKQIND-UHFFFAOYSA-N 208.110 2.543 0 50 BFAA in-vitro Cc1ccc(Cn2nnc3ccccc32)cc1 148716 FORQSHUGQDJPRJ-UHFFFAOYSA-N 223.279 2.788 0 50 BFAA COC(=O)c1ccc(CN2CCCC[C@H]2C)cc1 213127 YSWWBSSMMOAMDE-GFCCVEGCSA-N 247.338 2.848 0 50 BFAA Fc1cccc(Cl)c1CNC[C@H]1CCCO1 360095 OABLOMURHFGCKX-SECBINFHSA-N 243.709 2.748 0 50 BFAA COc1ccc2ccc(OC)c(C=O)c2c1 453519 PTTJQHKRNJYUGV-UHFFFAOYSA-N 216.236 2.670 0 50 BFAA in-vitro C[C@@H](NCc1cccnc1)c1ccccc1 805078 QEPYRJGFVSHVHM-GFCCVEGCSA-N 212.296 2.932 0 50 BFAA C[C@H]1CCCCN1C(=O)NC1CCCCC1 6675355 AFXMCRGJJXTSPO-NSHDSACASA-N 224.348 2.903 0 50 BFAA C[C@@H]1CC(C)(C)N2C(=O)C(=O)c3cccc1c32 8879432 YKDZCUAXADGLRL-MRVPVSSYSA-N 229.279 2.502 0 50 BFAA biogenic C[C@H](Cc1nc2ccccc2s1)C(=O)O 12383641 AYJNWWIHAPBLLG-SSDOTTSWSA-N 221.281 2.560 0 50 BFAA Cc1nc(C(=O)Nc2cccc(Cl)c2)co1 22606354 PHHHXISRRDHWQV-UHFFFAOYSA-N 236.658 2.889 0 50 BFAA COc1cncc(-c2ccc(F)cc2)c1 47204800 RRVNYVUQPJSKNT-UHFFFAOYSA-N 203.216 2.896 0 50 BFAA in-vitro Nc1ccc(-c2ccc(F)c(C(=O)O)c2)cc1 74937786 HALRDBNKEGEYSJ-UHFFFAOYSA-N 231.226 2.773 0 50 BFAA in-vitro C[C@@H](N)c1ncc(Cl)cc1Br 91692954 APDSIEIWWORMMP-SCSAIBSYSA-N 235.512 2.517 0 50 BFAA in-vitro CCCCC[C@@H]1C[C@@H](O)C=C(C)[C@H]1C(=O)OC 239432853 WQGFGVARUZYEFH-FRRDWIJNSA-N 240.343 2.683 0 50 BFAA biogenic CC[C@H](C)NC(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 244108373 UIDQXVYENCEMOQ-PJSNJIKXSA-N 238.375 2.909 0 50 BFAA FC1(F)[C@@H]2[C@H]3C[C@H]4[C@@H]5[C@@H]3[C@@H]1[C@@H]5C(F)(F)[C@H]42 245227226 GYFYKIHJGPVWNB-SOLGNJICSA-N 218.193 2.645 0 50 BFAA CCO[C@H](C)C(=O)NC1(c2cccc(C)c2)CC1 426518977 OBLXAUZQIKSWHQ-GFCCVEGCSA-N 247.338 2.525 0 50 BFAA CCc1noc(CN(C)CC2=CCCCC2)n1 823569539 XWWUDOZFHJLERC-UHFFFAOYSA-N 235.331 2.564 0 50 BFAA C=CC(=O)N[C@H](CC)c1cc(F)ccc1OC 1356521406 UEGSSBRQOHZTHY-LLVKDONJSA-N 237.274 2.588 0 50 BFAA C[C@@H]1CCc2c(O)nc([C@@H]3CC3(C)C)nc21 1776004465 SEZRMWJYLLEKTG-APPZFPTMSA-N 218.300 2.745 0 50 BFAA C=CC(=O)NC1([C@H]2CCCc3ccccc32)CC1 1875368106 PQSMUHQTDDEDJM-AWEZNQCLSA-N 241.334 2.941 0 50 BFAA C[C@H](Cc1ccccc1)NC(=O)C1CCC1 355266 HZJJJNWTUSNFFH-LLVKDONJSA-N 217.312 2.534 0 50 BFAA CCN(C(C)=O)C(=O)Nc1ccc(Cl)cc1 400465 RKSBZTLNZPUAQM-UHFFFAOYSA-N 240.690 2.740 0 50 BFAA CCOC(=O)Nc1nc2ccccc2s1 404893 VBEIBBOLUSEKTP-UHFFFAOYSA-N 222.269 2.865 0 50 BFAA CC(=O)[C@H](C(=O)Nc1ccc(C)cc1)C(C)C 432869 KAURRZCGULMSQK-CYBMUJFWSA-N 233.311 2.795 0 50 BFAA Fc1ccc2nc(C(F)(F)F)[nH]c2c1 2038549 ZZRMDPMUZKDLTO-UHFFFAOYSA-N 204.126 2.721 0 50 BFAA CNCCOc1ccc(-c2ccccc2)cc1 2844535 RWCLIYIRSQQWLX-UHFFFAOYSA-N 227.307 2.952 0 50 BFAA Cc1cc(C)c(C[C@@H]2CCCN2)cc1C 4234794 DQQGOSZXSJFDOS-AWEZNQCLSA-N 203.329 2.906 0 50 BFAA in-vitro O=C(O)c1ccccc1Nc1ccccn1 4798101 HYXJIQJGEMRZNA-UHFFFAOYSA-N 214.224 2.523 0 50 BFAA in-vitro Clc1nc2cc(Br)ccc2[nH]1 8730153 QVVZVWKGWGFUTA-UHFFFAOYSA-N 231.480 2.979 0 50 BFAA in-vitro Cc1cccc([C@H]2CC(=O)c3c(C)n[nH]c3C2)c1 8743635 GTGIEROGWVRKLT-GFCCVEGCSA-N 240.306 2.939 0 50 BFAA CC(C)CNCc1nc(-c2cccs2)no1 12382294 ANPZIBRIEKMEJJ-UHFFFAOYSA-N 237.328 2.544 0 50 BFAA CC(C)[C@H]1CC(=O)CCN1C(=O)OC(C)(C)C 16125324 GEHRUAIXGSWYPC-LLVKDONJSA-N 241.331 2.611 0 50 BFAA Oc1ccc2nc(Br)sc2c1 39122823 UYPYMYKTXNNPHA-UHFFFAOYSA-N 230.086 2.764 0 50 BFAA in-vitro Cc1ccccc1CC[C@H]1CCCNC1 41212151 JIKJTOIYQGHELA-CYBMUJFWSA-N 203.329 2.927 0 50 BFAA CN1CCO[C@]12CCCC[C@@H]2Oc1ccccc1 44125717 IHEOZRCZMDIADV-GJZGRUSLSA-N 247.338 2.666 0 50 BFAA N[C@@H](COc1ccc2ccccc2c1)C1CC1 69082830 QAPUFJGRVFLODG-HNNXBMFYSA-N 227.307 2.956 0 50 BFAA O=C(O)c1nc2ccc(Cl)cc2s1 82320516 FXZTXJYJMOJSBU-UHFFFAOYSA-N 213.645 2.648 0 50 BFAA CC(C)CCn1ccc(C(F)(F)F)n1 85020420 JWCMPBUFQYDICU-UHFFFAOYSA-N 206.211 2.948 0 50 BFAA COC(=O)c1c(C)cc(Br)cc1F 95642858 CGSQFHPDASRYOX-UHFFFAOYSA-N 247.063 2.683 0 50 BFAA Cc1cc(C(F)(F)F)sc1C(=O)O 149529393 RLRDEIOTJAPUGN-UHFFFAOYSA-N 210.176 2.774 0 50 BFAA Cc1ccc(O)c(CN2CCC[C@H](C)CC2)n1 156024158 FEEUVRYYURHPTM-NSHDSACASA-N 234.343 2.718 0 50 BFAA C[Si](C)(C)c1cccc([Si](C)(C)C)c1 169747061 RDDMOMIMRPHKSZ-UHFFFAOYSA-N 222.480 2.777 0 50 BFAA C[C@@H]1CN=C(N[C@H]2CCCC[C@H]2C)S1 238853320 JAFZMDNLUBMVJS-BBBLOLIVSA-N 212.362 2.646 0 50 BFAA CC1(C)C[C@@H]1C(=O)NCC1C(C)(C)C1(C)C 358310889 NQQXUURZYCILLE-SECBINFHSA-N 223.360 2.831 0 50 BFAA Cc1ccc2n[nH]cc2c1[C@@H]1CC[C@H](C)NC1 757209853 GNLDXNOCGPIQQV-WDEREUQCSA-N 229.327 2.727 0 50 BFAA Cc1csc2c(-c3cncc(O)c3)ncnc12 1236575765 XRVWGCJFTITZRH-UHFFFAOYSA-N 243.291 2.767 0 50 BFAA Cc1ccc(-c2nccnc2N(C)C)cc1F 1239819039 ZYTODKGIGXNWFU-UHFFFAOYSA-N 231.274 2.657 0 50 BFAA Cc1cc(C)n(C[C@@H](C)N(C)Cc2ccoc2)n1 1506431666 UNAODZYSJJTGAX-CYBMUJFWSA-N 247.342 2.613 0 50 BFAA Clc1cccc(Cl)c1[C@@H]1[N@@]2CCC[N@@]12 1857524625 MPYAFRMNCKUHHH-OJNYZHBWSA-N 229.110 2.928 0 50 BFAA O=C(NCc1cccs1)c1ccccc1 126538 XUHDXDZZNBMHCB-UHFFFAOYSA-N 217.293 2.678 0 50 BFAA Cc1ccc(C(=O)N[C@H](C)C(C)(C)C)o1 1052370 IXMLMBSRKCLDMR-SECBINFHSA-N 209.289 2.752 0 50 BFAA CC(C)CCn1c(=O)oc2ccccc21 1452885 SWHNTCCXRNPXNC-UHFFFAOYSA-N 205.257 2.641 0 50 BFAA NCCCCCCN1CCc2ccccc2C1 2029199 BOWQTBRKCAPHPB-UHFFFAOYSA-N 232.371 2.564 0 50 BFAA O=Cc1cncc(-c2ccc(F)cc2)c1 2389368 LGBCBWOHFSIXOW-UHFFFAOYSA-N 201.200 2.700 0 50 BFAA in-vitro O=C(O)C[C@H](c1ccsc1)n1cccc1 3883948 DUPNBMRWTIBTOA-SNVBAGLBSA-N 221.281 2.614 0 50 BFAA CC(C)C(=O)Nc1ccc(Cl)c(N)c1 8732387 UNKPJCLOEMVSHY-UHFFFAOYSA-N 212.680 2.517 0 50 BFAA in-vitro O=C(O)c1cncc(-c2cccc(F)c2)c1 12955787 JARUBMHXTMGGFA-UHFFFAOYSA-N 217.199 2.586 0 50 BFAA in-vitro CCc1ccc(C(=O)N2CCCCC2)s1 16580022 DWRAJIGRHAPOEY-UHFFFAOYSA-N 223.341 2.937 0 50 BFAA Cc1cccc(SC2CCNCC2)c1 19088587 YQBDIWRBPACVPJ-UHFFFAOYSA-N 207.342 2.839 0 50 BFAA in-vitro c1cc(CCSCCc2ccncc2)ccn1 22058218 HMVWDRBTNXIJIX-UHFFFAOYSA-N 244.363 2.995 0 50 BFAA in-vitro CCOC(=O)[C@@]1(C)C2=C(CCC2=O)CC[C@@H]1C 45071823 ILALNAMAFMHOCC-LKFCYVNXSA-N 236.311 2.645 0 50 BFAA Cc1cc(C)c(-c2[nH]ncc2C=O)cc1C 45796089 FGAXURHXKGKYMT-UHFFFAOYSA-N 214.268 2.814 0 50 BFAA Cc1nn(C)c(Cl)c1[C@@H](O)c1cccs1 71773288 RZHKWYBMOSTAQU-VIFPVBQESA-N 242.731 2.525 0 50 BFAA CC1=CC[C@@]2(CO)CCCCC[C@@]2(CO)C1 71786346 VBYQNWMISFKBFZ-KGLIPLIRSA-N 224.344 2.648 0 50 BFAA COc1cc(F)c(C)cc1Br 74937861 JHHKWHVDJFQNNG-UHFFFAOYSA-N 219.053 2.905 0 50 BFAA C[C@H]1Oc2ccccc2C[C@@H]1N1CCCCC1 95918237 UVTDDEOHIXVKQH-OCCSQVGLSA-N 231.339 2.865 0 50 BFAA Cc1ccc([C@@H]2C[C@H]2N)c(Br)c1 122520486 DZGGVHDTSLLCCJ-WCBMZHEXSA-N 226.117 2.572 0 50 BFAA Cc1cnc(COc2c(F)cccc2F)o1 133777048 QTYAYTKSARBVTI-UHFFFAOYSA-N 225.194 2.840 0 50 BFAA OCc1ccc2nc(Br)sc2c1 148710640 FMONXQUGLOZBOG-UHFFFAOYSA-N 244.113 2.551 0 50 BFAA CC[C@@H](N[C@H](C)c1nccn1C)c1ccncc1 183017805 MZEPRXJIEHYMPN-DGCLKSJQSA-N 244.342 2.617 0 50 BFAA COc1nccnc1-c1ccc2oc(C)nc2c1 200510321 BEPYFTYYCDGIOF-UHFFFAOYSA-N 241.250 2.602 0 50 BFAA CC[C@@H]1CCCN(c2ncnc3[nH]ccc23)C1 263736680 DNUVOHCPQONECV-SNVBAGLBSA-N 230.315 2.584 0 50 BFAA CC(C)(C)[C@H]1CCCN(C(=O)c2ncc[nH]2)CC1 668833632 IIYFCDOEZPHIJR-NSHDSACASA-N 249.358 2.698 0 50 BFAA Cc1nc(N(C)C[C@@H]2CCOC2)ccc1Cl 1506401801 NZMLADFOXDDFFN-JTQLQIEISA-N 240.734 2.516 0 50 BFAA CC(C)c1csc(-c2cc(N)ccn2)n1 1616034908 DOSKUIJORSZQOV-UHFFFAOYSA-N 219.313 2.911 0 50 BFAA Cc1ccc(/N=c2\sccn2C)c(C)c1 1237 YUAUPYJCVKNAEC-SEYXRHQNSA-N 218.325 2.936 0 50 BFAA Cc1ccc(OC(=O)c2cccnc2)cc1 154697 YBUBSLHHVFYHMV-UHFFFAOYSA-N 213.236 2.609 0 50 BFAA CC(C)[C@@H]1C[C@@H](c2csc(N)n2)CCO1 191456 JXYPLQDIDJLTJJ-WPRPVWTQSA-N 226.345 2.644 0 50 BFAA CCOC(=O)CCCC(=O)c1ccccc1 2165422 XBYIXIAOQPIYHO-UHFFFAOYSA-N 220.268 2.603 0 50 BFAA CC1(C)CN=C(NCc2ccccc2)S1 3103210 DOAPUBTYOUJCJN-UHFFFAOYSA-N 220.341 2.658 0 50 BFAA O=C(c1ccc(F)cc1Cl)N1CCCC1 3296623 BZNWSMROUGCRKN-UHFFFAOYSA-N 227.666 2.715 0 50 BFAA C[C@@H]1CN(C)[C@H](C)C[C@@H]1Nc1ccccc1 4004594 ULQYBPZNWILIFK-BZPMIXESSA-N 218.344 2.827 0 50 BFAA CCCC[P@](=O)(O)COc1ccccc1O 4006706 ZXNHUYJSOZGADW-UHFFFAOYSA-N 244.227 2.799 0 50 BFAA CCCC(=O)NC12CC3CC(CC(C3)C1)C2 5711326 RRYKBXANMSXVQC-UHFFFAOYSA-N 221.344 2.872 0 50 BFAA CCC(=O)N[C@H](C)c1ccc(C)cc1C 6699428 KWHYUZMRRBAYGH-LLVKDONJSA-N 205.301 2.891 0 50 BFAA Cc1nc(NC(=O)C(C)C)ccc1Cl 10119492 ZENCVTRYNUUSGP-UHFFFAOYSA-N 212.680 2.638 0 50 BFAA C[C@@H]1C[C@@H]1C(=O)NCc1ccc(Cl)cc1 12916158 BEYWKICFLRGLEB-KCJUWKMLSA-N 223.703 2.612 0 50 BFAA CC(=O)OC[C@@]12CC=C(C)[C@@H]([C@H](C)OC1)[C@@H]2C 13424795 KSCMOJQRHWGLDT-CDGCEXEKSA-N 238.327 2.557 0 50 BFAA biogenic CCN(CC)C(=O)n1ccc2ccccc21 38313176 DNEILLNCDATSFX-UHFFFAOYSA-N 216.284 2.951 0 50 BFAA O=Cc1ccc(-c2ccc(C=O)c(O)c2)cc1 65341777 KOBYWILPDWAYHS-UHFFFAOYSA-N 226.231 2.684 0 50 BFAA C[C@H]1CCCN1c1cc(Cl)nc(Cl)n1 86005574 YVFNTAQAKYNCJN-LURJTMIESA-N 232.114 2.772 0 50 BFAA CC(=O)Oc1cc(F)cc(Br)c1 114814095 SGUIVYFPXKKWBY-UHFFFAOYSA-N 233.036 2.514 0 50 BFAA in-vitro O=Cc1cc(Br)c(O)cc1Cl 141210038 XQIOQNKGTMLGGW-UHFFFAOYSA-N 235.464 2.621 0 50 BFAA COc1ccc(OC)c2c1[C@H]1[C@H]3[C@H]4C=C[C@H]4[C@@H]2[C@@H]13 247876605 HAIGLKKQMUZVAS-KITDTWEXSA-N 240.302 2.946 0 50 BFAA COCCCc1nc(-c2ccccn2)cs1 408514401 NNZQJLCWCQNCRQ-UHFFFAOYSA-N 234.324 2.784 0 50 BFAA Fc1cccc(CN2CC[C@H](c3ncc[nH]3)C2)c1 585115988 COVPFYBIVDWXOK-LBPRGKRZSA-N 245.301 2.538 0 50 BFAA CCc1ccc2cc(C(=O)N3CCC3)[nH]c2c1 2325721889 QIMCRHMFVHNSFV-UHFFFAOYSA-N 228.295 2.576 0 50 BFAA Cc1ncc(-c2c[nH]c3ncccc23)cc1N 2325822286 OIPBQZCLIUIFDE-UHFFFAOYSA-N 224.267 2.516 0 50 BFAA C[C@@H]1CN(C2CCCCC2)[C@H](C)CC1=O 241749 ZBMNTDYSMDSDGV-GHMZBOCLSA-N 209.333 2.619 0 50 BFAA CCC(=O)Nc1cccc(NC(=O)C(C)C)c1 313840 HKSYOVRNWCSMRE-UHFFFAOYSA-N 234.299 2.630 0 50 BFAA C[C@H]1CCCN(C(=O)Nc2ccccc2)C1 396443 RCHWQDWKFWXBOY-NSHDSACASA-N 218.300 2.950 0 50 BFAA CC(C)Sc1nc2sccn2c1C=O 938939 JHGLXTWLUWCGQI-UHFFFAOYSA-N 226.326 2.709 0 50 BFAA in-vitro COc1ccc(C)cc1I 2528199 OASGOCIPNQWXLR-UHFFFAOYSA-N 248.063 2.608 0 50 BFAA Nc1ccn(Cc2c(Cl)cccc2Cl)n1 2534297 CUAVHUBZJSMRCV-UHFFFAOYSA-N 242.109 2.820 0 50 BFAA in-vitro CC[C@@H](Oc1ccc(Cl)cc1)C(=O)O 2581488 CEJKAKCQVUWNNA-SECBINFHSA-N 214.648 2.582 0 50 BFAA in-vitro Cc1ccccc1OCCCNC[C@@H]1CCCO1 2947016 KIQJYJMBVNPISL-AWEZNQCLSA-N 249.354 2.533 0 50 BFAA C/C=C/c1ccc(OCCNCC)c(OC)c1 6703572 OTTQNGFEJKRLIW-GQCTYLIASA-N 235.327 2.717 0 50 BFAA CC(=O)c1c(C)nn(Cc2ccccc2)c1C 22015794 JPCBXDCAJZFPMF-UHFFFAOYSA-N 228.295 2.751 0 50 BFAA CC1=CC[C@H](S(=O)(=O)c2ccccc2)CC1 39247178 RXNYIRYFWXQRBR-ZDUSSCGKSA-N 236.336 2.959 0 50 BFAA C[C@H](COc1ccccc1)NC(=O)C(C)(C)C 55731346 OXKYHHQGGVMYEQ-LLVKDONJSA-N 235.327 2.616 0 50 BFAA C[C@]1(Cn2ccnc2-c2ccncc2)CCCO1 82156547 KOVCADIYXLAUDH-CQSZACIVSA-N 243.310 2.514 0 50 BFAA Clc1cc2cc[nH]c2c(Br)n1 89219600 CUNQVEHLVCJZBL-UHFFFAOYSA-N 231.480 2.979 0 50 BFAA O[C@]12Cc3ccccc3[C@@H]3[C@@H](c4ccccc41)[C@@H]32 101043450 CWPZWBPNJQBXLL-QBPKDAKJSA-N 234.298 2.941 0 50 BFAA O=C1CCc2cc(OC(F)(F)F)ccc21 115633000 DJGOAKVCWWDUHQ-UHFFFAOYSA-N 216.158 2.714 0 50 BFAA in-vitro C1=CC[C@@H](CNc2ccc3[nH]nnc3c2)CC1 120471617 RNLPQYLFWWIPAR-SNVBAGLBSA-N 228.299 2.726 0 50 BFAA NCCc1cc(F)cc(OCc2ccccc2)c1 159552148 QSTWGMDYDKOMRH-UHFFFAOYSA-N 245.297 2.906 0 50 BFAA Fc1ccc(O[C@@H]2CCOC2)c(Cl)c1 241897362 TYBUYZRCMIAFQM-MRVPVSSYSA-N 216.639 2.647 0 50 BFAA Cc1cccc(NC(=O)N[C@@H](C)C(C)(F)F)n1 334695606 FJEBAWSDTBGJDW-QMMMGPOBSA-N 243.257 2.555 0 50 BFAA Cc1[nH]c(=N)ccc1-c1cccc2ocnc12 1875340153 OBZRYCYIYYEHBJ-UHFFFAOYSA-N 225.251 2.611 0 50 BFAA CCOC(=O)c1cc2cc(N)ccc2s1 170453 CHFISKGSWVIUIX-UHFFFAOYSA-N 221.281 2.660 0 50 BFAA in-vitro Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3N 190430 KQJNWDCSROVGQM-LLVKDONJSA-N 200.285 2.812 0 50 BFAA Cc1nc2ccccc2n1C(=O)c1ccco1 292238 ZEQJLERROYRVNG-UHFFFAOYSA-N 226.235 2.626 0 50 BFAA c1ccc(Cc2nc(-c3ccncc3)no2)cc1 323945 MJCLWJJTZLPOSQ-UHFFFAOYSA-N 237.262 2.722 0 50 BFAA O=C(O)c1ccccc1-c1ccccc1/C=N/O 437742 KNHYITNFWPDHPS-OQLLNIDSSA-N 241.246 2.860 0 50 BFAA CC(C)=CCC/C(C)=C/COP(=O)(O)O 1532829 FFOWJDCTFSWUMJ-JXMROGBWSA-N 234.232 2.788 0 50 BFAA in-vitro CCCCN1C2=NCCCN2c2ccccc21 1834950 OXQMEYDDYYPHLX-UHFFFAOYSA-N 229.327 2.873 0 50 BFAA CCOC(=O)c1c(C)[nH]c2cccc(F)c12 2512987 FFLAUZJZZHRPQM-UHFFFAOYSA-N 221.231 2.792 0 50 BFAA in-vitro Cc1cc(C=O)c(C)n1-c1ccnn1C(C)C 3354133 UJAMKJGMBBLMMJ-UHFFFAOYSA-N 231.299 2.684 0 50 BFAA in-vitro O=C(O)[C@H](NCc1ccccc1)c1ccccc1 4381491 LCRCODPYSHSWAR-CQSZACIVSA-N 241.290 2.602 0 50 BFAA O=C(O)c1ccc(-c2ccccc2F)nc1 12955814 YJILCXGTKPCIMF-UHFFFAOYSA-N 217.199 2.586 0 50 BFAA CCc1nc(Cl)c(CC)nc1Cl 21987029 ZJCPOWPCEMWZHJ-UHFFFAOYSA-N 205.088 2.908 0 50 BFAA N[C@H]1CCSc2ccc(Br)cc21 35270269 BBIVYWYYBBNZIL-QMMMGPOBSA-N 244.157 2.945 0 50 BFAA CC(C)(C)C(=O)NCCc1ccc(F)cc1 40457424 AYTNRRZQSXHSAH-UHFFFAOYSA-N 223.291 2.531 0 50 BFAA CCCCNC(=O)[C@@H](C)Oc1ccc(F)cc1 44817867 PMFHLQCLILRIOO-SNVBAGLBSA-N 239.290 2.509 0 50 BFAA O=C(O)CNc1ccccc1-c1ccccc1 57332614 GVWWGDAUARXASN-UHFFFAOYSA-N 227.263 2.850 0 50 BFAA CCOc1ccc(Br)c(C=O)c1F 90411239 KUWHWJOCYQOYDD-UHFFFAOYSA-N 247.063 2.799 0 50 BFAA in-vitro Nc1ccc2cccnc2c1Br 143888305 VJBWCJJQLBJPOH-UHFFFAOYSA-N 223.073 2.580 0 50 BFAA COc1cc(NC2CCOCC2)ccc1Cl 193846638 QFROJYVFYSKEDS-UHFFFAOYSA-N 241.718 2.940 0 50 BFAA CO[C@@H]1CCC=CCCC=CCC[C@@H]1O 254566852 NZJRBFVCZFRVNJ-QWHCGFSZSA-N 210.317 2.829 0 50 BFAA Cc1nn(C(C)C)cc1-c1ccccc1CO 426503468 UVISEOSFECTVNQ-UHFFFAOYSA-N 230.311 2.932 0 50 BFAA CCc1c(-c2cccc(OC)c2OC)cnn1C 426547634 ORPYJUOTKCMFKT-UHFFFAOYSA-N 246.310 2.667 0 50 BFAA Cc1[nH]c2ncnc(N3CCC[C@H]3C)c2c1C 645181609 MHNOTEIHSAJHPI-MRVPVSSYSA-N 230.315 2.563 0 50 BFAA COc1ccccc1OC(=O)c1ccccc1 349 IZYQCDNLUPLXOO-UHFFFAOYSA-N 228.247 2.914 0 50 BFAA biogenic,in-vitro S=C(NCc1ccccc1)c1ccccn1 103331 XNNIQLMSLLNHOU-UHFFFAOYSA-N 228.320 2.547 0 50 BFAA Cc1ccc(S(=O)(=O)CC(C)(C)C)cc1 399394 DADNWSCRYXGOGY-UHFFFAOYSA-N 226.341 2.815 0 50 BFAA O=C(Nc1nccs1)NC1CCCCC1 401699 QJIPEUZRZQIFSN-UHFFFAOYSA-N 225.317 2.597 0 50 BFAA Cc1ccc(CC(=O)Nc2nc(C)cs2)cc1 463563 VVNSHGKSWQGQKC-UHFFFAOYSA-N 246.335 2.941 0 50 BFAA CCCc1ccc(OCCCC(=O)O)cc1 1787357 QWIOTFVIEZSCNR-UHFFFAOYSA-N 222.284 2.883 0 50 BFAA Oc1ccc(Cc2ccccc2)c(O)c1 1841334 QVFIWTNWKHFVEH-UHFFFAOYSA-N 200.237 2.689 0 50 BFAA Cc1cccnc1CNCc1ccccc1 6677763 FPYZKCNPEYNVAE-UHFFFAOYSA-N 212.296 2.680 0 50 BFAA in-vitro CCOC(=O)c1ccc2nc(C)sc2c1 8729880 XLUVVPRHNXGQJG-UHFFFAOYSA-N 221.281 2.781 0 50 BFAA C/C=C\c1cc(OC)c(OC)cc1OC 13424754 RKFAZBXYICVSKP-WAYWQWQTSA-N 208.257 2.746 0 50 BFAA biogenic,in-vitro NN1[C@@H](c2ccccc2)[C@@H]1c1ccccc1 19168552 GXDYVAZATOFPPQ-KBPBESRZSA-N 210.280 2.658 0 50 BFAA COc1cccc2c(Cl)nc(Cl)nc12 26894502 DZNPOCHJCGTGCP-UHFFFAOYSA-N 229.066 2.945 0 50 BFAA CC(C)(C)C(=O)Nc1nc(Cl)ccc1C=O 34349067 QTIICTFBNRXNRF-UHFFFAOYSA-N 240.690 2.532 0 50 BFAA in-vitro O=C(O)c1cc(F)cc(Cl)c1Cl 36532825 SLWTYJRNTBVPLO-UHFFFAOYSA-N 209.003 2.831 0 50 BFAA COC(=O)c1cccc(C(F)(F)F)c1OC 47202408 PODYYLOQNVZGFE-UHFFFAOYSA-N 234.173 2.501 0 50 BFAA COC(=O)c1cc2nccc(Cl)c2s1 95742813 WYMRMHKAXXQOMO-UHFFFAOYSA-N 227.672 2.736 0 50 BFAA CC(C)(C)OC(=O)N1CC[C@H](O)c2ccccc21 118227962 ZJCMDJROEALXPO-LBPRGKRZSA-N 249.310 2.865 0 50 BFAA Clc1ncnc2c3c(oc12)CCCC3 139357043 FBWZRSMQWFNMSI-UHFFFAOYSA-N 208.648 2.755 0 50 BFAA CC1=CCC[C@H](C)[C@@H]1CNc1cnn(C)c1 182594382 HZPKTZDXOAGULB-WCQYABFASA-N 219.332 2.824 0 50 BFAA COC1(CNC(=O)OC(C)(C)C)CCCCC1 186289997 HJGNGAKLFWSBBC-UHFFFAOYSA-N 243.347 2.860 0 50 BFAA Cc1cc(C(=O)N(C)[C@H](C)c2ccccc2)on1 195344853 XZQYOONIFQWNGX-LLVKDONJSA-N 244.294 2.816 0 50 BFAA CC(C)(C)OC(=O)N1CCCCC[C@]1(C)CO 258170659 GLEHTXHMBFXNPN-CYBMUJFWSA-N 243.347 2.549 0 50 BFAA O=C(O)C[C@@H](c1cccc(F)c1)C(F)F 258483178 NKGYAJUMBGKQGE-QMMMGPOBSA-N 218.174 2.649 0 50 BFAA COC(=O)Cc1cc(F)c(Cl)c(Cl)c1 263623588 IUDFFWFQDGWGPW-UHFFFAOYSA-N 237.057 2.848 0 50 BFAA Cc1cnc(N2CCCC3(CC3)C2)s1 302879444 HPTACXZXAICOBL-UHFFFAOYSA-N 208.330 2.832 0 50 BFAA Cc1cc(N2CCOc3ccccc3C2)ccn1 681378287 PONQHUBDPYUMLP-UHFFFAOYSA-N 240.306 2.789 0 50 BFAA C=CC(=O)Nc1ccc2c(cnn2C(C)C)c1 1353216971 YGLWAFVIRKCYDE-UHFFFAOYSA-N 229.283 2.742 0 50 BFAA COc1cc(-c2ccc(N)c(OC)c2)ccc1N 56395 JRBJSXQPQWSCCF-UHFFFAOYSA-N 244.294 2.535 0 50 BFAA biogenic,in-vitro COc1ccc(NC(=O)c2ccccc2)cc1 128498 KEEBHMMBUBEEOV-UHFFFAOYSA-N 227.263 2.948 0 50 BFAA biogenic,in-vitro Oc1ccc(Cc2ccccc2O)cc1 162390 LVLNPXCISNPHLE-UHFFFAOYSA-N 200.237 2.689 0 50 BFAA biogenic,in-vitro O=C(Oc1ccc(O)cc1)c1ccccc1 361759 JFAXJRJMFOACBO-UHFFFAOYSA-N 214.220 2.611 0 50 BFAA CCn1c2ccccc2c2nnc(SC)nc21 446142 QXGOURJBGWHFPH-UHFFFAOYSA-N 244.323 2.721 0 50 BFAA Cc1ccccc1CNC(=O)c1ccccc1N 1078443 XHBFBMXITVTRGL-UHFFFAOYSA-N 240.306 2.507 0 50 BFAA aggregator Cc1ccc(-c2nc3ccccn3c2CN)cc1 2510965 LAWYYMGWWHLTSZ-UHFFFAOYSA-N 237.306 2.768 0 50 BFAA O=Cc1ccc(COc2ccccc2)o1 2578475 UEFQGYJMYZTWIJ-UHFFFAOYSA-N 202.209 2.671 0 50 BFAA Nc1ccccc1-c1nc(-c2ccccc2)no1 4710110 BEKMTRPOJAKFPZ-UHFFFAOYSA-N 237.262 2.986 0 50 BFAA Cc1cc(OCCN(C)C)ccc1Cl 4906614 DOIVBEGLEZFJRU-UHFFFAOYSA-N 213.708 2.589 0 50 BFAA CC1(C)Oc2ccc(Br)cc2O1 16605467 DBVCFVNYPVLZKX-UHFFFAOYSA-N 229.073 2.956 0 50 BFAA in-vitro O=S1(=O)CC23CCCCC2(CCCC3)C1 43214658 DZOPBPHUVJRIEY-UHFFFAOYSA-N 228.357 2.536 0 50 BFAA Cn1c2ccccc2c2sccc(=O)c21 59944108 UOIDSPQWWZJAPH-UHFFFAOYSA-N 215.277 2.753 0 50 BFAA O=C(O)c1cc(F)cc(-c2ccc(O)cc2)c1 65340064 AHDOCVLIQKICRL-UHFFFAOYSA-N 232.210 2.897 0 50 BFAA in-vitro Cc1cc(Cl)ccc1C(=O)[C@H]1CCCNC1 67908168 ULJWAHUZHQZEOY-JTQLQIEISA-N 237.730 2.831 0 50 BFAA CCCSc1nc(Cl)c(N)c(Cl)n1 71186810 CJJLJBFJNXMANZ-UHFFFAOYSA-N 238.143 2.868 0 50 BFAA c1cc2c(c(-c3ccc4nc[nH]c4c3)c1)CCNC2 71757257 HSVIBHJTUVUMEE-UHFFFAOYSA-N 249.317 2.876 0 50 BFAA C[C@@H]1CCCN1c1cc(Cl)nc(Cl)n1 86005572 YVFNTAQAKYNCJN-ZCFIWIBFSA-N 232.114 2.772 0 50 BFAA Cc1ccnc(NC(=O)CC[C@@H]2CCCCO2)c1 110178104 PFSIBQUUIUWWQX-LBPRGKRZSA-N 248.326 2.678 0 50 BFAA C=CC(=O)N1CCc2ccccc2[C@H]1CC 213258351 BDELVASBGBPBII-CYBMUJFWSA-N 215.296 2.708 0 50 BFAA Cc1n[nH]c(NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c1C 252962353 OWXWNIKWETUFIV-SDDRHHMPSA-N 247.342 2.791 0 50 BFAA Fc1nc(OCC2CC2)ccc1Cl 261494294 UKZFYXYSWNEJFW-UHFFFAOYSA-N 201.628 2.663 0 50 BFAA Fc1cccc2ncnc(N3C[C@H]4CC[C@H]3C4)c12 299085354 SDMQLXUYSFMPKY-UWVGGRQHSA-N 243.285 2.758 0 50 BFAA COc1ccc(CNC(=O)[C@@H]2CCC2(C)C)cc1 665124624 AJHAIQFDFNPSDE-ZDUSSCGKSA-N 247.338 2.748 0 50 BFAA CC(C)C[C@@H](N)C1(O)CCCCCCC1 958528514 PLTAIAJHJBWBDJ-GFCCVEGCSA-N 213.365 2.835 0 50 BFAA CCOCCCC(=O)Nc1cnoc1C(C)C 1119555279 IHEAQQMSTKKVFN-UHFFFAOYSA-N 240.303 2.553 0 50 BFAA C=CC(=O)Nc1ccccc1N(C)CCC 1356520350 KFBXMEYQJWGOPQ-UHFFFAOYSA-N 218.300 2.657 0 50 BFAA Cc1ncc(CN[C@@H](C)c2ccncc2C)o1 1875284940 WMMLYOWECPOREU-JTQLQIEISA-N 231.299 2.537 0 50 BFAA CCOc1cccc(C(=O)Nc2cccnc2)c1 298351 HDGNEWOZIATKFS-UHFFFAOYSA-N 242.278 2.733 0 50 BFAA CC(C)NC(=O)CCSc1ccccc1 444229 DPPKXDYOKMQYRD-UHFFFAOYSA-N 223.341 2.693 0 50 BFAA OCc1cccc(-c2cccc(F)c2)c1 1256576 CLSHQMJYOAPMAB-UHFFFAOYSA-N 202.228 2.985 0 50 BFAA in-vitro O=C(O)/C=C/c1cccc(C(F)(F)F)c1F 2560185 COMXMQQELIPMID-SNAWJCMRSA-N 234.148 2.942 0 50 BFAA in-vitro OC1CCN(c2ccc(C(F)(F)F)cc2)CC1 2563768 KKEZLXOOIIFZGD-UHFFFAOYSA-N 245.244 2.667 0 50 BFAA Clc1ccc2[nH]c(C[C@@H]3CCCNC3)nc2c1 14001472 MMOIJSZYUPRGBN-VIFPVBQESA-N 249.745 2.758 0 50 BFAA CC[C@H](C)NC(=O)[C@H](C)Oc1cccc(C)c1 14397120 XJWYOJRJIJAQQF-RYUDHWBXSA-N 235.327 2.677 0 50 BFAA Cc1cc(OCCN)c(Cl)c(C)c1Cl 30834314 WWECHMKTYSXTEX-UHFFFAOYSA-N 234.126 2.948 0 50 BFAA c1cncc([C@@H]2CCC3CCN2CC3)c1 34278843 WIEWCOLOPGXZDJ-ZDUSSCGKSA-N 202.301 2.629 0 50 BFAA investigational C[C@@]1(N)CCc2cc(Br)ccc21 95803722 VASQMCKCNNFDKI-SNVBAGLBSA-N 226.117 2.569 0 50 BFAA in-vitro O=C1CC(=O)CC(c2ccc(Cl)cc2)C1 100014341 MAFYKXZPGMHTIA-UHFFFAOYSA-N 222.671 2.746 0 50 BFAA in-vitro Cc1ccoc1CNc1nc(C(C)C)no1 134444043 ZWWWNISJTFIAQX-UHFFFAOYSA-N 221.260 2.707 0 50 BFAA CCOC[C@H](C)Nc1ccc(Cl)nc1C 193481085 KXCUDYFYIHXIGK-QMMMGPOBSA-N 228.723 2.880 0 50 BFAA Brc1ccc([C@@H]2CCO2)cc1 220703507 IGDUEYOZOWQMLC-VIFPVBQESA-N 213.074 2.911 0 50 BFAA Cc1ccccc1CCCN1CC[C@H](O)C[C@H]1C 225414425 HIJOKDZJPFJFAH-ZBFHGGJFSA-N 247.382 2.773 0 50 BFAA CC[C@@H](c1ccccc1)[C@H]1CCCN1CC(=O)O 237030225 LSXKWPWKWQZJNU-UONOGXRCSA-N 247.338 2.729 0 50 BFAA O=C(Nc1ccc(NC2CCCC2)nc1)C1CC1 243610273 OXXDYGJFSFYXGQ-UHFFFAOYSA-N 245.326 2.785 0 50 BFAA N[C@H](c1c[nH]c2cccc(F)c12)C(F)(F)F 328599179 QHZNQJFIAMWCQX-SECBINFHSA-N 232.180 2.869 0 50 BFAA CC1(c2csc(-c3cc[nH]n3)n2)CC1 336468507 DDFQCDBALFFBPJ-UHFFFAOYSA-N 205.286 2.585 0 50 BFAA C[C@@H]1CCCCCN1C(=O)[C@H]1C[C@H]2C=C[C@H]1C2 357807423 ZJDFKKKYQKISNU-RFGFWPKPSA-N 233.355 2.990 0 50 BFAA Cc1cnccc1-c1ccc2c(c1)CC[C@@H](N)C2 935619280 VENGEAMMRZWFLE-OAHLLOKOSA-N 238.334 2.873 0 50 BFAA CN(C(=O)c1ccccc1)c1ccccc1 29212 LCOPCEDFGGUYRD-UHFFFAOYSA-N 211.264 2.963 0 50 BFAA c1ccc2c(c1)COC(CN1CCCCC1)OC2 196889 VRQWLIGTBWLJSB-UHFFFAOYSA-N 247.338 2.545 0 50 BFAA CC(=O)CC(=O)Nc1ccc(C(C)C)cc1 561086 IGGMEQJQILNDHO-UHFFFAOYSA-N 219.284 2.728 0 50 BFAA in-vitro CCCOc1cccc(-c2nnc(N)s2)c1 2305830 KIYCJASHWBQCPR-UHFFFAOYSA-N 235.312 2.576 0 50 BFAA CCC(=O)Nc1ccc2nc(C)sc2c1 4867979 ZGAMJVBNVJWYDG-UHFFFAOYSA-N 220.297 2.953 0 50 BFAA CCN(CC)CCOc1ccc2c(c1)CCC2 4868459 OUFYRFGYFHKDJM-UHFFFAOYSA-N 233.355 2.896 0 50 BFAA CC[C@@H](C)NC(=O)[C@@H](C)Oc1ccccc1C 6596326 QWDQTEBIJCAEFC-VXGBXAGGSA-N 235.327 2.677 0 50 BFAA CCc1ccc(C[C@@H]2CCCNC2)cc1 11630893 YAEHFYBHWGPWTH-AWEZNQCLSA-N 203.329 2.791 0 50 BFAA in-vitro COc1cc(C=O)ccc1OCC=C(C)C 19094398 GELQTZLDJBOCEO-UHFFFAOYSA-N 220.268 2.853 0 50 BFAA in-vitro O=C(O)c1ccnc(-c2cccs2)c1 20357749 FTGBWVKLXLHQPK-UHFFFAOYSA-N 205.238 2.508 0 50 BFAA O[C@H]1CCc2cc(C(F)(F)F)ccc21 21300517 FLQUVMBVTFSJRY-VIFPVBQESA-N 202.175 2.685 0 50 BFAA Cc1cc(Br)nc2cc[nH]c12 43220706 RZVIOZJDLBJJAZ-UHFFFAOYSA-N 211.062 2.634 0 50 BFAA CC(C)(C#N)c1ccc(Br)nc1 59691142 KUNYVCVRARYXOL-UHFFFAOYSA-N 225.089 2.645 0 50 BFAA CC(=O)c1ncc(Cl)cc1Br 91692951 KMNWYNVTWPFJNR-UHFFFAOYSA-N 234.480 2.700 0 50 BFAA in-vitro CN(CCC(=O)O)Cc1csc2ccccc12 113458941 AUEZAYPIZPSNIS-UHFFFAOYSA-N 249.335 2.808 0 50 BFAA O=C(O)[C@H](Br)CC1CCCCC1 138214430 ZNLYQQHXHRSBBY-MRVPVSSYSA-N 235.121 2.805 0 50 BFAA Cc1nocc1NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 585126682 FTLQDANHMYNJQW-DCAQKATOSA-N 234.299 2.748 0 50 BFAA O=C(O)[C@H](Cc1ccc(O)cc1)c1ccccc1 226960 GRCCNKUXWQWOKS-CQSZACIVSA-N 242.274 2.803 0 50 BFAA in-vitro COc1ccc(/C=C/C(=O)N2CCCCC2)cc1 235071 ICMXQLGIFUXUMR-JXMROGBWSA-N 245.322 2.721 0 50 BFAA biogenic Cc1ccc(CNCc2cccnc2)cc1 359779 NCFWHXTURHVAOO-UHFFFAOYSA-N 212.296 2.680 0 50 BFAA Cc1cc(C)n(C(=O)Nc2ccccc2)n1 390891 WAUWYZFXZGQUNJ-UHFFFAOYSA-N 215.256 2.580 0 50 BFAA Clc1ccccc1OCCn1ccnc1 433334 QDDVZLYUUMSBEC-UHFFFAOYSA-N 222.675 2.616 0 50 BFAA Nc1ccccc1C(=O)OCCc1ccccc1 1693901 PXWNBAGCFUDYBE-UHFFFAOYSA-N 241.290 2.668 0 50 BFAA endogenous,in-man COC(=O)c1cc2c(OC)ccc(Cl)c2[nH]1 2534080 OKAPNIURSGGVGK-UHFFFAOYSA-N 239.658 2.617 0 50 BFAA O=C(O)c1cc2c(F)cc(Cl)cc2[nH]1 3748713 WXQBCNRBBDRVJD-UHFFFAOYSA-N 213.595 2.659 0 50 BFAA in-vitro Cc1cc(N2CCNC2=O)ccc1C(C)C 4110376 LHAPXGBYQLLWJZ-UHFFFAOYSA-N 218.300 2.648 0 50 BFAA CN(C)C(=S)Nc1ccc(Cl)cc1 5599619 FWGDAHLBEXSAPT-UHFFFAOYSA-N 214.721 2.598 0 50 BFAA Clc1cccc2[nH]nc(Br)c12 12336539 KQVVWXSIPZGIAN-UHFFFAOYSA-N 231.480 2.979 0 50 BFAA CC(C)(C)OC(=O)Nc1ccc(O)c(F)c1 82878345 OBQLFQPJLCJDAX-UHFFFAOYSA-N 227.235 2.878 0 50 BFAA O=C(O)c1csc([C@@H]2Cc3ccccc3O2)n1 126117288 NVEHYWYZSSAQOQ-JTQLQIEISA-N 247.275 2.518 0 50 BFAA FC(F)(F)c1cccc([C@]2(F)CCNC2)c1 163343651 RCVAYEMTTGYFMP-JTQLQIEISA-N 233.208 2.864 0 50 BFAA COC(=O)c1ccccc1SCC(F)F 171880387 WVYIZMWXNASJQZ-UHFFFAOYSA-N 232.251 2.830 0 50 BFAA Nc1nccc2sc(Br)cc12 212208699 IZZAWBNXIJZNNA-UHFFFAOYSA-N 229.102 2.641 0 50 BFAA in-vitro COCCOc1cc(C)nc2ccccc12 225407461 MRFGTLQKFNIIDV-UHFFFAOYSA-N 217.268 2.568 0 50 BFAA C[C@H]1CN(Cc2cccnc2)CCC1(F)F 289765759 LAFPVXIKNUIJFP-JTQLQIEISA-N 226.270 2.559 0 50 BFAA O=C(Nc1nccs1)[C@@H]1CCC[C@H](F)C1 335106669 BTXIJIZEWXAKDT-SFYZADRCSA-N 228.292 2.610 0 50 BFAA CC(C)(C)CCN1CCO[C@@H](C2CC2)C1 368886409 CISSAYRZLNPEOL-GFCCVEGCSA-N 211.349 2.533 0 50 BFAA CCC[C@H]1CCC(=O)C[C@@H]1N1CCCC1 725358731 BKHHVFCBEGRXQA-AAEUAGOBSA-N 209.333 2.620 0 50 BFAA Cc1nc(C)c(C(=O)NCc2ccccc2)s1 68913 FXFUXZVNPRJEHK-UHFFFAOYSA-N 246.335 2.690 0 50 BFAA S=C(NCc1ccccc1)Nc1nccs1 80959 PDHMEDMWKUZUAB-UHFFFAOYSA-N 249.364 2.630 0 50 BFAA in-vivo Nc1nnc(SCc2ccc(F)cc2)s1 129160 OPAKWVMMTCNRJQ-UHFFFAOYSA-N 241.316 2.552 0 50 BFAA Cn1c(-c2ccccn2)nc2ccccc21 302073 NVWRQUXLFNJECF-UHFFFAOYSA-N 209.252 2.635 0 50 BFAA CC(C)(C)CC(=O)NCc1ccc(F)cc1 311268 YYONDZPKHGEGSY-UHFFFAOYSA-N 223.291 2.878 0 50 BFAA Cc1ccccc1O[C@H](C)C(=O)NC1CCCC1 1067028 JQJQITAXSYCQJD-GFCCVEGCSA-N 247.338 2.821 0 50 BFAA CC(C)NC[C@H](O)Cc1cccc2ccccc12 2015403 UPWFAGQZEUYCAX-OAHLLOKOSA-N 243.350 2.741 0 50 BFAA Cc1nc2c(C)cccc2cc1C(=O)O 3055710 KSHMZYLTYHXCHB-UHFFFAOYSA-N 201.225 2.550 0 50 BFAA in-vitro O=C1CCCN1CC12CC3CC(CC(C3)C1)C2 4342835 WKGFLDXBABFMNH-UHFFFAOYSA-N 233.355 2.825 0 50 BFAA Fc1ccccc1Cn1nnc2ccccc21 4487637 XKZKINMEZTYWQV-UHFFFAOYSA-N 227.242 2.619 0 50 BFAA CCN(CC)CCOc1ccccc1F 4989743 IIBLYQSJDVKYFP-UHFFFAOYSA-N 211.280 2.546 0 50 BFAA CCCc1nc(-c2ccc(C)cc2)no1 5597744 AKMOYSDZOWQHDU-UHFFFAOYSA-N 202.257 2.998 0 50 BFAA in-vitro FC(F)(F)c1cncc(Br)c1 8700996 HEDHNDVPKRVQPN-UHFFFAOYSA-N 225.995 2.863 0 50 BFAA in-vitro Cc1n[nH]c2c1C(=O)C[C@@H](c1cccs1)C2 8740825 JWLUFIXLPXZMMJ-QMMMGPOBSA-N 232.308 2.692 0 50 BFAA Brc1cn[nH]c1-c1ccccc1 31990398 ZJFUSLGMGSYTRY-UHFFFAOYSA-N 223.073 2.839 0 50 BFAA in-vitro O=Cc1cc(C(F)(F)F)cnc1Cl 65337498 DSJPRZOKABVBLR-UHFFFAOYSA-N 209.554 2.566 0 50 BFAA Oc1cccc2nc(Br)sc12 216073442 KRLIQZYTQKATIR-UHFFFAOYSA-N 230.086 2.764 0 50 BFAA Cc1cnc(CNc2cc(C(C)C)ncn2)o1 226805135 WIKYAKLKTVUNTI-UHFFFAOYSA-N 232.287 2.509 0 50 BFAA C(=C/c1ccnn1CC1CC1)\c1nccs1 585136082 PGJVDHNSSPXOGA-ONEGZZNKSA-N 231.324 2.920 0 50 BFAA Nc1ccc(-c2nccc3ncccc23)cc1 1241537702 HRLKGDFOXLOLEX-UHFFFAOYSA-N 221.263 2.879 0 50 BFAA C[N@]1[C@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 1857524917 NNCVFQYJJLNXGD-ZOBUZTSGSA-N 237.302 2.925 0 50 BFAA C=CC(=O)Nc1ccccc1[C@H]1CC1(F)F 1875367936 BFLNYJBTUHYUEM-SECBINFHSA-N 223.222 2.934 0 50 BFAA COc1ccc(C=O)cc1OC1CCCC1 164890 FZFWPURYSWKIRT-UHFFFAOYSA-N 220.268 2.829 0 50 BFAA in-vitro CC1(C)OC(c2cccc(N)c2)OC1(C)C 269461 LHQLVZPDWVBYBZ-UHFFFAOYSA-N 221.300 2.871 0 50 BFAA in-vitro COC(=O)c1cc(Br)ccc1Cl 372459 DOVGGQQIXPPXDC-UHFFFAOYSA-N 249.491 2.889 0 50 BFAA in-vitro Cc1cccc(C)c1NC(=O)c1cnn(C)c1C 1002177 TWUAXQYSHDVOIZ-UHFFFAOYSA-N 243.310 2.598 0 50 BFAA O=C(N[C@@H]1CCSc2ccccc21)C1CC1 8848254 PQBMKXHXYUHGQP-LLVKDONJSA-N 233.336 2.750 0 50 BFAA CN(C)CCN(C)Cc1cccc2ccccc12 19606610 SDXDZGPNMBEGLS-UHFFFAOYSA-N 242.366 2.833 0 50 BFAA COC(=O)c1ccc(Cl)c2[nH]ccc12 26893186 YMAVXLSGYDNOML-UHFFFAOYSA-N 209.632 2.608 0 50 BFAA in-vitro OCCc1ccc(-c2noc(C3CCC3)n2)cc1 32519446 RSGSVVPPMHUKNH-UHFFFAOYSA-N 244.294 2.539 0 50 BFAA O=Cc1c(Br)cc(F)c(F)c1F 33975855 BXXUAIPEOHAIKN-UHFFFAOYSA-N 238.990 2.679 0 50 BFAA CC[C@@H](C(=O)c1ccccc1)N1CCCC1 37332156 GSESDIFGJCCBHN-ZDUSSCGKSA-N 217.312 2.744 0 50 BFAA in-vitro CC(C)(C)OC(=O)N1C(=O)CCc2ccccc21 38998979 FSFHCEVCPJYOCO-UHFFFAOYSA-N 247.294 2.901 0 50 BFAA in-vitro CCCCN(Cc1ncc[nH]1)Cc1ccco1 55326697 TYUIBZSBDLPHRJ-UHFFFAOYSA-N 233.315 2.805 0 50 BFAA CNc1nc(C)cc(-c2cc(F)ccc2OC)n1 94729314 YKUYRVBHNXSZJL-UHFFFAOYSA-N 247.273 2.641 0 50 BFAA C[C@@H](N)c1ncc(C(F)(F)F)cc1Cl 95628663 HXYCLYBAZZEUFG-SCSAIBSYSA-N 224.613 2.774 0 50 BFAA COC(=O)c1cccc(Br)c1Cl 95930478 OWPJVOSLLKRKQJ-UHFFFAOYSA-N 249.491 2.889 0 50 BFAA CCCCN(C)C[C@@H]1COc2ccccc2C1=O 96027106 NTIKCIBHRSYZBE-GFCCVEGCSA-N 247.338 2.610 0 50 BFAA CCCC(=O)[C@H]1C[C@H](C(C)C)CCC1=O 109253557 YUGLCPNBZCECTO-GHMZBOCLSA-N 210.317 2.997 0 50 BFAA C[C@@H](NCCN)c1cccc(Cl)c1Cl 235193911 GXADVKKFZVKWOC-SSDOTTSWSA-N 233.142 2.603 0 50 BFAA C[C@@H]1C[C@@H]1C(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 248535669 YREDYQSOQHLZGZ-BSKUUZOQSA-N 221.344 2.583 0 50 BFAA c1cncc(CN2CC[C@H]3CCCC[C@H]32)c1 281216252 KCNXZXBGQRGTIM-ZIAGYGMSSA-N 216.328 2.846 0 50 BFAA Clc1cnn([C@@H]2CCN(C3CCCC3)C2)c1 290095124 ZVOZHLPXGJXWLA-GFCCVEGCSA-N 239.750 2.726 0 50 BFAA CC(=O)c1sc(NC(=O)C=C(C)C)nc1C 148989 CETPNMCFHWLATP-UHFFFAOYSA-N 238.312 2.559 0 50 BFAA Fc1ccc(-c2nc(-c3ccncc3)no2)cc1 238239 JDDICPYQLDWSMT-UHFFFAOYSA-N 241.225 2.938 0 50 BFAA CCN(CC)c1ccc(NC(=O)C2CC2)cc1 383641 LHOFATONJDLVRM-UHFFFAOYSA-N 232.327 2.881 0 50 BFAA CC[C@H](C)c1ccccc1OC(=O)NC 2038417 DIRFUJHNVNOBMY-VIFPVBQESA-N 207.273 2.918 0 50 BFAA biogenic,in-vitro Fc1ccc2c(C3CCNCC3)c[nH]c2c1 2526990 VNEIHOLJEZRVCL-UHFFFAOYSA-N 218.275 2.774 0 50 BFAA in-vitro Cc1cc(Cl)c2cc(C(=O)O)ccc2n1 4838512 YKQYAXKYJOSBQH-UHFFFAOYSA-N 221.643 2.895 0 50 BFAA C[C@H]1CCCN(CCOc2ccc(C=O)cc2)C1 4870138 ZGJHHXNWPXGFIY-ZDUSSCGKSA-N 247.338 2.610 0 50 BFAA Cc1cc(C)c2c(CC(=O)O)coc2c1C 8028757 CUFRNCSINASUIQ-UHFFFAOYSA-N 218.252 2.985 0 50 BFAA in-vitro Cc1sc(-c2ccccc2)nc1C(=O)O 11766520 SDQFOJCLVJKFPG-UHFFFAOYSA-N 219.265 2.817 0 50 BFAA in-vitro OCc1csc(-c2cccc(Cl)c2)n1 12370329 YTNKAEKSQBOUNF-UHFFFAOYSA-N 225.700 2.956 0 50 BFAA in-vitro Nc1cnc2ccc(Br)cc2c1 32099249 SOWMKOLYWFAUPP-UHFFFAOYSA-N 223.073 2.580 0 50 BFAA in-vitro CCOC(=O)C(=O)c1ccc(CC(C)C)cc1 39250267 RGTQFTQRZLENJN-UHFFFAOYSA-N 234.295 2.631 0 50 BFAA CC(C)Oc1cc(Br)ccn1 44118400 DGDIOQCZNZMIPA-UHFFFAOYSA-N 216.078 2.631 0 50 BFAA in-vitro Cc1cc(C2CCC2)nc(NC[C@H]2CCOC2)n1 71762170 VNOMDPNAKNHNNM-LLVKDONJSA-N 247.342 2.501 0 50 BFAA O=c1c2ccccc2sn1C[C@@H]1CCCCO1 95385543 LGUUAXKCOSSBFN-JTQLQIEISA-N 249.335 2.632 0 50 BFAA CCOC(=O)Cc1ccc(OC(F)(F)F)cc1 95634604 BRGSHFKABBJCGX-UHFFFAOYSA-N 248.200 2.691 0 50 BFAA in-vitro Cc1ccsc1[C@@H](C)N[C@@H]1C=C[C@H](CO)C1 134809869 RWRHTTRJIPHYRR-GRYCIOLGSA-N 237.368 2.644 0 50 BFAA Fc1ccc(-c2cnc3ccnn3c2)cc1 144963886 QATNPTKCVXWGFB-UHFFFAOYSA-N 213.215 2.535 0 50 BFAA C/C=C(\C)C(=O)Nc1ccc(/C=C/C(=O)O)cc1 221725322 PKAIIEPLCMILGL-YLXWRPMNSA-N 245.278 2.689 0 50 BFAA CCN1C[C@H](C)N(C[C@@H]2CC=CCC2)[C@H](C)C1 585116588 BTULWZHAIYVMCM-QLFBSQMISA-N 236.403 2.757 0 50 BFAA CC1(C)[C@H]2CCCC[C@H]2[C@@H]1NCc1cc[nH]n1 863983664 LUJXWTFWXUNWIH-AGIUHOORSA-N 233.359 2.714 0 50 BFAA c1cncc(-c2nccn2C[C@@H]2CCCCO2)c1 1875249504 XNWCBDQCLQEACD-ZDUSSCGKSA-N 243.310 2.514 0 50 BFAA CC(=O)n1nc(C)cc1-c1ccccc1 50308 YMGYDFXWAWWFFU-UHFFFAOYSA-N 200.241 2.519 0 50 BFAA COC[C@H](C)NCc1cccc2ccccc12 182851 PKIUGZHCULIPDQ-LBPRGKRZSA-N 229.323 2.964 0 50 BFAA C[C@@H]1CCC[C@H](NCC(C)(C)CN(C)C)C1 280105 FXQSOXZVJSHFRS-OLZOCXBDSA-N 226.408 2.743 0 50 BFAA Clc1nc(Cl)nc(Nc2ccccc2)n1 347810 SACFASUHQGNXOD-UHFFFAOYSA-N 241.081 2.922 0 50 BFAA biogenic,in-vitro CC1(O)c2ccccc2C(C)(O)c2ccccc21 399926 VAJFPXIGVWUIHR-UHFFFAOYSA-N 240.302 2.512 0 50 BFAA CC(C)CNC(=O)CSc1ccccc1 443818 UPLQNKCYNLRKAT-UHFFFAOYSA-N 223.341 2.551 0 50 BFAA CCN(CC)CCOc1ccccc1C 1646582 ISAROBGGCCJPID-UHFFFAOYSA-N 207.317 2.716 0 50 BFAA Cc1ccc(OC(=O)c2ccccc2O)cc1 1690598 AMYKXJAXRJCLCV-UHFFFAOYSA-N 228.247 2.920 0 50 BFAA biogenic NC(=S)NC(c1ccccc1)c1ccccc1 1708765 ORTDRGIAWHXESM-UHFFFAOYSA-N 242.347 2.609 0 50 BFAA in-vitro CCC1CCC(NCCCn2ccnc2)CC1 2497388 GEQNCPMUWRUNHY-UHFFFAOYSA-N 235.375 2.832 0 50 BFAA NCCc1ccccc1Oc1ccccc1 2574346 OZUNHSMQAVTNLW-UHFFFAOYSA-N 213.280 2.980 0 50 BFAA in-vitro CC(C)CCNC(=O)/C=C/c1ccccc1 2755356 JEHRUVQTVGDTTB-CMDGGOBGSA-N 217.312 2.862 0 50 BFAA CCn1c(C)nc2c(Cl)c(O)ccc21 5061125 SUTDFGUDLKVEDS-UHFFFAOYSA-N 210.664 2.724 0 50 BFAA COC(=O)N[C@@H](C)c1ccc(C)cc1C 6699207 ICOKXSITCOTQLM-JTQLQIEISA-N 207.273 2.720 0 50 BFAA CC(C)Oc1ccccc1OC1CCNCC1 12359864 SZKHIYBVZBJFHT-UHFFFAOYSA-N 235.327 2.605 0 50 BFAA COc1cccc([C@H]2CCCC[C@@H]2O)c1OC 12371646 XJDQMUVUAKSPLF-PWSUYJOCSA-N 236.311 2.722 0 50 BFAA C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2F)C1 12410435 ISFAADVEKICCHK-PHIMTYICSA-N 235.302 2.944 0 50 BFAA COC(=O)c1ncoc1-c1ccccc1Cl 16124280 OPVGROBAFGODPL-UHFFFAOYSA-N 237.642 2.782 0 50 BFAA in-vitro C[C@@H]1CCCN(c2cc(N)c(N)cc2Cl)C1 16606309 JYLFDWIRLWPHAD-MRVPVSSYSA-N 239.750 2.741 0 50 BFAA Cc1ccc(O)c(F)c1Br 261494111 QDYVLIDJJDWKEP-UHFFFAOYSA-N 205.026 2.602 0 50 BFAA CC[S@@](=N)(=O)c1ccc(Br)cc1 261509005 YZMQJOMQKHVCPJ-GFCCVEGCSA-N 248.145 2.875 0 50 BFAA Cn1ccc(CN2CCC[C@@H]2c2cccnc2)c1 335149167 JABSYWFCDVTOCE-OAHLLOKOSA-N 241.338 2.757 0 50 BFAA Cc1ccc(NC(=O)N2CC[C@@H](C3CC3)C2)cn1 677869276 WKJHIHHGUVGPRK-GFCCVEGCSA-N 245.326 2.654 0 50 BFAA O=C(O)c1cc2nc(Cl)nc(Cl)c2s1 694946818 QIKFVOUFAKBLRZ-UHFFFAOYSA-N 249.078 2.696 0 50 BFAA Cc1ccc2n[nH]cc2c1[C@@H]1CCNC[C@H]1C 757213243 POGMBJFZNNTQGQ-GHMZBOCLSA-N 229.327 2.584 0 50 BFAA Cc1cc(O)nc2ccc(NC(=O)C3CC3)cc12 898939956 DMKRNRMCSJAZKW-UHFFFAOYSA-N 242.278 2.597 0 50 BFAA O=C(O)[C@H](c1ccccc1)[C@@H](O)c1ccccc1 343614 SHLDFCNQGMQVSJ-KGLIPLIRSA-N 242.274 2.588 0 50 BFAA CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 378692 QSKRRXSLYFMQSJ-NSHDSACASA-N 244.250 2.570 0 50 BFAA COc1ccc2c3ccn(C)c(C)c-3nc2c1 394490 SNPOLGTUMADPOR-UHFFFAOYSA-N 226.279 2.995 0 50 BFAA in-vitro CC(C)(C)NC1=CC(=O)OC12CCCCC2 2469631 ZLJWIGGCGRLVIF-UHFFFAOYSA-N 223.316 2.518 0 50 BFAA Cc1ccc(O[C@@H](C)c2nnc(S)n2C)cc1 2522208 IJHSPALLUGDQLM-VIFPVBQESA-N 249.339 2.552 0 50 BFAA in-vitro CCOCC(=O)Nc1cccc(C(F)(F)F)c1 2734468 MIKDNDGIFRZXSP-UHFFFAOYSA-N 247.216 2.680 0 50 BFAA COc1ccccc1OCCCCN1CCCC1 3110252 XPGANDQJMVDQNW-UHFFFAOYSA-N 249.354 2.950 0 50 BFAA CCN(CC)C(=O)N1c2ccccc2C[C@@H]1C 6702195 PLGKQPHLXCSJRY-NSHDSACASA-N 232.327 2.899 0 50 BFAA CC[C@H]1CCCCN1C(=S)NCC(C)C 13829392 IDZWDPLIQPNTBM-NSHDSACASA-N 228.405 2.781 0 50 BFAA Cc1cc(Br)c2cn[nH]c2c1 14984701 WVLOLHQWIPXVBQ-UHFFFAOYSA-N 211.062 2.634 0 50 BFAA in-vitro CCN(CC)CCN(C)CC1CCCCC1 19633919 PLMUNMWKVUPAFY-UHFFFAOYSA-N 226.408 2.840 0 50 BFAA CC(=O)NCCOc1cc(C(C)C)ccc1C 20395766 IJKKPBJRPFDKGA-UHFFFAOYSA-N 235.327 2.633 0 50 BFAA c1cc2cc(C3CCNCC3)ccc2o1 44137673 FNHNVLLRQGOLLU-UHFFFAOYSA-N 201.269 2.900 0 50 BFAA CO[C@H]1C[C@H](c2ccccc2)CCC1=O 146768859 BDWYLSNDWRACPH-YPMHNXCESA-N 204.269 2.538 0 50 BFAA in-vitro S=c1[nH]nc(-c2ccc[nH]2)n1-c1ccccc1 147440006 CNGGAFPKLQKUKS-UHFFFAOYSA-N 242.307 2.925 0 50 BFAA FC1(F)CN(c2ccc(C(F)(F)F)nc2)C1 169725754 ZHOPJVYEYSOIKR-UHFFFAOYSA-N 238.159 2.556 0 50 BFAA Cc1nnc([C@@H](C)Oc2ccc(C)c(F)c2)o1 193587584 ZWUSEXSFMJXRLP-MRVPVSSYSA-N 236.246 2.966 0 50 BFAA c1cnc(S[C@@H]2C[C@H]3CC[C@H]2C3)cn1 225639217 UHQGBQUSBIUZDW-LPEHRKFASA-N 206.314 2.757 0 50 BFAA N[C@@H]1CCc2c1ccc(F)c2Br 238628001 VKHLAHONTVDNNH-MRVPVSSYSA-N 230.080 2.534 0 50 BFAA CCc1cnccc1[C@@H](C)NCC(F)(F)F 240569322 GZODPGWUSHWBGK-MRVPVSSYSA-N 232.249 2.857 0 50 BFAA Fc1nc(OC(F)F)ccc1Br 263625290 YLBDNDCXDIOOKT-UHFFFAOYSA-N 241.994 2.585 0 50 BFAA CC(C)n1nccc1-c1ccc(CN(C)C)cn1 426387048 HJEBUKOJKWDFTI-UHFFFAOYSA-N 244.342 2.588 0 50 BFAA Cn1cc2ccc(-c3cncc(F)c3)cc2n1 1241601531 RMRLFRHZHZKEPM-UHFFFAOYSA-N 227.242 2.774 0 50 BFAA CCn1ncc(-c2ccc(O)cc2C)c1C 2356140190 XZSOVQUHYXNLOS-UHFFFAOYSA-N 216.284 2.892 0 50 BFAA COc1ccc2nc(C)c3c(c2c1)O[C@@H](C)C3 53283 IGBLKXMOCQGDCA-QMMMGPOBSA-N 229.279 2.875 0 50 BFAA biogenic CCCc1cc(=O)oc2cc(OC(C)=O)ccc12 237751 LYHONYWOPDLTBH-UHFFFAOYSA-N 246.262 2.671 0 50 BFAA Clc1ccc(I)cc1 388036 GWQSENYKCGJTRI-UHFFFAOYSA-N 238.455 2.945 0 50 BFAA in-vitro Cc1cccc([C@H](NC(N)=O)c2ccccc2)c1 437671 IWCPEIGEKXEZCI-CQSZACIVSA-N 240.306 2.753 0 50 BFAA CCOC(=O)c1cn2c(n1)sc1ccccc12 1393547 REOXQBVMMDCPSB-UHFFFAOYSA-N 246.291 2.726 0 50 BFAA Cc1ccc2[nH]cc(C3CCNCC3)c2c1 2527194 GHSKCHSQKGGSLP-UHFFFAOYSA-N 214.312 2.943 0 50 BFAA in-vitro Cc1cc2c(NC[C@H]3CCCO3)ncnc2s1 2879567 RSAHQKZTMHHQAK-SECBINFHSA-N 249.339 2.591 0 50 BFAA CCOC(=O)c1ccccc1NC(=O)C(C)(C)C 4159860 IPIAAPZXBHHMGU-UHFFFAOYSA-N 249.310 2.848 0 50 BFAA Brc1cnn(Cc2ccccc2)c1 4857228 QKTAXFTZNKXHMW-UHFFFAOYSA-N 237.100 2.694 0 50 BFAA in-vitro CCCC(=O)N[C@H](C)c1ccc(OC)cc1 6699260 NAOUTQZYGCMBBP-SNVBAGLBSA-N 221.300 2.673 0 50 BFAA NC(=O)c1ccc(OCc2cccc(F)c2)cc1 6704008 VXQFOZIOPNEWKW-UHFFFAOYSA-N 245.253 2.504 0 50 BFAA O=C(O)c1cccc(CN2CCCCCC2)c1 9260199 QBXMVVPNPBTXLH-UHFFFAOYSA-N 233.311 2.761 0 50 BFAA O=C(O)c1ccc(F)c(C(F)(F)F)c1F 33961995 RHOJXSFJDSOLSS-UHFFFAOYSA-N 226.100 2.682 0 50 BFAA in-vitro Cn1cc(C(=O)C2(N)CCCC2)c2ccccc21 34222349 PCVHCNJSQSWJRM-UHFFFAOYSA-N 242.322 2.633 0 50 BFAA CC(C)c1ccccc1O[C@@H](C)C(=O)NC1CC1 44903460 CFXHFYOKEYIILZ-NSHDSACASA-N 247.338 2.856 0 50 BFAA Oc1ccccc1-c1cccc2c1CCNC2 72162440 QRHCMTNJARNHAU-UHFFFAOYSA-N 225.291 2.705 0 50 BFAA O=S=Nc1ccc(C(F)(F)F)cc1 96032120 VNJWEMMDNLQZKC-UHFFFAOYSA-N 207.176 2.734 0 50 BFAA CCOC(=O)Cc1cc(Cl)c(N)c(Cl)c1 231453609 MIOUXSFLVHDQPC-UHFFFAOYSA-N 248.109 2.681 0 50 BFAA in-vitro CN(C)c1noc2ccc(Br)cc12 299889954 RMYDVFAYPXGHTL-UHFFFAOYSA-N 241.088 2.656 0 50 BFAA Cc1coc(S[C@@H](C)C[C@@H]2CCOC2)n1 1775992480 SUOMPROHRSAVBM-UWVGGRQHSA-N 227.329 2.890 0 50 BFAA CC[C@@H](C)NC(=O)c1cc(Cl)ccc1OC 382612 JUNFLUSDGGHRMM-MRVPVSSYSA-N 241.718 2.877 0 50 BFAA Cc1ccc(S[C@H](C)C(=O)NC2CC2)cc1 382650 XKEGMAMQSXUCGO-SNVBAGLBSA-N 235.352 2.754 0 50 BFAA CC(=O)Nc1cccc2cc(O)ccc12 393257 BWGYGWYDRUDOSS-UHFFFAOYSA-N 201.225 2.504 0 50 BFAA in-vitro COc1ccc2c(=O)cc(C(F)(F)F)oc2c1 437880 KJVYPPZKUJGINW-UHFFFAOYSA-N 244.168 2.820 0 50 BFAA CCCSc1nc2ccccc2n1CCO 2914313 WKTYMMQGLZBPDC-UHFFFAOYSA-N 236.340 2.531 0 50 BFAA COC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1 4985958 SNPKAJRSAVLKOE-LBPRGKRZSA-N 247.338 2.705 0 50 BFAA CCCc1nc(C)cc(N2CCC[C@@H](C)C2)n1 6767914 PZUAASZVEFRTDO-LLVKDONJSA-N 233.359 2.974 0 50 BFAA Cc1n[nH]c(SCc2ccccc2C)n1 11709822 YAOCRADDOOURQR-UHFFFAOYSA-N 219.313 2.714 0 50 BFAA NCC1CCN(Cc2cccc(Cl)c2)CC1 11889006 MYSKYKSEXUWHLM-UHFFFAOYSA-N 238.762 2.511 0 50 BFAA Cc1ccc2nc(-c3cccnc3)oc(=O)c2c1 12421344 ZJIGGMFJOZOIQE-UHFFFAOYSA-N 238.246 2.558 0 50 BFAA Cc1ccc(C)c(O[C@H](C)C(=O)NC(C)(C)C)c1 13710114 YPELQVOIZISWPE-GFCCVEGCSA-N 249.354 2.985 0 50 BFAA CCCN[C@H]1CCc2c(cccc2OC)C1 13759788 ICJPCRXVYMMSJY-LBPRGKRZSA-N 219.328 2.552 0 50 BFAA in-vitro CCOC(=O)c1ccc(C)cc1OCC 22058923 PQLJVFJXXWBUPR-UHFFFAOYSA-N 208.257 2.570 0 50 BFAA in-vitro Brc1ccccc1-n1ccnc1 79390172 HFPBSOYHRXOAMW-UHFFFAOYSA-N 223.073 2.635 0 50 BFAA Cc1cc(N2CC[C@](C)(O)C(C)(C)C2)cc(C)n1 91646100 RXUDCZXYZJMBKV-HNNXBMFYSA-N 248.370 2.686 0 50 BFAA CC(=O)N(C)C[C@@H]1[C@@H](C)C=C(C)C[C@H]1C 101125774 COCCDELCQAVHHZ-DMDPSCGWSA-N 209.333 2.703 0 50 BFAA Oc1cncc2c(Br)cccc12 220446275 IURMCZMKZBTSLW-UHFFFAOYSA-N 224.057 2.703 0 50 BFAA CC(F)(F)c1ccc(C(=O)N2CCC2)cc1 292288392 STFFZQFPLONDPP-UHFFFAOYSA-N 225.238 2.644 0 50 BFAA COc1ccc(-c2ncnn2C(C)C)c(OC)c1 426518847 ULQJASMYBHQHIZ-UHFFFAOYSA-N 247.298 2.543 0 50 BFAA CCn1nncc1CNC1CC2(CCCCC2)C1 657750885 GHBCZKVHBLXWCZ-UHFFFAOYSA-N 248.374 2.501 0 50 BFAA c1ccc2c(CN3CCC[C@H]3C3CC3)n[nH]c2c1 678240526 ZASQGHTZIZKHHW-HNNXBMFYSA-N 241.338 2.937 0 50 BFAA CC[C@@H]1CCc2nnc(-c3ncoc3C)n2CC1 1772812117 AWCHYAZJXHACDM-SNVBAGLBSA-N 246.314 2.604 0 50 BFAA C(=C/c1conc1C1CCC1)\c1cccnn1 1875281388 QLZSUOVPNCSHTP-VOTSOKGWSA-N 227.267 2.903 0 50 BFAA CC1(C)C=C(/C=C/c2ccccc2)NC(=S)N1 51007 XSCGDNGCQKSMCC-CMDGGOBGSA-N 244.363 2.840 0 50 BFAA Cc1cccc(NC(=O)Nc2cc(C)on2)c1 137613 WTCJAYUONBRKOC-UHFFFAOYSA-N 231.255 2.935 0 50 BFAA c1ccc(-c2nnc(-c3ccncc3)o2)cc1 145495 TUIXVQYWFSEXHA-UHFFFAOYSA-N 223.235 2.799 0 50 BFAA O=C(O)[C@H]1CCCC[C@H]1C(=O)c1cccs1 155761 OHEBPHKWGCMUNK-BDAKNGLRSA-N 238.308 2.822 0 50 BFAA CC(=O)Cc1ccc(Br)cc1 157218 CFMMTXJMIJRUSH-UHFFFAOYSA-N 213.074 2.581 0 50 BFAA O=C(O)CCC(=O)C12CC3CC(CC(C3)C1)C2 246614 JOMLUJFKSUOYTA-UHFFFAOYSA-N 236.311 2.637 0 50 BFAA C[C@H]1CCCN(C(=O)/C=C/c2ccccc2)C1 449993 NTENAXUBMPWURD-LXKVQUBZSA-N 229.323 2.958 0 50 BFAA O=C(CCC1CCCC1)Nc1ccncc1 461748 QTRRWNQGJNIYOB-UHFFFAOYSA-N 218.300 2.991 0 50 BFAA C[C@H](NCc1ccncc1)c1ccccc1 570730 RRAGLXJZCODDRE-LBPRGKRZSA-N 212.296 2.932 0 50 BFAA CSc1cccc(NC(=S)N(C)C)c1 611626 WZZFYSVFEKTMOD-UHFFFAOYSA-N 226.370 2.667 0 50 BFAA C[C@H]1CCCN(C(=O)c2ccccc2)C1 1480334 KXEVGKCOPOYOFG-NSHDSACASA-N 203.285 2.559 0 50 BFAA CCCOc1ccc2ccc(=O)oc2c1 1893420 FCCCOTWGEKNZMI-UHFFFAOYSA-N 204.225 2.582 0 50 BFAA biogenic,in-vivo O=C(c1ccc(F)c(F)c1)C(F)(F)F 2378571 WEKSIOBQIQXAEE-UHFFFAOYSA-N 210.101 2.710 0 50 BFAA COc1cc(CN2CCCCCC2)ccc1O 4978477 HUDSURAFKUFMAK-UHFFFAOYSA-N 235.327 2.777 0 50 BFAA O=[S@@](Nc1ccccc1)c1ccccc1 5484512 VLJMBCZQJWXJAW-HNNXBMFYSA-N 217.293 2.821 0 50 BFAA Cc1nc(-c2cccc(Br)c2)no1 7781175 GTYLSVIVKRJHIQ-UHFFFAOYSA-N 239.072 2.808 0 50 BFAA in-vitro CNC(=O)c1ccccc1SC(C)C 8496961 UVUZEKSTHLZGFW-UHFFFAOYSA-N 209.314 2.547 0 50 BFAA Cc1ccnc(Br)c1Cl 8698243 RLGRCRSMZFZRPK-UHFFFAOYSA-N 206.470 2.806 0 50 BFAA in-vitro CC[C@](C)(CCN)c1ccccc1OC 12953721 MEAPSHHXCPRNDS-CYBMUJFWSA-N 207.317 2.712 0 50 BFAA in-vitro O=C(O)/C=C(/Cl)C(Cl)(Cl)Cl 25625329 FNCZSFIKXGUZMW-OWOJBTEDSA-N 223.870 2.564 0 50 BFAA CCc1cnc(-c2cccc(NC(C)=O)c2)nc1 32576419 BNGDGAZQGLBGQK-UHFFFAOYSA-N 241.294 2.664 0 50 BFAA Nc1cnc2ccccc2c1C(F)(F)F 36467305 QWTAFNHRDFTUNP-UHFFFAOYSA-N 212.174 2.836 0 50 BFAA CC(C)COc1cc(C(=O)O)c2ccccc2n1 37336585 LLHDSJXTCVATFG-UHFFFAOYSA-N 245.278 2.968 0 50 BFAA O=Cc1cc(Br)c(F)cc1F 85482124 UFNBTKFAPDUBCY-UHFFFAOYSA-N 221.000 2.540 0 50 BFAA in-vitro Cc1ncsc1CNc1ccc(F)nc1 134439146 QIWXJNXRBWVQSH-UHFFFAOYSA-N 223.276 2.598 0 50 BFAA Cc1ccccc1Oc1cc(F)ncn1 149897439 QVTPNIFIKLXBJI-UHFFFAOYSA-N 204.204 2.716 0 50 BFAA Cc1cccc(NC(=O)C2=COCCC2)c1F 182336852 SUDPLVBAOUSVGN-UHFFFAOYSA-N 235.258 2.767 0 50 BFAA Cc1csc(C[S@@](=O)c2ccoc2C)n1 189627951 DEIMHJKGAJROPP-OAHLLOKOSA-N 241.337 2.661 0 50 BFAA Cc1ccc(CNC(=O)[C@H](F)C(F)(F)F)cc1 252506351 VZXXMDUBKPVTFU-VIFPVBQESA-N 249.207 2.512 0 50 BFAA COc1ccc2c(c1)[C@@H]1[C@@H]3[C@@H]4[C@H]3[C@@H]3[C@H]1[C@@H]3[C@H]24 257346642 XLLZTEORNJNOQZ-RJDLZGIJSA-N 210.276 2.628 0 50 BFAA C[C@H](c1ccc(-c2nccn2C)cc1)N(C)C 426387824 JSBYWKSEFCINKZ-LLVKDONJSA-N 229.327 2.710 0 50 BFAA O=C(O)c1c(-c2ccco2)noc1C1CCC1 675058208 XTZCDHXVIBGIID-UHFFFAOYSA-N 233.223 2.900 0 50 BFAA CN1CC[C@@H](Cn2ccnc2-c2cccs2)C1 709454917 MQJKPHZUJNJYGU-LLVKDONJSA-N 247.367 2.563 0 50 BFAA O=Cc1ccccc1-c1noc(C2CCC2)n1 725273510 HZJDZNIOLKATHE-UHFFFAOYSA-N 228.251 2.817 0 50 BFAA C=CC(=O)NCC1(C)CCC(C)(C)CC1 1353224636 BWBGKVUNVWHBPE-UHFFFAOYSA-N 209.333 2.895 0 50 BFAA C[C@H](Oc1ccccc1)C(=O)N1CCC[C@@H](C)C1 30487 KUNCMVZNJCVBNU-OLZOCXBDSA-N 247.338 2.712 0 50 BFAA C1CCC(N2CCC(N3CCCC3)CC2)CC1 317407 MBDMPDVVPFZYRP-UHFFFAOYSA-N 236.403 2.879 0 50 BFAA CSCC(=O)Nc1ccc(C)c(C)c1 615680 MPWDKDIOOZCBEY-UHFFFAOYSA-N 209.314 2.605 0 50 BFAA CSc1nnc(-c2ccc(Cl)cc2)n1C 732314 CFPVKCWDDDIQRT-UHFFFAOYSA-N 239.731 2.857 0 50 BFAA Nc1nnc(SCc2cccc(F)c2)s1 1393597 ITAOMCKIZYUGMA-UHFFFAOYSA-N 241.316 2.552 0 50 BFAA CCSC(=O)c1c[nH]cc1C(=O)SCC 2519511 OGDCAFRXPLLXIR-UHFFFAOYSA-N 243.353 2.801 0 50 BFAA NNc1cccc(OCc2ccccc2)c1 2578976 WMAHWJQWNIQDQR-UHFFFAOYSA-N 214.268 2.551 0 50 BFAA Cc1cccc(C)c1OCCCC(=O)O 4136945 LGFQFIRVICKGHO-UHFFFAOYSA-N 208.257 2.547 0 50 BFAA CCOC(=O)C(=O)c1ccc(C(C)C)cc1 4255782 CGCCWTUTQYRMIO-UHFFFAOYSA-N 220.268 2.556 0 50 BFAA CC(C)(C)C(=O)N1CCc2ccccc2C1 5383550 HWSYMHFJGZIIOP-UHFFFAOYSA-N 217.312 2.617 0 50 BFAA COc1cccc(-c2nc(C(=O)O)c(C)s2)c1 11766534 UEMMQIZKOKFUTH-UHFFFAOYSA-N 249.291 2.825 0 50 BFAA COc1ccccc1C(=O)NC1CCCCC1 54201858 RCJLZEYLBMQMFQ-UHFFFAOYSA-N 233.311 2.758 0 50 BFAA CN(C/C=C/c1ccco1)CC1(CO)CCCC1 65525903 PLURSPQPKGPSQQ-GQCTYLIASA-N 249.354 2.777 0 50 BFAA CN(C)C(=O)c1ccc(-c2cccc(N)c2)cc1 85477503 DHSDXYOFOGILDT-UHFFFAOYSA-N 240.306 2.638 0 50 BFAA in-vitro CC(C)(C)C(=O)CSCCCn1ccnc1 180438210 FKLWAFBDFAEXAO-UHFFFAOYSA-N 240.372 2.622 0 50 BFAA Oc1ccc(-c2ncc3n2CCCC3)cc1 225391623 QOYMGIHYTZGPQT-UHFFFAOYSA-N 214.268 2.592 0 50 BFAA C[C@@H](CC(F)F)C(=O)N1CCC(C)(C)C1 334807250 OZMSFVIJEJCXCT-QMMMGPOBSA-N 219.275 2.536 0 50 BFAA Cc1nccnc1N1CCC[C@H]1c1cccnc1 357321236 YNDHFIJSFNFROU-ZDUSSCGKSA-N 240.310 2.522 0 50 BFAA COC(=O)/C=C1/C[C@H]2C[C@H]1[C@H]1CCC[C@H]12 757190925 GFXDYPFXBWSGTH-PWLQQMOVSA-N 206.285 2.542 0 50 BFAA CN(C)C(C)(C)Cn1ccnc1-c1cccs1 1875248430 PPFWXJGVNVUCOI-UHFFFAOYSA-N 249.383 2.952 0 50 BFAA CCNC(=O)c1cc2cc(C)c(Cl)cc2[nH]1 2325769810 RNCJIAYIYFPFII-UHFFFAOYSA-N 236.702 2.879 0 50 BFAA Cc1cc(C(=O)Nc2cccc(O)c2)c(C)o1 194769 GWGHIELBFHACFO-UHFFFAOYSA-N 231.251 2.854 0 50 BFAA O=C(O)COc1ccc(Cc2ccccc2)cc1 2455994 ABTNKWXRXNGUMG-UHFFFAOYSA-N 242.274 2.741 0 50 BFAA COc1cc(CN2CCC[C@@H](C)C2)ccc1O 4989087 GMBHVGBXIAAQIC-LLVKDONJSA-N 235.327 2.633 0 50 BFAA NC(=O)c1ccc(-c2csc(=S)[nH]2)s1 6322572 AMSLEHALZQXAOV-UHFFFAOYSA-N 242.350 2.633 0 50 BFAA C[C@@H]1CCCCN1Cc1cccc(N)c1 13997933 PVBWZYYMIBPJCR-LLVKDONJSA-N 204.317 2.643 0 50 BFAA in-vitro Cc1ccsc1CN1C[C@@H](C)O[C@H](C)C1 23115288 MYQBJXAVESBUQC-GHMZBOCLSA-N 225.357 2.666 0 50 BFAA O=C(O)Cc1cc(Cl)cc(Cl)c1 33986325 RERINLRFXYGZEE-UHFFFAOYSA-N 205.040 2.621 0 50 BFAA in-vitro CCc1cc(Br)ccc1C(=O)O 39102882 QICLFMFOLSIPOD-UHFFFAOYSA-N 229.073 2.710 0 50 BFAA in-vitro Cc1cc(C)c(CN(C)Cc2ncc[nH]2)cc1C 65505425 SOYHZMVICRTNJF-UHFFFAOYSA-N 243.354 2.967 0 50 BFAA NC(=O)CCc1ccc(Oc2ccccc2)cc1 77439729 SYZSYUUENSURKV-UHFFFAOYSA-N 241.290 2.897 0 50 BFAA Nc1ccc(-c2ccc(C(=O)O)s2)cc1 149867006 CQJWNOOSJYYEBE-UHFFFAOYSA-N 219.265 2.696 0 50 BFAA CCN(Cc1cocn1)[C@H](C)c1cccc(O)c1 191933960 KVEHHRJHXMXYMA-LLVKDONJSA-N 246.310 2.963 0 50 BFAA CC(=O)N(C)C[C@@H]1[C@@H](C)C=C(C)C[C@@H]1C 222237159 COCCDELCQAVHHZ-GMXVVIOVSA-N 209.333 2.703 0 50 BFAA C[C@@H]1CC[C@H](CN(C#N)c2ccc(F)cc2)O1 239672667 BUOWBBKAROAOOG-ZWNOBZJWSA-N 234.274 2.681 0 50 BFAA O=C1[C@H]2C=C[C@H]1[C@@H]1[C@H]2[C@H]2C[C@H]1c1ccccc12 247709591 IBMKGOBRXZCXBC-WCBJTDJXSA-N 222.287 2.888 0 50 BFAA Cc1cnn(CCN(C)[C@@H]2CCCC[C@@H]2C)c1 253416660 DGAOYZRZPUGCPK-UONOGXRCSA-N 235.375 2.702 0 50 BFAA Cc1ccn2c(=O)c(C(C)C)c(Cl)nc2c1 725244622 KTQMYPPKFUGDNG-UHFFFAOYSA-N 236.702 2.780 0 50 BFAA CSC[C@@H](Cc1ccc(F)cc1F)C(=O)O 1857783333 DPWYDLOCOQFNRG-MRVPVSSYSA-N 246.278 2.571 0 50 BFAA CC/C=C/COC(=O)c1cccc2[nH]ncc12 1875253290 CAYLIMRORBDQID-ONEGZZNKSA-N 230.267 2.686 0 50 BFAA Cc1n[nH]c(C)c1-c1ccc2ncc(Cl)n2c1 1875340336 WGRPURJNIGNPIE-UHFFFAOYSA-N 246.701 2.995 0 50 BFAA Clc1ccc(CSC2=NCCN2)cc1 144264 KXOKIZTXQBGWOH-UHFFFAOYSA-N 226.732 2.532 0 50 BFAA CCOC(=O)COc1cccc(Cl)c1Cl 410094 BQMMOIPXVZAINF-UHFFFAOYSA-N 249.093 2.935 0 50 BFAA CCCC(=O)Nc1ccc(Cl)c(N)c1 467288 JKCHAPLJTLRQCQ-UHFFFAOYSA-N 212.680 2.661 0 50 BFAA in-vitro CC(=O)c1ccc(F)c(Br)c1 2004531 SZDWTGAORQQQGY-UHFFFAOYSA-N 217.037 2.791 0 50 BFAA in-vitro Brc1csc(C2OCCO2)c1 2529191 GDNOSUAFGZBAOR-UHFFFAOYSA-N 235.102 2.556 0 50 BFAA O=C(O)CCC(=O)Oc1cccc2ccccc12 3013891 GQIIMORHNDTLNM-UHFFFAOYSA-N 244.246 2.610 0 50 BFAA O=C1N[C@@H](c2ccc(F)cc2)Oc2ccccc21 3190168 ASXUYEWEUQLTDG-CQSZACIVSA-N 243.237 2.647 0 50 BFAA C/C(=C\c1ccccc1)CN1CCC[C@H](O)C1 23281261 GHLAWSWLBBYGOW-VOMSXAGXSA-N 231.339 2.547 0 50 BFAA CCN(CC)C(=O)c1ccc(-c2ccncc2)o1 32498428 PRQPMVWBQUVZPU-UHFFFAOYSA-N 244.294 2.824 0 50 BFAA CC[C@H](C)[C@H](C(=O)OC)c1ccccc1 35100073 DEMNWNQRDYJAFU-JQWIXIFHSA-N 206.285 2.989 0 50 BFAA Cc1ccc(CN(C)C(=O)[C@H]2CC=CCC2)o1 52987881 TVKBLPDGPVWYAR-LBPRGKRZSA-N 233.311 2.903 0 50 BFAA CC(C)[S@@](=O)c1cccc(Br)c1 74937756 LRQCRBOMTRAHLA-LBPRGKRZSA-N 247.157 2.965 0 50 BFAA in-vitro Cc1cccnc1-c1cccc(C(=O)O)c1 118796302 CNLMOMQMEDBMEO-UHFFFAOYSA-N 213.236 2.755 0 50 BFAA Oc1cc(F)c(Cl)cc1Br 140080890 KQAXEKRONYMMKG-UHFFFAOYSA-N 225.444 2.947 0 50 BFAA C[C@@H](C(=O)O)N1CCC[C@@](C)(c2ccccc2)C1 237485339 FEHPBDRDMSFMQL-SWLSCSKDSA-N 247.338 2.513 0 50 BFAA CNc1ccc(NC(=O)Nc2ccccc2)cn1 259310987 WTZLZYLZOWSDNB-UHFFFAOYSA-N 242.282 2.767 0 50 BFAA O=C1CN(c2cccc(F)c2)c2ccccc2N1 259422773 TUWBDWFRELHIKP-UHFFFAOYSA-N 242.253 2.916 0 50 BFAA O=C1NC[C@@H](CSc2cccc(Cl)c2)O1 264608256 BGKNOHZLDGSTRQ-QMMMGPOBSA-N 243.715 2.541 0 50 BFAA CC[C@@H]1OCCC[C@@H]1C(=O)Nc1cnccc1C 277142362 CGUVYHICVLNIGA-AAEUAGOBSA-N 248.326 2.534 0 50 BFAA Cc1cnc([C@H](C)N2CCC[C@@](C)(F)C2)o1 336275366 IZUBONNENREMDT-CMPLNLGQSA-N 226.295 2.868 0 50 BFAA CCCc1c(Cl)nc2cc(C)ccn2c1=O 725245519 ULWJBUZSQCCCGS-UHFFFAOYSA-N 236.702 2.609 0 50 BFAA O=C(Nc1ccc(Cl)nc1)[C@@H]1CC12CCC2 759695613 AENSNXKJHGADHY-VIFPVBQESA-N 236.702 2.864 0 50 BFAA C[C@H](NCc1ccc2nsnc2c1)C1CCC1 820732714 ODCGKRPDDTXGPN-VIFPVBQESA-N 247.367 2.970 0 50 BFAA C=CC(=O)NCc1cc(C2CC2)ccc1F 863971064 DEJVPJLZZGRLQU-UHFFFAOYSA-N 219.259 2.505 0 50 BFAA CCn1nc(C)nc1-c1cc(C)ccc1OC 1506405237 DCVBGRVISAEURQ-UHFFFAOYSA-N 231.299 2.590 0 50 BFAA Cc1ccccc1NC(=O)c1ccncc1 225731 HDXFMZAMFCTPSU-UHFFFAOYSA-N 212.252 2.642 0 50 BFAA O=C(Nc1ccc(F)cc1)N1CCCCC1 355679 OQXQMWNXXPEEJS-UHFFFAOYSA-N 222.263 2.844 0 50 BFAA CCCc1cc(C(=O)OC)c2ccccc2n1 372024 OLZCZNQLWTWUMM-UHFFFAOYSA-N 229.279 2.974 0 50 BFAA Cc1cccc(NC(=O)NC2CCCCC2)n1 395843 WHSBPIVGRFZYDM-UHFFFAOYSA-N 233.315 2.844 0 50 BFAA CCCCOCCOC(=O)c1ccccc1 1583997 NMBQBIACXMPEQB-UHFFFAOYSA-N 222.284 2.660 0 50 BFAA CCC[C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2 4197084 RWVDXCQFPYWMPK-SNVBAGLBSA-N 249.310 2.833 0 50 BFAA CC1(C)OC(=O)N2CCc3sccc3[C@]21C 6668434 MLLISFAQTWSGPF-LBPRGKRZSA-N 237.324 2.750 0 50 BFAA Cc1ccc(CCC(=O)NC(C)(C)C)cc1 10336404 XVIJJAVDUUOGAF-UHFFFAOYSA-N 219.328 2.842 0 50 BFAA O=C1CCc2c1cccc2C(F)(F)F 39952002 LJVBFMQEZSEGRL-UHFFFAOYSA-N 200.159 2.834 0 50 BFAA in-vitro CC(=O)N(C)c1ccc2c(c1)CCCCC2=O 43214729 WQVFWJVYZXRXGY-UHFFFAOYSA-N 231.295 2.578 0 50 BFAA S=C1O[C@@H]2[C@@H](O1)C13CC=CCC21CC=CC3 45027669 SRGFULQHILKTAT-ITSCGTHASA-N 234.320 2.742 0 50 BFAA CN(C)C1(CNc2ccncn2)CCCCCC1 91562790 NQNNWAPPAGZIHE-UHFFFAOYSA-N 248.374 2.543 0 50 BFAA Cc1nc(CN(C)Cc2ncccc2C)cs1 93168547 WOQHGQUURCDTDF-UHFFFAOYSA-N 247.367 2.787 0 50 BFAA COC(=O)c1ccnc(-c2cccs2)c1 97756985 WUVILBJLJTXXMR-UHFFFAOYSA-N 219.265 2.597 0 50 BFAA Cc1ccn2nc(-c3ccccc3)cc2n1 98042884 NYULSDLMUCOZBB-UHFFFAOYSA-N 209.252 2.705 0 50 BFAA COc1c(C(=O)O)cc(F)c2ccccc12 113932571 GUPJNLSSYVNWCY-UHFFFAOYSA-N 220.199 2.686 0 50 BFAA CC[C@@H](CCO)NCc1ccc(Cl)cc1F 162983809 YMEXMZZPCCUUDB-NSHDSACASA-N 245.725 2.730 0 50 BFAA COc1cccc(-c2ccc(CN)s2)c1OC 212978851 SEKMUCUXWPKKLZ-UHFFFAOYSA-N 249.335 2.891 0 50 BFAA COc1ccccc1CN[C@H]1CSC[C@H]1C 285619897 WJMXDLUBPZYMDJ-PWSUYJOCSA-N 237.368 2.536 0 50 BFAA CCn1ncc(C)c1NC(=O)[C@H]1CC=CCC1 618444007 WLCMFKUSSVKUGO-NSHDSACASA-N 233.315 2.506 0 50 BFAA CCc1[nH]c(Cc2ccccc2)cc1C(=O)O 642885693 FCIRHLYUXIQESM-UHFFFAOYSA-N 229.279 2.866 0 50 BFAA Cc1c(Br)cnc(O)c1Cl 709699604 FLWGHKMBQUIJST-UHFFFAOYSA-N 222.469 2.512 0 50 BFAA FC(F)C12CC(CN1Cc1ccccc1)C2 1776000288 OHFLAZLWDVZLOA-UHFFFAOYSA-N 223.266 2.916 0 50 BFAA CC(C)[C@@H]1CN2C(=N1)Sc1ccccc12 1857775646 NRFXELMCDBIMBQ-VIFPVBQESA-N 218.325 2.993 0 50 BFAA CCC[C@H](C)NC(=O)c1ccc(NC(C)=O)cc1 30376 ONDSPLWAURSXSA-JTQLQIEISA-N 248.326 2.563 0 50 BFAA CCCOc1ccc(NC(=O)C2CC2)cc1 2271856 IUPXZFLTFDWCQQ-UHFFFAOYSA-N 219.284 2.824 0 50 BFAA CCOC(=O)c1cnn(-c2ccccc2C)c1C 2532524 RLPSPOKZLPVRGA-UHFFFAOYSA-N 244.294 2.666 0 50 BFAA O=C(/C=C/c1cccc(Cl)c1)N1CCCC1 4903949 JPJQNIANOPAOHO-VOTSOKGWSA-N 235.714 2.976 0 50 BFAA CCC(=O)N[C@H](CC)c1ccc(C)cc1 6698448 AVCINTRUNIKJCU-GFCCVEGCSA-N 205.301 2.972 0 50 BFAA O=C(O)Cc1c(Cl)cccc1C(F)(F)F 12359254 QVSWFQSUELDCNS-UHFFFAOYSA-N 238.592 2.986 0 50 BFAA Cc1cc(Br)cc2cn[nH]c12 13572866 OUNQFZFHLJLFAR-UHFFFAOYSA-N 211.062 2.634 0 50 BFAA in-vitro CCCN(CCC)C(=O)N[C@H](C)CC 13745903 VYVSMUCIHZTSJP-SNVBAGLBSA-N 200.326 2.617 0 50 BFAA O=C1c2ccccc2-c2cc(=O)[nH]c3cccc1c23 13829304 CTSKAPUYEZZYQA-UHFFFAOYSA-N 247.253 2.740 0 50 BFAA biogenic C[C@H]1CN(CCCOc2ccccc2)C[C@@H](C)O1 16247177 RLDOIAYHNMTTBF-OKILXGFUSA-N 249.354 2.565 0 50 BFAA O=C(O)c1cc(-c2cccc(Cl)c2)no1 26514970 HNYLKRYOMWDUOY-UHFFFAOYSA-N 223.615 2.693 0 50 BFAA in-vitro COC(=O)c1oncc1-c1ccc(Cl)cc1 38537206 QCVYAVASMNNCGK-UHFFFAOYSA-N 237.642 2.782 0 50 BFAA in-vitro Clc1cncc(Nc2ccccc2)n1 38585533 IMACCNVRJOXLEO-UHFFFAOYSA-N 205.648 2.874 0 50 BFAA NCc1ccc(C(F)(F)F)cc1Cl 39957272 ODSDBUOMHSEMBS-UHFFFAOYSA-N 209.598 2.818 0 50 BFAA CC(=O)Nc1cccc(-c2ccccn2)c1 82254470 WSXYURCZJORUPV-UHFFFAOYSA-N 212.252 2.707 0 50 BFAA FCCCn1ccnc1-c1cccs1 162851300 BIXXYCQIXHQECN-UHFFFAOYSA-N 210.277 2.971 0 50 BFAA C[C@H](NCCCF)c1cccc(-n2cccn2)c1 170064175 ILLNCNLBJCQCJU-LBPRGKRZSA-N 247.317 2.883 0 50 BFAA Cc1cc(F)ccc1NC(=O)c1ccc[nH]1 170103358 DTSQATZZLSBISP-UHFFFAOYSA-N 218.231 2.715 0 50 BFAA O=C(Nc1ccc(Cl)nc1)[C@@H]1[C@H]2CCC[C@H]21 248344586 LUBKIUPSYISTMZ-JZYVYDRUSA-N 236.702 2.720 0 50 BFAA O=C(N[C@H]1CC=CCC1)[C@H]1CCC(F)(F)C1 336538155 XEDYOJLVZQBAAH-UWVGGRQHSA-N 229.270 2.647 0 50 BFAA Cc1cc(-c2cnc3cnccn23)c(F)cc1O 2356143623 PRVJZTWTWBYDMD-UHFFFAOYSA-N 243.241 2.549 0 50 BFAA COC(=O)CCC(=O)c1cc2ccccc2o1 52314 BWMLPJNDFRIQHE-UHFFFAOYSA-N 232.235 2.569 0 50 BFAA Cc1ccsc1CN(C)C1CCN(C)CC1 236641 CPAMYMZJEGQTJO-UHFFFAOYSA-N 238.400 2.583 0 50 BFAA Cc1cccc(NC(=O)[C@@H](O)c2ccccc2)c1 238133 KDQLRKCTZXGNPJ-AWEZNQCLSA-N 241.290 2.667 0 50 BFAA OC[C@@H]1CCCCN1Cc1ccc(Cl)cc1 247691 JBWCXKGQDMBBCO-ZDUSSCGKSA-N 239.746 2.687 0 50 BFAA COc1cc(CN[C@@H]2CC[C@@H](C)C2)cc(OC)c1 277290 IUTHOWKMPJVEGB-DGCLKSJQSA-N 249.354 2.982 0 50 BFAA CCNC(=O)Nc1ccc(C)c(Cl)c1 396691 IQTZEHBSTDNGCM-UHFFFAOYSA-N 212.680 2.790 0 50 BFAA Cc1ccc(/C=C/C(=O)Nc2cccnc2)o1 433702 DFDAIVPFRALWTM-VOTSOKGWSA-N 228.251 2.635 0 50 BFAA CCc1ccc(NC(=O)C(F)(F)F)cc1 438017 VEYAGSUQCDESMW-UHFFFAOYSA-N 217.190 2.750 0 50 BFAA CCOCCOC(=O)Nc1ccc(C)cc1C 2172122 RGLALYSETBDDMG-UHFFFAOYSA-N 237.299 2.888 0 50 BFAA CCOc1ccc(C[C@@H]2CCCCN2)cc1 2582638 VSZYZMILAJQEPZ-ZDUSSCGKSA-N 219.328 2.770 0 50 BFAA in-vitro CCCCNCCCOc1ccc(OC)cc1 2898053 ZOZWPBQRDJOGQH-UHFFFAOYSA-N 237.343 2.854 0 50 BFAA O=C1[C@H]2Cc3ccccc3[C@@H]2C1(Cl)Cl 4277427 KAGZBEUEDMPZCQ-IUCAKERBSA-N 227.090 2.699 0 50 BFAA CCN1C(=O)S/C(=C/c2ccsc2)C1=O 4695160 HYKQQGYHEXTYGH-VMPITWQZSA-N 239.321 2.804 0 50 BFAA Clc1cncc(OCc2ccccc2)n1 9458321 AOYRICZDNURREY-UHFFFAOYSA-N 220.659 2.709 0 50 BFAA in-vitro COC(=O)N[C@H](C)c1cc(C)ccc1C 13320930 HRJSIZLICYYFEB-SNVBAGLBSA-N 207.273 2.720 0 50 BFAA CSc1nc(Cl)cc(NC(C)C)n1 15021625 UFIHRHMWSNBGPR-UHFFFAOYSA-N 217.725 2.672 0 50 BFAA in-vitro Nc1c(F)cc(Br)cc1Cl 15444532 BMWOENOCPPYRRS-UHFFFAOYSA-N 224.460 2.824 0 50 BFAA in-vitro Cc1cc(N)c2ccc(Br)cc2n1 32099424 FAFPABCDYGZGQZ-UHFFFAOYSA-N 237.100 2.888 0 50 BFAA O=c1oc2ccccc2nc1-c1ccccc1 34431867 YYPMRNQIJSHAEE-UHFFFAOYSA-N 223.231 2.855 0 50 BFAA Cc1ccnc(Cc2ccnc(F)c2)c1 38537457 LNQNCCWYXSBFIL-UHFFFAOYSA-N 202.232 2.515 0 50 BFAA in-vitro Cc1c(Br)ccc(C(=O)O)c1F 98209961 PIMDCUNZRUXGME-UHFFFAOYSA-N 233.036 2.595 0 50 BFAA CC1(C)[C@@H]2C[C@@H]1CC=C2CN1CCC[C@H](CO)C1 110186856 PDCQVXFZCJZERL-AEGPPILISA-N 249.398 2.683 0 50 BFAA CSCc1ccc(Br)cn1 132821805 QWFYOEIFMOQUBN-UHFFFAOYSA-N 218.119 2.707 0 50 BFAA C[Si](C)(C)c1ccc(Br)cc1 169876572 UKTSSJJZFVGTCG-UHFFFAOYSA-N 229.193 2.994 0 50 BFAA in-vitro CCN1CCC[C@@H](c2cccc(C(=O)O)c2)C1 223011449 PADVPBRJTQFIOC-CYBMUJFWSA-N 233.311 2.584 0 50 BFAA C1=C[C@@H](N2CCC[C@@H](c3ccn[nH]3)C2)CCC1 229604898 XNLAIEAWDUVTBS-CHWSQXEVSA-N 231.343 2.698 0 50 BFAA CCOC[C@H]1CCCN1CCCc1cccnc1 244633078 FWDPTYARVUASMJ-OAHLLOKOSA-N 248.370 2.515 0 50 BFAA CCc1ccc(CN(C)C[C@H]2CCCOC2)nc1 244701070 JZQROMXEKMBIPN-CQSZACIVSA-N 248.370 2.502 0 50 BFAA COc1ccc(OC)c2c1[C@@H]1C[C@H]3[C@@H]1[C@H]23 247915061 VTSCFAUQUCVNCR-BQIHAETKSA-N 202.253 2.534 0 50 BFAA Oc1cc(F)c(Cl)c(Br)c1 263623663 JLHNWRBZQQAWRC-UHFFFAOYSA-N 225.444 2.947 0 50 BFAA Cc1cc(C2CCC2)nc(-c2ccc(=N)[nH]c2)n1 426408925 KDXSXBBBFCYILG-UHFFFAOYSA-N 240.310 2.527 0 50 BFAA c1cn(CC2CCOCC2)c(C2CCCC2)n1 1875250887 OMXFRHLCXWREQY-UHFFFAOYSA-N 234.343 2.967 0 50 BFAA O=c1c2sccc2cnn1CCC1CCC1 2325777564 LMOVEGYALKFQCK-UHFFFAOYSA-N 234.324 2.648 0 50 BFAA COC(=O)Nc1ccc(Cc2ccncc2)cc1 36068 ZWUBZIQOXMHHOZ-UHFFFAOYSA-N 242.278 2.851 0 50 BFAA CCOC(=O)c1c(C(C)C)csc1N 66308 YJQXDJCAPDKLGP-UHFFFAOYSA-N 213.302 2.630 0 50 BFAA in-vitro COC(=O)CCC(=O)Nc1c(C)cc(C)cc1C 125228 QRJAZFXQMYFFRD-UHFFFAOYSA-N 249.310 2.504 0 50 BFAA CCOc1ccc(NC(=O)c2cccnc2)cc1 134630 JCVRNYMBCSKYJO-UHFFFAOYSA-N 242.278 2.733 0 50 BFAA COc1ccc(Nc2ncccc2C(=O)O)cc1 194693 XGRXAHKHESPCMV-UHFFFAOYSA-N 244.250 2.532 0 50 BFAA O=C(Nc1ccc(Cl)cc1)c1ccncc1 209935 QXVSZZRIGDEOOB-UHFFFAOYSA-N 232.670 2.987 0 50 BFAA Fc1ccccc1NC(=S)N1CCCC1 302295 FZRVCQPHFMQUTN-UHFFFAOYSA-N 224.304 2.618 0 50 BFAA O=C(O)c1c(Cl)cccc1Br 1732024 URGXUQODOUMRFP-UHFFFAOYSA-N 235.464 2.801 0 50 BFAA in-vitro COC(C)(OC)c1ccccc1Br 2544773 UYNFQWFFNQBNCL-UHFFFAOYSA-N 245.116 2.915 0 50 BFAA O=C(O)Cc1cccc(SC(F)(F)F)c1 2560239 FSTITWGTGMPLTF-UHFFFAOYSA-N 236.214 2.926 0 50 BFAA CCOc1ccccc1[C@@H]1CCCCN1 3734679 CGFQHEDRTYRHDN-LBPRGKRZSA-N 205.301 2.900 0 50 BFAA in-vitro CCCCN[C@H](C)COc1ccccc1 3921077 IQZZXHXSGKRUMJ-GFCCVEGCSA-N 207.317 2.844 0 50 BFAA O=C(O)[C@@H]1CCCC[C@H]1C(=O)c1ccccc1 4262290 FLPQLUGZLPSVOG-VXGBXAGGSA-N 232.279 2.760 0 50 BFAA CC(=O)c1ccc(NC(=O)C(C)(C)C)cc1 5229432 FXAGRBAPRNMVOE-UHFFFAOYSA-N 219.284 2.874 0 50 BFAA C[C@@H]1CCCN(Cc2ccc(C(=O)O)cc2)C1 8730783 FZWOQSMZYPCVNM-LLVKDONJSA-N 233.311 2.617 0 50 BFAA CC(C)Oc1cccc(C(=O)Nc2ccon2)c1 12382804 UGEGTWFGNYJMJM-UHFFFAOYSA-N 246.266 2.714 0 50 BFAA Fc1ccc(NC[C@@H]2CCCN2)cc1Cl 12404713 BENQUZFIBNHXLZ-VIFPVBQESA-N 228.698 2.643 0 50 BFAA in-vitro O=c1ccc(-c2ccc3ccccc3c2)n[nH]1 26420383 WGLIXRXOERJHDG-UHFFFAOYSA-N 222.247 2.590 0 50 BFAA COc1ccc2c(c1)c1ncnc(Cl)c1n2C 34925352 VKWOHOPWHUHGQV-UHFFFAOYSA-N 247.685 2.784 0 50 BFAA CC(C)(C)N1CCN(C(C)(C)C)[PH]1=O 45028211 NWPICSWRPYISGA-UHFFFAOYSA-N 218.281 2.591 0 50 BFAA in-vitro C[C@](O)(CNC1CCCCC1)c1ccccc1 52097086 CTVQEDNSZFUDON-HNNXBMFYSA-N 233.355 2.816 0 50 BFAA COC(C)(C)CCNc1cc(C(C)C)ncn1 95358836 XPHRITLLFFECIR-UHFFFAOYSA-N 237.347 2.827 0 50 BFAA O=C(c1ccoc1)N1CC[C@H](c2ccccc2)C1 121579766 BPVBAEFUTDGHGF-ZDUSSCGKSA-N 241.290 2.909 0 50 BFAA CC(C)CCc1cc(NC(=O)c2ccc[nH]2)n[nH]1 390835243 HNDFKFCTQLIIBY-UHFFFAOYSA-N 246.314 2.579 0 50 BFAA CC[C@@]1(O)CCCN(Cc2ccc(Cl)o2)C1 639385018 MPIKUVKIEHZCTF-GFCCVEGCSA-N 243.734 2.670 0 50 BFAA Cc1cccc([C@]2(O)C[C@@H](C)N(C)C[C@H]2C)c1 823750114 NQXBVFUTBSOOME-NFAWXSAZSA-N 233.355 2.543 0 50 BFAA O=C(Nc1ccc(O)cc1)C1CCCCC1 409053 SPELRQCTCINJTP-UHFFFAOYSA-N 219.284 2.911 0 50 BFAA in-vitro Sc1nnc(-c2ccccc2Cl)o1 2474116 AKCRXJLXQXIAPA-UHFFFAOYSA-N 212.661 2.679 0 50 BFAA in-vitro C[C@H](CCc1ccccc1)NC[C@@H]1CCCO1 2499019 MCHGAQOKJAJLPN-HIFRSBDPSA-N 233.355 2.776 0 50 BFAA Cc1cc(C(=O)O)c(-n2cccc2)s1 3844220 GHQHUPKIJXQWKT-UHFFFAOYSA-N 207.254 2.545 0 50 BFAA biogenic,in-vitro CCCCN(C)Cc1ccccc1OC 4689319 KQHYEOPHESUBGY-UHFFFAOYSA-N 207.317 2.927 0 50 BFAA CN(C)C[C@H]1C[C@H](C(C)(C)C)CCC1=O 4808554 GBQVZNKFIVRWDH-GHMZBOCLSA-N 211.349 2.580 0 50 BFAA O=C(NC1CC1)c1ccc2ccccc2c1 6433384 BLZTZXANILMOFM-UHFFFAOYSA-N 211.264 2.732 0 50 BFAA CC(C)(C)c1ccc2ncc(C(=O)O)c(O)c2c1 35731175 HZDOTDHRGIDSHM-UHFFFAOYSA-N 245.278 2.936 0 50 BFAA Cc1ccc(N)c(Br)c1Cl 36421022 AANFZIRAVKGZGG-UHFFFAOYSA-N 220.497 2.993 0 50 BFAA CC[C@@H](NC(=O)C(C)C)c1ccc(OC)cc1 70242466 FUVMUVCUKJPQMP-CYBMUJFWSA-N 235.327 2.919 0 50 BFAA CCOc1ccc(CCCNC(=O)C(C)C)cc1 72119301 PRGYJFLCAONYIF-UHFFFAOYSA-N 249.354 2.790 0 50 BFAA CCN[C@]1(c2cccc(OC)c2)CCCCC1=O 77302148 LPKTWLVEGBNOOX-HNNXBMFYSA-N 247.338 2.643 0 50 BFAA in-vitro Cc1cncc(Br)c1OC(F)F 263625160 XHDNWFAWCKFHOT-UHFFFAOYSA-N 238.031 2.754 0 50 BFAA Cc1ncccc1CNc1cncc(F)c1 335600005 PFPGHSXBYREXCU-UHFFFAOYSA-N 217.247 2.536 0 50 BFAA C[C@H]([C@@H](O)c1ccc(F)cc1)N1CCCCC1 584620880 LSJZIYPSKQUOEB-BXUZGUMPSA-N 237.318 2.734 0 50 BFAA CC12CC(CN1C(=O)C[C@H]1C[C@H]3CC[C@H]1C3)C2 585113930 AGODUTIOJGLPIA-AWROSEJGSA-N 233.355 2.824 0 50 BFAA COc1cccc(C)c1C(=O)N1C[C@H]2CC[C@H]1C2 824792623 MXOPYNWLIRJQPH-RYUDHWBXSA-N 245.322 2.628 0 50 BFAA C[C@]12C[C@H]1CN(c1ncnc3sccc13)C2 1772811215 RDPUDZACYLQWDT-QPUJVOFHSA-N 231.324 2.538 0 50 BFAA CC(C)N(C(=O)c1ccccc1)C(C)C 28308 UYXMMJPYFKRKKM-UHFFFAOYSA-N 205.301 2.946 0 50 BFAA in-vitro O=C1CS[C@@H]2N1CCCC21CCCCC1 78972 ISJMFHPGCYLYSR-NSHDSACASA-N 225.357 2.632 0 50 BFAA biogenic O=c1c(Cl)c(Cl)cnn1-c1ccccc1 119689 VKWCOHVAHQOJGU-UHFFFAOYSA-N 241.077 2.539 0 50 BFAA in-vitro O=C(CC[C@@H]1CCCNC1)c1ccccc1 336760 XQQFVUWNBQFWRH-LBPRGKRZSA-N 217.312 2.649 0 50 BFAA Cc1ccc(CNC(=O)NC(C)(C)C)cc1C 398404 GBKCHZQOQVTAOQ-UHFFFAOYSA-N 234.343 2.901 0 50 BFAA O=C(Nc1cccc(F)c1)Nc1nccs1 400174 NBSHVHOLKOPBQC-UHFFFAOYSA-N 237.259 2.926 0 50 BFAA Cc1cc(C(=O)Nc2ccccn2)cs1 1053793 HKBWMXIGJSJCKW-UHFFFAOYSA-N 218.281 2.704 0 50 BFAA C/C(=C/C(=O)OCc1ccccc1)N1CCCC1 1400849 LTYWVCMTDSNMKS-QBFSEMIESA-N 245.322 2.729 0 50 BFAA COC(=O)N1CCC(Cc2ccccc2)CC1 1456882 VRESKQKAUDDRQK-UHFFFAOYSA-N 233.311 2.708 0 50 BFAA O=Cc1c(F)cc(Br)cc1F 2243320 CZGVAISJIQNQEJ-UHFFFAOYSA-N 221.000 2.540 0 50 BFAA in-vitro CCCCCC[C@@H](C(C)=O)C(=O)OCC 4582597 BRGRZPQESQKATK-NSHDSACASA-N 214.305 2.725 0 50 BFAA COC(=O)[C@](O)(c1ccccc1)C1CCCCC1 5997429 SPTZOODMHSABLY-HNNXBMFYSA-N 248.322 2.628 0 50 BFAA in-vitro CCN(CC)CCNc1nccc2ccccc12 8575952 NRYACPNBQVMNGB-UHFFFAOYSA-N 243.354 2.989 0 50 BFAA Cc1ccccc1-n1ncc([C@H](C)N)c1C 20216619 ZEWHVOPBLHOFEU-JTQLQIEISA-N 215.300 2.509 0 50 BFAA CCCNC(=O)[C@@H](C)Oc1cccc(C)c1C 20489241 MOWQGYZFZCDXDT-GFCCVEGCSA-N 235.327 2.597 0 50 BFAA CC(C)(C)OC(=O)N1CC2(C1)CC(F)(F)C2 72194316 NABSFZFNNHRMOM-UHFFFAOYSA-N 233.258 2.653 0 50 BFAA in-vitro COC(=O)CCc1ccc(C(F)(F)F)cc1 97756709 RGHLKPRLAGPYRD-UHFFFAOYSA-N 232.201 2.811 0 50 BFAA C[Si](C)(C)CCS(=O)(=O)c1ccccc1 169837858 IVPQHMQOYMNETK-UHFFFAOYSA-N 242.416 2.799 0 50 BFAA Cc1noc(C2CC2)c1NC(=O)C1[C@H]2CCC[C@H]12 184069287 YTXBJRNALRKATO-UWVGGRQHSA-N 246.310 2.845 0 50 BFAA CC(C)C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 242914651 GVFIIUBNCJRDSI-BJDJZHNGSA-N 209.333 2.583 0 50 BFAA C[C@@H](NC(=O)C(C)(C)C)[C@H]1C[C@H]2CC[C@H]1C2 243584774 OQNMQGCHGSHCCA-NOOOWODRSA-N 223.360 2.973 0 50 BFAA Cc1cccc(COc2cc(C)cnn2)c1 253426093 FSDUPCBPNANXEH-UHFFFAOYSA-N 214.268 2.672 0 50 BFAA CC1(C)CN(CCCCCF)CCCO1 328586724 KSYGTMFTMHMRPD-UHFFFAOYSA-N 217.328 2.627 0 50 BFAA CC(C(=O)N[C@@H]1CCOC(C)(C)C1)=C1CCC1 408519513 MNQZFVFACNBNTE-GFCCVEGCSA-N 237.343 2.561 0 50 BFAA Cc1cc2c(c(-c3ccoc3)c1)CCNC2=O 1875356506 OXYOQCRPCVEMFB-UHFFFAOYSA-N 227.263 2.541 0 50 BFAA O=c1oc(-c2cccs2)nc2ccccc12 31615 VGHJEBXWEGFRGH-UHFFFAOYSA-N 229.260 2.917 0 50 BFAA in-vitro CC(C)(O)C(C)(C)[C@@H](O)c1ccccc1 199330 KZSPLEBVHZHOGH-NSHDSACASA-N 208.301 2.517 0 50 BFAA O=C(Nc1ccccc1)NC1CCCC1 247337 KODZEKGCUPWVLU-UHFFFAOYSA-N 204.273 2.751 0 50 BFAA Cc1nc2ncccc2cc1Br 333024 OCYPSDGQJOJRSB-UHFFFAOYSA-N 223.073 2.701 0 50 BFAA Cc1cc(-c2cc(Cl)ccc2N)[nH]n1 397202 FCMRUSITKXDXCW-UHFFFAOYSA-N 207.664 2.621 0 50 BFAA Fc1cc(F)c(Br)cc1F 407105 DVTULTINXNWGJY-UHFFFAOYSA-N 210.980 2.866 0 50 BFAA CCCCC[C@H]1C(=O)CC[C@H]1CC(=O)OC 2077819 KVWWIYGFBYDJQC-WDEREUQCSA-N 226.316 2.725 0 50 BFAA biogenic,in-vitro COc1ccc(-c2cc(C(=O)O)c(C)o2)cc1 2548389 AQZLIAGPNPFISZ-UHFFFAOYSA-N 232.235 2.962 0 50 BFAA NCc1nc(-c2ccc(Cl)cc2)cs1 3709633 DSXWLWCFGZLTAR-UHFFFAOYSA-N 224.716 2.922 0 50 BFAA in-vitro CC(C)n1cc(CCN)c2ccccc21 4600317 ARHHZLRATAUACE-UHFFFAOYSA-N 202.301 2.723 0 50 BFAA in-vitro CCCCC(=O)Nc1noc2ccccc12 9667584 WMNKJXHDIWPOJC-UHFFFAOYSA-N 218.256 2.957 0 50 BFAA Cc1ccnc(NCNc2cc(C)ccn2)c1 15782080 CONPXCQZLJPUMF-UHFFFAOYSA-N 228.299 2.575 0 50 BFAA CC(=O)N[C@H](CC(C)C)c1ccccc1 20490575 YEZMVKXWLNSARK-CYBMUJFWSA-N 205.301 2.910 0 50 BFAA CCOC(=O)c1ccc(C)c(Br)c1 21303565 ILZQYNXOOLMOGA-UHFFFAOYSA-N 243.100 2.934 0 50 BFAA in-vitro CCc1ccc(CN(C)C2CCN(C)CC2)cc1 22591114 CGPBUKLAEQLCEN-UHFFFAOYSA-N 246.398 2.775 0 50 BFAA C[C@H]1C(=O)Nc2ccc(Br)cc21 32015136 PKOFFHLFYJVUMQ-RXMQYKEDSA-N 226.073 2.505 0 50 BFAA in-vitro OCc1cccc(-c2cnc3ccccc3n2)c1 32561078 WKGLIDBCAFOQSW-UHFFFAOYSA-N 236.274 2.789 0 50 BFAA O=C(O)[C@]12CC=CC[C@H]1CCc1ccccc12 44126374 VPIKHFWERATWBS-SWLSCSKDSA-N 228.291 2.921 0 50 BFAA Nc1c(Cl)cccc1C(=O)C(F)(F)F 95828972 MIKIJQNXZUJDAY-UHFFFAOYSA-N 223.581 2.667 0 50 BFAA in-vitro CCN[C@@H](C)Cc1ccc2occc2c1 96032885 ZBZDDOARNPAMSP-JTQLQIEISA-N 203.285 2.973 0 50 BFAA in-vitro O=C(O)c1cccc(C2(C(F)(F)F)N=N2)c1 135927676 CELVQYDOLLNPMB-UHFFFAOYSA-N 230.145 2.566 0 50 BFAA Oc1cccc2c1CCN2C[C@H]1C[C@H]2C=C[C@H]1C2 170599995 ABVQJHGQKPSJJP-RWMBFGLXSA-N 241.334 2.967 0 50 BFAA Cc1ccc([C@H]2CCCN2CCC(=O)O)cc1C 237792289 NVIFSUVBTMEGCJ-CQSZACIVSA-N 247.338 2.915 0 50 BFAA CCCC(CCC)N[C@@H]1C[C@@H](OCC)[C@H]1OC 253370981 YZAUNVRPQYKWAG-MCIONIFRSA-N 243.391 2.737 0 50 BFAA Cc1n[nH]cc1-c1ccc(Br)nc1 725271497 GVZYHXCWTUGGCE-UHFFFAOYSA-N 238.088 2.543 0 50 BFAA CC(C)[C@H]1CCC(=O)C[C@H]1N(C)C(C)C 725363166 YXFVJGASGNFKOF-CHWSQXEVSA-N 211.349 2.720 0 50 BFAA C=CC(=O)N1CC[C@]1(C)C1CCCCC1 1335866231 HFKXOUHAJUGMHD-CYBMUJFWSA-N 207.317 2.744 0 50 BFAA C=CC(=O)NC[C@]1(c2ccccc2)CC1(C)C 1336682831 XPEYHSQRVVAUMJ-HNNXBMFYSA-N 229.323 2.657 0 50 BFAA Cc1cc(-c2cc(C)c(CC(=O)O)c(C)c2)on1 1875296863 SEKWZSSYNPJSAP-UHFFFAOYSA-N 245.278 2.894 0 50 BFAA O=C(O)c1cc(-c2ccccc2Cl)no1 167405 VKVLLEXFHZRIFS-UHFFFAOYSA-N 223.615 2.693 0 50 BFAA in-vitro O=C(NC1CCCC1)[C@@H]1C[C@H]1c1ccccc1 182976 WNIHXHZBQPHZTC-UONOGXRCSA-N 229.323 2.849 0 50 BFAA C/C=C(\C)CN(C)CCc1ccccn1 215794 LYAKXFMRGVRFNM-UUILKARUSA-N 204.317 2.522 0 50 BFAA Cc1ccccc1CNC(=O)c1ccco1 382635 YUDZVIOPZPKECR-UHFFFAOYSA-N 215.252 2.518 0 50 BFAA CNC(=O)Nc1cc(Cl)cc(Cl)c1 397824 LGCNJJMAZHDEJH-UHFFFAOYSA-N 219.071 2.745 0 50 BFAA CCNC(=O)CSc1ccc(Cl)cc1 443800 SNXXCZAITWNLOB-UHFFFAOYSA-N 229.732 2.568 0 50 BFAA CC(C)Sc1nc2ccc(N)cc2[nH]1 1057583 GZMNAMUKRMPWRD-UHFFFAOYSA-N 207.302 2.646 0 50 BFAA O[C@@H]1CCCCc2ccc(cc2)CCCC[C@H]1O 4795137 JXIHXAVCJYWKDJ-HZPDHXFCSA-N 248.366 2.848 0 50 BFAA CC(C)Oc1ccccc1-c1nnc(N)s1 4997805 SDKMHCZYDJKJAB-UHFFFAOYSA-N 235.312 2.575 0 50 BFAA CCOc1cccc(OCCNC2CCCC2)c1 5013303 KOCCAFDNGDGVCD-UHFFFAOYSA-N 249.354 2.996 0 50 BFAA O=C(Nc1ccon1)c1ccc(F)cc1Cl 6742640 KNRLDDQORUXKJD-UHFFFAOYSA-N 240.621 2.719 0 50 BFAA CN[C@]1(c2ccccc2Cl)CCCCC1=O 35999642 YQEZLKZALYSWHR-ZDUSSCGKSA-N 237.730 2.898 0 50 BFAA fda Clc1ccc2c(Br)c[nH]c2n1 44712805 RGRPIZFOVAXYRU-UHFFFAOYSA-N 231.480 2.979 0 50 BFAA in-vitro CCNC(C)(C)C(=O)c1ccccc1C 96027143 BCZSKKCKXLGDDB-UHFFFAOYSA-N 205.301 2.566 0 50 BFAA O=C(Cc1cccs1)N[C@@H]1C[C@H]2CC[C@H]1C2 107042003 ZBVDVQBTTJYKPL-JBLDHEPKSA-N 235.352 2.595 0 50 BFAA CC[C@]1(C)Oc2ccc(NC(C)=O)cc2O1 135267842 NDPMKSQIRQXRCF-GFCCVEGCSA-N 221.256 2.542 0 50 BFAA Clc1cc(Cl)n2ncc(Cl)c2n1 137932460 JVSMXTZZTBGQPE-UHFFFAOYSA-N 222.462 2.690 0 50 BFAA Cc1coc(-c2cccc(NC(=O)C3CC3)c2)n1 154696940 SULMYTFYLZBZKV-UHFFFAOYSA-N 242.278 2.999 0 50 BFAA CCCOc1cc(O)cc(Cl)c1F 261494008 NYMVVSWAFVQLLN-UHFFFAOYSA-N 204.628 2.974 0 50 BFAA FC1(F)CCC(N[C@@H]2CCSC2)CC1 307462044 GCPJBGMSKDZDCO-SECBINFHSA-N 221.316 2.659 0 50 BFAA CC1CCN(C(=O)[C@@H](C)CC(F)F)CC1 336282213 HFLSGZIIJJILPE-VIFPVBQESA-N 219.275 2.536 0 50 BFAA C=CC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C 848979434 WMKVOZSWMDJNSZ-PWSUYJOCSA-N 233.286 2.716 0 50 BFAA C=CC(=O)NC1(c2ccc(F)cc2)CCC1 1262556076 WRSPHGUQWUGBQY-UHFFFAOYSA-N 219.259 2.507 0 50 BFAA Cc1ccc([C@H](C)Nc2nc(C)cc(C)n2)cn1 1704298215 HMKYVUUJRYHOHC-LBPRGKRZSA-N 242.326 2.970 0 50 BFAA CN(Cc1ccnc2ccccc12)C(=O)C1CC1 2325768095 HIIZJWMAIMCPPO-UHFFFAOYSA-N 240.306 2.603 0 50 BFAA O=C1CCCN1c1cccc(C(F)(F)F)c1 83154 LAJKVKMHNNEDGG-UHFFFAOYSA-N 229.201 2.832 0 50 BFAA O=C1CCCN1c1ccc(Br)cc1 155729 YINFEFUSAQRZGG-UHFFFAOYSA-N 240.100 2.576 0 50 BFAA in-vitro CC(=O)c1cc(Cl)cc(Cl)c1O 156199 CJFYGRLJDKWMDI-UHFFFAOYSA-N 205.040 2.902 0 50 BFAA in-vitro Clc1ccc2nnc(Nc3ccccc3)n2n1 1388549 WZEPDOAGXYQXBK-UHFFFAOYSA-N 245.673 2.521 0 50 BFAA O=C(CCC1CCCC1)Nc1ccon1 2769898 RHWSWQMJYVSUMK-UHFFFAOYSA-N 208.261 2.584 0 50 BFAA O=C1N[C@@H](c2ccc(F)cc2)Nc2ccccc21 5338549 TVPPBWCYGUMJAW-ZDUSSCGKSA-N 242.253 2.680 0 50 BFAA Cc1ccccc1-n1ncc([C@@H](C)N)c1C 20216618 ZEWHVOPBLHOFEU-SNVBAGLBSA-N 215.300 2.509 0 50 BFAA COc1ccc(C(=O)c2ccccc2N)cc1 32015322 FLORUWDSYNSEAH-UHFFFAOYSA-N 227.263 2.508 0 50 BFAA in-vitro CCOC(=O)C(F)(F)c1cc(C)cc(C)c1 52232574 ZBVWSEHPRHFLOP-UHFFFAOYSA-N 228.238 2.958 0 50 BFAA CCOC(=O)C(=O)c1cccc(Cl)c1Cl 75865371 AHXVZWLBSUWYJX-UHFFFAOYSA-N 247.077 2.739 0 50 BFAA O=C(O)CCc1ccc(Br)c(F)c1 84567019 QOMIQOAKYSTKEF-UHFFFAOYSA-N 247.063 2.605 0 50 BFAA O=[N+]([O-])c1cc(Br)cc(CF)c1 167323852 STZJGAGABSRWHG-UHFFFAOYSA-N 234.024 2.827 0 50 BFAA CC(C)OCCCC(=O)N1CCCCC[C@H]1C 170594135 DRYVZGRUNQADNN-CYBMUJFWSA-N 241.375 2.983 0 50 BFAA O=C(O)Cn1c(C2CCC2)nc2cc(F)ccc21 255187970 HZGAWROFRIIEME-UHFFFAOYSA-N 248.257 2.528 0 50 BFAA CS[C@@H]1CCCC[C@@H]1N[C@H]1C[C@H]2CC[C@H]1O2 309862395 NCXKYDUSDPHSGW-KSSYENDESA-N 241.400 2.570 0 50 BFAA CCCc1nc(O)cc(-c2ccc(C)o2)n1 710210950 UMOAPEUAKXFOIK-UHFFFAOYSA-N 218.256 2.703 0 50 BFAA O=C(c1cnc(Cl)cc1Cl)C1CC1 725328051 OMMXTUPNMSVQIP-UHFFFAOYSA-N 216.067 2.981 0 50 BFAA CCCO[C@H]1CCCN(c2ccncc2F)C1 1506416018 CUBATWUROCBYSS-NSHDSACASA-N 238.306 2.616 0 50 BFAA O=C(c1cc(F)c(F)cc1Cl)n1cccn1 191569 YRDUVLMCSBYOHB-UHFFFAOYSA-N 242.612 2.503 0 50 BFAA Cc1ccc(NC(=O)NCC(C)C)cc1 396889 KSPPBCMKVKJHSO-UHFFFAOYSA-N 206.289 2.773 0 50 BFAA Fc1ccc(S[C@H]2CCCNC2)cc1 2559474 PCNQVEIZFPSZNW-NSHDSACASA-N 211.305 2.670 0 50 BFAA in-vitro c1ccc(CCNCCOc2ccccc2)cc1 2823537 MROWHKRJXTVSGQ-UHFFFAOYSA-N 241.334 2.898 0 50 BFAA CC(C)CNC(=O)CSCc1ccccc1 2961968 SFPLNRZCIIZGDC-UHFFFAOYSA-N 237.368 2.692 0 50 BFAA CC(C)CC(=O)Nc1cc(F)cc(F)c1 4740670 IWAIZCLRODJNCE-UHFFFAOYSA-N 213.227 2.949 0 50 BFAA COc1cccc(OCCN2CCCCC2)c1 4989828 VJSGLTKTCHUXNB-UHFFFAOYSA-N 235.327 2.560 0 50 BFAA CC(C)C(=O)NCc1ccc(Cl)cc1 5384011 ZPYYPQTXBVZBLX-UHFFFAOYSA-N 211.692 2.612 0 50 BFAA CC(=O)Nc1nc(-c2cccc(F)c2)cs1 9952017 NKGZCFJDQHDSFC-UHFFFAOYSA-N 236.271 2.908 0 50 BFAA C[C@@H](CCc1ccc(O)cc1)NN1CCCCC1 23282483 ZSKXVNJNYHKUOH-ZDUSSCGKSA-N 248.370 2.704 0 50 BFAA Cc1ccsc1CNCc1ccncc1 54958171 LPLNPFBAAFFLSN-UHFFFAOYSA-N 218.325 2.741 0 50 BFAA CCOc1cccc(-c2ccccc2C(N)=O)c1 67743776 QMVMTFHDQRVGND-UHFFFAOYSA-N 241.290 2.851 0 50 BFAA Cc1nc(-c2ccc([S@@](=O)O)s2)cs1 201824361 KNDSENQOEPHTSA-UHFFFAOYSA-N 245.350 2.761 0 50 BFAA CC1(C)Cc2ccc(Br)cc2CN1 204657327 QVQBKQDGJKUEDP-UHFFFAOYSA-N 240.144 2.873 0 50 BFAA O=C(O)[C@@H]1[C@H]2CC[C@H]3[C@@H](CC[C@H]21)C3(Cl)Cl 242547721 KTMXBVDXHDBMDV-MTSMAUNKSA-N 249.137 2.927 0 50 BFAA in-vitro O=C(N[C@H]1CC12CCCC2)[C@H]1CC=CCC1 334140200 DBQILQGTCAYZSW-RYUDHWBXSA-N 219.328 2.792 0 50 BFAA COc1ccc(-c2c[nH]nc2C(C)C)c(OC)n1 426505764 KUQRARDSSGOBAD-UHFFFAOYSA-N 247.298 2.612 0 50 BFAA Oc1nncc(N2CCCC2)c1C1=CCCCC1 426739841 SIJRKDOCIUNJAR-UHFFFAOYSA-N 245.326 2.740 0 50 BFAA C[C@H](n1ccnc1-c1ccccc1)C1(O)CC1 1875250801 IBKOGWAKHFCOGT-NSHDSACASA-N 228.295 2.636 0 50 BFAA CCO[C@H](C)c1ccc(-c2cncc(N)n2)cc1 2100539538 MZLJMTLFIZDYBQ-SNVBAGLBSA-N 243.310 2.823 0 50 BFAA CC(=O)c1ccc(NC(=O)c2cccnc2)cc1 35842 YIWLVFFTMWIVIJ-UHFFFAOYSA-N 240.262 2.537 0 50 BFAA Nc1cc(Br)cc2cccnc12 97635 MFCPXRHDOOYWNO-UHFFFAOYSA-N 223.073 2.580 0 50 BFAA COc1ccc2c(c1)c1c3n2CCN[C@@H]3CCC1 245309 NJXIYXLRLVISPD-CYBMUJFWSA-N 242.322 2.631 0 50 BFAA biogenic O=C1CCC(C2CCC3(CC2)OCCO3)CC1 322457 ZNWLFTSPNBLXGL-UHFFFAOYSA-N 238.327 2.679 0 50 BFAA in-vitro COc1ccc(C(=O)Oc2ccc(O)cc2)cc1 392737 GVPRUTCPBVXLJT-UHFFFAOYSA-N 244.246 2.620 0 50 BFAA COc1ccccc1NC(=O)Oc1cccnc1 395167 QWOOHGHTNKPLSS-UHFFFAOYSA-N 244.250 2.701 0 50 BFAA Nc1nc2c(Br)cccc2s1 2455732 FVMCARDEQKVVIS-UHFFFAOYSA-N 229.102 2.641 0 50 BFAA in-vitro CCOc1cccc(OCCCNC(C)C)c1 3000784 NWQAPBDQXOFXAO-UHFFFAOYSA-N 237.343 2.852 0 50 BFAA Cc1cc(C)c2c(O)c(CN(C)C)c(C)nc2c1 8717402 DPZXDBRTTQAHKD-UHFFFAOYSA-N 244.338 2.927 0 50 BFAA O=C(c1ccc(Cl)cc1)c1c[nH]c(C(=O)O)c1 8729823 PSYVROHQCXUFNX-UHFFFAOYSA-N 249.653 2.597 0 50 BFAA C[C@H](CCN1CCOCC1)c1ccccc1 19633726 NLMUTNTVABGYTP-CYBMUJFWSA-N 219.328 2.512 0 50 BFAA Brc1c[nH]c(-c2ccccc2)n1 22126060 IXVCTTCVYGDFSO-UHFFFAOYSA-N 223.073 2.839 0 50 BFAA Cc1ncccc1Oc1ncnc(Cl)c1C 40450066 SLKKQWWYTQOOHM-UHFFFAOYSA-N 235.674 2.934 0 50 BFAA Fc1cnc(Cl)nc1N1CCCCCC1 70461077 OJIIYIYZHXQQPS-UHFFFAOYSA-N 229.686 2.650 0 50 BFAA NC1(c2ccccc2C(F)(F)F)CC1 75934183 XEGCOTWTYNWSJI-UHFFFAOYSA-N 201.191 2.653 0 50 BFAA CC(F)(F)c1ccc(Br)nc1 77011098 LWABLOQAGMPPFX-UHFFFAOYSA-N 222.032 2.956 0 50 BFAA in-vitro CCCCn1c(C)nc2cc(C(=O)OC)ccc21 95496063 LDLPBTPRVZISRM-UHFFFAOYSA-N 246.310 2.931 0 50 BFAA O=C(c1cccc(Br)c1)C(F)F 95704963 HZELFBPCXLKNMP-UHFFFAOYSA-N 235.027 2.897 0 50 BFAA Cc1ccc(C)c(-c2nc([C@H]3CCOC3)no2)c1 96162418 UYQKERXORMFIAN-NSHDSACASA-N 244.294 2.857 0 50 BFAA CC(=O)Nc1ccc(CC(F)(F)F)cc1 127115830 XLYBPJPHBJNNIC-UHFFFAOYSA-N 217.190 2.750 0 50 BFAA CC[C@@](C)(COCc1ccccc1)C(=O)O 141328521 QIZZVTODBDLUHE-ZDUSSCGKSA-N 222.284 2.704 0 50 BFAA Cc1nsc(NCC[Si](C)(C)C)n1 170619607 BGZFRUZSKQCBBM-UHFFFAOYSA-N 215.398 2.597 0 50 BFAA CCOC(=O)/C=C(/C)c1ccccc1C 217925355 RPLMFWLMSODWAB-LUAWRHEFSA-N 204.269 2.961 0 50 BFAA CCC[C@H]([C@H](O)c1ccccc1)N1CCCC1 248027509 MSYYSRJQHJQEQA-HUUCEWRRSA-N 233.355 2.985 0 50 BFAA in-vitro Fc1cccc(Cc2nc(C3CC3)no2)c1 264590774 JGAWGWZPBCYILA-UHFFFAOYSA-N 218.231 2.677 0 50 BFAA COC[C@H]1CCCCN1Cc1cccc(F)c1 449761480 XZFPEPHACYJFGE-CQSZACIVSA-N 237.318 2.827 0 50 BFAA Oc1ncccc1-c1cc(F)c(F)c(F)c1 534585490 FZRSUDJNLMYGCL-UHFFFAOYSA-N 225.169 2.872 0 50 BFAA Cc1nc(-c2cnn(C(C)C)c2)n(C(C)(C)C)n1 670464110 UOPJTGZOGZEWNY-UHFFFAOYSA-N 247.346 2.786 0 50 BFAA O=C(N[C@H]1C=CCC1)c1ccc2ncccc2c1 1538481123 ZLAXEOZTEXCPND-ZDUSSCGKSA-N 238.290 2.683 0 50 BFAA c1coc(-c2nccn2CC2CCOCC2)c1 1875243927 DPBGYGOBYADSDJ-UHFFFAOYSA-N 232.283 2.570 0 50 BFAA c1cn(C2CCC2)c(-c2cnsc2)n1 1875246559 BLSJINKRASQOER-UHFFFAOYSA-N 205.286 2.732 0 50 BFAA Cc1cc(CN2CCCCC2)c(C)cc1O 333825 LUHGQTVKFBSTIH-UHFFFAOYSA-N 219.328 2.995 0 50 BFAA CC[C@@H]1CCCCN1C(=O)c1ccc(C)o1 476478 HYKHBSRNBBCIDT-LLVKDONJSA-N 221.300 2.993 0 50 BFAA c1ccc(CN2CCc3ccccc3C2)nc1 761405 CPWAIYZWEIILMD-UHFFFAOYSA-N 224.307 2.640 0 50 BFAA CC(C)C(=O)OC/C=C/c1ccccc1 1677801 KLKQSZIWHVEARN-RMKNXTFCSA-N 204.269 2.899 0 50 BFAA OCCSc1cccc(C(F)(F)F)c1 2511115 UCUJSPOEXJGWEW-UHFFFAOYSA-N 222.231 2.790 0 50 BFAA CCCNC(=O)N[C@@H](C)c1cccs1 2987650 WQZXJOCLGLMHIZ-QMMMGPOBSA-N 212.318 2.518 0 50 BFAA CCCCN(CC)C(=O)c1ccc2c(c1)OCO2 2988251 VVAVMZPKEUXHMO-UHFFFAOYSA-N 249.310 2.678 0 50 BFAA CC(C)c1ccc(-c2cc(N)n[nH]2)cc1 4234704 KGXUXWIBKBBFHN-UHFFFAOYSA-N 201.273 2.782 0 50 BFAA in-vitro O[C@@H](c1ccccc1)c1ccc(F)cc1 4234986 MZQRXCOFRPWTPC-ZDUSSCGKSA-N 202.228 2.907 0 50 BFAA O=C(O)Cc1csc(-c2ccccc2F)n1 4993664 PWDGGEJDPBDIAY-UHFFFAOYSA-N 237.255 2.576 0 50 BFAA in-vitro CCNC(=O)C(C)(C)Oc1ccc(Cl)cc1 6311750 HXPZSBRFLOQRDP-UHFFFAOYSA-N 241.718 2.634 0 50 BFAA O=C(O)c1ccc(-c2nccs2)cc1 12370248 NCAPRAZCSUNRLM-UHFFFAOYSA-N 205.238 2.508 0 50 BFAA in-vitro CCOC(=O)c1ccc(Br)cc1C 36830581 UWDMTHJPTMJZNG-UHFFFAOYSA-N 243.100 2.934 0 50 BFAA in-vitro CCOC(=O)c1ncoc1CCc1ccccc1 43304225 WTXWMJAIOMVHKT-UHFFFAOYSA-N 245.278 2.637 0 50 BFAA Cc1cccn2c(F)c(C(F)(F)F)nc12 65363368 UJOFYZKFQFOFPD-UHFFFAOYSA-N 218.153 2.801 0 50 BFAA OCc1c(Cl)ccc(Br)c1F 75925975 UWFMYMWZKSJVRV-UHFFFAOYSA-N 239.471 2.734 0 50 BFAA CC(=O)c1cc(Br)c(C)cc1O 95627630 ZBVIRUUBEJLZNE-UHFFFAOYSA-N 229.073 2.666 0 50 BFAA in-vitro Cc1cccc(C(=O)CC(=O)C(F)(F)F)c1 100072856 VOFWLZQTWRLBTR-UHFFFAOYSA-N 230.185 2.699 0 50 BFAA in-vitro OC[C@H](CNC[C@H]1CC=CCC1)c1ccccc1 124357728 LDQOMOZTOHOUJX-HOCLYGCPSA-N 245.366 2.708 0 50 BFAA Cc1cc(C2CCC2)nc(C2CCNCC2)n1 259285401 MHTBNDHKRFVXGT-UHFFFAOYSA-N 231.343 2.520 0 50 BFAA COC(=O)/C=C1/C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 757190889 GFXDYPFXBWSGTH-DRGJYLGCSA-N 206.285 2.542 0 50 BFAA Cc1cc(CN2CCCC2)cc(C)c1O 152736 UXSWPAMSJIBWPT-UHFFFAOYSA-N 205.301 2.605 0 50 BFAA Cc1ccc(NC(=O)NCc2cccnc2)cc1 395485 ZFFOKMWFKQIHKR-UHFFFAOYSA-N 241.294 2.712 0 50 BFAA Nc1ccc2c(c1)ncn2Cc1ccccc1 808029 FCQCJIKCEPOTMJ-UHFFFAOYSA-N 223.279 2.667 0 50 BFAA in-vitro CCOc1ccc([C@@H](C)NC(=O)C2CC2)cc1 1172738 OPOROGBIKSJXGE-SNVBAGLBSA-N 233.311 2.673 0 50 BFAA NC(=O)c1cc2ccccc2n1-c1ccccc1 6715830 SHVVLJKMYJRHOL-UHFFFAOYSA-N 236.274 2.729 0 50 BFAA CC(=O)c1ccc(F)c(OC(F)(F)F)c1 12359300 ATZQRDFMSBKRCC-UHFFFAOYSA-N 222.137 2.927 0 50 BFAA NC(=S)Nc1c(Cl)cccc1Cl 13657236 KUQHRGMPBWZVQR-UHFFFAOYSA-N 221.112 2.649 0 50 BFAA in-vitro C[C@H](CCc1ccc(O)cc1)NN1CCCCC1 23282485 ZSKXVNJNYHKUOH-CYBMUJFWSA-N 248.370 2.704 0 50 BFAA C[C@@H]1CN(C)[C@H](C)C[C@H]1NCCc1ccccc1 33936154 KPRIEJCCTJJFOU-IIAWOOMASA-N 246.398 2.547 0 50 BFAA CCC[C@@H](C)NC(=O)c1cccc(F)c1 42141271 ZMFXSLZCTHGXQQ-SECBINFHSA-N 209.264 2.744 0 50 BFAA CC(C)N(Cc1nccn1C)C[C@H]1CC=CCC1 65374673 PDSATEZNDDGXPV-AWEZNQCLSA-N 247.386 2.987 0 50 BFAA Clc1ccc2nc(Cl)nc(Cl)c2n1 66054762 KPUMPJIRBVOFGW-UHFFFAOYSA-N 234.473 2.985 0 50 BFAA in-vitro C[C@@H](Nc1ccc2cc[nH]c2n1)c1ccncn1 72165615 PVMALLKLEGGDKU-SECBINFHSA-N 239.282 2.526 0 50 BFAA CC(C)Oc1cccc(F)c1-c1cc(N)ncn1 97117094 ODNZHCCPFHXBAS-UHFFFAOYSA-N 247.273 2.652 0 50 BFAA COc1cccc(-c2cncc(C=O)c2)c1OC 135065120 LVVZUUHTGBPPFT-UHFFFAOYSA-N 243.262 2.578 0 50 BFAA CC(C)(C)OC(=O)N[C@H]1C[C@@H]1c1ccc(O)cc1 149019219 UHGRVKQMNJTTRU-NEPJUHHUSA-N 249.310 2.773 0 50 BFAA C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C(=O)O)o1 238853084 IHYYDFPEYUTJFS-RYPBNFRJSA-N 206.241 2.591 0 50 BFAA in-vitro C[C@H](CCc1ccccc1)NC(=O)[C@@H]1C[C@H]1C 239377877 ODKGPKDUWUIWBK-YRGRVCCFSA-N 231.339 2.780 0 50 BFAA O=C1CN(c2ccc(F)cc2)c2ccccc2N1 259233885 HLODISACBOFSFN-UHFFFAOYSA-N 242.253 2.916 0 50 BFAA Oc1ccc(F)c([C@H](O)c2cccc(F)c2)c1 261493751 IOYPEJWEABBJCA-CYBMUJFWSA-N 236.217 2.752 0 50 BFAA COc1cc(O)c(Cl)cc1Br 261494021 OCBTVVTVZLPKBI-UHFFFAOYSA-N 237.480 2.817 0 50 BFAA c1cnc(NC(C2CCC2)C2CCC2)cn1 286565043 PTAGBGSTZHQCNN-UHFFFAOYSA-N 217.316 2.857 0 50 BFAA CCC[C@H]1CCC[C@H]1C(=O)NCc1c[nH]nc1C 294547395 YEBSITSIMTXYOW-WCQYABFASA-N 249.358 2.551 0 50 BFAA CC(C)(C)CCN1CCO[C@H](C2CC2)C1 368886410 CISSAYRZLNPEOL-LBPRGKRZSA-N 211.349 2.533 0 50 BFAA CCCc1nnc(-c2ccc(N(C)C)nc2)s1 426574789 RYGARFDEEKMBEA-UHFFFAOYSA-N 248.355 2.619 0 50 BFAA COCCNc1cncc(C=C2CCC2)c1 1616037903 CNIGXJKGITTXFC-UHFFFAOYSA-N 218.300 2.707 0 50 BFAA O=C(NCC[C@H]1C[C@H]2CC[C@H]1C2)NC12CC(C1)C2 2325756802 DAUQPTGGHACZLP-AQAWDFJWSA-N 248.370 2.664 0 50 BFAA O=C([C@H](F)C1CC1)N1CCCOc2ccccc21 2325806528 KKSIXSRCGXIWPR-CYBMUJFWSA-N 249.285 2.550 0 50 BFAA CC(C)[C@]1(O)c2ccccc2-c2ncccc21 88195 VQGAKSMYTWYVAJ-HNNXBMFYSA-N 225.291 2.954 0 50 BFAA CCOc1ccc(Cc2nnc(NC)s2)cc1 169069 NHXJFWDJOUOINP-UHFFFAOYSA-N 249.339 2.569 0 50 BFAA CCC(=O)Nc1cccc(Br)c1 316151 KXAFJAVWDBLEAM-UHFFFAOYSA-N 228.089 2.798 0 50 BFAA c1cc2c3c(cccc3c1)-c1nc3nonc3nc1-2 1508817 JNPLXKYSOXVHAC-UHFFFAOYSA-N 246.229 2.813 0 50 BFAA C[C@H](OC(=O)Cc1ccccc1)C(F)(F)F 2172758 WHGKRESXPNJCGE-QMMMGPOBSA-N 232.201 2.723 0 50 BFAA O=C(c1c[nH]c2ccccc12)C(F)(F)F 2260811 LCMDCXWSHDFQKP-UHFFFAOYSA-N 213.158 2.913 0 50 BFAA in-vitro Cc1[nH]c2c(C)cc(Cl)cc2c1CCN 2582755 QYBUWDIXTWNBFL-UHFFFAOYSA-N 222.719 2.939 0 50 BFAA in-vitro O=C(NCc1ccccc1)c1cccc(F)c1F 2864482 CLMTYUMUFAWHQO-UHFFFAOYSA-N 247.244 2.895 0 50 BFAA O=C(O)[C@H](C[C@@H]1CCCS1)C(F)(F)F 4291200 WZMDICHYPNRSDP-WDSKDSINSA-N 228.235 2.535 0 50 BFAA O[C@@H](COc1ccccc1)c1ccccc1 14651612 GSBICRJXEDSPTE-AWEZNQCLSA-N 214.264 2.799 0 50 BFAA in-vitro CCOC(=O)c1ccc(C(F)(F)F)nc1C 19738642 VWUMOTRXCZMICA-UHFFFAOYSA-N 233.189 2.586 0 50 BFAA in-vitro O=C(Cc1ccncc1)c1ccc(F)cc1 23529022 BYPVQCWVMWIUDB-UHFFFAOYSA-N 215.227 2.646 0 50 BFAA C[C@@H](CNC(=O)C(C)(C)C)c1ccccc1 43700782 RDAVLXLHEHATML-NSHDSACASA-N 219.328 2.952 0 50 BFAA C1CCC(CN2CCC[C@]3(CCNC3)C2)CC1 72141616 PNLPASNFZZTOFD-OAHLLOKOSA-N 236.403 2.642 0 50 BFAA c1ccc2c(c1)N=C(N1CCCC1)CS2 102194383 UMHTXYOMQBFOBZ-UHFFFAOYSA-N 218.325 2.918 0 50 BFAA CC(=O)N1CCC[C@@](C)(c2ccccc2)C1 113215091 QEXPPLQKXWJTJR-CQSZACIVSA-N 217.312 2.587 0 50 BFAA O=Cc1sccc1-c1ccccc1C(=O)O 218620333 KBILOTPBQZILQI-UHFFFAOYSA-N 232.260 2.926 0 50 BFAA Fc1ccc2nc(Br)sc2n1 221288819 ZOLRAOZFJWKDJH-UHFFFAOYSA-N 233.065 2.593 0 50 BFAA CCN(CC)c1ncnc(Cl)c1Cl 238226847 MOKXCBGLHAOZTB-UHFFFAOYSA-N 220.103 2.630 0 50 BFAA CCSc1ncc(C(F)(F)F)cc1O 261493770 IXCRCLFQCWATBF-UHFFFAOYSA-N 223.219 2.918 0 50 BFAA C[C@H]1CC[C@H](C)N(c2ncnc3[nH]ccc23)C1 266426279 BUKPPXDFLRKBLN-UWVGGRQHSA-N 230.315 2.583 0 50 BFAA Cc1ccc(C(=O)N[C@H]2CC2(C)C)cc1F 343777435 UQYCMDWYYVTIIP-NSHDSACASA-N 221.275 2.662 0 50 BFAA CC1(CNc2ccc3occc3c2)COC1 864032064 CDLVMYLZSPAOOE-UHFFFAOYSA-N 217.268 2.881 0 50 BFAA C=CC(=O)NCc1cccc(OC(C)(C)C)c1 1120553618 GPEQIJBGPFSJPX-UHFFFAOYSA-N 233.311 2.666 0 50 BFAA Cc1nc(N2CCOC(C)(C)C2)ccc1Cl 1506423251 DVERLJXSMMWOHA-UHFFFAOYSA-N 240.734 2.659 0 50 BFAA CCC(CC)n1nccc1NC(=O)C1CCC1 1529100134 NWVDMRBPCAOPHK-UHFFFAOYSA-N 235.331 2.983 0 50 BFAA Fc1cccc(Cl)c1C1[N@]2CCCC[N@@]12 1857524881 IHRWHEYFRNMAMJ-GJZGRUSLSA-N 226.682 2.804 0 50 BFAA CC(C)C[C@@]1(C)OC[C@H](CN2CCCCC2)O1 312895 FCIRFJBRDJWJGX-KBPBESRZSA-N 241.375 2.650 0 50 BFAA COc1cccc2cc(C(=O)O)sc12 338835 QJWNYHKOXLTWOA-UHFFFAOYSA-N 208.238 2.608 0 50 BFAA in-vitro CC(=O)Nc1ccc(NC(C)(C)C)cc1 346000 CWSKZEFSILUNOK-UHFFFAOYSA-N 206.289 2.855 0 50 BFAA O=C(CCN1CCCCC1)Nc1ccccc1 365741 VQQGOXHLQOBMRC-UHFFFAOYSA-N 232.327 2.501 0 50 BFAA O=C(O)Cc1ccc(-c2ccccc2)o1 409411 BEJADIGQFSGSNS-UHFFFAOYSA-N 202.209 2.574 0 50 BFAA COc1ccccc1OCCCN1CCCC1 2497246 WHZLNTXNMADMTM-UHFFFAOYSA-N 235.327 2.560 0 50 BFAA FC(F)(F)c1cnc(Cl)nc1Cl 2580954 IDRUEHMBFUJKAK-UHFFFAOYSA-N 216.977 2.802 0 50 BFAA in-vitro CCCCCCOC(=O)[C@@H]1CN1C(C)(C)C 3194717 TZEBWZNLIOCPDF-ZSOXZCCMSA-N 227.348 2.593 0 50 BFAA CCNC(=S)Nc1ccccc1Cl 3997361 GYFGEIDLZZTMHJ-UHFFFAOYSA-N 214.721 2.646 0 50 BFAA N[C@@H](C(=O)O)c1ccc(Oc2ccccc2)cc1 4204134 MOHPYKSOEQKFBU-CYBMUJFWSA-N 243.262 2.563 0 50 BFAA CC[C@H](C)c1ncncc1Br 15021312 QXYSMMNJSYBORC-LURJTMIESA-N 215.094 2.753 0 50 BFAA in-vitro CO[C@H]1CCCC[C@H]1NC1CCCCC1 16667409 PUUBMYORYPUWEI-OLZOCXBDSA-N 211.349 2.866 0 50 BFAA CCCC(=O)Nc1ccc(C(=O)O)c(Cl)c1 20136517 NRSNBYOJHHYUTB-UHFFFAOYSA-N 241.674 2.777 0 50 BFAA C=CCOC(=O)/C=C(/C#N)Sc1ccccc1 43762785 OSIRKWRSXMJASV-XFXZXTDPSA-N 245.303 2.915 0 50 BFAA Cc1ccc(OCC(=O)NCCC(C)C)cc1 49535266 FLQZZSPQAMSPEI-UHFFFAOYSA-N 235.327 2.536 0 50 BFAA Cc1cn2c(n1)CC[C@H](NCCC(C)(C)C)C2 170087108 LWGONSIWQPHCDO-LBPRGKRZSA-N 235.375 2.532 0 50 BFAA COc1ccnc(NCc2ccccc2Cl)n1 219029375 KCMVPWJRDIGRNZ-UHFFFAOYSA-N 249.701 2.751 0 50 BFAA CC(=O)N1N=CC[C@@H]1[C@@H]1[C@@H](C)C=C(C)C[C@@H]1C 239309725 HUMGQYPYCXKRLK-CDGCEXEKSA-N 234.343 2.831 0 50 BFAA C=CC(=O)N[C@@H](C)[C@H]1CC2CCC1CC2 307571565 BQJCHZLIIGNQPA-WNYYMSAVSA-N 207.317 2.503 0 50 BFAA O=C(O[C@@H]1C=CCCC1)c1cccc2[nH]ncc12 785594622 HMFSWGXKGYXEJW-SNVBAGLBSA-N 242.278 2.828 0 50 BFAA CCc1nccn1C[C@@H](C)N(C)Cc1ccco1 1506420593 LHHSBWIJCRZXDF-GFCCVEGCSA-N 247.342 2.559 0 50 BFAA c1coc(-c2nccn2Cc2ccncc2)c1 1875244188 CLILBEVEKVTPBD-UHFFFAOYSA-N 225.251 2.586 0 50 BFAA Cc1cc(C)c(Br)c(C)c1N 57055 MVLMPTBHZPYDBZ-UHFFFAOYSA-N 214.106 2.957 0 50 BFAA in-vitro COC(=O)c1cccc2c1C(=O)c1ccccc1-2 135079 MDCCMRBQNJERFV-UHFFFAOYSA-N 238.242 2.685 0 50 BFAA Cc1cc(Br)c(C=O)s1 334112 ZKIPMYBKNJQSKR-UHFFFAOYSA-N 205.076 2.632 0 50 BFAA in-vitro O=C(Nc1ccc2c(c1)OCO2)C1CCCCC1 341663 DIVFJWGKUCNZLC-UHFFFAOYSA-N 247.294 2.934 0 50 BFAA CCC1=NSC2=NCC(c3ccccc3)=NN12 1009656 YQXWJXBSBUYFNO-UHFFFAOYSA-N 244.323 2.533 0 50 BFAA OCc1cc(C(F)(F)F)cc(Cl)c1F 2382181 TXEZAXDRQCONER-UHFFFAOYSA-N 228.572 2.990 0 50 BFAA in-vitro CC(C)(C)OC(=O)Nc1ccccc1CO 2541559 QQAMZZFIHGASEX-UHFFFAOYSA-N 223.272 2.526 0 50 BFAA in-vitro Nc1cc(-c2ccccc2Br)no1 3715874 IWZPUSFAARHNRW-UHFFFAOYSA-N 239.072 2.686 0 50 BFAA in-vitro C=CC(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C 4029092 PSGCQDPCAWOCSH-OUJBWJOFSA-N 208.301 2.930 0 50 BFAA in-vitro CCCC(=O)Nc1c(C)ccc2nsnc12 4093684 AUAWKBITTNEFKQ-UHFFFAOYSA-N 235.312 2.738 0 50 BFAA CCCCNC(=O)N1CCc2ccccc2C1 4171247 MPGHTXLKWNDCHB-UHFFFAOYSA-N 232.327 2.554 0 50 BFAA Cc1cc(C)cc(CSCC(=O)O)c1 5112160 IOFIEJXYCKBAOV-UHFFFAOYSA-N 210.298 2.621 0 50 BFAA in-vitro CC(=O)OC[C@@]12CC=C(C)[C@@H]([C@H](C)OC1)[C@H]2C 12878449 KSCMOJQRHWGLDT-ZMJPVWNMSA-N 238.327 2.557 0 50 BFAA biogenic Cc1cccnc1NC(=O)c1ccccc1 13964519 JJBRLTIVSDLEJK-UHFFFAOYSA-N 212.252 2.642 0 50 BFAA CC[C@@H](C)NC(=O)[C@@H](C)Oc1cccc(C)c1 14397114 XJWYOJRJIJAQQF-VXGBXAGGSA-N 235.327 2.677 0 50 BFAA Cc1ccc(NC(=O)N2C[C@H](C)O[C@H](C)C2)cc1 18061550 JFAZJXHKUTYROF-TXEJJXNPSA-N 248.326 2.636 0 50 BFAA CC(C)=CCC[C@H](C)CN(C)CCN(C)C 19634746 OISBXFIUDRSBGK-AWEZNQCLSA-N 226.408 2.862 0 50 BFAA Cc1cc(Cl)c(Br)cn1 21982018 HQIJNBFVJKFOAS-UHFFFAOYSA-N 206.470 2.806 0 50 BFAA in-vitro ON1C(c2ccccc2)=NNc2ccccc21 25757405 RSEYSZORVUOWTP-UHFFFAOYSA-N 225.251 2.670 0 50 BFAA Nc1c(N2CCCCC2)ccc2ncccc12 37377339 ZHPFZJYJGJIKMD-UHFFFAOYSA-N 227.311 2.807 0 50 BFAA Cc1c[nH]c2nc(Cl)nc(Cl)c12 63772251 YXPYVRKJOFGHQI-UHFFFAOYSA-N 202.044 2.573 0 50 BFAA in-vitro CC(=O)Nc1c(C)ccc2nc(C)ccc12 67640857 QPLDYBXGYAATNA-UHFFFAOYSA-N 214.268 2.810 0 50 BFAA CC(=O)c1cccc(-c2n[nH]c(CC(C)C)n2)c1 67676411 GXZCKKHNKYXALL-UHFFFAOYSA-N 243.310 2.873 0 50 BFAA Cc1ccc2c(c1Br)NCC2 131563875 NVYZMVQKUYHKNG-UHFFFAOYSA-N 212.090 2.726 0 50 BFAA c1cn(CCSC2CCCCC2)cn1 159341485 ZBOQYCFUDFUXKE-UHFFFAOYSA-N 210.346 2.949 0 50 BFAA CC(C)C[C@H](COCc1ccccc1)C(=O)O 230082482 QLSBJDHEYAHBKC-CYBMUJFWSA-N 236.311 2.950 0 50 BFAA CC(C)(CCO)Nc1cc(F)cc(F)c1 257354960 GVDWYCBNHJXMCL-UHFFFAOYSA-N 215.243 2.538 0 50 BFAA Cc1cc(NC(=O)N2CCC3(CCC3)CC2)no1 671736497 DSRAWMLNZRLDBT-UHFFFAOYSA-N 249.314 2.781 0 50 BFAA N[C@H](C(F)F)C12CC3CC(CC(C3)C1)C2 685976116 AUHINQPXGMHSMA-PZLWRYNDSA-N 215.287 2.795 0 50 BFAA Cc1ccc2n[nH]cc2c1[C@H]1CCN[C@H](C)C1 757211161 KBEBSWFNTDUYOB-MNOVXSKESA-N 229.327 2.727 0 50 BFAA CNc1ccnc(NC[C@@H]2CC23CCCCC3)n1 824084025 NQQIPWXWVVYDSN-NSHDSACASA-N 246.358 2.901 0 50 BFAA C=CC(=O)NCc1cc2ccccc2s1 863971142 GWMHQIUTNCFPRZ-UHFFFAOYSA-N 217.293 2.704 0 50 BFAA C[C@H]1C[C@@H]1CC(=O)Nc1ccc(Cl)nc1 1875259926 STKIKXLIUNTXBF-JGVFFNPUSA-N 224.691 2.720 0 50 BFAA C=CC(=O)NCc1ccccc1C(C)(F)F 1875368111 QQXYBRRWHNPFJG-UHFFFAOYSA-N 225.238 2.601 0 50 BFAA Cc1nnc2n1CC[C@H](C(C)(C)C)CC2 2356139628 VBYXTUZREPOALV-SNVBAGLBSA-N 207.321 2.585 0 50 BFAA CC(=O)c1nn(-c2ccccc2)c2c1CCCC2 211339 JBPMWJSTBHXKNP-UHFFFAOYSA-N 240.306 2.954 0 50 BFAA O=C(c1cc(F)c(F)cc1Cl)N1CCCC1 444410 NNOOQKRRKQQTBZ-UHFFFAOYSA-N 245.656 2.854 0 50 BFAA CC[C@@H](C(=O)Nc1cnccn1)c1ccccc1 1053560 KPQAZGJNBJCNDV-GFCCVEGCSA-N 241.294 2.609 0 50 BFAA CCC(=O)c1ccc(OCCN(CC)CC)cc1 1641610 YTVLBLIDZAJCAQ-UHFFFAOYSA-N 249.354 3.000 0 50 BFAA Cc1ccc(N(N)CCc2ccc(C)nc2)cc1 3877490 MSWINDLFZDBCLY-UHFFFAOYSA-N 241.338 2.621 0 50 BFAA NNc1nnc(-c2ccccc2)c2ccccc12 5004740 OZXCKWJNGZVAAJ-UHFFFAOYSA-N 236.278 2.582 0 50 BFAA CC(C)Oc1ccc(CSc2ncn[nH]2)cc1 5686001 FVNFJMWPDRTPBC-UHFFFAOYSA-N 249.339 2.884 0 50 BFAA Cn1c(CC2CCCCC2)n[nH]c1=S 6319617 QCXFKLJDFZTMCD-UHFFFAOYSA-N 211.334 2.600 0 50 BFAA CCSc1nc2ccc(OC)cc2[nH]1 9187549 CZSQXDMMIUJHSK-UHFFFAOYSA-N 208.286 2.684 0 50 BFAA Cc1ccsc1[C@@]1(C(=O)O)CC1(C)C 19089367 MBENFHWSVWYQDX-LLVKDONJSA-N 210.298 2.809 0 50 BFAA in-vitro Cc1ccc(C)c(CC(=O)NCC(C)C)c1 20487349 RWJNEGNDNIMCAA-UHFFFAOYSA-N 219.328 2.618 0 50 BFAA NC[C@@H]1C[C@H]1c1ccc(Br)cc1 34893373 JDPOCUFHXPTLJW-WPRPVWTQSA-N 226.117 2.511 0 50 BFAA CC1(C)CC(=O)c2c(C(F)(F)F)n[nH]c2C1 52507720 OFQAFLDKWBQAJI-UHFFFAOYSA-N 232.205 2.584 0 50 BFAA in-vitro Cc1nc2nccc(-c3ccc(Cl)cc3)n2n1 57530905 ZPJWVFZRDNGVSV-UHFFFAOYSA-N 244.685 2.753 0 50 BFAA C[C@@H]1CCC[C@H](NC(=O)NCC2CC2)[C@@H]1C 127918550 DJSSVJKLIDNHMN-FOGDFJRCSA-N 224.348 2.520 0 50 BFAA CC(C)[C@@H](N[C@@H](C)CO)c1ccc(F)c(F)c1 170073281 VKYZVZAYBOIKQC-TVQRCGJNSA-N 243.297 2.632 0 50 BFAA CCN(Cc1cncn1C)c1ccccc1C 170656124 LGXQVHWQAYANHM-UHFFFAOYSA-N 229.327 2.755 0 50 BFAA Cc1ccc(NC(=O)OC(C)(C)C)cc1CO 201878312 HTSDSGISRDNGHJ-UHFFFAOYSA-N 237.299 2.834 0 50 BFAA CC(C)c1cc(CN(C)[C@H](C)c2ccon2)on1 216178530 YVHLBRCRKKXDEW-SNVBAGLBSA-N 249.314 2.979 0 50 BFAA C[C@H]1CC(C)(C)C[C@@H]1N[C@H](C)CCCO 225449717 IBPNKNODARGSOY-TUAOUCFPSA-N 213.365 2.562 0 50 BFAA CCC[C@H](C)OC(=O)C[C@@H](CN)CC(C)C 230519123 HGRWWXZXPFOOQM-RYUDHWBXSA-N 229.364 2.729 0 50 BFAA C1=CC[C@]23C=C[C@]2(C1)[C@H]1C=C[C@H]3[C@H]2COC[C@H]12 253596412 QXBDRQSGBBHKCP-OSLXHZNNSA-N 226.319 2.957 0 50 BFAA CCOC1(OCC)C[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]21 254397422 CXXNIJGNUVQONK-YFKTTZPYSA-N 210.317 2.822 0 50 BFAA FC(F)(F)c1cc(NC[C@H]2CCCO2)ccn1 302407872 IDHWCLKVSQCZSD-SECBINFHSA-N 246.232 2.691 0 50 BFAA CC(C)n1ccnc1CN[C@@H](C)CC(F)(F)F 534659682 HSJZMIOWULJDOS-VIFPVBQESA-N 249.280 2.895 0 50 BFAA CCN1C[C@H](C)N(C[C@@H]2CC=CCC2)[C@@H](C)C1 585116589 BTULWZHAIYVMCM-SOUVJXGZSA-N 236.403 2.757 0 50 BFAA Cc1noc2ncnc(NCC3CCCCC3)c12 669647473 QRUWFKNLDBXTJV-UHFFFAOYSA-N 246.314 2.918 0 50 BFAA C=CC(=O)Nc1c2c(cc3c1CCC3)CCC2 1346090302 DQTNKBIRLYFMDR-UHFFFAOYSA-N 227.307 2.789 0 50 BFAA C=CC(=O)Nc1cnc(N2CCCCC2)c(C)c1 1775999278 HLAXEJKLPKRKFQ-UHFFFAOYSA-N 245.326 2.505 0 50 BFAA C[C@H]1CCCCc2nnc(C3CCC3)n21 1875249795 BHWPCXVCXKWMIF-VIFPVBQESA-N 205.305 2.833 0 50 BFAA CCOc1cccc(-c2cnc3cnccn23)c1 2356168859 FDLFPWVXAMTAEY-UHFFFAOYSA-N 239.278 2.795 0 50 BFAA Cc1nc2sc3c(c2c2nncn12)CCCC3 72454 PONPELTUPXRSHB-UHFFFAOYSA-N 244.323 2.526 0 50 BFAA Cc1cc(-c2csc(N)n2)cc(C)c1O 168478 WJPPIXIXQOGLGE-UHFFFAOYSA-N 220.297 2.715 0 50 BFAA O=C([C@@H]1C[C@H]1c1ccccc1)N1CCCCC1 185983 BYCDPTRUPKGZOX-UONOGXRCSA-N 229.323 2.803 0 50 BFAA C[C@H](Cc1ccccc1F)NC[C@@H]1CCCO1 214722 DUEQJUKVKXYDGZ-YPMHNXCESA-N 237.318 2.525 0 50 BFAA Cc1ccc(C(=O)CCN2CCCC2)cc1 2585406 KKCZPVROBRXZKM-UHFFFAOYSA-N 217.312 2.664 0 50 BFAA COc1ccc([C@H](O)c2ccccc2)cc1OC 4255541 YUSIFTKKBCLPAD-OAHLLOKOSA-N 244.290 2.786 0 50 BFAA CCNC(=O)Nc1cccc(Cl)c1C 4827033 OOFDEVOTRGFLPE-UHFFFAOYSA-N 212.680 2.790 0 50 BFAA COc1cc(C)nc2ccc(NC(C)=O)cc12 5268732 QEJJTUPQGGEUFD-UHFFFAOYSA-N 230.267 2.510 0 50 BFAA in-vitro CCOCCCNC(=O)C[C@@H](C)c1ccccc1 5592887 UGODKSAYLQRABA-CYBMUJFWSA-N 249.354 2.723 0 50 BFAA CCOc1ccc(CNC(C)C)cc1OC 10436082 ZVECCJQTVFOQEF-UHFFFAOYSA-N 223.316 2.592 0 50 BFAA Oc1ccc(Br)c2cccnc12 11535743 WIIUANWSGSTCLG-UHFFFAOYSA-N 224.057 2.703 0 50 BFAA in-vitro O=Cc1cc(Br)ccc1Cl 16124411 DPKKRQAEYWOISP-UHFFFAOYSA-N 219.465 2.915 0 50 BFAA in-vitro CCC(=O)NC1=Cc2cccc(OC)c2CC1 118702528 RKVRHCSRUYRDAZ-UHFFFAOYSA-N 231.295 2.509 0 50 BFAA O=C1CCc2ccc(C(F)(F)F)cc2N1 140263374 BXFVUNFYULIQLT-UHFFFAOYSA-N 215.174 2.590 0 50 BFAA in-vitro CC[C@@H](C(=O)O)N(CC)Cc1ccccc1C 191403617 ULCWGVAOIRDKFA-ZDUSSCGKSA-N 235.327 2.680 0 50 BFAA CCc1noc([C@H](C)N2CCC[C@@H](CC)C2)n1 229282849 XHUURGPLYNNUSQ-WDEREUQCSA-N 237.347 2.815 0 50 BFAA C[C@@H]1CC[C@H](NC[C@@H](O)c2ccncc2)C[C@H]1C 253369472 CXIOPHKHLHPKGW-RJZRQDKASA-N 248.370 2.529 0 50 BFAA CC(C)C(=O)N1CC(c2cccc(Cl)c2)C1 335489817 SNPPHNMGSMDRKM-UHFFFAOYSA-N 237.730 2.922 0 50 BFAA O=C(Nc1cccc(C2CC2)n1)C1C[C@@H]2C[C@H]2C1 615289608 IBIZJKUNJHTRRK-QWRGUYRKSA-N 242.322 2.944 0 50 BFAA Cc1ccc(NC(=O)N2C[C@@H]3CCCC[C@@H]32)nc1 666644336 ACSAHWARAOUMLF-RYUDHWBXSA-N 245.326 2.796 0 50 BFAA CC1=C(CN2C[C@H](O)[C@@H](F)C2)C(C)(C)CCC1 1615705807 DSHLNTGQCIQZGS-STQMWFEESA-N 241.350 2.528 0 50 BFAA Cc1cc(OC(F)F)ccc1[C@H](C)N 1857787314 VLCAPNUCDDHLMI-ZETCQYMHSA-N 201.216 2.616 0 50 BFAA Oc1cccc(-c2nccn2Cc2ccco2)c1 1875244647 XOSWWVKBLFXFKI-UHFFFAOYSA-N 240.262 2.897 0 50 BFAA c1ccc(-c2nccn2CC[C@H]2CCOC2)cc1 1875249121 JDNVIXPFWLBOAD-ZDUSSCGKSA-N 242.322 2.977 0 50 BFAA Fc1cc(F)cc(-c2cnc3cnccn23)c1 2100539400 GTVWMAVAWAYJAT-UHFFFAOYSA-N 231.205 2.675 0 50 BFAA Cc1cc(O)ccc1NC(=O)Cc1ccccc1 92303 CYCOVXXFVUENFN-UHFFFAOYSA-N 241.290 2.882 0 50 BFAA CC(C)c1ccc(CN2CCC[C@@H](O)C2)cc1 200891 XEJJVRIAZDLMQH-OAHLLOKOSA-N 233.355 2.767 0 50 BFAA O=C(O)c1ccc2cccc(Cl)c2c1O 615885 LVYFUDPRTYIABY-UHFFFAOYSA-N 222.627 2.897 0 50 BFAA CCCc1nc(Cc2ccc(OC)cc2)no1 1205791 OLCJYPCCXRWGBT-UHFFFAOYSA-N 232.283 2.622 0 50 BFAA COCCCNC(=O)c1ccc(C(C)(C)C)cc1 2059535 WJXQEVIXGBAIJP-UHFFFAOYSA-N 249.354 2.750 0 50 BFAA Cc1cc(Br)c(Cl)cc1N 4290727 VMYZAFFWRFOHME-UHFFFAOYSA-N 220.497 2.993 0 50 BFAA in-vitro Clc1ccccc1CSC1=NCCN1 4323597 MRKZZXDCOQKXGF-UHFFFAOYSA-N 226.732 2.532 0 50 BFAA CCOc1cccc(C(=O)n2nc(C)cc2C)c1 6690902 AETSUVVTMNCVRY-UHFFFAOYSA-N 244.294 2.587 0 50 BFAA CCNCCOc1cc(Cl)ccc1Cl 6728944 IWFFXUHQEVEYGE-UHFFFAOYSA-N 234.126 2.982 0 50 BFAA Nc1n[nH]cc1-c1ccc2ccccc2c1 9611502 GRJFPUUEFWECEX-UHFFFAOYSA-N 209.252 2.812 0 50 BFAA O=C(O)C(F)(F)c1cccc(Cl)c1 20213101 RVWPKAZAYUYMND-UHFFFAOYSA-N 206.575 2.516 0 50 BFAA in-vitro CCOC(=O)c1cc(-c2ccc(C)cc2)on1 26547653 XPIUEGYFYXHZBH-UHFFFAOYSA-N 231.251 2.827 0 50 BFAA CC(C)(C)[C@H]1CC(Br)=NO1 30678656 OVTHQBDSNGJXQT-RXMQYKEDSA-N 206.083 2.530 0 50 BFAA in-vitro Cc1ccc2nn(C)cc2c1Br 36533447 QHLAFXZSLHLHOT-UHFFFAOYSA-N 225.089 2.644 0 50 BFAA in-vitro CC(=O)OCc1cccc(Br)c1 39318520 LKRBJGQCGJSSSX-UHFFFAOYSA-N 229.073 2.512 0 50 BFAA CC(C)Oc1c(F)cc(C=O)cc1F 85873794 FCGBFCNZBDWSQA-UHFFFAOYSA-N 200.184 2.565 0 50 BFAA CC(C)(C)OC(=O)N1[C@@H]2C=CCC23CC=C[C@@H]13 100191162 QONDMLQEWGSYFB-HRQHSXBYSA-N 233.311 2.881 0 50 BFAA CC(C)C(=O)[C@H]1C[C@H](C(C)C)CCC1=O 112750752 GFCMCMHCUZLQMA-MNOVXSKESA-N 210.317 2.853 0 50 BFAA CCCCC[S@@](=O)c1cccc(O)c1 191200475 MJIMVUHEPQHSCS-CQSZACIVSA-N 212.314 2.690 0 50 BFAA COc1cccc(OC)c1[C@H](O)c1ccc(C)o1 228229390 UOQFLEJYVCDAAW-CQSZACIVSA-N 248.278 2.687 0 50 BFAA COc1ccc(Cl)c(C(F)(F)F)n1 238335407 YPOMHKNIPBNSKB-UHFFFAOYSA-N 211.570 2.762 0 50 BFAA CC(C)(N)CN1CCC[C@H]1c1ccccc1 335880809 YVPCIZPDBQKTKZ-ZDUSSCGKSA-N 218.344 2.561 0 50 BFAA COc1ccc(-c2nc(C)cc(C)n2)cc1OC 426707144 FNLSCHAMWWBDKU-UHFFFAOYSA-N 244.294 2.778 0 50 BFAA O=Cc1sccc1-c1ccc(C(=O)O)cc1 725272577 RACOSBMZFJKRTR-UHFFFAOYSA-N 232.260 2.926 0 50 BFAA Cc1c(Cl)ccc2[nH]c(C(=O)N3CCC3)cc12 2325769764 KMRKPEHEVJUCFG-UHFFFAOYSA-N 248.713 2.976 0 50 BFAA Cc1ccc(C(=O)NCCc2ccccc2)cc1 127857 VYVIOMGTYOZNCW-UHFFFAOYSA-N 239.318 2.968 0 50 BFAA biogenic O=C([C@H]1C[C@@H]1c1ccccc1)N1CCCCC1 185985 BYCDPTRUPKGZOX-KGLIPLIRSA-N 229.323 2.803 0 50 BFAA Cc1ccc(C(=O)NCc2ccncc2)cc1C 288044 WAQXIKGHBGSXPV-UHFFFAOYSA-N 240.306 2.628 0 50 BFAA CNCCCOc1c(Cl)ccc(C)c1C 2844441 TXQXNZBKODLRDD-UHFFFAOYSA-N 227.735 2.945 0 50 BFAA CCOCCC(=O)Nc1cc(C)cc(C)c1 4806036 BNQJWVZIWNBQLD-UHFFFAOYSA-N 221.300 2.669 0 50 BFAA Cc1ccccc1CC(=O)Nc1cccnc1 6699774 BKMOVCAIOPBLFR-UHFFFAOYSA-N 226.279 2.571 0 50 BFAA Cc1ccn(-c2ccc(C(=O)O)c(Cl)c2)n1 12336395 JBSFTFLMZMRNLI-UHFFFAOYSA-N 236.658 2.532 0 50 BFAA CCCCNC(=O)[C@@H](C)Oc1ccccc1C 20487824 NRUCLARIMPFLGQ-GFCCVEGCSA-N 235.327 2.679 0 50 BFAA CCOC(=O)c1nc(N)sc1-c1ccccc1 34926450 NFBPADMTYAJYRI-UHFFFAOYSA-N 248.307 2.569 0 50 BFAA CCOC(CCCc1ccncc1)OCC 44126244 SHKVOWWHJCNEIT-UHFFFAOYSA-N 223.316 2.803 0 50 BFAA CCCCNC(=O)c1cc(C)ccc1C 47464458 VVDLROHXLWSHQY-UHFFFAOYSA-N 205.301 2.833 0 50 BFAA Cc1cnc(NC(=O)C[C@@H]2CCC[C@@H](C)C2)[nH]1 131152490 FWBHCUGGVHXGTP-MWLCHTKSSA-N 235.331 2.873 0 50 BFAA O[C@@H]1CC2(CCCC2)Oc2ccc(F)cc21 160684032 CQDHJWCLXIQJNV-LLVKDONJSA-N 222.259 2.954 0 50 BFAA C[C@H](N)[C@H]1C[C@H]1c1ccccc1Br 242538959 JJRCPHOYTSNRQT-SFGNSQDASA-N 240.144 2.900 0 50 BFAA C[C@@H](c1ccc(F)nc1)N1CCC=C(F)C1 585133195 AKGUIHBYPBFEFZ-VIFPVBQESA-N 224.254 2.841 0 50 BFAA CCC[C@@H]1CCC(=O)C[C@H]1n1cccn1 725360901 KXQOGFZWZWWHDL-ZYHUDNBSSA-N 206.289 2.594 0 50 BFAA C=CC(=O)Nc1ccc(Cl)c(N(C)C)c1 1120553636 HHLKVOFHKWIROZ-UHFFFAOYSA-N 224.691 2.531 0 50 BFAA CCc1cc(Br)cn2cc(C)nc12 1772718071 KUXJSWFFTTYUOQ-UHFFFAOYSA-N 239.116 2.968 0 50 BFAA C=CC(=O)N=c1cc(-c2cccc(Cl)c2)o[nH]1 1875366666 MQMUXXVFFXLHBU-UHFFFAOYSA-N 248.669 2.541 0 50 BFAA Cc1nnc2n1CC[C@@H](C(C)(C)C)CC2 2356139626 VBYXTUZREPOALV-JTQLQIEISA-N 207.321 2.585 0 50 BFAA COc1ccc(-c2ccc(CCC(=O)O)[nH]2)cc1 56277 TWZMVQARIIRSDZ-UHFFFAOYSA-N 245.278 2.708 0 50 BFAA CCOC(=O)c1sc2ccccc2c1N 145157 XZSFZYVMRZLUOJ-UHFFFAOYSA-N 221.281 2.660 0 50 BFAA in-vitro Cc1ccc(C)n1[C@H](Cc1ccccc1)C(=O)O 378484 CIUPYBFUPLMRLH-CQSZACIVSA-N 243.306 2.973 0 50 BFAA Cc1cc2c(ncn2C(C)C)c(N)c1C 1388498 JSDJDEZOUUPUON-UHFFFAOYSA-N 203.289 2.816 0 50 BFAA CCCCC(=O)N1CCc2ccccc21 2741469 NRPGTHVWUBPZNY-UHFFFAOYSA-N 203.285 2.766 0 50 BFAA O=C1CC(=O)CC(c2ccccc2Cl)C1 4112869 BPFBAVBCEHCMFU-UHFFFAOYSA-N 222.671 2.746 0 50 BFAA in-vitro Cc1ccc(NC(=O)CC(C)(C)C)nc1 12537047 QCVQCENTFIPYRP-UHFFFAOYSA-N 206.289 2.765 0 50 BFAA CCOC(COc1ccc(C)cc1)OCC 14807263 PQSIJEAZEVYENF-UHFFFAOYSA-N 224.300 2.773 0 50 BFAA in-vitro C[C@@H]1CN(C(=O)CCC2CCCC2)C[C@@H](C)O1 16603368 HDNKGZNBHFWRBK-VXGBXAGGSA-N 239.359 2.593 0 50 BFAA Cc1ccc(-c2nc(C=O)cs2)cc1 19723117 HQQLUNVPMPSCIT-UHFFFAOYSA-N 203.266 2.931 0 50 BFAA in-vitro C[C@@H](N)c1ccc(C(F)(F)F)c(F)c1 83592976 JGOIWTAAYYAMKP-RXMQYKEDSA-N 207.170 2.864 0 50 BFAA CN[C@H](C)[C@@H](Oc1ccccn1)c1ccccc1 96026550 BIAKARZBLXBSEF-IUODEOHRSA-N 242.322 2.810 0 50 BFAA CN1[C@H]2CC[C@H]1CC(NC1CCCCC1)C2 100142737 WGUYSKWWJNQJSC-KBPBESRZSA-N 222.376 2.534 0 50 BFAA NCC12C3c4ccccc4[C@H]1[C@@H]2c1ccccc13 101045744 GHMHZXBXYOZQNA-YZUHTNEWSA-N 233.314 2.972 0 50 BFAA Cc1n[nH]cc1Nc1nc(C(C)(C)C)ns1 158838423 XIKHBFAXOIMYFM-UHFFFAOYSA-N 237.332 2.611 0 50 BFAA Cc1cncc(N2CCC[C@H](C(F)(F)F)C2)n1 336519422 ALOIGJNZDQMIIC-VIFPVBQESA-N 245.248 2.564 0 50 BFAA C1=C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c2ccccc12 678342130 QZSPSIATXGNTQK-NWDGAFQWSA-N 239.322 2.856 0 50 BFAA O=Cc1sccc1-c1ccncc1F 725242703 WIPUBTVJEDXVCV-UHFFFAOYSA-N 207.229 2.762 0 50 BFAA C[C@@H](c1nc(-c2ccco2)n[nH]1)N1CCCCC1 822182791 XZLQOOGGESUWKM-JTQLQIEISA-N 246.314 2.612 0 50 BFAA CC1(C)C(CNC(=O)C[C@@H]2CC2(F)F)C1(C)C 827801773 FQCJNPHLCTZLBU-MRVPVSSYSA-N 245.313 2.830 0 50 BFAA CC[C@@H](C)n1cc(-c2cccc(C(N)=O)c2)cn1 904895079 MNUHUNHXHPMLHQ-SNVBAGLBSA-N 243.310 2.620 0 50 BFAA O=C(NC1CCCCCC1)c1ccco1 37606 LRNVCPIPFWXJNU-UHFFFAOYSA-N 207.273 2.732 0 50 BFAA in-vitro O=C([C@@H]1C[C@@H]1c1ccccc1)N1CCCCC1 185979 BYCDPTRUPKGZOX-ZIAGYGMSSA-N 229.323 2.803 0 50 BFAA NC(=O)C1C(c2ccccc2)=C1c1ccccc1 286156 NAQXDYZMZOAQDQ-UHFFFAOYSA-N 235.286 2.713 0 50 BFAA O=C(O)C[C@H]1Cc2cccc3cccc1c23 330086 SPKBPOIDADRUPI-LLVKDONJSA-N 212.248 2.954 0 50 BFAA O=C(Nc1ccc(F)c(F)c1)c1ccncc1 340467 RKFJWPATYWDQHB-UHFFFAOYSA-N 234.205 2.612 0 50 BFAA CC[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 372608 BUBOTXCWDHNELW-SECBINFHSA-N 219.284 2.874 0 50 BFAA COc1ccc2nc(Cl)c(C(=O)O)cc2c1 422518 ZPOJSCBYMLQIEL-UHFFFAOYSA-N 237.642 2.595 0 50 BFAA in-vitro O=Cc1cc(OCc2ccccc2)ccc1O 447867 QIQZAISWDRNIFG-UHFFFAOYSA-N 228.247 2.784 0 50 BFAA in-vitro CCSCC(=O)Nc1ccc(C)cc1 2866590 UYQXWTNGIKCPFA-UHFFFAOYSA-N 209.314 2.687 0 50 BFAA Cc1nc(C(=O)Nc2ccc(Cl)cc2)co1 22606355 PUEPQEYRBFPXGM-UHFFFAOYSA-N 236.658 2.889 0 50 BFAA FC(F)(F)c1cccnc1N1CCCC1 95081016 BQICETOMRWQJSD-UHFFFAOYSA-N 216.206 2.701 0 50 BFAA c1cc(-c2ccc3c(c2)CCN3)n2ccnc2c1 128038811 HMTZAVLCKCHWIZ-UHFFFAOYSA-N 235.290 2.969 0 50 BFAA Cc1cccc(C)c1CN(C)CC1CC(O)C1 179227790 HVLKWLAGIMAWDS-UHFFFAOYSA-N 233.355 2.506 0 50 BFAA Nc1nn(-c2ccc(Cl)cc2)c2c1CCC2 212730909 XNIXNHKSIVOBNH-UHFFFAOYSA-N 233.702 2.597 0 50 BFAA C[C@@H]1CC[C@H](O)[C@@H](OCc2ccccc2)C1 222152923 WLKXDBANPPQFNX-XBFCOCLRSA-N 220.312 2.753 0 50 BFAA Cc1noc(CN2CCC[C@@H]3CCCC[C@H]32)n1 230057380 GOSWMGQZUSIBPG-NWDGAFQWSA-N 235.331 2.533 0 50 BFAA CC1(C)CC[C@@H](N2CCC(c3nc[nH]n3)CC2)C1 364864729 UTHJBSRMXZYMAN-GFCCVEGCSA-N 248.374 2.563 0 50 BFAA CCC[C@H](O)c1ccc(-c2cnn(C)c2)cc1 426492744 FGMAEZJJUOBDJD-AWEZNQCLSA-N 230.311 2.921 0 50 BFAA CCOc1ccc(OCc2cnsn2)cc1 585091169 RKMKWCQBECJBKK-UHFFFAOYSA-N 236.296 2.516 0 50 BFAA Nc1cnc2cccc(C(F)(F)F)c2c1 585672662 KFCDFMFMGGNQLA-UHFFFAOYSA-N 212.174 2.836 0 50 BFAA Cc1nc(-c2cccc(-c3ccnnc3)c2)no1 1875245440 ZVWKNRMBFJSUGC-UHFFFAOYSA-N 238.250 2.502 0 50 BFAA Cc1nc(Cl)c(C(=O)O)c(C)c1Cl 39049 QJUGBRJQIHDUNF-UHFFFAOYSA-N 220.055 2.703 0 50 BFAA in-vitro COc1ccc(NC(=O)c2ccc(O)cc2)cc1 49942 BCZXCMYTRCPVQM-UHFFFAOYSA-N 243.262 2.653 0 50 BFAA CC(=O)N1CCC(c2c[nH]c3ccccc23)CC1 84031 PRFIVCWVSORYRV-UHFFFAOYSA-N 242.322 2.894 0 50 BFAA O=C(O)[C@H]1CC=CC[C@H]1Cc1ccccc1 342282 SLIBOSUXKGDWRP-STQMWFEESA-N 216.280 2.896 0 50 BFAA biogenic COC[C@@H](C)NCc1ccc2ccccc2c1 766511 RRWXZVDCAUQCQC-GFCCVEGCSA-N 229.323 2.964 0 50 BFAA CC(C)(CO)NCc1ccc(Cl)c(Cl)c1 1755873 IZGKPQZVDBIZCZ-UHFFFAOYSA-N 248.153 2.854 0 50 BFAA O=C(O)c1cc(F)c(C(F)(F)F)c(F)c1 2382332 MKESWMDKZFRERU-UHFFFAOYSA-N 226.100 2.682 0 50 BFAA in-vitro O=Cc1ccc(-c2cccc(C(=O)O)c2)cc1 2581021 PLPKINAPTMTZJU-UHFFFAOYSA-N 226.231 2.864 0 50 BFAA Cc1cccc(C)c1OC[C@@H](N)C(C)C 4475257 YONZEVQTIYSTAP-GFCCVEGCSA-N 207.317 2.666 0 50 BFAA biogenic c1ccc(-c2n[nH]c(-c3cccnc3)n2)cc1 13118308 LYJGTNPLWZSTJL-UHFFFAOYSA-N 222.251 2.534 0 50 BFAA O=c1[nH]nc(-c2ccccc2)c2ccccc12 18276907 XCJLBNVENUPHEA-UHFFFAOYSA-N 222.247 2.590 0 50 BFAA in-vitro Cc1cc2sc(N)nc2cc1Br 20133663 LHFKOJQPISWLAY-UHFFFAOYSA-N 243.129 2.949 0 50 BFAA Cc1cc(C)c2c(C)nn(-c3ccccn3)c2n1 32498052 LNVLGPQKLXZKDC-UHFFFAOYSA-N 238.294 2.741 0 50 BFAA Cc1nc(-c2cccc3cccnc23)c[nH]1 32547858 PPWJDGIXJRBHDF-UHFFFAOYSA-N 209.252 2.933 0 50 BFAA CCOC(=O)c1sccc1Br 38846394 OWQBBCHDTVSHOL-UHFFFAOYSA-N 235.102 2.687 0 50 BFAA Oc1ccc2cccnc2c1Br 40544577 ACQSKLVTXZNXGL-UHFFFAOYSA-N 224.057 2.703 0 50 BFAA in-vitro Clc1nc(Cl)c2c(Cl)c[nH]c2n1 59269083 YUKWSCQSOXCSES-UHFFFAOYSA-N 222.462 2.918 0 50 BFAA in-vitro Clc1cccc(Cn2cnnc2)c1Cl 65433239 GVSOBCNILLFXOA-UHFFFAOYSA-N 228.082 2.633 0 50 BFAA C[C@@H]1CN(C(=O)NCC2CC2)[C@H]1c1ccccc1 170004150 IYNCISVLLJACPG-BXUZGUMPSA-N 244.338 2.799 0 50 BFAA Nc1cc(OC(F)F)cc(C(F)(F)F)c1 263624663 SLQLXGLNPCOANE-UHFFFAOYSA-N 227.132 2.889 0 50 BFAA Cc1coc(C)c1C(=O)N[C@H]1CC[C@@H](F)C1 335343090 ZGKODAJSDMIPAZ-ZJUUUORDSA-N 225.263 2.517 0 50 BFAA Cc1ccc2n[nH]cc2c1[C@H]1CC[C@H](C)NC1 757209840 GNLDXNOCGPIQQV-QWRGUYRKSA-N 229.327 2.727 0 50 BFAA O=c1cc(C(F)(F)F)oc2ccccc12 112298 ABPAKMJTQTVEDR-UHFFFAOYSA-N 214.142 2.812 0 50 BFAA COC(=O)c1cc(Cl)cc(Cl)c1 124765 BTEVDFJXGLQUDS-UHFFFAOYSA-N 205.040 2.780 0 50 BFAA in-vitro C[C@@H](Cc1ccccc1)NC(=O)c1ccco1 247744 HQBLYOPXFMIQNV-NSHDSACASA-N 229.279 2.641 0 50 BFAA Cc1ccc(NC(=O)NC(C)C)c(C)c1 396274 MUWGCUBAHCXSMX-UHFFFAOYSA-N 206.289 2.833 0 50 BFAA COc1ccc([C@@H]2CCCCN2)c(OC)c1 2582611 UPLHYQRIQVCOJT-LBPRGKRZSA-N 221.300 2.518 0 50 BFAA in-vitro CCCCSC[C@H](O)CN1CCCCCC1 2912970 BOYYMDHPDKHDJV-CYBMUJFWSA-N 245.432 2.757 0 50 BFAA CCCCN[C@@H](C)COc1ccccc1 3921076 IQZZXHXSGKRUMJ-LBPRGKRZSA-N 207.317 2.844 0 50 BFAA Cn1c(C(=O)O)cc2ccc(Cl)cc21 8417041 BMHTUBVXMTYFAS-UHFFFAOYSA-N 209.632 2.530 0 50 BFAA in-vitro CCNc1ccc(Br)cc1C(=O)O 8703068 GECLABGJKKFNJZ-UHFFFAOYSA-N 244.088 2.579 0 50 BFAA COC(=O)Nc1ccc(C(F)(F)F)cc1 13327597 XBOOSSXVZOXOAM-UHFFFAOYSA-N 219.162 2.884 0 50 BFAA CC(C)(C)OC(=O)N1C(=O)Cc2ccccc21 14517214 UZMPOHKOMYCYCZ-UHFFFAOYSA-N 233.267 2.511 0 50 BFAA Cc1cc(=O)c2ccc(Br)cc2[nH]1 16941257 QOUCHADNJZFETE-UHFFFAOYSA-N 238.084 2.599 0 50 BFAA Clc1nccc(Nc2ccccc2)n1 26898639 YUNXWKOIMBXKRF-UHFFFAOYSA-N 205.648 2.874 0 50 BFAA in-vitro CN(C)C1(c2ccccc2)CCC(=O)CC1 27424911 DEOPEYZZVGZQFC-UHFFFAOYSA-N 217.312 2.587 0 50 BFAA in-vitro Nc1nc2c(OCc3ccccc3)cccc2o1 97757453 XHVXTBTUWUBNSP-UHFFFAOYSA-N 240.262 2.989 0 50 BFAA CCCOc1ccc2[nH]cc(CC(=O)O)c2c1 163194869 RDISIAAAWVDPMV-UHFFFAOYSA-N 233.267 2.584 0 50 BFAA CCN(CC)Cc1ccc(O)c(Cl)c1 168384960 LWSMKTZWTFTGMK-UHFFFAOYSA-N 213.708 2.887 0 50 BFAA COc1c(Cl)cc(C(C)=O)c(O)c1Cl 200805157 MGERHXRLYHPTCZ-UHFFFAOYSA-N 235.066 2.910 0 50 BFAA C[C@@H]1O[C@H](C)[C@@H](C)[C@H](c2ccccc2O)O1 229937820 OSYQUVFLQIPNCW-VWMGYNLJSA-N 222.284 2.851 0 50 BFAA biogenic C[C@@H](NC(=O)C1CCC1)[C@H]1C[C@H]2CC[C@H]1C2 243148920 JNHOBKBZGZEFPQ-RSLMWUCJSA-N 221.344 2.727 0 50 BFAA C1=C(c2nc([C@H]3CCOC3)no2)CCCCC1 299746983 BRPJCFGEEHROGK-NSHDSACASA-N 234.299 2.921 0 50 BFAA CCSC[C@H](C)N1CCC(CCOC)CC1 670439376 COOSIIFILKTTEN-LBPRGKRZSA-N 245.432 2.877 0 50 BFAA CC[C@H](C)c1nc(O)cc(CC2CC2)n1 1776004087 NIRLBMIIIPBXCI-QMMMGPOBSA-N 206.289 2.648 0 50 BFAA CC(=O)N1CC[C@@H]2CC[C@]21c1cccs1 1875272230 JLATXSGDONDZIA-CMPLNLGQSA-N 221.325 2.606 0 50 BFAA O=C(O)CCCc1c[nH]c2ccccc12 57378 JTEDVYBZBROSJT-UHFFFAOYSA-N 203.241 2.575 0 50 BFAA endogenous,in-man CC(=O)Oc1ccc(Cl)cc1Cl 152454 KGXUYVOKSRCTEK-UHFFFAOYSA-N 205.040 2.919 0 50 BFAA CCC1CCC(N2CCCC[C@@H]2CO)CC1 213069 IUYSSHDAJPOMTJ-JXQTWKCFSA-N 225.376 2.802 0 50 BFAA CN1CCC[C@H]1CCNC1CCCCCC1 276978 BQRISDKXWFCCJB-AWEZNQCLSA-N 224.392 2.783 0 50 BFAA COc1ccc(C(=O)C(F)(F)F)c(C)c1 2518010 WXOOQBPXUNZARD-UHFFFAOYSA-N 218.174 2.749 0 50 BFAA COc1cc(C(F)(F)F)ccc1C=O 2528358 KKESHHUPAFNMPH-UHFFFAOYSA-N 204.147 2.527 0 50 BFAA in-vitro O=C(O)/C=C/c1ccc(F)cc1Br 2567811 KCEJGSKYYLDTNE-DUXPYHPUSA-N 245.047 2.686 0 50 BFAA in-vitro Cc1ccc(C(=O)NCc2ccccc2F)o1 7007569 NFFRDINLLVJEDL-UHFFFAOYSA-N 233.242 2.657 0 50 BFAA NCCOc1ccc2oc3ccccc3c2c1 12360277 LFVBNMSDBXKNRO-UHFFFAOYSA-N 227.263 2.924 0 50 BFAA CSc1ccccc1C(=O)[C@H]1CCCN(C)C1 12701568 WGQLHOKXEDSULX-NSHDSACASA-N 249.379 2.933 0 50 BFAA C/C=C(\C)CN1CCN(Cc2ccccc2)CC1 19634900 KPQPTMIJGQHPHD-CRKCGEKBSA-N 244.382 2.770 0 50 BFAA Cc1cc(C)nc(NC(=O)c2ccc(N)cc2)c1 27640579 FEWVYFMOKCOJNJ-UHFFFAOYSA-N 241.294 2.533 0 50 BFAA Cn1c(C(=O)O)cc2cc(C(F)(F)F)ccc21 68592159 BJHNBAXVLXMLIM-UHFFFAOYSA-N 243.184 2.895 0 50 BFAA in-vitro COC(=O)c1cc(F)cc(-c2cccc(N)c2)c1 85210189 VLWXZWWXHVTZSY-UHFFFAOYSA-N 245.253 2.862 0 50 BFAA in-vitro O=c1cc(NCc2ccco2)c2ccccc2o1 101010574 ZSPWZZSZBBJHHZ-UHFFFAOYSA-N 241.246 2.998 0 50 BFAA Cc1noc(C2CC2)c1NC(=O)C1[C@@H]2CCC[C@@H]12 184069321 YTXBJRNALRKATO-NXEZZACHSA-N 246.310 2.845 0 50 BFAA CC(=O)N1CCC2(CC1)C(C)=Nc1ccccc12 632729845 USBZFFNGJLSZGZ-UHFFFAOYSA-N 242.322 2.673 0 50 BFAA CCNc1ccc(Nc2nc(C)cc(C)n2)cn1 1338283255 BWMBERVEOUPSRN-UHFFFAOYSA-N 243.314 2.664 0 50 BFAA NC(=O)C1(c2ccccc2Cl)CCCC1 1582939653 LQTWSHXEBXHPOE-UHFFFAOYSA-N 223.703 2.637 0 50 BFAA CC(C)c1nc(-c2csnn2)cs1 1775991460 FEVQFUDPAFBYQB-UHFFFAOYSA-N 211.315 2.785 0 50 BFAA O=C(O)C=Cc1ccc(C(F)(F)F)c(F)c1 1857776410 LUEWWWLVURRLNN-UHFFFAOYSA-N 234.148 2.942 0 50 BFAA Cc1noc([C@H]2[C@H]3CC[C@@]2(c2cccnc2)C3)n1 1875330209 SCYXWWVRWIIVEQ-SUHUHFCYSA-N 241.294 2.608 0 50 BFAA Cc1nc(-c2ccccc2N(C)C)ccc1O 2356136956 NJWGHADDLBYELE-UHFFFAOYSA-N 228.295 2.829 0 50 BFAA COc1cc(CNC2CCCC2)cc(OC)c1 263197 IUALUIYHEPHNTC-UHFFFAOYSA-N 235.327 2.736 0 50 BFAA Cc1ccc(C(=O)Nc2ccc(F)cc2)o1 375942 NHXAZSHTQSMJPR-UHFFFAOYSA-N 219.215 2.979 0 50 BFAA C[C@H]1CCCCN1C(=O)Cc1cccs1 450269 PJBODDJXBCIVCU-JTQLQIEISA-N 223.341 2.692 0 50 BFAA Cc1cc(C)c2c(CCN)c(C)[nH]c2c1 1235018 QZWLRWSSBYUUGY-UHFFFAOYSA-N 202.301 2.594 0 50 BFAA in-vitro C[C@@H]1CCCCN1C(=O)c1ccc(Cl)nc1 1472287 XCBFDGHHGVSHQB-SECBINFHSA-N 238.718 2.750 0 50 BFAA FC(F)(F)c1ccccc1OC1CCNCC1 2513145 MBZJEIRMMYDAFD-UHFFFAOYSA-N 245.244 2.836 0 50 BFAA in-vitro CC(=O)Nc1nc2c(C)ccc(C)c2s1 4330730 AGTMSKUIPBRYFR-UHFFFAOYSA-N 220.297 2.872 0 50 BFAA Cc1ccc(C2=NNC(=O)[C@H]3CCCC[C@@H]23)cc1 6814425 CAGGMZIQVSXHRG-OLZOCXBDSA-N 242.322 2.635 0 50 BFAA OC[C@H]1CCCN(C2C3CC4CC(C3)CC2C4)C1 12343447 KJKHVVZYFANPEY-MGWQBKBZSA-N 249.398 2.515 0 50 BFAA O=C(Nc1cnc2ccccc2c1)C(F)(F)F 13208234 VTLDQNBRKSUBBX-UHFFFAOYSA-N 240.184 2.736 0 50 BFAA O=C1COc2c(Cl)cc(Cl)cc21 16083117 UUSSNGDCNFQCII-UHFFFAOYSA-N 203.024 2.569 0 50 BFAA in-vitro COc1cccc2ccc(-c3cc[nH]n3)nc12 20481762 ZNWCTMVPDGAVCA-UHFFFAOYSA-N 225.251 2.634 0 50 BFAA O=C(C1CCC1)N1CCCc2ccccc21 32918846 JDLFQWXFKDEXRP-UHFFFAOYSA-N 215.296 2.766 0 50 BFAA Nc1ccnc2ccc(OC(F)(F)F)cc12 36075558 KDFPUZKVCMQYIU-UHFFFAOYSA-N 228.173 2.716 0 50 BFAA in-vitro CCC(CC)c1nccn1CCCN(C)C 67756332 FTNGOCGDWFRSAU-UHFFFAOYSA-N 223.364 2.738 0 50 BFAA Cc1ccc(C=O)c(C)c1Br 116899999 YJCKVJMBZBBHOR-UHFFFAOYSA-N 213.074 2.878 0 50 BFAA in-vitro Oc1cccc(-c2cnc3[nH]ccc3c2)c1 143051934 JGTMLIRJNOYDQB-UHFFFAOYSA-N 210.236 2.936 0 50 BFAA CC(C)N1CCC[C@@H](c2cccc(C(=O)O)c2)C1 213711959 QAMXOKNAYKAQQF-CQSZACIVSA-N 247.338 2.973 0 50 BFAA C[C@]1(C(=O)O)CCCc2ccc(F)cc21 220063629 FIFABBAZDKTUKZ-LBPRGKRZSA-N 208.232 2.504 0 50 BFAA Clc1cccc2c1NCC21CCOCC1 236053702 AXOBFORMFVIVOT-UHFFFAOYSA-N 223.703 2.814 0 50 BFAA CC[C@H](c1ccccc1)N1CC[C@]2(CCNC2)C1 261569911 KDBAPHWLHLWOKM-CVEARBPZSA-N 244.382 2.823 0 50 BFAA CCc1cnc(S[C@@H](C)c2ncccn2)[nH]1 585133088 SCPGEVRALCVGSF-QMMMGPOBSA-N 234.328 2.615 0 50 BFAA Cc1nc([C@@]2(c3ccc(F)cc3)CC2(C)C)n[nH]1 670450282 WJGYMGNQKHHNKG-AWEZNQCLSA-N 245.301 2.968 0 50 BFAA N[C@@H]1Cc2ccc(-c3cccc4[nH]ncc34)cc2C1 2325862029 GSKXZHBYDUPUND-CYBMUJFWSA-N 249.317 2.656 0 50 BFAA CC(C)C(=O)Nc1nc2ccccc2s1 29808 CKLZVSGUBDNFIW-UHFFFAOYSA-N 220.297 2.891 0 50 BFAA CC(C)(C)NC(=O)[C@@H]1C[C@H]1c1ccccc1 301260 TZBSBJOHRGVDKB-NWDGAFQWSA-N 217.312 2.705 0 50 BFAA COC[C@@H](C)NCc1ccccc1C(F)(F)F 758876 CJBLEVZCUSNWTM-SECBINFHSA-N 247.260 2.830 0 50 BFAA O=C1c2ccccc2C[C@@H]1CN1CCCCC1 1566897 SQIWVUIDKFUELN-CYBMUJFWSA-N 229.323 2.528 0 50 BFAA NCCSC12CC3CC(CC(C3)C1)C2 1733109 OZPHISPFLDEVDS-UHFFFAOYSA-N 211.374 2.647 0 50 BFAA in-vitro COc1cc(/C=C/c2ccc(O)cc2)oc(=O)c1 2386253 VWYHYOYHRIWSJU-QPJJXVBHSA-N 244.246 2.524 0 50 BFAA biogenic,in-vitro O=Cc1ccc(-c2ccc(C(=O)O)cc2)cc1 2574079 JCEAFZUEUSBESW-UHFFFAOYSA-N 226.231 2.864 0 50 BFAA in-vitro Cc1ccc(CSc2nnc(C)o2)cc1 4918473 PJIWCZNOBMMQTP-UHFFFAOYSA-N 220.297 2.979 0 50 BFAA CCCNC(=O)/C=C/c1ccc(Cl)cc1 5468508 JFLZNEOOZPROPS-VMPITWQZSA-N 223.703 2.879 0 50 BFAA Cc1ccc(C(C)C)c(O[C@H](C)C(=O)O)c1 6009002 MLHQFMJKIPOZEV-SNVBAGLBSA-N 222.284 2.970 0 50 BFAA in-vitro CCC(=O)N[C@@H](C)c1ccc(CC)cc1 6741772 XXVUUDZEPFFANB-JTQLQIEISA-N 205.301 2.836 0 50 BFAA COC(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1 6824113 VLOZEQCBXBDHME-ZCFIWIBFSA-N 249.093 2.934 0 50 BFAA Nc1ccc(Br)c2ncccc12 19772628 UNFYSPONYGTMNH-UHFFFAOYSA-N 223.073 2.580 0 50 BFAA in-vitro O=C(Nc1ccc(F)c(F)c1)c1cccc(O)c1 19839263 FEXLLWNRONWVCA-UHFFFAOYSA-N 249.216 2.923 0 50 BFAA NC(=S)c1cc(Cl)ccc1Cl 36533330 YQORNGRDGWVQOD-UHFFFAOYSA-N 206.097 2.628 0 50 BFAA C[C@]1(O)C=C[C@H](Cc2ccccc2)CC1 45071678 OTDQKHHEHQWPIL-KBPBESRZSA-N 202.297 2.946 0 50 BFAA Cc1ccc([C@H](O)c2ccc(O)cc2)cc1 59996054 YROLENHJECWGMN-AWEZNQCLSA-N 214.264 2.782 0 50 BFAA Cc1nc(C(=O)O[C@@H]2C[C@H]3CC[C@H]2C3)cs1 225356602 NEWRVYYBSOFQEK-ATZCPNFKSA-N 237.324 2.797 0 50 BFAA C[C@H](NC(=O)[C@H]1C[C@H]1C)[C@@H]1C[C@H]2CC[C@H]1C2 248535671 YREDYQSOQHLZGZ-OKGQBYDBSA-N 221.344 2.583 0 50 BFAA Cc1cc(Br)cc(SCCO)c1 255190461 XJCZCFRLADOIIT-UHFFFAOYSA-N 247.157 2.842 0 50 BFAA COc1cncc(-c2cc(OC)ccc2OC)c1 426444432 DWKGDMZOXRWFRN-UHFFFAOYSA-N 245.278 2.774 0 50 BFAA COC(=O)/C=C1/C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 757190927 GFXDYPFXBWSGTH-UMGIHBQSSA-N 206.285 2.542 0 50 BFAA Cc1nc2c([nH]1)CN([C@@H]1CCC(C)(C)C1)CC2 1857671435 RYBZVCPLCIQWDQ-LLVKDONJSA-N 233.359 2.655 0 50 BFAA Cc1ccc2c(C(=O)N3CC[C@@H](F)C3)c[nH]c2c1 1875294016 KRXIRBFUKKJZRJ-SNVBAGLBSA-N 246.285 2.660 0 50 BFAA O=C(NCC1CC1)c1ccc2ncccc2c1F 2325789966 ZDRDMDPCCTWIMD-UHFFFAOYSA-N 244.269 2.514 0 50 BFAA CCC(CC)NC(=O)[C@@H](C)Oc1ccccc1 31778 CZWNJQMOHJBILR-LLVKDONJSA-N 235.327 2.759 0 50 BFAA C[C@H](Cc1ccccc1)NC(=O)c1ccco1 247750 HQBLYOPXFMIQNV-LLVKDONJSA-N 229.279 2.641 0 50 BFAA Cc1ccccc1Cn1c(C)c[n+]2ccsc12 281310 FDCMFKDWPYNTEX-UHFFFAOYSA-N 243.355 2.953 0 50 BFAA C[C@H]1C[C@H]1C(=O)NCCc1ccc(Cl)cc1 372121 JLDUFFNPANUXPU-JOYOIKCWSA-N 237.730 2.655 0 50 BFAA Cn1c(CN2CCCCC2)nc2ccccc21 386897 QPXWTVJICGZYSD-UHFFFAOYSA-N 229.327 2.559 0 50 BFAA CCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1C 473805 VYEOUMPUADYWQG-SECBINFHSA-N 241.718 2.552 0 50 BFAA CCCCN[C@H](C)[C@@H]1COc2ccccc2O1 1823189 XFPBCCYIVGJTOP-RISCZKNCSA-N 235.327 2.605 0 50 BFAA biogenic O=C(O)[C@H]1CCCC[C@@H]1C(=O)c1ccccc1 2570080 FLPQLUGZLPSVOG-RYUDHWBXSA-N 232.279 2.760 0 50 BFAA O=C(O)C[C@@H](c1ccsc1)n1cccc1 3883947 DUPNBMRWTIBTOA-JTQLQIEISA-N 221.281 2.614 0 50 BFAA Cc1sc(-n2cccc2)c(C(=O)O)c1C 4065685 DFPDCVOFPAYSKG-UHFFFAOYSA-N 221.281 2.854 0 50 BFAA in-vitro Cc1cccc(-c2nc(CC(=O)O)cs2)c1 4206539 DLMICSWBTHJZTQ-UHFFFAOYSA-N 233.292 2.746 0 50 BFAA Cc1cc(C[C@@H]2CCCCCN2)cc(C)n1 4234901 SPGNEZQSVLUIBF-AWEZNQCLSA-N 218.344 2.773 0 50 BFAA in-vitro Cc1cccc(C[C@@H](CO)c2ccccc2)n1 4558720 QVNGRAVUWMOPLO-AWEZNQCLSA-N 227.307 2.709 0 50 BFAA CCN(CC)C(=O)NCc1ccccc1Cl 4834688 CYVRGOBILBSWNZ-UHFFFAOYSA-N 240.734 2.891 0 50 BFAA CN(C)c1nc(-c2cccs2)cs1 5719594 JFUFBKAOFPSTAB-UHFFFAOYSA-N 210.327 2.938 0 50 BFAA CCNCc1cccc(C(F)(F)F)c1 6385343 MGSDOCJVFWZVGG-UHFFFAOYSA-N 203.207 2.815 0 50 BFAA in-vitro CC(C)(C)[C@H](Cn1ccnc1)NCc1ccoc1 62136897 BQQSQDZCOJXSBS-ZDUSSCGKSA-N 247.342 2.681 0 50 BFAA COC(=O)c1ccc2[nH]c(-c3ccoc3)nc2c1 67695900 GTNICGMCPHWWDQ-UHFFFAOYSA-N 242.234 2.610 0 50 BFAA CCc1cnc(NCc2cccn2C)s1 134993414 QUKOPOGQJZEQID-UHFFFAOYSA-N 221.329 2.656 0 50 BFAA CCOc1ccccc1N(C)Cc1cncnc1 188694798 YSEVKAKVQLHKNV-UHFFFAOYSA-N 243.310 2.512 0 50 BFAA CCC(CC)(CC)SCCC(N)=O 191932205 FYMSQYNOCKSMIO-UHFFFAOYSA-N 203.351 2.564 0 50 BFAA Cc1ccc(C(C)C)c2oc(=O)cc(O)c12 199261459 XKTQYDQSGSNEEO-UHFFFAOYSA-N 218.252 2.930 0 50 BFAA CSc1nc(Cl)n2ncc(C(C)C)c2n1 221951773 RRBPEHJNXHJYQN-UHFFFAOYSA-N 242.735 2.623 0 50 BFAA in-vitro Cc1cnn(CCN(C)[C@H]2CCCC[C@H]2C)c1 253416659 DGAOYZRZPUGCPK-KGLIPLIRSA-N 235.375 2.702 0 50 BFAA Cc1nc([C@@H](C)N(C)c2ccsc2)no1 585116116 HPBMMWHOFNPMJB-SSDOTTSWSA-N 223.301 2.637 0 50 BFAA Cc1cn(C)nc1NCc1cccc(Cl)c1 657811751 YLSXPJDYFZNJGA-UHFFFAOYSA-N 235.718 2.994 0 50 BFAA O=Cc1cccc(F)c1-c1ccncc1F 725242635 PBIMGKOYHYZVRX-UHFFFAOYSA-N 219.190 2.839 0 50 BFAA CC[C@]12C[C@@H]1CN(Cc1ccccc1C(=O)O)C2 1772815768 WARXVOHCFGTYLM-IUODEOHRSA-N 245.322 2.617 0 50 BFAA Oc1ccc(-c2c[nH]nc2C(F)(F)F)cc1 1875360850 KHKZSZJBDYJKSO-UHFFFAOYSA-N 228.173 2.801 0 50 BFAA Cn1ccc2cccc(C(=O)NC3CCCC3)c21 2325797516 BQRHMHHJSBOLJK-UHFFFAOYSA-N 242.322 2.851 0 50 BFAA CCc1nnc(NC(=O)c2ccc(C)cc2)s1 175557 MZOXDAAJYAZDTC-UHFFFAOYSA-N 247.323 2.661 0 50 BFAA COc1ncc(Cc2ccc(C)cc2)cc1O 186204 BMCWHXWBSKGWPV-UHFFFAOYSA-N 229.279 2.695 0 50 BFAA biogenic c1ccc(CCNC2CCCCCC2)nc1 212531 AAPRJXIGCQRDSB-UHFFFAOYSA-N 218.344 2.937 0 50 BFAA Cn1cnc(-c2ccccc2)cc1=S 409862 HRJCYAHALIXFKS-UHFFFAOYSA-N 202.282 2.817 0 50 BFAA O=C(c1ccncc1)c1cccc(Cl)c1 1567902 JPQDGWGFDQVTFH-UHFFFAOYSA-N 217.655 2.966 0 50 BFAA in-vitro COc1cc2nc(C)sc2cc1OC 1786835 SOWIEKUNTPLSOC-UHFFFAOYSA-N 209.270 2.622 0 50 BFAA in-vitro CCCNC(C)(C)C(=O)Nc1ccccc1C 2019972 PTTCXIMECHPBJX-UHFFFAOYSA-N 234.343 2.712 0 50 BFAA in-man COc1ccc2[nH]c3c(c2c1)CCCC3=O 3684570 JEPVUVSCDRJVCQ-UHFFFAOYSA-N 215.252 2.696 0 50 BFAA biogenic,in-vitro CCOC(=O)c1c(N)sc2c1CCCCC2 3866064 XTUHIGALMIGZST-UHFFFAOYSA-N 239.340 2.776 0 50 BFAA in-vitro C[C@@H]1CCC[C@H](N(C)C2CCN(C)CC2)C1 4022666 JOJOOBJTCMOJGP-OCCSQVGLSA-N 224.392 2.591 0 50 BFAA CCC(=O)N[C@H](C)c1ccc(CC)cc1 6741771 XXVUUDZEPFFANB-SNVBAGLBSA-N 205.301 2.836 0 50 BFAA Cc1cc2c(Cl)nc(Cl)nc2[nH]1 59268664 QOEYSTWXKJBVQE-UHFFFAOYSA-N 202.044 2.573 0 50 BFAA in-vitro CCc1ccccc1NC(=O)CCN[C@H](C)CC 65526205 MXYXLPXEAIIAMJ-GFCCVEGCSA-N 248.370 2.966 0 50 BFAA CCOc1ccc(Br)c(F)c1 78469007 ZLECMIQMTYRKRG-UHFFFAOYSA-N 219.053 2.987 0 50 BFAA in-vitro CN(C(=O)OC(C)(C)C)c1ccc(CO)cc1 79162527 UDNLKEJCLRKWKY-UHFFFAOYSA-N 237.299 2.550 0 50 BFAA COc1ccc(C(F)(F)F)c(C=O)c1 91252080 QFKMLBPPJRRDBX-UHFFFAOYSA-N 204.147 2.527 0 50 BFAA c1ccc(Cn2nnc3c2CCCCCC3)cc1 96032199 ASEWZJKKRTXARW-UHFFFAOYSA-N 241.338 2.985 0 50 BFAA O=C(Nc1ccc(Cl)cn1)N1CCCCC1 243316274 LKQNLMUKGJVTPB-UHFFFAOYSA-N 239.706 2.753 0 50 BFAA Cc1cccc2c1c(-c1ccncc1)nn2C 952987606 KHBJHTHFQWHBNM-UHFFFAOYSA-N 223.279 2.944 0 50 BFAA Cc1nc(-c2cnn(-c3cccnc3)c2)cs1 1875332370 PTYBUXHIIQUBSZ-UHFFFAOYSA-N 242.307 2.699 0 50 BFAA CC(C)(C)c1ccc(NC(=O)CCC(=O)O)cc1 31534 JGWXRSSZVQEDGI-UHFFFAOYSA-N 249.310 2.787 0 50 BFAA OC1CCN(Cc2cccc3ccccc23)CC1 239844 HCSVDNINDVHMPI-UHFFFAOYSA-N 241.334 2.797 0 50 BFAA O=C(O)c1ccc(Cl)c2ncccc12 1723913 YCJCLDOHESCJRP-UHFFFAOYSA-N 207.616 2.586 0 50 BFAA in-vitro O=C(O)c1cc2c(Br)cccc2[nH]1 2582709 SXFVRIRMDXONCT-UHFFFAOYSA-N 240.056 2.629 0 50 BFAA in-vitro CCOc1ccccc1OCCN1CCCCC1 5024319 DCNKBOXICCFGJV-UHFFFAOYSA-N 249.354 2.950 0 50 BFAA CC[C@@H](C)NC(=O)NC1CCC(C)CC1 13746342 XHWVEVGEDGSVDG-HSOILSAZSA-N 212.337 2.663 0 50 BFAA C[C@@H]1CCCCN1C[C@@H](O)c1ccccc1 13879020 OAOFQUQSNBKOGF-TZMCWYRMSA-N 219.328 2.594 0 50 BFAA Nc1ccc(N2CCCCCC2)c(F)c1 20135783 GFCUPQCNINYJKS-UHFFFAOYSA-N 208.280 2.788 0 50 BFAA CN[C@@]1(c2ccccc2Cl)CCCCC1=O 36294079 YQEZLKZALYSWHR-CYBMUJFWSA-N 237.730 2.898 0 50 BFAA fda Cc1ncnc(NCCCOC2CCCC2)c1C 91416665 PFNDHELWNCEUPJ-UHFFFAOYSA-N 249.358 2.855 0 50 BFAA CCS[C@@H]1CCCC[C@@H]1NCc1ccon1 189513246 XDDSSJLNAQVRIT-NWDGAFQWSA-N 240.372 2.829 0 50 BFAA CCCCC[S@](=O)c1ccoc1C 191201739 MTVFZTQWLKSDDK-ZDUSSCGKSA-N 200.303 2.886 0 50 BFAA C[C@@H](CCc1ccccc1F)Nc1cnc[nH]1 225510934 JOUDZVLTWHVWPH-JTQLQIEISA-N 233.290 2.982 0 50 BFAA Cc1ccsc1[C@H](C)N[C@@H]1CCC[C@H]1CO 252485886 BKJOMYKQWQREKQ-SDDRHHMPSA-N 239.384 2.868 0 50 BFAA CCOc1ncccc1-c1nccn1C(C)C 534650591 RLXSTVLWBHZWFC-UHFFFAOYSA-N 231.299 2.925 0 50 BFAA Cc1nn2cccnc2c1-c1ccccc1 2100555623 ZIIZYFYJSSQQOR-UHFFFAOYSA-N 209.252 2.705 0 50 BFAA CCn1ncc(-c2cc(OC)ccc2O)c1C 2356147862 UFXYFWAZFGPLND-UHFFFAOYSA-N 232.283 2.593 0 50 BFAA C[C@H](c1ccccc1)N1C(=O)OC(C)(C)[C@]1(C)O 90605 VYPJIHOZAOLARI-YGRLFVJLSA-N 249.310 2.687 0 50 BFAA O=C(O)c1ccc(COc2ccccc2)cc1 166323 GRBUVHSYBRTCIB-UHFFFAOYSA-N 228.247 2.964 0 50 BFAA in-vitro O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCCO1 474539 HNPLEYZIPLVJED-SNVBAGLBSA-N 243.665 2.597 0 50 BFAA CC(=O)c1c(C)nc(-c2ccc(C)cc2)n1O 532466 BNWHJXUTANUZIZ-UHFFFAOYSA-N 230.267 2.607 0 50 BFAA CCCNC(=O)Oc1ccc(SC)cc1 1732628 BQURLPAGYVPTNG-UHFFFAOYSA-N 225.313 2.907 0 50 BFAA O=C(O)c1c(F)ccc(Cl)c1Cl 2575244 OOQKLNYJVMPYIF-UHFFFAOYSA-N 209.003 2.831 0 50 BFAA in-vitro NCCc1ccc(CCc2ccccc2)cc1 2599335 BKRAIFUYJHWSEW-UHFFFAOYSA-N 225.335 2.973 0 50 BFAA in-vitro CCCCNC(=O)Nc1ccc(OC)cc1C 2765814 DUJSBEABGVVRQC-UHFFFAOYSA-N 236.315 2.925 0 50 BFAA CCCOc1cccc2[nH]c(C(=O)O)cc12 4234964 NJHLAKZJVBZOBQ-UHFFFAOYSA-N 219.240 2.655 0 50 BFAA Cc1cc(C)c(C(=O)CCC(=O)O)c(C)c1 5538367 QWOIQKXIBFKZKN-UHFFFAOYSA-N 220.268 2.659 0 50 BFAA Cn1c(C23CC4CC(CC(C4)C2)C3)n[nH]c1=S 5748884 ANNIHKXRSJJMHU-UHFFFAOYSA-N 249.383 2.945 0 50 BFAA CNC(=O)CCc1ccc(C(C)(C)C)cc1 10335538 YRUNCMZFEODCBM-UHFFFAOYSA-N 219.328 2.663 0 50 BFAA CC(=O)c1nccc2c1[nH]c1ccccc12 13305154 NXZSUJKPVSDFNF-UHFFFAOYSA-N 210.236 2.919 0 50 BFAA biogenic CCN1CCC[C@H]1CNCC1CCCCC1 22936551 FKQNVDLKCQFMQV-AWEZNQCLSA-N 224.392 2.641 0 50 BFAA O=C(O)c1c(Cl)ccc(Cl)c1F 38529756 GPDYPRHGLQZRIP-UHFFFAOYSA-N 209.003 2.831 0 50 BFAA CC(C)(C)C(=O)O[C@@H]1C(=O)CC[C@@H]2[C@H]1C2(C)C 43763569 LMTBILDNMJSHOU-FBIMIBRVSA-N 238.327 2.579 0 50 BFAA CC(C)CSc1ncc(Br)cn1 65337509 QKOBLHJEXDEJHR-UHFFFAOYSA-N 247.161 2.987 0 50 BFAA in-vitro Nc1scc(-c2cccs2)c1C(=O)O 82360643 NYDAGLIKCCZNKF-UHFFFAOYSA-N 225.294 2.757 0 50 BFAA Cc1ccc(Cl)c(CN2CCOC2=O)c1F 95523033 QPXMFSFIQVVSDG-UHFFFAOYSA-N 243.665 2.740 0 50 BFAA Fc1cc(CNCC2CC2)c2ncccc2c1 130435679 YNZSGZWVRQQREV-UHFFFAOYSA-N 230.286 2.874 0 50 BFAA CC[C@H](CCO)NCc1ccc(Cl)cc1F 162983917 YMEXMZZPCCUUDB-LLVKDONJSA-N 245.725 2.730 0 50 BFAA C[C@]1(C(F)(F)F)NCCc2ccccc21 170091555 HZKBHOOJCXSPRR-JTQLQIEISA-N 215.218 2.610 0 50 BFAA CCc1nnc(CNc2c(C)cccc2OC)o1 194557655 KTWHTVSESGLFDT-UHFFFAOYSA-N 247.298 2.561 0 50 BFAA Cc1ccc([C@H](C)CCN(C)Cc2ccn[nH]2)o1 215567570 POYKUJQUEOEDFE-LLVKDONJSA-N 247.342 2.937 0 50 BFAA COc1ccc2c(c1)[C@@H]1[C@@H]3[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5[C@H]24 247912613 ACYLUOJGJPYKPD-AFJJVBLESA-N 210.276 2.628 0 50 BFAA O=C(O)[C@H]1CC[C@H](OCc2ccccc2)CC1 606303089 CIHKUOPEMAFMJE-JOCQHMNTSA-N 234.295 2.847 0 50 BFAA C1CC1CN1CCC(c2nc(C3CC3)no2)CC1 1615613357 IHRDKJVGIICTLD-UHFFFAOYSA-N 247.342 2.536 0 50 BFAA C=CC(=O)NCCCn1c(C)cc2ccccc21 1775998309 WOGHNUZELJFHPU-UHFFFAOYSA-N 242.322 2.642 0 50 BFAA C[C@H]1CN(C[C@H]2C=CCCCC2)CCC1=O 1875281331 HVQFYYJZUXOWQB-STQMWFEESA-N 221.344 2.644 0 50 BFAA O=C(NCc1ccco1)c1cccc(Cl)c1 59330 GVNMWSWETMWSQV-UHFFFAOYSA-N 235.670 2.863 0 50 BFAA O=S1c2ccccc2Nc2ccccc21 399957 DSAFSORWJPSMQS-UHFFFAOYSA-N 215.277 2.910 0 50 BFAA in-vitro COC(=O)c1cc(Cl)c2ccccc2c1O 610759 YXHHYWLUQOYFSN-UHFFFAOYSA-N 236.654 2.985 0 50 BFAA NNc1c(Cl)cc(C(F)(F)F)c(F)c1F 2540178 CMWKKODQRWOJDL-UHFFFAOYSA-N 246.566 2.923 0 50 BFAA in-vitro CCOc1cc(C=O)c(Cl)cc1OC 2781892 KNZCAGCZYDUJNP-UHFFFAOYSA-N 214.648 2.560 0 50 BFAA in-vitro CCCCSC[C@@H](COC(C)C)OC(C)=O 2977586 QPPPCVIPIYILKC-GFCCVEGCSA-N 248.388 2.876 0 50 BFAA Clc1ccc(NC2CCNCC2)cc1 4312771 KCOHNRMFXQLTCW-UHFFFAOYSA-N 210.708 2.504 0 50 BFAA CNC(=O)c1ccccc1Nc1ccccc1 9379154 QZVQCYVFZSHNHW-UHFFFAOYSA-N 226.279 2.790 0 50 BFAA C1CCC(CCOCC2CCNCC2)CC1 12138147 DVSYREHIMLLHIY-UHFFFAOYSA-N 225.376 2.973 0 50 BFAA in-vitro O=C(O)c1cncc(-c2ccc(F)cc2F)c1 20443342 XOVWLKSCPLTSEW-UHFFFAOYSA-N 235.189 2.725 0 50 BFAA in-vitro CCCCC[S@](=O)c1cccc(O)c1 191200494 MJIMVUHEPQHSCS-AWEZNQCLSA-N 212.314 2.690 0 50 BFAA COC1(C)CCN(Cc2cccc(F)c2)CC1 271717615 KKPGYIFSAIPVBL-UHFFFAOYSA-N 237.318 2.827 0 50 BFAA Fc1cccc([C@H]2C[C@H](Nc3cnccn3)C2)c1 280870497 ZZOSYMLKKWPABS-AULYBMBSSA-N 243.285 2.974 0 50 BFAA C1C[C@H]2C[C@H](NC3CCC4(CC3)CC4)CCN2C1 335779393 SPVYLTYLPAOITA-CABCVRRESA-N 248.414 2.926 0 50 BFAA Cc1ccncc1[C@@H](C)N[C@H](C)c1nccn1C 678770302 LCTJIIZXCOPGIL-VXGBXAGGSA-N 244.342 2.535 0 50 BFAA CC(C)=C=CC(C)(C)[C@H](C)N[C@H]1C[C@@H](CO)C1 1775987250 UFRRXLOXSRLQPS-MELADBBJSA-N 237.387 2.883 0 50 BFAA Cc1ccc(Cn2c(N)nc3ccccc32)cc1 432105 HUXAXCIUQJSPOG-UHFFFAOYSA-N 237.306 2.975 0 50 BFAA CCC(CC)[C@H](O)C[C@H](O)CC(C)C 1655718 MPURTQWGOYOLEZ-VXGBXAGGSA-N 202.338 2.581 0 50 BFAA O=C1OCC/C1=C\Nc1ccc(Cl)cc1 2023921 NAXALCDJYDKLJN-BQYQJAHWSA-N 223.659 2.583 0 50 BFAA CCOc1cc(F)ccc1Br 2383963 MCLBVTBTDQSOSY-UHFFFAOYSA-N 219.053 2.987 0 50 BFAA in-vitro NC(=O)c1cccc(OCc2ccccc2F)c1 6703213 YNFJZLDPGQMFPF-UHFFFAOYSA-N 245.253 2.504 0 50 BFAA O=C(c1ccc(Cl)cc1)[C@@H]1CCCNC1 11630737 IXWBWTMJACOQNG-SNVBAGLBSA-N 223.703 2.522 0 50 BFAA Cc1cc(C(=O)N2CCCCC2)c(C)o1 16602420 GFKVFACASMCVNJ-UHFFFAOYSA-N 207.273 2.523 0 50 BFAA Cc1n[nH]c(C)c1-c1nc(-c2ccsc2)no1 19145544 OAYYIGPGJDFYFV-UHFFFAOYSA-N 246.295 2.805 0 50 BFAA O=C(Cn1ccc2ccccc21)NC1CCCC1 32096020 YVZZAEHDRFNIJB-UHFFFAOYSA-N 242.322 2.700 0 50 BFAA COc1cccc(Oc2cc(Cl)ncn2)c1 37342090 GMSWOTHHSIUXIJ-UHFFFAOYSA-N 236.658 2.931 0 50 BFAA CCOC(=O)C(=O)c1cc(Cl)ccc1Cl 42898811 OUWSHRVGVNBTAE-UHFFFAOYSA-N 247.077 2.739 0 50 BFAA C[C@]1(c2cccc(C(F)(F)F)c2)CCNC1 51955264 BDKRJJZDGSDDRH-NSHDSACASA-N 229.245 2.956 0 50 BFAA CCOC(=O)C(F)(F)c1cc(C)ccc1C 53302972 PKFAWWWWIJYIOZ-UHFFFAOYSA-N 228.238 2.958 0 50 BFAA Clc1cccn2c(Br)cnc12 89202215 CSASTWOEKKASPD-UHFFFAOYSA-N 231.480 2.750 0 50 BFAA in-vitro C[C@@H]1C[C@]1(Cl)[S@@](=O)c1ccccc1 169724572 BASQNYBLNPBUEJ-DVYJOKAKSA-N 214.717 2.769 0 50 BFAA CCCCNC[C@H]1CCCN2CCCC[C@@H]12 170622847 UQHMEAZLQPVXPC-KGLIPLIRSA-N 224.392 2.641 0 50 BFAA O=C(NC[C@H]1CC=CCC1)C1CC(F)(F)C1 336168004 DBDHOFGBMCUZGL-VIFPVBQESA-N 229.270 2.504 0 50 BFAA CC(C)[C@@H]1CCC(=O)C[C@H]1N(C)C(C)C 725363168 YXFVJGASGNFKOF-QWHCGFSZSA-N 211.349 2.720 0 50 BFAA C[C@H]1C[C@@H](C)N[C@H](C2CCCCC2)[C@H]1CN 757216136 XYBJZRPJUJXPHN-UZGDPCLZSA-N 224.392 2.528 0 50 BFAA Cc1nc(-c2ccccc2)sc1C(=O)O 122847 CRSMRBYEBHOYRM-UHFFFAOYSA-N 219.265 2.817 0 50 BFAA in-vitro CCOc1ccc2c(C)cc(=O)oc2c1OCC 300810 MQEWGRPQDIUPMQ-UHFFFAOYSA-N 248.278 2.899 0 50 BFAA O=C(CSc1ccccc1)NCc1ccco1 307390 BPIASVWLNHWJTN-UHFFFAOYSA-N 247.319 2.688 0 50 BFAA Nc1c(Br)cnc2ccccc12 331160 TYGUEEGQSYNEHB-UHFFFAOYSA-N 223.073 2.580 0 50 BFAA in-vitro CC(=O)Nc1ccc2c(c1)-c1ccccc1C2=O 398881 DREYCDVKXGSLCN-UHFFFAOYSA-N 237.258 2.856 0 50 BFAA Cc1ccc(C(=S)N2C[C@H](C)O[C@@H](C)C2)cc1 611600 DFDNXZXUIMJVLF-RYUDHWBXSA-N 249.379 2.780 0 50 BFAA CCOP(=O)(OCC)c1ccc(OC)cc1 2560652 OTUVLLBGFFIEJO-UHFFFAOYSA-N 244.227 2.587 0 50 BFAA in-vitro O=C(O)c1ccnc2ccc(Cl)cc12 4384319 ZRYMLJGLNAOPNK-UHFFFAOYSA-N 207.616 2.586 0 50 BFAA in-vitro O=C(Nc1ccc2nc[nH]c2c1)c1cccs1 4625638 LMJKYKFNFJYMDG-UHFFFAOYSA-N 243.291 2.877 0 50 BFAA CCc1cc(C(=O)Nc2ccon2)cs1 13745836 HBTPQZRBADFAKG-UHFFFAOYSA-N 222.269 2.551 0 50 BFAA c1ccc2c(O[C@@H]3CCNC3)cccc2c1 14632261 JDZBOWZMSWOEJT-GFCCVEGCSA-N 213.280 2.581 0 50 BFAA C1CCN(NC2C3CC4CC(C3)CC2C4)CC1 19169030 IPDZGLBNEMNAPY-UHFFFAOYSA-N 234.387 2.802 0 50 BFAA CCC[C@H](O)c1ccc(-c2cncnc2)cc1 32550979 OZHMMMHYGBLSGR-AWEZNQCLSA-N 228.295 2.977 0 50 BFAA CC(=O)c1cc(-n2ncc3cccnc32)cs1 65404730 BAQGQDLRBWZUFJ-UHFFFAOYSA-N 243.291 2.685 0 50 BFAA O=C(c1ccccn1)c1coc2ccc(O)cc12 95094133 RGOCAKAKTJSDFR-UHFFFAOYSA-N 239.230 2.764 0 50 BFAA CN(Cc1ccccc1)C[C@H]1C(=O)[C@H]2CC[C@H]1C2 105115314 BWUZBNNHJQRYEW-SOUVJXGZSA-N 243.350 2.734 0 50 BFAA CC[C@@H](N[C@@H](C)c1nccn1C)c1ccncc1 183017770 MZEPRXJIEHYMPN-WCQYABFASA-N 244.342 2.617 0 50 BFAA CC(C)(C)OC(=O)N1[C@@H]2C=CC[C@@H]1C=CC2 261361468 HYCXKXFMPAFVIZ-XYPYZODXSA-N 221.300 2.881 0 50 BFAA Cc1nocc1COc1ccccc1F 579549682 MQUBDCGCWDWLDF-UHFFFAOYSA-N 207.204 2.701 0 50 BFAA c1csc(-c2nc(-c3ccncc3)no2)c1 78560 WCXPLOTWKLFABR-UHFFFAOYSA-N 229.264 2.860 0 50 BFAA Cc1cccc(NC(=O)c2ccccc2F)n1 408641 XPHOBPCUQFWFEF-UHFFFAOYSA-N 230.242 2.781 0 50 BFAA Cc1cc(C(=O)NCc2ccco2)cs1 1054106 BTSKZYGUYIHVCJ-UHFFFAOYSA-N 221.281 2.580 0 50 BFAA Cc1cccc(OC(C)(C)C(=O)O)c1C 1459712 BVMJEFFWDAOAAU-UHFFFAOYSA-N 208.257 2.545 0 50 BFAA in-vitro O=C1N[C@@]23CC=CC[C@@]12CCCCCC3 1711595 VFYRKGAMLRZLPZ-STQMWFEESA-N 205.301 2.546 0 50 BFAA CCOC(=O)Cc1ccccc1C(F)(F)F 2560321 OWPVWCWCZGEPGF-UHFFFAOYSA-N 232.201 2.811 0 50 BFAA c1ccc2sc(C3CCNCC3)nc2c1 3883929 CYASANLJWAJEPW-UHFFFAOYSA-N 218.325 2.763 0 50 BFAA in-vitro CNCc1cccc(OCc2ccccc2)c1 5910035 SBJWBJUUVJTIME-UHFFFAOYSA-N 227.307 2.985 0 50 BFAA COCCc1ccc(Br)cc1 19425539 IVWZNFTXJKWJMJ-UHFFFAOYSA-N 215.090 2.638 0 50 BFAA in-vitro O=C(O)c1cnc2cc(Cl)ccc2c1 32099208 UFGQWTWQNIGAEB-UHFFFAOYSA-N 207.616 2.586 0 50 BFAA in-vitro CCN(CC)C(=O)c1c[nH]c2ccccc12 35134603 AQDHSDDONXQQHG-UHFFFAOYSA-N 216.284 2.650 0 50 BFAA C[C@H](CC1CC1)Nc1cccc(CO)c1 183867615 ITAHBKOKASWWDB-SNVBAGLBSA-N 205.301 2.779 0 50 BFAA Cc1cc2c[nH]nc2cc1[C@H]1CCN[C@H](C)C1 757216393 ZUNLHOGMBHEDPC-MNOVXSKESA-N 229.327 2.727 0 50 BFAA C=CC(=O)N1CCC[C@H]1c1ccc(CC)o1 952887802 AHZKKVUPUTUJIX-NSHDSACASA-N 219.284 2.692 0 50 BFAA Cc1ccc([C@@H](C)NC(=O)c2cc[nH]c2C)cn1 1857684064 XVGGXRZJPJRQFB-SNVBAGLBSA-N 243.310 2.518 0 50 BFAA O=C(O)c1ccc([C@]2(F)CC2(F)F)cc1 1857787361 ZAKLSBLHZDCFGN-SECBINFHSA-N 216.158 2.589 0 50 BFAA Oc1cccc(-c2nccn2C2CC2)c1 1875251052 SVWKSPFTVFDQOG-UHFFFAOYSA-N 200.241 2.591 0 50 BFAA C[C@@H]1C[C@@H]1CCCSCC1=NOCC1 2325810103 OMQWQGQVGOLEFS-ZJUUUORDSA-N 213.346 2.932 0 50 BFAA O=C(NCc1ccc(Cl)cc1)c1ccco1 37607 ZYYQNPNUQWHIFR-UHFFFAOYSA-N 235.670 2.863 0 50 BFAA CCOc1ccc(C(=O)Nc2nccs2)cc1 311258 LJEWEQSEYGLEFC-UHFFFAOYSA-N 248.307 2.794 0 50 BFAA C[C@H]1Oc2ccccc2O[C@@]1(O)c1ccccc1 391696 OMVNOIPTRCIZJH-IAQYHMDHSA-N 242.274 2.692 0 50 BFAA Cc1ccc(OCC(=O)NC2CCCC2)c(C)c1 445041 RNUKVIKRAXOZBA-UHFFFAOYSA-N 247.338 2.741 0 50 BFAA Cc1ccn2c(CO)c(-c3ccccc3)nc2c1 1406103 OJGSWHAQWLEGTE-UHFFFAOYSA-N 238.290 2.802 0 50 BFAA Cc1ccc(C(=O)c2ccc(O)cc2)cc1 1587596 HPJMSFQWRMTUHT-UHFFFAOYSA-N 212.248 2.932 0 50 BFAA in-vitro C[C@@H]1C[C@H]1C(=O)Nc1nc2c(s1)CCCC2 3294712 VJWYILXDIGYAIS-HTQZYQBOSA-N 236.340 2.616 0 50 BFAA CCC(=O)Nc1cccc2nc(C)ccc12 4736798 HOCRPXZHFVTSSR-UHFFFAOYSA-N 214.268 2.892 0 50 BFAA CCCN1CCC(N2CCCC[C@H]2C)CC1 4989470 ZQTVXCHWJBAUDF-CYBMUJFWSA-N 224.392 2.735 0 50 BFAA CCOc1cccc(CNCc2ccco2)c1 5019474 UIGLLINBNCWDJU-UHFFFAOYSA-N 231.295 2.968 0 50 BFAA COc1cnc(-c2ccccc2)nc1Cl 5918995 UFVSWOWNNFETRC-UHFFFAOYSA-N 220.659 2.806 0 50 BFAA CCCCC(=O)N(C)c1ccccc1C(=O)O 11638454 ROZUZHFOPFSZSN-UHFFFAOYSA-N 235.283 2.538 0 50 BFAA Oc1ccc(Cl)c(OC(F)(F)F)c1 12359287 ZLZLXAOLRWLDID-UHFFFAOYSA-N 212.554 2.944 0 50 BFAA in-vitro C[C@@H](NC(=O)NC1CCCCC1)c1ccncc1 12950289 ULXITJBFDNTQEN-LLVKDONJSA-N 247.342 2.775 0 50 BFAA COC(=O)N[C@@H](C)c1cc(C)ccc1C 13320928 HRJSIZLICYYFEB-JTQLQIEISA-N 207.273 2.720 0 50 BFAA c1ccc2[nH]c(-c3cccc4nonc34)nc2c1 97463589 GYHPJKYPWHFAMC-UHFFFAOYSA-N 236.234 2.766 0 50 BFAA Clc1cc(Br)c2c(c1)CNCC2 126649452 IBNXOISQNWZPPK-UHFFFAOYSA-N 246.535 2.748 0 50 BFAA O=C(O)c1cnoc1-c1ccc(F)cc1Cl 127218525 YPPVPQQVAPTUFH-UHFFFAOYSA-N 241.605 2.832 0 50 BFAA C[C@@H](CSC(C)(C)C)Nc1cnn(C)c1 127401521 CZWLEJFADJMWNC-VIFPVBQESA-N 227.377 2.752 0 50 BFAA Cc1cnc(COc2ccc3c(c2)CCC3=O)o1 186852351 WOSXSYBZSOKNSH-UHFFFAOYSA-N 243.262 2.691 0 50 BFAA CC(C)(C)CCN[C@@H]1CCC[C@H]1CCO 188596917 JZLHZCVQJUITPZ-NWDGAFQWSA-N 213.365 2.563 0 50 BFAA CC(=O)N1CC2(CCC2)c2c(F)cccc21 335887472 WXJBYBVEXXHQQN-UHFFFAOYSA-N 219.259 2.614 0 50 BFAA Cc1ccc2n[nH]cc2c1[C@H]1NCCC[C@@H]1C 757213670 QNPNOCSIKUITDQ-HZMBPMFUSA-N 229.327 2.932 0 50 BFAA Cc1ccc2n[nH]cc2c1[C@@H]1CNCC[C@H]1C 757215596 WGIRJMBUKYLWPS-MWLCHTKSSA-N 229.327 2.584 0 50 BFAA C=CC(=O)N[C@@H](C)c1ccc2ncsc2c1 820436804 NALOEBFNEMVDOL-QMMMGPOBSA-N 232.308 2.660 0 50 BFAA CC[C@@H]1OC[C@@H]2Cc3ccccc3[C@H]2O1 822742341 GRUQFUUIIULWTC-UHTWSYAYSA-N 204.269 2.683 0 50 BFAA C=CC(=O)N[C@H](c1ccccc1F)C(C)C 1353214764 GWKLMTHAIBGJEJ-ZDUSSCGKSA-N 221.275 2.825 0 50 BFAA Nc1cccc(NC(=O)c2ccccc2)c1 123066 IRFCTHNJIWUUJZ-UHFFFAOYSA-N 212.252 2.521 0 50 BFAA in-vitro COC(=O)c1cc(C)c(Br)s1 159070 RJWZFHRMQRWEIH-UHFFFAOYSA-N 235.102 2.606 0 50 BFAA in-vitro O=CNc1ccc2c(c1)Cc1ccccc1-2 393703 DOSNGAGLKBWUSU-UHFFFAOYSA-N 209.248 2.826 0 50 BFAA O=C(O)c1ccc(CNc2ccccc2)cc1 461864 OCIROXLDYGJVJX-UHFFFAOYSA-N 227.263 2.997 0 50 BFAA Cc1ccc(C)c(C(=O)NCc2ccccn2)c1 514724 LELFELRXKBXWHQ-UHFFFAOYSA-N 240.306 2.628 0 50 BFAA CC(=O)c1cn(Cc2ccc(F)cc2)c(C)n1 4002658 DFAWHFIZXSIPFQ-UHFFFAOYSA-N 232.258 2.582 0 50 BFAA Cc1ccc(-n2ncc3c(Cl)ncnc32)cc1 11919804 JJCDCMDVPYDUEU-UHFFFAOYSA-N 244.685 2.777 0 50 BFAA Nc1[nH]nc2cccc(Oc3ccccc3)c12 15020395 YQZSMAKADDTQKQ-UHFFFAOYSA-N 225.251 2.937 0 50 BFAA CCNC/C=C/COc1ccc(CC)cc1 16623551 DATTUVHMSORZHT-AATRIKPKSA-N 219.328 2.794 0 50 BFAA N[C@@H](c1ccc(Cl)cc1)C(F)(F)F 19433020 ZGFGADXCVWZZHD-ZETCQYMHSA-N 209.598 2.902 0 50 BFAA in-vitro CCCc1c(O)ccc(C(=O)C(F)(F)F)c1O 34310112 FNUWZRSFCFUFFU-UHFFFAOYSA-N 248.200 2.795 0 50 BFAA CCOC(=O)c1ccc(Br)cc1F 35199105 MVDINIAYLXTBKB-UHFFFAOYSA-N 247.063 2.765 0 50 BFAA C[C@H](CNC(=O)C(C)(C)C)c1ccccc1 43700784 RDAVLXLHEHATML-LLVKDONJSA-N 219.328 2.952 0 50 BFAA Nc1ccccc1[C@@H]1NCCc2ccccc21 71773235 WRDSJOCZQDJYRU-OAHLLOKOSA-N 224.307 2.504 0 50 BFAA CCCN(C)C(C)(C)C(=O)c1ccc(OC)cc1 96027080 ZZGUMTTXQNIMJS-UHFFFAOYSA-N 249.354 2.998 0 50 BFAA Cc1ccc(-c2cc(F)c(F)c(F)c2)nn1 97594852 YIYYREQRUBTGOJ-UHFFFAOYSA-N 224.185 2.869 0 50 BFAA COC(=O)c1cc(N)cc(-c2ccccc2)c1 97757370 LIOJPNRGRZJABU-UHFFFAOYSA-N 227.263 2.722 0 50 BFAA Cc1cc(C)c2c(c1)C(C)(C)CC(=O)N2 169725195 YXYGYFZXSBVWNM-UHFFFAOYSA-N 203.285 2.923 0 50 BFAA CC(C)(C)CCN[C@@H]1CCO[C@@H](C2CC2)C1 188506640 ZNGAHZONPSMLSS-CHWSQXEVSA-N 225.376 2.970 0 50 BFAA CC(=O)N1C(=S)SC[C@@H]1c1ccccc1 207736509 JMFXRMBPKFNSGR-SNVBAGLBSA-N 237.349 2.608 0 50 BFAA CN[C@@H]1CCCC[C@H]1[C@@H](O)c1ccc(OC)cc1 215992944 AIGURAKVPDMCSE-KFWWJZLASA-N 249.354 2.507 0 50 BFAA C[C@H](N)[C@@H]1C[C@H]1c1ccc(Br)cc1 249702748 ZDRRHNMZTLAZCG-SWPVVBRQSA-N 240.144 2.900 0 50 BFAA CC(F)(F)[C@H](C(=O)O)c1ccccc1 257813263 AWWDLBSVZSUFCN-QMMMGPOBSA-N 200.184 2.510 0 50 BFAA CCCC(C)(C)NC(=O)CCc1cscn1 299689170 LJIJWDYESAJVDD-UHFFFAOYSA-N 240.372 2.771 0 50 BFAA CCC(=O)N1CCC[C@H](CC(F)(F)F)C1 335489306 VATXIZPNUABMSD-MRVPVSSYSA-N 223.238 2.587 0 50 BFAA Cc1c(Br)cncc1-c1cc[nH]n1 725272660 JCXFKQKJUOVNNT-UHFFFAOYSA-N 238.088 2.543 0 50 BFAA C[C@H]1CN(C(=O)Nc2ccc(Cl)nc2)[C@@H]1C 821541688 HQAAJGVCAZYDIF-JGVFFNPUSA-N 239.706 2.607 0 50 BFAA Cc1cc(-c2nncc(C)c2C)c(F)cc1O 2356138393 LKFGUSGMQHTRQT-UHFFFAOYSA-N 232.258 2.914 0 50 BFAA O=C(O)c1cccc2c1C(=O)c1ccccc1-2 134818 CBEFMGJHEKAMNI-UHFFFAOYSA-N 224.215 2.596 0 50 BFAA Nc1nnc(CSCc2ccccc2)s1 183408 JCGQNFWTTJESBB-UHFFFAOYSA-N 237.353 2.554 0 50 BFAA O[C@@H]1CCN(Cc2ccc(Cl)c(Cl)c2)C1 215417 NAPPFWAXGCBELF-SECBINFHSA-N 246.137 2.560 0 50 BFAA CCOC(=O)c1c(N)sc2c1C[C@H](C)CC2 267466 USOZAPSHCJNFRA-SSDOTTSWSA-N 239.340 2.632 0 50 BFAA COc1ccc(OC)c(CNC2CCCC2)c1 294244 PPACRXFSJKTUSD-UHFFFAOYSA-N 235.327 2.736 0 50 BFAA in-vitro CC[C@@H](C)NC(=S)Nc1ccc(OC)cc1 306581 QZEVNTPWJMVOPG-SECBINFHSA-N 238.356 2.780 0 50 BFAA C[C@@H]1S[C@@H](c2ccccc2Cl)NC1=O 444572 BYOSTEFUXFDWRR-WKEGUHRASA-N 227.716 2.590 0 50 BFAA COC(=O)c1ccc(NC(=O)C2CCCC2)cc1 476615 QNVSMYADANMURK-UHFFFAOYSA-N 247.294 2.602 0 50 BFAA C[C@@H](N)Cc1ccc(Cl)c(Cl)c1 2035977 PUFDZMUCDFIRQY-ZCFIWIBFSA-N 204.100 2.883 0 50 BFAA O=Cc1[nH]cc(C(F)(F)F)c1C(F)(F)F 2519460 MZUMTQKUAXXJFA-UHFFFAOYSA-N 231.095 2.865 0 50 BFAA CCCCS(=O)(=O)Nc1cccc(CC)c1 6706559 PXKBYZHKRCHSIZ-UHFFFAOYSA-N 241.356 2.791 0 50 BFAA Cc1cccc(-c2nc(CN)cs2)c1 6789277 DBRGOSWTMATQKR-UHFFFAOYSA-N 204.298 2.577 0 50 BFAA in-vitro Cc1n[nH]c2c1C(=O)C[C@@H](c1ccc(F)cc1)C2 8914959 OQEWXPSTMAAWSP-JTQLQIEISA-N 244.269 2.770 0 50 BFAA Cc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1 16647653 LYSYBTOKVNYKME-UHFFFAOYSA-N 240.306 2.624 0 50 BFAA Nc1cccc(C(=O)Nc2ccc(F)cc2F)c1 20193251 NJPZYJVAAMOWEV-UHFFFAOYSA-N 248.232 2.799 0 50 BFAA Nc1cnc(-c2cc3ccccc3s2)cn1 32516069 LAWQUFOHUSDNLW-UHFFFAOYSA-N 227.292 2.941 0 50 BFAA CSCc1nnc(Cc2ccccc2C)o1 157874285 JPKLEAHYWRBWGG-UHFFFAOYSA-N 234.324 2.832 0 50 BFAA CCC(=O)Nc1ccc(CN(CC)CC)cc1 188362423 MGZVKXBRFSWYBU-UHFFFAOYSA-N 234.343 2.877 0 50 BFAA CCO[C@H](C(=O)OC(C)C)c1ccccc1 194867154 RETKFSAQRXGKOQ-LBPRGKRZSA-N 222.284 2.716 0 50 BFAA O=C1CC[C@H](c2ccc(C(F)(F)F)cc2)CN1 211138797 LGEVYJYGEQLUMF-VIFPVBQESA-N 243.228 2.699 0 50 BFAA CCn1cncc1CN(C)Cc1ccc(C)s1 244626508 FNBCBINFSVGJAO-UHFFFAOYSA-N 249.383 2.905 0 50 BFAA COc1ccc(N[C@H]2COC[C@@H]2C)cc1Cl 687996767 KRPUYNMAUAYVBK-KWQFWETISA-N 241.718 2.795 0 50 BFAA O[C@@H]1CCCN(C[C@H]2CCC=CCCC2)CC1 952991576 ARZVSIBCPTZFAK-LSDHHAIUSA-N 237.387 2.970 0 50 BFAA C(=C/c1ccnn1C1CCC1)\c1cccnn1 1875272234 LTGHLVNHSUFGGM-VOTSOKGWSA-N 226.283 2.569 0 50 BFAA c1cc(CNC[C@@H]2C[C@H]3CC[C@@H]32)c2cc[nH]c2n1 2325807351 SXSZEGVFHGTXBC-WXHSDQCUSA-N 241.338 2.699 0 50 BFAA O=C1O[C@@H](c2ccccc2)c2ccccc21 133390 SQFMIHCARVMICF-ZDUSSCGKSA-N 210.232 2.946 0 50 BFAA biogenic CC(C)N(C(=O)c1ccccc1C(=O)O)C(C)C 185924 PZSITMBIVNJHKF-UHFFFAOYSA-N 249.310 2.644 0 50 BFAA COc1ccc(-c2nc3n(c2C)CCC3)cc1 245532 IMCMGOVWBGZPAE-UHFFFAOYSA-N 228.295 2.813 0 50 BFAA CCC[n+]1cccc2cc(OC)ccc21 276943 GBGIIBXKVBZVJE-UHFFFAOYSA-N 202.277 2.546 0 50 BFAA O=C(c1ccccc1)N1CCCCCC1 500061 KZLCCMBSJDXNDG-UHFFFAOYSA-N 203.285 2.703 0 50 BFAA Cc1nc2nc(-c3ccco3)nn2c(C)c1Cl 528517 DKWSXTXLQJALAS-UHFFFAOYSA-N 248.673 2.655 0 50 BFAA Cc1cc(C)cc(OCCCC(=O)O)c1 1871157 IOZUQIUNWVMZDN-UHFFFAOYSA-N 208.257 2.547 0 50 BFAA Cc1ccc(OCCCn2ccnc2)c(C)c1 2494147 FYMFFPDYKWHVSK-UHFFFAOYSA-N 230.311 2.969 0 50 BFAA O=C1CS[C@H](c2ccc(Cl)cc2Cl)N1 5047004 ZSUYQQXHXRVFQC-SECBINFHSA-N 248.134 2.855 0 50 BFAA CCOCCCNC(=O)C[C@H](C)c1ccccc1 5592888 UGODKSAYLQRABA-ZDUSSCGKSA-N 249.354 2.723 0 50 BFAA COc1ccc(Nc2nnc(C)s2)cc1 6703714 PAWMUTKAIHCZQL-UHFFFAOYSA-N 221.285 2.599 0 50 BFAA CCc1c(C)[nH]c2c(C)cccc2c1=O 8581335 BLJLWUBLPRLWGU-UHFFFAOYSA-N 201.269 2.707 0 50 BFAA biogenic Cc1ccc([C@H](N)c2cccnc2)cc1C 11737294 DINRZSVVJYLCDX-AWEZNQCLSA-N 212.296 2.747 0 50 BFAA in-vitro Cc1csc(-c2ccccc2CN)n1 11886273 AEUNKJXBIAYKHZ-UHFFFAOYSA-N 204.298 2.577 0 50 BFAA c1ccc2c(c1)C[C@@H](NCC1CCCC1)CO2 12299391 JVVPYSKDDLKZIH-CQSZACIVSA-N 231.339 2.770 0 50 BFAA NC(=S)Cc1cccc(C(F)(F)F)c1 12336328 OPIOQYUGUBOMCP-UHFFFAOYSA-N 219.231 2.534 0 50 BFAA in-vitro Cc1cc(CN(C)Cc2c(C)n[nH]c2C)c(C)o1 19144608 XAQBWPXHDLEGHZ-UHFFFAOYSA-N 247.342 2.868 0 50 BFAA CC[C@@H](C)N1CCN(Cc2ccccc2)CC1 19788206 COWCJOKMBMREBA-CQSZACIVSA-N 232.371 2.603 0 50 BFAA C[C@@H]1CN([C@@H]2CCc3ccccc3C2)C[C@@H](C)O1 23283509 UEVJCXSVUOEYMD-XJKCOSOUSA-N 245.366 2.653 0 50 BFAA Cc1cnc(Br)cc1Cl 35569820 FHYOIILXEIWGCX-UHFFFAOYSA-N 206.470 2.806 0 50 BFAA CC(=O)NCCOc1cc(Cl)ccc1Cl 40544892 JMBSRFBRHIWYDV-UHFFFAOYSA-N 248.109 2.508 0 50 BFAA CCN1C[C@H](COc2ccc(C)cc2C)OC1=O 71773767 UZHHZOLBWNDGLF-GFCCVEGCSA-N 249.310 2.523 0 50 BFAA O=NN1C[C@]23C=CCC[C@@]2(CCCC3)C1 100971855 ZXBDLRFZRVQEPX-VXGBXAGGSA-N 206.289 2.880 0 50 BFAA Cc1cnc(NC(=O)C[C@H]2CCC[C@H](C)C2)[nH]1 131152281 FWBHCUGGVHXGTP-ONGXEEELSA-N 235.331 2.873 0 50 BFAA C[C@@H]1CC[C@@H](NCCC2(C)OCCO2)C[C@H]1C 241564242 OSPWUGLXNLFSQX-JHJVBQTASA-N 241.375 2.554 0 50 BFAA CC(C)C(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 242914652 GVFIIUBNCJRDSI-FIQHERPVSA-N 209.333 2.583 0 50 BFAA C[C@H](NC(=O)C1CCC1)[C@@H]1C[C@H]2CC[C@H]1C2 243148921 JNHOBKBZGZEFPQ-UKJIMTQDSA-N 221.344 2.727 0 50 BFAA CS[C@@H]1CCCC[C@H]1N[C@@H]1C[C@H]2CC[C@H]1O2 309862397 NCXKYDUSDPHSGW-SYLRKERUSA-N 241.400 2.570 0 50 BFAA O=C(O)c1c(-c2ccc[nH]2)noc1C1CCC1 675057736 MPLNZSSLBLNJJG-UHFFFAOYSA-N 232.239 2.635 0 50 BFAA CCCc1c(Cl)nc2ccc(C)cn2c1=O 725245925 ZLTAZMLKPSSZJO-UHFFFAOYSA-N 236.702 2.609 0 50 BFAA CCCc1cnc(C)nc1NC[C@@H]1CCCOC1 1529105411 ATDZWBZPGJRJBM-LBPRGKRZSA-N 249.358 2.576 0 50 BFAA C=CC(=O)N[C@H](CC)Cc1ccc(C)cc1 1875366539 UEAZMPBPNTYPSI-CYBMUJFWSA-N 217.312 2.618 0 50 BFAA CC(C)(C)c1cc(-c2ccc(CCN)cc2)[nH]n1 2356139677 VYPNNULRGJSINM-UHFFFAOYSA-N 243.354 2.875 0 50 BFAA CCc1nnc(NC(=O)C2CCCCC2)s1 40347 WOEITAFJDXDSTM-UHFFFAOYSA-N 239.344 2.619 0 50 BFAA COC(=O)c1sc2cccc(Cl)c2c1N 164187 POFRZYJVEIUDHS-UHFFFAOYSA-N 241.699 2.924 0 50 BFAA in-vitro Cc1ccc(CNC(=O)C2CCCC2)cc1 375752 ABOHAZFZTUGION-UHFFFAOYSA-N 217.312 2.801 0 50 BFAA CCOC(=O)[C@@](C)(CC)c1ccccc1 393303 XSCGESRBIGOGKZ-ZDUSSCGKSA-N 206.285 2.917 0 50 BFAA CCC(=O)Nc1ccc(Br)cc1 397763 OKCYFRFBRDYTRP-UHFFFAOYSA-N 228.089 2.798 0 50 BFAA O=C(NCc1ccccn1)Nc1ccc(F)cc1 453085 YZBQUCHTVDNQRH-UHFFFAOYSA-N 245.257 2.542 0 50 BFAA Cc1ccc(C)c(C(=O)NC2CCCC2)c1 514739 XOICNFRSLRNZGV-UHFFFAOYSA-N 217.312 2.976 0 50 BFAA Fc1ccc(NC(=S)NC2CC2)cc1Cl 613459 HRYUAUFBAHRMJK-UHFFFAOYSA-N 244.722 2.928 0 50 BFAA Brc1cnc(Br)s1 1756180 XIBIQFJKUZZLLX-UHFFFAOYSA-N 242.923 2.668 0 50 BFAA in-vitro CC(=O)n1nc(C(F)(F)F)c(Cl)c1C 2526336 NERAROFZQWLXHC-UHFFFAOYSA-N 226.585 2.524 0 50 BFAA CSc1nnc2c3cc(C)ccc3n(C)c2n1 2870766 RBGCMYDNKMHFJA-UHFFFAOYSA-N 244.323 2.547 0 50 BFAA CC(C)(C)NC(=O)c1cccc(Cl)c1 3093851 NASSRHLMVPZMFV-UHFFFAOYSA-N 211.692 2.868 0 50 BFAA C[C@H]1CCCc2c1nc1ccccc1c2C(N)=O 6253541 AGETZEYQPDFLQR-VIFPVBQESA-N 240.306 2.774 0 50 BFAA Fc1ccc(OC[C@@H]2CCCN2)cc1Cl 12137825 GXDDERQGCARERK-QMMMGPOBSA-N 229.682 2.610 0 50 BFAA COCc1nc2cc(Br)ccc2o1 19088898 LMBMCMJRMKBCEZ-UHFFFAOYSA-N 242.072 2.737 0 50 BFAA C[C@H]1CN(CCCOc2ccccc2)C[C@H](C)O1 20166840 RLDOIAYHNMTTBF-KBPBESRZSA-N 249.354 2.565 0 50 BFAA OC[C@@H]1CCCCN1C1CCCCCC1 23282992 IVQAYCMXIISQCF-ZDUSSCGKSA-N 211.349 2.556 0 50 BFAA CC(C)CCNC(=O)Cc1ccc(F)cc1 47650745 QNNLVUYFWGVJKT-UHFFFAOYSA-N 223.291 2.531 0 50 BFAA Cc1ccc(F)cc1-c1ccc(N)nc1 52886378 GCMNFEOKZOKLES-UHFFFAOYSA-N 202.232 2.778 0 50 BFAA CN(C)C(=O)c1cccc(-c2ccccc2O)c1 65340087 WCASFNPWKFUQAP-UHFFFAOYSA-N 241.290 2.761 0 50 BFAA in-vitro CN(C)c1cc(Br)ccc1F 95915581 JTBIRMMMLPXWRI-UHFFFAOYSA-N 218.069 2.654 0 50 BFAA O=Cc1ccc(Br)c(Cl)c1O 199190423 LOTVJXPEUIMWLX-UHFFFAOYSA-N 235.464 2.621 0 50 BFAA CCOC[C@@H]1CCCN1Cc1ccc(CC)cn1 215959795 FHOZDGRQZWTQPW-HNNXBMFYSA-N 248.370 2.645 0 50 BFAA C[C@H](c1ccccc1Cl)N1CCC[C@@H](O)C1 249522800 OUTRRWUULVKNCQ-GHMZBOCLSA-N 239.746 2.858 0 50 BFAA CO[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccc(C)o1 670462606 DQXSCMNRAODHKO-IMRBUKKESA-N 235.327 2.730 0 50 BFAA CC(C)Cc1c(Cl)nc2ccccn2c1=O 725244170 FBUXNMYCWTUVOK-UHFFFAOYSA-N 236.702 2.546 0 50 BFAA Cc1ocnc1CNCc1scnc1C1CC1 1875284977 XOYNZYHZLMXJIO-UHFFFAOYSA-N 249.339 2.607 0 50 BFAA CCC1CC(N[C@H]2CCc3c(cnn3CC)C2)C1 2325788573 PFYPFGDWXLZOMQ-QRMWWUJWSA-N 247.386 2.539 0 50 BFAA COc1ccc(CNC(=O)c2cccs2)cc1 29353 IQZQDGIWGKOBJY-UHFFFAOYSA-N 247.319 2.687 0 50 BFAA O=C(Oc1ccccc1)N1CCCCC1 135184 GGZDLAOKPXEJCP-UHFFFAOYSA-N 205.257 2.671 0 50 BFAA O[C@@H]1CCCN(Cc2cccc3ccccc23)C1 237616 YEZFYEJRKPRXID-OAHLLOKOSA-N 241.334 2.797 0 50 BFAA Cc1nc(-c2ccccc2)c2c(O)ccnc2n1 267401 XSKDQGUNOPNRIJ-UHFFFAOYSA-N 237.262 2.706 0 50 BFAA CC[C@H](Oc1ccccc1)c1nnc(N)s1 533307 HVKZMILXXWWZLZ-VIFPVBQESA-N 235.312 2.650 0 50 BFAA CCOC(=O)C1(Br)CCCCC1 1563623 DAJRAUFUJGNWDE-UHFFFAOYSA-N 235.121 2.647 0 50 BFAA Cc1ccc(-n2c(C)csc2=N)cc1 5334133 RVLAGHGPJIPZKL-UHFFFAOYSA-N 204.298 2.635 0 50 BFAA CCCCOc1ccc(OCCNCC)cc1 6702217 KSFIPEVZBWVMFS-UHFFFAOYSA-N 237.343 2.854 0 50 BFAA CC(C)(C)OC(=O)N1CCc2ccc(N)cc21 14000351 NWVDKZOUGBMLIH-UHFFFAOYSA-N 234.299 2.566 0 50 BFAA in-vitro CC(C)N(C(=O)c1cc(Cl)ccn1)C(C)C 14400956 VMNWYVODDVOFPF-UHFFFAOYSA-N 240.734 2.994 0 50 BFAA COC(OC)c1ccc(Br)cc1F 16158738 LUBJMTAUCIBGNJ-UHFFFAOYSA-N 249.079 2.880 0 50 BFAA CCCCc1nc(-c2ccc(O)cc2)no1 26514568 OUNWDZINNLJSJW-UHFFFAOYSA-N 218.256 2.785 0 50 BFAA Clc1nsnc1N1CCCCCC1 32919545 NCWGMSUYBQOJMV-UHFFFAOYSA-N 217.725 2.572 0 50 BFAA in-vitro CC(C)(C)c1cccc(C2(N)CCOCC2)c1 71788801 UVLFLNTYLDTXNQ-UHFFFAOYSA-N 233.355 2.949 0 50 BFAA CCCn1nc(Cc2ccc(OC)cc2)nc1C 92045688 OJZDLWHBSXJBFR-UHFFFAOYSA-N 245.326 2.596 0 50 BFAA COC[C@H](N[C@@H](C)c1ncc(C)s1)C(C)C 125269467 LYUGXSMQECLTEF-QWRGUYRKSA-N 242.388 2.773 0 50 BFAA Cc1ccc(CNCc2cc(C(=O)O)co2)cc1 228155255 XVQJGNYDZFHLPY-UHFFFAOYSA-N 245.278 2.576 0 50 BFAA CC(=O)N[C@@H](C)c1ccc(-c2c[nH]nc2C)cc1 534587369 MKUKPFYAHGMRLF-VIFPVBQESA-N 243.310 2.582 0 50 BFAA N[C@H](c1ccns1)C1(O)CCCCCCC1 958528611 WNNYIQGDRZFJHV-LLVKDONJSA-N 240.372 2.618 0 50 BFAA C[C@]12C[C@@H]1CN(c1noc(-c3ccccc3)n1)C2 1800414159 LUNKRKODDCRJAV-BXUZGUMPSA-N 241.294 2.583 0 50 BFAA Cc1cc(C(=O)N2CC[C@H]2c2ccccc2)c[nH]1 1875289021 PQFCVVRJZUIPNL-AWEZNQCLSA-N 240.306 2.910 0 50 BFAA COc1cccc(-c2c(C)nn3cccnc23)c1 2356157683 QYOBVLBINIMSBR-UHFFFAOYSA-N 239.278 2.713 0 50 BFAA O=C(Nc1ccccc1)Nc1ccccn1 95158 FDMIXRXCYIIUDY-UHFFFAOYSA-N 213.240 2.726 0 50 BFAA O=C1CS[C@H](c2cccc(Cl)c2Cl)N1 291423 BLCWANIQKOBJEM-SECBINFHSA-N 248.134 2.855 0 50 BFAA O=C(CC1CCCCC1)NCc1cccnc1 316734 DZKHTYNQWRQIJW-UHFFFAOYSA-N 232.327 2.668 0 50 BFAA CC1(C)C=Cc2cc3ccc(=O)oc3cc2O1 338304 QOTBQNVNUBKJMS-UHFFFAOYSA-N 228.247 2.977 0 50 BFAA biogenic,in-vitro COc1ccc(O)c(Cc2ccccc2)c1 405139 ZCVHLCUGDIPDLI-UHFFFAOYSA-N 214.264 2.992 0 50 BFAA O=C(Oc1cccc2cccnc12)N1CCCC1 609958 NSXZLPKBJNPFFH-UHFFFAOYSA-N 242.278 2.829 0 50 BFAA c1ccc2[nH]c(CN3CCCCCC3)nc2c1 612220 QNKCDXXHAYMTFG-UHFFFAOYSA-N 229.327 2.939 0 50 BFAA CCCC[C@@H](CC(=O)O)NC(=O)OC(C)(C)C 2530032 KVAFMJHZXSBEFB-VIFPVBQESA-N 245.319 2.545 0 50 BFAA CCCNC(=O)c1cc(-c2ccc(F)cc2)on1 3907631 UHEXNBZGNWSGRM-UHFFFAOYSA-N 248.257 2.621 0 50 BFAA c1coc(-c2nc3n(n2)Cc2ccccc2-3)c1 6760643 CZJBZEMXENMQKJ-UHFFFAOYSA-N 223.235 2.567 0 50 BFAA CC(C)(C)CN[C@H]1COc2ccccc2C1 12473886 UKZRFMWGJCECIK-GFCCVEGCSA-N 219.328 2.626 0 50 BFAA COc1ccc([C@@H](C)O)cc1Br 12506486 KQHQGTDOJDHQGX-ZCFIWIBFSA-N 231.089 2.511 0 50 BFAA in-vitro CC(C)CNC(=S)N1CCc2ccccc21 13838861 UYTJNLDZMMTQAU-UHFFFAOYSA-N 234.368 2.580 0 50 BFAA NC(=O)c1sc2cccc(F)c2c1Cl 16602847 SWUWQFFRYZKOSK-UHFFFAOYSA-N 229.663 2.793 0 50 BFAA CCNC(=O)Cc1ccc(Cl)c(Cl)c1 16605303 JBWUSCIWOOILIF-UHFFFAOYSA-N 232.110 2.672 0 50 BFAA CCN1CCC[C@@H]1CNCc1ccc(C)cc1 22935932 YDJFELFKNBKIFL-OAHLLOKOSA-N 232.371 2.569 0 50 BFAA Nc1ccnc2c(OC(F)(F)F)cccc12 36075561 TXQDWAKYWHIPPR-UHFFFAOYSA-N 228.173 2.716 0 50 BFAA in-vitro O=C1CCc2cc(F)c(Br)cc21 97757554 UJFQGEGLVMENFO-UHFFFAOYSA-N 229.048 2.717 0 50 BFAA in-vitro COC(=O)c1cc2c(C=O)cccc2s1 142236944 ZWGANGDSIFFZQN-UHFFFAOYSA-N 220.249 2.500 0 50 BFAA CCC(CC)Sc1nnc(NC(C)=O)s1 170594946 IGBKBIKVKHTQOI-UHFFFAOYSA-N 245.373 2.777 0 50 BFAA COc1ccc(CN2CC[C@H](C)C2)cc1 201323369 NRUIMWWWDACTQL-NSHDSACASA-N 205.301 2.537 0 50 BFAA O=C1CCOc2cc(OC(F)(F)F)ccc21 208347926 ROVOVSJXNSHPBD-UHFFFAOYSA-N 232.157 2.550 0 50 BFAA COc1ccc(CN2CC[C@@H](C)C2)cc1 212402430 NRUIMWWWDACTQL-LLVKDONJSA-N 205.301 2.537 0 50 BFAA CC(C)(C)OC(=O)N1CCCC[C@@H]2C[C@H]21 669378646 LBMYDKALZQLSEU-NXEZZACHSA-N 211.305 2.796 0 50 BFAA C[C@H](n1ccnc1C1CCCC1)C1(O)CC1 1875249606 ILINXPLOTSRDAK-JTQLQIEISA-N 220.316 2.627 0 50 BFAA Cc1cccc(NC(=O)Nc2cccc(C)n2)n1 54166 YVORCDPOPJSRJC-UHFFFAOYSA-N 242.282 2.737 0 50 BFAA COc1ccccc1CNC(=O)c1cccs1 209617 HVRMFTXLJODAPK-UHFFFAOYSA-N 247.319 2.687 0 50 BFAA O=C(Nc1cccc(Cl)c1)N1CCCC1 240584 OGFAKZKTOPZPFP-UHFFFAOYSA-N 224.691 2.968 0 50 BFAA COc1ccc(Oc2ncc(C=O)s2)cc1 1402617 LRDAZQVPTYVAAK-UHFFFAOYSA-N 235.264 2.757 0 50 BFAA O=C(O)COc1ccc2oc3c(c2c1)CCCC3 3887803 LVWKRTDDUIYWBR-UHFFFAOYSA-N 246.262 2.775 0 50 BFAA CCNC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 4841753 XOCZVPBOIPGMHD-VIFPVBQESA-N 241.718 2.552 0 50 BFAA CCOC(=O)N1CCCc2ccccc21 5717109 YQBRPZBLROENTD-UHFFFAOYSA-N 205.257 2.596 0 50 BFAA CCC(=O)Nc1ccc(NC(=O)C(C)C)cc1 9230411 KLAZZRCJDGRKCD-UHFFFAOYSA-N 234.299 2.630 0 50 BFAA CC(=O)Nc1cc(-c2ccccc2Cl)n[nH]1 12379582 BUJKLCLBDOXJSA-UHFFFAOYSA-N 235.674 2.689 0 50 BFAA CCC1CCC(NC2CCC(O)CC2)CC1 19918514 UDJREOLDPGEGEA-UHFFFAOYSA-N 225.376 2.848 0 50 BFAA CC(C)c1nc(-c2cccc(C(=O)O)c2)no1 34546652 LWUZJUHOIOFIQR-UHFFFAOYSA-N 232.239 2.558 0 50 BFAA Cc1ccc(OC[C@@H](C)NC(=O)C(C)(C)C)cc1 60138747 GBBYDEVYWAQMFL-GFCCVEGCSA-N 249.354 2.925 0 50 BFAA Cc1ccc2cc(C(F)(F)F)cnc2n1 66054306 ATPHVXQFNQZKBB-UHFFFAOYSA-N 212.174 2.957 0 50 BFAA in-vitro Oc1ccc(-c2cccc3c2CCNC3)cc1 71765622 GPHLWUACNFLGBK-UHFFFAOYSA-N 225.291 2.705 0 50 BFAA Cn1nc(Br)cc1-c1ccccc1 217010250 PMOUWJCVQRITNN-UHFFFAOYSA-N 237.100 2.850 0 50 BFAA CCOC(=O)c1nc(Cl)cc(C(C)(C)C)n1 238855416 RQARJUGEHPZUIG-UHFFFAOYSA-N 242.706 2.604 0 50 BFAA CCN(C(=O)C1CC=CC1)c1cccnc1C 253432076 IULMHRPABBAVLG-UHFFFAOYSA-N 230.311 2.709 0 50 BFAA CCCc1cnc(C)nc1-c1ccc(OC)nc1 426661193 HHVUSJWZRNYCNX-UHFFFAOYSA-N 243.310 2.808 0 50 BFAA COC(=O)c1c(F)ccc(C(F)(F)F)c1F 575713861 HYHCXQPUGBOOMZ-UHFFFAOYSA-N 240.127 2.770 0 50 BFAA COc1cccc2c(=O)n(C3CCCC3)cnc12 584902164 DBKLEFPCZCRBPV-UHFFFAOYSA-N 244.294 2.520 0 50 BFAA CCC(F)(F)C(C)(C)CNCCn1ccnc1 691030083 MZYIOOUZVKAUEO-UHFFFAOYSA-N 245.317 2.544 0 50 BFAA Cc1cc(-c2ccnc(C(F)F)c2)cc(N)n1 725273600 NYJLNXQRXMBQKY-UHFFFAOYSA-N 235.237 2.972 0 50 BFAA C=CC(=O)Nc1nn(C2CCCCC2)cc1C 1875366642 GIKBGENSDCZBNC-UHFFFAOYSA-N 233.315 2.821 0 50 BFAA C[C@@H]1CC[C@@H]2CN=C(NCC3(C)CCCC3)N2C1 2325864147 HSXAKAOMGQWANO-CHWSQXEVSA-N 249.402 2.626 0 50 BFAA O=C(O)c1cc(F)cc(C(F)(F)F)c1 156123 NSGKIIGVPBTOBF-UHFFFAOYSA-N 208.110 2.543 0 50 BFAA O=c1ccc2c(Cl)cc(Cl)c(O)c2[nH]1 231932 GTJHOLJWDBBRHN-UHFFFAOYSA-N 230.050 2.541 0 50 BFAA COc1ccccc1-c1ccc(C(=O)O)o1 265874 CHWVDGYLKPLBES-UHFFFAOYSA-N 218.208 2.653 0 50 BFAA in-vivo CCOc1ccc(/C=C/C(=O)O)c(OCC)c1 446861 OCSURSYLLPHFLE-SOFGYWHQSA-N 236.267 2.582 0 50 BFAA Cc1ccc2nc3sc(=O)sc3nc2c1 1590887 FBQQHUGEACOBDN-UHFFFAOYSA-N 234.305 2.575 0 50 BFAA biogenic,in-vitro c1ccc2sc([C@@H]3CCCN3)nc2c1 2649891 YTKAWFHOEDFUOP-VIFPVBQESA-N 204.298 2.721 0 50 BFAA in-vitro Cc1ccc(/C=C/C(=O)O)c(Br)c1 3399301 RAVBNEMTZQOKCD-SNAWJCMRSA-N 241.084 2.855 0 50 BFAA in-vitro NCCc1nc(-c2ccc(Cl)cc2)cs1 4226976 BWKAGQFZLFDPOW-UHFFFAOYSA-N 238.743 2.965 0 50 BFAA OC[C@@H]1CCCCN1C/C=C/c1ccccc1 4989118 PPKHVWPJPUOATP-PPYMECGQSA-N 231.339 2.547 0 50 BFAA Cc1cc(C)nc(NC(=O)Cc2ccccc2)c1 5935306 KIHFXWBKWYNVPC-UHFFFAOYSA-N 240.306 2.880 0 50 BFAA Brc1ccc2c(c1)NCCC2 8699733 DRVWZEWZXCZNAR-UHFFFAOYSA-N 212.090 2.807 0 50 BFAA in-vitro O=C1CCOc2cc(C(F)(F)F)ccc21 16158994 BDGGJAUEQDZWRC-UHFFFAOYSA-N 216.158 2.671 0 50 BFAA COc1cc(C=O)cc(C(F)(F)F)c1 16159854 GAHAVZIKRCECQH-UHFFFAOYSA-N 204.147 2.527 0 50 BFAA COc1ccc(N)cc1NC(=O)OC(C)(C)C 19415722 AVVCSVAHHQOYFE-UHFFFAOYSA-N 238.287 2.624 0 50 BFAA C[C@@H]1C(=O)C[C@H](c2ccco2)N[C@@H]1c1ccco1 19537242 ODBXCYFSKSAVDY-RULNRJAQSA-N 245.278 2.854 0 50 BFAA CCCNC(=O)[C@H](C)Oc1cccc(C)c1C 20489243 MOWQGYZFZCDXDT-LBPRGKRZSA-N 235.327 2.597 0 50 BFAA CCOc1cc(Br)cc(C(=O)O)c1 65337306 DMIGIIGQWXKUKM-UHFFFAOYSA-N 245.072 2.546 0 50 BFAA in-vitro COc1ccccc1CN[C@H]1CS[C@@H](C)C1 86934091 XNTMAEXMJSFMRU-CMPLNLGQSA-N 237.368 2.679 0 50 BFAA COC(=O)c1cccc(-c2ccc(F)cc2F)n1 97756693 RSCIHSQFTBJZJM-UHFFFAOYSA-N 249.216 2.813 0 50 BFAA CC(C)(C)OC(=O)c1ccc(C=O)s1 115438148 AXGWEMGJOUIUMX-UHFFFAOYSA-N 212.270 2.516 0 50 BFAA Cc1ccccc1CN[C@@H](C)C1CCOCC1 134482128 PLLUSUZSEVETBH-ZDUSSCGKSA-N 233.355 2.900 0 50 BFAA Cc1cccc(C)c1NCc1nncs1 147576494 JGNOEMGICLCVJS-UHFFFAOYSA-N 219.313 2.767 0 50 BFAA O[C@H]1CC2(CCC2)Oc2ccc(F)cc21 160725679 XRGAWTNNXFFOEX-JTQLQIEISA-N 208.232 2.564 0 50 BFAA Cc1nc(NCc2ccc(CC(C)C)cc2)n[nH]1 170607142 VXNHCUVZILIZFV-UHFFFAOYSA-N 244.342 2.924 0 50 BFAA O=C(N[C@@H]1C=CCCC1)[C@H]1CCC(F)(F)C1 336082633 WUEBKKQLBAHNSN-VHSXEESVSA-N 229.270 2.647 0 50 BFAA O=C([C@H]1C[C@H]1C1CC1)N1CC2(CCCCC2)C1 336387527 KVJXCMCRYJPCCR-STQMWFEESA-N 233.355 2.825 0 50 BFAA CCC(CC)NCc1cc(OC)cc(OC)c1 228235 GKWRNTNDLIOYEQ-UHFFFAOYSA-N 237.343 2.982 0 50 BFAA COc1ccc(-c2ccnc(=S)[nH]2)cc1 238385 KSXDNCUHISGCTF-UHFFFAOYSA-N 218.281 2.815 0 50 BFAA in-vitro Cc1ccc(COC(=O)c2cccnc2)cc1 394249 FJVNGRMIYSCHDN-UHFFFAOYSA-N 227.263 2.747 0 50 BFAA Cc1ccc(CNC(=O)OC(C)C)c(C)c1 406306 IITIYBMQFKXUPO-UHFFFAOYSA-N 221.300 2.938 0 50 BFAA COC(=O)CCCc1c[nH]c2ccccc12 410211 ZEJUFCOACOWDPP-UHFFFAOYSA-N 217.268 2.664 0 50 BFAA biogenic,in-vitro O=C(Cc1cccs1)NCc1cccs1 1053529 GLEROCTZCHWTIS-UHFFFAOYSA-N 237.349 2.669 0 50 BFAA CCOC(=O)c1cc(C)oc1C(F)(F)F 2564952 BXGRWYGEMRIAHC-UHFFFAOYSA-N 222.162 2.784 0 50 BFAA Cc1ccc(C(=O)NC2CCCC2)s1 3256587 GRWRRLRLWZLVII-UHFFFAOYSA-N 209.314 2.729 0 50 BFAA CNc1nc(Nc2ccc(F)cc2)ncc1F 4502610 FFQXFDWNTBGAHY-UHFFFAOYSA-N 236.225 2.540 0 50 BFAA CC[C@H](Oc1ccccc1Cl)C(=O)O 4519974 COHQCOPPYROAKU-QMMMGPOBSA-N 214.648 2.582 0 50 BFAA CCc1cc2c(N(C)C)nc(C)nc2s1 5017337 QVPHHHRDQSSNDU-UHFFFAOYSA-N 221.329 2.628 0 50 BFAA O=C(O)c1cccn1-c1ccccc1Cl 12404844 OTBQOZUNNISRGK-UHFFFAOYSA-N 221.643 2.829 0 50 BFAA in-vitro O=C(Nc1ccc(F)cc1F)NC1CCC1 13331735 CUSHRAKZBJPDPJ-UHFFFAOYSA-N 226.226 2.639 0 50 BFAA Cc1ccc([C@@H]2NCC[C@]3(O)CCCC[C@@H]23)cc1 16041563 YQDZCQUVNRHELP-HRCADAONSA-N 245.366 2.951 0 50 BFAA biogenic CCCNCc1ccc(OC)c(Cl)c1 20927952 KOCKDBQXQJUVGF-UHFFFAOYSA-N 213.708 2.848 0 50 BFAA Cc1cc(N)ccc1OCC(F)(F)F 36950228 HPQBTNDTWKOCSA-UHFFFAOYSA-N 205.179 2.518 0 50 BFAA in-vitro CC(=O)c1ccc(Nc2nc(CN)cs2)cc1 61925613 YRGAOYPZCPEXAD-UHFFFAOYSA-N 247.323 2.548 0 50 BFAA O=C1Cc2ccc(OCc3ccccc3)cc2N1 71617793 MZWXDZCHYCAVBA-UHFFFAOYSA-N 239.274 2.760 0 50 BFAA N[C@H]1CCCC[C@@H]1OCc1cc(F)ccc1F 136332884 IRBCWIBVKKARMS-STQMWFEESA-N 241.281 2.751 0 50 BFAA CN(C/C=C/c1ccccc1)CCn1ccnc1 216397958 ILUYUBWYEIFDKA-VMPITWQZSA-N 241.338 2.528 0 50 BFAA c1ccc(N2CCC[C@@H]2c2cccnc2)nc1 334182180 FBOMVROUMMXESO-CYBMUJFWSA-N 225.295 2.818 0 50 BFAA O=Cc1ccc(Cl)c(OCC(F)F)c1 585662128 HMGHCAZYIWLNRY-UHFFFAOYSA-N 220.602 2.796 0 50 BFAA COc1cncc(-c2cccc(O)c2F)c1 725270717 QPMQOAGQPBRHMZ-UHFFFAOYSA-N 219.215 2.602 0 50 BFAA OCC1(n2ccnc2-c2ccccc2)CC=CC1 1875247909 UGCBKZXNAZYFLG-UHFFFAOYSA-N 240.306 2.588 0 50 BFAA CC(C)Cc1csc(N[C@@H]2COC[C@@H]2C)n1 1875280509 QNKLWQJZVINMIS-GXSJLCMTSA-N 240.372 2.788 0 50 BFAA CC(=O)NC(C)(C)COc1ccc(Cl)cc1 53667 FJKJPVFUGBBDAG-UHFFFAOYSA-N 241.718 2.634 0 50 BFAA O=C(/C=C/c1ccccc1)NCc1ccco1 146134 MKJOZHINIJXWJJ-CMDGGOBGSA-N 227.263 2.609 0 50 BFAA CC[C@@]1(C)C[C@H](c2csc(N)n2)CCO1 207040 AECHTYJNUUZQBK-KCJUWKMLSA-N 226.345 2.788 0 50 BFAA biogenic Nc1ccc(C(=O)Nc2ccccc2)cc1 225956 QHWDUJPWCGEBTH-UHFFFAOYSA-N 212.252 2.521 0 50 BFAA in-vitro COc1ccccc1N(C(C)=O)[C@H](C)C1CC1 392704 ADQXPDZRFGHZAK-SNVBAGLBSA-N 233.311 2.847 0 50 BFAA COCc1cc(Cl)nc2cc(N)c(C)cc12 1399600 NCAFKTFUSLPNJV-UHFFFAOYSA-N 236.702 2.925 0 50 BFAA C[C@@H]([C@H](O)C12CC3CC(CC(C3)C1)C2)N(C)C 3897327 GFPDBAUVWCFADK-WGLJQIFGSA-N 237.387 2.514 0 50 BFAA O[C@@H](CNc1ccccc1)COc1ccccc1 5162459 DSXTWXWHWLDHFS-AWEZNQCLSA-N 243.306 2.538 0 50 BFAA O=Cc1cccc(OC(=O)c2ccccc2F)c1 5867815 MJHRYLJXYVVMFN-UHFFFAOYSA-N 244.221 2.857 0 50 BFAA C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(N)=O 6065880 STCHCGPEWJVZAA-LLVKDONJSA-N 241.290 2.606 0 50 BFAA CC(=O)Nc1ccc(-c2ccc(C=O)o2)cc1 6692625 BRMINCSZLBBYGJ-UHFFFAOYSA-N 229.235 2.718 0 50 BFAA biogenic CCOC(=O)c1ccc(OC(F)(F)F)cc1 14443491 HSCMRGOOJDROHT-UHFFFAOYSA-N 234.173 2.762 0 50 BFAA CC(C)Oc1ccc2nc(N)sc2c1 20133674 WFGYJPDSKYTVNR-UHFFFAOYSA-N 208.286 2.666 0 50 BFAA CCOC(=O)Cc1ccc(SC)cc1 22116351 ZLQPAONBGBXGFN-UHFFFAOYSA-N 210.298 2.514 0 50 BFAA c1ccc(CNc2ccc3[nH]ncc3c2)nc1 23283272 CJURBDHIEJXZMJ-UHFFFAOYSA-N 224.267 2.570 0 50 BFAA CC1(O)c2ccccc2OCOc2ccccc21 23549969 KFYAJJZQOYFSEQ-UHFFFAOYSA-N 242.274 2.671 0 50 BFAA Nc1cccc(Cl)c1Br 36471562 JHHMLFBYFNAPDZ-UHFFFAOYSA-N 206.470 2.685 0 50 BFAA in-vitro O=C(O)CCc1ccc(F)c(C(F)(F)F)c1 38529615 ITZBWMABBUYCQB-UHFFFAOYSA-N 236.164 2.862 0 50 BFAA CCCC(=O)N[C@@H](C)c1ccc(C)cc1 40456239 GGHACBQAPBYVOH-NSHDSACASA-N 205.301 2.972 0 50 BFAA CC(=O)N1c2ccccc2SC1(C)C 196041965 UUHGLCMOUFDJNT-UHFFFAOYSA-N 207.298 2.881 0 50 BFAA O=C(NCCCc1ccccc1F)C1CC=CC1 279924529 GRCPWFRWAXDKEA-UHFFFAOYSA-N 247.313 2.841 0 50 BFAA CCC[C@]1(CC)NC(=O)N(c2ccccc2C)N1 334160944 PJWXIABJNBJYRU-CQSZACIVSA-N 247.342 2.936 0 50 BFAA Cc1cc(C(=O)N[C@H]2CC[C@@H](F)C2)c(C)o1 334515028 DANZOXLFZVOYRZ-ZJUUUORDSA-N 225.263 2.517 0 50 BFAA CC(=O)N[C@H]1CCCC[C@H]1CC(F)(F)F 334528656 RAVDDGOMXPUYDU-IUCAKERBSA-N 223.238 2.634 0 50 BFAA CCc1csc(NCc2n[nH]c(C)c2C)n1 716447082 NRRXINJWBWZESS-UHFFFAOYSA-N 236.344 2.658 0 50 BFAA CC[C@H](C)c1nnc2n1CC(C)(C)CC2 1616038933 OZUKEIVRLFPNIG-VIFPVBQESA-N 207.321 2.764 0 50 BFAA c1cc(Cn2nnnc2-c2ccsc2)cs1 2325823499 VHKLUOLQRXRSIT-UHFFFAOYSA-N 248.336 2.511 0 50 BFAA O=C(O)Cc1ccc(-c2ccccc2)cc1 2318 QRZAKQDHEVVFRX-UHFFFAOYSA-N 212.248 2.981 0 50 BFAA world CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)O 372500 PNWGQBBWAMFZBY-LLVKDONJSA-N 208.257 2.545 0 50 BFAA in-vitro CCNC(=O)Nc1cc(Cl)ccc1C 396221 YLMGICWPBUWRLP-UHFFFAOYSA-N 212.680 2.790 0 50 BFAA CN(C(=O)NC(C)(C)C)C1CCCCC1 401708 SYUMFGZKAWNORD-UHFFFAOYSA-N 212.337 2.759 0 50 BFAA O=C1O[C@H](Nc2ccccc2)c2ccccc21 434238 IURBFWKNFNSBQW-ZDUSSCGKSA-N 225.247 2.968 0 50 BFAA FC(F)(F)c1ccc(-c2nnco2)cc1 4091789 VIXOOTOYIUQAMC-UHFFFAOYSA-N 214.146 2.755 0 50 BFAA CC(C)Cc1nc2ccccc2n1[C@@H](C)C(=O)O 6721112 XXBJTNCYZOPXBL-JTQLQIEISA-N 246.310 2.880 0 50 BFAA C[C@H]1Cc2c(Br)cccc2C1=O 22863140 AHMJTIYXKJRVFF-LURJTMIESA-N 225.085 2.824 0 50 BFAA in-vitro COc1cccc(Br)c1C 40571717 SBMVNLFBEJAXFY-UHFFFAOYSA-N 201.063 2.766 0 50 BFAA in-vitro CCCc1n[nH]c(=O)n1[C@@H](CC)c1ccccc1 65410174 ZLNXUGFZDVSLEK-LBPRGKRZSA-N 245.326 2.523 0 50 BFAA COc1cc2ccnc3cc[nH]c(c1OC)c23 100152478 IVXSXOFPZFVZTM-UHFFFAOYSA-N 228.251 2.733 0 50 BFAA biogenic,in-vitro CCOC(=O)/C=C/c1c(F)cccc1F 121068866 COBPFZSQRMQTRT-VOTSOKGWSA-N 212.195 2.541 0 50 BFAA COC(=O)c1cc(Br)ccc1S 123882765 YOAZBMQAIIZWIT-UHFFFAOYSA-N 247.113 2.524 0 50 BFAA C[C@@H](C1CC1)n1nccc1NCC1=CCCOC1 126982625 AGYUXUBSPWREAU-NSHDSACASA-N 247.342 2.613 0 50 BFAA c1cc(CCSC2CCOCC2)ccn1 131584511 OWZGIPXJRGACKI-UHFFFAOYSA-N 223.341 2.536 0 50 BFAA O=C(Nc1ccc(O)cc1)Nc1ccncc1F 170604293 XCAXFNQPBZUGLS-UHFFFAOYSA-N 247.229 2.570 0 50 BFAA CC(C)(C)[C@@H]1OC(=O)[C@H]1c1ccccc1 196408282 YCJJQVJJQFIVGZ-WDEREUQCSA-N 204.269 2.742 0 50 BFAA CN(C)c1cccc2sc(C(=O)O)cc12 218508369 HMZFJSVULCAVRH-UHFFFAOYSA-N 221.281 2.666 0 50 BFAA CCc1ccc(CN(CCOC)CC2CC2)nc1 219050791 FQBKADMFXDLKHL-UHFFFAOYSA-N 248.370 2.502 0 50 BFAA CC(C)(C)[C@H]1CCC[C@@H]1NCc1cc[nH]n1 414536119 MPCYOKRSVIYQNK-RYUDHWBXSA-N 221.348 2.714 0 50 BFAA Clc1cnc(-c2cccc3c2OCC3)nc1 426503130 VUZCBXGQHUESCB-UHFFFAOYSA-N 232.670 2.732 0 50 BFAA Cc1cc(Cl)cc2c1OC[C@@H]([C@H](C)N)C2 675063743 NCOWYIMTFGWVDD-WPRPVWTQSA-N 225.719 2.547 0 50 BFAA C1=CC[C@@H](c2nccn2Cc2ccon2)CC1 1875251443 LNOSFODSHNYKAV-LLVKDONJSA-N 229.283 2.743 0 50 BFAA O=C(O)c1cccnc1Oc1ccccc1 150656 CQGAXJGXGLVFGJ-UHFFFAOYSA-N 215.208 2.572 0 50 BFAA in-vitro COc1ccc(NC(=O)CC2CCC2)c(OC)c1 446259 AWOILOOGTXWSMM-UHFFFAOYSA-N 249.310 2.833 0 50 BFAA CCN(CC)CCOC(=O)Nc1ccccc1 1586341 MWEVNHAXSNULII-UHFFFAOYSA-N 236.315 2.577 0 50 BFAA CCOP(=O)(CSCC)OCC 1725878 FTTKKJQNGIJGOC-UHFFFAOYSA-N 212.251 2.963 0 50 BFAA COc1cc(N)ccc1OCc1ccccc1 2018815 QICKPCCDIZRANX-UHFFFAOYSA-N 229.279 2.856 0 50 BFAA O=NN1C[C@@]23CCC=C[C@@]2(CCCC3)C1 5411795 ZXBDLRFZRVQEPX-NEPJUHHUSA-N 206.289 2.880 0 50 BFAA Cc1sc(C=O)cc1Br 12357543 NXBRLTKLAXZRPO-UHFFFAOYSA-N 205.076 2.632 0 50 BFAA in-vitro O=C1CCCc2cccc(Br)c21 12649037 DIYWCGZFCFYCIE-UHFFFAOYSA-N 225.085 2.968 0 50 BFAA in-vitro c1ccc(SCCCN2CCOCC2)cc1 20653065 JBSCLXVFNACVJW-UHFFFAOYSA-N 237.368 2.501 0 50 BFAA Sc1nc2ncc(Cl)cc2s1 40456646 WNODJDUJWQRQEQ-UHFFFAOYSA-N 202.691 2.633 0 50 BFAA in-vitro CCOC(=O)[C@@H]([C@H](C)CC)n1cccc1 40488291 RGEPVMUUYVYHRJ-GHMZBOCLSA-N 209.289 2.638 0 50 BFAA O=C(O)c1cccc(-c2ccccc2C(=O)O)c1 44199421 OFKNLQSJUCXVRY-UHFFFAOYSA-N 242.230 2.750 0 50 BFAA in-vitro CC(C)(C)OC(=O)NC1Cc2ccccc2C1 59072750 FYBRJCKBOUQTPH-UHFFFAOYSA-N 233.311 2.679 0 50 BFAA CCc1nc(C)c(C(=O)NCC2=CCCCC2)o1 67833878 LYYYXFCFHSUCCV-UHFFFAOYSA-N 248.326 2.776 0 50 BFAA CCc1ccccc1-c1nccn1CCN(C)C 67920018 HXTFPZDVTVPDSM-UHFFFAOYSA-N 243.354 2.674 0 50 BFAA CC[C@@H](C(=O)c1ccc(OC)cc1)N1CCCC1 97758810 BXVBGQDJXXGMRX-AWEZNQCLSA-N 247.338 2.752 0 50 BFAA in-vitro CS[C@H](C)CC(=O)N1CCC2(CCC2)C1 170590911 OJFQOVLSKFMKSZ-SNVBAGLBSA-N 227.373 2.531 0 50 BFAA O=C(O)c1cccc2nc(C(F)F)sc12 216388163 IFBJKRVQKFGLJM-UHFFFAOYSA-N 229.207 2.932 0 50 BFAA C[C@H](Oc1ccnc(N)c1)c1ccccc1 227669109 KOFKZTLVUHHSDB-JTQLQIEISA-N 214.268 2.804 0 50 BFAA Cc1cnc([C@H](C)Nc2cc(C(C)C)ncn2)[nH]1 1772703614 HIEMCVYBAZEIMP-JTQLQIEISA-N 245.330 2.805 0 50 BFAA CCn1ncc(-c2cccc3ccnn23)c1C 2356152658 UNPSJAPEFCRYTC-UHFFFAOYSA-N 226.283 2.526 0 50 BFAA Oc1ccc(CNC2CCCCC2)cc1 206168 GCSGMDJOIYTBGB-UHFFFAOYSA-N 205.301 2.815 0 50 BFAA in-vitro CC(=O)CCCCCCCCC(=O)O 1845839 UKHMENMPHVRROO-UHFFFAOYSA-N 200.278 2.781 0 50 BFAA CCCNC(=S)Nc1cccc(F)c1 2898966 HMXPPHRUTXJAJG-UHFFFAOYSA-N 212.293 2.522 0 50 BFAA COC[C@H](O)CSCc1ccc(Cl)cc1 4947872 FEMPDDWTLZNMQF-NSHDSACASA-N 246.759 2.581 0 50 BFAA COc1ccc(C=O)cc1CN1CCC[C@H](C)C1 34925017 PISJPJSRMYEKGK-LBPRGKRZSA-N 247.338 2.740 0 50 BFAA in-vitro CCCCc1ccc(-n2cnnc2)cc1 65384949 CLYPMNPUAVAXRH-UHFFFAOYSA-N 201.273 2.610 0 50 BFAA CCNC(=O)c1cccc(-c2cccc(N)c2)c1 85477183 CIJUFFOLJGFOQP-UHFFFAOYSA-N 240.306 2.686 0 50 BFAA in-vitro Cc1c(Br)cnc2nc(Cl)[nH]c12 95215346 TVQDWGLRUKHYQX-UHFFFAOYSA-N 246.495 2.682 0 50 BFAA in-vitro COCOCc1cccc(Br)c1 113993154 VNDYOHGWFBUTMJ-UHFFFAOYSA-N 231.089 2.570 0 50 BFAA c1cc(OC[C@@H]2CO2)cc(-c2nccs2)c1 143280162 YVLBKHNCBALXIY-LLVKDONJSA-N 233.292 2.588 0 50 BFAA Cc1c(Br)ccc2c1CCC2=O 168705330 RBVCMJNAVNKSIV-UHFFFAOYSA-N 225.085 2.886 0 50 BFAA in-vitro O=C([C@H]1C[C@@H]1C1CCC1)N1CCC12CCC2 170020967 IHUMYFAKSPOQLI-NEPJUHHUSA-N 219.328 2.578 0 50 BFAA OCCc1ccccc1OCc1ccc(F)cc1 170616281 NAVUUANEDPSNSF-UHFFFAOYSA-N 246.281 2.940 0 50 BFAA CC(C)c1cc(NCC2(N)CCCCC2)ncn1 261557943 CWRMVTRBVBHBGQ-UHFFFAOYSA-N 248.374 2.674 0 50 BFAA FC(F)Oc1ccncc1C(F)(F)F 263623984 MIMSEGXNWKFMSB-UHFFFAOYSA-N 213.105 2.702 0 50 BFAA COCC1(CNCc2sccc2C)CCC1 282187592 ZWWNZEXGZIZYTE-UHFFFAOYSA-N 239.384 2.963 0 50 BFAA CCCCn1cnc2[nH]c3ccccc3c2c1=O 408525003 GMFMITWVBZTFOU-UHFFFAOYSA-N 241.294 2.678 0 50 BFAA COc1cc2c(cc1-c1ncccc1F)OCO2 2100555521 VEUZVSWICFJJEH-UHFFFAOYSA-N 247.225 2.625 0 50 BFAA CNC(=O)Oc1cc(C)c(Cl)c(C)c1 2031477 UVPPWESDRAKSEO-UHFFFAOYSA-N 213.664 2.675 0 50 BFAA CC(=O)N1CCC(=O)c2cc3ccccc3cc21 3898877 GICRRTZYRDPQSE-UHFFFAOYSA-N 239.274 2.779 0 50 BFAA O[C@]12CCCC[C@@H]1[C@H](c1ccccc1)NCC2 4137223 NRCWMRBKHVZROJ-ILXRZTDVSA-N 231.339 2.642 0 50 BFAA biogenic C[C@@H](CC(=O)O)CC(=O)c1ccc(F)cc1 4264478 ZWBGHTFNUNUFKM-MRVPVSSYSA-N 224.231 2.509 0 50 BFAA O=Cc1cc(Cl)c(Br)cc1O 4290768 VWQYMROGJFPZGC-UHFFFAOYSA-N 235.464 2.621 0 50 BFAA C[S@@](=O)c1cc(Cl)cc(Cl)c1 6068441 XLMGZUCROJQLQK-NSHDSACASA-N 209.097 2.731 0 50 BFAA CC(C)Cc1ccc(-c2cc(C(=O)O)n[nH]2)cc1 6832595 SELOPTVAXDRILL-UHFFFAOYSA-N 244.294 2.973 0 50 BFAA in-vitro O=Cc1cnn(-c2ccc3ccccc3c2)c1 6865072 ZQTOQSZEFKUAKA-UHFFFAOYSA-N 222.247 2.838 0 50 BFAA in-vitro CCOC(=O)c1[nH]c2ccccc2c1Cl 19770064 BSEGLNNFMGYNDX-UHFFFAOYSA-N 223.659 2.998 0 50 BFAA Cc1cc2c(cc1C(F)(F)F)NCC2 38526380 SJDNGKSDFPRJQU-UHFFFAOYSA-N 201.191 2.982 0 50 BFAA Cc1ccc(Cl)nc1Br 44787404 VAUAZVCUPGVDPB-UHFFFAOYSA-N 206.470 2.806 0 50 BFAA in-vitro c1cn(-c2ccc(CN3CCCCC3)cc2)cn1 65497753 PXTNYZRTXZQPNL-UHFFFAOYSA-N 241.338 2.858 0 50 BFAA CN(C)N(C)c1ccc(Cl)c(Cl)c1 96026693 YSSVDIQJMDRBMC-UHFFFAOYSA-N 219.115 2.906 0 50 BFAA C[C@@H](O)[C@@H](C)SCc1cnc(Cl)s1 121203945 BMOHUSFVERKVPN-PHDIDXHHSA-N 237.777 2.799 0 50 BFAA Cc1nnc(-c2cncc(N)c2)c2ccccc12 216070520 QIACUDUOLWFKNR-UHFFFAOYSA-N 236.278 2.582 0 50 BFAA O=C(Cc1cccc(F)c1)N1CCCC12CCC2 335323541 ZPBMZGGAOKXUBW-UHFFFAOYSA-N 247.313 2.913 0 50 BFAA CCc1nc(-c2cc(C)c(OC)c(C)c2)n(C)n1 426612958 SROQQUHQRHSOBI-UHFFFAOYSA-N 245.326 2.670 0 50 BFAA Cc1n[nH]c(C)c1-c1ccc2c(c1)OCCC2=O 534648627 NIZWHVMGHKQBLQ-UHFFFAOYSA-N 242.278 2.659 0 50 BFAA Cc1cc2c[nH]nc2cc1[C@H]1CNCC[C@@H]1C 757214568 UAAUECORJHRENF-ZANVPECISA-N 229.327 2.584 0 50 BFAA c1csc(NCc2cc(C3CC3)no2)n1 901394705 GKBLUINDXQMZPP-UHFFFAOYSA-N 221.285 2.621 0 50 BFAA OC[C@@H]1CCCN1Cc1cccc2ccccc12 212294 JJLAWVROOFMBGH-HNNXBMFYSA-N 241.334 2.797 0 50 BFAA O=c1c(Cl)cc(Cl)nn1-c1ccccc1 271948 SPBXHODOBMVHQL-UHFFFAOYSA-N 241.077 2.539 0 50 BFAA CC(=O)S[C@H](C)CC(=O)Nc1ccccc1 281163 SBKPZDCRFAMXOV-SECBINFHSA-N 237.324 2.683 0 50 BFAA CC[C@@H](C)[C@@H](C(=O)N(C)C)c1ccccc1 394449 NLMQKWIDHNGIQC-DGCLKSJQSA-N 219.328 2.905 0 50 BFAA COC(COc1ccc(C(C)C)cc1)OC 402282 MQINCUIGBPXDQH-UHFFFAOYSA-N 224.300 2.808 0 50 BFAA C=CC(=O)Nc1ccc(Br)c(C)c1 455029 HZNXQCIUZMCRCJ-UHFFFAOYSA-N 240.100 2.882 0 50 BFAA Cn1ccc2cc(Br)ccc21 1727148 SBOITLSQLQGSLO-UHFFFAOYSA-N 210.074 2.941 0 50 BFAA in-vitro Nc1nc2cc(Cl)c(Cl)cc2o1 1998522 IHWQUKMGROAAEH-UHFFFAOYSA-N 203.028 2.717 0 50 BFAA in-vitro CCOC(=O)C[C@@H](N)c1ccc(C(C)C)cc1 2582530 QYECSIUAFGVMLM-CYBMUJFWSA-N 235.327 2.763 0 50 BFAA O=Cc1cccc(OC(=O)c2cccs2)c1 2597499 MRHAYCPNBNXLKP-UHFFFAOYSA-N 232.260 2.780 0 50 BFAA CCCC(=O)N[C@@H](CC)Cc1ccccc1 3095030 LPCHKHUWDBSQJO-ZDUSSCGKSA-N 219.328 2.924 0 50 BFAA C[C@@H](CCSC(=N)N)c1ccccc1 4013595 NZMPACDSYWNRIW-VIFPVBQESA-N 208.330 2.807 0 50 BFAA Cc1ccc(/C=C/C(=O)n2cccn2)cc1 4614262 XGVMPRUZCIDYMA-BQYQJAHWSA-N 212.252 2.545 0 50 BFAA COc1ccc(CCCCC(=O)O)c(OC)c1 5046353 RFDYHAGXJFZRFL-UHFFFAOYSA-N 238.283 2.501 0 50 BFAA C[C@@H]1CN(CC2CC2)Cc2ccccc2O1 12281278 ZMQVHKVCFAOIFA-LLVKDONJSA-N 217.312 2.680 0 50 BFAA CCNC/C=C/COc1ccccc1C 16622357 LQIVXOUXTMJWBP-VOTSOKGWSA-N 205.301 2.540 0 50 BFAA Cc1ccc([C@@H](C)NC(=O)C(C)C)cc1 45174574 NPWBDXZFHCXGQE-LLVKDONJSA-N 205.301 2.828 0 50 BFAA O=C(O)c1ccc(-c2ccc(F)cc2)cc1O 47206891 FZNXBABSGDSDJH-UHFFFAOYSA-N 232.210 2.897 0 50 BFAA in-vitro c1cc(-c2ccc(-c3ccon3)s2)n[nH]1 67489630 VDCVGRPBLWLDHZ-UHFFFAOYSA-N 217.253 2.793 0 50 BFAA CC(C)SCCn1ncc2ccccc2c1=O 95378197 OIQHWMMUVHQOBU-UHFFFAOYSA-N 248.351 2.538 0 50 BFAA Cc1ccccc1[C@H]1CCN(CCCCCO)C1 96026591 RHFFLWMLUMMCRW-HNNXBMFYSA-N 247.382 2.947 0 50 BFAA Cc1n[nH]c(C)c1-c1ccc2sc(N)nc2c1 96162131 BYAHRGMLEAOOBT-UHFFFAOYSA-N 244.323 2.885 0 50 BFAA Cc1noc(NCc2cccc(Cl)c2F)n1 134430872 WVZDHPZZBOFAEB-UHFFFAOYSA-N 241.653 2.783 0 50 BFAA C[C@H]1Cc2cc(Br)ccc2C(=O)O1 145811509 FQXNEJZEPHQHEK-LURJTMIESA-N 241.084 2.551 0 50 BFAA O=Cc1cc(Br)ccc1S 199580101 MDPXRAGTVDFRMD-UHFFFAOYSA-N 217.087 2.550 0 50 BFAA Fc1c(Cl)ccnc1N1CCCCC1 261493650 GOMIBCVNMFVTFT-UHFFFAOYSA-N 214.671 2.864 0 50 BFAA O=C(Nc1ccsc1)c1cncc(F)c1 334554757 ULNQCKBOCAEJNK-UHFFFAOYSA-N 222.244 2.535 0 50 BFAA CCSCCNCc1cnc(Cl)s1 585117176 SYXZABMPIJUNJG-UHFFFAOYSA-N 236.793 2.639 0 50 BFAA CN(C)c1noc(-c2cscc2Cl)n1 632098406 BPXMDOZHIQWFEQ-UHFFFAOYSA-N 229.692 2.518 0 50 BFAA CSc1cccc(CNC(=O)c2ccoc2)c1 1857685909 ZOSCIWLIDSJDLT-UHFFFAOYSA-N 247.319 2.932 0 50 BFAA CN(C)CC(C)(C)CN[C@H]1[C@H](F)CCC1(C)C 2325773686 OBEAFEXZDMZPJR-NEPJUHHUSA-N 244.398 2.691 0 50 BFAA CN(C)CC(C)(C)CN[C@@H]1[C@H](F)CCC1(C)C 2325773689 OBEAFEXZDMZPJR-VXGBXAGGSA-N 244.398 2.691 0 50 BFAA OCc1ccccc1NCc1ccccc1 394132 IZVGAWSZFRYTTD-UHFFFAOYSA-N 213.280 2.791 0 50 BFAA biogenic,in-vitro CCCOC(=O)c1ccc(NC(=O)C2CC2)cc1 2132224 LSQJNRNIBMXVFW-UHFFFAOYSA-N 247.294 2.602 0 50 BFAA O=C(O)CCCc1c[nH]c2ccc(F)cc12 2512934 IJAVCLNGRFTCBG-UHFFFAOYSA-N 221.231 2.714 0 50 BFAA in-vitro Nc1ccn(Cc2cccc(C(F)(F)F)c2)n1 2578487 ZSNWDVOWQIDLIM-UHFFFAOYSA-N 241.216 2.532 0 50 BFAA CCOc1cccc(CNCc2ccncc2)c1 2874620 OVXBSEPXRKWKFP-UHFFFAOYSA-N 242.322 2.770 0 50 BFAA O=C1N=C(c2ccccc2)[C@@H](c2ccccc2)N1 3866322 UXKWMBYYIUTXCY-CYBMUJFWSA-N 236.274 2.940 0 50 BFAA c1ccc2c(c1)oc1cc(-n3ncnn3)ccc12 4727431 DBYXGKXQKDLBFG-UHFFFAOYSA-N 236.234 2.562 0 50 BFAA CNCc1ccc(OCc2ccccc2)cc1 5910027 MZVIOYFRVOFCDI-UHFFFAOYSA-N 227.307 2.985 0 50 BFAA Cc1nc2c(C)cccc2c(O)c1CN(C)C 8714594 UKKVNKUSVHYXTG-UHFFFAOYSA-N 230.311 2.619 0 50 BFAA biogenic CCC(C)(C)C(=O)Nc1ccc2c(c1)CC(=O)N2 20295819 YHHAKYAGOKBCAT-UHFFFAOYSA-N 246.310 2.556 0 50 BFAA Cc1nn(C)c2cccc(Br)c12 36533424 UYDBSDZCDWTRGM-UHFFFAOYSA-N 225.089 2.644 0 50 BFAA in-vitro Cn1cnnc1-c1cc(Cl)ccc1Cl 67674906 GDVMDYCNWRVIKG-UHFFFAOYSA-N 228.082 2.789 0 50 BFAA CC(C)N(C(=O)c1ccc(O)cc1)C(C)C 141828589 YIJWBPAOJXIYJY-UHFFFAOYSA-N 221.300 2.651 0 50 BFAA CC[S@@](=O)Cc1cccc(Br)c1 170592913 SBLBEKUMCAXMLL-GFCCVEGCSA-N 247.157 2.718 0 50 BFAA O=C(NCc1ccccc1)Nc1ccc(F)cn1 181848033 WFHQULKDGBUSOS-UHFFFAOYSA-N 245.257 2.542 0 50 BFAA C[C@H]1CCN(Cc2csnn2)CC12CCC2 334249152 YPFLDFZWGRLQFQ-JTQLQIEISA-N 237.372 2.550 0 50 BFAA Cc1nc(CNc2cccnc2C2CC2)[nH]c1C 902292231 XRKBYWJFUBAJGO-UHFFFAOYSA-N 242.326 2.911 0 50 BFAA CC(C)C1=CC[C@]2(C)[C@@H](O)CC[C@@](C)(O)[C@H]2C1 1077995432 SOZSXJHFVBBAOY-ZQDZILKHSA-N 238.371 2.891 0 50 BFAA biogenic O=C(O)CCc1ccc(-c2ccc(F)cc2)[nH]1 94816 GNXKNUWDTRSSLM-UHFFFAOYSA-N 233.242 2.838 0 50 BFAA CC1CCN(C(=O)Oc2ccccc2)CC1 209909 WURIROSRKBPVMF-UHFFFAOYSA-N 219.284 2.917 0 50 BFAA CN(C)c1ccc(NC(=O)NC(C)(C)C)cc1 400430 CRNSLBZNRHUKGT-UHFFFAOYSA-N 235.331 2.673 0 50 BFAA O=C(CCC1CCCCC1)NC[C@@H]1CCCO1 434000 QRFBCFXKGGHMBD-ZDUSSCGKSA-N 239.359 2.642 0 50 BFAA O=C(Nc1ccon1)c1cccc(Cl)c1 1056321 YMDSPAORQHWBQI-UHFFFAOYSA-N 222.631 2.580 0 50 BFAA CCCCC(=O)Nc1cccc(C(=O)OCC)c1 2057739 GJIRIDJBESOOHT-UHFFFAOYSA-N 249.310 2.992 0 50 BFAA CCCCc1c(C(=O)O)cc(C)cc1C(=O)O 2464511 FAMJNRKZEKCASZ-UHFFFAOYSA-N 236.267 2.734 0 50 BFAA FC(F)(F)c1ccnc(Br)c1 2526213 WZVHLUMAQLUNTJ-UHFFFAOYSA-N 225.995 2.863 0 50 BFAA in-vitro Cc1ccsc1[C@H]1NC(=O)c2ccccc2N1 3251300 IJMUONPEFZBARK-GFCCVEGCSA-N 244.319 2.911 0 50 BFAA COC(=O)COc1ccc(C)cc1C(C)(C)C 4867808 APLAGYKAHULFTG-UHFFFAOYSA-N 236.311 2.844 0 50 BFAA Cc1cc(C)c(/C=C2/SC(=N)NC2=O)c(C)c1 5023812 YBJINUSELRVVGB-IZZDOVSWSA-N 246.335 2.751 0 50 BFAA Clc1ccccc1[C@H]1CNCCS1 14808252 SYNYZEPTKJHAMT-SNVBAGLBSA-N 213.733 2.718 0 50 BFAA c1ccc(CNCCNCc2ccccc2)cc1 19366161 JUHORIMYRDESRB-UHFFFAOYSA-N 240.350 2.566 0 50 BFAA in-man Cc1nc2scc(-c3ccco3)c2c(=O)[nH]1 20345643 UDHBCVMVWIIEKJ-UHFFFAOYSA-N 232.264 2.553 0 50 BFAA CC(C)Oc1cccc(/C=C/C(=O)O)c1 20526777 YODAQSSOKNXUNX-VOTSOKGWSA-N 206.241 2.572 0 50 BFAA biogenic,in-vitro c1coc(CN2CCc3ccccc3C2)c1 22591416 UGUADSPIGPHESN-UHFFFAOYSA-N 213.280 2.838 0 50 BFAA CC(C)(N)c1ccccc1Br 33487133 CKAXYTZRQQIOAL-UHFFFAOYSA-N 214.106 2.643 0 50 BFAA in-vitro Nc1c(Br)ccc2ncccc12 38537192 NTJCDJVVAOAONR-UHFFFAOYSA-N 223.073 2.580 0 50 BFAA in-vitro Cn1nc(Cl)c2ccc(Br)cc21 89157376 RHTHXDOLGOEEAY-UHFFFAOYSA-N 245.507 2.989 0 50 BFAA in-vitro C[C@@H](O)CCCn1cc(C(=O)O)c2ccccc21 95726654 JKTRSAHBYMWKAA-SNVBAGLBSA-N 247.294 2.501 0 50 BFAA in-vitro Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)cc1 101672092 VCDZSVIMPRTHGL-UBHSHLNASA-N 229.323 2.913 0 50 BFAA COc1ccc(Cl)c(Cl)c1C=O 118845145 LKRDOTPHEHYNEP-UHFFFAOYSA-N 205.040 2.815 0 50 BFAA CC(=O)c1cccnc1NC(=O)OC(C)(C)C 165989675 YJQDHZWWEIUCIS-UHFFFAOYSA-N 236.271 2.631 0 50 BFAA CCCn1c(=N)sc2cc(OC)ccc21 196367923 NNLFEEGXHSGUFW-UHFFFAOYSA-N 222.313 2.601 0 50 BFAA Cc1cncc(N2CC[C@@H]3CCCC[C@@H]32)n1 302080268 BPLARQFYIPUDFG-RYUDHWBXSA-N 217.316 2.554 0 50 BFAA C=CC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 863971386 QZPSTAIWTALKPD-ZNMIVQPWSA-N 241.334 2.967 0 50 BFAA CCN(C)C1(CNc2cnccn2)CCCCC1 1506403939 XSTGCCYLJJJFAD-UHFFFAOYSA-N 248.374 2.543 0 50 BFAA Cc1ccc([C@@H](C)Nc2nc(C)cc(C)n2)cn1 1704298214 HMKYVUUJRYHOHC-GFCCVEGCSA-N 242.326 2.970 0 50 BFAA COC(=O)c1cnc(Cl)cc1C(F)(F)F 153903 CFJDLJIDLYBQQY-UHFFFAOYSA-N 239.580 2.540 0 50 BFAA CCOc1cc(CN2CCCC2)ccc1OC 277621 HAOGSHSFZOZXTO-UHFFFAOYSA-N 235.327 2.690 0 50 BFAA O=C(Nc1cccc(Cl)c1)NC1CC1 355882 NCKKCXGGQIAKHO-UHFFFAOYSA-N 210.664 2.624 0 50 BFAA CC[C@H](O)C(O)(c1ccccc1)c1ccccc1 390810 DWBLJCMBQHQWRY-HNNXBMFYSA-N 242.318 2.693 0 50 BFAA CCCN(CCC)C(=O)c1cccnc1Cl 483249 IYYZOHKXBDGPAI-UHFFFAOYSA-N 240.734 2.997 0 50 BFAA COc1cc(CN2CCC[C@H](C)C2)cc(OC)c1 759128 GIGVKCKBTWCXIC-LBPRGKRZSA-N 249.354 2.936 0 50 BFAA O=C1O[C@H](c2ccccc2)C[C@H]1C(F)(F)F 2569739 VMFJOFAAYDXZBX-BDAKNGLRSA-N 230.185 2.853 0 50 BFAA CCN(CC)C(=O)CCCOc1ccccc1 2743455 AGYAYYJCNGHWHY-UHFFFAOYSA-N 235.327 2.714 0 50 BFAA CNC(=O)c1ccc(OCc2ccccc2)cc1 4843173 HBWLVNYQQWHTON-UHFFFAOYSA-N 241.290 2.625 0 50 BFAA N/C(=C\C(=O)c1ccccc1O)c1ccccc1 4955703 JFOIJLJGDKBCFN-RAXLEYEMSA-N 239.274 2.575 0 50 BFAA CC[C@H](C)N(C(=O)[C@@H]1CCCO1)[C@@H](C)CC 5984740 NUNUDSKUPNYYGR-SRVKXCTJSA-N 227.348 2.591 0 50 BFAA O=C(O)[C@@H]1CCCc2c1[nH]c1ccccc21 6658036 QFLIXPBSNSYURJ-SNVBAGLBSA-N 215.252 2.672 0 50 BFAA in-vitro CCCNC(=O)Nc1ccc(OC)c(Cl)c1 6698936 FPUCBDCUIFPEGY-UHFFFAOYSA-N 242.706 2.880 0 50 BFAA Cc1ccc(CC(=O)Nc2ccc(C)cn2)cc1 6715721 PRKBBANOODFOEQ-UHFFFAOYSA-N 240.306 2.880 0 50 BFAA Cc1cc(=O)c2ccc(Cl)c(C)c2[nH]1 8717942 LOJPYUFGOCWEHF-UHFFFAOYSA-N 207.660 2.798 0 50 BFAA in-vitro COc1cccc([C@@H]2CCCC[C@@H]2O)c1OC 12371645 XJDQMUVUAKSPLF-JQWIXIFHSA-N 236.311 2.722 0 50 BFAA c1ccc2c(c1)CCN[C@@H]2Cc1ccncc1 23397187 XZXRLJQGLNCIJN-OAHLLOKOSA-N 224.307 2.511 0 50 BFAA COC(=O)c1sc2ccc(Cl)cc2c1N 34082924 CFYACBCHHBWDOO-UHFFFAOYSA-N 241.699 2.924 0 50 BFAA in-vitro CC(C)(C)c1nc(-c2ccc(N)cc2)no1 35696797 YZTPLJDEDDWRFY-UHFFFAOYSA-N 217.272 2.616 0 50 BFAA in-vitro CNc1cc(Br)ccc1C 37368254 DCIICBHFLJQIKA-UHFFFAOYSA-N 200.079 2.799 0 50 BFAA in-vitro CC(C)(C)OC(=O)Nc1ccc(F)cn1 71676416 QJKDSHHDJJUUNY-UHFFFAOYSA-N 212.224 2.568 0 50 BFAA in-vitro CN(C)CCC[C@@](O)(c1ccccc1)C1CC1 71773751 PNTXRQPEWSPHRM-OAHLLOKOSA-N 233.355 2.626 0 50 BFAA Oc1c(Br)cccc1OC(F)F 170641258 LLHBDUJKZBAQMI-UHFFFAOYSA-N 239.015 2.756 0 50 BFAA in-vitro O=C(CSc1ncco1)c1ccccc1 236403040 HZDZZCFQVUBKDA-UHFFFAOYSA-N 219.265 2.650 0 50 BFAA C[C@H](NCc1ccsc1)[C@@H]1CCCOC1 309161654 ZIPMEWPTKHTKNQ-CMPLNLGQSA-N 225.357 2.653 0 50 BFAA O=[S@](O)c1ccc2c(c1)Cc1ccccc1-2 675059228 DQUDFSLKSITMGA-UHFFFAOYSA-N 230.288 2.838 0 50 BFAA Cc1ncsc1CN[C@@H]1C[C@H]2C=C[C@@H]1CC2 863983670 LZCAXBJIFPJUBR-QJPTWQEYSA-N 234.368 2.896 0 50 BFAA C1=CC[C@@H](c2nccn2C[C@@H]2CCCO2)CC1 1875242904 HRVXVTRTBHVWHZ-OLZOCXBDSA-N 232.327 2.886 0 50 BFAA CC1(C)CNC(C)(C)[C@@H]2c3ccccc3N[C@@H]21 271587 SRAZHGXLNZUJMK-OLZOCXBDSA-N 230.355 2.972 0 50 BFAA CCC(=O)Nc1cc(C)c(OC)c(C)c1 472071 NTWVOSZSOUMUEO-UHFFFAOYSA-N 207.273 2.661 0 50 BFAA CCCc1oc(C(=O)O)cc1CN(CC)CC 528519 PYAYAKBIZGSEPN-UHFFFAOYSA-N 239.315 2.772 0 50 BFAA CCOCCOC(=O)Nc1cccc(C)c1C 2172090 GZIAKIQPPVGRPP-UHFFFAOYSA-N 237.299 2.888 0 50 BFAA S=C1NC2(CCCCC2)NC12CCCCC2 5566775 URGJOYDECMYFMJ-UHFFFAOYSA-N 238.400 2.870 0 50 BFAA CC(C)Cc1nc2ccccc2n1[C@H](C)C(=O)O 6721113 XXBJTNCYZOPXBL-SNVBAGLBSA-N 246.310 2.880 0 50 BFAA COc1ccccc1[C@@H](C)NC(=O)c1ccco1 9218753 FZUSZVOFQIZJFW-SNVBAGLBSA-N 245.278 2.779 0 50 BFAA Cc1sc(N)c(C(=O)NC2CCCC2)c1C 9246153 VFJSQHMGQSSDTJ-UHFFFAOYSA-N 238.356 2.620 0 50 BFAA CC(=O)c1sc(-c2ccncc2)nc1C 12396717 CLSVDNCZAWBUDP-UHFFFAOYSA-N 218.281 2.716 0 50 BFAA in-vitro O=C(O)c1cccc(NC(=O)C2CCCC2)c1 13094517 ANRXMHUNVMNJAO-UHFFFAOYSA-N 233.267 2.514 0 50 BFAA O=C(NCc1ccccc1F)C1CCCC1 13327448 QFSHHIWFFLPBLJ-UHFFFAOYSA-N 221.275 2.632 0 50 BFAA Clc1ccc2c(Br)n[nH]c2c1 14983400 FFBNJOBVRVWUTM-UHFFFAOYSA-N 231.480 2.979 0 50 BFAA in-vitro CCOC(=O)c1cc(Br)cs1 34521848 SLNFTOHTVYSKLD-UHFFFAOYSA-N 235.102 2.687 0 50 BFAA COC(=O)c1cc(F)cc(-c2ccc(O)cc2)c1 65340108 NVWPOVNKUOPDLA-UHFFFAOYSA-N 246.237 2.985 0 50 BFAA in-vitro COc1cccc(F)c1-c1c[nH]c(C)n1 65527156 COQLACWJTKDIBT-UHFFFAOYSA-N 206.220 2.533 0 50 BFAA CCOc1ccc(-c2cncnc2)cc1 67982349 UVXTUPWOZYEGDX-UHFFFAOYSA-N 200.241 2.542 0 50 BFAA Cc1noc2ccc(Br)cc12 83297274 ITZVIXFFWVROPH-UHFFFAOYSA-N 212.046 2.899 0 50 BFAA in-vitro CC1(CNc2cnc(C(=O)O)cn2)CCCCC1 232813897 WEJOAKOZWQKGHW-UHFFFAOYSA-N 249.314 2.557 0 50 BFAA C[C@H]1C[C@@H](C)CN(C(=O)C[C@@H]2C=CCC2)C1 245202901 XBRHKOKFAOVBSD-FRRDWIJNSA-N 221.344 2.847 0 50 BFAA COC(=O)[C@@H]1C[C@H]2C[C@H]1C1=C2[C@H]2CC[C@H]1C2 257357191 MOOOBMFVCSCOAY-FBDQPXRJSA-N 218.296 2.542 0 50 BFAA C[C@H]1CC[C@@H](Sc2nc3ncncc3[nH]2)C1 292639974 LMVNJUUTSNVSBB-JGVFFNPUSA-N 234.328 2.634 0 50 BFAA O=Cc1nc(C(F)(F)F)ccc1OC(F)F 390053805 LDVCTHPXFUCEFR-UHFFFAOYSA-N 241.115 2.514 0 50 BFAA NC(=O)Cc1ccc(-c2ccc(F)cc2F)cc1 426634143 HGZCMNGHZSPNMQ-UHFFFAOYSA-N 247.244 2.660 0 50 BFAA CC(C)(C)OC(=O)Cc1ncnc2ccccc12 585656305 BBIOXNNTEMJFHS-UHFFFAOYSA-N 244.294 2.514 0 50 BFAA CC[C@]1(C(=O)OC)O[C@]1(C)c1ccc(C)s1 669382357 GPSUPBKLCLTVKN-VXGBXAGGSA-N 240.324 2.624 0 50 BFAA CCOC(=O)c1c(C)nn(-c2ccccc2)c1C 109912 BUIZDUYEIRRDAV-UHFFFAOYSA-N 244.294 2.666 0 50 BFAA in-vivo CC[C@@H](O)c1ccc(Br)cc1 394600 QLMFTKHAIDWIDC-SECBINFHSA-N 215.090 2.893 0 50 BFAA in-vitro O=C(Nc1ccccc1)c1ccc2c(c1)OCO2 445055 BYYSRQHVIOZWEJ-UHFFFAOYSA-N 241.246 2.668 0 50 BFAA COc1cccc(NC(=S)NC(C)(C)C)c1 472905 ZRPONRMKHMENHX-UHFFFAOYSA-N 238.356 2.780 0 50 BFAA CCOc1ccccc1C(=S)N1CCCC1 1050397 GQVHGCAXSQVWKK-UHFFFAOYSA-N 235.352 2.857 0 50 BFAA Cn1cc([C@@H](O)C(F)(F)F)c2ccccc21 1399170 ARPIRHUPDYIDHC-SNVBAGLBSA-N 229.201 2.774 0 50 BFAA CC(C)(C)OC(=O)NCc1cccc(C=O)c1 4287778 JORXNWZTJLYRQA-UHFFFAOYSA-N 235.283 2.524 0 50 BFAA O[C@@H](CN1CCCCCC1)c1ccccc1 4612864 CCWFMRDERJDZCQ-AWEZNQCLSA-N 219.328 2.596 0 50 BFAA NC(=O)N[C@H](c1ccccc1)c1ccccc1F 5005396 ODXYTAROUUKKPM-CYBMUJFWSA-N 244.269 2.583 0 50 BFAA CCCc1nnc(S)n1C1CCCC1 5855373 JDFYBBITLSHYFT-UHFFFAOYSA-N 211.334 2.634 0 50 BFAA Cc1ccccc1C(=O)Nc1ccc(N)cc1O 6709630 IRRLMACLEYNXFR-UHFFFAOYSA-N 242.278 2.535 0 50 BFAA COc1ccc(-c2ccc(Cl)nn2)cc1 13564069 TZBSFHQGJIBFLX-UHFFFAOYSA-N 220.659 2.806 0 50 BFAA in-vitro COc1ccccc1-c1ncc(C(=O)O)s1 20439993 ONZZRBTXLNMHPM-UHFFFAOYSA-N 235.264 2.517 0 50 BFAA CC(C)C(=O)c1ccc([C@@H](C)C(=O)O)cc1 22065597 RCINGEKPKJQCMO-SECBINFHSA-N 220.268 2.713 0 50 BFAA in-vitro CCCCSc1cc(N)ccc1C(=O)NC 22863250 MIZBXADTWPUFQK-UHFFFAOYSA-N 238.356 2.521 0 50 BFAA CC[C@@H](C)N(CCCN)Cc1cccs1 32919836 UYBXHGRUMLNCFN-LLVKDONJSA-N 226.389 2.697 0 50 BFAA Clc1ccc(CO[C@H]2CCNC2)c(Cl)c1 36142140 IJHMQHBTIMTDJW-JTQLQIEISA-N 246.137 2.872 0 50 BFAA in-vitro C[C@@H](C(=O)O)c1cccc(Br)c1 36377932 QLHMQZFTSIHQIT-ZCFIWIBFSA-N 229.073 2.637 0 50 BFAA CCCn1ncc(-c2nc(CC(C)C)n[nH]2)c1C 65381471 RBEPSXGBXDQARA-UHFFFAOYSA-N 247.346 2.585 0 50 BFAA Cc1ccc2nc(-c3cccc(N)c3)cn2c1 82238058 STXDTOSRJXNYOW-UHFFFAOYSA-N 223.279 2.892 0 50 BFAA CC(C)=CCC[C@@H](C)N[C@@H]1C=C[C@H](CO)C1 134809404 NMUQCMHVNFURME-HZSPNIEDSA-N 223.360 2.648 0 50 BFAA Cc1nsc(N[C@@H]2CC23CCCC3)n1 306539385 NEICQBRAECGIPK-MRVPVSSYSA-N 209.318 2.591 0 50 BFAA Fc1cccnc1-c1nccn1C1CCC1 1875251361 BFASEQCWIVAYHD-UHFFFAOYSA-N 217.247 2.809 0 50 BFAA C=CC(=O)N[C@H](C)CCc1c(F)cccc1F 1875376346 TYWOHKUZXMHPTI-SECBINFHSA-N 239.265 2.588 0 50 BFAA CCCC(=O)N[C@@H](C)c1nc2ccccc2[nH]1 200906 PFTUDPMBUUOMGI-VIFPVBQESA-N 231.299 2.540 0 50 BFAA Cc1cccc(NC(=O)NCc2cccnc2)c1 395278 DFHAEVXNNZQIQF-UHFFFAOYSA-N 241.294 2.712 0 50 BFAA Cc1oc(-c2ccc3c(c2)OCO3)cc1C(=O)O 611737 LIXHYYAASODLNG-UHFFFAOYSA-N 246.218 2.682 0 50 BFAA O=Cc1cccc(OC(F)(F)C(F)F)c1 2168368 LAFOZKQZOGJYKC-UHFFFAOYSA-N 222.137 2.736 0 50 BFAA Nc1cc(Br)cc2cc[nH]c12 2389401 ZRTCJQGCGWZTAG-UHFFFAOYSA-N 211.062 2.513 0 50 BFAA in-vitro NCc1cn(-c2ccccc2)nc1-c1ccccc1 2581648 LWAPGZAVLLWYAC-UHFFFAOYSA-N 249.317 2.998 0 50 BFAA S=C(Nc1ccccc1)c1ccccn1 4557220 HOMILEBHBIPJEZ-UHFFFAOYSA-N 214.293 2.869 0 50 BFAA Cc1ccc(C(C)(C)C)c(O)c1C(=O)O 4787041 JXQCUCDXLSGQNZ-UHFFFAOYSA-N 208.257 2.696 0 50 BFAA Cc1nc(-c2ccccc2)c(C=O)s1 12370267 LQEZDDVXBGIBSF-UHFFFAOYSA-N 203.266 2.931 0 50 BFAA in-vitro O=C(O)c1c(F)cc(Cl)cc1Cl 40571344 RGGDLWPZNITCMJ-UHFFFAOYSA-N 209.003 2.831 0 50 BFAA in-vitro Cc1noc(CCc2c[nH]c3ccccc23)n1 43135898 JDGKHCYJDSJLRA-UHFFFAOYSA-N 227.267 2.645 0 50 BFAA O=C(OCc1ccccc1)N1CC=C[C@@H](F)C1 95644185 WERNXLLMQDGBRF-GFCCVEGCSA-N 235.258 2.533 0 50 BFAA in-vitro CCN(C)C(C)(C)C(=O)c1cccc(C)c1 96027153 RLPWDPUIMULWJG-UHFFFAOYSA-N 219.328 2.908 0 50 BFAA O=C(O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 100003583 GMOBHRQSNDDZAD-YJTAMFCSSA-N 214.692 2.649 0 50 BFAA in-vitro CC1=CCN(C(=O)OCc2ccccc2)CC1 202199813 UKYRFVHEBPMALB-UHFFFAOYSA-N 231.295 2.975 0 50 BFAA Cc1ccc(C)c(-c2ccc(CN)cn2)c1 259116633 GUWOHJCPWVLAJV-UHFFFAOYSA-N 212.296 2.824 0 50 BFAA Fc1ccc2nccnc2c1Br 259426202 JYCIDRGPCBMJAP-UHFFFAOYSA-N 227.036 2.531 0 50 BFAA C[C@H]1CN(Cc2ccccn2)CCC1(F)F 336230117 AEXNKXRYIKZVKB-JTQLQIEISA-N 226.270 2.559 0 50 BFAA CN[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1c1ccc(F)cc1 526058954 FNZPIQOIWZUNAL-IMIFBBOLSA-N 219.303 2.927 0 50 BFAA O=C(OCC1CCC1)c1cccc2[nH]ncc12 744198530 HGTPMCOFKRPXKE-UHFFFAOYSA-N 230.267 2.520 0 50 BFAA COCC[C@H]1CCCN(CCSC(C)C)C1 824384155 RPRHZPQZHQFWEX-CYBMUJFWSA-N 245.432 2.877 0 50 BFAA C=CC(=O)N(CCC)CCc1cccc(F)c1 1353213825 CCIFSYFHPNOKPE-UHFFFAOYSA-N 235.302 2.793 0 50 BFAA C=CC(=O)Nc1cc(F)c2nc(C)sc2c1 1775997632 NDKLQRWGKXHDDD-UHFFFAOYSA-N 236.271 2.868 0 50 BFAA COc1c(Br)cc(Cl)cc1C=O 615564 WMHPXUMZJOUCSK-UHFFFAOYSA-N 249.491 2.924 0 50 BFAA COc1ccc(Oc2cccc(CN)c2)cc1 2513114 KUDOQUMNVIEJNA-UHFFFAOYSA-N 229.279 2.946 0 50 BFAA NC(=S)Nc1cccc(Cl)c1Cl 2528124 AHQMVDBEJWQFIR-UHFFFAOYSA-N 221.112 2.649 0 50 BFAA in-vitro O=C(NCc1ccco1)Nc1ccccc1F 2889982 OHSAHFGWDMVFIZ-UHFFFAOYSA-N 234.230 2.740 0 50 BFAA COc1cc(CNCc2ccco2)cc(OC)c1 5006464 XTHUPAXHHZFBNB-UHFFFAOYSA-N 247.294 2.587 0 50 BFAA Cc1cccc(CNCc2ccccc2)n1 6677762 MDMYZHXWIQUEFB-UHFFFAOYSA-N 212.296 2.680 0 50 BFAA in-vitro CCOC(=O)CSc1ccccc1Cl 20302621 RVLGNQKQFWQUOA-UHFFFAOYSA-N 230.716 2.995 0 50 BFAA CCOc1ccc(O)c(C(F)(F)F)c1 39099393 FFFDNYUQDANXCE-UHFFFAOYSA-N 206.163 2.810 0 50 BFAA Cc1cc([C@@H](O)C(F)(F)F)ccc1F 50559655 FLOXSHGFDIXSRP-MRVPVSSYSA-N 208.154 2.730 0 50 BFAA Cc1n[nH]c(C)c1CCc1ccc([C@@H](C)O)cc1 77458436 MWKYLBVZGBBQOD-GFCCVEGCSA-N 244.338 2.865 0 50 BFAA CC(C)CCOc1cccc2c1ncn2C 170609011 NTHVISGQKPKZPA-UHFFFAOYSA-N 218.300 2.998 0 50 BFAA c1nc(N2CC[C@H]3CCCC[C@H]32)c2cc[nH]c2n1 195463881 JKLNAJIHZIIHPB-ZYHUDNBSSA-N 242.326 2.727 0 50 BFAA Cc1c(Br)cccc1SCCO 255187897 HLFDYHASLGCCSK-UHFFFAOYSA-N 247.157 2.842 0 50 BFAA Cn1ccc(CN[C@H]2CCCC(F)(F)C2)c1 309576755 OZZGOEKNIIKZIQ-NSHDSACASA-N 228.286 2.693 0 50 BFAA CC(C)c1ccc(-c2cccc(CO)c2)nn1 426535660 HPMGUJMHUCOIMV-UHFFFAOYSA-N 228.295 2.759 0 50 BFAA C=CC(=O)N[C@@H]1CCSc2c(F)cccc21 791324133 UOTQOMDLQVADHT-SNVBAGLBSA-N 237.299 2.665 0 50 BFAA Cc1ccc(NC(=O)[C@H](C)n2cccc2)cc1 888103916 KTELVWUHMCXASP-LBPRGKRZSA-N 228.295 2.996 0 50 BFAA CN1CCC[C@@H](Cn2ccnc2C2CCCC2)C1 1875246695 JYGKWIQODBRYGV-CYBMUJFWSA-N 247.386 2.883 0 50 BFAA CC(=O)N[C@@H](C)c1nc2ccccc2n1C(C)C 200813 IBICGDODLANBBT-JTQLQIEISA-N 245.326 2.814 0 50 BFAA C[C@@H](Sc1nc2ccccc2s1)C(=O)O 209943 ZRMKAMAPVMHSFW-ZCFIWIBFSA-N 239.321 2.862 0 50 BFAA COc1ccccc1OCc1ccoc1C(=O)O 282606 SIFKXTRDXYRSQK-UHFFFAOYSA-N 248.234 2.565 0 50 BFAA CC(C)(C)C(=O)NC(=S)Nc1ccccc1 310694 NDZOHSWHYQDPOR-UHFFFAOYSA-N 236.340 2.546 0 50 BFAA Cc1cccc(C[C@H](CO)c2ccccc2)n1 393461 QVNGRAVUWMOPLO-CQSZACIVSA-N 227.307 2.709 0 50 BFAA COc1ccc(F)cc1-c1ccc(C=O)cn1 2527577 VPAHLIRLUDHRNY-UHFFFAOYSA-N 231.226 2.709 0 50 BFAA Cc1ccc(F)cc1CC1CCNCC1 2555450 QHUURGRXVHHZCF-UHFFFAOYSA-N 207.292 2.676 0 50 BFAA in-vitro Cc1ccc(NC2(C(=O)O)CCCC2)cc1 2559701 VTYHRBPLKFUBFN-UHFFFAOYSA-N 219.284 2.804 0 50 BFAA in-vitro CC(=O)c1cccc(NC(=O)C(C)(C)C)c1 5383513 CRJNODJQTIHMRS-UHFFFAOYSA-N 219.284 2.874 0 50 BFAA COC(=O)c1ccc(Cl)cc1Br 34469285 BIFARHLBYAKSSN-UHFFFAOYSA-N 249.491 2.889 0 50 BFAA in-vitro O=C1CCCNc2ccc(Br)cc21 39931098 XIFKOJPBXZKSAZ-UHFFFAOYSA-N 240.100 2.838 0 50 BFAA CC(C)Oc1cc(Br)ccc1N 40571676 LHQVHOZQUWBMDO-UHFFFAOYSA-N 230.105 2.819 0 50 BFAA in-vitro N[C@@H](CCc1ccccc1)C(F)(F)F 44138947 CJIJQPOXSZBIGD-VIFPVBQESA-N 203.207 2.509 0 50 BFAA in-vitro CCCC(CCC)N[C@H](C)c1n[nH]c(C)n1 67642302 DRDUMVDLUYLBMA-SECBINFHSA-N 224.352 2.733 0 50 BFAA CCN(CC)CCCn1ccnc1-c1ccco1 82091370 LHFFDIGPJQHELH-UHFFFAOYSA-N 247.342 2.875 0 50 BFAA O=c1cc(CCCCOc2ccccc2)cc[nH]1 91552026 JQHMSGSKEMVJBI-UHFFFAOYSA-N 243.306 2.777 0 50 BFAA CC[C@H](O)/C(C)=C/c1ccc(OC)cc1 149826429 FRBJQBKEQMTJBO-LXKVQUBZSA-N 206.285 2.869 0 50 BFAA Cc1cc(C[C@H](C)NCCC(C)(C)C)n[nH]1 188112768 PEDKFMZQBKCURI-JTQLQIEISA-N 223.364 2.675 0 50 BFAA NCCc1c(C(F)(F)F)[nH]c2ccccc12 196405851 VJXSSONPAKTNMF-UHFFFAOYSA-N 228.217 2.688 0 50 BFAA CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O 225809631 MZQWVAAARQHIFQ-VIFPVBQESA-N 245.244 2.759 0 50 BFAA CCc1nc([C@@H]2CCCN2[C@@H]2C=CCCC2)no1 257365274 OVGWYGKOWXOEJI-NEPJUHHUSA-N 247.342 2.878 0 50 BFAA CCCCOc1cc(O)c(F)cc1F 261493892 LLIZAZWPWFUVKH-UHFFFAOYSA-N 202.200 2.849 0 50 BFAA CN(CC1CCCCC1)c1ncnc2[nH]ccc12 339135398 UFPTVZQRWCUOQO-UHFFFAOYSA-N 244.342 2.974 0 50 BFAA CO[C@H](C)c1cccc(-c2cc(O)ncn2)c1 426519047 YZPOQBJTJYQHNC-SECBINFHSA-N 230.267 2.557 0 50 BFAA CO[C@@H](C)c1cccc(-c2ccc(C(N)=O)o2)c1 426730291 CTDGBRQQYCMFNQ-VIFPVBQESA-N 245.278 2.753 0 50 BFAA C=CC(=O)N1CCCCc2sccc21 952884926 SHIASNRJPNPSSO-UHFFFAOYSA-N 207.298 2.603 0 50 BFAA COCc1ccc(NC(=O)c2ccc(C)[nH]2)cc1 1875341053 DLCBCIVATXDITP-UHFFFAOYSA-N 244.294 2.722 0 50 BFAA Cc1ccc2cc(NC(=O)C3CC3)cnc2c1 2325784154 DNJRNYQZSGKCHD-UHFFFAOYSA-N 226.279 2.892 0 50 BFAA COc1ccc([C@H]2CCCC[C@H]2O)cc1 393737 FHVVYVTWZBXZBN-CHWSQXEVSA-N 206.285 2.714 0 50 BFAA Cc1ccoc1C(=O)NCc1ccccc1 448548 RTHZTQTZYJGDDM-UHFFFAOYSA-N 215.252 2.518 0 50 BFAA Cc1cc(F)ccc1C(=O)C(F)(F)F 2378584 MGSWWZBSVVEQTP-UHFFFAOYSA-N 206.138 2.879 0 50 BFAA CCn1ncc(NC(=O)c2ccccc2F)c1C 2796440 PBGMGCCRWGPBNH-UHFFFAOYSA-N 247.273 2.603 0 50 BFAA C[C@@H]1CCCN(CCOc2ccccc2C=O)C1 4841416 PZXIULVRSZKBKX-CYBMUJFWSA-N 247.338 2.610 0 50 BFAA in-vitro Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1 19258870 BTYGVWLNBSALEF-UHFFFAOYSA-N 238.718 2.548 0 50 BFAA Cc1ccc(C(=O)CCC(=O)O)cc1Cl 39243390 LCODGAWZEVOUEX-UHFFFAOYSA-N 226.659 2.696 0 50 BFAA Cc1ccccc1O[C@@H](C)C(=O)N1CCCCC1 59267371 CQKBDWHOWFJPKA-ZDUSSCGKSA-N 247.338 2.775 0 50 BFAA Brc1ccc(C2COC2)cc1 95630827 NASAZXLCAPUVRH-UHFFFAOYSA-N 213.074 2.563 0 50 BFAA in-vitro Cc1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[S@@](=O)N2 100167800 SNZUAMJDPKNTCJ-KPJOVKQNSA-N 247.363 2.966 0 50 BFAA CCC[C@@H]1CCCN(C(=O)c2cccc(N)c2)C1 178615406 AIQGLKUUFQBFFD-GFCCVEGCSA-N 246.354 2.921 0 50 BFAA CN(C)C(=O)CC(C)(C)CC(=O)c1ccccc1 241132993 JNVSQORYNVEAOU-UHFFFAOYSA-N 247.338 2.764 0 50 BFAA C[C@H](N[C@H]1/C=C/CCCCC1)c1cnn(C)c1 242273790 YFXXUAKCYHIXEP-JSGCOSHPSA-N 233.359 2.960 0 50 BFAA O=C(O)c1nc2cc(F)ccc2n1CC1CCC1 255190199 VPKXLXOOCSSGGR-UHFFFAOYSA-N 248.257 2.674 0 50 BFAA C[C@@H]1C[C@H](C(=O)O)CN(CCC2CCCC2)C1 263344240 OEESEFVVLGMYCO-YPMHNXCESA-N 239.359 2.609 0 50 BFAA CC(=O)N(C)Cc1c(Cl)cccc1Cl 298391923 UENKEFYXNFQIIC-UHFFFAOYSA-N 232.110 2.972 0 50 BFAA in-vitro O=C1OC[C@H](Sc2ccc3c(c2)CCC3)O1 408516400 YDUWUDCBJXDSPU-NSHDSACASA-N 236.292 2.760 0 50 BFAA C(=C/C1CCCCC1)\c1ncnc2[nH]cnc12 426518664 DGGXEHXZCJBGQG-VOTSOKGWSA-N 228.299 2.946 0 50 BFAA Cc1ccc(NC(=O)N2CC[C@H]3CCC[C@H]32)cn1 681774444 XNNZVQDUISXFIH-DGCLKSJQSA-N 245.326 2.796 0 50 BFAA C[C@@H](CC1CCCCC1)NC[C@@H](O)C1CC1 689831137 BNSVCJBBSDUQEU-SMDDNHRTSA-N 225.376 2.706 0 50 BFAA C=CC(=O)NC1(Cc2cccc(Cl)c2)CC1 863971120 FZKMWHNIJOXZFR-UHFFFAOYSA-N 235.714 2.717 0 50 BFAA CCc1ccc(-c2csc(N)n2)cc1 149190 YDFOGNLELPWXHU-UHFFFAOYSA-N 204.298 2.955 0 50 BFAA in-vitro Cc1ccnc(NC(=O)C2CCCCC2)c1 240877 OWDGEVYSKQXIPT-UHFFFAOYSA-N 218.300 2.909 0 50 BFAA CCOc1ccc2nc(S)sc2c1 291792 HOASVNMVYBSLSU-UHFFFAOYSA-N 211.311 2.984 0 50 BFAA biogenic Cc1ccc(NC(=O)N2CCCC2)cc1 2352445 FFCRJNWJPHNZQO-UHFFFAOYSA-N 204.273 2.623 0 50 BFAA Oc1ccc(Br)c(Cl)c1 2545221 FQEYHIPPYOSPLF-UHFFFAOYSA-N 207.454 2.808 0 50 BFAA COc1ccc(CN[C@H]2CCCC[C@@H]2OC)cc1 4030879 IXIIAAAZONRLLO-GJZGRUSLSA-N 249.354 2.742 0 50 BFAA O=Cc1csc(-c2ccc(F)cc2)n1 4219189 JICLYSLZMLTUSP-UHFFFAOYSA-N 207.229 2.762 0 50 BFAA in-vitro Cc1ccccc1CNCc1ccncc1 4413634 BAQUMWQESDDFQQ-UHFFFAOYSA-N 212.296 2.680 0 50 BFAA in-vitro Oc1c(F)c(F)c(Br)c(F)c1F 4644817 ZBYSEVWUBQSGKC-UHFFFAOYSA-N 244.969 2.711 0 50 BFAA in-vitro Cc1nc(Cn2nnc3ccccc32)sc1C 5378477 LLDGRZBOQNKGDE-UHFFFAOYSA-N 244.323 2.553 0 50 BFAA CC(=O)c1cc(-c2ccc(F)cc2)no1 8700507 FYOVARWWAUYDFV-UHFFFAOYSA-N 205.188 2.683 0 50 BFAA Cc1ccc(Cl)c(OC2CCNCC2)c1 12138050 MTMIZXIWQUAWTF-UHFFFAOYSA-N 225.719 2.779 0 50 BFAA CC(C)n1ccc2ccc(C(=O)O)cc21 20550506 WUGHVWTWRRQKDA-UHFFFAOYSA-N 203.241 2.920 0 50 BFAA biogenic,in-vitro O=C(O)c1cc2cc(F)ccc2c(Cl)n1 125341071 LPRVXCMQTRIQRT-UHFFFAOYSA-N 225.606 2.726 0 50 BFAA CCC(=O)[C@@H]1Cc2cc(Cl)ccc2C1=O 127691162 BJGUNCPFPCYGGO-JTQLQIEISA-N 222.671 2.674 0 50 BFAA O=C(/C=C/c1ccc[nH]1)OCCc1ccccc1 170602844 OFIHBEYKJQPWCM-CMDGGOBGSA-N 241.290 2.814 0 50 BFAA CC(C)[C@H](C)NC(=O)c1cnoc1-c1ccoc1 170607849 QGDIORREXMZASH-VIFPVBQESA-N 248.282 2.709 0 50 BFAA CCc1noc(-c2ccc(NC)cc2Cl)n1 1775998681 HTZOIHPAYOFWHF-UHFFFAOYSA-N 237.690 2.994 0 50 BFAA COc1cncc(-c2ocnc2CC2CC2)c1 2356136674 DWCIIFFAEMDDBP-UHFFFAOYSA-N 230.267 2.698 0 50 BFAA O=C(NC1CCCCC1)N1CCCCCC1 315953 KFRATZXXWCOLKQ-UHFFFAOYSA-N 224.348 2.905 0 50 BFAA O=C(O)CCCCCCCCCCO 2168567 KNRCBASNXNXUQQ-UHFFFAOYSA-N 202.294 2.574 0 50 BFAA in-vitro CN(C)Cc1cccc(Br)c1 2529190 NENUHAOLAJUKLM-UHFFFAOYSA-N 214.106 2.511 0 50 BFAA in-vitro Cc1ccc(C(=O)NCc2ccccc2)o1 2742660 MAOGHEKHVXRNKE-UHFFFAOYSA-N 215.252 2.518 0 50 BFAA CCN(CC)c1ccc(C(=S)N(C)C)cc1 3173122 KSSLWGIGLZRETN-UHFFFAOYSA-N 236.384 2.770 0 50 BFAA CN(C)c1ccc([C@H](O)c2cccc(F)c2)cc1 4244750 FNIGACIZNATXGU-HNNXBMFYSA-N 245.297 2.973 0 50 BFAA C[C@H](CC(=O)O)CC(=O)c1ccc(F)cc1 4264475 ZWBGHTFNUNUFKM-QMMMGPOBSA-N 224.231 2.509 0 50 BFAA C[C@@H](Cc1nc2ccccc2s1)C(=O)O 12383640 AYJNWWIHAPBLLG-ZETCQYMHSA-N 221.281 2.560 0 50 BFAA CCOC(=O)c1cc(C)n(Cc2ccco2)c1C 16576934 HTPSACSWHIBYSW-UHFFFAOYSA-N 247.294 2.923 0 50 BFAA c1cc(-c2noc([C@@H]3CCCO3)n2)cs1 19144108 IOTPZZNTZZPLKQ-QMMMGPOBSA-N 222.269 2.650 0 50 BFAA CC(C)(C)OC(=O)n1cnc2ccccc21 34305076 CROWJIMGVQLMPG-UHFFFAOYSA-N 218.256 2.820 0 50 BFAA in-vitro C(=C/c1ccccn1)\c1cccc(-n2cnnc2)c1 65382484 TYYYIRVPSJQTDJ-BQYQJAHWSA-N 248.289 2.833 0 50 BFAA c1ccc([C@@H]2CCCN2Cc2cscn2)nc1 72170435 SUKCDYLHSPUPDR-ZDUSSCGKSA-N 245.351 2.875 0 50 BFAA CC(C)(C)C(=O)CC(=O)C(F)(F)C(F)(F)F 100044057 FTTQCEGWFGHNDU-UHFFFAOYSA-N 246.175 2.758 0 50 BFAA in-vitro C1CCC(N2CCN([C@@H]3C[C@H]4CC[C@H]3C4)CC2)C1 101238495 DNNZFCPRPFOCHG-OFQRWUPVSA-N 248.414 2.735 0 50 BFAA Cc1cc(Cl)ccc1CNC[C@H](C)CCO 129908728 VFEZZRFVXGMLAK-SNVBAGLBSA-N 241.762 2.757 0 50 BFAA O=[N+]1C(c2ccccc2)=CN(O)[C@@H]2CCCC[C@@H]21 334157232 YTLJVIPSWQNKCW-OLZOCXBDSA-N 245.302 2.780 0 50 BFAA COc1ccc(Br)cc1C 403409 UDLRGQOHGYWLCS-UHFFFAOYSA-N 201.063 2.766 0 50 BFAA in-vitro COc1c(F)cc(Br)cc1F 2574964 CDOQKISJPOWBKC-UHFFFAOYSA-N 223.016 2.736 0 50 BFAA biogenic,in-vitro CCc1nnc(NC(=O)CC2CCCC2)s1 7348170 GTPGUFGSOKENFV-UHFFFAOYSA-N 239.344 2.619 0 50 BFAA C[C@@H]1CCC[C@@H](C)N1C(=O)NC1CCCC1 13328226 YUVDGWCUBSIXBY-GHMZBOCLSA-N 224.348 2.902 0 50 BFAA O=C(O)c1cccc(-c2cccc(CO)c2)c1 16947602 SWVDMIKPVOEKNC-UHFFFAOYSA-N 228.247 2.544 0 50 BFAA in-vitro CC1(C)COC(c2ccc3ccccc3n2)=N1 71773531 QCVNRITUPLGEMZ-UHFFFAOYSA-N 226.279 2.790 0 50 BFAA O=C(O)CCCN1CCC[C@@H]1Cc1ccccc1 116343796 IEZAGVMTLXHJPZ-CQSZACIVSA-N 247.338 2.558 0 50 BFAA CC(C)c1cc(C(=O)Nc2nccs2)no1 133658761 CJZFNFDEOFLENQ-UHFFFAOYSA-N 237.284 2.507 0 50 BFAA CNCc1c(C)cc(Br)cc1C 167168297 LHNWXFBLOVDVEU-UHFFFAOYSA-N 228.133 2.785 0 50 BFAA CCCC(CCC)N[C@@H]1C[C@H](OCC)[C@H]1OC 253370982 YZAUNVRPQYKWAG-RDBSUJKOSA-N 243.391 2.737 0 50 BFAA O=C1O[C@@H]2[C@H]3C[C@@H](C[C@H]13)[C@H]2Sc1ccccc1 256543517 BKQRLBIGHDNYAP-KHAFSYESSA-N 246.331 2.729 0 50 BFAA Fc1cccc([C@H]2CCCN2c2cnccn2)c1 298698053 DSUHASCMBKOGNE-CYBMUJFWSA-N 243.285 2.957 0 50 BFAA Cc1cc(Cl)ccc1O[C@H](C)C(=O)O 256144 WNTGYJSOUMFZEP-SSDOTTSWSA-N 214.648 2.500 0 50 BFAA biogenic,in-vitro COc1cccc2c1CCC[C@H]2N(C)C 1998450 ZVHMNCGDTLBTSK-GFCCVEGCSA-N 205.301 2.634 0 50 BFAA CCc1ccccc1I 2168468 ZEJZDNMOGNUIHL-UHFFFAOYSA-N 232.064 2.854 0 50 BFAA in-vitro COc1ccc([C@H](CN)c2ccccc2)cc1 2576600 RZIUXULLPNOGIY-OAHLLOKOSA-N 227.307 2.786 0 50 BFAA Nc1cc(-c2ccc3ccccc3c2)[nH]n1 4234612 IEWCDCBGMJMROZ-UHFFFAOYSA-N 209.252 2.812 0 50 BFAA in-vitro O=C(CC12CC3CC(CC(C3)C1)C2)NC1CC1 4651049 GOVGTFYCTNYIGB-UHFFFAOYSA-N 233.355 2.872 0 50 BFAA C[C@H]1CN=C(NCc2ccccc2Cl)S1 4843290 MOAMXBNMZAYBBS-QMMMGPOBSA-N 240.759 2.921 0 50 BFAA C=CC(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C 4975273 PSGCQDPCAWOCSH-BREBYQMCSA-N 208.301 2.930 0 50 BFAA Cc1ccc(-c2nnc(S)n2C2CC2)cc1 11692612 FJLYADLOMRODGC-UHFFFAOYSA-N 231.324 2.877 0 50 BFAA CC(=O)OC[C@]12CC=C(C)[C@H]([C@@H]1C)[C@@H](C)OC2 13424796 KSCMOJQRHWGLDT-OIMNJJJWSA-N 238.327 2.557 0 50 BFAA biogenic C[C@@H](NCC(F)(F)F)c1ccccc1 19512291 OSMHFAPZPMZUSZ-MRVPVSSYSA-N 203.207 2.900 0 50 BFAA CCCOc1cc2c(cc1C=O)O[C@H](C)C2 20283917 KVKAGKNBCAFUSQ-SECBINFHSA-N 220.268 2.611 0 50 BFAA in-vitro Cc1nc(C(=O)Nc2c(F)cccc2F)co1 22538167 UPTISXMTCALVNB-UHFFFAOYSA-N 238.193 2.514 0 50 BFAA NC1(c2nc(-c3ccsc3)no2)CCCCC1 41032824 CPCKJSQTVIGITL-UHFFFAOYSA-N 249.339 2.916 0 50 BFAA Cc1nc2nccc(-c3ccccc3Cl)n2n1 57530923 CYJVKECISYDKEB-UHFFFAOYSA-N 244.685 2.753 0 50 BFAA Cc1c(F)cc(C=O)cc1Br 72187454 UOZMORAUZYBPSG-UHFFFAOYSA-N 217.037 2.709 0 50 BFAA in-vitro c1ccc(OCCCOc2cccnc2)cc1 96027756 NIZPLNDIEUXCRP-UHFFFAOYSA-N 229.279 2.930 0 50 BFAA CN(C(=O)C1=CCCC1)c1ccc(F)cc1 124905849 WDCUXJRFFBFESU-UHFFFAOYSA-N 219.259 2.899 0 50 BFAA O=C(Nc1ccc(F)nc1)N1CCC2(CCC2)C1 125758075 YDXGTAGGGPQMKJ-UHFFFAOYSA-N 249.289 2.629 0 50 BFAA Cc1[nH]ccc1C(=O)N(C)[C@H](C)c1ccncc1 175907431 KSYROJCONZYXQH-LLVKDONJSA-N 243.310 2.551 0 50 BFAA C1=C[C@@H](N2CCC([C@H]3CCCO3)CC2)CCC1 189122143 RJDRYZATHAGQTB-HUUCEWRRSA-N 235.371 2.986 0 50 BFAA COc1ccc2c(c1)[C@H]1[C@H]3[C@@H]2[C@H]2C=C[C@H]2[C@@H]13 247952952 MSMIFVCPETXJCQ-MTIYOPRHSA-N 210.276 2.938 0 50 BFAA Cc1c(C=O)ccc(Br)c1F 307528589 KKDMXMSWDKABEZ-UHFFFAOYSA-N 217.037 2.709 0 50 BFAA C[C@H](N)c1cc2cccc(Cl)c2c(O)n1 690696452 DBMRZUYQNJBNMD-LURJTMIESA-N 222.675 2.614 0 50 BFAA C[C@@H](C(=O)N(C)c1ccccc1)n1cccc1 952963890 LMFCMXADKLKEOH-LBPRGKRZSA-N 228.295 2.712 0 50 BFAA O=C(O)[C@]1(c2ccccc2)C[C@@H]1C(F)(F)F 1772716129 RAVYEAGUSRNANS-WPRPVWTQSA-N 230.185 2.591 0 50 BFAA c1ccc(-c2nnc(-c3cccnc3)o2)cc1 177530 DLFKLZJZRSRZPP-UHFFFAOYSA-N 223.235 2.799 0 50 BFAA Nc1nc2c(s1)C[C@H](c1ccccc1)CC2 276192 ULKFNJBNISYXTB-SNVBAGLBSA-N 230.336 2.998 0 50 BFAA aggregator,in-vitro Cc1c(O)c(C(F)(F)F)nn1-c1ccccc1 336483 YOHTWWBAMZHHLC-UHFFFAOYSA-N 242.200 2.905 0 50 BFAA Cc1cc(C)[n+](-c2ccccc2C(=O)O)c(C)c1 336854 VFKLFDFKIGUUCT-UHFFFAOYSA-O 242.298 2.587 0 50 BFAA O=C1N[C@H](c2ccc(F)cc2)Oc2ccccc21 360620 ASXUYEWEUQLTDG-AWEZNQCLSA-N 243.237 2.647 0 50 BFAA O=C(Nc1ccccc1)OCc1ccccn1 390353 RTPXTRLJPDQQID-UHFFFAOYSA-N 228.251 2.830 0 50 BFAA Cc1ccc(Br)c(N(C)C)c1 400008 QRPSRXIDVBOPCC-UHFFFAOYSA-N 214.106 2.824 0 50 BFAA Cc1ccc(Nc2cc(Cl)nc(N)n2)cc1 1675993 KAUBSLPJWJEOKU-UHFFFAOYSA-N 234.690 2.764 0 50 BFAA CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@@H]2C(=O)C(F)(F)F 2242742 ISLOIHOAZDSEAJ-AMXGMDGSSA-N 248.244 2.759 0 50 BFAA COc1ccc(CCC(=O)NCCC(C)C)cc1 2754065 ZPPIOBMQGSYRJY-UHFFFAOYSA-N 249.354 2.790 0 50 BFAA CCC[C@@H]1C[C@H](c2csc(N)n2)CCO1 4005628 SIINGJBLYGBGDL-RKDXNWHRSA-N 226.345 2.788 0 50 BFAA O=C(O)/C=C(\Cl)C(Cl)(Cl)Cl 4827904 FNCZSFIKXGUZMW-UPHRSURJSA-N 223.870 2.564 0 50 BFAA O=C(O)[C@H]1CCCc2c1[nH]c1ccccc21 6658037 QFLIXPBSNSYURJ-JTQLQIEISA-N 215.252 2.672 0 50 BFAA in-vitro CCc1ccc(C(=O)NC2CCCC2)cc1 8383023 CMOAQQQAAXXXDG-UHFFFAOYSA-N 217.312 2.921 0 50 BFAA [O-][n+]1cccc(Oc2ccccc2Cl)c1 60238684 WWWJDCQANDPHSB-UHFFFAOYSA-N 221.643 2.766 0 50 BFAA OCc1cc(C(F)(F)F)c2cc(F)ccc2n1 66322685 GTOXFQDLERZVOY-UHFFFAOYSA-N 245.175 2.885 0 50 BFAA COc1ccc(-c2nc3ccccc3o2)cn1 67447072 NVTJGZVUXUXVHB-UHFFFAOYSA-N 226.235 2.898 0 50 BFAA O[C@H]1O[C@H](c2ccccc2)c2ccccc21 71773900 XAXUZULEMMAVME-KGLIPLIRSA-N 212.248 2.797 0 50 BFAA O=C1Nc2ccccc2/C1=C\c1cc[cH-]c1 100765429 HUQXQEHJCBFGJX-FMIVXFBMSA-N 208.240 2.898 0 50 BFAA in-vitro C[C@]1(c2ccc(Br)cc2F)CO1 132245679 UGYYDBPQIHIIGY-SECBINFHSA-N 231.064 2.834 0 50 BFAA Cc1cc(F)ccc1OCc1noc(C2CC2)n1 162058945 FDNFHRSSPZUSKL-UHFFFAOYSA-N 248.257 2.974 0 50 BFAA CO[C@H](C)C(=O)Nc1cc2ccccc2nc1C 241132938 JNIKNTBNDMPTIM-SNVBAGLBSA-N 244.294 2.517 0 50 BFAA O=Cc1ccc(F)c(-c2ccc(C(=O)O)o2)c1 725261141 PKJDDEYGRSSWFG-UHFFFAOYSA-N 234.182 2.596 0 50 BFAA CCS[C@@H](C)c1nc(O)cc(CC)n1 1776003614 ASOWGFISJOJXDC-ZETCQYMHSA-N 212.318 2.559 0 50 BFAA NCc1csc(C(F)(F)C(F)(F)F)c1 1857782125 PRHPMGRDVPDETN-UHFFFAOYSA-N 231.189 2.861 0 50 BFAA O=C(OCC1CC1)c1ccc2cc(F)ccc2n1 1875322847 KITWWNNTJXCMMS-UHFFFAOYSA-N 245.253 2.941 0 50 BFAA Clc1ccccc1CSC1=NCCCN1 144272 QUXSDLNWPOPWJB-UHFFFAOYSA-N 240.759 2.923 0 50 BFAA CSc1nnc(-c2ccc(C)cc2)o1 272919 QSCOVGMVQFLCGD-UHFFFAOYSA-N 206.270 2.767 0 50 BFAA O=C(c1ccccc1)[C@H]1CCCC[C@H]1C(=O)O 1671541 FLPQLUGZLPSVOG-NWDGAFQWSA-N 232.279 2.760 0 50 BFAA COc1ccc([C@@H](O)CCN2CCCCC2)cc1 1728946 FAEOLPBCSZHPCJ-HNNXBMFYSA-N 249.354 2.605 0 50 BFAA O=Cc1cnc(-c2cccc(F)c2)s1 4204435 DVWKNTOIBIVPPA-UHFFFAOYSA-N 207.229 2.762 0 50 BFAA in-vitro CC[C@H](Cc1ccccc1)NC(=O)C1CC1 4827722 DLVJHAKSMWJQLV-CYBMUJFWSA-N 217.312 2.534 0 50 BFAA CCNCc1cc(Br)ccc1OC 5004973 IKSYUECZSGSKMD-UHFFFAOYSA-N 244.132 2.567 0 50 BFAA Cc1cc(C)cc(OCC(=O)NC2CCCC2)c1 14398503 AUZZCBNLLZHEAL-UHFFFAOYSA-N 247.338 2.741 0 50 BFAA CC[C@@H](C)N1CCN(C[C@H]2CC=CCC2)CC1 19790191 YVMFYUQRJHTFPJ-CABCVRRESA-N 236.403 2.759 0 50 BFAA Brc1cccnc1N1CCCCC1 19801037 MRNXRQJABSSMNF-UHFFFAOYSA-N 241.132 2.834 0 50 BFAA in-vitro Fc1ccc(Br)cc1S 36533004 SHSYFORYQKPNSF-UHFFFAOYSA-N 207.067 2.877 0 50 BFAA O=C(Nc1ccnn1C1CCCC1)c1ccc[nH]1 61206113 WTPBPLKVSOFDLY-UHFFFAOYSA-N 244.298 2.579 0 50 BFAA Cc1cc(-c2ccccc2C(=O)O)sn1 83010656 JTIXFJGVTBRJIA-UHFFFAOYSA-N 219.265 2.817 0 50 BFAA CCNC(C)(C)C(=O)c1ccccc1Cl 96027191 KPJNSHWXNVAFMW-UHFFFAOYSA-N 225.719 2.911 0 50 BFAA CCCN(c1ccc(C(C)=O)cn1)C1CC1 124667246 DQZCEILJOHEEHD-UHFFFAOYSA-N 218.300 2.663 0 50 BFAA COCCCSCc1nc(C)cs1 195571494 XNZMDVBYDXIRRS-UHFFFAOYSA-N 217.359 2.721 0 50 BFAA CO[C@@H]1C(Br)=C[C@H]2[C@@H]1[C@H]1C=C[C@H]2C1 216525159 KGGLAJNQSFOHCY-DKBIXQPYSA-N 241.128 2.732 0 50 BFAA CCOCCn1c(=N)sc2cc(C)ccc21 225394004 BMVPOZCOURTWAA-UHFFFAOYSA-N 236.340 2.527 0 50 BFAA O=C(O)[C@H]1CC[C@H](C(=O)Nc2ccccc2)CC1 262713890 MPQWRLZZJNFEEP-XYPYZODXSA-N 247.294 2.516 0 50 BFAA CCNC(=O)N1CCC[C@H]1/C=C/c1ccccc1 378605645 KFJXLAHRYWPCTM-VNDWYCCKSA-N 244.338 2.894 0 50 BFAA c1c[nH]c(CN2CC[C@H](C3CCCCC3)C2)n1 661578899 SPIHNLXCUPRIJU-ZDUSSCGKSA-N 233.359 2.812 0 50 BFAA CC(C)N(CC[C@@H]1CCCC1(F)F)CC(=O)O 883407608 ZYSSGAASPMAQJM-JTQLQIEISA-N 249.301 2.607 0 50 BFAA C[C@@H](NCc1noc2c1CCCC2)[C@H]1CC12CC2 888095955 GCRYPHDULVCZKE-ZYHUDNBSSA-N 246.354 2.832 0 50 BFAA c1cn(C2CCC2)c(-c2cncs2)n1 1875251515 QNDBAPKFIVATCI-UHFFFAOYSA-N 205.286 2.732 0 50 BFAA CC[n+]1c(SC)ccc2cc(OC)ccc21 78040 KTGOYAHLNCMDFD-UHFFFAOYSA-N 234.344 2.878 0 50 BFAA COC(=O)c1ccc(Cl)cc1Cl 166450 VCRWILYAWSRHBN-UHFFFAOYSA-N 205.040 2.780 0 50 BFAA in-vitro COc1cccc2c3c(c(C)nc12)C[C@@H](C)O3 245184 MZPYLXKRBJRNSK-MRVPVSSYSA-N 229.279 2.875 0 50 BFAA biogenic C[C@H](CCc1ccccc1)NC(=O)C1CC1 375599 PFQYHRVJCPCDJG-LLVKDONJSA-N 217.312 2.534 0 50 BFAA Cc1occc1C(=O)Nc1ccccc1F 442312 HZAIMMBNVULHML-UHFFFAOYSA-N 219.215 2.979 0 50 BFAA c1ccc2c(-c3ccnc4ncnn34)cccc2c1 480021 LEGVYSJWBCNVRE-UHFFFAOYSA-N 246.273 2.945 0 50 BFAA C/C=C\c1ccc(OC(C)=O)c(OC)c1 12418177 IUSBVFZKQJGVEP-PLNGDYQASA-N 206.241 2.654 0 50 BFAA endogenous,in-man C[C@@H](CCc1ccccc1)N(C)CCN(C)C 19637107 LBOUCKJBXDTEHN-AWEZNQCLSA-N 234.387 2.501 0 50 BFAA C[C@H](CO)C[C@@H](C)C(=O)N[C@H](C)c1ccccc1 43763344 TXYKIWVDOYTMFS-YNEHKIRRSA-N 249.354 2.518 0 50 BFAA CC(C)Oc1ccc(-c2ccncn2)cc1 67727306 SCXVXKCQVWOOGE-UHFFFAOYSA-N 214.268 2.931 0 50 BFAA Cc1ccc(C(=O)NC2CC2)c(Cl)c1 71376450 CPVVVGXZHMVFKS-UHFFFAOYSA-N 209.676 2.541 0 50 BFAA CC[C@H](c1ccccc1)N1CC[C@H](C(=O)O)C1 86789846 IABIVNTXVLRPMJ-QWHCGFSZSA-N 233.311 2.544 0 50 BFAA CC(C)c1cc(O)n(-c2ccc(F)cc2)n1 100072269 DCWKYBDYXMCGOF-UHFFFAOYSA-N 220.247 2.840 0 50 BFAA CC(C)(C)[C@]12C=C[C@]1(C(C)(C)C)[C@](C)(O)C2=O 104097436 PGVKVVAMESVVFG-KFWWJZLASA-N 236.355 2.955 0 50 BFAA CCc1[nH]nc(NC(=O)Nc2ccccc2)c1C 109846044 MQXWCZZFMLPVCC-UHFFFAOYSA-N 244.298 2.925 0 50 BFAA Cc1cccc([S@@](=O)C(F)(F)F)c1 169112857 MJYMQSHSFHXPIP-ZDUSSCGKSA-N 208.204 2.622 0 50 BFAA CCc1ccc(CN(C)Cc2cscn2)nc1 216176784 QWUSTFSUELLOMY-UHFFFAOYSA-N 247.367 2.733 0 50 BFAA O=C(NCC1CC1)c1cc(O)c2ccccc2c1 225401027 TVTZHYZEFLHARB-UHFFFAOYSA-N 241.290 2.685 0 50 BFAA CN(C[C@H](O)c1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2 299872841 QPJACXYEMOQCLG-HNKHHVNMSA-N 245.366 2.840 0 50 BFAA Cc1ccn(Cc2nc([C@@H](C)C3(C)CC3)no2)n1 1616034422 FOSMTBASZMBWNT-SNVBAGLBSA-N 246.314 2.526 0 50 BFAA O=C(CCc1cccc(F)c1)N[C@@H]1C=CCC1 1857703446 PYHJYDSOFRINBO-CYBMUJFWSA-N 233.286 2.593 0 50 BFAA CC(=O)Nc1ncc(Cc2ccccc2)s1 134237 KZYPHGNBSVPDHA-UHFFFAOYSA-N 232.308 2.692 0 50 BFAA O[C@]12CCCC[C@H]1[C@H](c1ccccc1)NCC2 273304 NRCWMRBKHVZROJ-KKUMJFAQSA-N 231.339 2.642 0 50 BFAA biogenic Cc1nc(-c2ccc(C=O)cc2)cs1 337616 KZEOQFIBKXJGEX-UHFFFAOYSA-N 203.266 2.931 0 50 BFAA Nc1ccc(Cl)cc1Br 404060 SYTBIFURTZACKR-UHFFFAOYSA-N 206.470 2.685 0 50 BFAA in-vitro Cc1ccc(/C=C/C(=O)NCc2ccco2)o1 441761 NYXGPFVVKMAXNO-VOTSOKGWSA-N 231.251 2.511 0 50 BFAA CCc1sc(C(=O)O)cc1Br 2557839 IRDAEUDNKBRCAE-UHFFFAOYSA-N 235.102 2.771 0 50 BFAA COC(=O)c1cccc(-c2csc(C)n2)c1 4200651 MLILPQRJIOVKFH-UHFFFAOYSA-N 233.292 2.905 0 50 BFAA CCOC(=O)c1cc2cc(C(C)=O)ccc2[nH]1 5461431 VZMCGCQUHGLKMY-UHFFFAOYSA-N 231.251 2.547 0 50 BFAA COc1ccc(NC(=O)C(C)C)cc1Cl 5643127 XPKQAAYDCBIBGS-UHFFFAOYSA-N 227.691 2.943 0 50 BFAA CCC[C@H](O)c1ccc(OC)c(OC)c1 5785415 CKASWWHFEGBUKB-JTQLQIEISA-N 210.273 2.537 0 50 BFAA in-vitro CCCn1c(S)nnc1Cc1ccccc1 5904326 CNJOWVZJYWWTND-UHFFFAOYSA-N 233.340 2.568 0 50 BFAA CCCCNC(=O)[C@@H](C)Oc1ccc(C)cc1 8499275 PHBJIDOHYFLXOL-GFCCVEGCSA-N 235.327 2.679 0 50 BFAA Cc1cccc2c(C(F)(F)F)cc(=O)[nH]c12 12955489 AUVTXZZBDKDPFI-UHFFFAOYSA-N 227.185 2.855 0 50 BFAA Cc1nc(C(C)C)cc(N(C)Cc2ccon2)n1 65380596 KCXVSPKUUUSQFB-UHFFFAOYSA-N 246.314 2.533 0 50 BFAA Cc1cccc(O[C@@]23CCCN(CC2)C3)c1C 67588448 WEWKSZNMSOZWDW-HNNXBMFYSA-N 231.339 2.921 0 50 BFAA N#Cc1ccc(-c2cc[nH]n2)cc1Cl 117183748 BCINLNFBTLIGBU-UHFFFAOYSA-N 203.632 2.602 0 50 BFAA in-vitro C=C(C)C(=O)O[C@@H]1CCc2ccccc21 118258256 FBIWDHSGTFRIAF-GFCCVEGCSA-N 202.253 2.793 0 50 BFAA Cc1cnc(NC(=O)C[C@@H]2CCC[C@H](C)C2)[nH]1 131152053 FWBHCUGGVHXGTP-GXSJLCMTSA-N 235.331 2.873 0 50 BFAA C[C@H]1CCCN([C@H](C)c2nc(C3CC3)no2)C1 225235588 CGMAYWKBUIMRMM-VHSXEESVSA-N 235.331 2.740 0 50 BFAA C[C@H]1CCCCN1C(=O)c1c[nH]c2cccnc12 336406478 VCLZWNWEHGUNPF-JTQLQIEISA-N 243.310 2.578 0 50 BFAA Cc1n[nH]cc1-c1cc(CN(C)C)ccc1F 665195537 GWQMCKDFQSGMEP-UHFFFAOYSA-N 233.290 2.586 0 50 BFAA Cc1cc(/C=C/Br)cnc1F 685964350 BNARJTMSWPFFMP-NSCUHMNNSA-N 216.053 2.895 0 50 BFAA CC(=O)N[C@H]1CCc2cccc3cccc1c23 895391040 ZXUBCUFDDPOFQN-AWEZNQCLSA-N 225.291 2.963 0 50 BFAA O=c1onc(-c2ccccc2)c2ccccc12 144008 FUSZISDRVACNBS-UHFFFAOYSA-N 223.231 2.855 0 50 BFAA C[C@H](CN(C)C1CCN(C)CC1)c1ccccc1 278096 YEARZNGDLMHQCC-CQSZACIVSA-N 246.398 2.816 0 50 BFAA Cc1ccc(CC(=O)N2CCCC[C@@H]2C)cc1 464769 WLSUWIQOWFLZHE-ZDUSSCGKSA-N 231.339 2.939 0 50 BFAA CCCCOc1cc(C(=O)O)ccc1OC 2570488 MVXLURPNIOZKDD-UHFFFAOYSA-N 224.256 2.572 0 50 BFAA in-vitro CCOC(=O)CC(=O)c1cccc2ccccc12 2575933 JFWSFANXHXCJOY-UHFFFAOYSA-N 242.274 2.976 0 50 BFAA CCOC(=O)c1sc(-c2ccncc2)nc1C 4299244 JPZUWDDVYNEJHB-UHFFFAOYSA-N 248.307 2.690 0 50 BFAA c1coc(CSCc2cnccn2)c1 6093506 RVAGIRWUMWXFKJ-UHFFFAOYSA-N 206.270 2.503 0 50 BFAA CCCCS(=O)(=O)Nc1cc(C)cc(C)c1 6706523 MPZSGAGJXVFOLV-UHFFFAOYSA-N 241.356 2.845 0 50 BFAA Cc1c(Cl)ccc2cc(C(=O)O)cnc12 32099620 ZXPHIRMIGFRUSX-UHFFFAOYSA-N 221.643 2.895 0 50 BFAA in-vitro COCOc1cc(F)ccc1Br 34506614 BYINJCPFBLKYCH-UHFFFAOYSA-N 235.052 2.571 0 50 BFAA in-vitro Cc1nc(Br)ccc1Cl 38541004 PSZRCSVBLJMQLL-UHFFFAOYSA-N 206.470 2.806 0 50 BFAA in-vitro CC(C)(C)CC(C)(C)NC[C@H]1CCCO1 44124475 JNLKMTJCLDYIKZ-LLVKDONJSA-N 213.365 2.970 0 50 BFAA COc1cccc(-c2cnn3cccnc23)c1F 67885328 BGDSHHRIKIBSQM-UHFFFAOYSA-N 243.241 2.544 0 50 BFAA CCC(=O)N[C@@H](CC)c1ccccc1C 72117634 XDQNLHZZDOVRCZ-LBPRGKRZSA-N 205.301 2.972 0 50 BFAA Cc1cc(F)c(O)cc1Br 79019677 REASDODZSVTATN-UHFFFAOYSA-N 205.026 2.602 0 50 BFAA in-vitro CCc1ccc(-c2nc([C@@H]3CCOC3)no2)cc1 96147778 DYRNRNNDOUQNNQ-GFCCVEGCSA-N 244.294 2.803 0 50 BFAA C[C@H](CNC(C)(C)CCO)c1ccccc1 125620138 DIYVSHVRZWLQJA-GFCCVEGCSA-N 221.344 2.541 0 50 BFAA Cc1cccc(F)c1NC(=O)C(F)(F)F 135242275 PZEVXBMFIFGSTP-UHFFFAOYSA-N 221.153 2.635 0 50 BFAA FC1(F)CN(c2cccnc2C(F)(F)F)C1 169725736 DQRQFQHDTDFAPG-UHFFFAOYSA-N 238.159 2.556 0 50 BFAA CSc1ccc(Br)cc1CCN 217788938 LVUXFJJXVMITPR-UHFFFAOYSA-N 246.173 2.672 0 50 BFAA c1ccc2c(c1)[C@@H]1CC[C@@H]2N(c2cnccn2)C1 225779253 FXBHIWDRMIJLAL-RISCZKNCSA-N 237.306 2.915 0 50 BFAA C=CC(=O)N1CCC(F)(c2ccccc2)CC1 863971316 OPWNTCYAQPAOAE-UHFFFAOYSA-N 233.286 2.660 0 50 BFAA C=CC(=O)N1C[C@H](c2ccsc2)C[C@H]1C 952834758 LECGJEFCAQCBFY-MWLCHTKSSA-N 221.325 2.639 0 50 BFAA Cc1oc(SC(F)(F)F)cc1C(=O)O 1857779308 CYRZEJQKTJSPIZ-UHFFFAOYSA-N 226.175 2.898 0 50 BFAA FC1(F)C[C@@H]1Cn1ccnc1-c1cncs1 1875247540 JJPXCWCALUAKQW-SSDOTTSWSA-N 241.266 2.662 0 50 BFAA CC(C)(C)COc1ncccc1-c1cncnc1 1875313938 YUZUYUDMOPZAQX-UHFFFAOYSA-N 243.310 2.964 0 50 BFAA Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 89270 FBIPRWDBYYCKHA-UHFFFAOYSA-N 235.356 2.588 0 50 BFAA in-vitro CC(=O)Nc1ccccc1C(F)(F)F 126903 OXDTZGRSCDEKGO-UHFFFAOYSA-N 203.163 2.664 0 50 BFAA Cn1cc(C(=O)c2cccc(Cl)c2)cc1C=O 153369 HGYPWKCEDGGCLD-UHFFFAOYSA-N 247.681 2.722 0 50 BFAA Oc1cccc(CCc2cccc(O)c2)c1 392763 VCFHBYUCPLPFMM-UHFFFAOYSA-N 214.264 2.883 0 50 BFAA biogenic CCNC(=O)Nc1ccc(Br)cc1 396416 GUNDEIBZUWFUQA-UHFFFAOYSA-N 243.104 2.591 0 50 BFAA Cc1ccc(Cl)cc1NC(=O)C1CC1 401520 CUNDAFZYQNFSDS-UHFFFAOYSA-N 209.676 2.997 0 50 BFAA Cc1ccnc(-c2nc3ccccc3[nH]2)c1 1269718 MGBRKEZZOSQHQO-UHFFFAOYSA-N 209.252 2.933 0 50 BFAA Cc1ccc(C)c(I)c1 1672848 WYZVNUSNUCABRF-UHFFFAOYSA-N 232.064 2.908 0 50 BFAA CCCCC[P@@](=O)(O)c1ccccc1 2493450 YYCWLINCFDWNSW-UHFFFAOYSA-N 212.229 2.773 0 50 BFAA COc1c(F)cccc1Br 2541530 RLSQPLJXDTXSCL-UHFFFAOYSA-N 205.026 2.597 0 50 BFAA Cc1c(C(=O)O)[nH]c2ccc(Cl)cc12 2559709 LSDWHXDEMCMQHP-UHFFFAOYSA-N 209.632 2.828 0 50 BFAA in-vitro COc1cccc([C@@H](O)c2ccc(F)cc2)c1 4255930 PHFPJJBUBMSEKR-AWEZNQCLSA-N 232.254 2.916 0 50 BFAA C[C@H](Oc1ccccc1)c1n[nH]c(=S)n1C 5912058 OBQMSUPVWZLDOP-QMMMGPOBSA-N 235.312 2.618 0 50 BFAA in-vitro CCC(CC)NC(=O)Cc1ccc(C)cc1 6309486 WDHLCFQSRYWBSQ-UHFFFAOYSA-N 219.328 2.842 0 50 BFAA O=[S@](CCc1ccncc1)Cc1ccccc1 6499302 FVTOBLYXUBUPJA-KRWDZBQOSA-N 245.347 2.573 0 50 BFAA Cc1ccc(N)cc1NC(=O)C1CCCC1 8703463 BFFNAMWQYJGZFB-UHFFFAOYSA-N 218.300 2.706 0 50 BFAA in-vitro CCOCc1nc(C2(c3ccccc3)CC2)no1 19143667 DLXSOBVTLIWAAZ-UHFFFAOYSA-N 244.294 2.686 0 50 BFAA Cc1n[nH]c(C)c1CCN(C)C[C@H]1CC12CCC2 19229399 ISAGTUOHEXNFKY-CYBMUJFWSA-N 247.386 2.691 0 50 BFAA CC(C)(C)C(=O)Nc1ccc(C=O)nc1Cl 35270458 LZRCTDNVNSXRKD-UHFFFAOYSA-N 240.690 2.532 0 50 BFAA in-vitro Nc1ccc(OC(F)(F)F)c2ncccc12 38537194 KIXOFTNLLDXSQN-UHFFFAOYSA-N 228.173 2.716 0 50 BFAA CC(C)Oc1cccc(C(=O)[C@@H]2CCCNC2)c1 67934505 JFAQFNGBSAIJEM-CYBMUJFWSA-N 247.338 2.656 0 50 BFAA Cc1cc(C)n(C[C@@H](C)NCc2ccsc2)n1 69749235 NBFGFBYDDMFQCP-LLVKDONJSA-N 249.383 2.740 0 50 BFAA CCN(CC)C[C@H](OC)c1ccccc1 71773031 JYWHUKMCKNVATM-ZDUSSCGKSA-N 207.317 2.716 0 50 BFAA Cc1nc(C)c([C@H]2CCCN2)c(C)c1C 86032741 ILPHEAGTASKCGH-GFCCVEGCSA-N 204.317 2.740 0 50 BFAA CN(C)[C@@H]1COc2c(Cl)cc(Cl)cc2C1 96027477 JSXDODZDRXZJTN-VIFPVBQESA-N 246.137 2.859 0 50 BFAA CC(C)Cn1cc(NC(=O)[C@@H]2CC2(C)C)cn1 157761063 POHOKDHLFFXVAJ-NSHDSACASA-N 235.331 2.524 0 50 BFAA Cc1csc(CCc2nc(CC3CC3)no2)n1 349977060 XTJZUHBQYVMORC-UHFFFAOYSA-N 249.339 2.572 0 50 BFAA C[C@@H]1CCN(c2ncnc3[nH]ccc23)CC1(C)C 353283360 UJOLVRWLOSNAFQ-SNVBAGLBSA-N 244.342 2.830 0 50 BFAA Cc1cccc(-c2c(C)nn(C)c2C(=O)O)c1F 534643601 NMHQQPQPWFNXAE-UHFFFAOYSA-N 248.257 2.541 0 50 BFAA O=C(Nc1cccnc1F)N1C[C@@H]2CCCC[C@@H]21 823863298 NRIMDSKITIUKFD-ONGXEEELSA-N 249.289 2.627 0 50 BFAA COc1nccnc1-c1cc(F)cc(Cl)c1 824853276 LJWAAWYTAXGZDT-UHFFFAOYSA-N 238.649 2.945 0 50 BFAA C=CC(=O)Nc1nc2c(s1)CCCCCC2 1775996490 YAVMVAPAWBVGCX-UHFFFAOYSA-N 236.340 2.927 0 50 BFAA C[C@H](CN1CCCCC1)C(=O)c1ccccc1 227184 SOYVHSZVPQHVOP-CYBMUJFWSA-N 231.339 2.991 0 50 BFAA C[C@@H](N)Cc1cccc(C(F)(F)F)c1 2039145 MLBHFBKZUPLWBD-SSDOTTSWSA-N 203.207 2.595 0 50 BFAA biogenic,in-vitro CCOC(OCC)c1cccc(C=O)c1 2563929 ZNUTVQHYWZPSSR-UHFFFAOYSA-N 208.257 2.571 0 50 BFAA O=C1CCCC[C@@H]1CNc1ccccc1 5331840 OFNHBCJJEJFKDQ-LLVKDONJSA-N 203.285 2.858 0 50 BFAA COc1ccc2c(OC)c3ccoc3nc2c1 13209559 TWGHMXOYRUTQOL-UHFFFAOYSA-N 229.235 2.998 0 50 BFAA biogenic,in-vitro CCC(C)(C)NC(=O)COc1ccc(C)cc1 42138004 VVHONLVZDIVEIK-UHFFFAOYSA-N 235.327 2.679 0 50 BFAA COC(=O)c1cc(Cl)c(C=O)c(Cl)c1 203233127 PZMMESDUAFUZSK-UHFFFAOYSA-N 233.050 2.593 0 50 BFAA in-vitro CN(C)c1cccnc1NCc1ccccc1 225616450 WCVZSYVBOVESMB-UHFFFAOYSA-N 227.311 2.760 0 50 BFAA Cc1noc(NC(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)c1C 333597816 UPBJDAIANXNQGG-OUAUKWLOSA-N 234.299 2.666 0 50 BFAA C=CC(=O)NC[C@H]1C[C@]12CCCc1ccccc12 888102153 IWRZTNVTIBVOAG-CZUORRHYSA-N 241.334 2.583 0 50 BFAA Cc1ccc(CSc2nnc(N)s2)cc1 65189 XWCZGGYKJAEKML-UHFFFAOYSA-N 237.353 2.721 0 50 BFAA CC[C@H](C)Nc1ncnc2ccccc12 132653 DFOKBVJVIWIVLK-VIFPVBQESA-N 201.273 2.840 0 50 BFAA C[C@H]1CC[C@@H](NCc2ccc3c(c2)OCO3)C1 214016 XIPYONXASDNYLO-CMPLNLGQSA-N 233.311 2.694 0 50 BFAA CNC(=S)Nc1cccc(C(F)(F)F)c1 365961 ICRGGQAUGWSVOX-UHFFFAOYSA-N 234.246 2.622 0 50 BFAA CC(C)(C)C(=O)N1C(=O)OC[C@@H]1c1ccccc1 407529 RCYGSFKQQKHMBE-LLVKDONJSA-N 247.294 2.753 0 50 BFAA biogenic O=C(CCc1ccccc1)Nc1ccccn1 432058 KQDIISKPSSJLBO-UHFFFAOYSA-N 226.279 2.653 0 50 BFAA Nc1scc2c1c(=O)oc1ccccc12 479988 FMRIMMNCSVUDBC-UHFFFAOYSA-N 217.249 2.590 0 50 BFAA biogenic,in-vitro CC(=O)c1ccc(Br)cc1F 2524871 ASKFCSCYGAFWAB-UHFFFAOYSA-N 217.037 2.791 0 50 BFAA in-vitro CC(=O)NCCC12CC3CC(CC(C3)C1)C2 4833937 HXAYZRXULAPTTH-UHFFFAOYSA-N 221.344 2.729 0 50 BFAA COc1cc(NCC(C)C)cc(OC)c1 19909423 JIQDQNWLSWFJSQ-UHFFFAOYSA-N 209.289 2.772 0 50 BFAA CC(C)CNc1c(N)cnc2ccccc12 21989592 JFMKIQOIIMSWIM-UHFFFAOYSA-N 215.300 2.885 0 50 BFAA CC1=CC[C@@H](S(=O)(=O)c2ccccc2)CC1 39247179 RXNYIRYFWXQRBR-CYBMUJFWSA-N 236.336 2.959 0 50 BFAA COc1cc(Cl)c(Br)cn1 51951658 KTPLBYFKHPABLJ-UHFFFAOYSA-N 222.469 2.506 0 50 BFAA in-vitro Clc1cccc2ncc(Br)n12 51971039 KZGXYGNQLQBWSQ-UHFFFAOYSA-N 231.480 2.750 0 50 BFAA in-vitro O=C(O)c1ccc(-c2ccc(F)cc2O)c(O)c1 65350194 NTWLLIMQLCBEPS-UHFFFAOYSA-N 248.209 2.602 0 50 BFAA in-vitro CC(C)(C)OC(=O)CCc1ccc(O)cc1 116598092 WEHDCBONCFYXKK-UHFFFAOYSA-N 222.284 2.667 0 50 BFAA O[C@H](c1ccccc1)c1nccn1CC1CCC1 154869726 JMBARQBTTHCMKN-CQSZACIVSA-N 242.322 2.765 0 50 BFAA C1=C[C@H]2C[C@H]1C[C@@H]2CNc1ccccn1 157432620 RQLMWNKEFGYQOY-SDDRHHMPSA-N 200.285 2.706 0 50 BFAA Cc1cccc([C@@H](C)NCC[C@@H](C)O)c1C 167741396 YLPIFFMXZYEFAI-DGCLKSJQSA-N 221.344 2.725 0 50 BFAA CCS[C@H]1CCCC[C@@H]1NCc1ccon1 189513262 XDDSSJLNAQVRIT-RYUDHWBXSA-N 240.372 2.829 0 50 BFAA COCCOc1ccc2nc(Cl)ccc2c1 585672088 UHIHLUNRWYWTQA-UHFFFAOYSA-N 237.686 2.913 0 50 BFAA CCC[C@H]1CCC(=O)C[C@H]1N1CCCC1 725358733 BKHHVFCBEGRXQA-WCQYABFASA-N 209.333 2.620 0 50 BFAA O=C(Nc1ccc(Cl)nc1)[C@H]1C[C@@H]1C(F)F 800829472 WRTZVRVJYFKBDH-BQBZGAKWSA-N 246.644 2.575 0 50 BFAA Cc1cnn(CC(C)C)c1NC(=O)[C@@H]1CC12CC2 1529161428 IZFFBXOXBRCZOD-NSHDSACASA-N 247.342 2.586 0 50 BFAA C=CC(=O)NCCC1=CC[C@H]2C[C@@H]1C2(C)C 1775998499 XZKWRXXFGXXSHT-RYUDHWBXSA-N 219.328 2.671 0 50 BFAA Cc1cccc2nc(NC(=O)CC3CC3)[nH]c12 2325786882 SBVWZRXOPIQKDE-UHFFFAOYSA-N 229.283 2.610 0 50 BFAA CN(C)c1ncnc2sc3c(c12)CCCC3 406381 QMTYZDOKFYNPJL-UHFFFAOYSA-N 233.340 2.636 0 50 BFAA O=C(Nc1ccccc1O)c1cccnc1Cl 983995 BGPHHUWYPVJKBY-UHFFFAOYSA-N 248.669 2.693 0 50 BFAA O=C(NCc1cccc(Cl)c1)c1ccco1 1054747 SKRUZMQRWFAEPX-UHFFFAOYSA-N 235.670 2.863 0 50 BFAA Cc1ccc(OCCNC(C)(C)C)cc1 2931284 LPPDTWUFYNZHBD-UHFFFAOYSA-N 207.317 2.762 0 50 BFAA CCSc1ccc2cc(C(=O)O)[nH]c2c1 6658355 BXQSBIBCZROABS-UHFFFAOYSA-N 221.281 2.978 0 50 BFAA in-vitro NCc1ccccc1-c1ccc(F)cc1 12359625 MLXCERLVQPYBIA-UHFFFAOYSA-N 201.244 2.951 0 50 BFAA in-vitro COC(=O)c1ccc(CNc2ccccc2)o1 12404576 LLABZWGUDALVPM-UHFFFAOYSA-N 231.251 2.678 0 50 BFAA in-vitro NC[C@H]1C[C@@H]1c1ccccc1Br 34893490 WYOKWGHFWKWDEZ-APPZFPTMSA-N 226.117 2.511 0 50 BFAA COc1ccc(NC(=O)Nc2cccnc2)cc1 37868931 DJZIXMNKKSDCBD-UHFFFAOYSA-N 243.266 2.734 0 50 BFAA COc1ncc(Cl)cc1OC(C)C 65337505 CZRIAFWTSZSAGR-UHFFFAOYSA-N 201.653 2.531 0 50 BFAA FC(F)c1ccc(Br)nc1 71863924 QUHDJDVFZSVUOH-UHFFFAOYSA-N 208.005 2.782 0 50 BFAA in-vitro Cc1noc(-c2cc(C)n(-c3ccccc3)n2)n1 113743065 DZNGGLYAJHMAKL-UHFFFAOYSA-N 240.266 2.539 0 50 BFAA Cc1ccc(C(=O)O[C@@H](C)c2cnoc2C)o1 241869002 STPLUKWYYZGJEO-QMMMGPOBSA-N 235.239 2.802 0 50 BFAA Fc1cccc2c([C@@H]3CCOC3)c[nH]c12 255190210 VQVIVSKGHHLPOL-MRVPVSSYSA-N 205.232 2.811 0 50 BFAA Nc1ccc(C(F)(F)F)cc1OC(F)F 258828006 DSHJMQFAKPWJAI-UHFFFAOYSA-N 227.132 2.889 0 50 BFAA O=C(O)[C@@H]1C[C@H]1c1csc(Br)c1 306718747 WPMXSYQGUFJOPQ-NTSWFWBYSA-N 247.113 2.699 0 50 BFAA Cc1csc(CN(C)c2ccccc2CO)n1 387011670 BOKIGTIGBWIMBX-UHFFFAOYSA-N 248.351 2.580 0 50 BFAA C=CC(=O)N1CCC(C)(c2ccccc2)CC1 863971024 BMZZKKLLHGZDSE-UHFFFAOYSA-N 229.323 2.753 0 50 BFAA C=CC(=O)Nc1cc2c(cc1Cl)OCCC2 1776002942 NQWBPTVGFCYGKT-UHFFFAOYSA-N 237.686 2.790 0 50 BFAA C=CC(=O)N1CCC[C@H](c2ccc(OC)cc2)C1 1875367268 LATBDCUQTJQRDR-ZDUSSCGKSA-N 245.322 2.587 0 50 BFAA O=C(NCc1ccccn1)c1ccc(Cl)cc1 29235 CGUPFQBYBURSCZ-UHFFFAOYSA-N 246.697 2.665 0 50 BFAA COc1ccc2c(C)c(C)c(=O)oc2c1C 36407 TVWLCJVDJFYZSD-UHFFFAOYSA-N 218.252 2.727 0 50 BFAA biogenic O=C(O)/C=C/c1ccc(Br)cc1F 57075 SVJGKQYKYNDYMU-DUXPYHPUSA-N 245.047 2.686 0 50 BFAA in-vitro CCc1ccc(NC(=O)c2ccncc2)cc1 119455 LRAJJEZKIKVEIG-UHFFFAOYSA-N 226.279 2.896 0 50 BFAA CC(C)[C@H]1C[C@H](c2csc(N)n2)CCO1 191473 JXYPLQDIDJLTJJ-PSASIEDQSA-N 226.345 2.644 0 50 BFAA Cc1cccc(NC(=O)NCc2ccco2)c1 395266 MLGRHEYXKMIWJJ-UHFFFAOYSA-N 230.267 2.910 0 50 BFAA O=C(NCc1ccncc1)Nc1cccc(F)c1 4030088 LYFZNRMUFWXVJB-UHFFFAOYSA-N 245.257 2.542 0 50 BFAA O=Cc1cnc(-c2ccc(Cl)cc2)nc1 8731017 BUGWBANLAMFQAX-UHFFFAOYSA-N 218.643 2.610 0 50 BFAA in-vitro CC[C@H](C)Oc1cc(C=O)ccc1OC 20217386 QUTAHKMUOGGGGW-VIFPVBQESA-N 208.257 2.685 0 50 BFAA in-vitro Cc1cccc(CN2C[C@H](C)O[C@@H](C)C2)c1 23115019 HPNXLNJSYNWUNL-STQMWFEESA-N 219.328 2.604 0 50 BFAA COc1cc(C)c(-c2ccnc(CO)c2)c(C)c1 32516098 RHZZBAURDKTCEB-UHFFFAOYSA-N 243.306 2.866 0 50 BFAA COc1cccc2c(C(=O)O)cccc12 34568728 XOAHGFTUIRAVTN-UHFFFAOYSA-N 202.209 2.547 0 50 BFAA in-vitro OCc1cc(Cl)ccc1OC(F)(F)F 71867306 JIVPVUAGDRWIBR-UHFFFAOYSA-N 226.581 2.731 0 50 BFAA COc1ccnc(-c2cccc(N(C)C)c2)c1 96132834 NKSXSGJZLWKWDJ-UHFFFAOYSA-N 228.295 2.823 0 50 BFAA O=C(C1=NO[C@@H]2[C@H]3CC[C@@H](C3)[C@H]12)c1ccccc1 247807504 CEAYTPVKXPIMKF-UUIJZJDISA-N 241.290 2.670 0 50 BFAA CCc1onc(-c2ccc(Cl)o2)c1C(=O)O 675057313 AELJQMOXZPOZFE-UHFFFAOYSA-N 241.630 2.849 0 50 BFAA Cc1ccc2nc(Cl)c(C(C)C)c(=O)n2c1 725245922 ZJKSKYPULTXBLU-UHFFFAOYSA-N 236.702 2.780 0 50 BFAA O=Cc1cccc(-c2ccc(C(=O)O)o2)c1F 725261107 NFTMPMFQXWGQKU-UHFFFAOYSA-N 234.182 2.596 0 50 BFAA CC(=O)c1ccc(C(=O)OC[C@@H]2CC[C@H](C)C2)[nH]1 1875295410 XKCDPWNHIDIYCX-GXSJLCMTSA-N 249.310 2.810 0 50 BFAA CCC[C@@H](C)NC(=O)Cc1ccccc1 30351 USEXPDQDHPXYDI-LLVKDONJSA-N 205.301 2.534 0 50 BFAA CCn1ncc(C(=O)Nc2ccc(F)cc2)c1C 371229 JNFICCAKIYCSEH-UHFFFAOYSA-N 247.273 2.603 0 50 BFAA S=C(Nc1ccccc1Cl)NC1CC1 450495 KSQYQQIOUAPSCL-UHFFFAOYSA-N 226.732 2.789 0 50 BFAA COC(=O)/C=C/c1ccc(C(F)(F)F)cc1 2386352 YUEFITCWDISQAO-QPJJXVBHSA-N 230.185 2.892 0 50 BFAA in-vitro C[C@H]1CN(Cc2cccc(Cl)c2)C[C@@H](C)O1 12408888 ABPZVYPJUQZREO-PHIMTYICSA-N 239.746 2.949 0 50 BFAA CC[C@@H](C)NC(=O)[C@H](C)Oc1ccc(C)cc1 13001588 AORSHQLOSLDSTP-NEPJUHHUSA-N 235.327 2.677 0 50 BFAA C[C@@H](C(=O)O)c1ccc(Br)cc1 19726361 PFDBEACWLCHWRZ-ZCFIWIBFSA-N 229.073 2.637 0 50 BFAA in-vitro Fc1cc2[nH]nc(Br)c2cc1F 66354608 BAWKUYQIZMQJJE-UHFFFAOYSA-N 233.015 2.604 0 50 BFAA in-vitro Oc1ccc(-c2ncc(Cl)cn2)cc1 67817255 DKCLSPSJCGWENT-UHFFFAOYSA-N 206.632 2.503 0 50 BFAA Cc1c(O)ccc(I)c1C 71255472 LLSRHWKZLHNAMI-UHFFFAOYSA-N 248.063 2.614 0 50 BFAA in-vitro C[C@H](O)c1c(F)cccc1Br 75852776 JIUIEPDQCBTIEI-YFKPBYRVSA-N 219.053 2.642 0 50 BFAA in-vitro COC(=O)c1ccc(-c2cccc(N)c2)cc1F 85210191 UBKZXFOESPUJDV-UHFFFAOYSA-N 245.253 2.862 0 50 BFAA in-vitro Nc1ncc(C(=O)O)cc1-c1ccc(Cl)cc1 95495525 VNVANSXPUFRFST-UHFFFAOYSA-N 248.669 2.682 0 50 BFAA in-vitro COc1ccc2c(c1)[C@H]1CN=C3CCCC[C@@]31O2 96027963 DRKPIHKTIRPCSV-DOMZBBRYSA-N 243.306 2.939 0 50 BFAA CC(C)(C)[C@H]1OCC[C@@H]1CNCc1ccncc1 189239605 BKLGPJHTCVKEFH-KGLIPLIRSA-N 248.370 2.622 0 50 BFAA Cc1ccccc1CCCN1CC[C@@H](O)C[C@H]1C 225414369 HIJOKDZJPFJFAH-GDBMZVCRSA-N 247.382 2.773 0 50 BFAA Cc1ccc([C@H]2CCCN2CC(=O)O)cc1C 237792225 PRFIKCHAIMYRMI-CYBMUJFWSA-N 233.311 2.525 0 50 BFAA C[C@H]1CCSCCN1CCCCCF 253416967 YOPNPUBWIPXRHN-NSHDSACASA-N 219.369 2.954 0 50 BFAA CC1=CC[C@@H]2CN(Cc3nnc(C)s3)C[C@@H]2C1 299794801 KXVIKZRSZZIMOH-NEPJUHHUSA-N 249.383 2.635 0 50 BFAA C=CC(=O)N1CC[C@H](C)[C@@H]1c1ccccc1 1338395884 YPGBWMZBSKRTJO-SMDDNHRTSA-N 215.296 2.782 0 50 BFAA c1cn(CC[C@@H]2CCCOC2)c(C2CC2)n1 1857741169 GOEFGXKCWZFUFI-NSHDSACASA-N 220.316 2.577 0 50 BFAA Cc1ccncc1NC(=O)C[C@@]12CCC[C@@H]1C2 1875312377 ZVPGUVBZPWGJPX-RISCZKNCSA-N 230.311 2.909 0 50 BFAA CCOc1ncccc1-c1nc(C)c(C)c(C)n1 2100557393 RCDIALKRBWIYQE-UHFFFAOYSA-N 243.310 2.863 0 50 BFAA CN(C)C(=O)c1cc(Cl)ccc1Cl 60725 FTVGIVMOPUSSRH-UHFFFAOYSA-N 218.083 2.695 0 50 BFAA C1CCN(C[C@H]2COC3(CCCCC3)O2)CC1 238636 QYPMYEBDZRSXPG-ZDUSSCGKSA-N 239.359 2.548 0 50 BFAA COC(=O)[C@@H](C)Oc1cccc(C(F)(F)F)c1 6524428 JDKIVMBNEYBNAT-SSDOTTSWSA-N 248.200 2.646 0 50 BFAA CC(=O)OC[C@@]12CC=C(C)[C@@H]([C@@H](C)OC1)[C@H]2C 12878457 KSCMOJQRHWGLDT-HBJVGIJOSA-N 238.327 2.557 0 50 BFAA biogenic CCCC(=O)Nc1cc(C(=O)O)ccc1Cl 19420918 FGYVECLRQDHPQF-UHFFFAOYSA-N 241.674 2.777 0 50 BFAA C[C@@H]1CN(Cc2cccc(Cl)c2)C[C@@H](C)O1 19606841 ABPZVYPJUQZREO-GHMZBOCLSA-N 239.746 2.949 0 50 BFAA CCOC(=O)CCc1ccccc1Cl 34497550 PRDDIJZMYPKFOA-UHFFFAOYSA-N 212.676 2.836 0 50 BFAA in-vitro O=Cc1cccc(OC(F)(F)F)c1F 36533772 IKUSXOFNQSIUDU-UHFFFAOYSA-N 208.110 2.537 0 50 BFAA CC(C)CCC[C@H]1CN(C(=O)C(C)C)CCO1 67919768 HBDARNUVIBVIGQ-ZDUSSCGKSA-N 241.375 2.696 0 50 BFAA Cc1ccc(Br)c2[nH]ncc12 71789967 QOYOLKAXXZIJRY-UHFFFAOYSA-N 211.062 2.634 0 50 BFAA in-vitro CC1(C)C[C@@H]1C(=O)Nc1ccccc1F 130254484 MOZYZLYHBZAWNO-MRVPVSSYSA-N 207.248 2.810 0 50 BFAA Cc1c(N)cccc1OC(=O)c1cccs1 146422687 WLAZMIPCAYHIQV-UHFFFAOYSA-N 233.292 2.858 0 50 BFAA Clc1ccc2cn[nH]c2c1Br 238537114 CEFVPAPRHAPOLM-UHFFFAOYSA-N 231.480 2.979 0 50 BFAA CCCCOc1cccc(-c2cncc(=O)[nH]2)c1 426509349 JCFTWGXSHSUHLD-UHFFFAOYSA-N 244.294 2.616 0 50 BFAA O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N1CCC[C@@H]2C[C@@H]21 585082197 ATHTXIQPWDKBEV-HPCHECBXSA-N 233.355 2.824 0 50 BFAA CCCCCOc1nccc(Br)n1 725345681 WDKYWRVWAQJCJG-UHFFFAOYSA-N 245.120 2.808 0 50 BFAA CC(C)[C@H]1CCC(=O)C[C@@H]1N(C)C(C)C 725363167 YXFVJGASGNFKOF-OLZOCXBDSA-N 211.349 2.720 0 50 BFAA C=CC(=O)N[C@@H](C)c1ccc(F)cc1Cl 1346098387 CLNVKMBOKGEMCB-ZETCQYMHSA-N 227.666 2.842 0 50 BFAA Clc1cccc(Cl)c1C1[N@]2CCC[N@@]12 1857524624 MPYAFRMNCKUHHH-KBPBESRZSA-N 229.110 2.928 0 50 BFAA C=CC(=O)NC[C@H](F)c1ccc(C)c(C)c1 1875368808 RHDMFXQJUXSVNN-LBPRGKRZSA-N 221.275 2.616 0 50 BFAA O=c1cc(-c2ccncc2)oc2ccccc12 193788 WTKMIKUCGVSMDD-UHFFFAOYSA-N 223.231 2.855 0 50 BFAA O=C(Cc1ccc(Cl)cc1)Nc1ccncc1 280817 BZLJQQFQEUQGGW-UHFFFAOYSA-N 246.697 2.916 0 50 BFAA CC(C)Cn1c(C=O)nc2ccccc21 305529 YSSSSYAZMZMSNB-UHFFFAOYSA-N 202.257 2.505 0 50 BFAA in-vitro CC[C@H](C)c1ccccc1OCC(=O)O 359098 JHXIYIRARDDHJU-VIFPVBQESA-N 208.257 2.664 0 50 BFAA in-vitro COc1ccccc1NC(=S)NCC(C)C 458824 RUBUBOAEBDAYMW-UHFFFAOYSA-N 238.356 2.638 0 50 BFAA Oc1cc(O)cc(/C=C/c2ccc(O)cc2O)c1 899161 PDHAOJSHSJQANO-OWOJBTEDSA-N 244.246 2.679 0 50 BFAA biogenic,in-vivo CC(=O)C[C@]1(C)Nc2ccccc2S1 983351 HWKQLFDRXPYESK-LLVKDONJSA-N 207.298 2.900 0 50 BFAA CCOP(=O)(CCCCC(=O)O)OCC 2569992 YGEORQNREMLBKS-UHFFFAOYSA-N 238.220 2.507 0 50 BFAA Nc1ccc2c(c1)CN(Cc1ccccc1)C2 4383811 APHDKXQNTZQBHW-UHFFFAOYSA-N 224.307 2.785 0 50 BFAA Cc1ccc(NC(=S)NC2CC2)c(C)c1 4682524 KQFLNKUWQOVUDW-UHFFFAOYSA-N 220.341 2.752 0 50 BFAA CC(C)(C)COc1ccc(C(=O)O)cc1 12138098 VZGBFUCAXPSHOP-UHFFFAOYSA-N 208.257 2.810 0 50 BFAA in-vitro c1ccc2c(O[C@H]3CCNC3)cccc2c1 14632262 JDZBOWZMSWOEJT-LBPRGKRZSA-N 213.280 2.581 0 50 BFAA COc1ccc([C@@H](CC(C)C)NC(C)=O)cc1 33359577 OLQXSIIRAKRIJZ-CQSZACIVSA-N 235.327 2.919 0 50 BFAA C[C@H](C(=O)O)c1cccc(Br)c1 36377931 QLHMQZFTSIHQIT-LURJTMIESA-N 229.073 2.637 0 50 BFAA CCOC(=O)[C@@H]1CCCCN1[C@@H]1CC[C@H](C)C1 42465311 LEPDWDXEVCKHTR-XQQFMLRXSA-N 239.359 2.593 0 50 BFAA CCOC(=O)C[C@H]1CCCCC1(F)F 66324283 METPEYIWWISPRR-MRVPVSSYSA-N 206.232 2.765 0 50 BFAA in-vitro CN(C)CCOc1ccccc1-c1ccncc1 96148972 NMEGFUJXXWOAOP-UHFFFAOYSA-N 242.322 2.689 0 50 BFAA CN(C(=O)OC(C)(C)C)c1ccnc(Cl)n1 113853192 ZNTAQUJSTLQNPT-UHFFFAOYSA-N 243.694 2.501 0 50 BFAA COc1cc(-c2cc(C=O)ccc2F)ccn1 122665029 CPYSSPBITRSREP-UHFFFAOYSA-N 231.226 2.709 0 50 BFAA CSc1cc(SC)cc(C(=O)O)c1 142982618 BOSJJCQSPFIZHK-UHFFFAOYSA-N 214.311 2.829 0 50 BFAA C[C@@H]1Cc2cc(Br)ccc2C(=O)O1 145811297 FQXNEJZEPHQHEK-ZCFIWIBFSA-N 241.084 2.551 0 50 BFAA Cc1cc(Cl)c(CC(=O)O)cc1Cl 263624295 PBAXQFIMQQELIU-UHFFFAOYSA-N 219.067 2.929 0 50 BFAA Cc1cc(-c2nccs2)c(Cl)nn1 725374129 IGFRMFCNPDEXBT-UHFFFAOYSA-N 211.677 2.562 0 50 BFAA CC1(C)Cn2c(nnc2-c2ccccc2)S1 545177 FFVTZBCEZRPMKX-UHFFFAOYSA-N 231.324 2.829 0 50 BFAA COCc1cc(F)ccc1Br 2528588 VZDHNNAARQPBCA-UHFFFAOYSA-N 219.053 2.735 0 50 BFAA Brc1ccc([C@H]2CCCN2)cc1 3732248 HIJZBROSVFKSCP-SNVBAGLBSA-N 226.117 2.874 0 50 BFAA in-vitro OC1(/C=C/C2(O)CCCCC2)CCCCC1 4612938 GYIMVWOXBGYPCQ-VAWYXSNFSA-N 224.344 2.933 0 50 BFAA CCCNC(=O)C[C@H](C)c1ccccc1 5591225 HLCLMJMOSKYAEO-NSHDSACASA-N 205.301 2.706 0 50 BFAA CC(C)C(=O)Nc1ccc(Cl)cc1N 8732406 YCXWEZUJLYFKCU-UHFFFAOYSA-N 212.680 2.517 0 50 BFAA in-vitro CCOC(=O)c1nc(-c2ccccc2)[nH]c1C 19737173 NBVIVZIQTRTTBY-UHFFFAOYSA-N 230.267 2.562 0 50 BFAA in-vitro CO/C=C1\CCCC12CC(OC)=C(OC)C2 43763141 CGZYMZRZPKRQMU-MDZDMXLPSA-N 224.300 2.985 0 50 BFAA CC[C@H](CO)N(Cc1ccsc1)CC1CC1 55212145 YFDFROJBQUUQJH-CYBMUJFWSA-N 239.384 2.731 0 50 BFAA CN(C(=O)OC(C)(C)C)c1cccc(CN)c1 61950392 WZLCRKYCULAGBY-UHFFFAOYSA-N 236.315 2.517 0 50 BFAA in-vitro CCCc1nc(C)cc(-c2ccc(OC)nc2)n1 67878215 OIRCJGLAYVPCEU-UHFFFAOYSA-N 243.310 2.808 0 50 BFAA CCCN(C)C(=O)c1ccc(Cl)c(F)c1 130377749 PDSMMHOMRQBQDN-UHFFFAOYSA-N 229.682 2.961 0 50 BFAA CCCn1ccnc1CCCN(C)C1CCC1 194839166 QKHJDYUXJCPTRH-UHFFFAOYSA-N 235.375 2.710 0 50 BFAA Cc1ccc2c(c1)c(Br)nn2C 212620150 JYPWTFQBPNNMON-UHFFFAOYSA-N 225.089 2.644 0 50 BFAA CS[C@H]1CCC[C@@H](Nc2cnccn2)C1 227358088 BOWKSLVJJFNLCO-ZJUUUORDSA-N 223.345 2.563 0 50 BFAA FC(F)(F)COc1ncccc1Cl 230531436 OPHKOTDXPHQBSI-UHFFFAOYSA-N 211.570 2.676 0 50 BFAA C[C@@H]1CCC[C@H](CCN2CCC[C@@H]2C(=O)O)C1 237607435 OMAFQQGOPKTRBJ-JHJVBQTASA-N 239.359 2.752 0 50 BFAA Cc1cc(Br)cc2c1[C@@H](N)CC2 238463331 LWCGGULSLSMPSO-VIFPVBQESA-N 226.117 2.704 0 50 BFAA O=C(O)/C=C/c1ccc(C(F)(F)F)c(O)c1 299805488 QBERWMHZJGIPRH-DUXPYHPUSA-N 232.157 2.509 0 50 BFAA NC(=O)c1ccnc(/C=C/C2CCCCC2)c1 426415236 DADSVAUJNZNOTF-VOTSOKGWSA-N 230.311 2.774 0 50 BFAA c1cc2c(c(-c3n[nH]c(C4CCC4)n3)c1)OCC2 426487382 MTPFJJCIOJGTJA-UHFFFAOYSA-N 241.294 2.674 0 50 BFAA O=Cc1cc(O)c(Cl)cc1Br 575675306 HTXLIBWANWNYOX-UHFFFAOYSA-N 235.464 2.621 0 50 BFAA c1nc([C@H]2CCCN2CC2CCCCC2)n[nH]1 1775985762 JSCFZUXXJNMEOP-GFCCVEGCSA-N 234.347 2.522 0 50 BFAA CC(C)(C)NC[C@@H](O)c1ccccc1Cl 20236 YREYLAVBNPACJM-LLVKDONJSA-N 227.735 2.762 0 50 BFAA biogenic,world C[C@]12CCCC[C@H]1c1ccccc1C(=O)N2 93594 OILHGVNUGYSDRQ-JSGCOSHPSA-N 215.296 2.846 0 50 BFAA Nc1ccc(-c2nc3ccccc3o2)c(O)c1 123059 KUANTGJTSYDEOS-UHFFFAOYSA-N 226.235 2.783 0 50 BFAA biogenic CC(=O)S[C@@H](C)CC(=O)Nc1ccccc1 281162 SBKPZDCRFAMXOV-VIFPVBQESA-N 237.324 2.683 0 50 BFAA COc1cccc2c1-c1c(O)cccc1C2=O 336559 LIMLPOYHNZZCPB-UHFFFAOYSA-N 226.231 2.612 0 50 BFAA CC[C@H]1CCCCN1C(=O)c1ccc(C)o1 476477 HYKHBSRNBBCIDT-NSHDSACASA-N 221.300 2.993 0 50 BFAA COC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1 4985953 SNPKAJRSAVLKOE-GFCCVEGCSA-N 247.338 2.705 0 50 BFAA COc1ccc(C)cc1NC(=O)Nc1ccon1 5041518 VCLZMXYZXWFULU-UHFFFAOYSA-N 247.254 2.636 0 50 BFAA Fc1ccc(CNCc2ccccn2)cc1 5050822 KLPCSGOZPBAIQJ-UHFFFAOYSA-N 216.259 2.511 0 50 BFAA CC[C@H](NC(=O)C1CC1)c1ccc(C)cc1 6728660 BJOXZJQBAZPZHS-ZDUSSCGKSA-N 217.312 2.972 0 50 BFAA CC(C)c1cc(=O)[nH]c(Nc2ccccc2)n1 9939311 SYLUYQYVCQTRDD-UHFFFAOYSA-N 229.283 2.637 0 50 BFAA CCOC(=O)c1ccccc1-c1ccccn1 34085890 SYTSMWKUYQQFPH-UHFFFAOYSA-N 227.263 2.925 0 50 BFAA O=Cc1cc(F)cc(Br)c1F 34330887 TVCPYZKOMHPTLX-UHFFFAOYSA-N 221.000 2.540 0 50 BFAA in-vitro C[C@@H]1COc2ccc(Br)cc2N1 62529562 DAMUKFVLKNTFNK-ZCFIWIBFSA-N 228.089 2.642 0 50 BFAA in-vitro Cc1cc2ncn(-c3cccc(N)n3)c2cc1C 65531134 SGUIQIPWGYYYME-UHFFFAOYSA-N 238.294 2.620 0 50 BFAA Cc1nc2[nH]ccc2c(C)c1Br 95698423 MJDCLAWSVBUKNW-UHFFFAOYSA-N 225.089 2.942 0 50 BFAA CC(C)c1cc(O)n(-c2ccccc2)n1 100070097 ZPIBFYQAWPGJNC-UHFFFAOYSA-N 202.257 2.701 0 50 BFAA O=Cc1ccc(OCCC(F)(F)F)c(F)c1 127300053 IDDKFQDHRIHNNS-UHFFFAOYSA-N 236.164 2.969 0 50 BFAA Cc1cc(C[C@@H](C)NCCC(C)(C)C)n[nH]1 188112742 PEDKFMZQBKCURI-SNVBAGLBSA-N 223.364 2.675 0 50 BFAA O=C1Cc2cc(Cl)c(Br)cc2N1 230569489 RJWNCPKNANWIGI-UHFFFAOYSA-N 246.491 2.597 0 50 BFAA Cc1cnn([C@H]2CCCCO2)c1Br 238494743 CICXLSGHZGLVQY-MRVPVSSYSA-N 245.120 2.653 0 50 BFAA Cc1noc(C(=O)Nc2ccccc2C(C)C)n1 253420296 HEZXAKSPTRXNDA-UHFFFAOYSA-N 245.282 2.754 0 50 BFAA Cc1ccc(SCCO)c(Br)c1 255187092 BFVRGJGIUZHZCF-UHFFFAOYSA-N 247.157 2.842 0 50 BFAA CCOc1cc(F)c(Cl)cc1C(=O)O 328578028 KODAOWMPWHAGHF-UHFFFAOYSA-N 218.611 2.576 0 50 BFAA Cc1ccc(O[C@H]2CCOC2)c(Cl)c1 336614045 VSEAIHZRSWXGEZ-VIFPVBQESA-N 212.676 2.816 0 50 BFAA CC(C)c1cc(CN[C@@H]2CCCSC2)no1 534644118 WUKNOUUNWRBINM-SNVBAGLBSA-N 240.372 2.783 0 50 BFAA O=[S@](O)c1cc(Cl)cc(C(F)(F)F)c1 675061756 OMHZGWAEGPJDQK-UHFFFAOYSA-N 244.621 2.939 0 50 BFAA CCn1cc(CNc2cncc(SC)c2)cn1 870999572 PBRRPKKIOODCDJ-UHFFFAOYSA-N 248.355 2.632 0 50 BFAA CC(C)(C)[C@H](N)C1(O)CCCCCCC1 958527761 HIWAUMBDEJRZSO-NSHDSACASA-N 213.365 2.835 0 50 BFAA CCC[C@@H](C)NCc1cccn2ccnc12 1615586089 IBLWRJHIQQOOAT-LLVKDONJSA-N 217.316 2.613 0 50 BFAA CC(C)(C)c1cc(Cn2ccnc2)ccc1O 155470 BASAXQLKZGXFFT-UHFFFAOYSA-N 230.311 2.935 0 50 BFAA CC(C)[C@H]1C[C@@H](c2csc(N)n2)CCO1 191449 JXYPLQDIDJLTJJ-WCBMZHEXSA-N 226.345 2.644 0 50 BFAA S=C(NCc1ccccc1)N1CCCCC1 466414 ODCBSMJLEWRRSJ-UHFFFAOYSA-N 234.368 2.547 0 50 BFAA CCc1ccc(CCC(=O)NC(C)C)cc1 10370226 MVVYUVWTACUMSA-UHFFFAOYSA-N 219.328 2.706 0 50 BFAA O=C1NC(=O)/C(=C/C=C/c2ccccc2)S1 12407217 XABHYXPBBJGVRA-DODKFZKMSA-N 231.276 2.567 0 50 BFAA Cc1ccc(C)c([C@H](N)c2cccnc2)c1 19972422 NULQARXVUXOZBH-CQSZACIVSA-N 212.296 2.747 0 50 BFAA Nc1ccc2[nH]nc(-c3ccccc3)c2c1 31990405 MOBJHQPTGMYKCJ-UHFFFAOYSA-N 209.252 2.812 0 50 BFAA in-vitro FC(F)c1ccncc1Br 32299483 KCMMLUVZVBBEFO-UHFFFAOYSA-N 208.005 2.782 0 50 BFAA in-vitro CN[C@H](c1ccccc1)[C@H](NC)c1ccccc1 38202285 BTHYVQUNQHWNLS-HZPDHXFCSA-N 240.350 2.908 0 50 BFAA in-vitro O[C@@H]1C=C[C@]23C=CC=C[C@]2(CC=CC3)C1 45071732 QJHLWNOGCIAERA-MCIONIFRSA-N 200.281 2.756 0 50 BFAA Nc1cnc2c(C(F)(F)F)cccc2c1 95802885 QGMUHKAEGCPBLW-UHFFFAOYSA-N 212.174 2.836 0 50 BFAA in-vitro O=C1Nc2ccccc2N=C2CCC[C@@H]12 100853472 FKFLNGUFPIVPJE-MRVPVSSYSA-N 200.241 2.511 0 50 BFAA OCc1cccc(Sc2ccncc2)c1 204286715 DYLHUKMWPNMFAT-UHFFFAOYSA-N 217.293 2.725 0 50 BFAA CC(=O)c1nccn1Cc1cccc(Cl)c1 225543681 NYYVPDFHOGSYJB-UHFFFAOYSA-N 234.686 2.787 0 50 BFAA CC1=CC(C)(C)N2C(=O)C(=O)c3cc(F)cc1c32 253495793 QYGBWGPROWPNTR-UHFFFAOYSA-N 245.253 2.551 0 50 BFAA COc1c(C)cnc(CN2C[C@H]3C[C@]3(C)C2)c1C 1775978547 ABEOMNXBMCMFFX-IUODEOHRSA-N 246.354 2.549 0 50 BFAA C[C@@H](O)Cn1ccnc1-c1ccccc1Cl 2100477636 DNWJUDQRZBOHMI-SECBINFHSA-N 236.702 2.584 0 50 BFAA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)O 56613 MZHCENGPTKEIGP-YFKPBYRVSA-N 235.066 2.845 0 50 BFAA biogenic,in-vitro COc1ccc(-c2ccnc(SC)n2)cc1 126325 BEEYAIQJLUJSMQ-UHFFFAOYSA-N 232.308 2.874 0 50 BFAA Cc1ccc(C(=O)N2CCC(C)CC2)cc1 127853 XJSQXVFZPMZDCQ-UHFFFAOYSA-N 217.312 2.867 0 50 BFAA O=C(COc1ccccc1)Nc1ccc(F)cc1 128326 ZQKXCNVHGORDOJ-UHFFFAOYSA-N 245.253 2.843 0 50 BFAA c1ccc2oc(N3CCCCC3)nc2c1 180000 ZSBQPJZYLMTSLO-UHFFFAOYSA-N 202.257 2.818 0 50 BFAA O[C@@H]1CCCN(Cc2ccc3ccccc3c2)C1 200237 LJBHRWWALSUHEC-MRXNPFEDSA-N 241.334 2.797 0 50 BFAA CC[C@H](C(=O)Nc1ccon1)c1ccccc1 1055644 SZRQFFYFLMVKTJ-NSHDSACASA-N 230.267 2.807 0 50 BFAA C[C@@H]1CCCN(C(=O)c2ccc(Cl)nc2)C1 1463524 HRVYSCHTBOJEOY-SECBINFHSA-N 238.718 2.607 0 50 BFAA Brc1csc(Br)n1 2245232 MKEJZKKVVUZXIS-UHFFFAOYSA-N 242.923 2.668 0 50 BFAA in-vitro Oc1ccc(Cl)c(Br)c1 2545218 JLFFHIKASCUQRL-UHFFFAOYSA-N 207.454 2.808 0 50 BFAA in-vitro CCCc1cc(=O)[nH]c(Nc2ccc(F)cc2)n1 5625388 FDMYRHFIMCLVIF-UHFFFAOYSA-N 247.273 2.605 0 50 BFAA COC(=O)[C@@H](C)Oc1c(Cl)cccc1Cl 6824112 XYYWAIIUSAQRSP-ZCFIWIBFSA-N 249.093 2.934 0 50 BFAA in-vitro CCCOc1ccc(-c2nnc(S)[nH]2)cc1 8828859 ZWKUQWHFPHHISH-UHFFFAOYSA-N 235.312 2.549 0 50 BFAA C[C@H](NC(=O)NC1CCCCC1)c1cccnc1 13331940 HSEWSFAEFIZFLI-NSHDSACASA-N 247.342 2.775 0 50 BFAA O=C(CCc1ccccc1F)Nc1cccnc1 19603669 IYZLDZHPIVKQPY-UHFFFAOYSA-N 244.269 2.792 0 50 BFAA CCN(CCN(C)C)Cc1cccc(Cl)c1 19634582 SFVCQMBNIQYYED-UHFFFAOYSA-N 240.778 2.724 0 50 BFAA COC(=O)c1cc(Cl)cc(Br)c1 28278684 GJKMQSHEAYKNEF-UHFFFAOYSA-N 249.491 2.889 0 50 BFAA O=C(O)c1cccc(-c2ccsc2)n1 34924629 OWCIGXCPSXNXGD-UHFFFAOYSA-N 205.238 2.508 0 50 BFAA in-vitro O[C@@H]1C[C@@H]2C=C[C@@H]3C=C(c4ccccc4)[C@@H]1[C@H]32 45070836 CFWGFWXYQMMSFE-IPQWEPCOSA-N 224.303 2.883 0 50 BFAA CC(C)(C)OC(=O)n1ccc2c(CN)cccc21 70461065 GLWDBVSNSVHLRT-UHFFFAOYSA-N 246.310 2.883 0 50 BFAA Cc1cccc2c1NC(=O)[C@H]2Cc1ccco1 101014058 BFNXTWJBKUEFGM-LBPRGKRZSA-N 227.263 2.866 0 50 BFAA COc1nccc(Cl)c1Br 145897484 RFHKYPBXCPFNKX-UHFFFAOYSA-N 222.469 2.506 0 50 BFAA c1ccc(CCOCc2noc(C3CC3)n2)cc1 170604745 YYPQEPOWLIZJBD-UHFFFAOYSA-N 244.294 2.706 0 50 BFAA C[C@H](c1ccccc1)N(CC(=O)O)CC1CCC1 237441505 AWUSRMAGFUYQDU-GFCCVEGCSA-N 247.338 2.934 0 50 BFAA Cc1coc(C)c1C(=O)N[C@@H]1CC[C@@H](F)C1 335343057 ZGKODAJSDMIPAZ-NXEZZACHSA-N 225.263 2.517 0 50 BFAA C[C@H]1C[C@@H](C)CN(c2ncnc3[nH]ccc23)[C@H]1C 352583907 PGWNJDAAGAZDPE-VWYCJHECSA-N 244.342 2.829 0 50 BFAA C=CC(=O)Nc1cccc(F)c1SC 1335301618 WEUJIPHBFCNPQP-UHFFFAOYSA-N 211.261 2.672 0 50 BFAA CC[C@@H]1COCc2nnc(-c3sccc3C)n21 2356168802 ODTCMVYYGATGSG-SECBINFHSA-N 249.339 2.796 0 50 BFAA C[C@@H]1CCCN(C(=O)[C@@H](C)Oc2ccccc2)C1 30485 KUNCMVZNJCVBNU-CHWSQXEVSA-N 247.338 2.712 0 50 BFAA Cn1cc(C=O)c2cc(Br)ccc21 270396 NZJJLQUTQOICBN-UHFFFAOYSA-N 238.084 2.753 0 50 BFAA in-vitro O=S(=O)(O)c1ccc(-c2ccccc2)cc1 1661217 XDTYUYVIGLIFCW-UHFFFAOYSA-N 234.276 2.600 0 50 BFAA CCCCNc1c(C=O)c(=O)oc2ccccc12 2029132 ZRDDDCSIZHRDIR-UHFFFAOYSA-N 245.278 2.818 0 50 BFAA O=Cc1ccccc1-c1ccccc1C(=O)O 2525617 NXEWGTWUNXITOI-UHFFFAOYSA-N 226.231 2.864 0 50 BFAA in-vitro CC(=O)c1ccccc1OC(F)(F)F 2560214 XTXSTESGCXKUIH-UHFFFAOYSA-N 204.147 2.788 0 50 BFAA in-vitro C[C@@H](N)c1ccc(Br)s1 3705655 NYBMETYMNLJOEL-SCSAIBSYSA-N 206.108 2.530 0 50 BFAA in-vitro Cn1c(CN2CCCCCC2)nc2ccccc21 4386054 FZKOFWHYNQMTSK-UHFFFAOYSA-N 243.354 2.949 0 50 BFAA Cc1cc(C2CCC2)nc(NCCCCCO)n1 71405729 XIXCCYDVQCTKGE-UHFFFAOYSA-N 249.358 2.627 0 50 BFAA C[C@@]1(c2ccccc2)CCCN(CCC(=O)O)C1 95526559 KZCLUUSSKWSIQT-OAHLLOKOSA-N 247.338 2.515 0 50 BFAA COc1ccc2cnc(=O)[nH]c2c1C1CCCC1 147350252 CIDIQTGKCARNNJ-UHFFFAOYSA-N 244.294 2.589 0 50 BFAA Fc1cccnc1OCCC(F)(F)F 169725332 ZORMHBQOVRAIOK-UHFFFAOYSA-N 209.142 2.552 0 50 BFAA Cc1ccc(NC(=O)N2CCCC[C@H]2C)nc1 184297030 RIDFQRADHKROJS-LLVKDONJSA-N 233.315 2.796 0 50 BFAA C[C@@H]1CCCCN1C[C@@H](O)c1ccccc1F 221092288 NJDSGOINJOZNSB-BXUZGUMPSA-N 237.318 2.734 0 50 BFAA CC(C)c1ccc(/C=[N+]2/CCC(S)=N2)cc1 263620204 XJPJJHDPWJTDKD-DHDCSXOGSA-O 233.360 2.888 0 50 BFAA O=C(O)Cc1cc(F)c(Cl)c(Cl)c1 263624126 NRAONLLUHYBJDF-UHFFFAOYSA-N 223.030 2.760 0 50 BFAA NC1(c2noc(C3CCCCCC3)n2)CCC1 335777495 FMSHIEWQLFCYAQ-UHFFFAOYSA-N 235.331 2.845 0 50 BFAA CCCCc1onc(-c2ccco2)c1C(=O)O 675057488 HDJLYYXJTXUELK-UHFFFAOYSA-N 235.239 2.975 0 50 BFAA CN(C(=O)c1ccc(C2CC2)cc1)c1cn[nH]c1 829456284 STQWDJGBXLAZDU-UHFFFAOYSA-N 241.294 2.564 0 50 BFAA FC1(F)C[C@H]1Cn1ccnc1-c1cncs1 1875247541 JJPXCWCALUAKQW-ZETCQYMHSA-N 241.266 2.662 0 50 BFAA CCN(CC)CCc1nc(-c2ccccc2)no1 1874 IDCHQQSVJAAUQQ-UHFFFAOYSA-N 245.326 2.621 0 50 BFAA biogenic,world C[C@H]1CCC[C@@H](NCC(C)(C)CN(C)C)C1 280100 FXQSOXZVJSHFRS-QWHCGFSZSA-N 226.408 2.743 0 50 BFAA Cc1c(O)ccc(C(=O)Cc2ccccc2)c1O 350912 QADPNRDWZDWADJ-UHFFFAOYSA-N 242.274 2.832 0 50 BFAA COc1ccc(C(=O)c2ccco2)cc1 456237 NESMDKYJXUDIIH-UHFFFAOYSA-N 202.209 2.519 0 50 BFAA in-vitro CCCc1nc2c(o1)CC(C)(C)CC2=O 517189 XXZXFJKESMKRTR-UHFFFAOYSA-N 207.273 2.782 0 50 BFAA biogenic CCOc1ccc(-n2cccc2C=O)cc1 609020 DUMUNLDIUQZSDB-UHFFFAOYSA-N 215.252 2.689 0 50 BFAA in-vitro CC1(C)COC(COc2ccc(Cl)cc2)=N1 756970 ZQJNCXOIMXSODE-UHFFFAOYSA-N 239.702 2.926 0 50 BFAA O=Cc1cc(Br)c(Cl)cc1O 4290810 JNRYILHFKYOXIK-UHFFFAOYSA-N 235.464 2.621 0 50 BFAA C[C@@H]1CCCN(CCOc2ccc(C=O)cc2)C1 4870135 ZGJHHXNWPXGFIY-CYBMUJFWSA-N 247.338 2.610 0 50 BFAA CC(=O)NCc1csc(-c2ccc(C)cc2)n1 6730013 SQLOITBMQHZYLT-UHFFFAOYSA-N 246.335 2.755 0 50 BFAA CCCc1sc(C(N)=O)cc1Br 13324030 YMMFLXQKSVZKNR-UHFFFAOYSA-N 248.145 2.562 0 50 BFAA CC(C)(C)OC(=O)N1CC[C@@H](C(F)(F)F)C1 40442765 RGMLHCFFVWGOJT-SSDOTTSWSA-N 239.237 2.806 0 50 BFAA CCOC(=O)Cc1ccc(Cl)c(F)c1 43503467 QJLZDNDZQQBARK-UHFFFAOYSA-N 216.639 2.585 0 50 BFAA Cc1ccc(-c2c[nH]nc2[C@H]2CCCNC2)cc1 67726085 QQDXJWLSDQLANX-ZDUSSCGKSA-N 241.338 2.852 0 50 BFAA COC(=O)c1ccncc1-c1ccc(F)cc1 97757057 LGAAMTQKVNLMSH-UHFFFAOYSA-N 231.226 2.674 0 50 BFAA O=C(O)/C(S)=C/c1cccc(Cl)c1 102314309 JQJZOGBHOXUCIV-YVMONPNESA-N 214.673 2.695 0 50 BFAA Cc1cc(F)c(C(=O)O)cc1Br 162575492 BGBAXZILVNOSAT-UHFFFAOYSA-N 233.036 2.595 0 50 BFAA CCCCC(=O)Nc1cccc2[nH]ncc12 169809975 QMXUEGPHKWCSST-UHFFFAOYSA-N 217.272 2.692 0 50 BFAA CCc1ccc(C(=O)O)c(C(F)(F)F)c1 221697980 MSLGSFTULSDEME-UHFFFAOYSA-N 218.174 2.966 0 50 BFAA CCC[C@H](C)C(=O)N1CCCO[C@H]2CCC[C@H]21 230086752 YYUZZXMHNICMID-XQQFMLRXSA-N 239.359 2.593 0 50 BFAA CC(C)(C)OC(=O)Cn1ccc2cccc(N)c21 231242039 VAFXEDHCPJFOGU-UHFFFAOYSA-N 246.310 2.565 0 50 BFAA CC1(C)CCCC[C@H]1N[C@@H]1C[C@H]2CC[C@H]1O2 251220538 ZMWLHAXKCXJGDR-FDYHWXHSSA-N 223.360 2.865 0 50 BFAA CC[C@H]1OCCC[C@H]1C(=O)Nc1cnccc1C 277142364 CGUVYHICVLNIGA-DGCLKSJQSA-N 248.326 2.534 0 50 BFAA C=Cc1ccc(CCNC(=O)CCC)cc1 293301599 MXLGAHNMWBDEDK-UHFFFAOYSA-N 217.312 2.788 0 50 BFAA Cn1cc(-c2ccc(C(=O)C3CC3)cc2F)cn1 426477655 CUFCIVMRIGUQSM-UHFFFAOYSA-N 244.269 2.819 0 50 BFAA c1cc(CNCC[C@H]2C[C@H]3CC[C@H]2C3)no1 634956854 VQOMIHWEHKNWPK-SRVKXCTJSA-N 220.316 2.591 0 50 BFAA Cc1[nH]nc(-c2ocnc2CC2CC2)c1Cl 2356143394 GCKCWXQUDXFXFW-UHFFFAOYSA-N 237.690 2.979 0 50 BFAA CCCc1cc(=O)oc2cc(OC)ccc12 46587 IQWJXZQHXINMIY-UHFFFAOYSA-N 218.252 2.754 0 50 BFAA Cc1ccc2nc(C)cc(C(=O)O)c2c1 286140 PPFCNYVQJDEENH-UHFFFAOYSA-N 201.225 2.550 0 50 BFAA in-vitro CO[C@@H]1CCCC[C@H]1NCCc1ccccc1 294247 NAMQJTJLKSDSAA-HUUCEWRRSA-N 233.355 2.776 0 50 BFAA O=C(COC(=O)[C@H]1C=CCCC1)c1ccccc1 448520 CORMBNGUTGWCOF-ZDUSSCGKSA-N 244.290 2.769 0 50 BFAA COc1ccccc1-n1cnc2cc(N)ccc21 972525 SWJKWARGFFLVJA-UHFFFAOYSA-N 239.278 2.616 0 50 BFAA Nc1cccc(-c2ccccc2C(=O)O)c1 2513016 UJLZGGUKWSTQJC-UHFFFAOYSA-N 213.236 2.634 0 50 BFAA in-vitro BrC1=C2C=CC=CN2CC=C1 4086497 FVSPIAJAKMHQBW-UHFFFAOYSA-N 210.074 2.548 0 50 BFAA Cc1ccc(C(=O)N[C@H](C)c2ccncc2)cc1 5636092 JFWUTLKQFUMAID-GFCCVEGCSA-N 240.306 2.881 0 50 BFAA Cc1cccc2c(=O)oc(-c3ccncc3)nc12 12421346 FUQYJXHIAMPGJO-UHFFFAOYSA-N 238.246 2.558 0 50 BFAA Oc1ccc(Br)cc1-c1ncc[nH]1 38953899 BZCSFHRLFIGHOR-UHFFFAOYSA-N 239.072 2.545 0 50 BFAA CC(C)Sc1ncc(Br)cn1 40544533 PCQRYZDHZZKNBI-UHFFFAOYSA-N 233.134 2.740 0 50 BFAA in-vitro COC(=O)c1cccc(-c2cc(F)ccc2C)n1 97757385 XPLKVYNBEHYXFO-UHFFFAOYSA-N 245.253 2.983 0 50 BFAA O=Cc1c(Cl)cc(C(=O)O)cc1Cl 138128424 KNZHVHRJCNWQKI-UHFFFAOYSA-N 219.023 2.504 0 50 BFAA in-vitro COC(=O)c1ccc(-c2ccnc(Cl)n2)cc1 140314268 COCUEUVOGCFSMB-UHFFFAOYSA-N 248.669 2.584 0 50 BFAA O=C1CCCC[C@@H]1Oc1ccc(F)cc1 199224169 WAROXPGTACBWCD-LBPRGKRZSA-N 208.232 2.716 0 50 BFAA CCC(=O)N1CCCCc2sccc21 225496092 WPQRGKBGECWIEQ-UHFFFAOYSA-N 209.314 2.827 0 50 BFAA C1=CO[C@@H](CN[C@H]2CCC23CCCC3)CC1 309655944 ZHPMGCSPWZXOPE-OLZOCXBDSA-N 221.344 2.992 0 50 BFAA O=C(N[C@@H]1C=CCCC1)C1Cc2ccccc2C1 336293713 UJSINBXEIMNFRL-OAHLLOKOSA-N 241.334 2.626 0 50 BFAA COc1cc(C)cc(OC)c1-c1ncccc1O 426689276 PAVVNAMCGNNVHT-UHFFFAOYSA-N 245.278 2.780 0 50 BFAA CC[C@H](C)CN1CCc2nc[nH]c2C12CCC2 685943394 LMKKDXDCGZNBTN-NSHDSACASA-N 233.359 2.693 0 50 BFAA CCc1csc(NCc2nc(C)c(C)[nH]2)n1 1338084649 PKKMMJHEYLUJOU-UHFFFAOYSA-N 236.344 2.658 0 50 BFAA C=CC(=O)N1CC[C@@H](c2ccccc2)O[C@H](C)C1 1776007130 JGMOYYVCKUFJHK-OCCSQVGLSA-N 245.322 2.551 0 50 BFAA Cc1cc(NC(=O)N2CCC[C@@H]3C[C@@H]32)cnc1C 1875297172 FNEKBTUNWUMBLM-YPMHNXCESA-N 245.326 2.715 0 50 BFAA CCOc1ccc(C(=O)Nc2cc(C)on2)cc1 31636 CKONODUUMMUNGA-UHFFFAOYSA-N 246.266 2.634 0 50 BFAA Oc1ccc(Cl)cc1Br 404310 ZIYRDJLAJYTELF-UHFFFAOYSA-N 207.454 2.808 0 50 BFAA in-vitro NCc1nc(-c2ccccc2Cl)cs1 3709647 VNWIUBHRAAEOMI-UHFFFAOYSA-N 224.716 2.922 0 50 BFAA COC(=O)c1ccc(OCCC(C)C)cc1 3880948 ULKCRLYLWOPDGY-UHFFFAOYSA-N 222.284 2.898 0 50 BFAA in-vitro Cc1ccc(C(=O)NC2CC2)cc1Cl 4868888 DZNUBUQZHVWWEE-UHFFFAOYSA-N 209.676 2.541 0 50 BFAA O=C1CCCc2n[nH]c(-c3ccc(F)cc3)c21 5129556 CFTORZQBDYFLNR-UHFFFAOYSA-N 230.242 2.735 0 50 BFAA O=C(c1ccc(F)cc1)[C@H](O)c1ccc(F)cc1 6093244 VGZHWXAFILGMSR-CYBMUJFWSA-N 248.228 2.881 0 50 BFAA O=C(Nc1cnccn1)Nc1ccccc1Cl 6727187 OCBZOEJCKOSZOR-UHFFFAOYSA-N 248.673 2.774 0 50 BFAA O[C@@H]1CCCC[C@@H]1n1cnc2ccccc21 12323768 VUBLCPRAFDAFRO-QWHCGFSZSA-N 216.284 2.512 0 50 BFAA CC(=O)c1cc(C)c(Br)cc1O 12359527 BPQABGQSVOUODJ-UHFFFAOYSA-N 229.073 2.666 0 50 BFAA O=C(Cc1ccccc1Cl)N1CCCC1 16579979 GIRRCIOEHBUPMX-UHFFFAOYSA-N 223.703 2.505 0 50 BFAA CCN(CC)CCN(C)Cc1ccccc1F 19636023 AWFLSAKZHPWKOU-UHFFFAOYSA-N 238.350 2.599 0 50 BFAA CCn1cc(CNC2CC2)c2ccccc21 20935184 IMMLEXCKCBDKBM-UHFFFAOYSA-N 214.312 2.913 0 50 BFAA Oc1cc2cccc(Br)c2cn1 31777163 IVDPIQOKPLLJPF-UHFFFAOYSA-N 224.057 2.703 0 50 BFAA COc1ccc([C@H](CC(C)C)NC(C)=O)cc1 33359578 OLQXSIIRAKRIJZ-AWEZNQCLSA-N 235.327 2.919 0 50 BFAA COC(=O)c1cccc(C(F)(F)F)c1C 47202426 KFJGSNVBDYRBAD-UHFFFAOYSA-N 218.174 2.800 0 50 BFAA in-vitro Cn1nc2cc(Br)ccc2c1Cl 95709705 GTEXMOAFZRRHAA-UHFFFAOYSA-N 245.507 2.989 0 50 BFAA in-vitro Nc1cccc2sc(Br)nc12 95950005 BFSAWMAUOZAYGX-UHFFFAOYSA-N 229.102 2.641 0 50 BFAA Cc1csc(Cc2nc(C)cs2)n1 156855881 DZPDEFMTQJQHEX-UHFFFAOYSA-N 210.327 2.807 0 50 BFAA C/C(=C/c1ccc2c(c1)CCC2)[N+](=O)[O-] 170623901 ROWUDDDPYPRQIR-CLFYSBASSA-N 203.241 2.813 0 50 BFAA C[C@@H](CC1CC1)Nc1cccc(CO)c1 183867601 ITAHBKOKASWWDB-JTQLQIEISA-N 205.301 2.779 0 50 BFAA Cc1ccc([C@]2(O)[C@@H]3[C@@H]4[C@@H]5[C@@H]6C[C@H]4[C@H]3[C@@H]6[C@@H]52)cc1 248118489 WHYBBQKFUVQAIC-GWKIAGMKSA-N 238.330 2.570 0 50 BFAA O[C@@H]1CCC[C@@H](n2ccnc2-c2ccco2)C1 1875243634 PYWCHXVPBHHCHA-GHMZBOCLSA-N 232.283 2.619 0 50 BFAA O=Cc1cncc(-c2ccc3nsnc3c2)c1 1875388224 ROXBBVWAVXVAGV-UHFFFAOYSA-N 241.275 2.566 0 50 BFAA Cc1ccc(C(=O)Nc2ccc(C(=O)O)cc2)o1 90815 SSPRMENQOZXMAD-UHFFFAOYSA-N 245.234 2.539 0 50 BFAA CC(=O)Nc1ccccc1OC(F)(F)F 128900 KZBHIVIJYKKLHL-UHFFFAOYSA-N 219.162 2.544 0 50 BFAA in-vitro O=C(O)CSc1cccc(C(F)(F)F)c1 131941 YBUZSRSMQIEFBR-UHFFFAOYSA-N 236.214 2.882 0 50 BFAA Cc1ccc(C(=O)O)cc1-c1ccc(C=O)o1 459741 KOCXJZFYVLACQC-UHFFFAOYSA-N 230.219 2.766 0 50 BFAA CCOc1ccccc1-n1cccc1C=O 1527089 KWROACBOPWXYBZ-UHFFFAOYSA-N 215.252 2.689 0 50 BFAA in-vitro CCOCCOC(=O)Nc1c(C)cccc1C 2172137 HTRGJMNAQGSNDP-UHFFFAOYSA-N 237.299 2.888 0 50 BFAA OCCc1ccc(OCc2ccccc2)cc1 2566174 JCUJAHLWCDISCC-UHFFFAOYSA-N 228.291 2.800 0 50 BFAA in-vitro Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2C)o1 2772583 TWUALTHVBQUTBA-KOLCDFICSA-N 221.300 2.897 0 50 BFAA CCc1ccccc1NC(=O)NC[C@@H]1CCCO1 6725520 DMRNERYPMNBQJT-LBPRGKRZSA-N 248.326 2.550 0 50 BFAA COC(=O)[C@H](C)Oc1c(Cl)cccc1Cl 6763241 XYYWAIIUSAQRSP-LURJTMIESA-N 249.093 2.934 0 50 BFAA in-vitro CC(=O)Nc1nc2cc(C)ccc2s1 9028475 QDBLIUWHWYHVSB-UHFFFAOYSA-N 206.270 2.563 0 50 BFAA CCc1c(C(=O)NC(C)C)csc1C 13329688 MFOBZCPSDJWCNK-UHFFFAOYSA-N 211.330 2.757 0 50 BFAA Sc1nnc(-c2cc3ccccc3o2)o1 15019911 XTDBHDMLDUGSMY-UHFFFAOYSA-N 218.237 2.772 0 50 BFAA in-vitro NCCN(Cc1ccccc1)Cc1ccccc1 20654132 ACTNHJDHMQSOGL-UHFFFAOYSA-N 240.350 2.648 0 50 BFAA c1ccc2c(c1)CC[C@@H]2N[C@@H]1CCCOCC1 86869895 BPAQMNOJPQXUMK-HIFRSBDPSA-N 231.339 2.833 0 50 BFAA O=C(OCc1ccccc1)N1CC=C[C@H](F)C1 95644184 WERNXLLMQDGBRF-LBPRGKRZSA-N 235.258 2.533 0 50 BFAA in-vitro CCCCNC[C@H]1COc2ccc(C)cc2C1=O 96026745 DKFPOUIPSIKILX-LBPRGKRZSA-N 247.338 2.576 0 50 BFAA CC(C)CCN[C@@H]1CCO[C@@H](C2CC2)C1 190812697 KALUNJYWZKDFDO-CHWSQXEVSA-N 211.349 2.580 0 50 BFAA FC(F)Oc1cc(C(F)(F)F)ccn1 216170237 CIMBPICIHTZGRO-UHFFFAOYSA-N 213.105 2.702 0 50 BFAA in-vitro Brc1cccc2c1OCCCO2 216379621 OWYMCSQGVYEEKF-UHFFFAOYSA-N 229.073 2.610 0 50 BFAA FC(F)(F)c1[nH]nc2cc(Cl)ncc12 218528502 FICNSZCHYFKLLD-UHFFFAOYSA-N 221.569 2.630 0 50 BFAA COc1ccc2c(c1)[C@H]1[C@H]3[C@H]4[C@@H]1[C@@H]1[C@@H]2[C@@H]3[C@@H]41 247912621 ACYLUOJGJPYKPD-CGVMYLDHSA-N 210.276 2.628 0 50 BFAA C[C@H]1CC[C@@H](C)N(c2ncnc3[nH]ccc23)C1 266426282 BUKPPXDFLRKBLN-VHSXEESVSA-N 230.315 2.583 0 50 BFAA Cc1cc(NC(=O)/C=C/C2CC2)cnc1C 893815291 SCWKMEYGFWWLQC-AATRIKPKSA-N 216.284 2.603 0 50 BFAA C=CC(=O)N[C@H](Cc1ccccc1)C(C)C 1120554581 SMOXSPNFFILOIV-CYBMUJFWSA-N 217.312 2.556 0 50 BFAA CC(C)(C)c1ccc(N2C(=O)CCC2=O)cc1 31535 OMZGRADPBIJTNO-UHFFFAOYSA-N 231.295 2.638 0 50 BFAA Cn1c(C(=O)c2ccccc2)nc2ccccc21 41751 QFUHUTCCVCLTIX-UHFFFAOYSA-N 236.274 2.804 0 50 BFAA Cc1ccc(C(=O)NCc2ccco2)cc1C 265823 MHXQBTZYFRJIGC-UHFFFAOYSA-N 229.279 2.826 0 50 BFAA CCN1CCC(N2CCCCCCC2)CC1 279498 PUGIXNCXHWNUKQ-UHFFFAOYSA-N 224.392 2.737 0 50 BFAA O=Cc1ccc2c3c(onc13)-c1ccccc1C2=O 280862 GBYOLJMDDILZQQ-UHFFFAOYSA-N 249.225 2.852 0 50 BFAA Cc1cccc(C)c1OCCn1ccnc1 431878 GNGQXBOGOGYWDJ-UHFFFAOYSA-N 216.284 2.579 0 50 BFAA CC(C)(C)c1ccc(C(=O)n2cccn2)cc1 475613 WBDAZWSZXQTHIQ-UHFFFAOYSA-N 228.295 2.869 0 50 BFAA O=C(O)/C=C/c1cccc(Cl)c1F 2575002 OJNDJHBNODEMSG-SNAWJCMRSA-N 200.596 2.577 0 50 BFAA O=Cc1ccccc1OC(F)(F)C(F)F 2579175 XYNDDBJXUBHBOI-UHFFFAOYSA-N 222.137 2.736 0 50 BFAA CCOCCCNCc1ccc(C)s1 2874451 DXRUIIWRBICHFT-UHFFFAOYSA-N 213.346 2.573 0 50 BFAA in-vitro CNCCC(O)(c1ccccc1)c1ccccc1 3080592 HRWCYSMUGQYSMJ-UHFFFAOYSA-N 241.334 2.532 0 50 BFAA Cc1cc(N)n(-c2cccc(Cl)c2C)n1 8549382 VGSFUVVFIWXSMU-UHFFFAOYSA-N 221.691 2.725 0 50 BFAA FC(F)(F)c1cccc(OC2CCNCC2)c1 8699544 BYJVBLFZMKBFMT-UHFFFAOYSA-N 245.244 2.836 0 50 BFAA in-vitro CCN(CC)CCN(C)Cc1ccccc1C 19636155 OBBGDXHWSHTUSY-UHFFFAOYSA-N 234.387 2.769 0 50 BFAA Nc1ccc2ccc(Br)cc2n1 40435290 VKPJHDQCHZUELB-UHFFFAOYSA-N 223.073 2.580 0 50 BFAA in-vitro Brc1cccc([C@H]2NCCS2)c1 52957243 HCHIGNRMHLIEIN-VIFPVBQESA-N 244.157 2.784 0 50 BFAA C[C@H](Nc1ccc2cc[nH]c2n1)c1ccncn1 72165614 PVMALLKLEGGDKU-VIFPVBQESA-N 239.282 2.526 0 50 BFAA O=C(NC1CC(F)(F)C1)OCc1ccccc1 96032460 JVCRFAWXMWHWSR-UHFFFAOYSA-N 241.237 2.711 0 50 BFAA Nc1cnc2cc(C(F)(F)F)ccc2c1 141606529 WJDZHQFNKGWFSG-UHFFFAOYSA-N 212.174 2.836 0 50 BFAA in-vitro CCc1cccc(N[C@H]2CCCNCC2)c1 168705754 XJTNIPPVGJURKY-ZDUSSCGKSA-N 218.344 2.803 0 50 BFAA O=Cc1c(O)ccc(Br)c1Cl 169795957 QIRQIWLATSBYCV-UHFFFAOYSA-N 235.464 2.621 0 50 BFAA Fc1cnc(Br)cc1C(F)F 238610612 VGYQVXAANOYVQY-UHFFFAOYSA-N 225.995 2.921 0 50 BFAA Cc1c(Cl)cc(CC(=O)O)cc1Cl 263624591 RUUDEZRXPBGKHQ-UHFFFAOYSA-N 219.067 2.929 0 50 BFAA FC(F)c1nnc(N2C[C@@H]3CCC[C@H]3C2)s1 336499384 WDDIDEUBWPAWJM-BQBZGAKWSA-N 245.298 2.712 0 50 BFAA COc1ccc(-c2cc(CNC(C)C)[nH]n2)cc1 725264744 SXJFDOJZIXQYHT-UHFFFAOYSA-N 245.326 2.583 0 50 BFAA C=CC(=O)Nc1ccn(C2CCCCC2)n1 888098444 HAYJHTPCVGVHIC-UHFFFAOYSA-N 219.288 2.513 0 50 BFAA CCc1ccccc1OCC(=O)N[C@@H](C)CC 131465 DMNYRRSCRMMRHM-NSHDSACASA-N 235.327 2.543 0 50 BFAA CCc1ccccc1NC(=O)CSC 149895 OATHXQSBIWSWCJ-UHFFFAOYSA-N 209.314 2.551 0 50 BFAA CC(C)(C)[C@@H](Cc1ccccc1)C(=O)O 161366 UKWWMMXKMDNJEM-NSHDSACASA-N 206.285 2.976 0 50 BFAA in-vitro C[C@H]1C[C@@H](OC(=O)c2ccccc2)CC(C)(C)N1 319774 ZYHGIAPHLSTGMX-WCQYABFASA-N 247.338 2.763 0 50 BFAA biogenic,in-man CCOc1ccc(C(=O)NC2CCCC2)cc1 438096 HXGRRQDYAWDZCN-UHFFFAOYSA-N 233.311 2.758 0 50 BFAA COc1ccc(Cl)cc1-n1cccc1C=O 1527084 TYXXTANTXDFBOK-UHFFFAOYSA-N 235.670 2.952 0 50 BFAA CCOC(=O)CN(CC)[C@@H](C)c1ccccc1 2472422 KOZZIUOGTQUPMY-LBPRGKRZSA-N 235.327 2.633 0 50 BFAA CC[C@H](Sc1nc2ccccc2o1)C(=O)O 4727858 TYFJBPZESNTBKK-VIFPVBQESA-N 237.280 2.783 0 50 BFAA CCCCS(=O)(=O)NC1CCCCCCC1 6700149 RYEZCYUIKJKZKA-UHFFFAOYSA-N 247.404 2.819 0 50 BFAA Cc1ccc2c(c1C)OC(C)(C)C[C@H]2O 11568142 WPINEGROAATYJN-LLVKDONJSA-N 206.285 2.898 0 50 BFAA CC(C)n1c([C@@H](C)N)nc2ccccc21 12484732 DINKAAJNPJWPAK-SECBINFHSA-N 203.289 2.637 0 50 BFAA in-vitro COc1ccc2c(c1)OCc1cnc(=S)[nH]c1-2 40450024 MCUNWMMIXCXPFA-UHFFFAOYSA-N 246.291 2.707 0 50 BFAA Cc1ccn2cc(C(F)(F)F)nc2c1 79065533 NDSVXSIFMFVDRJ-UHFFFAOYSA-N 200.163 2.662 0 50 BFAA CCN1C(=O)CC(C)=Nc2ccccc21 100898116 MKPHFQQOSJZPQD-UHFFFAOYSA-N 202.257 2.536 0 50 BFAA O=C(c1ccc[nH]1)N1CCC[C@@]2(CC=CCC2)C1 114434787 DCJGBNVBOKZDNH-HNNXBMFYSA-N 244.338 2.977 0 50 BFAA CC(C)(C)OC(=O)[C@H](N)CC1CCCCC1 116930963 BFHYVCSFGFKQIG-LLVKDONJSA-N 227.348 2.626 0 50 BFAA COC(=O)Cc1cc(Cl)cc(Cl)c1 117388298 ZKVZUSKNUTWXHC-UHFFFAOYSA-N 219.067 2.709 0 50 BFAA in-vitro CC1(C(=O)Nc2cccc(-n3ccnc3)c2)CC1 123612056 LONWMZGAPDDNPW-UHFFFAOYSA-N 241.294 2.611 0 50 BFAA C[C@H](Cn1nnnc1C(C)(C)C)c1ccccc1 128071324 MLZOCHLCQNRTDC-LLVKDONJSA-N 244.342 2.774 0 50 BFAA C[C@H](N[C@H]1CCC[C@H]1CO)c1ccccc1F 245339216 RGZVTHKOFJMHRZ-MJVIPROJSA-N 237.318 2.637 0 50 BFAA FC(F)[C@@H]1CCCN1Cc1ccccc1 353184378 AUPVWROWIWNYSY-NSHDSACASA-N 211.255 2.916 0 50 BFAA CC/C(C)=C/CCN1CCc2nc(C)[nH]c2C1 670447938 MIGUPDDARIEVIY-IZZDOVSWSA-N 233.359 2.823 0 50 BFAA CCCCC(=O)c1nc(C2OCCO2)cs1 757123886 KSPARGGAUCWSKM-UHFFFAOYSA-N 241.312 2.561 0 50 BFAA C=CC(=O)N(C)[C@H]1C[C@H](c2ccccc2)C1 1875369142 SUEFKKOJQQNVLX-JOCQHMNTSA-N 215.296 2.577 0 50 BFAA C=CC(=O)Nc1ccc2nc(CCC)oc2c1 2069391526 HMAGIQRHFFCJRO-UHFFFAOYSA-N 230.267 2.905 0 50 BFAA CCOc1ccc(NC(=O)c2ccco2)cc1 102764 QHQMTIZGRHMXQJ-UHFFFAOYSA-N 231.251 2.931 0 50 BFAA Cc1ccc(-c2nc3ncccc3o2)cc1N 262399 WGTVXCWMSWDXMG-UHFFFAOYSA-N 225.251 2.780 0 50 BFAA Brc1cncnc1-c1ccccc1 331212 SDPYFZLDWYNXJF-UHFFFAOYSA-N 235.084 2.906 0 50 BFAA in-vitro COc1ccc(Br)c(C)c1OC 345719 JDIYVHQIOHSCQG-UHFFFAOYSA-N 231.089 2.775 0 50 BFAA O[C@]1(c2ccccc2)CCOc2ccccc21 400326 PKMBLSGNHNQTPT-HNNXBMFYSA-N 226.275 2.705 0 50 BFAA Cc1ccc(NC(=O)c2cccc(C)c2)nc1 438745 YZHXVZGBFBEYAD-UHFFFAOYSA-N 226.279 2.951 0 50 BFAA Cc1cccc(CNC(=O)c2ccccc2N)c1 1049483 BRZWUEDKXGVXDV-UHFFFAOYSA-N 240.306 2.507 0 50 BFAA COC(CCCCCCC(OC)OC)OC 1693234 TXGHOSDIGLWWFE-UHFFFAOYSA-N 234.336 2.565 0 50 BFAA Cc1ccc(-c2c(C)sc(N)c2C(N)=O)cc1 2597435 CIWIUBJZKACEOO-UHFFFAOYSA-N 246.335 2.713 0 50 BFAA O=C(Nc1cc(F)ccc1F)C1CCC1 2871993 KFCOJEGSLYYWHE-UHFFFAOYSA-N 211.211 2.703 0 50 BFAA C[C@@H](CC(=O)O)c1c[nH]c2ccccc12 4294564 IKTJMKYSKNYTJM-QMMMGPOBSA-N 203.241 2.746 0 50 BFAA in-vitro C[C@H]1CCCCN1Cc1nc2ccccc2n1C 4386058 CPCJRACHMCFXKA-LBPRGKRZSA-N 243.354 2.948 0 50 BFAA CCC(=O)Nc1cccc2ncccc12 5027964 OQXCBWHGIFXWRU-UHFFFAOYSA-N 200.241 2.583 0 50 BFAA O=C(Cc1ccccc1Cl)Nc1cccnc1 5898595 LZXAQBMRNVMKJW-UHFFFAOYSA-N 246.697 2.916 0 50 BFAA CCC[C@H](Oc1ccc(Cl)cc1)C(=O)O 5952175 CBGZZDWFWLXZEU-JTQLQIEISA-N 228.675 2.972 0 50 BFAA in-vitro Cc1ccc(C)c(O[C@@H](C)C(=O)NC(C)(C)C)c1 13710116 YPELQVOIZISWPE-LBPRGKRZSA-N 249.354 2.985 0 50 BFAA Oc1cccc2ncc(C(F)(F)F)cc12 59870935 WITKYAAQTYOHMS-UHFFFAOYSA-N 213.158 2.959 0 50 BFAA COc1ccc2c(C)c(C(C)=O)oc2c1OC 64220079 OWJSEHWMORRCGO-UHFFFAOYSA-N 234.251 2.961 0 50 BFAA CN1[C@H]2C=C(c3cccc(Cl)n3)C[C@H]1CC2 100049797 ZTPVMGZWOVVRRQ-GHMZBOCLSA-N 234.730 2.985 0 50 BFAA CCC(=O)[C@H](C)C(=O)c1ccccc1F 168124368 XNKLVJXOCLEXQO-QMMMGPOBSA-N 208.232 2.624 0 50 BFAA COCCCSCc1csc(C)n1 195571489 IOFLGLXFGVCURD-UHFFFAOYSA-N 217.359 2.721 0 50 BFAA CC1(C)C(c2nnc([C@@H]3CCOC3)o2)C1(C)C 299743245 MQCBLGANDLRTMW-MRVPVSSYSA-N 236.315 2.723 0 50 BFAA O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1ccccn1 302222137 MWCLCNIVCHYQNV-SDDRHHMPSA-N 230.311 2.846 0 50 BFAA C[C@@H](NCc1ccsc1)[C@H]1CCCOC1 309161656 ZIPMEWPTKHTKNQ-PWSUYJOCSA-N 225.357 2.653 0 50 BFAA C/C(=C(/F)C(=O)Nc1ccc(O)cc1)C1CC1 585134357 PDEHIUYBAWKASM-WQLSENKSSA-N 235.258 2.984 0 50 BFAA Cn1nc2c(c1-c1ccccc1O)CCCC2 686059264 NUHHUNKUCFQZFS-UHFFFAOYSA-N 228.295 2.672 0 50 BFAA O=C(Nc1nccs1)c1c(F)cccc1F 53071 YBWYCZLRGBKSPS-UHFFFAOYSA-N 240.234 2.674 0 50 BFAA Nc1ccc2c(c1)OC1(CCCCC1)O2 128405 ZGUHEEOHWIVGOA-UHFFFAOYSA-N 205.257 2.700 0 50 BFAA in-vitro O=S(=O)(c1ccccc1)c1ccccc1 154638 KZTYYGOKRVBIMI-UHFFFAOYSA-N 218.277 2.519 0 50 BFAA biogenic,in-vitro Oc1ccccc1-c1nc2ccccc2[nH]1 166610 XWXMGTIHBYFTIE-UHFFFAOYSA-N 210.236 2.936 0 50 BFAA in-vitro Cc1cc2nc(C[n+]3ccccc3)[nH]c2cc1C 337454 ZURNZRPGNCQVIJ-UHFFFAOYSA-N 238.314 2.516 0 50 BFAA O=C(Nc1cccc(Cl)c1)Nc1ncccn1 369371 LQRAHKARGZOZSN-UHFFFAOYSA-N 248.673 2.774 0 50 BFAA biogenic Cc1nc(NC(=O)c2ccoc2C)sc1C 473781 CXQAUQSQAHQMFZ-UHFFFAOYSA-N 236.296 2.914 0 50 BFAA COc1cc2c(cc1OC)C(C)=NC(C)(C)C2 2055021 GHDJZAVHDPGMGK-UHFFFAOYSA-N 233.311 2.848 0 50 BFAA biogenic O=Cc1ccc(C(F)(F)F)c(F)c1F 2560150 RQXOWNQOFWLPSV-UHFFFAOYSA-N 210.101 2.796 0 50 BFAA in-vitro C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)O 4201342 NWUQBIJTVNMDKJ-RXMQYKEDSA-N 235.066 2.845 0 50 BFAA CCC(=O)c1ccccc1OCCn1ccnc1 4842215 OTHQVLLHUXACTD-UHFFFAOYSA-N 244.294 2.555 0 50 BFAA Cc1nnc(-c2ccccc2-c2cc[nH]n2)s1 20601359 QRWYCECJXYOHHW-UHFFFAOYSA-N 242.307 2.904 0 50 BFAA C[C@@H]1Cc2cc(-c3ccno3)ccc2O1 36367084 KYNVBKQBBUJVNS-MRVPVSSYSA-N 201.225 2.665 0 50 BFAA CC(C)(C)OC(=O)Nc1ccc2cc[nH]c2n1 66054463 WRNKMGRTVONKFM-UHFFFAOYSA-N 233.271 2.910 0 50 BFAA in-vitro CCCCNC(=O)Cc1ccc(CC)cc1 71376283 CJOLIXDGXHVULG-UHFFFAOYSA-N 219.328 2.708 0 50 BFAA CCn1nc(C)c(Br)c1Cl 71773260 NOUZWZAAFWRHJJ-UHFFFAOYSA-N 223.501 2.627 0 50 BFAA CCC(=O)N[C@H](CC)c1ccccc1C 72117635 XDQNLHZZDOVRCZ-GFCCVEGCSA-N 205.301 2.972 0 50 BFAA CC1=CC[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2C1 100589639 LLSPPAAEVAOBTN-CHWSQXEVSA-N 247.338 2.660 0 50 BFAA CCOC(=O)c1nc(Cl)nc2ccsc12 145369185 CBZDCLKMFFKYCC-UHFFFAOYSA-N 242.687 2.521 0 50 BFAA Oc1nc(C(F)F)nc2ccc(Cl)cc12 242750483 ZOJNZBCZKVYAFX-UHFFFAOYSA-N 230.601 2.926 0 50 BFAA in-vitro CC(=O)N1CCC[C@@H]1C[C@@H]1C[C@H]2CC[C@H]1C2 245382403 IYUBLALZUNSGLM-XDQVBPFNSA-N 221.344 2.824 0 50 BFAA Cc1cc(O)cc(C)c1C(=O)OC(C)(C)C 253496096 DEURLQHZYGMLBV-UHFFFAOYSA-N 222.284 2.964 0 50 BFAA CCN(CCC1CC1)c1ncnc2[nH]ccc12 354590326 UNJCFMMCKLGIFL-UHFFFAOYSA-N 230.315 2.584 0 50 BFAA O=C(Nc1cccc2c[nH]nc12)C1[C@@H]2CCC[C@@H]12 408334546 PCEHNKLUKOGGOF-NXEZZACHSA-N 241.294 2.548 0 50 BFAA CC(=O)c1c(-c2cc(C)ccc2F)cnn1C 426578523 BYPASNNWSHIWIK-UHFFFAOYSA-N 232.258 2.737 0 50 BFAA Cc1[nH]c(C(=O)O)cc1-c1ccnc2[nH]ccc12 534661930 ZGCBMSHCRFYVFY-UHFFFAOYSA-N 241.250 2.565 0 50 BFAA Cc1nc(CN(C)C[C@@H]2CC2(C)C)n(C)c1C 584901208 PKINSFRUFJPSPT-LBPRGKRZSA-N 235.375 2.515 0 50 BFAA C[C@@H](O)c1ccc(F)cc1N1CCCCC1 669369597 BSPDWGQBTZBROG-SNVBAGLBSA-N 223.291 2.869 0 50 BFAA O=C(Nc1ccc(F)nc1)[C@]12CCCC[C@@H]1C2 693229623 KIADMWVFIXPGAY-RNCFNFMXSA-N 234.274 2.740 0 50 BFAA Oc1cc(-c2nc(-c3ccccc3)no2)ccn1 904239351 NRULMWOPWXSHKS-UHFFFAOYSA-N 239.234 2.504 0 50 BFAA O=C(O)[C@@]1(c2ccccc2)C[C@@H]1C(F)(F)F 1772716128 RAVYEAGUSRNANS-WCBMZHEXSA-N 230.185 2.591 0 50 BFAA c1ncc(-c2nc([C@@H]3CCCCO3)cs2)[nH]1 2325767038 HJNMOLUIKCFICH-JTQLQIEISA-N 235.312 2.775 0 50 BFAA O=C(OCC1CC1)c1snc2ccccc12 2325779423 BHYWTPFOOMVDEI-UHFFFAOYSA-N 233.292 2.863 0 50 BFAA CCC/C=C/c1cnc2c(OC)nccn12 2356157434 KMMSJMZUJIFEKJ-AATRIKPKSA-N 217.272 2.551 0 50 BFAA CCCN(CCC)C(=O)c1ccc(OC)cc1 29527 JBHQSYJVSKDCNK-UHFFFAOYSA-N 235.327 2.957 0 50 BFAA Fc1ccc(I)c(F)c1 389789 YKLDMAPEGQYZRT-UHFFFAOYSA-N 239.990 2.569 0 50 BFAA in-vitro O=C(O[C@H]1C=CCCC1)c1ccccc1 405123 APZIYLKXAJJSIZ-LBPRGKRZSA-N 202.253 2.952 0 50 BFAA O=C(O)c1cccc(F)c1C(F)(F)F 2382257 CDGGKKODENBDJO-UHFFFAOYSA-N 208.110 2.543 0 50 BFAA in-vitro Nc1cc(Br)c2cc[nH]c2c1 2383975 HVFXXSXTSLTPRS-UHFFFAOYSA-N 211.062 2.513 0 50 BFAA in-vitro COc1ccc(OCCCN2CCCCC2)cc1 2486289 ZQRGMIYVLQKFFW-UHFFFAOYSA-N 249.354 2.950 0 50 BFAA Cc1ccc(/C=C\c2cccc[n+]2C)cc1 4582335 ZYOKBVURURGGFQ-KHPPLWFESA-N 210.300 2.990 0 50 BFAA Cc1[nH]ccc(=O)c1OCc1ccc(Cl)cc1 8615088 AIKKJZVAUWDTKS-UHFFFAOYSA-N 249.697 2.916 0 50 BFAA COC(=O)c1cncc(-c2ccc(F)cc2)c1 16946644 RKCFLSMVFNQWHR-UHFFFAOYSA-N 231.226 2.674 0 50 BFAA in-vitro CCOc1ccc(C=O)c2c1CCCC2 19735460 BONUTBXJGDBKSM-UHFFFAOYSA-N 204.269 2.777 0 50 BFAA CCOCCc1nc(-c2cccc(C)c2C)no1 20536381 RNJKQGCZXVQRIL-UHFFFAOYSA-N 246.310 2.932 0 50 BFAA C[C@@H]1CNc2ccc(Br)cc2O1 62529555 UOPSIXDWTXOYCJ-ZCFIWIBFSA-N 228.089 2.642 0 50 BFAA in-vitro COC(OC)c1c(Cl)cnc2[nH]ccc12 66054268 WVGJKUQSSTUXRQ-UHFFFAOYSA-N 226.663 2.508 0 50 BFAA CCCCc1nnc(-c2ccc(C=O)cc2)o1 71789966 VKYAZDXRAUCPES-UHFFFAOYSA-N 230.267 2.892 0 50 BFAA in-vitro CCOC(=O)c1cc2ccccc2cc1O 100019901 CVEOWBRXZJEZRQ-UHFFFAOYSA-N 216.236 2.722 0 50 BFAA in-vitro CCCCc1nnc2n1-c1ccccc1CC2 141690337 CSWDFPMAAKIFEX-UHFFFAOYSA-N 227.311 2.709 0 50 BFAA CC[C@H](C)C(=O)N(c1ccccc1)[C@H]1CCOC1 192079487 LUNLGNSYNGEFEE-JSGCOSHPSA-N 247.338 2.855 0 50 BFAA CC(C)c1[nH]nc2cncc(Br)c12 203702166 FPLWCRFDYZQUJC-UHFFFAOYSA-N 240.104 2.844 0 50 BFAA Nc1cc(Cl)ccc1C(=O)[C@@H]1CCCOC1 225020614 VALKJXLEEVOACY-MRVPVSSYSA-N 239.702 2.532 0 50 BFAA in-vitro Fc1ccc2ncnc(N3C[C@H]4CC[C@H]3C4)c2c1 301061683 CAEJPFNTSKLSNU-ONGXEEELSA-N 243.285 2.758 0 50 BFAA O=C(NNc1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2 302858746 TVKGWYCIGNIQQM-GVXVVHGQSA-N 230.311 2.566 0 50 BFAA NCc1ccc(-c2ccc(-n3cccn3)cc2)cc1 426425167 GYOYZCJUNQYQFN-UHFFFAOYSA-N 249.317 2.998 0 50 BFAA c1csc(-c2nccn2CCc2cc[nH]n2)c1 1875242086 MYRCAMQFBCNABK-UHFFFAOYSA-N 244.323 2.577 0 50 BFAA C=C(C(=O)Nc1ccccc1)c1cccnc1 1875328914 SAMABBIQJZLRPK-UHFFFAOYSA-N 224.263 2.734 0 50 BFAA CCOC(=O)c1ccccc1Br 162646 BIHHBTVQFPVSTE-UHFFFAOYSA-N 229.073 2.626 0 50 BFAA c1ccc2c(c1)ncn2CCN1CCCCC1 176115 LELPUNBOQMOIIH-UHFFFAOYSA-N 229.327 2.522 0 50 BFAA CC(C)CCOc1ccc(C(=O)O)cc1 292088 YNYYRDUFMDDJMV-UHFFFAOYSA-N 208.257 2.810 0 50 BFAA in-vitro Nc1ccc(Br)cc1Cl 388335 INMZDDDQLHKGPF-UHFFFAOYSA-N 206.470 2.685 0 50 BFAA in-vitro COc1ccc(Nc2nc(N)s[s+]2)cc1 4087922 KIDFLJAJULSCHD-UHFFFAOYSA-N 240.333 2.820 0 50 BFAA Cc1nc(-c2ccccc2Br)no1 4277413 WLLDZYVHNSXWSY-UHFFFAOYSA-N 239.072 2.808 0 50 BFAA S=C1NC2=C(CCC2)[C@@H](c2ccccc2)N1 5604244 ZXIJWZFGSVHPCH-GFCCVEGCSA-N 230.336 2.643 0 50 BFAA O=C(NCc1cccnc1)Nc1cccc(F)c1 6698990 SUDZGMVBHVXXKU-UHFFFAOYSA-N 245.257 2.542 0 50 BFAA O=C(O)c1cc(-c2cccc3ccccc23)[nH]n1 6740830 SVTCQQLUAZIZIW-UHFFFAOYSA-N 238.246 2.928 0 50 BFAA in-vitro Cc1cc2ccccc2cc1CN1CCOCC1 19642998 VSGQPQQLYRZFGM-UHFFFAOYSA-N 241.334 2.980 0 50 BFAA CC1CCC(NCc2ccccn2)CC1 19956965 PWPFLJWQMDHJHZ-UHFFFAOYSA-N 204.317 2.750 0 50 BFAA C[C@@H](C(=O)O)c1ccccc1Br 34413717 HAZQYHDLSHWBEF-ZCFIWIBFSA-N 229.073 2.637 0 50 BFAA in-vitro CC(C)(C)C(=O)NCCSC1CCCC1 40511054 KMZWQQSVFUADMR-UHFFFAOYSA-N 229.389 2.825 0 50 BFAA COc1cc(-c2ccc(O)cc2)ccc1C(=O)O 65349587 IVLMALSELBEMCC-UHFFFAOYSA-N 244.246 2.766 0 50 BFAA in-vitro c1cncc(CCCc2ccc3c(c2)OCO3)c1 91594927 YEHSYHBOUOKLGN-UHFFFAOYSA-N 241.290 2.986 0 50 BFAA CC1=C[C@H](C)[C@@]2(CO)CO[C@H](C(C)C)[C@H]1[C@@H]2C 103580720 BNAPJYMSXNSYQF-VQJWOFKYSA-N 238.371 2.868 0 50 BFAA c1cc(CNc2nc(C3CC3)ns2)co1 129585516 VDLZCOXALCKYIQ-UHFFFAOYSA-N 221.285 2.621 0 50 BFAA COc1ccc2c(n1)N[C@@H](c1ccccc1)CN2 134251363 RVEAONVZRPGGBY-GFCCVEGCSA-N 241.294 2.669 0 50 BFAA Oc1cc(F)c(Br)cc1Cl 170687951 DBZOBXATIIXRPE-UHFFFAOYSA-N 225.444 2.947 0 50 BFAA in-vitro CN1CCC(Cc2ccccc2F)CC1 199298075 AOYABMYLRXLBHT-UHFFFAOYSA-N 207.292 2.710 0 50 BFAA O=C(O)c1ccc(C2(C(F)(F)F)CC2)cc1 223516116 BAVKPLHRLZECNA-UHFFFAOYSA-N 230.185 2.979 0 50 BFAA Fc1cc(OC(F)F)cc(Br)n1 263624339 PLJFONYDZYYDPH-UHFFFAOYSA-N 241.994 2.585 0 50 BFAA CCCn1nccc1-c1cc(C)nc(CC)n1 426734206 APDWJLNLGNWSNK-UHFFFAOYSA-N 230.315 2.621 0 50 BFAA CC[C@@H](SC)c1nc(-c2nc(C)c[nH]2)no1 864096516 CCSFJWFNTNHUTN-SSDOTTSWSA-N 238.316 2.582 0 50 BFAA O=C(O)[C@H](c1ccccc1)[C@H](O)c1ccccc1 343611 SHLDFCNQGMQVSJ-ZIAGYGMSSA-N 242.274 2.588 0 50 BFAA Cc1ccc(NC(=O)C(F)F)c(Cl)c1 451612 LOXVCYDZADOSIF-UHFFFAOYSA-N 219.618 2.852 0 50 BFAA Cc1ccc(-c2nc3nc(C)cc(C)n3n2)cc1 529169 DDMCBXQCCISRAM-UHFFFAOYSA-N 238.294 2.717 0 50 BFAA Clc1ccc(SCCn2cncn2)cc1 618282 MHVJBBYWUJARCL-UHFFFAOYSA-N 239.731 2.724 0 50 BFAA CCc1c(-c2nnc(S)n2C)csc1C 2569140 MKEVRZYWAPDSQO-UHFFFAOYSA-N 239.369 2.703 0 50 BFAA COc1ccccc1-c1cccc(CC(=O)O)c1 2581003 AGFBLMOECRWVDT-UHFFFAOYSA-N 242.274 2.989 0 50 BFAA Cc1cccc(CSc2ncc(CO)n2C)c1 4003041 ZVKPVLPMNKSKGZ-UHFFFAOYSA-N 248.351 2.513 0 50 BFAA CCCNC(=O)c1ccc(NC(=O)CCC)cc1 4715503 JJIWXBHVXSUHLO-UHFFFAOYSA-N 248.326 2.565 0 50 BFAA CCOC(=O)[C@@H](NCC(C)C)c1ccccc1 37853300 PEJYAMCCFVSGGU-ZDUSSCGKSA-N 235.327 2.536 0 50 BFAA CCOC(=O)[C@@]1(C)C2=C(CCC2=O)CC[C@H]1C 45071819 ILALNAMAFMHOCC-YMTOWFKASA-N 236.311 2.645 0 50 BFAA C[C@@H]1CCC[C@@]2(C1)NC(=O)c1ccccc1N2 66128178 QFNGBFKANBGZQH-YGRLFVJLSA-N 230.311 2.748 0 50 BFAA COc1cc(Cl)c(Br)cc1O 82303149 VKLVRYBRBRMDCR-UHFFFAOYSA-N 237.480 2.817 0 50 BFAA O=C1CCC(O)(c2cccc(Cl)c2)CC1 84323117 FXIHJHPNEGAZFD-UHFFFAOYSA-N 224.687 2.671 0 50 BFAA in-vitro COC(=O)c1ccncc1-c1ccc(OC)cc1 97757064 WTFGCMXNBMFBTF-UHFFFAOYSA-N 243.262 2.544 0 50 BFAA O=C1CC[C@H]2C=C[C@H]1CC21SCCS1 101082126 YADDEVXVOJJDJJ-DTWKUNHWSA-N 226.366 2.718 0 50 BFAA Cc1cc(N)cc(NC(=O)OC(C)(C)C)c1 143567251 OLXCEFTWYYHFNJ-UHFFFAOYSA-N 222.288 2.924 0 50 BFAA Cc1cn2c(n1)CC[C@@H](NCCC(C)(C)C)C2 170087111 LWGONSIWQPHCDO-GFCCVEGCSA-N 235.375 2.532 0 50 BFAA CO[C@@H]1CCCN(CCCOc2ccccc2)C1 170820175 FOILAKBTSCEUNY-OAHLLOKOSA-N 249.354 2.566 0 50 BFAA O=c1cc(N2CCCCC2)c2ccccc2[nH]1 196780903 NUVNSRRZBLRJKE-UHFFFAOYSA-N 228.295 2.518 0 50 BFAA CC[C@@H](C)c1cc(C(=O)N2C[C@H]3CC[C@H]2C3)on1 246744183 FNHXCWKSCDJARJ-VWYCJHECSA-N 248.326 2.813 0 50 BFAA Brc1ncc(C2CCCC2)[nH]1 259010820 XRGBHZWTSGYEJR-UHFFFAOYSA-N 215.094 2.830 0 50 BFAA Cc1cc(N2CCO[C@H](C(C)(C)C)C2)ccn1 279350120 FLHHQPHJJQQJFA-ZDUSSCGKSA-N 234.343 2.641 0 50 BFAA O=Cc1cccc(-c2ccncc2F)c1F 394917998 PXULBMPKKUATRL-UHFFFAOYSA-N 219.190 2.839 0 50 BFAA c1cc(CNC2CSCCSC2)cs1 952960479 HBMXFKCLGWYDGQ-UHFFFAOYSA-N 245.438 2.686 0 50 BFAA COc1ccc(F)cc1-c1cnn(CCF)c1 1616036785 XWSFGWGDSWMQPA-UHFFFAOYSA-N 238.237 2.667 0 50 BFAA c1coc(Cn2ccnc2-c2nccs2)c1 1875246405 FROKKKYPSOAHTG-UHFFFAOYSA-N 231.280 2.648 0 50 BFAA FC1(F)C[C@H]1Cn1ccnc1-c1cnsc1 1875249863 GPRSGZYGLGAYBL-QMMMGPOBSA-N 241.266 2.662 0 50 BFAA C1=CN2C[C@@H](c3ccccc3)N=C2S1 44 UPMCDOMOBNMTPH-JTQLQIEISA-N 202.282 2.617 0 50 BFAA in-man Cc1ccc(C(=O)Nc2ccncc2)cc1 59338 GCFLVEVTCIKTNM-UHFFFAOYSA-N 212.252 2.642 0 50 BFAA COc1ccc(-c2nc(C(=O)O)cs2)cc1 168154 OIBLFOXWCGIRIQ-UHFFFAOYSA-N 235.264 2.517 0 50 BFAA in-vitro O=C(c1ccc(F)cc1)c1cnc2sccn12 390177 OTBQRAAYLXSZPI-UHFFFAOYSA-N 246.266 2.766 0 50 BFAA COc1ccc([C@@H]2CC(=O)C(C)(C)O2)cc1 484928 AAJJPLKUORUBGJ-NSHDSACASA-N 220.268 2.504 0 50 BFAA biogenic CSCc1c(C(=O)O)oc2ccccc12 2643729 DBQSGAWZWQUISZ-UHFFFAOYSA-N 222.265 2.994 0 50 BFAA in-vitro COc1ccc([C@@H]2CCCCCN2)cc1OC 3734882 YQAZQGANGIFJDU-LBPRGKRZSA-N 235.327 2.909 0 50 BFAA CCCNC(=O)c1ccc(Br)s1 13322883 YRLNOXHJFHHLRC-UHFFFAOYSA-N 248.145 2.650 0 50 BFAA NC(=O)CCCSc1ccc(Cl)cc1 33434091 PDQJDXIDXOSZNY-UHFFFAOYSA-N 229.732 2.698 0 50 BFAA Cc1csc(CNCc2ccccc2)n1 57394794 QIDVQYHFJZNSGV-UHFFFAOYSA-N 218.325 2.741 0 50 BFAA CCOc1c(C)cc(Br)cc1N 66140714 SSICKDVKFUSOGF-UHFFFAOYSA-N 230.105 2.738 0 50 BFAA in-vitro Cc1nc(N(C)C2CCCCC2)ncc1[C@@H](C)N 91847815 LVHGFDCCRRBAGI-SNVBAGLBSA-N 248.374 2.574 0 50 BFAA COc1cc(Br)cc(OC)c1F 118787814 NIOXJRNKOHUWJD-UHFFFAOYSA-N 235.052 2.605 0 50 BFAA C[C@H](SCc1cnc(Cl)s1)[C@@H](C)O 121204260 BMOHUSFVERKVPN-RITPCOANSA-N 237.777 2.799 0 50 BFAA N#CC(=O)c1ccc(Cl)c(Cl)c1 138445995 ZYAUNVXZXNJJAN-UHFFFAOYSA-N 200.024 2.700 0 50 BFAA C[C@@H]1C[C@H](O)CCN1[C@H](C)c1ccccc1 149120032 QFOPLOIFPTWFGH-YRGRVCCFSA-N 219.328 2.593 0 50 BFAA O=C(OC1CCCC1)[C@H]1CCCc2cccnc21 193764303 LDJHFFNMLXHEBQ-ZDUSSCGKSA-N 245.322 2.987 0 50 BFAA CC(C)Oc1ccccc1CNC1CSC1 309310160 BRADQBUENSIQFS-UHFFFAOYSA-N 237.368 2.679 0 50 BFAA Cc1ccc(N2CCC[C@H](OCC3CC3)C2)nc1 408514187 KMALSKFADODNQE-AWEZNQCLSA-N 246.354 2.785 0 50 BFAA CC[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1c1cccnc1 448614855 SPKHYKLDAUYXEE-BNOWGMLFSA-N 244.338 2.791 0 50 BFAA CC(C)[C@@H](NC(=O)c1ccc[nH]1)c1cccnc1 534674645 PKHHOJGJFODJCY-CYBMUJFWSA-N 243.310 2.537 0 50 BFAA Cc1ccc2n[nH]cc2c1[C@@H]1CC[C@@H](C)NC1 757209831 GNLDXNOCGPIQQV-GHMZBOCLSA-N 229.327 2.727 0 50 BFAA Cc1nc2c(s1)[C@@H](NCc1ccon1)CCC2 766422023 ZVQZRYXEOMBWBF-JTQLQIEISA-N 249.339 2.607 0 50 BFAA FC[C@H]1CCCN(CCc2ccccc2)C1 880234634 KDEIDCDAUAINFV-CQSZACIVSA-N 221.319 2.911 0 50 BFAA Oc1nc([C@H]2CCCCO2)nc2ccccc12 1616036315 ITNDIQWGVRHHOH-LLVKDONJSA-N 230.267 2.577 0 50 BFAA O=Cc1c(-c2ccccc2)nc2sccn12 168229 RRHHDLZBYCPJAW-UHFFFAOYSA-N 228.276 2.875 0 50 BFAA biogenic,in-vitro CC1(C)NCC(C)(C)[C@@H]2Nc3ccccc3[C@@H]21 271585 SRAZHGXLNZUJMK-QWHCGFSZSA-N 230.355 2.972 0 50 BFAA CCn1c(-c2ccccc2C)n[nH]c1=S 1306180 JRKZFRVTJOFXHV-UHFFFAOYSA-N 219.313 2.936 0 50 BFAA in-vitro Cc1nc2c(C)cccc2c(O)c1CCC(=O)O 8737737 RVSSXMXBVBIJDH-UHFFFAOYSA-N 245.278 2.574 0 50 BFAA Cc1ccnc(Nc2nc3ccccc3o2)n1 9013481 FPKNCRLNDYNPDD-UHFFFAOYSA-N 226.239 2.670 0 50 BFAA O=c1cc(C(F)(F)F)c2ccccc2[nH]1 15440422 UUROBWTVZZNDFD-UHFFFAOYSA-N 213.158 2.547 0 50 BFAA in-vitro COC(=O)c1ccc(-c2ccc(CO)cc2)cc1 16947581 VKZMIOMZIBDFLC-UHFFFAOYSA-N 242.274 2.633 0 50 BFAA Nc1cccc(N2Cc3ccccc3C2)c1 30834245 GVTTYJQILUUYSQ-UHFFFAOYSA-N 210.280 2.789 0 50 BFAA in-vitro Ic1cccc2cc[nH]c12 34614698 VBKAPLYISDSUCE-UHFFFAOYSA-N 243.047 2.773 0 50 BFAA CC(C)(C)OC(=O)N1Cc2ccc(N)cc2C1 40448608 WJFWIRWHYIDBAQ-UHFFFAOYSA-N 234.299 2.520 0 50 BFAA CCCNC(=O)c1ccc(Cl)cc1F 51202676 PNYXFZVOYOFPTB-UHFFFAOYSA-N 215.655 2.619 0 50 BFAA Fc1nc(Br)ccc1Cl 95763737 MSTTVEVXARNGRW-UHFFFAOYSA-N 210.433 2.637 0 50 BFAA in-vitro Oc1ccc2c(C(F)(F)F)noc2c1 116076023 JETJKRCFETYCQD-UHFFFAOYSA-N 203.119 2.552 0 50 BFAA O=C(c1cccc2ncccc12)C1CCOCC1 123520936 LJOWAEBQUXMORJ-UHFFFAOYSA-N 241.290 2.844 0 50 BFAA Cc1ccc(NC(=O)N2CCCC[C@@H]2C)nc1 184297008 RIDFQRADHKROJS-NSHDSACASA-N 233.315 2.796 0 50 BFAA C[C@@H](CCc1ccccc1)CN(C)[C@H](C)CN 253370909 XVGZMRVUUQZLLL-UONOGXRCSA-N 234.387 2.534 0 50 BFAA COC(=O)Cc1cc(Cl)cc(Cl)c1F 263625234 XZICIRIJEDTSLW-UHFFFAOYSA-N 237.057 2.848 0 50 BFAA C[C@@H]1CCCCN1C(=O)c1c[nH]c2cccnc12 336406479 VCLZWNWEHGUNPF-SNVBAGLBSA-N 243.310 2.578 0 50 BFAA COc1ccc(Cl)cc1-c1nc(C)no1 336488110 QOARFUWCCJITBE-UHFFFAOYSA-N 224.647 2.707 0 50 BFAA CCS[C@@H](C)c1noc([C@@]2(C)CCCO2)n1 357310306 GOTRZNANXDPFRQ-GZMMTYOYSA-N 242.344 2.909 0 50 BFAA C=CC(=O)N1c2ccc(Cl)cc2OC[C@H]1C 1776007262 IXJZJBQNPJLSMZ-MRVPVSSYSA-N 237.686 2.640 0 50 BFAA Cc1cc(-c2nccn2C[C@@H]2CCOC2)oc1C 1875248194 CBDOPDCRARUNIF-LBPRGKRZSA-N 246.310 2.796 0 50 BFAA O=Cc1ccc(OC(=O)NC2CCCCC2)cc1 2299912164 FXIMEIQLRHEFBC-UHFFFAOYSA-N 247.294 2.920 0 50 BFAA CCC(CC)NC(=O)c1ccc(NC(C)=O)cc1 31664 WXPZBHJUMMGZJT-UHFFFAOYSA-N 248.326 2.563 0 50 BFAA CCc1cc2c(C)cc(=O)oc2cc1OC(C)=O 69962 VXXVTKQDJAVXAU-UHFFFAOYSA-N 246.262 2.589 0 50 BFAA biogenic C/C=C/C(=O)Nc1ccccc1Br 292263 HPUOLTWVVYKUBT-GORDUTHDSA-N 240.100 2.964 0 50 BFAA in-vitro CC[C@H](C)NC(=S)Nc1ccc(OC)cc1 306583 QZEVNTPWJMVOPG-VIFPVBQESA-N 238.356 2.780 0 50 BFAA C[C@@H](N)Cc1c[nH]c2ccc(Cl)cc12 403684 QMKOQSCXSYPIPB-SSDOTTSWSA-N 208.692 2.711 0 50 BFAA CNc1ccc(OC(=O)c2ccco2)cc1 409978 FTQZZDNELPUTCV-UHFFFAOYSA-N 217.224 2.541 0 50 BFAA CC(C)CCOc1cccc(CCN)c1 37721199 IWWADEVDRVEONN-UHFFFAOYSA-N 207.317 2.613 0 50 BFAA in-vitro O=C(O)/C=C/c1ccc(Br)c(F)c1 82046440 LHHBEQSDZPKXEI-DUXPYHPUSA-N 245.047 2.686 0 50 BFAA in-vitro CC(=O)c1cc(Br)c(C)c(C)c1O 214417152 STFOMXGHJGCSOI-UHFFFAOYSA-N 243.100 2.974 0 50 BFAA CC(C)(O)c1cc(F)cc(Br)c1 216750160 CTHIITDLWISIKF-UHFFFAOYSA-N 233.080 2.816 0 50 BFAA O=C(Nc1ccccn1)[C@@H]1CCCC(F)(F)C1 225724868 KYWLPZRHGYROND-SECBINFHSA-N 240.253 2.846 0 50 BFAA CC(C)(C)Sc1ccc([C@@H](N)C(=O)O)cc1 228984144 GMLRFEWSLUWJSU-SNVBAGLBSA-N 239.340 2.662 0 50 BFAA CC[C@@H]1CCC[C@@H](N[C@@H]2C[C@H]3CC[C@H]2O3)C1 245339385 SKGGYPQIOWZSTD-DHGKCCLASA-N 223.360 2.865 0 50 BFAA C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccccn1 246384158 NMLZXZFDWNQEIZ-MBNYWOFBSA-N 244.338 2.875 0 50 BFAA C[C@@H]1C[C@@H](C)[C@](O)(c2ccccc2)C(C)(C)N1 261361552 RBOMJTWXFDAZJC-JMSVASOKSA-N 233.355 2.671 0 50 BFAA CCCOc1ccc(Br)c(F)n1 261494502 ZGRAMUXOTYWETC-UHFFFAOYSA-N 234.068 2.772 0 50 BFAA CSC[C@@H](C)C(=O)Nc1cc2cc[nH]c2cn1 585090756 FGYJYWOKQNOATM-MRVPVSSYSA-N 249.339 2.501 0 50 BFAA C=CC(=O)N[C@@H](C)C1CCC(F)(F)CC1 690870312 VOVSTIUXAGLDLV-QMMMGPOBSA-N 217.259 2.503 0 50 BFAA COC(=O)c1ccc2c(c1)NCC21CCCC1 1857530192 OGWZAFGCSCHRHT-UHFFFAOYSA-N 231.295 2.711 0 50 BFAA O=C1CCC(=O)N1c1cc(Cl)ccc1Cl 243224 BDLQNSYLACBVDC-UHFFFAOYSA-N 244.077 2.647 0 50 BFAA Cn1nc(-c2ccccc2)c2ccccc2c1=O 377093 QRDOSBPOPGXXHQ-UHFFFAOYSA-N 236.274 2.601 0 50 BFAA CC[C@@]1(C)NC(=S)N(c2ccc(C)c(C)c2)N1 462740 YPIPNSXZWPPCJX-ZDUSSCGKSA-N 249.383 2.629 0 50 BFAA CCC[C@@H](C(=O)OCC)C(=O)c1ccccc1 2045216 VGSIFKKEDZIPEN-GFCCVEGCSA-N 234.295 2.849 0 50 BFAA CCOCCOC(=O)Nc1ccc(C)cc1 2172144 QMIOFDKIBZZJLH-UHFFFAOYSA-N 223.272 2.580 0 50 BFAA CCC1CCC(N2CCC[C@H](CO)C2)CC1 5092915 DVMFNFWFUWAPQI-MOKVOYLWSA-N 225.376 2.660 0 50 BFAA COc1ccc(CNC(=O)CC2CCCC2)cc1 8723317 CXKQUFOWCPSQCC-UHFFFAOYSA-N 247.338 2.892 0 50 BFAA O=Cc1c[nH]c2cc(C(F)(F)F)ccc12 26894179 BOCHZCCEJLKHMZ-UHFFFAOYSA-N 213.158 2.999 0 50 BFAA Cc1ccc(-c2ccccc2-n2cnnc2)o1 65382259 DJPAKORWTGLOQM-UHFFFAOYSA-N 225.251 2.836 0 50 BFAA Cc1ccc2cc(-c3cc[nH]n3)ccc2n1 65409876 VDEIXWBHHLRYDA-UHFFFAOYSA-N 209.252 2.933 0 50 BFAA OCCCCc1ccccc1Br 70770059 QVCSOSRGJVRDBF-UHFFFAOYSA-N 229.117 2.764 0 50 BFAA CCN[C@@H](CC)C(=O)c1ccc(C)cc1 71509590 ZTIPDEPKTDPNQE-LBPRGKRZSA-N 205.301 2.566 0 50 BFAA in-vitro CC(C)(C)CCN[C@@H]1CCO[C@H](C2CC2)C1 188506595 ZNGAHZONPSMLSS-OLZOCXBDSA-N 225.376 2.970 0 50 BFAA Clc1cc2cc(Br)cnc2[nH]1 222878625 QAONSFQAZRNVBQ-UHFFFAOYSA-N 231.480 2.979 0 50 BFAA Cc1nocc1CNc1cc(F)ccc1F 336383005 MGMHCLYVFQDSAK-UHFFFAOYSA-N 224.210 2.873 0 50 BFAA C[C@@H](c1ccc(-c2nccn2C)cc1)N(C)C 426387826 JSBYWKSEFCINKZ-NSHDSACASA-N 229.327 2.710 0 50 BFAA NC(=O)c1ccc(F)c(OCc2ccccc2)c1 670417731 RHVLTLFVXDHAPP-UHFFFAOYSA-N 245.253 2.504 0 50 BFAA C=CC(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 848979132 FUJBPJDTSHGDLY-BDAKNGLRSA-N 235.249 2.657 0 50 BFAA C[C@@]12C[C@H]1CN(Cc1nc3c(s1)CCCC3)C2 1772817508 RYRXEPOGNKLOSR-HZMBPMFUSA-N 248.395 2.864 0 50 BFAA CCC(CC)NC(=O)c1cccc(OC)c1 31652 UUBRJNFDJKSQJM-UHFFFAOYSA-N 221.300 2.614 0 50 BFAA biogenic Nc1nc2ccccc2n1Cc1ccccc1 132982 LXIDSOCBAAMGJX-UHFFFAOYSA-N 223.279 2.667 0 50 BFAA biogenic,in-vitro O=C(O)/C=C/c1cc(Br)cs1 152862 VHKFUECAKTYKCR-OWOJBTEDSA-N 233.086 2.608 0 50 BFAA COc1ccc(CNC2CCCC2)cc1OC 263805 MQPREDSGRRLUDP-UHFFFAOYSA-N 235.327 2.736 0 50 BFAA COc1c(C(=O)O)ccc2ccccc12 403483 PMJACRPIWSINFF-UHFFFAOYSA-N 202.209 2.547 0 50 BFAA Cc1ccc(OCCCN2CCCC2)cc1 2496751 DWBHSDNZEZETJI-UHFFFAOYSA-N 219.328 2.860 0 50 BFAA S=C(NCc1ccco1)NC1CCCCC1 2596068 DKDGIRZQJZLONG-UHFFFAOYSA-N 238.356 2.576 0 50 BFAA Cc1c(C)c(C)c2c(c1C)C(=O)C[C@@H]2C(=O)O 3848037 XJQGZBYITZDJTQ-JTQLQIEISA-N 232.279 2.675 0 50 BFAA biogenic O=C(O)c1nc(-c2ccc(F)cc2)cs1 12404579 ADTZSCPHZARMBS-UHFFFAOYSA-N 223.228 2.647 0 50 BFAA in-vitro Nc1nc2c(Cl)cc(F)cc2s1 15442789 TYFVRZURNJXRTK-UHFFFAOYSA-N 202.641 2.671 0 50 BFAA in-vitro Cc1cc2cc(C(=O)O)cnc2cc1C 32099533 PJSIIXYYIBFANC-UHFFFAOYSA-N 201.225 2.550 0 50 BFAA in-vitro CCOc1cccc(NC(=O)C(C)C)c1 55767698 GMJOMGSIGHMGOP-UHFFFAOYSA-N 207.273 2.680 0 50 BFAA C[C@H]1CC[C@H](c2nc(C(C)(C)C)no2)O1 129158576 JACAAGIILKZTQX-JGVFFNPUSA-N 210.277 2.607 0 50 BFAA COC(=O)/C=C/c1c(C)cc(C)cc1C 133832887 KJYFTZVBVMXPFV-AATRIKPKSA-N 204.269 2.798 0 50 BFAA in-vitro OCC1(CNc2ccc(Cl)cn2)CCCC1 168710339 HSVULVJRBAWIDJ-UHFFFAOYSA-N 240.734 2.700 0 50 BFAA O=C(CC1CCCC1)NCCc1ccccc1O 193649070 FRAUYCITCSLJSK-UHFFFAOYSA-N 247.338 2.631 0 50 BFAA O[C@H]1c2ccccc2Nc2ccccc2[C@H]1O 198495702 HMSCHZCENLAZOX-OKILXGFUSA-N 227.263 2.511 0 50 BFAA in-vitro Cc1ccc(Cc2noc([C@@H]3CCCO3)n2)cc1 225590067 ATOHSQPBZDGUTI-LBPRGKRZSA-N 244.294 2.820 0 50 BFAA C[C@H]1C[C@@H](NCC[C@H](C)[S@](C)=O)CC[C@H]1C 241439847 NMTVPBDGDFGNEL-UWHVMBRKSA-N 245.432 2.558 0 50 BFAA O=C(N[C@@H]1CC12CC2)N1CCC[C@@H]1C1CCCC1 335131795 YIOYQPRGNRJTKX-CHWSQXEVSA-N 248.370 2.903 0 50 BFAA Cc1cc(F)cc(NC[C@H]2CCCCO2)n1 952992356 KPVJYOJLNRXDCY-LLVKDONJSA-N 224.279 2.510 0 50 BFAA Cc1cc(CN2CCCC2)ccc1-n1ccnc1 1875304591 OQIZCQRYUFPLRI-UHFFFAOYSA-N 241.338 2.777 0 50 BFAA C=CC(=O)N[C@@H]1CCCCCCC1(F)F 1875367789 NDPRQAWANCZNHG-SECBINFHSA-N 217.259 2.647 0 50 BFAA Cc1ccc2c(c1)sc1nc(C)cc(C)[n+]12 392374 BTDZOMINVMKCNG-UHFFFAOYSA-N 229.328 2.960 0 50 BFAA COc1ccc(C)cc1NC(=O)NC(C)(C)C 400440 HHKXOERGZXSAMX-UHFFFAOYSA-N 236.315 2.924 0 50 BFAA C[C@@H](O)c1cccc(Br)c1 404021 ULMJQMDYAOJNCC-ZCFIWIBFSA-N 201.063 2.502 0 50 BFAA in-vitro CNC(=S)c1c(-c2ccccc2)noc1C 406373 QWJCFPFKCKKIQK-UHFFFAOYSA-N 232.308 2.545 0 50 BFAA CCN(CC)c1cc(-c2ccccc2)ncn1 1018259 UPMYFVHCENBMCM-UHFFFAOYSA-N 227.311 2.990 0 50 BFAA CCCCCCNC(=N)NCc1ccccc1 2518832 SOKBOENXKNZLSO-UHFFFAOYSA-N 233.359 2.881 0 50 BFAA O=C(O)CCc1ccc(OC(F)(F)F)cc1 2572794 RRPISZJLUXOOCL-UHFFFAOYSA-N 234.173 2.602 0 50 BFAA in-vitro CCC/C=C/S(=O)(=O)c1ccccc1 3086338 MLLZGYHCJOGPBH-JXMROGBWSA-N 210.298 2.774 0 50 BFAA CCCc1c(C)nc(SCC(C)C)[nH]c1=O 4997560 LFZREOGFCVDZDL-UHFFFAOYSA-N 240.372 2.779 0 50 BFAA O=C(c1ccc(Cl)cc1)c1cc[nH]c1 6745415 AHSLXEUIQZMKFA-UHFFFAOYSA-N 205.644 2.899 0 50 BFAA in-vitro Brc1cccc2c1CCCN2 8699723 WTZQIKXLRRDMCP-UHFFFAOYSA-N 212.090 2.807 0 50 BFAA in-vitro COCc1cccc(NC(=O)C2CCCC2)c1 29143958 ICGDEMLQGNBOSA-UHFFFAOYSA-N 233.311 2.962 0 50 BFAA CCOc1cccc(C[C@@H]2CCCCN2)c1 32099146 INSYCLXYCANENF-ZDUSSCGKSA-N 219.328 2.770 0 50 BFAA in-vitro CCOc1ccc(F)c(OCC)c1F 40571658 GXQRUCQHJWBNOJ-UHFFFAOYSA-N 202.200 2.762 0 50 BFAA O=C(O)c1ccc(-c2ccccc2F)cn1 41229459 BOCBXJDDFWXTNN-UHFFFAOYSA-N 217.199 2.586 0 50 BFAA in-vitro O=C(O)c1ccnc(-c2ccc(F)cc2F)c1 65347576 LCOCFESZSLZYAV-UHFFFAOYSA-N 235.189 2.725 0 50 BFAA in-vitro CN(C)CCC[C@](O)(c1ccccc1)C1CC1 71773752 PNTXRQPEWSPHRM-HNNXBMFYSA-N 233.355 2.626 0 50 BFAA FC(F)(F)Oc1ccc(-c2ncc[nH]2)cc1 86033058 CQPVUIDPCVCNCE-UHFFFAOYSA-N 228.173 2.975 0 50 BFAA in-vitro Oc1cc(Cl)cc(F)c1Br 263622871 BOPSSYIBODSDRJ-UHFFFAOYSA-N 225.444 2.947 0 50 BFAA O[C@H](C[C@@H]1CCCN1CC1CC1)c1ccco1 268641318 DPLWAIZFJUTRQC-QWHCGFSZSA-N 235.327 2.578 0 50 BFAA Cc1nc(CN2CCCC2)n(C2CCCCC2)n1 670473750 PPAKNHZPVNZEJT-UHFFFAOYSA-N 248.374 2.688 0 50 BFAA Cc1cncc(NC(=O)[C@@]23CCCC[C@H]2C3)c1 866405870 LHGUGFIOHLPGAD-SMDDNHRTSA-N 230.311 2.909 0 50 BFAA C=CC(=O)N(C)[C@@H](C)c1sc(CC)nc1C 1356509009 JQGNSQWJKUVJAS-VIFPVBQESA-N 238.356 2.719 0 50 BFAA CCc1nc(-c2cnc3cccc(F)c3c2)n[nH]1 1875241259 SEWIJEGAKDVNRG-UHFFFAOYSA-N 242.257 2.721 0 50 BFAA CC(=O)c1c(C)cc(C)c(C(=O)O)c1C 185061 BTOFJUUSHPHYSU-UHFFFAOYSA-N 206.241 2.513 0 50 BFAA Cc1cc(C)n2nc(-c3ccc(F)cc3)nc2n1 205493 FCVQQTYBCRGHNI-UHFFFAOYSA-N 242.257 2.547 0 50 BFAA COc1cc2c(cc1C=O)C=CC(C)(C)O2 337047 WWPCZJVYFGMJPA-UHFFFAOYSA-N 218.252 2.692 0 50 BFAA O=C(NCc1cccs1)NC1CCCCC1 413832 QYELXWQLPRTPCN-UHFFFAOYSA-N 238.356 2.880 0 50 BFAA CCN(CC)C(=O)c1ccc(Cl)cc1 580879 VQIFBGNOSBKNJI-UHFFFAOYSA-N 211.692 2.822 0 50 BFAA in-vitro CC(C)(C)C(=O)C(C)(C)Br 2141661 CLUHREPHOLNVFF-UHFFFAOYSA-N 207.111 2.775 0 50 BFAA in-vitro O=C(O)c1cc(Br)c2cc[nH]c2c1 2384053 SAEJTFXNRYRHNA-UHFFFAOYSA-N 240.056 2.629 0 50 BFAA in-vitro COc1ccc(NCCC(=O)c2ccco2)cc1 2522084 HDQJYYUCFXPIPN-UHFFFAOYSA-N 245.278 2.973 0 50 BFAA c1ccc2c(NC3=NCCO3)cccc2c1 5162906 FQEBDSGXTAANPO-UHFFFAOYSA-N 212.252 2.638 0 50 BFAA CC1CCC(NCc2cccnc2)CC1 12417655 LIXDUPDEYUFILL-UHFFFAOYSA-N 204.317 2.750 0 50 BFAA Cc1cc2cc(Br)ccc2nc1N 12957093 DUFGQFDKOSMTAO-UHFFFAOYSA-N 237.100 2.888 0 50 BFAA Nc1ccc(OC(F)F)cc1Br 15444632 QAIJRQYZGRRNFA-UHFFFAOYSA-N 238.031 2.633 0 50 BFAA Cc1ccc(N)c(C)c1Br 39220384 NOIVEHKDGBUHGJ-UHFFFAOYSA-N 200.079 2.648 0 50 BFAA in-vitro C[C@@H]1CC(C)(C)CC[C@H]1NCc1ncc[nH]1 86662524 IJQOFHBUTKEHGW-GHMZBOCLSA-N 221.348 2.714 0 50 BFAA COC(=O)c1ccc2ccccc2c1C 113381326 RJCOLHYGLMOBPX-UHFFFAOYSA-N 200.237 2.935 0 50 BFAA in-vitro N#Cc1cnc2cccc(Br)c2c1 139400965 PIOIKNIQZCHACX-UHFFFAOYSA-N 233.068 2.869 0 50 BFAA CC(C)N(C)c1ccc(CN2CCCC2)cn1 190714891 POFOKORRVNCFQQ-UHFFFAOYSA-N 233.359 2.522 0 50 BFAA Cc1nocc1CNc1cccc(F)c1 334612719 IKNHTYDXYDPYOF-UHFFFAOYSA-N 206.220 2.734 0 50 BFAA CC[C@@H]1CCC(=O)C[C@@H]1N1CCCCC1 725362700 VPJWFBJWMPOCKQ-YPMHNXCESA-N 209.333 2.620 0 50 BFAA CCN1CCC[C@@H](c2c[nH]c3ncccc23)C1 931368801 MDRRIMKDYJWLGQ-LLVKDONJSA-N 229.327 2.762 0 50 BFAA C=CC(=O)NCCCc1ccc(Cl)cc1 1336719782 AYRRMAQLIZETKX-UHFFFAOYSA-N 223.703 2.575 0 50 BFAA Cc1ccc(C(C)(C)C)c(OCC(=O)O)c1 41074 YRZRMZAUHRFSSM-UHFFFAOYSA-N 222.284 2.756 0 50 BFAA CC1(C)C[C@@H](NCc2ccccc2)CCO1 51287 MSWLMOCCTHCSBL-ZDUSSCGKSA-N 219.328 2.734 0 50 BFAA CC(C)(C)c1nc(N)sc1Br 140504 ACKLPWWFGUPXSM-UHFFFAOYSA-N 235.150 2.785 0 50 BFAA in-vitro Cc1cc(C=O)cc(C)c1OC(F)F 2656564 IBHMZDWYOXJTLT-UHFFFAOYSA-N 200.184 2.717 0 50 BFAA in-vitro Cc1ccc(C(=O)O)cc1NCc1cccnc1 4413495 JKNLNOBJEHXTCG-UHFFFAOYSA-N 242.278 2.700 0 50 BFAA Cc1cccc(CC(=O)NCc2cccs2)c1 6731548 CVQAPPAPSXFJOT-UHFFFAOYSA-N 245.347 2.915 0 50 BFAA Clc1nc(Br)cc2cc[nH]c12 39961355 LHURNXZTMAOLSE-UHFFFAOYSA-N 231.480 2.979 0 50 BFAA in-vitro CCN1C[C@H](COc2cc(C)cc(C)c2)OC1=O 71773769 QKOVRSSEGHILAS-CYBMUJFWSA-N 249.310 2.523 0 50 BFAA Cc1ccc(F)c(C(=O)O)c1Br 75914853 AKGJVRQAQBIZKL-UHFFFAOYSA-N 233.036 2.595 0 50 BFAA in-vitro NC1(c2ccc(F)c(Br)c2)CC1 116939839 KQUYIMSEEJHOSW-UHFFFAOYSA-N 230.080 2.536 0 50 BFAA CCCCS[C@@H]1CCCN(C(C)C)C1=O 170652045 UZMKSUYIUBXBNF-LLVKDONJSA-N 229.389 2.919 0 50 BFAA Fc1ccc2c(c1)[nH]c1ncnc(Cl)c12 299805548 UDJKRUAGOMTODO-UHFFFAOYSA-N 221.622 2.904 0 50 BFAA COCc1cccc(-c2ccc3c(c2)CCN3)n1 888096131 UVLHXQAZFZNEED-UHFFFAOYSA-N 240.306 2.863 0 50 BFAA Cc1cc(NC(=O)[C@H]2CCC(C)(C)O2)cnc1C 893813962 XCSGDGPVMSTODP-GFCCVEGCSA-N 248.326 2.595 0 50 BFAA c1cncc(-c2nccn2C[C@H]2CCCCO2)c1 1875249503 XNWCBDQCLQEACD-CYBMUJFWSA-N 243.310 2.514 0 50 BFAA CCOc1ccc(-c2n[nH]c(C)n2)cc1Cl 1875279655 PPAWSFSYSBKLFA-UHFFFAOYSA-N 237.690 2.832 0 50 BFAA COc1cccc(-c2nncc(C)c2C)c1F 2100539285 AZHHGQNIZHCMFO-UHFFFAOYSA-N 232.258 2.908 0 50 BFAA Cc1ccc(NC(=O)c2cccnc2)cc1C 29317 MPWUJYHWSMZLRJ-UHFFFAOYSA-N 226.279 2.951 0 50 BFAA CCOc1cc(C)nn1-c1ccccc1 270749 HIXKUHSBZQQDHA-UHFFFAOYSA-N 202.257 2.579 0 50 BFAA CCCN(CCO)Cc1c(F)cccc1Cl 278318 DFJDMXRYFMLHCD-UHFFFAOYSA-N 245.725 2.683 0 50 BFAA CCC(CC)C(=O)Nc1nc(C)cs1 362422 NQMFARPXEJBCPG-UHFFFAOYSA-N 212.318 2.826 0 50 BFAA CCNC(=S)Nc1cc(Cl)ccc1OC 439626 BLPRCXYFHRIUCD-UHFFFAOYSA-N 244.747 2.655 0 50 BFAA CN(C)c1ccc(Nc2cc(Cl)ncn2)cc1 966626 OHEQIHGFHCGZKW-UHFFFAOYSA-N 248.717 2.940 0 50 BFAA CC(=O)Oc1ccc2cc(OC(C)=O)ccc2c1 2168218 JTUIDPCUTRXCPW-UHFFFAOYSA-N 244.246 2.690 0 50 BFAA biogenic COCCCNC(=O)c1ccc(C(C)C)cc1 2767796 MLUGDFDXKZDJAX-UHFFFAOYSA-N 235.327 2.576 0 50 BFAA O=C1CCCc2cc3cccc(O)c3c(O)c21 4804311 IFADZYPDPVTFAT-UHFFFAOYSA-N 228.247 2.770 0 50 BFAA biogenic,in-vitro COc1ccc(NC(=O)NC(C)(C)C)cc1 6701665 ZWDBOCGAGVAAIB-UHFFFAOYSA-N 222.288 2.615 0 50 BFAA OC[C@@H]1CCCN(C2C3CC4CC(C3)CC2C4)C1 12343448 KJKHVVZYFANPEY-WFWUXJIDSA-N 249.398 2.515 0 50 BFAA COC(=O)Nc1cc(Cl)c(OC)cc1OC 13327607 ZDMBFIBGJQILPI-UHFFFAOYSA-N 245.662 2.536 0 50 BFAA C[C@@H]1CN(Cc2c(F)cccc2F)C[C@@H](C)O1 19608801 XEFIXQWGJMEGAL-NXEZZACHSA-N 241.281 2.574 0 50 BFAA CC[C@H](C)N1CCN(Cc2ccccc2)CC1 19788208 COWCJOKMBMREBA-AWEZNQCLSA-N 232.371 2.603 0 50 BFAA O=C(O)c1cc(F)cc(-c2ccccc2O)c1 65340062 KNAHNYJQQNDRAY-UHFFFAOYSA-N 232.210 2.897 0 50 BFAA in-vitro CN(CCOc1ccccc1)Cc1ccccn1 65508579 FAEDEWPVIGNSEZ-UHFFFAOYSA-N 242.322 2.592 0 50 BFAA CC(=O)N1CCCc2cc(Cl)ccc21 82533338 KAMSJANAGMPVAR-UHFFFAOYSA-N 209.676 2.639 0 50 BFAA COC(C)(C)c1nc(-c2ccsc2)no1 170608355 JRUXBPFXKZUBHF-UHFFFAOYSA-N 224.285 2.680 0 50 BFAA COc1ncccc1-c1cccc2nc(C)cn12 426612447 BCMCGZZZGKZGNY-UHFFFAOYSA-N 239.278 2.713 0 50 BFAA CNC(=O)c1cccc(OCCCC(C)C)c1 431861748 VUPVEZOGWQZUOX-UHFFFAOYSA-N 235.327 2.861 0 50 BFAA c1ccc(-c2nnnn2CC2CCCCC2)cc1 2325839167 KTAKMKYPTLTMPA-UHFFFAOYSA-N 242.326 2.920 0 50 BFAA COC(=O)COc1ccc(Cl)cc1Cl 57288 HWIGZMADSFQMOI-UHFFFAOYSA-N 235.066 2.545 0 50 BFAA biogenic,in-vitro C[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 318934 PQIXNGWJDMFPEA-LLVKDONJSA-N 235.302 2.627 0 50 BFAA Cc1cccc(Cl)c1NC(=O)N(C)C 396811 JFJBZGMKDGUYOW-UHFFFAOYSA-N 212.680 2.742 0 50 BFAA Cc1[nH]c2ccccc2c1C(=O)CCC(=O)O 771797 FGIUWODBLHYDDM-UHFFFAOYSA-N 231.251 2.524 0 50 BFAA biogenic CCC(=O)c1ccc(OCCCCNC)cc1 2844401 UHGZVYLPYVNDMP-UHFFFAOYSA-N 235.327 2.658 0 50 BFAA Cc1cc(C(=O)O)c(C)cc1Br 3848701 PYZYBJKFYYDWPH-UHFFFAOYSA-N 229.073 2.764 0 50 BFAA biogenic,in-vitro CC(C)CNC(=O)c1ccc(OC(C)C)cc1 8041763 BBNLJRXYICTERA-UHFFFAOYSA-N 235.327 2.860 0 50 BFAA COc1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1C 23114764 PXRYQGYLYYWQMW-BETUJISGSA-N 249.354 2.613 0 50 BFAA CC(=O)c1ccn(-c2cncc3ccccc23)n1 65435948 DSWQGPLIOWPPBT-UHFFFAOYSA-N 237.262 2.623 0 50 BFAA CCCCN(CC)C(=O)Nc1ccc(F)cn1 123016755 XVLKHECRYIXOBM-UHFFFAOYSA-N 239.294 2.875 0 50 BFAA c1cc(Cn2cnc3c2CCCC3)cs1 130461905 VWIZVOYJZPMTIF-UHFFFAOYSA-N 218.325 2.872 0 50 BFAA CCCn1nc(C)c(/C=C/c2ccncn2)c1C 157355543 ACJOFJIYAQFWBD-AATRIKPKSA-N 242.326 2.870 0 50 BFAA O=Cc1ccc(Cl)cc1OCC1CC1 163058856 YMPLHIJBUASDTM-UHFFFAOYSA-N 210.660 2.941 0 50 BFAA CSc1ccc(C(=O)O)cc1Br 169260751 LJSXFPBEXJQCFH-UHFFFAOYSA-N 247.113 2.869 0 50 BFAA CC[C@H](C)CN1CCc2ccc(C(=O)O)cc2C1 212036128 GEXRCMDAIKGSBL-NSHDSACASA-N 247.338 2.789 0 50 BFAA CC1(C)CCC[C@H]1NCc1cccc(CO)c1 223261682 SIICSZQTFZQSPU-CQSZACIVSA-N 233.355 2.847 0 50 BFAA C[C@H]1C[C@@H](C)C[C@H](NCc2ccncc2)C1 251694105 AYCLKBUTGXMYML-IMRBUKKESA-N 218.344 2.996 0 50 BFAA Cc1ccc(F)cc1CN[C@@H]1C[C@H]2CC[C@H]1O2 253370673 UONWEWRDJGPRJA-MGPQQGTHSA-N 235.302 2.544 0 50 BFAA CCCOc1cncc(-c2cocn2)c1 585120224 AKXQTBBBLZPQHQ-UHFFFAOYSA-N 204.229 2.525 0 50 BFAA CCC1(CO)CCN(CC[C@H]2CC2(F)F)CC1 822691092 QCQBEXQJXAPRSK-NSHDSACASA-N 247.329 2.516 0 50 BFAA Cn1cc(/C=C/c2nccc3ccccc23)nn1 1875341504 VONRWSSQFGEKNS-VOTSOKGWSA-N 236.278 2.534 0 50 BFAA Cn1nc(-c2cc(-c3ccccc3)co2)nc1F 2325864888 CNIVQCIWINQFFN-UHFFFAOYSA-N 243.241 2.881 0 50 BFAA CC(C)CC(=O)N1CCc2ccccc21 30712 JGJGSUKSORSYIK-UHFFFAOYSA-N 203.285 2.622 0 50 BFAA biogenic CC(=O)c1ccc(NC(=O)c2ccco2)cc1 35870 BIHZHGIQNFROFX-UHFFFAOYSA-N 229.235 2.735 0 50 BFAA COc1ccccc1NC(=O)c1ccc(O)cc1 131992 KIWXSZJDDVQTEE-UHFFFAOYSA-N 243.262 2.653 0 50 BFAA O=C1[C@H]2Cc3ccccc3[C@H]2C1(Cl)Cl 159170 KAGZBEUEDMPZCQ-DTWKUNHWSA-N 227.090 2.699 0 50 BFAA CCc1c(C)c2ccc(O)c(C)c2oc1=O 196342 GNXXGLPSRSIGOY-UHFFFAOYSA-N 218.252 2.678 0 50 BFAA COC(=O)c1cccc(Cl)c1Cl 1081470 RFVULUSGHFRDHJ-UHFFFAOYSA-N 205.040 2.780 0 50 BFAA in-vitro CCOC(=O)/C=C/c1cccc(Cl)c1 1624854 ROEZPXRDTJGAAN-VOTSOKGWSA-N 210.660 2.916 0 50 BFAA CCOC(=O)/C=C/c1ccccc1OCC 2566135 WJRLRVSUBGIUGI-MDZDMXLPSA-N 220.268 2.662 0 50 BFAA CCCC(=O)Nc1ccc(Cl)cc1C(=O)O 4506906 JXUMPBGCXKTRIJ-UHFFFAOYSA-N 241.674 2.777 0 50 BFAA O=C(O)c1c(-n2cccc2)sc2c1CCC2 5137940 AFUGGWFQZJEYCV-UHFFFAOYSA-N 233.292 2.726 0 50 BFAA CC[C@H](C)NC(=O)Cc1ccc(Cl)cc1 5719105 SBKDDJUXPLEPDK-VIFPVBQESA-N 225.719 2.797 0 50 BFAA c1ccc(CCO[C@@H]2CCCCO2)cc1 6096213 YTSCAWRTSJUGJL-CYBMUJFWSA-N 206.285 2.772 0 50 BFAA C[C@@H](NC(=O)c1ccccc1F)c1ccncc1 6125124 AKUHURJFCOTJAK-SNVBAGLBSA-N 244.269 2.712 0 50 BFAA C[C@H](NC(=O)c1cccc(F)c1)c1ccncc1 6125226 BRNYLBNOXFKGBT-JTQLQIEISA-N 244.269 2.712 0 50 BFAA C[C@@H]1C[C@@](CCN)(c2ccccc2)[C@@H](C)CN1C 13655987 XTILSTQWLFVMKB-SQWLQELKSA-N 246.398 2.633 0 50 BFAA Cc1ccc(-c2noc([C@@H]3CCCCN3)n2)cc1 20545464 FLDHDLZFWHEFMY-LBPRGKRZSA-N 243.310 2.860 0 50 BFAA O=C(NC1CCCC1)c1ccc(F)cc1F 23119851 PDRAZQRYDMHDTO-UHFFFAOYSA-N 225.238 2.637 0 50 BFAA CC(C)NS(=O)(=O)c1cccc2ccccc12 32497849 NUGKVTUTDNLGOA-UHFFFAOYSA-N 249.335 2.527 0 50 BFAA CC(C)(C)OC(=O)c1ccc(F)cc1F 68813105 NIADSGDBPFELPU-UHFFFAOYSA-N 214.211 2.920 0 50 BFAA in-vitro CC(C)[C@H](O)c1ccc(Br)cn1 130009683 WANDTGRVSUSACC-VIFPVBQESA-N 230.105 2.534 0 50 BFAA COc1ccc(OC)c(-c2ncccc2OC)c1 146479777 OQWBCSIHHGBAAY-UHFFFAOYSA-N 245.278 2.774 0 50 BFAA NC(=O)NCc1ccc(NC2CCCCC2)cc1 152917658 TWYWNIIHIPJSJV-UHFFFAOYSA-N 247.342 2.600 0 50 BFAA Cc1c2ccc(C(=O)O)cc2nn1C(C)(C)C 215765013 GACXVVKHDZMILT-UHFFFAOYSA-N 232.283 2.798 0 50 BFAA CC1=CCC[C@H](C)[C@H]1CN1[C@H]2CC[C@H]1CC(O)C2 225513941 LSGBABGPNBPZEW-YXWQFLTLSA-N 249.398 2.967 0 50 BFAA CN[C@H](c1ccc(Cl)cc1)N1CCCC1 261506754 ARKCSVUBXILPLL-LBPRGKRZSA-N 224.735 2.654 0 50 BFAA Cc1ccncc1-c1nc(-c2ccccn2)no1 355427483 LVWWKCUKHMVQSW-UHFFFAOYSA-N 238.250 2.502 0 50 BFAA C[C@H]1CCN(c2nc(C3CC3)no2)[C@@H](C)C1 685939599 ZSHIWJNXTUWEIT-IUCAKERBSA-N 221.304 2.572 0 50 BFAA CC(C)(CN1CCCCCC1)Nc1cnccn1 821903067 ZRHGVZAYGRLBJJ-UHFFFAOYSA-N 248.374 2.543 0 50 BFAA C=CC(=O)N1CCC(C)(C)c2ccccc21 952884729 LGQKRBNIXYRNKI-UHFFFAOYSA-N 215.296 2.887 0 50 BFAA Cc1cnc([C@@H](C)Nc2cc(C(C)C)ncn2)[nH]1 1772703623 HIEMCVYBAZEIMP-SNVBAGLBSA-N 245.330 2.805 0 50 BFAA COc1ccc(-c2nncc(C)c2C)c(OC)c1 2100482793 ZDUAHTXCYVNSGY-UHFFFAOYSA-N 244.294 2.778 0 50 BFAA O=C(c1c(Cl)ccc2cccnc12)N1CCC1 2325815775 HZSVODKHLQJNIX-UHFFFAOYSA-N 246.697 2.734 0 50 BFAA CCOC(=O)c1cc2cc(OCC)ccc2[nH]1 114592 IMFWDOPIAXKRBO-UHFFFAOYSA-N 233.267 2.743 0 50 BFAA in-vitro CC(C)c1sc(Cl)nc1C(=O)O 169567 JBGWUKMKNIMSOU-UHFFFAOYSA-N 205.666 2.618 0 50 BFAA in-vitro Cc1csc(NC(=O)c2cccs2)n1 283717 MGGXMIGZPZPTLX-UHFFFAOYSA-N 224.310 2.765 0 50 BFAA Cc1ccc(NC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 396858 JFAZJXHKUTYROF-RYUDHWBXSA-N 248.326 2.636 0 50 BFAA Cc1ccc(C(=O)Nc2ccc(N(C)C)cc2)o1 442971 ZQUBOCZUGQXZLH-UHFFFAOYSA-N 244.294 2.906 0 50 BFAA Fc1ccc(NCc2cccnc2)cc1 806051 ACUPPIKXBQWISN-UHFFFAOYSA-N 202.232 2.833 0 50 BFAA in-vitro CSc1nnc(C)c(Nc2ccc(C)cc2)n1 1792397 USEPCERUFSEPGY-UHFFFAOYSA-N 246.339 2.954 0 50 BFAA CCCNCc1c(F)cccc1Cl 2169359 LBJTUTUDKUGWEZ-UHFFFAOYSA-N 201.672 2.979 0 50 BFAA in-vitro CCCCOCCCNC(=O)c1cccs1 2989453 LMDNZTVXVBATOQ-UHFFFAOYSA-N 241.356 2.685 0 50 BFAA CC1=C[C@H](C)[C@H](CNCCCN(C)C)[C@@H](C)C1 4612809 TZIMJQBDMVLZIZ-KKUMJFAQSA-N 238.419 2.766 0 50 BFAA CC(C)c1ccc(CNc2ncn[nH]2)cc1 5019532 PNYRFDUUIJTFKC-UHFFFAOYSA-N 216.288 2.540 0 50 BFAA c1ccc2c(c1)oc1c(N3CCCC3)ncnc12 5159709 LOBAIGZWWUGWPC-UHFFFAOYSA-N 239.278 2.976 0 50 BFAA O=C(c1ccccc1)c1nc2ccccc2[nH]1 9560697 RZMKWQVADPIKCJ-UHFFFAOYSA-N 222.247 2.794 0 50 BFAA Cc1cc(C(=O)O)c(Br)cc1F 39953642 UVSGTNJGIMPLAM-UHFFFAOYSA-N 233.036 2.595 0 50 BFAA C1=C[C@@H](Cc2nc(Cc3ccccc3)n[nH]2)CC1 65403577 XGOPYCMJBUHMBS-CYBMUJFWSA-N 239.322 2.904 0 50 BFAA CC1(C)C[C@@]1(Cn1cnnc1)c1ccccc1 65497092 AHNBCIRMTJUDMN-CQSZACIVSA-N 227.311 2.646 0 50 BFAA CCNC(=O)c1cccc(-c2ccc(N)cc2)c1 74937781 SXHRJNUFEJOBHB-UHFFFAOYSA-N 240.306 2.686 0 50 BFAA in-vitro Cc1c(Br)cc(F)c(O)c1F 85477066 GBQRYNKXPAXGKA-UHFFFAOYSA-N 223.016 2.741 0 50 BFAA in-vitro CC(C)(C)OC(=O)N1C[C@H]2CCC[C@H]2C1 91302117 COUZDDDNQCVUDL-AOOOYVTPSA-N 211.305 2.653 0 50 BFAA in-vitro CC(C)(C)SCCNC(=O)[C@H]1CC1(C)C 121474836 PLFAYZJDPQHAEV-SECBINFHSA-N 229.389 2.680 0 50 BFAA Fc1cc(Br)cc2ocnc12 169805258 WMDPNXKKBGQNLW-UHFFFAOYSA-N 216.009 2.729 0 50 BFAA C[C@@H]1CCCCN1C[C@@H](O)c1ccc(F)cc1 229754577 JLGVWZSFGRLYAO-BXUZGUMPSA-N 237.318 2.734 0 50 BFAA C[C@H](NC(=O)c1cccnc1)[C@@H]1C[C@H]2CC[C@H]1C2 243497481 NTMANIMIVFSVIN-MNXVOIDGSA-N 244.338 2.636 0 50 BFAA Nc1ccc(C(F)(F)F)c(OC(F)F)c1 258828085 DZUJSOLVDDHTLW-UHFFFAOYSA-N 227.132 2.889 0 50 BFAA Cc1ccc(N2N[C@](C)(CC(C)C)NC2=O)cc1 334160367 CAWYVQIFWFPKJH-CQSZACIVSA-N 247.342 2.792 0 50 BFAA c1cc(CN2CCC3(CCCCCC3)C2)n[nH]1 378344250 YRTMWAJWLATTMZ-UHFFFAOYSA-N 233.359 2.956 0 50 BFAA CC1=NN(c2ccc(Cl)cc2F)C(=O)C1 575602217 IBGKDAYDXCAACQ-UHFFFAOYSA-N 226.638 2.592 0 50 BFAA O[C@H]1CCCN(C[C@@H]2CCC=CCCC2)CC1 952991573 ARZVSIBCPTZFAK-CABCVRRESA-N 237.387 2.970 0 50 BFAA CSCC(=O)Nc1cc(C)ccc1C 149894 GEUIVPDVDLVBGL-UHFFFAOYSA-N 209.314 2.605 0 50 BFAA O=C(c1cccs1)N1CCc2ccccc21 272902 NDTAKECNNPRRSM-UHFFFAOYSA-N 229.304 2.951 0 50 BFAA C[C@H]1C[C@@H]1C(=O)NCc1ccccc1Cl 372113 NMOUSSKELMDEIW-WPRPVWTQSA-N 223.703 2.612 0 50 BFAA COC(=O)c1cc(/C=C/c2ccccc2)on1 1689666 FSLSTBOIVMYKMU-BQYQJAHWSA-N 229.235 2.632 0 50 BFAA C[C@@]12CC3CC(OCCN)(C1)C[C@](C)(C3)C2 1733113 WQXMVAGRSICDSC-AKJUYKBHSA-N 223.360 2.711 0 50 BFAA in-vitro CCCC(=O)NCCCc1ccccc1 2878623 ZNMHLJZBKJKDON-UHFFFAOYSA-N 205.301 2.536 0 50 BFAA O=C(c1ccc(Cl)cc1)C1CCNCC1 3883509 IYGWDOXHCPQXKN-UHFFFAOYSA-N 223.703 2.522 0 50 BFAA in-vitro Cc1ccn2c(C(=O)c3ccccc3)cnc2c1 4543005 HEYDHPSNBWILFO-UHFFFAOYSA-N 236.274 2.874 0 50 BFAA Cc1cccc(-n2c(C)n[nH]c2=S)c1 5784618 WVNDBFTYKJCBNR-UHFFFAOYSA-N 205.286 2.547 0 50 BFAA in-vitro CCNCc1cccc(Br)c1 6385340 ZKUHSZJORZCOFE-UHFFFAOYSA-N 214.106 2.559 0 50 BFAA in-vitro O=C(OCCCc1ccncc1)c1ccccc1 15781572 JUMBDZRIANTTBI-UHFFFAOYSA-N 241.290 2.871 0 50 BFAA Cc1ccc(-c2cccnc2C(=O)O)cc1 41226833 MEBSKTFICDSWRF-UHFFFAOYSA-N 213.236 2.755 0 50 BFAA Clc1cc(Br)c2cc[nH]c2n1 42689479 OATRMIWUNLJMJV-UHFFFAOYSA-N 231.480 2.979 0 50 BFAA in-vitro CN[C@@H]1CCCC[C@H]1[C@H](O)c1ccc(OC)cc1 71774153 AIGURAKVPDMCSE-RBSFLKMASA-N 249.354 2.507 0 50 BFAA Cc1ccc(C[C@@H](C)N(C)CCCC(=O)O)cc1 151134127 OWUOJFAABYKZLO-CYBMUJFWSA-N 249.354 2.723 0 50 BFAA CCN(Cc1ccccn1)c1cccc(C)n1 170604222 VSYNRYPLZNYZGV-UHFFFAOYSA-N 227.311 2.812 0 50 BFAA O=C(O)[C@]12CCCC[C@@H]1CC(F)(F)C2 257820430 DDOHHAIDKXLPNH-APPZFPTMSA-N 204.216 2.677 0 50 BFAA CCC1(CC)CN(c2ncnc3[nH]ccc23)C1 292873687 UBFATYXFOZLDAJ-UHFFFAOYSA-N 230.315 2.584 0 50 BFAA CCc1csc(NC(=O)N2CCC[C@H]2C)n1 334606429 GACHLASBAHZGDW-MRVPVSSYSA-N 239.344 2.722 0 50 BFAA Cc1cc(-c2cnc3ccc(F)cn23)ccn1 426420502 XONMWJKAYOPSPN-UHFFFAOYSA-N 227.242 2.844 0 50 BFAA CC(C)(C)COc1nccc(Br)n1 725345399 OFYYGBBNYCEXQU-UHFFFAOYSA-N 245.120 2.664 0 50 BFAA C=CC(=O)NCc1ccccc1-c1cccnc1 1776003538 WKPKDTCDJRXGQI-UHFFFAOYSA-N 238.290 2.551 0 50 BFAA CC[C@H](COC)n1cc(-c2ccc(F)cc2)nn1 2325772767 CESOUZIMLHJRDG-GFCCVEGCSA-N 249.289 2.682 0 50 BFAA O=C(CC1CCC1)N1CCCc2cc(O)ccc21 2325806297 CAJGXPVWVIJYDB-UHFFFAOYSA-N 245.322 2.862 0 50 BFAA C1=CC[C@H](CNCc2cccnc2)CC1 333236 XSFRUZPXJJNWFL-LBPRGKRZSA-N 202.301 2.528 0 50 BFAA O=CNC1(c2ccccc2)CCCCC1 394390 OYKZJWSJPUGNIC-UHFFFAOYSA-N 203.285 2.592 0 50 BFAA CC(C)NC(=O)c1ccc(C(C)C)cc1 442499 QWXBVRRUKZHDQL-UHFFFAOYSA-N 205.301 2.948 0 50 BFAA C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)O 2027278 BIPAGODSEBNAJR-YFKPBYRVSA-N 235.066 2.845 0 50 BFAA COc1ccc(C[C@@H]2CCCCCN2)cc1 3734885 MYFZIZZWGXOIOK-ZDUSSCGKSA-N 219.328 2.770 0 50 BFAA in-vitro COc1cccc([C@H]2CCCCCN2)c1 3734910 RSJVJDRQAKBTIR-CYBMUJFWSA-N 205.301 2.900 0 50 BFAA in-vitro O=S(=O)(CCc1ccccc1)c1ccccc1 4015714 RLTJPCSAOFZFJF-UHFFFAOYSA-N 246.331 2.703 0 50 BFAA CC1(C)CCC(=O)C[C@H]1n1nnc2ccccc21 5302958 OOMFOUDIIHKLOL-CYBMUJFWSA-N 243.310 2.752 0 50 BFAA CCNCCOc1cccc(C(C)C)c1 6704824 FQQJUBCCFJYEJM-UHFFFAOYSA-N 207.317 2.798 0 50 BFAA Cc1ccc([C@@H]2CC(=O)c3c(C)n[nH]c3C2)cc1 9185672 KIKNHUUQUMUDEP-LBPRGKRZSA-N 240.306 2.939 0 50 BFAA Cc1cc(C(=O)Nc2nccs2)cs1 13330559 MIHTZWWXAHEISP-UHFFFAOYSA-N 224.310 2.765 0 50 BFAA COCCCN[C@@H](C)CCc1ccccc1 20142273 DXJLNMZEUCTLQM-ZDUSSCGKSA-N 221.344 2.634 0 50 BFAA CC(=O)NCc1ccccc1N1CCC(C)CC1 24605920 GRDUTQBQLFIZEG-UHFFFAOYSA-N 246.354 2.559 0 50 BFAA c1ccc2cc([C@]34CNC[C@H]3C4)ccc2c1 34986938 HKHCSWPSUSWGLI-CABCVRRESA-N 209.292 2.701 0 50 BFAA in-man CC(C)(C)OC(=O)Cc1ccc(F)cc1 39225916 RYZCRXLOOKIYPC-UHFFFAOYSA-N 210.248 2.710 0 50 BFAA Brc1ccc(OCC2CC2)nc1 40456693 FXLHFKZNQOIRGG-UHFFFAOYSA-N 228.089 2.633 0 50 BFAA in-vitro Cc1ccc(CNCc2ccccn2)s1 54958172 WBEAQJYXVNBGDI-UHFFFAOYSA-N 218.325 2.741 0 50 BFAA Cc1ccc(OCCNC(=O)C(C)(C)C)cc1C 71385065 NXMVYFWFMHISDB-UHFFFAOYSA-N 249.354 2.845 0 50 BFAA Oc1cnc2cc(Br)ccc2c1 84122445 QSSKHPOBNVWRPS-UHFFFAOYSA-N 224.057 2.703 0 50 BFAA CCCO[C@H](C(=O)O)c1ccc(F)cc1C 147924936 JAOQBJBGAJEPHH-NSHDSACASA-N 226.247 2.686 0 50 BFAA CCN1C[C@H](C)[C@@](O)(c2ccccc2)C[C@H]1C 239433268 XLCYCZFQMQVQNF-GZBFAFLISA-N 233.355 2.624 0 50 BFAA O=C(O)c1cn(-c2ccccc2)c2ncccc12 504195275 RQGRMCVFHYTEQJ-UHFFFAOYSA-N 238.246 2.724 0 50 BFAA CC[C@H](C)CNc1ccc(-c2nc[nH]n2)cc1 725242790 YSFJMRQDOLGRLW-JTQLQIEISA-N 230.315 2.930 0 50 BFAA C=CC(=O)N(C)[C@@H](Cc1ccccn1)C(C)(C)C 1875365874 RDRJTMDNUNKVIY-ZDUSSCGKSA-N 246.354 2.683 0 50 BFAA CCCCOC(=O)Oc1ccc(C(=O)O)cc1 2169670 GNBKEARJFHTJMV-UHFFFAOYSA-N 238.239 2.700 0 50 BFAA in-vitro Nc1ccc2nc(-c3cccs3)[nH]c2c1 5687374 ODERBZFANUDJQA-UHFFFAOYSA-N 215.281 2.874 0 50 BFAA in-vitro Cc1ccc(CN2CCN(C(C)C)CC2)cc1 19789205 LXVMTUAGUZJTDP-UHFFFAOYSA-N 232.371 2.521 0 50 BFAA Cc1cccc(OCCCCC(=O)O)c1 20474274 APBTWFGXWDJBPG-UHFFFAOYSA-N 208.257 2.629 0 50 BFAA in-vitro COc1ccc2nc(Cl)nc(Cl)c2c1 26894496 WEAMQTSRMCCGSJ-UHFFFAOYSA-N 229.066 2.945 0 50 BFAA in-vitro FC(F)(F)Oc1ccc(Br)nc1 40448308 RKXYQQVLVNEAFB-UHFFFAOYSA-N 241.994 2.743 0 50 BFAA COc1c(CC(=O)O)sc2ccccc12 45068764 FAAHMVKTZQHENW-UHFFFAOYSA-N 222.265 2.537 0 50 BFAA CCOc1cccc(CNC(=O)C2CCCC2)c1 48325249 IGZDRRRKMOUALP-UHFFFAOYSA-N 247.338 2.892 0 50 BFAA COc1cc(OC)cc(C(=O)C(C)C)c1 60271777 AUJIKWYMXZIWQN-UHFFFAOYSA-N 208.257 2.543 0 50 BFAA CCOC(=O)[C@@]1(CC=C(C)C)CCCC1=O 196883529 BSZQQWWCHSBRCS-CYBMUJFWSA-N 224.300 2.645 0 50 BFAA C[C@@H]1C[C@@H](N)CCN1C(=O)CCCC(C)(C)C 237467996 KHNUENFSEYRMCJ-NEPJUHHUSA-N 240.391 2.541 0 50 BFAA Cc1cnc(CNc2cccc(F)c2)nc1 335597402 UCSKMPYJSPNYAJ-UHFFFAOYSA-N 217.247 2.536 0 50 BFAA O=C(Nc1cccc2c[nH]nc12)C1[C@H]2CCC[C@H]12 408334547 PCEHNKLUKOGGOF-UWVGGRQHSA-N 241.294 2.548 0 50 BFAA CCc1nc(-c2ccc([C@@H](C)OC)cc2)n(C)n1 426393058 QAVDTPRCDAZSEH-SNVBAGLBSA-N 245.326 2.752 0 50 BFAA CCCc1cnc(C)nc1NC[C@@]1(C)CCCO1 670453403 RLWXUEYVEJFJSL-CQSZACIVSA-N 249.358 2.719 0 50 BFAA CCOC(=O)/C=C1/C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 757190497 KNNNXRZJFQEFHJ-VRIGTBGWSA-N 220.312 2.932 0 50 BFAA O=S(c1ccccc1)c1ccccc1 13563 JJHHIJFTHRNPIK-UHFFFAOYSA-N 202.278 2.853 0 50 BFAA biogenic,in-vitro CC(=O)c1sccc1Br 153408 ZUXPELAHJQSZTE-UHFFFAOYSA-N 205.076 2.713 0 50 BFAA in-vitro CO[C@H]1CC/C=C/CC/C=C/CC[C@@H]1O 409825 NZJRBFVCZFRVNJ-PETOHXRGSA-N 210.317 2.829 0 50 BFAA COC(=O)CCCCCCCCCC(=O)OC 1555765 LADJFIHHYMBJHB-UHFFFAOYSA-N 244.331 2.843 0 50 BFAA biogenic CCCNC(=O)Nc1ccccc1CC 2166539 GVAGTHGKZAJPCU-UHFFFAOYSA-N 206.289 2.781 0 50 BFAA CCOC(=O)c1cc2cc(OC)ccc2o1 2571869 IJCODAOXFYTGBS-UHFFFAOYSA-N 220.224 2.618 0 50 BFAA in-vitro O=C(COc1ccc(F)cc1)Nc1ccccc1 4870271 KKDITUMUIJSUCV-UHFFFAOYSA-N 245.253 2.843 0 50 BFAA Cc1ccc(Cn2nnc3ccccc32)s1 5417712 JZJNCPYXGLYBOX-UHFFFAOYSA-N 229.308 2.850 0 50 BFAA CC(C)(C)N[S@](=O)c1ccc(Cl)s1 8672886 AUICVSYDOCAONT-ZDUSSCGKSA-N 237.777 2.812 0 50 BFAA Cc1c(C(=O)OC(C)C)c2cc(O)ccc2n1C 11865342 XGLYJRWJDOQFEZ-UHFFFAOYSA-N 247.294 2.758 0 50 BFAA biogenic Cc1ccc2[nH]cc(C3=CCNCC3)c2c1 11919669 OMZNYPYIJITEIM-UHFFFAOYSA-N 212.296 2.853 0 50 BFAA in-vitro C1COC2(CCC3C4CSCC3C4CC2)O1 38590715 PSYWPGLGRZBUFS-UHFFFAOYSA-N 240.368 2.529 0 50 BFAA Cc1ccccc1-c1cc(C(=O)O)ccn1 41226814 YIYGNARQGCKWTI-UHFFFAOYSA-N 213.236 2.755 0 50 BFAA Oc1cc(Br)cc2ncccc12 79061955 DSLUBMAJPKDQJM-UHFFFAOYSA-N 224.057 2.703 0 50 BFAA CC[C@H](C)N(C(=O)[C@@H]1CCO[C@H]1C)[C@@H](C)CC 242346952 ZKNSKAIPTUAXLN-ZDEQEGDKSA-N 241.375 2.837 0 50 BFAA CCC1(O)CCN(Cc2cccc(C)c2)CC1 266577063 GGYKJAYVWCCUFV-UHFFFAOYSA-N 233.355 2.732 0 50 BFAA Cc1ccc2n[nH]cc2c1[C@@H]1CCCN[C@H]1C 757209996 GYWIWOJBJKNJRJ-WDEREUQCSA-N 229.327 2.727 0 50 BFAA C=CC(=O)N1C[C@@H](c2ccsc2)C[C@H]1C 952834757 LECGJEFCAQCBFY-KOLCDFICSA-N 221.325 2.639 0 50 BFAA N[C@H](CC1CC1)C1(O)CCCCCCC1 958528966 ZZIOPLBRGWIRTK-GFCCVEGCSA-N 211.349 2.589 0 50 BFAA C[C@]12C[C@H]1CN(c1noc(-c3ccccc3)n1)C2 1800414162 LUNKRKODDCRJAV-SMDDNHRTSA-N 241.294 2.583 0 50 BFAA O=C(c1ccco1)c1coc2ccccc2c1=O 187372 IVLWWPLBBZTWPO-UHFFFAOYSA-N 240.214 2.617 0 50 BFAA biogenic CCOC(=O)c1[nH]c2ccc(C)cc2c1C 187636 SOBSEOUZZDHRIZ-UHFFFAOYSA-N 217.268 2.961 0 50 BFAA Nc1ncc(Cc2cccc(Cl)c2)s1 298379 TWPTUTQCRHZBBC-UHFFFAOYSA-N 224.716 2.970 0 50 BFAA in-vitro O=C(CSc1ccccc1)Nc1cccnc1 308981 QJNZVFBWTHHWQM-UHFFFAOYSA-N 244.319 2.812 0 50 BFAA C[C@@H](O)COc1ccc(C(C)(C)C)cc1 395006 ZBMCOYJNWKBBCY-SNVBAGLBSA-N 208.301 2.744 0 50 BFAA CCN1CCC(NC[C@@H](C)c2ccccc2)CC1 757071 TVWYWFMGRXMJJB-CQSZACIVSA-N 246.398 2.864 0 50 BFAA Fc1cnc(Cl)c(Br)c1 2384092 NKUUDYHEWVWETB-UHFFFAOYSA-N 210.433 2.637 0 50 BFAA in-vitro N[C@@H](c1ccc(Cl)cc1)c1cccnc1 6677971 BGUVQMLTPOSSPH-LBPRGKRZSA-N 218.687 2.783 0 50 BFAA in-vitro CCc1ccc2c(c1)c(C)c(C(=O)O)n2C 13610668 HYTAYHVZIPWDQJ-UHFFFAOYSA-N 217.268 2.747 0 50 BFAA in-vitro CC(C)(C)C(=O)Nc1ccnc(Cl)c1C=O 14400959 YALAVAYMNJCEBU-UHFFFAOYSA-N 240.690 2.532 0 50 BFAA in-vitro CC(C)(C)OC(=O)Nc1nccc(Cl)c1O 14400962 XNPOKIQJADWOCY-UHFFFAOYSA-N 244.678 2.788 0 50 BFAA in-vitro Nc1ncc(-c2c[nH]c3ccccc23)s1 34925344 LNABUUAHFCFGIE-UHFFFAOYSA-N 215.281 2.874 0 50 BFAA in-vitro CC(C)c1nc(N)sc1Br 57502112 PLPKYAYJIVQOEL-UHFFFAOYSA-N 221.123 2.611 0 50 BFAA in-vitro COCCOc1ccc(Br)cc1F 65337266 YYDUGTYDKJLBOO-UHFFFAOYSA-N 249.079 2.613 0 50 BFAA COc1ccc2c3c([nH]c2c1)C(C)=NCC3 100014157 RERZNCLIYCABFS-UHFFFAOYSA-N 214.268 2.542 0 50 BFAA endogenous,in-man CCOC(=O)[C@@H]1[C@H]2CCc3ccccc3[C@@H]21 101021648 XDYQDLVZJKAJBM-RWMBFGLXSA-N 216.280 2.526 0 50 BFAA O=C1CCC2(CC1)OCc1ccccc12 114273219 WYCAULLRAUQXQI-UHFFFAOYSA-N 202.253 2.555 0 50 BFAA Nc1cc(Cl)cc(-c2ccncc2)c1 142626329 LVFYDYXJRKSQNN-UHFFFAOYSA-N 204.660 2.984 0 50 BFAA COc1cccc(-c2noc(C(C)(C)OC)n2)c1 170089579 LJRRMNURTJVEPY-UHFFFAOYSA-N 248.282 2.627 0 50 BFAA CS[C@@H]1CC[C@H](Nc2nc(C)cnc2C)C1 195563871 PVYSCYILDKTKRE-WDEREUQCSA-N 237.372 2.789 0 50 BFAA COc1cccc(Oc2ccc(O)cn2)c1 261494220 SCBXEBNOKLSKHP-UHFFFAOYSA-N 217.224 2.588 0 50 BFAA C[C@H]1C[C@@H](C)O[C@@H]1c1nc(-c2ccoc2)no1 289157893 UHHALKIMTCRBLP-XKSSXDPKSA-N 234.255 2.816 0 50 BFAA CC(=O)N[C@H](C)c1cc2cccc(F)c2o1 335213403 SPQZFKZDBXMWQA-SSDOTTSWSA-N 221.231 2.769 0 50 BFAA COc1cc(-c2cccc(F)c2C=O)ccn1 395117590 RXNCGYSMJIBMFN-UHFFFAOYSA-N 231.226 2.709 0 50 BFAA FC(F)(F)COc1ncnc2ccccc12 585651133 ANWMUMKUDZMJFC-UHFFFAOYSA-N 228.173 2.571 0 50 BFAA CC(C)(O)[C@H]1CCN(C2CCCCCC2)C1 721787668 HNHZKPYYIJUNKZ-LBPRGKRZSA-N 225.376 2.802 0 50 BFAA Cc1cc2ccccc2nc1C(=O)NC1CCC1 874443038 YWAWGHHLORJITD-UHFFFAOYSA-N 240.306 2.826 0 50 BFAA C[C@@H]1CCCCc2nnc(C3CCC3)n21 1875249794 BHWPCXVCXKWMIF-SECBINFHSA-N 205.305 2.833 0 50 BFAA Cc1cccc(Cc2cnc(N)s2)c1 97524 MGQBSRMDCGCJHR-UHFFFAOYSA-N 204.298 2.625 0 50 BFAA in-vitro NC(=S)c1cccc(Cl)c1Cl 166015 PRRMJTDPKZBCCQ-UHFFFAOYSA-N 206.097 2.628 0 50 BFAA in-vitro CCCN1C(=O)c2cccc3cccc(c23)C1=O 4952798 BLCHPNPGXFDKHO-UHFFFAOYSA-N 239.274 2.846 0 50 BFAA O=C(O)C1(c2ccc(C(F)(F)F)cc2)CC1 20357934 VVUFHHAYGVZPTQ-UHFFFAOYSA-N 230.185 2.822 0 50 BFAA in-vitro CN1CCN(Cc2ccc3sccc3c2)CC1 20541299 DUZSQNFRPAGJCH-UHFFFAOYSA-N 246.379 2.649 0 50 BFAA O=C(O)c1ccnc2cc(Cl)ccc12 26475325 TXYVRYRRTQYTHJ-UHFFFAOYSA-N 207.616 2.586 0 50 BFAA in-vitro CC[C@H](CCCOc1ccccc1)C(=O)O 34181897 FXVGIBBWOHNAND-LLVKDONJSA-N 222.284 2.956 0 50 BFAA CCC(CC)NC(=O)COc1ccccc1F 49535056 PJQPAAIXZWMWBZ-UHFFFAOYSA-N 239.290 2.509 0 50 BFAA CC(C)(C(=O)c1ccccc1)N1CCCC1 85739847 BXIVTSQKQZICAD-UHFFFAOYSA-N 217.312 2.744 0 50 BFAA CSc1cc(C)cnc1Br 95616435 HWQGIEJQMVDGEY-UHFFFAOYSA-N 218.119 2.874 0 50 BFAA Fc1ccnc(OCCC(F)(F)F)c1 169725408 AUGZVWLILUWGFM-UHFFFAOYSA-N 209.142 2.552 0 50 BFAA Cc1ccc(NC(=O)N2CC[C@@H]3CCC[C@@H]32)cn1 681774440 XNNZVQDUISXFIH-AAEUAGOBSA-N 245.326 2.796 0 50 BFAA CC(=O)N(C)C1(c2cccc(Cl)c2)CC1 1875317815 JPDHVUDWKSBLFC-UHFFFAOYSA-N 223.703 2.807 0 50 BFAA Brc1cccc2cccnc12 158601 PIWNKSHCLTZKSZ-UHFFFAOYSA-N 208.058 2.997 0 50 BFAA in-vitro O=C(Nc1ccccc1)C(Cl)(Cl)Cl 254996 GUYVJLNKTIYUON-UHFFFAOYSA-N 238.501 2.995 0 50 BFAA COc1ccccc1NC(=O)Nc1cccnc1 318925 GXPNSFDRGMRUJM-UHFFFAOYSA-N 243.266 2.734 0 50 BFAA NC(=O)c1cccnc1Oc1cccc(Cl)c1 984092 CZSWNYIDVFMMTR-UHFFFAOYSA-N 248.669 2.626 0 50 BFAA O=C(c1cc2c(s1)CCCC2)n1cccn1 1055163 XOAWSFDIQVIAMI-UHFFFAOYSA-N 232.308 2.512 0 50 BFAA COc1ccc(/C=C/C(C)=C\C(=O)O)c(OC)c1 1214926 VYGXWZWHPWTGRW-OOFLMXFCSA-N 248.278 2.748 0 50 BFAA CN(C)CCCOc1ccccc1Cl 2823418 UNFVBIKYMRESAE-UHFFFAOYSA-N 213.708 2.671 0 50 BFAA Cc1ccc(F)cc1NC(=O)c1ccncc1 3333419 CUFWRVYZYQAQCS-UHFFFAOYSA-N 230.242 2.781 0 50 BFAA CCCOc1ccc2cc(C(=O)OC)[nH]c2c1 4235017 LKIGYMCFNJXBLY-UHFFFAOYSA-N 233.267 2.743 0 50 BFAA CCCCn1c([C@@H](C)NC=O)nc2ccccc21 4810114 FNXGTBITEZHEFI-LLVKDONJSA-N 245.326 2.643 0 50 BFAA CC(=O)Oc1c(C(C)=O)ccc2ccccc12 4948008 JCMFEMFOKRPFKG-UHFFFAOYSA-N 228.247 2.968 0 50 BFAA Cc1ccc(C)c(CN2CCSCC2)c1 4990177 PLVKZAZSHMHQQG-UHFFFAOYSA-N 221.369 2.852 0 50 BFAA Cc1ccc(C)c(CC[C@H](C)C(=O)O)c1 5379918 IQQRCAWQIUUADX-NSHDSACASA-N 206.285 2.957 0 50 BFAA CCn1c2ccc(C)cc2c2n[nH]c(=S)nc21 5686880 DAKIBQUGTDRBTN-UHFFFAOYSA-N 244.323 2.970 0 50 BFAA Clc1ccccc1CSc1ncn[nH]1 17885861 VFVGHCLXBZSMAE-UHFFFAOYSA-N 225.704 2.750 0 50 BFAA Fc1ncc(Br)cc1Cl 21981946 WXKLHBHJIBAXQH-UHFFFAOYSA-N 210.433 2.637 0 50 BFAA in-vitro c1coc(CN[C@@H]2CCc3ccccc3C2)c1 23283421 JHCLZGWUKFWULK-CQSZACIVSA-N 227.307 2.927 0 50 BFAA O=C(O)c1cnc2c(Cl)cccc2c1 32099209 MKRMBCSRPJLONM-UHFFFAOYSA-N 207.616 2.586 0 50 BFAA in-vitro Cc1ccc(Cl)c2cc(C(=O)O)cnc12 32099513 CMJTVPDKPRZDHT-UHFFFAOYSA-N 221.643 2.895 0 50 BFAA in-vitro CSc1ccccc1-c1ncnc2nc[nH]c12 32597624 PVVDEBAJQMQEAF-UHFFFAOYSA-N 242.307 2.742 0 50 BFAA Nc1nc(Cl)cc(Nc2ccc(F)cc2)n1 43534317 ZBVOVRVQFDPCND-UHFFFAOYSA-N 238.653 2.595 0 50 BFAA CCCOc1ncc(Br)cc1C 65337541 UJJZJPKXSPIBPV-UHFFFAOYSA-N 230.105 2.941 0 50 BFAA in-vitro O=C(Cc1cccc(Cl)c1)NCc1ccco1 67785371 JDYVZJVSALTKKW-UHFFFAOYSA-N 249.697 2.792 0 50 BFAA Cc1ccc(CC(=O)OC(C)(C)C)cc1 68813126 JNXWYJWBRZOTAF-UHFFFAOYSA-N 206.285 2.879 0 50 BFAA CCc1cccc(N[C@@H]2CCCNCC2)c1 168705662 XJTNIPPVGJURKY-CYBMUJFWSA-N 218.344 2.803 0 50 BFAA Cc1ccc2[nH]c(C(=O)NCC3CC3)cc2c1C 172271691 ZAYGDFPFTYWYPI-UHFFFAOYSA-N 242.322 2.925 0 50 BFAA O=C(OC1CCCC1)[C@@H]1CCCc2cccnc21 193764286 LDJHFFNMLXHEBQ-CYBMUJFWSA-N 245.322 2.987 0 50 BFAA CCc1ccc2ncn(C3(C)CCC3)c(=O)c2c1 584896158 QLXMFEIADKCAOT-UHFFFAOYSA-N 242.322 2.858 0 50 BFAA C=CC(=O)NC[C@H](c1ccccc1)C(C)(F)F 1776005624 MFIXCZOEMGGPTO-LLVKDONJSA-N 239.265 2.728 0 50 BFAA c1cc(CNC[C@@H]2C[C@@H]3CC[C@@H]32)c2cc[nH]c2n1 2325807348 SXSZEGVFHGTXBC-DRZSPHRISA-N 241.338 2.699 0 50 BFAA Cc1[nH]c2ccccc2c1[C@@H](O)c1ccccn1 71957 FHXILHLUEFRUNP-HNNXBMFYSA-N 238.290 2.953 0 50 BFAA CCCOC[C@@H](C)OC(=O)c1ccccc1 3122396 MKFCIVQLIHXEON-LLVKDONJSA-N 222.284 2.659 0 50 BFAA Cc1ccc(N2C(=O)C(C)(C)C(C)(C)C2=O)cc1 4783281 QSZRUWAVHJTMHV-UHFFFAOYSA-N 245.322 2.921 0 50 BFAA COc1cc(C(=O)O)c(Cl)cc1OC(C)C 5027771 SJDKPTLZBDUBFM-UHFFFAOYSA-N 244.674 2.834 0 50 BFAA CC[C@H](C)N1CCN(C[C@@H]2CC=CCC2)CC1 19790194 YVMFYUQRJHTFPJ-LSDHHAIUSA-N 236.403 2.759 0 50 BFAA COC(=O)COc1ccc(C(C)C)c(C)c1 20297738 UUYHBNHYMBWOGF-UHFFFAOYSA-N 222.284 2.670 0 50 BFAA FC(F)(F)c1ccc2c(c1)[C@@H]1CNC[C@H]2C1 28526242 RNOBTWYQAWEZHH-SFYZADRCSA-N 227.229 2.880 0 50 BFAA CC(C)=CCC[C@H](C)NCC1(CO)CCC1 32592806 LZFWOWUMKQRMDR-ZDUSSCGKSA-N 225.376 2.874 0 50 BFAA CCCC[C@@H](CC)C1OCC(N)(CC)CO1 34381358 HUCQDJSIEQSMGW-PNESKVBLSA-N 229.364 2.683 0 50 BFAA Clc1nccc2c(Br)c[nH]c12 44713178 OIJZBNOCPJWYJU-UHFFFAOYSA-N 231.480 2.979 0 50 BFAA in-vitro Clc1nc2[nH]ccc2cc1Br 44713369 GRDJQIJVCMSPFF-UHFFFAOYSA-N 231.480 2.979 0 50 BFAA in-vitro COC(=O)C[C@@H](N)c1ccc(Cl)c(Cl)c1 57353613 ICBZGDYJXAEMPV-SECBINFHSA-N 248.109 2.556 0 50 BFAA C[C@@H](CCCOc1ccccc1)C(=O)O 57495301 RZHFVRRFSUXIMP-JTQLQIEISA-N 208.257 2.566 0 50 BFAA O=C(O)c1cc(-c2ccc(F)cc2F)ccn1 65347580 YWDILFQLNVGMGN-UHFFFAOYSA-N 235.189 2.725 0 50 BFAA CNC(=O)CCc1cccc2ccccc12 67338855 PTOZTUAPPARXHP-UHFFFAOYSA-N 213.280 2.518 0 50 BFAA COc1cc(N2CCC(C)CC2)ccc1N 77331222 NMHMISAXBJWREF-UHFFFAOYSA-N 220.316 2.514 0 50 BFAA Cc1cc(Br)cc([N+](=O)[O-])c1C#N 115915120 AFFIDZVLJDEVLY-UHFFFAOYSA-N 241.044 2.537 0 50 BFAA C[C@@H](NO)c1cccc(C(F)(F)F)c1 131985264 DEMLQIXIOMGTBA-ZCFIWIBFSA-N 205.179 2.745 0 50 BFAA CC1=C(C)CN(C(=O)c2cccnc2C)CC1 225469830 XAGAMJUJYZIQBA-UHFFFAOYSA-N 230.311 2.572 0 50 BFAA COc1ccc(C)cc1NC(C)(C)CCO 257354945 GGFCTGZWMVVREO-UHFFFAOYSA-N 223.316 2.577 0 50 BFAA O=C(O)c1ccc(-c2ccnc3[nH]ccc23)o1 534645959 ZCKKMKHDAKBMPU-UHFFFAOYSA-N 228.207 2.521 0 50 BFAA CCOC(=O)Cc1ccc(N)c2ccccc12 585656313 NYSNOLRCWSIIMB-UHFFFAOYSA-N 229.279 2.528 0 50 BFAA COc1ccc(N[C@@H]2COC[C@H]2C)cc1Cl 687996772 KRPUYNMAUAYVBK-LDYMZIIASA-N 241.718 2.795 0 50 BFAA CC(=O)Nc1ccc(C(F)(F)F)cc1 92917 DFDHFECLWHHELH-UHFFFAOYSA-N 203.163 2.664 0 50 BFAA NCC[C@@H](Cc1ccccc1)c1ccco1 105977 VXTXUDSXGALJHG-ZDUSSCGKSA-N 215.296 2.955 0 50 BFAA O=C(CCC1CCCCC1)NC[C@H]1CCCO1 433999 QRFBCFXKGGHMBD-CYBMUJFWSA-N 239.359 2.642 0 50 BFAA c1ccc(-c2cc(N3CCCC3)ncn2)cc1 1286859 VZSDQKQDVAXDRC-UHFFFAOYSA-N 225.295 2.744 0 50 BFAA O=C(O)CSc1ccc(C(F)(F)F)cc1 2504787 MBVVWIKWEHKYGF-UHFFFAOYSA-N 236.214 2.882 0 50 BFAA in-vitro CCn1ncc(NC(=O)c2ccccc2C)c1C 2796457 TVBRINMKCMHLPF-UHFFFAOYSA-N 243.310 2.772 0 50 BFAA COc1ccc(Nc2nc(C)cc(C)n2)cc1 3159490 QWXCCRCTIXSUFC-UHFFFAOYSA-N 229.283 2.846 0 50 BFAA COc1ccc(C(F)(F)F)cc1NC(C)=O 4867439 GYTRZNLJNMZADR-UHFFFAOYSA-N 233.189 2.672 0 50 BFAA Cc1nc(SCc2ccccc2)[nH]c(=O)c1C 5155234 VAKYIGGBKLFYJY-UHFFFAOYSA-N 246.335 2.679 0 50 BFAA Brc1[nH]cnc1-c1ccccc1 5908596 WWEWUNPNFOWRQI-UHFFFAOYSA-N 223.073 2.839 0 50 BFAA in-vitro Cc1cc2n(n1)S[C@@H](Nc1ccccc1C)N2 6969284 IXAGUZYMLMKWCO-LBPRGKRZSA-N 246.339 2.817 0 50 BFAA COc1ccc(CNc2cccnc2)cc1OC 19884117 IEMZUJNOCFNBGP-UHFFFAOYSA-N 244.294 2.711 0 50 BFAA Cc1nc(C(=O)N[C@H](C)c2ccc(F)cc2)co1 22538586 PQBKRILOZCOXJY-MRVPVSSYSA-N 248.257 2.613 0 50 BFAA CCOc1ccc(Br)cc1F 34308181 ZMTIHOQUIPYSQK-UHFFFAOYSA-N 219.053 2.987 0 50 BFAA in-vitro COCc1ccc(NC(=O)OC(C)(C)C)nc1 71261631 ZNEJHVSCPDYMRL-UHFFFAOYSA-N 238.287 2.575 0 50 BFAA O=C(O)Cc1ccc(Br)c(Cl)c1 78710634 RMGCJLITIJXUAB-UHFFFAOYSA-N 249.491 2.730 0 50 BFAA in-vitro CCCn1cnc2cc(C(=O)OCC)ccc21 95496117 IIHMKGKXUJMFML-UHFFFAOYSA-N 232.283 2.623 0 50 BFAA Cc1nc2ccccc2nc1S[C@H]1CCOC1 188293156 LGZNLTSVLPYTBK-JTQLQIEISA-N 246.335 2.819 0 50 BFAA CCc1ccc(Br)cc1CO 215338108 JTSOKPHJUZMCFH-UHFFFAOYSA-N 215.090 2.504 0 50 BFAA C[C@H]1C[C@@H](C)CN(CN2C[C@@H](C)C[C@@H](C)C2)C1 222525765 FWHHSHGFMAGIGE-NMWPEEMBSA-N 238.419 2.900 0 50 BFAA CCCC[C@H](C)c1nc(-c2ncccn2)no1 252500491 SWSUONDYMNEXRY-VIFPVBQESA-N 232.287 2.820 0 50 BFAA CCc1cccc(CN2CCC[C@](C)(O)CC2)c1 280194810 UJFMMDKTTRJMAB-INIZCTEOSA-N 247.382 2.986 0 50 BFAA C1=CO[C@@H](CN[C@@H]2CCC23CCCC3)CC1 309655942 ZHPMGCSPWZXOPE-CHWSQXEVSA-N 221.344 2.992 0 50 BFAA CC[C@H]1CCN1C(=O)C(C)(C)C(C)(F)F 335468271 OZUXDRLXXBARCW-QMMMGPOBSA-N 219.275 2.679 0 50 BFAA O=C1CCC2(CC1)NN=C(c1ccccc1)S2 670431813 TYVMYCYQIYTSKZ-UHFFFAOYSA-N 246.335 2.524 0 50 BFAA c1nc(C2CC2)cc(N2C[C@H]3CC[C@H](C3)C2)n1 670451557 CBGOCDQBMKHPBS-PHIMTYICSA-N 229.327 2.590 0 50 BFAA Nc1cccn2cc(-c3ccccc3)nc12 128611 FVIINQSYAIPCRO-UHFFFAOYSA-N 209.252 2.584 0 50 BFAA O=C(Nc1ccc(Cl)cc1)Nc1cnccn1 984048 NQHFHFYENWVAMG-UHFFFAOYSA-N 248.673 2.774 0 50 BFAA COC(C[C@@H](C)CCCC(C)(C)O)OC 1707854 QCJVKUULZGKQDG-JTQLQIEISA-N 218.337 2.573 0 50 BFAA endogenous,in-man Cc1c(Cl)cc(S(=O)(=O)O)cc1Cl 2165012 BKFMTSFTLSYCKS-UHFFFAOYSA-N 241.095 2.549 0 50 BFAA biogenic CNCCOc1ccccc1C(C)(C)C 2845042 JHGQZQSIKLEBGN-UHFFFAOYSA-N 207.317 2.582 0 50 BFAA COc1cccc([C@H]2CCCC[C@H]2O)c1OC 12371648 XJDQMUVUAKSPLF-ZYHUDNBSSA-N 236.311 2.722 0 50 BFAA CCN1CCC(N(CC)Cc2ccccc2)CC1 35335423 KMYNELBIYPLPFD-UHFFFAOYSA-N 246.398 2.993 0 50 BFAA CNc1nc(N2CCCCC2)nc2ccccc12 41146675 KAQTUJPEUXITRC-UHFFFAOYSA-N 242.326 2.662 0 50 BFAA CCNc1ccnc(N[C@H]2CC[C@@H]3CCC[C@@H]32)n1 77538501 AAYFVZVKHVSMQU-SRVKXCTJSA-N 246.358 2.899 0 50 BFAA C[C@@H]1Cc2cc(Br)ccc2[C@@H]1N 215075519 ZQLAOTFDLUKLFM-LHLIQPBNSA-N 226.117 2.641 0 50 BFAA COC(=O)c1ccc(Cl)c(F)c1Cl 263625230 XXQCEIDMMAQXAF-UHFFFAOYSA-N 223.030 2.919 0 50 BFAA CCCc1cnc(NCCc2nccs2)nc1 670437470 IOEQLVKTWVGJPO-UHFFFAOYSA-N 248.355 2.540 0 50 BFAA Cc1nc2cc(-c3cnc(N)nc3)ccc2s1 1243874141 ARDVQUZLGRDODM-UHFFFAOYSA-N 242.307 2.644 0 50 BFAA c1cc2c(s1)CCC[C@H]2CN1CCOCC1 1857795648 BWGHHMFJAACLEL-NSHDSACASA-N 237.368 2.500 0 50 BFAA C[C@H]1CN(C[C@@H]2C=CCCCC2)CCC1=O 1875281330 HVQFYYJZUXOWQB-QWHCGFSZSA-N 221.344 2.644 0 50 BFAA Cc1ccc(C(=O)NCC(C)C)cc1C 288387 QQUVHQBNRXQYIG-UHFFFAOYSA-N 205.301 2.689 0 50 BFAA CC(C)c1nc2ccccc2n1[C@H](C)C(=O)O 781084 RJIDVTBWWMPEGE-SECBINFHSA-N 232.283 2.805 0 50 BFAA CC(C)NC(=O)C[C@@H](C)c1ccccc1 860216 IAADGNRUCRJGLD-LLVKDONJSA-N 205.301 2.705 0 50 BFAA COC(=O)c1cccc(-c2ccccc2CO)c1 1256828 AZAODVJMGMUVTD-UHFFFAOYSA-N 242.274 2.633 0 50 BFAA O=C(O)Cc1cc(C(F)(F)F)ccc1Cl 2382128 PDKWZFJSOMUXLE-UHFFFAOYSA-N 238.592 2.986 0 50 BFAA in-vitro CC[C@@H](NC(=O)C1CC1)c1ccccc1 2765926 MKLNLCLJYJQFQC-GFCCVEGCSA-N 203.285 2.664 0 50 BFAA Cn1c2ccccc2c2ccc(CC(=O)O)cc21 2999610 HWMOWQJUBCIBME-UHFFFAOYSA-N 239.274 2.959 0 50 BFAA Cc1ccc2oc(-c3cc(N)cc(N)c3)nc2c1 4414648 CCYMLQQQUHOMQK-UHFFFAOYSA-N 239.278 2.968 0 50 BFAA Cc1ccc(C(=O)Nc2cccc(N)c2)cc1 7468108 SEVIOCGFMOIHPH-UHFFFAOYSA-N 226.279 2.830 0 50 BFAA in-vitro CCCCNC(=O)c1cccc(NC(=O)CC)c1 12138807 WAHGNIIASUUJPK-UHFFFAOYSA-N 248.326 2.565 0 50 BFAA CCc1noc(C)c1C(=O)NC1CCCCC1 13329510 XLUAWYATTVWDHT-UHFFFAOYSA-N 236.315 2.608 0 50 BFAA CC(C)(C)OC(=O)Nc1ccc(F)nc1 32918895 FXGNEIOGSGKPFL-UHFFFAOYSA-N 212.224 2.568 0 50 BFAA in-vitro CC[C@H](C(=O)c1ccccc1)N1CCCC1 37332158 GSESDIFGJCCBHN-CYBMUJFWSA-N 217.312 2.744 0 50 BFAA in-vitro Nc1c(OC(F)(F)F)ccc2ncccc12 38537320 LQSPPETUJPXBHI-UHFFFAOYSA-N 228.173 2.716 0 50 BFAA in-vitro CCOC(=O)C1(N2CCCCC2)CCCCC1 96026471 CHZVTELDCZXWRN-UHFFFAOYSA-N 239.359 2.738 0 50 BFAA CCO[C@H](C)c1nccn1Cc1nc(C)c(C)o1 124299318 BNKVMYHFKANOBL-LLVKDONJSA-N 249.314 2.634 0 50 BFAA COC(=O)c1cc2c(Cl)nccc2s1 238390725 GSMBIBQIYVACCI-UHFFFAOYSA-N 227.672 2.736 0 50 BFAA in-vitro COc1ccc2[nH]cc(-c3ccc(=N)[nH]c3)c2c1 426584880 UNZXWFGNSPMOSC-UHFFFAOYSA-N 239.278 2.651 0 50 BFAA c1ccc2c(CN3C4CCC3CC4)n[nH]c2c1 678131912 RBKJEMNGSFAOPM-UHFFFAOYSA-N 227.311 2.690 0 50 BFAA C[Si](C)(C)C(F)(F)C(F)(F)n1cccn1 1083805754 YHZOSFRKJMWFIE-UHFFFAOYSA-N 240.276 2.945 0 50 BFAA c1cn(C2CC2)c(-c2ccc3c(c2)OCO3)n1 1875245479 BIRSVLOCVRDGFQ-UHFFFAOYSA-N 228.251 2.614 0 50 BFAA Cc1cc(-c2nccn2C2CC2)ccc1O 1875248034 VOQPKOLZDPNQRB-UHFFFAOYSA-N 214.268 2.899 0 50 BFAA COc1cccc2ccc(NC(=O)C3CC3)nc12 2325757830 PQBCFFCSDQPWJX-UHFFFAOYSA-N 242.278 2.592 0 50 BFAA Nc1cccnc1Oc1ccc(F)cc1 93341 GMDOUPKGOUGJHO-UHFFFAOYSA-N 204.204 2.595 0 50 BFAA in-vitro Oc1cccc2c(Br)ccnc12 1856922 CNBUFEUMIIGYIU-UHFFFAOYSA-N 224.057 2.703 0 50 BFAA in-vitro CCOC(=O)CCCC(=O)c1ccc(F)cc1 2574588 TWLQYFQKWODQQD-UHFFFAOYSA-N 238.258 2.742 0 50 BFAA O=C1Nc2ccccc2[C@H]1c1ccccc1 3957946 PAMMIXSSIGTOAK-CYBMUJFWSA-N 209.248 2.771 0 50 BFAA in-vitro Clc1nc(-c2ccccc2)c2[nH]cnc2n1 8382268 YJQPCOGQQFUKPV-UHFFFAOYSA-N 230.658 2.673 0 50 BFAA COc1ccc(-c2ccnc(Cl)n2)cc1 16124227 TZERORVMIAWOMA-UHFFFAOYSA-N 220.659 2.806 0 50 BFAA C[C@](O)(CNCc1ccccc1)c1ccccc1 26897875 AQNMRRLWGULCLS-INIZCTEOSA-N 241.334 2.684 0 50 BFAA CC(C)(C)c1ccc(-c2nc(N)no2)cc1 28404117 XAMGFSAZAYEVAS-UHFFFAOYSA-N 217.272 2.616 0 50 BFAA C[C@@H](c1ccccc1)N1CCC(=O)C[C@H]1C 33945396 XOGIRAQPVLKDBV-NEPJUHHUSA-N 217.312 2.801 0 50 BFAA COc1ccccc1OCCNCCC(C)C 48521483 PTQSLFBFRGCYIV-UHFFFAOYSA-N 237.343 2.710 0 50 BFAA Brc1cnc2c(c1)CCCC2 71260707 FKERWWYCYWMBHC-UHFFFAOYSA-N 212.090 2.723 0 50 BFAA in-vitro CCC[C@H](C)c1nccn1CCN1CCCC1 71774600 MMEOBAPWXXOEFX-ZDUSSCGKSA-N 235.375 2.883 0 50 BFAA Cc1cccc(NC(=O)[C@H](C)n2cccc2)c1 130142086 UARMHTFEZFIQHL-LBPRGKRZSA-N 228.295 2.996 0 50 BFAA CCC(CC)Nc1ccc2c(c1)C(=O)NC2 134498516 DHAPTBBJBGNJBJ-UHFFFAOYSA-N 218.300 2.531 0 50 BFAA CC1(C(=O)NCc2cccc3cccnc23)CC1 151002057 XTNNIGFJPVQOHZ-UHFFFAOYSA-N 240.306 2.651 0 50 BFAA CC(C)(C)c1nnc2n1CCCCCC2 202802045 WNGKBDNRTWHJQK-UHFFFAOYSA-N 207.321 2.692 0 50 BFAA COc1c(Cl)cc(O)cc1OC(C)C 261493448 BHEHVEFMMOGKGD-UHFFFAOYSA-N 216.664 2.841 0 50 BFAA C[C@@H]1CC[C@@H](C)N(c2ncnc3[nH]ccc23)C1 266426276 BUKPPXDFLRKBLN-NXEZZACHSA-N 230.315 2.583 0 50 BFAA Cc1cn(C)c(C)cc1=Nc1ccccc1 334156967 WWABHEDVYUDLTF-UHFFFAOYSA-N 212.296 2.874 0 50 BFAA CCC=CCOC(=O)c1cccc2[nH]ncc12 1857533044 CAYLIMRORBDQID-UHFFFAOYSA-N 230.267 2.686 0 50 BFAA COC(=O)c1cc(Cl)sc1Cl 156638 VCXPHMKCDRPIDG-UHFFFAOYSA-N 211.069 2.842 0 50 BFAA CCOC(=O)[C@@H]1CCCCN1Cc1ccccc1 207498 WCGHYUMBCGJLQB-AWEZNQCLSA-N 247.338 2.604 0 50 BFAA c1cc(CN2CCC(N3CCCCC3)CC2)co1 212705 IDNRTJYXLFFYFE-UHFFFAOYSA-N 248.370 2.730 0 50 BFAA Nc1ccccc1NC(=O)c1ccccc1 225957 RFDVMOUXHKTCDO-UHFFFAOYSA-N 212.252 2.521 0 50 BFAA biogenic,in-vivo Cc1ccc(SCCNC(=O)C(C)C)cc1 2836188 KCTSNIIRGUHLAC-UHFFFAOYSA-N 237.368 2.859 0 50 BFAA O=C(O)c1cccnc1Nc1ccccc1F 3278063 APJRFLHMLYOPJK-UHFFFAOYSA-N 232.214 2.663 0 50 BFAA COCCNCc1ccc(-c2ccccc2)o1 4942847 WOTCACWKGBURSX-UHFFFAOYSA-N 231.295 2.683 0 50 BFAA CSc1cccc(NC2CCN(C)CC2)c1 4981674 PSDNKNONSYYMRZ-UHFFFAOYSA-N 236.384 2.915 0 50 BFAA CCOC(=O)c1ccc(C)c2c1CCC2 5858148 ZZUHUGVNICWMQB-UHFFFAOYSA-N 204.269 2.660 0 50 BFAA in-vitro O=Cc1ccc(OC(F)F)c(OC(F)F)c1 15042189 IPHURZAZBKLMQJ-UHFFFAOYSA-N 238.136 2.702 0 50 BFAA in-vitro COc1ccc(Cl)cc1-c1c(C)noc1N 36937306 RUKDYKXZEAFBEN-UHFFFAOYSA-N 238.674 2.894 0 50 BFAA Cc1ccc(CC(=O)O)cc1C(F)(F)F 38529700 GDCOLUWREQNZSM-UHFFFAOYSA-N 218.174 2.641 0 50 BFAA in-vitro Cc1cccc(CNC(=O)C(C)(C)C)c1 44543817 GYSMCSWMAYQPRF-UHFFFAOYSA-N 205.301 2.657 0 50 BFAA O=C(O)c1sc2ncccc2c1-n1cccc1 45795967 YJRJSALGCBMANH-UHFFFAOYSA-N 244.275 2.785 0 50 BFAA in-vitro Nc1nccc(-c2ccc(F)cc2Cl)n1 67773197 VBEUAPUOGFURCF-UHFFFAOYSA-N 223.638 2.518 0 50 BFAA CC1(C)[C@H]2CCCC[C@H]2[C@@H]1NCCn1ccnc1 121777664 ZCRCQHNNNWENIG-RDBSUJKOSA-N 247.386 2.688 0 50 BFAA CCOC(=O)C[C@@H]1CCc2cc(F)ccc21 143469415 GANKZZYXVVRHAW-JTQLQIEISA-N 222.259 2.809 0 50 BFAA CC(C)CCNC1CCC(CN(C)C)CC1 190788107 XBKYUKDBOKSTAG-UHFFFAOYSA-N 226.408 2.743 0 50 BFAA CCOc1ccc2[nH]c3c(c2c1)CCC[C@@H]3N 214057503 YUJPBAZGLXHKKI-LBPRGKRZSA-N 230.311 2.903 0 50 BFAA OC1[C@H]2C=C[C@H]1[C@H]1[C@H]3C[C@@H](c4ccccc43)[C@H]21 247750646 SEETXPIYCYPGLK-LZXPERKUSA-N 224.303 2.680 0 50 BFAA C[C@@H]1CN(CCCC(=O)O)[C@@H]1c1ccccc1 299753678 YYGVVKJGQUULKB-RISCZKNCSA-N 233.311 2.544 0 50 BFAA CC(C)CC(=O)N1CCC(C(F)F)CC1 335331546 JZVJWQIMDSQTNP-UHFFFAOYSA-N 219.275 2.536 0 50 BFAA CC[C@@H](C)CN(CC)c1ncnc2[nH]ccc12 358990081 RRYONNFEQVWVMI-SNVBAGLBSA-N 232.331 2.830 0 50 BFAA CCCc1nnc(-c2ccc(OC)nc2)s1 426503408 DJVMBXLQHZQKDF-UHFFFAOYSA-N 235.312 2.561 0 50 BFAA C[C@@H](NCC1(C(=O)O)CC1)[C@H](C)c1ccccc1 577069536 KGPHEDSSEXBDJB-NWDGAFQWSA-N 247.338 2.633 0 50 BFAA CC1(C)OC(=O)N2CCc3ccccc3[C@@]21C 139767 KNBXITQUNJWIRE-CQSZACIVSA-N 231.295 2.689 0 50 BFAA O=C(O)CCc1cccc2ccccc12 155621 PRLKVVMRQFFIOQ-UHFFFAOYSA-N 200.237 2.857 0 50 BFAA biogenic,in-vitro COc1c(Cl)cccc1NC(=O)NC(C)C 396604 VQQPNAAOFZEWNZ-UHFFFAOYSA-N 242.706 2.879 0 50 BFAA O=C(Cc1ccccc1)Nc1ccccc1 410019 KYPIASPTMDEDQB-UHFFFAOYSA-N 211.264 2.868 0 50 BFAA biogenic,in-vitro CCCC(=O)Nc1ccc(Br)cn1 444542 GPUHGOJHYYRRJH-UHFFFAOYSA-N 243.104 2.583 0 50 BFAA in-vitro COC(=O)Cc1cccc(Cl)c1Cl 2526836 XUMYFVFSYKMRDF-UHFFFAOYSA-N 219.067 2.709 0 50 BFAA in-vitro CCOCCC(=O)Nc1ccc(F)c(Cl)c1 4827014 SIAVHDMDOONUBH-UHFFFAOYSA-N 245.681 2.844 0 50 BFAA Oc1cc(C(F)(F)F)nc2ccccc12 8648498 SUNAMHNJYSQUPL-UHFFFAOYSA-N 213.158 2.959 0 50 BFAA in-vitro Brc1ccc2ccccc2n1 12359388 QKJAZPHKNWSXDF-UHFFFAOYSA-N 208.058 2.997 0 50 BFAA in-vitro O=C1CCc2cc(C(F)(F)F)ccc21 19615593 AHSXMYSALCGWSP-UHFFFAOYSA-N 200.159 2.834 0 50 BFAA in-vitro Nc1nc2cccc(C(F)(F)F)c2s1 34446558 YMOKBGMXQWHOON-UHFFFAOYSA-N 218.203 2.897 0 50 BFAA in-vitro Cc1cccc(-c2cccc(C(=O)O)n2)c1 39927818 DYGBYJRFXDQSGW-UHFFFAOYSA-N 213.236 2.755 0 50 BFAA Nc1cc2ccc(Br)cc2cn1 64033574 FBTKUAFGTDENLW-UHFFFAOYSA-N 223.073 2.580 0 50 BFAA COC(=O)C1CCC2(CC1)CNc1ccccc12 91301977 FJBYWRPJPLSKLJ-UHFFFAOYSA-N 245.322 2.713 0 50 BFAA CCCS(=O)(=O)c1ccc(Cl)cc1 115986937 JUTHAQSZBVIJPB-UHFFFAOYSA-N 218.705 2.524 0 50 BFAA C1CCC([C@@H](N[C@@H]2CCOC2)C2CC2)CC1 134790236 PWTQEBPMZYTLRT-ZIAGYGMSSA-N 223.360 2.724 0 50 BFAA Fc1c(Br)ccc2c1NCC2 150111081 BJRQVQHXICYZMC-UHFFFAOYSA-N 216.053 2.556 0 50 BFAA CC(C)NC(=O)c1cscc1Br 286175382 OVEXGRIRDSHZOG-UHFFFAOYSA-N 248.145 2.649 0 50 BFAA Cc1cnc([C@H](C)N2CCC[C@](C)(F)C2)o1 336275367 IZUBONNENREMDT-JQWIXIFHSA-N 226.295 2.868 0 50 BFAA Fc1cnc(-c2cccc3cccnc23)nc1 426581060 XOXNIRJGGQFFSP-UHFFFAOYSA-N 225.226 2.831 0 50 BFAA CC(C)Cc1onc(-c2ccco2)c1C(=O)O 675058027 VEQCDWUCCZCJPI-UHFFFAOYSA-N 235.239 2.831 0 50 BFAA COc1cc(F)c(-c2cncc(O)c2)c(F)c1 1236580195 IFSRGPVOWSAPRY-UHFFFAOYSA-N 237.205 2.741 0 50 BFAA COc1ccc(-c2cn3cccnc3n2)cc1F 202294 CCIBRPFZGGFUFR-UHFFFAOYSA-N 243.241 2.544 0 50 BFAA COc1cc(CN[C@H]2CC[C@@H](C)C2)cc(OC)c1 277293 IUTHOWKMPJVEGB-YPMHNXCESA-N 249.354 2.982 0 50 BFAA CCO[C@]12CCCC[C@H]1C(=O)N2c1ccccc1 333301 WMQKYGLGFAQUCD-DZGCQCFKSA-N 245.322 2.956 0 50 BFAA O=C(O)Cc1ccccc1-c1ccccc1 1632980 YWPABLWXCWUIIT-UHFFFAOYSA-N 212.248 2.981 0 50 BFAA Cc1ccc(C(=O)C(Cl)(Cl)Cl)[nH]1 2029178 VKZUOGVHBCUWMI-UHFFFAOYSA-N 226.490 2.876 0 50 BFAA CCCCC(=O)Nc1ccc(C(=O)OCC)cc1 2057738 FGUZNRRPWKFLCV-UHFFFAOYSA-N 249.310 2.992 0 50 BFAA CC[C@@H](Oc1ccccc1Cl)C(=O)O 2581486 COHQCOPPYROAKU-MRVPVSSYSA-N 214.648 2.582 0 50 BFAA CCC(=O)c1ccc(OC(F)F)cc1 3251804 NKRQQCHFLGGBJT-UHFFFAOYSA-N 200.184 2.881 0 50 BFAA in-vitro c1cncc([C@H]2CCC3CCN2CC3)c1 3986697 WIEWCOLOPGXZDJ-CYBMUJFWSA-N 202.301 2.629 0 50 BFAA investigational CC1(C)C[C@@H](CNCc2ccco2)CCO1 4029648 VWITYRWDKHHLGB-NSHDSACASA-N 223.316 2.574 0 50 BFAA biogenic CCC(=O)Nc1cccc(OC(C)C)c1 8722919 QDMCRCYOUXGLAY-UHFFFAOYSA-N 207.273 2.822 0 50 BFAA Cc1scc(C(=O)NCc2cccnc2)c1C 16603448 UPUNWABRUNOGBY-UHFFFAOYSA-N 246.335 2.690 0 50 BFAA NN1[C@H](c2ccccc2)[C@H]1c1ccccc1 19168550 GXDYVAZATOFPPQ-ZIAGYGMSSA-N 210.280 2.658 0 50 BFAA C[C@H]1CN(Cc2ccccc2Cl)C[C@H](C)O1 19607244 WIZYVZWLXIGLSO-QWRGUYRKSA-N 239.746 2.949 0 50 BFAA c1cncc(CN[C@@H]2CCc3ccccc3C2)c1 23283117 CFCWSEPJYQLPOV-MRXNPFEDSA-N 238.334 2.729 0 50 BFAA Brc1cnc(OC2CCCC2)cn1 35635796 TWEFZMBEDSYDDO-UHFFFAOYSA-N 243.104 2.561 0 50 BFAA FC(F)(F)COc1cccc(Cl)n1 39280547 NAMSUQXNPIXZQF-UHFFFAOYSA-N 211.570 2.676 0 50 BFAA Clc1ccnc2c(Br)c[nH]c12 44712988 RSWACOURMIZDLI-UHFFFAOYSA-N 231.480 2.979 0 50 BFAA in-vitro C[C@H]1CNc2cc(Br)ccc2O1 62529552 VJWHRBJNHZTLQF-LURJTMIESA-N 228.089 2.642 0 50 BFAA in-vitro NCc1cccc(-c2cccc(C(=O)O)c2)c1 115668401 QWBBRIXJJGLUMO-UHFFFAOYSA-N 227.263 2.511 0 50 BFAA CN1C(=S)SC[C@@H]1c1ccccc1 146264129 VXMRRGIZCYGUAR-SECBINFHSA-N 209.339 2.691 0 50 BFAA Cc1c[nH]c2cc(Br)cnc12 206024808 UYLGTOMWWCDXOQ-UHFFFAOYSA-N 211.062 2.634 0 50 BFAA O=C(O)c1ccc(C(F)(F)C(F)F)cc1 220371590 KCDNIJOHCVUQTG-UHFFFAOYSA-N 222.137 2.742 0 50 BFAA CSc1ccc(N2CC[C@@H]3CCCC[C@H]32)nn1 253618458 IJFVEPXYQQMYHC-WDEREUQCSA-N 249.383 2.967 0 50 BFAA CCCN1C[C@@H](C)C[C@@H]1c1cccnc1 336536206 JOICXYRGSPNYBK-WCQYABFASA-N 204.317 2.875 0 50 BFAA Cc1ccc(N2CCC[C@@H](OCC3CC3)C2)nc1 408514188 KMALSKFADODNQE-CQSZACIVSA-N 246.354 2.785 0 50 BFAA CC[C@@H](OC)c1ncnn1Cc1ccc(C)cc1 822667813 YEMCIZWKQLTZGL-CYBMUJFWSA-N 245.326 2.732 0 50 BFAA C=CC(=O)N1CC[C@H](Cc2cccc(Cl)c2)C1 888098398 CMMWMULTFPNBRC-GFCCVEGCSA-N 249.741 2.917 0 50 BFAA CCCc1csc(-c2cc(N)ccn2)n1 1616035230 TWTFPAKIZLOLRB-UHFFFAOYSA-N 219.313 2.740 0 50 BFAA C/C=C(\C)c1cc2[nH]c(=N)[nH]c2cc1C 2325802159 MJMZAYTXHOGEIO-QPJJXVBHSA-N 201.273 2.707 0 50 BFAA O=C(O)CCc1ccc(-c2cccs2)[nH]1 54520 RZAOREOUQVDFQX-UHFFFAOYSA-N 221.281 2.760 0 50 BFAA in-vitro Brc1cccnc1Br 330773 SLMHHOVQRSSRCV-UHFFFAOYSA-N 236.894 2.607 0 50 BFAA Cc1cc(C)c(C(=O)OCc2ccccc2)[nH]1 391085 UBZQULOXHJSJTI-UHFFFAOYSA-N 229.279 2.989 0 50 BFAA O=C(Nc1cccc(Br)c1)C1CC1 398357 XOJAPHKOMSHQEI-UHFFFAOYSA-N 240.100 2.798 0 50 BFAA in-vitro Cc1ccc(S(=O)(=O)C(C)(C)C)c(C)c1 399334 GBVPPBQTHGXZEL-UHFFFAOYSA-N 226.341 2.876 0 50 BFAA CC[C@H](C)NC(=O)COc1c(C)cccc1C 612373 CTGLTPMLYNVPCN-LBPRGKRZSA-N 235.327 2.597 0 50 BFAA CCOC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2 3399190 NSZWVSKVSFAGFP-UHFFFAOYSA-N 249.310 2.655 0 50 BFAA CCOC(=O)c1c(CC(C)C)csc1N 3886324 WKTSGSNDSJZXHT-UHFFFAOYSA-N 227.329 2.706 0 50 BFAA in-vitro CCCCCC[C@H](C(=O)OC)c1ccno1 4038340 JAMJBCJOAAUFPR-JTQLQIEISA-N 225.288 2.902 0 50 BFAA NC(=O)c1cc2c(ccc3ccccc32)o1 4858383 VQMXMQWQEILHQK-UHFFFAOYSA-N 211.220 2.685 0 50 BFAA O=C(O)CCCCCC[C@H]1CCCC1=O 5105809 RPUNGFMSPXJEDK-JTQLQIEISA-N 212.289 2.781 0 50 BFAA Cc1cc(C(=O)N2CCCc3ccccc32)on1 6738070 BBWRDUDQVIOCOL-UHFFFAOYSA-N 242.278 2.576 0 50 BFAA Cc1ccc(N2CCCCCC2)c(N)c1 8702591 GSLPCAGRAZIKRY-UHFFFAOYSA-N 204.317 2.958 0 50 BFAA in-vitro Clc1ccccc1C[C@@H]1CCCNC1 15020866 IUBGLJZJXSXGHK-JTQLQIEISA-N 209.720 2.882 0 50 BFAA in-vitro Cc1ccc(CNC[C@@H](O)c2ccccc2)s1 19871960 RFESZRKCLAMAKV-CQSZACIVSA-N 247.363 2.880 0 50 BFAA Fc1ccc(Br)cc1CNC1CC1 22141096 TUGQAZYOTSHQHC-UHFFFAOYSA-N 244.107 2.840 0 50 BFAA Cc1ccc(CC(=O)NCC(C)C)c(C)c1 72437669 UEZYRVQTYOKZQJ-UHFFFAOYSA-N 219.328 2.618 0 50 BFAA COc1cccc(NC(=O)[C@H]2C[C@@H]2C(F)F)c1 225748145 RPTXQZCKNVWDKB-UWVGGRQHSA-N 241.237 2.535 0 50 BFAA CCOc1cccc(Br)c1F 261493893 LMPLQFAZCPTXJZ-UHFFFAOYSA-N 219.053 2.987 0 50 BFAA C1CC(c2noc(N3CCCC4(CC4)C3)n2)C1 335215446 CGWWRXRMZGEAKP-UHFFFAOYSA-N 233.315 2.718 0 50 BFAA COc1ccc(-c2nnc(C(C)C)s2)cn1 534638525 RGLBVCMZLRPZGZ-UHFFFAOYSA-N 235.312 2.732 0 50 BFAA O[C@@H]1CCCN(CC[C@H]2CCc3ccccc32)C1 659829693 TZFQVXVQAQQCJC-HUUCEWRRSA-N 245.366 2.563 0 50 BFAA CC(C)=CCC[C@H](C)CN1CCC(O)CC1 279283 BTYHNTIOIKYUEK-ZDUSSCGKSA-N 225.376 2.826 0 50 BFAA S=C1NC2(CCCC2)Cc2ccccc21 292896 WDNUJDALDRBGCM-UHFFFAOYSA-N 217.337 2.821 0 50 BFAA C[C@@H]1CCCC[C@H]1NC(=O)COc1ccccc1 388986 HRMBSUOPIATDGS-TZMCWYRMSA-N 247.338 2.760 0 50 BFAA O=C(Nc1ccon1)c1csc2c1CCCC2 1002479 OQHBHRHNSIGOFY-UHFFFAOYSA-N 248.307 2.867 0 50 BFAA CC(C)(C)CC(=O)NCc1cccs1 1054686 HVCIORGTBOEWQU-UHFFFAOYSA-N 211.330 2.801 0 50 BFAA Oc1ccc(CCc2ccc(O)cc2)cc1 1562031 URFNSYWAGGETFK-UHFFFAOYSA-N 214.264 2.883 0 50 BFAA biogenic,in-vitro CCOC(=O)c1occ(Cl)c1Cl 1703123 ATIVUHGBLWEVSL-UHFFFAOYSA-N 209.028 2.763 0 50 BFAA Cc1ccccc1OCc1ccc(C(=O)O)o1 2521388 SXEJLPSZJYZFAO-UHFFFAOYSA-N 232.235 2.865 0 50 BFAA CCOC(=O)C[C@@H](N)c1ccc(C)c(Cl)c1 2582549 QFHAMEVOSZISPN-LLVKDONJSA-N 241.718 2.601 0 50 BFAA Brc1ccccc1-c1ccn[nH]1 4293886 VDHTYVJAQNZWTD-UHFFFAOYSA-N 223.073 2.839 0 50 BFAA in-vitro Cc1ccc([C@H](C)NC(=O)c2cccnc2)cc1 4656425 WYKGFYKQTNUAHP-LBPRGKRZSA-N 240.306 2.881 0 50 BFAA O=C(O)c1ccc(CNCc2cccs2)cc1 4657610 IEUAXLUYYGHMLQ-UHFFFAOYSA-N 247.319 2.736 0 50 BFAA Cc1ccccc1C(=O)N[C@@H](C)c1ccncc1 6698910 XAJCLTMJHGCWNA-LBPRGKRZSA-N 240.306 2.881 0 50 BFAA Cc1cc(C)n(C(=O)Cc2ccccc2C)n1 6699660 SDAZOHMVOJCTSC-UHFFFAOYSA-N 228.295 2.691 0 50 BFAA CCOCCOc1cccc(Br)c1 34361461 FNSGRVBRWKODOK-UHFFFAOYSA-N 245.116 2.864 0 50 BFAA CC1(C)C(=O)Nc2cc(Br)ccc21 39151116 DBAOYNGOQUASPE-UHFFFAOYSA-N 240.100 2.679 0 50 BFAA Cc1cc(Br)cc(N)c1C 59702853 BVFKMKMJQJDOPR-UHFFFAOYSA-N 200.079 2.648 0 50 BFAA in-vitro Fc1cccc(Br)c1S 67796549 QVIXOBKDCYASRR-UHFFFAOYSA-N 207.067 2.877 0 50 BFAA in-vitro CC(C)CC(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 101896906 RTEATVNILBCDSE-VOAKCMCISA-N 223.360 2.973 0 50 BFAA CC[C@H](N[C@@H](C)c1nccn1C)c1ccncc1 183017752 MZEPRXJIEHYMPN-AAEUAGOBSA-N 244.342 2.617 0 50 BFAA CC[C@@H](NCc1nnc(C)o1)c1cccs1 184062504 XMZZYSRHXRPGOA-SECBINFHSA-N 237.328 2.680 0 50 BFAA Cc1ccc(O)cc1C(=O)OC(C)(C)C 205316944 BMEFRZLIWFNTMN-UHFFFAOYSA-N 208.257 2.656 0 50 BFAA CCOc1nc(C)c([C@H](C)O)c2ccccc12 252508032 XAVLKJIXINBWCZ-JTQLQIEISA-N 231.295 2.995 0 50 BFAA CC[C@@H]1CC[C@@H](NC[C@H]2CCCn3ccnc32)C1 299754091 FQWBUBDKNHTEOY-MGPQQGTHSA-N 247.386 2.929 0 50 BFAA Cc1nscc1NCc1cccnc1N(C)C 1615588920 USILXMSETBUTKH-UHFFFAOYSA-N 248.355 2.525 0 50 BFAA Nc1c(Br)ccc2c1CCC2 1857784114 YHFZTOXEPVEYKV-UHFFFAOYSA-N 212.090 2.520 0 50 BFAA COc1nc2ccccc2cc1-c1cnccn1 1875244906 AAKLDSNQNXUAIN-UHFFFAOYSA-N 237.262 2.700 0 50 BFAA Cc1ccc2c(c1)c1c3n2CCN[C@H]3CCC1 641 IWVRVEIKCBFZNF-ZDUSSCGKSA-N 226.323 2.930 0 50 BFAA biogenic,world CSc1ccc(Cl)c(C(=O)O)c1 156017 HJDZJDJRUVAYTR-UHFFFAOYSA-N 202.662 2.760 0 50 BFAA in-vitro CC(=O)CC(=O)Nc1cc(Cl)cc(Cl)c1 449387 GYNIUNAMMNVZCZ-UHFFFAOYSA-N 246.093 2.911 0 50 BFAA CC(=O)c1ccc(-c2ccc(C=O)o2)cc1 2565463 BVPMCORRAXYAAT-UHFFFAOYSA-N 214.220 2.962 0 50 BFAA in-vitro CCCCOC[C@@H](O)CSCCCC 2870993 HOPLYCXOTGEXLU-LLVKDONJSA-N 220.378 2.697 0 50 BFAA CCCCCCOC(=O)[C@H]1CN1C(C)(C)C 3194715 TZEBWZNLIOCPDF-YNODCEANSA-N 227.348 2.593 0 50 BFAA O=Cc1ccc(N2CCCC2)cc1Cl 4245488 FKJKRWNFRHQBJQ-UHFFFAOYSA-N 209.676 2.753 0 50 BFAA in-vitro COc1ccc([C@@H](CCN)C(C)C)cc1 5048170 STWWBPVSVFVMIZ-ZDUSSCGKSA-N 207.317 2.784 0 50 BFAA Cc1ccc2c(O)c(CN(C)C)c(C)nc2c1C 8663764 UCKNMNXYNRSWQX-UHFFFAOYSA-N 244.338 2.927 0 50 BFAA c1ccc(CNCCCc2ccncc2)cc1 8701084 SMWBDSDXSLDFJY-UHFFFAOYSA-N 226.323 2.804 0 50 BFAA Cc1ccc2c(Br)n[nH]c2c1 14983530 WQBAPWGVIHWNLY-UHFFFAOYSA-N 211.062 2.634 0 50 BFAA in-vitro Cc1ccc(CC(=O)NCc2ccco2)cc1C 16652322 MXUAYSNPPCKGHI-UHFFFAOYSA-N 243.306 2.755 0 50 BFAA O[C@@H](CNCc1ccccc1)c1ccccc1 20406034 XAOCLQUZOIZSHV-HNNXBMFYSA-N 227.307 2.510 0 50 BFAA in-vitro Nc1cccc2cc(C(F)(F)F)cnc12 97757551 QTSWTGJWSFXECQ-UHFFFAOYSA-N 212.174 2.836 0 50 BFAA CCOC(=O)c1ccc(C(F)F)s1 145982663 LSJDWKQLHLTGGD-UHFFFAOYSA-N 206.213 2.862 0 50 BFAA O=C(O)c1cc(Cl)cc(-n2cccc2)c1 166588670 STMPSFAEDOKLLJ-UHFFFAOYSA-N 221.643 2.829 0 50 BFAA CN1CCC(Nc2nccc3ccccc23)CC1 168648708 MGQAPRGTRVEXRC-UHFFFAOYSA-N 241.338 2.741 0 50 BFAA CC(C)(C)OC(=O)OCC(F)(F)F 169795773 MUMSGLXARSQTKA-UHFFFAOYSA-N 200.156 2.500 0 50 BFAA CC(C)CCn1ccc(C(F)(F)F)cc1=O 192568016 DLTNWONKNUABCT-UHFFFAOYSA-N 233.233 2.913 0 50 BFAA C=Cn1cc(CNc2ccc(Cl)cn2)cn1 194820823 CRNCGFUXBCVDPG-UHFFFAOYSA-N 234.690 2.644 0 50 BFAA CC(C)(C)c1cc(NC(=O)C2C[C@H]3C[C@@H]3C2)[nH]n1 228366033 NNDBFRFVCCWFEP-RKDXNWHRSA-N 247.342 2.692 0 50 BFAA CCCn1ncnc1-c1cccc(C(C)=O)c1 304430507 GFIVXPYCZRWTLP-UHFFFAOYSA-N 229.283 2.558 0 50 BFAA COC(=O)c1cc(-c2ccccc2)sc1N 90196 QKYRXLPXSJZIQM-UHFFFAOYSA-N 233.292 2.784 0 50 BFAA O=C(O)c1ccc2c(c1)C(=O)c1ccccc1-2 155050 BJCTXUUKONLPPK-UHFFFAOYSA-N 224.215 2.596 0 50 BFAA in-vitro COc1cccc2cccc(NC(C)=O)c12 345485 HXJRYFGCNVSBAY-UHFFFAOYSA-N 215.252 2.807 0 50 BFAA CC(=O)[C@@H](C(=O)Nc1ccc(C)cc1)C(C)C 432868 KAURRZCGULMSQK-ZDUSSCGKSA-N 233.311 2.795 0 50 BFAA Cc1cccc(Nc2ncccc2C(=O)O)c1 1329540 LAOBBPYZHNYIMM-UHFFFAOYSA-N 228.251 2.832 0 50 BFAA CCOC(=O)C(C)(C)Oc1ccccc1C 1460004 YUVHMMTUCXQBTB-UHFFFAOYSA-N 222.284 2.716 0 50 BFAA Nc1ccnc2c(Br)cccc12 2524458 IYDRVHGHAXAOGC-UHFFFAOYSA-N 223.073 2.580 0 50 BFAA in-vitro Cc1ccccc1OCCNC(=O)C1CCCC1 4727649 PBKIRKYMFIVIRX-UHFFFAOYSA-N 247.338 2.680 0 50 BFAA Nc1ncc(Cc2ccc(F)cc2F)s1 20284178 XXQAHJQHKJCMSF-UHFFFAOYSA-N 226.251 2.594 0 50 BFAA in-vitro COC(=O)c1cccc(Br)c1C 21994061 MKQQTCSBXHAYQL-UHFFFAOYSA-N 229.073 2.544 0 50 BFAA in-vitro Brc1cn(Cc2ccccc2)cn1 22001048 SEDUHBKZBAORFI-UHFFFAOYSA-N 237.100 2.694 0 50 BFAA in-vitro CCOc1cc(Br)ccc1C=O 36985301 RCLVJRISTAVSBL-UHFFFAOYSA-N 229.073 2.660 0 50 BFAA Clc1ccc(OC[C@@H]2CCNC2)cc1Cl 42772698 HACSXXKCNGCELO-MRVPVSSYSA-N 246.137 2.982 0 50 BFAA O=C(O)c1ncc(-c2ccccc2)s1 45206019 TZRNZBGFPPOHOB-UHFFFAOYSA-N 205.238 2.508 0 50 BFAA in-vitro Cc1nccc(-c2ccccc2)c1C(=O)O 54957053 FSMZYQNQFJDUJI-UHFFFAOYSA-N 213.236 2.755 0 50 BFAA in-vitro Cc1cc(C)nc(NCc2cc(C(C)C)on2)n1 65393683 YEONAKRJIIAHRP-UHFFFAOYSA-N 246.314 2.817 0 50 BFAA CC(C)n1cc(Br)cc1C(=O)O 68583435 CULTUKQABHCDGT-UHFFFAOYSA-N 232.077 2.530 0 50 BFAA in-vitro Cc1cc(C)n(CCCNc2ccc(F)cn2)n1 127151342 PBUWZZHJTVSRPN-UHFFFAOYSA-N 248.305 2.536 0 50 BFAA CCc1ncsc1NC(=O)[C@H]1CC1(C)C 152516865 JHSZONVDNATDDS-SSDOTTSWSA-N 224.329 2.690 0 50 BFAA CC(C)(C)OC(=O)N1[C@H]2C=CC[C@@]23CC=C[C@@H]13 252586507 QONDMLQEWGSYFB-UHIISALHSA-N 233.311 2.881 0 50 BFAA CC(C)(O)c1cnc(Cl)cc1Cl 307648455 GTKLTAYQGIKYTN-UHFFFAOYSA-N 206.072 2.616 0 50 BFAA CCCCOc1cc(F)ccc1-c1ncn(C)n1 426640588 XPFAMYQECNVWMN-UHFFFAOYSA-N 249.289 2.800 0 50 BFAA O=C1CN(CCCC2CC2)Cc2ccccc2N1 878846501 KMLOZOJWNLJLBS-UHFFFAOYSA-N 244.338 2.631 0 50 BFAA CCc1nn(C)c(NC(=O)CC2CCCC2)c1C 1506396989 PJPRBPXDKWIOEA-UHFFFAOYSA-N 249.358 2.810 0 50 BFAA S=C(c1ccc2c(c1)OCO2)N1CCCCC1 218300 GRKFQNCLGKIJKV-UHFFFAOYSA-N 249.335 2.577 0 50 BFAA biogenic Cc1ccc(NC(=O)c2cc(C)on2)cc1 392095 ZMJOYIIKIYPLTJ-UHFFFAOYSA-N 216.240 2.544 0 50 BFAA O=C(O)c1ccccc1COc1ccccc1 395117 YKNORODREYVARM-UHFFFAOYSA-N 228.247 2.964 0 50 BFAA O=Cc1c(F)cc(Br)c(F)c1F 2243328 LYPYTFIWASJIRU-UHFFFAOYSA-N 238.990 2.679 0 50 BFAA CCCCNCCCOc1ccccc1F 2903287 GSVVVXCTCMDESH-UHFFFAOYSA-N 225.307 2.984 0 50 BFAA Cc1ccc(C(C)(C)C)cc1CC(=O)O 3750717 PGUUWYUZTJPKDX-UHFFFAOYSA-N 206.285 2.920 0 50 BFAA in-vitro CCC(=O)N[C@H](C)c1ccc(Cl)cc1 4656415 YCGUYIHFXOEXAP-MRVPVSSYSA-N 211.692 2.927 0 50 BFAA O=C(NCc1ccccc1)c1cc(F)cc(F)c1 7608838 MBJBMIQSQJVPOB-UHFFFAOYSA-N 247.244 2.895 0 50 BFAA Cc1[nH]c2ccccc2c1SCC(=O)O 18152684 INQCWEIRWMEEHN-UHFFFAOYSA-N 221.281 2.653 0 50 BFAA O=C(Cc1ccc(O)cc1)c1ccc(O)cc1 39297153 HZPYKPXLYFNHFD-UHFFFAOYSA-N 228.247 2.523 0 50 BFAA in-vitro COc1ccc(Cc2nsc(Cl)n2)cc1 47218915 AGZZMAZKGHBNSX-UHFFFAOYSA-N 240.715 2.791 0 50 BFAA in-vitro Brc1ccc(OC2CCC2)cn1 72193033 HMBZGGINIPDMQO-UHFFFAOYSA-N 228.089 2.775 0 50 BFAA in-vitro c1ccc(C[C@H]2COc3ccccc3C2)nc1 91616963 MDXRNFYZFQXODI-LBPRGKRZSA-N 225.291 2.875 0 50 BFAA CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1CC(=O)C2 100002168 YEKYAQUJESJBFI-UWVGGRQHSA-N 239.315 2.508 0 50 BFAA in-vitro Nc1cc(-c2ccc(F)cc2Cl)ncn1 123293137 HUPCTXSOMBAZRE-UHFFFAOYSA-N 223.638 2.518 0 50 BFAA Cc1ccc(Cl)c(NCc2ccnn2C)c1 124067366 OEOWVJQFRVXWKL-UHFFFAOYSA-N 235.718 2.994 0 50 BFAA C[C@@H](O)C[C@@H](C)CNCc1sccc1Cl 193121119 VHSISFZTKYUBKI-RKDXNWHRSA-N 247.791 2.898 0 50 BFAA O=C(N1CC(C2CCC2)C1)C12CCC(CC1)C2 336333476 FJJDJFQVKUCIFX-UHFFFAOYSA-N 233.355 2.825 0 50 BFAA COc1ccc2c(c1)CCN([C@H]1CCSC1)C2 670473593 TYGAILMDLVYXJL-ZDUSSCGKSA-N 249.379 2.559 0 50 BFAA O=Cc1ccc(-c2ccc(F)c(F)c2F)cn1 725271928 KMXRQISZUYFLSH-UHFFFAOYSA-N 237.180 2.978 0 50 BFAA CC(=O)[C@@H](C)SCc1nc(C(C)C)ns1 863982326 CDRPOKIWGGJPNI-MRVPVSSYSA-N 244.385 2.872 0 50 BFAA O=C(Nc1cccnc1)c1ccccc1Cl 55056 RPTRLIIPLCIWJB-UHFFFAOYSA-N 232.670 2.987 0 50 BFAA C[C@@H]1CC[C@H](N2CCN(c3ccccc3)CC2)C1 212575 WLOHZXKWVPQOQY-ZBFHGGJFSA-N 244.382 2.997 0 50 BFAA Cc1cccc(NC(=O)c2ccco2)c1 281588 KPBVQSTXGSQMSM-UHFFFAOYSA-N 201.225 2.840 0 50 BFAA NC(=O)Nc1ccc(-c2ccccc2)cc1 466600 FAVOSJNIJZMFAB-UHFFFAOYSA-N 212.252 2.844 0 50 BFAA in-vitro Cc1cc(C(=O)Nc2ccc3c(c2)CCC3)no1 1052268 JLJSPHDPVYYNEM-UHFFFAOYSA-N 242.278 2.724 0 50 BFAA Cc1ccccc1O[C@@H](C)C(=O)NC1CCCC1 1067026 JQJQITAXSYCQJD-LBPRGKRZSA-N 247.338 2.821 0 50 BFAA O=C1c2ccccc2C[C@H]1CN1CCCCC1 3641936 SQIWVUIDKFUELN-ZDUSSCGKSA-N 229.323 2.528 0 50 BFAA Cc1cccc(-c2noc(C)c2C(=O)O)c1 4234476 KLTCERZNJJUIMB-UHFFFAOYSA-N 217.224 2.657 0 50 BFAA in-vitro C[C@H]1C[C@H]1C(=O)NCc1ccc(Cl)cc1 12916171 BEYWKICFLRGLEB-GZMMTYOYSA-N 223.703 2.612 0 50 BFAA CC(C)CNC(=O)CCc1ccccc1F 47220573 PEARLTPWKBPMAW-UHFFFAOYSA-N 223.291 2.531 0 50 BFAA c1cc(N2C[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2)ccn1 71764748 PIUGTIQMFCDXIQ-WVKUQDAKSA-N 214.312 2.564 0 50 BFAA Cc1cccc(OCCN2C(=O)CC[C@H]2C)c1C 95505041 QMLJYZDSIJZGJS-GFCCVEGCSA-N 247.338 2.693 0 50 BFAA CC(C)(C)[C@]12C=C[C@]1(C(C)(C)C)[C@@](C)(O)C2=O 104097432 PGVKVVAMESVVFG-ZNMIVQPWSA-N 236.355 2.955 0 50 BFAA CCSc1nc2ccccc2n1C[C@@H](C)O 138028801 KVNUKELJZNNMAT-SECBINFHSA-N 236.340 2.529 0 50 BFAA OCc1ccc(-c2ccc(Cl)cc2)cn1 142026894 FXFINJOIDVEKCL-UHFFFAOYSA-N 219.671 2.894 0 50 BFAA Cc1nc(C)n(Cc2cc(F)ccc2Cl)n1 225458445 ZDEJWEKSZWEHQD-UHFFFAOYSA-N 239.681 2.736 0 50 BFAA CCC(=O)[C@@H](C)C(=O)c1ccc(F)cc1 232824127 IADMDHCXIKXMPN-MRVPVSSYSA-N 208.232 2.624 0 50 BFAA CCCCOc1ccc2oc(O)nc2c1 408525229 QDUZVPGRHKGDMG-UHFFFAOYSA-N 207.229 2.712 0 50 BFAA COc1ccccc1CNCc1ccco1 226673 WKNQLAHUYDYUNM-UHFFFAOYSA-N 217.268 2.578 0 50 BFAA in-vitro C[C@H](NC(=O)C1CCC1)c1ccccc1 306861 AVDXXYLSJRRPFH-JTQLQIEISA-N 203.285 2.664 0 50 BFAA O=C(O)c1cc2cc(Br)ccc2[nH]1 402742 YAULOOYNCJDPPU-UHFFFAOYSA-N 240.056 2.629 0 50 BFAA in-vitro CSc1nc(Cl)cc(C(F)(F)F)n1 967467 GOORQLLDZBAQIW-UHFFFAOYSA-N 228.626 2.871 0 50 BFAA in-vitro O=C(c1ccc(F)cc1)[C@@H](O)c1ccc(F)cc1 6093173 VGZHWXAFILGMSR-ZDUSSCGKSA-N 248.228 2.881 0 50 BFAA O=C(O)Cc1c[nH]c2ccc(C(F)(F)F)cc12 11920385 JSNULZACNINBHS-UHFFFAOYSA-N 243.184 2.814 0 50 BFAA CCCCNC(=O)c1ccc(CC)s1 13329841 YJCKVXHYQFLDIB-UHFFFAOYSA-N 211.330 2.840 0 50 BFAA Fc1ccc2[nH]cc(C3CCNCC3)c2c1 13806180 VQFAITGIMWXQQK-UHFFFAOYSA-N 218.275 2.774 0 50 BFAA in-vitro Cc1cccc2c(C3=CCNCC3)c[nH]c12 19772461 QVHVZVRAGSJGIQ-UHFFFAOYSA-N 212.296 2.853 0 50 BFAA COC(=O)c1ccc(C(F)(F)F)c(Cl)n1 82046729 PODTYUCVUPUSNR-UHFFFAOYSA-N 239.580 2.540 0 50 BFAA Oc1cc(C(F)(F)F)ncc1Br 95616333 WYYQXVGBZRSUGC-UHFFFAOYSA-N 241.994 2.569 0 50 BFAA in-vitro COC(=O)c1cc2c(Cl)ccc(OC)c2[nH]1 145383931 FOHSLFGNSXJTOS-UHFFFAOYSA-N 239.658 2.617 0 50 BFAA CC[C@@H]1c2cccn2CCN1C(=O)C1CCC1 151435209 JKZFCULWQUBFNZ-GFCCVEGCSA-N 232.327 2.582 0 50 BFAA C[C@@H]1[C@H](c2ccccc2)CCN1CCCC(=O)O 175603915 UHKGQOAKWZRNDI-TZMCWYRMSA-N 247.338 2.729 0 50 BFAA CC[C@@H]1Nc2ccccc2[C@@H]2OCC[C@H]12 238278768 GUSGKWWFAZQHTF-MDZLAQPJSA-N 203.285 2.968 0 50 BFAA biogenic NC(=O)c1cc(F)ccc1OCc1ccccc1 307662496 WEDXAODDXHVSJN-UHFFFAOYSA-N 245.253 2.504 0 50 BFAA COc1ccc(-c2nc[nH]c(=N)c2C)cc1Cl 426486148 MQIDXWNZNWYVAZ-UHFFFAOYSA-N 249.701 2.527 0 50 BFAA CCc1oc(C2CCOCC2)c(C)c1C(=O)O 958527784 DNJRCPYPDUFTFG-UHFFFAOYSA-N 238.283 2.743 0 50 BFAA COc1ccc2oc(C(F)F)cc(=O)c2c1 63039 DNGHJXOJQWESRZ-UHFFFAOYSA-N 226.178 2.739 0 50 BFAA OCc1ccc(OCc2cccc(F)c2)cc1 461579 JTEAJDZCZAAZJA-UHFFFAOYSA-N 232.254 2.897 0 50 BFAA FC(F)c1cc(-c2ccccc2)nc2ncnn12 2800331 SPHHTGMVBSLPDE-UHFFFAOYSA-N 246.220 2.729 0 50 BFAA Nc1ccc(-c2cccc(F)c2F)cn1 21953274 QTKRDJPBLRYOQA-UHFFFAOYSA-N 206.195 2.609 0 50 BFAA in-vitro Cc1cc2nccc(N)c2cc1Br 36075589 DSLIUGWNXLNDDU-UHFFFAOYSA-N 237.100 2.888 0 50 BFAA in-vitro CC[C@H]1CCCCN1c1cc(C(=O)O)ccn1 37022846 VVQDHZVYZKKYIF-NSHDSACASA-N 234.299 2.549 0 50 BFAA in-vitro Cc1ccnc(-n2ccnc2-c2cccnc2)c1 65409702 SXJORDMCJZIXPW-UHFFFAOYSA-N 236.278 2.638 0 50 BFAA O[C@H](c1ccccc1)C(F)(F)Br 72265775 NIHSGGJHKRBRNH-SSDOTTSWSA-N 237.043 2.708 0 50 BFAA COC(=O)CCc1ccc(O)c(C(C)(C)C)c1 78846846 TVUZOWCUYWPFPN-UHFFFAOYSA-N 236.311 2.795 0 50 BFAA Fc1ccc(NCc2ccsc2)cn1 125153693 GNTHWBGLGFAOBP-UHFFFAOYSA-N 208.261 2.894 0 50 BFAA C[C@@H]1C[C@H](O)[C@H]2C=C(Cl)C=C[C@H]2S1 252427699 CDLMBTLYJNUUMV-SFKDOBOXSA-N 216.733 2.550 0 50 BFAA C[C@]1(c2nc(-c3ccon3)no2)CC=CCC1 333791823 DNJMPWMROFOURQ-LBPRGKRZSA-N 231.255 2.722 0 50 BFAA Cc1cc(C(=O)N[C@H]2CC[C@@H](F)C2)oc1C 334276014 NENLOPRTRVFFAW-ZJUUUORDSA-N 225.263 2.517 0 50 BFAA CC(C)CC(=O)N[C@@H]1CCCC(F)(F)C1 336428529 KIOJUWQKWCHNSD-SECBINFHSA-N 219.275 2.727 0 50 BFAA CC(C)CC(=O)N[C@H]1CCCC(F)(F)C1 336428530 KIOJUWQKWCHNSD-VIFPVBQESA-N 219.275 2.727 0 50 BFAA O=Cc1ccc(-c2noc(C3CCC3)n2)cc1F 725273459 DUFXRABUCKMWSS-UHFFFAOYSA-N 246.241 2.956 0 50 BFAA c1ccc(-c2nccn2C[C@@H]2CCOC2)cc1 1875241138 PAJGZKNBLFNRPV-LBPRGKRZSA-N 228.295 2.587 0 50 BFAA CC(=O)Nc1c(C(=O)C2CC2)oc2ccccc12 51445 LIAKCFBDSHURGT-UHFFFAOYSA-N 243.262 2.984 0 50 BFAA Cc1ccnc(NCn2cnc3ccccc32)c1 493903 OHLWQTYVMCFYLS-UHFFFAOYSA-N 238.294 2.809 0 50 BFAA COC(=O)c1ccc(-c2ccc(O)cc2)cc1 1405399 PHBQSOODLMGROT-UHFFFAOYSA-N 228.247 2.846 0 50 BFAA in-vitro Sc1nnc(-c2ccc3ccccc3n2)o1 2433090 SZMKYZQJVSWESI-UHFFFAOYSA-N 229.264 2.574 0 50 BFAA NCCOc1ccccc1Cc1ccccc1 2545824 NKYTYTLACSUEFK-UHFFFAOYSA-N 227.307 2.615 0 50 BFAA CN(C(=O)c1cccs1)c1ccc(O)cc1 2561789 LTCVSWVAJHCFCB-UHFFFAOYSA-N 233.292 2.730 0 50 BFAA Nc1cc(Cl)ccc1Br 2567820 NLEZSQHAFMZAGU-UHFFFAOYSA-N 206.470 2.685 0 50 BFAA in-vitro O=C1c2ccc(F)cc2C(=O)N1C1CCCCC1 4965025 XPTYJUNRMGFSGC-UHFFFAOYSA-N 247.269 2.754 0 50 BFAA O=C(O)c1cccc(Oc2ccc(O)cc2)c1 6092515 OSGCDVKVZWMYBG-UHFFFAOYSA-N 230.219 2.883 0 50 BFAA in-vitro Cc1ccc(NC[C@H]2CCCN2)cc1Cl 6658208 TUTKXCXQQGCPPC-LLVKDONJSA-N 224.735 2.812 0 50 BFAA in-vitro Cc1ccc(O[C@H](C)C(=O)NC(C)C)cc1C 8480991 ILBDUZJSKQURJL-GFCCVEGCSA-N 235.327 2.595 0 50 BFAA Cc1cccc(-c2nc3ccccc3c(=O)[nH]2)c1 9439648 HGMYBXXEFAWWSC-UHFFFAOYSA-N 236.274 2.899 0 50 BFAA CC[C@@H](C)NCc1nc(-c2cccs2)no1 16649527 QUHTYNLEEAAWMP-MRVPVSSYSA-N 237.328 2.686 0 50 BFAA CN1Cc2c(N)cccc2[C@H](c2ccccc2)C1 19796033 XXPANQJNYNUNES-AWEZNQCLSA-N 238.334 2.846 0 50 BFAA world CCc1nc2sc(C(C)=O)c(N)c2cc1C 36358480 XDLXCTRKEDGKGF-UHFFFAOYSA-N 234.324 2.952 0 50 BFAA O=Cc1ccc(Oc2ccc(Cl)nn2)cc1 49538556 TVXUZNFXRJTIJQ-UHFFFAOYSA-N 234.642 2.735 0 50 BFAA O=C(O)c1ccc(-c2ccc(O)cc2)cc1F 65340067 CCSOVFVODXNDGW-UHFFFAOYSA-N 232.210 2.897 0 50 BFAA Brc1cncc(-c2ccncc2)c1 72192772 ZKNBQZBRNLAVHS-UHFFFAOYSA-N 235.084 2.906 0 50 BFAA in-vitro CCC1=NC[C@H]2c3cccc(OC)c3O[C@@]12C 96027954 HLFISRJGUDVBPT-IINYFYTJSA-N 231.295 2.795 0 50 BFAA O=Cc1cc2c(F)cc(F)cc2nc1Cl 112927587 NHFLCHHJWIUYNO-UHFFFAOYSA-N 227.597 2.979 0 50 BFAA in-vitro Oc1ccc(Nc2nc(Cl)ncc2F)cc1 114330027 CYDSCLYUMWUVKT-UHFFFAOYSA-N 239.637 2.718 0 50 BFAA c1nc2cc(NCc3csnn3)ccc2s1 190856210 HOQIGXKNLSNJHB-UHFFFAOYSA-N 248.336 2.760 0 50 BFAA c1cc2c(c(-c3cnn(CC4CC4)c3)c1)OCC2 426720034 WJCDZUPTHQZPRV-UHFFFAOYSA-N 240.306 2.895 0 50 BFAA COc1ccc2c(Cl)ncnc2c1Cl 585164086 BGOVWXKELWUGHC-UHFFFAOYSA-N 229.066 2.945 0 50 BFAA CCCCN(C(=O)c1ccnn1C)C1CCCC1 952963011 DTDVLHGCQDUWGA-UHFFFAOYSA-N 249.358 2.605 0 50 BFAA COc1ccc(OC)c(-c2nncc(C)c2C)c1 2356163565 IWKVVDDFTCPRGA-UHFFFAOYSA-N 244.294 2.778 0 50 BFAA Cn1ccc(-c2ccc(Br)cc2)n1 96524 GZQYXOYGTVBFQA-UHFFFAOYSA-N 237.100 2.850 0 50 BFAA in-vitro Cc1nc2sc3c(c2c(=O)o1)CC[C@H](C)C3 127486 HXYORSNUCFAGLV-LURJTMIESA-N 235.308 2.683 0 50 BFAA CCOC(=O)c1ccc(NC(=O)[C@H](C)CC)cc1 373307 BELVVCQNRFNPHZ-SNVBAGLBSA-N 249.310 2.848 0 50 BFAA CCOC(=O)[C@](C)(CC)c1ccccc1 393304 XSCGESRBIGOGKZ-CYBMUJFWSA-N 206.285 2.917 0 50 BFAA CCOC(=O)CCC(=O)c1ccc(Cl)cc1 2243043 YKJFOAUMSHLSEB-UHFFFAOYSA-N 240.686 2.866 0 50 BFAA NNc1ccc(Cl)cc1C(F)(F)F 2568758 SIILNUCRHAEFQZ-UHFFFAOYSA-N 210.586 2.644 0 50 BFAA Fc1ccc(-n2ncc3c(=S)[nH]cnc32)cc1 12583006 CUQSGIOVKIRVCF-UHFFFAOYSA-N 246.270 2.617 0 50 BFAA O=C1Nc2ccccc2O[C@H]1c1ccccc1 19046332 OGXCANIFSVBLQV-ZDUSSCGKSA-N 225.247 2.759 0 50 BFAA CC(C)(C)OC(=O)Nc1cccc(N)c1 19415301 IEUIEMIRUXSXCL-UHFFFAOYSA-N 208.261 2.616 0 50 BFAA in-vitro Cc1ccc(CN[C@@H]2COc3ccccc3C2)o1 20777737 RSLQVIXGFNMVIT-ZDUSSCGKSA-N 243.306 2.681 0 50 BFAA C[C@H](O)c1ccc(NC(=O)c2ccccc2)cc1 35188728 KELRWTBDHHZZFX-NSHDSACASA-N 241.290 2.992 0 50 BFAA in-vitro CCC/C=C/c1ccc(C(=O)NCC)cn1 67872560 FNWWFGILPBUEQT-VOTSOKGWSA-N 218.300 2.645 0 50 BFAA CCc1ccc(Br)c(C(=O)O)c1 95628572 APZKAKQIWDKNNH-UHFFFAOYSA-N 229.073 2.710 0 50 BFAA c1cc(-c2cnn(CC3CC3)c2)c2cc[nH]c2n1 113122954 IUMPZECXORUGLN-UHFFFAOYSA-N 238.294 2.836 0 50 BFAA COc1cc(N)cc(NC(=O)OC(C)(C)C)c1 116812719 VZRCVFSHXLAVGO-UHFFFAOYSA-N 238.287 2.624 0 50 BFAA Cc1cc(Cl)ccc1CNC[C@H]1CCCO1 128711835 UUFGHAUEFKMLCC-CYBMUJFWSA-N 239.746 2.917 0 50 BFAA CO[C@H](C)c1nc(-c2cnoc2C)cs1 170618876 MAMNYEJDSHKXEV-SSDOTTSWSA-N 224.285 2.814 0 50 BFAA c1ccc(CCCCCN2CCOCC2)cc1 197328567 FGNOHYIBDATXBL-UHFFFAOYSA-N 233.355 2.732 0 50 BFAA Cc1ccc([C@H]2[C@@H](C)CCCN2CC(=O)O)cc1 237574497 VLSSEQJQTAEUKH-SWLSCSKDSA-N 247.338 2.853 0 50 BFAA CCCC(=O)Nc1cc(-c2ccsc2)nn1C 488268033 RHNINWUJZPBJJV-UHFFFAOYSA-N 249.339 2.887 0 50 BFAA C=CC(=O)Nc1cc(OC)ccc1OCCCC 1262555631 ARFIHZLFQWCVHC-UHFFFAOYSA-N 249.310 2.999 0 50 BFAA CCc1cc(-c2cncc3nc[nH]c23)ccc1O 2356149954 ZOOUTDOCWVPVTO-UHFFFAOYSA-N 239.278 2.893 0 50 BFAA C[C@H]1CCCC[C@H]1NC(=O)COc1ccccc1 388985 HRMBSUOPIATDGS-GXTWGEPZSA-N 247.338 2.760 0 50 BFAA CCc1ccc(C(=O)NCc2ccncc2)s1 1055764 KHSPUSLSNQPKFQ-UHFFFAOYSA-N 246.335 2.636 0 50 BFAA CCn1c(C)c(C(C)=O)c(SC)nc1=S 1181332 FWIAMCUCCUQYOD-UHFFFAOYSA-N 242.369 2.865 0 50 BFAA OCCN(c1ccccc1)c1ccccc1 1577344 CMQZETQFZHIYJG-UHFFFAOYSA-N 213.280 2.817 0 50 BFAA Cc1ccn2c(-c3csc(N)n3)c(C)nc2c1 4244112 ZRCXPWKXMLMHEI-UHFFFAOYSA-N 244.323 2.657 0 50 BFAA Clc1ccc(C[C@H]2CCCNC2)cc1 11630903 VEVHEHZAQHSNBX-LLVKDONJSA-N 209.720 2.882 0 50 BFAA in-vitro COc1ccccc1CN[C@H]1CC[C@H](C)C1 16662688 RYXPHCWWIJHIGE-AAEUAGOBSA-N 219.328 2.973 0 50 BFAA CCOC(=O)C(=O)c1cc(C)c(Cl)c(C)c1 43504371 VDZZWHRHJYQGAD-UHFFFAOYSA-N 240.686 2.703 0 50 BFAA NC(=S)Nc1cc(C(F)(F)F)ccc1F 62657339 CGRNTSKHFJMVLK-UHFFFAOYSA-N 238.209 2.500 0 50 BFAA COc1ccc(F)c(-c2nccs2)c1 65527180 XCPXMRGWCCZDSQ-UHFFFAOYSA-N 209.245 2.958 0 50 BFAA Nc1cc2cccc(Br)c2cn1 91692368 MELBFTIXTXTDDR-UHFFFAOYSA-N 223.073 2.580 0 50 BFAA in-vitro CN[C@H](C)[C@H](Oc1ccccn1)c1ccccc1 96026548 BIAKARZBLXBSEF-DOMZBBRYSA-N 242.322 2.810 0 50 BFAA NC1=CC=CN2C=CC=C[C@H]2c2ccccc21 114002430 ORLYMAFFKQODAU-HNNXBMFYSA-N 222.291 2.940 0 50 BFAA Cc1cc(Cl)ccc1CNC[C@@H]1CCCO1 128711637 UUFGHAUEFKMLCC-ZDUSSCGKSA-N 239.746 2.917 0 50 BFAA CCc1ncsc1C(=O)Nc1cccnc1C 178709549 UJXRWPUMFAWOJN-UHFFFAOYSA-N 247.323 2.661 0 50 BFAA O=C(Nc1cnc2c(c1)CCC2)NC1CCCC1 257181438 FOENMSZGPDPCJE-UHFFFAOYSA-N 245.326 2.634 0 50 BFAA C1=C(CN2CCC3(CCOCC3)C2)CCCC1 334649187 ZFMUZXPUVLHVKM-UHFFFAOYSA-N 235.371 2.989 0 50 BFAA C[C@@H](CC(F)F)C(=O)N1CCCCCC1 334802780 BPFFLMGNQYYNHM-VIFPVBQESA-N 219.275 2.680 0 50 BFAA Oc1ccnc2c(F)c(Br)ccc12 575554238 DHGUXOLSIZFBJX-UHFFFAOYSA-N 242.047 2.842 0 50 BFAA C=CC(=O)NC1(c2cccc(F)c2)CCC1 1338388925 GDNLAQATSFCEBH-UHFFFAOYSA-N 219.259 2.507 0 50 BFAA CCOC(=O)c1c(C)n(C)c2ccc(OC)cc12 50482 VWUZPMIHHYWEQB-UHFFFAOYSA-N 247.294 2.672 0 50 BFAA O=[N+]([O-])/C=C/c1c(F)cccc1Cl 56945 JCIAIKBVPVMTBD-SNAWJCMRSA-N 201.584 2.727 0 50 BFAA O[C@H]1CCSc2ccc(Cl)cc21 107924 KGOKMXKVFZSSOE-QMMMGPOBSA-N 200.690 2.869 0 50 BFAA COC(=O)c1ccccc1-c1ccc(C=O)o1 238071 BTPZHXDOZOEYNQ-UHFFFAOYSA-N 230.219 2.546 0 50 BFAA in-vitro Cc1ccc(NC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 396857 JFAZJXHKUTYROF-VXGBXAGGSA-N 248.326 2.636 0 50 BFAA CC(C)(C)NC(=O)COc1ccccc1Cl 486850 XHQFCXGUKOSJEM-UHFFFAOYSA-N 241.718 2.634 0 50 BFAA Cc1ccc(C)c(C(=O)NCC(C)C)c1 514729 REXKDJRXTDOROL-UHFFFAOYSA-N 205.301 2.689 0 50 BFAA O=C(CC1CCCCC1)Nc1cccnc1 780041 SIURWXONEBYXJD-UHFFFAOYSA-N 218.300 2.991 0 50 BFAA Brc1cccc(C2CCNCC2)c1 2512971 LWJZRMBBOWCPMO-UHFFFAOYSA-N 240.144 2.916 0 50 BFAA in-vitro COc1ccccc1SC1CCNCC1 2513160 GEQMUQWJGHOHIG-UHFFFAOYSA-N 223.341 2.539 0 50 BFAA in-vitro CC[C@H](CC[C@@H](C)O)C[C@@H]1CCCO1 4087620 WRDHXNUNGYABFV-UTUOFQBUSA-N 200.322 2.743 0 50 BFAA N[C@H](Cc1ccccc1)Cc1ccc(F)cc1 11600006 MBARARFHNYYNQD-OAHLLOKOSA-N 229.298 2.938 0 50 BFAA CCN1CCN(CC[C@@H](C)c2ccccc2)CC1 19634843 HSDUFMYTMWJGSD-OAHLLOKOSA-N 246.398 2.818 0 50 BFAA Cc1ccc(C(=O)c2ncco2)c(C)c1 43210578 CSPFCDAZISAQOC-UHFFFAOYSA-N 201.225 2.522 0 50 BFAA CCCNc1ccc(N)cc1Br 43596542 PBLWLYUIANLFNC-UHFFFAOYSA-N 229.121 2.853 0 50 BFAA CCC[C@@H](C)NC(=O)COc1cccc(C)c1C 49783157 CHJGQYHAUPDIST-GFCCVEGCSA-N 249.354 2.987 0 50 BFAA Cc1cc(C)n2nc3cccc(F)c3c2n1 57530744 LCLYDDYNAJGXAS-UHFFFAOYSA-N 215.231 2.638 0 50 BFAA CC(C)(C)OC(=O)Nc1ccc(O)cc1F 66055057 OFMBTCUVYCQPQI-UHFFFAOYSA-N 227.235 2.878 0 50 BFAA c1c[nH]c([C@@H]2CCCN(Cc3ccsc3)C2)n1 92073820 CMXZQHQWWITCTD-GFCCVEGCSA-N 247.367 2.851 0 50 BFAA COC(=O)C(F)(F)c1ccc(Cl)cc1 95774108 IVEJHYQFZLKTCM-UHFFFAOYSA-N 220.602 2.605 0 50 BFAA Cc1cc(Cl)c(N)cc1Br 147159412 XQEPFFYBEOBNTF-UHFFFAOYSA-N 220.497 2.993 0 50 BFAA O=C(Nc1ccsc1)c1ccncc1F 161432273 FTPZVDVDTIKILM-UHFFFAOYSA-N 222.244 2.535 0 50 BFAA Cc1c(C(=O)O)n(C)c2cccc(Cl)c12 170622789 ZJOGPCJERXGUEM-UHFFFAOYSA-N 223.659 2.838 0 50 BFAA C[C@H]1CCCN1C(=O)Nc1ccc(Cl)cn1 175885527 LMDQKPJKDKTMHV-QMMMGPOBSA-N 239.706 2.751 0 50 BFAA Cc1[nH]ccc1C(=O)N(C)[C@@H](C)c1ccncc1 175907394 KSYROJCONZYXQH-NSHDSACASA-N 243.310 2.551 0 50 BFAA COC[C@@H]1CCCN1Cc1cc2ccccc2[nH]1 215487610 DKUNFSPVARLMBS-AWEZNQCLSA-N 244.338 2.779 0 50 BFAA C[C@@H](Oc1ccnc(N)c1)c1ccccc1 227669104 KOFKZTLVUHHSDB-SNVBAGLBSA-N 214.268 2.804 0 50 BFAA N[C@H](c1ccncc1C(F)(F)F)C1CC1 238579178 VIIFJYRTYVHEHL-VIFPVBQESA-N 216.206 2.510 0 50 BFAA C[C@@H]1CC[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2C1 239338675 KXMYNLHMKBLLLU-WXHSDQCUSA-N 243.306 2.612 0 50 BFAA FC1(F)CCC(N[C@H]2CCSC2)CC1 307462046 GCPJBGMSKDZDCO-VIFPVBQESA-N 221.316 2.659 0 50 BFAA CC[C@@]1(O)CCC[C@@H]2CN(Cc3ccoc3)C[C@@H]21 1704359586 UGZFIFALYNFHIF-QLFBSQMISA-N 249.354 2.653 0 50 BFAA CN(C(=O)c1ccco1)c1ccccc1 102767 JTRXYDXSZLRHBM-UHFFFAOYSA-N 201.225 2.556 0 50 BFAA O=C(Cc1cccs1)NCCc1ccccc1 758810 IMDYORYAFZEJDG-UHFFFAOYSA-N 245.347 2.650 0 50 BFAA Oc1cccc(CNc2ccc3[nH]ncc3c2)c1 5589049 HPSRAFLOZPHEJR-UHFFFAOYSA-N 239.278 2.881 0 50 BFAA CCOC(=O)c1cc2ccc(OC)cc2nc1C 8253055 YKAUGLDGHONGMM-UHFFFAOYSA-N 245.278 2.729 0 50 BFAA CNC/C=C/COc1ccccc1C(C)C 12383125 WJEXDMFUFQNQJJ-VOTSOKGWSA-N 219.328 2.964 0 50 BFAA CCc1noc(C)c1C(=O)Nc1ccccc1 13326272 GTWCZJJXQIGFQK-UHFFFAOYSA-N 230.267 2.798 0 50 BFAA O[C@@H](CNCc1ccccc1F)c1ccccc1 19871972 FBMPFYHLTUGIMG-HNNXBMFYSA-N 245.297 2.649 0 50 BFAA O=S(=O)(C1=CCCC1)c1ccccc1 32152112 ARNVQXOIPFIQMR-UHFFFAOYSA-N 208.282 2.528 0 50 BFAA Cc1ccnc(NC(=O)Nc2cc(C)ccn2)c1 32916896 PWWGYNUFWIWEIZ-UHFFFAOYSA-N 242.282 2.737 0 50 BFAA OCc1ccccc1-c1ccccc1O 65339928 FGCSCCNLDZVFBI-UHFFFAOYSA-N 200.237 2.552 0 50 BFAA CCCc1cc(CN(C)Cc2ccoc2)n[nH]1 65408172 VLWWBVPNFGRTIU-UHFFFAOYSA-N 233.315 2.587 0 50 BFAA Cc1ccc(-c2c[nH]nc2[C@@H]2CCCNC2)cc1 67726082 QQDXJWLSDQLANX-CYBMUJFWSA-N 241.338 2.852 0 50 BFAA O=C(O)c1ccc2sc(Cl)nc2c1 95642775 USIYKVRPNWXYIR-UHFFFAOYSA-N 213.645 2.648 0 50 BFAA Cc1cc(F)cc(C(=O)O)c1Br 114708184 XPSSOXATQWMSLY-UHFFFAOYSA-N 233.036 2.595 0 50 BFAA Cc1nc2ccccc2n1[C@H]1C[C@@H]2CC[C@H](C1)N2 167571884 BJGOIXDGNKKASK-CLLJXQQHSA-N 241.338 2.800 0 50 BFAA Cn1cncc1CN1CCC[C@@H]1c1cccs1 177232437 KRCIBLQTZUQWCB-GFCCVEGCSA-N 247.367 2.819 0 50 BFAA O[C@H]1CSc2cc(Br)ccc21 202436126 DUZACWFEWFFTRM-ZETCQYMHSA-N 231.114 2.588 0 50 BFAA CC1=CCC[C@H](C)[C@H]1CN[C@H](C)CCCO 248424508 IIYKRXGZKIPFKQ-MJBXVCDLSA-N 225.376 2.729 0 50 BFAA O=C([C@H]1C[C@@H]1C1CC1)N1CC2(CCCCC2)C1 335941721 KVJXCMCRYJPCCR-OLZOCXBDSA-N 233.355 2.825 0 50 BFAA CCOc1ncccc1-c1c(C)nn(CC)c1C 426395407 PZABYVAHMZJCLJ-UHFFFAOYSA-N 245.326 2.981 0 50 BFAA Cc1cc2c[nH]nc2cc1[C@H]1CCN[C@@H](C)C1 757216394 ZUNLHOGMBHEDPC-QWRGUYRKSA-N 229.327 2.727 0 50 BFAA CCC(CC)CN(C=O)Cc1cncc(C)c1 1875324989 FRECKKQNEOFUHI-UHFFFAOYSA-N 234.343 2.785 0 50 BFAA NC(=O)[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21 93985 FUZYTVDVLBBXDL-VIFPVBQESA-N 248.713 2.727 0 50 BFAA investigational CN1c2ccccc2N(C)C1c1cccnc1 289265 DGJIRYNNEJVSCJ-UHFFFAOYSA-N 225.295 2.666 0 50 BFAA c1ccc(CC[C@@H]2CCCCC23OCCO3)nc1 399771 HUHZMHBFEVJWJJ-ZDUSSCGKSA-N 247.338 2.948 0 50 BFAA Cc1ccc(NC=C2C(=O)CCCC2=O)cc1 447213 GVCAOZUNIZFLIH-UHFFFAOYSA-N 229.279 2.613 0 50 BFAA COc1ccc(C(=O)c2cccc(OC)c2)cc1 2574624 XSUJSUIVBJPHFR-UHFFFAOYSA-N 242.274 2.935 0 50 BFAA Cc1cccc(CNC(=O)c2cccs2)c1 6924233 BVJYMXIJRULCMV-UHFFFAOYSA-N 231.320 2.987 0 50 BFAA O=C1CCCOc2cc(Br)ccc21 12505429 LXKQMHNFHKVGAZ-UHFFFAOYSA-N 241.084 2.804 0 50 BFAA in-vitro O=C1CSC(Nc2cccc3ccccc23)=N1 12866807 PEVNNTKNJXSGGZ-UHFFFAOYSA-N 242.303 2.881 0 50 BFAA Cc1ccc(C(=O)Nc2ccc(O)cc2)o1 16475082 UQMNRQHIORVLKD-UHFFFAOYSA-N 217.224 2.546 0 50 BFAA in-vitro Cc1ccc(NC(=O)Nc2ccc(C)cn2)nc1 32916898 UVINHCNJBKPUSO-UHFFFAOYSA-N 242.282 2.737 0 50 BFAA COc1cc(Br)cc(C)c1C=O 38540923 LFIDATSGWQLARP-UHFFFAOYSA-N 229.073 2.579 0 50 BFAA COc1c(C)cc(-c2cccc(N)n2)cc1C 65489496 QEIAAPPKQGNMDN-UHFFFAOYSA-N 228.295 2.956 0 50 BFAA FC(F)(F)Cn1ccnc1-c1ccncc1 71749271 ZHWMSUANZPGOHE-UHFFFAOYSA-N 227.189 2.507 0 50 BFAA O[C@@H](c1ccccc1)C(F)(F)Br 72265774 NIHSGGJHKRBRNH-ZETCQYMHSA-N 237.043 2.708 0 50 BFAA O=Cc1ccc2c(Br)c[nH]c2c1 84326621 JUBYDSVZRYKBTH-UHFFFAOYSA-N 224.057 2.743 0 50 BFAA in-vitro CC(=O)c1ncc(Br)cc1Cl 97758803 WOJJYMNRQWXZJI-UHFFFAOYSA-N 234.480 2.700 0 50 BFAA in-vitro Cc1ccc(O)c(C(=O)CC(=O)c2ccco2)c1 100142892 AMIGZFMVJSRNEU-UHFFFAOYSA-N 244.246 2.749 0 50 BFAA O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(F)cc1 101755269 XDAXZWOFMILOJN-XHVZSJERSA-N 233.286 2.744 0 50 BFAA FC(F)(F)c1ccc(N2CCSC2)nc1 169725720 VJMWGWSBMYEMQU-UHFFFAOYSA-N 234.246 2.611 0 50 BFAA C[C@H]1OCC[C@H]1Nc1cccc2ccn(C)c12 188778775 DNJJKGRELOJJTQ-ZYHUDNBSSA-N 230.311 2.768 0 50 BFAA CC(=O)NC1(Cc2ccc(Cl)cc2)CCC1 293802955 PKGJUXYKJLRIOV-UHFFFAOYSA-N 237.730 2.941 0 50 BFAA CC1(C)OCC[C@@H]1Nc1ncnc2sccc12 296396224 VJTCCNXTARYOCB-VIFPVBQESA-N 249.339 2.671 0 50 BFAA CC[C@H]1CNCc2ccc(Cl)cc2O1 299789425 WLQFFOZDFLJKNF-JTQLQIEISA-N 211.692 2.601 0 50 BFAA COc1cc(C)cc(OC)c1-c1nccnc1C 426477148 CBJBQVQRLACREX-UHFFFAOYSA-N 244.294 2.778 0 50 BFAA COCCc1n[nH]c(CCC2CCCCC2)n1 670448656 AMPIIELOUZWAPL-UHFFFAOYSA-N 237.347 2.507 0 50 BFAA CCCn1nc(C)nc1-c1ccc(N(C)C)cc1 670456421 SLRQNYCGPDTEDT-UHFFFAOYSA-N 244.342 2.730 0 50 BFAA Cc1ccc2n[nH]cc2c1[C@H]1CC[C@@H](C)NC1 757209835 GNLDXNOCGPIQQV-MNOVXSKESA-N 229.327 2.727 0 50 BFAA CCCc1cnc(C)nc1NC[C@H]1CCCOC1 1529105409 ATDZWBZPGJRJBM-GFCCVEGCSA-N 249.358 2.576 0 50 BFAA Cc1cc(C)nc(Nc2ccc(O)cc2)n1 180420 NUWWAHKTVOVTNC-UHFFFAOYSA-N 215.256 2.543 0 50 BFAA in-vitro O=C(O)c1ccc(NC(=O)c2cccs2)cc1 190734 MFWXTLPJAFKOSC-UHFFFAOYSA-N 247.275 2.699 0 50 BFAA in-vitro CCC(=O)NC(=S)Nc1ccccc1Cl 341972 DRDGCOZQTQKHDY-UHFFFAOYSA-N 242.731 2.563 0 50 BFAA Cc1cccc(CNCc2cccnc2)c1 378551 MSSMWYIHERFESM-UHFFFAOYSA-N 212.296 2.680 0 50 BFAA C[C@@H](CCc1ccccc1)NC1CCC(O)CC1 757549 AVWGNBULMRQBMO-JEYLPNPQSA-N 247.382 2.901 0 50 BFAA CCOc1ccc(CC2CCNCC2)cc1 2545006 OTAIYQSYOVJZHO-UHFFFAOYSA-N 219.328 2.627 0 50 BFAA O=C(O)CCC(=O)c1ccc(F)c(Cl)c1 4242541 HEGKPWCFQKZTBW-UHFFFAOYSA-N 230.622 2.527 0 50 BFAA in-vitro C[C@H](CC(=O)O)C(=O)c1ccc(Cl)cc1 5051389 SSAOBKRLGFAMTI-SSDOTTSWSA-N 226.659 2.634 0 50 BFAA in-vitro COc1cccc2c(Cl)c3c(cnn3C)nc12 5510477 UVKIBJUETWQCMK-UHFFFAOYSA-N 247.685 2.784 0 50 BFAA CCCc1cc(=O)oc2cc(C)cc(O)c12 6493366 WMSVQPRIONJUIS-UHFFFAOYSA-N 218.252 2.760 0 50 BFAA in-vitro Nc1cccc(C(=O)O)c1Nc1ccccc1 6733695 BIBXBQMYVSAURA-UHFFFAOYSA-N 228.251 2.711 0 50 BFAA in-vitro CC(C)CCn1c(CCO)nc2ccccc21 8786050 XHJVAJONWNHKAM-UHFFFAOYSA-N 232.327 2.617 0 50 BFAA CC(C)Oc1ccccc1O[C@@H]1CCCNC1 12359730 QCCYVFAQQRSICD-GFCCVEGCSA-N 235.327 2.605 0 50 BFAA CCCNC(=O)c1cccc(NC(=O)CCC)c1 12404284 HLYPYMLMYSPLFQ-UHFFFAOYSA-N 248.326 2.565 0 50 BFAA CCOC(=O)c1csc(CC(C)C)n1 35923769 DIJHMSPHFZFWJS-UHFFFAOYSA-N 213.302 2.518 0 50 BFAA in-vitro FC(F)(F)c1ccccc1CCn1cnnc1 65382945 SEPNKDDOXVMLNA-UHFFFAOYSA-N 241.216 2.540 0 50 BFAA C[C@@H]1C[C@@H](O)CCN1[C@H](C)c1ccccc1 149121219 QFOPLOIFPTWFGH-BZPMIXESSA-N 219.328 2.593 0 50 BFAA Cc1cscc1-c1cccc(C(=O)N(C)C)n1 215552735 JRCJNCXHMGYSGF-UHFFFAOYSA-N 246.335 2.820 0 50 BFAA c1cc2c(nc1-c1noc(C3CC3)n1)CCCC2 329744741 XYOFAQWTTSAEHL-UHFFFAOYSA-N 241.294 2.888 0 50 BFAA CCn1nccc1-c1nnc(C)c2ccccc12 534639491 NFQYQHCSRLDZCK-UHFFFAOYSA-N 238.294 2.822 0 50 BFAA CC1(N(C(=O)[C@H]2CCCO2)c2ccccc2)CC1 585125641 ZYTLGEKWQCVPBT-CYBMUJFWSA-N 245.322 2.751 0 50 BFAA Oc1cccc(-c2ccc3c(c2)CC[C@@H](O)C3)c1 904765245 BQMVJFWKGHDUJU-MRXNPFEDSA-N 240.302 2.909 0 50 BFAA CNC(=O)CSC[C@H]1CCC=CCCC1 1775985343 WBXWOUJERZENAV-NSHDSACASA-N 227.373 2.602 0 50 BFAA O=c1oc(-c2cccc(F)c2)nc2ccccc12 79229 JMWKOCNOMNRNEE-UHFFFAOYSA-N 241.221 2.994 0 50 BFAA O=C(O)c1ccc(N2CCCC2)cc1Cl 168126 QMZLYZCZDQIOIL-UHFFFAOYSA-N 225.675 2.638 0 50 BFAA in-vitro Cc1ccccc1CC(=O)c1ccc(O)cc1O 315226 OPBRIMFSNKPBBC-UHFFFAOYSA-N 242.274 2.832 0 50 BFAA OCc1ccc(OCc2ccccc2F)cc1 473773 GEPCVUQQSDLTEN-UHFFFAOYSA-N 232.254 2.897 0 50 BFAA CC(C)C(=O)Nc1nnc(-c2ccccc2)s1 795772 PXCLNKBNRLHPQH-UHFFFAOYSA-N 247.323 2.800 0 50 BFAA Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCO2)cc1C 1054528 CAXVXLIMLXPGLH-TZMCWYRMSA-N 247.338 2.660 0 50 BFAA CC(=O)c1c(F)c(F)c(F)c(F)c1F 1845858 FBGHCYZBCMDEOX-UHFFFAOYSA-N 210.101 2.585 0 50 BFAA in-vitro CC(C)c1cc(N)n(-c2ccccc2)n1 2548136 RZIRPJOVBWGTDI-UHFFFAOYSA-N 201.273 2.578 0 50 BFAA in-vitro Nc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1 3604862 BSJGXTNBRNVOQK-UHFFFAOYSA-N 247.685 2.570 0 50 BFAA CCOC(=O)c1oc2cc(N)ccc2c1C 4323214 JFVDDWYFMNQCEP-UHFFFAOYSA-N 219.240 2.500 0 50 BFAA biogenic C[C@@H](NCc1cccn1C)c1ccccc1 4657546 HSYAGQYFRVLLSB-GFCCVEGCSA-N 214.312 2.876 0 50 BFAA Cc1cc(COc2ccccc2)oc1C(=O)O 4725205 AJUGKZCPMRYOAV-UHFFFAOYSA-N 232.235 2.865 0 50 BFAA CNCc1cc(Cl)cc(OC)c1OC(C)C 5065192 LUMXGICJTFNECJ-UHFFFAOYSA-N 243.734 2.855 0 50 BFAA Cc1noc(C)c1C(=O)N1CCCCCCC1 6731588 QDSGQKZBWCHZPV-UHFFFAOYSA-N 236.315 2.698 0 50 BFAA C[C@H](NC(=O)Nc1ccccc1)c1ccccn1 9218687 BVBLXMIDAMCQJA-NSHDSACASA-N 241.294 2.964 0 50 BFAA COc1ccc(N)cc1NC(=O)c1ccccc1 9264611 CQVOSDLLPUGRAS-UHFFFAOYSA-N 242.278 2.530 0 50 BFAA in-vitro C[C@@H](NC(=O)Nc1ccccc1)c1cccnc1 10262233 IILJYEZVSQDMNU-LLVKDONJSA-N 241.294 2.964 0 50 BFAA O=Cc1cccnc1OC1CCCCC1 12359589 WIOHBXICNUXKTL-UHFFFAOYSA-N 205.257 2.606 0 50 BFAA in-vitro CC(C)(C)OC(=O)NC[C@H]1CNc2ccccc21 20281967 ZYDGETNTBBDROM-SNVBAGLBSA-N 248.326 2.720 0 50 BFAA in-vitro CSc1ccc(Br)nc1 21953220 IFMCOWPTUPYFCT-UHFFFAOYSA-N 204.092 2.566 0 50 BFAA in-vitro O=C(O)C1(c2ccccc2Br)CC1 33487194 BJFFZQJYJMQPHY-UHFFFAOYSA-N 241.084 2.565 0 50 BFAA in-vitro O=C(O)CCn1ccc2c(Cl)cccc21 40162954 JXKDUTBKUKUDPG-UHFFFAOYSA-N 223.659 2.769 0 50 BFAA CC(C)(C)OC(=O)N1C[C@H]2CC=CC[C@H]2C1 64038039 BQRMVHVRBBRSOH-PHIMTYICSA-N 223.316 2.820 0 50 BFAA in-vitro CC(C)(C)OC(=O)Nc1cccc(F)c1N 77032277 NTMLBUWXZRGJAG-UHFFFAOYSA-N 226.251 2.755 0 50 BFAA in-vitro CCCOc1c(Cl)cccc1NC(=O)NC 96164626 GWMVRORFOKBIBD-UHFFFAOYSA-N 242.706 2.880 0 50 BFAA Clc1ccc([C@@]23CNC[C@H]2C3)cc1Cl 100050293 BSMNRYCSBFHEMQ-LDYMZIIASA-N 228.122 2.854 0 50 BFAA investigational O=Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1 128899579 VNUOVMAXQXJRSC-UHFFFAOYSA-N 240.184 2.704 0 50 BFAA in-vitro CSc1ccc(C=O)c(Br)c1 164437187 WNCYJCBJDXPRIK-UHFFFAOYSA-N 231.114 2.984 0 50 BFAA Cc1cccc(NCCCc2ccccn2)n1 184577188 OHRKDWZKCRZGGZ-UHFFFAOYSA-N 227.311 2.830 0 50 BFAA CCN(CCN)Cc1cc(Cl)cc(Cl)c1 231818715 MJMYYBUOOGNLEA-UHFFFAOYSA-N 247.169 2.774 0 50 BFAA C[C@@H]1C[C@H]1C(=O)N(C)[C@H]1CCc2ccccc21 249233130 KNCUBBURLBIXPJ-HONMWMINSA-N 229.323 2.788 0 50 BFAA COc1ccc(O)c(F)c1OCC(C)C 261494254 SUMQOTNYJDFNMO-UHFFFAOYSA-N 214.236 2.575 0 50 BFAA COC(C)(C)c1noc([C@H]2C[C@H]3CC[C@H]2C3)n1 349784233 SNDFFSQRKBXOAZ-GUBZILKMSA-N 236.315 2.855 0 50 BFAA Cc1ccc(NC(=O)N2CC[C@H]3CCC[C@@H]32)cn1 681774447 XNNZVQDUISXFIH-YPMHNXCESA-N 245.326 2.796 0 50 BFAA C[C@@H](CO)SCc1nc(C(C)(C)C)co1 724407810 KMUFMMJGRJDCEF-QMMMGPOBSA-N 229.345 2.586 0 50 BFAA Cc1sccc1CC(=O)N[C@H](C)C1(C)CC1 1120726570 DGHSUEVUBNPTHC-SNVBAGLBSA-N 237.368 2.904 0 50 BFAA O=C(Cc1ccccc1)c1ccc(O)cc1 134606 JBQTZLNCDIFCCO-UHFFFAOYSA-N 212.248 2.818 0 50 BFAA in-vitro Cc1ccc(C(=O)Nc2ccc3c(c2)OCO3)o1 371743 XFEPFYBCGILMAN-UHFFFAOYSA-N 245.234 2.569 0 50 BFAA Cc1ccc(-c2nnc3n2CCCCC3)cc1 396014 MDGGRHZKMXXZRD-UHFFFAOYSA-N 227.311 2.980 0 50 BFAA CCn1c(S)nnc1-c1ccc(Cl)cc1 521773 CPAZNRFBIAFEIA-UHFFFAOYSA-N 239.731 2.907 0 50 BFAA CCCNCc1ccc(OCCC)c(OC)c1 2640175 XZFLOBLFEYFMCN-UHFFFAOYSA-N 237.343 2.984 0 50 BFAA Cc1cc(Cl)ccc1OCCCN(C)C 2822349 HFDGSUREHDOYAF-UHFFFAOYSA-N 227.735 2.979 0 50 BFAA O=Cc1ccc(-c2cccc(C(=O)O)c2)s1 4312916 VIKAAKFSYUCLTJ-UHFFFAOYSA-N 232.260 2.926 0 50 BFAA Cc1cc(=O)[nH]c2ccc(Br)cc12 4632197 NOQMJGOVUYZKIA-UHFFFAOYSA-N 238.084 2.599 0 50 BFAA in-vitro Cc1ccc(NC(=O)NC[C@H]2CCCO2)c(C)c1 6727108 UNHDRQSWFCWUIY-GFCCVEGCSA-N 248.326 2.604 0 50 BFAA Cc1cccc(CC(=O)Nc2nccs2)c1 6729342 GILNZSBQKMZFIX-UHFFFAOYSA-N 232.308 2.633 0 50 BFAA CCC[C@H](C)C(=O)N1C[C@H](C)C[C@@H](C)C1 15856417 SXNGFYCOKWTRKW-UTUOFQBUSA-N 211.349 2.927 0 50 BFAA CCNC(=O)[C@@H](C)Oc1ccccc1C(C)C 20493552 NQTJPAFYIVBPBI-LLVKDONJSA-N 235.327 2.713 0 50 BFAA CCCCCn1ncc(Cl)c(Cl)c1=O 23115077 PFCOMZCAPYUMDG-UHFFFAOYSA-N 235.114 2.740 0 50 BFAA CCOC(=O)N(C)CC/C=C/c1cccnc1 34417184 ZDHQNQBQAXQSEW-QPJJXVBHSA-N 234.299 2.573 0 50 BFAA CC(C)n1c(CCCO)nc2ccccc21 38141328 ZABSZGJFACXKLA-UHFFFAOYSA-N 218.300 2.542 0 50 BFAA in-vitro C[C@H](SC(=S)c1ccccc1)C(=O)O 40848125 HPSQKMAZWIIJBT-ZETCQYMHSA-N 226.322 2.568 0 50 BFAA O=C(O)c1cc(-c2cccs2)ccn1 65347020 IMPKXJXBCMTGJU-UHFFFAOYSA-N 205.238 2.508 0 50 BFAA Cc1ccc(CN2CCC[C@H](c3ncc[nH]3)C2)o1 92071973 ICZBVAWBUJHOSI-LBPRGKRZSA-N 245.326 2.691 0 50 BFAA C[C@]12C[C@@H]3C[C@](C)(C1)C[C@@](OCCN)(C3)C2 100250812 WQXMVAGRSICDSC-YXSUXZIUSA-N 223.360 2.711 0 50 BFAA COc1ccc(-c2ccnc(Cl)n2)cc1C#N 116813787 UHUUOIKCICTSGY-UHFFFAOYSA-N 245.669 2.677 0 50 BFAA CCc1cccn2c(Br)cnc12 238316827 BZVQQBLRSDMTNX-UHFFFAOYSA-N 225.089 2.659 0 50 BFAA C[C@@H](NC(=O)c1cccnc1)[C@@H]1C[C@H]2CC[C@H]1C2 243497483 NTMANIMIVFSVIN-UHXUPSOCSA-N 244.338 2.636 0 50 BFAA Cc1[nH]ccc1C(=O)N1C[C@H]2CCC[C@@H](C2)C1 335443887 IZGUMPMMHVRCRJ-RYUDHWBXSA-N 232.327 2.585 0 50 BFAA NC(=O)c1ccc(/C=C/C2CCCCC2)nc1 426382592 CQTDLPUOKYZADS-SOFGYWHQSA-N 230.311 2.774 0 50 BFAA Cc1nc(CN(C)C[C@H]2CC2(C)C)n(C)c1C 584901207 PKINSFRUFJPSPT-GFCCVEGCSA-N 235.375 2.515 0 50 BFAA C=CC(=O)N1CCc2c(C3CC3)cccc21 888098518 KEMZADHMOZYQLN-UHFFFAOYSA-N 213.280 2.639 0 50 BFAA CN(CC(C)(C)CO)c1ccc2ccccc2n1 1506396427 IPNJWJQHVPQTQA-UHFFFAOYSA-N 244.338 2.690 0 50 BFAA C=CC(=O)Nc1cnn(-c2ccccc2)c1CC 1776000134 AWVXFWYINCKUOS-UHFFFAOYSA-N 241.294 2.559 0 50 BFAA O=C(c1ccc(F)cc1)N1CCCCCC1 29765 NVQGWWBCCMYSRW-UHFFFAOYSA-N 221.275 2.842 0 50 BFAA Cc1ccc(C(=O)SC2=NCCS2)cc1 180672 YUHPMCGZMGYTOH-UHFFFAOYSA-N 237.349 2.971 0 50 BFAA O=C1NC2(CCCCC2)Cc2ccccc21 251366 BOINCCWBKQGBJT-UHFFFAOYSA-N 215.296 2.675 0 50 BFAA Cc1ccc(CN2CCSCC2)c(C)c1 292170 VEAONGCKKWHLCF-UHFFFAOYSA-N 221.369 2.852 0 50 BFAA O=Cc1ccc2cccc(Br)c2n1 1526653 AFDUIUOATSXDFH-UHFFFAOYSA-N 236.068 2.810 0 50 BFAA CCOC(=O)c1ccc(Br)c(C)c1 2568098 GIGDAWLJINYIFV-UHFFFAOYSA-N 243.100 2.934 0 50 BFAA in-vitro Fc1ccc2[nH]c(C(F)(F)F)nc2c1F 4329311 CSQLDLCQJGOFEY-UHFFFAOYSA-N 222.116 2.860 0 50 BFAA CC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 4529975 HDEIBESKFFIEPU-WSWXSABCSA-N 221.344 2.727 0 50 BFAA O=C(O)Cc1c[nH]c2cc(C(F)(F)F)ccc12 11920398 JTZRMQQGGJXZOE-UHFFFAOYSA-N 243.184 2.814 0 50 BFAA CC(C)(C)c1nnc(-c2cccc(N)c2)o1 21004456 KZVYJIALRIHGLZ-UHFFFAOYSA-N 217.272 2.616 0 50 BFAA CS[C@H](C)CCN(C)Cc1ncccc1C 67787794 JJMIRTOJFCLVIN-GFCCVEGCSA-N 238.400 2.963 0 50 BFAA COC(=O)c1c(F)cc(Cl)cc1Cl 91692998 NYSVGJCOIGNBSV-UHFFFAOYSA-N 223.030 2.919 0 50 BFAA in-vitro O=C(O)Cc1ccccc1Oc1ccncc1 157391880 PYPLWOSICDSXIT-UHFFFAOYSA-N 229.235 2.501 0 50 BFAA Cc1cccc(NC[C@H](CO)c2ccccc2)n1 184575886 OGXRFLUTFYYUNT-CQSZACIVSA-N 242.322 2.578 0 50 BFAA Clc1ccc2[nH]cnc2c1Br 238534188 PQDFVUZVPCDZFJ-UHFFFAOYSA-N 231.480 2.979 0 50 BFAA O=C(O)c1cccc(C2CC(F)(F)C2)c1 258151006 SAYOFQQNOWQELP-UHFFFAOYSA-N 212.195 2.898 0 50 BFAA CC(C)C1CCN(c2ncnc3[nH]ccc23)CC1 266196470 CLZPZCYSVJKCCK-UHFFFAOYSA-N 244.342 2.830 0 50 BFAA COCCC(C)(C)NC(=O)[C@H](C)c1ccccc1 338865874 PIAHBPOOTCWMQG-GFCCVEGCSA-N 249.354 2.721 0 50 BFAA C=CC(=O)N[C@@H]1CCOc2ccc(C(C)C)cc21 1875368022 JBPOYNSHXJPUCW-CYBMUJFWSA-N 245.322 2.936 0 50 BFAA Sc1nnc(-c2ccco2)n1-c1ccccc1 341952 CNWLGJLWFORSRE-UHFFFAOYSA-N 243.291 2.816 0 50 BFAA Cc1ccc(CC(=O)Nc2ccccn2)cc1 463478 UJNATFHOFBPSAX-UHFFFAOYSA-N 226.279 2.571 0 50 BFAA O=C(O)c1cc(-c2ccc(Cl)cc2)on1 874633 CRTZVRLESCICCT-UHFFFAOYSA-N 223.615 2.693 0 50 BFAA in-vitro O=[N+]([O-])/C=C/c1cccc(Br)c1 2559394 NWHBBZILZXZIBO-SNAWJCMRSA-N 228.045 2.697 0 50 BFAA CCCCN(CC)C(=O)c1ccc(OC)cc1 2990719 PYFBEXAGXADZGP-UHFFFAOYSA-N 235.327 2.957 0 50 BFAA CC(/C=C/c1ccc(F)cc1)=C\C(=O)O 4791038 ICCWCVGICATMKV-VHYPUYLQSA-N 206.216 2.870 0 50 BFAA C[C@]1(C(=O)Nc2ccncc2)CC1(Cl)Cl 11535863 LSKUAKBTZWKYBO-SECBINFHSA-N 245.109 2.604 0 50 BFAA C[C@H]1CCC[C@@H](C)N1C(=O)c1ccccc1N 12341474 ZNDUKWZNBHOKHB-PHIMTYICSA-N 232.327 2.672 0 50 BFAA in-vitro C[C@H]1CN(Cc2c(F)cccc2F)C[C@H](C)O1 19608805 XEFIXQWGJMEGAL-UWVGGRQHSA-N 241.281 2.574 0 50 BFAA CC(=O)COc1ccc(C(C)(C)C)cc1 35182089 UUWZYWFVLGHMTK-UHFFFAOYSA-N 206.285 2.952 0 50 BFAA O=C(O)c1ccc(-c2cc(F)ccc2F)cn1 61863372 YYSUWABBJBNJIL-UHFFFAOYSA-N 235.189 2.725 0 50 BFAA in-vitro COCCOc1ccc(F)cc1Cl 74937887 RXENEGBURNHZNI-UHFFFAOYSA-N 204.628 2.504 0 50 BFAA in-vitro CN(C)Cc1cc(F)cc(Br)c1 86694850 ZQIFWQVMUQTECS-UHFFFAOYSA-N 232.096 2.650 0 50 BFAA COc1nc(Br)ccc1Cl 118847102 CJXSBRMPNXLISI-UHFFFAOYSA-N 222.469 2.506 0 50 BFAA CCc1nn(C)cc1-c1ccc2c(c1)NCC2 168961097 QVHRUBYFQGXQGJ-UHFFFAOYSA-N 227.311 2.618 0 50 BFAA Cc1cnc(CN(C)Cc2cccc(F)c2C)[nH]1 215132521 ADWDRWIHJFBDTR-UHFFFAOYSA-N 247.317 2.798 0 50 BFAA O=C(O)c1cccc(CN2CCCCCCC2)n1 222623036 UPSPNRZXGYOHNB-UHFFFAOYSA-N 248.326 2.546 0 50 BFAA Oc1cc(Br)nc(C(F)(F)F)c1 238727514 VAHCTEZXCUEHEI-UHFFFAOYSA-N 241.994 2.569 0 50 BFAA Cc1ccc(C2(O)[C@H]3[C@H]4[C@@H]5C[C@H]6[C@@H]([C@@H]53)[C@@H]2[C@H]64)cc1 248118492 WHYBBQKFUVQAIC-VAXWZEKUSA-N 238.330 2.570 0 50 BFAA Oc1ccnc(OC2CCCC2)c1Cl 261494337 VFCXYJMQSFOKRA-UHFFFAOYSA-N 213.664 2.762 0 50 BFAA CCc1cnccc1NC(=O)C(C)(C)C 265060182 QNNRFVWGIHKDPI-UHFFFAOYSA-N 206.289 2.629 0 50 BFAA CC(C)C[C@H](CN)CC(=O)OCC1=CCCC1 585125712 CJGXFVILHZKIKM-ZDUSSCGKSA-N 239.359 2.651 0 50 BFAA NCCOc1ccccc1CCc1ccccc1 601008685 MMIPAPXRIJBVAL-UHFFFAOYSA-N 241.334 2.809 0 50 BFAA Cc1nc2ccc(CNC3CCCC3)cc2[nH]1 670444717 IJDBPYFXSPRGPW-UHFFFAOYSA-N 229.327 2.904 0 50 BFAA C=CC(=O)NC1(c2ccccc2Cl)CC1 863971091 DXEBVINWJXZZRM-UHFFFAOYSA-N 221.687 2.631 0 50 BFAA CC1(n2ccnc2[C@H]2CC=CCC2)CCNCC1 1875248482 SYVZIUNMRNMCOV-ZDUSSCGKSA-N 245.370 2.805 0 50 BFAA C=CC(=O)N[C@H](C)c1ccc2c(c1)CCC2 1875365996 LSEHUDOHUMTGPC-SNVBAGLBSA-N 215.296 2.539 0 50 BFAA CC(C)Oc1ccc(/C=C/C(=O)O)cc1 152372 COFJCCOVYSOPKE-VMPITWQZSA-N 206.241 2.572 0 50 BFAA biogenic,in-vitro CCC[C@@H](C)CC(C(=O)OCC)C(=O)OCC 1713975 GSEKUTHOMWBXQU-SNVBAGLBSA-N 244.331 2.555 0 50 BFAA COC(=O)c1ccc(COc2ccccc2C)o1 2738002 IXMASBUGINHXBH-UHFFFAOYSA-N 246.262 2.954 0 50 BFAA Nc1cc(-c2ccc(Br)cc2)no1 3715875 RKWRDXQHQYRFCX-UHFFFAOYSA-N 239.072 2.686 0 50 BFAA in-vitro CCc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3 5093173 LAHVAYPJHBIIKN-SSDOTTSWSA-N 248.351 2.672 0 50 BFAA CNCc1ccccc1OCc1ccccc1 5910047 ANNHHDJWGUQRPG-UHFFFAOYSA-N 227.307 2.985 0 50 BFAA CCCNC(=O)Nc1ccc(OC)cc1C 6726856 CZXFIUFTWDZIDC-UHFFFAOYSA-N 222.288 2.535 0 50 BFAA c1cncc([C@H]2CCN[C@@H](c3cccnc3)C2)c1 8437107 COWQBMIVVHLMNO-SWLSCSKDSA-N 239.322 2.685 0 50 BFAA biogenic,in-vitro COc1ccc(Br)cc1S 20587036 NVWMBFHESONALO-UHFFFAOYSA-N 219.103 2.746 0 50 BFAA in-vitro Brc1ccc(-c2ccccn2)nc1 28536181 AWJPULCSDFBFDR-UHFFFAOYSA-N 235.084 2.906 0 50 BFAA O=NN1CC23CC=CCC2(CC=CC3)C1 45070749 WEOFLFZNFTXTFJ-UHFFFAOYSA-N 204.273 2.656 0 50 BFAA CCCOC(=O)Cc1c[nH]c2ccccc12 57987651 MNSTXDVFCOCNAP-UHFFFAOYSA-N 217.268 2.664 0 50 BFAA in-vitro COc1ccc(Nc2ncc3c(n2)CCC3)cc1 65362512 DZTRWURGVDMWQQ-UHFFFAOYSA-N 241.294 2.718 0 50 BFAA COC(=O)c1ccc(-c2ccc(N)cc2)cc1F 74938308 XQXNCOKBZNIVJA-UHFFFAOYSA-N 245.253 2.862 0 50 BFAA in-vitro CC(C)(C)CCc1nc([C@H]2CCOC2)no1 96141403 JSZYHQHFSOZTLE-VIFPVBQESA-N 224.304 2.552 0 50 BFAA Oc1c(Br)ccc2c1CCC2 117877691 GOMUHOXBRCTZLM-UHFFFAOYSA-N 213.074 2.643 0 50 BFAA C[C@@H](CO)SCc1ccc2ncccc2c1 162628731 YTGVBTFMFYWEBZ-JTQLQIEISA-N 233.336 2.849 0 50 BFAA CN1CC(Br)=Cc2ccccc21 198834902 KYGKEZKZXVTCMP-UHFFFAOYSA-N 224.101 2.872 0 50 BFAA Brc1ccc(-c2cccnc2)[nH]1 211479023 QXBZWTLTEQTGTG-UHFFFAOYSA-N 223.073 2.839 0 50 BFAA Cc1ccc(CNc2ccncc2F)o1 225406539 COQMUSUZCYNXPB-UHFFFAOYSA-N 206.220 2.734 0 50 BFAA FC(F)(F)c1cnc(-c2ncn[nH]2)c(Cl)c1 261494731 BEJYKZSSBXOSRB-UHFFFAOYSA-N 248.595 2.539 0 50 BFAA Cc1nccnc1N1CCC[C@@H]1c1cccnc1 357321127 YNDHFIJSFNFROU-CYBMUJFWSA-N 240.310 2.522 0 50 BFAA Cc1[nH]nc(C(C)C)c1-c1cccnc1 426739095 SCTJURAZVZZDEJ-UHFFFAOYSA-N 201.273 2.904 0 50 BFAA C[C@@H](NC(=O)NC(C)(C)C)C1=CCCCC1 827989695 WDPOSVRRDFCCQQ-SNVBAGLBSA-N 224.348 2.973 0 50 BFAA C[C@@H]1CCCN(C2CSCCSC2)CC1 1506415052 UFWWXLYVJPLMRX-LLVKDONJSA-N 245.457 2.957 0 50 BFAA FC1(F)C[C@@H]1Cn1ccnc1-c1ccco1 1875245718 NKMDQJBPNUOGGI-MRVPVSSYSA-N 224.210 2.798 0 50 BFAA CC[C@H](Oc1ccccc1)C(=O)NC1CCCC1 35404 MVCFXYGLRMSKCA-AWEZNQCLSA-N 247.338 2.903 0 50 BFAA Cc1cc(C)c2c(C)nn(C(C)C)c2n1 184907 ICMAZOPMXQTRKY-UHFFFAOYSA-N 203.289 2.937 0 50 BFAA COc1cccc2c3c(c(C)nc12)C[C@H](C)O3 245180 MZPYLXKRBJRNSK-QMMMGPOBSA-N 229.279 2.875 0 50 BFAA biogenic Cc1cc(O[C@@H](C)C(=O)O)cc(C)c1Cl 2789348 OGSDXLUKTYSYNE-QMMMGPOBSA-N 228.675 2.809 0 50 BFAA in-vitro O[C@@H](c1ccco1)C(F)(F)C(F)(F)F 4269618 FQPMLAVDXFSOFL-YFKPBYRVSA-N 216.105 2.511 0 50 BFAA CCCc1cc(=O)[nH]c(Nc2ccccc2F)n1 5182435 PKDFHRREPYQILX-UHFFFAOYSA-N 247.273 2.605 0 50 BFAA CC[C@@H](C)NC(=O)[C@@H](C)Oc1cc(C)ccc1C 13710106 DIKWMGQSLHGBDL-CHWSQXEVSA-N 249.354 2.985 0 50 BFAA CC[C@H](C)NC(=O)N[C@H]1CCCC[C@@H]1C 13745674 NZTAKZCQLDQXAZ-DCAQKATOSA-N 212.337 2.663 0 50 BFAA O=C(O)c1cc(Br)cc2[nH]ccc12 14984982 LIXZNRVUWPYCNC-UHFFFAOYSA-N 240.056 2.629 0 50 BFAA in-vitro CC(C)Cc1ccc(CN2CCC[C@H](N)C2)cc1 19735492 HVBYHCHNEWLEBK-INIZCTEOSA-N 246.398 2.808 0 50 BFAA Nc1cccc(Oc2ccc(Cl)nn2)c1 21303446 SRZDKTAYKBHIIJ-UHFFFAOYSA-N 221.647 2.505 0 50 BFAA in-vitro Nc1ccc(F)cc1C(=O)Nc1ccccc1 34959008 LZCUYKGRVYUUCY-UHFFFAOYSA-N 230.242 2.660 0 50 BFAA CCOC(=O)[C@]1(C)C2=C(CCC2=O)CC[C@H]1C 45071821 ILALNAMAFMHOCC-OTYXRUKQSA-N 236.311 2.645 0 50 BFAA Fc1cc(F)cc(OCC[C@H]2CCCNC2)c1 54933121 DONPIEIEPBAXQB-SNVBAGLBSA-N 241.281 2.733 0 50 BFAA CCNC(=O)c1ccccc1-c1ccc(O)cc1 67642796 PKRRTNBUIOPJDC-UHFFFAOYSA-N 241.290 2.809 0 50 BFAA O=Cc1cnc2cc(Br)ccc2c1 82331842 XQKNZUWXMUYLKO-UHFFFAOYSA-N 236.068 2.810 0 50 BFAA Cc1nc(-c2c(C)n[nH]c2C)c2ccccc2n1 96152590 GHHZDZHAJYACEJ-UHFFFAOYSA-N 238.294 2.945 0 50 BFAA COC(=O)c1ccccc1-c1cccc(O)c1 97757366 ZRAIWPOTPHTNKD-UHFFFAOYSA-N 228.247 2.846 0 50 BFAA CCn1cc(CNc2noc3ccccc23)cn1 225515888 SOLNGGYGQUENOR-UHFFFAOYSA-N 242.282 2.656 0 50 BFAA CC[C@@H](O)CN1CCc2cc(F)ccc2[C@H]1C 240551698 GVLMHPPHZZJDSC-ZWNOBZJWSA-N 237.318 2.516 0 50 BFAA S=C1O[C@H]2CC3[C@H]4CCCC[C@H]3C4C[C@H]2O1 257359033 XZEPRFSKSJNMIY-FSMBUFGASA-N 238.352 2.902 0 50 BFAA c1ccc2c(N[C@@H]3C[C@H]4OCC[C@@H]34)nccc2c1 1074651215 AQIJPZYRYYGCFY-BFHYXJOUSA-N 240.306 2.824 0 50 BFAA Cc1nc(NCC2(CO)CCC2)ccc1Cl 1156272271 ROHGQPOMXACLEW-UHFFFAOYSA-N 240.734 2.618 0 50 BFAA C=CC(=O)Nc1cc(C(=O)CC)ccc1F 1776003245 HJVYMXYJGPGJAO-UHFFFAOYSA-N 221.231 2.543 0 50 BFAA Fc1cccc(-c2cnc3ncccn23)c1F 1875321541 MJBGPEVAYFLBMI-UHFFFAOYSA-N 231.205 2.675 0 50 BFAA O=C(O)Cn1c(=S)sc2ccccc21 124109 GFQJZSIWWOBJKT-UHFFFAOYSA-N 225.294 2.517 0 50 BFAA in-vitro CC(C)(C)c1cc(N)n(-c2ccccc2)n1 252685 GFWSTBBSSBVVQP-UHFFFAOYSA-N 215.300 2.752 0 50 BFAA in-vitro Cc1[nH]ncc1C(=S)Nc1ccccc1 432487 CEUNRAXHAOQSSY-UHFFFAOYSA-N 217.297 2.506 0 50 BFAA CCCCc1ccc(NC(=O)/C=C/C(=O)O)cc1 1671522 RHNAPQKAHBDNLV-MDZDMXLPSA-N 247.294 2.609 0 50 BFAA in-vitro Cc1ccc(I)cc1C 2168476 CSFRCLYFVINMBZ-UHFFFAOYSA-N 232.064 2.908 0 50 BFAA in-vitro Nc1nnc(SC/C=C/c2ccccc2)s1 2995051 DSHMRHVZMCWXOA-QPJJXVBHSA-N 249.364 2.926 0 50 BFAA CCn1c(C)c(C(C)=O)c(C(C)=O)c1C 4744427 RJDIPVKGYRACJU-UHFFFAOYSA-N 207.273 2.530 0 50 BFAA CC[C@H](C)NC(=O)c1cc2ccccc2o1 4839110 JQZILTPLRFQRJS-VIFPVBQESA-N 217.268 2.961 0 50 BFAA Cc1ccc(C(=O)Nc2ccccc2F)o1 5618463 LAVAAWDCUIDVCV-UHFFFAOYSA-N 219.215 2.979 0 50 BFAA Fc1ccc(Cn2nc(Cl)nc2Cl)cc1 6667852 SPSDJCVQXUVUNT-UHFFFAOYSA-N 246.072 2.772 0 50 BFAA Cc1cc(C)c(C(=O)NC(C)C)c(C)c1 6726828 UAULLUPFXYZHKQ-UHFFFAOYSA-N 205.301 2.750 0 50 BFAA Cc1ccc(C(=O)Nc2cccnc2)s1 16604602 IBWDDFOLIBUUKX-UHFFFAOYSA-N 218.281 2.704 0 50 BFAA Cc1cc(F)cc(Br)c1C(=O)O 39953643 VOFBSAUUUDKWGR-UHFFFAOYSA-N 233.036 2.595 0 50 BFAA Cc1cccc(O[C@@H](C)C(=O)NC(C)(C)C)c1C 44900312 MBZFSLCWEFYITN-LBPRGKRZSA-N 249.354 2.985 0 50 BFAA CCOc1ccccc1CNC(=O)C(C)(C)C 53165812 SYAZPDGTGMOJLG-UHFFFAOYSA-N 235.327 2.748 0 50 BFAA COc1cc(OC)nc(/C=C/c2ccccc2)n1 67561548 ZMOFEZKHEJCODB-CMDGGOBGSA-N 242.278 2.664 0 50 BFAA Clc1cnc2ccc(Br)cn12 84424534 MFWMBCKAGFPRTN-UHFFFAOYSA-N 231.480 2.750 0 50 BFAA in-vitro COc1cccc(CN2C(=O)OC[C@@H]2C(C)C)c1 95524806 ZLPYVDPJDHYNMQ-CYBMUJFWSA-N 249.310 2.672 0 50 BFAA Cc1ccc(NC(=O)C2[C@@H]3CCC[C@@H]23)cc1O 128195373 GEOGVAODMLRGLK-GHMZBOCLSA-N 231.295 2.685 0 50 BFAA COc1cccc(OC)c1-c1cnc(C)c(C)n1 216063142 XSNYMNJYUCEQER-UHFFFAOYSA-N 244.294 2.778 0 50 BFAA O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NC1CCCC1 248531689 PKDKXAPQIQXUBJ-SRVKXCTJSA-N 221.344 2.872 0 50 BFAA Cc1c(F)cc(Cl)c(CC(=O)O)c1F 255187913 HORMEUGYUQGAOW-UHFFFAOYSA-N 220.602 2.554 0 50 BFAA CC(=O)c1cc(F)c(F)c(Br)c1 258302584 ZXSAYYJRGMXVSC-UHFFFAOYSA-N 235.027 2.930 0 50 BFAA CCS[C@H](C)c1noc([C@@]2(C)CCCO2)n1 357310314 GOTRZNANXDPFRQ-LDYMZIIASA-N 242.344 2.909 0 50 BFAA c1cc(NCc2ccc3c(c2)OCCO3)ns1 952992887 FQHNGUIJHQDRGC-UHFFFAOYSA-N 248.307 2.526 0 50 BFAA O=C(O)c1c(F)ccc(F)c1OC(F)(F)F 1083811122 YVANGHZCGUGZFV-UHFFFAOYSA-N 242.099 2.562 0 50 BFAA C=CC(=O)N[C@@H](C)c1ccccc1SC 1356521750 XYLOIILBBHAUBK-VIFPVBQESA-N 221.325 2.772 0 50 BFAA COc1cc(SC)ccc1C(=O)NC(C)C 30536 UFUJQWNPKJAKMR-UHFFFAOYSA-N 239.340 2.555 0 50 BFAA O=C1N[C@H](c2ccccc2)[C@@H](c2ccccc2)N1 61497 MLAJDFOBMYBISF-ZIAGYGMSSA-N 238.290 2.782 0 50 BFAA c1coc(CNc2ccc3c(c2)OCO3)c1 279927 LEFBIPRUKQBNJF-UHFFFAOYSA-N 217.224 2.620 0 50 BFAA CCN(CC)C(=O)N(C)c1ccccc1 400467 SMHSXUILUNIYJZ-UHFFFAOYSA-N 206.289 2.585 0 50 BFAA Cc1cc(F)c(F)cc1C(=O)N1CCCC1 444491 OMNXMXCZSVIIJK-UHFFFAOYSA-N 225.238 2.509 0 50 BFAA CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 4256880 CCWNPDYOSNXDOP-UHFFFAOYSA-N 236.359 2.664 0 50 BFAA O=C(c1ccco1)N1CCCCCCC1 6725695 MCLQPHVJZMNGBS-UHFFFAOYSA-N 207.273 2.686 0 50 BFAA Cc1cc(C(=O)Nc2ccc(F)cc2F)on1 6738050 WKIMLBRFRFXJNX-UHFFFAOYSA-N 238.193 2.514 0 50 BFAA CC[C@@H](C)Oc1ccc(NC(C)=O)cc1 10470255 ZCQCUCIDQQCYIT-SECBINFHSA-N 207.273 2.822 0 50 BFAA Cc1cccc(CN2C[C@H](C)O[C@H](C)C2)c1 12341305 HPNXLNJSYNWUNL-BETUJISGSA-N 219.328 2.604 0 50 BFAA CCc1ccc(C(=O)Nc2ccncc2)s1 16604862 JUOOUWPXPUDIDM-UHFFFAOYSA-N 232.308 2.958 0 50 BFAA O=Cc1ccc(C(=O)Nc2ccccc2)cc1 21987659 RZNRQVIXISJXTK-UHFFFAOYSA-N 225.247 2.751 0 50 BFAA COc1cc(-c2c(C)cc(C)cc2C)nc(N)n1 32576252 RVQMOTHXAWDCCR-UHFFFAOYSA-N 243.310 2.660 0 50 BFAA Cc1cc(F)cc(I)c1 55161520 OIYMMFUTIUURQT-UHFFFAOYSA-N 236.027 2.739 0 50 BFAA in-vitro C1=CC[C@H](c2nccn2CCc2ncc[nH]2)CC1 67714419 ZCWVYWCTTFSXHH-LBPRGKRZSA-N 242.326 2.673 0 50 BFAA CCc1ccc(CC(=O)N[C@H](C)CC)cc1 71384620 JJVUQCWNXYMDQE-LLVKDONJSA-N 219.328 2.706 0 50 BFAA CCCCn1cnc2cc(C(=O)OC)ccc21 95496062 HWGYDWBVCLBXRF-UHFFFAOYSA-N 232.283 2.623 0 50 BFAA CC(C)(C)OC(=O)NC1(c2ccco2)CC1 97455232 GAMMLGKFYYBTHX-UHFFFAOYSA-N 223.272 2.793 0 50 BFAA O=C(O[C@@H]1CCOc2ccccc21)c1ccoc1 241515510 OFXQNCWLVSKZRF-CYBMUJFWSA-N 244.246 2.960 0 50 BFAA CC1(C)CCC[C@@H]1N[C@@H]1CCN2CCC[C@H]2C1 251180700 QTMLNUMBLBWNSJ-RDBSUJKOSA-N 236.403 2.782 0 50 BFAA FC(F)Oc1cnccc1C(F)(F)F 263624919 VEWDSJUAZZCOAX-UHFFFAOYSA-N 213.105 2.702 0 50 BFAA O=[N+]1C(c2ccccc2)=CN(O)[C@H]2CCCC[C@@H]21 334157234 YTLJVIPSWQNKCW-STQMWFEESA-N 245.302 2.780 0 50 BFAA CCOC(=O)C=Cc1c[nH]c2ccccc12 1857790653 OQJSITNIWIYWPU-UHFFFAOYSA-N 215.252 2.744 0 50 BFAA c1ccc(-c2nccn2CC[C@@H]2CCOC2)cc1 1875249120 JDNVIXPFWLBOAD-CYBMUJFWSA-N 242.322 2.977 0 50 BFAA FC1(F)C[C@@H]1Cn1ccnc1-c1cccnc1 1875249552 ANAOOQXYYIQOJX-SNVBAGLBSA-N 235.237 2.600 0 50 BFAA N=c1ncc(-c2cc3c(F)cccc3s2)c[nH]1 1875340031 ITMQNUJUACGJRH-UHFFFAOYSA-N 245.282 2.910 0 50 BFAA CC(C)CNc1nccc(-c2cnsc2)n1 2325791675 KIJXXFCALZKSPI-UHFFFAOYSA-N 234.328 2.668 0 50 BFAA Cc1ccc([C@@H]2NC(=O)c3ccccc3N2)cc1 165044 ZRJPAELTYZGKSY-AWEZNQCLSA-N 238.290 2.849 0 50 BFAA CCOC(=O)[C@H]1CCCCN1Cc1ccccc1 207497 WCGHYUMBCGJLQB-CQSZACIVSA-N 247.338 2.604 0 50 BFAA Cc1ccc(/C=C/C(=O)NCc2ccco2)cc1 226927 PRFVTXBSVOKCSW-CMDGGOBGSA-N 241.290 2.918 0 50 BFAA COC(=O)[C@@H](C)Cc1c[nH]c2ccccc12 336824 POHSJYQQRZRBKR-VIFPVBQESA-N 217.268 2.520 0 50 BFAA biogenic O=C(c1ccc(Cl)cc1)c1cccnc1 394834 VZWGUDFNQIAHEY-UHFFFAOYSA-N 217.655 2.966 0 50 BFAA in-vitro Cc1ccccc1OCCCCN(C)C 2824885 VGZABUNQYJDKLB-UHFFFAOYSA-N 207.317 2.716 0 50 BFAA CN1CCC(N2CCC[C@@H]3CCCC[C@@H]32)CC1 4022704 MGESHONGICXGSQ-ZFWWWQNUSA-N 236.403 2.735 0 50 BFAA Clc1ccc(-c2nn3cnnc3s2)cc1 4487453 MHPSEWKVCBQBNU-UHFFFAOYSA-N 236.687 2.506 0 50 BFAA CCc1nnc2sc(-c3ccccc3F)nn12 4487455 TZCYNYSOYRRKPG-UHFFFAOYSA-N 248.286 2.554 0 50 BFAA COCCNCc1ccc(Cl)cc1Cl 4688980 HWGNOLUPGPEOIZ-UHFFFAOYSA-N 234.126 2.729 0 50 BFAA Cc1c(C(=O)O)n(C)c2ccc(Cl)cc12 4992723 YWHLWJBYLZEDNM-UHFFFAOYSA-N 223.659 2.838 0 50 BFAA Cc1ccc(Br)c(C)c1C(=O)O 7023270 KSSHISAHZOMUES-UHFFFAOYSA-N 229.073 2.764 0 50 BFAA in-vitro COc1ccc(C=O)cc1OCCC(C)C 8560496 DXKJFUIMEVOZKJ-UHFFFAOYSA-N 222.284 2.933 0 50 BFAA in-vitro CCCCCOc1cccc(C(=O)O)c1 11798718 VPZYUWQXSZTNSK-UHFFFAOYSA-N 208.257 2.954 0 50 BFAA Cc1ccc2nc(-c3ccccc3)[nH]c(=O)c2c1 27515246 YAEHYTHSAFRMPM-UHFFFAOYSA-N 236.274 2.899 0 50 BFAA Cc1ccc(CNC(=O)Nc2c(C)noc2C)o1 95513114 WBIDUWUFJKSNNX-UHFFFAOYSA-N 249.270 2.515 0 50 BFAA Cc1cc(Br)cc(/C=C/C(=O)O)c1 306394423 DSMGVINLXZECBW-NSCUHMNNSA-N 241.084 2.855 0 50 BFAA CCC/C=C/c1ccc(C(=O)N2CCOCC2)o1 426538698 YJOMRNDFEGSIBC-SNAWJCMRSA-N 249.310 2.565 0 50 BFAA Cc1nc(N2C[C@H]3C[C@@]3(C)C2)c2sccc2n1 1800409594 ITDDCTBSZCPYDZ-RNCFNFMXSA-N 245.351 2.846 0 50 BFAA Clc1cscc1CSc1nc[nH]n1 2325821109 DKWFETFYVAGWTR-UHFFFAOYSA-N 231.733 2.812 0 50 BFAA O=C(O)c1ccc(COc2ccc(F)cc2)o1 133373 KYVUAHUKHLAOMK-UHFFFAOYSA-N 236.198 2.696 0 50 BFAA COc1ccc(CCc2ncccc2O)cc1 186613 HRFPTQCLYZRBDT-UHFFFAOYSA-N 229.279 2.581 0 50 BFAA CN(Cc1ccccc1)Cc1ccco1 279023 AIJGUWFOWTUVTJ-UHFFFAOYSA-N 201.269 2.912 0 50 BFAA Cc1ccc(C(=O)Nc2ccc(Cl)cn2)o1 1056538 KSEXATZFRRMRQN-UHFFFAOYSA-N 236.658 2.889 0 50 BFAA Fc1ccc(NC(=S)S)c(F)c1 2565033 RQTATDBHQQPAPI-UHFFFAOYSA-N 205.254 2.591 0 50 BFAA CC(=O)c1cc(Cl)c(O)c(Cl)c1 2565996 FXSIZYWHUQEXPC-UHFFFAOYSA-N 205.040 2.902 0 50 BFAA CCOc1cc(OCC)cc(C(C)=O)c1 2579279 KEJDYKMTNWEIAR-UHFFFAOYSA-N 208.257 2.687 0 50 BFAA in-vitro C/C=C(\C)CN(C)Cc1nc2ccccc2n1C 65406175 FZAMRISNVKKSSS-LFYBBSHMSA-N 243.354 2.971 0 50 BFAA Clc1ccc([C@]23CNC[C@@H]2C3)cc1Cl 100050295 BSMNRYCSBFHEMQ-KWQFWETISA-N 228.122 2.854 0 50 BFAA investigational C=CC(=O)NCc1ccc(-c2ccncc2)cc1 115290031 LAJAHQKDYXGTOP-UHFFFAOYSA-N 238.290 2.551 0 50 BFAA O=C(O)c1cnc2cccc(C(F)(F)F)c2c1 139401877 ANUJNRFBZLQMPT-UHFFFAOYSA-N 241.168 2.952 0 50 BFAA COCC(=O)c1cc2ccccc2s1 229182458 LTBFUYDTIDIPPK-UHFFFAOYSA-N 206.266 2.730 0 50 BFAA Cc1ccccc1[C@@H]1C[C@H](C)N([C@@H](C)C(=O)O)C1 237545537 ISUZEUDDYACWPR-RWMBFGLXSA-N 247.338 2.646 0 50 BFAA CCO[C@@H](C)c1nc(-c2cc(C)cc(C)n2)no1 330912914 REAKUOWZVJVDNN-JTQLQIEISA-N 247.298 2.846 0 50 BFAA COc1cc2c(Cl)nc(C)nc2cc1F 394732297 QTHVVJIFDGSVDR-UHFFFAOYSA-N 226.638 2.739 0 50 BFAA COc1cc(-c2cccc(C=O)c2F)ccn1 394945124 UVSQDFNSTMNNSN-UHFFFAOYSA-N 231.226 2.709 0 50 BFAA CC1(C)CCCCN(c2ncnc3[nH]ccc23)C1 445668333 MJHCIKKWDIVJDU-UHFFFAOYSA-N 244.342 2.974 0 50 BFAA CCc1c(C(C)(C)C)noc1NC(=O)C(F)F 585124847 VQBUJZQKGTZNDK-UHFFFAOYSA-N 246.257 2.738 0 50 BFAA C[C@@]1(c2ccc(Cl)cc2)CCOCO1 410050 QAGPRQYGZQGOFH-NSHDSACASA-N 212.676 2.950 0 50 BFAA CCc1ccc(C(=O)CCCC(=O)O)cc1 2579938 FWKMYWRTBXKGBU-UHFFFAOYSA-N 220.268 2.687 0 50 BFAA CC[C@H](NC(=O)C1CC1)c1ccccc1 2765925 MKLNLCLJYJQFQC-LBPRGKRZSA-N 203.285 2.664 0 50 BFAA CC(C)c1cccc2cc(C(=O)O)[nH]c12 3748654 FDRHWXHKWSSVBJ-UHFFFAOYSA-N 203.241 2.990 0 50 BFAA Cc1ccc(OCCN2CCCC2)cc1C 4989727 SQHUHJVIIHOLAG-UHFFFAOYSA-N 219.328 2.778 0 50 BFAA COc1ccc(CN2CCCCC2)cc1C 23281413 PEEZDMZELRJUMR-UHFFFAOYSA-N 219.328 2.990 0 50 BFAA COc1cc(C=O)c(Cl)cc1Cl 67802868 DXKTXDIOPFHUEI-UHFFFAOYSA-N 205.040 2.815 0 50 BFAA C[C@H](N)c1ccc(F)cc1Br 78222516 CASYPDKXSSJANQ-YFKPBYRVSA-N 218.069 2.608 0 50 BFAA CNc1nc(-c2cncc(C)c2)cs1 170606696 BJEIYXUAHPHFND-UHFFFAOYSA-N 205.286 2.555 0 50 BFAA c1ccc(C[C@@H]2CCCN2Cc2c[nH]cn2)cc1 179901542 WTFJYPNONRORIX-HNNXBMFYSA-N 241.338 2.617 0 50 BFAA O=C(O)c1ccc2ncccc2c1Cl 211781290 MUPAMJNGOIEAQU-UHFFFAOYSA-N 207.616 2.586 0 50 BFAA C[C@H](NC(=O)C(C)(C)C(F)F)c1nccs1 225397238 ZTSPHUABBDHQJI-LURJTMIESA-N 248.298 2.612 0 50 BFAA C[C@@H]1CCCCCN1C(=O)[C@@H]1C[C@H]2C=C[C@H]1C2 357807426 ZJDFKKKYQKISNU-ZOBORPQBSA-N 233.355 2.990 0 50 BFAA CN[C@H]1[C@H]2CC[C@@H](C2)[C@H]1c1ccc(F)cc1 526058955 FNZPIQOIWZUNAL-VTPLQMEGSA-N 219.303 2.927 0 50 BFAA Cc1ccc(OC2CN([C@H]3CCSC3)C2)cc1 670449815 DJNREQJHUGALPO-LBPRGKRZSA-N 249.379 2.564 0 50 BFAA CSCC[C@@H](C)NCC(C)(C)N1CCCC1 824896280 XUNLNNHDSMVCNG-GFCCVEGCSA-N 244.448 2.592 0 50 BFAA NCCCc1coc(-c2c[nH]c3ccccc23)n1 953075687 JUJHSVGIUBAKRK-UHFFFAOYSA-N 241.294 2.714 0 50 BFAA Cc1cnc(NCC2(CC(C)C)CCC2)nc1N 1529101637 IZWTVFMNWXONEE-UHFFFAOYSA-N 248.374 2.996 0 50 BFAA CC(C)(C)OC(=O)n1nccc1C(F)(F)F 1772572549 NIVMEEXNKLKLFE-UHFFFAOYSA-N 236.193 2.685 0 50 BFAA Cc1ccc(CNC(=O)Cc2cccs2)cc1 30723 CWLVAWNDMFRWPI-UHFFFAOYSA-N 245.347 2.915 0 50 BFAA O=C(Nc1cccnc1)c1ccc(Cl)cc1 92075 BGSUATYDORXBCT-UHFFFAOYSA-N 232.670 2.987 0 50 BFAA C[C@H](NC(=O)c1ccccc1C(=O)O)C(C)(C)C 391517 QUZGNIZLRAGRHB-VIFPVBQESA-N 249.310 2.549 0 50 BFAA COc1ccccc1OCCN1CCCCC1 431580 MABOUYKXKLSVNK-UHFFFAOYSA-N 235.327 2.560 0 50 BFAA C[C@@H]1S[C@H](c2ccccc2Cl)NC1=O 444570 BYOSTEFUXFDWRR-QUBYGPBYSA-N 227.716 2.590 0 50 BFAA COC(=O)c1ccc(COCC(F)(F)F)cc1 550002 IISDTIVIEHHIHD-UHFFFAOYSA-N 248.200 2.552 0 50 BFAA CCOc1ccc(-c2n[nH]c(=S)n2C)cc1 2481658 LZFBQLLJKSXZST-UHFFFAOYSA-N 235.312 2.543 0 50 BFAA O=C(O)[C@H](C[C@H]1CCCS1)C(F)(F)F 4291199 WZMDICHYPNRSDP-RITPCOANSA-N 228.235 2.535 0 50 BFAA O=C(c1cccnc1)c1ccccc1Cl 4771102 NPMCFDJRPUNFPJ-UHFFFAOYSA-N 217.655 2.966 0 50 BFAA in-vitro CC[C@@H](C)NC(=O)c1ccc(C)c(C)c1 5467713 JDKBCQVNEDPWEJ-LLVKDONJSA-N 205.301 2.832 0 50 BFAA Clc1c[nH]c2ncc(Br)cc12 19045516 DRLODJQNNSYVRH-UHFFFAOYSA-N 231.480 2.979 0 50 BFAA in-vitro COc1cc2cc[nH]c2cc1Br 34317201 LYRDXFOLYOIABR-UHFFFAOYSA-N 226.073 2.939 0 50 BFAA in-vitro Nc1ncc(-c2ccc(Br)cc2)o1 34883594 IOHKMNVCWGUVBX-UHFFFAOYSA-N 239.072 2.686 0 50 BFAA CCNc1ccc(-c2ccc(OC)c(F)c2)nn1 50868044 FPMBWHNBAUUEAC-UHFFFAOYSA-N 247.273 2.723 0 50 BFAA COC(=O)c1cc2cc(F)c(Cl)cc2[nH]1 66338804 XDQKXGXEXMQZGB-UHFFFAOYSA-N 227.622 2.747 0 50 BFAA COc1cccc(C2(C(=O)O)CC3(CCC3)C2)c1 86544457 QEBQJUGDQDXGSJ-UHFFFAOYSA-N 246.306 2.982 0 50 BFAA COCCOc1cc(Br)ccc1F 96024788 ATSLAOPDEIFBDU-UHFFFAOYSA-N 249.079 2.613 0 50 BFAA CC1(C)CCC[C@H]1NCCOCC1CC1 167472292 PWOLAWURWWSRLN-GFCCVEGCSA-N 211.349 2.581 0 50 BFAA COc1ccc(-c2cccc(SC)n2)cn1 426551934 DNTMPYFNNXAONZ-UHFFFAOYSA-N 232.308 2.874 0 50 BFAA C=CC(=O)NCCn1ccc2cc(Cl)ccc21 863971357 QDXYZCGGZPDJDS-UHFFFAOYSA-N 248.713 2.597 0 50 BFAA Oc1ccc(-c2nccn2[C@H]2CCSC2)cc1 1875241066 NSNTXCXLJXBHFK-NSHDSACASA-N 246.335 2.934 0 50 BFAA Cc1cc(C(=O)NC[C@H](C)F)sc1Cl 1875323001 RKAXLZZUJSKVAT-LURJTMIESA-N 235.711 2.798 0 50 BFAA O=C(NC1CCCCC1)c1ccccc1 61530 KQJYDHWNYPRIRY-UHFFFAOYSA-N 203.285 2.749 0 50 BFAA biogenic CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1 378691 QSKRRXSLYFMQSJ-LLVKDONJSA-N 244.250 2.570 0 50 BFAA COC(=O)c1ccc2ccccc2c1OC 401237 IKYRLYKWULPUNA-UHFFFAOYSA-N 216.236 2.635 0 50 BFAA CC(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1C 407876 NYHWEIQZVGZLRW-UHFFFAOYSA-N 246.262 2.644 0 50 BFAA biogenic CCOC(=O)c1cc(Cl)c(N)c(Cl)c1 1750455 MIDALAPASRDTOZ-UHFFFAOYSA-N 234.082 2.752 0 50 BFAA in-vitro CCOC(=O)[C@H](C)Oc1cc(C)cc(C)c1 2735455 VUORDMCVSLAQAB-NSHDSACASA-N 222.284 2.634 0 50 BFAA O=C(O)c1cccc(-c2cccc(C(=O)O)c2)c1 3897007 KHZYMPDILLAIQY-UHFFFAOYSA-N 242.230 2.750 0 50 BFAA biogenic,in-vitro Cc1ccc(-c2noc(C)c2C(=O)O)cc1 4992685 IAGFERXYANTCJG-UHFFFAOYSA-N 217.224 2.657 0 50 BFAA CC(C)(C)NC(=S)Nc1ccccc1 5138107 JHMCTNQTJNGVRX-UHFFFAOYSA-N 208.330 2.772 0 50 BFAA in-vitro CC[C@H](Oc1cccc(C(F)(F)F)c1)C(=O)O 6048936 HDTBFPIWBVTQGT-VIFPVBQESA-N 248.200 2.947 0 50 BFAA COC(=O)c1cccc(-c2ccccn2)c1 6544735 WSFNTSUFRZCBNQ-UHFFFAOYSA-N 213.236 2.535 0 50 BFAA NC(=O)c1ccc(-c2ccc(F)c(Cl)c2)o1 6701313 JYPKQWYPZMONOJ-UHFFFAOYSA-N 239.633 2.838 0 50 BFAA COc1ccc(CNCCC(C)C)cc1OC 12382216 BDUIJHAHSRAUGH-UHFFFAOYSA-N 237.343 2.840 0 50 BFAA biogenic COCC(=O)Nc1ccc(OC2CCCC2)cc1 29027829 XAKSPSWNUXKFMM-UHFFFAOYSA-N 249.310 2.593 0 50 BFAA CCOc1cccc(-c2cccc(N)n2)c1 32553327 FUBIYHHIXAOQPJ-UHFFFAOYSA-N 214.268 2.730 0 50 BFAA in-vitro N[C@H](c1cccc(Cl)c1)C(F)(F)F 38540722 VWKRJAXYSCHDKI-SSDOTTSWSA-N 209.598 2.902 0 50 BFAA in-vitro CCOC(=O)C(C)(C)C(=O)C1CCCCC1 41247301 NTJAUFQEOKUBLM-UHFFFAOYSA-N 226.316 2.725 0 50 BFAA Cc1cccc(OCCNC(=O)C(C)(C)C)c1 56825657 ZSGVJJXNBLQLFG-UHFFFAOYSA-N 235.327 2.536 0 50 BFAA CC[C@]1(C(=O)O)CCCN(Cc2ccccc2)C1 62877557 RYPAYHSHXCUXSE-HNNXBMFYSA-N 247.338 2.763 0 50 BFAA O=C(O)c1cnccc1-c1ccsc1 65355578 GHKSDGLKJMRIDL-UHFFFAOYSA-N 205.238 2.508 0 50 BFAA in-vitro Cc1ccc(OC[C@@H](C)NC(=O)C(C)C)cc1 67086382 BMIRQWDSQNGKMY-GFCCVEGCSA-N 235.327 2.535 0 50 BFAA C[C@@]12CCCCC1=NN(c1ccccc1)C2=O 71774161 WGUHAEFYDBOPEH-CQSZACIVSA-N 228.295 2.970 0 50 BFAA CCN(C(=O)c1occc1C)c1ncccc1C 253431377 PTIMZHPHALBIEV-UHFFFAOYSA-N 244.294 2.958 0 50 BFAA O=C(Nc1ccc(Cl)nc1)C1CC(F)(F)C1 383514163 SXEGQGZIJLWKPS-UHFFFAOYSA-N 246.644 2.719 0 50 BFAA Cc1cc(CN2CCCC2)cc(-c2cn[nH]c2)c1 426511982 CKICHMIGMSRWII-UHFFFAOYSA-N 241.338 2.981 0 50 BFAA C[C@@H](Cc1ccccc1)N(C)C(=O)c1ccco1 669369975 RXSDTLIXVOHPLE-LBPRGKRZSA-N 243.306 2.983 0 50 BFAA Cc1c[nH]cc1C(=O)Nc1cccnc1C1CC1 1119920385 RSNFPATYOVWDHR-UHFFFAOYSA-N 241.294 2.848 0 50 BFAA C1CCC(N2CCc3[nH]nc(C4CC4)c3CC2)C1 1857697376 SFLNOHMWZZDGKO-UHFFFAOYSA-N 245.370 2.630 0 50 BFAA C[C@@H](n1ccnc1-c1cccc(F)c1)C1(O)CC1 1940197022 MONHMNSVFKTTSU-SNVBAGLBSA-N 246.285 2.775 0 50 BFAA Cc1sc(N)nc1-c1ccc(F)c(F)c1 36369 UCSZOFSNFUSPSQ-UHFFFAOYSA-N 226.251 2.979 0 50 BFAA in-vitro CCOc1ccccc1C(=O)Nc1nccs1 128818 GRPQOZSPLANUIZ-UHFFFAOYSA-N 248.307 2.794 0 50 BFAA O=C(Nc1ccc(F)cc1F)c1ccco1 210098 NCISZYGNZTUTJJ-UHFFFAOYSA-N 223.178 2.810 0 50 BFAA O=C1c2ccccc2[C@@H]2OCc3ccccc3N12 213956 HOGLTLSXJBYIMW-HNNXBMFYSA-N 237.258 2.876 0 50 BFAA C[C@@H](CCc1ccccc1)NC[C@H]1CCCO1 221436 MCHGAQOKJAJLPN-DZGCQCFKSA-N 233.355 2.776 0 50 BFAA O=C(Nc1ccncc1)c1ccccc1Cl 242270 LAPMELZAGCLQGW-UHFFFAOYSA-N 232.670 2.987 0 50 BFAA Nc1ccc(F)cc1C(=O)c1ccccc1 269415 OTBMFWQZXXWHOO-UHFFFAOYSA-N 215.227 2.639 0 50 BFAA in-vitro COc1ccccc1NC(=O)Nc1ccccn1 318920 PPOMWIGRSYMRAU-UHFFFAOYSA-N 243.266 2.734 0 50 BFAA O=C(NCc1ccccc1)C1CCCCC1 409042 KYIUKSZCASTDGQ-UHFFFAOYSA-N 217.312 2.883 0 50 BFAA in-vitro COc1ccc(C(N)c2ccc(OC)cc2)cc1 1602973 HROGQYMZWGPHIB-UHFFFAOYSA-N 243.306 2.752 0 50 BFAA in-vitro Cc1ccc(C[C@]2(O)C[C@H](C)N(C)C[C@H]2C)cc1 5600242 PPFGJYUAWQBXHF-IJEWVQPXSA-N 247.382 2.629 0 50 BFAA Cc1ccccc1NC(=O)Nc1ccon1 6725920 QTUXNMVIGDHTDP-UHFFFAOYSA-N 217.228 2.627 0 50 BFAA Cc1ccc(-c2[nH]c(=O)nc3ccccc23)cc1 11617355 LPCDEMFDWKLSBL-UHFFFAOYSA-N 236.274 2.899 0 50 BFAA FC(F)c1cccc(Br)n1 34217100 ZTBGDNNRDRISQZ-UHFFFAOYSA-N 208.005 2.782 0 50 BFAA in-vitro Oc1ccccc1NNc1ccccc1O 36373196 LCROLLMFVYHCEN-UHFFFAOYSA-N 216.240 2.537 0 50 BFAA CC(C)COc1ncccc1Br 42376411 MOAOATMDGITQHH-UHFFFAOYSA-N 230.105 2.879 0 50 BFAA Cc1[nH]nc(C(C)C)c1Br 42383946 QESRUPPMWNCTTJ-UHFFFAOYSA-N 203.083 2.604 0 50 BFAA Cc1ccc(NC(=O)NC2CCOCC2)c(C)c1 62108072 LJONGIHWNYYJRI-UHFFFAOYSA-N 248.326 2.604 0 50 BFAA C[C@@]1(Cn2ccnc2-c2ccncc2)CCCO1 82156553 KOVCADIYXLAUDH-AWEZNQCLSA-N 243.310 2.514 0 50 BFAA CC(C)CCNc1ccc([S@@](C)=O)cc1 225413707 DRBFCOCMFNIHQB-OAHLLOKOSA-N 225.357 2.882 0 50 BFAA CCc1ccc(CN2CC[C@@H]3OCCC[C@H]3C2)o1 245752229 NZIDGMQKDJBCQL-WFASDCNBSA-N 249.354 2.843 0 50 BFAA CC[C@H]1CCCCN1CC[C@H]1CCCNC1 247963562 GNOWGXOXOZXNID-KGLIPLIRSA-N 224.392 2.641 0 50 BFAA C[C@H](c1ccc(CC(=O)O)cc1)C(F)(F)F 258430211 HAEYUYHOBWCNFI-SSDOTTSWSA-N 232.201 2.980 0 50 BFAA CC(=O)c1ccc(O)c(NC(=O)CC2CCC2)c1 272713712 VWQUAFUWSJCZDG-UHFFFAOYSA-N 247.294 2.724 0 50 BFAA FC1=CCCN(CCSc2ccncc2)C1 863950519 ZPZBASKRIOVABG-UHFFFAOYSA-N 238.331 2.733 0 50 BFAA C=CC(=O)Nc1cnn([C@@H](C)c2ccccc2)c1 1338388867 CLUCXCBHKLBPCW-NSHDSACASA-N 241.294 2.617 0 50 BFAA CC(=O)c1ccc([C@@H](C)CCC(=O)O)cc1 271995 DGTNPYOULHICNW-VIFPVBQESA-N 220.268 2.858 0 50 BFAA biogenic COc1ccc(NC(=O)c2cccc(N)c2)cc1 342656 LWJRUDWWISWNHG-UHFFFAOYSA-N 242.278 2.530 0 50 BFAA in-vitro C[C@@H](CCc1ccccc1)NC(=O)C1CCC1 355193 BYTBXSLNEMXMLG-LBPRGKRZSA-N 231.339 2.924 0 50 BFAA O=C(c1csc2ccccc12)n1cccn1 371486 PMDFFILEMKLIDC-UHFFFAOYSA-N 228.276 2.786 0 50 BFAA C[C@@H](O)c1cccc(NC(=O)NC(C)(C)C)c1 398729 GVXMYJFXAWNTIL-SECBINFHSA-N 236.315 2.660 0 50 BFAA CC(C)(C)Sc1cccnc1C(=O)O 2583527 UAUIAQFRHBUKPY-UHFFFAOYSA-N 211.286 2.670 0 50 BFAA in-vitro CCCCNCC(=O)Nc1ccc(Cl)cc1 2998985 SCJAOIZHOJDSDC-UHFFFAOYSA-N 240.734 2.668 0 50 BFAA c1cc[n+](CCCCCC[n+]2ccccc2)cc1 5583130 WUAWIFPABARFIQ-UHFFFAOYSA-N 242.366 2.522 0 50 BFAA Cc1ccc(-c2csc3nc[nH]c(=O)c23)cc1 13571275 JYFIHIWXQSVJIL-UHFFFAOYSA-N 242.303 2.960 0 50 BFAA COCCCNCc1ccc(SC)cc1 13718246 UNIXIJGBRPLSDE-UHFFFAOYSA-N 225.357 2.535 0 50 BFAA CC(C)(C)c1cc(N)n(Cc2ccccc2)n1 15589961 HOUXXJHKQHEAJO-UHFFFAOYSA-N 229.327 2.811 0 50 BFAA in-vitro O=C1Nc2ccccc2O[C@@H]1c1ccccc1 19046328 OGXCANIFSVBLQV-CYBMUJFWSA-N 225.247 2.759 0 50 BFAA CC1(C)C[C@@]1(C(=O)O)c1ccccc1F 19088846 AISGDNPYRXZDBS-LBPRGKRZSA-N 208.232 2.578 0 50 BFAA in-vitro CCCCNC(=O)[C@@H](C)Oc1cccc(C)c1 47464433 NGHSBNQFRBFELQ-GFCCVEGCSA-N 235.327 2.679 0 50 BFAA O[C@@H]1O[C@@H](c2ccccc2)c2ccccc21 71773899 XAXUZULEMMAVME-UONOGXRCSA-N 212.248 2.797 0 50 BFAA O=Cc1ccc(Cc2nccs2)cc1 86828067 JQTAHILNZIGFFZ-UHFFFAOYSA-N 203.266 2.546 0 50 BFAA O=C(O)C1CCC(OCc2ccccc2)CC1 96028781 CIHKUOPEMAFMJE-UHFFFAOYSA-N 234.295 2.847 0 50 BFAA Brc1cnc2[nH]nc(C3CC3)c2c1 98181743 WWTYPLGVUWUJSU-UHFFFAOYSA-N 238.088 2.598 0 50 BFAA Cc1cnc(-c2ccc3c(c2)CCC3=O)nc1 118910136 ABKURTAHPJAFHS-UHFFFAOYSA-N 224.263 2.581 0 50 BFAA CC1(C)C[C@@H]1C(=O)NCc1cc2ccccc2[nH]1 119511369 BQGQILIVNCOVAQ-GFCCVEGCSA-N 242.322 2.830 0 50 BFAA CCOc1cc(Br)ccc1[C@H](C)N 132043559 XZNJRPVDYMSAKP-ZETCQYMHSA-N 244.132 2.868 0 50 BFAA C=CC(=O)N1CCCC[C@H]1c1ccccc1 142377172 KAXFYNCRAWYANC-ZDUSSCGKSA-N 215.296 2.926 0 50 BFAA COC(=O)c1ccc2scc(C=O)c2c1 149015414 SXNIZWJNOZKDST-UHFFFAOYSA-N 220.249 2.500 0 50 BFAA CC(C)[C@H](NC[C@@H]1CCCC(C)(C)C1)C(=O)O 170090850 RVGLVGIPCAZXPC-NEPJUHHUSA-N 241.375 2.902 0 50 BFAA CSCCCn1ccc2ccccc2c1=O 174097802 HITFADASPUZPCE-UHFFFAOYSA-N 233.336 2.755 0 50 BFAA CCC[C@@]1(COC)CCCN1C(=O)[C@H](C)CC 192763619 KVYCLFDSVSEADU-OCCSQVGLSA-N 241.375 2.840 0 50 BFAA Cc1ncccc1-c1ccc(C(=O)O)s1 307520451 QLOWEOJWKYOWSH-UHFFFAOYSA-N 219.265 2.817 0 50 BFAA CC(C)c1noc(N2[C@H]3CCC[C@H]2CC3)n1 336328418 VYTLYDMNFKQADG-UWVGGRQHSA-N 221.304 2.714 0 50 BFAA CC1(C)C[C@@H]1C(=O)Nc1ccc2cc[nH]c2n1 456948444 GWDBMHJDORORMS-SECBINFHSA-N 229.283 2.548 0 50 BFAA CCN(CC)C[C@H](C)C(=O)Nc1ccc(C)cc1 670421063 GDZXPKYCZJUIFH-ZDUSSCGKSA-N 248.370 2.911 0 50 BFAA C[C@@H](CN(C)Cc1ccc2occc2c1)C(=O)O 901598687 PFTMMPDIUQTNMR-JTQLQIEISA-N 247.294 2.585 0 50 BFAA NNc1ncnc2sc3c(c12)CCCCCC3 1582935366 XZDVBEHIIWOKGH-UHFFFAOYSA-N 248.355 2.636 0 50 BFAA C=CC(=O)N[C@H]1CCCCCCC1(F)F 1875367790 NDPRQAWANCZNHG-VIFPVBQESA-N 217.259 2.647 0 50 BFAA C[C@@H](NC(=O)c1cccc(N)c1)c1ccccc1 41954 ZNBFXLWERBRCIT-LLVKDONJSA-N 240.306 2.760 0 50 BFAA C/C=C/c1cc(OC)c(OC)cc1OC 56550 RKFAZBXYICVSKP-AATRIKPKSA-N 208.257 2.746 0 50 BFAA endogenous,in-man Nc1ccnc2cc(Br)ccc12 1438954 CDROXEYPGVJRGK-UHFFFAOYSA-N 223.073 2.580 0 50 BFAA in-vitro C/C=C(\C)C(=O)OCCc1ccccc1 1695484 KVMWYGAYARXPOL-QDEBKDIKSA-N 204.269 2.739 0 50 BFAA O=C(NCCc1ccccc1)c1ccccc1 1747104 DAVRGGJTJDTVQT-UHFFFAOYSA-N 225.291 2.659 0 50 BFAA biogenic,in-vitro COc1ccc(C=O)cc1COCC(F)(F)F 2573206 SNPAURZFFYMZOM-UHFFFAOYSA-N 248.200 2.587 0 50 BFAA CCOCCCNCc1sccc1C 2872148 VFNARCIGVMUBDR-UHFFFAOYSA-N 213.346 2.573 0 50 BFAA Cc1ccc([C@H](O)Cn2nc(C)cc2C)cc1 5416180 WRDRQGLYQLIQST-CQSZACIVSA-N 230.311 2.542 0 50 BFAA O=C(Nc1ccc2[nH]ncc2c1)c1ccccc1 5695132 ABOFPYLENBBLEJ-UHFFFAOYSA-N 237.262 2.815 0 50 BFAA COc1cccc2cc3c(c(O)c12)[C@@H](C)OC3=O 6031911 KNLHGXVYZRQSJZ-SSDOTTSWSA-N 244.246 2.785 0 50 BFAA biogenic,in-vitro O=c1[nH]c2ccccc2n1C1CCCCC1 8686170 KQPGCWWXPPKEOL-UHFFFAOYSA-N 216.284 2.835 0 50 BFAA CC(C)c1c(C(=O)O)cnn1-c1ccccc1 8699880 MQUOHNQYSXJILW-UHFFFAOYSA-N 230.267 2.694 0 50 BFAA in-vitro O=C(Cn1ccc2cc(Cl)ccc21)NC1CC1 32072152 LCDSMZNTQMRIEN-UHFFFAOYSA-N 248.713 2.573 0 50 BFAA Cc1ccccc1-c1nc(C(=O)O)cs1 34613494 XXUMWTWIZGPWAY-UHFFFAOYSA-N 219.265 2.817 0 50 BFAA in-vitro Cc1[nH]c2ccc(O)cc2c1C(=O)OC(C)C 40165593 AJWSCYJIOFQSEJ-UHFFFAOYSA-N 233.267 2.747 0 50 BFAA COCCC1CCN(C(=O)OC(C)(C)C)CC1 40442682 MQFWLBMPVPCNRM-UHFFFAOYSA-N 243.347 2.670 0 50 BFAA O=C(CCc1ccc(F)cc1)NCc1ccco1 60866073 ZVJRDHREAUTFEX-UHFFFAOYSA-N 247.269 2.668 0 50 BFAA O=Cc1ccc(F)c(Br)c1F 75914829 KNUJOBHCYUUMBV-UHFFFAOYSA-N 221.000 2.540 0 50 BFAA in-vitro COC(=O)c1cc(Cl)c(C)cc1F 93097474 MNZDRSFZCLRWLN-UHFFFAOYSA-N 202.612 2.574 0 50 BFAA in-vitro CCC[C@H](C)c1nc2cc3[nH]c(=O)[nH]c3cc2[nH]1 97637966 LJMZYRCLAHNZLM-ZETCQYMHSA-N 244.298 2.636 0 50 BFAA CCc1ccc(C2CC(=O)CC(=O)C2)cc1 100152828 UWYXYUUAKSBXRP-UHFFFAOYSA-N 216.280 2.655 0 50 BFAA CC[C@H](C)n1cnc2c(C)cc(C)cc2c1=O 199303448 LUOWYPXFIORFRJ-NSHDSACASA-N 230.311 2.984 0 50 BFAA C[C@@]1(CO)CCCN([C@@H]2CCc3ccccc32)C1 225457509 WVFANUHZCMOXBC-HZPDHXFCSA-N 245.366 2.768 0 50 BFAA CN1CCO[C@]12CCCC[C@H]2Oc1ccccc1 257356477 IHEOZRCZMDIADV-CABCVRRESA-N 247.338 2.666 0 50 BFAA Fc1ccccc1Cc1nc(C2CC2)no1 264621283 QRKQWPMCMJNDBR-UHFFFAOYSA-N 218.231 2.677 0 50 BFAA C[C@@H]1c2ccsc2CCN1C(=O)[C@@H]1CC12CC2 334999763 MEJZCECMFAPTOU-KOLCDFICSA-N 247.363 2.994 0 50 BFAA Cc1cc(CNc2cccc(F)c2)on1 335568479 QPSCPWKJHKTZSH-UHFFFAOYSA-N 206.220 2.734 0 50 BFAA O=C(Nc1c(F)cccc1F)C1=CCC1 335778735 RIEOZDCPFVTQMM-UHFFFAOYSA-N 209.195 2.624 0 50 BFAA CCOc1ncccc1-c1ccnn1C(C)C 426649438 BQYZDMOXLPXYRT-UHFFFAOYSA-N 231.299 2.925 0 50 BFAA Fc1ccc2ncnc(N[C@H]3[C@H]4CCC[C@H]43)c2c1 486468925 NMPHUPQYEATINN-DDFAGTSDSA-N 243.285 2.979 0 50 BFAA C=CC(=O)Nc1ccccc1CN1CCCCC1 1776007003 GIEPISSGJGATGI-UHFFFAOYSA-N 244.338 2.797 0 50 BFAA CC(=O)SC[C@@H](C)C(=O)Nc1ccccc1 281160 POOHUDYDBYYUQO-SECBINFHSA-N 237.324 2.541 0 50 BFAA O[C@@H](c1ccc(Cl)cc1)c1ccccn1 394076 ZFUPOFQRQNJDNS-LBPRGKRZSA-N 219.671 2.817 0 50 BFAA in-vitro O=C(/C=C/c1cccs1)N1CCCCC1 473453 ZGYJRCNUWVKODW-VOTSOKGWSA-N 221.325 2.774 0 50 BFAA OCCCCCCCCCCCCO 1574339 GHLKSLMMWAKNBM-UHFFFAOYSA-N 202.338 2.872 0 50 BFAA biogenic,in-vitro CCCCN[C@@H](C)[C@H]1COc2ccccc2O1 1823186 XFPBCCYIVGJTOP-SMDDNHRTSA-N 235.327 2.605 0 50 BFAA biogenic CCn1c(C)c(C)c2cc(C(=O)O)ccc21 2389259 JBWZIRYKBWGONS-UHFFFAOYSA-N 217.268 2.976 0 50 BFAA in-vitro Cc1cc(C)n(C(=O)[C@@]2(C)CC2(Cl)Cl)n1 2761056 KSXNBYSDAUELKO-SECBINFHSA-N 247.125 2.724 0 50 BFAA COc1cccc(NC(=O)c2ccccc2N)c1 3326552 SWPJJIVWFKEGKP-UHFFFAOYSA-N 242.278 2.530 0 50 BFAA CN(Cc1cccnc1)C1CCCCC1 4980871 TUTAPUWLOSLWAM-UHFFFAOYSA-N 204.317 2.846 0 50 BFAA Cc1noc(C)c1C(=O)NC1CCCCCC1 8133506 VCUSQBOLARBLBC-UHFFFAOYSA-N 236.315 2.744 0 50 BFAA O=C(NC1CC1)c1ccccc1C(F)(F)F 16651129 QEJAFRWYMVYFDM-UHFFFAOYSA-N 229.201 2.598 0 50 BFAA Cc1cc(Br)cc(C=O)c1F 65337170 JKHVNWUVFDFSAZ-UHFFFAOYSA-N 217.037 2.709 0 50 BFAA in-vitro CCc1ccccc1NC(=O)CCN[C@@H](C)CC 65526204 MXYXLPXEAIIAMJ-LBPRGKRZSA-N 248.370 2.966 0 50 BFAA COC(=O)c1cc(-c2ccccc2)ccn1 71255663 YXRDMGUQHSRTEQ-UHFFFAOYSA-N 213.236 2.535 0 50 BFAA CNC(=O)Oc1ccc(Cl)c(C)c1C 71774163 UITRMWMRYAXFJJ-UHFFFAOYSA-N 213.664 2.675 0 50 BFAA c1ccc(Cc2noc(C3CCOCC3)n2)cc1 109490142 YRRQTUMUHGGZMY-UHFFFAOYSA-N 244.294 2.554 0 50 BFAA O=Cc1cc(F)ccc1OCCC(F)(F)F 131671602 DSFWUMOTIOYKJJ-UHFFFAOYSA-N 236.164 2.969 0 50 BFAA Cc1c(Br)ccc(O)c1F 141232137 RWLJENRVVKIEMC-UHFFFAOYSA-N 205.026 2.602 0 50 BFAA Cc1cc(F)cc(C2(F)CCNCC2)c1 163278142 NMSDTELWFXWROE-UHFFFAOYSA-N 211.255 2.682 0 50 BFAA C=CC(=O)N[C@H]1C[C@@H](C)CC[C@@H]1C(C)C 217750267 MIOCYLLJHSUZQN-TUAOUCFPSA-N 209.333 2.749 0 50 BFAA Cc1ccnc(-c2noc(C(C)(C)F)n2)c1 273716541 ISBQNYNZHRSGGX-UHFFFAOYSA-N 221.235 2.645 0 50 BFAA Clc1ccsc1CN[C@@H]1CCSC1 278307622 CSDYSNSQWMLGLD-SSDOTTSWSA-N 233.789 2.997 0 50 BFAA FC(F)(F)c1cc(NC[C@@H]2CCCO2)ccn1 302407873 IDHWCLKVSQCZSD-VIFPVBQESA-N 246.232 2.691 0 50 BFAA Cc1ccc2c(c1)[C@@H]1OCC[C@H]1[C@@H](CCCO)N2 601008693 SDLWMEYMPKDXIK-NJZAAPMLSA-N 247.338 2.639 0 50 BFAA CC(C)NC[C@@H](O)c1cccc2c1CCCC2 670419536 OOAHUQPBQRIALA-OAHLLOKOSA-N 233.355 2.597 0 50 BFAA Cc1cc2c[nH]nc2cc1[C@H]1NCCC[C@@H]1C 757213891 RKPQHVLPUVLCTO-XPTSAGLGSA-N 229.327 2.932 0 50 BFAA C=CC(=O)N(CCC)[C@H]1CCc2ccccc2C1 1120462381 SLNPZRYLUWAESG-HNNXBMFYSA-N 243.350 2.969 0 50 BFAA Cc1ccc2[nH]cc(-c3cncc(N)n3)c2c1 2100477626 CXFUKAUGRPDKLV-UHFFFAOYSA-N 224.267 2.516 0 50 BFAA CNCc1cccc(-c2cc3cccnc3[nH]2)c1 2325872246 ORBPVMDUACVFBN-UHFFFAOYSA-N 237.306 2.949 0 50 BFAA CCCN1CCC(NCCc2ccccc2)CC1 182019 QVEDCDPYUOMVNS-UHFFFAOYSA-N 246.398 2.693 0 50 BFAA CC(C)=CCC[C@@H](C)CN1CCC(O)CC1 279285 BTYHNTIOIKYUEK-CYBMUJFWSA-N 225.376 2.826 0 50 BFAA COc1ccccc1NC(=O)C1CCCC1 373837 BQRKZXVNSVLWDQ-UHFFFAOYSA-N 219.284 2.824 0 50 BFAA Cc1cccc(C)c1NC(=O)NC(C)C 396922 HVAWBRCHWCBVOL-UHFFFAOYSA-N 206.289 2.833 0 50 BFAA C[C@H]1CC[C@@H](N(C)CCc2ccccn2)C1 507403 YKOLEEBTTJYMEP-GXTWGEPZSA-N 218.344 2.745 0 50 BFAA CCOc1cc(Cl)c(C=O)cc1OC 2776342 YKZACVGMUVDWEA-UHFFFAOYSA-N 214.648 2.560 0 50 BFAA in-vitro Cc1c(NC(=O)c2ccco2)cccc1C(=O)O 4512108 ZZGXXSKNYDABQQ-UHFFFAOYSA-N 245.234 2.539 0 50 BFAA CC[C@@H](C)Oc1ccc(C=O)cc1OC 5655300 HLWKDCMKTGMQNT-SECBINFHSA-N 208.257 2.685 0 50 BFAA in-vitro Cc1cc(C)c2c(c1)[C@@H](O)CC(C)(C)O2 5724788 BBHBEYHXGFQONF-NSHDSACASA-N 206.285 2.898 0 50 BFAA Cc1c[nH]c(CN(C)CC[C@@H]2C[C@@H]3C=C[C@H]2C3)n1 19731683 VPJMREPCFATTSL-HZSPNIEDSA-N 245.370 2.752 0 50 BFAA Clc1ccnc(Cc2ccccc2)n1 36882178 RGYMOJIISPSRGZ-UHFFFAOYSA-N 204.660 2.721 0 50 BFAA in-vitro Cc1ncsc1CCN(C)Cc1ccccn1 65462577 ZLHKAVXKRVSMJG-UHFFFAOYSA-N 247.367 2.521 0 50 BFAA Cn1ccc(NC/C=C/c2ccccc2)n1 86780424 FZZTWQQTYRFGGU-VMPITWQZSA-N 213.284 2.545 0 50 BFAA O=C1CCOc2cc(F)c(Br)cc21 116943496 HFZTWXBKOKADOI-UHFFFAOYSA-N 245.047 2.553 0 50 BFAA COC(=O)CCCSc1ccoc1C 131285783 NBNXTEPBYMWONM-UHFFFAOYSA-N 214.286 2.633 0 50 BFAA Cc1cc(O)ccc1NC(=O)Nc1cccnc1 170604035 YRANPQFQKOHFIQ-UHFFFAOYSA-N 243.266 2.740 0 50 BFAA CCn1ncc(CN(C)C[C@@H]2CC=CCC2)c1C 426527921 OJCULMOTMQYOTK-CQSZACIVSA-N 247.386 3.000 0 50 BFAA CCc1[nH]nc2c1CN(C[C@H]1CC=CCC1)CC2 670459207 QBOVDJHSQGBPKS-LBPRGKRZSA-N 245.370 2.687 0 50 BFAA C[C@@H]1CCC(=O)C[C@H]1N1CCCCCC1 725363023 XYTMNSGSLKSQCC-DGCLKSJQSA-N 209.333 2.620 0 50 BFAA C=CC(=O)N1C[C@@H](c2ccsc2)C[C@@H]1C 952834759 LECGJEFCAQCBFY-ONGXEEELSA-N 221.325 2.639 0 50 BFAA Cc1ccncc1NC(=O)C[C@@H]1C[C@H]2C[C@H]2C1 1875290664 WEHZCBNACMTKKE-ZSBIGDGJSA-N 230.311 2.765 0 50 BFAA Cc1nc2ccccc2n1CCN1CCCCC1 183744 QCVNIPBRUFFPEG-UHFFFAOYSA-N 243.354 2.831 0 50 BFAA O=C(Nc1ccccn1)c1cccc(Cl)c1 349304 AKAYBXSRQYUJHF-UHFFFAOYSA-N 232.670 2.987 0 50 BFAA Cc1cccc(NC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 396895 RDJGBTQABHBLSE-RYUDHWBXSA-N 248.326 2.636 0 50 BFAA CN1CCC(N(C)CCCc2ccccc2)CC1 753468 FPGFVAJUCDKUTM-UHFFFAOYSA-N 246.398 2.645 0 50 BFAA C[C@@H](CCN1CCC[C@H](CO)C1)c1ccccc1 761369 UZWDCTRSDGYWLJ-GJZGRUSLSA-N 247.382 2.885 0 50 BFAA CC(C)(C)OC(=O)n1cc(CO)c2ccccc21 2563741 OOVPQKQFSDFRFA-UHFFFAOYSA-N 247.294 2.917 0 50 BFAA in-vitro O=C(NCCCc1ccccc1)C1CCCC1 2773835 QYUGRQWRLMEGFF-UHFFFAOYSA-N 231.339 2.926 0 50 BFAA Nc1cc(Cl)ccc1-c1ccc(CO)o1 4298858 WWEFPTZLWFVHCY-UHFFFAOYSA-N 223.659 2.675 0 50 BFAA CCN(CC)CCOc1cccc(C(C)=O)c1 4539209 GBWNBTWPHBYGDL-UHFFFAOYSA-N 235.327 2.610 0 50 BFAA O=CO[C@@H](C(=O)c1ccccc1)c1ccccc1 6864496 HURLSXQWWGXAIY-OAHLLOKOSA-N 240.258 2.784 0 50 BFAA CCc1noc(C)c1C(=O)Nc1cccc(F)c1 7940313 ACDZFPQCRXEAIZ-UHFFFAOYSA-N 248.257 2.937 0 50 BFAA Cc1ccc(NC(=S)NCC(C)C)cc1 8684853 ZRTIOBIGYIOQDA-UHFFFAOYSA-N 222.357 2.937 0 50 BFAA CCn1ncc2[nH]c([C@@H]3CC=CCC3)nc21 20455531 NVOPKYOZEDPKMN-SECBINFHSA-N 216.288 2.603 0 50 BFAA Cc1cc(C(=O)O)c(Br)s1 30678000 DZMYKWBJZZTINV-UHFFFAOYSA-N 221.075 2.517 0 50 BFAA in-vitro CCc1ccc(Br)cc1C=O 51943804 UMGJVMRBOMDAMJ-UHFFFAOYSA-N 213.074 2.824 0 50 BFAA O=Cc1cc(Br)cc2cccnc12 68590188 XKOZNHYLDOTMKW-UHFFFAOYSA-N 236.068 2.810 0 50 BFAA CCCNC(=O)Cc1ccc(Cl)cc1F 72117266 XPHZEEOLQPDMPF-UHFFFAOYSA-N 229.682 2.548 0 50 BFAA Cc1cc(C)c(-c2cncc(N)n2)c(C)c1 123196728 WOYIGZANRGZBJN-UHFFFAOYSA-N 213.284 2.651 0 50 BFAA Cc1[nH]c(=O)c2ccccc2c1Br 167484937 BRTYLKAHWKHBBI-UHFFFAOYSA-N 238.084 2.599 0 50 BFAA C[C@H]1CCC[C@H](NCc2c(Cl)cnn2C)C1 194621325 KTIISIGUYLKCRX-UWVGGRQHSA-N 241.766 2.742 0 50 BFAA O=c1[nH]ccc2ccc(-c3ccncc3)cc12 230568143 RFLWKIUUHREFSC-UHFFFAOYSA-N 222.247 2.590 0 50 BFAA Cc1nc(CNc2cncc(F)c2)cs1 300900716 NOMYDQYYGHXXCI-UHFFFAOYSA-N 223.276 2.598 0 50 BFAA Cc1coc(C)c1C(=O)N[C@H]1CC[C@H](F)C1 335343088 ZGKODAJSDMIPAZ-UWVGGRQHSA-N 225.263 2.517 0 50 BFAA CN1CCCC[C@@H]1Cn1ccnc1-c1ccco1 1875247483 WZWYIBGUPUQFDA-GFCCVEGCSA-N 245.326 2.627 0 50 BFAA Cn1nnc2cccc(/C=C/c3nccs3)c21 1875341480 UVQQOAGONAKVQA-AATRIKPKSA-N 242.307 2.595 0 50 BFAA NC(=S)c1ccc(Cl)cc1Cl 121126 WDNBLWURITYPQL-UHFFFAOYSA-N 206.097 2.628 0 50 BFAA in-vitro O=C(O)CSC(=O)Sc1ccccc1 331605 XZXXMODJMYTOOK-UHFFFAOYSA-N 228.294 2.717 0 50 BFAA Cc1nc2ccccc2nc1N1CCCC1 434844 IDVIVWNKKBNROO-UHFFFAOYSA-N 213.284 2.538 0 50 BFAA in-vitro CCOC(=O)[C@H](Cc1ccccc1)n1cccc1 1422313 LQEKDQAYDWEVSS-AWEZNQCLSA-N 243.306 2.835 0 50 BFAA N[C@H](c1ccncc1)c1ccc(Cl)cc1 4478360 YCSMATSKHPALAR-LBPRGKRZSA-N 218.687 2.783 0 50 BFAA in-vitro O=C(O)c1cncc(-c2ccc(F)cc2)c1 12955792 KISDAKHYANOMTN-UHFFFAOYSA-N 217.199 2.586 0 50 BFAA in-vitro Cc1cc(Cl)nc(-c2ccccc2O)n1 13123223 SSJTVFAVNGBQDX-UHFFFAOYSA-N 220.659 2.811 0 50 BFAA Cc1ccccc1-c1ncc(C=O)s1 19088541 FKAXXEIMWMHQQP-UHFFFAOYSA-N 203.266 2.931 0 50 BFAA in-vitro CCCOc1ccc(CNC2CC2)cc1 20082953 TYQZSIWPPIZJPF-UHFFFAOYSA-N 205.301 2.727 0 50 BFAA CCOC(=O)c1ccc(Cl)nc1Cl 26896741 KKYBVLDQTWQETN-UHFFFAOYSA-N 220.055 2.565 0 50 BFAA in-vitro CCOC(=O)c1ccc2c(c1)ncn2C(C)(C)C 95496134 IIZOIHTVWWHOFG-UHFFFAOYSA-N 246.310 2.968 0 50 BFAA COc1cc(C)c2ncnc(Cl)c2c1 160103592 XJQLORZLZJKNRH-UHFFFAOYSA-N 208.648 2.600 0 50 BFAA CCc1n[nH]c(C)c1-c1ccc2c(c1)OCCO2 534647260 KTALOLXFKWVLHF-UHFFFAOYSA-N 244.294 2.719 0 50 BFAA Cc1cc2c[nH]nc2cc1[C@@H]1CCNC[C@@H]1C 757211053 JAHLFVMIPVPWFH-CMPLNLGQSA-N 229.327 2.584 0 50 BFAA Cc1cc(F)c(F)c(C(=O)N2CCCC2)c1 36247 AFWHZQOVDRSQRZ-UHFFFAOYSA-N 225.238 2.509 0 50 BFAA O=S1c2ccccc2Oc2ccccc21 59761 ZESLIAUQVGLCIA-UHFFFAOYSA-N 216.261 2.959 0 50 BFAA CCC(=O)Nc1ccc(F)c(Cl)c1 78765 GFJKYZZAILHFPK-UHFFFAOYSA-N 201.628 2.828 0 50 BFAA Oc1ccc(CCc2cc(O)cc(O)c2)cc1 899123 HITJFUSPLYBJPE-UHFFFAOYSA-N 230.263 2.589 0 50 BFAA biogenic,in-vivo CCCc1cc(C(=O)NC2CC2)cs1 1052129 KYSOHYBTFLPVAL-UHFFFAOYSA-N 209.314 2.593 0 50 BFAA Cc1cc(C(=O)N2CCCc3ccccc32)no1 2497924 MAGLJLLEEMOXLK-UHFFFAOYSA-N 242.278 2.576 0 50 BFAA O=CO[C@H](C(=O)c1ccccc1)c1ccccc1 2519693 HURLSXQWWGXAIY-HNNXBMFYSA-N 240.258 2.784 0 50 BFAA COC(=O)c1ccc(-c2ccc(C=O)cc2)cc1 2525669 URINKTWOCVLGGR-UHFFFAOYSA-N 240.258 2.953 0 50 BFAA NCc1ccc(C(F)(F)F)c(Cl)c1 2540215 GRCRXCBPWHSEOI-UHFFFAOYSA-N 209.598 2.818 0 50 BFAA Nc1cc(C(F)(F)F)cc(N)c1Cl 2565747 YCWXOQCYLKOSKL-UHFFFAOYSA-N 210.586 2.523 0 50 BFAA Cc1ccc(NC(=O)Nc2ccon2)cc1 2631260 YZONZISUBDEPQY-UHFFFAOYSA-N 217.228 2.627 0 50 BFAA CC(C)CC(=O)N1CCc2ccccc2C1 4725620 VGWITQDBYCSWJP-UHFFFAOYSA-N 217.312 2.617 0 50 BFAA CCN(CC)C(=S)Nc1ccccc1 5649608 XIBHMHZQNXDDJY-UHFFFAOYSA-N 208.330 2.725 0 50 BFAA Nc1cccc(C(=O)Nc2ccc(F)cc2)c1 7468648 UQDXYYVYLAFUPG-UHFFFAOYSA-N 230.242 2.660 0 50 BFAA in-vitro CC(=O)c1cnn(-c2cccc(Cl)c2)c1 13331538 ZSSJNSCNNBHHQV-UHFFFAOYSA-N 220.659 2.728 0 50 BFAA in-vitro c1ccc(COCCCc2cnc[nH]2)cc1 13813304 WNWALBVQAAIULR-UHFFFAOYSA-N 216.284 2.559 0 50 BFAA in-vitro COc1cccc(-c2ccccc2C(N)=O)c1F 32541261 LYKRILIGJOBUGK-UHFFFAOYSA-N 245.253 2.600 0 50 BFAA Cc1cc(C)n(-c2ncccc2Cl)n1 38537441 FGOQNKQVWGUEGZ-UHFFFAOYSA-N 207.664 2.538 0 50 BFAA in-vitro Brc1cccnc1OCC1CC1 42376444 RAPPABSFXUIOHQ-UHFFFAOYSA-N 228.089 2.633 0 50 BFAA in-vitro O=S1(=O)C[C@@]23CC=CC[C@@]2(CCCCC3)C1 45027799 CPKLIMBAKYFUMJ-BETUJISGSA-N 240.368 2.702 0 50 BFAA CN(C)Cc1cc(Br)ccc1F 63741866 OFNKBUVZONIVCL-UHFFFAOYSA-N 232.096 2.650 0 50 BFAA Fc1ccccc1CCCNc1ncccn1 91663582 ZZVWYPYMFAEWPI-UHFFFAOYSA-N 231.274 2.660 0 50 BFAA CC[C@@H](C(=O)c1ccc(C)cc1)N(C)C 95705015 UKVFBTRCNFUOFU-LBPRGKRZSA-N 205.301 2.518 0 50 BFAA in-vitro C[C@@H]1CCC[C@@H](NCc2c(Cl)cnn2C)C1 194621340 KTIISIGUYLKCRX-NXEZZACHSA-N 241.766 2.742 0 50 BFAA CCCCc1onc(-c2ccc[nH]2)c1C(=O)O 675058105 VZDAFPGFYYVSEU-UHFFFAOYSA-N 234.255 2.711 0 50 BFAA CC[C@H](O)c1nccn1CC=C(Cl)Cl 844236509 JSWOCROBVRGRCY-ZETCQYMHSA-N 235.114 2.646 0 50 BFAA C=CC(=O)N[C@@H](C)c1cn(C)c2ccc(C)cc12 1775997136 ALTHQSPSTKKKGS-NSHDSACASA-N 242.322 2.850 0 50 BFAA CC(=O)N1CC[C@@H](c2ccc(F)c(F)c2)[C@@H]1C 1875288910 KXMOKDLALOFVOV-GZMMTYOYSA-N 239.265 2.689 0 50 BFAA Fc1cc(F)cc(-c2cnc3ncccn23)c1 1875290205 GEVZPHRLIOUGOV-UHFFFAOYSA-N 231.205 2.675 0 50 BFAA COc1ccc2nc(Cl)c(Cl)nc2c1 50684 NFJQDGNCJJPQNV-UHFFFAOYSA-N 229.066 2.945 0 50 BFAA in-vitro O=C(O)Cc1ccccc1OCc1ccccc1 156109 VFYKRBZHJFJOGQ-UHFFFAOYSA-N 242.274 2.893 0 50 BFAA CN(CCc1ccccn1)Cc1ccsc1 210501 AAVQIIABGQQNCP-UHFFFAOYSA-N 232.352 2.818 0 50 BFAA Nc1cc(C(=O)O)ccc1NCc1ccccc1 235945 IJSBQZWOISSWQM-UHFFFAOYSA-N 242.278 2.579 0 50 BFAA Nc1cc(C(=O)O)ccc1Nc1ccccc1 259285 SOSRJZNYVRVFOH-UHFFFAOYSA-N 228.251 2.711 0 50 BFAA in-vitro CC[C@@]1(C)N(O)C(C)(C)C(c2ccccc2)=[N+]1[O-] 269095 FPNUOBRVESXQMM-CQSZACIVSA-N 248.326 2.596 0 50 BFAA CSc1ncc(Br)c(Cl)n1 394674 XVRYJQACDDVZEI-UHFFFAOYSA-N 239.525 2.614 0 50 BFAA in-vitro O=CN1Cc2ccccc2-c2ccccc2C1 438735 LSPRUQXPQKPRDQ-UHFFFAOYSA-N 223.275 2.826 0 50 BFAA COc1ccc(C(=O)NCC(C)C)cc1Cl 1074211 PUVWTLXTKYUSEB-UHFFFAOYSA-N 241.718 2.734 0 50 BFAA Cc1ccc(NC(=S)N(C)C)cc1C 6488059 WFIGMVFPEZTTAO-UHFFFAOYSA-N 208.330 2.562 0 50 BFAA O=C(O)c1ccc(COc2ccccc2F)o1 8380405 BKCYPRWSYNQSTF-UHFFFAOYSA-N 236.198 2.696 0 50 BFAA CCOC(=O)c1oc2cccc(OC)c2c1C 8383162 XXTYIQLNYBGSED-UHFFFAOYSA-N 234.251 2.927 0 50 BFAA O=C(O)C(F)(F)c1ccccc1Cl 38537390 KKGDBVUFFAFBFG-UHFFFAOYSA-N 206.575 2.516 0 50 BFAA in-vitro O=C(O)Cc1ccc(C(F)(F)F)cc1Cl 38853329 JLULPIXGVZSEES-UHFFFAOYSA-N 238.592 2.986 0 50 BFAA O=Cc1cccc2c1cnn2[C@H]1CCCCO1 88267302 WHYXQPGHZDUOAZ-CYBMUJFWSA-N 230.267 2.548 0 50 BFAA O=C(O)c1ccc2oc(C3(O)CCCC3)cc2c1 114957744 IDLZGUBBOIJNEM-UHFFFAOYSA-N 246.262 2.893 0 50 BFAA NCc1cc(Cl)cc(OC(F)(F)F)c1 166972172 FJFKILFAYAGLCJ-UHFFFAOYSA-N 225.597 2.697 0 50 BFAA CON(C)C(=O)Cc1cccc(Cl)c1Cl 193748535 UUEUQSORYFWVNJ-UHFFFAOYSA-N 248.109 2.556 0 50 BFAA C[C@H]1Cc2cc(Br)ccc2[C@H]1N 215075655 ZQLAOTFDLUKLFM-WKEGUHRASA-N 226.117 2.641 0 50 BFAA CC(C)n1cncc1-c1ccc(C=O)cc1 221650484 GZWKZQZYMXZJKN-UHFFFAOYSA-N 214.268 2.944 0 50 BFAA C[C@@H]1[C@@H](NC(=O)NCC2CC2)CCC[C@H]1C 225442977 DJSSVJKLIDNHMN-SCVCMEIPSA-N 224.348 2.520 0 50 BFAA COC(OC)c1ccc(Br)c(F)c1 228971482 GQDGRHVADZRANV-UHFFFAOYSA-N 249.079 2.880 0 50 BFAA O=Cc1cc(F)ccc1-c1ccncc1F 236169107 TXFGALCCKGGLAP-UHFFFAOYSA-N 219.190 2.839 0 50 BFAA C[C@@H]1CC(C)(C)C[C@@H]1NC[C@H]1CC[C@@H](O)C1 248884284 UARBQQOSYIAMLY-XQHKEYJVSA-N 225.376 2.562 0 50 BFAA O=C(O)c1nc2ccccc2n1CC1CCC1 255189042 NISVRDLFINKWKX-UHFFFAOYSA-N 230.267 2.535 0 50 BFAA C[C@]1(F)CCCN(C(=O)c2cccs2)C1 295621503 RFEOJZLGOAGTPU-NSHDSACASA-N 227.304 2.712 0 50 BFAA CCO[C@H]1CCCN(c2ncccc2Cl)C1 301584598 VNMFRSDYDXAXIT-JTQLQIEISA-N 240.734 2.740 0 50 BFAA Cc1cc2c[nH]nc2cc1[C@H]1CCCN[C@@H]1C 757213581 PSJDAXJHOMTOHN-PWSUYJOCSA-N 229.327 2.727 0 50 BFAA CCCC(=O)Nc1nc2ccc(Cl)cc2[nH]1 874693069 ONYLWDKPGHJNRM-UHFFFAOYSA-N 237.690 2.955 0 50 BFAA COc1ccc(C(=O)O)nc1-c1cccc(C)c1 1506419607 TWTMOBMGVVPODE-UHFFFAOYSA-N 243.262 2.764 0 50 BFAA c1cc(-c2nccn2[C@@H]2CCSC2)ccn1 1875251524 RBCBPGQKERZCQT-LLVKDONJSA-N 231.324 2.623 0 50 BFAA C=CC(=O)N[C@H](C)c1cccc2cccnc12 1875368294 HRPGESDHPQGJSJ-SNVBAGLBSA-N 226.279 2.598 0 50 BFAA CCNC(=O)c1ccc(Cl)cc1Cl 29155 HGHGYRAEXXRLJV-UHFFFAOYSA-N 218.083 2.743 0 50 BFAA Nc1ccccc1Nc1nc2ccccc2[nH]1 33917 ZZDGNBWCSPZNRU-UHFFFAOYSA-N 224.267 2.889 0 50 BFAA Cc1c(C=O)c(C=O)c(C)n1-c1ccccc1 41328 YAJAIRFZIPHSNA-UHFFFAOYSA-N 227.263 2.719 0 50 BFAA in-vitro CCOC(=O)Cc1ccccc1Br 162137 MZQXAVZPEZUJIJ-UHFFFAOYSA-N 243.100 2.555 0 50 BFAA in-vitro Cc1ccc(C(=O)NC2CCCC2)cc1C 288405 TZKDCZPJDFYGHS-UHFFFAOYSA-N 217.312 2.976 0 50 BFAA C[C@H]1CCCN(C(=O)c2cccc(F)c2)C1 318803 PUWFGBFVUFVYKS-JTQLQIEISA-N 221.275 2.698 0 50 BFAA O=C(O)[C@H]1CC=CC[C@@H]1Cc1ccccc1 342280 SLIBOSUXKGDWRP-OLZOCXBDSA-N 216.280 2.896 0 50 BFAA biogenic Cc1ccc(CNC(=O)NC(C)(C)C)c(C)c1 401723 XFXDSHYADHKICK-UHFFFAOYSA-N 234.343 2.901 0 50 BFAA CCc1cccc(C)c1NC(=O)[C@@H]1CCCO1 461226 AZFPXVSFRVFLHX-LBPRGKRZSA-N 233.311 2.675 0 50 BFAA COc1ccc(C2=C(C)SC3=NCCN32)cc1 495636 CWQACXNNMRFCNM-UHFFFAOYSA-N 246.335 2.802 0 50 BFAA Nc1c(F)c(F)c(Br)c(F)c1F 2167091 LZUYSMHNMFCPBF-UHFFFAOYSA-N 243.985 2.588 0 50 BFAA biogenic,in-vitro CCCNC(=O)[C@@H](CC)c1ccccc1 2745676 QOKXKNXYKXZFPD-LBPRGKRZSA-N 205.301 2.706 0 50 BFAA CCn1c2ccccc2c2cc(C(N)=O)ccc21 4998460 IZHHCAXJAHTWQG-UHFFFAOYSA-N 238.290 2.913 0 50 BFAA CC1(C)C[C@H](NCc2cccs2)CCO1 5025043 MVONHCZOBWSODL-SNVBAGLBSA-N 225.357 2.795 0 50 BFAA CC(=C\c1ccccc1)/C=C1/SC(=O)NC1=O 12342792 XWGJEYLUCQLPAT-BIZFVBGRSA-N 245.303 2.957 0 50 BFAA Nc1ccc(-c2cccc(Cl)c2)cn1 16946492 YLBIMHAAQBBISK-UHFFFAOYSA-N 204.660 2.984 0 50 BFAA in-vitro CCN(CCN(C)C)C1CCCCCC1 19635987 ABOKTMWZZHKJGQ-UHFFFAOYSA-N 212.381 2.593 0 50 BFAA COC(=O)c1ccc(-c2cccc(OC)c2)nc1 34949806 LAVVWJQUWZBRAF-UHFFFAOYSA-N 243.262 2.544 0 50 BFAA CNc1ccc(Br)c(F)c1 36533381 TWOKQYIUVNPQKA-UHFFFAOYSA-N 204.042 2.630 0 50 BFAA Clc1c[nH]c2cc(Br)cnc12 44712915 IRTRCWPUIFWGSN-UHFFFAOYSA-N 231.480 2.979 0 50 BFAA in-vitro O=C1c2ccccc2-c2[nH]nc3cccc1c23 96298875 ACPOUJIDANTYHO-UHFFFAOYSA-N 220.231 2.774 0 50 BFAA world O=C(CC(F)(F)F)c1cccc([N+](=O)[O-])c1 146090948 VKUNLAZXIJUIDC-UHFFFAOYSA-N 233.145 2.730 0 50 BFAA CCCn1ccnc1C(=O)c1ccnc(Cl)c1 156072058 SQFVPHHISBZPDO-UHFFFAOYSA-N 249.701 2.573 0 50 BFAA CCc1nc(CNc2nc(C)cnc2C)cs1 170604199 PXVWBHVBSQWMNW-UHFFFAOYSA-N 248.355 2.724 0 50 BFAA CC[C@H](c1ccccc1)N1CC[C@@H](C(=O)O)C1 226444975 IABIVNTXVLRPMJ-CHWSQXEVSA-N 233.311 2.544 0 50 BFAA COC(=O)c1c(F)cc(C)cc1Br 261507287 HDXDWSSDZMVCKV-UHFFFAOYSA-N 247.063 2.683 0 50 BFAA COc1nc(C)c(NC(=O)OC(C)(C)C)s1 307085635 JPLASHLWMCNUDQ-UHFFFAOYSA-N 244.316 2.807 0 50 BFAA CC1(C)C[C@H]1C(=O)NCC1Cc2ccccc2C1 337441890 MTMJDTGFEJBCBS-AWEZNQCLSA-N 243.350 2.564 0 50 BFAA CC(C)CNc1ccc(-c2nc[nH]n2)cc1 725242665 SOBIFQUFRFGNLC-UHFFFAOYSA-N 216.288 2.540 0 50 BFAA CC[C@]1(C)OC(=O)N(c2ccc(C)cc2)[C@]1(C)O 62825 XMWMXPJLPCRTIY-UONOGXRCSA-N 249.310 2.829 0 50 BFAA O=C(NCCc1ccccc1)NC1CCCCC1 182146 YJAMPQZPTKVFIU-UHFFFAOYSA-N 246.354 2.861 0 50 BFAA in-vivo C[C@H]1CCC[C@H](C)N1C(=O)c1ccccc1N 309804 ZNDUKWZNBHOKHB-QWRGUYRKSA-N 232.327 2.672 0 50 BFAA in-vitro CC1(C)C[C@@H](C(=O)NC2CCCCC2)CCO1 520799 ATIGWZIUOICJKZ-NSHDSACASA-N 239.359 2.641 0 50 BFAA OC1=NC2(CCCC2)Nc2ccccc21 1004789 BGYVTOPASJGSEB-UHFFFAOYSA-N 202.257 2.687 0 50 BFAA in-vitro CC(=O)NCCOc1cc(C)ccc1C(C)C 2870270 SOAMFMSXVOXBDW-UHFFFAOYSA-N 235.327 2.633 0 50 BFAA c1ccc(-c2csc3nccc[n+]23)cc1 3194428 YHRXNWXNNMUMCU-UHFFFAOYSA-N 213.285 2.549 0 50 BFAA C[C@@]1(C23CC4CC(CC(C4)C2)C3)CC(=O)O1 4183919 LMZMDLZDHKLEJD-HWMFUMESSA-N 220.312 2.908 0 50 BFAA CC(C)(C)OC(=O)N[C@@H]1CNc2ccccc2C1 4202330 GAURNOYXRZQBNV-NSHDSACASA-N 248.326 2.548 0 50 BFAA Cc1sc(C(=O)O)cc1Br 5045697 JUPQMRVILHTCOF-UHFFFAOYSA-N 221.075 2.517 0 50 BFAA in-vitro Cc1ccc(NC(=S)N2CCCC2)cc1 6487059 KCSNYJBZSAYVIN-UHFFFAOYSA-N 220.341 2.788 0 50 BFAA Cc1cccc(CC(=O)NCc2ccccc2)c1 6698432 YUGYWWQRRINRJP-UHFFFAOYSA-N 239.318 2.854 0 50 BFAA CC[C@@H](C)NC(=O)[C@H](C)Oc1cccc(C)c1 14397118 XJWYOJRJIJAQQF-NEPJUHHUSA-N 235.327 2.677 0 50 BFAA Clc1cc(Cl)c2c(c1)CNCC2 16082965 QCSLOZFEMQTPJA-UHFFFAOYSA-N 202.084 2.639 0 50 BFAA CCc1ccc(C(=O)Nc2cccnc2)s1 16603796 NOHPPEUVLLNAMK-UHFFFAOYSA-N 232.308 2.958 0 50 BFAA C[C@@H]1Oc2ccccc2C[C@H]1N1CCCCC1 95918236 UVTDDEOHIXVKQH-GXTWGEPZSA-N 231.339 2.865 0 50 BFAA CC(C)OC1CC(N[C@H](C)c2cccc(O)c2)C1 189533563 AJQFOIZJHBCLTP-NUYPLMSZSA-N 249.354 2.999 0 50 BFAA C[C@H](C1CC1)N(C)C(=O)[C@@H]1C[C@H]2CC[C@H]1C2 225177145 ZDPNROLVGBVIEY-RSLMWUCJSA-N 221.344 2.680 0 50 BFAA O=C(O)C1(c2ccc(C(F)(F)F)cc2F)CC1 258323559 ICTUDWUPWOCYOU-UHFFFAOYSA-N 248.175 2.961 0 50 BFAA CC1(C)OCC[C@H]1NCCCNc1ccccc1 293759619 OUQPTJKVAYGELL-CQSZACIVSA-N 248.370 2.646 0 50 BFAA CCNC(=O)c1ccc(-c2ccncc2)s1 952965557 RPHXMMABJRKBAV-UHFFFAOYSA-N 232.308 2.560 0 50 BFAA C=CC(=O)Nc1cc2ccccc2cc1O 1772718314 DEGIABBSIWTCOA-UHFFFAOYSA-N 213.236 2.670 0 50 BFAA CN1CC[C@H](Cn2ccnc2-c2ccccc2)C1 1875250943 FDGKPRHRIVSLCZ-ZDUSSCGKSA-N 241.338 2.502 0 50 BFAA Cc1ncc(CN[C@H](C)c2ccncc2C)o1 1875284941 WMMLYOWECPOREU-SNVBAGLBSA-N 231.299 2.537 0 50 BFAA CC(C)(C(=O)c1cccnc1)c1cccnc1 1728 FJLBFSROUSIWMA-UHFFFAOYSA-N 226.279 2.637 0 50 BFAA biogenic,fda CC(C)(Oc1ccccc1Cl)C(=O)O 43838 ZEQSWIRBIUYYFA-UHFFFAOYSA-N 214.648 2.582 0 50 BFAA in-vitro COc1ccc(CN2CCSCC2)cc1C 237051 GEBUVBKIJYIDIV-UHFFFAOYSA-N 237.368 2.552 0 50 BFAA c1ccc2c(c1)CC1(CCCCC1)n1nnnc1-2 268840 FDGWLIPQHYNIJS-UHFFFAOYSA-N 240.310 2.556 0 50 BFAA Cn1cnc2cc(NCc3ccccn3)ccc21 423361 YKAXLZRSPLSNQM-UHFFFAOYSA-N 238.294 2.580 0 50 BFAA O=C(O)CC[C@H]1CCc2ccccc2C1 4825599 UXSTWPJLEBGWSJ-SNVBAGLBSA-N 204.269 2.656 0 50 BFAA CCOc1ccc(C(=O)O)cc1Br 4837916 XCKMWULLKHQZIP-UHFFFAOYSA-N 245.072 2.546 0 50 BFAA in-vitro COC(=O)c1cccc(-c2ccc(OC)nc2)c1 6715207 SSKKWWBDWOOGMQ-UHFFFAOYSA-N 243.262 2.544 0 50 BFAA COc1ccc2c(c1)CCC[C@H]2CC(=O)O 20259978 XSGCUQLKTRSCDY-JTQLQIEISA-N 220.268 2.590 0 50 BFAA in-vitro CNc1cc(F)ccc1Br 36533375 ANLGAUIUSSHNAX-UHFFFAOYSA-N 204.042 2.630 0 50 BFAA in-vitro O=C(O)C1(Cc2ccccc2)CCCC1 41212660 PJWROSNRJZXGHJ-UHFFFAOYSA-N 204.269 2.874 0 50 BFAA CCC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 71375924 IEMWMCVMYBJZCE-LLVKDONJSA-N 233.311 2.815 0 50 BFAA CC(C)(C)OC(=O)NCCC(=O)c1ccccc1 90636371 PGVALDZADVCHBZ-UHFFFAOYSA-N 249.310 2.784 0 50 BFAA CC(C)(C)CCNCc1ccccc1CO 195573193 UDFGLNATCJZUNQ-UHFFFAOYSA-N 221.344 2.705 0 50 BFAA CCc1nc(C)cc(NCC2(COC)CCC2)n1 286398021 JQLNWNNBOQJRGH-UHFFFAOYSA-N 249.358 2.576 0 50 BFAA Cc1nsc(N[C@H]2CC23CCCC3)n1 306539388 NEICQBRAECGIPK-QMMMGPOBSA-N 209.318 2.591 0 50 BFAA O=C(Nc1ccc(F)c(F)c1F)C1=CCC1 335669072 HKAJQRPGPWUJQZ-UHFFFAOYSA-N 227.185 2.763 0 50 BFAA CCCc1cnc(C)nc1-c1c(C)n[nH]c1C 534581957 DBKWYEMHPROTSY-UHFFFAOYSA-N 230.315 2.744 0 50 BFAA CCC[C@H]1CCC(=O)C[C@@H]1n1cccn1 725360899 KXQOGFZWZWWHDL-JQWIXIFHSA-N 206.289 2.594 0 50 BFAA O[C@H]1CCCN(Cc2ccc3ccccc3c2)C1 200251 LJBHRWWALSUHEC-INIZCTEOSA-N 241.334 2.797 0 50 BFAA OC[C@H]1CCCN(Cc2cccc(Cl)c2)C1 209957 BKJRNNAFSPKFLS-LBPRGKRZSA-N 239.746 2.544 0 50 BFAA CN(C)c1ccc(N(C=O)C(C)(C)C)cc1 332329 SYHNWOXSRQDKSQ-UHFFFAOYSA-N 220.316 2.514 0 50 BFAA CC[C@@H](C)C(=O)Nc1ccc(OC)cc1 373295 WEEDBKYAROGPRB-SECBINFHSA-N 207.273 2.680 0 50 BFAA CC(C)[C@@H](C)NC(=O)Nc1ccccc1 409081 FUHIHFNTKRYEQQ-SNVBAGLBSA-N 206.289 2.853 0 50 BFAA Cc1c(C(=O)OCC(C)C)[nH]c2c1C(=O)CCC2 427708 KGTQFSRHGCYKDK-UHFFFAOYSA-N 249.310 2.655 0 50 BFAA CCCCNC(=S)Nc1ccc(OC)cc1 2187388 DFBKHLMDEOVMQO-UHFFFAOYSA-N 238.356 2.782 0 50 BFAA CCOC(=O)c1cccc(C(=O)C(F)(F)F)c1 2378548 DIDNWEUOZHFCKH-UHFFFAOYSA-N 246.184 2.608 0 50 BFAA Cc1csc(NC(=O)c2ccccc2F)n1 2901268 DUAZHICIWTUJIR-UHFFFAOYSA-N 236.271 2.843 0 50 BFAA C[C@@H]1CC(C)(C)O[C@H](C(C)(C)CN(C)C)O1 3684131 ISIJXVZVUKMGND-GHMZBOCLSA-N 229.364 2.504 0 50 BFAA biogenic CCOC(=O)c1ccc2nc(C)n(CC)c2c1 4623390 XVRWIBBYNFDCII-UHFFFAOYSA-N 232.283 2.541 0 50 BFAA Nc1cc(Br)c2ccccc2n1 14982020 KEYPUSCLNYKXET-UHFFFAOYSA-N 223.073 2.580 0 50 BFAA in-vitro CCc1nc(NC)c2cc(C)sc2n1 41090637 ODCSALVNBQQFJP-UHFFFAOYSA-N 207.302 2.604 0 50 BFAA COC(=O)c1cc(C)cc(Br)c1 42689584 OAOZBFUAVJUPED-UHFFFAOYSA-N 229.073 2.544 0 50 BFAA in-vitro COc1ccc(N)c(NC(=O)OC(C)(C)C)c1 66354586 ATQQUUXZLWAIMY-UHFFFAOYSA-N 238.287 2.624 0 50 BFAA COc1ncccc1-c1ccc(F)cc1O 67473297 NFHCLCZFQKFKMP-UHFFFAOYSA-N 219.215 2.602 0 50 BFAA COc1ccc(Cl)c(-c2ncc[nH]2)c1F 67833785 IOIMZLWRPYAMPV-UHFFFAOYSA-N 226.638 2.878 0 50 BFAA CC(F)(F)c1cccc(Br)n1 77011991 GGHWPUJGODNDNT-UHFFFAOYSA-N 222.032 2.956 0 50 BFAA in-vitro Oc1c(Br)cnc2ccsc12 146309622 VILZHAAMUURYBH-UHFFFAOYSA-N 230.086 2.764 0 50 BFAA CC(C)(C)CCN[C@@H]1CCC[C@@H]1CCO 188596876 JZLHZCVQJUITPZ-VXGBXAGGSA-N 213.365 2.563 0 50 BFAA Nc1cc(OC(F)F)ccc1C(F)(F)F 258833832 MBQUSJVAKLVWHE-UHFFFAOYSA-N 227.132 2.889 0 50 BFAA CC(=O)N1CCC(c2ccc(F)cc2C)CC1 292889222 QFWFQRRTRSGCOC-UHFFFAOYSA-N 235.302 2.860 0 50 BFAA Cc1cc(C(=O)N[C@@H]2CC[C@H](F)C2)c(C)o1 334515027 DANZOXLFZVOYRZ-VHSXEESVSA-N 225.263 2.517 0 50 BFAA CCc1c(-c2cccc(N(C)C)c2)cnn1C 426383111 JEPOLXAXQCGZHW-UHFFFAOYSA-N 229.327 2.716 0 50 BFAA CN[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1c1ccc(F)cc1 526058952 FNZPIQOIWZUNAL-AUZPSNTRSA-N 219.303 2.927 0 50 BFAA Oc1ccc2c(c1)CC[C@H](NCc1ccco1)C2 683473601 ABKCXNMZWQEPSZ-ZDUSSCGKSA-N 243.306 2.632 0 50 BFAA C=CC(=O)N1CCC[C@@H]1Cc1cccc(F)c1 791340473 PZXWXRRFEDBCIW-CYBMUJFWSA-N 233.286 2.545 0 50 BFAA C=CC(=O)N1CCC[C@H]1c1ccc(F)cc1 848979372 UWLYIAXYDUIRMM-LBPRGKRZSA-N 219.259 2.675 0 50 BFAA Cc1noc(C)c1COc1cccc(C(=O)O)c1 87844 NSODFQJPVJFTLK-UHFFFAOYSA-N 247.250 2.569 0 50 BFAA in-vitro Clc1ccc(Oc2ccccc2)nn1 1661981 VPVVMGVIGYPNDM-UHFFFAOYSA-N 206.632 2.922 0 50 BFAA in-vitro CCCOc1ccc2c(C)cc(=O)oc2c1 1927096 DUPADYVFPSZVPH-UHFFFAOYSA-N 218.252 2.890 0 50 BFAA biogenic Cc1csc(Cc2nc3ccccc3n2C)n1 3888483 DHVGNTYYIGISAL-UHFFFAOYSA-N 243.335 2.929 0 50 BFAA CCCc1nc(C)cc(N2CCC[C@H](C)C2)n1 6767913 PZUAASZVEFRTDO-NSHDSACASA-N 233.359 2.974 0 50 BFAA Cc1ccc(-c2noc(C3CCNCC3)n2)cc1 15446548 OQBBGNYPIBXJMY-UHFFFAOYSA-N 243.310 2.512 0 50 BFAA C/C(=C\c1ccccc1)CN(C)CCN(C)C 19633085 HUDDLZLXYHUOSJ-WYMLVPIESA-N 232.371 2.583 0 50 BFAA COc1ccc2c(O)cc(C(F)(F)F)nc2c1 32264553 SOHIYSRJLNWZFZ-UHFFFAOYSA-N 243.184 2.968 0 50 BFAA in-vitro CC(C)(O)c1ccc(Br)cc1 37379852 AOGYBHJTXLXRSM-UHFFFAOYSA-N 215.090 2.677 0 50 BFAA in-vitro O=C(O)c1cccnc1N[C@H]1CC[C@@H]2CCC[C@@H]21 77355599 APHANKUNOXYYPP-NHCYSSNCSA-N 246.310 2.770 0 50 BFAA O=C(c1cccc(Cl)c1)c1ncco1 85651115 CKAUXCIIFHVJIO-UHFFFAOYSA-N 207.616 2.559 0 50 BFAA OCc1cccc(Br)c1Cl 95642849 UAMPSBOTQHHEIA-UHFFFAOYSA-N 221.481 2.595 0 50 BFAA in-vitro Cc1c(CN2CCNCC2)sc2ccccc12 96880668 UPMXNXXMXOYXGQ-UHFFFAOYSA-N 246.379 2.615 0 50 BFAA CS[C@@H]1CCC[C@@H]1N(C)Cc1cscn1 110642551 UFHSOHOHLBRHHK-WDEREUQCSA-N 242.413 2.859 0 50 BFAA CC(C)(C)OC(=O)N[C@@H]1CCc2ccc(N)cc21 139934155 CLHXLEGKJBLKFP-GFCCVEGCSA-N 248.326 2.781 0 50 BFAA CCc1ccc(-c2nc(CO)c(C)o2)cc1 167931511 QADIZZVOCUAUPM-UHFFFAOYSA-N 217.268 2.705 0 50 BFAA Cc1nc(CNc2cc(C(C)C)ncn2)oc1C 226386007 DXKNFNYVORSRLF-UHFFFAOYSA-N 246.314 2.817 0 50 BFAA Nc1ncnc(NC2CCCCCC2)c1Cl 227840986 IWYUOLYZMAQHCY-UHFFFAOYSA-N 240.738 2.847 0 50 BFAA Nc1cccc(Oc2nc(Cl)ncc2F)c1 261508492 TXNORRSCZDPTNE-UHFFFAOYSA-N 239.637 2.644 0 50 BFAA C[C@@H]1C[C@@H](C)[C@H](c2nc(-c3ccccn3)no2)O1 283745270 FDBAOMMEEMTNKO-FXPVBKGRSA-N 245.282 2.618 0 50 BFAA COc1cc(C(F)(F)F)ccc1/C=C/C(=O)O 299805276 GWCJMKSOPUUFDP-HWKANZROSA-N 246.184 2.812 0 50 BFAA in-vitro Cc1cnc(-c2noc(C(C)(C)F)n2)s1 334666699 FNFCGGMNMROQQZ-UHFFFAOYSA-N 227.264 2.706 0 50 BFAA Cc1ncc(C)c(N2CCc3ccccc3C2)n1 408518642 ROEQLRCGQWUWGV-UHFFFAOYSA-N 239.322 2.656 0 50 BFAA c1cc2ccc(C3=NCCS3)cc2[nH]1 584904530 PJGFKSPVNKNQNI-UHFFFAOYSA-N 202.282 2.661 0 50 BFAA O=C(O)c1nc2ccccc2cc1C1CC1 642882364 VBCQWUHOZBSHOK-UHFFFAOYSA-N 213.236 2.810 0 50 BFAA Cc1nc(-c2ccc(F)c(O)c2)n(C(C)C)n1 825291969 DBSCUYVVHHONAC-UHFFFAOYSA-N 235.262 2.679 0 50 BFAA CC(=O)[C@H](C)SCc1nc(C(C)C)ns1 863982327 CDRPOKIWGGJPNI-QMMMGPOBSA-N 244.385 2.872 0 50 BFAA Cc1cnc(C)c(NCCCC[C@@H]2CCCO2)n1 1506425041 LBCBIEMIVSBEAI-CYBMUJFWSA-N 249.358 2.855 0 50 BFAA CCc1nc(C)cn2cc(Br)cc12 1772798445 LGZGKXVVQUWIFY-UHFFFAOYSA-N 239.116 2.968 0 50 BFAA C=CC(=O)N1c2ccc(Cl)cc2OC[C@@H]1C 1776007263 IXJZJBQNPJLSMZ-QMMMGPOBSA-N 237.686 2.640 0 50 BFAA Clc1ccc(OC[C@H]2CO2)cc1Cl 162770 NRLJEEOYPXGFOM-ZETCQYMHSA-N 219.067 2.771 0 50 BFAA in-vitro O=C(O)/C=C(/c1ccccc1)C(F)(F)F 228453 IZLDRXUDBMVNKB-VURMDHGXSA-N 216.158 2.717 0 50 BFAA CCCN(CCO)Cc1ccc(Cl)cc1 278262 BAPJQMWKDKNRAK-UHFFFAOYSA-N 227.735 2.544 0 50 BFAA O=C(/C=C/c1ccc(F)cc1)Nc1ccncc1 369266 JYAPUAXONHYIEL-ZZXKWVIFSA-N 242.253 2.873 0 50 BFAA CN(C[C@H](O)c1ccccc1)c1ccccc1 399632 UTFKRKIKZZXSDC-HNNXBMFYSA-N 227.307 2.856 0 50 BFAA O[C@]12CCCC[C@H]1[C@@H](c1ccc(F)cc1)NCC2 4487967 DQJVTBCKCFMOEZ-ZNMIVQPWSA-N 249.329 2.781 0 50 BFAA CN(C)Cc1ccc(C(=O)C(C)(C)C)cc1 4795666 YNWLBDOKFCSFES-UHFFFAOYSA-N 219.328 2.977 0 50 BFAA CCc1cc(C(=O)N[C@H](C)c2ccccc2)no1 8592832 ZDSSQPIVZOYKNH-SNVBAGLBSA-N 244.294 2.728 0 50 BFAA CC(C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1 12382575 AFDCWGYQGKAXDH-VIFPVBQESA-N 241.718 2.632 0 50 BFAA Fc1ccc(S[C@@H]2CCCNC2)cc1 22200504 PCNQVEIZFPSZNW-LLVKDONJSA-N 211.305 2.670 0 50 BFAA in-vitro Cc1sc(N)nc1-c1c(F)cccc1F 84942684 ACGLVMOLTDYIAV-UHFFFAOYSA-N 226.251 2.979 0 50 BFAA Clc1cc(Br)c(Cl)nn1 85220947 XAXKZIUQIROVNV-UHFFFAOYSA-N 227.876 2.546 0 50 BFAA in-vitro C[C@H]1CC(C)(C)CC[C@@H]1NCc1ncc[nH]1 86662523 IJQOFHBUTKEHGW-QWRGUYRKSA-N 221.348 2.714 0 50 BFAA CC[C@@H](NCCn1ccnc1)c1ccccc1F 163457815 WZKAZUDBJZYDMW-CQSZACIVSA-N 247.317 2.763 0 50 BFAA C[C@H]1CN(Cc2ccon2)c2cccc(F)c2O1 185981690 AHNDCUQATPKRFC-VIFPVBQESA-N 248.257 2.601 0 50 BFAA C[C@H](CNCc1sccc1Cl)C[C@@H](C)O 193121107 VHSISFZTKYUBKI-DTWKUNHWSA-N 247.791 2.898 0 50 BFAA C[C@H]1[C@H](C)CCC[C@H]1NC(=O)c1cccnc1 245253954 UYTYXXIMPJCQLO-NTZNESFSSA-N 232.327 2.636 0 50 BFAA O=C1CC[C@]2(CC[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)O1 257355650 BWGQYUVNAHAZKO-STXZSOOUSA-N 206.285 2.518 0 50 BFAA Fc1nccc(OC(F)F)c1Br 263622901 BURKXFNSUOHQMV-UHFFFAOYSA-N 241.994 2.585 0 50 BFAA C[C@@H]1CCCCN(c2ncnc3[nH]ccc23)C1 274689882 JOHBOKSPOVROSC-SNVBAGLBSA-N 230.315 2.584 0 50 BFAA Cc1cc2c[nH]nc2cc1[C@H]1C[C@@H](C)CCN1 757215696 XBHWFQHDPZRASK-LKFCYVNXSA-N 229.327 2.932 0 50 BFAA C1=C[C@@H](NC2CSCCSC2)CCC1 1506430147 WYDIBCSCZIAPGG-SNVBAGLBSA-N 229.414 2.533 0 50 BFAA C[C@@H]1C[C@H]1[C@@H](C)N[C@@H]1CCc2cc(O)ccc2C1 2325888012 NFJGZAWFAXGKIW-MMYVAXCBSA-N 245.366 2.884 0 50 BFAA Cc1ccc(NC(=O)Nc2cc(C)on2)cc1 139193 PKLSEHPDSDVWKT-UHFFFAOYSA-N 231.255 2.935 0 50 BFAA Cc1cc(O)cc(C)c1Br 339095 WMUWDPLTTLJNPE-UHFFFAOYSA-N 201.063 2.772 0 50 BFAA C[C@@H]1C[C@H]1C(=O)NCc1ccccc1Cl 372112 NMOUSSKELMDEIW-PSASIEDQSA-N 223.703 2.612 0 50 BFAA CCOc1c(Cl)cc(N)c(O)c1Cl 392382 FEWGMSLAFHTDCH-UHFFFAOYSA-N 222.071 2.680 0 50 BFAA CNCCOc1ccccc1-c1ccccc1 2049849 NAOKBAGYTAYJJY-UHFFFAOYSA-N 227.307 2.952 0 50 BFAA CCn1cc(C(=O)Nc2ccccc2F)c(C)n1 2755496 APMOFTNSJYOBFF-UHFFFAOYSA-N 247.273 2.603 0 50 BFAA CCCCN(C)CCOc1ccccc1 3000902 AUWSIGNDPRZMOX-UHFFFAOYSA-N 207.317 2.797 0 50 BFAA FC(F)(F)c1nc(S)nc2c1CCCC2 4137253 CMQQXAWOTCAVBD-UHFFFAOYSA-N 234.246 2.663 0 50 BFAA Nc1cccc(-c2cccc(C(=O)O)c2)c1 4245535 RQKFSJNOPKCEJI-UHFFFAOYSA-N 213.236 2.634 0 50 BFAA in-vitro c1ccc2[nH]c(N3CCCCC3)nc2c1 11535802 JUYQSMXGDBGGSX-UHFFFAOYSA-N 201.273 2.553 0 50 BFAA Cc1ccc2c(c1C)OC(C)(C)C[C@@H]2O 11568141 WPINEGROAATYJN-NSHDSACASA-N 206.285 2.898 0 50 BFAA COC(=O)C(C)(C)c1ccc(Cl)cc1 12336846 CDZJDEOJHDQJCR-UHFFFAOYSA-N 212.676 2.791 0 50 BFAA CC(=O)N1CCC[C@H](Nc2ccc(C)c(C)c2)C1 12448037 VDHPZNOLJJSDHB-HNNXBMFYSA-N 246.354 2.726 0 50 BFAA CC(=O)c1nn(-c2ccccc2)c(C)c1C(C)=O 15084657 FAUKYMHSECMHRP-UHFFFAOYSA-N 242.278 2.586 0 50 BFAA O=C(c1c(F)ccc(F)c1F)C(F)(F)F 40571468 CWYYDJBYBHUJGF-UHFFFAOYSA-N 228.091 2.849 0 50 BFAA CCCCNC[C@@H]1COc2c(C)cccc2C1=O 96026738 VBNNABVRLJOZLX-GFCCVEGCSA-N 247.338 2.576 0 50 BFAA COCc1[nH]nc(C)c1-c1cccc(N(C)C)c1 96150151 CXXQZSFIZCSGBX-UHFFFAOYSA-N 245.326 2.598 0 50 BFAA Cc1ccccc1N1CCN(CC2CC2)CC1 155411660 MHUCJJIYVVMGGV-UHFFFAOYSA-N 230.355 2.527 0 50 BFAA Cc1[nH]ccc1C(=O)N1CCC[C@@H]1c1ccco1 176601461 DUXLDVFKCNEHDL-GFCCVEGCSA-N 244.294 2.893 0 50 BFAA CC(C)(C)CNc1nnc(-c2ccncc2)o1 191526448 BDXGXQQJDIFRIN-UHFFFAOYSA-N 232.287 2.590 0 50 BFAA C=CC(=O)N1CCCCC[C@H]1c1ccncc1 199100416 FWMDZJMXZLUQCY-ZDUSSCGKSA-N 230.311 2.711 0 50 BFAA CC(C)/N=c1\ccccn1C(=O)C[C@H]1C=CCC1 201603846 RWDSDSMNQARVAY-YZGLPLCXSA-N 244.338 2.794 0 50 BFAA C[C@@H]1C[C@@H](C)CN(C(=O)C[C@@H]2C=CCC2)C1 245202903 XBRHKOKFAOVBSD-JHJVBQTASA-N 221.344 2.847 0 50 BFAA Cc1ccnc(Br)c1OC(F)F 263625049 WHBGZCUKNSDPNZ-UHFFFAOYSA-N 238.031 2.754 0 50 BFAA c1ccc(N2CCOC3(CCCCC3)C2)nc1 301419017 BLCKNDWEECZSCU-UHFFFAOYSA-N 232.327 2.621 0 50 BFAA Cn1cncc1-c1cnc2cccc(F)c2c1 1243071568 VWUBOXUGNQIRBB-UHFFFAOYSA-N 227.242 2.774 0 50 BFAA Nc1ncc(Cc2ccccc2Cl)s1 137438 AZSAJPPZQCIVPK-UHFFFAOYSA-N 224.716 2.970 0 50 BFAA in-vitro Cc1ccccc1O[C@H](C)C(=O)NCC(C)C 364753 PIFSDKQPFKPPJF-GFCCVEGCSA-N 235.327 2.535 0 50 BFAA CC(C)C(=O)OC[C@H](C)c1ccccc1 406940 LZTCJUAHYXNKRE-NSHDSACASA-N 206.285 2.989 0 50 BFAA endogenous,in-man COc1cc(C)c(Br)c(OC)c1 1702383 RONRLLIJBQHXCI-UHFFFAOYSA-N 231.089 2.775 0 50 BFAA FC(F)(F)c1ccc([C@@H]2CCNC2)cc1 2509810 MMHBTMCYKWWNNS-SECBINFHSA-N 215.218 2.782 0 50 BFAA in-vitro Cc1scc(-c2n[nH]c(=S)n2C)c1C 2569137 YEQRMXBSHBPNAE-UHFFFAOYSA-N 225.342 2.823 0 50 BFAA in-vitro C[C@H](NCc1cccn1C)c1ccccc1 4657545 HSYAGQYFRVLLSB-LBPRGKRZSA-N 214.312 2.876 0 50 BFAA CCCSc1nc(-c2ccccc2)cc(=O)[nH]1 5154808 VFIKLZYYOIERQP-UHFFFAOYSA-N 246.335 2.939 0 50 BFAA O[C@@H](CNCc1ccc(F)cc1)c1ccccc1 19797602 VQTWFXWQAKZVNN-HNNXBMFYSA-N 245.297 2.649 0 50 BFAA c1cc(CN2CCCC2)cc(-c2cc[nH]n2)c1 20167036 LKIOBPQAZVKVAA-UHFFFAOYSA-N 227.311 2.673 0 50 BFAA CCOc1ccc(OC(F)(F)F)cc1 39566096 HQDHLFHDJSGNKX-UHFFFAOYSA-N 206.163 2.984 0 50 BFAA Cc1ccc(OC[C@H](C)NC(=O)C(C)(C)C)cc1 60138752 GBBYDEVYWAQMFL-LBPRGKRZSA-N 249.354 2.925 0 50 BFAA O=Cc1ccc(O)c(OCc2ccccc2)c1 73734136 CWMRCRFALIQFHU-UHFFFAOYSA-N 228.247 2.784 0 50 BFAA O=Cc1ccc(F)c(F)c1Br 143987674 LBTJGMXVLOOKBO-UHFFFAOYSA-N 221.000 2.540 0 50 BFAA Cc1c(CC(=O)O)ccc(Cl)c1Cl 145127516 FZXIFMVOKRTWTE-UHFFFAOYSA-N 219.067 2.929 0 50 BFAA O=C(Oc1ccc2c(c1)CCC2)[C@H]1CCCOC1 170620718 MMNSKLDEMXRZSN-ZDUSSCGKSA-N 246.306 2.507 0 50 BFAA CCc1cccnc1NC(=O)C[C@@H]1CCCCO1 269932116 UMPGQYMUNFOEMT-LBPRGKRZSA-N 248.326 2.542 0 50 BFAA CN(C)[C@@]12C[C@@H]3C[C@@H](C[C@@](Cl)(C3)C1)C2 306754645 PXWWJPYCWJIXCB-IWDIQUIJSA-N 213.752 2.878 0 50 BFAA O=C(N[C@@H]1CC=CCC1)[C@@H]1CCC(F)(F)C1 336538154 XEDYOJLVZQBAAH-NXEZZACHSA-N 229.270 2.647 0 50 BFAA COc1ccc(C)nc1-c1ccnn1C(C)C 426627805 ODWMWBWWRGMBGE-UHFFFAOYSA-N 231.299 2.843 0 50 BFAA c1cncc(-c2csc(N3CCCC3)n2)c1 1615576776 LCINNEBNZKMCBL-UHFFFAOYSA-N 231.324 2.805 0 50 BFAA Cc1cncc(C=Cc2cc(O)cc(F)c2)n1 1857529838 GHZLSSOLUWIZQO-UHFFFAOYSA-N 230.242 2.800 0 50 BFAA Cc1cc(C(=O)NCC2CC2)cc2cccnc12 2325806066 QKXXKRJDMWFDCB-UHFFFAOYSA-N 240.306 2.683 0 50 BFAA O[C@@H]1C[C@@H](c2ccccc2)NC2(CCCC2)C1 88472 OMBCWYLENQIVBL-KGLIPLIRSA-N 231.339 2.785 0 50 BFAA CC(=O)Nc1ccc(N2CCCCC2)cc1 146920 HRQOQSWMKUGORD-UHFFFAOYSA-N 218.300 2.635 0 50 BFAA COc1ccc2c(c1)c(C(C)=O)c(C)n2C 186171 ZUMAKYZWDBDHIG-UHFFFAOYSA-N 217.268 2.698 0 50 BFAA Cc1cccc(NC(=O)Cc2ccc(F)cc2)n1 339777 CPIKSZSMFCVTNI-UHFFFAOYSA-N 244.269 2.710 0 50 BFAA COc1ccc(C(=O)c2ccc(O)cc2)cc1 396292 LGJXZWFPIDESNQ-UHFFFAOYSA-N 228.247 2.632 0 50 BFAA CCOC(=O)c1cc(OCC)cc(OCC)c1 403459 QILFPIREJVUYJP-UHFFFAOYSA-N 238.283 2.661 0 50 BFAA CCOc1ccccc1C(=O)N1CCCCC1 449822 BLJYLGMJIBKWPF-UHFFFAOYSA-N 233.311 2.711 0 50 BFAA CCCOc1ccc2cc(C(=O)O)[nH]c2c1 3748720 RDJZECGARHZBHJ-UHFFFAOYSA-N 219.240 2.655 0 50 BFAA in-vitro Cc1ccc(O[C@H](C)C(=O)NC(C)(C)C)cc1C 8041760 ZMBROFGXUBZSJJ-GFCCVEGCSA-N 249.354 2.985 0 50 BFAA Cc1cc(OC(F)(F)F)ccc1CC(=O)O 16125772 QAPHQXYMFGNMCK-UHFFFAOYSA-N 234.173 2.521 0 50 BFAA CCCCc1c(C)nc(SCCC)[nH]c1=O 18190934 DUJNKTVNGKPTTB-UHFFFAOYSA-N 240.372 2.923 0 50 BFAA Clc1ccc2c(Cl)nc(Cl)nc2n1 30678540 DNFDLCRLLQVUQK-UHFFFAOYSA-N 234.473 2.985 0 50 BFAA CCN(CC)c1cccc(Br)n1 38537204 BACITTGULZNNGC-UHFFFAOYSA-N 229.121 2.690 0 50 BFAA in-vitro COC(=O)[C@@H](c1ccccc1)N1CCCCCC1 61852318 GMVWLPCRWKVKHO-CQSZACIVSA-N 247.338 2.777 0 50 BFAA Cc1cccc(NC(=O)OC(C)(C)C)c1N 89194821 UBNVNWVDWSIMOE-UHFFFAOYSA-N 222.288 2.924 0 50 BFAA in-vitro O=C(O)C12c3ccccc3[C@@H]3C1[C@H]3c1ccccc12 100970679 FKSIIJYNCZTDFV-JPQBHMHHSA-N 248.281 2.882 0 50 BFAA CCOc1ccc([S@@](=O)O)c2ccccc12 125986648 VEAFRYLWMQNPNT-UHFFFAOYSA-N 236.292 2.819 0 50 BFAA C=CC(=O)N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 135758563 YBIUHEWITUKHPU-GBIKHYSHSA-N 207.317 2.503 0 50 BFAA C[Si](C)(C)C(F)(F)C(F)(F)n1ccnc1 195756275 FRHKSKVCAHDYBD-UHFFFAOYSA-N 240.276 2.945 0 50 BFAA Fc1ccc2nc(-c3ccc(F)nc3)[nH]c2c1 206124574 YONUVKLVBWMUSR-UHFFFAOYSA-N 231.205 2.903 0 50 BFAA Brc1ncn(C2CCCCC2)n1 216630293 YJQMGWQFGMVEIP-UHFFFAOYSA-N 230.109 2.546 0 50 BFAA OCc1ccc(Cl)c(Br)c1F 224683511 ZTRDPYMNGHIYHD-UHFFFAOYSA-N 239.471 2.734 0 50 BFAA CC[C@H](C)N(C(=O)[C@@H]1CCO[C@H]1C)[C@H](C)CC 242346951 ZKNSKAIPTUAXLN-QNWHQSFQSA-N 241.375 2.837 0 50 BFAA O=C(O)c1nc2cccc(F)c2n1CC1CCC1 255188165 ITZUZABFZNRHMV-UHFFFAOYSA-N 248.257 2.674 0 50 BFAA Cc1cc(O)ccc1NC(=O)CC(C)(F)F 277274120 HOZXQPGYQDKGLX-UHFFFAOYSA-N 229.226 2.684 0 50 BFAA C[C@@H](c1ccc(CO)cc1)C(F)(F)F 299805368 KLTPDDQSEXJDEL-ZETCQYMHSA-N 204.191 2.845 0 50 BFAA CCCCN(CCCC)C(=O)/C=C/c1ncc[nH]1 328599253 QXIVXVLXBOZEJC-BQYQJAHWSA-N 249.358 2.852 0 50 BFAA C=CC(=O)N[C@@H](c1ccccc1F)C(C)C 1353214761 GWKLMTHAIBGJEJ-CYBMUJFWSA-N 221.275 2.825 0 50 BFAA C=CC(=O)N[C@H](Cc1ccccc1)c1ccco1 1776002937 NLIUYFVJJUPXRK-CYBMUJFWSA-N 241.290 2.866 0 50 BFAA COc1ccc([C@@H](N)c2ccccc2)cc1 74815 MXDBCXKVTJDKNP-AWEZNQCLSA-N 213.280 2.743 0 50 BFAA in-vitro Nc1snnc1-c1ccc(C(F)(F)F)cc1 161940 URPRRYYGDXSCNR-UHFFFAOYSA-N 245.229 2.806 0 50 BFAA COc1ccc(CNC2CCCC2)cc1 263262 LVSGBNFVCJKBJD-UHFFFAOYSA-N 205.301 2.727 0 50 BFAA Cc1ccccc1C(=O)Nc1cccnc1 395834 OSYNRTXNFJOPPK-UHFFFAOYSA-N 212.252 2.642 0 50 BFAA Cc1ccc(/C=C/C(=O)Nc2cc(C)on2)cc1 476540 KTIRLSQWNNDYJT-BQYQJAHWSA-N 242.278 2.943 0 50 BFAA aggregator CC1CCN([C@@H](C(=O)O)c2ccccc2)CC1 811643 VNTKWWYECZGMLP-CYBMUJFWSA-N 233.311 2.544 0 50 BFAA COc1ccc2[nH]cc(C3CCNCC3)c2c1 2001203 KRDQQMGVPDMSNR-UHFFFAOYSA-N 230.311 2.644 0 50 BFAA in-vitro C1CCC(Nc2nnnn2C2CCCCC2)CC1 2473038 OUHRGNZCIPEWCP-UHFFFAOYSA-N 249.362 2.923 0 50 BFAA Cc1cc(C(F)(F)F)nc2cc(C3CC3)nn12 2732333 WXQMIOXIOUKUTJ-UHFFFAOYSA-N 241.216 2.934 0 50 BFAA CC(=O)c1sc(NCc2ccccc2)nc1N 4771991 NYQJDIXUJUILLX-UHFFFAOYSA-N 247.323 2.540 0 50 BFAA Cc1ccccc1CN1CCCC[C@@H]1CCO 23115227 DIECOASWSBXCCB-OAHLLOKOSA-N 233.355 2.732 0 50 BFAA Fc1nccc(Br)c1Cl 35569356 UMQBGWKWOLRROL-UHFFFAOYSA-N 210.433 2.637 0 50 BFAA in-vitro CCOC(=O)c1ccc(-c2ccccn2)s1 44200385 WKAOVXQAMNURHS-UHFFFAOYSA-N 233.292 2.987 0 50 BFAA O=C(O)c1cn(CCCCCO)c2ccccc12 51021440 ZCWYUPUVKMTKDB-UHFFFAOYSA-N 247.294 2.502 0 50 BFAA in-vitro C[C@H]1CCC[C@]2(C1)NC(=O)c1ccccc1N2 66128177 QFNGBFKANBGZQH-IINYFYTJSA-N 230.311 2.748 0 50 BFAA CCc1cc(O)ccc1NC(=O)[C@@H]1C[C@H]1C 191014946 GPUSEFGLBZWAAO-LDYMZIIASA-N 219.284 2.549 0 50 BFAA Cc1cc(C)cc(C(=O)N2CCCSC2)c1 952876999 KFYMXHUXEWWIFQ-UHFFFAOYSA-N 235.352 2.840 0 50 BFAA Cc1ccncc1-c1ccc2c(c1)NC(=O)NC2 1239975579 YVIPPRWUUSOFRJ-UHFFFAOYSA-N 239.278 2.692 0 50 BFAA C[C@H]1C[C@@H]1C(=O)NCCc1ccc(Cl)cc1 372123 JLDUFFNPANUXPU-CABZTGNLSA-N 237.730 2.655 0 50 BFAA CC(=O)NCc1csc(-c2cccc(C)c2)n1 6741270 XTCATEDYBIJXRN-UHFFFAOYSA-N 246.335 2.755 0 50 BFAA CN[C@@H](C)c1ccc(Br)cc1 20264096 TVQBCTRZCIYCJB-ZETCQYMHSA-N 214.106 2.730 0 50 BFAA COCCCNc1ccc(C(F)(F)F)cn1 20638280 VZHLAGPPUWDJDR-UHFFFAOYSA-N 234.221 2.549 0 50 BFAA CCOc1ccc(NC(=O)c2coc(C)n2)cc1 22538208 XUNKXWBOPLGIRF-UHFFFAOYSA-N 246.266 2.634 0 50 BFAA Cc1nc(C(=O)NCCC2=CCCCC2)co1 22606277 CYRVWHVRFQOSSK-UHFFFAOYSA-N 234.299 2.603 0 50 BFAA Cc1[nH]c2nccnc2c1-c1ccccc1 32237743 XGSGYOBYGOZIRN-UHFFFAOYSA-N 209.252 2.933 0 50 BFAA CCOC(=O)c1cc(Cl)cc(Cl)c1O 39234717 SUGDTRDGSCWRGF-UHFFFAOYSA-N 235.066 2.876 0 50 BFAA COc1ncccc1-n1ccnc1C(C)(C)C 72159088 RAFDAIWFOZDLBN-UHFFFAOYSA-N 231.299 2.573 0 50 BFAA Cc1nc(C)c(C(=O)N[C@H]2CC[C@@H]3CCC[C@@H]32)o1 77506076 LJCBJNGQKVYPIJ-SRVKXCTJSA-N 248.326 2.600 0 50 BFAA CO[C@](C)(c1ccc(N)cc1)C(F)(F)F 149209768 SJVSSIYPUJMARQ-SECBINFHSA-N 219.206 2.693 0 50 BFAA CN(Cc1ccn[nH]1)Cc1cccc2[nH]ccc12 215683597 DEXALBJUMTZQLF-UHFFFAOYSA-N 240.310 2.523 0 50 BFAA COC(=O)c1cnc(C(F)(F)F)c(Cl)c1 238327812 FHHJFYADOXLDNX-UHFFFAOYSA-N 239.580 2.540 0 50 BFAA C[S@@](=O)/C(Cl)=C/c1cccs1 252508108 XDCGAOUMMVCFIZ-OKPNEXGHSA-N 206.719 2.664 0 50 BFAA CCCCOc1ncc(C(F)(F)F)cc1O 261493929 MBPBCWRVJBWEDP-UHFFFAOYSA-N 235.205 2.985 0 50 BFAA N[C@H](c1ccccc1)C1(CO)CCCCC1 328579611 RHSYYPIQBHUJEE-CYBMUJFWSA-N 219.328 2.629 0 50 BFAA Cc1cc(F)cc(-c2ccc(=NC3CC3)[nH]n2)c1 426425134 CONHKWJHDCUKID-UHFFFAOYSA-N 243.285 2.587 0 50 BFAA O=Cc1cc(S)ccc1Br 669372661 VVIXWUZCKLREKU-UHFFFAOYSA-N 217.087 2.550 0 50 BFAA C[C@@H](NC(=O)Cc1cccnc1)C1=CCCCC1 827989671 RFYQIXYOBNDOGV-GFCCVEGCSA-N 244.338 2.629 0 50 BFAA COc1cccc(C(=O)N[C@H]2C=CCCC2)c1C 1331019493 UFGQGHDLQWSRJP-LBPRGKRZSA-N 245.322 2.842 0 50 BFAA CCCO[C@@H]1CCCN(c2ccncc2F)C1 1506416016 CUBATWUROCBYSS-LLVKDONJSA-N 238.306 2.616 0 50 BFAA C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(F)cc2)C1 29760 JGSLWDATJNUNQD-GHMZBOCLSA-N 235.302 2.944 0 50 BFAA C[C@H](NC(=O)[C@H]1CC1(C)C)c1ccccc1 50110 WXZNHQPOEMNFDV-CMPLNLGQSA-N 217.312 2.910 0 50 BFAA COc1cccc(NC(=O)C(C)(C)C)c1 133108 DAFHCFQPQMYDFI-UHFFFAOYSA-N 207.273 2.680 0 50 BFAA in-vitro Cc1cc(N)ccc1NC(=O)OC(C)(C)C 2547915 HSZKDVSZYCRBEC-UHFFFAOYSA-N 222.288 2.924 0 50 BFAA in-vitro CCCCc1ccc(NC(=O)COC)cc1 2735132 CGTKVNGEMXUELC-UHFFFAOYSA-N 221.300 2.614 0 50 BFAA CC(C)OC[C@H](O)CSCc1ccccc1 2874930 FLECVQUDZRZHPP-ZDUSSCGKSA-N 240.368 2.706 0 50 BFAA CCCCCC[C@@H](C(=O)OC)c1ccno1 4038343 JAMJBCJOAAUFPR-SNVBAGLBSA-N 225.288 2.902 0 50 BFAA Fc1ccccc1OCCN1CCCCC1 4989931 MUBKBIGCRROAOW-UHFFFAOYSA-N 223.291 2.690 0 50 BFAA NC(=O)c1ccc(OCc2ccc(F)cc2)cc1 10031529 KYFVQTLQFWOEDC-UHFFFAOYSA-N 245.253 2.504 0 50 BFAA CSc1ccccc1C(=O)[C@@H]1CCCN(C)C1 12701563 WGQLHOKXEDSULX-LLVKDONJSA-N 249.379 2.933 0 50 BFAA COc1ccc([C@@](C)(N)c2ccccc2)cc1 35287565 DBCCNOAPKJBEHN-HNNXBMFYSA-N 227.307 2.917 0 50 BFAA in-vitro Cc1cc2cn(C)nc2cc1Br 36533462 IWQKNWIRYSQPQG-UHFFFAOYSA-N 225.089 2.644 0 50 BFAA in-vitro NCc1cc(F)ccc1OCc1ccccc1 37237034 NDOHRIIEQFBCLX-UHFFFAOYSA-N 231.270 2.863 0 50 BFAA in-vitro CN(C)Cc1ccc(Br)cc1F 42205928 RVBVGSSIQVBEDT-UHFFFAOYSA-N 232.096 2.650 0 50 BFAA in-vitro O=C(O)C1(c2ccccc2Cl)CCC1 44269657 YYPGGXSABCALFA-UHFFFAOYSA-N 210.660 2.846 0 50 BFAA in-vitro c1ccc2c(CN3CCSCC3)ccnc2c1 55291871 RVBOHUAZGBOKBM-UHFFFAOYSA-N 244.363 2.784 0 50 BFAA CNC(=O)c1cccc(-c2ccc(O)c(C)c2)c1 65340459 ONUQUZSJRGABNW-UHFFFAOYSA-N 241.290 2.727 0 50 BFAA Brc1ccc([C@@H]2CCOC2)cc1 72193145 JAVFDQBREKPGPG-SECBINFHSA-N 227.101 2.953 0 50 BFAA in-vitro COc1ccc(-c2csc(=O)s2)cc1 196113575 ZZTKWGSPGUXSEQ-UHFFFAOYSA-N 224.306 2.845 0 50 BFAA COC(=O)c1cc(Cl)nc(C(F)(F)F)c1 238360452 PPPKCVBFGSHQKD-UHFFFAOYSA-N 239.580 2.540 0 50 BFAA in-vitro CCc1nccn1CCN(C)C(C1CC1)C1CC1 244831532 UFMSNQZAXNPHKP-UHFFFAOYSA-N 247.386 2.566 0 50 BFAA CC(C)(C)OC(=O)N1CCC2(CC=CC2)C1 261508274 QYRFRMBXCOMEDH-UHFFFAOYSA-N 223.316 2.964 0 50 BFAA CC1(C)OCC[C@@H]1NCCCNc1ccccc1 293759616 OUQPTJKVAYGELL-AWEZNQCLSA-N 248.370 2.646 0 50 BFAA c1ccc2nc(N3C[C@H]4CC[C@H]3C4)cnc2c1 363960852 GESFUUKJGJLBFA-QWRGUYRKSA-N 225.295 2.619 0 50 BFAA Cc1ncccc1-c1ccc(C(=O)O)cc1 715222696 WBZAYUFVABWZLW-UHFFFAOYSA-N 213.236 2.755 0 50 BFAA CCC1CC(N[C@@H]2CCc3c(cnn3CC)C2)C1 2325788572 PFYPFGDWXLZOMQ-HRDQMINSSA-N 247.386 2.539 0 50 BFAA Nc1ccccc1NC(=O)c1cccnc1Cl 166880 LCSCTFTVNQPHTC-UHFFFAOYSA-N 247.685 2.570 0 50 BFAA CC1(C)Cc2nc3ccccc3c(N)c2[C@@H](O)C1 190785 PRLZBYKCDLTUIG-LBPRGKRZSA-N 242.322 2.823 0 50 BFAA C/C=C(\C)CN1CCN(c2ccc(F)cc2)CC1 219618 CPKWFXXWWLXACO-QLKAYGNNSA-N 248.345 2.914 0 50 BFAA CCOc1ccc(OCC)c(OCC)c1 394571 MTXHYYFYFLXUEN-UHFFFAOYSA-N 210.273 2.883 0 50 BFAA in-vitro CNC(=O)Oc1ccc(Cl)cc1Cl 398384 QPXYEFQTSZQARV-UHFFFAOYSA-N 220.055 2.712 0 50 BFAA CCCCn1cnc2sc(C)c(C)c2c1=O 1775286 URODODONHWZCRH-UHFFFAOYSA-N 236.340 2.875 0 50 BFAA Cc1ccc(Cl)c(OCCN(C)C)c1 4912911 YCADQQLQJVMUOB-UHFFFAOYSA-N 213.708 2.589 0 50 BFAA Oc1nc(-c2ccccc2)cc(C(F)(F)F)n1 8577617 XQQSFWKOCNZPPF-UHFFFAOYSA-N 240.184 2.868 0 50 BFAA Cc1ccc(C)c(OC(C)(C)C(=O)O)c1 8730712 UHNQBMHNYDFJKX-UHFFFAOYSA-N 208.257 2.545 0 50 BFAA O=Cc1ccc(Sc2ccccn2)o1 11535888 NWJZBQDKKLHSBP-UHFFFAOYSA-N 205.238 2.638 0 50 BFAA in-vitro CC(=O)Nc1nc(-c2cccs2)cs1 17208899 FTTSLLHZAUHMCX-UHFFFAOYSA-N 224.310 2.830 0 50 BFAA COc1ccccc1-c1ncc(C=O)s1 19088534 SNBBZSLDMOLYHA-UHFFFAOYSA-N 219.265 2.631 0 50 BFAA in-vitro COc1ccc(-c2ncnc3ccsc23)cn1 32581021 DPYUTUYLMCHLKJ-UHFFFAOYSA-N 243.291 2.762 0 50 BFAA Cc1cc2[nH]cnc2cc1Br 62152741 ZQHHVSZEBVWTRO-UHFFFAOYSA-N 211.062 2.634 0 50 BFAA in-vitro Cc1c(C(=O)O)ccc(Br)c1F 67802610 BVAPYHANHITQQW-UHFFFAOYSA-N 233.036 2.595 0 50 BFAA in-vitro CCCCNCc1cc(=O)c2cc(F)ccc2[nH]1 77406023 IFKCJPHOPCBMFG-UHFFFAOYSA-N 248.301 2.557 0 50 BFAA Nc1cc(Cl)ccc1C(=O)C(F)(F)F 95917790 ROHPKDIGFIATBS-UHFFFAOYSA-N 223.581 2.667 0 50 BFAA in-vitro Nc1ccc2c(c1)CC[C@H](N1CCCC1)CC2 113896524 QYLOOOSMNDHSEP-OAHLLOKOSA-N 230.355 2.612 0 50 BFAA Cc1cc(O)c(Cc2ccccc2)c(O)c1 201145274 ZFCIYTKKUVTVNC-UHFFFAOYSA-N 214.264 2.997 0 50 BFAA C=CC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1 1335860276 LWNHZIBBXMBHGA-DGCLKSJQSA-N 215.296 2.782 0 50 BFAA CCc1cnc(C)nc1NCC[C@@H]1CCCOC1 1704298749 JNEAJVMOAMMDCB-LBPRGKRZSA-N 249.358 2.576 0 50 BFAA Cc1cc(Cn2ccnc2C2CCCC2)no1 1875239940 ANCDFTLQLSYJHG-UHFFFAOYSA-N 231.299 2.885 0 50 BFAA CCCc1ncc([C@H](O)c2ccc(C)cc2)n1C 170143 HBXMZDAHOUFAFK-OAHLLOKOSA-N 244.338 2.763 0 50 BFAA CCSC(=O)c1cc2ccccc2oc1=O 270862 VLOZXPZNYWAUFB-UHFFFAOYSA-N 234.276 2.686 0 50 BFAA O=C(COc1ccccc1)Nc1ccccc1F 299548 BKJSJTRIBAMHLP-UHFFFAOYSA-N 245.253 2.843 0 50 BFAA CC[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 372610 BUBOTXCWDHNELW-VIFPVBQESA-N 219.284 2.874 0 50 BFAA O=C(Cc1ccc(F)cc1)N1CCCCCC1 860155 GQGYIULBDFLSNO-UHFFFAOYSA-N 235.302 2.771 0 50 BFAA biogenic Cc1nc(NCc2ccccc2)sc1C(=O)O 873575 CZHJAIHKSZKTAU-UHFFFAOYSA-N 248.307 2.762 0 50 BFAA NC[C@@H](c1ccco1)c1c[nH]c2ccccc12 1504762 YQRCKSCFVFNUKA-LLVKDONJSA-N 226.279 2.852 0 50 BFAA O=c1[nH]cnc2c(-c3ccc(F)cc3)csc12 2541400 FCWQPDHLEHUWSF-UHFFFAOYSA-N 246.266 2.791 0 50 BFAA CCC(=O)Nc1cccc(N(CC)C(=O)CC)c1 5307401 DUERITBXWMPNSE-UHFFFAOYSA-N 248.326 2.798 0 50 BFAA C[C@H](Oc1ccc(-c2ccccc2)cc1)C(N)=O 6065879 STCHCGPEWJVZAA-NSHDSACASA-N 241.290 2.606 0 50 BFAA COc1cc2ccccc2cc1C(=O)NC1CC1 8035010 RDIDOILRSLXIDX-UHFFFAOYSA-N 241.290 2.741 0 50 BFAA N[C@@H](Cc1ccccc1)Cc1ccc(F)cc1 11600002 MBARARFHNYYNQD-HNNXBMFYSA-N 229.298 2.938 0 50 BFAA CC(=O)Nc1ccc2[nH]c3c(c2c1)CCCC3=O 12364431 MNYGHNNHEJLTLX-UHFFFAOYSA-N 242.278 2.645 0 50 BFAA COc1cc(CNC(C)C)ccc1OC(C)C 12382637 XDDZSKYYBAWQSD-UHFFFAOYSA-N 237.343 2.980 0 50 BFAA CC(=O)c1nc(-c2ccccc2)[nH]c1C 13239091 RAFHDKLDMHYNOT-UHFFFAOYSA-N 200.241 2.588 0 50 BFAA in-vitro Sc1nc2cc(Cl)ccc2c2ccnn12 15107601 UPOFSFKRDJRHTQ-UHFFFAOYSA-N 235.699 2.825 0 50 BFAA CC(C)(C)c1nc(-c2ccc(C(=O)O)cc2)no1 34924974 MBIYSPGKWLJPCI-UHFFFAOYSA-N 246.266 2.732 0 50 BFAA COc1ccc2cc(-c3ncn[nH]3)ccc2c1 39510033 RKLVBDBVMJWMLB-UHFFFAOYSA-N 225.251 2.634 0 50 BFAA CCSc1ncccc1Br 42376532 VMDCZCBFYHHCLY-UHFFFAOYSA-N 218.119 2.956 0 50 BFAA FC(F)(F)c1ccnc(-c2cncnc2)c1 65435556 URBJTBQRPACVNU-UHFFFAOYSA-N 225.173 2.557 0 50 BFAA Fc1ccc(-c2ccnc(N3CCCC3)n2)cc1 67320828 FLUPFZJHJBAQBC-UHFFFAOYSA-N 243.285 2.883 0 50 BFAA COc1cccc(OC2CN(CC=C(C)C)C2)c1 72153923 PPOWZPUOSRGXLS-UHFFFAOYSA-N 247.338 2.724 0 50 BFAA Brc1cccc2c1[C@H]1C[C@H]1CN2 91692570 OOPYDFSMULRLQF-BQBZGAKWSA-N 224.101 2.978 0 50 BFAA COc1ccc(-c2nc(C3CCC3)n[nH]2)cc1F 96161030 MBOBSCUVXGCZDT-UHFFFAOYSA-N 247.273 2.887 0 50 BFAA COc1ccc([C@H](C)N(C)Cc2ncc[nH]2)cc1 109828324 XQKHQVQWCCOFLQ-NSHDSACASA-N 245.326 2.611 0 50 BFAA Cc1cccc(NC(=O)CN2[C@@H](C)CC[C@H]2C)c1 120131165 JUXLVTRBXCBTHN-BETUJISGSA-N 246.354 2.806 0 50 BFAA Cc1ccc(-c2ccc(Cl)cc2)c[n+]1[O-] 144494522 GUOBNBMZLBTQOI-UHFFFAOYSA-N 219.671 2.949 0 50 BFAA Cc1cc2c(cc1Br)C(=O)CC2 149009953 BDDRYMCLHQDWCG-UHFFFAOYSA-N 225.085 2.886 0 50 BFAA CC1=C[C@H](C)[C@@H](C2N3CCCN2CC3)[C@@H](C)C1 226763555 HFPVWFVWBIWBRP-MELADBBJSA-N 234.387 2.572 0 50 BFAA Clc1cnc(C2CCNCC2)c(Cl)c1 238555339 CNSNZFUAZVYTPN-UHFFFAOYSA-N 231.126 2.855 0 50 BFAA Oc1ccnc(Br)c1C(F)(F)F 238728542 OBBXAMOCSLBHRS-UHFFFAOYSA-N 241.994 2.569 0 50 BFAA O=C1NC[C@@H](CSc2ccc(Cl)cc2)O1 298188131 JYQMEDQCTBXANA-QMMMGPOBSA-N 243.715 2.541 0 50 BFAA O=C(O)c1cc2c(F)ccc(F)c2s1 306829323 HKFZAAINGJZEFM-UHFFFAOYSA-N 214.192 2.878 0 50 BFAA N=c1sccn1Cc1cccc2cccnc12 334157740 RQZYYEWIKRSPEM-UHFFFAOYSA-N 241.319 2.626 0 50 BFAA OCCN1CCC[C@H]1[C@H]1CCCc2ccccc21 371884959 XGAVHBZTBKGHJF-HOTGVXAUSA-N 245.366 2.563 0 50 BFAA CC(=O)c1cn(-c2cc(F)cc(F)c2)nc1C 575602944 XNPOLOKMIZAECE-UHFFFAOYSA-N 236.221 2.662 0 50 BFAA CCc1cn2nc(Cl)cc(Cl)c2n1 1772716438 SGURDFGERXJEKP-UHFFFAOYSA-N 216.071 2.599 0 50 BFAA COC(=O)c1sc(-c2ccccc2)cc1N 80609 QESSCNMSOLRYBO-UHFFFAOYSA-N 233.292 2.784 0 50 BFAA in-vitro Cc1cc(C)nc(NC2CCCCC2)n1 150092 HCRGPKXECBTJHH-UHFFFAOYSA-N 205.305 2.838 0 50 BFAA CNCC1(c2ccc(OC)c(OC)c2)CCCC1 290099 VBHBOLQZPJWXRI-UHFFFAOYSA-N 249.354 2.735 0 50 BFAA biogenic Cc1cc(Cl)ccc1NC(=O)NC1CC1 399261 VSPKJIBVHRHJOB-UHFFFAOYSA-N 224.691 2.932 0 50 BFAA O=C1OCC[C@@H]1Sc1cccc2cccnc12 617191 FZSIUQSONPUERC-NSHDSACASA-N 245.303 2.642 0 50 BFAA c1csc(-c2noc(-c3ccncc3)n2)c1 1421834 GMGSSLHPYHRBLM-UHFFFAOYSA-N 229.264 2.860 0 50 BFAA O=C(O)CCCCCCCCCCCO 1531061 ZDHCZVWCTKTBRY-UHFFFAOYSA-N 216.321 2.964 0 50 BFAA endogenous,in-man COc1c(F)cc(F)cc1Br 2545227 MFXWQGHKLXJIIP-UHFFFAOYSA-N 223.016 2.736 0 50 BFAA biogenic,in-vitro CCCNC(=O)N1CC=C(c2ccccc2)CC1 2840805 WQIDTCBVPBUWMI-UHFFFAOYSA-N 244.338 2.895 0 50 BFAA CCn1c(-c2ccc(OC)cc2)n[nH]c1=S 5686874 NAIPWRRJIAVUOG-UHFFFAOYSA-N 235.312 2.636 0 50 BFAA Nc1ccc(-c2nc(O)c3ccccc3n2)cc1 17060408 PHQBXCTZDRMXMX-UHFFFAOYSA-N 237.262 2.585 0 50 BFAA in-vitro CCOC(=O)/C=C\c1ccc(OCC)cc1 17326018 XFRWZVXVZIQXFI-YFHOEESVSA-N 220.268 2.662 0 50 BFAA CCOC(=O)c1cc(F)cc(Br)c1 35430872 NXLQOVWASVDMHM-UHFFFAOYSA-N 247.063 2.765 0 50 BFAA in-vitro O=c1[nH]cccc1-c1ccc(F)cc1Cl 67787078 MLQRZIKTVANCLO-UHFFFAOYSA-N 223.634 2.834 0 50 BFAA c1ccc(-c2ccc(N3CCOCC3)nc2)cc1 230524467 RFQVLAZMIAGWEB-UHFFFAOYSA-N 240.306 2.585 0 50 BFAA COCc1cnc(NC(=O)OC(C)(C)C)s1 306723810 STDOLIFWQGEZIY-UHFFFAOYSA-N 244.316 2.637 0 50 BFAA O=C(Nc1ccsc1)N[C@H]1CC[C@H](F)C1 334237672 LZOCVMAMZXCFGM-YUMQZZPRSA-N 228.292 2.760 0 50 BFAA C=CC(=O)NCc1ccnc(-c2ccccc2)c1 585124770 RGBFUPXHILZEEB-UHFFFAOYSA-N 238.290 2.551 0 50 BFAA COc1cccc(C(=O)N[C@@H]2C=CCCC2)c1C 1331019491 UFGQGHDLQWSRJP-GFCCVEGCSA-N 245.322 2.842 0 50 BFAA Cc1ccc(C2(C(=O)O)CCCC2)cc1 315621 YKDWTRWSHHGVII-UHFFFAOYSA-N 204.269 2.891 0 50 BFAA Cc1ccccc1NC(=O)N1C[C@@H](C)O[C@H](C)C1 396866 GQXRSWYTAIVGBK-VXGBXAGGSA-N 248.326 2.636 0 50 BFAA Cc1cc(F)c(F)cc1C(=O)N1CCCCC1 437934 PEKALMPAAJZXMN-UHFFFAOYSA-N 239.265 2.899 0 50 BFAA COc1ccc(-c2ccc(CC(=O)O)cc2)cc1 1259047 KJOHEDXEFMKOEF-UHFFFAOYSA-N 242.274 2.989 0 50 BFAA in-vitro CC(C)Cc1nn(-c2ccccc2)cc1C=O 1422330 YTPBEOKDVWZQDB-UHFFFAOYSA-N 228.295 2.883 0 50 BFAA Cc1cc(N)nn1Cc1c(F)cccc1Cl 2537768 QEQIDLPZGDGMTK-UHFFFAOYSA-N 239.681 2.615 0 50 BFAA O=Cc1ccc(-c2ccc(Cl)nn2)cc1 2563760 ONXNMPPQTHFGTJ-UHFFFAOYSA-N 218.643 2.610 0 50 BFAA in-vitro COc1cccc(C=O)c1OC1CCCC1 4511167 KVYXIZHHZDPYQE-UHFFFAOYSA-N 220.268 2.829 0 50 BFAA CCCCCNC(=O)c1ccc(OC)cc1 4616904 YHLVBYOVEHMCPI-UHFFFAOYSA-N 221.300 2.615 0 50 BFAA biogenic C[C@H](Oc1c(Cl)cccc1Cl)C(=O)O 6007556 JTSKVVDMNKQPAO-YFKPBYRVSA-N 235.066 2.845 0 50 BFAA in-vitro Nc1ccc(-c2ccccc2)cc1C(=O)O 6269759 MUJQJJYAAYPRHQ-UHFFFAOYSA-N 213.236 2.634 0 50 BFAA in-vitro COC(=O)[C@H](C)Oc1cccc(C(F)(F)F)c1 6521060 JDKIVMBNEYBNAT-ZETCQYMHSA-N 248.200 2.646 0 50 BFAA Cc1nc2sc(-c3ccccc3)cc2c(=O)[nH]1 8580325 MNZUXCCLJPAXEP-UHFFFAOYSA-N 242.303 2.960 0 50 BFAA COc1ccc(C(=O)Nc2cccc(N)c2)cc1 10300748 YNHZHCDOSUFTIW-UHFFFAOYSA-N 242.278 2.530 0 50 BFAA CCCN(CCC)c1cc(Cl)ncn1 15021403 YXNOZPKYQOLASD-UHFFFAOYSA-N 213.712 2.756 0 50 BFAA CC12CN3CC(C)(CN(C1)C3c1ccccc1)C2 19322740 UNBLHIWSJSBMRS-UHFFFAOYSA-N 242.366 2.733 0 50 BFAA NCCCSCc1ccccc1Cl 21953314 NUFPWMPRCOPOFI-UHFFFAOYSA-N 215.749 2.922 0 50 BFAA in-vitro O=C1CCC(OCc2ccccc2)CC1 34590289 FFGVIYUANJAFJS-UHFFFAOYSA-N 204.269 2.715 0 50 BFAA in-vitro C[C@@H]1C(=O)C[C@@H](c2ccco2)N[C@@H]1c1ccco1 34685101 ODBXCYFSKSAVDY-BFVZDQMLSA-N 245.278 2.854 0 50 BFAA O=C1CCN(Cc2ccc(Cl)cc2)CC1 57211713 ZCTWGHYTGOWQSN-UHFFFAOYSA-N 223.703 2.505 0 50 BFAA in-vitro Cc1cc(F)ccc1-c1nc([C@@H]2CCOC2)no1 96141440 OUABYBHJOHADTF-SECBINFHSA-N 248.257 2.688 0 50 BFAA CN1CCCN(CC2=CC[C@H]3C[C@H]2C3(C)C)CC1 100415939 BBENGLXYHDKPHE-LSDHHAIUSA-N 248.414 2.616 0 50 BFAA Brc1ccc(-c2cncnc2)cc1 114999125 GJBAOBLGEYEVMJ-UHFFFAOYSA-N 235.084 2.906 0 50 BFAA Cc1nc2cc(F)cc(Br)c2n1C 217049550 QHGFZYKKEKWZGQ-UHFFFAOYSA-N 243.079 2.783 0 50 BFAA C[C@@H]1C[C@@H]1C(=O)N[C@H]1CCCc2ccccc21 249337122 QZVGYNJPPGFSHV-SWHYSGLUSA-N 229.323 2.836 0 50 BFAA CC(C)(C)CCCN1CCC(C(=O)O)CC1 261530732 WBVUGTGPPJXGPI-UHFFFAOYSA-N 227.348 2.609 0 50 BFAA Cc1nc(CN(CC(F)(F)F)C2CC2)[nH]c1C 585136265 YLHDIHITHADUJJ-UHFFFAOYSA-N 247.264 2.553 0 50 BFAA COc1ccc(CNC(=O)[C@H]2CCC2(C)C)cc1 665124623 AJHAIQFDFNPSDE-CYBMUJFWSA-N 247.338 2.748 0 50 BFAA c1ccc2c([C@H]3CCCCO3)n[nH]c2c1 1772718292 QQLGVJIHOHBHQR-LLVKDONJSA-N 202.257 2.805 0 50 BFAA C=CC(=O)Nc1ccc(C)c(-n2cccc2)c1 1772718362 UFJSXMHQFUOKIG-UHFFFAOYSA-N 226.279 2.910 0 50 BFAA CC[C@@H](O)c1ccc(-c2cncc(O)c2)cc1 1875246788 APSKDURPMLNRJL-CQSZACIVSA-N 229.279 2.898 0 50 BFAA Nc1cccnc1Oc1ccc(F)cc1F 93337 LCPVQAHEFVXVKT-UHFFFAOYSA-N 222.194 2.734 0 50 BFAA biogenic,in-vitro Cc1cc(Cl)c(Cl)cc1S(C)(=O)=O 154139 ARAQCAZLGMKNLZ-UHFFFAOYSA-N 239.123 2.705 0 50 BFAA O=C(NC1CCCC1)[C@@H]1C[C@@H]1c1ccccc1 182973 WNIHXHZBQPHZTC-ZIAGYGMSSA-N 229.323 2.849 0 50 BFAA Cc1nccc(Sc2ccccc2)n1 331349 YIJQMPYWEQXUOL-UHFFFAOYSA-N 202.282 2.936 0 50 BFAA O=C(Nc1ccon1)c1ccc(Cl)s1 1054840 IFIOPSZTUMUTHG-UHFFFAOYSA-N 228.660 2.642 0 50 BFAA COC(=O)c1cc2c(C)ccc(C)c2[nH]1 2534076 YZQUXXYSYNUUGT-UHFFFAOYSA-N 203.241 2.571 0 50 BFAA in-vitro NC(=S)COc1ccc(Cl)cc1Cl 2555668 AGDXYFYNDRKKSF-UHFFFAOYSA-N 236.123 2.658 0 50 BFAA in-vitro CC[C@H](C)NC(=O)[C@H]1C[C@@H]1c1ccccc1 3110507 LUMDRWWSKDYVFI-UHTWSYAYSA-N 217.312 2.705 0 50 BFAA Nc1cc(Br)ccc1Cl 4716587 UGOLEPGQWYPIBR-UHFFFAOYSA-N 206.470 2.685 0 50 BFAA in-vitro Cc1ccoc1C(=O)Nc1ccccc1C(=O)O 4851365 PRIZKRWQTVWBFL-UHFFFAOYSA-N 245.234 2.539 0 50 BFAA CCc1ccc(C(=O)Nc2cc(C)on2)cc1 8383011 LVGWLEBMSRXQPG-UHFFFAOYSA-N 230.267 2.798 0 50 BFAA O=C1Nc2ccc(Br)cc2CO1 14007930 SSTOTANBGDRSRF-UHFFFAOYSA-N 228.045 2.511 0 50 BFAA in-vitro Cc1cc(=O)[nH]c2ccc(-c3cccnc3)cc12 26184468 HXIMBQGWYHZWHH-UHFFFAOYSA-N 236.274 2.899 0 50 BFAA Cc1n[nH]c2c(Br)cccc12 36533422 WCDHQZBKTKFKRJ-UHFFFAOYSA-N 211.062 2.634 0 50 BFAA in-vitro Nc1ccc(C(=O)O)c(-c2ccccc2)c1 60255961 KDPVECKHWIOFNR-UHFFFAOYSA-N 213.236 2.634 0 50 BFAA in-vitro Nc1cc(-c2ccccc2)cc(Cl)n1 74204279 DEVDQGZCCYZPFV-UHFFFAOYSA-N 204.660 2.984 0 50 BFAA in-vitro Oc1ccc(C[C@H]2COc3ccccc3C2)nc1 91746109 WFJCDHPVAYLBCS-NSHDSACASA-N 241.290 2.581 0 50 BFAA OC1(CCCN2CCCC2)CCCCC1 96026979 KPPMOAITKLASEF-UHFFFAOYSA-N 211.349 2.558 0 50 BFAA Cn1cccc1[C@@H]1COCCN1[C@H]1C=CCCC1 189579479 CGVCALGOFTZFEH-ZFWWWQNUSA-N 246.354 2.507 0 50 BFAA CC[C@]1(CO)CCCN1C[C@@H]1CC=CCC1 221934988 OOUXLKWQIKSLMV-ZIAGYGMSSA-N 223.360 2.580 0 50 BFAA CCN(Cc1ccn(CC)n1)Cc1ccc(C)o1 252489589 JUKUAXYBHAKTIQ-UHFFFAOYSA-N 247.342 2.827 0 50 BFAA CN=c1cc(C)nc(/C=C/C2CCCCC2)[nH]1 426711303 KJWGIJDEACPPQL-CMDGGOBGSA-N 231.343 2.842 0 50 BFAA C=CC(=O)N1CC[C@@H](c2ccccc2)O[C@@H](C)C1 1776007129 JGMOYYVCKUFJHK-JSGCOSHPSA-N 245.322 2.551 0 50 BFAA CCCC[B-]1(CCCC)N[C@H](C)N[C@@H](C)N1 1848444177 SFHJIWKJGAXQNC-VXGBXAGGSA-N 226.197 2.503 0 50 BFAA CCOC(=O)c1sc(-c2ccccn2)nc1C 168427 UGCVLLXXBVTJPK-UHFFFAOYSA-N 248.307 2.690 0 50 BFAA CC(=O)c1ccc(-n2nncc2C(C)(C)C)cc1 192394 RJAKAKYIGDUYCG-UHFFFAOYSA-N 243.310 2.767 0 50 BFAA CS(=O)(=O)Nc1ccc(-c2ccccc2)cc1 387469 ZSBGJIPLRFDOJE-UHFFFAOYSA-N 247.319 2.725 0 50 BFAA Cc1cc(NC(=O)c2cc3ccccc3o2)no1 609036 AYOBUAXMJXIODE-UHFFFAOYSA-N 242.234 2.982 0 50 BFAA O=C(O)[C@@H](Nc1ccccc1)c1ccccc1 1666719 NFEVMRNCAGDLBK-ZDUSSCGKSA-N 227.263 2.924 0 50 BFAA Clc1nccc(Cc2ccccc2)n1 2523033 RWGQDQJALINEME-UHFFFAOYSA-N 204.660 2.721 0 50 BFAA Cc1cc(C)cc(I)c1 2528198 ZLMKEENUYIUKKC-UHFFFAOYSA-N 232.064 2.908 0 50 BFAA biogenic,in-vitro COC(=O)c1[nH]c2ccccc2c1-n1cccc1 4343468 KUCMXGNRHPZNOS-UHFFFAOYSA-N 240.262 2.745 0 50 BFAA CCn1cccc/c1=N\c1ccc(N(C)C)cc1 4773410 NAPCLSIFBJCYJP-FOCLMDBBSA-N 241.338 2.806 0 50 BFAA COc1ccc2[nH]c3c(=S)nc[nH]c3c2c1 5729827 NRHNFEIOZFBUID-UHFFFAOYSA-N 231.280 2.782 0 50 BFAA CC(=O)N1[C@@H](c2ccc[nH]2)CC[C@@H]1c1ccc[nH]1 6293691 FGFKZEQIPHTPSE-ZIAGYGMSSA-N 243.310 2.768 0 50 BFAA COC(=O)c1ccc(-c2cccnc2)cc1 6712780 SMXKPSLCRALELV-UHFFFAOYSA-N 213.236 2.535 0 50 BFAA CCNCCOc1c(C)cc(C)cc1C 6729059 MGHABKYFBGXCLJ-UHFFFAOYSA-N 207.317 2.600 0 50 BFAA C1=CC[C@H](CN2CCC[C@@H](c3ccn[nH]3)C2)CC1 12150539 QMHUOLWEAZBZEX-UONOGXRCSA-N 245.370 2.945 0 50 BFAA O=C1CCc2cccc(Br)c21 12649034 ZWEODBMKCBWTTQ-UHFFFAOYSA-N 211.058 2.578 0 50 BFAA in-vitro CCOC(=O)c1cc2c(Cl)cccc2[nH]1 26894257 XWNVSPGTJSGNPU-UHFFFAOYSA-N 223.659 2.998 0 50 BFAA in-vitro Fc1cccc(-c2noc([C@H]3CCCCN3)n2)c1 35660493 KBBZWQAPDQFBEM-LLVKDONJSA-N 247.273 2.690 0 50 BFAA Cc1cc(-c2ccccc2Cl)nc(N)n1 52837942 KLSJYOYBWDVDIE-UHFFFAOYSA-N 219.675 2.688 0 50 BFAA Cc1ccc(S(=O)(=O)c2ccccc2O)cc1 113547562 GRNCNZGRNOWBKC-UHFFFAOYSA-N 248.303 2.533 0 50 BFAA C[Si](C)(C)c1cccc(Br)c1 169875537 JXQZFRPARQBDKV-UHFFFAOYSA-N 229.193 2.994 0 50 BFAA in-vitro CC(=O)c1ccc(N[S@](=O)C(C)(C)C)cc1 200968032 LTUUDSULVPEBNL-MRXNPFEDSA-N 239.340 2.763 0 50 BFAA O=C1O[C@H]2[C@@H](Sc3ccccc3)[C@H]3C[C@H]2[C@H]1C3 215999783 BKQRLBIGHDNYAP-FXAPSIEYSA-N 246.331 2.729 0 50 BFAA CC(C)(C)C(=O)NC[C@@H]1CCCC1(F)F 334621439 QNOLEFOSXXDTOH-QMMMGPOBSA-N 219.275 2.584 0 50 BFAA CCC/C=C/c1c(C)nc2n[nH]c(N)c2c1C 426724036 UFIIOVOBOVOFSY-VOTSOKGWSA-N 230.315 2.970 0 50 BFAA COc1cccc(CN(C)CC[C@H]2CCOC2)c1 437583716 QCJLQOPIHQTZQI-ZDUSSCGKSA-N 249.354 2.554 0 50 BFAA Cc1cnc([C@H](C)NC(=O)C2C(C)(C)C2(C)C)[nH]1 534586384 CCSYWJBLKPUEST-VIFPVBQESA-N 249.358 2.578 0 50 BFAA O=Cc1ccc(F)c(OC(F)(F)F)c1F 604221706 XPVMCNNIRWNZCS-UHFFFAOYSA-N 226.100 2.676 0 50 BFAA O=Cc1sccc1-c1ccc(C(=O)O)s1 725261209 VUAKRHBLBFDALI-UHFFFAOYSA-N 238.289 2.987 0 50 BFAA C=CC(=O)N1CCCCc2ccc(OC)cc21 1338389638 MEVPXWRKSABCFI-UHFFFAOYSA-N 231.295 2.551 0 50 BFAA C1=C[C@@H](n2ccnc2-c2ncc[nH]2)CCC1 1875248147 ZGYTYVAAXGBCCG-SNVBAGLBSA-N 214.272 2.554 0 50 BFAA c1coc(CCn2ccnc2-c2ccco2)c1 1875249484 VSWYDOOKCWSTOF-UHFFFAOYSA-N 228.251 2.979 0 50 BFAA Cc1noc(C)c1Cc1ccc(O)cc1 169867 JIQYQBSFMDEVIJ-UHFFFAOYSA-N 203.241 2.588 0 50 BFAA in-vitro CC(C)c1ccc(NC(=O)N(C)C)cc1 392884 PUIYMUZLKQOUOZ-UHFFFAOYSA-N 206.289 2.904 0 50 BFAA biogenic,in-vitro CN(C)c1ccc2c(c1)[C@H](O)c1ccccc1-2 398917 MSIXALXXSRXADA-OAHLLOKOSA-N 225.291 2.815 0 50 BFAA CC(=O)CC(=O)Nc1ccc(Cl)c(Cl)c1 449437 BPAFBORSRKBCPI-UHFFFAOYSA-N 246.093 2.911 0 50 BFAA Cc1ccc(C(=O)Nc2ncc(C)s2)o1 1055619 SXCQYWUKVPPLGS-UHFFFAOYSA-N 222.269 2.605 0 50 BFAA O=C(O)COc1ccccc1-c1ccccc1 1448462 MAKUMOXHJKKTDP-UHFFFAOYSA-N 228.247 2.817 0 50 BFAA in-vitro CC(C)(C)NC(=O)C1(Br)CCCC1 2143303 NIPLZIHEDZRKSY-UHFFFAOYSA-N 248.164 2.609 0 50 BFAA Cc1ccsc1C(=O)N1CCC(C)CC1 2772536 XXYMXAQIGQFGII-UHFFFAOYSA-N 223.341 2.929 0 50 BFAA CCCCNCP(=O)(OCC)OCC 2831398 YPFMUGXBPOUDQQ-UHFFFAOYSA-N 223.253 2.600 0 50 BFAA CCCCCOC(=O)Nc1nccs1 3110058 ZESSJMDPEOUONX-UHFFFAOYSA-N 214.290 2.882 0 50 BFAA C[C@H]1C[C@H](Nc2ccccc2)[C@H](C)CN1C 4004595 ULQYBPZNWILIFK-DYEKYZERSA-N 218.344 2.827 0 50 BFAA O=C(/C=C/c1cccc(F)c1)N1CCCCC1 4542925 BTNSKNZABHFHQZ-BQYQJAHWSA-N 233.286 2.851 0 50 BFAA CCCNCc1cccc(Br)c1 6380489 NNTZFDZBCNIHRX-UHFFFAOYSA-N 228.133 2.949 0 50 BFAA OCCCCc1ccc(Br)cc1 19728712 NDWAJMWJTWOGFN-UHFFFAOYSA-N 229.117 2.764 0 50 BFAA in-vitro Cc1cc(Br)c(F)cc1C(=O)O 67802609 ZIXRUMIXLQUGGN-UHFFFAOYSA-N 233.036 2.595 0 50 BFAA Oc1cccc(-c2cccc3c2CCNC3)c1 71715221 BXYJBBFNPQMFMZ-UHFFFAOYSA-N 225.291 2.705 0 50 BFAA CNc1nccnc1-c1cc(C)ccc1C 84027835 GGMFSQFOGUUPFV-UHFFFAOYSA-N 213.284 2.802 0 50 BFAA Fc1cccc2nc(Br)cnc12 117175697 IJYONGLGECTXRZ-UHFFFAOYSA-N 227.036 2.531 0 50 BFAA FC(F)(F)c1cccc(N2CCSC2)n1 169725729 KFIPPPVAAKFZBM-UHFFFAOYSA-N 234.246 2.611 0 50 BFAA CC[C@@H]1CCC[C@H](N[C@@H]2C[C@H]3CC[C@H]2O3)C1 245339388 SKGGYPQIOWZSTD-XVIXHAIJSA-N 223.360 2.865 0 50 BFAA CCCC(=O)Nc1cccc([C@@H](C)C(=O)O)c1 263206315 KSMAUBALPYFGCQ-SECBINFHSA-N 235.283 2.613 0 50 BFAA COc1ccccc1[C@@H](C)NCCC1(O)CCC1 284464305 VILSXKQCOHLAFC-GFCCVEGCSA-N 249.354 2.651 0 50 BFAA COc1cc2ccn(C(=O)OC(C)(C)C)c2cn1 307559378 PPXVLCXIWGHXOY-UHFFFAOYSA-N 248.282 2.828 0 50 BFAA O=C1[C@@H](SCc2ccccc2)CCN1C1CC1 361164652 RZBWNJCXQFFCDZ-ZDUSSCGKSA-N 247.363 2.683 0 50 BFAA N=C(N)Nc1nc(C2CCCCCC2)cs1 573051323 OOUVMRZTFAHDNM-UHFFFAOYSA-N 238.360 2.886 0 50 BFAA Cc1cnccc1C(=O)N1CCC2(CCCC2)C1 584899542 WUUMOIAJZRTQMO-UHFFFAOYSA-N 244.338 2.796 0 50 BFAA CC(C)(C)n1ncnc1[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21 822289260 INZHKVQHSJOODK-CSPFCNMYSA-N 231.343 2.793 0 50 BFAA C=CC(=O)N1CC[C@@](C)(c2cccc(F)c2)C1 863971420 SKQQKXQGFOEZQO-CQSZACIVSA-N 233.286 2.502 0 50 BFAA C=CC(=O)NC1CC(C2CCCCC2)C1 1776000382 YXKFVDFAWKVIHP-UHFFFAOYSA-N 207.317 2.648 0 50 BFAA CC(=O)N1CC[C@H]2CC[C@]21c1cccs1 1875272233 JLATXSGDONDZIA-ZYHUDNBSSA-N 221.325 2.606 0 50 BFAA Cc1ccc(C)c(-c2ncc3c(ncn3C)n2)c1 2100473556 BQWHHURVDYZAEL-UHFFFAOYSA-N 238.294 2.647 0 50 BFAA Cc1cccc(NC(=O)Cc2cccs2)n1 30808 GPGOQSMTEUSFCN-UHFFFAOYSA-N 232.308 2.633 0 50 BFAA CCCc1c(C(=O)O)cnn1-c1ccccc1 82112 CBYITWPSSDTYTN-UHFFFAOYSA-N 230.267 2.523 0 50 BFAA in-vitro CCN(CC)C(=O)Nc1ccc(F)cc1 152057 IFQSZQMTBKCLOF-UHFFFAOYSA-N 210.252 2.699 0 50 BFAA OCC[C@@H]1CCCCN1Cc1ccccc1F 210778 GXTLXDUOTXHQPJ-ZDUSSCGKSA-N 237.318 2.563 0 50 BFAA CC(C)COc1ccc(/C=C/C(=O)O)cc1 266099 NZUIHGSLMBYAMW-VMPITWQZSA-N 220.268 2.819 0 50 BFAA biogenic Cc1ccc(I)c(C)c1 1672849 BUNKQJAMHYKQIM-UHFFFAOYSA-N 232.064 2.908 0 50 BFAA CCCCOc1ccc(-c2ncc(N)cn2)cc1 2201308 PJQIFQDOFGVNDV-UHFFFAOYSA-N 243.310 2.905 0 50 BFAA Fc1cc(C(F)(F)F)c(F)c(F)n1 2513199 DODFHNWFNCGXOW-UHFFFAOYSA-N 201.069 2.518 0 50 BFAA in-vitro Oc1ccc(OC(F)(F)F)c(Cl)c1 2540210 ZDKAPCMMTRJKTR-UHFFFAOYSA-N 212.554 2.944 0 50 BFAA in-vitro N=C(N)SCc1ccc(Br)cc1 4642956 UOSDEUYGDYUEQK-UHFFFAOYSA-N 245.145 2.576 0 50 BFAA in-vivo CC(C)(C)Cc1nc(-c2ccncc2)no1 6697255 XYDQTIGPCDIBPV-UHFFFAOYSA-N 217.272 2.720 0 50 BFAA CCNCCOc1cccc(C(F)(F)F)c1 6702970 OSCQMZRFZQJRKA-UHFFFAOYSA-N 233.233 2.694 0 50 BFAA Cc1ccc(NC(=O)NC2CC2)cc1Cl 6731410 QMJOOKNZVFNQJR-UHFFFAOYSA-N 224.691 2.932 0 50 BFAA Cc1ccnc([C@@](C)(O)c2ccccc2)c1 15781929 HRPTXZBMBLGKJS-AWEZNQCLSA-N 213.280 2.646 0 50 BFAA O=Cc1ccccc1OCOc1ccccc1 25664236 APUORQMCVNRGDP-UHFFFAOYSA-N 228.247 2.914 0 50 BFAA C[C@H](NC(=O)c1ccco1)[C@H]1C[C@H]2CC[C@H]1C2 101752517 TWAOWPQGQVRSDB-FIQHERPVSA-N 233.311 2.834 0 50 BFAA CC(C)CC(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 101896914 RTEATVNILBCDSE-MROQNXINSA-N 223.360 2.973 0 50 BFAA CC1=C(c2ccccc2)N2CCN=C2S1 106138015 MZYJCDGBZGDOSV-UHFFFAOYSA-N 216.309 2.794 0 50 BFAA Cc1onc(-c2cc(F)cc(F)c2)c1C(=O)O 167510254 ZWMBZAKXGQAKQZ-UHFFFAOYSA-N 239.177 2.626 0 50 BFAA COc1cccc(CNc2ncccc2OC)c1 169025966 FMWJXJYDJIZQON-UHFFFAOYSA-N 244.294 2.711 0 50 BFAA FC(F)Oc1ccc(C(F)(F)F)nc1 238526580 JXUSUSXOHUBUBU-UHFFFAOYSA-N 213.105 2.702 0 50 BFAA Oc1ccc(Br)nc1C(F)(F)F 238711773 SDKHTKZPJZZXSJ-UHFFFAOYSA-N 241.994 2.569 0 50 BFAA C[C@@]12C[C@@H]1CN(c1noc(-c3ccccc3)n1)C2 1800414161 LUNKRKODDCRJAV-RISCZKNCSA-N 241.294 2.583 0 50 BFAA O=C(c1ccccc1)[C@H]1CC=CC[C@H]1C(=O)O 323268 JJALHZDTTJJYCI-NWDGAFQWSA-N 230.263 2.536 0 50 BFAA c1cncc(CNC2C3CC4CC(C3)CC2C4)c1 575646 BGJITNJEKLQDBO-UHFFFAOYSA-N 242.366 2.996 0 50 BFAA NCCCCCCN1CCc2ccccc21 2029179 GMWSYYZNTUSZJU-UHFFFAOYSA-N 218.344 2.568 0 50 BFAA Clc1ccc(C[C@@H]2CCCNC2)cc1 2526856 VEVHEHZAQHSNBX-NSHDSACASA-N 209.720 2.882 0 50 BFAA in-vitro NCc1csc(-c2cccc(Cl)c2)n1 2563881 YTIMHDSIFDCEDJ-UHFFFAOYSA-N 224.716 2.922 0 50 BFAA O=Cc1cccn1-c1cccc(Cl)c1 2582734 UOEPODIXYXIDCC-UHFFFAOYSA-N 205.644 2.943 0 50 BFAA in-vitro CCc1ccc(C2=CN3CCN=C3S2)cc1 2597980 GMWASIUCNTWDPA-UHFFFAOYSA-N 230.336 2.966 0 50 BFAA COC(NC(=O)c1ccccc1)=C(Cl)Cl 3122263 WCHFXGJIMONLSG-UHFFFAOYSA-N 246.093 2.667 0 50 BFAA CCOc1ccc2c(c1)[C@@H](O)CC(C)(C)O2 11568130 BZBKSEGFBFWCKO-NSHDSACASA-N 222.284 2.680 0 50 BFAA CCc1ccc2nc(C)c(C(=O)O)cc2c1 15015283 WZUBVPVDDWQDFN-UHFFFAOYSA-N 215.252 2.804 0 50 BFAA in-vitro CCOC(=O)c1cc(-c2ccccc2)nn1CC 15442865 PTGXNENSKKSZDH-UHFFFAOYSA-N 244.294 2.747 0 50 BFAA COC(=O)c1cc(Cl)c2cccc(C)c2n1 38537616 FFRCXTXPLHQRFN-UHFFFAOYSA-N 235.670 2.983 0 50 BFAA in-vitro CC(C)(C)OC(=O)N1CCc2cc(C=O)ccc21 42684549 BXALJGGFHGKPIM-UHFFFAOYSA-N 247.294 2.797 0 50 BFAA in-vitro CC(C)(C)OC(=O)NCc1ccnc(Cl)c1 95495799 UZBMRJZJIUFSNU-UHFFFAOYSA-N 242.706 2.760 0 50 BFAA c1ccc(C[C@H](NCc2ccco2)C2CC2)nc1 152053582 YVSOUGBXEQIIGQ-HNNXBMFYSA-N 242.322 2.786 0 50 BFAA Cc1c(Br)ccc2c1NC(=O)CC2 238504535 RZKYPJFQSWNVLE-UHFFFAOYSA-N 240.100 2.642 0 50 BFAA CC(C)Cn1c(C(=O)O)nc2cccc(F)c21 255189574 QUSQLTMISGNPQT-UHFFFAOYSA-N 236.246 2.530 0 50 BFAA Oc1ccc(OCc2ccccc2)nc1F 261493554 DKVIGMSQACACCI-UHFFFAOYSA-N 219.215 2.505 0 50 BFAA C1CC(C(N=c2[nH]nc(C3CC3)o2)C2CCC2)C1 329279806 MPSYDRVDKDIPQG-UHFFFAOYSA-N 247.342 2.750 0 50 BFAA C1=CC(=C2N[C@@H](c3ccccc3)CO2)C=C1 575449140 FNUUNLNZBVPOCH-CYBMUJFWSA-N 211.264 2.685 0 50 BFAA C[C@H](NC(=O)NC(C)(C)C)C1=CCCCC1 827989694 WDPOSVRRDFCCQQ-JTQLQIEISA-N 224.348 2.973 0 50 BFAA Cn1ncc2ncc(-c3cccs3)cc21 2325863102 VUBDZTCUNNJPQQ-UHFFFAOYSA-N 215.281 2.697 0 50 BFAA CC(C)(C)OC(=O)Oc1ccc(C=O)cc1 56878 RRFJMIZWYMSQAE-UHFFFAOYSA-N 222.240 2.813 0 50 BFAA in-vitro Nc1ccccc1-c1nc2ccccc2[nH]1 144326 YWNXHTNWOQHFRL-UHFFFAOYSA-N 209.252 2.812 0 50 BFAA in-vitro O=C(O)c1oc2ccccc2c1-n1cccc1 266211 YCTXQBNFNACZHO-UHFFFAOYSA-N 227.219 2.922 0 50 BFAA in-vitro CC(C)(C)OC(=O)N1CCc2c(N)cccc21 61958009 AJOIZSPQKCKYRW-UHFFFAOYSA-N 234.299 2.566 0 50 BFAA in-vitro CC(C)c1cc(CN(C)C(=O)c2ccoc2)on1 219032926 ARGYDORCBJTAJR-UHFFFAOYSA-N 248.282 2.663 0 50 BFAA C[C@H](Cc1ccccc1F)NC(=O)[C@@H]1C[C@H]1C 249756981 ILELVXDFDGCZKN-CKYFFXLPSA-N 235.302 2.529 0 50 BFAA O[C@@H]1C[C@@H]2C=C[C@@H]3C=C(c4ccccc4)[C@H]1[C@H]32 253615863 CFWGFWXYQMMSFE-UDUPFKKZSA-N 224.303 2.883 0 50 BFAA CC(=O)N1CCc2c1cccc2C(F)(F)F 273703013 PBAVYZUWFSWWFP-UHFFFAOYSA-N 229.201 2.614 0 50 BFAA CC(C)c1ccc(-c2nc(N(C)C)n(C)n2)cc1 426661978 HISDULOYSXBAEB-UHFFFAOYSA-N 244.342 2.672 0 50 BFAA O=C(/C=C/c1ccco1)NCCc1ccccc1 290601 IONSRUJWBBFNGR-CMDGGOBGSA-N 241.290 2.652 0 50 BFAA biogenic OCCOc1ccccc1-c1ccccc1 1600275 NOZAKUWNUGNDLI-UHFFFAOYSA-N 214.264 2.725 0 50 BFAA COc1cc(Cl)c(C=O)c(Cl)c1OC 2563913 FIHJBVMZUXYWLE-UHFFFAOYSA-N 235.066 2.823 0 50 BFAA CCCCc1cc(=O)oc2cc(O)ccc12 2976466 BPCUVPFNRWFFIJ-UHFFFAOYSA-N 218.252 2.841 0 50 BFAA in-vitro CSc1nc(Br)cs1 15021574 YGCKEBOZMZSIDW-UHFFFAOYSA-N 210.121 2.628 0 50 BFAA in-vitro CC(=O)N[C@H]1CCCCCCC(=O)CCCC1 43199364 NTGJGBVADPBFLF-ZDUSSCGKSA-N 239.359 2.975 0 50 BFAA CCCCNC(=O)c1ccc(C)cc1C 47464520 HIDSMNDPXXXHBC-UHFFFAOYSA-N 205.301 2.833 0 50 BFAA CCCc1ccc(-c2nccn2CCOC)o1 67673518 SMFRXBUKDATSIG-UHFFFAOYSA-N 234.299 2.742 0 50 BFAA Cc1csc(CN(C)Cc2cccnc2C)n1 93336477 WSCIISLQWYDZAZ-UHFFFAOYSA-N 247.367 2.787 0 50 BFAA CC(C)(C)OC(=O)NC1(CCO)CCCCC1 142428496 CXVSJQCHWDZOEK-UHFFFAOYSA-N 243.347 2.596 0 50 BFAA C[Si](C)(c1cccs1)c1cccs1 169744962 RPCHUCVMGSCQMP-UHFFFAOYSA-N 224.426 2.632 0 50 BFAA in-vitro COC(=O)c1ncsc1Nc1ccccc1 196323322 VKYHMCIKJMQDAJ-UHFFFAOYSA-N 234.280 2.673 0 50 BFAA O=C(O)c1ccc2c(c1)N=C1CCCC[C@@H]1C2=O 253533840 VFEWKGFNLIRGJI-VIFPVBQESA-N 243.262 2.844 0 50 BFAA C[C@@H](C[C@H]1CCOC1)NCc1ccccc1 307442695 AYWRSPGLDZQFJH-GXTWGEPZSA-N 219.328 2.591 0 50 BFAA c1ccc(CNCC[C@@H]2CCCOC2)cc1 408525915 OOEROOHBDPDELM-AWEZNQCLSA-N 219.328 2.593 0 50 BFAA C=CC(=O)N1CCC[C@]1(C)c1ccccc1 1346091638 YVHIOOYUJZZCKE-CQSZACIVSA-N 215.296 2.710 0 50 BFAA CC[C@@H]1CN(c2ccc(Cl)c(C)n2)CCO1 1506400703 KUISUOUNNRZZDD-SNVBAGLBSA-N 240.734 2.659 0 50 BFAA CCCc1cnc(C)nc1N(C)Cc1ccoc1 1704354471 GDOGVUAEHOXVOH-UHFFFAOYSA-N 245.326 2.967 0 50 BFAA O=C(O)c1ccc(NC(=O)c2ccccc2)cc1 78349 UZKKMWJMAJGMPF-UHFFFAOYSA-N 241.246 2.637 0 50 BFAA biogenic COC(=O)c1ccsc1-n1c(C)ccc1C 116028 IHRKHWITDNTYIN-UHFFFAOYSA-N 235.308 2.942 0 50 BFAA Cc1nc(-c2cccc(C(=O)O)c2)cs1 158913 YDPHSMPSNLAMJE-UHFFFAOYSA-N 219.265 2.817 0 50 BFAA in-vitro COc1ccc(C(=O)O)cc1OC1CCCC1 161547 RVADCQWIQKYXBJ-UHFFFAOYSA-N 236.267 2.715 0 50 BFAA in-vitro O=C(CCN1CCCCC1)c1ccccc1 208957 BIBARRYXKABQKJ-UHFFFAOYSA-N 217.312 2.745 0 50 BFAA in-vitro CC1CCN([C@H](C(=O)O)c2ccccc2)CC1 811642 VNTKWWYECZGMLP-ZDUSSCGKSA-N 233.311 2.544 0 50 BFAA COC(=O)[C@@H](C)Oc1ccc(Cl)cc1C 2516066 YWGAULPFWIQKRB-MRVPVSSYSA-N 228.675 2.589 0 50 BFAA in-vitro COC(=O)c1cc2ccc(OC(C)C)cc2[nH]1 4235020 WNVUZWHANZCUOD-UHFFFAOYSA-N 233.267 2.742 0 50 BFAA Cc1cccnc1NC1=NCC(C)(C)S1 4843486 NXCMNGHLKTVSNP-UHFFFAOYSA-N 221.329 2.683 0 50 BFAA Cc1ccccc1NC(=O)NCc1ccncc1 5588553 WORQUQKXORRTDO-UHFFFAOYSA-N 241.294 2.712 0 50 BFAA Cc1ccc2ccccc2c1CN1CCNCC1 22028992 DFWSIPPWIKEQII-UHFFFAOYSA-N 240.350 2.553 0 50 BFAA CN(C)CC(=O)C12CC3C[C@H](CC[C@@H](C3)C1)C2 104316939 ZGOKCQNIYHOWQK-YKQCJFHZSA-N 235.371 2.724 0 50 BFAA CC(C)(C)C1CCC(CNCCC(=O)O)CC1 129816357 DAWZLBVICCKRKI-UHFFFAOYSA-N 241.375 2.903 0 50 BFAA C[C@@H]1CN(C(=O)NCC2CC2)[C@@H]1c1ccccc1 170004143 IYNCISVLLJACPG-RISCZKNCSA-N 244.338 2.799 0 50 BFAA CC(C)N1CCC[C@H](c2cccc(C(=O)O)c2)C1 213711900 QAMXOKNAYKAQQF-AWEZNQCLSA-N 247.338 2.973 0 50 BFAA Cc1ccc2cn(C)nc2c1Br 218720072 UVRFFVFJPWCARB-UHFFFAOYSA-N 225.089 2.644 0 50 BFAA Cc1sccc1C(=O)N1CCC[C@H]1CF 295700676 XOQXYWXTWSVACZ-VIFPVBQESA-N 227.304 2.631 0 50 BFAA O=C(N[C@H]1C=CCCC1)[C@@H]1CCC(F)(F)C1 336082634 WUEBKKQLBAHNSN-ZJUUUORDSA-N 229.270 2.647 0 50 BFAA C=CC(=O)N1C[C@H](C)C[C@H]1c1ccccc1 1335860278 LWNHZIBBXMBHGA-YPMHNXCESA-N 215.296 2.782 0 50 BFAA COc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)C2 1740816405 FMJOYCTUKUQREN-UHFFFAOYSA-N 243.306 2.780 0 50 BFAA OC[C@@H]1CCCCN1Cc1cccc(Cl)c1 209396 JLYNMEAUJQGQJV-ZDUSSCGKSA-N 239.746 2.687 0 50 BFAA c1ccc(CN2C3=NCCN3c3ccccc32)cc1 348917 GDGPTJOHDWWUMQ-UHFFFAOYSA-N 249.317 2.883 0 50 BFAA COc1ccc(-c2nc3ccccn3c2N)cc1 1432771 ITUOXVCQWLKCGP-UHFFFAOYSA-N 239.278 2.592 0 50 BFAA O=Cc1ccc(-c2cccc(F)c2)nc1 2527559 NYXTZOPVKQNRIS-UHFFFAOYSA-N 201.200 2.700 0 50 BFAA CC(=O)NC1CCC(c2ccccc2)CC1 2882053 PUAUANKRLKSDGX-UHFFFAOYSA-N 217.312 2.849 0 50 BFAA C[C@H]1CN([C@H]2CCC[C@@H](C)C2)C[C@@H](C)O1 4612749 WUHLISYYNMBQLL-NDBYEHHHSA-N 211.349 2.674 0 50 BFAA CC(C)(C)NC(=S)Nc1ccccc1F 4685263 LHSREYRZXKDUQP-UHFFFAOYSA-N 226.320 2.911 0 50 BFAA CC/C=C/C[C@H]1C(=O)CC[C@H]1CC(=O)OC 5447652 GEWDNTWNSAZUDX-BXXZLRJFSA-N 224.300 2.501 0 50 BFAA endogenous,in-vitro Nc1nnc(-c2ccc(Cl)s2)s1 15442578 RMJVLCCGWMTQSO-UHFFFAOYSA-N 217.706 2.502 0 50 BFAA CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)O 19094208 YMERGXVWLWRYGI-CYBMUJFWSA-N 234.295 2.807 0 50 BFAA O=C(CC1CC1)Nc1ccnn1C1CCCC1 19147750 DFBRUMLZTNJFIV-UHFFFAOYSA-N 233.315 2.737 0 50 BFAA Oc1ccc(CN2CCCC2)c2cccnc12 19230070 YIDLQDBGBKKOGB-UHFFFAOYSA-N 228.295 2.536 0 50 BFAA in-vitro CCOC(=O)COc1ccc(C(F)(F)F)cc1 20302747 JOWZWSDDZGUKFO-UHFFFAOYSA-N 248.200 2.647 0 50 BFAA in-vitro OCC/C=C/CCCCO[C@@H]1CCCCO1 43761499 BSDWMRHTDLMCNJ-CHWPNHQFSA-N 228.332 2.639 0 50 BFAA O=C(Cc1cccc(Cl)c1)N1CCCCC1 67899628 PJOZATNDDTWHSX-UHFFFAOYSA-N 237.730 2.895 0 50 BFAA O=C(Nc1cnns1)c1ccc(Cl)s1 170087554 SWISYVZAHXXMFU-UHFFFAOYSA-N 245.716 2.505 0 50 BFAA COc1ccc(C(C)=O)cc1[C@H](O)CC(C)C 216140733 LKMLLBCTPPDIRT-CYBMUJFWSA-N 236.311 2.977 0 50 BFAA biogenic Cc1ccc([C@@H]2CCCN2CCC(=O)O)cc1C 237784837 NVIFSUVBTMEGCJ-AWEZNQCLSA-N 247.338 2.915 0 50 BFAA CCOC1(OCC)C[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 254397420 CXXNIJGNUVQONK-FIQHERPVSA-N 210.317 2.822 0 50 BFAA Cc1noc(C)c1CN1CCC[C@@](C)(F)C1 296188978 YIQFAGLWRRHATL-GFCCVEGCSA-N 226.295 2.615 0 50 BFAA Fc1ccc2c(c1)CC[C@H]2Nc1cnccn1 301099256 NYQBSENXLGNPDM-GFCCVEGCSA-N 229.258 2.715 0 50 BFAA Cc1c(NC2CCCCC2)cnn1[C@H]1CCOC1 335576519 NFOMZMXTQCMKKD-ZDUSSCGKSA-N 249.358 2.898 0 50 BFAA O=C(Nc1nccs1)c1sccc1F 336630869 CFDLTWMBLNOVBC-UHFFFAOYSA-N 228.273 2.596 0 50 BFAA COC(=O)c1cc2c(F)ccc(F)c2s1 396171583 MCJQGBYCYITYHR-UHFFFAOYSA-N 228.219 2.966 0 50 BFAA in-vitro Cc1c(F)cc(N)c(F)c1Br 616567910 GCFNTHZRYXKNGU-UHFFFAOYSA-N 222.032 2.618 0 50 BFAA C=CC(=O)N1Cc2cc(C)ccc2C(C)(C)C1 888102230 IJPSJHOBPHALJV-UHFFFAOYSA-N 229.323 2.801 0 50 BFAA CN(C)Cc1ccc(-c2ccns2)s1 929084641 HKCAQNNRWFWWJG-UHFFFAOYSA-N 224.354 2.933 0 50 BFAA COc1cccc(-c2cc3nc[nH]c3nc2C)c1 1239521480 SKRJKYFTGNNVMA-UHFFFAOYSA-N 239.278 2.942 0 50 BFAA CCCc1nc(C)cc(-c2cncc(O)c2)n1 1857741320 NMOFITOHSKINHH-UHFFFAOYSA-N 229.283 2.505 0 50 BFAA CC[C@H](O)c1ccc(-c2cncc(O)c2)cc1 1875246785 APSKDURPMLNRJL-AWEZNQCLSA-N 229.279 2.898 0 50 BFAA Cc1ccc(C(=O)N2CCCC2)c2cccnc12 2325789337 KNCYQTYUVIDBEK-UHFFFAOYSA-N 240.306 2.779 0 50 BFAA CCSc1nnc(NC(=O)C(C)(C)C)s1 441448 MGLUUXOWASBUFY-UHFFFAOYSA-N 245.373 2.635 0 50 BFAA Cc1ccc(Oc2ncccc2C=O)cc1 2569440 LRGKZFVFBYHWIC-UHFFFAOYSA-N 213.236 2.995 0 50 BFAA in-vitro CC(C)CNC(=S)Nc1ccccc1 5421221 GYLIWROUPTWSLA-UHFFFAOYSA-N 208.330 2.629 0 50 BFAA CCCCS(=O)(=O)Nc1cccc(Cl)c1 5792962 VBSUCKPYJMWUJD-UHFFFAOYSA-N 247.747 2.882 0 50 BFAA Cc1ccc(Cl)cc1NC[C@H]1CCCN1 6658206 OIHUZQAJBLMZTF-LLVKDONJSA-N 224.735 2.812 0 50 BFAA Cc1ccc(O[C@@H](C)C(=O)NC(C)(C)C)cc1C 8041759 ZMBROFGXUBZSJJ-LBPRGKRZSA-N 249.354 2.985 0 50 BFAA CCCN(C(=O)[C@@H]1CCCO1)c1cccc(C)c1 9196909 AFDQNCVYDXOMRC-AWEZNQCLSA-N 247.338 2.917 0 50 BFAA COc1ccc(/C=C/c2cc[n+](C)cc2)cc1 12341440 LFPRNRJYMNTKPI-ONEGZZNKSA-N 226.299 2.690 0 50 BFAA CC(C)Nc1ccc(C(F)(F)F)cn1 20638961 XREHFRWADMHXHK-UHFFFAOYSA-N 204.195 2.921 0 50 BFAA c1cnn(CCCNc2nccc3occc23)c1 32503303 MKASHIQEBZNVRS-UHFFFAOYSA-N 242.282 2.527 0 50 BFAA CCN(CC)c1ccc(-c2ccn[nH]2)cc1 65395275 DQCDVNXTWCKGIO-UHFFFAOYSA-N 215.300 2.923 0 50 BFAA c1cc(C2CCCC2)nc(-c2cn[nH]c2)n1 71707992 VHPYUROPNBLKTR-UHFFFAOYSA-N 214.272 2.524 0 50 BFAA CCCCNC[C@H]1COc2cc(C)ccc2C1=O 96026743 PKOQPYYOYXTKTL-LBPRGKRZSA-N 247.338 2.576 0 50 BFAA COC(=O)c1ccc(CC(F)(F)F)cc1 114706203 OYIZLPKQAMHVMI-UHFFFAOYSA-N 218.174 2.578 0 50 BFAA C1CCC([C@H](N[C@H]2CCOC2)C2CC2)CC1 134790256 PWTQEBPMZYTLRT-KBPBESRZSA-N 223.360 2.724 0 50 BFAA Cc1ccccc1CCCN1CC[C@H](O)C[C@@H]1C 170610752 HIJOKDZJPFJFAH-HOCLYGCPSA-N 247.382 2.773 0 50 BFAA C[C@@H]1[C@@H](c2ccccc2)CCN1CCCC(=O)O 175603944 UHKGQOAKWZRNDI-OCCSQVGLSA-N 247.338 2.729 0 50 BFAA C[C@@H]1CN([C@@H](C)C(=O)O)CC[C@H]1c1ccccc1 299747161 CFSFGSDZQVOUKJ-MBNYWOFBSA-N 247.338 2.585 0 50 BFAA CC[C@@]1(C(=O)OC)O[C@@]1(C)C1CCCCC1 669382220 BSXVWPOBRGBAOH-STQMWFEESA-N 226.316 2.677 0 50 BFAA Cc1cccc(OC2CN([C@@H]3CCSC3)C2)c1 670453909 VKQJEALSXHCDNC-GFCCVEGCSA-N 249.379 2.564 0 50 BFAA CC(C)C[C@H](CN)CC(=O)OCC1CC=CC1 1614401377 YABSIIXVFUUVLO-ZDUSSCGKSA-N 239.359 2.507 0 50 BFAA O=C(O)c1cccc(C(=O)c2ccccc2)c1 409186 AXJXRLHTQQONQR-UHFFFAOYSA-N 226.231 2.616 0 50 BFAA biogenic,in-vitro Nn1c2ccccc2n2cc(-c3ccccc3)nc12 444783 CPJXBYXIUIIRKF-UHFFFAOYSA-N 248.289 2.670 0 50 BFAA O=C(Oc1ccccc1C(=O)O)c1ccccc1 2028033 QSOVSKMNRYAVJR-UHFFFAOYSA-N 242.230 2.604 0 50 BFAA Cc1ccc(-c2cccc(C(=O)O)c2)o1 2525675 ZGYKYVFYWKVVED-UHFFFAOYSA-N 202.209 2.953 0 50 BFAA in-vitro C[C@@H]1CC[C@H](N(C)CCc2ccccn2)C1 4333370 YKOLEEBTTJYMEP-OCCSQVGLSA-N 218.344 2.745 0 50 BFAA CCCCN(C)Cc1nc2ccccc2n1C 4809802 SMFUSAKSENKDOJ-UHFFFAOYSA-N 231.343 2.805 0 50 BFAA CC1(C)CCC[C@@](C)(CCC(=O)O)C1=O 4829841 POPXOCJIEWEAFW-LBPRGKRZSA-N 212.289 2.637 0 50 BFAA CC(=O)COc1ccc(Cl)c2cccnc12 6625632 TYWWHORZNVMGCG-UHFFFAOYSA-N 235.670 2.856 0 50 BFAA Cc1cc(Cl)ccc1NC[C@@H]1CCCN1 12404757 GDTPSIGOVSVSCQ-NSHDSACASA-N 224.735 2.812 0 50 BFAA CCN(CC)CCN(CC)Cc1ccccc1 19634029 QLSSYVAFZGAMFX-UHFFFAOYSA-N 234.387 2.850 0 50 BFAA O=Cc1cc(Cl)cc(Br)c1 35322935 JGMGDYUVFBBCEQ-UHFFFAOYSA-N 219.465 2.915 0 50 BFAA in-vitro Cc1noc(-c2cc3c(F)cccc3[nH]2)n1 113742401 PNXSEBMUBSWSJD-UHFFFAOYSA-N 217.203 2.665 0 50 BFAA C[C@@H]1CC[C@@H](c2nc(C(C)(C)C)no2)O1 129158797 JACAAGIILKZTQX-SFYZADRCSA-N 210.277 2.607 0 50 BFAA COC(=O)/C=C1/CCSc2ccccc21 133891258 DSBHJEJYLIAMEL-HJWRWDBZSA-N 220.293 2.739 0 50 BFAA CC1=CC[C@@H](NCc2cn3ccccc3n2)CC1 225422919 ROFXAVFLUYXMQP-CYBMUJFWSA-N 241.338 2.923 0 50 BFAA C[C@@H]1CCCC[C@@H]1CNc1ncnc2oncc12 225503659 QWGILTNSMCZXBD-NXEZZACHSA-N 246.314 2.856 0 50 BFAA Cc1cc2c(cc1Br)C(=O)CCO2 238484518 ZQVBOJVMMUTCCT-UHFFFAOYSA-N 241.084 2.723 0 50 BFAA CC1(C)C[C@]23C(=O)CCC(=O)[C@]2(C)CC[C@H]13 254352244 PLFWLYJWPAOEIB-IIMNLJJBSA-N 220.312 2.751 0 50 BFAA c1ccc2c(CN3CCC[C@@H]3C3CC3)n[nH]c2c1 678240531 ZASQGHTZIZKHHW-OAHLLOKOSA-N 241.338 2.937 0 50 BFAA COc1nc2ccccc2cc1-c1cc(C)[nH]n1 1875248793 OYYXKOKHRBOQAH-UHFFFAOYSA-N 239.278 2.942 0 50 BFAA Cc1cc(F)cc(-c2cnc3cnccn23)c1 2356163969 YWKDMHWEQJEFOK-UHFFFAOYSA-N 227.242 2.844 0 50 BFAA CC(=O)Nc1ccc(Br)cc1F 56819 BCYGKMDWQBWUSC-UHFFFAOYSA-N 232.052 2.547 0 50 BFAA biogenic,in-vitro CSc1nccc(-c2cccs2)n1 126198 UAYLFPXPMKOTKN-UHFFFAOYSA-N 208.311 2.927 0 50 BFAA in-vitro O=C(Nc1cccc(O)c1)c1cccs1 139382 KMQXHRCPJAMIKP-UHFFFAOYSA-N 219.265 2.706 0 50 BFAA in-vitro Cc1ccc2nc3c(c(N)c2c1)CCCCN3C 190936 RJNGQXAUTNTOAG-UHFFFAOYSA-N 241.338 2.898 0 50 BFAA O=C(O)c1sc(Cl)nc1C(F)(F)F 2540222 OGZUWSFEZCBGPH-UHFFFAOYSA-N 231.582 2.514 0 50 BFAA in-vitro O=C(O)c1ccc(-c2ccncc2)s1 9407391 OJOWGMLSJKRJNV-UHFFFAOYSA-N 205.238 2.508 0 50 BFAA in-vitro CCCC[n+]1ccc(C2CCOCC2)cc1 15442087 NMUHCMKWRFTVKF-UHFFFAOYSA-N 220.336 2.668 0 50 BFAA CCOC(=O)c1cc(-c2ccc(F)cc2)on1 15442928 IYDBYHCVVNAFSM-UHFFFAOYSA-N 235.214 2.657 0 50 BFAA CC(C)(C)NCc1nc(-c2cccs2)no1 16652277 YDBBBCQXJNWDHZ-UHFFFAOYSA-N 237.328 2.686 0 50 BFAA COc1ccccc1-c1nc(C=O)cs1 37974040 ZOSOJISOZSLKEH-UHFFFAOYSA-N 219.265 2.631 0 50 BFAA in-vitro Cc1ccc(O[C@H](C)C(=O)NC(C)(C)C)cc1 42139877 MSTBSJANDBNNFZ-LLVKDONJSA-N 235.327 2.677 0 50 BFAA C/C=C(\OCC)[C@]1(O)CCc2ccccc21 43763213 HCGVDRLYABZWBN-SUSILRQXSA-N 218.296 2.761 0 50 BFAA Cc1nc2cccc(Br)c2o1 62525714 BKDLGCJXIKUIRB-UHFFFAOYSA-N 212.046 2.899 0 50 BFAA in-vitro CCCCSc1ncc(-c2ncc[nH]2)cn1 67820051 RIFRRINYVORYSW-UHFFFAOYSA-N 234.328 2.759 0 50 BFAA O=C1N[C@@H](c2ccccc2)c2ccccc2O1 91301809 MFDUOPFNWJRTBJ-ZDUSSCGKSA-N 225.247 2.878 0 50 BFAA Cc1c(C(=O)N2CCC2)[nH]c2ccc(Cl)cc12 96163630 ZMTRORWFFUDHEY-UHFFFAOYSA-N 248.713 2.976 0 50 BFAA Cc1cccc(-c2c[nH]nc2[C@H]2CCCNC2)c1 96988004 SOEFNWDHLIBMIE-ZDUSSCGKSA-N 241.338 2.852 0 50 BFAA CC(=O)OCC(=O)c1cccc2ccccc12 165393977 AUHIJZYPLUPNGG-UHFFFAOYSA-N 228.247 2.586 0 50 BFAA Cc1ccncc1NC(=O)Cc1ccccc1 171527133 ZYPYKQJZFJLHQJ-UHFFFAOYSA-N 226.279 2.571 0 50 BFAA CCn1nc(C)c(CNc2cccc(O)c2)c1C 195576018 PILRJGDSKNIOBD-UHFFFAOYSA-N 245.326 2.838 0 50 BFAA C[C@]1(F)CCN(C(=O)Nc2ccsc2)C1 336615140 UHAVIFGHSHJMPY-JTQLQIEISA-N 228.292 2.714 0 50 BFAA FC1(F)CCN(c2cnc3ccccc3n2)CC1 575606031 JBZXCEZDYYUQFN-UHFFFAOYSA-N 249.264 2.865 0 50 BFAA Oc1cccc2c1CC[C@H]2NCc1cnsc1 687228067 FNJAGMOKUUUVDL-GFCCVEGCSA-N 246.335 2.626 0 50 BFAA Fc1ccc2cc(-c3cn[nH]c3)cnc2c1 1240242201 KDANBULAHJFOTC-UHFFFAOYSA-N 213.215 2.764 0 50 BFAA CNC(=O)Oc1cccc2ccccc12 1090 CVXBEEMKQHEXEN-UHFFFAOYSA-N 201.225 2.558 0 50 BFAA biogenic,in-man CC(C)c1nnc(NC(=O)c2ccccc2)s1 206359 VZQRLXOQAVPAHI-UHFFFAOYSA-N 247.323 2.914 0 50 BFAA C[C@H]1CN(C2CCCCC2)[C@@H](C)CC1=O 1227628 ZBMNTDYSMDSDGV-QWRGUYRKSA-N 209.333 2.619 0 50 BFAA O=C1CSc2ccc(C(F)(F)F)cc2N1 4070985 CDCYQWJTDZXFCS-UHFFFAOYSA-N 233.214 2.750 0 50 BFAA CCOc1ccc(/C=C/C(=O)N2CCCC2)cc1 12138404 RZPYTOWHQDKZKO-JXMROGBWSA-N 245.322 2.721 0 50 BFAA CCN(CC)CCN(C)Cc1cccc(F)c1 19637370 XQZXGMWVYAYPDZ-UHFFFAOYSA-N 238.350 2.599 0 50 BFAA Cc1ccnc(NC(=S)c2ccccn2)c1 38892165 HHJKAQHJHKMIJL-UHFFFAOYSA-N 229.308 2.573 0 50 BFAA NC(=O)c1ccccc1/C=C/c1ccccc1 39311254 YIJXHVVLPREZQI-ZHACJKMWSA-N 223.275 2.956 0 50 BFAA Cc1ccc(C=O)c(F)c1Br 95635157 AZBJQXQTTQMVIT-UHFFFAOYSA-N 217.037 2.709 0 50 BFAA in-vitro CC1(C)CNc2cc(Br)cnc21 118094017 CGRAIZNYIYTGLF-UHFFFAOYSA-N 227.105 2.547 0 50 BFAA CC(C)c1nnc(SC[Si](C)(C)C)n1C 170621457 KRLDNLBOTVXJMS-UHFFFAOYSA-N 243.452 2.908 0 50 BFAA C=CC(=O)N1CCC[C@H]1c1ccccc1OC 199100674 HPQUGEYSDYDSRW-LBPRGKRZSA-N 231.295 2.545 0 50 BFAA CCOC(=O)c1c(C)[nH]c2nc(Cl)ccc12 230535145 BJIHSYJBQROZEF-UHFFFAOYSA-N 238.674 2.701 0 50 BFAA COC(=O)c1cccc(-c2c(C)noc2C)c1 255189426 PVADSZLPKGGLAC-UHFFFAOYSA-N 231.251 2.745 0 50 BFAA CC(C)n1cc(NC(=O)[C@@H]2CC23CCCC3)cn1 567439092 SWYNVXYNRODYOD-LBPRGKRZSA-N 247.342 2.983 0 50 BFAA CC[C@@H]1C=CCN1Cc1cc(OC)cc(OC)c1 952872768 SVHYDGVOEMBTNZ-CYBMUJFWSA-N 247.338 2.854 0 50 BFAA C=CC(=O)Nc1cc(C)c(C(C)=O)c(C)c1 1356522291 GTKRXSSFNZYGJD-UHFFFAOYSA-N 217.268 2.631 0 50 BFAA c1coc(CCn2ccnc2-c2cnsc2)c1 1875250496 GAOMPDQTHJMCIT-UHFFFAOYSA-N 245.307 2.842 0 50 BFAA Nc1cccc(-c2cnc3ccccc3n2)c1 317562 FTKCJWKPAZRHTL-UHFFFAOYSA-N 221.263 2.879 0 50 BFAA Cc1cccc(C(=O)Oc2cccccc2=O)c1 447170 YDORUGQDHPAEDN-UHFFFAOYSA-N 240.258 2.574 0 50 BFAA biogenic Cc1sc(N)nc1-c1ccc(F)cc1 1009200 KPOAMSWZRRKBHN-UHFFFAOYSA-N 208.261 2.840 0 50 BFAA in-vitro O=C1Oc2ccccc2[C@@H]1c1ccccc1 2042129 NANGQJICIOUURV-ZDUSSCGKSA-N 210.232 2.738 0 50 BFAA c1cnc(Oc2cccc(CNC3CC3)c2)nc1 13731642 KGYCIJYDHQIDFG-UHFFFAOYSA-N 241.294 2.521 0 50 BFAA Fc1cc(F)c2c(Br)n[nH]c2c1 14983970 OMGZJDWENSGDAU-UHFFFAOYSA-N 233.015 2.604 0 50 BFAA O=C(O)c1cccc(-c2ccc(F)cc2)n1 15446093 WEEVXEKXCIBZMB-UHFFFAOYSA-N 217.199 2.586 0 50 BFAA in-vitro Cc1c(Br)ccnc1Cl 21981933 XOHGSWUURFCOIL-UHFFFAOYSA-N 206.470 2.806 0 50 BFAA in-vitro CC[C@@H](C)NC(=O)c1ccc(F)c(F)c1F 23119827 YIORLONHPCFDFD-ZCFIWIBFSA-N 231.217 2.632 0 50 BFAA Cc1ccn(-c2ccc(Br)cc2)n1 38537734 HQNNVHWAUQVTKE-UHFFFAOYSA-N 237.100 2.943 0 50 BFAA CN(C(=O)CCc1ccccn1)c1ccccc1 49680194 NHAXQBMJMQKTKD-UHFFFAOYSA-N 240.306 2.677 0 50 BFAA COc1cc(C(F)(F)F)c(F)cc1F 259431640 MLOXCTCZEPSAAM-UHFFFAOYSA-N 212.117 2.992 0 50 BFAA c1cn2c(n1)CC[C@@H](CNC1CCCCCC1)C2 328635057 NCZFVPCNDHYAAT-ZDUSSCGKSA-N 247.386 2.758 0 50 BFAA CCCn1ncnc1-c1c(F)cccc1OC 426490632 SZQXBDKYQDPXKB-UHFFFAOYSA-N 235.262 2.503 0 50 BFAA CCc1nc(Cc2ccc(F)c(C)c2)n(CC)n1 823560466 FGXFQSTWZJKAKD-UHFFFAOYSA-N 247.317 2.899 0 50 BFAA CCOC(=O)c1ccc2c(c1)nc(C)n2CC 61042 WFXZBJGTELYJQB-UHFFFAOYSA-N 232.283 2.541 0 50 BFAA in-vitro NC(=O)[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21 93989 FUZYTVDVLBBXDL-SECBINFHSA-N 248.713 2.727 0 50 BFAA investigational Nc1ccc(-c2nc3ccccc3[nH]2)cc1 122928 VQFBXSRZSUJGOF-UHFFFAOYSA-N 209.252 2.812 0 50 BFAA in-vitro Cc1cc(NC(=O)c2cccc(Cl)c2)no1 338477 GUSJOAOZPPRRBY-UHFFFAOYSA-N 236.658 2.889 0 50 BFAA CC(C)Oc1ccc(CC(=O)O)cc1Cl 392251 IDIYIZMETAUIPJ-UHFFFAOYSA-N 228.675 2.754 0 50 BFAA CC(C)c1nnc2sc(-c3ccco3)nn12 2437048 QXDFMCYDGZTZHC-UHFFFAOYSA-N 234.284 2.569 0 50 BFAA Cc1[nH]c2ccc(Cl)cc2c1CC(=O)O 2598725 OAIODEZFMSXHFQ-UHFFFAOYSA-N 223.659 2.757 0 50 BFAA in-vitro CN1CC=C(c2c[nH]c3ccccc23)CC1 3913688 IUENQRYBZHHPBN-UHFFFAOYSA-N 212.296 2.887 0 50 BFAA aggregator,biogenic,in-vitro C[C@@H]1CO[C@@H](C[C@@H](C)c2ccccc2)O1 4184272 JVVKHPVHCMSPGX-NQBHXWOUSA-N 206.285 2.942 0 50 BFAA CCSc1ccc(C(=O)CCC(=O)O)cc1 4255839 CWQPKFWGOIESHG-UHFFFAOYSA-N 238.308 2.846 0 50 BFAA OCCCc1c[nH]c2ccc(Cl)cc12 19772516 DHBHGDMZFNCBSL-UHFFFAOYSA-N 209.676 2.746 0 50 BFAA in-vitro NCCc1c[nH]c2ccc(OC(F)(F)F)cc12 26894237 OMDUIRZSXDJSEX-UHFFFAOYSA-N 244.216 2.568 0 50 BFAA Clc1cc(Br)cc2cn[nH]c12 40448814 IQSRPQLSDHXAIZ-UHFFFAOYSA-N 231.480 2.979 0 50 BFAA in-vitro CN(C)CSc1ccc(Cl)cc1 71773114 GVTUWJGZDYATNU-UHFFFAOYSA-N 201.722 2.951 0 50 BFAA CC(C)(C)OC(=O)c1ccc(Cl)o1 87222901 ZBXAZTQOCWTKLM-UHFFFAOYSA-N 202.637 2.888 0 50 BFAA Cc1cc(C(=O)O)ccc1OC(F)(F)F 139357907 CFTAMHYOCHSAHZ-UHFFFAOYSA-N 220.146 2.592 0 50 BFAA in-vitro C[C@@H](CNC1(CO)CC1)c1cccc(Cl)c1 195573427 RSXFCSKWKXDWRM-JTQLQIEISA-N 239.746 2.558 0 50 BFAA CCOc1ccc(C(=O)O)c(F)c1Cl 261507605 KEAORQIJZGUXQH-UHFFFAOYSA-N 218.611 2.576 0 50 BFAA N=C1CCCCCN1c1cc(N)c(F)cc1F 263619739 PPQSLTRYZIGXPB-UHFFFAOYSA-N 239.269 2.905 0 50 BFAA c1cn2c(n1)[C@@H](NC1CCC3(CC1)CC3)CC2 334622977 JKBXVQPZRKYXHE-LBPRGKRZSA-N 231.343 2.640 0 50 BFAA C=CC(=O)Nc1ccccc1Cc1cccnc1 1875367403 NFDJNDJYXMGMKY-UHFFFAOYSA-N 238.290 2.797 0 50 BFAA F[C@@H]1CCC[C@@H](CN2CCn3cccc3C2)C1 2325771696 IARMGAFERSJFIA-CHWSQXEVSA-N 236.334 2.832 0 50 BFAA Cc1ccc(CC(=O)c2cccnc2)cc1 161862 RZTPZZZQGBUDFZ-UHFFFAOYSA-N 211.264 2.815 0 50 BFAA Clc1cccc(OCCN2CCCC2)c1 227174 HONHRFONGDSNPY-UHFFFAOYSA-N 225.719 2.815 0 50 BFAA O=C(c1cc(-c2cccs2)on1)N1CCCC1 425687 REFDYNSJUFCUKP-UHFFFAOYSA-N 248.307 2.639 0 50 BFAA Cc1ccnc(NC(=O)c2ccc(C)o2)c1 1218535 LCVZYAGDVFWUEU-UHFFFAOYSA-N 216.240 2.544 0 50 BFAA CC(C)NCC(=O)C12CC3CC(CC(C3)C1)C2 4011492 QAWMGAIRTARNEZ-UHFFFAOYSA-N 235.371 2.770 0 50 BFAA CCCN(CCC)C(=O)c1cccc(N)c1 12403825 PNWNMGKRCWKXDR-UHFFFAOYSA-N 220.316 2.531 0 50 BFAA Cc1ccc([C@H](C)NC(=O)c2cc(C)on2)cc1 13327672 XKCUKTHUIMQRDV-NSHDSACASA-N 244.294 2.782 0 50 BFAA O=Cc1cc(CN2CCCCC2)cs1 16943331 LUVAADJQCRBJKC-UHFFFAOYSA-N 209.314 2.547 0 50 BFAA in-vitro NCCCSCc1ccc(Cl)cc1 21953405 NLZAXBPULVTQSP-UHFFFAOYSA-N 215.749 2.922 0 50 BFAA in-vitro FC(F)(F)c1cc(Cl)c2nn[nH]c2c1 32499975 SWXYNBPMJGFRGI-UHFFFAOYSA-N 221.569 2.630 0 50 BFAA O=C(O)c1cc(Br)c(Cl)s1 34404549 CFVLYODPDQGKTF-UHFFFAOYSA-N 241.493 2.862 0 50 BFAA OCc1ccccc1-c1nc2ccccc2o1 67757101 PEQZGWHETZOVBL-UHFFFAOYSA-N 225.247 2.987 0 50 BFAA CC(C)n1cc(C(=O)O)c(C(F)(F)F)c1 68955020 VTCMJDWNRUCRSW-UHFFFAOYSA-N 221.178 2.786 0 50 BFAA in-vitro CCOC(COc1ccccc1F)OCC 71863806 QUAGZJIIKHPNPN-UHFFFAOYSA-N 228.263 2.604 0 50 BFAA in-vitro CCC(=O)N[C@@H]1CCCc2cc(OC)ccc21 72117395 MSWGTTJITKZSEK-CYBMUJFWSA-N 233.311 2.599 0 50 BFAA Cc1cn2cc(Br)cc2c(C)n1 148498777 MWPMKRZQELZRIK-UHFFFAOYSA-N 225.089 2.714 0 50 BFAA COC[C@H]1CCN(C[C@@H]2C[C@@H]2c2ccccc2)C1 211177489 GRUSGASPHBKKTJ-CWRNSKLLSA-N 245.366 2.758 0 50 BFAA CC(C)CCNc1ccc([S@](C)=O)cc1 225413666 DRBFCOCMFNIHQB-HNNXBMFYSA-N 225.357 2.882 0 50 BFAA C[C@@H]1CC[C@@H](Sc2nc3ncncc3[nH]2)C1 292639969 LMVNJUUTSNVSBB-HTQZYQBOSA-N 234.328 2.634 0 50 BFAA CC(C)(C)[C@@H]1CCCN(C(=O)c2ncc[nH]2)CC1 668833630 IIYFCDOEZPHIJR-LLVKDONJSA-N 249.358 2.698 0 50 BFAA CC[C@H](c1ccccn1)N(C)C(=O)c1cc[nH]c1 952984544 XPWWEXOMWKIFEO-CYBMUJFWSA-N 243.310 2.633 0 50 BFAA Cn1ccc(-c2cnc3cccc(F)c3c2)n1 1242459746 IIGVGEHKXLDKBC-UHFFFAOYSA-N 227.242 2.774 0 50 BFAA C[C@H](O)CC(C)(C)CN[C@H](C)c1ccsn1 1775989802 BAYASTNCOAIEQC-VHSXEESVSA-N 242.388 2.591 0 50 BFAA O=C(c1ccccc1)C1(O)CCCCC1 155086 QNODIIQQMGDSEF-UHFFFAOYSA-N 204.269 2.565 0 50 BFAA in-vitro CC(C)(C)[C@H](Cc1ccccc1)C(=O)O 161370 UKWWMMXKMDNJEM-LLVKDONJSA-N 206.285 2.976 0 50 BFAA in-vitro COc1ccccc1NC(=O)c1c(C)noc1C 251940 BJWWOXAPPCIESS-UHFFFAOYSA-N 246.266 2.552 0 50 BFAA Cc1ccc(NC(=O)CCN2CCCC2)cc1C 254723 MEYPPOVNRJVADI-UHFFFAOYSA-N 246.354 2.728 0 50 BFAA Cc1csc(NC(=O)c2cccc(F)c2)n1 290720 FTXNGCDNFIQNFC-UHFFFAOYSA-N 236.271 2.843 0 50 BFAA Cc1sc2ccc3ccccc3c2[n+]1CCO 294948 FRJBQHCABZMDRC-UHFFFAOYSA-N 244.339 2.643 0 50 BFAA CCOc1c(C=O)cc(Cl)cc1OC 465889 WJRUGXKKHHNGBD-UHFFFAOYSA-N 214.648 2.560 0 50 BFAA CCN1CCC(N(C)Cc2ccccc2)CC1 757050 ULQDRXMANLKJMZ-UHFFFAOYSA-N 232.371 2.603 0 50 BFAA CC(=O)c1ccc(Cc2cnc(N)s2)cc1 2706874 QILUUSGYHLELNJ-UHFFFAOYSA-N 232.308 2.519 0 50 BFAA CCOC(=O)C(=O)Nc1ccccc1[C@H](C)CC 2747914 QQLAHVIBAXZEFX-SNVBAGLBSA-N 249.310 2.702 0 50 BFAA CCCNC(=O)N[C@H](C)c1cccs1 2987651 WQZXJOCLGLMHIZ-MRVPVSSYSA-N 212.318 2.518 0 50 BFAA COc1ccccc1NC(=O)NCc1ccco1 3063382 POQYEFCKAABNKO-UHFFFAOYSA-N 246.266 2.610 0 50 BFAA COCCCNCc1c(F)cccc1Cl 6169772 REYBRFRYPJYVQQ-UHFFFAOYSA-N 231.698 2.605 0 50 BFAA Cc1ccc(NC(=O)CC[C@H]2CCCCO2)nc1 110179096 MRDITBLRBFWUIG-GFCCVEGCSA-N 248.326 2.678 0 50 BFAA O=Cc1cc(OCCF)ccc1Br 128701801 NLIPSXXCMWRHPN-UHFFFAOYSA-N 247.063 2.610 0 50 BFAA N[C@@H]1CCCC[C@@H]1OCc1cc(F)ccc1F 136332954 IRBCWIBVKKARMS-OLZOCXBDSA-N 241.281 2.751 0 50 BFAA C[C@@]1(O)C2C[C@H]3C4CC5C[C@@H]3C1[C@H](C5)[C@H]4C2 248028764 OSSAWQZYLMHALX-JIFYKIPZSA-N 218.340 2.686 0 50 BFAA CC1(C)CCCC[C@@H]1N[C@@H]1C[C@H]2CC[C@H]1O2 251220543 ZMWLHAXKCXJGDR-LPWJVIDDSA-N 223.360 2.865 0 50 BFAA CC1=C(c2ccco2)CN(C(=O)[C@H]2C[C@H]2C)CC1 253392176 QBOJTNKCMHCVNI-NEPJUHHUSA-N 245.322 2.941 0 50 BFAA C[C@H]1CN([C@H]2CCC[C@@H](C)C2)C[C@H](C)O1 299872866 WUHLISYYNMBQLL-VOAKCMCISA-N 211.349 2.674 0 50 BFAA CC[C@@H](OC)C(=O)NC1(c2cccc(C)c2)CC1 822551403 IWJRMWPQWZRTRD-CYBMUJFWSA-N 247.338 2.525 0 50 BFAA O=C(Nc1cccnc1)[C@@H]1C[C@@H]1c1ccccc1 140075 WTOILWVPRTVEAN-ZIAGYGMSSA-N 238.290 2.824 0 50 BFAA COc1ccc(NC(=O)C=C(C)C)c(OC)c1 145616 DZBXAHATMWOJBT-UHFFFAOYSA-N 235.283 2.609 0 50 BFAA Cc1cc2nc(SCCN(C)C)[nH]c2cc1C 191589 DXJWDGAAWVUQOO-UHFFFAOYSA-N 249.383 2.833 0 50 BFAA CC(=O)C1=C(Nc2ccc(C)c(C)c2)CCC1=O 287621 JAECPRCEYAFESZ-UHFFFAOYSA-N 243.306 2.921 0 50 BFAA C[C@@H]1CCCCN1C(=O)Cc1ccc(F)cc1 302879 AMPWYUIBWBLDRH-LLVKDONJSA-N 235.302 2.769 0 50 BFAA Cc1nc(-c2ccc(Br)cc2)no1 341621 YWBIOYGLRGIJRT-UHFFFAOYSA-N 239.072 2.808 0 50 BFAA in-vitro NC(=O)[C@H]1CC2c3ccccc3C1c1ccccc12 401170 BDIDGNORHMTFLX-PCKAHOCUSA-N 249.313 2.769 0 50 BFAA Cc1cc(C)cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)c1 614069 FLSVENHLGXMUBV-CHWSQXEVSA-N 247.338 2.553 0 50 BFAA Cc1c(Br)c(C(F)(F)F)nn1C 2540149 IFCNTZRBBLIUMD-UHFFFAOYSA-N 243.026 2.510 0 50 BFAA in-vitro CCOC(=O)C[C@H](N)c1ccc(C(C)C)cc1 2553903 QYECSIUAFGVMLM-ZDUSSCGKSA-N 235.327 2.763 0 50 BFAA Cc1cc(F)ccc1CC1CCNCC1 2555449 SQUYQGJDAZQSAI-UHFFFAOYSA-N 207.292 2.676 0 50 BFAA in-vitro CSc1ccc(Br)cc1C(=O)O 2584154 JRDNZLIFVSCBHM-UHFFFAOYSA-N 247.113 2.869 0 50 BFAA Cc1ccc(/C=C\c2cc[n+](C)cc2)cc1 12410313 XABDVWTUAYITBF-FPLPWBNLSA-N 210.300 2.990 0 50 BFAA CC(C)CNC(=O)c1ccc(-n2cccc2)cc1 17128267 JMESQDNXTZKHMN-UHFFFAOYSA-N 242.322 2.863 0 50 BFAA O=C(NC1CC1)c1ccc(-c2ccncc2)cc1 32578198 CZBGYKUDPAPUEZ-UHFFFAOYSA-N 238.290 2.641 0 50 BFAA CC(=O)c1ccc(Br)cc1C 40435141 UJPLWOQOYGUXEF-UHFFFAOYSA-N 213.074 2.960 0 50 BFAA in-vitro F[C@H](c1cccc(Cl)n1)C1CCNCC1 48564182 FVQRKBMBXWCFOH-NSHDSACASA-N 228.698 2.745 0 50 BFAA Cc1ccc2nc(CN3CC=CCC3)[nH]c2c1C 67821836 OYZHGILJOOMDCS-UHFFFAOYSA-N 241.338 2.942 0 50 BFAA COCc1ccc(NC(=O)C2CCCC2)cc1 195221425 NBJLKTQLAGVXDF-UHFFFAOYSA-N 233.311 2.962 0 50 BFAA Oc1ccnc(C(F)(F)F)c1Br 238728568 KZJZFSMPMXKQCT-UHFFFAOYSA-N 241.994 2.569 0 50 BFAA CC[C@H](C)c1cc(C(=O)N2C[C@H]3CC[C@H]2C3)on1 246744172 FNHXCWKSCDJARJ-DCAQKATOSA-N 248.326 2.813 0 50 BFAA CC[C@H](NC(=O)CC(C)=C(C)C)[C@@H](O)C(C)C 585132216 QQJLGKIRUHUJEX-JSGCOSHPSA-N 241.375 2.645 0 50 BFAA CCSC[C@@H](C)N1CCC(CCOC)CC1 670439375 COOSIIFILKTTEN-GFCCVEGCSA-N 245.432 2.877 0 50 BFAA CCc1c(-c2cc(C)ccc2OC)cnn1C 1506418083 OKKNDWAQXUCBRN-UHFFFAOYSA-N 230.311 2.967 0 50 BFAA c1coc(CN=c2[nH]oc3c2CCCCC3)c1 1875280100 UNISTQZIUZZYTA-UHFFFAOYSA-N 232.283 2.571 0 50 BFAA COc1ccc([C@@H]2NCCc3sccc32)cc1 107355 YZMKEDMYYJQGRD-AWEZNQCLSA-N 245.347 2.992 0 50 BFAA COc1ccc(NCc2ccncc2)cc1 242145 WUEBHOAMPRBYTA-UHFFFAOYSA-N 214.268 2.702 0 50 BFAA CCOC(OCC)c1cnc2ccccc2n1 332411 RVVKHVPCYHFBMO-UHFFFAOYSA-N 232.283 2.701 0 50 BFAA COc1ccc([C@H]2CCCCC2=O)cc1 399525 BEBTXYAQBNBPJY-GFCCVEGCSA-N 204.269 2.922 0 50 BFAA in-vitro O=C(O)c1cccnc1Nc1ccccc1 1394979 UUMMTMQODCACRH-UHFFFAOYSA-N 214.224 2.523 0 50 BFAA in-vitro CCOC(=O)c1ccc(OC)c(Cl)c1 2545423 HEKNQCPDISZPCL-UHFFFAOYSA-N 214.648 2.525 0 50 BFAA in-vitro Nc1nc2ccc(C(F)(F)F)cc2s1 2562250 WEDYEBJLWMPPOK-UHFFFAOYSA-N 218.203 2.897 0 50 BFAA in-vitro CC(=O)[C@@H]1CCCC(=O)[C@@H]2CC[C@@H](C)[C@@H]12 4114362 FVYBONJZCMSLFD-BQUSMCMVSA-N 208.301 2.607 0 50 BFAA C(=C/c1ccccc1)\CNCc1cccnc1 4450510 GLJKRLDTIUUHAT-XBXARRHUSA-N 224.307 2.885 0 50 BFAA COCCNCc1ccc(Cl)c(Cl)c1 4700169 JJMCCHQJHLDLGI-UHFFFAOYSA-N 234.126 2.729 0 50 BFAA O=C(CCc1ccsc1)Nc1cccnc1 19939099 QRXISWRVMHPNAX-UHFFFAOYSA-N 232.308 2.714 0 50 BFAA CCCCc1nc(-c2ccc(N)cc2)no1 35696877 RKRGCIOQJUMXNY-UHFFFAOYSA-N 217.272 2.661 0 50 BFAA NCC1(N2CCCCCC2)CCCCC1 38986345 ZZAIMEBDRZFIHM-UHFFFAOYSA-N 210.365 2.524 0 50 BFAA COc1ccc(Cl)c(C(=O)O)c1Cl 85210443 OBKVMDOVZJEWEF-UHFFFAOYSA-N 221.039 2.700 0 50 BFAA in-vitro CC[C@H](C(=O)O)c1ccc(N)c(Cl)c1 116606246 APKGOXFOTBQTLW-ZETCQYMHSA-N 213.664 2.500 0 50 BFAA CC(C)c1cccnc1Br 141932429 JEBINPKMSQABNA-UHFFFAOYSA-N 200.079 2.968 0 50 BFAA C[C@@H]1CC(=O)c2cc([Si](C)(C)C)oc2C1 169834505 YXGRYCNLTBDNHX-MRVPVSSYSA-N 222.360 2.590 0 50 BFAA NC(=O)Cc1cccc(OCCC2CCCC2)c1 187131740 FMLMSACSARYNFS-UHFFFAOYSA-N 247.338 2.674 0 50 BFAA O=C(Nc1ccccc1)N[C@H]1C[C@H]2CC[C@H]1C2 225244601 LGVCWSXOBDLSSP-GVXVVHGQSA-N 230.311 2.997 0 50 BFAA C[C@H]1CCCCC[C@H]1Nc1nc(C(=O)O)co1 228316285 RUGJNYCLKMCRMG-DTWKUNHWSA-N 238.287 2.754 0 50 BFAA Cc1ccoc1CNC[C@H]1CCO[C@@H]1C(C)C 267211719 BPHNCKPTFIAEIF-TZMCWYRMSA-N 237.343 2.739 0 50 BFAA C1COC[C@H](N[C@@H]2CCCC23CCCC3)C1 328061251 BNGBAEXONFHZLQ-CHWSQXEVSA-N 223.360 2.868 0 50 BFAA C=CC(=O)NCc1ccc(-c2csc(C)n2)o1 585122712 PNPONLJJTDYFRX-UHFFFAOYSA-N 248.307 2.514 0 50 BFAA C=CC(=O)N1CC2(CCCC2)[C@@H]1c1ccco1 863971162 HLPIGZLNUDDGRU-ZDUSSCGKSA-N 231.295 2.909 0 50 BFAA C=CC(=O)N[C@@H]1C[C@@H](C)c2ccccc21 888102391 UNNDJBFQJLJXBU-BXKDBHETSA-N 201.269 2.537 0 50 BFAA C=CC(=O)Nc1ccc(-c2ccccc2)nc1 1772718328 QTWQFEORVFBYMM-UHFFFAOYSA-N 224.263 2.873 0 50 BFAA C[C@H](ONC(=O)[C@H]1C=CCCC1)c1ccncc1 1875298154 PQAYWBDGCJQVKZ-AAEUAGOBSA-N 246.310 2.547 0 50 BFAA Cc1ccc(C(=O)Nc2cccc(O)c2)cc1 188566 IWBFDNSNIZBSOW-UHFFFAOYSA-N 227.263 2.953 0 50 BFAA O=C(O)C[C@H]1CCC[C@H](c2ccccc2)C1=O 276953 WTBDYAFOVHATCN-VXGBXAGGSA-N 232.279 2.614 0 50 BFAA biogenic CCc1ccc(CNC[C@H]2CCCO2)cc1 299720 XBUDNMPAZHJEHW-CQSZACIVSA-N 219.328 2.518 0 50 BFAA in-vitro C[C@H](Sc1nnc(N)s1)c1ccccc1 341761 WUTIQTORPJRSTB-ZETCQYMHSA-N 237.353 2.974 0 50 BFAA CC(=O)Nc1ccc2[nH]c(=S)sc2c1 389891 IIVNZXCXHJAXHD-UHFFFAOYSA-N 224.310 2.917 0 50 BFAA CC(=O)Oc1c(C)cc(O)c2ccccc12 405913 JPUZRBGFEWQQEW-UHFFFAOYSA-N 216.236 2.779 0 50 BFAA Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCO2)c(C)c1 1002255 SYHZQNBMJCXCSO-OCCSQVGLSA-N 247.338 2.660 0 50 BFAA Nc1nc(Cl)nc2cc(Cl)ccc12 2026595 MRSMJCRTQBMITN-UHFFFAOYSA-N 214.055 2.519 0 50 BFAA Cn1cnc2cc(C(F)(F)F)ccc21 2386357 FZMXBWXWQILZPU-UHFFFAOYSA-N 200.163 2.592 0 50 BFAA in-vitro Fc1ccccc1CCC1CCNCC1 4312793 JIRKOHSBZDIZRK-UHFFFAOYSA-N 207.292 2.758 0 50 BFAA in-vitro O=C(O)/C=C/c1ccccc1Br 4977543 OMHDOOAFLCMRFX-AATRIKPKSA-N 227.057 2.547 0 50 BFAA in-vitro O=C(Nc1ccccc1)n1nnc2ccccc21 5484029 ZSQPWIRBCUQHBN-UHFFFAOYSA-N 238.250 2.512 0 50 BFAA CC(C)(C)OC(=O)NCc1ccccc1 6761762 FWOBBEOKTITUHK-UHFFFAOYSA-N 207.273 2.711 0 50 BFAA C[C@H]1C[C@@H]1C(=O)NC1CCCCCCC1 13329319 SEFREKPHHHXHTH-JQWIXIFHSA-N 209.333 2.872 0 50 BFAA Cc1nn(-c2ccc(Cl)cc2)c(C)c1C=O 19428485 PXADITRBANJNSZ-UHFFFAOYSA-N 234.686 2.955 0 50 BFAA COc1cc(Cl)c(Cl)cc1[N+](=O)[O-] 34300879 QFQSBAMTGUKFKS-UHFFFAOYSA-N 222.027 2.910 0 50 BFAA CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@H]2C1 113973371 COUZDDDNQCVUDL-NXEZZACHSA-N 211.305 2.653 0 50 BFAA in-vitro COC(=O)c1ccc2ncc(Cl)cc2c1 114080036 LIVVYLNBAYBNDP-UHFFFAOYSA-N 221.643 2.675 0 50 BFAA O=C(c1ccccc1)C1CCN(CCCF)CC1 119161358 ASGCBHYJYIJRSX-UHFFFAOYSA-N 249.329 2.941 0 50 BFAA Cc1c(Br)ccc(C=O)c1F 169796409 MZMATWTWGBSSRX-UHFFFAOYSA-N 217.037 2.709 0 50 BFAA C[C@@H]1OCC[C@@H]1Nc1cccc2ccn(C)c12 188778850 DNJJKGRELOJJTQ-JQWIXIFHSA-N 230.311 2.768 0 50 BFAA Cc1ccc(CN(C)C(=O)c2ccn(C)c2C)o1 194949551 RRGZGLMZPRWIEG-UHFFFAOYSA-N 246.310 2.507 0 50 BFAA C[C@@H]1CCCCC[C@H]1Nc1nc(C(=O)O)co1 228316278 RUGJNYCLKMCRMG-RKDXNWHRSA-N 238.287 2.754 0 50 BFAA CC(C)n1ccc(C(=O)N[C@H]2C[C@]2(C)C(C)C)n1 408520033 PGHXUNMZTUIGFX-GXTWGEPZSA-N 249.358 2.628 0 50 BFAA CC(F)(F)COc1cc(F)ccc1C(=O)O 575444450 ZHSGCBLKDXWMHZ-UHFFFAOYSA-N 234.173 2.558 0 50 BFAA Cc1[nH]nc(CN2CCc3cccc(F)c32)c1C 894783393 STQMDBRIOZYRJW-UHFFFAOYSA-N 245.301 2.728 0 50 BFAA CC(C)(C)OC(=O)Cn1ccc2c(N)cccc21 958717056 KYIJLLAXPPJCFE-UHFFFAOYSA-N 246.310 2.565 0 50 BFAA Cc1cccn2ncc(-c3nccn3C3CC3)c12 1940195775 LUCOGVBBNRKLKY-UHFFFAOYSA-N 238.294 2.841 0 50 BFAA CCc1cc(-c2ccnc3[nH]ccc23)n(C)n1 2325873449 HOZDAUVOLYTENB-UHFFFAOYSA-N 226.283 2.526 0 50 BFAA S=C(NC1CCCCC1)NC1CCCC1 98565 NYXVQBLQJVFNMU-UHFFFAOYSA-N 226.389 2.726 0 50 BFAA COc1cc(CO)ccc1OCc1ccccc1 119795 PDBXFVPMVYQICB-UHFFFAOYSA-N 244.290 2.767 0 50 BFAA in-vitro Nc1ccccc1C(=O)Nc1ccc(F)cc1 152528 CVDGBBCJEMBUAZ-UHFFFAOYSA-N 230.242 2.660 0 50 BFAA in-vitro O=C(O)c1cc2cc(OC(F)(F)F)ccc2[nH]1 161561 DJJJSHFPEISHFN-UHFFFAOYSA-N 245.156 2.765 0 50 BFAA COCC(=O)Nc1ccc(-c2ccccc2)cc1 402149 WEIBZBIFXJWFFP-UHFFFAOYSA-N 241.290 2.939 0 50 BFAA CCC[C@@H](C)NC(=O)CCc1ccccc1 2191074 BSXVMJIPVITBTM-GFCCVEGCSA-N 219.328 2.924 0 50 BFAA biogenic Cc1cccn2cc(-c3ccc(N)cc3)nc12 2455777 GWBJQNMMOJBUIU-UHFFFAOYSA-N 223.279 2.892 0 50 BFAA in-vitro CCOc1cc(C(=O)O)cc(Cl)c1OCC 4705228 MEADRIRYKFSBDO-UHFFFAOYSA-N 244.674 2.836 0 50 BFAA CC1(C)N=C(c2cccs2)C(C)(C)N1O 4784590 WFCQSJHRCDPGEU-UHFFFAOYSA-N 224.329 2.757 0 50 BFAA CC(C)(C)c1nnc(Br)s1 11920183 NTCALTKEJCVOMO-UHFFFAOYSA-N 221.123 2.598 0 50 BFAA in-vitro Brc1ccc(C2=NCCS2)cc1 19925115 GQODWBBIGYWREA-UHFFFAOYSA-N 242.141 2.943 0 50 BFAA CCOC(=O)c1scnc1-c1ccccc1 28109744 VUBSBLCFFDSRJO-UHFFFAOYSA-N 233.292 2.987 0 50 BFAA CCOc1cccc(C[C@H]2CCCCN2)c1 32099147 INSYCLXYCANENF-CYBMUJFWSA-N 219.328 2.770 0 50 BFAA in-vitro COc1cc(Br)ccc1C(C)=O 34409270 KYZHKXMHJFOQPM-UHFFFAOYSA-N 229.073 2.660 0 50 BFAA in-vitro Clc1ccc(CO[C@H]2CCCNC2)cc1 42775998 LNVBQWAVNHQRNP-LBPRGKRZSA-N 225.719 2.609 0 50 BFAA O[C@@]1(c2ccccc2)CCCC[C@@H]1n1ccnc1 71766379 RUDCNMBGHILUDS-LSDHHAIUSA-N 242.322 2.886 0 50 BFAA Cc1c(Cl)ccc(Br)c1N 82008946 IWFNVSLNDDOXOZ-UHFFFAOYSA-N 220.497 2.993 0 50 BFAA CCn1cc(OCc2nc(C)c(C)s2)cn1 170598614 PIMHCFOEQQAPLF-UHFFFAOYSA-N 237.328 2.555 0 50 BFAA C[C@@H]1CC[C@H](NCCC2(C)OCCO2)C[C@H]1C 241564243 OSPWUGLXNLFSQX-UPJWGTAASA-N 241.375 2.554 0 50 BFAA CCCOc1c(F)cc(O)c(C)c1F 261493521 CSTYMNKGFJDCFU-UHFFFAOYSA-N 202.200 2.768 0 50 BFAA CC(C)C(=O)N1CCCc2sccc2C1 593246039 ANUHKXHWGLJKMO-UHFFFAOYSA-N 223.341 2.679 0 50 BFAA Cc1cc([C@@H](C)NCc2cccnc2C)no1 669686777 LKNHCBGEUPFJAG-LLVKDONJSA-N 231.299 2.537 0 50 BFAA CC1(C)CCc2nnc(-c3ccccc3)n2C1 952993541 YWJWGDUZJIURRM-UHFFFAOYSA-N 227.311 2.918 0 50 BFAA C=CC(=O)N1CC[C@H](C)[C@H]1c1ccccc1 1338395870 YPGBWMZBSKRTJO-FZMZJTMJSA-N 215.296 2.782 0 50 BFAA Cc1cc(C(=O)N2CCC2)c2cccnc2c1C 2325798443 ISWNRBFOICSRBP-UHFFFAOYSA-N 240.306 2.698 0 50 BFAA CCc1cc(-c2cnc3cnccn23)ccc1O 2356163965 YSZHHOQZPBDABX-UHFFFAOYSA-N 239.278 2.664 0 50 BFAA CCc1ccc(C(=O)Nc2cccnc2)cc1 243356 IPDICMPQYSSNJD-UHFFFAOYSA-N 226.279 2.896 0 50 BFAA O=C1OCC[C@H]1Sc1cccc2cccnc12 617192 FZSIUQSONPUERC-LLVKDONJSA-N 245.303 2.642 0 50 BFAA CCOc1ccc2[nH]c(C(=O)O)c(C)c2c1 4553622 QGVRVUINZPXFMX-UHFFFAOYSA-N 219.240 2.573 0 50 BFAA O=C(Nc1nccs1)c1ccc(F)cc1F 6788434 KGCOGJISXUNQBT-UHFFFAOYSA-N 240.234 2.674 0 50 BFAA COc1cccc(-c2nc(C(=O)O)cs2)c1 12336801 AQWFWIIMHLYERJ-UHFFFAOYSA-N 235.264 2.517 0 50 BFAA in-vitro Cc1cccc(-c2csc(C(=O)O)n2)c1 12404816 ZMIPLPQTKFBYKB-UHFFFAOYSA-N 219.265 2.817 0 50 BFAA in-vitro CO[C@@H](C)c1cccc(-c2ccnc(CO)c2)c1 32558292 YFWIVDRUSIYTOH-NSHDSACASA-N 243.306 2.948 0 50 BFAA CCOC(=O)c1cc(Cl)ccc1OC 34569301 PYWOQQOGGYVMFM-UHFFFAOYSA-N 214.648 2.525 0 50 BFAA CCc1ccc([C@@H](C)[C@H](C(C)=O)C(=O)O)cc1 43190897 GJVNRNNEIQSOIK-NOZJJQNGSA-N 234.295 2.642 0 50 BFAA O=C1CC[C@@H]2[C@@H]1C=CC21SCCCS1 45072257 VLGFSYYRLIRPBV-DTWKUNHWSA-N 226.366 2.718 0 50 BFAA Nc1cc(C(F)(F)F)c2cc(F)ccc2n1 66322682 KVVQBWAJXISTTM-UHFFFAOYSA-N 230.164 2.975 0 50 BFAA COc1ncc(Br)cc1C(F)F 107267710 AJNHTTUMXPNNAH-UHFFFAOYSA-N 238.031 2.790 0 50 BFAA in-vitro CSc1ccc(CN[C@@H](C)C[C@@H](C)O)cc1 164464784 SVDQYZAAKNTXJE-WDEREUQCSA-N 239.384 2.658 0 50 BFAA Cc1nccnc1-c1ccc(N)c(Cl)c1 220334711 NFKIJODCBPATHH-UHFFFAOYSA-N 219.675 2.688 0 50 BFAA Nc1nc2c(Br)cc(Cl)cc2[nH]1 238605004 GVOJGYGGWAPZRD-UHFFFAOYSA-N 246.495 2.561 0 50 BFAA NC(=O)[C@]1(Cc2ccccc2)C[C@H]2CC[C@H]1C2 245339004 PXFSJZPKGPLERE-KCQAQPDRSA-N 229.323 2.521 0 50 BFAA Cc1ccc(-c2c(F)cncc2F)cn1 669379304 BIMQUKDXTIFQDN-UHFFFAOYSA-N 206.195 2.730 0 50 BFAA O=C(Nc1ccc(F)nc1)N1CCC12CCCC2 844560699 QOQTUASHKSINKV-UHFFFAOYSA-N 249.289 2.771 0 50 BFAA CC[C@@H](C)C[C@H](C)Nc1nc(C)cc(O)n1 1614456588 MBDRENWNANXXOI-BDAKNGLRSA-N 223.320 2.727 0 50 BFAA CC[C@@]12C[C@@H]1CN(Cc1ccccc1C(=O)O)C2 1772815767 WARXVOHCFGTYLM-DOMZBBRYSA-N 245.322 2.617 0 50 BFAA C[n+]1ccccc1-c1nc2ccccc2s1 226211 UJAGAFQXXDTEBG-UHFFFAOYSA-N 227.312 2.788 0 50 BFAA CC(=O)N(c1ccccc1)[C@@H](C)C1CC1 392691 IPPIQXVCIYXHBG-JTQLQIEISA-N 203.285 2.838 0 50 BFAA O=CNC1c2ccccc2CCc2ccccc21 1736675 UWZWVIXWBAYFRW-UHFFFAOYSA-N 237.302 2.621 0 50 BFAA CC1CCC(NCC(C)(C)CN(C)C)CC1 3683493 BHUZNYKOYFZPQG-UHFFFAOYSA-N 226.408 2.743 0 50 BFAA CCSc1ccccc1-c1nnc(N)s1 4234710 UGKHHSGIBXXKLI-UHFFFAOYSA-N 237.353 2.899 0 50 BFAA Cc1cccc(NC(=O)CN2CCCCC2)c1C 5508763 JOFSALNFRAQPMX-UHFFFAOYSA-N 246.354 2.728 0 50 BFAA CCc1cccc(CC)c1-n1cnc(C(=O)O)c1 12404850 MFSBMCOEPVWHDG-UHFFFAOYSA-N 244.294 2.695 0 50 BFAA CCCc1ccc(C(=O)NC[C@@H]2CCCO2)cc1 13331131 ZCGIIKXSWBFCDF-AWEZNQCLSA-N 247.338 2.548 0 50 BFAA Cc1nc2ccc(C(=O)O)cc2c2c1C[C@@H](C)O2 19735261 HZMWUIGUTIJYJZ-SSDOTTSWSA-N 243.262 2.565 0 50 BFAA biogenic CCc1ccccc1O[C@H](C)C(=O)NC(C)C 19931416 NZGZRLCEZPFVLY-LLVKDONJSA-N 235.327 2.541 0 50 BFAA CNc1ccc(F)cc1Br 20430873 NRMQPVYJNLONGN-UHFFFAOYSA-N 204.042 2.630 0 50 BFAA in-vitro CCCC(=O)Nc1ccccc1-c1nc(C)no1 22462909 YWMNCJIEPNATHM-UHFFFAOYSA-N 245.282 2.784 0 50 BFAA Oc1cc2cc(Br)ccc2cn1 38537222 MZXOHGOCNRWAPY-UHFFFAOYSA-N 224.057 2.703 0 50 BFAA in-vitro CC(C)c1nccn1-c1ccc(CCO)cc1 65371026 KGVMMLJQEVNFMF-UHFFFAOYSA-N 230.311 2.531 0 50 BFAA Cc1noc(CN(C)C[C@@H](C)c2ccccc2)n1 65371693 MGZHEEYUELLDMM-LLVKDONJSA-N 245.326 2.614 0 50 BFAA Cc1nn(C)c(Cl)c1C(=O)c1cccs1 71773262 PWHJXBHJEPJXLK-UHFFFAOYSA-N 240.715 2.674 0 50 BFAA Cc1cc(NC(=O)OC(C)(C)C)ccn1 75290439 KWYQHZAEXXBEGZ-UHFFFAOYSA-N 208.261 2.737 0 50 BFAA in-vitro Cc1nc(C(=O)O[C@H]2C[C@H]3CC[C@H]2C3)cs1 225356639 NEWRVYYBSOFQEK-QXEWZRGKSA-N 237.324 2.797 0 50 BFAA CC[C@@H](c1ccccc1)N1CC[C@]2(CCNC2)C1 261569912 KDBAPHWLHLWOKM-HOTGVXAUSA-N 244.382 2.823 0 50 BFAA F[C@@H]1CCCN(c2nccc3occc23)C1 334925783 GJLADGPTYNNLGG-SECBINFHSA-N 220.247 2.766 0 50 BFAA COc1ccc(-c2cccc(C=O)c2)cc1C=O 725242648 QCINKOWCXLAOKD-UHFFFAOYSA-N 240.258 2.987 0 50 BFAA C=CC(=O)Nc1ccc(F)cc1SC 1120554573 RVPYVIBGSTWTHH-UHFFFAOYSA-N 211.261 2.672 0 50 BFAA COc1ccccc1NC(=O)c1ccco1 64758 YLJBQYLAGGHKAM-UHFFFAOYSA-N 217.224 2.541 0 50 BFAA CCc1sc(N)nc1-c1ccc(OC)cc1 350026 QHRCVGXBBIRPTE-UHFFFAOYSA-N 234.324 2.963 0 50 BFAA in-vitro c1ccc(CN2CCC(N3CCCC3)CC2)cc1 393557 MJCJSVVXJWKCAQ-UHFFFAOYSA-N 244.382 2.747 0 50 BFAA O=C1c2ccccc2OCOc2ccccc21 436292 FNVGZXGJWNWWMY-UHFFFAOYSA-N 226.231 2.646 0 50 BFAA O=S1c2ccccc2-c2ccccc21 1688627 NGDPCAMPVQYGCW-UHFFFAOYSA-N 200.262 2.834 0 50 BFAA in-vitro Cc1ccc(CC2CCNCC2)cc1C 2555454 UGDSMWFVBHRRCG-UHFFFAOYSA-N 203.329 2.846 0 50 BFAA O=C(O)CSCc1c(F)cccc1Cl 2866509 CCGYUPNKDSPQBG-UHFFFAOYSA-N 234.679 2.797 0 50 BFAA COc1cc(C)c(CC(=O)O)cc1C(C)C 3750808 CXPFDTMEYYLMDZ-UHFFFAOYSA-N 222.284 2.754 0 50 BFAA in-vitro Cc1cc(C)n(Cc2ccc(Cl)nc2)n1 4089497 BRBWPBUHWRCSJS-UHFFFAOYSA-N 221.691 2.597 0 50 BFAA CCOc1cccc(CNC(C)(C)C)c1 6702963 OQVWNEBBSFSMIK-UHFFFAOYSA-N 207.317 2.973 0 50 BFAA C[C@@H]1CN(Cc2ccccc2Cl)C[C@@H](C)O1 19607241 WIZYVZWLXIGLSO-GHMZBOCLSA-N 239.746 2.949 0 50 BFAA CCN(CCN(C)C)C1CCCCCCC1 19636319 PKCNZXNJGCCMRP-UHFFFAOYSA-N 226.408 2.983 0 50 BFAA c1cc2nncn2nc1NC1CCCCCCC1 32096829 WITOIUOAIADTGD-UHFFFAOYSA-N 245.330 2.649 0 50 BFAA CC(C)(C)OC(=O)N1CCc2ccc(O)cc21 71625114 SXNCTPYZLPTVSQ-UHFFFAOYSA-N 235.283 2.690 0 50 BFAA C[C@H](O)[C@@H](C)SCc1cnc(Cl)s1 121203783 BMOHUSFVERKVPN-NTSWFWBYSA-N 237.777 2.799 0 50 BFAA CC(C)Sc1nnc(-c2ccc[nH]2)o1 121839555 XPYTYRCRNCCKPM-UHFFFAOYSA-N 209.274 2.565 0 50 BFAA C[C@H](C(=O)Nc1cccnc1)c1ccccc1 163509520 SJSPMOPYTYMRKU-NSHDSACASA-N 226.279 2.824 0 50 BFAA C[C@H]1CN(C(=O)NCC2CC2)[C@@H]1c1ccccc1 170004148 IYNCISVLLJACPG-FZMZJTMJSA-N 244.338 2.799 0 50 BFAA O=C([C@H]1C[C@H]1C1CCC1)N1CCC12CCC2 170020963 IHUMYFAKSPOQLI-RYUDHWBXSA-N 219.328 2.578 0 50 BFAA CSC1(CNc2ccccn2)CCC1 227986565 WICLNSSSZOKOBL-UHFFFAOYSA-N 208.330 2.779 0 50 BFAA N=C(O)[C@@]12CCC[C@@H]1CN(Cc1ccccc1)C2 328603568 GOTGZRRKJNIMAS-UKRRQHHQSA-N 244.338 2.824 0 50 BFAA Fc1cncc(CSc2ccncc2)c1 336417244 WIONUEHUFOBXEU-UHFFFAOYSA-N 220.272 2.908 0 50 BFAA O=C(N[C@@H]1CC=CCC1)[C@H]1CCC(F)(F)C1 336538156 XEDYOJLVZQBAAH-VHSXEESVSA-N 229.270 2.647 0 50 BFAA CCOc1ncccc1-c1nc(C)ncc1C 426683740 FJDQQPIAWZTETP-UHFFFAOYSA-N 229.283 2.554 0 50 BFAA Fc1cccc(/C=C/Br)n1 685964526 KXXXOHDHDDHFMW-SNAWJCMRSA-N 202.026 2.586 0 50 BFAA C=CC(=O)Nc1ccc2c(c1)nc(C1CC1)n2C 791388867 CFGLPURFECBQLM-UHFFFAOYSA-N 241.294 2.575 0 50 BFAA C=CC(=O)N[C@@H](C)c1c(C)cc(C)cc1C 1775997697 KCDVPFJRPTYBGP-LBPRGKRZSA-N 217.312 2.975 0 50 BFAA COc1ccc(C(=O)Nc2ccc(C)cn2)cc1 30279 WJKNHVIDFXKZCT-UHFFFAOYSA-N 242.278 2.651 0 50 BFAA CCOc1ccc2c(c1)c(C(=O)O)c(C)n2C 52711 DGKXGJBXPMIZTK-UHFFFAOYSA-N 233.267 2.584 0 50 BFAA OC1CCN(Cc2ccc3ccccc3c2)CC1 239465 NSBMONADDBJQIW-UHFFFAOYSA-N 241.334 2.797 0 50 BFAA CC(C)c1ncc([C@H](O)c2ccccc2)n1C 525746 PBOSUJQHYYRGHM-CYBMUJFWSA-N 230.311 2.625 0 50 BFAA CN1CCC[C@@H]1c1c[nH]c2ccccc12 2029416 FNTDGCHSJHAFAV-CYBMUJFWSA-N 200.285 2.935 0 50 BFAA COCc1ccccc1Br 2511692 QFAZLCRHLRJNAW-UHFFFAOYSA-N 201.063 2.596 0 50 BFAA in-vitro C[C@@H]1CN(C)[C@H](C)C[C@]1(CCN)c1ccccc1 4031405 XTILSTQWLFVMKB-FMKPAKJESA-N 246.398 2.633 0 50 BFAA O=C(C(F)(Cl)Cl)C(F)(Cl)Cl 4329310 MXYOKVCIXGJEFW-UHFFFAOYSA-N 231.840 2.757 0 50 BFAA in-vitro Nc1nc2c(OC(F)(F)F)cccc2s1 20432678 YSURRMGJTOKALN-UHFFFAOYSA-N 234.202 2.777 0 50 BFAA in-vitro O=C(NC1CC1)c1cccnc1-c1ccsc1 32541620 YKCQYNOKVPNNHB-UHFFFAOYSA-N 244.319 2.702 0 50 BFAA O[C@H](c1ccccc1)c1ccncc1Cl 35287471 ASILDIOFOLPMLX-GFCCVEGCSA-N 219.671 2.817 0 50 BFAA Clc1nc(NC2CCC2)c2cc[nH]c2n1 115045247 BYJZKZMTGMRTMT-UHFFFAOYSA-N 222.679 2.576 0 50 BFAA O=c1[nH]ccc2cc(C3CC3)cc(F)c12 116943471 LDOIRSRUYDIUTP-UHFFFAOYSA-N 203.216 2.545 0 50 BFAA Cc1ccc(C[C@]2(O)C[C@@H](C)N(C)C[C@H]2C)cc1 239174244 PPFGJYUAWQBXHF-IIAWOOMASA-N 247.382 2.629 0 50 BFAA CC(C)Oc1ncc(C(F)(F)F)cc1O 261494193 RSBFFPZBXONROT-UHFFFAOYSA-N 221.178 2.593 0 50 BFAA Cc1cc(Br)c(CO)cc1Cl 299805239 DYYBOAXQOAZGEA-UHFFFAOYSA-N 235.508 2.903 0 50 BFAA COc1cc2nc(N(C)C)cc(C)c2cc1OC 1704348456 NLRRBPZIRCCPDE-UHFFFAOYSA-N 246.310 2.626 0 50 BFAA C=CC(=O)NC[C@@H]1C[C@@H](OC(C)(C)C)C1(C)C 1875368172 WZSOFMSEPMQHNH-WDEREUQCSA-N 239.359 2.518 0 50 BFAA CCN(Cc1ccncc1)C(=O)c1cccs1 29372 ZVEUBXMUKNICPA-UHFFFAOYSA-N 246.335 2.805 0 50 BFAA COc1ccc2[nH]cc(CCNC(C)C)c2c1 94212 QQZJNZJNPDORBO-UHFFFAOYSA-N 232.327 2.717 0 50 BFAA in-vitro c1ccc(CCC2=NCCn3cccc32)cc1 300843 ZESLXYXTEXXGOI-UHFFFAOYSA-N 224.307 2.924 0 50 BFAA Cn1c(CNC2CCCCC2)nc2ccccc21 301608 UQKKSTITHUVMOF-UHFFFAOYSA-N 243.354 2.996 0 50 BFAA Cc1occc1C(=O)NCCc1ccccc1 474622 LWRCKKMXRXAHSV-UHFFFAOYSA-N 229.279 2.561 0 50 BFAA CCOCCSc1nc2ccccc2[nH]1 1926968 LMGONSYQLRRHRN-UHFFFAOYSA-N 222.313 2.692 0 50 BFAA Cc1noc(C)c1CN1CCC(C)CC1 2888953 BLHVKOWJQVSAHT-UHFFFAOYSA-N 208.305 2.523 0 50 BFAA NCc1ccc2[nH]c3c(c2c1)CCCC3 4111222 OXKJSEIAGBEFTK-UHFFFAOYSA-N 200.285 2.505 0 50 BFAA Nc1cc(-c2ccc3c(c2)CCCC3)[nH]n1 4234705 AVQRFHNHZSETSK-UHFFFAOYSA-N 213.284 2.538 0 50 BFAA in-vitro Fc1nc(Cl)ccc1Br 12359471 VKBRLJKCZACHPU-UHFFFAOYSA-N 210.433 2.637 0 50 BFAA in-vitro OC[C@H](Cc1ccccc1)NC1CCCCCC1 32565467 VGOFBHNOUBVEAZ-INIZCTEOSA-N 247.382 2.902 0 50 BFAA Fc1cc(F)cc(OCC[C@@H]2CCCNC2)c1 54933120 DONPIEIEPBAXQB-JTQLQIEISA-N 241.281 2.733 0 50 BFAA CC1(O)C[C@]23CCCCC[C@@]2(CC(=O)C3)C1 101053856 QLMZFZMBQRARSY-ZIAGYGMSSA-N 222.328 2.831 0 50 BFAA CC1(C)CCN(C(=O)OCc2ccccc2)C1=O 118305448 TYKBHZOCJDZAEK-UHFFFAOYSA-N 247.294 2.582 0 50 BFAA O=C1CCc2ccc(OCCCF)cc21 205461428 HAHGCXCELXOBDW-UHFFFAOYSA-N 208.232 2.554 0 50 BFAA C[C@H]1CCCC[C@H]1CNc1ncnc2oncc12 225503755 QWGILTNSMCZXBD-UWVGGRQHSA-N 246.314 2.856 0 50 BFAA OCc1ccc(CNC2CCCCC2)cc1 227572990 NYACJDXFRIFWQJ-UHFFFAOYSA-N 219.328 2.601 0 50 BFAA Cc1cc(C(=O)N[C@H]2CC[C@H](F)C2)oc1C 334276012 NENLOPRTRVFFAW-UWVGGRQHSA-N 225.263 2.517 0 50 BFAA Cc1ccc2n[nH]cc2c1[C@@H]1C[C@H](C)CCN1 757208898 FBOCCMLEVSLRFB-RNCFNFMXSA-N 229.327 2.932 0 50 BFAA Cc1cc2n[nH]cc2cc1-c1cccnc1 1250605646 KGXTUYRGGPTUQB-UHFFFAOYSA-N 209.252 2.933 0 50 BFAA C[C@@]12C[C@H]1CN(c1ncnc3sccc13)C2 1772811218 RDPUDZACYLQWDT-UFBFGSQYSA-N 231.324 2.538 0 50 BFAA C=CC(=O)N[C@@H]1CC[C@H](C)c2ccccc2C1 1875368156 UUQPWOSTPALJNP-WCQYABFASA-N 229.323 2.797 0 50 BFAA COCc1nc(-c2ccc(C3CC3)cc2)nn1C 2356147023 DUFWGHHSYKXULM-UHFFFAOYSA-N 243.310 2.506 0 50 BFAA Cc1ccccc1N1C(=O)c2ccccc2C1=O 50522 KPYGHQALDAITMY-UHFFFAOYSA-N 237.258 2.796 0 50 BFAA O=C(Nc1ccc(O)cc1)[C@H]1CC=CCC1 351684 CYGUEFBLPFEAOS-JTQLQIEISA-N 217.268 2.687 0 50 BFAA aggregator COc1ccc(OC)c(NC(=O)C2CCCC2)c1 362503 GMZSYRSBAMAPFL-UHFFFAOYSA-N 249.310 2.833 0 50 BFAA Oc1ccc(C(=S)NC2CCCCC2)cc1 1120483 ZLXBKFCPGOQCFS-UHFFFAOYSA-N 235.352 2.990 0 50 BFAA Cc1ccccc1NC(=O)CN1CCC[C@H](C)C1 2047113 RQQFZGAMKZTGKO-LBPRGKRZSA-N 246.354 2.665 0 50 BFAA Cc1cnc(NC(=O)c2ccccc2)s1 3555837 HEGBNFORMCPFKO-UHFFFAOYSA-N 218.281 2.704 0 50 BFAA in-vivo CCc1ccc(C[C@H]2CCCCCN2)nc1 4234892 NPSYYPJVDPIYCK-CYBMUJFWSA-N 218.344 2.719 0 50 BFAA in-vitro CCOC(C[C@@H](OCC)OCC(C)C)OCC 4831684 AVWVCFBADLJOIX-ZDUSSCGKSA-N 248.363 2.811 0 50 BFAA Cc1ccc2cc(C)c(N3CCOCC3)nc2c1 4997197 PSELKCSXCRNZGZ-UHFFFAOYSA-N 242.322 2.688 0 50 BFAA O=C(O)/C=C\c1cccc(OC(F)(F)F)c1 12358969 CLKZZEYGXRWYNI-PLNGDYQASA-N 232.157 2.683 0 50 BFAA Cc1cccc(O[C@@H](C)C(=O)N2CCCC2)c1C 12928354 OSWHCUAQMODDJJ-ZDUSSCGKSA-N 247.338 2.693 0 50 BFAA CCNC(=O)[C@H](C)Oc1ccc2ccccc2c1 13688963 LNJVECKPLCIYNI-NSHDSACASA-N 243.306 2.743 0 50 BFAA CC(C)C1=C[C@H]2[C@@H](CC[C@]2(C)O)[C@](C)(O)CC1 26832397 IWQURBSTAIRNAE-BARDWOONSA-N 238.371 2.891 0 50 BFAA biogenic,in-vitro Nc1c(Br)ncc2ccccc12 32299974 DERRKDMURMTHHF-UHFFFAOYSA-N 223.073 2.580 0 50 BFAA in-vitro COC(=O)c1cnn(-c2ccccc2)c1C1CC1 38537346 HHMVYCHDQQBZOB-UHFFFAOYSA-N 242.278 2.536 0 50 BFAA in-vitro O=C(c1c(F)cccc1F)C(F)(F)F 40571476 FGBCJKYISOMHFD-UHFFFAOYSA-N 210.101 2.710 0 50 BFAA in-vitro O=C1CCc2cccc(C(F)(F)F)c21 54965486 RHHGHWBHOQXKNZ-UHFFFAOYSA-N 200.159 2.834 0 50 BFAA O=C1CCOc2c1cccc2C(F)(F)F 64034219 OQGMJRUOBDTBBF-UHFFFAOYSA-N 216.158 2.671 0 50 BFAA CCCNc1cc(Br)ccn1 65337556 VNJNFEXFJXRNDU-UHFFFAOYSA-N 215.094 2.666 0 50 BFAA in-vitro CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 78161248 MDLRSSKDCUAPDO-UHFFFAOYSA-N 231.292 2.788 0 50 BFAA CC(C)CC(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 101896919 RTEATVNILBCDSE-ZDEQEGDKSA-N 223.360 2.973 0 50 BFAA CCC[C@H]([C@@H](O)c1ccccc1)N1CCCC1 248027506 MSYYSRJQHJQEQA-CABCVRRESA-N 233.355 2.985 0 50 BFAA in-vitro Fc1ccc(Cl)c(O[C@@H]2CCOC2)c1 306187046 NRDPLHGSNZBOQE-MRVPVSSYSA-N 216.639 2.647 0 50 BFAA CC(C)(C)[C@H]1OCC[C@@H]1c1nnc2n1CCCC2 952991993 HIBZIOPIJPNMKP-JQWIXIFHSA-N 249.358 2.533 0 50 BFAA CCc1ncc(-c2cncc(C(F)F)c2)[nH]1 1775985293 LTEOJBSYFBWWSE-UHFFFAOYSA-N 223.226 2.972 0 50 BFAA FC(F)(F)c1nnc(Nc2cccnc2)s1 74321 WAGZQPCHYZFSMP-UHFFFAOYSA-N 246.217 2.696 0 50 BFAA O=C(O)c1ccccc1C(=O)c1cccs1 126222 KPJANWLDEVDGEA-UHFFFAOYSA-N 232.260 2.677 0 50 BFAA Nc1cccc(OC(F)(F)C(F)F)c1 153616 MWDPEBMCVXNSPL-UHFFFAOYSA-N 209.142 2.506 0 50 BFAA Cc1csc(C)[n+]1Cc1ccccc1 163457 UPYMDKHGOHPTRB-UHFFFAOYSA-N 204.318 2.701 0 50 BFAA Cc1ccccc1NC(=O)c1ccc(N)cc1 262147 HARHPNGPIOLPBW-UHFFFAOYSA-N 226.279 2.830 0 50 BFAA in-vitro COc1ccc(NC(=O)NCc2ccco2)cc1 396190 ZHWTWNTUPFWISF-UHFFFAOYSA-N 246.266 2.610 0 50 BFAA CC(=O)Nc1c(O)ccc2ccccc12 402561 ABBNXJIPPYAOSC-UHFFFAOYSA-N 201.225 2.504 0 50 BFAA CCC(=O)Nc1nnc(C2CCCC2)s1 619936 VJPHSZFNGNXHTO-UHFFFAOYSA-N 225.317 2.544 0 50 BFAA OC[C@H]1CCCN(C2CCCCCCC2)C1 757812 HBLUPFRJLFZUQP-ZDUSSCGKSA-N 225.376 2.804 0 50 BFAA CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)O 2526146 CEMWDKOEAHBYQZ-LLVKDONJSA-N 208.257 2.545 0 50 BFAA in-vitro COc1c(F)cc(C(C)=O)cc1Cl 2527785 NRCCXQQIBNFBRT-UHFFFAOYSA-N 202.612 2.690 0 50 BFAA FC1(F)Oc2cccc(Br)c2O1 2574995 LSZYHXNOLVSZHH-UHFFFAOYSA-N 236.999 2.771 0 50 BFAA in-vitro CN(C)c1cccc2c(C=O)ccc(N(C)C)c12 2895377 FGPIRLWHNADLTJ-UHFFFAOYSA-N 242.322 2.784 0 50 BFAA COc1ccc([C@H](O)c2cccc(F)c2)cc1 4255927 HDWVVRSGQJYZPH-AWEZNQCLSA-N 232.254 2.916 0 50 BFAA in-vitro C[C@@H]1CN=C(NCc2ccccc2Cl)S1 4843289 MOAMXBNMZAYBBS-MRVPVSSYSA-N 240.759 2.921 0 50 BFAA Clc1ccccc1CN1CCSCC1 4977533 ZCSOOSSGZBVQFR-UHFFFAOYSA-N 227.760 2.889 0 50 BFAA Cc1cc(C)c2c(c1)[C@H](O)CC(C)(C)O2 5724787 BBHBEYHXGFQONF-LLVKDONJSA-N 206.285 2.898 0 50 BFAA CC(C)(C)OC(=O)n1ncc2cc(C=O)ccc21 8700341 OXWGPXBJKZYTIF-UHFFFAOYSA-N 246.266 2.632 0 50 BFAA C[C@H](CNC(=O)c1ccco1)c1ccccc1 23444849 VSPCRCDQVNEGHK-LLVKDONJSA-N 229.279 2.813 0 50 BFAA COc1ccc2c(c1)CCc1cnc(Cl)nc1-2 40449727 URHGVDHGNXTTRB-UHFFFAOYSA-N 246.697 2.904 0 50 BFAA COc1cncc(-c2ccnc3[nH]ccc23)c1 72123871 VNIYMFDYEIBJEN-UHFFFAOYSA-N 225.251 2.634 0 50 BFAA CCc1cnc(C)nc1-c1ccnc2[nH]ccc12 72165720 HVVHRBNBNOHENC-UHFFFAOYSA-N 238.294 2.891 0 50 BFAA FC(F)(F)c1c[nH]c2ncnc(Cl)c12 95644208 XTQGBMSLTHSCEX-UHFFFAOYSA-N 221.569 2.630 0 50 BFAA in-vitro CC(C)n1cccc1-c1nc([C@@H]2CCOC2)no1 96136064 KMYVGDOOOJYIFY-SNVBAGLBSA-N 247.298 2.623 0 50 BFAA CCCc1cc(O)n(-c2ccccc2)n1 100137277 GKYWXLBARGQODW-UHFFFAOYSA-N 202.257 2.530 0 50 BFAA Cc1cccc(Nc2cc(F)ncn2)c1 149927796 WOVMTQYDPDXKHI-UHFFFAOYSA-N 203.220 2.668 0 50 BFAA CN(C(=O)OC(C)(C)C)c1cccc(O)c1 234243005 AOEYIWSHRFMESO-UHFFFAOYSA-N 223.272 2.764 0 50 BFAA Cc1ccc([C@@H]2[C@H](C)CCCN2CC(=O)O)cc1 237399462 VLSSEQJQTAEUKH-DOMZBBRYSA-N 247.338 2.853 0 50 BFAA COc1cccc(C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)c1 265624438 ONFOLFZRJPKOLJ-MJVIPROJSA-N 245.322 2.614 0 50 BFAA Cc1cc([C@@H]2CCN(C(=O)C(F)F)C2)cs1 328587335 DRTUZFCCNOPZEF-MRVPVSSYSA-N 245.294 2.638 0 50 BFAA c1ccc(N2CCC[C@H]2c2cccnc2)nc1 334182187 FBOMVROUMMXESO-ZDUSSCGKSA-N 225.295 2.818 0 50 BFAA CCN(C)c1cc(-c2ccc(O)c(C)c2)ncn1 426544304 DZOZPZGWLUOLJY-UHFFFAOYSA-N 243.310 2.614 0 50 BFAA CCc1cnc(C)nc1NCC[C@H]1CCCOC1 1704298361 JNEAJVMOAMMDCB-GFCCVEGCSA-N 249.358 2.576 0 50 BFAA O=C(CNc1ccccc1)Nc1ccc(F)cc1 132512 VCMBBOYEMGIVFC-UHFFFAOYSA-N 244.269 2.876 0 50 BFAA Cc1[nH]c2c(C)ccc(C)c2c1CCN 140717 SMLQKDDUCVBWGK-UHFFFAOYSA-N 202.301 2.594 0 50 BFAA in-vitro COc1ccc(CNCc2ccco2)cc1 293174 NXCLTNSLLMYDPB-UHFFFAOYSA-N 217.268 2.578 0 50 BFAA in-vitro CC(=O)CC(=O)Nc1ccc(Cl)cc1Cl 449426 YTKNYOWCICFXOW-UHFFFAOYSA-N 246.093 2.911 0 50 BFAA CCc1ccc(-c2nc(C)c(C(C)=O)n2O)cc1 472391 AGILMUZVMFMEPX-UHFFFAOYSA-N 244.294 2.861 0 50 BFAA O=C(O)c1cc(-c2ccccc2)ccc1O 1577073 LGERKUYJCZOBTB-UHFFFAOYSA-N 214.220 2.757 0 50 BFAA CCOC(=O)Oc1ccc(Cl)cc1 1601868 YVZRSAKDPDOUPK-UHFFFAOYSA-N 200.621 2.875 0 50 BFAA CCCCOCc1ccc(O)c(OC)c1 2561203 VLDFMKOUUQYFGF-UHFFFAOYSA-N 210.273 2.718 0 50 BFAA endogenous,fda CC(=O)Nc1ccc(Br)c(F)c1 2567817 GAQUWJRFYLETKX-UHFFFAOYSA-N 232.052 2.547 0 50 BFAA biogenic,in-vitro CNCc1cccc(-c2csc(C)n2)c1 3880931 CZCQBTFBIRJBPO-UHFFFAOYSA-N 218.325 2.838 0 50 BFAA in-vitro CCOc1cc(C)cc2oc(=O)c3c(c12)CCC3 4387730 IIDSNCKHUWHEFJ-UHFFFAOYSA-N 244.290 2.989 0 50 BFAA CCCNCC(=O)C12CC3CC(CC(C3)C1)C2 5043069 HXUKTXQNIGYMTL-UHFFFAOYSA-N 235.371 2.772 0 50 BFAA Cc1cccc(-c2nnc3n2C[C@@H](C)S3)c1 12462878 AHIWYANKMBHXFW-SECBINFHSA-N 231.324 2.748 0 50 BFAA CN1CCC[C@H]1CCSc1ccc(O)cc1 13652375 NVZGJSVPOOILDI-NSHDSACASA-N 237.368 2.969 0 50 BFAA in-vitro CC[C@@H](C)N1CCN(C[C@@H]2CC=CCC2)CC1 19790193 YVMFYUQRJHTFPJ-HUUCEWRRSA-N 236.403 2.759 0 50 BFAA Cc1ccc(Cc2ccc(C(=O)O)o2)cc1 22113273 ZKUZBZHMUKAZDY-UHFFFAOYSA-N 216.236 2.877 0 50 BFAA in-vitro C/C(=C\c1ccccc1)CN1CCC[C@@H](O)C1 23281259 GHLAWSWLBBYGOW-NRMKIYEFSA-N 231.339 2.547 0 50 BFAA Cc1cccc(-c2nnc3ccc(Cl)cn23)n1 32529819 KFYYGAZWLPTINO-UHFFFAOYSA-N 244.685 2.753 0 50 BFAA Cc1c(Br)cnc2[nH]ccc12 32915116 NWINRLXRPPSXIY-UHFFFAOYSA-N 211.062 2.634 0 50 BFAA in-vitro Clc1nccc(C(Cl)(Cl)Cl)n1 34542761 HHWQGPMDTJANOB-UHFFFAOYSA-N 231.897 2.957 0 50 BFAA N[C@@H]1CCc2cc(Cl)c(Cl)cc21 59911761 XWCCMCNCBDSVFJ-SECBINFHSA-N 202.084 2.939 0 50 BFAA CC(C)(C)OC(=O)N1CCC(C(F)F)CC1 71257512 UZTUVAKJCZJUJS-UHFFFAOYSA-N 235.274 2.899 0 50 BFAA OC[C@]1(CC2CC2)CCCN(Cc2ccoc2)C1 91965156 NYYQCXWALPLUCH-HNNXBMFYSA-N 249.354 2.654 0 50 BFAA CCCC(=O)[C@H]1C[C@@H](C(C)C)CCC1=O 109253561 YUGLCPNBZCECTO-WDEREUQCSA-N 210.317 2.997 0 50 BFAA CCOC(=O)C1CCC(OC(F)(F)F)CC1 118725220 LNHNSNMRTAEGAX-UHFFFAOYSA-N 240.221 2.645 0 50 BFAA Nc1cccc(F)c1OCc1ccccc1 132636240 LIOJPDKTJQWCJX-UHFFFAOYSA-N 217.243 2.987 0 50 BFAA CC(C)(C)OC(=O)CCCCCCC(=O)O 138990580 BONUHUQZCZQQEN-UHFFFAOYSA-N 230.304 2.753 0 50 BFAA CCc1cnc(NC(=O)[C@@H]2CC2(C)C)s1 157293797 BTOBJSPFGHEVLZ-QMMMGPOBSA-N 224.329 2.690 0 50 BFAA C1CCC(C2CN(C[C@H]3CCCOC3)C2)CC1 334648810 ZMAMDMMRRBNMLC-CYBMUJFWSA-N 237.387 2.925 0 50 BFAA COc1cccc(Nc2nccc(Cl)n2)c1 585145540 PIXAAQULOAWTFQ-UHFFFAOYSA-N 235.674 2.882 0 50 BFAA CCC1(CC)C[C@@H]1CNc1nccc(N(C)C)n1 1529191726 DJQUVJLNUINXJW-LLVKDONJSA-N 248.374 2.781 0 50 BFAA C=CC(=O)Nc1cc(C)ccc1-n1cccc1 1772718350 GXPWBEOAQOZLBG-UHFFFAOYSA-N 226.279 2.910 0 50 BFAA CCc1cc(-c2cc[nH]c3ncc(C)c2-3)n(C)n1 2325812368 ZRILTIRVKZIVLQ-UHFFFAOYSA-N 240.310 2.786 0 50 BFAA COC(=O)c1sccc1Oc1ccccc1N 168876 CLTFLXDIRZFCKH-UHFFFAOYSA-N 249.291 2.909 0 50 BFAA C[C@](O)(c1ccncc1)c1cc2ccccc2[nH]1 336805 SLUGGHNQQAQXEJ-HNNXBMFYSA-N 238.290 2.819 0 50 BFAA CN(C)CCCn1ccc2ccccc21 393993 VZQZKEYQPBNATK-UHFFFAOYSA-N 202.301 2.593 0 50 BFAA Brc1cocc1Br 2245234 ZBNAIRILIJMDEE-UHFFFAOYSA-N 225.867 2.805 0 50 BFAA CCOC(=O)/C=C/c1ccc(F)cc1F 2383966 CIDYGTPEQJOLBL-GQCTYLIASA-N 212.195 2.541 0 50 BFAA Nc1cnn(Cc2ccc(Cl)c(Cl)c2)c1 2388752 ZKDGSECMKLUWRL-UHFFFAOYSA-N 242.109 2.820 0 50 BFAA Cc1cccc(OCCNC(C)(C)C)c1 2932006 FNQGGAAEIMUIIM-UHFFFAOYSA-N 207.317 2.762 0 50 BFAA CCc1n[nH]c2cc(Br)ccc12 40434543 XZRBYJWQQQBHLP-UHFFFAOYSA-N 225.089 2.888 0 50 BFAA in-vitro O=c1c(Br)coc2cc(F)ccc12 44672068 ZIHXBLKZUOFSMR-UHFFFAOYSA-N 243.031 2.695 0 50 BFAA in-vitro CCOc1cc(C(=O)O)cc2occc12 45921126 DTMFWJHGJJQFEN-UHFFFAOYSA-N 206.197 2.530 0 50 BFAA Cc1nnc(CN2CCC=Cc3ccccc32)o1 191287890 BOILTRAEHQVRPQ-UHFFFAOYSA-N 241.294 2.802 0 50 BFAA CCC(C)(CC)NC(=O)Cc1cccc(N)c1 230952652 YYKLCTNSYCKJBI-UHFFFAOYSA-N 234.343 2.506 0 50 BFAA CC[C@H](c1ccccc1)N1CC[C@@]2(CCNC2)C1 261569913 KDBAPHWLHLWOKM-HZPDHXFCSA-N 244.382 2.823 0 50 BFAA COc1cc(-c2ccc(C=O)cc2)sn1 307336084 NPEHVOJNVLWXIL-UHFFFAOYSA-N 219.265 2.631 0 50 BFAA C1CC2(C1)CC(N[C@@H]1CCO[C@@H](C3CC3)C1)C2 334796213 DVVBZKFDGDUPPR-TZMCWYRMSA-N 235.371 2.866 0 50 BFAA CCc1c(-c2cc(F)ccc2OC)cnn1C 426716130 PXRHFDXYSROGED-UHFFFAOYSA-N 234.274 2.797 0 50 BFAA Cc1ncsc1CN[C@H](C)Cc1ccccn1 655844733 WBDUEACLBUESTD-SNVBAGLBSA-N 247.367 2.567 0 50 BFAA N[C@H](C1CCCC1)C1(O)CCCCCCC1 958528330 MZIWGMRUMBWSJP-CYBMUJFWSA-N 225.376 2.979 0 50 BFAA Cc1c(C(=O)O)cc(C)c2ncccc12 1857783716 VETZZXJUDWVJJM-UHFFFAOYSA-N 201.225 2.550 0 50 BFAA CC1(Cn2ccnc2-c2ccccc2F)COC1 1875251607 ZRGDYNUZMOAPED-UHFFFAOYSA-N 246.285 2.726 0 50 BFAA Cc1cc(NC(=O)c2ccc(C)c(C)c2)no1 31630 NFPIFLXQEXEJRI-UHFFFAOYSA-N 230.267 2.852 0 50 BFAA Cc1ccc2c(c1)C(=O)CCCCC(=O)N2 170658 OBAWWFIJMQZUMJ-UHFFFAOYSA-N 217.268 2.690 0 50 BFAA CC(C)(C)C(=O)NC1C2CC3CC(C2)CC1C3 247103 SLRWECGOKGKXRS-UHFFFAOYSA-N 235.371 2.973 0 50 BFAA Cc1ccc(OCCn2ccnc2)c(C)c1 433378 XBSOMCCNCMUWIC-UHFFFAOYSA-N 216.284 2.579 0 50 BFAA Fc1ccccc1-c1nc(-c2cccnc2)no1 468012 YJIUUMGJBJYCGM-UHFFFAOYSA-N 241.225 2.938 0 50 BFAA CCC(C)(C)NC(=O)Cc1ccc(C)cc1 620844 OTKVNJDFYYBCSS-UHFFFAOYSA-N 219.328 2.842 0 50 BFAA CC[C@@H](C)NC(=O)c1cc(-c2ccccc2)on1 815042 LDNDXBBSMABXOQ-SNVBAGLBSA-N 244.294 2.870 0 50 BFAA CC(C)(C)c1cc(N)n2nc(C(C)(C)C)cc2n1 2523008 SAUFGSXNXZLMQE-UHFFFAOYSA-N 246.358 2.907 0 50 BFAA CCn1c2c(c(=N)c3ccccc31)CCC2 4608497 INFGBOFNBJAQHW-UHFFFAOYSA-N 212.296 2.629 0 50 BFAA biogenic Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)O)c1 6009001 MLHQFMJKIPOZEV-JTQLQIEISA-N 222.284 2.970 0 50 BFAA in-vitro CC(=O)Nc1ccc(OCC(C)C)cc1 6697099 LXFXYIRUYUYMCE-UHFFFAOYSA-N 207.273 2.680 0 50 BFAA C[C@@H](NC(=O)Cc1ccccc1F)C(C)(C)C 12381103 NFHLGJBDPKSWKG-SNVBAGLBSA-N 237.318 2.919 0 50 BFAA COC(=O)c1c(C)nc(-c2ccccc2)nc1C 90513151 BIVNWBNIJKRQDC-UHFFFAOYSA-N 242.278 2.547 0 50 BFAA CN(C)CCNCc1ccc(Cl)c(Cl)c1 95190920 NYSHFAAKOUWIBE-UHFFFAOYSA-N 247.169 2.645 0 50 BFAA O=C(CCc1ccccc1)N[C@H]1C[C@H]2CC[C@H]1C2 101754581 CYYPRIKUGOOUCN-KKUMJFAQSA-N 243.350 2.924 0 50 BFAA OCC(F)(F)c1cccc(Br)c1 117766884 CYKAKPQCSGHMAD-UHFFFAOYSA-N 237.043 2.533 0 50 BFAA CC(C)COc1ccc(C=O)nc1Cl 585672533 WIJRPBDHFTZJMY-UHFFFAOYSA-N 213.664 2.582 0 50 BFAA O=C(O)c1ccc(COc2ccccc2)o1 43875 KPSLIMYRDNBEGK-UHFFFAOYSA-N 218.208 2.557 0 50 BFAA in-vitro O=C(NCc1cccnc1)c1ccc(Cl)cc1 299189 FQFDVBNHWMQOKX-UHFFFAOYSA-N 246.697 2.665 0 50 BFAA O=C(Cc1ccccc1)NC1CCCCC1 339690 ZFEBPJQSSNUJGT-UHFFFAOYSA-N 217.312 2.678 0 50 BFAA biogenic,in-vivo Cc1nc(Cl)cc(-c2ccccn2)n1 343314 ZWHZRLMJZKIKGZ-UHFFFAOYSA-N 205.648 2.500 0 50 BFAA in-vitro CCC(=O)Nc1ccc(Br)c(C)n1 359983 DUJQWEAOAOXMLF-UHFFFAOYSA-N 243.104 2.501 0 50 BFAA Cc1ccc(S[C@@H](C)C(=O)NC2CC2)cc1 382649 XKEGMAMQSXUCGO-JTQLQIEISA-N 235.352 2.754 0 50 BFAA O=C(NC1CCCCC1)c1cccc(F)c1 572830 NXPPOGYXWKNMKS-UHFFFAOYSA-N 221.275 2.888 0 50 BFAA in-vitro C[C@H](N)Cc1ccc(Cl)c(Cl)c1 1604330 PUFDZMUCDFIRQY-LURJTMIESA-N 204.100 2.883 0 50 BFAA Cc1cc(C)c2[nH]c(C)c(CC(=O)O)c2c1 2582685 UEEPPNNQZQTJMO-UHFFFAOYSA-N 217.268 2.720 0 50 BFAA in-vitro COCCCNC(=O)c1ccc2ccccc2c1 2824349 ZNWXEUFLERZATN-UHFFFAOYSA-N 243.306 2.606 0 50 BFAA COc1ccc(CN[C@@H]2CCCC[C@@H]2OC)cc1 4030878 IXIIAAAZONRLLO-CABCVRRESA-N 249.354 2.742 0 50 BFAA CC(C)C[C@H]1CC(=O)c2sc(N)nc2C1 5188606 GAUUPODYGAUQPH-SSDOTTSWSA-N 224.329 2.517 0 50 BFAA CCCN(CCO)C1CCC(CC)CC1 5686232 VXWCTQQPYSXHFF-UHFFFAOYSA-N 213.365 2.660 0 50 BFAA C=CN1CCCC[C@H](C(=O)c2ccccc2)C1=O 6658274 IOIMHZKQVYKGLR-CYBMUJFWSA-N 243.306 2.642 0 50 BFAA O=C(Nc1ccccc1)c1nc2ccccc2[nH]1 11535785 XOZHJGPWRAFSMY-UHFFFAOYSA-N 237.262 2.815 0 50 BFAA CC[C@H](C)C(=O)OCCc1ccccc1 14651769 KVKKTLBBYFABAZ-NSHDSACASA-N 206.285 2.818 0 50 BFAA endogenous,in-man NCc1cccnc1Oc1ccc(F)cc1F 19256199 JGIHUKQAIJZXFC-UHFFFAOYSA-N 236.221 2.611 0 50 BFAA CCc1ccccc1O[C@@H](C)C(=O)NC(C)(C)C 20049095 YSGUXUIVVLIUAW-NSHDSACASA-N 249.354 2.931 0 50 BFAA Fc1ccc(CNc2cc(Cl)ncn2)cc1 38579851 MYVPHLWTSQJTPS-UHFFFAOYSA-N 237.665 2.881 0 50 BFAA Brc1nc(C2CC2)cs1 40845013 KSFCLCADEPTWLI-UHFFFAOYSA-N 204.092 2.783 0 50 BFAA Cc1ccc(C(=O)Cc2ccncc2)cc1 53134114 XUCKHEMSKSGZAI-UHFFFAOYSA-N 211.264 2.815 0 50 BFAA in-vitro c1ccc2c(c1)CC[C@H]2Cc1nc(C2CC2)n[nH]1 65409258 FQDZGKZKFSHOIU-LBPRGKRZSA-N 239.322 2.955 0 50 BFAA Clc1nc(Cc2cccs2)ns1 71787772 VHOCLEAGOMBKDR-UHFFFAOYSA-N 216.718 2.844 0 50 BFAA in-vitro N[C@H](c1cc(F)cc(F)c1)C(F)(F)F 72194731 ZGXAKNAMSFQOGQ-SSDOTTSWSA-N 211.133 2.527 0 50 BFAA COC(=O)c1ccc2c(c1)ncn2C1CCCC1 75935289 SVWXEOKAUZAJCN-UHFFFAOYSA-N 244.294 2.938 0 50 BFAA Cc1oncc1CN1CCC[C@@H]1C1CCC1 128494548 IOKZVRPBZBTRJR-CYBMUJFWSA-N 220.316 2.748 0 50 BFAA C[C@H](CCO)CNc1ccnc2c(F)cccc12 170089571 QOWKVQMMJDYIQP-SNVBAGLBSA-N 248.301 2.804 0 50 BFAA Cc1ccc(F)c(Br)c1C(=O)O 211110772 QWXYFCBTEVCONQ-UHFFFAOYSA-N 233.036 2.595 0 50 BFAA Cc1ccc(NC(=O)[C@@H]2CCC(F)(F)C2)nc1 225453087 FBUVOTZZPUGAEJ-SECBINFHSA-N 240.253 2.764 0 50 BFAA C[C@H]1CN(c2ccccn2)CCC1(F)F 291193212 SYITZAQJCDTKLN-VIFPVBQESA-N 212.243 2.563 0 50 BFAA C/C=C(/OCC)[C@@]1(O)CCc2ccccc21 309167620 HCGVDRLYABZWBN-XHAHAKLZSA-N 218.296 2.761 0 50 BFAA Cc1cnc(-c2noc(-c3ccccc3)n2)nc1 357164672 BANFPSNOFBWJKA-UHFFFAOYSA-N 238.250 2.502 0 50 BFAA COc1cc(N)ccc1OCc1ccc(C)nc1 405556903 VFSAEEHFARVNQU-UHFFFAOYSA-N 244.294 2.560 0 50 BFAA CCc1cnc(C)nc1N1CCC[C@H](C)CC1 1704343911 KXJDCKOWGFBEHP-NSHDSACASA-N 233.359 2.974 0 50 BFAA C=CC(=O)N(CC)Cc1cccc2[nH]ccc12 1875375584 FGNFNNQOUYYKRL-UHFFFAOYSA-N 228.295 2.702 0 50 BFAA CC[C@H]1COCc2nnc(-c3cccc(F)c3)n21 2100483347 MXIVLQMSZRWNMX-NSHDSACASA-N 247.273 2.566 0 50 BFAA Cc1cc2c(C)cc(=O)oc2c2c1NCCC2 227510 HNBLXGUKCHVXSO-UHFFFAOYSA-N 229.279 2.768 0 50 BFAA aggregator CC[C@@H](C)C(=O)Nc1ccccc1OC 365438 NTSGYPDPZDEYJM-SECBINFHSA-N 207.273 2.680 0 50 BFAA c1ccc2sc([C@H]3CCCN3)nc2c1 2534014 YTKAWFHOEDFUOP-SECBINFHSA-N 204.298 2.721 0 50 BFAA in-vitro O=C(NCc1ccco1)[C@@H]1C[C@H]1c1ccccc1 2747345 YMFYOUIQBHWTQR-UONOGXRCSA-N 241.290 2.700 0 50 BFAA COc1ccc(CNC(C)C)c(OC)c1C 4891751 JWSPFXKWEWDDGK-UHFFFAOYSA-N 223.316 2.510 0 50 BFAA CC(C)(C)OC(=O)NCc1cnc2[nH]ccc2c1 8700516 XIDJEMPYAHCGHE-UHFFFAOYSA-N 247.298 2.588 0 50 BFAA CC(C)C[C@@]1(C)NC(=O)c2ccccc2N1 28187934 GLTLSRADCWBWDK-CYBMUJFWSA-N 218.300 2.604 0 50 BFAA Brc1ccnc(-c2ccccn2)c1 38531737 SCOXFIBXWCCICG-UHFFFAOYSA-N 235.084 2.906 0 50 BFAA in-vitro CC[C@H](C)NCCCn1ncc2ccccc21 65369827 IMFUVRIRLGFMPK-LBPRGKRZSA-N 231.343 2.815 0 50 BFAA Cc1ncsc1CNc1ccnc(C(C)C)n1 110541304 MAPHYWPVXXEINF-UHFFFAOYSA-N 248.355 2.977 0 50 BFAA Cc1ccc(CNC(=O)[C@@H]2CC2(C)C)s1 158601399 ROEMGAQJWNDBDD-JTQLQIEISA-N 223.341 2.719 0 50 BFAA CC(C)OC1CC(Nc2cccc(CO)c2)C1 191945176 QFFMNAHENZUNPS-UHFFFAOYSA-N 235.327 2.547 0 50 BFAA COc1c(C(=O)O)ccc2c1C=CC(C)(C)O2 205912793 WCOAPPFQEKMTCI-UHFFFAOYSA-N 234.251 2.578 0 50 BFAA NCC(=O)c1sc2ccccc2c1Cl 216186803 LAUHHXXLTYIMFD-UHFFFAOYSA-N 225.700 2.696 0 50 BFAA c1cn(Cc2ccc3c[nH]nc3c2)c(C2CC2)n1 629259537 QJFKNPMTYISALQ-UHFFFAOYSA-N 238.294 2.685 0 50 BFAA C=CC(=O)Nc1ccc2nc(CC)sc2c1 1338393258 DFPJYHHRXRDEHU-UHFFFAOYSA-N 232.308 2.983 0 50 BFAA CCCO[C@H]1CCCN(C2CCSCC2)C1 1529155045 NDLIPVBTDRNZAK-ZDUSSCGKSA-N 243.416 2.773 0 50 BFAA CCOc1ccc(C(=O)N2CCC(C)CC2)cc1 123289 XJCXJTTYTZQWJY-UHFFFAOYSA-N 247.338 2.957 0 50 BFAA O=C(c1cc(Cl)ccc1Cl)n1cccn1 474896 JFCHIXMDZKHIPX-UHFFFAOYSA-N 241.077 2.878 0 50 BFAA NCc1ccc(Cl)c(C(F)(F)F)c1 2556417 SRHQOQMNBVOXCF-UHFFFAOYSA-N 209.598 2.818 0 50 BFAA in-vitro O=C(O)c1ccccc1-c1ccc2c(c1)OCO2 2581015 PEOCCFXRLGYKBM-UHFFFAOYSA-N 242.230 2.781 0 50 BFAA Cc1ccc(C(=O)NCc2cccs2)o1 2749970 NILRXMRDTZBXFB-UHFFFAOYSA-N 221.281 2.580 0 50 BFAA N=C(N)N(c1ccccc1)c1ccccc1 4018857 MFHNAXHSHOCFEC-UHFFFAOYSA-N 211.268 2.718 0 50 BFAA CCN1C[C@H](C)[C@](O)(c2ccccc2)C[C@@H]1C 4031411 XLCYCZFQMQVQNF-YDHLFZDLSA-N 233.355 2.624 0 50 BFAA CN(C)Cc1ccccc1[C@@H]1CCCCCN1 4234907 LDSMIZOJFSCJMT-HNNXBMFYSA-N 232.371 2.953 0 50 BFAA COc1ccccc1NC(=O)c1ccoc1 8727951 MPDIBRPVAHRLPD-UHFFFAOYSA-N 217.224 2.541 0 50 BFAA O=[S@@](c1ccccc1)C1(Cl)CC1 38234939 SOZLZFHVVDEWNB-GFCCVEGCSA-N 200.690 2.523 0 50 BFAA in-vitro CCOC(=O)Cc1cccc(OC(F)(F)F)c1 61703134 AOTONCKRHBEQBZ-UHFFFAOYSA-N 248.200 2.691 0 50 BFAA OCc1c(Br)ccc(Cl)c1F 75925979 GVWAPEOEFOERPI-UHFFFAOYSA-N 239.471 2.734 0 50 BFAA CCOc1ccc(C=O)c(Br)c1 78019569 MSPJFUIGOFAMMI-UHFFFAOYSA-N 229.073 2.660 0 50 BFAA Nc1cccc2cnc(Br)cc12 95830767 WJQGQRFILNUXDH-UHFFFAOYSA-N 223.073 2.580 0 50 BFAA CCCSCC(=O)N1CCCC(C)(C)C1 112684268 QUUIJWGABUFXRE-UHFFFAOYSA-N 229.389 2.778 0 50 BFAA Cc1csc(-c2cnn(C(C)(C)C)c2N)n1 241316970 LWOAPCLJBRCFEJ-UHFFFAOYSA-N 236.344 2.652 0 50 BFAA CCCSc1nnc(SCCC)n1C 328592679 FCDQECRDBPLALZ-UHFFFAOYSA-N 231.390 2.819 0 50 BFAA COc1ccc(F)c(-c2nc(C(C)(C)C)n[nH]2)c1 426606802 UPLUPVVSOXJYIV-UHFFFAOYSA-N 249.289 2.917 0 50 BFAA N=c1cc[nH]cc1-c1cnc2cccc(F)c2c1 1857720693 FQZAIVNLTPPUFM-UHFFFAOYSA-N 239.253 2.848 0 50 BFAA O=C(Nc1nccs1)C1CCCCC1 53953 WCIOEEMSQHADHL-UHFFFAOYSA-N 210.302 2.662 0 50 BFAA O=C(Nc1ccc(F)cc1)Nc1nccs1 236621 FLRRKLSSERTNQH-UHFFFAOYSA-N 237.259 2.926 0 50 BFAA Cc1cccc(C)c1NC(=O)c1cccnc1 245702 JITBOTGCIMNEBT-UHFFFAOYSA-N 226.279 2.951 0 50 BFAA NCC[C@@H](c1ccccc1)c1ccco1 308744 UHZRFMKKTZNLNH-LBPRGKRZSA-N 201.269 2.760 0 50 BFAA in-vitro CCNC(=O)Nc1cccc2ccccc12 395065 SMNYGFHWZXVHCR-UHFFFAOYSA-N 214.268 2.981 0 50 BFAA in-vitro COc1ccc(Br)c(C(C)=O)c1 1678778 YOUSWNMOPSGTSG-UHFFFAOYSA-N 229.073 2.660 0 50 BFAA in-vitro COc1ccc(Br)cc1CC(C)=O 2558072 YIUUEXSKURXOPK-UHFFFAOYSA-N 243.100 2.589 0 50 BFAA CC(C)n1c(=S)[nH]c2ccccc2c1=O 3311567 NMKBNUTUGMKWQF-UHFFFAOYSA-N 220.297 2.640 0 50 BFAA in-vitro CCc1ccc(C[C@@H]2CCCCCN2)nc1 4234891 NPSYYPJVDPIYCK-ZDUSSCGKSA-N 218.344 2.719 0 50 BFAA in-vitro C[C@@H]1CCCCN1C(=O)NC1CCCCC1 6675354 AFXMCRGJJXTSPO-LLVKDONJSA-N 224.348 2.903 0 50 BFAA CCCCNC(=O)[C@H](C)Oc1ccc(C)cc1 8499279 PHBJIDOHYFLXOL-LBPRGKRZSA-N 235.327 2.679 0 50 BFAA NCC1(c2ccc(F)cc2)CCCCC1 11885478 VPDDMTHLPLVCMM-UHFFFAOYSA-N 207.292 2.986 0 50 BFAA in-vitro c1c[nH]c(C(c2ccncc2)c2ccc[nH]2)c1 30677703 RPABFDPAGHDWCQ-UHFFFAOYSA-N 223.279 2.918 0 50 BFAA CC[C@H](O)c1ccc(-c2cc[nH]n2)cc1 32580993 DUKOJRPFWVFUPQ-LBPRGKRZSA-N 202.257 2.520 0 50 BFAA O=C(Cc1ccnc(F)c1)c1ccc(F)cc1 34606623 IQQGMZXTWMSUSV-UHFFFAOYSA-N 233.217 2.785 0 50 BFAA CC1=CCN(c2ncnc3cc(F)ccc23)CC1 95359928 HJVIQFRDXAEPLU-UHFFFAOYSA-N 243.285 2.925 0 50 BFAA CC[C@H](NC(=O)c1cccs1)c1ncc(C)[nH]1 215606973 AHEGZYYSYXQDQQ-VIFPVBQESA-N 249.339 2.661 0 50 BFAA CCC[C@H](N)C12C[C@H]3C[C@@H](CC(CN)(C3)C1)C2 222349454 WIRGLDXYFVCGGN-MFTHNPBUSA-N 236.403 2.659 0 50 BFAA COC(=O)c1cc(F)cc(C)c1Br 299890269 WYHXIBZJCZIDCQ-UHFFFAOYSA-N 247.063 2.683 0 50 BFAA Cn1ccc(CN[C@@H]2CCCC(F)(F)C2)c1 309576753 OZZGOEKNIIKZIQ-LLVKDONJSA-N 228.286 2.693 0 50 BFAA CC[C@H]1CCCN(Cc2nnc(C)s2)CC1 335427443 LAKMZANYDMVNTL-NSHDSACASA-N 239.388 2.859 0 50 BFAA Cc1ccc(NC(=O)N2CC(C)C2)c(F)c1 336162485 HSIWNAMJHVVQLS-UHFFFAOYSA-N 222.263 2.618 0 50 BFAA Cc1csc(NC(=O)C23CCC(CC2)C3)n1 336592898 XEYRUWNWBAYXCN-UHFFFAOYSA-N 236.340 2.970 0 50 BFAA COc1c(Cl)cc(Cl)cc1/C=C\C(N)=O 363407575 JCECBZPRWVMTAD-IHWYPQMZSA-N 246.093 2.501 0 50 BFAA Cn1cc(CN2CCCC[C@H]2C2CCC2)cn1 585089099 FYEGAIYACHDVBQ-AWEZNQCLSA-N 233.359 2.575 0 50 BFAA c1ccc(Cn2ccnc2C2CCOCC2)cc1 1940193658 ABGYULMHCZHDIY-UHFFFAOYSA-N 242.322 2.825 0 50 BFAA Cn1ncc(Br)c1-c1ccccc1 159060 UUUUUDBHEZCADX-UHFFFAOYSA-N 237.100 2.850 0 50 BFAA O=C(O)c1ccc(NC(=O)C2CCCCC2)cc1 188355 QOBMMAOTJBWMQO-UHFFFAOYSA-N 247.294 2.904 0 50 BFAA biogenic O=C(O)[C@](O)(c1ccccc1)C1CCCCC1 267944 YTRNSQPXEDGWMR-AWEZNQCLSA-N 234.295 2.539 0 50 BFAA in-vitro CC(C)N1CCC(N(C)Cc2ccccc2)CC1 315888 DMNFRUBLQLMLAO-UHFFFAOYSA-N 246.398 2.991 0 50 BFAA O=C(O)[C@@H]1CC=CC[C@@H]1Cc1ccccc1 342277 SLIBOSUXKGDWRP-CHWSQXEVSA-N 216.280 2.896 0 50 BFAA biogenic COc1ccc(-c2cc(C(=O)O)c(C)n2C)cc1 387933 RQXSMQCDNKIVQJ-UHFFFAOYSA-N 245.278 2.707 0 50 BFAA COP(=O)(OC)OC=C(Cl)Cl 1853865 OEBRKCOSUFCWJD-UHFFFAOYSA-N 220.976 2.680 0 50 BFAA endogenous,in-man C[C@@H]1CCC[C@@H](N(C)C2CCN(C)CC2)C1 2498902 JOJOOBJTCMOJGP-TZMCWYRMSA-N 224.392 2.591 0 50 BFAA COC(=O)c1ccc(C)c(Br)c1 2516933 MASRAGFWFYHMFI-UHFFFAOYSA-N 229.073 2.544 0 50 BFAA in-vitro O=C1OC(c2ccco2)=N/C1=C\c1ccccc1 2825911 DGCSPWXMYPBBSW-LUAWRHEFSA-N 239.230 2.624 0 50 BFAA S=C(NCc1ccncc1)Nc1ccccc1 2978509 VUGOCNWJAQLFOT-UHFFFAOYSA-N 243.335 2.568 0 50 BFAA COc1ccc(CN[C@@H]2CCCC[C@H]2OC)cc1 4030880 IXIIAAAZONRLLO-HUUCEWRRSA-N 249.354 2.742 0 50 BFAA CCCCNCc1ccccc1OCC 4868369 IWTJLOSDQCEWBZ-UHFFFAOYSA-N 207.317 2.975 0 50 BFAA CCCc1c(C)[nH]c2c(OC)cccc2c1=O 5686255 GCYLRGJLMNXSHC-UHFFFAOYSA-N 231.295 2.798 0 50 BFAA CC[C@@H](C)NC(=O)COc1cc(C)cc(C)c1 14396995 RYRBQMYTPDGTSS-GFCCVEGCSA-N 235.327 2.597 0 50 BFAA C[C@@H](c1ccc(-c2ccc(N)nc2)cc1)N(C)C 32576465 GZTMSUWFLGRUQP-NSHDSACASA-N 241.338 2.953 0 50 BFAA COCc1nc2cc(C(F)(F)F)ccc2n1C 40410197 FYAYMLNZGGPEHG-UHFFFAOYSA-N 244.216 2.739 0 50 BFAA Cc1n[nH]c(-c2c(C)c3cc(F)ccc3n2C)n1 67558960 IMFHSWWPPCULMP-UHFFFAOYSA-N 244.273 2.719 0 50 BFAA O=C1CC=Nc2ccc(Br)cc21 100248388 ZLRZHWUEWCVYHG-UHFFFAOYSA-N 224.057 2.738 0 50 BFAA Cc1cc(C)nc(NCc2cncs2)c1 122296603 BNYIHQIEFMDQFU-UHFFFAOYSA-N 219.313 2.767 0 50 BFAA CC(C)=CC(=O)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 239869276 CXYGHHKYZADZHP-XGFWRYKXSA-N 233.355 2.894 0 50 BFAA C1CCN2CC[C@@H](NC3CC4(CCC4)C3)[C@@H]2C1 336251623 BCVBKARHIYGVIA-KGLIPLIRSA-N 234.387 2.536 0 50 BFAA CCCc1nc2cccc(C(=O)OC)c2o1 575442772 ZJWASRXUZKVBFV-UHFFFAOYSA-N 219.240 2.567 0 50 BFAA C=CC(=O)NC1CC(c2cccc(Cl)c2)C1 848979306 MKXFGKKAVSYNSM-UHFFFAOYSA-N 235.714 2.888 0 50 BFAA CCCC(=O)OCc1ccc(-c2cnc[nH]2)cc1 888093445 PSTYKFKDKMFXMJ-UHFFFAOYSA-N 244.294 2.920 0 50 BFAA O=C1C[C@@H](c2ccccn2)Nc2ccccc2N1 1772716198 XKLQMQDPTQQSNT-ZDUSSCGKSA-N 239.278 2.577 0 50 BFAA Cc1cc(C(=O)NC/C=C/Cl)cs1 1875347298 SROWPUAVRMNFND-NSCUHMNNSA-N 215.705 2.539 0 50 BFAA CC(=O)Nc1ccc(C(=O)c2ccccc2)cc1 125199 OBEXUAPBTUTPDV-UHFFFAOYSA-N 239.274 2.876 0 50 BFAA COc1cc(Cl)c(C)cc1NC(C)=O 145412 FLKGOWKSFPYGAX-UHFFFAOYSA-N 213.664 2.615 0 50 BFAA Cc1c(C=O)c(C=O)c(C)n1Cc1ccccc1 307524 RECJWNWZVDPHTR-UHFFFAOYSA-N 241.290 2.778 0 50 BFAA CCC[C@H]1C[C@@H](c2csc(N)n2)CCO1 330299 SIINGJBLYGBGDL-IUCAKERBSA-N 226.345 2.788 0 50 BFAA CC1=CC2(CC[C@@H]1CO)SCCS2 392830 IACAFCIJTWHDCF-SECBINFHSA-N 216.371 2.511 0 50 BFAA O=Cc1ccc(Br)c(F)c1F 16159967 IMOLPSNRLZLWQR-UHFFFAOYSA-N 221.000 2.540 0 50 BFAA C[C@@H](O)c1cc(Br)ccc1F 40448687 QWIJUQVYIYCHMK-RXMQYKEDSA-N 219.053 2.642 0 50 BFAA COc1ccc(Cl)cc1-c1cc[nH]c(=O)c1 65339420 RMSJGSWBOWNNQD-UHFFFAOYSA-N 235.670 2.704 0 50 BFAA C[C@@H](O)c1c(F)cccc1Br 75852777 JIUIEPDQCBTIEI-RXMQYKEDSA-N 219.053 2.642 0 50 BFAA in-vitro O=C(O)c1ccc2c(Cl)nccc2c1 81990530 VUYRQFWSJKHQLA-UHFFFAOYSA-N 207.616 2.586 0 50 BFAA in-vitro Cc1cc(O)n2nc(-c3ccccc3C)cc2n1 101028699 JUEBYWIQEYDHBI-UHFFFAOYSA-N 239.278 2.719 0 50 BFAA Cc1ccc2c(Br)ccc(N)c2n1 135956191 NGCHTGURXCSMQX-UHFFFAOYSA-N 237.100 2.888 0 50 BFAA CC1=C(O)CCN(Cc2ccccc2)C1 143126136 HSDVWHREPWIIGV-UHFFFAOYSA-N 203.285 2.724 0 50 BFAA C[C@H](CO)SCc1ccc2ncccc2c1 162628851 YTGVBTFMFYWEBZ-SNVBAGLBSA-N 233.336 2.849 0 50 BFAA CCc1ccc(CN2CCO[C@@H]3CCCC[C@H]32)o1 216478586 CEFOSQKBKDUELF-HUUCEWRRSA-N 249.354 2.985 0 50 BFAA O=C(N[C@H]1C=CCCC1)[C@H]1CCC(F)(F)C1 336082630 WUEBKKQLBAHNSN-UWVGGRQHSA-N 229.270 2.647 0 50 BFAA CCc1cc(Cl)ccc1NC(=O)NCCF 426667633 TWTMGXDLVHCADF-UHFFFAOYSA-N 244.697 2.993 0 50 BFAA CCc1noc([C@@H](C)OC(=O)c2ccccc2)n1 744490517 BDTPCWUGRNKHIY-SECBINFHSA-N 246.266 2.550 0 50 BFAA Fc1ccc2cc(-c3cc[nH]n3)cnc2c1 1245312352 BBRJEVZPDZGFPE-UHFFFAOYSA-N 213.215 2.764 0 50 BFAA c1ccc(-c2nccn2Cc2ccco2)nc1 1875241136 OZZODPOJWZODCF-UHFFFAOYSA-N 225.251 2.586 0 50 BFAA Cc1cc(C(=O)O)c(C)n1Cc1cccs1 113674 MYRBXKXOHIDTFU-UHFFFAOYSA-N 235.308 2.913 0 50 BFAA in-vitro Cc1cccc(OCC(=O)NC2CCCC2)c1C 122170 DNDDRGGFPSLXCD-UHFFFAOYSA-N 247.338 2.741 0 50 BFAA Fc1ccc(NCc2cccnc2)cc1F 279815 KYIKZSQMMJDBML-UHFFFAOYSA-N 220.222 2.972 0 50 BFAA O=C(O[C@@H]1C=CCCC1)c1ccccc1 405122 APZIYLKXAJJSIZ-GFCCVEGCSA-N 202.253 2.952 0 50 BFAA Fc1ccc(CSc2ncccn2)cc1 469880 DBYUBQLTSQPTNM-UHFFFAOYSA-N 220.272 2.908 0 50 BFAA Cc1ccc(C(=O)Nc2ccncc2)c(C)c1 514674 YLECUAVPUDPKQM-UHFFFAOYSA-N 226.279 2.951 0 50 BFAA CCCCCC(=O)c1ccc(O)cc1O 1635607 SKUFHZAEFGZSQK-UHFFFAOYSA-N 208.257 2.861 0 50 BFAA CC1(C)C[C@@](CCN)(c2ccccc2)CCO1 2193550 YZLPLFKCBAIVRZ-HNNXBMFYSA-N 233.355 2.862 0 50 BFAA in-vitro NCCCc1c[nH]c2c(Cl)cccc12 2534045 PNIIVCIWROMGMA-UHFFFAOYSA-N 208.692 2.713 0 50 BFAA in-vitro CCCCc1cc(=O)oc2cc(O)cc(O)c12 6359915 MLSSEIYJTVDKTK-UHFFFAOYSA-N 234.251 2.547 0 50 BFAA biogenic Cc1ccc(N[C@@H]2Nc3cc(C)nn3S2)cc1 6966329 VLLYYAUZYOOPRP-GFCCVEGCSA-N 246.339 2.817 0 50 BFAA Cc1nc(-c2ccccc2C(=O)O)cs1 12370832 BNRSCIXYHUTATP-UHFFFAOYSA-N 219.265 2.817 0 50 BFAA in-vitro Nc1oncc1-c1ccc(Br)cc1 15442711 DHBUAOKIJSWCEB-UHFFFAOYSA-N 239.072 2.686 0 50 BFAA in-vitro COC(=O)c1cc(Br)c(C)cc1C 34083094 DVWSCROTFQAIEU-UHFFFAOYSA-N 243.100 2.853 0 50 BFAA CC(C)N[C@H](C)C(=O)c1ccc(Cl)cc1 41609184 AZTFYJYLDIQSAG-SECBINFHSA-N 225.719 2.909 0 50 BFAA in-vitro CCCC[C@H]1CCCN1Cc1ccc(CO)o1 65508740 YIBCFNLRWRRYLY-LBPRGKRZSA-N 237.343 2.927 0 50 BFAA Oc1cnc(F)c(OCc2ccccc2)c1 95616393 KAWIVZRSQXUXJF-UHFFFAOYSA-N 219.215 2.505 0 50 BFAA O=Cc1ccc(Br)c2ccncc12 115090260 GCNVQSHOIPAVTD-UHFFFAOYSA-N 236.068 2.810 0 50 BFAA CCCC(=O)Nc1ccnn1Cc1ccsc1 170071791 TYFFFGDUFWQODR-UHFFFAOYSA-N 249.339 2.732 0 50 BFAA Fc1c(Br)ccc2ncoc12 238554210 ATIKHEOQJQVHEN-UHFFFAOYSA-N 216.009 2.729 0 50 BFAA O=C(Nc1ccsc1)N[C@@H]1CC[C@@H](F)C1 334237479 LZOCVMAMZXCFGM-HTQZYQBOSA-N 228.292 2.760 0 50 BFAA Cc1ccc(C(=O)NCC2CC2)c2ncccc12 929736909 WHGQIAQPUXFZPO-UHFFFAOYSA-N 240.306 2.683 0 50 BFAA O[C@@H]1CCCN(C[C@@H]2CCC=CCCC2)CC1 952991575 ARZVSIBCPTZFAK-HUUCEWRRSA-N 237.387 2.970 0 50 BFAA CC1CCN(C(=O)c2ccc(F)cc2F)CC1 92098 HULIJBRQXQZUBY-UHFFFAOYSA-N 239.265 2.837 0 50 BFAA COc1cc(CNC2CCCCC2)ccc1O 206171 ZIIATZJTKPVSFH-UHFFFAOYSA-N 235.327 2.823 0 50 BFAA Cc1ccc(N)c([C@H](O)c2ccccc2)c1 362966 RFGHBTFPMINONZ-CQSZACIVSA-N 213.280 2.659 0 50 BFAA in-vitro Oc1ccccc1Oc1ccccc1O 1470759 VXHYVVAUHMGCEX-UHFFFAOYSA-N 202.209 2.890 0 50 BFAA in-vitro Oc1c(F)cc(Br)cc1Cl 2382135 QEYONPKSDTUPAX-UHFFFAOYSA-N 225.444 2.947 0 50 BFAA biogenic,in-vitro CCCOc1c(/C=C/C(=O)O)cccc1OC 2404262 KPSQXFCUDMQQNG-BQYQJAHWSA-N 236.267 2.582 0 50 BFAA OCc1cc(Cl)cc(C(F)(F)F)c1 2527771 RHHJWEABQQBUAC-UHFFFAOYSA-N 210.582 2.851 0 50 BFAA in-vitro CCCOc1ccccc1/C=C/C(=O)O 4237794 AVGAJRVCSFECRC-BQYQJAHWSA-N 206.241 2.573 0 50 BFAA in-vitro C[C@@H]1CCCCN1CCOc1ccc(C=O)cc1 6681919 LHPGRQBHPDXRKT-CYBMUJFWSA-N 247.338 2.752 0 50 BFAA CCOc1ccc(NC(=O)c2cc(C)on2)cc1 7639247 GYDYURUGJVRAGH-UHFFFAOYSA-N 246.266 2.634 0 50 BFAA COc1ccc([C@](C)(N)c2ccccc2)cc1 35287564 DBCCNOAPKJBEHN-OAHLLOKOSA-N 227.307 2.917 0 50 BFAA in-vitro O=[N+]([O-])/C=C\c1cccc(Br)c1 44628647 NWHBBZILZXZIBO-PLNGDYQASA-N 228.045 2.697 0 50 BFAA c1ccc2c(c1)CC[C@@H]2Cc1nc(C2CC2)n[nH]1 65409257 FQDZGKZKFSHOIU-GFCCVEGCSA-N 239.322 2.955 0 50 BFAA CC(C)(C)OC(=O)N[C@H]1CCCc2cccnc21 71863742 IPGXGELCTJPNDX-NSHDSACASA-N 248.326 2.984 0 50 BFAA CC(C)(C)OC(=O)N1CC[C@@H](c2ccncc2)C1 95802916 LOTBGBMAQSVUKN-GFCCVEGCSA-N 248.326 2.806 0 50 BFAA in-vitro Fc1cccc(C2=CSC3=NCCN23)c1 102193870 BLTIOXLFAIOTGJ-UHFFFAOYSA-N 220.272 2.543 0 50 BFAA CCc1cc(NC(=O)c2cc(C)n[nH]2)ccc1C 183299756 SYSTWUPGRCGIQI-UHFFFAOYSA-N 243.310 2.841 0 50 BFAA CC(C)(C)[S@@](=O)Nc1ccc(F)cc1 200968126 DASXXMSAEINWRZ-CQSZACIVSA-N 215.293 2.700 0 50 BFAA CCOc1ccc(Br)c(O)c1F 261493878 LEUJIVDSGCHCLO-UHFFFAOYSA-N 235.052 2.693 0 50 BFAA Cc1ccc(N2N[C@@](C)(CC(C)C)NC2=O)cc1 334160366 CAWYVQIFWFPKJH-AWEZNQCLSA-N 247.342 2.792 0 50 BFAA CCC[C@@]1(CC)NC(=O)N(c2ccccc2C)N1 334160943 PJWXIABJNBJYRU-AWEZNQCLSA-N 247.342 2.936 0 50 BFAA Cc1ccc(NC(=O)C2CC(F)(F)C2)cc1 334178568 AFBIYMFOAGYTKE-UHFFFAOYSA-N 225.238 2.979 0 50 BFAA CC[C@H](NC(=O)CC(C)=C(C)C)[C@H](O)C(C)C 585132215 QQJLGKIRUHUJEX-GXTWGEPZSA-N 241.375 2.645 0 50 BFAA Cc1cc2c[nH]nc2cc1[C@@H]1CC[C@@H](C)CN1 757213750 QYRMATFLZVSXTH-RNCFNFMXSA-N 229.327 2.932 0 50 BFAA C=CC(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1 1335860277 LWNHZIBBXMBHGA-WCQYABFASA-N 215.296 2.782 0 50 BFAA COc1ccc(NC(=O)Cc2ccccc2)cc1 128492 LZSPYXRRVCVACQ-UHFFFAOYSA-N 241.290 2.876 0 50 BFAA COC(=O)c1c(C)oc2ccc(OC)cc12 307609 HWAOZFBQSIAOBF-UHFFFAOYSA-N 220.224 2.536 0 50 BFAA biogenic Cc1ccc(NS(=O)(=O)c2ccccc2)cc1 405618 UOPLDEWGEPWRMH-UHFFFAOYSA-N 247.319 2.796 0 50 BFAA C[C@@H]1CCCCN1C(=O)c1c(F)cccc1F 444520 LOCJFGPYHWEXOR-SECBINFHSA-N 239.265 2.979 0 50 BFAA COc1ccc(Br)c2c1C(=O)CC2 1712637 OJDMKCLDADYDRL-UHFFFAOYSA-N 241.084 2.587 0 50 BFAA in-vitro Cc1ccc(-n2nc3c(c2N)CSC3)cc1 2454964 OKOSZGFGHNBTFN-UHFFFAOYSA-N 231.324 2.510 0 50 BFAA COc1cc(F)c(Br)cc1F 2512501 OOTXNQBDWFJMNN-UHFFFAOYSA-N 223.016 2.736 0 50 BFAA biogenic,in-vitro Fc1ccccc1OCCNCc1ccccc1 2559457 RAQVOXNSOSDWHU-UHFFFAOYSA-N 245.297 2.994 0 50 BFAA in-vitro O=C1c2ccc(F)cc2CCc2ncccc21 2599195 PVYLZBOCBZTZDG-UHFFFAOYSA-N 227.238 2.550 0 50 BFAA in-vitro CCCOc1cccc2[nH]c(C(=O)OC)cc12 4235029 CZSTZWSPLKZBBH-UHFFFAOYSA-N 233.267 2.743 0 50 BFAA CCNC(=S)Nc1c(C)cccc1C 4685246 AVPJDTSWZGZVEO-UHFFFAOYSA-N 208.330 2.610 0 50 BFAA CCN(Cc1ccncc1)C(=O)c1ccc(C)o1 6715398 VIFIVLQDOHEYMZ-UHFFFAOYSA-N 244.294 2.645 0 50 BFAA Cc1cccc(CSc2nsc(N)n2)c1 9142739 IKTIBOKEVRYDRS-UHFFFAOYSA-N 237.353 2.721 0 50 BFAA CC(=O)Nc1nc(-c2ccc(C)c(C)c2)c[nH]1 12404842 OXAHSFHHHNNPEM-UHFFFAOYSA-N 229.283 2.652 0 50 BFAA in-vitro Oc1ccccc1C(=S)N1CCCCC1 13130517 FDEJXMBAYGPUFC-UHFFFAOYSA-N 221.325 2.554 0 50 BFAA Cc1ccc(-c2nc3c(cnn3C)[nH]2)c(C)c1F 19147760 MTVVUXIDYWXPJF-UHFFFAOYSA-N 244.273 2.719 0 50 BFAA N=c1sc(=S)[nH]c2sc3c(c12)CCC3 100597977 YUPYWXXEGVKMOS-UHFFFAOYSA-N 240.378 2.989 0 50 BFAA CCCC[C@H](CC)[C@H](O)[C@H](C)[C@@H](C)O 105076228 LJGRJTMTDBCJEG-WISYIIOYSA-N 202.338 2.581 0 50 BFAA in-vitro CC(C)(C)OC(=O)NC1(c2cccc(N)c2)CC1 148460986 KADHMXVNYDEMIS-UHFFFAOYSA-N 248.326 2.783 0 50 BFAA CC1=CCC[C@H](C)[C@H]1CNc1cnn(C)c1 182594344 HZPKTZDXOAGULB-AAEUAGOBSA-N 219.332 2.824 0 50 BFAA FC(F)Oc1cccc(C(F)(F)F)n1 238528829 WJGVQWIIUZTENU-UHFFFAOYSA-N 213.105 2.702 0 50 BFAA C[C@H](O)Cc1ccc2c(c1)CCC(C)(C)O2 258045367 BTMGYHSOGFTNOE-JTQLQIEISA-N 220.312 2.714 0 50 BFAA Cc1nc(C)n(-c2ccc(C(F)(F)F)cc2)n1 825292067 NYOCYOKTCXYXBX-UHFFFAOYSA-N 241.216 2.903 0 50 BFAA Clc1cnccc1-c1nccn1[C@@H]1CCOC1 1857731595 LMSSDTMAOUJCGD-SECBINFHSA-N 249.701 2.560 0 50 BFAA O=C(Nc1ccccc1F)c1cccc(O)c1 33053 JUOLLROLRJWOTP-UHFFFAOYSA-N 231.226 2.784 0 50 BFAA O=[S@](Cc1ccccc1)c1ccccc1 173124 FBPGAWABXWMRAR-HNNXBMFYSA-N 216.305 2.994 0 50 BFAA CC[C@H](c1ccccc1)c1nnc(N)s1 184293 OFIPFQODAWPXGD-SECBINFHSA-N 219.313 2.662 0 50 BFAA in-vitro c1ccc(Cc2nc(-c3cccnc3)no2)cc1 280189 RIEYAKOCKYBOEN-UHFFFAOYSA-N 237.262 2.722 0 50 BFAA COc1ccc(C(=O)Nc2cccc(C)n2)cc1 326768 DLBISYHVGWNYHF-UHFFFAOYSA-N 242.278 2.651 0 50 BFAA O=C(Nc1ccccc1)c1cccc(O)c1 2528073 IFEJZEHNZGEGNM-UHFFFAOYSA-N 213.236 2.645 0 50 BFAA in-vitro CCCNC(=O)COc1ccc2ccccc2c1 2956403 YMTHWRMESHZYNV-UHFFFAOYSA-N 243.306 2.745 0 50 BFAA Cc1c(NCc2cccnc2)cccc1C(=O)O 4935116 NGXRKJYCGOTLFE-UHFFFAOYSA-N 242.278 2.700 0 50 BFAA CCCOc1ccc(C=O)cc1Cn1ccnc1 6659905 JUPHOORCJSVMHL-UHFFFAOYSA-N 244.294 2.533 0 50 BFAA CCCCC(=O)Nc1cc(C(=O)O)ccc1C 12030645 KGWLPOUJWIZHEV-UHFFFAOYSA-N 235.283 2.822 0 50 BFAA CC(C)(C)OC(=O)Nc1ccc(F)cc1C=O 16159807 KRTNPYAOWNCJNZ-UHFFFAOYSA-N 239.246 2.985 0 50 BFAA O=C(O)c1ccc2nc(Cl)ccc2c1 22169763 RHQOQVWVODTTSD-UHFFFAOYSA-N 207.616 2.586 0 50 BFAA in-vitro Cc1ccccc1-c1nc(CC(=O)O)cs1 36804848 QOAVTPCFSGCCJT-UHFFFAOYSA-N 233.292 2.746 0 50 BFAA O=C(O)c1cccc(Nc2ccc(O)cc2)c1 82714784 CYLZYKSKDWZMJG-UHFFFAOYSA-N 229.235 2.834 0 50 BFAA CCc1cc(NCC2(COC)CCCC2)ncn1 95359094 FWVGOXLSRMTBGR-UHFFFAOYSA-N 249.358 2.658 0 50 BFAA O=[S@](O)/C=C/c1ccc(Cl)cc1 114902198 IWDCVEFIUKCWFS-AATRIKPKSA-N 202.662 2.532 0 50 BFAA O=Cc1ccc(Cl)c([N+](=O)[O-])c1Cl 146030340 UPGDZSZALQCTNO-UHFFFAOYSA-N 220.011 2.714 0 50 BFAA COc1ccc([C@@H](CC(C)=O)OB(F)F)cc1 169805616 FBMVZCFEXCXMIO-LLVKDONJSA-N 242.030 2.656 0 50 BFAA CCC[C@]1(COC)CCCN1C(=O)[C@H](C)CC 192763605 KVYCLFDSVSEADU-TZMCWYRMSA-N 241.375 2.840 0 50 BFAA O=c1ccccn1Cc1cc(Cl)ccc1F 195576564 MYIBYQKHJKGENO-UHFFFAOYSA-N 237.661 2.689 0 50 BFAA Cc1nccc(N2CC3C[C@H]4CC2C[C@@H](C3)C4)n1 230192063 LCMLHWCNSKHLBE-VTXSZYRJSA-N 243.354 2.800 0 50 BFAA C[C@H](CCc1ccccc1)NC(=O)[C@H]1C[C@H]1C 239377875 ODKGPKDUWUIWBK-BZPMIXESSA-N 231.339 2.780 0 50 BFAA C[C@H]1C[C@H](NCCSCC2CC2)C[C@@H](C)O1 253370020 LBRNZFCEZNTQAG-PTEHBNRSSA-N 243.416 2.675 0 50 BFAA CC(C)COc1ccc2oc(O)nc2c1 408525099 KQVHOTZWDRUYLL-UHFFFAOYSA-N 207.229 2.568 0 50 BFAA O=C(O)Cc1c[nH]c2ccc(C3CC3)cc12 498049504 YTPPINIMQMFSTK-UHFFFAOYSA-N 215.252 2.672 0 50 BFAA COc1ccc(-c2cnc(C)o2)c(OC)c1 848952802 GMUNKHRTTDIBHE-UHFFFAOYSA-N 219.240 2.667 0 50 BFAA CN(C)Cc1ccc(-c2cnsc2)s1 929084821 NNBUYNJKCCWQBD-UHFFFAOYSA-N 224.354 2.933 0 50 BFAA N[C@H]1Cc2ccc(-c3cccc4[nH]ncc34)cc2C1 2325862030 GSKXZHBYDUPUND-ZDUSSCGKSA-N 249.317 2.656 0 50 BFAA O=c1c(Br)coc2ccccc12 57933 IQIGYNPOESZBDJ-UHFFFAOYSA-N 225.041 2.556 0 50 BFAA biogenic,in-vitro Cc1cc2c(c(C)c1C)CC(C)(C)NC2=O 100216 PIHFCWVXWFVYFD-UHFFFAOYSA-N 217.312 2.676 0 50 BFAA Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC=O 190969 CXCVCIXZMDJVSW-CYBMUJFWSA-N 228.295 2.600 0 50 BFAA COc1ccccc1Nc1cccc2nonc12 194995 AHUDRWGEAPOHLU-UHFFFAOYSA-N 241.250 2.975 0 50 BFAA CC1(C)CN=C(NC2CCCCC2)S1 247147 NJCRJUPYLWKJSV-UHFFFAOYSA-N 212.362 2.790 0 50 BFAA CCC(=O)OC1(c2ccccc2)CCN(C)CC1 1850715 BCQMRZRAWHNSBF-UHFFFAOYSA-N 247.338 2.561 0 50 BFAA in-man CCCNC(=O)c1ccccc1C(F)(F)F 5978748 VLLYUSXCJYKKAB-UHFFFAOYSA-N 231.217 2.845 0 50 BFAA CCC(C)(C)NCc1ccc(OC)c(OC)c1 7260716 KKABARPBHUETLV-UHFFFAOYSA-N 237.343 2.982 0 50 BFAA CCCCc1ncncc1Br 15021315 LLPITUMEHNOXPJ-UHFFFAOYSA-N 215.094 2.582 0 50 BFAA in-vitro CC(C)(C)OC(=O)N1CCC2(CCCO2)CC1 72194623 JLIBXBGSIZHAPD-UHFFFAOYSA-N 241.331 2.567 0 50 BFAA CC[C@@H](O)/C(C)=C/c1ccc(OC)cc1 149826230 FRBJQBKEQMTJBO-WTNCMQEWSA-N 206.285 2.869 0 50 BFAA CC(C)N(C)Cc1ccc(-n2ccnc2)cc1 152570539 KMFSUPJUOIHREJ-UHFFFAOYSA-N 229.327 2.713 0 50 BFAA CC[C@@H](C)C(=O)N(c1ccccc1)[C@H]1CCOC1 192079480 LUNLGNSYNGEFEE-OCCSQVGLSA-N 247.338 2.855 0 50 BFAA Cc1c(N[C@@H]2CCO[C@@H]2C)cnn1C1CCCC1 195456702 PPBAZISJLKBGBZ-DGCLKSJQSA-N 249.358 2.896 0 50 BFAA CC1(C)C[C@]23C(=O)CCC(=O)[C@]2(C)CC[C@@H]13 229762587 PLFWLYJWPAOEIB-HERUPUMHSA-N 220.312 2.751 0 50 BFAA Cc1cccc(NC(=O)C2CCC2)c1F 271890050 HWFLSPARBKYYDC-UHFFFAOYSA-N 207.248 2.873 0 50 BFAA Cc1ccc2n[nH]cc2c1[C@H]1CNCC[C@H]1C 757215592 WGIRJMBUKYLWPS-KOLCDFICSA-N 229.327 2.584 0 50 BFAA F[C@H]1CCCN(CCc2cccs2)C1 902998184 HTRKZQROEPVGRD-JTQLQIEISA-N 213.321 2.725 0 50 BFAA CN(C)c1nccc(-c2cccc3ccoc23)n1 1245610662 FFMHMXMQLUIALO-UHFFFAOYSA-N 239.278 2.956 0 50 BFAA FC1(F)C[C@H]1Cn1ccnc1-c1ccco1 1875245719 NKMDQJBPNUOGGI-QMMMGPOBSA-N 224.210 2.798 0 50 BFAA Oc1ccc(-c2c[nH]nc2C(F)F)cc1 1875360483 BAGBMENVUMAEOL-UHFFFAOYSA-N 210.183 2.720 0 50 BFAA c1ccc(OCCN2CCCCC2)cc1 297746 RSUFKEGMFFPMIB-UHFFFAOYSA-N 205.301 2.551 0 50 BFAA in-vitro CCCC[C@H](CC)CNC(=O)OCC 2757270 IZQLXUAFAGUBOC-JTQLQIEISA-N 201.310 2.949 0 50 BFAA Cc1ccc(C)c(NC(=O)CN2CCCCC2)c1 2883823 CGIDNZNCGMJVGR-UHFFFAOYSA-N 246.354 2.728 0 50 BFAA CC(=O)Nc1ccc(CN2CCC[C@@H](C)C2)cc1 4987757 KVWWNHRBOPRSRT-GFCCVEGCSA-N 246.354 2.877 0 50 BFAA COc1ccc(NC(=O)C(C)C)c2cccnc12 15840673 HJIJZEIGEBXHML-UHFFFAOYSA-N 244.294 2.838 0 50 BFAA C/C=C(\C)CN(C)CCCc1c(C)n[nH]c1C 67908598 FOAZQHBJWGLZIV-IZZDOVSWSA-N 235.375 2.857 0 50 BFAA Nc1ncc(CCc2ccccc2)s1 148169187 FFDIQZFHXKHMES-UHFFFAOYSA-N 204.298 2.511 0 50 BFAA CC1=CCC[C@H](C)[C@@H]1CN[C@@H](C)CCCO 152623215 IIYKRXGZKIPFKQ-MELADBBJSA-N 225.376 2.729 0 50 BFAA CC(C)(C)C(=O)N1CCOC2(CCCCC2)C1 174459247 KYPRUNOXAHWKSQ-UHFFFAOYSA-N 239.359 2.594 0 50 BFAA Cc1c(CN[C@H]2CC(C)(C)C[C@@H]2C)cnn1C 193144705 XGPQYXAKZIRKLG-GWCFXTLKSA-N 235.375 2.643 0 50 BFAA CCNC(=O)[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 195800476 VUNOFAIHSALQQH-SDDRHHMPSA-N 211.349 2.831 0 50 BFAA endogenous,in-man Fc1ccc(OCC2=NOCC2)cc1Cl 1775989713 GLSZJAMNFCUGOT-UHFFFAOYSA-N 229.638 2.634 0 50 BFAA O=C(O)c1ccccc1NC(=O)C1CCCCC1 240954 TVONCUQFOOJSCC-UHFFFAOYSA-N 247.294 2.904 0 50 BFAA CC(=O)Nc1cc(Cl)cc(Cl)c1 408069 BJWFSDFXPISTBZ-UHFFFAOYSA-N 204.056 2.952 0 50 BFAA CCOC(=O)c1ccc(OCC)c(Cl)c1 2548239 KZVDUPODUCECJJ-UHFFFAOYSA-N 228.675 2.915 0 50 BFAA O=Cc1cnc(-c2ccc(F)cc2)s1 2563685 FPMAURQPBMLMSS-UHFFFAOYSA-N 207.229 2.762 0 50 BFAA in-vitro Clc1ccc2[nH]c(C3CCNCC3)nc2c1 14987596 ITMGAACWHFDJNC-UHFFFAOYSA-N 235.718 2.683 0 50 BFAA Cc1cc(-c2cnc3ccccc3c2)nc(N)n1 19144654 MNAMGOVMSLIVMF-UHFFFAOYSA-N 236.278 2.582 0 50 BFAA CCCCn1cnc2cc(C(=O)O)ccc21 21007851 KFQYHZOAIVAGPG-UHFFFAOYSA-N 218.256 2.535 0 50 BFAA in-vitro COCc1cccc(Br)c1 28278323 BZYGFMKYRKQSQG-UHFFFAOYSA-N 201.063 2.596 0 50 BFAA in-vitro NC1CC(c2ccc(Br)cc2)C1 36840693 VNQNQKQBKMLKQN-UHFFFAOYSA-N 226.117 2.654 0 50 BFAA O=c1sccn1Cc1sccc1Cl 253393441 IUKRIDKLMZXYQQ-UHFFFAOYSA-N 231.729 2.673 0 50 BFAA O=C(O)Cc1cc(Cl)c(Cl)cc1F 263623838 LDIKQUVJUXDIDO-UHFFFAOYSA-N 223.030 2.760 0 50 BFAA C[C@@H](NCc1ccsc1)[C@@H]1CCCOC1 309161657 ZIPMEWPTKHTKNQ-ZYHUDNBSSA-N 225.357 2.653 0 50 BFAA CC[C@H](C)N(CC)C(=O)COc1ccccc1 616986240 NSHWRWPHCOUJCO-LBPRGKRZSA-N 235.327 2.712 0 50 BFAA CC(C)c1onc(-c2cncs2)c1C(=O)O 675057383 FBPMPXHQNNNISD-UHFFFAOYSA-N 238.268 2.620 0 50 BFAA OCc1ccc(Cl)c(C(F)(F)F)c1 2382220 JRYCPYROZOWIDJ-UHFFFAOYSA-N 210.582 2.851 0 50 BFAA CC1=C[C@H](C)[C@@H](CNCCCN(C)C)[C@H](C)C1 2464249 TZIMJQBDMVLZIZ-RRFJBIMHSA-N 238.419 2.766 0 50 BFAA O=C(OC1CCCCC1)c1ccc(O)cc1 3963287 HAOWVEVISIQKSC-UHFFFAOYSA-N 220.268 2.882 0 50 BFAA Cc1ccc(C2=NNC(=O)[C@@H]3CCCC[C@H]23)cc1 5794187 CAGGMZIQVSXHRG-QWHCGFSZSA-N 242.322 2.635 0 50 BFAA CC[C@]1(C)N(O)C(C)=C(c2ccccc2)[N+]1=O 13154229 SEXFVTSCMBNHML-CYBMUJFWSA-N 233.291 2.985 0 50 BFAA CCOc1ccc(C(=O)NC(C)C)cc1C 13582192 VBJTYZMBCAQABV-UHFFFAOYSA-N 221.300 2.532 0 50 BFAA COCOc1ccccc1OC(F)(F)F 15444608 SUFHTGIPVZIIFB-UHFFFAOYSA-N 222.162 2.568 0 50 BFAA Cc1nc2ccccc2c(N)c1Br 19721334 SDQHNHYCKZXUNE-UHFFFAOYSA-N 237.100 2.888 0 50 BFAA O=C(O)[C@]12CC=CC[C@H]1Cc1ccccc12 38435513 JVYUXASPSRCULN-SMDDNHRTSA-N 214.264 2.531 0 50 BFAA Cc1cc([C@H](O)C(F)(F)F)ccc1F 50559654 FLOXSHGFDIXSRP-QMMMGPOBSA-N 208.154 2.730 0 50 BFAA CN(C)Cc1csc(Br)c1 60977683 DXQARQGBXBQNNH-UHFFFAOYSA-N 220.135 2.572 0 50 BFAA CC(=O)c1ccc(N(C)C)c(Br)c1 61693619 MICXBJJGVAFDNE-UHFFFAOYSA-N 242.116 2.718 0 50 BFAA CCCCNC(=O)Cc1ccc(Cl)cc1F 72119151 ATHIHJOUERIPLT-UHFFFAOYSA-N 243.709 2.938 0 50 BFAA CCCCc1c(O)c2ccccc2n(C)c1=O 100165135 UGSGKYKRLRQHBS-UHFFFAOYSA-N 231.295 2.587 0 50 BFAA CCOC(=O)/C=C\c1c(F)cccc1F 218485075 COBPFZSQRMQTRT-SREVYHEPSA-N 212.195 2.541 0 50 BFAA CCc1ccc(-c2scnc2CN)cc1 221260592 PDBKUZCWZPQIMX-UHFFFAOYSA-N 218.325 2.831 0 50 BFAA Cc1ccccc1[C@H]1C[C@@H]2CC[C@H](C1)N2 308702227 AXHWCTMKVBUSGF-XYYAHUGASA-N 201.313 2.993 0 50 BFAA CC(C)(C)OC(=O)N1CCCC[C@H]2C[C@@H]21 669378647 LBMYDKALZQLSEU-UWVGGRQHSA-N 211.305 2.796 0 50 BFAA c1ccc(-c2nccn2[C@@H]2C[C@H]3OCC[C@H]32)cc1 1875245626 IVONDDRRHGRYGM-BFHYXJOUSA-N 240.306 2.900 0 50 BFAA Nc1cccc(Cl)c1N1CCCCC1 556357 QKXQIYIXTYLFFD-UHFFFAOYSA-N 210.708 2.913 0 50 BFAA CCOc1ccc(C(=S)N2CCCC2)cc1 2826375 NEMTVQWOBCSJQG-UHFFFAOYSA-N 235.352 2.857 0 50 BFAA O=C(NC1CCCCC1)c1cccnc1Cl 4553864 DWMGLWCQLGOYOC-UHFFFAOYSA-N 238.718 2.798 0 50 BFAA in-vitro OCc1ccc(OCc2cccs2)cc1 4838944 UZNGEKMXBSLGLX-UHFFFAOYSA-N 220.293 2.819 0 50 BFAA in-vitro COc1ccc(Cl)cc1CNC1CC1 6697825 UDKRINXAKRKGMJ-UHFFFAOYSA-N 211.692 2.601 0 50 BFAA Nc1ccc(N=Nc2ccccc2)c(N)n1 12358980 QPFYXYFORQJZEC-UHFFFAOYSA-N 213.244 2.661 0 50 BFAA biogenic,in-vitro COc1ccccc1CN[C@H]1CC[C@@H](C)C1 16662684 RYXPHCWWIJHIGE-YPMHNXCESA-N 219.328 2.973 0 50 BFAA O=C(O)C1(c2cccc(C(F)(F)F)c2)CC1 20357936 NHNFWACSJQAMDR-UHFFFAOYSA-N 230.185 2.822 0 50 BFAA in-vitro Cc1nccnc1-c1coc2ccccc2c1=O 32558310 NXPPFWCATOSXQX-UHFFFAOYSA-N 238.246 2.558 0 50 BFAA CCc1ccc([C@@H](O)C(F)(F)F)cc1 38435144 YAYBTIUHXFCXFT-SECBINFHSA-N 204.191 2.845 0 50 BFAA Cc1ccnc(-n2cnc3ccccc32)c1 65422474 VNLUSNSQGYWNQU-UHFFFAOYSA-N 209.252 2.729 0 50 BFAA COc1ncc(-c2cc(F)ccc2C)c(OC)n1 65461575 DKJTUSQTLCOTHP-UHFFFAOYSA-N 248.257 2.608 0 50 BFAA COc1cc(Cl)ncc1Br 66327913 UUWWGXPWPZJEMG-UHFFFAOYSA-N 222.469 2.506 0 50 BFAA in-vitro CCOC(CC[C@@H](N)c1ccccc1)OCC 71772997 LWNBLMZBQGJPSY-CYBMUJFWSA-N 237.343 2.866 0 50 BFAA Oc1cc(Cl)ccc1OC(F)(F)F 71867312 GJVJHMOKPZBOMS-UHFFFAOYSA-N 212.554 2.944 0 50 BFAA CC(C)(C)OC(=O)CCCCCCCO 148666742 BFFNOXGQNLNKTJ-UHFFFAOYSA-N 216.321 2.661 0 50 BFAA in-vitro OCc1cccc(CNCc2cccs2)c1 163907991 SOIVAWRAALZRMC-UHFFFAOYSA-N 233.336 2.530 0 50 BFAA O=C(c1cccc(C(F)F)c1)N1CCCC1 170915865 BNOVYCDMHHNQMX-UHFFFAOYSA-N 225.238 2.860 0 50 BFAA CCCC1CCC(CN(C)CC(=O)O)CC1 263446780 YCERUQDGBSAGOB-UHFFFAOYSA-N 227.348 2.609 0 50 BFAA CO[C@H]1CCCN(c2ccnc3ccccc23)C1 264725002 IDLMMHLLKJZTRG-LBPRGKRZSA-N 242.322 2.850 0 50 BFAA N=c1[nH]nc(S[C@@H]2C=CCCCCC2)s1 328646475 HHKZVLKEQPJFTI-MRVPVSSYSA-N 241.385 2.932 0 50 BFAA CCc1csc(NC(=O)N2CCC[C@@H]2C)n1 334606430 GACHLASBAHZGDW-QMMMGPOBSA-N 239.344 2.722 0 50 BFAA O=C(c1ccccc1)N1Cc2ccccc2CO1 377171913 NLVZQRRWAGZRLC-UHFFFAOYSA-N 239.274 2.774 0 50 BFAA CC(C)(C)OC(=O)C1(C(=O)O)CCCCCC1 408525998 RJSLYLOJHRCPMC-UHFFFAOYSA-N 242.315 2.753 0 50 BFAA Cc1ccc2n[nH]cc2c1[C@H]1CCNC[C@@H]1C 757213572 POGMBJFZNNTQGQ-QWRGUYRKSA-N 229.327 2.584 0 50 BFAA C1=C[C@H](n2ccnc2-c2ccncc2)CC1 1875242633 WCQBLGZVCWHMDC-LBPRGKRZSA-N 211.268 2.836 0 50 BFAA Cc1cc(C)c2cc(C(=O)N3CCC3)[nH]c2c1C 2325721884 HVPGAHGYVJVMEE-UHFFFAOYSA-N 242.322 2.939 0 50 BFAA CC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1ccccc1 276329 LUMDRWWSKDYVFI-WCFLWFBJSA-N 217.312 2.705 0 50 BFAA COc1cc2c(cc1C=O)CCC(C)(C)O2 337046 GJJMKJVTIZAUSF-UHFFFAOYSA-N 220.268 2.611 0 50 BFAA O=[P@H]1Oc2ccccc2-c2ccccc21 403162 VBQRUYIOTHNGOP-UHFFFAOYSA-N 216.176 2.846 0 50 BFAA in-vitro Cc1ccc(C)c(C(=O)NCc2cccnc2)c1 514723 JFRNQBIUTJCRGM-UHFFFAOYSA-N 240.306 2.628 0 50 BFAA COc1cccc(-c2ccccc2CC(=O)O)c1 2581006 BWFLKFVOJFTSQU-UHFFFAOYSA-N 242.274 2.989 0 50 BFAA in-vitro CC[C@H](C)NC(=O)Nc1ccccc1C 3958908 QRBSOKSITOQKTD-JTQLQIEISA-N 206.289 2.915 0 50 BFAA Cc1oc2ncnc(Nc3cccnc3)c2c1C 5345595 BDVRBOVSNDYWQJ-UHFFFAOYSA-N 240.266 2.978 0 50 BFAA O=C1CCCN1C12CC3CC(CC(C3)C1)C2 5480292 MLSPGERYUBJGGP-UHFFFAOYSA-N 219.328 2.578 0 50 BFAA in-vitro Cc1cc(NC2CC(C)(C)NC(C)(C)C2)ncn1 11902798 FYADSIOHXRRHDW-UHFFFAOYSA-N 248.374 2.506 0 50 BFAA Clc1c(Br)nc2ccccn12 36533243 SRNJQIHHMIDFQP-UHFFFAOYSA-N 231.480 2.750 0 50 BFAA in-vitro CCOC(=O)c1c(F)cccc1Br 47202646 OEFDOVREWMJGGR-UHFFFAOYSA-N 247.063 2.765 0 50 BFAA in-vitro CCN(Cc1cnn(C)c1)Cc1sccc1C 65532348 GMEQDEFFJCSOLI-UHFFFAOYSA-N 249.383 2.812 0 50 BFAA CC(C)c1cncnc1-c1cccc(C(=O)O)c1 67513947 RUMQKEGORGHQPG-UHFFFAOYSA-N 242.278 2.965 0 50 BFAA Cc1ccc(NC(=O)c2ccc(N)cc2)c(C)n1 71774195 LYQGEPVEGHFFJM-UHFFFAOYSA-N 241.294 2.533 0 50 BFAA CC(C)(C)OC(=O)c1ccc(Br)o1 82671093 JFDAPDWITQSTRY-UHFFFAOYSA-N 247.088 2.997 0 50 BFAA COC(=O)C(C)(C)Cc1ccccc1C 91305184 FAKRNIPBQGSRSP-UHFFFAOYSA-N 206.285 2.737 0 50 BFAA in-vitro CC1(C)CN(OCc2ccccc2Cl)C1=O 148384175 ZNTBTPJHUYEBPT-UHFFFAOYSA-N 239.702 2.640 0 50 BFAA C[Si](C)(C)c1ccc([Si](C)(C)C)cc1 169806227 NVRBTKMAZQNKPX-UHFFFAOYSA-N 222.480 2.777 0 50 BFAA Cc1ccc(NC(=O)[C@@H]2[C@H]3CCC[C@H]32)cc1O 245919023 GEOGVAODMLRGLK-PJXYFTJBSA-N 231.295 2.685 0 50 BFAA C[C@@H](CC(F)(F)F)NCc1cccc(CO)c1 534591342 BPZSLQZQENUBGW-VIFPVBQESA-N 247.260 2.609 0 50 BFAA CC(C)c1noc(-c2n[nH]cc2C(F)(F)F)n1 952876723 VGOFZISCSTYJLX-UHFFFAOYSA-N 246.192 2.602 0 50 BFAA C=CC(=O)N1CC(C)(C)[C@@H]1c1ccccc1 952888101 MMYKGASHAHTIBK-ZDUSSCGKSA-N 215.296 2.782 0 50 BFAA Cc1ccncc1NC(=O)[C@@H](C)CC1CC1 1875290618 SRXLGHBNKKQZHE-JTQLQIEISA-N 218.300 2.765 0 50 BFAA Cc1csc(NC(=O)c2ccc(F)cc2)n1 253234 XRCDNIAFDHUUGG-UHFFFAOYSA-N 236.271 2.843 0 50 BFAA CCOC(=O)Cc1ccc2ccccc2c1 394326 PZNMRIQALHUBSJ-UHFFFAOYSA-N 214.264 2.945 0 50 BFAA in-vitro COc1cc(NC(=O)c2ccco2)cc(OC)c1 435928 QNNRVXWYVRTTDI-UHFFFAOYSA-N 247.250 2.549 0 50 BFAA CCNC(=O)[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 4284428 VUNOFAIHSALQQH-IJLUTSLNSA-N 211.349 2.831 0 50 BFAA endogenous,in-man CCOc1ccccc1OCCN1CCCC1 5024298 VMTJYQVFDISMEU-UHFFFAOYSA-N 235.327 2.560 0 50 BFAA Cc1cc(NC(=S)Nc2ccccc2C)[nH]n1 5818605 BXHYVKGJRKQKJK-UHFFFAOYSA-N 246.339 2.835 0 50 BFAA CC[C@H](C)NC(=O)[C@@H](C)Oc1ccc(F)cc1 14397481 UPBPRMPBCDHILN-VHSXEESVSA-N 239.290 2.508 0 50 BFAA CCOP(=O)(OCC)[C@@H](N)c1ccccc1 19798330 KVEBNTWOYMYORY-LLVKDONJSA-N 243.243 2.910 0 50 BFAA CC(C)n1ncc2c(Cl)nc(Cl)nc21 33359129 SHTPXXJWYCEZPN-UHFFFAOYSA-N 231.086 2.714 0 50 BFAA in-vitro O[C@H]1CCC[C@@]12CCCN(Cc1ccccc1)C2 34577109 FXFWHNXQXSFCSD-HOTGVXAUSA-N 245.366 2.814 0 50 BFAA OC[C@@]1(CC2CC2)CCCN(Cc2ccoc2)C1 91965157 NYYQCXWALPLUCH-OAHLLOKOSA-N 249.354 2.654 0 50 BFAA COC(=O)c1cc(Br)c(C)cc1F 95093040 HXRZJJNEXLYOBD-UHFFFAOYSA-N 247.063 2.683 0 50 BFAA in-vitro CSCCn1c2c(sc1=O)CCCCC2 170595990 HSANWOBDRIAEDT-UHFFFAOYSA-N 243.397 2.542 0 50 BFAA COC(=O)c1ccc(CC(C)C)nc1Cl 196546073 ZJFAJXJZQQAVKG-UHFFFAOYSA-N 227.691 2.720 0 50 BFAA CCC[C@@]1(C(F)(F)F)CCCN1C(C)=O 335908870 LOYIMVRNNQVHKD-VIFPVBQESA-N 223.238 2.730 0 50 BFAA CCc1[nH]ccc1C(=O)Nc1cccnc1C 336410048 OLAXSSXBYWNOOL-UHFFFAOYSA-N 229.283 2.533 0 50 BFAA O=Cc1ccc(F)cc1OCC(F)(F)F 585662152 JFQSPKKRTBFDEB-UHFFFAOYSA-N 222.137 2.579 0 50 BFAA CN(CC[C@@H]1CC1(F)F)CC1(CO)CCCC1 828686734 DQYSIUDIMYAWHN-LLVKDONJSA-N 247.329 2.516 0 50 BFAA COCc1nnc(N[C@@H](C)C2=CCCCC2)o1 1772706840 UURFRYNJKLEGMT-VIFPVBQESA-N 237.303 2.517 0 50 BFAA O=C(O)/C=C/c1ccc(F)cc1Cl 156381 RJCWBTRMWGOREZ-DUXPYHPUSA-N 200.596 2.577 0 50 BFAA in-vitro CC(=O)Nc1ccc2nc(C)ccc2c1 190022 ZWLXQDPVQTXRLQ-UHFFFAOYSA-N 200.241 2.502 0 50 BFAA O=C(NCc1ccccc1)c1cccs1 290604 WCGCLWNPEQTVSG-UHFFFAOYSA-N 217.293 2.678 0 50 BFAA O=C(/C=C/c1ccc(Cl)cc1)N1CCCC1 320944 JPBLTINKPAYBRJ-VMPITWQZSA-N 235.714 2.976 0 50 BFAA COc1ccc(C(=O)N(C(C)C)C(C)C)cc1 1596283 IZNMHGFRJFLYSK-UHFFFAOYSA-N 235.327 2.954 0 50 BFAA Nc1nn(Cc2ccccc2Cl)cc1Cl 2578496 ACUOMNKXCGSWCA-UHFFFAOYSA-N 242.109 2.820 0 50 BFAA O=C(O)Cc1cccc(OCc2ccccc2)c1 3750845 LLZKAZNUCYYBQO-UHFFFAOYSA-N 242.274 2.893 0 50 BFAA in-vitro Cc1nonc1OCC12CC3CC(CC(C3)C1)C2 4361562 PSUMINFHDRKMFJ-UHFFFAOYSA-N 248.326 2.973 0 50 BFAA Cc1cc(=O)[nH]c(Nc2ccc(C)c(Cl)c2)n1 5626014 NCECTAHOPXYCNH-UHFFFAOYSA-N 249.701 2.784 0 50 BFAA Cc1cccc(CC(=O)Nc2nc(C)cs2)c1 6726438 GIVFDKMNUVDHEJ-UHFFFAOYSA-N 246.335 2.941 0 50 BFAA Cc1ccc2nc(C)c(C)c(C(=O)O)c2c1 19088334 RUYKALAWHTVPKK-UHFFFAOYSA-N 215.252 2.858 0 50 BFAA in-vitro Cc1nc(C(=O)O)cc2c1[nH]c1ccccc12 19204246 MFEZJNMQTQMDRQ-UHFFFAOYSA-N 226.235 2.723 0 50 BFAA biogenic,in-vitro CCOC(=O)[C@H](NCC(C)C)c1ccccc1 37853299 PEJYAMCCFVSGGU-CYBMUJFWSA-N 235.327 2.536 0 50 BFAA COc1ccc2c(c1)CN1CCCC[C@H]1C2 71773938 KYCHMUTWEADXKT-ZDUSSCGKSA-N 217.312 2.606 0 50 BFAA COCCOc1cc(Br)ccc1C 74934308 NCUJZKUKXMXJJK-UHFFFAOYSA-N 245.116 2.783 0 50 BFAA in-vitro CCOc1cc(C=O)ccc1Br 85476824 UOTABGHBTFXTCU-UHFFFAOYSA-N 229.073 2.660 0 50 BFAA in-vitro O=Cc1cccc(-c2ccncc2F)c1 157500938 LRCSAHXMQCQFKN-UHFFFAOYSA-N 201.200 2.700 0 50 BFAA C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2C)CC(C)(C)C1 239308975 HCNCEEAFXADKPJ-WISYIIOYSA-N 223.360 2.973 0 50 BFAA Fc1ccc(O[C@H]2CCOC2)c(Cl)c1 241897363 TYBUYZRCMIAFQM-QMMMGPOBSA-N 216.639 2.647 0 50 BFAA CC1(C)CCN(c2ncnc3[nH]ccc23)CC1 339135891 WQQFFPUMWMDHLK-UHFFFAOYSA-N 230.315 2.584 0 50 BFAA CC(C)n1cncc1-c1ccc(F)c(C(=O)O)c1 725246408 ZMLNCEDDIUTABH-UHFFFAOYSA-N 248.257 2.968 0 50 BFAA CC[C@H](C)CCNCc1cccc2nonc12 952874231 YWQKLKJJJGJTRP-JTQLQIEISA-N 233.315 2.749 0 50 BFAA C=CC(=O)NC1C[C@H]2CCCCC[C@@H]2C1 1775997748 KXHJYOIWBHLXMA-GHMZBOCLSA-N 207.317 2.648 0 50 BFAA C=CC(=O)Nc1ccc(OCC2CC2)cc1F 1776007394 ZCSMAXVWRDBLRU-UHFFFAOYSA-N 235.258 2.739 0 50 BFAA OC[C@H]1CCCCN1Cc1cccc(Cl)c1 209402 JLYNMEAUJQGQJV-CYBMUJFWSA-N 239.746 2.687 0 50 BFAA C[C@H](CCc1ccccc1)NC[C@H]1CCCO1 221439 MCHGAQOKJAJLPN-UKRRQHHQSA-N 233.355 2.776 0 50 BFAA Cc1ccc2c(Cl)c(C(N)=O)sc2c1 442808 NUIWQDQQDZQXOL-UHFFFAOYSA-N 225.700 2.962 0 50 BFAA O=Cc1ccnc2ccc(Br)cc12 1526837 HXUKIEBEEIAVFD-UHFFFAOYSA-N 236.068 2.810 0 50 BFAA O=C(Cc1ccccc1)N1CCCCCC1 4019998 YQFGAISEJFMVGK-UHFFFAOYSA-N 217.312 2.632 0 50 BFAA O=C(Nc1ccc2[nH]ncc2c1)C1CCCC1 6700498 KJZHODCXSKEVCZ-UHFFFAOYSA-N 229.283 2.692 0 50 BFAA COc1ccc(/C=C/c2cccc[n+]2C)cc1 12416565 SOZFNYJOEMCPLP-RMKNXTFCSA-N 226.299 2.690 0 50 BFAA CC[C@H](C)NC(=O)NCc1ccc(Cl)cc1 13746305 GKBJVSYEGVKPCO-VIFPVBQESA-N 240.734 2.938 0 50 BFAA CC[C@@H](C(=O)O)n1cc(C(C)=O)c2ccccc21 16474936 WONGCYPXRDVLEE-LBPRGKRZSA-N 245.278 2.880 0 50 BFAA O=C(c1cc2c([nH]1)CCCC2)C(F)(F)F 32498050 HDPKWBHYSKDNTF-UHFFFAOYSA-N 217.190 2.639 0 50 BFAA c1ccc(C2(CN[C@H]3CCOC3)CCCC2)cc1 88677071 ZUYBDFBPSYOARP-HNNXBMFYSA-N 245.366 2.877 0 50 BFAA CCOC(=O)Cn1c(C)cc2cc(F)ccc21 95707378 XCVUPRULBFEFCC-UHFFFAOYSA-N 235.258 2.652 0 50 BFAA CCCOc1cccc(-c2nccnc2NC)c1 126200889 OPQKUKTXFLETLE-UHFFFAOYSA-N 243.310 2.974 0 50 BFAA CCn1c(C)nnc1CSc1ccc(C)cn1 194693078 DZPMFBXPVYPQJW-UHFFFAOYSA-N 248.355 2.602 0 50 BFAA CC(=O)N(C)C[C@H]1[C@@H](C)CC(C)=C[C@H]1C 222237213 COCCDELCQAVHHZ-NTZNESFSSA-N 209.333 2.703 0 50 BFAA O[C@@](c1ccccc1)(c1ccc[nH]1)C(F)(F)F 231514467 AFRUUCVKSGGORC-NSHDSACASA-N 241.212 2.813 0 50 BFAA C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccccn1 246384184 NMLZXZFDWNQEIZ-YRGRVCCFSA-N 244.338 2.875 0 50 BFAA CCCCOc1c(OC)ccc(O)c1F 261494093 PRLOKZYJISCEBK-UHFFFAOYSA-N 214.236 2.719 0 50 BFAA c1nc(N2CC(C3CCCC3)C2)c2cc[nH]c2n1 335818026 BVMSMRGKXHQLON-UHFFFAOYSA-N 242.326 2.584 0 50 BFAA c1ccc(CNCC[C@H]2C[C@H]3CC[C@H]2O3)cc1 459688961 IJLIGCWJBRDRGU-RRFJBIMHSA-N 231.339 2.734 0 50 BFAA C[C@@H](CN(C)CC1(CO)CCC1)c1ccccc1 670457654 QMIIELJJVCJZHD-AWEZNQCLSA-N 247.382 2.885 0 50 BFAA Cc1ccc(-c2cccc(CC(=O)O)c2)c(C)n1 1242264368 YFGYLCTXPCTYHM-UHFFFAOYSA-N 241.290 2.993 0 50 BFAA CCOC(=O)Nc1ccc2c(C)cc(=O)oc2c1 77961 SGBODDRGQKZBFJ-UHFFFAOYSA-N 247.250 2.670 0 50 BFAA biogenic,in-vitro OCCn1c2ccccc2c2ccccc21 360852 IIKVAWLYHHZRGV-UHFFFAOYSA-N 211.264 2.787 0 50 BFAA CCOC(OCC)(OCC)c1ccccc1 391829 BQFPCTXLBRVFJL-UHFFFAOYSA-N 224.300 2.906 0 50 BFAA COc1ccc(C(=O)Nc2cccc(O)c2)cc1 408595 ZMGNPCHNENKCPW-UHFFFAOYSA-N 243.262 2.653 0 50 BFAA Oc1c(Cl)cccc1Br 2038970 LUECOFFMVWPWDR-UHFFFAOYSA-N 207.454 2.808 0 50 BFAA in-vitro CSc1ccccc1C(=O)NCc1ccco1 2875892 WLHMEKCRMKXHFO-UHFFFAOYSA-N 247.319 2.932 0 50 BFAA CCc1ccc(C(=O)O)cc1Br 4615112 XUESCTMXEQFNKI-UHFFFAOYSA-N 229.073 2.710 0 50 BFAA in-vitro CCc1cccc(NC(=O)c2cc(C)on2)c1 7311152 YSHBVXVNERIZIP-UHFFFAOYSA-N 230.267 2.798 0 50 BFAA COc1ccc(-c2csc(C(=O)O)n2)cc1 12404818 ZYQVZIBTYDJJHV-UHFFFAOYSA-N 235.264 2.517 0 50 BFAA in-vitro CN(C)Cc1ccc([C@H]2CCCCN2)cc1 19087956 LKYXWYHLHCVKNO-CQSZACIVSA-N 218.344 2.563 0 50 BFAA C[C@H](CCO)NCCC1CCCCCC1 20454830 YORMVZMTYRFDRS-GFCCVEGCSA-N 213.365 2.707 0 50 BFAA CC(C)c1noc(-c2cccc3nccnc23)n1 20997541 FJYMBSAEGOSGKW-UHFFFAOYSA-N 240.266 2.803 0 50 BFAA O=C(O)c1ccc2nc(Cl)c(Cl)nc2c1 21984719 ZGQQEHVULTVXQD-UHFFFAOYSA-N 243.049 2.635 0 50 BFAA CCOC(=O)C(F)(F)c1ccc(C)c(F)c1 31829531 OMTJCZYVYRPDAW-UHFFFAOYSA-N 232.201 2.789 0 50 BFAA Cc1cccc(-c2cc(C(=O)O)ccn2)c1 41226822 IAIXMJKQOKCRSW-UHFFFAOYSA-N 213.236 2.755 0 50 BFAA CN(Cc1ccccc1)Cc1ccncc1 55292101 QFYLUSHTNIEUGK-UHFFFAOYSA-N 212.296 2.714 0 50 BFAA CCCCc1nncn1-c1ccc(OC)cc1 67772161 BQUXKRJCICBMEZ-UHFFFAOYSA-N 231.299 2.619 0 50 BFAA C[C@H](O)c1ncc(Cl)cc1Br 91692955 AUVBGIYQOJAROI-BYPYZUCNSA-N 236.496 2.551 0 50 BFAA in-vitro c1ccc2c(c1)OCC[C@@H]2N1CCCC1 96027109 SFGGMQKXDPHFTE-LBPRGKRZSA-N 203.285 2.606 0 50 BFAA O=C(O)c1cc2cc(Cl)c(F)cc2o1 212527140 SQMUCQPNWWFEGN-UHFFFAOYSA-N 214.579 2.924 0 50 BFAA O=C(O)C1[C@H]2CC3C[C@H]1CC(Cl)(C3)C2 221858061 TWZOJSZNFGTGSF-JSPMKAMFSA-N 214.692 2.505 0 50 BFAA C[C@H](c1ccoc1)N1CCC[C@@H](N2CCCC2)C1 221904080 OGFHURSPWBZXCM-UKRRQHHQSA-N 248.370 2.901 0 50 BFAA Oc1cc(Cl)c(Br)cc1F 263623542 IJPATGHIFLKJRI-UHFFFAOYSA-N 225.444 2.947 0 50 BFAA c1cncc([C@@H]2CCCN2Cc2cncs2)c1 335150149 VRBPOEJMYWSAHQ-ZDUSSCGKSA-N 245.351 2.875 0 50 BFAA CN(C)c1nsc(-c2cc(F)cc(F)c2)n1 426380178 WJPXBOJHRKQGHL-UHFFFAOYSA-N 241.266 2.549 0 50 BFAA C=CC(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 863971383 QZPSTAIWTALKPD-KFWWJZLASA-N 241.334 2.967 0 50 BFAA N[C@H](C1CCC1)C1(O)CCCCCCC1 958527704 FBKOVVBMJLUWGO-GFCCVEGCSA-N 211.349 2.589 0 50 BFAA FC(F)CN1CCOCC[C@@H]1c1ccccc1 1875292715 QPGSKBKNMKYROZ-GFCCVEGCSA-N 241.281 2.715 0 50 BFAA O=C(C1CC(F)C1)N1CCCOc2ccccc21 2325767632 HIWLAEKWIKIMHH-UHFFFAOYSA-N 249.285 2.550 0 50 BFAA C[C@@H](Oc1ccccc1)C(=O)NC1CCCCC1 30426 HXTHROHHQBSOET-GFCCVEGCSA-N 247.338 2.903 0 50 BFAA Cc1ccc(-c2cn3cccnc3n2)cc1 136440 FXPRTYODRQWLLM-UHFFFAOYSA-N 209.252 2.705 0 50 BFAA in-vitro C[C@@H]1SC2(OC1=O)C1CC3CC(C1)CC2C3 264354 PYQRVDCYNOYRCX-UJPKHONOSA-N 238.352 2.817 0 50 BFAA CC(C)NC(=O)c1cc2ccccc2o1 354510 DHJKLUSUAQEWPB-UHFFFAOYSA-N 203.241 2.571 0 50 BFAA Cc1ccccc1[C@H](NC(N)=O)c1ccccc1 436941 VLBUUPJRYPTPGB-CQSZACIVSA-N 240.306 2.753 0 50 BFAA Cc1cc(C(=O)O)c2cc(Cl)ccc2n1 874170 GSWWVOHRAYFEHC-UHFFFAOYSA-N 221.643 2.895 0 50 BFAA in-vitro Cc1cc(C(=O)Nc2cc(F)ccc2F)no1 2807572 YVTMPFRLXHCHMC-UHFFFAOYSA-N 238.193 2.514 0 50 BFAA CCc1cc(OCCN(C)C)ccc1Cl 4915353 YANUUEPVHQSPIS-UHFFFAOYSA-N 227.735 2.843 0 50 BFAA CN(CCc1ccccn1)Cc1cccs1 19607188 DVVDQXWIXKBSGE-UHFFFAOYSA-N 232.352 2.818 0 50 BFAA COc1ccc(N[C@H]2CCSC2)cc1 19964704 OFHXGSLBJLPLFQ-JTQLQIEISA-N 209.314 2.613 0 50 BFAA Cc1ccc2nc(-c3ccc(CO)o3)[nH]c2c1C 55099557 WSDDMKAMKHAVQX-UHFFFAOYSA-N 242.278 2.932 0 50 BFAA O=C(OCc1ccccc1)C1CC(F)(F)C1 91368704 RRSMHVQRSRIXGF-UHFFFAOYSA-N 226.222 2.775 0 50 BFAA in-vitro Cc1n[nH]c2cc(Br)c(F)cc12 95917739 ZNFWMSIESUUWJQ-UHFFFAOYSA-N 229.052 2.773 0 50 BFAA in-vitro Cc1ccc(-c2nc(-c3ccccn3)no2)cn1 109500452 HKDKVZSQBRGWBC-UHFFFAOYSA-N 238.250 2.502 0 50 BFAA O=C(Nc1ccc(Cl)nc1)C1[C@H]2CCC[C@H]12 178104888 LUBKIUPSYISTMZ-IUCAKERBSA-N 236.702 2.720 0 50 BFAA CN1C[C@@H]2CC=CC[C@@]2(c2ccccc2)C1 215996167 AHGAVHJUYSTWDF-GJZGRUSLSA-N 213.324 2.836 0 50 BFAA Nc1cccc(C(F)(F)F)c1OC(F)F 258838158 VPKYHQUXOGYBKR-UHFFFAOYSA-N 227.132 2.889 0 50 BFAA CCC/C=C/c1ccc(CN2CCOCC2)cn1 426382941 QLBRLIDILNOGEI-SNAWJCMRSA-N 246.354 2.727 0 50 BFAA CN(Cc1ccoc1)C[C@@H]1Cc2ccccc2O1 670473331 LFNOWNQBGOSSSM-AWEZNQCLSA-N 243.306 2.715 0 50 BFAA CC(=O)N1CC[C@H](c2ccc(F)c(F)c2)[C@@H]1C 1875288912 KXMOKDLALOFVOV-KWQFWETISA-N 239.265 2.689 0 50 BFAA CC[C@@H](c1ccccc1)c1nnc(N)s1 184291 OFIPFQODAWPXGD-VIFPVBQESA-N 219.313 2.662 0 50 BFAA in-vitro CC(=O)NCc1ccc2[nH]c3c(c2c1)CCCC3 612119 CJAVXFGYSLQPDJ-UHFFFAOYSA-N 242.322 2.683 0 50 BFAA CCN1CCC(N[C@@H]2CCC[C@H](C)[C@@H]2C)CC1 757627 YCHOAJGUGVCVSR-KCQAQPDRSA-N 238.419 2.885 0 50 BFAA N=C(S)NN=Cc1c(Cl)cccc1Cl 1775264 JWTQZQFPOKSWPZ-UHFFFAOYSA-N 248.138 2.781 0 50 BFAA COCCc1ccccc1Br 2173136 QXOAJUVEMRWHQT-UHFFFAOYSA-N 215.090 2.638 0 50 BFAA c1ccc2c(c1)CSC21CCNCC1 2391736 KYAIBVZDNUDUJE-UHFFFAOYSA-N 205.326 2.512 0 50 BFAA COc1c(C)cc(CC2CCNCC2)cc1C 2555456 FGHGJNIIQUNGRT-UHFFFAOYSA-N 233.355 2.854 0 50 BFAA CCCCNCCOc1ccc(C)cc1 2932698 BWHPBHJWZHBGGY-UHFFFAOYSA-N 207.317 2.764 0 50 BFAA CCCNC(=O)c1ccc(SC)cc1OC 2958451 VCWGBHQBCSITDV-UHFFFAOYSA-N 239.340 2.557 0 50 BFAA CCC(=O)c1ccc(Br)cc1N 3878707 AGLYBVSXCJCLLJ-UHFFFAOYSA-N 228.089 2.624 0 50 BFAA CCN(CC)C(=O)Nc1ccccc1C 3958905 XVISAHSGRUDYSD-UHFFFAOYSA-N 206.289 2.869 0 50 BFAA Cc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)C2=O 4029772 OBHVGYORQQHBKS-SECBINFHSA-N 243.306 2.810 0 50 BFAA biogenic CC1(C)OC(=O)N2CCc3sccc3[C@@]21C 6668435 MLLISFAQTWSGPF-GFCCVEGCSA-N 237.324 2.750 0 50 BFAA CN(C(=O)c1ccccc1O)C1CCCCC1 6701058 CZBJNAZRHZAZOF-UHFFFAOYSA-N 233.311 2.797 0 50 BFAA O=C(Nc1ccccc1O)c1cccc(F)c1 9459056 HPFPLLAXJLZQSV-UHFFFAOYSA-N 231.226 2.784 0 50 BFAA Cc1cnc(NC(=O)OCc2ccccc2)cn1 38537116 DYKSQZLJHRCKSV-UHFFFAOYSA-N 243.266 2.534 0 50 BFAA in-vitro C[C@H](COc1ccccc1)NC(=O)C1CCCC1 55731076 POAGSNYFJJHMSL-GFCCVEGCSA-N 247.338 2.760 0 50 BFAA O=c1cccc(-c2cccc3cccnc23)[nH]1 65507770 SJXFMFYSLMWNKZ-UHFFFAOYSA-N 222.247 2.590 0 50 BFAA CCc1nc2ncc(-c3c(C)n[nH]c3C)cc2[nH]1 96147814 SUULBHUIJHOLOD-UHFFFAOYSA-N 241.298 2.527 0 50 BFAA CC[C@@H](C)N1CCN(C[C@@H]2C[C@H]3C=C[C@H]2C3)CC1 100610169 GZCRAGOTMUZNSI-UGUYLWEFSA-N 248.414 2.615 0 50 BFAA CCC[C@@]1(COC)CCCN1C(=O)[C@@H](C)CC 192763592 KVYCLFDSVSEADU-JSGCOSHPSA-N 241.375 2.840 0 50 BFAA CC[C@@](C)(CCO)NC(=O)C1CCCCCC1 226534124 WEVMEGAFGDRCNF-AWEZNQCLSA-N 241.375 2.624 0 50 BFAA Cc1cccc([C@H]2CCCN2CC(=O)O)c1C 237728247 AMGPSJPGXNFLRA-CYBMUJFWSA-N 233.311 2.525 0 50 BFAA Cc1ccnc(NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)n1 249296480 RBJHCEKTGKPLCT-SRVKXCTJSA-N 245.326 2.550 0 50 BFAA Cc1cncc(N[C@H]2C[C@H]3CC[C@H]2C3)c1 252762002 YPLKARAMIAGRFL-GVXVVHGQSA-N 202.301 2.991 0 50 BFAA C[C@@H]1CC[C@H](NCC(C)(C)CCO)C[C@H]1C 253370345 PORANGSONGZKAI-UPJWGTAASA-N 227.392 2.809 0 50 BFAA CCc1nc(-c2cccc(OC(C)C)c2)n(C)n1 426383321 PYFJBZBMHSLYKH-UHFFFAOYSA-N 245.326 2.832 0 50 BFAA CCSC[C@H](C)NCc1cc(C2CC2)n[nH]1 584889805 AGOVBKVXABLDTC-VIFPVBQESA-N 239.388 2.518 0 50 BFAA CC[C@H](NC(=O)c1c[nH]cc1C)c1ccccn1 585088045 IFCBKYAARNAKDK-LBPRGKRZSA-N 243.310 2.599 0 50 BFAA C[C@@H](N)c1cc2cccc(Cl)c2c(O)n1 690696461 DBMRZUYQNJBNMD-ZCFIWIBFSA-N 222.675 2.614 0 50 BFAA COC(=O)/C=C1/C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 757190929 GFXDYPFXBWSGTH-XFXRAVGXSA-N 206.285 2.542 0 50 BFAA CC(C(=O)NCc1nc(C)c(C)o1)=C1CCCC1 952992948 PTCXKQKZXLKFKG-UHFFFAOYSA-N 248.326 2.798 0 50 BFAA O=Cc1ccc(OCc2ccccc2)cc1O 336921 AMLKEDBYDOCGEG-UHFFFAOYSA-N 228.247 2.784 0 50 BFAA in-vitro O=C(CSc1ccccc1)NC1CCCC1 444122 NHWFUAKAKYWWJH-UHFFFAOYSA-N 235.352 2.838 0 50 BFAA Cc1ccc(CC(=O)Nc2cc(C)ccn2)cc1 466704 NYCKWDHUTVXDKA-UHFFFAOYSA-N 240.306 2.880 0 50 BFAA c1cc(-c2nnc(-c3ccncc3)s2)ccn1 1081512 UQDBUNOBHAOPPJ-UHFFFAOYSA-N 240.291 2.662 0 50 BFAA COC(=O)c1c(Cl)ccc(Cl)c1OC 2516178 AWSBKDYHGOOSML-UHFFFAOYSA-N 235.066 2.789 0 50 BFAA COc1ccc([C@H](C(=O)O)c2ccccc2)cc1 2575265 LLILURMTCOXPIU-CQSZACIVSA-N 242.274 2.912 0 50 BFAA O=C(O)/C=C/c1ccc(OCCCF)cc1 2576520 OYMMKASGSUZMPT-QPJJXVBHSA-N 224.231 2.523 0 50 BFAA CSc1nnc2c(n1)[nH]c1c(C)cccc12 5730771 OSUVBCRFXBJDKL-UHFFFAOYSA-N 230.296 2.536 0 50 BFAA CCc1noc(C)c1C(=O)Nc1ccc(F)cc1 7915449 BCMKHHBMNONZGS-UHFFFAOYSA-N 248.257 2.937 0 50 BFAA Nc1nnc(-c2ccc(Cl)cc2Cl)o1 19385684 CFAKQLAZXZWZLX-UHFFFAOYSA-N 230.054 2.626 0 50 BFAA in-vitro Cc1ccc(NC(=O)c2coc(C)n2)c(C)c1 22606328 KIYHKVGZDYZXFT-UHFFFAOYSA-N 230.267 2.852 0 50 BFAA O=C(O)CCc1ccc(F)cc1Br 34564927 VHFQIJJCQTZKFK-UHFFFAOYSA-N 247.063 2.605 0 50 BFAA O=C(O)c1ccc(F)cc1-c1ccc(CO)cc1 65349921 NJDRQQOCPYESCV-UHFFFAOYSA-N 246.237 2.683 0 50 BFAA in-vitro Cn1c(Cl)nc2ccc(Cl)cc21 66346854 UGDFPXYCSUHXBG-UHFFFAOYSA-N 201.056 2.880 0 50 BFAA Cn1ncnc1[C@]1(c2ccccc2F)CC1(C)C 91551529 YVDHXSLFNKBULI-CQSZACIVSA-N 245.301 2.670 0 50 BFAA Cc1cccc(-c2cc3nc(C)cc(O)n3n2)c1 100311507 PTYYJJVGLBJEJE-UHFFFAOYSA-N 239.278 2.719 0 50 BFAA COc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1 101671219 ATEMUGFCSNIPOK-VHRBIJSZSA-N 245.322 2.614 0 50 BFAA FC(F)(F)c1ccn(-c2ncccc2Cl)n1 114046800 IADZROUQPRNNNZ-UHFFFAOYSA-N 247.607 2.940 0 50 BFAA Brc1cccc(N2CCC2)c1 116882317 HGKYRIFEOGFCJN-UHFFFAOYSA-N 212.090 2.659 0 50 BFAA COC[C@@H](N[C@H](C)c1ncc(C)s1)C(C)C 125269693 LYUGXSMQECLTEF-GHMZBOCLSA-N 242.388 2.773 0 50 BFAA Oc1cc(F)c(CN2CCCC2)c(Cl)c1 149448221 BCUUXUCBYVNBHP-UHFFFAOYSA-N 229.682 2.781 0 50 BFAA CNc1cc(Cl)ccc1OC[C@@H]1CCOC1 187374543 JSFXRSHYETZAQS-SECBINFHSA-N 241.718 2.797 0 50 BFAA CC(=O)c1ccc(N[C@@H](C)c2ccncc2)nc1 193373101 GZQURVZCTOBDQQ-JTQLQIEISA-N 241.294 2.852 0 50 BFAA Cc1cn(C)c2nc(Cl)nc(Cl)c12 238490753 MBMIWDMRNZISLI-UHFFFAOYSA-N 216.071 2.584 0 50 BFAA CCS[C@H]1CCC[C@@H]1NCCCF 252490152 KKOOORAGCNQZIA-UWVGGRQHSA-N 205.342 2.610 0 50 BFAA Cc1c(Br)cncc1OC(F)F 263625377 ZIILORLFZFINAD-UHFFFAOYSA-N 238.031 2.754 0 50 BFAA C[C@H]1CC(=O)Nc2cccc(Br)c21 1857779723 CKFDQRJLNGWLLT-LURJTMIESA-N 240.100 2.895 0 50 BFAA C[C@@H](n1ccnc1-c1ccccc1)C1(O)CC1 1875250800 IBKOGWAKHFCOGT-LLVKDONJSA-N 228.295 2.636 0 50 BFAA C=CC(=O)N[C@@H](CC)Cc1ccc(C)cc1 1875366540 UEAZMPBPNTYPSI-ZDUSSCGKSA-N 217.312 2.618 0 50 BFAA COc1c(C)[nH]c(C(=O)OC(C)(C)C)c1C 398691 KPWGERIKGPRVQX-UHFFFAOYSA-N 225.288 2.595 0 50 BFAA CCOc1ccc(NC(=O)c2ccccn2)cc1 484510 ZDKOYNFJCFHHDT-UHFFFAOYSA-N 242.278 2.733 0 50 BFAA CC[C@@H](O)c1c(F)c(F)c(F)c(F)c1F 2585364 QRHBGWMLUAGPNM-GSVOUGTGSA-N 226.144 2.826 0 50 BFAA CC[C@H](C)NCCOc1ccccc1C 2825517 GZITZZZQZZAJCB-LBPRGKRZSA-N 207.317 2.762 0 50 BFAA CC(C)(C)OC(=O)N[C@H]1CNc2ccccc2C1 4202329 GAURNOYXRZQBNV-LLVKDONJSA-N 248.326 2.548 0 50 BFAA in-vitro COc1cccc2c1CCC[C@@H]2N(C)C 5689275 ZVHMNCGDTLBTSK-LBPRGKRZSA-N 205.301 2.634 0 50 BFAA CCN1CCN(CC[C@H](C)c2ccccc2)CC1 19634847 HSDUFMYTMWJGSD-HNNXBMFYSA-N 246.398 2.818 0 50 BFAA CNC(=O)c1ccc(-c2ccc(Cl)cc2)o1 23641211 BUBUFCQRWRTQMO-UHFFFAOYSA-N 235.670 2.960 0 50 BFAA Nc1cc(C(F)(F)F)nc2ccccc12 36533602 LDALBEJGMLUINP-UHFFFAOYSA-N 212.174 2.836 0 50 BFAA in-vitro COC[C@H](C)NCCn1c(C)cc2ccccc21 53525506 SCZTZUPGCRNDLX-LBPRGKRZSA-N 246.354 2.574 0 50 BFAA Cc1nc(OC(C)C)ccc1Br 65337562 GYOFZTOVTHSQLP-UHFFFAOYSA-N 230.105 2.940 0 50 BFAA in-vitro COc1ccc(-c2c[nH]c(C)n2)c(C)c1 65406989 GNOHHKXPVGGMAH-UHFFFAOYSA-N 202.257 2.702 0 50 BFAA C(=C/c1cnc2n[nH]nc2c1)\c1ccccc1 67786240 XNPOTOYDIVCVMI-VOTSOKGWSA-N 222.251 2.523 0 50 BFAA COC(C)(C)OCCC[C@@]1(C)COC(C)(C)O1 71786811 JXLCFSUWOQEKSR-ZDUSSCGKSA-N 246.347 2.707 0 50 BFAA OCc1cc(C(F)(F)F)nc2ccccc12 71788837 BUDRHPWUUSCWLP-UHFFFAOYSA-N 227.185 2.746 0 50 BFAA CC[C@]1(CO)CCCN1C[C@H]1CC=CCC1 170089020 OOUXLKWQIKSLMV-UONOGXRCSA-N 223.360 2.580 0 50 BFAA CC(C)(C)c1cc(NC(=O)C2C[C@@H]3C[C@H]3C2)[nH]n1 228366044 NNDBFRFVCCWFEP-IUCAKERBSA-N 247.342 2.692 0 50 BFAA CC(=O)C[C@H](C)CCNC(=O)OC(C)(C)C 238833343 AQLQVPFCUIFAFL-SECBINFHSA-N 229.320 2.516 0 50 BFAA O[C@@H]1[C@H]2C=C[C@H]1[C@@H]1[C@H]2[C@H]2C[C@H]1c1ccccc12 247750648 SEETXPIYCYPGLK-ZNHNDWKLSA-N 224.303 2.680 0 50 BFAA CCOc1ncccc1-c1cnc(C)c(C)n1 426519211 HJHXAZSDGQAUNU-UHFFFAOYSA-N 229.283 2.554 0 50 BFAA CCn1nc(C)c(-c2ccc(N(C)C)nc2)c1C 426642881 KJYLWJFDZACGPA-UHFFFAOYSA-N 244.342 2.648 0 50 BFAA C=CC(=O)N1Cc2sccc2CC1(C)C 585124429 CRWDLXOIKJZEMA-UHFFFAOYSA-N 221.325 2.597 0 50 BFAA C=CC(=O)N[C@H](C)c1ncc(-c2ccccc2)o1 1335866625 IRYGUOINGDYLDY-SNVBAGLBSA-N 242.278 2.705 0 50 BFAA COc1ccccc1C(=O)c1ccccc1 71486 CSUUDNFYSFENAE-UHFFFAOYSA-N 212.248 2.926 0 50 BFAA in-vitro O=C(NCCc1ccc(F)cc1)c1cccs1 73811 BXAAUOBCGBLGIW-UHFFFAOYSA-N 249.310 2.860 0 50 BFAA COc1ccc([C@H](O)Cc2ccccc2)cc1 402302 LZGPSZXEKATVDE-OAHLLOKOSA-N 228.291 2.971 0 50 BFAA O=C(Nc1ccccc1)Nc1nccs1 1452379 RIZSJMAJCDKJAC-UHFFFAOYSA-N 219.269 2.787 0 50 BFAA Cn1c([C@H]2C[C@@H]2c2ccccc2)n[nH]c1=S 2536726 DHIIASXOBAVUMS-ZJUUUORDSA-N 231.324 2.749 0 50 BFAA O=C(O)CCCC(=O)c1cc(F)cc(Cl)c1 4242545 XXVMGCBBZNGJEH-UHFFFAOYSA-N 244.649 2.917 0 50 BFAA O=Cc1c(Cl)cnc(Cl)c1Cl 14983658 RZNIINCSHCFUNN-UHFFFAOYSA-N 210.447 2.854 0 50 BFAA in-vitro Cc1nc(Cl)nc(C)c1Br 26459778 MDZCNJHECVPINP-UHFFFAOYSA-N 221.485 2.509 0 50 BFAA in-vitro Cc1nn(C)c(O)c1C(=N)c1cccc(Cl)c1 29481319 VUFGIFKNJLPULJ-UHFFFAOYSA-N 249.701 2.504 0 50 BFAA CSc1cccnc1Br 35882142 QDUBYPZLIZYQNK-UHFFFAOYSA-N 204.092 2.566 0 50 BFAA in-vitro Cc1ccc(CCCNC(=O)C(C)C)cc1 72115741 BGJLGXVRQXKACA-UHFFFAOYSA-N 219.328 2.700 0 50 BFAA CCc1ccc(CN(C)CCc2ccncc2)o1 97294628 MEZAYQNLCJQZEN-UHFFFAOYSA-N 244.338 2.912 0 50 BFAA O=C(NC/C=C/c1ccccc1)C1CCC1 171993433 YMFMTUOHMXHXBD-VMPITWQZSA-N 215.296 2.616 0 50 BFAA CC[C@@H]1Nc2ccccc2[C@H]2OCC[C@H]12 238278803 GUSGKWWFAZQHTF-NTZNESFSSA-N 203.285 2.968 0 50 BFAA biogenic CC1=CCC[C@H](C)[C@H]1CNC[C@H](C)CCO 253369641 GAKCVXHXPKZVEE-XBFCOCLRSA-N 225.376 2.587 0 50 BFAA C[C@@H]1C[C@@H]2CCCC[C@H]2N1C[C@@H]1CCOC1 608500415 BISZNPCAEKWHTL-ZOBORPQBSA-N 223.360 2.676 0 50 BFAA Cc1ccc(OC2CN([C@@H]3CCSC3)C2)cc1 670449814 DJNREQJHUGALPO-GFCCVEGCSA-N 249.379 2.564 0 50 BFAA CCc1nocc1/C=C/c1ncncc1C 1616038449 MSTLUHVSCWILDZ-SNAWJCMRSA-N 215.256 2.506 0 50 BFAA Cc1nc2ccccc2cc1NC(=O)C1CC1 2325699931 MRCQPQIJGSRQKV-UHFFFAOYSA-N 226.279 2.892 0 50 BFAA CN(CC1CC1)C(=O)c1cccc2ccn(C)c12 2325798147 QIEKHKBMZNVZRZ-UHFFFAOYSA-N 242.322 2.660 0 50 BFAA O=C(O)c1ccccc1C(=O)c1ccccc1 157193 FGTYTUFKXYPTML-UHFFFAOYSA-N 226.231 2.616 0 50 BFAA biogenic O=C(O)c1cc(-c2ccc(Cl)cc2)no1 167403 COIATTMFFQMKKS-UHFFFAOYSA-N 223.615 2.693 0 50 BFAA CC[C@@H](C)NC(=O)COc1ccc(C)c(C)c1 318554 QOBFOIOBXGQEGF-GFCCVEGCSA-N 235.327 2.597 0 50 BFAA CC(C)c1ccccc1O[C@@H](C)C(=O)O 1459383 KJOWLMCSCDFVCH-VIFPVBQESA-N 208.257 2.662 0 50 BFAA in-vitro Cc1ccc(NC(=O)C2CCC2)cc1F 2872015 JQNJBEYSIJBQKH-UHFFFAOYSA-N 207.248 2.873 0 50 BFAA CCNC(=O)[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 4284430 VUNOFAIHSALQQH-QJPTWQEYSA-N 211.349 2.831 0 50 BFAA endogenous,in-man O=[S@@]1CCCS[C@@H]1c1ccccc1 4800547 JLNVOXAMHSCFHV-GWCFXTLKSA-N 212.339 2.571 0 50 BFAA Cc1cc(Cl)ccc1OCCN(C)C 4907526 OZEHINZPIFOFOC-UHFFFAOYSA-N 213.708 2.589 0 50 BFAA CC(C)C(=O)N[C@@H]1CCCc2ccccc21 7264093 INUZQBFAWXFNGW-CYBMUJFWSA-N 217.312 2.836 0 50 BFAA CCCSc1nnc(NC(=O)C(C)C)s1 7321694 VZJBSGQGWYVFAC-UHFFFAOYSA-N 245.373 2.635 0 50 BFAA CCc1cc(-c2n[nH]c(=S)n2C)cs1 8199724 JNRWERUYDGXLLT-UHFFFAOYSA-N 225.342 2.769 0 50 BFAA in-vitro CCOc1ccc([C@H](C)NC(=O)[C@H]2C[C@@H]2C)cc1 13329294 UPIVXKPPLYIXHK-MJVIPROJSA-N 247.338 2.919 0 50 BFAA Cc1ccc(CC(=O)NCC(C)C)cc1C 13678385 INMXOLAVOLTWKJ-UHFFFAOYSA-N 219.328 2.618 0 50 BFAA CN1CCN(Cc2ccc3ccccc3c2)CC1 19537357 BLILDGYKPCVLLV-UHFFFAOYSA-N 240.350 2.587 0 50 BFAA Cc1c(F)c(N)cc(Br)c1F 34214761 ANPBREPSXQLUIF-UHFFFAOYSA-N 222.032 2.618 0 50 BFAA COc1cccc(CC[C@@H]2CCCNC2)c1 41232920 AHNMQUYOKZLPFY-ZDUSSCGKSA-N 219.328 2.627 0 50 BFAA CCOC(=O)c1ncoc1C1CCCC1 43304241 ITICYQZDJWGNOK-UHFFFAOYSA-N 209.245 2.509 0 50 BFAA Cc1cc(C)c(Br)c(O)c1 82382356 FLGMCSGCDWVXMR-UHFFFAOYSA-N 201.063 2.772 0 50 BFAA Brc1cnccc1OCC1CC1 95495954 HDASBCPGRAIAKQ-UHFFFAOYSA-N 228.089 2.633 0 50 BFAA Cc1ccc(-c2cc3nc(C)cc(O)n3n2)cc1 100519123 BHMOTKKERMVQDL-UHFFFAOYSA-N 239.278 2.719 0 50 BFAA Fc1ccccc1C1=CSC2=NCCN12 102193961 YSFZEOANTIQYOK-UHFFFAOYSA-N 220.272 2.543 0 50 BFAA Cc1nccc(Nc2ccc3c(c2)COC3)n1 121633857 UUESQSJQEZOFDN-UHFFFAOYSA-N 227.267 2.559 0 50 BFAA C[C@@H]1CCC[C@H](NCc2c(Cl)cnn2C)C1 194621311 KTIISIGUYLKCRX-ZJUUUORDSA-N 241.766 2.742 0 50 BFAA C[C@H]1[C@H](C)CCC[C@H]1NC(=O)NCC1CC1 225442938 DJSSVJKLIDNHMN-JFGNBEQYSA-N 224.348 2.520 0 50 BFAA Cc1cc([C@H](C)NCCc2ccnn2C)c(C)o1 225558673 LRVVTFJHOJXLJN-NSHDSACASA-N 247.342 2.523 0 50 BFAA CC(C)(C)OC(=O)N1CCC[C@]12CCCC2=O 238093183 BHTLCXQCKBZQTH-ZDUSSCGKSA-N 239.315 2.509 0 50 BFAA Oc1cc(CN2CCCC2)ccc1Cl 258200847 VGBLEQHOIKUISB-UHFFFAOYSA-N 211.692 2.641 0 50 BFAA CC(=O)c1c(F)cc(F)cc1Br 263623657 JKHDUMYRDVELBF-UHFFFAOYSA-N 235.027 2.930 0 50 BFAA Cc1cccc(F)c1CNc1cccnn1 309627727 GFRYBDPFPBSNSU-UHFFFAOYSA-N 217.247 2.536 0 50 BFAA Cc1c(NC(=O)C23CCC(CC2)CC3)cnn1C 1337184475 ZFKQQLAGSFACTN-UHFFFAOYSA-N 247.342 2.637 0 50 BFAA C[C@H](NCC(C)(C)C[C@@H](C)O)c1ccsn1 1775989804 BAYASTNCOAIEQC-ZJUUUORDSA-N 242.388 2.591 0 50 BFAA CCN1CC[C@H](n2ccnc2-c2ccccc2)C1 1857726933 FUABHQURLUENLA-AWEZNQCLSA-N 241.338 2.817 0 50 BFAA C=CC(=O)NC1(c2ccccc2)CCCC1 1865972688 PHMKJOVMXWTKBB-UHFFFAOYSA-N 215.296 2.758 0 50 BFAA O=C(Oc1ccccc1)c1ccccc1O 38545 ZQBAKBUEJOMQEX-UHFFFAOYSA-N 214.220 2.611 0 50 BFAA endogenous,world COc1ccc2nc(C)sc2c1NC(C)=O 53299 VERZCVFSSKZWDJ-UHFFFAOYSA-N 236.296 2.572 0 50 BFAA c1ccc(Nc2nnc(-c3ccncc3)o2)cc1 174171 KOQHHVPFQWLIRA-UHFFFAOYSA-N 238.250 2.875 0 50 BFAA CC(C)N(C(=O)c1ccc(C(=O)O)cc1)C(C)C 208654 MUYTWWHRSSSWGD-UHFFFAOYSA-N 249.310 2.644 0 50 BFAA CSc1ccccc1NC(=O)[C@H]1CCCO1 1053915 BQDACGQLUTWKJM-SNVBAGLBSA-N 237.324 2.526 0 50 BFAA Nc1ccc(N2CCCC2)c(C(F)(F)F)c1 2529159 VAAASCUUHAHDMZ-UHFFFAOYSA-N 230.233 2.888 0 50 BFAA in-vitro Nc1nc(Cl)cc(Nc2ccccc2F)n1 12421660 BWIIQPLTAYAARA-UHFFFAOYSA-N 238.653 2.595 0 50 BFAA Cc1cc(C)c2cc(C(=O)O)cnc2c1 32099486 ALHSWTYNMZHUGZ-UHFFFAOYSA-N 201.225 2.550 0 50 BFAA in-vitro NC[C@@H]1C[C@@H]1c1ccc(Br)cc1 34893374 JDPOCUFHXPTLJW-WCBMZHEXSA-N 226.117 2.511 0 50 BFAA COCCCOc1ccc(Br)cc1 37506376 IBTRRSNXSNWLRO-UHFFFAOYSA-N 245.116 2.864 0 50 BFAA in-vitro Cc1ccsc1CN(C)Cc1[nH]cnc1C 65456996 VTZHMTZEGDPGBK-UHFFFAOYSA-N 235.356 2.720 0 50 BFAA CCC(CC)NC(=O)Nc1ccccc1 67742751 LFYODPPPSQMIJO-UHFFFAOYSA-N 206.289 2.997 0 50 BFAA COc1c(Br)cccc1[C@@H](C)O 116841420 VCOGPOSOMAJBNU-ZCFIWIBFSA-N 231.089 2.511 0 50 BFAA CCCCC[C@H]1[C@H](CC(=O)OC)CC[C@H]1O 239297302 DZWZEZICFCEJOT-SDDRHHMPSA-N 228.332 2.517 0 50 BFAA biogenic C=CC(=O)O[C@@H]1C[C@@H]2[C@H]3CC[C@H](C3)[C@H]2C1 242687329 UFMAVTXURXGNCN-YBXAARCKSA-N 206.285 2.540 0 50 BFAA CCC[C@@H]([C@H](O)c1ccccc1)N1CCCC1 248027511 MSYYSRJQHJQEQA-LSDHHAIUSA-N 233.355 2.985 0 50 BFAA in-vitro Cc1cnc(CN2CCC(CF)CC2)s1 295037995 MHBPPBBLQXMEFQ-UHFFFAOYSA-N 228.336 2.633 0 50 BFAA CC(=O)N1CCCC[C@H]1c1nc2ccccc2o1 336348204 NOWHEZXNEANJQI-LBPRGKRZSA-N 244.294 2.901 0 50 BFAA CNc1cccc(-c2cn(C(C)C)nn2)c1 630586463 OJVSLAXMVNXFJR-UHFFFAOYSA-N 216.288 2.568 0 50 BFAA c1ccc2nc(N3C[C@H]4CC[C@H](C4)C3)cnc2c1 670434355 OZRGPPRTNCMPRN-TXEJJXNPSA-N 239.322 2.866 0 50 BFAA CC1(CCC(=O)Nc2ccc(F)nc2)CC1 934901167 LJBZAXKIEVRIAK-UHFFFAOYSA-N 222.263 2.740 0 50 BFAA C[C@@H]1CCCN(c2ncnc3c2SCCC3)C1 1150819524 ZRKGTUOXEODHGU-SNVBAGLBSA-N 249.383 2.751 0 50 BFAA C[C@H]1CCCN(C2CSCCSC2)CC1 1506415057 UFWWXLYVJPLMRX-NSHDSACASA-N 245.457 2.957 0 50 BFAA Cc1cc(NC(=O)CSc2ccccc2)no1 81358 VLUWXAXUFWOUPM-UHFFFAOYSA-N 248.307 2.714 0 50 BFAA Oc1ccc([C@@H]2COc3cc(O)ccc3C2)cc1 388660 ADFCQWZHKCXPAJ-LBPRGKRZSA-N 242.274 2.817 0 50 BFAA endogenous,in-vitro Cc1nn(Cc2cccc(Cl)c2)c(C)c1N 2537019 DESIOLVYFNSZJY-UHFFFAOYSA-N 235.718 2.784 0 50 BFAA OCc1cc(Cl)ccc1C(F)(F)F 2574968 LUMJBVGPYBBQAP-UHFFFAOYSA-N 210.582 2.851 0 50 BFAA in-vitro CC1CCN(c2ccc(C(=O)O)cc2)CC1 2598911 ZIFMYTNXBNDWLU-UHFFFAOYSA-N 219.284 2.621 0 50 BFAA CCCCC(=O)Nc1ccc2c(c1)OCO2 4652586 HFDVEXUOPOQEQF-UHFFFAOYSA-N 221.256 2.544 0 50 BFAA CCCCn1sc2ccccc2c1=O 33978730 LUYIHWDYPAZCNN-UHFFFAOYSA-N 207.298 2.863 0 50 BFAA in-vitro Cc1noc2cc(Br)ccc12 65731324 LSPSVCJKVFCWHE-UHFFFAOYSA-N 212.046 2.899 0 50 BFAA in-vitro CCn1cc(Br)c(C(F)(F)F)n1 72209425 DPIASTGKYPRSIE-UHFFFAOYSA-N 243.026 2.684 0 50 BFAA C/C=C(/CC)C(=O)NCCOc1ccccc1 189608637 XPNQNINDXKYCIM-BASWHVEKSA-N 233.311 2.538 0 50 BFAA C[C@H]1CCCC[C@H]1N(C)C(=O)[C@H]1C[C@H]1C 253356193 DRZPSBQCDQSQNS-WHOHXGKFSA-N 209.333 2.680 0 50 BFAA Cc1ccc2oc(NC[C@@H]3CCCN3C)nc2c1 265171513 YTBDYAUOKWQFTP-NSHDSACASA-N 245.326 2.642 0 50 BFAA CCc1nc(C)cc(-c2cccc3ccnn23)n1 426510200 UVYDOSUTSAVLKB-UHFFFAOYSA-N 238.294 2.662 0 50 BFAA CCCn1cc(-c2ncnn2C(C)(C)C)c(C)n1 670450662 GFHRBVADFRKQCE-UHFFFAOYSA-N 247.346 2.615 0 50 BFAA CN(CC[C@H]1CC1(F)F)CC1(CO)CCCC1 828686735 DQYSIUDIMYAWHN-NSHDSACASA-N 247.329 2.516 0 50 BFAA Cc1sc2nc3n(c(=O)c2c1C)CCCCC3 126500 SPFVRIGOQYHRIH-UHFFFAOYSA-N 248.351 2.801 0 50 BFAA CC(=O)c1ccc(NC(=O)C2CCC2)cc1 447205 NAOHHWBLDUSUQE-UHFFFAOYSA-N 217.268 2.628 0 50 BFAA CCOC(=O)c1sc(C)nc1C(F)(F)F 1400156 FKNJDCSKTSRSSW-UHFFFAOYSA-N 239.218 2.647 0 50 BFAA in-vitro Cc1ccccc1-n1nnnc1-c1ccccc1 2471209 CHNWKRXCWLNGCT-UHFFFAOYSA-N 236.278 2.638 0 50 BFAA C[C@@H]1C[C@@H]1C(=O)Nc1nc2c(s1)CCCC2 3294715 VJWYILXDIGYAIS-SFYZADRCSA-N 236.340 2.616 0 50 BFAA COc1cccc([C@@H](N)c2ccccc2)c1 13495653 LIDXQEPVXSQPEE-AWEZNQCLSA-N 213.280 2.743 0 50 BFAA O=C(O)c1ccncc1-c1ccc(F)cc1 47204933 SAVPAPRZYFBSII-UHFFFAOYSA-N 217.199 2.586 0 50 BFAA in-vitro c1ccc(-c2cnn3c4c(cnc23)CCC4)cc1 67630812 SPQACWHCVLANPL-UHFFFAOYSA-N 235.290 2.885 0 50 BFAA Oc1ccc(-c2cccc(-n3cnnc3)c2)cc1 67675255 RUXQWQZNNOTFEI-UHFFFAOYSA-N 237.262 2.640 0 50 BFAA CC(C)(C)SCCNC(=O)[C@@H]1CC1(C)C 122832549 PLFAYZJDPQHAEV-VIFPVBQESA-N 229.389 2.680 0 50 BFAA Fc1ccc2[nH]cc([C@@H]3CCOC3)c2c1 255188121 IQACPEPZMKGXBU-MRVPVSSYSA-N 205.232 2.811 0 50 BFAA CN(Cc1ccoc1)C(=O)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21 426435471 YXNXDAMNPKHQDN-SIMOQEFBSA-N 245.322 2.530 0 50 BFAA C[C@H]1CC[C@@H](n2cc(-c3ccccn3)nn2)C1 585124324 YUGMKHHONNQGRX-WDEREUQCSA-N 228.299 2.701 0 50 BFAA Cc1cc2c[nH]nc2cc1[C@@H]1CCCN[C@@H]1C 757213582 PSJDAXJHOMTOHN-ZYHUDNBSSA-N 229.327 2.727 0 50 BFAA CCC[C@H](CC)[S@@](=O)CCOC1CCC1 1875279232 HEXMQVGEPCMKAW-WFASDCNBSA-N 232.389 2.883 0 50 BFAA C[C@@H](N[C@@H]1C[C@H]1C)c1n[nH]c2ccccc12 2325796536 XBCLBAXIMYLJHP-KBVBSXBZSA-N 215.300 2.622 0 50 BFAA CC(C)CC[P@@](=O)(O)c1ccccc1 242958 GMPNQRWOLIZKFX-UHFFFAOYSA-N 212.229 2.628 0 50 BFAA Cc1ccc(C)n1[C@@H](Cc1ccccc1)C(=O)O 378481 CIUPYBFUPLMRLH-AWEZNQCLSA-N 243.306 2.973 0 50 BFAA COc1cccc(NC(=O)OC(C)C)c1 395369 RYNZNNRQNXTQDO-UHFFFAOYSA-N 209.245 2.652 0 50 BFAA C[C@@H](NC(=S)NC1CCCC1)c1ccncc1 13933162 SCXWVJIMZWQMHJ-SNVBAGLBSA-N 249.383 2.549 0 50 BFAA C=CCOC(=O)OC1=CC(=O)[C@@H](C)CCC1 43198609 AMQMIGYDWJAPTE-VIFPVBQESA-N 224.256 2.599 0 50 BFAA Nc1ccc(Br)c(F)c1Cl 67794662 LWXPESLUKLZKEK-UHFFFAOYSA-N 224.460 2.824 0 50 BFAA CC(C)=CCN1CCC[C@H](Cn2ccnc2C)C1 72174213 KRYDTXZTNFRXDF-HNNXBMFYSA-N 247.386 2.870 0 50 BFAA O=C(O)c1ccc(Cl)c2cnccc12 82769946 QVXXRSGAKJCASV-UHFFFAOYSA-N 207.616 2.586 0 50 BFAA NC[C@@H](c1ccccc1)N1CCCCCC1 95496178 NRZLUHQRMXSAGX-AWEZNQCLSA-N 218.344 2.562 0 50 BFAA CC1(C)CCC[C@@H]1NC(=O)Nc1nccs1 176404855 IDTROQMRPZTNJH-QMMMGPOBSA-N 239.344 2.843 0 50 BFAA Cc1cc(C(=O)O[C@@H](C)CC(C)(C)O)c(C)o1 239351858 AACLQESVAKBZDS-VIFPVBQESA-N 240.299 2.603 0 50 BFAA Cc1cc(C)nc(NCc2sc(C)nc2C)n1 270341854 ZTLVIWHMWADBBC-UHFFFAOYSA-N 248.355 2.779 0 50 BFAA CC(C)(CCNC(=O)c1ccco1)C(F)(F)F 408515941 XKTBBQZKACIUJP-UHFFFAOYSA-N 249.232 2.988 0 50 BFAA C=CC(=O)NC[C@@H]1C[C@]12CCCc1ccccc12 888102154 IWRZTNVTIBVOAG-XJKSGUPXSA-N 241.334 2.583 0 50 BFAA CC[C@@H]1C=CCN1C(=O)c1ccc(C(C)=O)s1 952969980 KUZBGNVJJAEKHF-SNVBAGLBSA-N 249.335 2.741 0 50 BFAA CC(C)C(=O)C(=O)N[C@H](C)C1CCCCCC1 2325752150 MNVFGENUEDBEEA-LLVKDONJSA-N 239.359 2.687 0 50 BFAA CN1c2ccccc2N(C)C1c1cccn1C 289252 XMUDXGXXGMMPSV-UHFFFAOYSA-N 227.311 2.610 0 50 BFAA Cc1cc(C)cc(NC(=S)NC2CC2)c1 306066 QFJXNOOXOZQMLB-UHFFFAOYSA-N 220.341 2.752 0 50 BFAA COCc1c(C)cc(C)c(COC)c1C 393526 NJMSEUIXUBOMQN-UHFFFAOYSA-N 208.301 2.905 0 50 BFAA O=C(NCc1ccc(F)cc1)C1CCCC1 474078 NJYKLUDTWHLWSJ-UHFFFAOYSA-N 221.275 2.632 0 50 BFAA OCc1c(-c2ccccc2)nc2sccn12 1104926 AGNXXFZBPOCOPO-UHFFFAOYSA-N 230.292 2.555 0 50 BFAA biogenic CC(=O)Oc1ccc2c(c1C)CCCC2 4699460 HQBXAPAPGREKBF-UHFFFAOYSA-N 204.269 2.799 0 50 BFAA Cc1cccc(CC(=O)Nc2cccnc2)c1 6714735 AHPALPGTXJXWGY-UHFFFAOYSA-N 226.279 2.571 0 50 BFAA C[C@H]1CN(Cc2ccccc2Cl)C[C@@H](C)O1 12408812 WIZYVZWLXIGLSO-PHIMTYICSA-N 239.746 2.949 0 50 BFAA CC(=O)c1cc2c(C)c(C)c(=O)oc2c(C)c1O 12902149 HEHXCMGRMMXWKZ-UHFFFAOYSA-N 246.262 2.626 0 50 BFAA biogenic Cc1ccc(Br)c2cnn(C)c12 36533430 DVFVSUZMEVFBPV-UHFFFAOYSA-N 225.089 2.644 0 50 BFAA in-vitro CC(C)(C)OC(=O)N1Cc2ccc(C=O)cc2C1 66054680 JKJAWMQWNCXRLC-UHFFFAOYSA-N 247.294 2.750 0 50 BFAA CC(C)Cc1n[nH]c(-c2n[nH]c3ccccc23)n1 67871633 ISFCLNNFBPGXRB-UHFFFAOYSA-N 241.298 2.547 0 50 BFAA Cc1csc(CN(C)Cc2cncs2)n1 93336239 RJMYVGOQLGMYAZ-UHFFFAOYSA-N 239.369 2.540 0 50 BFAA Cc1cnc(N[C@@H](C)c2ncccc2C)nc1 95376929 WGQKVSUTPYOVIL-NSHDSACASA-N 228.299 2.662 0 50 BFAA COc1c(C)cc(C=O)cc1C(F)(F)F 96029408 UJHKXHXOLJJFDF-UHFFFAOYSA-N 218.174 2.835 0 50 BFAA CCOC(=O)[C@@H]1[C@@H]2CCc3ccccc3[C@H]21 116294379 XDYQDLVZJKAJBM-JHJVBQTASA-N 216.280 2.526 0 50 BFAA OCCCCc1c[nH]c2ccc(F)cc12 144445605 GTYYSTKKLLXTQW-UHFFFAOYSA-N 207.248 2.622 0 50 BFAA CONC(=O)N(Cc1ccc(C)s1)C(C)C 167067301 KROVSMSLYNBUPV-UHFFFAOYSA-N 242.344 2.538 0 50 BFAA O=Cc1ccc(-c2cc(C=O)cc(C=O)c2)cc1 220137902 GWMVJHHSKAJGSW-UHFFFAOYSA-N 238.242 2.791 0 50 BFAA COc1ncc(Cl)cc1C(F)(F)F 238412822 ZCGCNGDYDGKBFK-UHFFFAOYSA-N 211.570 2.762 0 50 BFAA FC(F)(F)Oc1cnccc1Br 238544251 RNAOEZJGLQMHLI-UHFFFAOYSA-N 241.994 2.743 0 50 BFAA COc1nc(C(F)(F)F)ccc1OC(F)F 309183405 DYOWXGQFFNZXAQ-UHFFFAOYSA-N 243.131 2.710 0 50 BFAA CC(C)(C)C(C)(C)C(=O)NCCc1cccnc1 341522778 FFBLLWJIDOJZAS-UHFFFAOYSA-N 248.370 2.813 0 50 BFAA C=CC(=O)N[C@@H]1C[C@@H](C)Cc2cc(OC)ccc21 1776000077 VIUUKYQNZANYFI-IINYFYTJSA-N 245.322 2.621 0 50 BFAA Nc1cccc(-c2cn3ccccc3n2)c1 72851 NUVDPCZHQLYLPU-UHFFFAOYSA-N 209.252 2.584 0 50 BFAA in-vitro Cc1cc(NC(=O)Oc2ccccc2)no1 214595 AOXNEYUOJSRBSQ-UHFFFAOYSA-N 218.212 2.594 0 50 BFAA O=C(CN1CCCCC1)c1c[nH]c2ccccc12 217289 CDRQAUBCVZVLOJ-UHFFFAOYSA-N 242.322 2.837 0 50 BFAA O=C1CSC(=O)N1Cc1ccc(Cl)cc1 1115542 SEARMTYHHPFOCL-UHFFFAOYSA-N 241.699 2.535 0 50 BFAA c1ccc(COCCc2ccccn2)cc1 1666107 JUKWUVUJUABESO-UHFFFAOYSA-N 213.280 2.841 0 50 BFAA O=c1[nH]c2ccccc2n1Cc1ccc(F)cc1 2492454 SOGFCHRGTJVMRX-UHFFFAOYSA-N 242.253 2.517 0 50 BFAA CCCCNC(=S)Nc1ccccc1 5315274 MXLMUGKRDLWVJZ-UHFFFAOYSA-N 208.330 2.773 0 50 BFAA Cc1nc(C(F)(F)F)nc(-c2cc[nH]n2)c1C 19771242 PTVXDBJVLGFXTJ-UHFFFAOYSA-N 242.204 2.502 0 50 BFAA OCCc1cc(-c2ccc(Cl)cc2)no1 27521368 XVWNLZSTGZYSEM-UHFFFAOYSA-N 223.659 2.530 0 50 BFAA in-vitro Nc1ncc(Br)c2ccccc12 29753879 YWOLBIUYICZCLK-UHFFFAOYSA-N 223.073 2.580 0 50 BFAA in-vitro COC(=O)c1cc2cc[nH]c2cc1Cl 34415538 IGOUVTSYCXABHI-UHFFFAOYSA-N 209.632 2.608 0 50 BFAA in-vitro NC(=O)C1(c2cccc(Cl)c2)CCCC1 42950315 BZUPPVHGWMRFOU-UHFFFAOYSA-N 223.703 2.637 0 50 BFAA in-vitro COC(=O)c1ccc(OC)c(C(F)(F)F)c1 44200005 FAOOKWQMNNMWGW-UHFFFAOYSA-N 234.173 2.501 0 50 BFAA Nc1ccc(Br)cc1N1CCCC1 83730511 SZPVJRQTPASIJP-UHFFFAOYSA-N 241.132 2.632 0 50 BFAA O=C(c1ccccc1)c1ccc(O)c(F)c1F 129733834 RHHVGQWQEYSUAM-UHFFFAOYSA-N 234.201 2.901 0 50 BFAA O=Cc1ccc(F)c(-c2ccncc2F)c1 157499683 HZDXODOLTNYGNT-UHFFFAOYSA-N 219.190 2.839 0 50 BFAA Cc1cnc(Br)c(OC(F)F)c1 263623150 FDEJGYWZKUXPGX-UHFFFAOYSA-N 238.031 2.754 0 50 BFAA CN(C)Cc1ccc(-c2cccnc2O)cc1 426368459 ZPDIWPWBOMXRJD-UHFFFAOYSA-N 228.295 2.516 0 50 BFAA CCCc1nnc(-c2cccnc2OCC)s1 426538082 KIJKCAYEULIEAT-UHFFFAOYSA-N 249.339 2.951 0 50 BFAA Cc1cc2c[nH]nc2cc1[C@@H]1CCCCN1 757216101 XPQCXDXSNZVDAA-LBPRGKRZSA-N 215.300 2.686 0 50 BFAA CCSC[C@H](C)NCc1nc(CC)cs1 823421472 MOMOUHHQJGNTQH-VIFPVBQESA-N 244.429 2.937 0 50 BFAA CCc1ccccc1CNc1nc(C)cc(N)n1 892645790 PKPQQCAFXYECMX-UHFFFAOYSA-N 242.326 2.542 0 50 BFAA Cc1cc(-c2ccc3c(c2)CC[C@@H](N)C3)ccn1 935617085 IHXWOTYIVWZEKB-MRXNPFEDSA-N 238.334 2.873 0 50 BFAA c1coc(-c2nccn2CCc2cscn2)c1 1875246391 FFHXBCKWALKJPH-UHFFFAOYSA-N 245.307 2.842 0 50 BFAA C[C@@H](c1cc2ccccc2s1)N(O)C(N)=O 850 MWLSOWXNZPKENC-ZETCQYMHSA-N 236.296 2.732 0 50 BFAA biogenic,fda c1ccc(CNc2cccc3nonc23)cc1 194991 OXSNVBUGHVTJDV-UHFFFAOYSA-N 225.251 2.835 0 50 BFAA CCCN1CCC[C@@H](c2cccc(O)c2)C1 402947 HTSNFXAICLXZMA-CYBMUJFWSA-N 219.328 2.982 0 50 BFAA biogenic,in-man O=C(O)c1ccccc1SC(F)F 2382191 JJFFRJTXRATUEE-UHFFFAOYSA-N 204.197 2.700 0 50 BFAA in-vitro Nc1ccccc1-c1cccc(C(=O)O)c1 2522307 KAOICWOHZSZVKE-UHFFFAOYSA-N 213.236 2.634 0 50 BFAA C[C@H](N)c1ccc(Br)s1 3705654 NYBMETYMNLJOEL-BYPYZUCNSA-N 206.108 2.530 0 50 BFAA in-vitro CCCCC[C@@H]1C(=O)CC[C@H]1CC(=O)O 3978810 PQEYTAGBXNEUQL-UWVGGRQHSA-N 212.289 2.637 0 50 BFAA endogenous,in-man C[C@@H](CCN1CCC[C@H](O)C1)c1ccccc1 4021876 ZFEWIUIABNUQIW-ZFWWWQNUSA-N 233.355 2.637 0 50 BFAA COC(=O)[C@H]1[C@H](C=C(Cl)Cl)C1(C)C 4261950 QJOOIMSFFIUFKX-CAHLUQPWSA-N 223.099 2.751 0 50 BFAA in-vitro O=c1oc2ccccc2n1Cc1cccc(F)c1 6759080 ZDNHFIQHGYWQLP-UHFFFAOYSA-N 243.237 2.782 0 50 BFAA CC1CCN(C(=O)Cc2ccccc2F)CC1 16580128 AFPQROCRBVYODS-UHFFFAOYSA-N 235.302 2.627 0 50 BFAA CC(C)Cc1ccc(CN2CCC[C@@H](N)C2)cc1 19735491 HVBYHCHNEWLEBK-MRXNPFEDSA-N 246.398 2.808 0 50 BFAA C[C@H](CCN1CCC[C@@H](O)C1)c1ccccc1 23281564 ZFEWIUIABNUQIW-UKRRQHHQSA-N 233.355 2.637 0 50 BFAA Cc1cc(C)n(Cc2cc(N)ccc2Cl)n1 30769255 UNBSETUMLZOAOG-UHFFFAOYSA-N 235.718 2.784 0 50 BFAA Nc1nc(C(F)(F)F)c(Br)s1 34723376 DSEAYBLLHONPRM-UHFFFAOYSA-N 247.039 2.507 0 50 BFAA in-vitro COc1cc(C(C)(C)C)ccc1C(=O)O 38339308 PUENGTBOCOAFKL-UHFFFAOYSA-N 208.257 2.691 0 50 BFAA in-vitro O=C(O)c1ccc(-c2ccccc2C(=O)O)cc1 39422775 WKSIHEZXQNJQCB-UHFFFAOYSA-N 242.230 2.750 0 50 BFAA in-vitro CSc1ccc(C(=O)[C@@H]2CCCNC2)cc1 67954421 SWWNHQLLFMIIRX-LLVKDONJSA-N 235.352 2.591 0 50 BFAA CC(C)[C@H](C(=O)N(C)C)c1ccccc1 71774235 BDYVUSBLLCWPKJ-LBPRGKRZSA-N 205.301 2.514 0 50 BFAA Cc1nc(CSCC2CC2)n(C(C)(C)C)n1 96136730 PFSOKOTXUFIJPZ-UHFFFAOYSA-N 239.388 2.985 0 50 BFAA COC(=O)[C@H](C)c1cccc(Br)c1 115309096 IQJQUAGEAURVAU-SSDOTTSWSA-N 243.100 2.726 0 50 BFAA c1csc(-c2nccn2C[C@@H]2CCCO2)c1 129208337 JRNSIOGFWLCXNK-JTQLQIEISA-N 234.324 2.791 0 50 BFAA O=C(/C=C/c1cccs1)Nc1ccc(F)nc1 135026681 NPCORXVCCDCWKR-GQCTYLIASA-N 248.282 2.934 0 50 BFAA CCCCN1CCc2ccc(C(=O)O)cc2C1 144707007 VOGWFRQLYBYKAD-UHFFFAOYSA-N 233.311 2.543 0 50 BFAA C[C@@]1(C(=O)O)CCCc2c(F)cccc21 220064057 DFHBRMBAMWSJJO-GFCCVEGCSA-N 208.232 2.504 0 50 BFAA CC(=O)N1N=CC[C@@H]1[C@@H]1[C@H](C)C=C(C)C[C@H]1C 239309726 HUMGQYPYCXKRLK-HBJVGIJOSA-N 234.343 2.831 0 50 BFAA OCc1coc(-c2cccc(C(F)(F)F)c2)n1 258204847 UDELDJIQMWDZKY-UHFFFAOYSA-N 243.184 2.853 0 50 BFAA C[C@@H]1C[C@@H](C)[C@@H](c2nc(-c3ccccn3)no2)O1 283745275 FDBAOMMEEMTNKO-KKZNHRDASA-N 245.282 2.618 0 50 BFAA ClC1(c2csc(-c3cnccn3)n2)CC1 408524824 ZPSJSJMQMVOGKL-UHFFFAOYSA-N 237.715 2.828 0 50 BFAA Cc1cc2c[nH]nc2cc1[C@H]1CNC[C@@H](C)C1 757207530 BVNSLHQPBIIHSX-GXSJLCMTSA-N 229.327 2.584 0 50 BFAA COc1ccc([C@H]2NCCc3sccc32)cc1 107357 YZMKEDMYYJQGRD-CQSZACIVSA-N 245.347 2.992 0 50 BFAA O=C(O)/C=C/c1cccc(OC(F)(F)F)c1 153626 CLKZZEYGXRWYNI-SNAWJCMRSA-N 232.157 2.683 0 50 BFAA C/C=C(\C)CN1CCN(c2ccccc2)CC1 277640 OTIKVFFRQRTXKP-LZWSPWQCSA-N 230.355 2.775 0 50 BFAA Cc1nccn1CCOc1ccc(Cl)cc1 462045 SNVRUWNTTJNUOM-UHFFFAOYSA-N 236.702 2.924 0 50 BFAA CC[C@H](C)c1ccc(OCC(=O)O)cc1 568658 AMFQZVLREQJRQU-VIFPVBQESA-N 208.257 2.664 0 50 BFAA in-vitro C[C@H](NC(=O)c1ccccc1O)c1ccccc1 859916 XCKFSPDEIVZBOH-NSHDSACASA-N 241.290 2.883 0 50 BFAA NCCc1c(-c2cccnc2)[nH]c2ccccc12 1683339 SZLBNNSKJUHQMT-UHFFFAOYSA-N 237.306 2.731 0 50 BFAA CCOC(=O)[C@H](CC)n1nc(C)c(Cl)c1C 2732152 RDBKXUMHEHBBHD-VIFPVBQESA-N 244.722 2.668 0 50 BFAA O=C(Nc1nccs1)[C@@H]1C[C@@H]1c1ccccc1 2831411 ZOOMNALRJFPRHO-GHMZBOCLSA-N 244.319 2.885 0 50 BFAA O=C(Nc1ccccc1F)OCC(F)(F)F 3086115 SJGCLODTAXBKGC-UHFFFAOYSA-N 237.152 2.937 0 50 BFAA O=C1N[C@H](c2ccc(F)cc2)Nc2ccccc21 5338548 TVPPBWCYGUMJAW-CYBMUJFWSA-N 242.253 2.680 0 50 BFAA CCc1ccccc1-n1c(S)nnc1CC 6395278 DEAXYGXNQNRNDG-UHFFFAOYSA-N 233.340 2.681 0 50 BFAA CCOC(=O)[C@H](CC)Oc1ccc(F)cc1 6596281 RUZIVYOPFLJDGQ-NSHDSACASA-N 226.247 2.546 0 50 BFAA O=Cc1ccc(-c2ccc3c(c2)OCO3)cc1 8729752 LPIFQHGQMIRTBE-UHFFFAOYSA-N 226.231 2.895 0 50 BFAA CC(C)NC(=O)c1ccc(OC(C)C)cc1 14038497 QBAMFMWYHKHRLV-UHFFFAOYSA-N 221.300 2.612 0 50 BFAA COC(=O)c1cncc(-c2ccccc2C)c1 16946687 NTPAMELXHNNWIA-UHFFFAOYSA-N 227.263 2.844 0 50 BFAA Cc1ccc(Oc2ccc(CCN)cn2)cc1 44396895 BHZYNGVMABNOEM-UHFFFAOYSA-N 228.295 2.684 0 50 BFAA Cc1ccc(C)c(O[C@@H](C)c2nc(C)n[nH]2)c1 65407814 LSUQJOSAUUTQHN-JTQLQIEISA-N 231.299 2.870 0 50 BFAA NC[C@H]1Cc2cc(-c3cccs3)cc(F)c2O1 67676236 NBVGSYBYCGDFLH-SNVBAGLBSA-N 249.310 2.816 0 50 BFAA CC(C)(C)OC(=O)n1ccc2ccncc21 85224142 VDJQDKIUIIFWJD-UHFFFAOYSA-N 218.256 2.820 0 50 BFAA in-vitro NC(=O)CCCc1cc(Cl)sc1Cl 86987770 PUESDYQRGIMLNK-UHFFFAOYSA-N 238.139 2.863 0 50 BFAA Brc1cccc2c1CCCO2 90550353 LHCOEOUYRDDIJP-UHFFFAOYSA-N 213.074 2.774 0 50 BFAA in-vitro CCC(CC)(CC)NCCCCNC(=O)OC 96027380 KDLRYBGOTOFEQR-UHFFFAOYSA-N 244.379 2.681 0 50 BFAA COc1ccc2c(c1)[C@@H]1[C@@H]3[C@H]4[C@@H]2[C@H]2[C@@H]1[C@@H]2[C@@H]34 257346643 XLLZTEORNJNOQZ-ZVHYSXKBSA-N 210.276 2.628 0 50 BFAA O=C(O)c1cc(-c2ccc(Cl)c(F)c2)[nH]n1 258394460 XGJQVEFUIWSAPD-UHFFFAOYSA-N 240.621 2.567 0 50 BFAA CC(=O)[C@H]1COc2cc(C)c(Cl)cc2C1 675063471 FVHDXPLTJWRRMU-SNVBAGLBSA-N 224.687 2.789 0 50 BFAA C=CC(=O)N1C[C@@H](C(C)C)c2ccccc21 952884764 NJRMWDVYVQEVNI-LBPRGKRZSA-N 215.296 2.959 0 50 BFAA COc1cnc(-c2ccc([C@H](C)OC)cc2)nc1 1506414310 OHAIAWARJNJKLG-JTQLQIEISA-N 244.294 2.860 0 50 BFAA COc1cc2c(cc1-c1ncccc1C)OCO2 2356137834 BIQLLFGMUDKJQS-UHFFFAOYSA-N 243.262 2.794 0 50 BFAA C[C@@H]1S[C@H](c2cccc(Cl)c2)NC1=O 208320 DSDPWHIBVHAATJ-QUBYGPBYSA-N 227.716 2.590 0 50 BFAA COc1ccc(Nc2cc(C)ncn2)cc1 265271 BKKNPEMVSMAJHB-UHFFFAOYSA-N 215.256 2.537 0 50 BFAA in-vitro CC(=O)Nc1c(Cl)cc(N)cc1Cl 394018 GHLHYKAEJJVFCI-UHFFFAOYSA-N 219.071 2.534 0 50 BFAA in-vitro CC(C)CNC(=O)Nc1ccc(F)cc1F 399157 IXJFWJMIKHXNQE-UHFFFAOYSA-N 228.242 2.742 0 50 BFAA O=C(Nc1cccc(F)c1)C1CCCC1 1016966 GMJHXPYPTZFOAN-UHFFFAOYSA-N 207.248 2.954 0 50 BFAA c1ccc(Cc2n[nH]c(Cc3ccccc3)n2)cc1 1604580 YXCFPGIJSWQXQZ-UHFFFAOYSA-N 249.317 2.986 0 50 BFAA Cc1ccc(C(=O)c2ccccc2C(=O)O)cc1 3847474 ICQOWIXIHDDXDI-UHFFFAOYSA-N 240.258 2.924 0 50 BFAA biogenic O=C(O)c1cc2c(Cl)cc(F)cc2[nH]1 4237917 RDHOUUUIUOTJBC-UHFFFAOYSA-N 213.595 2.659 0 50 BFAA in-vitro CCCCn1c(C)nc2cc(C(=O)O)ccc21 34961554 BELVDXFGPYHCJE-UHFFFAOYSA-N 232.283 2.843 0 50 BFAA CCNc1snc2c(OC)cc(OC)cc12 71773187 WAMROHUUSDUHBD-UHFFFAOYSA-N 238.312 2.745 0 50 BFAA O=C(O)c1cccc2nc(Cl)sc12 84311553 MMDQFYIMUCGXIW-UHFFFAOYSA-N 213.645 2.648 0 50 BFAA in-vitro COc1ccccc1CN[C@H]1CS[C@H](C)C1 86934090 XNTMAEXMJSFMRU-ZYHUDNBSSA-N 237.368 2.679 0 50 BFAA Cc1ccc([N+]2=C(N)c3ccccc3C2)cc1 100295314 BQWGRIRFMISXDH-UHFFFAOYSA-O 223.299 2.558 0 50 BFAA Cc1nc(-c2cccc(OCC3CC3)c2)no1 124041710 CQQQSAKMIJRXTC-UHFFFAOYSA-N 230.267 2.834 0 50 BFAA C[C@H]1OCC[C@@H]1Nc1cccc2ccn(C)c12 188778824 DNJJKGRELOJJTQ-PWSUYJOCSA-N 230.311 2.768 0 50 BFAA COc1cc(Br)cc2c1NCCC2 204322825 PMHIPQXVMWBWQO-UHFFFAOYSA-N 242.116 2.816 0 50 BFAA CC(=O)OSC(C)(C)[C@@H]1CC[C@@H](C)CC1=O 238791368 HGSQLXVPGSWSBL-PSASIEDQSA-N 244.356 2.982 0 50 BFAA Cc1cnc([C@@H](C)N2CCC[C@@](C)(F)C2)o1 336275369 IZUBONNENREMDT-ZYHUDNBSSA-N 226.295 2.868 0 50 BFAA Cc1ccc([S@](=O)O)cc1C(F)(F)F 675060028 QMGLBRUQXFITAX-UHFFFAOYSA-N 224.203 2.594 0 50 BFAA CC[C@@H](O)c1nccn1CC=C(Cl)Cl 844236508 JSWOCROBVRGRCY-SSDOTTSWSA-N 235.114 2.646 0 50 BFAA COc1c(C)cnc(CN2C[C@@H]3C[C@]3(C)C2)c1C 1775978549 ABEOMNXBMCMFFX-SWLSCSKDSA-N 246.354 2.549 0 50 BFAA C=CC(=O)Nc1ccc(OC(F)F)cc1C 1776006960 BEHJJKFKGNJOGP-UHFFFAOYSA-N 227.210 2.721 0 50 BFAA CC(=O)N1N=C(Nc2ccccc2)SC1(C)C 40743 CVSMELMRDXKULK-UHFFFAOYSA-N 249.339 2.701 0 50 BFAA Brc1ccc(-c2csnn2)cc1 158839 HGWOTVRPRHVJQK-UHFFFAOYSA-N 241.113 2.968 0 50 BFAA in-vitro Cc1c(NC(=O)C(C)(C)C)cccc1C(=O)O 434896 XKGHRGHYWNJOPA-UHFFFAOYSA-N 235.283 2.678 0 50 BFAA CCCNC(=O)Nc1ccccc1OCC 1741019 ZFJIHLDDGOHQNP-UHFFFAOYSA-N 222.288 2.617 0 50 BFAA OCc1ccc(OCc2ccccc2)cc1 2504423 OEBIVOHKFYSBPE-UHFFFAOYSA-N 214.264 2.758 0 50 BFAA biogenic,in-vitro CCn1c(-c2ccoc2C)n[nH]c1=S 5686876 RGBAHSPETWCIOA-UHFFFAOYSA-N 209.274 2.529 0 50 BFAA in-vitro O[C@H]1CCCC[C@H]1n1cnc2ccccc21 12323771 VUBLCPRAFDAFRO-OLZOCXBDSA-N 216.284 2.512 0 50 BFAA CCOC(=O)COc1cc(C)c(C)cc1C 16682821 CLTXHYCQMMRLFG-UHFFFAOYSA-N 222.284 2.554 0 50 BFAA O=C(NC1CCCCC1)c1cc(Cl)ccn1 27392822 NXWNXOZYZLEOGK-UHFFFAOYSA-N 238.718 2.798 0 50 BFAA in-vitro Cc1nc2ccc(Br)cc2o1 34116596 ZCGXHOLCXPKKBO-UHFFFAOYSA-N 212.046 2.899 0 50 BFAA in-vitro Cc1c(Br)ccc2c(=O)cc[nH]c12 36075580 ZAVPTOAEDIJTJV-UHFFFAOYSA-N 238.084 2.599 0 50 BFAA in-vitro Cc1nn(C)c2c(Br)cccc12 36533443 ITJITARZCHQKQK-UHFFFAOYSA-N 225.089 2.644 0 50 BFAA in-vitro c1ccc2c(c1)oc1c(NC3CC3)ncnc12 40456207 QMOXZEMZMWROBM-UHFFFAOYSA-N 225.251 2.950 0 50 BFAA Cc1onc(-c2ccc(F)cc2)c1C=O 43215024 GKFSKVZRERHBQP-UHFFFAOYSA-N 205.188 2.602 0 50 BFAA in-vitro Cc1ccccc1[C@@H]1CCN(CCCCCO)C1 96026590 RHFFLWMLUMMCRW-OAHLLOKOSA-N 247.382 2.947 0 50 BFAA Cc1cc(F)ccc1-c1nc([C@H]2CCOC2)no1 96141441 OUABYBHJOHADTF-VIFPVBQESA-N 248.257 2.688 0 50 BFAA CC[C@H](NC[C@H](C)O)c1cccc(Cl)c1F 135041858 MYMBVQKDJAGPLB-KWQFWETISA-N 245.725 2.901 0 50 BFAA CSc1cc(C(=O)O)ccc1Br 215938086 RHYDEIRJFPKZAE-UHFFFAOYSA-N 247.113 2.869 0 50 BFAA CC[C@@H]1OCCC[C@@H]1C(=O)Nc1cccnc1C 277036751 OSGJLJCZFGEVHO-AAEUAGOBSA-N 248.326 2.534 0 50 BFAA CCc1nc(-c2cc(C)ccc2C)n(C)n1 426399468 XOBYABUELRKEJL-UHFFFAOYSA-N 215.300 2.661 0 50 BFAA CC(C)(C)OC(=O)N1CCC[C@]12CCC(=O)C2 953101456 QKQMTBUNBUEFQE-CYBMUJFWSA-N 239.315 2.509 0 50 BFAA CC(=O)N[C@H](C)c1cc2cc(F)ccc2o1 1875262696 JGEONMDVMNCXCV-SSDOTTSWSA-N 221.231 2.769 0 50 BFAA c1cnc2n[nH]c(-c3ocnc3CC3CC3)c2c1 2356146619 NFZMEHTXYLJZKN-UHFFFAOYSA-N 240.266 2.565 0 50 BFAA c1ccc(-c2cc3c(ccc4nonc43)nn2)cc1 87052 GJJKCCBTWZRCFD-UHFFFAOYSA-N 248.245 2.833 0 50 BFAA O=C(Nc1cccc(O)c1)C1CCCCC1 225738 YSGMXDPUXIDZTD-UHFFFAOYSA-N 219.284 2.911 0 50 BFAA CCOc1ccc(NC(=O)C(C)C)cc1 2903048 HMEMEVHOZQUIDU-UHFFFAOYSA-N 207.273 2.680 0 50 BFAA O=C(Nc1cccc(Cl)c1)Nc1cnccn1 6251137 BEADWGFERYRDNY-UHFFFAOYSA-N 248.673 2.774 0 50 BFAA CCN1CCC[C@H](Nc2ccccc2)C1 12307457 ADJREVVLQMNPHK-ZDUSSCGKSA-N 204.317 2.583 0 50 BFAA Clc1cccc2c(Br)n[nH]c12 14983470 KBOHOYPACGOYAV-UHFFFAOYSA-N 231.480 2.979 0 50 BFAA in-vitro CC[C@H](C(=O)O)n1cc(C(C)=O)c2ccccc21 16474939 WONGCYPXRDVLEE-GFCCVEGCSA-N 245.278 2.880 0 50 BFAA NN1[C@@H](c2ccccc2)[C@H]1c1ccccc1 19169344 GXDYVAZATOFPPQ-MZBDJJRSSA-N 210.280 2.658 0 50 BFAA Cc1nc(C(=O)Nc2c(C)cccc2C)co1 22606332 AFNKWEWGWBHPBK-UHFFFAOYSA-N 230.267 2.852 0 50 BFAA CC(C)(C)OC(=O)n1nc(C=O)c2ccccc21 40435260 NURJOQOCJSRMHF-UHFFFAOYSA-N 246.266 2.632 0 50 BFAA O=C(O)C1Oc2ccccc2-c2ccccc2O1 71773419 FWCHGTYNXRHIAZ-UHFFFAOYSA-N 242.230 2.536 0 50 BFAA Cc1cc(C)cc(-c2nc(CO)cs2)c1 87493341 LFNVTPLJRBEDGW-UHFFFAOYSA-N 219.309 2.919 0 50 BFAA in-vitro COC(=O)c1ccc(C)c(Br)c1C 98181562 BDSPQXLUCOPAHB-UHFFFAOYSA-N 243.100 2.853 0 50 BFAA CC1CCC(CN(C)CCC2OCCO2)CC1 124411711 FKPNWLUHDMAQGT-UHFFFAOYSA-N 241.375 2.508 0 50 BFAA Cc1c(C)c(C)c([S@@](=O)O)c(C)c1C 125977382 QDLZHMDKAGUAFG-UHFFFAOYSA-N 212.314 2.809 0 50 BFAA FC(F)(F)[C@@H]1CNc2ccccc2C1 238556823 AYSIPBLBCZCUOC-QMMMGPOBSA-N 201.191 2.833 0 50 BFAA CCOc1ccc(OCc2cc(OC)no2)cc1 585124132 LZRJSGJGNHEDGO-UHFFFAOYSA-N 249.266 2.661 0 50 BFAA C=CC(=O)NCc1cccc2ccsc12 1875366616 WRJDKRUPHOYQAJ-UHFFFAOYSA-N 217.293 2.704 0 50 BFAA C/C=C(\C)c1cc2[nH]c(=N)[nH]c2cc1F 2332239339 ILYXLVMMIKCSPH-ZZXKWVIFSA-N 205.236 2.538 0 50 BFAA COc1cc(-c2ccc(F)cc2)c(=N)[nH]c1C 2356134598 UFSJWELRQOFJFF-UHFFFAOYSA-N 232.258 2.617 0 50 BFAA COc1ncccc1-c1ocnc1CC1CC1 2356156491 DPUXLWNVVPMWCS-UHFFFAOYSA-N 230.267 2.698 0 50 BFAA CC[C@@]1(C)OC(=O)N(c2ccc(C)cc2)[C@@]1(C)O 62824 XMWMXPJLPCRTIY-KGLIPLIRSA-N 249.310 2.829 0 50 BFAA Cc1ccc(C(=O)Nc2cccnc2)cc1C 235964 IYMRCTVGDIKWJW-UHFFFAOYSA-N 226.279 2.951 0 50 BFAA O=C(Nc1ccc(O)cc1)c1cccc(F)c1 321037 AZOOMGIXRORONB-UHFFFAOYSA-N 231.226 2.784 0 50 BFAA C[C@]1(c2ccc(Cl)cc2)CCOCO1 410051 QAGPRQYGZQGOFH-LLVKDONJSA-N 212.676 2.950 0 50 BFAA Cc1cc(NC(=O)[C@H]2C[C@H]2c2ccccc2)no1 476765 PSRQPFSQPUKINL-RYUDHWBXSA-N 242.278 2.725 0 50 BFAA Cc1ccc2ccccc2c1NS(C)(=O)=O 1396301 QXVXSZRHFDEENE-UHFFFAOYSA-N 235.308 2.520 0 50 BFAA CCC(=O)Oc1ccc(Br)cc1 1684248 JPUYGYIPZTYGTI-UHFFFAOYSA-N 229.073 2.765 0 50 BFAA Cc1cc(C(=O)CCC(=O)O)ccc1Cl 4253068 HECCMMXKNZDUIU-UHFFFAOYSA-N 226.659 2.696 0 50 BFAA C1=C(c2cnc[nH]2)c2ccsc2CC1 4805849 BAADWHDQAKDYLX-UHFFFAOYSA-N 202.282 2.849 0 50 BFAA in-vitro CCN(C(=O)N(C)C)c1ccccc1C 4827075 NIGCMFCNHQKISW-UHFFFAOYSA-N 206.289 2.503 0 50 BFAA CC[C@H]1CCCCN1C(=O)N(CC)CC 4839680 AVGBDYHPEQCFEI-NSHDSACASA-N 212.337 2.713 0 50 BFAA Cc1cccc(NC(=O)NC2CC2)c1C 6698594 MVPOVJLLISNGPX-UHFFFAOYSA-N 204.273 2.587 0 50 BFAA COC(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1 6763242 VLOZEQCBXBDHME-LURJTMIESA-N 249.093 2.934 0 50 BFAA O=C(O)c1cccc(-c2ccc(CO)cc2)c1 16947604 ZOCJZYHNQJDOGC-UHFFFAOYSA-N 228.247 2.544 0 50 BFAA in-vitro NCc1cccc(OCc2ccccc2)c1 20522833 WAMBEHWAKBRTGT-UHFFFAOYSA-N 213.280 2.724 0 50 BFAA in-vitro Cc1ccc(C)c(O[C@H](C)c2nc(C)n[nH]2)c1 65407816 LSUQJOSAUUTQHN-SNVBAGLBSA-N 231.299 2.870 0 50 BFAA Oc1cc(Br)cc(F)c1Cl 96024912 CKVCTSFPTBXLMX-UHFFFAOYSA-N 225.444 2.947 0 50 BFAA in-vitro Cc1cccc(C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)c1 101472768 NLCGWYVJECREQR-OBJOEFQTSA-N 229.323 2.913 0 50 BFAA Cc1ncccc1NC(=O)C1(F)CCCC1 772113283 KPWIWRIYVPCJCP-UHFFFAOYSA-N 222.263 2.611 0 50 BFAA OCc1ccc(-c2ccc3c(c2)CC[C@@H]3O)cc1 844235669 HQGLPMZNHYANLX-INIZCTEOSA-N 240.302 2.826 0 50 BFAA C=CC(=O)N[C@@H](c1ccc(F)cc1)C1CC1 888102322 MCTLDORPIAYQBK-CYBMUJFWSA-N 219.259 2.579 0 50 BFAA CC[C@@H]1C=CCN1Cc1cccc(OC)c1OC 952873557 LPFKFQPWIFTKMP-CYBMUJFWSA-N 247.338 2.854 0 50 BFAA COc1cc(-c2ccc3n[nH]cc3c2)ccn1 1250650315 SZODRZBSBLGHCQ-UHFFFAOYSA-N 225.251 2.634 0 50 BFAA C=CC(=O)N1CCC[C@H]1c1c(F)cccc1OC 1776003114 AOVCOTFWMTYWIJ-NSHDSACASA-N 249.285 2.684 0 50 BFAA CCCc1cnc(C)nc1-c1cncc(O)c1 1875245894 COFCBGPJZJYOQW-UHFFFAOYSA-N 229.283 2.505 0 50 BFAA FC(F)(F)c1ccc(-n2ccnc2)cc1 162191 FUJKJTAYTFLIDA-UHFFFAOYSA-N 212.174 2.891 0 50 BFAA in-vitro c1ccc(N2CCN(c3ccccc3)C2)cc1 400513 WYEYGPJVIZYKNM-UHFFFAOYSA-N 224.307 2.971 0 50 BFAA COC(=O)c1c(N)sc2c1CCCCCC2 4240338 KMQMOTGFHOYIBQ-UHFFFAOYSA-N 239.340 2.776 0 50 BFAA in-vitro CNc1ccc(Br)c(C)c1 20045386 KTOXSFXMKFCJGE-UHFFFAOYSA-N 200.079 2.799 0 50 BFAA CCCN1CC[C@@](C)(O)[C@@H](Cc2ccccc2)C1 67847740 ZKRSOGUPWOYSAE-JKSUJKDBSA-N 247.382 2.712 0 50 BFAA FC(F)(F)[C@@H]1CCC[C@@H](C(F)(F)F)N1 79387515 APPHZZVNZFLFTE-WHFBIAKZSA-N 221.144 2.622 0 50 BFAA OCc1cc(OC(F)(F)F)ccc1Cl 95642848 RLHLFOJWVMTCMC-UHFFFAOYSA-N 226.581 2.731 0 50 BFAA in-vitro Cc1cccc(-n2nc(C(F)(F)F)cc2O)c1 100070217 MYQYGEIESNRNPJ-UHFFFAOYSA-N 242.200 2.905 0 50 BFAA CC(C)[C@@H](NC[C@H]1CCCC(C)(C)C1)C(=O)O 170090857 RVGLVGIPCAZXPC-NWDGAFQWSA-N 241.375 2.902 0 50 BFAA C[C@H]1[C@@H](c2ccccc2)CCN1CCCC(=O)O 175603958 UHKGQOAKWZRNDI-JSGCOSHPSA-N 247.338 2.729 0 50 BFAA CCS[C@@H]1CCCC[C@H]1NCc1ccon1 189513287 XDDSSJLNAQVRIT-VXGBXAGGSA-N 240.372 2.829 0 50 BFAA O=C(O)c1nccnc1NCCCC1CCCC1 224884091 KTTLGUUHJKNAND-UHFFFAOYSA-N 249.314 2.557 0 50 BFAA C[C@H]1c2ccsc2CCN1C(=O)[C@H]1CC12CC2 334999761 MEJZCECMFAPTOU-GXSJLCMTSA-N 247.363 2.994 0 50 BFAA O=C(Nc1ccsc1)[C@H]1C[C@@H]1C(F)F 335922938 GWPOBZTWYUVJFB-BQBZGAKWSA-N 217.240 2.588 0 50 BFAA O=C(NCCc1cccc(Cl)c1)[C@@H]1CC12CC2 421418245 HLXHBCQBUMBYBN-LBPRGKRZSA-N 249.741 2.799 0 50 BFAA CC[C@H](Cn1cncn1)Nc1ccc(C)c(C)c1 888095527 LZLGUWLXKWWMPC-CYBMUJFWSA-N 244.342 2.786 0 50 BFAA CCc1nc(CN[C@@H](C)c2ccncc2C)co1 1875284718 IWCBYNMLIAQTEY-NSHDSACASA-N 245.326 2.791 0 50 BFAA Cc1c(NC(=O)C2CC2)cnc2ccccc12 2325806393 PKOWPZUZEYANLA-UHFFFAOYSA-N 226.279 2.892 0 50 BFAA COc1ccc2cccc(CCNC(C)=O)c2c1 5608 YJYPHIXNFHFHND-UHFFFAOYSA-N 243.306 2.527 0 50 BFAA biogenic,world Cc1ccc(C(=O)c2ccc(C)c(N)c2)cc1N 50336 XDPPHTHWVVAQFC-UHFFFAOYSA-N 240.306 2.699 0 50 BFAA Cc1ccc(CNC(=O)C(C)(C)C)cc1 303979 AKFVSHBZGPWGPX-UHFFFAOYSA-N 205.301 2.657 0 50 BFAA Cc1nccnc1SCc1ccoc1 404072 JFHOJNODOBNELT-UHFFFAOYSA-N 206.270 2.670 0 50 BFAA FC(F)[C@H]1C[C@@H](c2ccco2)Nc2ccnn21 2783359 HMUFMRKIUCOGLX-JGVFFNPUSA-N 239.225 2.839 0 50 BFAA CCOc1cccc(NC(=O)c2ccco2)c1 9816428 HTTJGEXHPYBMCL-UHFFFAOYSA-N 231.251 2.931 0 50 BFAA Cc1nc2c(Br)cccc2n1C 76209864 AGBLMRVKDYCFRV-UHFFFAOYSA-N 225.089 2.644 0 50 BFAA CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@H]2C1 113973372 COUZDDDNQCVUDL-UWVGGRQHSA-N 211.305 2.653 0 50 BFAA in-vitro O=C(c1ccc[nH]1)N1CCC[C@H]1C1CCCC1 132680323 LHLBNQDZMBQDEH-ZDUSSCGKSA-N 232.327 2.810 0 50 BFAA C[C@H](N[C@@H](C)[C@@H]1CC1(C)C)C(=O)OC(C)(C)C 225611603 YRVKSCJVCHRCEH-DCAQKATOSA-N 241.375 2.741 0 50 BFAA C[C@@H](C(=O)Nc1cncc(F)c1)c1ccccc1 336038514 NQAMDJBTDGBXLK-SNVBAGLBSA-N 244.269 2.963 0 50 BFAA CC(C)n1ccnc1CN[C@H](C)CC(F)(F)F 534659681 HSJZMIOWULJDOS-SECBINFHSA-N 249.280 2.895 0 50 BFAA CC(C)NC[C@H](O)c1cccc2c1CCCC2 670419535 OOAHUQPBQRIALA-HNNXBMFYSA-N 233.355 2.597 0 50 BFAA Cc1ccc2n[nH]cc2c1[C@H]1CCNC[C@H]1C 757213244 POGMBJFZNNTQGQ-MNOVXSKESA-N 229.327 2.584 0 50 BFAA C[C@@H]1CCCN1c1nccc2ncccc12 1875273814 LVEOKBUIKWFSMX-SNVBAGLBSA-N 213.284 2.619 0 50 BFAA C=CC(=O)N1CCC[C@@H](c2ccc(OC)cc2)C1 1875367267 LATBDCUQTJQRDR-CYBMUJFWSA-N 245.322 2.587 0 50 BFAA C[C@H](C(=O)O)c1ccc(C(=O)c2ccco2)cc1 5219 ITJUVDBADHDNPU-VIFPVBQESA-N 244.246 2.699 0 50 BFAA investigational O=C(Nc1nccs1)c1ccccc1F 253389 PPEREJLLBYEIRE-UHFFFAOYSA-N 222.244 2.535 0 50 BFAA Cc1ccc(OCC(=O)Oc2ccccc2)cc1 302427 ZDSHUODJHDXTNI-UHFFFAOYSA-N 242.274 2.979 0 50 BFAA COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 304731 BKZXJPQRDUHCJB-UHFFFAOYSA-N 229.279 2.833 0 50 BFAA O=C(Cc1ccccc1)Oc1ccccc1 396110 USVNNHYNCCJCCP-UHFFFAOYSA-N 212.248 2.835 0 50 BFAA O=C(c1ccc(Cl)cc1)c1ccc[nH]1 398969 YTVORWPYOKKVAM-UHFFFAOYSA-N 205.644 2.899 0 50 BFAA in-vitro Cc1ccc(Cl)cc1NC(=O)c1ccnn1C 1429179 SUDHJAFNXRTIFU-UHFFFAOYSA-N 249.701 2.634 0 50 BFAA COc1ccc(I)cc1C 2580771 FKBRRGQXYZMUNC-UHFFFAOYSA-N 248.063 2.608 0 50 BFAA in-vitro Cc1ccc(-c2csc(C=O)n2)cc1 3676329 NIYYLXDRLQFYMS-UHFFFAOYSA-N 203.266 2.931 0 50 BFAA in-vitro CC[C@H](CO)NC1CCC(C(C)(C)C)CC1 4555184 SGGLIDLFSHTYNW-OTTFEQOBSA-N 227.392 2.952 0 50 BFAA in-vitro CCN(CC)CCOc1ccccc1C(C)=O 5013809 MVAJSGLKBQHRCE-UHFFFAOYSA-N 235.327 2.610 0 50 BFAA CC[C@H](C)Oc1ccc(C=O)cc1OC 5656401 HLWKDCMKTGMQNT-VIFPVBQESA-N 208.257 2.685 0 50 BFAA in-vitro O=C(O)c1ccc(Nc2ccccc2)nc1 6733575 OMGPNSFUSJHLFT-UHFFFAOYSA-N 214.224 2.523 0 50 BFAA in-vitro Nc1cc2cc(Br)ccc2cn1 35270064 PQKLBIXLXFRNKT-UHFFFAOYSA-N 223.073 2.580 0 50 BFAA in-vitro Cc1c[nH]c2ncc(Br)cc12 45166751 KFXLHKPTNMYOLR-UHFFFAOYSA-N 211.062 2.634 0 50 BFAA in-vitro C[C@H]1CNc2ccc(Br)cc2O1 62529559 UOPSIXDWTXOYCJ-LURJTMIESA-N 228.089 2.642 0 50 BFAA in-vitro CCC(CC)NC(=O)c1ccc(OC)c(C)c1 72437384 UXQDZTRJRPOGDP-UHFFFAOYSA-N 235.327 2.922 0 50 BFAA CCc1ccc(CN(C)CCCn2cccn2)o1 215844784 GWYQXFKFVWIAFP-UHFFFAOYSA-N 247.342 2.561 0 50 BFAA CCC1CN(C(=O)c2cc(Cl)ccc2F)C1 335075952 LGCYCFBLCQIPEL-UHFFFAOYSA-N 241.693 2.961 0 50 BFAA CCCc1nnc(SCC2CCC2)o1 408513406 HVNGKTPRFPENSD-UHFFFAOYSA-N 212.318 2.914 0 50 BFAA C=CC(=O)NCC1(c2ccccc2F)CCC1 863970997 AFOVMXZRGLGIEH-UHFFFAOYSA-N 233.286 2.550 0 50 BFAA C[C@@H](N[C@H]1CCCC1(F)F)c1ccnc(O)c1 926430407 WIGYTHYNYCCPTH-SCZZXKLOSA-N 242.269 2.626 0 50 BFAA C=CC(=O)N[C@H]1CC[C@@H](C)c2ccccc2C1 1875368157 UUQPWOSTPALJNP-YPMHNXCESA-N 229.323 2.797 0 50 BFAA CC1CCN(C(=O)c2ccccc2)CC1 29147 BAXKIBHBAJDALN-UHFFFAOYSA-N 203.285 2.559 0 50 BFAA O=C(O)CCC(=O)c1ccc2ccccc2c1 51340 GZKLCZIMSAHQDR-UHFFFAOYSA-N 228.247 2.887 0 50 BFAA biogenic CC(C)(C)CC(=O)Nc1ccc2c(c1)OCCO2 4345621 LQQLGGRNBMPQCE-UHFFFAOYSA-N 249.310 2.833 0 50 BFAA CCCCNC(=O)c1cccc(Cl)c1 5419826 NKQOQWJDLCYELT-UHFFFAOYSA-N 211.692 2.870 0 50 BFAA Cc1ccc(NC(=O)N2CCCC2)cc1C 6726378 UWQOYLMWHTVYBH-UHFFFAOYSA-N 218.300 2.931 0 50 BFAA Cc1noc(C)c1C(=O)N[C@@H]1CCCC[C@@H]1C 13329525 CXIPWBPNSSYTOB-GZMMTYOYSA-N 236.315 2.600 0 50 BFAA CC[C@H](C)NC(=O)COc1cc(C)cc(C)c1 14396997 RYRBQMYTPDGTSS-LBPRGKRZSA-N 235.327 2.597 0 50 BFAA Cc1cc(C(=O)Nc2cc(C(C)(C)C)on2)no1 16604761 MLGLDEJWYMNNPV-UHFFFAOYSA-N 249.270 2.521 0 50 BFAA Cc1ccsc1CN1CCSCC1 19537474 FHEVZBPAEAFACD-UHFFFAOYSA-N 213.371 2.605 0 50 BFAA Cc1ccc(C)c(CC(=O)NC2CCCC2)c1 20458186 RTEXSIRNXBRHFF-UHFFFAOYSA-N 231.339 2.905 0 50 BFAA CN(C)Cc1cc(Br)cs1 42250525 FKYQUCSVRWXPKO-UHFFFAOYSA-N 220.135 2.572 0 50 BFAA CCc1ccccc1-c1cc(CO)ccn1 65461813 IYQLZTZKADFZDC-UHFFFAOYSA-N 213.280 2.803 0 50 BFAA Cc1ccc(OC[C@@H](C)NC(=O)C(C)C)cc1C 72119333 KZGWIPJMOIGLCW-CYBMUJFWSA-N 249.354 2.843 0 50 BFAA S=C1O[C@H]2[C@H](O1)C13CC=CCC21CC=CC3 101036136 SRGFULQHILKTAT-WPMGSTCASA-N 234.320 2.742 0 50 BFAA CC(C)(C)OC(=O)CCOCc1ccccc1 135585142 BHECIQYGASYRRP-UHFFFAOYSA-N 236.311 2.935 0 50 BFAA O=Cc1c(F)cccc1OCCC(F)(F)F 169725276 VFGVVCUENBSMHX-UHFFFAOYSA-N 236.164 2.969 0 50 BFAA CCC(=O)Nc1ccc(Cl)cc1-n1cccn1 170607449 MAADACCOGJOIJU-UHFFFAOYSA-N 249.701 2.874 0 50 BFAA C[C@H]1CN(c2ccnc3ccsc23)CCCO1 174723964 LVMFCXPYQJOFME-JTQLQIEISA-N 248.351 2.912 0 50 BFAA C[C@H]1C[C@H](N)CCN1C(=O)CCCC(C)(C)C 237585494 KHNUENFSEYRMCJ-NWDGAFQWSA-N 240.391 2.541 0 50 BFAA C[C@@H]1[C@@H](NC(=O)c2ccccn2)CCC[C@H]1C 248059935 CWMQOLYRWYJRRD-WOPDTQHZSA-N 232.327 2.636 0 50 BFAA COc1ccnc(N2CCC[C@H](C(C)C)CC2)n1 301292457 NYZXEWWJMYIKOH-LBPRGKRZSA-N 249.358 2.748 0 50 BFAA CCCc1nc(C)nn1Cc1ccc(OC)cc1 823015222 DPGMKWSCSWHFHW-UHFFFAOYSA-N 245.326 2.596 0 50 BFAA C[C@H](NC(=O)C1CC1)c1ccc2ccn(C)c2c1 2325791241 FEHFURQVTMOMBI-JTQLQIEISA-N 242.322 2.766 0 50 BFAA COc1ccc(OC)c(NC(=O)c2ccco2)c1 102749 WFNCQGZJZCWODG-UHFFFAOYSA-N 247.250 2.549 0 50 BFAA Nc1ccc(-c2nc3ccc(N)cc3o2)cc1 191078 IBKFNGCWUPNUHY-UHFFFAOYSA-N 225.251 2.659 0 50 BFAA aggregator,in-vitro COc1ccc(CCC(=O)NC(C)(C)C)cc1 405548 HEJCOBKUVCSTJJ-UHFFFAOYSA-N 235.327 2.543 0 50 BFAA Cc1cc(C(=O)NCc2cccs2)c(C)o1 999814 PCHWWXUEJZRTFJ-UHFFFAOYSA-N 235.308 2.888 0 50 BFAA CC[C@H](C(=O)Nc1cnccn1)c1ccccc1 1053558 KPQAZGJNBJCNDV-LBPRGKRZSA-N 241.294 2.609 0 50 BFAA Fc1cc(NC(=S)NC2CC2)ccc1Cl 1077313 MFTHNEBCXKTJMM-UHFFFAOYSA-N 244.722 2.928 0 50 BFAA O[C@H]1CCCCc2ccc(cc2)CCCC[C@@H]1O 4795140 JXIHXAVCJYWKDJ-HOTGVXAUSA-N 248.366 2.848 0 50 BFAA CCCCCC(=O)NCc1ccc(OC)cc1 5501971 ODPOWIXJDVGGHN-UHFFFAOYSA-N 235.327 2.892 0 50 BFAA CC(C)(C)C1CCC2(CC1)CC(=O)NC(=O)C2 6615079 OMZJCACXIHTCKN-UHFFFAOYSA-N 237.343 2.646 0 50 BFAA CCC(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 20116497 FCLRAUBIPJAJPY-UHFFFAOYSA-N 248.326 2.563 0 50 BFAA Cc1ccc(NC(=O)CC[C@@H]2CCCCO2)nc1 110179095 MRDITBLRBFWUIG-LBPRGKRZSA-N 248.326 2.678 0 50 BFAA Cc1ccc2sc(N)nc2c1Br 131862470 UYZZQDGBKLBXNA-UHFFFAOYSA-N 243.129 2.949 0 50 BFAA N#Cc1ccc(N)cc1OCc1ccccc1 136899719 BACKXVWDHDEIHG-UHFFFAOYSA-N 224.263 2.719 0 50 BFAA COc1ccc(CN2CC[C@H](C3CC3)C2)cc1O 378346296 FBLIAVYKWMYAPW-ZDUSSCGKSA-N 247.338 2.633 0 50 BFAA CCNC(=O)N1CCC[C@@H]1/C=C/c1ccccc1 378605644 KFJXLAHRYWPCTM-PLSXKVAHSA-N 244.338 2.894 0 50 BFAA O=C(O)c1ccc(C(=O)O)c(-c2ccccc2)c1 240968 VSZJLXSVGVDPMJ-UHFFFAOYSA-N 242.230 2.750 0 50 BFAA C[C@@](O)(C(=O)O)c1ccc(-c2ccccc2)cc1 392273 BRGSEHHSPCVJLH-HNNXBMFYSA-N 242.274 2.646 0 50 BFAA NC(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1 437855 OBBMUAXVUXGLFI-ZDUSSCGKSA-N 244.269 2.583 0 50 BFAA CC[C@H](C)c1ccc(NC(=O)/C=C/C(=O)O)cc1 474265 SGDJYWAORFDJLY-DDXVTDLHSA-N 247.294 2.779 0 50 BFAA CCOCCCNCc1c(F)cccc1Cl 2178113 QGLGHAAUGFJHNZ-UHFFFAOYSA-N 245.725 2.995 0 50 BFAA CCOC(=O)C[C@H](N)c1ccccc1C(C)C 2553914 JDLVFHVYQAUSGT-ZDUSSCGKSA-N 235.327 2.763 0 50 BFAA Cc1ccc2nsnc2c1NC(=O)C(C)(C)C 4487026 JAMPXRFTGUQYND-UHFFFAOYSA-N 249.339 2.984 0 50 BFAA CCC(=O)Nc1c(Cl)ccc2nsnc12 4488145 RBZFUJTUVISFLU-UHFFFAOYSA-N 241.703 2.693 0 50 BFAA Clc1ccc([C@H]2CSCCN2)cc1 19772784 DUVLSFRFDBIYIC-SNVBAGLBSA-N 213.733 2.718 0 50 BFAA in-vitro O=S1(=O)C[C@]23CC=CC[C@@]2(CCCCC3)C1 45027798 CPKLIMBAKYFUMJ-STQMWFEESA-N 240.368 2.702 0 50 BFAA CCN(CC)C(=O)c1ccc(Cl)cc1F 48231962 WYKIOOZWYJVUAI-UHFFFAOYSA-N 229.682 2.961 0 50 BFAA CCOC(=O)[C@@H](c1ccccc1)N1CCCCC1 63110794 AGSKYKDXQOBAPX-CQSZACIVSA-N 247.338 2.777 0 50 BFAA in-vitro C[C@H]1CNc2ccc(C(F)(F)F)cc2O1 147717019 HWVJNARPWQAWGI-LURJTMIESA-N 217.190 2.898 0 50 BFAA CN(C)[Si](C)(C)CC[Si](C)(C)N(C)C 170155737 MRAAXSSHMOFDJR-UHFFFAOYSA-N 232.520 2.520 0 50 BFAA in-vitro O=C(Nc1cccc(C(F)F)c1)NC1CC1 171390119 CJIXSAUOUAJTSW-UHFFFAOYSA-N 226.226 2.908 0 50 BFAA CN(C)c1cc(Br)cc(F)c1F 230538529 IDRLAELBZPRRTO-UHFFFAOYSA-N 236.059 2.793 0 50 BFAA C[C@H]1C[C@@H](N)CCN1C(=O)CCCC(C)(C)C 237641750 KHNUENFSEYRMCJ-RYUDHWBXSA-N 240.391 2.541 0 50 BFAA O=Cc1ccc2ncc(Br)cc2c1 253496067 APMWGLGWAYESOM-UHFFFAOYSA-N 236.068 2.810 0 50 BFAA O=C(O)c1cnc(-c2ccc(Cl)s2)nc1 306683766 XLANCXHJFMRGRC-UHFFFAOYSA-N 240.671 2.557 0 50 BFAA Cc1nccc(NC[C@H]2CCCO2)c1Cl 308874140 UDURAWUMZIBTDJ-SECBINFHSA-N 226.707 2.634 0 50 BFAA O=C(CCc1ccccc1)N1CC[C@@H](C2CC2)C1 367148861 NTIBWYHDPJBMDS-OAHLLOKOSA-N 243.350 2.878 0 50 BFAA CON(C)c1cc(C)nc(-c2cccs2)n1 408521457 VBQPSBZYYAVKLU-UHFFFAOYSA-N 235.312 2.511 0 50 BFAA COc1cccc(-c2ncnn2C(C)(C)C)c1F 670437721 MSFWOMBPRDYPNF-UHFFFAOYSA-N 249.289 2.848 0 50 BFAA C=CC(=O)NCc1cc2cc(C)ccc2o1 863970170 CAVSCBCXGPAYPD-UHFFFAOYSA-N 215.252 2.543 0 50 BFAA CCOc1ccc(Cl)cc1-c1cncc(N)n1 2356137999 DPJNQRWKVIFRHT-UHFFFAOYSA-N 249.701 2.778 0 50 BFAA S=C(Nc1ccccc1)NC1CCCC1 146240 LJVDCHOCLAEROU-UHFFFAOYSA-N 220.341 2.916 0 50 BFAA in-vitro O=C(O)CCc1ccc(-c2ccccc2)[nH]1 199907 RSKVDNXGAFVGIU-UHFFFAOYSA-N 215.252 2.699 0 50 BFAA in-vitro C[C@H](CCc1ccccc1)NC1CCC(O)CC1 757550 AVWGNBULMRQBMO-IUDNXUCKSA-N 247.382 2.901 0 50 BFAA Cc1cc(C(=O)O)c2cccc(C)c2n1 1304613 CAWHKRVQNJNMNW-UHFFFAOYSA-N 201.225 2.550 0 50 BFAA in-vitro COc1ccc2[nH]cc([C@H]3CCCN3C)c2c1 2016808 NNCOKSDPKDOAOW-CQSZACIVSA-N 230.311 2.943 0 50 BFAA Cc1cc(OC(F)(F)F)ccc1C(=O)O 2382226 GINWJGHZNRKJEK-UHFFFAOYSA-N 220.146 2.592 0 50 BFAA COc1ccc(OC(=O)c2ccccc2)cc1 4826707 PMRMHHUTWZPFIY-UHFFFAOYSA-N 228.247 2.914 0 50 BFAA Cc1ccccc1[S@@](=O)c1ccccn1 5784829 AUARSJQNSXZDJK-HNNXBMFYSA-N 217.293 2.557 0 50 BFAA CSc1ccc(Br)cn1 12359441 CFBYLVDSPYTKPR-UHFFFAOYSA-N 204.092 2.566 0 50 BFAA in-vitro O=C(NC1CCCC1)c1ccc(F)c(F)c1 12867978 WSDKODWFGGVLFP-UHFFFAOYSA-N 225.238 2.637 0 50 BFAA CC[n+]1c(C)sc2cccc(OC)c21 22015718 BOFQIJFINYMKOL-UHFFFAOYSA-N 208.306 2.526 0 50 BFAA CCCOc1ncccc1Br 40456704 VURGFTJAQHGGOM-UHFFFAOYSA-N 216.078 2.633 0 50 BFAA in-vitro CCCN(Cc1cnn(CC)c1)CC(C)C 55132674 VDBUXOSYMMZLBX-UHFFFAOYSA-N 223.364 2.771 0 50 BFAA COC(=O)c1ccc(-c2ncccc2F)cc1 85210160 GUTJJFZNPUJZKT-UHFFFAOYSA-N 231.226 2.674 0 50 BFAA in-vitro CSc1ncc(C)cc1Br 86032256 DNPQVOGPRPPDLC-UHFFFAOYSA-N 218.119 2.874 0 50 BFAA in-vitro CCCCCNC(=O)Nc1cccc2cn[nH]c12 96133828 ISRDXWRUJRZDBX-UHFFFAOYSA-N 246.314 2.875 0 50 BFAA CCC(CC)[C@H]1CCN(CCC2OCCO2)C1 170597022 CKVQADITXFCEPG-ZDUSSCGKSA-N 241.375 2.508 0 50 BFAA CCOc1ccccc1N(C)Cc1csnn1 188692572 ZFIKFWKHGQYBHG-UHFFFAOYSA-N 249.339 2.573 0 50 BFAA CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H](C=O)C1 220004688 GTAFLYOFDSVADI-MNOVXSKESA-N 241.331 2.516 0 50 BFAA O=Cc1ccc(-c2noc(C3CCC3)n2)cc1 725273539 JVZUAVKDYJDGJR-UHFFFAOYSA-N 228.251 2.817 0 50 BFAA Cc1ncsc1-c1nccn1CC1CC1 1875242857 FOJBYAKRQTYPEW-UHFFFAOYSA-N 219.313 2.725 0 50 BFAA Cc1nc2sc3c(N)ncnc3c2c(C)c1C 84214 ZHOGWCBNPGYLOR-UHFFFAOYSA-N 244.323 2.747 0 50 BFAA CCOC(=O)C(C)(C)Oc1ccc2c(c1)CCC2 1459481 PXHVITAZTXFDNB-UHFFFAOYSA-N 248.322 2.896 0 50 BFAA O=[N+]([O-])/C(Br)=C/c1ccccc1 2029563 SKDNDVDHYMEGNJ-SOFGYWHQSA-N 228.045 2.657 0 50 BFAA COc1ccc(-c2ncc(C=O)s2)cc1OC 4204436 PVFZZVFDLGBCDQ-UHFFFAOYSA-N 249.291 2.640 0 50 BFAA Cc1ccc(Nc2ncccc2C(=O)O)cc1 4624049 OFKCFBVBBOJSMC-UHFFFAOYSA-N 228.251 2.832 0 50 BFAA CCC(=O)N[C@@H](C)c1ccc(C)cc1C 6699427 KWHYUZMRRBAYGH-NSHDSACASA-N 205.301 2.891 0 50 BFAA CC(C)(C)OC(=O)N1CCNc2ccccc21 12357066 DXXFPGTUHSMYSG-UHFFFAOYSA-N 234.299 2.854 0 50 BFAA Nc1cc2[nH]ccc2cc1Br 16678017 SBVQALZKTIHCSD-UHFFFAOYSA-N 211.062 2.513 0 50 BFAA in-vitro Clc1cnc2[nH]ccc2c1Br 44712687 UHOQDMKXJCJJGE-UHFFFAOYSA-N 231.480 2.979 0 50 BFAA CCCCOCc1nc(Cc2ccccc2)n[nH]1 65498490 QJIHHVDCMRGWQP-UHFFFAOYSA-N 245.326 2.712 0 50 BFAA Cc1ccc(C(=O)c2snnc2C)c(C)c1 71783112 VWGMUUSQVSWLOV-UHFFFAOYSA-N 232.308 2.694 0 50 BFAA Fc1ccc(OCc2ccccc2)nc1 74934332 CXHFAKQPKZHTQW-UHFFFAOYSA-N 203.216 2.800 0 50 BFAA in-vitro CCOC(=O)C(=O)c1ccc(Cl)c(CC)c1 86005651 STPGNGSDZLEHAQ-UHFFFAOYSA-N 240.686 2.648 0 50 BFAA CCCCc1cc(=O)c2ccccc2[nH]1 101571475 VCANFRORCMQOFD-UHFFFAOYSA-N 201.269 2.871 0 50 BFAA CC(C)(C)OC(=O)N1Cc2ccccc2[C@H]1C=O 220563624 FVFZNUFDZXUBCF-GFCCVEGCSA-N 247.294 2.677 0 50 BFAA C[C@H](NC1CCCCC1)c1ccnc(O)c1 309587033 SFQSTBXXMCXTLQ-JTQLQIEISA-N 220.316 2.771 0 50 BFAA CCCN1CCC(c2ccccc2C(=O)O)CC1 363859153 VHCNTGSKSDSDMX-UHFFFAOYSA-N 247.338 2.974 0 50 BFAA Cc1ccc2ncccc2c1C(=O)NCC1CC1 2325775785 PXAUJELXEYUJDX-UHFFFAOYSA-N 240.306 2.683 0 50 BFAA COC(=O)c1ccc(CN(C(C)C)C(C)C)o1 285596 PZHBTHQXROMAKE-UHFFFAOYSA-N 239.315 2.685 0 50 BFAA O=Cc1ccc(-c2cn3ccsc3n2)cc1 337593 CREFTZDQROCPJJ-UHFFFAOYSA-N 228.276 2.875 0 50 BFAA CNC(=O)Nc1cccc2ccccc12 395057 VDJTZEDAWWLYLP-UHFFFAOYSA-N 200.241 2.591 0 50 BFAA Cc1ccc(C(=O)NC(C)(C)C)c(C)c1 514664 KGZACQDGTORXLH-UHFFFAOYSA-N 205.301 2.832 0 50 BFAA CCC[C@@H](C)Oc1ccc(C(=O)O)cc1 570206 DSLOIDXSXSKJBP-SECBINFHSA-N 208.257 2.952 0 50 BFAA N=C(N)c1cc(C(F)(F)F)ccc1Cl 1438996 GJLNUHHVQGLRRW-UHFFFAOYSA-N 222.597 2.643 0 50 BFAA Cc1cc2n(n1)[C@H](C(F)(F)F)C[C@H](C1CC1)N2 2537054 PQMGALGWECRSJB-BDAKNGLRSA-N 245.248 2.889 0 50 BFAA Cc1cccc(-c2csc(C=O)n2)c1 3676469 NMHRHBKFHFEHPB-UHFFFAOYSA-N 203.266 2.931 0 50 BFAA in-vitro Fc1ccc(CNc2ccccn2)cc1 4501579 PZILXGBGUICZBR-UHFFFAOYSA-N 202.232 2.833 0 50 BFAA c1cn(CCCOc2ccc3c(c2)CCC3)cn1 4810559 UEBAUGXRLBXJJE-UHFFFAOYSA-N 242.322 2.841 0 50 BFAA COC(=O)c1cncc(-c2ccccc2)c1 8700058 CJXJQNNSSJBPBF-UHFFFAOYSA-N 213.236 2.535 0 50 BFAA in-vitro Fc1ccc2[nH]c([C@H]3CCCCN3)nc2c1 14808208 WHFCKKIVCAMLFF-SNVBAGLBSA-N 219.263 2.517 0 50 BFAA CCCOc1cccc(C(=O)N2CCCC2)c1 16580380 QTRNGXSYJLXBAP-UHFFFAOYSA-N 233.311 2.711 0 50 BFAA O=C(Nc1cccnc1)[C@@H]1CC12CCCC2 20780641 RZDOLANVULRPPR-NSHDSACASA-N 216.284 2.600 0 50 BFAA CCN1CCC[C@@H]1CNCC1CCCCC1 22936548 FKQNVDLKCQFMQV-CQSZACIVSA-N 224.392 2.641 0 50 BFAA Cc1c(Cl)ccnc1Br 95761933 UAHHMJZKBNKCIN-UHFFFAOYSA-N 206.470 2.806 0 50 BFAA COc1cccc2c1CC[C@H](N(C)C(C)C)C2 96026995 RDMRBXOKHMGYQF-ZDUSSCGKSA-N 233.355 2.893 0 50 BFAA Cc1cc2cccc(Br)c2c(=O)[nH]1 125308069 AKZYODAXWHQLGP-UHFFFAOYSA-N 238.084 2.599 0 50 BFAA CC(C)Cn1cc(NC(=O)[C@H]2CC2(C)C)cn1 125758319 POHOKDHLFFXVAJ-LLVKDONJSA-N 235.331 2.524 0 50 BFAA CC[S@](=O)Cc1cccc(Br)c1 170592914 SBLBEKUMCAXMLL-LBPRGKRZSA-N 247.157 2.718 0 50 BFAA CC(C)COB(OCC(C)C)OCC(C)C 195761397 LHJSLDBKUGXPMI-UHFFFAOYSA-N 230.157 2.989 0 50 BFAA Nc1cccc2ncc(C(F)(F)F)cc12 255187306 CQMXQQDABAFPMA-UHFFFAOYSA-N 212.174 2.836 0 50 BFAA Cc1ccoc1CN[C@@H]1C[C@@H](N)c2ccccc21 261562176 GIQTUKDIFQPHMF-ZIAGYGMSSA-N 242.322 2.822 0 50 BFAA C=CC(=O)N1CC(C)(C)[C@H]1c1cccs1 328597255 GGVHJGFFNLBQQE-LLVKDONJSA-N 221.325 2.844 0 50 BFAA CN1CCC(n2ccnc2C2CCCC2)CC1 1857733639 RXMWCZIVNXYINZ-UHFFFAOYSA-N 233.359 2.807 0 50 BFAA Cc1cc(Br)cc2nsnc12 1857779976 OTDVBFCNMZBIPQ-UHFFFAOYSA-N 229.102 2.762 0 50 BFAA Cc1cc(-c2cccc3c2O[C@H](C)CN3)n[nH]1 2325778439 ZPVBWNSYGAVDMG-SECBINFHSA-N 229.283 2.578 0 50 BFAA CN(C)c1cccc2cccc(N(C)C)c12 56476 GJFNRSDCSTVPCJ-UHFFFAOYSA-N 214.312 2.972 0 50 BFAA in-vitro Cc1cccc(NC(=O)c2ccncc2)c1C 362132 GBXNRMKAPVSHLB-UHFFFAOYSA-N 226.279 2.951 0 50 BFAA Cc1ccc(-c2nnc3nc(C)cc(C)n23)cc1 1028107 XNUPAZHYBAMLRQ-UHFFFAOYSA-N 238.294 2.717 0 50 BFAA CCCCNC(=O)Nc1ccc(OC)cc1 1640194 NHZDUGJWEDTOPV-UHFFFAOYSA-N 222.288 2.617 0 50 BFAA NCCCCCCCCCCCCN 1685531 QFTYSVGGYOXFRQ-UHFFFAOYSA-N 200.370 2.805 0 50 BFAA in-vitro CCC[C@H](C)CC(C(=O)OCC)C(=O)OCC 2166644 GSEKUTHOMWBXQU-JTQLQIEISA-N 244.331 2.555 0 50 BFAA O=Cc1cccc(OC(=O)C2CCCCC2)c1 2558342 KAWDPMXWDBVTBI-UHFFFAOYSA-N 232.279 2.985 0 50 BFAA CCC[C@H](C)C(=O)Nc1ccc2c(c1)OCCO2 4197085 RWVDXCQFPYWMPK-JTQLQIEISA-N 249.310 2.833 0 50 BFAA CC(C)(C)CC(=O)n1nnc2ccccc21 5283944 ZGYTUDOKBYAGMV-UHFFFAOYSA-N 217.272 2.508 0 50 BFAA Cc1ccc(CCC(=O)N2CCCC2)cc1 10338894 OWISSMIFCDKGOK-UHFFFAOYSA-N 217.312 2.550 0 50 BFAA Cc1cccc2c1NC(=O)[C@@H]2Cc1ccco1 15017873 BFNXTWJBKUEFGM-GFCCVEGCSA-N 227.263 2.866 0 50 BFAA c1coc(CNC2Cc3ccccc3C2)c1 23282714 AWYIXKIUGFFYKF-UHFFFAOYSA-N 213.280 2.537 0 50 BFAA CC(C)c1ccccc1O[C@H](C)C(=O)NC1CC1 44903463 CFXHFYOKEYIILZ-LLVKDONJSA-N 247.338 2.856 0 50 BFAA CC[C@H](C)N(Cc1cccnc1)Cc1c[nH]cn1 55196074 LNFKCNVWNMWXBS-LBPRGKRZSA-N 244.342 2.605 0 50 BFAA CCN[C@H](CC)C(=O)c1ccc(C)cc1 71509591 ZTIPDEPKTDPNQE-GFCCVEGCSA-N 205.301 2.566 0 50 BFAA in-vitro CC(=O)c1cc(Br)ccc1C 78224408 ZNMVYUFRYQVCRD-UHFFFAOYSA-N 213.074 2.960 0 50 BFAA OCC1(c2ccc(Br)cc2)CCC1 81991170 QOVXGMUWKJOYQF-UHFFFAOYSA-N 241.128 2.863 0 50 BFAA CC(C)(C)OC(=O)N1CC[C@@H](O)c2ccccc21 118227960 ZJCMDJROEALXPO-GFCCVEGCSA-N 249.310 2.865 0 50 BFAA CC(=O)Nc1nn([C@H](C)c2ccccc2)cc1C 170607515 AXZGEJSSPBKFNY-LLVKDONJSA-N 243.310 2.759 0 50 BFAA O=C(O)c1cc(C2CC2)nc(C(F)(F)F)c1 216553218 SAZMXYGRFBABPD-UHFFFAOYSA-N 231.173 2.676 0 50 BFAA CC(C)=CC(=O)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 239869275 CXYGHHKYZADZHP-PEBLQZBPSA-N 233.355 2.894 0 50 BFAA CSc1ccc(-c2cc(N(C)C)ncn2)cc1 426414910 YETGLCPXFHLPJL-UHFFFAOYSA-N 245.351 2.932 0 50 BFAA N=c1ccc(-c2ccc(-c3cc[nH]n3)s2)c[nH]1 426498364 CCWBLERNSGMDMF-UHFFFAOYSA-N 242.307 2.613 0 50 BFAA O=C(O)Cc1ccc(/C=C/c2ccccc2)nc1 534634191 JHYJFMMQGXNFLZ-SOFGYWHQSA-N 239.274 2.879 0 50 BFAA O=Cc1cccc(-c2c[nH]c3nccc-3c2)c1 585661688 HVKTZZYGFQDEST-UHFFFAOYSA-N 222.247 2.994 0 50 BFAA C=CC(=O)N[C@H]1C[C@H](c2ccccc2Cl)C1 863971503 VUDNEILGZMGWDD-MGCOHNPYSA-N 235.714 2.888 0 50 BFAA CC(C)c1ccc(NC(=O)CCC(=O)O)cc1 128583 DMNDZLDETMPEKO-UHFFFAOYSA-N 235.283 2.613 0 50 BFAA O=CN[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21 173759 PPQYDKFQHSINPX-GFCCVEGCSA-N 248.713 2.945 0 50 BFAA O=C(O)c1ccc2c(c1)ncn2C1CCCC1 257587 WLNVBEPDJTXPOD-UHFFFAOYSA-N 230.267 2.850 0 50 BFAA CC(C)c1ccc(C(=S)N2CCOCC2)cc1 555741 DVFUMQDMJKZVOD-UHFFFAOYSA-N 249.379 2.818 0 50 BFAA CCCCC[C@H](O)[C@@H](CO)CCCC 1655726 KBGFEZLHKQYIPE-NEPJUHHUSA-N 202.338 2.726 0 50 BFAA O=c1[nH]nc2c3c(cccc13)-c1ccccc1-2 2227658 IKVRZIDOALZALL-UHFFFAOYSA-N 220.231 2.571 0 50 BFAA O=C1Nc2ccccc2/C1=C1\CCCCCN1 5731681 BUUZXNKTNOPQRN-SEYXRHQNSA-N 228.295 2.513 0 50 BFAA biogenic C[C@@H](NC(=O)Nc1ccccc1)c1ccccn1 9220269 BVBLXMIDAMCQJA-LLVKDONJSA-N 241.294 2.964 0 50 BFAA C1CCCC(NCCN2CCCCC2)CC1 19637497 FGLHSPBRORPHQZ-UHFFFAOYSA-N 224.392 2.785 0 50 BFAA Brc1cnc(-c2ccccc2)nc1 34286650 ZZKCBZDJCZZPSM-UHFFFAOYSA-N 235.084 2.906 0 50 BFAA in-vitro OCc1ccc(Br)cc1Cl 37367594 PAQVZCDJJABVMB-UHFFFAOYSA-N 221.481 2.595 0 50 BFAA in-vitro O=C(COc1ccccc1)OCc1ccccc1 38221967 ORSXISLPWNELTJ-UHFFFAOYSA-N 242.274 2.809 0 50 BFAA FC(F)(F)C(F)(F)I 55345817 UXPOJVLZTPGWFX-UHFFFAOYSA-N 245.916 2.577 0 50 BFAA CC[C@@H](C)c1nc2c(cnn2CC(C)C)[nH]1 67975438 XEBLNEVLKBRTNN-SECBINFHSA-N 220.320 2.929 0 50 BFAA O=C(O)/C=C/c1cccc(Br)c1F 75902123 RWTIAAOXVAUDCJ-SNAWJCMRSA-N 245.047 2.686 0 50 BFAA in-vitro CC[C@@H](c1ccccc1)N1CC[C@H](C(=O)O)C1 86789843 IABIVNTXVLRPMJ-STQMWFEESA-N 233.311 2.544 0 50 BFAA FC1(c2cccc(Cl)c2)CCNCC1 158112063 FYVOYCXNBROKPX-UHFFFAOYSA-N 213.683 2.888 0 50 BFAA O=C(N[C@@H]1CCCCC12CCCC2)c1cc[nH]n1 253429315 RHHYDKYTVMWEBI-GFCCVEGCSA-N 247.342 2.643 0 50 BFAA CCC[C@@H]1CCC[C@H]1C(=O)NCc1c[nH]nc1C 294547394 YEBSITSIMTXYOW-DGCLKSJQSA-N 249.358 2.551 0 50 BFAA CS[C@H](CNC(=O)c1ccco1)C(C)(C)C 343429772 FWCLDKQFINLSAC-SNVBAGLBSA-N 241.356 2.787 0 50 BFAA CC1(C)C[C@H]1C(=O)NCC1C(C)(C)C1(C)C 358310895 NQQXUURZYCILLE-VIFPVBQESA-N 223.360 2.831 0 50 BFAA Cc1nnc(N2CCC[C@H]2c2cccnc2)s1 370091789 XAAMDRCKCPMBPW-NSHDSACASA-N 246.339 2.583 0 50 BFAA C=CC(=O)N1CCC[C@@H]1c1ccc(C)cc1 1336676268 LVAIPHODPSMXPX-CYBMUJFWSA-N 215.296 2.845 0 50 BFAA CC[C@@H](CCCC(=O)O)NC(=O)OC(C)(C)C 1857782979 GWCYZLLDANHENC-VIFPVBQESA-N 245.319 2.545 0 50 BFAA CNC(=O)Nc1c(Cl)ccc2ncccc12 2325815758 AONDCGHFJRPXNA-UHFFFAOYSA-N 235.674 2.640 0 50 BFAA COc1ccc(-c2ocnc2CC2CC2)cn1 2356143053 SRLLEZKNNLZPNI-UHFFFAOYSA-N 230.267 2.698 0 50 BFAA CCOc1ccc(C(=O)n2nc(C)cc2C)cc1 437001 BOHPFTHAEPYMCS-UHFFFAOYSA-N 244.294 2.587 0 50 BFAA Cc1ccc(C(=O)Nc2cccc(F)c2)o1 475066 BYNGHQSUAAVZAH-UHFFFAOYSA-N 219.215 2.979 0 50 BFAA O=C(O)CCCCCC[C@@H]1CCCC1=O 1762132 RPUNGFMSPXJEDK-SNVBAGLBSA-N 212.289 2.781 0 50 BFAA Cc1cc(C(=O)C(F)(F)F)ccc1F 2378588 LXYZEMSITQZCRP-UHFFFAOYSA-N 206.138 2.879 0 50 BFAA CCCNC(=S)Nc1cc(C)cc(C)c1 2782172 WORVOUCNQMSQBO-UHFFFAOYSA-N 222.357 3.000 0 50 BFAA CC(C)(C)NC(=O)Nc1ccccc1F 2889963 DDTVOMSZLMSUJV-UHFFFAOYSA-N 210.252 2.746 0 50 BFAA FC(F)(F)c1ccc(Br)cn1 4244987 RPFAUCIXZGMCFN-UHFFFAOYSA-N 225.995 2.863 0 50 BFAA in-vitro O[C@H](CNc1ccccc1)COc1ccccc1 5162462 DSXTWXWHWLDHFS-CQSZACIVSA-N 243.306 2.538 0 50 BFAA CCN1CCC[C@@H](Nc2ccccc2)C1 12307456 ADJREVVLQMNPHK-CYBMUJFWSA-N 204.317 2.583 0 50 BFAA C[C@@H](NC(=O)NC1CCCCC1)c1cccnc1 13331939 HSEWSFAEFIZFLI-LLVKDONJSA-N 247.342 2.775 0 50 BFAA CC[C@@H](C)c1ncncc1Br 15021309 QXYSMMNJSYBORC-ZCFIWIBFSA-N 215.094 2.753 0 50 BFAA in-vitro CCc1cc(Cl)nc(N2CCCCC2)n1 19090451 DEFHAJMRIODKPC-UHFFFAOYSA-N 225.723 2.683 0 50 BFAA in-vitro O=c1[nH]c2ccc(OCc3ccccc3)cc2o1 25757470 JVUPJESJQYCFOB-UHFFFAOYSA-N 241.246 2.700 0 50 BFAA in-vitro O=Cc1ccnc(-c2ccc(F)cc2)c1 41210553 UMICIVXTBAEPGA-UHFFFAOYSA-N 201.200 2.700 0 50 BFAA Cc1cccc(C)c1OC[C@H](C)n1cnnc1 65470560 RPEDRYKBQVEFTQ-LBPRGKRZSA-N 231.299 2.535 0 50 BFAA CC(=O)Nc1ccc(-c2c(C)n[nH]c2C)cc1 67727326 FQLWDECGAIZXKD-UHFFFAOYSA-N 229.283 2.652 0 50 BFAA COc1cccc(-c2ccnc3[nH]ccc23)n1 72156558 GVYFSHAWVJRXBJ-UHFFFAOYSA-N 225.251 2.634 0 50 BFAA O=C(C=C1CCC1)OCc1ccccc1 87023568 NTWLXCGYGJIZMP-UHFFFAOYSA-N 202.253 2.840 0 50 BFAA O=C(Nc1ccc2cc[nH]c2c1)Nc1cc[nH]n1 194312578 JYMDXLNVFZVSHC-UHFFFAOYSA-N 241.254 2.535 0 50 BFAA CC[C@@H](C)N[C@@H](C)CCCC(C)(C)O 200521187 XMVVNMIHLLIKAJ-MNOVXSKESA-N 201.354 2.704 0 50 BFAA C[C@@H](NC(=O)C(C)(C)C)[C@@H]1C[C@H]2CC[C@H]1C2 243584775 OQNMQGCHGSHCCA-RHYQMDGZSA-N 223.360 2.973 0 50 BFAA CS[C@H](C)C(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21 245289664 DIEXCLHTYSOWDB-WISYIIOYSA-N 241.400 2.918 0 50 BFAA COCCN1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 367540343 KTHQMXQXNYLSPU-XHSDSOJGSA-N 245.366 2.901 0 50 BFAA c1c2c(nn1C1CCCCC1)CCCN2 382672416 ANIUTDILWPYVFB-UHFFFAOYSA-N 205.305 2.746 0 50 BFAA Cc1cc2c[nH]nc2cc1[C@@H]1C[C@@H](C)CCN1 757215699 XBHWFQHDPZRASK-XPTSAGLGSA-N 229.327 2.932 0 50 BFAA C=CC(=O)N1CC(c2ccccc2)(C(C)C)C1 863971293 NKXNDWVAKLDJMA-UHFFFAOYSA-N 229.323 2.609 0 50 BFAA C=CC(=O)Nc1cccc(-c2ccnc(C)n2)c1 1335283978 MMKWNFWTTRJTFC-UHFFFAOYSA-N 239.278 2.577 0 50 BFAA CC1=NO[C@@](C)(c2nc(-c3ccsc3)no2)C1 1615553216 VKNHMKQDEXFALN-LLVKDONJSA-N 249.295 2.810 0 50 BFAA Cn1ccc2c(C(=O)C3CCOCC3)cccc21 1772812035 GLSRFSIKDSRWOC-UHFFFAOYSA-N 243.306 2.788 0 50 BFAA Fc1cc(F)c(F)c(Br)c1 409376 XSMLLZPSNLQCQU-UHFFFAOYSA-N 210.980 2.866 0 50 BFAA in-vitro CC[C@@H](C)OC(=O)c1[nH]c2c(c1C)C(=O)CCC2 427704 CNNMTGOUQGHWQB-MRVPVSSYSA-N 249.310 2.797 0 50 BFAA CCOc1ccc2ccccc2c1CO 473728 USEQXNGDJGPZOP-UHFFFAOYSA-N 202.253 2.731 0 50 BFAA in-vitro O=C1c2ccccc2CCc2cc(O)ccc21 2244331 MSGQRAAQALHWFA-UHFFFAOYSA-N 224.259 2.722 0 50 BFAA biogenic,in-vitro Clc1ccccc1[C@@H]1CNCCS1 2585752 SYNYZEPTKJHAMT-JTQLQIEISA-N 213.733 2.718 0 50 BFAA O=C(O)c1cc2cc(Cl)cc(F)c2[nH]1 3748657 XQOYTKZOWZWKPP-UHFFFAOYSA-N 213.595 2.659 0 50 BFAA in-vitro CC1(C)C[C@@H](NCc2ccc(F)cc2)CCO1 4120587 LSHLORCIQKHXAN-ZDUSSCGKSA-N 237.318 2.873 0 50 BFAA O=C(Nc1ccc(F)cc1)c1cncs1 4728154 PNTUVYCZTTXVDF-UHFFFAOYSA-N 222.244 2.535 0 50 BFAA Cc1nc(NC(=O)CC(C)C)sc1C 5533784 VHLFJTPDWNTIEJ-UHFFFAOYSA-N 212.318 2.745 0 50 BFAA Clc1ccccc1NC[C@H]1CCCN1 6658317 OPSFCDOACOSJTM-SECBINFHSA-N 210.708 2.504 0 50 BFAA in-vitro CN(C)Cc1cc(Cl)c(O)c(Cl)c1 19851453 IBHHIABVMOAELM-UHFFFAOYSA-N 220.099 2.761 0 50 BFAA CCN(CC)c1ccc(C(F)(F)F)cn1 20638965 CIZAGFZTOGKOBA-UHFFFAOYSA-N 218.222 2.947 0 50 BFAA CCC(=O)c1cccc(-n2ccc(C(C)=O)n2)c1 65431681 KXGQELJXPUSQQO-UHFFFAOYSA-N 242.278 2.668 0 50 BFAA NC[C@@H]1Cc2cc(-c3cccs3)cc(F)c2O1 67676235 NBVGSYBYCGDFLH-JTQLQIEISA-N 249.310 2.816 0 50 BFAA C[S@](=O)c1c(Cl)cccc1Cl 67801374 FERWOIZMUYDQAV-LLVKDONJSA-N 209.097 2.731 0 50 BFAA CO[C@@H]1C(Br)=C[C@H]2[C@H]3C=C[C@@H](C3)[C@@H]12 104307256 KGGLAJNQSFOHCY-MZFCOBPBSA-N 241.128 2.732 0 50 BFAA Cc1cc(C(=O)N2C[C@H](C)CCC[C@@H]2C)no1 133890414 YUDWABOTLWPLJX-ZJUUUORDSA-N 236.315 2.634 0 50 BFAA Fc1ccccc1OCCSc1ncc[nH]1 172934569 PJJWYLGGCLEMJX-UHFFFAOYSA-N 238.287 2.720 0 50 BFAA Cc1ccc(CN[C@H](C)CCO)cc1Cl 193736990 XMLUAROXTFFBMK-SNVBAGLBSA-N 227.735 2.509 0 50 BFAA COc1ccccc1CN[C@@H]1CSC[C@H]1C 285619899 WJMXDLUBPZYMDJ-ZYHUDNBSSA-N 237.368 2.536 0 50 BFAA Cc1noc(NC(=O)C[C@@H]2CC[C@H]3C[C@@H]23)c1C 333597815 UPBJDAIANXNQGG-GARJFASQSA-N 234.299 2.666 0 50 BFAA COc1ccc(-c2cnc(C)c(C)n2)cc1OC 426430614 DKBUUHGPAIKJFY-UHFFFAOYSA-N 244.294 2.778 0 50 BFAA Cn1cc(CCNC2CCCC2)c2cccnc21 865812470 QUJHRHULRQLOBE-UHFFFAOYSA-N 243.354 2.648 0 50 BFAA COc1ccc(OC)c(-c2ccc(O)c(C)n2)c1 2356169372 ZNXLCOQYUPXPAD-UHFFFAOYSA-N 245.278 2.780 0 50 BFAA O=C(Nc1ccccc1Br)C1CC1 363920 BUGVBYSRBPRCSK-UHFFFAOYSA-N 240.100 2.798 0 50 BFAA C[C@@H]1CCCN(C(=O)c2c(F)cccc2F)C1 1055067 XPNHUIWKBJVXIW-SECBINFHSA-N 239.265 2.837 0 50 BFAA C[C@@H](NC(=O)Cc1cccs1)c1ccncc1 1056654 BFOBCGAWKRGVHO-SNVBAGLBSA-N 246.335 2.563 0 50 BFAA CC(=O)c1c[nH]c(C(=O)NC2CCCCCC2)c1 1396098 HAHGEYFRQNGRPD-UHFFFAOYSA-N 248.326 2.670 0 50 BFAA Cc1cc(I)ccc1F 2560403 DYQIYXDSKUUZRI-UHFFFAOYSA-N 236.027 2.739 0 50 BFAA in-vitro CCCNC(=O)c1cc(C)nc2ccccc12 3038617 XAUKSKSIFMDBJE-UHFFFAOYSA-N 228.295 2.683 0 50 BFAA CC[C@@H](NC(=O)C(C)C)c1ccccc1 5337474 NPPODLSBKBLBIM-GFCCVEGCSA-N 205.301 2.910 0 50 BFAA c1c[nH]c([C@@H]2CC[C@H](c3ccc[nH]3)N2)c1 6505280 VLQUYRGQWQGYCC-TXEJJXNPSA-N 201.273 2.509 0 50 BFAA O=c1cc[nH]c2c(C(F)(F)F)cccc12 8700922 UDRWADJLLWWJOE-UHFFFAOYSA-N 213.158 2.547 0 50 BFAA in-vitro CCCCC(=O)Nc1c(C)cccc1C(=O)O 13433083 VLYUGUVEQGQOPH-UHFFFAOYSA-N 235.283 2.822 0 50 BFAA c1ccc(CCn2nc3ccccc3n2)cc1 15772313 QQVPSSPGCBPRAO-UHFFFAOYSA-N 223.279 2.674 0 50 BFAA O=c1[nH]c2ccccc2c(-c2ccccc2)c1O 17221159 QSRVMXWVVMILDI-UHFFFAOYSA-N 237.258 2.901 0 50 BFAA biogenic,in-vitro Cc1ccc2c(c1)c1c(n2C)[C@@H](N)CCC1 32919569 GKOUYJRKUOSKPE-LBPRGKRZSA-N 214.312 2.823 0 50 BFAA in-vitro Cc1c(Br)ccc(N)c1Cl 39348283 DVANUDQKFCIAGT-UHFFFAOYSA-N 220.497 2.993 0 50 BFAA OC1(c2ccc(Br)cc2F)CC1 54346301 FCDZFCRLEFRQNA-UHFFFAOYSA-N 231.064 2.570 0 50 BFAA O=C(O)c1ccc(Cl)c(Cl)c1F 67802844 HLDZSXDWETXHLY-UHFFFAOYSA-N 209.003 2.831 0 50 BFAA Cc1nc(Cl)c2c(Br)c[nH]c2n1 82046540 XGBXHIJPFPEGBV-UHFFFAOYSA-N 246.495 2.682 0 50 BFAA in-vitro Cc1cc(C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)no1 104288923 XZTDGTZGCCWLJK-BJDJZHNGSA-N 248.326 2.538 0 50 BFAA CCCCCc1c(C)n(O)c2ccccc2[n+]1=O 150112367 JGNGECRPUQCRFE-UHFFFAOYSA-N 247.318 2.834 0 50 BFAA C[Si](C)(C)C1(COC(=O)C(F)(F)F)CC1 169829414 KRCAFFQASJRFJF-UHFFFAOYSA-N 240.297 2.964 0 50 BFAA Cc1ccnc(N[C@H](C)C[C@H](O)c2ccco2)c1 225527108 QCORGAKFCVDFRZ-NEPJUHHUSA-N 246.310 2.907 0 50 BFAA C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C(=O)O)o1 238853085 IHYYDFPEYUTJFS-XGEHTFHBSA-N 206.241 2.591 0 50 BFAA in-vitro CCc1nc(-c2ccc([C@@H](C)OC)cc2)nn1C 426429073 ZHMSCOPWPBGXGH-SNVBAGLBSA-N 245.326 2.752 0 50 BFAA CC(C)[C@H]1CCCN(c2ncnc3[nH]ccc23)C1 443999118 XUWOZQXXKXHVIZ-NSHDSACASA-N 244.342 2.830 0 50 BFAA Cc1ccc(NC(=O)N2CC3CCC2CC3)cn1 1320654226 DRFKRPZRVCMQAO-UHFFFAOYSA-N 245.326 2.796 0 50 BFAA O=C(NC1CC1)c1ccc2ncccc2c1Cl 2325815797 MCSHOHKHSJNCST-UHFFFAOYSA-N 246.697 2.780 0 50 BFAA CCSc1sc(CC)cc1C(N)=O 59881 WKVWTXWHPFKMAK-UHFFFAOYSA-N 215.343 2.521 0 50 BFAA O=C(COc1ccccc1)Nc1cccc(F)c1 128333 VTCNQCNGFQNSAO-UHFFFAOYSA-N 245.253 2.843 0 50 BFAA CN(C)c1ccc2c(c1)C(=O)c1ccccc1-2 409311 XSDSTTHDKZZVJZ-UHFFFAOYSA-N 223.275 2.964 0 50 BFAA Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)O 2388731 KORDNSZOFTZOCA-CMDGGOBGSA-N 242.278 2.587 0 50 BFAA CC(C)(C)c1cc(N)n(-c2cccc(F)c2)n1 2527283 IAVMYZXRASMAQF-UHFFFAOYSA-N 233.290 2.891 0 50 BFAA CC1(C)CCC[C@](C)(CCC(=O)O)C1=O 4829844 POPXOCJIEWEAFW-GFCCVEGCSA-N 212.289 2.637 0 50 BFAA Cc1cc(SCc2c(C)noc2C)ncn1 11903004 ROKHJFVYDKKVDA-UHFFFAOYSA-N 235.312 2.682 0 50 BFAA CN1C(=O)S/C(=C\C=C\c2ccco2)C1=O 12407050 OHCDKDLZVIVZAL-RXXVAJQJSA-N 235.264 2.502 0 50 BFAA c1ccc(CNc2nc3ccccc3[nH]2)nc1 20103294 QMTDYWBSMBOFPX-UHFFFAOYSA-N 224.267 2.570 0 50 BFAA Cc1ccc(Oc2c[n+]([O-])ccc2C)cc1 27986067 SHCMRWFDPLAMRI-UHFFFAOYSA-N 215.252 2.729 0 50 BFAA COc1c(C)cc(C[C@@H]2CCCNC2)cc1C 32099142 ZESQHEWDOKFKRT-ZDUSSCGKSA-N 233.355 2.854 0 50 BFAA COc1cc(Cl)c(C(=O)O)cc1Cl 34328193 VIMHPDKXVNPSTD-UHFFFAOYSA-N 221.039 2.700 0 50 BFAA in-vitro CCCn1cnc2c(Cl)nc(Cl)nc21 39019942 AXABRFYDCHAYBC-UHFFFAOYSA-N 231.086 2.543 0 50 BFAA CC(C)Nc1cc(Br)ccn1 65337558 NTYQEWSDJNVKAY-UHFFFAOYSA-N 215.094 2.664 0 50 BFAA in-vitro Cc1cc(C)c(CN(C)CC2(CO)CC2)cc1C 65526292 FTRPAUIERSIKMX-UHFFFAOYSA-N 247.382 2.816 0 50 BFAA Nc1nc2ccccc2cc1Br 75252878 CVEFDUOXWWDNET-UHFFFAOYSA-N 223.073 2.580 0 50 BFAA c1nc(N[C@@H]2CCCOCC2)c2ccsc2n1 182710894 JYCUITHLBKAQRE-SECBINFHSA-N 249.339 2.672 0 50 BFAA CCCCC[S@](=O)c1nc(C)cs1 191174561 AKZFPGKROZDSFH-ZDUSSCGKSA-N 217.359 2.749 0 50 BFAA Cc1cc(=O)c2c([nH]1)[C@H](C(C)C)CCC2 238794256 IFDHZPHUFBKXCK-JTQLQIEISA-N 205.301 2.759 0 50 BFAA C[C@H](N)[C@@H]1C[C@H]1c1ccccc1Br 242538958 JJRCPHOYTSNRQT-HGNGGELXSA-N 240.144 2.900 0 50 BFAA CCc1cc(NC(=O)[C@]2(C)CCOC2)ccc1C 347971024 WRDOCCALIQYITN-OAHLLOKOSA-N 247.338 2.923 0 50 BFAA CC[C@@H](NC(=O)N1CCCC1)c1cc(C)ccn1 584903221 ZUYAQYBSZSCELW-GFCCVEGCSA-N 247.342 2.647 0 50 BFAA CC(=O)[C@@H]1COc2c(C)cc(Cl)cc2C1 675063891 RYSMUGBVIUOONJ-JTQLQIEISA-N 224.687 2.789 0 50 BFAA O=C(O)c1ccc(-c2ccc(C(=O)O)cc2)cc1 134079 NEQFBGHQPUXOFH-UHFFFAOYSA-N 242.230 2.750 0 50 BFAA in-vitro COc1ccc(Br)c(C)c1 395496 BLZNSXFQRKVFRP-UHFFFAOYSA-N 201.063 2.766 0 50 BFAA biogenic,in-vitro CC(=O)NC1c2ccccc2-c2ccccc21 395878 VQFOESRCDRTBKL-UHFFFAOYSA-N 223.275 2.893 0 50 BFAA CCOc1ccc(C(F)(F)F)cc1N 1058636 LIQQEMLFIDADRH-UHFFFAOYSA-N 205.179 2.686 0 50 BFAA in-vitro Cc1cccc(-n2cnc3cc(N)ccc32)c1 1431382 VFSVFGIODYZMOF-UHFFFAOYSA-N 223.279 2.916 0 50 BFAA in-vivo CCOP(=O)(OCC)c1ccccc1 1687161 VZEGPPPCKHRYGO-UHFFFAOYSA-N 214.201 2.578 0 50 BFAA CCCCC[C@@H]1COCC[C@@H]1OC(C)=O 2166745 VSRVCSJJKWDZSH-NEPJUHHUSA-N 214.305 2.535 0 50 BFAA COc1ccccc1-c1csc(C=O)n1 2582752 IGGUMKNXVIVDKI-UHFFFAOYSA-N 219.265 2.631 0 50 BFAA in-vitro CCCCc1nc2ccc(C(=O)OC)cc2o1 4073071 GIQTXUQSKWOABP-UHFFFAOYSA-N 233.267 2.957 0 50 BFAA CNCc1sc(-c2ccccc2)nc1C 4271708 GFAGRBRYZWAUSV-UHFFFAOYSA-N 218.325 2.838 0 50 BFAA in-vitro C[C@H](NC(=O)c1ccccc1F)c1ccncc1 6125120 AKUHURJFCOTJAK-JTQLQIEISA-N 244.269 2.712 0 50 BFAA CCOCCC(=O)N(CC)C1CCCCC1 6690935 KJQIJGXBKBKFBE-UHFFFAOYSA-N 227.348 2.594 0 50 BFAA S=c1nc2[nH]c3cc(Cl)ccc3c2n[nH]1 15220369 DSTKHZIZURCMKF-UHFFFAOYSA-N 236.687 2.822 0 50 BFAA CC[C@@H](C)N1CCN(Cc2cccc(C)c2)CC1 19789446 GMPMIXCTLDGIMM-OAHLLOKOSA-N 246.398 2.911 0 50 BFAA COc1ccc2c(Cl)nc(Cl)nc2c1 26894499 DJLGBZOLTZXCHN-UHFFFAOYSA-N 229.066 2.945 0 50 BFAA in-vitro C[C@@H](N)c1ccc(Br)cc1F 35090679 BRPFKIPSXUHGSH-RXMQYKEDSA-N 218.069 2.608 0 50 BFAA in-vitro O=C(O)[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 43388973 WLBMRAWVMMPUAI-NKWVEPMBSA-N 214.623 2.667 0 50 BFAA CCN1C[C@@H](COc2cc(C)cc(C)c2)OC1=O 71773770 QKOVRSSEGHILAS-ZDUSSCGKSA-N 249.310 2.523 0 50 BFAA COc1cc(-c2cnc(N)cc2C)c(Cl)cn1 96151277 IKUQOMBFMMJZQO-UHFFFAOYSA-N 249.701 2.696 0 50 BFAA C[C@@H]1CCC[C@@H](C(=O)N2C[C@H]3CC[C@H]2C3)C1 246846528 KDUUFGPDRQLGHN-XQHKEYJVSA-N 221.344 2.824 0 50 BFAA CC[C@@H]1CNCc2ccc(Cl)cc2O1 299789426 WLQFFOZDFLJKNF-SNVBAGLBSA-N 211.692 2.601 0 50 BFAA C[C@@H]1CC[C@@H](C)N1C(=O)CCC(F)(F)F 336035168 PDYFWLBWNPVSSQ-HTQZYQBOSA-N 223.238 2.728 0 50 BFAA O=C(N[C@H]1CC=CCC1)[C@@H]1CC12CCCC2 336346842 BRJIQGRHOJNZJJ-RYUDHWBXSA-N 219.328 2.792 0 50 BFAA FC(F)CSc1nncc2ccccc12 336481613 JGZXMCGCOJIPID-UHFFFAOYSA-N 226.251 2.987 0 50 BFAA C=CC(=O)Nc1cccc(C(=O)CCC)c1 1875368261 DIYSAYYIVIEWDJ-UHFFFAOYSA-N 217.268 2.794 0 50 BFAA COC(=O)c1ccc(N2CCCC2)cc1Cl 168125 CSBLQYDWEPLAOP-UHFFFAOYSA-N 239.702 2.727 0 50 BFAA in-vitro Cc1ccc([C@H](C)NC(=O)C2CC2)c(C)c1 2765886 UFCODLRYDPFTLH-NSHDSACASA-N 217.312 2.891 0 50 BFAA CCNCCOc1ccccc1C(C)C 6703498 KNJPVKYSXBCJNH-UHFFFAOYSA-N 207.317 2.798 0 50 BFAA CN1CCC(c2c[nH]c3ccccc23)CC1 13731859 KYSCKYJNMTUJPA-UHFFFAOYSA-N 214.312 2.977 0 50 BFAA in-vitro CC(C)(C)OC(=O)N1CCc2cc(N)ccc21 14000349 JSNLQWAGJJGYOB-UHFFFAOYSA-N 234.299 2.566 0 50 BFAA in-vitro CCN(CC)CCN(C)[C@H]1CCC[C@H](C)C1 22045098 YDPGOMKMVCAXNB-KBPBESRZSA-N 226.408 2.839 0 50 BFAA COc1cccc(Oc2cccnc2)c1 27103595 JUGNWSFUTYKWTO-UHFFFAOYSA-N 201.225 2.883 0 50 BFAA CC(C)(C)OC(=O)n1cc(C=O)c2cccnc21 36449813 GFZQRKMUXOECFL-UHFFFAOYSA-N 246.266 2.632 0 50 BFAA in-vitro COC(=O)c1ccc(C)c(C(F)(F)F)c1 47202442 LXUTXZRWQVCTTR-UHFFFAOYSA-N 218.174 2.800 0 50 BFAA in-vitro Cc1ccccc1-c1nc(CC(=O)O)c(C)o1 49632717 AFOAOGLVBRSFAT-UHFFFAOYSA-N 231.251 2.586 0 50 BFAA COc1c(F)ccc(Br)c1F 75915369 RXNZFRZJZNMBBJ-UHFFFAOYSA-N 223.016 2.736 0 50 BFAA in-vitro Cc1ccnc(NCCCOC2CCCCC2)n1 95391278 QUWJONHZKMYOCS-UHFFFAOYSA-N 249.358 2.936 0 50 BFAA COC(=O)c1ccnc(-c2ccc(F)cc2F)c1 97743319 FYHAXSZDRBOYBQ-UHFFFAOYSA-N 249.216 2.813 0 50 BFAA CC(C)c1noc([C@@H]2CCC(=O)C[C@H]2C)n1 162579565 BJTDUZVYEIXDIB-PSASIEDQSA-N 222.288 2.666 0 50 BFAA Cn1nccc1C1CCN([C@H]2C=CCCC2)CC1 171735989 RHFNVNSYACVFEW-AWEZNQCLSA-N 245.370 2.708 0 50 BFAA CC1CCN(C(=O)C2[C@H]3[C@H]4CC[C@@H](C4)[C@H]23)CC1 225270413 ZTXKNOMVBZDBOE-CYDGBPFRSA-N 233.355 2.537 0 50 BFAA CCc1cc(NC(=O)C[C@H]2CCOC2)ccc1C 349058123 POSNFGGZSBKTNP-GFCCVEGCSA-N 247.338 2.923 0 50 BFAA CCC(CC)NCc1c(F)cncc1F 685946088 JJZCFMXIUXGONE-UHFFFAOYSA-N 214.259 2.638 0 50 BFAA CCCc1cncnc1NCC[C@H]1CCCOC1 823015095 FAMBEVMMMJENLA-GFCCVEGCSA-N 249.358 2.658 0 50 BFAA C=CC(=O)Nc1ccnc(OC2CCCCC2)c1 888098795 QFCZDBYASLWVSN-UHFFFAOYSA-N 246.310 2.918 0 50 BFAA Cc1ccnc(NCc2cccc3[nH]ccc23)n1 1307193440 BDUNKVOAUJPHBC-UHFFFAOYSA-N 238.294 2.878 0 50 BFAA C=CC(=O)NC[C@]1(C)CC[C@H](C)C1(C)C 1338395958 ZYIOGBLHDLQRIV-GWCFXTLKSA-N 209.333 2.751 0 50 BFAA CC1(C)CCc2nnc(-c3ccoc3)n2C1 1616037380 ACBDXFXNOCIOEQ-UHFFFAOYSA-N 217.272 2.511 0 50 BFAA c1cn(C[C@H]2CCOC2)c(C2CCCC2)n1 1875247542 JJWLFSDKFIZVNA-LLVKDONJSA-N 220.316 2.577 0 50 BFAA C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2F)C1 29731 ISFAADVEKICCHK-QWRGUYRKSA-N 235.302 2.944 0 50 BFAA COc1ccc([C@@H]2CCCC[C@H]2O)cc1OC 1431470 WJLUOTSDBABMCM-NWDGAFQWSA-N 236.311 2.722 0 50 BFAA OCc1ccccc1Oc1ccccc1 2146968 VMZBMTWFHYYOIN-UHFFFAOYSA-N 200.237 2.971 0 50 BFAA in-vitro COCCOC(=O)Nc1ccc(Cl)cc1 2171685 SWSFOCYATDVBLK-UHFFFAOYSA-N 229.663 2.535 0 50 BFAA C[C@@H]1CC[C@@H](N(C)CCc2ccccn2)C1 2296891 YKOLEEBTTJYMEP-TZMCWYRMSA-N 218.344 2.745 0 50 BFAA CCN(CC)CCCSCCN(CC)CC 3200716 BAENCADOBIXALK-UHFFFAOYSA-N 246.464 2.793 0 50 BFAA Fc1ncccc1-c1ccc(Cl)cn1 12359396 SYJPQVCWWIZERQ-UHFFFAOYSA-N 208.623 2.936 0 50 BFAA COC(=O)c1c(OC)cccc1C(F)(F)F 47202410 XAUHZLYOSGULKW-UHFFFAOYSA-N 234.173 2.501 0 50 BFAA Cc1cc(Br)cc(Cl)n1 71250732 VZKVJDPXLSTENW-UHFFFAOYSA-N 206.470 2.806 0 50 BFAA in-vitro CCOc1ccc(Br)c(OC)c1 116878434 AQTLEGYFKJSAIT-UHFFFAOYSA-N 231.089 2.856 0 50 BFAA CCc1cnc(NC(=O)[C@H]2CC2(C)C)s1 152426094 BTOBJSPFGHEVLZ-MRVPVSSYSA-N 224.329 2.690 0 50 BFAA O=C1CCc2ccc(OCC3CCC3)cc21 166315683 HBOIYWLQJBTKCF-UHFFFAOYSA-N 216.280 2.994 0 50 BFAA CC(C)c1nc(-c2nccn2C)cs1 307477011 CQIXFKJWQVNHQW-UHFFFAOYSA-N 207.302 2.667 0 50 BFAA Cc1ccnc(CNc2cccc(F)c2)n1 309705325 OGWDESXCFOZZMB-UHFFFAOYSA-N 217.247 2.536 0 50 BFAA O=C(Nc1nccs1)[C@H]1CCC[C@H](F)C1 335106670 BTXIJIZEWXAKDT-YUMQZZPRSA-N 228.292 2.610 0 50 BFAA c1nc(C2CCN(Cc3ccsc3)CC2)no1 670465630 QKXJKWNKNIPOCT-UHFFFAOYSA-N 249.339 2.511 0 50 BFAA C=CC(=O)N1CCC[C@@H](c2ccccc2)C1 863970196 DQAPLXVJYGDWQZ-CYBMUJFWSA-N 215.296 2.579 0 50 BFAA COc1cc(Cl)c(NC(C)=O)c(Cl)c1 109727 YMDULTGLSDMTFL-UHFFFAOYSA-N 234.082 2.960 0 50 BFAA in-vitro CCC[C@]1(C)N=C(S)N(c2ccccc2)N1 220299 QKKUXAIKMXQCLZ-GFCCVEGCSA-N 235.356 2.813 0 50 BFAA COc1c2occc2c(O)c2c(=O)cc(C)oc12 519020 GEYVZPGXYUDRSN-UHFFFAOYSA-N 246.218 2.562 0 50 BFAA biogenic O=Cc1ccc(-c2cccc(CO)c2)cc1 1258309 WOYJUJLJMNXBOS-UHFFFAOYSA-N 212.248 2.658 0 50 BFAA Oc1ccc(OC(F)(F)F)cc1Cl 2540209 LSTYNKXVEMLNBE-UHFFFAOYSA-N 212.554 2.944 0 50 BFAA in-vitro CCC(=O)Nc1ccc(OC(C)C)cc1 3163471 HCZZGQIEXQFZIH-UHFFFAOYSA-N 207.273 2.822 0 50 BFAA CC(C)N[C@H](C)[C@H](O)c1ccc2c(c1)CCCC2 3684563 VSWXRQMTEJGBTC-WBMJQRKESA-N 247.382 2.985 0 50 BFAA CC[C@]1(c2ncc[nH]2)Cc2ccccc2O1 3995472 JCWVNNMJXQJVNC-CYBMUJFWSA-N 214.268 2.650 0 50 BFAA in-vitro Cc1cc(C(F)(F)F)c2c(C)noc2n1 4541890 MKECJHYDHYAUTK-UHFFFAOYSA-N 216.162 2.858 0 50 BFAA CC[C@H](NC(=O)[C@H]1C[C@@H]1C)c1ccccc1 6726775 YMQQSDJUYGKVDD-DRZSPHRISA-N 217.312 2.910 0 50 BFAA O=c1cc[nH]c2cc(C(F)(F)F)ccc12 8577701 OWPLFJSQLPTCHS-UHFFFAOYSA-N 213.158 2.547 0 50 BFAA in-vitro Cc1cc(C)cc(C(=O)Nc2ccon2)c1 13745722 ZXFUOHZKNLVICV-UHFFFAOYSA-N 216.240 2.544 0 50 BFAA CC[C@@H](CO)NCc1cn(CC)c2ccccc12 20935025 RHBHXDSULNCMPD-ZDUSSCGKSA-N 246.354 2.522 0 50 BFAA COC(=O)c1cc2c(Cl)nc(Cl)cc2[nH]1 30677890 UTSLJBDIAXLXSH-UHFFFAOYSA-N 245.065 2.656 0 50 BFAA NCCc1ccccc1-c1ccc2c(c1)OCO2 67641185 NWJLCBANLZBMGW-UHFFFAOYSA-N 241.290 2.584 0 50 BFAA CCCN(C)C(=O)c1csc(Cl)c1 189195951 CLFUSGVNQASJHN-UHFFFAOYSA-N 217.721 2.884 0 50 BFAA CC1CCN(C(=O)C2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)CC1 225270489 ZTXKNOMVBZDBOE-WUHRBBMRSA-N 233.355 2.537 0 50 BFAA Fc1ccc2c([C@@H]3CCOC3)c[nH]c2c1 255190290 WFFDVZWPNGKFKX-MRVPVSSYSA-N 205.232 2.811 0 50 BFAA Cc1cc(CN2CCC[C@H]2c2cccnc2)on1 336397995 NYXYISYCJDIVCI-AWEZNQCLSA-N 243.310 2.715 0 50 BFAA O=C(/C=C/C1CCC1)Nc1ccc(F)nc1 492179792 IKRPHWMFQXAVNT-QPJJXVBHSA-N 220.247 2.516 0 50 BFAA CC1(n2cnc3cccc(Cl)c3c2=O)CCC1 584897912 VFIMNFMUAQCOSM-UHFFFAOYSA-N 248.713 2.949 0 50 BFAA C[C@H]1CC(C)(C)O[C@H](C(C)(C)CN(C)C)O1 171822 ISIJXVZVUKMGND-WDEREUQCSA-N 229.364 2.504 0 50 BFAA biogenic CN1CCC(NCc2cccc(Cl)c2)CC1 279896 AJVIFRCZRIRWPP-UHFFFAOYSA-N 238.762 2.524 0 50 BFAA COc1c(Cl)cc(C=O)cc1Br 2597447 JUDGICQPFOAWBS-UHFFFAOYSA-N 249.491 2.924 0 50 BFAA biogenic,in-vitro C[C@@H]1CC[C@H](N(C)C[C@H](O)c2ccccc2)C1 4021584 FEKLTCGMTHGFNP-SNPRPXQTSA-N 233.355 2.840 0 50 BFAA Cc1n[nH]c2c1C(=O)C[C@@H](c1ccccc1)C2 5322393 YZTNVMBGBSOLFL-NSHDSACASA-N 226.279 2.631 0 50 BFAA CCCNC(=O)[C@@H](C)Oc1ccc(C)cc1C 8492888 HOZWNKRLSWLFMJ-GFCCVEGCSA-N 235.327 2.597 0 50 BFAA Nc1nc2c(F)cc(Br)cc2s1 12937701 UTJKGZXNIBEVEF-UHFFFAOYSA-N 247.092 2.780 0 50 BFAA Cc1nc(N2CCCCCC2)sc1C(=O)O 20156571 YCRUVXKIIACRBR-UHFFFAOYSA-N 240.328 2.530 0 50 BFAA CSc1nc2nccc(-c3cccs3)n2n1 57530968 OLXXFIKBIUOMOQ-UHFFFAOYSA-N 248.336 2.575 0 50 BFAA CCC1=NC[C@@H]2c3cccc(OC)c3O[C@@]12C 96027955 HLFISRJGUDVBPT-QMTHXVAHSA-N 231.295 2.795 0 50 BFAA COC(=O)N1CCCC(=O)c2cc(C)cc(C)c21 113143953 LJLULFIFHATTHI-UHFFFAOYSA-N 247.294 2.853 0 50 BFAA in-vitro Fc1cnc2c(Br)ccnc2c1 147641093 QNHBMLLXIUAMIV-UHFFFAOYSA-N 227.036 2.531 0 50 BFAA in-vitro COC(C)(C)C[C@@H](C)NC(=O)c1ccc(C)o1 173815303 MDKXWTZDEKGTKJ-SECBINFHSA-N 239.315 2.521 0 50 BFAA CCOC[C@H]1CCCN1Cc1ccc(CC)cn1 215959753 FHOZDGRQZWTQPW-OAHLLOKOSA-N 248.370 2.645 0 50 BFAA Cc1nocc1CNc1ccc(F)cc1F 334447094 HRIJLCCAROTXFH-UHFFFAOYSA-N 224.210 2.873 0 50 BFAA CCc1nn(C)cc1-c1cccc(OC)c1OC 426602540 QVNOHIUBQQBODO-UHFFFAOYSA-N 246.310 2.667 0 50 BFAA c1ccc2c(c1)[nH]c1ncnc(N3CCCC3)c12 450207788 HOWLTILQRGWJSJ-UHFFFAOYSA-N 238.294 2.711 0 50 BFAA C/C=C/C(=O)NCCc1ccc(OC(C)C)cc1 585145592 MLRODTPZFHWUDA-SNAWJCMRSA-N 247.338 2.709 0 50 BFAA CCn1nc(C)cc1-c1ccncc1C 685943581 FACVNYXRVNFUTE-UHFFFAOYSA-N 201.273 2.582 0 50 BFAA FC(F)Oc1ccc(-c2ccnnc2)cc1 1242055997 RAGPXXHAIGRGFJ-UHFFFAOYSA-N 222.194 2.745 0 50 BFAA C=CC(=O)N(C)C1CCC(C(C)C)CC1 1616034915 FECGILDOXGDVJZ-UHFFFAOYSA-N 209.333 2.846 0 50 BFAA CCCc1cnc(C)nc1N1C[C@@H]2C[C@]2(C)C1 1772807556 PAVDFFXXQQKFLK-GXTWGEPZSA-N 231.343 2.584 0 50 BFAA C=CC(=O)NC1C[C@@H]2CCCCC[C@H]2C1 1775997749 KXHJYOIWBHLXMA-QWRGUYRKSA-N 207.317 2.648 0 50 BFAA c1ccc(-c2nccn2C[C@H]2CCOC2)cc1 1875241137 PAJGZKNBLFNRPV-GFCCVEGCSA-N 228.295 2.587 0 50 BFAA Cc1nn(C(C)C)cc1-c1cnsc1 1875267543 NXJIJMRZAWDUSJ-UHFFFAOYSA-N 207.302 2.896 0 50 BFAA CN(Cc1cccc2ncccc12)C(=O)C1CC1 2325757506 OASASRPHVZIZOI-UHFFFAOYSA-N 240.306 2.603 0 50 BFAA CC(=O)Oc1ccc2ccc(OC(C)=O)cc2c1 291442 VRMXWHJBWOVBEJ-UHFFFAOYSA-N 244.246 2.690 0 50 BFAA COc1ccc(NC(=S)SC)cc1OC 307432 BJMUREXLSZHDJD-UHFFFAOYSA-N 243.353 2.764 0 50 BFAA COC(=O)[C@H](C)CSc1ccccc1 396237 GLYXACFPCLUSBA-SECBINFHSA-N 210.298 2.588 0 50 BFAA CC(C)NC(=O)Nc1ccccc1Cl 396319 SVBJJVCHSIPCIM-UHFFFAOYSA-N 212.680 2.870 0 50 BFAA COCC(=O)Nc1ccccc1-c1ccccc1 458194 COZHUIYQMKYQFQ-UHFFFAOYSA-N 241.290 2.939 0 50 BFAA Cc1cc(Cl)c2cc3c(cc2n1)OCO3 1575238 FMBGYAMLOKMHFK-UHFFFAOYSA-N 221.643 2.925 0 50 BFAA in-vitro Cc1cc(C(C)(C)C)cc(S(=O)(=O)O)c1C 1926448 IGQIJTWNNATKNH-UHFFFAOYSA-N 242.340 2.848 0 50 BFAA O=C(Nc1ccc2c(c1)OCO2)C1CCCC1 2621593 SYNSLYSOEPQFAB-UHFFFAOYSA-N 233.267 2.544 0 50 BFAA COc1ccccc1-c1ccc(O)c(C(=O)O)c1 4312758 WKDHEUXXWGRVQX-UHFFFAOYSA-N 244.246 2.766 0 50 BFAA CCN(CC)c1ccc(NC(=O)OC)cc1 4881786 HDMCTFUAMMRRKE-UHFFFAOYSA-N 222.288 2.711 0 50 BFAA CC(C)(C)NC(=O)COc1cccc(Cl)c1 5379639 GETONELJKSXERD-UHFFFAOYSA-N 241.718 2.634 0 50 BFAA O=C(O)c1ccn(C23CC4CC(CC(C4)C2)C3)n1 5889190 APQHVGWCECSJTN-UHFFFAOYSA-N 246.310 2.507 0 50 BFAA CC[C@H](Oc1cc(C)cc(C)c1)C(=O)O 6048912 CEMWDKOEAHBYQZ-NSHDSACASA-N 208.257 2.545 0 50 BFAA in-vitro CSCCCNC(=S)Nc1ccccc1 7522702 KRIODUFZQNRHAG-UHFFFAOYSA-N 240.397 2.726 0 50 BFAA CC(C)NCc1ccccc1Br 8722918 NFLHVGAIJGWPQT-UHFFFAOYSA-N 228.133 2.947 0 50 BFAA C[C@H]1CN=C(Nc2ccc(N(C)C)cc2)S1 12341400 GRFZECBQOVYTMH-VIFPVBQESA-N 235.356 2.656 0 50 BFAA Cc1ccccc1CC[C@@H]1CCCNC1 41212149 JIKJTOIYQGHELA-ZDUSSCGKSA-N 203.329 2.927 0 50 BFAA C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)O 43512207 KOPLOHWBAJQCOI-SSDOTTSWSA-N 232.201 2.969 0 50 BFAA in-vitro Brc1cccc2c1OCCCN2 62529599 SJLNUGPHNXHFER-UHFFFAOYSA-N 228.089 2.644 0 50 BFAA in-vitro O=C(O)[C@]12CC=CC[C@@H]1Cc1ccccc12 71773120 JVYUXASPSRCULN-BXUZGUMPSA-N 214.264 2.531 0 50 BFAA COC(=O)c1ccc(Oc2cccc(C)n2)cc1 86577272 SFLKSJMWGPXBRG-UHFFFAOYSA-N 243.262 2.969 0 50 BFAA Cc1cccc(-n2ncc3c2CCC[C@@H]3N)c1C 91693931 ZTYYBMKATULDIH-ZDUSSCGKSA-N 241.338 2.825 0 50 BFAA O=C1Nc2ccccc2/C1=C/c1ccc[cH-]1 100765432 HUQXQEHJCBFGJX-XFXZXTDPSA-N 208.240 2.898 0 50 BFAA in-vitro CC(C)[C@H]1CC[C@H](C)CCN1C(=O)c1cc[nH]n1 117207345 QPXKETNWBMTTCQ-WCQYABFASA-N 249.358 2.697 0 50 BFAA CC(=O)Nc1ccccc1-c1ccc(N)cc1 221930663 PQIFOTHSKBUPLJ-UHFFFAOYSA-N 226.279 2.894 0 50 BFAA CCN1C(=O)N[C@H]2C[C@@]1(C)Oc1ccc(C)cc12 233495838 YMOJUHLASPZPQX-SMDDNHRTSA-N 246.310 2.580 0 50 BFAA Nc1nc(Cl)c2c(Cl)cccc2n1 238591511 QLEMYPFWFAXCLJ-UHFFFAOYSA-N 214.055 2.519 0 50 BFAA Cc1cc(C)nc(CO[C@@H](C)Cc2ncc[nH]2)c1 901528705 PBERIUDDUBKNTE-LBPRGKRZSA-N 245.326 2.569 0 50 BFAA CCn1ncc(-c2c(OC)cccc2OC)c1C 2356139968 OEOLGNUPCJNNGZ-UHFFFAOYSA-N 246.310 2.896 0 50 BFAA CC1CCN(C(=O)c2ccc(F)c(F)c2)CC1 88937 FJYSPQMJFWVGNN-UHFFFAOYSA-N 239.265 2.837 0 50 BFAA O=C(O)[C@H]1CC=CC[C@@H]1C(=O)c1ccccc1 323274 JJALHZDTTJJYCI-RYUDHWBXSA-N 230.263 2.536 0 50 BFAA Cc1ccccc1S(=O)(=O)c1ccccc1 348820 UJHQTIAOYSYPHZ-UHFFFAOYSA-N 232.304 2.828 0 50 BFAA CCOC(=O)C=C(C(F)(F)F)C(F)(F)F 2168559 CULZFNOUPBWSIZ-UHFFFAOYSA-N 236.111 2.601 0 50 BFAA COc1ccc(OCCNC2CCCC2)cc1 2191189 VYGHFOKYUJWUIB-UHFFFAOYSA-N 235.327 2.606 0 50 BFAA O=C(CCCOc1ccccc1)N1CCCCC1 2739627 JYQLTFKPZPHOIH-UHFFFAOYSA-N 247.338 2.858 0 50 BFAA Cc1nnc(NC23CC4CC(CC(C4)C2)C3)o1 4020884 FQENNNCAGUVRKT-UHFFFAOYSA-N 233.315 2.759 0 50 BFAA CCOc1ccc(N)cc1C(F)(F)F 6678521 YAIGBJRRAPBODW-UHFFFAOYSA-N 205.179 2.686 0 50 BFAA in-vitro NC[C@@H]1CCN(c2cccc3ccccc23)C1 12404781 DGPOILQADQPEOY-LBPRGKRZSA-N 226.323 2.625 0 50 BFAA in-vitro COc1ccc(N[C@@H]2CCSC2)cc1 19964703 OFHXGSLBJLPLFQ-SNVBAGLBSA-N 209.314 2.613 0 50 BFAA CS(=O)(=O)n1c2ccccc2c2ccccc21 39171306 WANZPOQEQVYVEZ-UHFFFAOYSA-N 245.303 2.602 0 50 BFAA O=C1CCCc2nc(Cl)cc(Cl)c21 141598245 CSRAYLSWTFMAPH-UHFFFAOYSA-N 216.067 2.907 0 50 BFAA O=C(O)c1cc2cc(-c3ccccc3)ccn2n1 149618116 USHKOEXEVCPHAC-UHFFFAOYSA-N 238.246 2.700 0 50 BFAA OCc1c(F)ccc(Br)c1Cl 169795923 PGKSLPNFKYEKDJ-UHFFFAOYSA-N 239.471 2.734 0 50 BFAA C[C@H](C(=O)O)N1CCC[C@@](C)(c2ccccc2)C1 237413349 FEHPBDRDMSFMQL-IUODEOHRSA-N 247.338 2.513 0 50 BFAA Cc1ccc2oc(NC[C@H]3CCCN3C)nc2c1 265171512 YTBDYAUOKWQFTP-LLVKDONJSA-N 245.326 2.642 0 50 BFAA Cc1ccc2ncnc(N3CCC(F)(F)C3)c2c1 334964290 FIAXDKNRGQTJSX-UHFFFAOYSA-N 249.264 2.784 0 50 BFAA COc1cccnc1-c1ccc(CN(C)C)cc1 426690743 TYTSFIITISROHQ-UHFFFAOYSA-N 242.322 2.819 0 50 BFAA CCN(CC)C[C@@H](C)C(=O)Nc1ccc(C)cc1 670421062 GDZXPKYCZJUIFH-CYBMUJFWSA-N 248.370 2.911 0 50 BFAA Cc1ccc2cnn(C)c2c1Br 694957743 HWIRPUMMASRCRK-UHFFFAOYSA-N 225.089 2.644 0 50 BFAA CCc1c(Cl)nc2cc(C)cc(C)n2c1=O 725245660 XBUQQBRPQCGOFD-UHFFFAOYSA-N 236.702 2.527 0 50 BFAA C=CC(=O)N1CCC[C@H]1c1ccc(C)s1 952888231 PDUIDFUYEFLFQZ-JTQLQIEISA-N 221.325 2.906 0 50 BFAA Fc1cccc(-c2cc(-c3cc[nH]n3)on2)c1 2325776406 JLKOGRKLXWSPTF-UHFFFAOYSA-N 229.214 2.871 0 50 BFAA COc1ccccc1OC(=O)Cc1ccccc1 352 KNVYLIIBQXVDKC-UHFFFAOYSA-N 242.274 2.843 0 50 BFAA endogenous,in-man O=C(O)C12CC3(F)CC(F)(CC(F)(C3)C1)C2 17187 QBRDOUHHJWRTHN-UHFFFAOYSA-N 234.217 2.564 0 50 BFAA O=C(O)c1cccc(NC(=O)c2ccccc2)c1 98489 WXTOAZQBWHSIQN-UHFFFAOYSA-N 241.246 2.637 0 50 BFAA in-vitro Nc1ccc(Oc2ncccn2)c(Cl)c1 168665 YCDMLCQFVZCCBZ-UHFFFAOYSA-N 221.647 2.505 0 50 BFAA Cc1cccc(NC(=O)CCN2CCCCC2)c1 176286 KEDLKLNCNRMATR-UHFFFAOYSA-N 246.354 2.810 0 50 BFAA COC(=O)c1cc(Cl)nc2ccccc12 259596 TZKVCCWVZWZXKK-UHFFFAOYSA-N 221.643 2.675 0 50 BFAA in-vitro O=C(c1ccc(Cl)cc1)N1CCCC1 335584 DDDOTKBSNHPPNT-UHFFFAOYSA-N 209.676 2.576 0 50 BFAA in-vitro CC[C@@H](C)NC(=O)c1cc(C)ccc1C 514727 DVDUWQXQKKZIAS-LLVKDONJSA-N 205.301 2.832 0 50 BFAA Brc1ccc[n+](Cc2ccccc2)c1 1719767 NGDQMQBJVDRLRL-UHFFFAOYSA-N 249.131 2.785 0 50 BFAA CCCCNC(=O)Nc1cc(F)ccc1F 2167768 PWIZHXDLCYNBFC-UHFFFAOYSA-N 228.242 2.886 0 50 BFAA O=C(O)CCc1ccc(C(F)(F)F)cc1 2568256 OEIUMLSCWINLBB-UHFFFAOYSA-N 218.174 2.723 0 50 BFAA O=C(O)c1cc2cccc(Br)c2[nH]1 2568834 ZKGMXVLKFBRKNN-UHFFFAOYSA-N 240.056 2.629 0 50 BFAA in-vitro CCc1ccc2[nH]c(C)c(CC(=O)O)c2c1 2582689 RCHPIUXYDSGZFY-UHFFFAOYSA-N 217.268 2.666 0 50 BFAA in-vitro CCOC(=O)[C@H](C)Oc1ccc2c(c1)CCC2 2731987 WEMKCYKPXXBMFS-JTQLQIEISA-N 234.295 2.506 0 50 BFAA CC[C@@H](NC(=O)c1ccccn1)c1ccccc1 4783738 PAXGZHDLMSJCFZ-CYBMUJFWSA-N 240.306 2.963 0 50 BFAA CCN(CC)C(=O)NCc1ccc(C)cc1 4834687 BXLZTIPSHXJKJQ-UHFFFAOYSA-N 220.316 2.546 0 50 BFAA Nc1ncc(Cc2ccc(F)c(F)c2)s1 12505775 HVSCSXQMDYDCSA-UHFFFAOYSA-N 226.251 2.594 0 50 BFAA in-vitro CC[C@H](C)NC(=O)NCc1ccc(C)cc1 13746309 WYOUKHKMKZLADU-NSHDSACASA-N 220.316 2.593 0 50 BFAA Cc1cc(C)cc(C(=O)N[C@H](C)[C@@H]2CCCO2)c1 16604687 MFDLETVRXNHKDX-OCCSQVGLSA-N 247.338 2.601 0 50 BFAA CC(C)N[C@H](C)[C@H](O)c1cccc2c1CCCC2 17246316 VKOGIFHBTYBZBN-WBMJQRKESA-N 247.382 2.985 0 50 BFAA CC(C)NC(=O)c1cccc(-n2cccc2)c1 17300961 DSIKRZZGFBTVMR-UHFFFAOYSA-N 228.295 2.616 0 50 BFAA O=C(O)CCc1cc(Br)cs1 36893435 GFJOYHSZJIBUIO-UHFFFAOYSA-N 235.102 2.528 0 50 BFAA in-vitro Cc1nc[nH]c1-c1c(-c2ccccc2)ncn1C 67605127 ZWQHETODQRATNV-UHFFFAOYSA-N 238.294 2.786 0 50 BFAA CN(C)Cc1c(F)cccc1Br 85476869 AVDFQNYYGAIMAO-UHFFFAOYSA-N 232.096 2.650 0 50 BFAA in-vitro CC1(c2ccc(Br)cc2)COC1 96372400 PJUDQBGOXZAYIJ-UHFFFAOYSA-N 227.101 2.737 0 50 BFAA in-vitro Cc1ccc(CNCc2cc[nH]n2)cc1Cl 225502709 SPILZFBMSCWDRF-UHFFFAOYSA-N 235.718 2.661 0 50 BFAA Cc1cc(CN)cc(NC(=O)OC(C)(C)C)c1 257971951 BYIXVECTQBFJAP-UHFFFAOYSA-N 236.315 2.801 0 50 BFAA O=C(O)C1=C(C(=O)O)CCCCCCCCC1 263626424 FKHATRCAUQNRCE-UHFFFAOYSA-N 240.299 2.977 0 50 BFAA Cc1ccccc1[C@@H]1C[C@@H](C)N([C@H](C)C(=O)O)C1 265779402 ISUZEUDDYACWPR-JHJVBQTASA-N 247.338 2.646 0 50 BFAA CCc1onc(-c2ccc(C)o2)c1C(=O)O 675057789 PFKKOACAHOZYGQ-UHFFFAOYSA-N 221.212 2.504 0 50 BFAA CCC[C@H]1CCC(=O)C[C@H]1n1cccn1 725360898 KXQOGFZWZWWHDL-CMPLNLGQSA-N 206.289 2.594 0 50 BFAA C=CC(=O)N1CCC[C@@H](Cc2ccccc2)C1 820436529 BFDAMDWWMOOMHC-AWEZNQCLSA-N 229.323 2.654 0 50 BFAA c1csc(-c2nccn2[C@H]2CCSC2)n1 1875240185 KWMUHDQNRMFFPK-QMMMGPOBSA-N 237.353 2.685 0 50 BFAA Cc1ccncc1NC(=O)C[C@@]12CCC[C@H]1C2 1875312375 ZVPGUVBZPWGJPX-FZMZJTMJSA-N 230.311 2.909 0 50 BFAA O=C(Nc1cccc2nsnc12)c1ccco1 104082 DITCUMMKUXZFIY-UHFFFAOYSA-N 245.263 2.537 0 50 BFAA Cc1ccccc1NC(=O)N1C[C@H](C)O[C@@H](C)C1 396867 GQXRSWYTAIVGBK-RYUDHWBXSA-N 248.326 2.636 0 50 BFAA Cc1ccc(CC(=O)Nc2cccc(C)n2)cc1 465715 NNEZNNTWTRUGQP-UHFFFAOYSA-N 240.306 2.880 0 50 BFAA O=Cc1cc(Cc2ccccc2)ccc1O 3160777 FQNZXGZKHKUKRN-UHFFFAOYSA-N 212.248 2.796 0 50 BFAA in-vitro Cc1cccc([C@H](CC(=O)O)n2cccc2)c1 5751898 WPEWHTJKEWLCPG-ZDUSSCGKSA-N 229.279 2.861 0 50 BFAA Cc1cc(C)c(C(=O)N2CCCC2)c(C)c1 6699382 VKRRGPAFNZGKMR-UHFFFAOYSA-N 217.312 2.848 0 50 BFAA CCc1ccc(NC(=O)N2CCCC2)cc1 6731267 WEHQRTPTJIAJAR-UHFFFAOYSA-N 218.300 2.877 0 50 BFAA CC[C@@H](C)NC(=O)[C@H](C)Oc1ccc(F)cc1 14397483 UPBPRMPBCDHILN-ZJUUUORDSA-N 239.290 2.508 0 50 BFAA Cc1cc(F)cc(Br)c1C=O 26893624 HQTWYBVWOIOMBX-UHFFFAOYSA-N 217.037 2.709 0 50 BFAA in-vitro Cc1cc(Br)cc2cn(C)nc12 36533458 GFFXVRQYZXKPRF-UHFFFAOYSA-N 225.089 2.644 0 50 BFAA in-vitro O=C1CC23CCCCCC2(C1)CC(=O)C3 45072036 MHQXGKJCVMLCND-UHFFFAOYSA-N 206.285 2.649 0 50 BFAA CCCCOCc1ncnn1-c1cccc(C)c1 92036842 MWPXEVSRLXDTKW-UHFFFAOYSA-N 245.326 2.892 0 50 BFAA CCCCn1cnc2ccc(C(=O)OC)cc21 95495628 CGNCAMUTIRSJPD-UHFFFAOYSA-N 232.283 2.623 0 50 BFAA Cc1cc(C)n(C2CN(C[C@H]3CC=CCC3)C2)n1 97813865 MHZYIQBGJMGLSC-AWEZNQCLSA-N 245.370 2.713 0 50 BFAA CCCNc1cc(C)oc(=O)c1C(=O)CCC 100343686 UBGHQHDUIUDNSB-UHFFFAOYSA-N 237.299 2.753 0 50 BFAA CCC[C@H]1CCC(=O)[C@H](C(=O)C(C)C)C1 112750722 JZHIEWWMIAUPCM-WDEREUQCSA-N 210.317 2.997 0 50 BFAA Cc1cc(N[C@H](C)c2ncc(C)s2)ncn1 125196144 ZPRSXULJGXKENG-SECBINFHSA-N 234.328 2.723 0 50 BFAA C[C@H](CSC(C)(C)C)Nc1cnn(C)c1 127401771 CZWLEJFADJMWNC-SECBINFHSA-N 227.377 2.752 0 50 BFAA Clc1nc2cc3c(cc2s1)NCC3 238519289 DMVVVAJEESWKDS-UHFFFAOYSA-N 210.689 2.918 0 50 BFAA C[C@H]1[C@@H](c2ccccc2)CCN1c1cnccn1 267574414 XWKLFHKWBAZNMJ-JSGCOSHPSA-N 239.322 2.859 0 50 BFAA NC(=O)c1cc(-c2ccc(F)cc2F)cs1 426477644 WSWZRUPNLJRFIZ-UHFFFAOYSA-N 239.246 2.792 0 50 BFAA CCC[C@@H](NC(=O)NCCF)c1cccs1 584901658 WTNUAVZFQPISKO-SECBINFHSA-N 244.335 2.858 0 50 BFAA CCC(CC)CN(CC)C(=O)c1nc(C)c[nH]1 585135481 MGRNJDNIYZUMCN-UHFFFAOYSA-N 237.347 2.616 0 50 BFAA Cc1cnc(CN[C@@H](C)C2=CCCCC2)[nH]1 952981314 SLDNTPOFCCWILF-NSHDSACASA-N 219.332 2.697 0 50 BFAA CCOC(=O)Nc1ccccc1OCC 400456 HPMBJEHEKMHVHF-UHFFFAOYSA-N 209.245 2.654 0 50 BFAA CC1(C)OC(c2ccc(O)cc2)OC1(C)C 406185 RNLYGUMQOHUNEO-UHFFFAOYSA-N 222.284 2.995 0 50 BFAA O=C(Cc1ccc2ccccc2c1)NC1CC1 471641 XWOMXRUMBVADGM-UHFFFAOYSA-N 225.291 2.661 0 50 BFAA OCc1ccc(-c2ccc(F)cc2)cc1 1260606 ZSWIVXLMMVNSCM-UHFFFAOYSA-N 202.228 2.985 0 50 BFAA in-vitro CC(C)[C@H]1NC(S)=NC2=C1CCCC2 1321945 HEGPWLIGDINTCM-SNVBAGLBSA-N 210.346 2.728 0 50 BFAA in-vitro COc1ccc(CN2CCCCC2)cc1OC 4690152 LRGXWZGYKVCSRA-UHFFFAOYSA-N 235.327 2.690 0 50 BFAA O=C1[C@H]2CCCCC2=NN1c1ccccc1 4837907 XTRMRDURQFAJOU-NSHDSACASA-N 214.268 2.579 0 50 BFAA CCc1nc(=O)c2c3c(sc2[nH]1)CCCCC3 5080629 RNFXCLYYQOOWOU-UHFFFAOYSA-N 248.351 2.816 0 50 BFAA Cc1ccc(O[C@H](C)C(=O)NC2CCCC2)cc1 6845649 RDNFVJADODBUEV-GFCCVEGCSA-N 247.338 2.821 0 50 BFAA CCOc1cccc(C(=O)Nc2cc(C)on2)c1 13744250 YYEBVIZPNIQPFL-UHFFFAOYSA-N 246.266 2.634 0 50 BFAA O=c1[nH]cnc2scc(-c3cccs3)c12 18125083 LFUBTAOTPHKKOS-UHFFFAOYSA-N 234.305 2.713 0 50 BFAA in-vitro Fc1ccc(OCCCCn2ccnc2)cc1 23550145 QSHZIRDMVYIXJA-UHFFFAOYSA-N 234.274 2.881 0 50 BFAA CCC(=O)c1cccc(-c2cccc(N)n2)c1 32547728 ZLAUGYBCEGOPHP-UHFFFAOYSA-N 226.279 2.924 0 50 BFAA Fc1cc(Cl)cnc1Br 38339177 PYDGFYYLQFJQBZ-UHFFFAOYSA-N 210.433 2.637 0 50 BFAA in-vitro CCc1ccc(O)cc1Br 39100703 WZWBUTQYRRJSMC-UHFFFAOYSA-N 201.063 2.717 0 50 BFAA in-vitro CCCC[C@H](CO)NC1CCCCCC1 41053563 HAEQEVMPEWVTBK-CYBMUJFWSA-N 213.365 2.850 0 50 BFAA CC1(C)CC=C[C@@H]2[C@@H]3CC[C@H](O)C[C@@H]3C(=O)C[C@@H]21 71786951 MTJMYAZFXJFQQG-HPCHECBXSA-N 248.366 2.955 0 50 BFAA Cc1cc(C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)no1 104288934 XZTDGTZGCCWLJK-FIQHERPVSA-N 248.326 2.538 0 50 BFAA CCCN(Cc1ccccc1)C[C@H]1CCCNC1 132295592 ACJCBEPQNIHMRH-INIZCTEOSA-N 246.398 2.898 0 50 BFAA CCC(=O)O[C@@H]1C[C@H]2C[C@H]1[C@H]1CC=C[C@@H]12 212542391 BLBJUGKATXCWET-LDMBFOFVSA-N 206.285 2.540 0 50 BFAA Cc1nc(CN2CCC[C@](C)(F)C2)oc1C 295354688 IWJUGIHMVDXTDD-LBPRGKRZSA-N 226.295 2.615 0 50 BFAA FC1(F)CCC[C@@H]1Cn1cnc(C2CC2)n1 334965140 QRKHJZLBBZBBCP-SECBINFHSA-N 227.258 2.591 0 50 BFAA CCn1nccc1-c1nc(C)cc(C2CCC2)n1 426387805 FESNIMAQWSOSAU-UHFFFAOYSA-N 242.326 2.936 0 50 BFAA c1cc2c[nH]nc2cc1CS[C@H]1CCCOC1 594898602 WDSZAEMQLLSPTM-LBPRGKRZSA-N 248.351 2.975 0 50 BFAA Cc1nc2ncc(-c3ccc(C)c(F)c3)cn2n1 1506408589 NLBCJYGOGYRIGF-UHFFFAOYSA-N 242.257 2.547 0 50 BFAA CCOc1ccc(C2=CSC3=NCCN23)cc1 54421 VASVSOBQTRKFFH-UHFFFAOYSA-N 246.335 2.802 0 50 BFAA O=C(O)c1cccc(-c2ccc(O)cc2)c1 126324 WINNQOZTIDYENK-UHFFFAOYSA-N 214.220 2.757 0 50 BFAA CC(C)CCn1c(CO)nc2ccccc21 237698 OCGZALVQRZOSBZ-UHFFFAOYSA-N 218.300 2.575 0 50 BFAA in-vitro O=C(c1ccc(Cl)cc1Cl)n1cccn1 460597 RCDMQXMXRUPREK-UHFFFAOYSA-N 241.077 2.878 0 50 BFAA CCOC(=O)CCSc1ccccc1 1559665 PEPOQQRRKLMLJV-UHFFFAOYSA-N 210.298 2.732 0 50 BFAA c1ccc(CN2CCC3(CCNCC3)CC2)cc1 1705552 DKRVXLMWXJFVEJ-UHFFFAOYSA-N 244.382 2.652 0 50 BFAA in-vitro O=C(O)Cc1cccc(-c2ccccc2)c1 2014898 VLQLJPWPRYUYMK-UHFFFAOYSA-N 212.248 2.981 0 50 BFAA CCCCC[C@H]1C(=O)CC[C@@H]1CC(=O)OC 2077816 KVWWIYGFBYDJQC-GHMZBOCLSA-N 226.316 2.725 0 50 BFAA endogenous,in-man NCc1cc(C(F)(F)F)ccc1Cl 2556416 XOCMZYUQWVACMA-UHFFFAOYSA-N 209.598 2.818 0 50 BFAA in-vitro COC(=O)c1ccc(-c2ccccn2)cc1 6544729 WNUOEXYOJHXGAX-UHFFFAOYSA-N 213.236 2.535 0 50 BFAA CC(C)(C)OC(=O)c1ccc(Cl)nc1 8698112 OFRLMTIBUAXBGV-UHFFFAOYSA-N 213.664 2.690 0 50 BFAA in-vitro CCCCc1ccc2ncc(C(=O)O)c(O)c2c1 9379573 UMGYNDKFPNCPGA-UHFFFAOYSA-N 245.278 2.981 0 50 BFAA biogenic CNC/C=C/COc1c(C)cc(C)cc1C 16622628 ZCSYZYJPEJIZKC-AATRIKPKSA-N 219.328 2.766 0 50 BFAA CC(C)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 32592833 XQFFSEWWEHQHEP-UHFFFAOYSA-N 229.283 2.671 0 50 BFAA Cc1ccc([C@H](C)NC(=O)C(C)C)cc1 45174576 NPWBDXZFHCXGQE-NSHDSACASA-N 205.301 2.828 0 50 BFAA Clc1cc(-c2ccncc2)c(Cl)nn1 71609923 OHEFKPDASJTVDT-UHFFFAOYSA-N 226.066 2.845 0 50 BFAA in-vitro O=C(O)Cc1ccccc1-c1ccco1 141531826 AWVWPEMJYQLBGQ-UHFFFAOYSA-N 202.209 2.574 0 50 BFAA CCc1cc(NC(=O)c2cnns2)ccc1C 180752174 YOPPMIWPOMWNEB-UHFFFAOYSA-N 247.323 2.661 0 50 BFAA CCN(C)C(=O)c1ccc(C(F)(F)F)c(F)c1 190664032 CWQCWLPYGQBHOX-UHFFFAOYSA-N 249.207 2.936 0 50 BFAA CCC(C)(C)CCN1CCC(C(=O)O)CC1 262689613 ZAEJQEUBQABHRZ-UHFFFAOYSA-N 227.348 2.609 0 50 BFAA CC(C)Cc1ncc(Cc2ccccc2)[nH]c1=O 575440741 XPNFCDPLHVHPHB-UHFFFAOYSA-N 242.322 2.559 0 50 BFAA in-vitro C=CC(=O)Nc1ccc(OCCC)c(C)c1 1335323710 JGWFIIKLKLEJAS-UHFFFAOYSA-N 219.284 2.908 0 50 BFAA CCc1c(C)c2ccc(OC)c(C)c2oc1=O 51961 LKASKHWGVOLPRK-UHFFFAOYSA-N 232.279 2.981 0 50 BFAA biogenic CCOC(=O)CNc1ccc(Cl)c(Cl)c1 81389 SQYQNTBOBNJCAD-UHFFFAOYSA-N 248.109 2.968 0 50 BFAA Cc1cc(C)nc(Sc2cccc(N)c2)n1 154220 TYFZVTWRRJPDKN-UHFFFAOYSA-N 231.324 2.827 0 50 BFAA in-vitro Cc1ccc(NC(=O)c2ccc(N)cc2)cc1 225982 AGXXZAVPKXLZKZ-UHFFFAOYSA-N 226.279 2.830 0 50 BFAA in-vitro CC[C@@H](C)C(=O)Nc1nnc(CC(C)C)s1 268404 ZYMCSVDWRMDYFI-MRVPVSSYSA-N 241.360 2.721 0 50 BFAA CCC(CC)C(=O)NCCc1ccccc1 362331 YTDFJJNTCPOIFC-UHFFFAOYSA-N 219.328 2.782 0 50 BFAA Cc1cccc(-n2nnnc2-c2ccccc2)c1 406349 YBMKHMAHAIUXMB-UHFFFAOYSA-N 236.278 2.638 0 50 BFAA Cc1cc(N)nn1Cc1ccc(F)cc1Cl 1304698 VSFQVZGEJCOWQP-UHFFFAOYSA-N 239.681 2.615 0 50 BFAA CCOC(=O)C(=O)c1cccc2ccccc12 2245473 YACNOKOTOHNDBU-UHFFFAOYSA-N 228.247 2.586 0 50 BFAA CC(=O)Cc1ccc(OC(F)(F)F)cc1 2518689 LNSGIYHTBZBJHU-UHFFFAOYSA-N 218.174 2.717 0 50 BFAA in-vitro Nc1ccc(-c2cccc(C(=O)O)c2)cc1 2522309 AZMVFOPKHNNXDO-UHFFFAOYSA-N 213.236 2.634 0 50 BFAA in-vitro FC(F)(F)c1ccc(C[C@H]2CCNC2)cc1 2529106 WPPDXXSXLYSCJH-SNVBAGLBSA-N 229.245 2.857 0 50 BFAA Cc1cc(C)cc(OC(C)(C)C(=O)O)c1 2557832 SXWGTMNDGSAUON-UHFFFAOYSA-N 208.257 2.545 0 50 BFAA COC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 6020210 SCHCPDWDIOTCMJ-LURJTMIESA-N 249.093 2.934 0 50 BFAA in-vitro CCc1ccccc1NC(=O)N1CCCC1 6725624 GXYHZNKIMHNZEB-UHFFFAOYSA-N 218.300 2.877 0 50 BFAA Cc1cc(C(=O)Nc2ccccc2C)no1 7609677 VVORRSQVJKITJQ-UHFFFAOYSA-N 216.240 2.544 0 50 BFAA O=C(c1ccc(Cl)cc1)[C@H]1CCCNC1 11630738 IXWBWTMJACOQNG-JTQLQIEISA-N 223.703 2.522 0 50 BFAA O[C@H]1CCCN(CC[C@@H]2CCc3ccccc32)C1 19112322 TZFQVXVQAQQCJC-GJZGRUSLSA-N 245.366 2.563 0 50 BFAA Clc1cccc(Cl)c1C1N2CCCN12 19169316 MPYAFRMNCKUHHH-UHFFFAOYSA-N 229.110 2.928 0 50 BFAA C[C@H](c1nc(-c2ccccc2)n[nH]1)n1cccc1 65529367 ZWUZVNJQKSZOET-LLVKDONJSA-N 238.294 2.883 0 50 BFAA CC(=O)c1cc(Br)c(F)cc1F 66325928 KXZHDRBQPYKHKS-UHFFFAOYSA-N 235.027 2.930 0 50 BFAA in-vitro Cc1ccc(CC(=O)NC2CCCC2)c(C)c1 72436965 ODYOVLMNOWXVQZ-UHFFFAOYSA-N 231.339 2.905 0 50 BFAA CC[C@@H](NCc1ccnn1C)c1ccccc1F 163467606 NTNSGOQFDFWURW-CQSZACIVSA-N 247.317 2.800 0 50 BFAA CCC(=O)O[C@@H]1C[C@H]2C[C@H]1[C@H]1CC=C[C@H]12 212542324 BLBJUGKATXCWET-WTPMCQDGSA-N 206.285 2.540 0 50 BFAA Cc1nn(CC(F)(F)F)cc1Br 223254182 WXUDSDMNUCGYSK-UHFFFAOYSA-N 243.026 2.516 0 50 BFAA C[C@H]1C[C@H]1c1nc(-c2cnc3ccccn23)no1 225553490 LNMPVLLCUBCXLA-DTWKUNHWSA-N 240.266 2.508 0 50 BFAA C[C@@H]1CN(C(=O)C2=CCCC2)CCC1(F)F 335862113 JWHUXRYHUHPNNQ-SECBINFHSA-N 229.270 2.600 0 50 BFAA C[Si](C)(C)c1sc(C=O)cc1Cl 616567862 BDGPLIBLURUEDD-UHFFFAOYSA-N 218.781 2.759 0 50 BFAA CC(C)(C)c1cc(C(=O)O)nn1-c1ccccc1 32855 CBLDQVQVGAYZED-UHFFFAOYSA-N 244.294 2.868 0 50 BFAA CC(=O)c1cccc(NC(=O)c2cccnc2)c1 35864 VLNZENGMOKSDAH-UHFFFAOYSA-N 240.262 2.537 0 50 BFAA O=C(NCc1ccco1)Nc1ccccc1 63721 DJYZCQZAMVKSHF-UHFFFAOYSA-N 216.240 2.601 0 50 BFAA biogenic O=C1CCCN1c1cccc2ccccc12 188722 KDRONXZNFIQMDV-UHFFFAOYSA-N 211.264 2.967 0 50 BFAA Cc1cnc(NC(=O)C2CCCCC2)s1 253448 XZSYUCKPNABQKO-UHFFFAOYSA-N 224.329 2.970 0 50 BFAA O=C(c1scc2c1CCCC2)N1CCCC1 269635 RNCSAIVAVYSPSC-UHFFFAOYSA-N 235.352 2.863 0 50 BFAA O=C1c2ccccc2CN1c1ccccc1 364176 FIWLYGQHSKZFAQ-UHFFFAOYSA-N 209.248 2.847 0 50 BFAA in-vitro CCOC(=O)c1[nH]c2ccccc2c1C 374968 OZQXZSIVKVCSDF-UHFFFAOYSA-N 203.241 2.653 0 50 BFAA in-vitro Cc1ccc(COC(=O)c2ccccc2)o1 405266 CZGJADJWVDCSFQ-UHFFFAOYSA-N 216.236 2.945 0 50 BFAA COc1cc(CN2CCC(C)CC2)cc(OC)c1 757286 QBEXYOVLSKDAIZ-UHFFFAOYSA-N 249.354 2.936 0 50 BFAA COc1ccc(C)cc1-c1csc(N)n1 3888873 UTMKXDHPVOTHOD-UHFFFAOYSA-N 220.297 2.709 0 50 BFAA in-vitro Oc1cc(C23CC4CC(CC(C4)C2)C3)[nH]n1 4453037 CHJGAHNSRIUOMJ-UHFFFAOYSA-N 218.300 2.583 0 50 BFAA CCOC(=O)CCC(=O)Nc1c(C)cccc1C 4820526 MTLZYIMPEDGVLD-UHFFFAOYSA-N 249.310 2.585 0 50 BFAA COc1ccc(C=O)cc1O[C@@H]1C=CCCC1 5361298 OWNCBDUCJKRVEB-GFCCVEGCSA-N 232.279 2.995 0 50 BFAA O=C(O)c1cccc2cc(Cl)cnc12 6094461 ZBCZIOIUHRRMLO-UHFFFAOYSA-N 207.616 2.586 0 50 BFAA Cc1nnc(SCc2cccc(F)c2)n1C 6699042 BMGOMTZXVGLKNO-UHFFFAOYSA-N 237.303 2.555 0 50 BFAA Cc1cccc(CC(=O)Nc2ncc(C)s2)c1 6731310 ZVUNXNWDYIRSKM-UHFFFAOYSA-N 246.335 2.941 0 50 BFAA CCC(CC)c1nc2ccccc2c(=O)[nH]1 8696067 DGZCUHOYKJKTSP-UHFFFAOYSA-N 216.284 2.827 0 50 BFAA C[C@H]1CC(C)(C)N2C(=O)C(=O)c3cccc1c32 8879437 YKDZCUAXADGLRL-QMMMGPOBSA-N 229.279 2.502 0 50 BFAA biogenic O=Cc1ccc(OC(F)(F)F)c(F)c1 12359301 RQLRUBHAAVGRPW-UHFFFAOYSA-N 208.110 2.537 0 50 BFAA in-vitro C[C@H]1C[C@@H](C)CN(C(=O)c2ccc(F)cc2)C1 12410437 JGSLWDATJNUNQD-PHIMTYICSA-N 235.302 2.944 0 50 BFAA Oc1cc(Br)cc2cccnc12 13222978 IMUJTAIQEBHAMT-UHFFFAOYSA-N 224.057 2.703 0 50 BFAA COc1cccc(Br)c1C(C)=O 34542670 MIYSKSQWTYYYMX-UHFFFAOYSA-N 229.073 2.660 0 50 BFAA Clc1cc(Oc2ccccc2)ncn1 35882175 KHGWFZBIISKKRP-UHFFFAOYSA-N 206.632 2.922 0 50 BFAA in-vitro COc1ccc(Br)c(Cl)n1 38537001 OSXXSYYRNKLDHE-UHFFFAOYSA-N 222.469 2.506 0 50 BFAA in-vitro Cc1cc(OC[C@H](N)C2CC2)ccc1Cl 68905209 MFPYTDMEGJEETL-LBPRGKRZSA-N 225.719 2.765 0 50 BFAA in-vitro COC(=O)c1cnc(C(F)(F)F)cc1Cl 94986240 JRWLVIZDSQIWTD-UHFFFAOYSA-N 239.580 2.540 0 50 BFAA in-vitro Cc1cc(C(=O)N2C[C@H](C)CCC[C@H]2C)no1 133890845 YUDWABOTLWPLJX-NXEZZACHSA-N 236.315 2.634 0 50 BFAA Cc1cc(O)ccc1-c1c(C)ncnc1C 144835365 MMELQFRUATUUQR-UHFFFAOYSA-N 214.268 2.774 0 50 BFAA O=C(O)c1ccc(C(F)(F)F)c2ncccc12 253496094 CZCIRWNAHRNIEU-UHFFFAOYSA-N 241.168 2.952 0 50 BFAA C[C@]12CCN(c3ccccn3)C[C@@H]1C2(F)F 291993523 QRMCIJSYZKQQFU-ONGXEEELSA-N 224.254 2.563 0 50 BFAA N[C@@H](c1ccccc1)C1(CO)CCCCC1 328579612 RHSYYPIQBHUJEE-ZDUSSCGKSA-N 219.328 2.629 0 50 BFAA CC/C=C(/CN1CCCNCC1)c1ccccc1 426707330 BJEJWLCVBRTTHL-APSNUPSMSA-N 244.382 2.775 0 50 BFAA O=c1[nH]c2sccc2c2ccccc12 3266 LQJVOLSLAFIXSV-UHFFFAOYSA-N 201.250 2.743 0 50 BFAA in-vitro Cc1ccc(NC(=O)c2ccncc2)cc1C 119449 XZMUKYDKWANYBX-UHFFFAOYSA-N 226.279 2.951 0 50 BFAA Cc1cc(C)nc(Nc2ccc(N(C)C)cc2)n1 150138 YZEAWDQPTICNGM-UHFFFAOYSA-N 242.326 2.903 0 50 BFAA CCOC(=O)N(C#N)c1ccc(Cl)cc1 400509 OARINEBPUHYVMD-UHFFFAOYSA-N 224.647 2.784 0 50 BFAA CN(C)C(=O)CSc1ccc(Cl)cc1 443790 WLBGIFAQOYDCKT-UHFFFAOYSA-N 229.732 2.520 0 50 BFAA CC(=O)C[C@@]1(C)Nc2ccccc2S1 983350 HWKQLFDRXPYESK-NSHDSACASA-N 207.298 2.900 0 50 BFAA O=C(O)c1ccc(C(=O)c2ccccc2)cc1 2504355 IFQUPKAISSPFTE-UHFFFAOYSA-N 226.231 2.616 0 50 BFAA in-vitro COc1ccc(-c2ccc(C=O)cn2)cc1OC 2527597 JRWHCFWWJIMXRU-UHFFFAOYSA-N 243.262 2.578 0 50 BFAA CC(C)(C)NCCCOc1ccccc1F 2899078 KCJDILAEGBPNPF-UHFFFAOYSA-N 225.307 2.983 0 50 BFAA C[C@@]12CCc3ccccc3[C@@]1(C)OC(=O)O2 4127531 RZFWPUPZZRXZLU-CHWSQXEVSA-N 218.252 2.774 0 50 BFAA CC1(C)C[C@@](Cc2ccccc2)(C(=O)O)CCO1 6763537 KLYLQAGPUFFWHE-OAHLLOKOSA-N 248.322 2.889 0 50 BFAA biogenic Cc1cccc(/C=C2\SC(=O)N(C)C2=O)c1 12407043 FXJNEOYLDMWNMA-YFHOEESVSA-N 233.292 2.661 0 50 BFAA FC(F)(Cl)c1nc2ccccc2[nH]1 14628425 MZHAPNWLKUEQQW-UHFFFAOYSA-N 202.591 2.851 0 50 BFAA in-vitro C[C@H](CCc1ccccc1)N(C)CCN(C)C 19637109 LBOUCKJBXDTEHN-CQSZACIVSA-N 234.387 2.501 0 50 BFAA Nc1cccc(-c2cccc(-c3cc[nH]n3)c2)n1 19720604 VNAGWRVGHUBUET-UHFFFAOYSA-N 236.278 2.721 0 50 BFAA O=C(O)c1ccc2cccc(C(F)(F)F)c2n1 26460667 RLUWEWVQVYDBHB-UHFFFAOYSA-N 241.168 2.952 0 50 BFAA COC(=O)c1c(C)cccc1Br 35822898 DDJSNWUTQDNGIZ-UHFFFAOYSA-N 229.073 2.544 0 50 BFAA CCCCN1CCC(n2cc(C3CC3)nn2)CC1 55326821 NPBGEHWIMJRNRR-UHFFFAOYSA-N 248.374 2.593 0 50 BFAA CCOC(=O)c1ncc(-c2ccccc2)s1 77031717 FWBZHFHLKWUNKL-UHFFFAOYSA-N 233.292 2.987 0 50 BFAA Nc1ccc2cc(Br)cnc2c1 95616302 PUPYSBMMYVIJCB-UHFFFAOYSA-N 223.073 2.580 0 50 BFAA in-vitro CCCc1c(C)nn(-c2ccc(F)cc2)c1O 100072230 OGJINVIYPLULOK-UHFFFAOYSA-N 234.274 2.978 0 50 BFAA O=S(=O)(C1=C[C@H]2C=C[C@H]1C2)c1ccccc1 101037560 ZEZUTCANYHGFRE-QWRGUYRKSA-N 232.304 2.550 0 50 BFAA O=C(Nc1ccc(Cl)cc1)Nc1cnc[nH]1 225552428 HQOGDTZMHYRKRP-UHFFFAOYSA-N 236.662 2.707 0 50 BFAA COc1c2ccoc2cc2oc(=O)ccc12 57731 BGEBZHIAGXMEMV-UHFFFAOYSA-N 216.192 2.548 0 50 BFAA endogenous,world O=C(Nc1nccs1)c1cccc(F)c1 176123 MYBXLXCXRSXGMB-UHFFFAOYSA-N 222.244 2.535 0 50 BFAA Cc1c(Br)csc1C=O 334113 CNQKPFYSSHUZHW-UHFFFAOYSA-N 205.076 2.632 0 50 BFAA in-vitro CCOC(COCc1ccccc1)OCC 396182 VTYTZCJKJNWMGA-UHFFFAOYSA-N 224.300 2.602 0 50 BFAA in-vitro COC(=O)COc1cc(C)ccc1C(C)C 406189 AVMGQPGGNIHIJB-UHFFFAOYSA-N 222.284 2.670 0 50 BFAA Cc1ccccc1[C@H]1NC(=O)Cc2ccccc21 435259 RHXWVLGYRAMFHP-MRXNPFEDSA-N 237.302 2.757 0 50 BFAA COc1ccc(Oc2nc(C)cc(C)n2)cc1 950324 ZDAQXVOOLXUHBR-UHFFFAOYSA-N 230.267 2.894 0 50 BFAA CCOc1ccccc1Br 1586377 JVEQWIQHHWNMQX-UHFFFAOYSA-N 201.063 2.848 0 50 BFAA in-vitro Cc1cc(C)nc(C[C@@H]2CCCCCN2)c1 3735162 NHSQROWSPXEKIY-ZDUSSCGKSA-N 218.344 2.773 0 50 BFAA in-vitro CNC(=O)c1cccc(Oc2ccccc2)c1 5392409 FKCUOISXAGPXMY-UHFFFAOYSA-N 227.263 2.839 0 50 BFAA CCCc1n[nH]c(N)c1-c1ccc(F)cc1 8701439 CAJDVZQXJVBMRK-UHFFFAOYSA-N 219.263 2.751 0 50 BFAA CCC[C@@H](C)NC(=O)c1ccc(OC)c(C)c1 9140105 PYQNHXOKTVCWKY-LLVKDONJSA-N 235.327 2.922 0 50 BFAA CC(=O)c1sc(-c2cccnc2)nc1C 12408492 NWSRUSOSLHVWOZ-UHFFFAOYSA-N 218.281 2.716 0 50 BFAA in-vitro Cc1scc(C(=O)NCc2ccco2)c1C 13328590 XQLGSYYIRXLZLK-UHFFFAOYSA-N 235.308 2.888 0 50 BFAA O=c1[nH]c(-c2ccccc2)nc2ccccc12 17917305 VDULOAUXSMYUMG-UHFFFAOYSA-N 222.247 2.590 0 50 BFAA biogenic,in-vitro CCCOc1cc2c(cc1C=O)O[C@@H](C)C2 20283921 KVKAGKNBCAFUSQ-VIFPVBQESA-N 220.268 2.611 0 50 BFAA in-vitro CC(C)(C)[C@@H](Cn1ccnc1)NCc1ccoc1 62136896 BQQSQDZCOJXSBS-CYBMUJFWSA-N 247.342 2.681 0 50 BFAA OCc1cc(-c2cnc3ccccc3c2)ccn1 65370452 DUZKBKCHVUNESG-UHFFFAOYSA-N 236.274 2.789 0 50 BFAA C[C@H]1CCC[C@@]2(C1)NC(=O)c1ccccc1N2 66128179 QFNGBFKANBGZQH-HZMBPMFUSA-N 230.311 2.748 0 50 BFAA CCC/C=C/c1cc(C(=O)NC2CC2)ccn1 67673241 VJVLDFKTOQJQTD-SNAWJCMRSA-N 230.311 2.787 0 50 BFAA N#CNc1nccc(-c2ccc(Cl)cc2)n1 71384942 OHRRFGMWGWWUQP-UHFFFAOYSA-N 230.658 2.690 0 50 BFAA CCOC(=O)c1n[nH]c2c1CCC2=C1CCCC1 71864286 TVKCNGYEOJFSAE-UHFFFAOYSA-N 246.310 2.860 0 50 BFAA in-vitro CCSc1nc2ccccc2n1C[C@H](C)O 138028907 KVNUKELJZNNMAT-VIFPVBQESA-N 236.340 2.529 0 50 BFAA FC(F)(F)c1ccc(NCc2ccco2)nn1 148588808 RHGOXLHMAAYUMQ-UHFFFAOYSA-N 243.188 2.701 0 50 BFAA CC1(C)C(c2nnc([C@H]3CCOC3)o2)C1(C)C 299743246 MQCBLGANDLRTMW-QMMMGPOBSA-N 236.315 2.723 0 50 BFAA C=CC(=O)NC1(c2nc(C)cs2)CCCC1 791357752 ABRVTWBHZJTRAH-UHFFFAOYSA-N 236.340 2.523 0 50 BFAA CC(C)n1ccc(-c2nnc(-c3ccco3)[nH]2)n1 822284969 ROPOFBGCFDSRAP-UHFFFAOYSA-N 243.270 2.509 0 50 BFAA CCCn1nc(CC)nc1[C@@H](C)n1cccc1 823032957 CDFBSLPHPGOIBV-LLVKDONJSA-N 232.331 2.661 0 50 BFAA CCN(CC)C(=O)c1cccc(Cl)c1 126194 ZWTKSSXSNVYXII-UHFFFAOYSA-N 211.692 2.822 0 50 BFAA CN1CC=C(/C=C/c2ccc3c(c2)OCO3)CC1 201225 IKNAZHAOBZXUCD-NSCUHMNNSA-N 243.306 2.690 0 50 BFAA Cc1cc(C)c2nc(C(F)(F)F)nc(O)c2c1 236438 VLXHUCFLOKPYEK-UHFFFAOYSA-N 242.200 2.971 0 50 BFAA C[C@@H](NCc1ccncc1)c1ccccc1 570731 RRAGLXJZCODDRE-GFCCVEGCSA-N 212.296 2.932 0 50 BFAA CCCc1ccc(OC)c(-c2cc(N)[nH]n2)c1 4234678 VIYGFVHBVYUBAO-UHFFFAOYSA-N 231.299 2.620 0 50 BFAA in-vitro Cc1noc(C)c1COc1ccccc1C=O 6658329 GEUZGJRITYDUAK-UHFFFAOYSA-N 231.251 2.683 0 50 BFAA in-vitro COc1ccccc1OCCCCn1ccnc1 16662197 PLZPLOXJGGYEQN-UHFFFAOYSA-N 246.310 2.751 0 50 BFAA C[C@H](Cc1ccc(Br)cc1)C(=O)O 37462430 KIXVFBKJEAPPAR-SSDOTTSWSA-N 243.100 2.712 0 50 BFAA in-vitro CC(=O)OC[C@@]12CO[C@H](C)[C@@H](C1)C(C)=C[C@H]2C 43959276 FLTREWUZEUGCGE-RFHZTLPTSA-N 238.327 2.557 0 50 BFAA COc1nc(Cl)ccc1Br 65337581 NPCVTFQTUUYXQP-UHFFFAOYSA-N 222.469 2.506 0 50 BFAA in-vitro CC(=O)c1cccc(OC(F)(F)F)c1F 91252007 QFZPOCFJEAIXKA-UHFFFAOYSA-N 222.137 2.927 0 50 BFAA in-vitro Nc1cccc2c(Br)ccnc12 91692892 HCYKBCVCZOPWGQ-UHFFFAOYSA-N 223.073 2.580 0 50 BFAA in-vitro CCOC(=O)CCc1ccc(O)c(C)c1C 118897891 FRPDXOMKOVSTND-UHFFFAOYSA-N 222.284 2.505 0 50 BFAA C[Si](C)(C)C[C@H](O)Cc1ccccc1 169820053 FDDSMWUFJNULIF-GFCCVEGCSA-N 208.377 2.928 0 50 BFAA C[C@H]1[C@H](c2ccccc2)CCN1CCCC(=O)O 175603930 UHKGQOAKWZRNDI-GXTWGEPZSA-N 247.338 2.729 0 50 BFAA O=C(C1=CCCC1)N1CCOC2(CCCCC2)C1 177750525 XLDWBDBRRXJZGD-UHFFFAOYSA-N 249.354 2.658 0 50 BFAA Cc1c(C(=O)O)cc(C(F)(F)F)cc1[N+](=O)[O-] 203901132 MSPACDHXYLZNHB-UHFFFAOYSA-N 249.144 2.620 0 50 BFAA O=C(O)c1cccc(Cl)c1C(F)F 214768128 VFQIADYIOVJVNJ-UHFFFAOYSA-N 206.575 2.976 0 50 BFAA COCCCOc1ccc([C@H]2CCOC2)cc1 225627801 YMXZUIWKGWIVCC-ZDUSSCGKSA-N 236.311 2.606 0 50 BFAA CCCCOc1ccc(C)cc1-c1ncn(C)n1 426369464 YXOYNDZCOUSQDW-UHFFFAOYSA-N 245.326 2.969 0 50 BFAA O=C(Nc1cccc(C2CC2)n1)[C@H]1C[C@@H]2C[C@@H]2C1 615289789 IBIZJKUNJHTRRK-ZSBIGDGJSA-N 242.322 2.944 0 50 BFAA O=C(O)c1c(-c2ccco2)noc1C(F)F 675057341 BXZLIESGCBMWOF-UHFFFAOYSA-N 229.138 2.570 0 50 BFAA CCCc1cnc(NCC2(COC)CCC2)nc1 952974090 PWJXEMVODYKLJU-UHFFFAOYSA-N 249.358 2.658 0 50 BFAA Fc1ccc2nc(SCc3cc[nH]n3)oc2c1 1459269797 FCDKEORVWJSTQV-UHFFFAOYSA-N 249.270 2.982 0 50 BFAA CCOC(=O)Oc1ccc2oc(=O)cc(C)c2c1 88831 OSHFELFZGMFHGJ-UHFFFAOYSA-N 248.234 2.637 0 50 BFAA O=Cc1c[nH]c2c(F)c(F)c(F)c(F)c12 154005 BHGCCJJOMNIVOA-UHFFFAOYSA-N 217.121 2.537 0 50 BFAA in-vitro O=C1C[C@@H]2CCC[C@@H](C1)N2Cc1ccccc1 1705546 BVEFCNSLJKPSEA-KBPBESRZSA-N 229.323 2.773 0 50 BFAA CCOCCOC(=O)Nc1ccc(Cl)cc1 2161961 ALLQMDLZVQREPF-UHFFFAOYSA-N 243.690 2.925 0 50 BFAA C=COCCNC(=O)Nc1ccccc1Cl 2983248 IIJKZEDRHXBTCX-UHFFFAOYSA-N 240.690 2.622 0 50 BFAA C[C@H]1CN=C(Nc2cccc(Cl)c2)O1 4867514 KEOCDTVZPUSMRH-ZETCQYMHSA-N 210.664 2.527 0 50 BFAA Cc1ccc(NC(=O)C2(CN)CCCC2)cc1C 44761711 XLYRKCLFVNYICA-UHFFFAOYSA-N 246.354 2.761 0 50 BFAA in-vitro Cc1ccc(C(C)(C)N[C@@H]2CCCNC2)cc1 67820835 RKEAHBREBNIYHZ-CQSZACIVSA-N 232.371 2.572 0 50 BFAA CC(C)CCNC(=O)[C@H](C)c1ccccc1 163530855 BPTSQHCOELJPJZ-GFCCVEGCSA-N 219.328 2.952 0 50 BFAA O=C(c1ccco1)c1coc2cc(O)ccc12 169795002 SOIZNMKHVNCYCZ-UHFFFAOYSA-N 228.203 2.962 0 50 BFAA Cc1[nH]c2cnccc2c1Br 196288801 YWTFPERGTVJYKQ-UHFFFAOYSA-N 211.062 2.634 0 50 BFAA Cc1cc(-c2c(F)cccc2Cl)nc(N)n1 200505498 HVYMXGTXBMAWCN-UHFFFAOYSA-N 237.665 2.827 0 50 BFAA c1cnc(S[C@H]2C[C@H]3CC[C@H]2C3)cn1 225639244 UHQGBQUSBIUZDW-GUBZILKMSA-N 206.314 2.757 0 50 BFAA CC[C@@H](c1ccccc1)N1CC[C@@]2(CCNC2)C1 261569914 KDBAPHWLHLWOKM-JKSUJKDBSA-N 244.382 2.823 0 50 BFAA C[C@@]12CCN(c3ccccn3)C[C@@H]1C2(F)F 291993516 QRMCIJSYZKQQFU-GXSJLCMTSA-N 224.254 2.563 0 50 BFAA Cc1ncsc1CNc1cncc(F)c1 300761530 LCUIXZZUCCVFBP-UHFFFAOYSA-N 223.276 2.598 0 50 BFAA COc1cccc([C@H]2C[C@@H]3CC[C@H](C2)N3)c1 309147316 JCNWAWFVXNXFAX-XYYAHUGASA-N 217.312 2.693 0 50 BFAA CC(C)n1nccc1-c1ccc2c(c1)OCCO2 426519412 YRCODHWTMWXIPN-UHFFFAOYSA-N 244.294 2.902 0 50 BFAA C=CC(=O)Nc1cnn([C@H](C)c2ccccc2)c1 1338388864 CLUCXCBHKLBPCW-LLVKDONJSA-N 241.294 2.617 0 50 BFAA CC[C@H](Cn1ccnc1)NCc1cc(C)c(C)o1 1506405547 FZCAJJLMSZSQJK-CYBMUJFWSA-N 247.342 2.661 0 50 BFAA CC[C@@]12C[C@H]1CN(c1cnc3ccccc3n1)C2 1772808685 YITSHBJSQLXUFC-NHYWBVRUSA-N 239.322 2.866 0 50 BFAA O=C(NC1CC1)c1ccc2nc(C3CC3)oc2c1 2325789814 PBZUMNOJTCBEMV-UHFFFAOYSA-N 242.278 2.597 0 50 BFAA Clc1ccc([C@]23CNC[C@H]2C3)cc1Cl 3189 BSMNRYCSBFHEMQ-KCJUWKMLSA-N 228.122 2.854 0 50 BFAA investigational COc1ccc2c(c1)c(C(=O)O)c(C)n2C1CC1 81576 RJZHKBSIYHHOMB-UHFFFAOYSA-N 245.278 2.991 0 50 BFAA Cc1ccc(CNC(=O)c2cccs2)cc1 101672 NUQVSGQAALWHLJ-UHFFFAOYSA-N 231.320 2.987 0 50 BFAA C/C=C/c1ccc(OC(C)=O)c(OC)c1 393724 IUSBVFZKQJGVEP-SNAWJCMRSA-N 206.241 2.654 0 50 BFAA endogenous,in-man O=C(NCc1ccccc1Cl)c1ccncc1 453069 ACUCQBLIAFXAOP-UHFFFAOYSA-N 246.697 2.665 0 50 BFAA Cc1ccc(C)n1NC(=O)c1ccc(F)cc1 479748 FFSJXHPRRZHODG-UHFFFAOYSA-N 232.258 2.628 0 50 BFAA CC1(C)C[C@H](C(=O)NC2CCCCC2)CCO1 520800 ATIGWZIUOICJKZ-LLVKDONJSA-N 239.359 2.641 0 50 BFAA O=C1CCCN1c1ccc(C(F)(F)F)cc1 1081383 RNCNLNNXQWEWLX-UHFFFAOYSA-N 229.201 2.832 0 50 BFAA in-vitro O=C(Nc1ccc(F)c(F)c1F)c1ccco1 2647619 PZUVZXARZGIWOD-UHFFFAOYSA-N 241.168 2.949 0 50 BFAA Cc1ccc(C(=O)NCCCOC(C)C)cc1C 2874743 FNTNTJQATRHVPN-UHFFFAOYSA-N 249.354 2.848 0 50 BFAA CCCCC(=O)Nc1ccc(N)cc1C 5946090 RBCBTOHJZMPVSK-UHFFFAOYSA-N 206.289 2.706 0 50 BFAA CCc1c(C)[nH]c2ccc(C)cc2c1=O 8584559 VKLIMHJBTINSOZ-UHFFFAOYSA-N 201.269 2.707 0 50 BFAA O=C(O)Cc1ccc(F)c2ccccc12 12404863 GHHUDLBMYDJEGI-UHFFFAOYSA-N 204.200 2.606 0 50 BFAA C[C@H](Oc1cccc(-c2ccncc2)c1)C(=O)O 32603434 NDJJRPLMMZMIJR-JTQLQIEISA-N 243.262 2.601 0 50 BFAA CSc1cc(C(=O)O)ccc1Cl 35287618 RTEJAGIAENPNEE-UHFFFAOYSA-N 202.662 2.760 0 50 BFAA in-vitro CC1=C[C@@H](c2ccc(Cl)cc2)n2ncnc2N1 100622309 SDQJZUIWKMSUCS-NSHDSACASA-N 246.701 2.850 0 50 BFAA COc1ccc2c(c1)C(CCNC(C)=O)=CCC2 115758998 VYQNQWIPOKLVHL-UHFFFAOYSA-N 245.322 2.551 0 50 BFAA in-vitro C[C@H]1Cc2ccccc2[C@@H]1Nc1cnn(C)c1 157327475 IAIYKUVPTSCWJL-IINYFYTJSA-N 227.311 2.766 0 50 BFAA CC[Sn](Cl)(Cl)CC 195768219 YFAXVVMIXZAKSR-UHFFFAOYSA-L 247.741 2.946 0 50 BFAA in-vitro C[C@H](C1CC1)N(C)C(=O)[C@H]1C[C@H]2CC[C@H]1C2 225177219 ZDPNROLVGBVIEY-URBCHYCLSA-N 221.344 2.680 0 50 BFAA C[C@@H]1CN(C)[C@H](C)[C@@H]2c3ccccc3N[C@H]12 247722452 BPLHAAXKXWWSDI-DMTCVQMQSA-N 216.328 2.534 0 50 BFAA C[C@H]1[C@H](C)CCC[C@H]1NC(=O)[C@H]1C[C@H]1C 248512987 CJMCXIVDFYLRQW-LDMBFOFVSA-N 209.333 2.583 0 50 BFAA CCc1nn(C)cc1-c1cc(OC)ccc1OC 426434168 WHZOMXARWIWNMO-UHFFFAOYSA-N 246.310 2.667 0 50 BFAA O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N1CCC[C@@H]2C[C@H]21 585082199 ATHTXIQPWDKBEV-PDWCTOEPSA-N 233.355 2.824 0 50 BFAA O=Cc1sc2cnccc2c1Br 1775970996 MASCZFDIDXUONK-UHFFFAOYSA-N 242.097 2.871 0 50 BFAA NC(=O)c1cccnc1Oc1ccc(Cl)cc1 131997 CBSIEDJQUZNDOY-UHFFFAOYSA-N 248.669 2.626 0 50 BFAA CCOC(=O)C(C)(C)Oc1ccc(C)cc1 1459478 UMLQACQSAQTJTM-UHFFFAOYSA-N 222.284 2.716 0 50 BFAA Cc1ccc(CSCCC(=O)O)cc1 2149706 IUGBHTAZBLVTJT-UHFFFAOYSA-N 210.298 2.703 0 50 BFAA in-vitro CCCOc1ccc(CNC)cc1Cl 20925507 RPKGSLBFIBRAPG-UHFFFAOYSA-N 213.708 2.848 0 50 BFAA Cc1ccc(CN(C)C(=O)c2ccco2)cc1 30755813 MSGVXTXIVLRNMJ-UHFFFAOYSA-N 229.279 2.860 0 50 BFAA COC(=O)N1C2=CC=CC=C1CCCC2 45069444 CALDATMKYLIRTQ-UHFFFAOYSA-N 205.257 2.966 0 50 BFAA CCOC(=O)c1cnc(Cl)c(F)c1Cl 71257406 PJAYGSDXQHYXNZ-UHFFFAOYSA-N 238.045 2.704 0 50 BFAA O=C1CCC[C@H](c2ccc(Cl)cc2)N1 196541606 MCRKTTNPBUWRKS-SNVBAGLBSA-N 209.676 2.681 0 50 BFAA in-vitro C[C@@H]1CC(C)(C)C[C@@H]1NC[C@@H]1CC[C@@H](O)C1 235297656 UARBQQOSYIAMLY-LPWJVIDDSA-N 225.376 2.562 0 50 BFAA CCN(CC)C(=O)c1ccc(O)cc1Cl 238233564 BHQWOIIZBXXDKV-UHFFFAOYSA-N 227.691 2.528 0 50 BFAA Cn1nccc1-c1ccc(CN2CCCC2)cc1 426491374 GBAKQQNNTKWEMA-UHFFFAOYSA-N 241.338 2.683 0 50 BFAA CCO[C@@H](C)C(=O)NC1(c2ccccc2C)CC1 426548827 QJJMFCYQJODCHS-LBPRGKRZSA-N 247.338 2.525 0 50 BFAA CCC1CCC2(CC1)O[C@]2(CC)C(=O)OC 669383592 SWTNQJUQLNBYTR-KGPNIALWSA-N 226.316 2.677 0 50 BFAA C=CC(=O)N1c2ccccc2C(C)(C)[C@@H]1C 1262555935 OMTSKBFFQPICMR-JTQLQIEISA-N 215.296 2.885 0 50 BFAA C=CC(=O)Nc1ccc(CN2CCCCC2)cc1 1346090134 BAMPOQGCIFKIFT-UHFFFAOYSA-N 244.338 2.797 0 50 BFAA CC1=C(C)CN(C(=O)Cc2cncc(C)c2)CC1 2325742613 LKVZYYWJNJRJJG-UHFFFAOYSA-N 244.338 2.501 0 50 BFAA CC1CCN(C(=O)[C@@H](C)Oc2ccccc2)CC1 30911 OUHBIQYFCGFHOJ-CYBMUJFWSA-N 247.338 2.712 0 50 BFAA CCc1ccc(-c2ncccc2O)cc1N 186224 QJTPCMSEKPTMHQ-UHFFFAOYSA-N 214.268 2.599 0 50 BFAA biogenic CCOC(CCOc1ccccc1)OCC 399614 NZCOTSBKZQBTGU-UHFFFAOYSA-N 224.300 2.855 0 50 BFAA Cc1ccn2c(=O)cc(-c3ccccc3)nc2c1 1636779 GZKULHFHGSQYTP-UHFFFAOYSA-N 236.274 2.670 0 50 BFAA CC(C)c1ccc(C(=O)CCC(=O)O)cc1 1686752 CRTBQADLERFRSD-UHFFFAOYSA-N 220.268 2.858 0 50 BFAA biogenic COC(=O)c1cccc(C)c1Br 2516931 QAOFGUXVDAZKBW-UHFFFAOYSA-N 229.073 2.544 0 50 BFAA in-vitro O=C1CCCCN1c1cccc(Cl)c1 2524359 QMCIOETXUFJTAK-UHFFFAOYSA-N 209.676 2.857 0 50 BFAA in-vitro COc1cc(OC(F)(F)F)ccc1C(C)=O 2527887 YAMJXZPRMMJVTQ-UHFFFAOYSA-N 234.173 2.796 0 50 BFAA O=Cc1ccc(-c2ccccc2C(=O)O)cc1 2580941 VOHABWOWKDXZIM-UHFFFAOYSA-N 226.231 2.864 0 50 BFAA in-vitro Nc1cccc(Br)c1Cl 6091652 HKNLHCGTRMCOLV-UHFFFAOYSA-N 206.470 2.685 0 50 BFAA in-vitro C[C@H]1CCCCN1CCOc1ccccc1C=O 6681922 AIUSVEIXGVNEFE-ZDUSSCGKSA-N 247.338 2.752 0 50 BFAA CCCn1c([C@H](O)CC)nc2ccccc21 7548705 LMPLMPRIWDMDSQ-GFCCVEGCSA-N 218.300 2.890 0 50 BFAA Nc1cc(-c2cccc(C(F)(F)F)c2)no1 8729874 RSEUZDISEUUYML-UHFFFAOYSA-N 228.173 2.943 0 50 BFAA in-vitro Cc1ccc(CCC(=O)Nc2cccnc2)cc1 10313847 LQIJLRNUWBSNFI-UHFFFAOYSA-N 240.306 2.961 0 50 BFAA CCCNC(=O)c1ccc(N2CCCCC2)cc1 14398550 LORSZRRJHLHYOZ-UHFFFAOYSA-N 246.354 2.817 0 50 BFAA O=C(O)CCSc1c[nH]c2ccccc12 19735378 VTEKIXUQAPZEIB-UHFFFAOYSA-N 221.281 2.735 0 50 BFAA Nc1nc(Cl)nc2c(Cl)cccc12 26899399 BWHIMSYPTNZFDJ-UHFFFAOYSA-N 214.055 2.519 0 50 BFAA C[C@H](O)c1cc(Br)cs1 39291212 DPTFBIIZOCHASS-BYPYZUCNSA-N 207.092 2.564 0 50 BFAA in-vitro C[C@@]12CC=CC[C@]1(C)CC1(C2)OCCO1 43761743 GZDYZWLAMPNMNY-TXEJJXNPSA-N 208.301 2.886 0 50 BFAA Cc1cccc(OCCNC(=O)C2CCCC2)c1 56825716 DQRMTMKCNNFYIV-UHFFFAOYSA-N 247.338 2.680 0 50 BFAA COc1ccc(F)c(-c2ccccc2CN)c1 67458458 UCDMWNNMNHNXDF-UHFFFAOYSA-N 231.270 2.960 0 50 BFAA O=C(O)c1ccc(-c2ncccc2F)cc1 75877677 PJLFLAVUDJSGDA-UHFFFAOYSA-N 217.199 2.586 0 50 BFAA in-vitro CC(C)(C)OC(=O)N1CCc2cccc(N)c21 77034308 IGGCXTTVKSYIIK-UHFFFAOYSA-N 234.299 2.566 0 50 BFAA O=C(O)Cc1ccc(Br)cc1Cl 78136889 ZCWUQSVZPLUCOZ-UHFFFAOYSA-N 249.491 2.730 0 50 BFAA in-vitro Cc1ccc(NC(=O)N2CCC3(CCC3)C2)cn1 161531270 NAXCNHDTSJYDBY-UHFFFAOYSA-N 245.326 2.798 0 50 BFAA Cc1csc(=O)n1Cc1cc(F)cc(F)c1 225458553 UDNPBRFIAMGAAG-UHFFFAOYSA-N 241.262 2.545 0 50 BFAA CCOC(=O)c1c(C2CCC2)noc1Cl 259402861 BQUVSWBTHACAAC-UHFFFAOYSA-N 229.663 2.772 0 50 BFAA Cc1cc2c(N[C@@H]3CCCOC3)ncnc2s1 301845585 AIMVJRZSWYMQNV-SECBINFHSA-N 249.339 2.591 0 50 BFAA O=C(C[C@@H]1CCc2ccccc21)Nc1cnoc1 604281543 DPCXLAMURQDGBT-NSHDSACASA-N 242.278 2.733 0 50 BFAA C[C@H]1CCCN(c2ncnc3c2SCCC3)C1 1875294967 ZRKGTUOXEODHGU-JTQLQIEISA-N 249.383 2.751 0 50 BFAA COc1ccccc1NC(=O)NC(C)(C)C 395155 ZPAJTYDANWPCMH-UHFFFAOYSA-N 222.288 2.615 0 50 BFAA Cc1ccc(SCCC(=O)NC2CC2)cc1 479709 YRDAIBPPBOQVMB-UHFFFAOYSA-N 235.352 2.756 0 50 BFAA CCn1nccc1C(=O)Nc1cc(F)ccc1C 1428675 YNGOQTICLNSZJL-UHFFFAOYSA-N 247.273 2.603 0 50 BFAA CC(=O)c1coc2cc(Cl)ccc2c1=O 2748009 RUSSGMKKJXFINL-UHFFFAOYSA-N 222.627 2.649 0 50 BFAA CC[C@@H](C)NC(=O)c1cc2ccccc2o1 4839107 JQZILTPLRFQRJS-SECBINFHSA-N 217.268 2.961 0 50 BFAA O=C1N[C@]23CC=CC[C@@]12CCCCCC3 5179831 VFYRKGAMLRZLPZ-QWHCGFSZSA-N 205.301 2.546 0 50 BFAA Cc1cccc(CNC(=O)c2ccco2)c1 6924232 MGZGNQFKTHFECK-UHFFFAOYSA-N 215.252 2.518 0 50 BFAA Cc1c(N)cccc1NC(=O)C1CCCC1 8703445 YAECDYOXTAMELR-UHFFFAOYSA-N 218.300 2.706 0 50 BFAA in-vitro CC(=O)c1cc(N2CCC[C@@H](C)C2)ccc1N 8730159 BWFZBTKGMUYYLX-SNVBAGLBSA-N 232.327 2.708 0 50 BFAA CN(C)c1cc(Cl)nc(-c2ccccc2)n1 14007497 RWXVEFVRLTUGHU-UHFFFAOYSA-N 233.702 2.863 0 50 BFAA Cc1c(N)cccc1C(=O)NC1CCCCC1 19093866 CWCLPHOIZSZWDE-UHFFFAOYSA-N 232.327 2.640 0 50 BFAA COC(=O)c1cc(C)c(Br)c(C)c1 21299320 TZQNPDBABLCTGL-UHFFFAOYSA-N 243.100 2.853 0 50 BFAA O=C(O)C1(c2ccccc2)Cc2ccccc2C1 32004916 BBKINZRUIDZNFC-UHFFFAOYSA-N 238.286 2.808 0 50 BFAA FC(F)(F)Oc1ccc2nsnc2c1 65337097 PMFZQWARKYEPDS-UHFFFAOYSA-N 220.175 2.590 0 50 BFAA in-vitro N[C@@H]1CC[C@@H](Nc2ncc(Cl)cc2Cl)C1 67696408 MJJXSYWKMRKLJT-HTQZYQBOSA-N 246.141 2.680 0 50 BFAA CN1C[C@@H]2CC=CC[C@]2(c2ccccc2)C1 79669363 AHGAVHJUYSTWDF-LSDHHAIUSA-N 213.324 2.836 0 50 BFAA CCc1ccc(C(=O)CC(=O)C(F)(F)F)cc1 100404417 KDDQMNMAUZHOMD-UHFFFAOYSA-N 244.212 2.953 0 50 BFAA CC(C)C(=O)[C@@H]1C[C@H](C(C)C)CCC1=O 112750749 GFCMCMHCUZLQMA-GHMZBOCLSA-N 210.317 2.853 0 50 BFAA CC(C)(O)Cc1ccc(Cl)cc1F 163186181 ORHWMHFVVNURKJ-UHFFFAOYSA-N 202.656 2.793 0 50 BFAA Cc1noc(C)c1CNc1nccn1CC(C)C 232683764 YAESCYZNMZZSKT-UHFFFAOYSA-N 248.330 2.756 0 50 BFAA COc1ccc2c(c1)[C@H]1[C@H]3[C@@H]4[C@H]3[C@H]2[C@H]2[C@@H]1[C@H]42 257358940 XLLZTEORNJNOQZ-MZBWQEOASA-N 210.276 2.628 0 50 BFAA CCc1c(-c2c(OC)cccc2OC)cnn1C 426440260 ILQMYBAOMGBGSB-UHFFFAOYSA-N 246.310 2.667 0 50 BFAA COC(=O)/C=C(\C)CSc1cccc(O)c1 585119023 MYXZIWBOKNCKSX-RMKNXTFCSA-N 238.308 2.604 0 50 BFAA CCn1ncc(C)c1NC(=O)[C@@H]1CC=CCC1 618444006 WLCMFKUSSVKUGO-LLVKDONJSA-N 233.315 2.506 0 50 BFAA O[C@@]1(c2ccccc2)CCN(C2CCCC2)C1 670444384 MVBFYONKFAAYOO-HNNXBMFYSA-N 231.339 2.523 0 50 BFAA C[Si](C)(C)C(SCCN)[Si](C)(C)C 1501018209 CNPJMPZLBBNSSV-UHFFFAOYSA-N 235.545 2.802 0 50 BFAA C=CC(=O)N1CC[C@H](CCOC)c2ccccc21 1776005827 KEHDLMSYQFYJJU-GFCCVEGCSA-N 245.322 2.729 0 50 BFAA O=C(O)c1ccc(CNCc2ccccc2)cc1 258682 XRCNKDDGDMDMDE-UHFFFAOYSA-N 241.290 2.675 0 50 BFAA in-vitro Cc1cc(Br)cc(Cl)c1NC=O 332255 SILBGGNJDNJLCC-UHFFFAOYSA-N 248.507 2.979 0 50 BFAA C[C@H]1C[C@@H]1C(=O)Nc1cc(F)ccc1F 372136 FQBRESKKJAUMQD-XPUUQOCRSA-N 211.211 2.559 0 50 BFAA CCOC(=O)c1ccc(NC(=O)[C@@H](C)CC)cc1 373308 BELVVCQNRFNPHZ-JTQLQIEISA-N 249.310 2.848 0 50 BFAA O=C(O)c1ccccc1-c1ccccc1O 400143 LTDWHGJBVJGQKY-UHFFFAOYSA-N 214.220 2.757 0 50 BFAA in-vitro COC(=O)c1cc2ccccc2cc1OC 403465 MPLSAOVNAXJHHI-UHFFFAOYSA-N 216.236 2.635 0 50 BFAA in-vitro Cc1cc(C)c(C)c(OCC(=O)N2CCCC2)c1 461023 FBIHAYVIQPUCMY-UHFFFAOYSA-N 247.338 2.613 0 50 BFAA CCCCCC12CCC(O)(CC1)CC2=O 2485708 LEZZYYVNWRDDLI-UHFFFAOYSA-N 210.317 2.831 0 50 BFAA CC[C@H](CC[C@H](C)O)C[C@@H]1CCCO1 4087623 WRDHXNUNGYABFV-TUAOUCFPSA-N 200.322 2.743 0 50 BFAA Cc1ccc(CNCc2ccco2)s1 5019458 OWAJYOFWSDNJDT-UHFFFAOYSA-N 207.298 2.939 0 50 BFAA in-vitro CCc1ccccc1OCCN(CC)CC 5023954 PXOZGLVIJASSCZ-UHFFFAOYSA-N 221.344 2.970 0 50 BFAA O=C(CCc1ccc(F)cc1)Nc1cccnc1 25691298 ZNRSBOSRUMVURD-UHFFFAOYSA-N 244.269 2.792 0 50 BFAA O=C(O)c1cccc(-c2cccc(F)c2F)n1 39927824 JUSDDTOOMCUOSY-UHFFFAOYSA-N 235.189 2.725 0 50 BFAA in-vitro Cn1nc(C(C)(C)C)c2[nH]c(C(C)(C)C)nc21 65407172 MMEXNCCWGKTUTR-UHFFFAOYSA-N 234.347 2.891 0 50 BFAA Cc1cc(Cl)ccc1C(=O)[C@@H]1CCCNC1 67908166 ULJWAHUZHQZEOY-SNVBAGLBSA-N 237.730 2.831 0 50 BFAA C1CCC(N2CCN([C@H]3C[C@H]4CC[C@H]3C4)CC2)C1 101238497 DNNZFCPRPFOCHG-DZKIICNBSA-N 248.414 2.735 0 50 BFAA Cc1ccc(-n2c(=O)[nH]c3cc(F)ccc32)cc1 169837381 HNJHEWJHFISXRQ-UHFFFAOYSA-N 242.253 2.766 0 50 BFAA CC(C)N(B1OCc2ccccc2O1)C(C)C 170164471 LBKWVNXGUHDPET-UHFFFAOYSA-N 233.120 2.699 0 50 BFAA CC[C@@H](C)N[C@H](C)CCCC(C)(C)O 200521253 XMVVNMIHLLIKAJ-GHMZBOCLSA-N 201.354 2.704 0 50 BFAA CNCc1nc(C(C)C)sc1Cl 220086094 CGNRJIFPQNMALV-UHFFFAOYSA-N 204.726 2.639 0 50 BFAA Cc1cncc(-c2ccc(N)c(Cl)c2)n1 263625052 WHXKZGHLWUDIEA-UHFFFAOYSA-N 219.675 2.688 0 50 BFAA COc1ccc(-c2ccc(C=O)nc2)c(OC)c1 725345987 HSXWSEFHGFPDMR-UHFFFAOYSA-N 243.262 2.578 0 50 BFAA CC(C)OCc1nc(-c2cocn2)cs1 1615616092 VPKUGLXYGFWBSU-UHFFFAOYSA-N 224.285 2.723 0 50 BFAA COCc1nc(-c2cccc(C(C)C)c2)nn1C 2100534615 PVLDJSDUBFNKOD-UHFFFAOYSA-N 245.326 2.752 0 50 BFAA Nc1nc(-c2ccccc2)cc(C(F)(F)F)n1 136158 ZHXBPRJAAQLLMC-UHFFFAOYSA-N 239.200 2.745 0 50 BFAA CC(C)=CC(=O)N1CCCc2ccccc21 145674 LLDXRZZWHKLVLL-UHFFFAOYSA-N 215.296 2.932 0 50 BFAA CCOC(=O)N(O)c1cccc(Cl)c1 400500 BZQLWRGYQZCYNE-UHFFFAOYSA-N 215.636 2.692 0 50 BFAA O=C(c1cccc(Cl)c1)N1CCCCC1 580872 PJLBZXIQWMUMSC-UHFFFAOYSA-N 223.703 2.966 0 50 BFAA Cc1cc(F)c(C=O)cc1Br 2526753 OIPJSBVLNNCQPF-UHFFFAOYSA-N 217.037 2.709 0 50 BFAA in-vitro CCn1cc(-c2nnc(-c3cccs3)o2)cn1 2800322 HXJYTQHIMDRAFI-UHFFFAOYSA-N 246.295 2.682 0 50 BFAA CCCNC(=O)Nc1cccc(F)c1C 2846966 FORLXVKRIHADFD-UHFFFAOYSA-N 210.252 2.666 0 50 BFAA COc1ccc(C=O)cc1CN1CCC(C)CC1 4837649 YDLSBUYDKUMWHY-UHFFFAOYSA-N 247.338 2.740 0 50 BFAA in-vitro O=C(O)c1cccc(Oc2ccccn2)c1 12370412 LYSIEAIIZBZRCE-UHFFFAOYSA-N 215.208 2.572 0 50 BFAA Cc1noc(C)c1C(=O)N[C@H]1CCCC[C@H]1C 13329519 CXIPWBPNSSYTOB-KCJUWKMLSA-N 236.315 2.600 0 50 BFAA Clc1ccc(CSc2ncn[nH]2)cc1 18190599 IPYLPWUQKVUWGY-UHFFFAOYSA-N 225.704 2.750 0 50 BFAA in-vitro CCc1cc(C(=O)O)ccc1Br 39102863 ACIPPYAWWAWDOL-UHFFFAOYSA-N 229.073 2.710 0 50 BFAA in-vitro CC(=O)Cc1ccc(C(F)(F)F)cc1 39213875 UIPDPUXNQIWJLF-UHFFFAOYSA-N 202.175 2.837 0 50 BFAA in-vitro CCOC(=O)c1nc(Cl)ccc1Cl 47202785 YWFCLGHVIXWPPZ-UHFFFAOYSA-N 220.055 2.565 0 50 BFAA COc1cccc2ccc(-c3ncc[nH]3)nc12 67770955 LCEJCIWIHSFIEW-UHFFFAOYSA-N 225.251 2.634 0 50 BFAA CC(C)(C)OC(=O)c1[nH]nc2ccccc12 89065590 PZCUZCXHRSTAGA-UHFFFAOYSA-N 218.256 2.518 0 50 BFAA Fc1cc(C(F)(F)F)c2nc[nH]c2c1 252587538 YYYYQHNNTLLAEL-UHFFFAOYSA-N 204.126 2.721 0 50 BFAA O=C(O)c1ccc2c(c1)N=C1CCCC[C@H]1C2=O 253533839 VFEWKGFNLIRGJI-SECBINFHSA-N 243.262 2.844 0 50 BFAA Cc1cc(CNc2ccc(F)cc2)ncn1 335597353 MLTLVNBFVMQSMK-UHFFFAOYSA-N 217.247 2.536 0 50 BFAA Cc1[nH]nc2c1CN([C@H]1CCC(C)(C)C1)CC2 1857732937 OEOGFURGEKMLKX-NSHDSACASA-N 233.359 2.655 0 50 BFAA Cc1ccc(NC2=NCCCS2)cc1 93579 JOPKJTCYRRAFMY-UHFFFAOYSA-N 206.314 2.900 0 50 BFAA Cc1nc(-c2ccc(C=O)s2)cs1 158868 OTEBKLSFEFZNAG-UHFFFAOYSA-N 209.295 2.993 0 50 BFAA in-vitro CC(=O)N[C@H]1CCCc2c1[nH]c1ccc(C)cc21 183186 LZCVYJZYDMKSKP-AWEZNQCLSA-N 242.322 2.990 0 50 BFAA CC[C@@H](NC(=O)c1cccnc1)c1ccccc1 318991 GFKDOXOZCHNMPU-CQSZACIVSA-N 240.306 2.963 0 50 BFAA Cc1cnc2sc3ccccc3[n+]2c1C 392312 WKTNSVWYDIWJPN-UHFFFAOYSA-N 215.301 2.652 0 50 BFAA O=C(Nc1ccccc1)Nc1ccncc1 396644 WZYOSMAXXLCTGP-UHFFFAOYSA-N 213.240 2.726 0 50 BFAA C[C@H](N)Cc1c[nH]c2ccc(Cl)cc12 403683 QMKOQSCXSYPIPB-ZETCQYMHSA-N 208.692 2.711 0 50 BFAA Cc1ccc(C(C)C)cc1OCCn1cncn1 618168 FJJUVHWZGFWIRJ-UHFFFAOYSA-N 245.326 2.789 0 50 BFAA CNc1nc(Cl)c(SC)c(Cl)n1 1403289 SRBYFAHJCYQXNV-UHFFFAOYSA-N 224.116 2.547 0 50 BFAA CCOc1ccccc1CNCc1ccncc1 4413588 QPSVJFXMEITMIA-UHFFFAOYSA-N 242.322 2.770 0 50 BFAA CC(=O)Nc1cccc(NC(=O)C(C)(C)C)c1 6563039 LHUOYQIWKGKBBY-UHFFFAOYSA-N 234.299 2.630 0 50 BFAA Cc1cc(=O)c2cc(Br)ccc2[nH]1 8581876 WPSHYKVAGQUPJD-UHFFFAOYSA-N 238.084 2.599 0 50 BFAA in-vitro Oc1ccc(-c2nc3ccccc3o2)cn1 8729886 WBFJUDPHTWHSSS-UHFFFAOYSA-N 212.208 2.595 0 50 BFAA Cc1occc1C(=O)NCCc1ccc(F)cc1 12978139 ROIXTUBZNXFESD-UHFFFAOYSA-N 247.269 2.700 0 50 BFAA Cc1ccc(-n2cc(Br)cn2)cc1 15021152 MGVVMTZNISBYSO-UHFFFAOYSA-N 237.100 2.943 0 50 BFAA in-vitro c1coc(CNC[C@@H]2OCCc3ccccc32)c1 19375507 FPGFMLPVJFJXNM-HNNXBMFYSA-N 243.306 2.683 0 50 BFAA Cc1cnc(Br)c(Cl)c1 21981890 GNNKEUJOCAJOBW-UHFFFAOYSA-N 206.470 2.806 0 50 BFAA in-vitro COc1ccc(-c2noc(C)c2C(C)=O)cc1 38236857 KNNSHHIGZKTGHM-UHFFFAOYSA-N 231.251 2.861 0 50 BFAA in-vitro Cc1cc(Br)sc1C(=O)O 44563519 JFFWMBSFXUTFLN-UHFFFAOYSA-N 221.075 2.517 0 50 BFAA in-vitro Clc1cc(Cl)nc(-c2cccnc2)n1 58049101 RECDDDYREDDCDJ-UHFFFAOYSA-N 226.066 2.845 0 50 BFAA in-vitro COc1ccc([N+](=O)[O-])c(Cl)c1C 143937974 UGKVSGRVEAUYKD-UHFFFAOYSA-N 201.609 2.565 0 50 BFAA OCc1cccc(CNCc2ccsc2)c1 163908251 DZAOCGNIJHMPFS-UHFFFAOYSA-N 233.336 2.530 0 50 BFAA CC(C)(C)CSCCC1OCCO1 225640337 MAAHWHVTFGTMAY-UHFFFAOYSA-N 204.335 2.529 0 50 BFAA Cc1ccc2c(C(=O)O)ccnc2c1Cl 300855972 ICHQQJZQUFFJKD-UHFFFAOYSA-N 221.643 2.895 0 50 BFAA CO[C@H](C)c1ccc(-c2cc(O)ncn2)cc1 1506420203 YEPGEMHYNZGSDG-SECBINFHSA-N 230.267 2.557 0 50 BFAA CC/C=C/c1cc2[nH]c(=N)[nH]c2cc1C 2325816685 WMVHFOWDQNTWMS-SNAWJCMRSA-N 201.273 2.707 0 50 BFAA COc1cccc(C(=O)N2CCC[C@@H](C)C2)c1 30018 JWAHRASSBJEHBM-LLVKDONJSA-N 233.311 2.567 0 50 BFAA O=C(c1cccs1)n1cnc2ccccc21 340568 VQKYXZHQQUSKDH-UHFFFAOYSA-N 228.276 2.786 0 50 BFAA C/C=C(\C)c1nnc(NC(=O)C(C)C)s1 618108 XZVHYXCMBVLLGI-FNORWQNLSA-N 225.317 2.556 0 50 BFAA Cc1cccc(-c2noc(CNC(C)(C)C)n2)c1 6697556 FQHAUZJHUGINPJ-UHFFFAOYSA-N 245.326 2.933 0 50 BFAA CC(=O)CCc1c(C)c2cccc(C)c2[nH]c1=O 8772850 ZBQQMRRWZNQLOE-UHFFFAOYSA-N 243.306 2.667 0 50 BFAA Clc1cc(Br)c2cn[nH]c2c1 14983106 KCDKINCUTSIQAF-UHFFFAOYSA-N 231.480 2.979 0 50 BFAA in-vitro Cc1n[nH]c(C)c1-c1nc(-c2cccs2)no1 19882765 QODRITQLGAEAKX-UHFFFAOYSA-N 246.295 2.805 0 50 BFAA CN1C(=O)c2ccc(Cl)cc2NC1(C)C 57291832 UOCFBOHJXVHADA-UHFFFAOYSA-N 224.691 2.574 0 50 BFAA Cc1cc(O)n2nc(-c3ccc(F)cc3)cc2n1 100536401 KHWYKAJOFJOTEZ-UHFFFAOYSA-N 243.241 2.549 0 50 BFAA O=NN1C[C@@]23CC=CC[C@]2(CCCC3)C1 101046038 PSFGOJUFEIYFLX-RYUDHWBXSA-N 206.289 2.880 0 50 BFAA Brc1ccc2c(c1)OCCC2 108274991 BCDHMTIEVNKNCV-UHFFFAOYSA-N 213.074 2.774 0 50 BFAA COC(=O)c1ccc(C(C)C)c(NC(C)=O)c1 225526107 LNLAIEOPHZBRGT-UHFFFAOYSA-N 235.283 2.555 0 50 BFAA CCCCOc1c(F)ccc(O)c1F 261494355 VQACVLGDBZDLCV-UHFFFAOYSA-N 202.200 2.849 0 50 BFAA CC[C@@H](NC(=O)NC1CCC1)c1ccc(O)cc1 584891401 NVIJBICEXJHINX-CYBMUJFWSA-N 248.326 2.695 0 50 BFAA C[C@@H](N[C@@H]1CCCC1(F)F)c1ccnc(O)c1 926430405 WIGYTHYNYCCPTH-PSASIEDQSA-N 242.269 2.626 0 50 BFAA Cc1c[nH]c2cncc(Br)c12 953047243 XEBXMPICXRAHAP-UHFFFAOYSA-N 211.062 2.634 0 50 BFAA COc1ccc(C(=O)Nc2ccccc2)cc1N 157178 LHMQDVIHBXWNII-UHFFFAOYSA-N 242.278 2.530 0 50 BFAA CC(=O)c1ccc(OC(=O)c2ccco2)cc1 190068 XUUVIPGJOLCNLY-UHFFFAOYSA-N 230.219 2.701 0 50 BFAA Cc1ccccc1C(=O)Nc1ccc(O)cc1 362852 OGBLLVHAQZADRR-UHFFFAOYSA-N 227.263 2.953 0 50 BFAA biogenic C[C@H](O)c1cccc(Br)c1 404020 ULMJQMDYAOJNCC-LURJTMIESA-N 201.063 2.502 0 50 BFAA in-vitro COc1ccc(C(=O)[C@@H]2CCCCC2=O)cc1 500027 SYMNQDJTFGCPSF-GFCCVEGCSA-N 232.279 2.637 0 50 BFAA CC(=O)c1ccccc1N1CCCCC1 1688549 VDRKZEDBPNTPBU-UHFFFAOYSA-N 203.285 2.880 0 50 BFAA in-vitro CCCCC[C@@H]1COCC[C@H]1OC(C)=O 2166742 VSRVCSJJKWDZSH-VXGBXAGGSA-N 214.305 2.535 0 50 BFAA CCCCNC(=O)N(CC)CCCC 3075385 OSYQGCFSJONRTN-UHFFFAOYSA-N 200.326 2.618 0 50 BFAA COC(=O)c1cc2c(Cl)cc(F)cc2[nH]1 4237921 NJDNZFVARLQIDQ-UHFFFAOYSA-N 227.622 2.747 0 50 BFAA in-vitro O=C(Nc1ccc2[nH]ncc2c1)c1cccs1 6448443 ICQPXYOFNYTTBY-UHFFFAOYSA-N 243.291 2.877 0 50 BFAA CC(C)(CSc1ccccc1)C(=O)O 11864498 WZNNKIDVSDAOEL-UHFFFAOYSA-N 210.298 2.890 0 50 BFAA COc1ccccc1CNCCC(C)C 13717922 BPXCAPHRSXXDAD-UHFFFAOYSA-N 207.317 2.831 0 50 BFAA O=C1O[C@@H]2CCCC[C@H]2[C@@H]1c1ccccc1 16990732 NHZLOUXGQVISND-UPJWGTAASA-N 216.280 2.886 0 50 BFAA CN(C)CCNCc1ccc(-c2ccccc2)o1 19872326 SGXGISCEDZWULO-UHFFFAOYSA-N 244.338 2.598 0 50 BFAA CCC(=O)Nc1ccc(C)cc1-c1cnn(C)c1 32590457 OOGNRQFTXMYMSF-UHFFFAOYSA-N 243.310 2.744 0 50 BFAA Clc1cccc(CC2CCNCC2)c1 36155488 CHIQMUCBWUBNNK-UHFFFAOYSA-N 209.720 2.882 0 50 BFAA FC(F)c1ccnc(Br)c1 71773550 IAFLELWFIHZCGT-UHFFFAOYSA-N 208.005 2.782 0 50 BFAA in-vitro COc1ccc([C@@H](C)NC(=O)C(C)(C)C)cc1 72115605 PDZFEDNHRSUAIX-SNVBAGLBSA-N 235.327 2.919 0 50 BFAA Cc1cc(N[C@@H](C)c2ncc(C)s2)ncn1 125195908 ZPRSXULJGXKENG-VIFPVBQESA-N 234.328 2.723 0 50 BFAA Fc1cc(O[C@@H]2CCOC2)ccc1Cl 134389706 JEGRBWPGXMTFKG-MRVPVSSYSA-N 216.639 2.647 0 50 BFAA CC(C)CCCCNc1ncnc2oncc12 225504187 GOUNDJJHPVDYJS-UHFFFAOYSA-N 234.303 2.856 0 50 BFAA O=C1NCC[C@@H]1Cc1cccc2ccccc12 229433260 KHKKHHIMHSZDOG-CYBMUJFWSA-N 225.291 2.518 0 50 BFAA Cc1nc(CN2CCC[C@@](C)(F)C2)oc1C 295354684 IWJUGIHMVDXTDD-GFCCVEGCSA-N 226.295 2.615 0 50 BFAA Cc1nc(Cl)c(C=O)cc1Br 307498987 KRWFWSGJWCMUKJ-UHFFFAOYSA-N 234.480 2.618 0 50 BFAA C=CC(=O)N1CC[C@@H](C)[C@@H]1c1ccccc1 1338395867 YPGBWMZBSKRTJO-BXUZGUMPSA-N 215.296 2.782 0 50 BFAA O=C(O)c1cc(F)c(Cl)cc1Cl 56742 KZCWJHUTTSVCRO-UHFFFAOYSA-N 209.003 2.831 0 50 BFAA in-vitro CC(C)c1ccc([C@H](O)c2nccn2C)cc1 170002 KTFZKPOSQZUFQB-ZDUSSCGKSA-N 230.311 2.625 0 50 BFAA O=C(O)[C@H]1C[C@@H]1c1ccc(Br)cc1 215408 DPBUJVBXRABXRH-BDAKNGLRSA-N 241.084 2.637 0 50 BFAA CCOC(=O)CNc1ccc(Cl)cc1C 245925 QCVLGJDOXNKHBP-UHFFFAOYSA-N 227.691 2.623 0 50 BFAA OCc1ccccc1CN1CCCCCC1 357504 JWNZOERCZGLXGZ-UHFFFAOYSA-N 219.328 2.555 0 50 BFAA in-vitro COC(=O)Cc1ccc(Cl)c(Cl)c1 1081502 FWVOAIHAIWHHDM-UHFFFAOYSA-N 219.067 2.709 0 50 BFAA in-vitro CCCCCCC(CC)(C(=O)O)C(=O)O 1734076 ZFUULEVFTWFFKQ-UHFFFAOYSA-N 216.277 2.522 0 50 BFAA O=C(c1ccccc1Cl)N1CCCCC1 2485672 RGFPLHGRASGMSG-UHFFFAOYSA-N 223.703 2.966 0 50 BFAA COc1ccc(OC(=O)c2ccc(O)cc2)cc1 2556859 MTQSVJUCLQYISS-UHFFFAOYSA-N 244.246 2.620 0 50 BFAA in-vitro O=Cc1ccc(OC(=O)C2CCCCC2)cc1 2565450 CKBRDGXEMCBCOR-UHFFFAOYSA-N 232.279 2.985 0 50 BFAA COCCCNc1ccc(-c2ccccc2)nn1 4968269 DGDYBHORICHYIO-UHFFFAOYSA-N 243.310 2.592 0 50 BFAA Cc1csc(NC(=O)OC(C)(C)C)n1 35287627 JGBZPLSFZVKDDV-UHFFFAOYSA-N 214.290 2.799 0 50 BFAA in-vitro Cc1cc(C)c(Br)c(C)n1 39351844 HDIJRNSEQXUVPU-UHFFFAOYSA-N 200.079 2.769 0 50 BFAA in-vitro Fc1ccnc(Cl)c1Br 67802785 LZEIWXPQMDFERY-UHFFFAOYSA-N 210.433 2.637 0 50 BFAA Cc1cc(NCC2=CCCCC2)n2nccc2n1 72448035 RMPFSGQBAWATSC-UHFFFAOYSA-N 242.326 2.950 0 50 BFAA O=C1C[C@H](c2ccc(Cl)c(Cl)c2)CN1 91691848 QZRJFUBGLZHBHU-ZETCQYMHSA-N 230.094 2.597 0 50 BFAA in-vitro COc1ccc(-c2cnc3ccccc3c2)nn1 96149909 UCVIWATVEWLDGA-UHFFFAOYSA-N 237.262 2.700 0 50 BFAA COc1ccc2c(C)c(C(=O)N3CCC3)oc2c1 97679707 TVGXPNHYWCZGCU-UHFFFAOYSA-N 245.278 2.596 0 50 BFAA C[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]2CCCC[C@H]21 152740450 BGWHGSUFDVQZRR-FVCCEPFGSA-N 221.344 2.824 0 50 BFAA CCCC(C)(C)NC(=O)Cc1cccc(N)c1 168813281 LGTNEQCAZPUWDZ-UHFFFAOYSA-N 234.343 2.506 0 50 BFAA Cc1ccc(F)cc1CN(C)Cc1cnccn1 180002154 VREJCTQNHZJAPM-UHFFFAOYSA-N 245.301 2.556 0 50 BFAA O=C1CCCC[C@]1(O)c1ccccc1Cl 212620428 TXHGZWYEGMFTJB-LBPRGKRZSA-N 224.687 2.671 0 50 BFAA CCOC(=O)[C@@H]1[C@@H]2C=C3CCc4cccc(c43)[C@H]21 229863915 LWENPOAPZKOYQS-BPLDGKMQSA-N 240.302 2.923 0 50 BFAA COc1c(Br)ccc2c1CCC2=O 238337090 MKYZWEUUSIEREH-UHFFFAOYSA-N 241.084 2.587 0 50 BFAA CC[C@@H](C)CN1CCc2nc[nH]c2C12CCC2 685943390 LMKKDXDCGZNBTN-LLVKDONJSA-N 233.359 2.693 0 50 BFAA Cc1cc2c[nH]nc2cc1[C@H]1CC[C@H](C)NC1 757209084 FQPWDJGSXDJMFT-QWRGUYRKSA-N 229.327 2.727 0 50 BFAA C=CC(=O)Nc1ccc2c(cnn2C(F)F)c1 863971360 QFUFJNCMJZNCKW-UHFFFAOYSA-N 237.209 2.556 0 50 BFAA Cc1cccnc1N1CCC[C@@]2(CCC[C@H]2O)C1 1772703631 HLWHNVDMLSYILA-HIFRSBDPSA-N 246.354 2.521 0 50 BFAA O=C(O)c1ccc(F)cc1C(F)(F)F 56984 JUHPDXOIGLHXTC-UHFFFAOYSA-N 208.110 2.543 0 50 BFAA in-vitro NCCc1c[nH]c2c(Cl)cc(Cl)cc12 174897 MOPMGVMKLSZZPB-UHFFFAOYSA-N 229.110 2.976 0 50 BFAA biogenic,in-vitro Cc1cc2c(c(C)nn2-c2ccccc2)c(=O)o1 311360 QFLNHAGJDXPCGY-UHFFFAOYSA-N 240.262 2.596 0 50 BFAA COc1ccccc1C(=O)NCc1cccs1 376295 JKZUWWJGVCFITI-UHFFFAOYSA-N 247.319 2.687 0 50 BFAA Fc1cc(F)c(Br)c(F)c1 407106 PZBSPSOGEVCRQI-UHFFFAOYSA-N 210.980 2.866 0 50 BFAA biogenic,in-vitro NC(=O)N[C@H](c1ccccc1)c1ccc(F)cc1 437856 OBBMUAXVUXGLFI-CYBMUJFWSA-N 244.269 2.583 0 50 BFAA CCc1ccc2[nH]c(C)c(CCN)c2c1 1235026 YBAHBXOFJABHRE-UHFFFAOYSA-N 202.301 2.540 0 50 BFAA in-vitro C[C@H](C(=O)O)c1ccc(C[C@@H]2CCCC2=O)cc1 1846129 YMBXTVYHTMGZDW-GWCFXTLKSA-N 246.306 2.786 0 50 BFAA world Cc1c(C(=O)O)cnn1-c1cccc(Cl)c1 2532530 KGGIPUUYWUXTSR-UHFFFAOYSA-N 236.658 2.532 0 50 BFAA CCOCCC(=O)N(Cc1ccccc1)C(C)C 4829093 BSZQCRJRCCDRLG-UHFFFAOYSA-N 249.354 2.850 0 50 BFAA Fc1ccc(-c2ccc(Cl)nn2)cc1 11567904 LYFFDJDAWPESSH-UHFFFAOYSA-N 208.623 2.936 0 50 BFAA in-vitro Cc1cc(C)c(C)c(OC2CCNCC2)c1 14631901 YPDDHKISJJPNCD-UHFFFAOYSA-N 219.328 2.743 0 50 BFAA CC[C@@H](C)S(=O)(=O)Nc1ccc(C)cc1 24614045 YXBWALPMRXLKAM-SNVBAGLBSA-N 227.329 2.535 0 50 BFAA Cc1ccc(C2(c3nc(C)n[nH]3)CC2)cc1 65371492 LVRPOHMVZONXLG-UHFFFAOYSA-N 213.284 2.501 0 50 BFAA CCCc1nccn1-c1ccc([C@@H](C)O)cc1 65383155 RGYJQOQXAIRAPL-LLVKDONJSA-N 230.311 2.878 0 50 BFAA Cc1cc(N)c(Cl)cc1Br 71792226 PLVOXKOSGFJQEJ-UHFFFAOYSA-N 220.497 2.993 0 50 BFAA COc1cccc(OC2CN(CCC(C)C)C2)c1 72158126 KLXMVKRSISMBIL-UHFFFAOYSA-N 249.354 2.804 0 50 BFAA CC(C)(C)OC(=O)NC1(c2ccccc2N)CC1 217923766 BDASDCWFJWPTMX-UHFFFAOYSA-N 248.326 2.783 0 50 BFAA COc1cccc2c1[C@@H]1[C@@H]3[C@@H]4C=C[C@@H]4[C@@H]2[C@H]13 248264317 YCSMNJDXPUOOSB-GGBDZXIESA-N 210.276 2.938 0 50 BFAA C=CC(=O)Nc1ccccc1N1C[C@H]2CC[C@H]1C2 863971048 CTPYLHCSETVNCY-RYUDHWBXSA-N 242.322 2.800 0 50 BFAA C=CC(=O)N[C@H](c1cccc(C)c1)C(F)(F)F 1775999567 OQTLSXFUTDDGHR-LLVKDONJSA-N 243.228 2.901 0 50 BFAA O=C(c1cccs1)[C@@H](O)c1cccs1 132534 OGWZIOZTPNLTCR-VIFPVBQESA-N 224.306 2.726 0 50 BFAA in-vitro C1CCN(C2CCN(C3CCCC3)CC2)CC1 245374 ZNGCVWLNUBTCFK-UHFFFAOYSA-N 236.403 2.879 0 50 BFAA CO[C@H]1CCCC[C@H]1NCCc1ccccc1 294246 NAMQJTJLKSDSAA-CABCVRRESA-N 233.355 2.776 0 50 BFAA CC[C@@H](C)NC(=O)c1ccc(C)cc1C 514665 UPGJGWBPGRIIKD-LLVKDONJSA-N 205.301 2.832 0 50 BFAA CC[C@H](C)NC(=O)/C=C/c1ccccc1 555143 HOKNEZLZDQSGDN-USKTWTLRSA-N 203.285 2.615 0 50 BFAA Cc1ccccc1NC(=O)N1CCCC1 4833874 WNCGDTFYTQGWJN-UHFFFAOYSA-N 204.273 2.623 0 50 BFAA O=C(CC1CCCC1)NCc1ccccc1 8723339 OARANXGDGJOBKL-UHFFFAOYSA-N 217.312 2.883 0 50 BFAA CC(=O)c1cc(Br)cnc1Cl 12648931 SQKOULMBBLJIKX-UHFFFAOYSA-N 234.480 2.700 0 50 BFAA in-vitro C[C@H](N)[C@H]1C[C@@H]1c1ccc(Br)cc1 20594481 ZDRRHNMZTLAZCG-WHGOUJPWSA-N 240.144 2.900 0 50 BFAA Fc1ccc(CNc2cncc(Cl)n2)cc1 32876593 CRZHXSJHMIMJCK-UHFFFAOYSA-N 237.665 2.881 0 50 BFAA CCOC(=O)c1csc(-c2ccccc2)n1 34117545 UKKGDCGESAFSJY-UHFFFAOYSA-N 233.292 2.987 0 50 BFAA CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NC1CC1 40456145 HKTVAKLTWAWERQ-AWEZNQCLSA-N 247.338 2.739 0 50 BFAA COc1ccc(-c2cccc(C(=O)O)c2)cc1O 65336989 HKMYZFWAPNUGQJ-UHFFFAOYSA-N 244.246 2.766 0 50 BFAA in-vitro COC(=O)c1c[nH]cc1[C@H](C)c1ccccc1 71864056 ILJFLMISHGBYCJ-SNVBAGLBSA-N 229.279 2.953 0 50 BFAA in-vitro Cc1cc(CC(=O)O)cc(C(F)(F)F)c1 85210524 ZRKPLBYMYLSCBD-UHFFFAOYSA-N 218.174 2.641 0 50 BFAA in-vitro C[C@H](N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccco1 134791544 LCUZRMXNMSDHLH-VTPLQMEGSA-N 247.338 2.888 0 50 BFAA C[C@H](N[C@@H](C)[C@H]1CC1(C)C)C(=O)OC(C)(C)C 225611655 YRVKSCJVCHRCEH-GARJFASQSA-N 241.375 2.741 0 50 BFAA CC1(C)C[C@@H]1C(=O)NCC12CCC(CC1)C2 339856323 KLIXJGPNGHDGEQ-IQLKVPPVSA-N 221.344 2.729 0 50 BFAA CC[C@@]1(C)CCCN(c2ncnc3[nH]ccc23)C1 361180854 UUACFNVJLLJWNP-AWEZNQCLSA-N 244.342 2.974 0 50 BFAA CCC(C)(C)[C@@H]1CCC(=O)C[C@@H]1N(C)C 725359766 GTFINJHJLQJGPZ-NEPJUHHUSA-N 211.349 2.722 0 50 BFAA CCc1c(C)nn(C)c1NC(=O)C1CCCCC1 1529168643 JNKLZOPCSVGTNN-UHFFFAOYSA-N 249.358 2.810 0 50 BFAA C=CC(=O)NCc1ccccc1C1CCC1 1875367362 NQCDCGQDTFODGL-UHFFFAOYSA-N 215.296 2.756 0 50 BFAA O=S(=O)(Cc1ccccc1)Nc1ccccc1 29852 AUNYWGYRPIHMLM-UHFFFAOYSA-N 247.319 2.629 0 50 BFAA O=Cc1cccn1-c1ccc(Cl)cc1 165455 NNQOVJLQFYROBU-UHFFFAOYSA-N 205.644 2.943 0 50 BFAA in-vitro CCOC(=O)CCc1c[nH]c2ccccc12 407562 ZMGHKYYNDUANOZ-UHFFFAOYSA-N 217.268 2.664 0 50 BFAA Cc1cccc(NC(=O)c2ccoc2C)n1 999793 MQSPSHBJLCZCOJ-UHFFFAOYSA-N 216.240 2.544 0 50 BFAA CC(=O)CC(=O)Nc1cccc(Cl)c1C 1649126 NBLAONBKZUTBFR-UHFFFAOYSA-N 225.675 2.566 0 50 BFAA in-vitro CN(Cc1ccccc1)C[C@@H]1CCCCC1=O 1670771 SKWKYJAWOSNIAZ-AWEZNQCLSA-N 231.339 2.878 0 50 BFAA in-vitro Cc1ccc(/C=C/c2cc[n+](C)cc2)cc1 2156549 XABDVWTUAYITBF-BQYQJAHWSA-N 210.300 2.990 0 50 BFAA Nc1nc2cc(C(F)(F)F)ccc2s1 2553997 ARKYDZKUBJMEDX-UHFFFAOYSA-N 218.203 2.897 0 50 BFAA in-vitro CCCCNC(=S)Nc1cccc(OC)c1 2895451 CLAHZRYQUAYFGD-UHFFFAOYSA-N 238.356 2.782 0 50 BFAA COc1ccccc1CNC(=O)C1CCCC1 3614966 LYWLHXAJLPSBEP-UHFFFAOYSA-N 233.311 2.502 0 50 BFAA C[C@@H]1O[C@H](C)[C@@H]2Cc3ccccc3[C@@H]2O1 3995519 SHWFPOIJJLMZKA-PNZRWIHMSA-N 204.269 2.681 0 50 BFAA CC[C@@H](C)n1c(CCCO)nc2ccccc21 12949611 QHRSKPBPUWDGHI-LLVKDONJSA-N 232.327 2.932 0 50 BFAA Fc1ccc2nc(-c3ccccn3)[nH]c2c1 13679485 AUSVDSQFCRIAEX-UHFFFAOYSA-N 213.215 2.764 0 50 BFAA in-vivo CC(=O)Nc1ccc(OC(F)(F)F)cc1C 16159773 PORWMQQDFCDCPW-UHFFFAOYSA-N 233.189 2.852 0 50 BFAA CCN(CCCc1ccccc1)CCN(C)C 19633944 ZYPVKPDOCXGLEH-UHFFFAOYSA-N 234.387 2.503 0 50 BFAA CCCOCCn1cc([C@@H]2CC=CCC2)nn1 67842247 INKAMTUMOXBUPC-GFCCVEGCSA-N 235.331 2.528 0 50 BFAA O=C1CCc2cc(Br)cc(F)c21 85210576 VMPKZIKGIGAVGK-UHFFFAOYSA-N 229.048 2.717 0 50 BFAA in-vitro CC(=O)N(Cc1ccc(F)cc1)C(C)(C)C 123759254 KRXXDNTYJZWLPQ-UHFFFAOYSA-N 223.291 2.973 0 50 BFAA CN(C(=O)C1CC(F)(F)C1)c1ccccc1 335352562 XXLIIHQUZWGRDJ-UHFFFAOYSA-N 225.238 2.695 0 50 BFAA CCOC(=O)/C=C1/C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 757190465 KNNNXRZJFQEFHJ-OGODMDKSSA-N 220.312 2.932 0 50 BFAA Cc1cc2c[nH]nc2cc1[C@H]1CC[C@@H](C)NC1 757209081 FQPWDJGSXDJMFT-MNOVXSKESA-N 229.327 2.727 0 50 BFAA C=CC(=O)N1CC(C)(C)[C@H]1c1ccccc1 952888095 MMYKGASHAHTIBK-CYBMUJFWSA-N 215.296 2.782 0 50 BFAA C=CC(=O)Nc1cc(Cl)cc(C)c1OC 1120554550 RKKSDZNUDFQINV-UHFFFAOYSA-N 225.675 2.782 0 50 BFAA O=C(/C=C/c1ccccc1)N[C@H]1C=CCC1 1461403612 CHQCCELRTCPXSP-NHAQELONSA-N 213.280 2.535 0 50 BFAA O=C(Nc1ccc(F)cc1)c1ccc(O)cc1 131810 KLWSUBIYNNYVJA-UHFFFAOYSA-N 231.226 2.784 0 50 BFAA in-vitro O=C(NC1CCCCC1)C(Cl)(Cl)Cl 254992 JFRFGCASIOOBDA-UHFFFAOYSA-N 244.549 2.806 0 50 BFAA CCC[C@H](C)NC(=O)Cc1ccccc1OC 441753 RLHIJPHMKYMAJF-NSHDSACASA-N 235.327 2.543 0 50 BFAA COc1cc(/C=C/c2ccccc2)oc(=O)c1 899562 DKKJNZYHGRUXBS-BQYQJAHWSA-N 228.247 2.819 0 50 BFAA endogenous,in-man CC[C@@H](C)NC(=O)CCCc1ccccc1 2882470 BUQASXUPXAUPAL-GFCCVEGCSA-N 219.328 2.924 0 50 BFAA CCCCCCC(=O)Nc1ccncc1 2895859 BRTXHVUJJJMBEQ-UHFFFAOYSA-N 206.289 2.991 0 50 BFAA CCc1cccc(OCCN2CCCC2)c1 4845292 XIMYNJJUWMRNFK-UHFFFAOYSA-N 219.328 2.724 0 50 BFAA Cc1cccc2c(Br)n[nH]c12 14983548 JKZPORZZFNBRAY-UHFFFAOYSA-N 211.062 2.634 0 50 BFAA Cc1nc2cc(NC(=O)C(C)(C)C)ccc2[nH]1 20911117 UUKPMQIIEIXLME-UHFFFAOYSA-N 231.299 2.856 0 50 BFAA c1ccc(C2=N[C@@H](C3CCCCC3)CO2)nc1 196469136 UDMCHJFTOGLLHO-CYBMUJFWSA-N 230.311 2.807 0 50 BFAA CCc1cnccc1[C@H](C)NCC(F)(F)F 240569323 GZODPGWUSHWBGK-QMMMGPOBSA-N 232.249 2.857 0 50 BFAA O=C(O)c1ccc(/C=C/Br)s1 685963731 DBZSVMKQKZQCIB-ONEGZZNKSA-N 233.086 2.812 0 50 BFAA CCc1c(C)nn(C)c1NC(=O)[C@@H]1CC=CCC1 1506422025 ZMDDAEGKUCSNHD-LLVKDONJSA-N 247.342 2.586 0 50 BFAA O=C(Cc1ccccc1)c1ccc(O)cc1O 117559 VFQKAJVKZKHVPD-UHFFFAOYSA-N 228.247 2.523 0 50 BFAA biogenic,in-vitro O=C(Nc1cccc(Cl)c1)c1ccccn1 362766 SUYUTNCKIOLMAJ-UHFFFAOYSA-N 232.670 2.987 0 50 BFAA in-vitro COc1cccc(OC)c1C(=O)c1ccccc1 439426 YLETYJUVHBZQHL-UHFFFAOYSA-N 242.274 2.935 0 50 BFAA C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)O 1690231 DMJZZNRMJJGRNF-SECBINFHSA-N 222.284 2.836 0 50 BFAA Cc1cnccc1NC(=O)c1cccs1 4740978 FSOZFNZCNXKUIT-UHFFFAOYSA-N 218.281 2.704 0 50 BFAA CCn1c(CCc2ccccc2)n[nH]c1=S 13115219 IHABNHSBRZLTSX-UHFFFAOYSA-N 233.340 2.746 0 50 BFAA CCCC(=O)c1c(OC)cc(O)c(CC)c1O 15205786 GRQAKVFPDMDUIF-UHFFFAOYSA-N 238.283 2.652 0 50 BFAA biogenic,in-vitro F/C(=C\I)C(F)(F)F 64370196 UNHLMLCCHROJMY-UPHRSURJSA-N 239.937 2.795 0 50 BFAA COc1cccc(-c2ncccc2F)c1 65370408 LETWWINDWBLYOO-UHFFFAOYSA-N 203.216 2.896 0 50 BFAA Cc1ncc(Cl)cc1Br 66327860 QHYZGHIRFIVVRM-UHFFFAOYSA-N 206.470 2.806 0 50 BFAA in-vitro Cc1c(NC(N)=S)cccc1C(F)(F)F 67800226 XYUMJKDINXYQQC-UHFFFAOYSA-N 234.246 2.669 0 50 BFAA CC(C)(C)OC(=O)NCc1cccnc1Cl 91241701 DNTHPLQSAWWVGF-UHFFFAOYSA-N 242.706 2.760 0 50 BFAA Cc1ccc([C@H]2CN(C3CCCCC3)C[C@@H]2N)o1 92081155 ZDFNBMJJNGBZEQ-KBPBESRZSA-N 248.370 2.647 0 50 BFAA C[C@H](O)CCCn1cc(C(=O)O)c2ccccc21 95726650 JKTRSAHBYMWKAA-JTQLQIEISA-N 247.294 2.501 0 50 BFAA in-vitro CCOC(=O)c1cc(F)c(OCC)cc1F 169796002 RVWADNZJDDJOEQ-UHFFFAOYSA-N 230.210 2.540 0 50 BFAA Cc1cc([C@](C)(O)CNCC(C)(C)C)c(C)o1 169998878 SXAGQSCNLXFVON-CQSZACIVSA-N 239.359 2.740 0 50 BFAA CC(C)CCc1nnc(NCc2ccco2)o1 181967449 FQQNMQKCFWXDSY-UHFFFAOYSA-N 235.287 2.863 0 50 BFAA Cc1ccc(F)cc1CN[C@H]1C[C@H]2CC[C@H]1O2 191688342 UONWEWRDJGPRJA-HZSPNIEDSA-N 235.302 2.544 0 50 BFAA CC[C@@H](C)C(=O)N(c1ccccc1)[C@@H]1CCOC1 192079469 LUNLGNSYNGEFEE-TZMCWYRMSA-N 247.338 2.855 0 50 BFAA Cc1csc([C@H](C)NCCOCC(C)C)n1 232728462 PMQYTYIEWSGQDH-NSHDSACASA-N 242.388 2.775 0 50 BFAA O=C(O)CN1CCC[C@H]1CCC1CCCCC1 238156115 OEQQCDPPRDCYRC-ZDUSSCGKSA-N 239.359 2.896 0 50 BFAA C[C@@H]1CCC[C@@H](C)C1N[C@H]1C[C@H]2CC[C@H]1O2 246061458 RFTBWBCXCORDQW-NJMOYASZSA-N 223.360 2.721 0 50 BFAA COc1cccc2c1[C@H]1[C@H]3[C@H]4[C@@H]1[C@@H]1[C@@H]2[C@@H]3[C@@H]41 248250609 PHICXBGTDAEVRO-CGVMYLDHSA-N 210.276 2.628 0 50 BFAA O=C(O)Cc1cc(Cl)cc(Cl)c1F 263623364 GUMPEJAQGRNHCF-UHFFFAOYSA-N 223.030 2.760 0 50 BFAA CC(C)=CCC[C@H](C)CN1CCC[C@H]1CO 299872736 AOSTYZSPTDXKKY-KBPBESRZSA-N 225.376 2.826 0 50 BFAA CC[C@@]12C[C@@H]1CN(Cc1cc(C(C)(C)C)n[nH]1)C2 1775980349 ZBANGLYSHMGYOI-ABAIWWIYSA-N 247.386 2.939 0 50 BFAA C=CC(=O)Nc1cccc(OC(F)F)c1C 1775999247 CUBGEYSZYXAJEO-UHFFFAOYSA-N 227.210 2.721 0 50 BFAA C=CC(=O)Nc1cc(OC)cc(C(F)(F)F)c1 1776003138 BFRCBGVHPWWAGU-UHFFFAOYSA-N 245.200 2.839 0 50 BFAA Cc1ccc([C@@H](C)NC(=O)C2CC=CC2)cn1 1857703542 UUHQHVCCKQWLQQ-LLVKDONJSA-N 230.311 2.533 0 50 BFAA COc1ccc(CNC2CCCC2)c(OC)c1 263102 LSYCGNNWVCZOGE-UHFFFAOYSA-N 235.327 2.736 0 50 BFAA Cc1ccc(S(=O)(=O)c2ccccc2)cc1 394735 YBRXHRWLEFCFEG-UHFFFAOYSA-N 232.304 2.828 0 50 BFAA CCOc1ccc(C(=O)c2ccco2)cc1 400140 ITBMRCNTZQFPOT-UHFFFAOYSA-N 216.236 2.909 0 50 BFAA in-vitro O=C(Nc1ccccn1)C1CCCCC1 409065 FMIVLMJUIUNSRZ-UHFFFAOYSA-N 204.273 2.600 0 50 BFAA CC[C@H](C)NC(=O)COc1ccc(C)cc1C 577632 VXDGEPCGPYYMBJ-LBPRGKRZSA-N 235.327 2.597 0 50 BFAA CCc1cc2c3c(c(=O)oc2cc1O)CCCC3 2551159 ULRCJDZFIIRZIM-UHFFFAOYSA-N 244.290 2.940 0 50 BFAA Cc1ccc(C(=O)N[C@H](C)[C@@H]2CCCO2)cc1C 6730587 PHPBKIILYPSVTQ-OCCSQVGLSA-N 247.338 2.601 0 50 BFAA CCOC(=O)CSc1cc(C)ccc1C 20302524 DHPCJXPYGBAYCS-UHFFFAOYSA-N 224.325 2.959 0 50 BFAA CCC(=O)c1ccc(O)c(Br)c1 32918446 LFFDDMWXMSAFSM-UHFFFAOYSA-N 229.073 2.747 0 50 BFAA O=Cc1cc(-c2ccc(Cl)cc2)no1 34285368 MZFKKXOVOJMARL-UHFFFAOYSA-N 207.616 2.808 0 50 BFAA in-vitro O=C(O)c1ccc(Cl)c(F)c1Cl 35065824 LBOGDFHFACXPKV-UHFFFAOYSA-N 209.003 2.831 0 50 BFAA in-vitro CCCCCN[C@@H](C(=O)O)c1ccccc1 50509095 LLLVXYGATGWKGR-GFCCVEGCSA-N 221.300 2.592 0 50 BFAA Fc1ccc2ncoc2c1Br 95828974 FHNAANRDWTYLRN-UHFFFAOYSA-N 216.009 2.729 0 50 BFAA in-vitro COC(=O)c1ccc(C(F)F)cc1F 116357258 TYTJHROFICJJOJ-UHFFFAOYSA-N 204.147 2.550 0 50 BFAA COC(C)(C)C[C@H](C)NC(=O)c1ccc(C)o1 173815288 MDKXWTZDEKGTKJ-VIFPVBQESA-N 239.315 2.521 0 50 BFAA CCC[C@]1(CN)CCCN1C(=O)OC(C)(C)C 230569041 XPLZPXOEANKHEL-CYBMUJFWSA-N 242.363 2.515 0 50 BFAA C[C@@H](C(=O)O)N1CCC[C@](C)(c2ccccc2)C1 265214924 FEHPBDRDMSFMQL-WFASDCNBSA-N 247.338 2.513 0 50 BFAA Cc1cc2c(N[C@H]3CCCOC3)ncnc2s1 301845587 AIMVJRZSWYMQNV-VIFPVBQESA-N 249.339 2.591 0 50 BFAA Cc1cc(-c2nc(-c3ccccn3)no2)ccn1 345653194 RYEMWDHFNLRXAM-UHFFFAOYSA-N 238.250 2.502 0 50 BFAA CCC[C@H](NC(=O)NCCF)c1cccs1 584901659 WTNUAVZFQPISKO-VIFPVBQESA-N 244.335 2.858 0 50 BFAA C=CC(=O)Nc1ccc2oc(CCC)nc2c1 2069391495 OYVZCVBRQRXAEE-UHFFFAOYSA-N 230.267 2.905 0 50 BFAA CCCC(=O)Nc1ccc(C(=O)OCC)cc1 38436 XBMADEYWGIHEIH-UHFFFAOYSA-N 235.283 2.602 0 50 BFAA C[C@H]1CCCCN1C(=O)c1cccc(F)c1F 89595 YBYVIPVNILNOOQ-VIFPVBQESA-N 239.265 2.979 0 50 BFAA O=C(O)/C=C/c1cccc(C(F)(F)F)c1 119696 KSBWHDDGWSYETA-SNAWJCMRSA-N 216.158 2.803 0 50 BFAA in-vitro O=C(C1CCCC1)N1CCc2ccccc21 140057 XPJLVLSISNLKBS-UHFFFAOYSA-N 215.296 2.766 0 50 BFAA O=C(O)C[C@H]1CCC[C@@H](c2ccccc2)C1=O 276954 WTBDYAFOVHATCN-NEPJUHHUSA-N 232.279 2.614 0 50 BFAA biogenic CO[C@@]1(c2ccccc2)OC(=O)c2ccccc21 1001008 WWROZRYLEDOUCU-HNNXBMFYSA-N 240.258 2.705 0 50 BFAA Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCO2)c(C)c1 1002253 SYHZQNBMJCXCSO-TZMCWYRMSA-N 247.338 2.660 0 50 BFAA O=C1Nc2ccccc2Cc2ccccc21 1728109 NBMZFZYJLLEMDG-UHFFFAOYSA-N 209.248 2.843 0 50 BFAA CCOCCn1cnc2cc(C)c(C)cc21 7542398 SGYBESFHMAYJJJ-UHFFFAOYSA-N 218.300 2.690 0 50 BFAA C[C@@H](O)c1ccc(OC(F)(F)F)cc1 8698323 RFESEZYNEIOJHS-ZCFIWIBFSA-N 206.163 2.639 0 50 BFAA in-vitro CCOC(=O)c1cccc(NC(=O)C(C)(C)C)c1 8936684 XHGANQDHXJHVAV-UHFFFAOYSA-N 249.310 2.848 0 50 BFAA O=C(O)c1cccn1-c1cccc(Cl)c1 12404898 ZVSMRQZUHLURDQ-UHFFFAOYSA-N 221.643 2.829 0 50 BFAA in-vitro Nc1cccc2c[n+](Cc3ccccc3)ccc12 15781017 MRBYVYCKCIXNNU-UHFFFAOYSA-N 235.310 2.758 0 50 BFAA CCNC/C=C/COc1ccccc1OCC 16622006 DBUMOUCBIPQTHZ-BQYQJAHWSA-N 235.327 2.630 0 50 BFAA O=C(O)c1cc2cccc(Br)c2o1 32627707 OPYANDYWSZSRSD-UHFFFAOYSA-N 241.040 2.894 0 50 BFAA in-vitro OCCSc1cccc(Br)c1 55308200 NQYDJXDWLOXBOZ-UHFFFAOYSA-N 233.130 2.534 0 50 BFAA CNc1cc(-c2ccccc2F)nc2ccnn12 72419335 HVRVJYUYNYFWMP-UHFFFAOYSA-N 242.257 2.577 0 50 BFAA Cc1ccccc1[C@@H](CN)N1CCC(C)CC1 95100159 ZYKVFXBMJPZELG-OAHLLOKOSA-N 232.371 2.727 0 50 BFAA CCC[C@@H]1CCC(=O)[C@H](C(=O)C(C)C)C1 112750721 JZHIEWWMIAUPCM-GHMZBOCLSA-N 210.317 2.997 0 50 BFAA C[C@H](CNC1(C)CCOCC1)c1ccccc1 183868035 HOGSETWHSOSSMX-CYBMUJFWSA-N 233.355 2.949 0 50 BFAA CC(C)(C)[C@H]1OCC[C@@H]1CNCc1ccco1 189234939 HPFMJEUIYNTDEN-YPMHNXCESA-N 237.343 2.820 0 50 BFAA CC(=O)OSC(C)(C)[C@H]1CC[C@@H](C)CC1=O 238791369 HGSQLXVPGSWSBL-SCZZXKLOSA-N 244.356 2.982 0 50 BFAA CC(C)c1cc(N(C)Cc2cscn2)ncn1 346940883 JSKJAVUFUJGUBR-UHFFFAOYSA-N 248.355 2.693 0 50 BFAA CCc1nn(C)cc1-c1cc(OC)cc(OC)c1 426415679 VPBYHHZZUJKTFJ-UHFFFAOYSA-N 246.310 2.667 0 50 BFAA COc1cc(-c2ccc(F)cc2C)nc(OC)n1 426423808 WVEXQQFMMVNBPA-UHFFFAOYSA-N 248.257 2.608 0 50 BFAA CCO[C@H](C)c1ccc(-c2n[nH]c(OC)n2)cc1 426470859 OIFPKFQCNOTDRJ-SECBINFHSA-N 247.298 2.578 0 50 BFAA C[C@H]1[C@H](C)CN1C(=O)Nc1ccc(Cl)nc1 821541689 HQAAJGVCAZYDIF-SFYZADRCSA-N 239.706 2.607 0 50 BFAA CSCc1nc(C)nn1Cc1ccc(C)cc1 824920115 RZZYUIGDZXVODQ-UHFFFAOYSA-N 247.367 2.806 0 50 BFAA CC[C@@]12C[C@H]1CN(Cc1ccccc1C(=O)O)C2 1772815770 WARXVOHCFGTYLM-WFASDCNBSA-N 245.322 2.617 0 50 BFAA O=C(NCC[C@@H]1C[C@H]2CC[C@H]1C2)NC12CC(C1)C2 2325756803 DAUQPTGGHACZLP-AWROSEJGSA-N 248.370 2.664 0 50 BFAA C[C@@H]1CC(F)(F)CN1c1ccc2cccnc2n1 2325780935 ZZAROJZXHAZCNW-SECBINFHSA-N 249.264 2.864 0 50 BFAA COc1cc2c(cc1-c1ccncc1C)OCO2 2356152529 NYVQZCQTTVLDHT-UHFFFAOYSA-N 243.262 2.794 0 50 BFAA Cc1ccc(OC(C)(C)C(=O)O)c2c1CCC2 132530 WIBSAUIOPNFINN-UHFFFAOYSA-N 234.295 2.726 0 50 BFAA Fc1cccc(NC(=S)N2CCCC2)c1 315206 GRSLAGARSHFMIW-UHFFFAOYSA-N 224.304 2.618 0 50 BFAA O=Cc1ccc(-c2cn3ccccc3n2)cc1 337597 MEDHSOWGQJBYSH-UHFFFAOYSA-N 222.247 2.814 0 50 BFAA Brc1ccsc1C1OCCCO1 338727 NYLUCQRECPXKJV-UHFFFAOYSA-N 249.129 2.946 0 50 BFAA Cc1ccnc(NC(=O)c2ccccc2C)c1 395814 CZNISKNVRARDQF-UHFFFAOYSA-N 226.279 2.951 0 50 BFAA O=C(c1ccccc1)c1ccsc1C(=O)O 1763566 ZKHLBCVFVQJMBT-UHFFFAOYSA-N 232.260 2.677 0 50 BFAA Brc1ccc(-n2ccnc2)cc1 2528151 SERULNRLZWOYPK-UHFFFAOYSA-N 223.073 2.635 0 50 BFAA in-vitro CCOCCCNC(=O)[C@@H](CC)c1ccccc1 2729987 RNNXMLCPTQZDCP-AWEZNQCLSA-N 249.354 2.723 0 50 BFAA CCCNC(=O)c1ccc(C)cc1Cl 2878401 QCZOUDYEWYAGAS-UHFFFAOYSA-N 211.692 2.788 0 50 BFAA CCCCOc1ccc(C(=O)O)cc1OCC 2890740 HEEGBVYBSCWQJP-UHFFFAOYSA-N 238.283 2.962 0 50 BFAA in-vitro Cc1ccc(CNC(=O)c2ccccc2)cc1 3554467 XFZNIUMLNKPJGO-UHFFFAOYSA-N 225.291 2.925 0 50 BFAA COc1ccc(Cl)cc1[C@@H]1CCCN1 3732276 ICPVCIRAZRJSSN-JTQLQIEISA-N 211.692 2.773 0 50 BFAA in-vitro Cc1ccc(NC(=O)CC(C)C)cc1N 8703520 BKALDVATHWWULE-UHFFFAOYSA-N 206.289 2.562 0 50 BFAA in-vitro Brc1ccc([C@H]2CCNC2)cc1 19785233 HXTSCISDZDBQEK-VIFPVBQESA-N 226.117 2.526 0 50 BFAA in-vitro CC(C)(C)c1ccc(C(=O)N[C@H]2CCOC2)cc1 20999879 VMQPYWRGAOXHTA-ZDUSSCGKSA-N 247.338 2.503 0 50 BFAA Nc1ncc(-c2cccc3ccsc23)cn1 32507746 YVPKKMDVPRMOBE-UHFFFAOYSA-N 227.292 2.941 0 50 BFAA COc1cccc(N[S@@](=O)C(C)(C)C)c1 39289718 FLKLYWNTOLRJAF-OAHLLOKOSA-N 227.329 2.569 0 50 BFAA CCC(=O)Oc1ccc(C(=O)CC)cc1C 44123585 BQDSIYAPJSERMQ-UHFFFAOYSA-N 220.268 2.903 0 50 BFAA Cc1ccc(F)cc1-c1ccccc1C(N)=O 67473228 ZOEZMFCQLZBVDX-UHFFFAOYSA-N 229.254 2.900 0 50 BFAA COc1ccc([C@H](C)Nc2ncccn2)cc1F 91849102 YMKOZCVPAINFRT-VIFPVBQESA-N 247.273 2.797 0 50 BFAA O=C(O)c1cc(OC(F)(F)F)ccc1Cl 95642853 ISTISDWJBPDHOU-UHFFFAOYSA-N 240.564 2.937 0 50 BFAA in-vitro CCC(=O)NCC1C2CC3CC(C2)CC1C3 161842040 RPUYRFREVQMWJQ-UHFFFAOYSA-N 221.344 2.585 0 50 BFAA CCOC(=O)c1[nH]cc(C)c1C(F)(F)F 196730084 LWMRUFRJVPJQFU-UHFFFAOYSA-N 221.178 2.519 0 50 BFAA Cc1cc(Br)c(Cl)cc1NC=O 242687777 UVJWFIINASCRKL-UHFFFAOYSA-N 248.507 2.979 0 50 BFAA C[C@@H]1CCSCCN1CCCCCF 253416966 YOPNPUBWIPXRHN-LLVKDONJSA-N 219.369 2.954 0 50 BFAA COc1cccc(-c2ccc3nc(C)nn3c2)c1 426445674 SVWZQTHYIQTDMZ-UHFFFAOYSA-N 239.278 2.713 0 50 BFAA COc1ccc(-c2nccn2C2CC2)cc1 1875243656 QTYGTGVBUHHJPM-UHFFFAOYSA-N 214.268 2.894 0 50 BFAA CN1CCC[C@H](Cn2ccnc2C2CCCC2)C1 1875246697 JYGKWIQODBRYGV-ZDUSSCGKSA-N 247.386 2.883 0 50 BFAA CCNC(=O)c1cc2c(C)c(Cl)ccc2[nH]1 2325769739 GPGCGGBEWHPTRQ-UHFFFAOYSA-N 236.702 2.879 0 50 BFAA Cc1nc2nc(-c3ccc(F)cc3)cn2nc1C 54366 ORWDLSSACCSDRT-UHFFFAOYSA-N 242.257 2.547 0 50 BFAA O=C(O)/C=C/c1ccc(F)c(Br)c1 57073 ZNIGVADAKXOMQH-DUXPYHPUSA-N 245.047 2.686 0 50 BFAA biogenic,in-vitro Cc1cc(O)cc(C)c1I 162636 RMJZLNUEDDXELD-UHFFFAOYSA-N 248.063 2.614 0 50 BFAA in-vitro CCOc1cccc(=O)c2c(C)[nH]c(C)c12 297696 CPWPSLFCBWJPTL-UHFFFAOYSA-N 217.268 2.544 0 50 BFAA biogenic COc1ccccc1NC(=O)N1CCC[C@@H](C)C1 400217 JXKIPUVOLRVNQE-LLVKDONJSA-N 248.326 2.959 0 50 BFAA Cc1cccc(-c2noc(CNC(C)C)n2)c1 564328 BZOQGDUPZCXDOT-UHFFFAOYSA-N 231.299 2.543 0 50 BFAA Nc1cccc(-c2ccc(CC(=O)O)cc2)c1 1259914 NAAHKTGYIYVJMX-UHFFFAOYSA-N 227.263 2.563 0 50 BFAA in-vitro CC(C)(C)OP(=O)(O)OC(C)(C)C 1558670 YEWZQCDRZRYAEB-UHFFFAOYSA-N 210.210 2.717 0 50 BFAA in-vitro O=C(O)/C=C/c1c(F)ccc(F)c1Cl 2382120 IHWVLAUNJHXFGN-DAFODLJHSA-N 218.586 2.716 0 50 BFAA in-vitro NCCCCCCCCCCCCO 2385445 IIWXYWWVCBRBCJ-UHFFFAOYSA-N 201.354 2.838 0 50 BFAA in-vitro C[C@@]1(C(=O)Nc2ccc(Cl)cc2Cl)CO1 3913040 KITMQUMEHMRUPB-JTQLQIEISA-N 246.093 2.721 0 50 BFAA CCCn1cc(C=O)c2cc(OC)ccc21 4414656 KNBADAAZAKZNQS-UHFFFAOYSA-N 217.268 2.872 0 50 BFAA Nc1cccc2c1CN(C1CCCCC1)C2=O 8853862 KYEKGHZMKMKCNN-UHFFFAOYSA-N 230.311 2.557 0 50 BFAA C[C@H]1CCCCN1C[C@@H](O)c1ccccc1 13879021 OAOFQUQSNBKOGF-GXTWGEPZSA-N 219.328 2.594 0 50 BFAA FC(F)(F)c1ccncc1Br 16159521 OPNNLECPNPMTMV-UHFFFAOYSA-N 225.995 2.863 0 50 BFAA in-vitro CN1CCCN(C2CCCCCCC2)CC1 19635775 PXRZSYDKPLFQFD-UHFFFAOYSA-N 224.392 2.737 0 50 BFAA O=Cc1csc(-c2cccc(F)c2)n1 35635874 NFHKOFFGHNDDMB-UHFFFAOYSA-N 207.229 2.762 0 50 BFAA in-vitro Cc1cc(CN(C)Cc2cnn(C)c2C)oc1C 65418970 QNDMEPUMXFAZIO-UHFFFAOYSA-N 247.342 2.570 0 50 BFAA COC(=O)c1cc2ccc(Cl)cc2cn1 66054672 CMOINENCXVRJRP-UHFFFAOYSA-N 221.643 2.675 0 50 BFAA in-vitro COC(=O)c1ccc2c(Cl)ccnc2c1 82046545 QUCTXYQKZCLAPW-UHFFFAOYSA-N 221.643 2.675 0 50 BFAA O=[N+]([O-])c1c(O)ccc(Cl)c1Cl 144827566 AXQJTBIZHUSQNN-UHFFFAOYSA-N 208.000 2.607 0 50 BFAA CC(C)(C)CCNc1cnn(-c2ncccn2)c1 170603110 SBXHOOKZLVZQII-UHFFFAOYSA-N 245.330 2.510 0 50 BFAA O=Cc1ccc(OCC(F)(F)F)cc1F 404115377 KOMVKPZSNSWJQG-UHFFFAOYSA-N 222.137 2.579 0 50 BFAA CC1=NO[C@@H](CNCc2ccc(Cl)s2)C1 585116535 ADKMOHVIAFSZNI-MRVPVSSYSA-N 244.747 2.656 0 50 BFAA CCn1cc(Nc2ccnc(C(C)(C)C)n2)cn1 673709340 OSVLOFFPXPWMGC-UHFFFAOYSA-N 245.330 2.734 0 50 BFAA Cc1coc(S[C@H](C)C[C@@H]2CCOC2)n1 1775992482 SUOMPROHRSAVBM-ZJUUUORDSA-N 227.329 2.890 0 50 BFAA O=C1CCCC[C@H]1C(=O)c1ccccc1 88389 YTVQIZRDLKWECQ-LLVKDONJSA-N 202.253 2.629 0 50 BFAA CC(=O)NC1([C@H]2CCCCC2=O)CCCCC1 190535 OGKWIIQZJMKHDJ-LBPRGKRZSA-N 237.343 2.585 0 50 BFAA C[C@@H]1S[C@@H](c2cccc(Cl)c2)NC1=O 208327 DSDPWHIBVHAATJ-WKEGUHRASA-N 227.716 2.590 0 50 BFAA Brc1ccc(Br)nc1 343301 ZHXUWDPHUQHFOV-UHFFFAOYSA-N 236.894 2.607 0 50 BFAA in-vitro CN(C)C(=O)Nc1ccc(Br)cc1 395168 GSNZNZUNAJCHDO-UHFFFAOYSA-N 243.104 2.543 0 50 BFAA CCOc1ccc2c(c1)nc(C)n2CC 441202 XIHZYTFSQWIZFE-UHFFFAOYSA-N 204.273 2.763 0 50 BFAA CCOC(=O)CCCC(=O)c1ccc(C)cc1 2378883 ZFQBLTUWFXVZLG-UHFFFAOYSA-N 234.295 2.911 0 50 BFAA O=C(Nc1nccs1)C1[C@H]2CCCC[C@H]12 3160540 BAWKEKVDOTXEOU-YUMQZZPRSA-N 222.313 2.518 0 50 BFAA CC(=C\c1ccccc1)/C=C1/SC(=N)NC1=O 3899270 VUBYHNMINPSJTP-BIZFVBGRSA-N 244.319 2.772 0 50 BFAA Nc1ncnc2sc3c(c12)CCCCC3 4363396 WKVBWBRXKVWYEO-UHFFFAOYSA-N 219.313 2.542 0 50 BFAA Clc1cccc(Cl)c1CNc1ncn[nH]1 5995938 CFUGURZOKBKZEX-UHFFFAOYSA-N 243.097 2.724 0 50 BFAA CC[C@H](Oc1cccc(C)c1C)C(=O)O 6048937 KSFMZAWHPAXTJY-JTQLQIEISA-N 208.257 2.545 0 50 BFAA in-vitro F[C@H](OC(F)(F)F)C(F)(F)Br 8698310 PJLXAVKTUMSCKH-PVQJCKRUSA-N 246.932 2.806 0 50 BFAA in-vitro O=Cc1cccc(OCCCN2CCCCC2)c1 9261531 VRFBHRVCCZPEFY-UHFFFAOYSA-N 247.338 2.754 0 50 BFAA CCC(=O)Nc1ccc(OC)c2ncccc12 28293574 PGNQTKQSQFHCMP-UHFFFAOYSA-N 230.267 2.592 0 50 BFAA FC(F)(F)c1cccnc1NCc1ccon1 65454240 KFRVTKJKAGFBGB-UHFFFAOYSA-N 243.188 2.701 0 50 BFAA O=C(NC/C=C/c1ccccc1)C1CC=CC1 119864665 DJJQKDHMZZVEHB-RMKNXTFCSA-N 227.307 2.782 0 50 BFAA C/C(=C\c1ccccc1)CN1CC(C(C)(C)O)C1 297501730 WFPGFNCQSJDZAE-UKTHLTGXSA-N 245.366 2.793 0 50 BFAA CCC[C@@H](O)c1ccc(-c2cnn(C)c2)cc1 426492745 FGMAEZJJUOBDJD-CQSZACIVSA-N 230.311 2.921 0 50 BFAA C=CC(=O)NCc1cc2ccc(Cl)cc2[nH]1 1875376256 QDCYTRQYDYSBKW-UHFFFAOYSA-N 234.686 2.624 0 50 BFAA Cc1ccc2c(c1)c1c(n2C)[C@@H](O)CCC1 178923 BBIZIYDTFMVGPV-ZDUSSCGKSA-N 215.296 2.856 0 50 BFAA biogenic Nc1nc2c(s1)C[C@@H](c1ccccc1)CC2 276190 ULKFNJBNISYXTB-JTQLQIEISA-N 230.336 2.998 0 50 BFAA aggregator,in-vitro O=C1c2ccccc2CN1c1ccc(F)cc1 373525 GEGZBSFUOBTQNX-UHFFFAOYSA-N 227.238 2.986 0 50 BFAA Cc1occc1C(=O)N[C@@H](C)C(C)(C)C 1053606 RGDQHHATFFDSSG-VIFPVBQESA-N 209.289 2.752 0 50 BFAA COc1ccc([C@H]2CCCCCN2)cc1 3734861 WWJBDSBGLBEFSH-CYBMUJFWSA-N 205.301 2.900 0 50 BFAA in-vitro COc1ccc(/C=C\c2cccc[n+]2C)cc1 4567069 SOZFNYJOEMCPLP-TWGQIWQCSA-N 226.299 2.690 0 50 BFAA CCC/C=C/c1nc2ccccc2n1CCO 67805943 QFRAUULLVDVUBO-RUDMXATFSA-N 230.311 2.842 0 50 BFAA CC(C)(C)OC(=O)[C@@H]1CCCc2cccnc21 95628793 CDXNIYSYQPAXPX-LLVKDONJSA-N 233.311 2.843 0 50 BFAA in-vitro OC1[C@H]2C=C[C@H]1[C@H]1[C@H]2[C@H]2C=C[C@H]1c1ccccc12 104282868 WERFPVGFROEBJU-QNILMXGZSA-N 236.314 2.846 0 50 BFAA Cc1cc2cc(C(=O)O)[nH]c2cc1Cl 143375050 NPUFXTJJQBCRPW-UHFFFAOYSA-N 209.632 2.828 0 50 BFAA COc1cccc(CC2(C(N)=O)CCCCC2)c1 146940655 ZOQJXPMUTRGHRT-UHFFFAOYSA-N 247.338 2.674 0 50 BFAA CCOC(=O)C[C@H]1CSc2cc(O)ccc21 201463912 HDLOSRDUJRIETJ-QMMMGPOBSA-N 238.308 2.535 0 50 BFAA in-vitro CCCCOc1nccc(O)c1Cl 261493489 CAXPIVZZSOTKOV-UHFFFAOYSA-N 201.653 2.620 0 50 BFAA CCC(F)(F)CSc1nnc2ccccn12 585133133 WJHFLSIOBFRJTN-UHFFFAOYSA-N 243.282 2.867 0 50 BFAA O=C(O)CCc1cccc(C(F)(F)F)c1 154055 YLTJJMIWCCJIHI-UHFFFAOYSA-N 218.174 2.723 0 50 BFAA in-vitro Brc1cnn(-c2ccccc2)c1 284529 DWPRPWBNLNTEFZ-UHFFFAOYSA-N 223.073 2.635 0 50 BFAA biogenic CCOc1ccc(CNCc2ccccn2)cc1 360549 DYWANGKPBKDVFM-UHFFFAOYSA-N 242.322 2.770 0 50 BFAA Clc1ccccc1I 404796 MPEOPBCQHNWNFB-UHFFFAOYSA-N 238.455 2.945 0 50 BFAA OCc1ccc(OCc2ccc(F)cc2)cc1 2555748 FNWSEJASZBRBDB-UHFFFAOYSA-N 232.254 2.897 0 50 BFAA Nc1cnn(Cc2c(Cl)cccc2Cl)c1 2576730 WOBWJVUNZSZELK-UHFFFAOYSA-N 242.109 2.820 0 50 BFAA CCOc1cc2c(cc1OCC)[C@@H](C)NCC2 4262572 WZKQNIZMVKPAPR-SNVBAGLBSA-N 235.327 2.691 0 50 BFAA in-vitro CSc1ccc(CN2CCSCC2)cc1 4990266 DAHDCMHRARAXKM-UHFFFAOYSA-N 239.409 2.957 0 50 BFAA Cc1ccc(O[C@@H](C)C(=O)N2CCCC2)c(C)c1 8498989 WXCRYSDHIREVSX-ZDUSSCGKSA-N 247.338 2.693 0 50 BFAA Cc1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1 14194836 HBWPJYOTLIHNDA-BETUJISGSA-N 219.328 2.604 0 50 BFAA CCCN(CCC)C(=O)c1ccc(O)cc1 19837754 LTPNJBJGAHIXJF-UHFFFAOYSA-N 221.300 2.654 0 50 BFAA Cc1ccc(C)c(NC(=O)c2coc(C)n2)c1 22606330 APONRWLQAPBIRJ-UHFFFAOYSA-N 230.267 2.852 0 50 BFAA FC(F)(F)c1cccc(-n2cccn2)c1 35728273 AWYVWLRVIUZBQI-UHFFFAOYSA-N 212.174 2.891 0 50 BFAA in-vitro CCN[C@]1(c2ccccc2)CCCCC1=O 97758808 IDLSBAANXISGEI-AWEZNQCLSA-N 217.312 2.635 0 50 BFAA in-vitro Fc1cccc(S)c1Br 142245185 HMGKBHFZGRFZKC-UHFFFAOYSA-N 207.067 2.877 0 50 BFAA O[N+]1=N[C@@H]2CCCC[C@H]2N1OCc1ccccc1 225435045 MZCLJZKRZNXEFJ-CHWSQXEVSA-N 248.306 2.514 0 50 BFAA C[C@@H]1C[C@H]1c1nc(-c2cnc3ccccn23)no1 225553462 LNMPVLLCUBCXLA-RKDXNWHRSA-N 240.266 2.508 0 50 BFAA COc1ccc(OC)c2c1[C@H]1[C@H]3C[C@@H]2[C@H]31 247915063 VTSCFAUQUCVNCR-OWMSVYEGSA-N 202.253 2.534 0 50 BFAA C/C=C/CC(=O)N[C@@H](CC)c1cccc(C)n1 584898531 SMQHZCVUFVQOAS-FUEXJSSKSA-N 232.327 2.924 0 50 BFAA Oc1nsc2cccc(Br)c12 725254195 SKQSWWBPKMUEHL-UHFFFAOYSA-N 230.086 2.764 0 50 BFAA CC1CCN(C(=O)[C@H](C)Oc2ccccc2)CC1 30912 OUHBIQYFCGFHOJ-ZDUSSCGKSA-N 247.338 2.712 0 50 BFAA COc1cccc([C@@H]2CCCCC2=O)c1 389802 KACQSVYTBQDRGP-LBPRGKRZSA-N 204.269 2.922 0 50 BFAA CCCC(=O)Nc1ccc(N)cc1Cl 569985 KHTZUSJKQAGWFE-UHFFFAOYSA-N 212.680 2.661 0 50 BFAA Cc1cc(NC(=O)OC(C)(C)C)ccc1N 2547917 RGXHWTGFGABIQF-UHFFFAOYSA-N 222.288 2.924 0 50 BFAA in-vitro Nc1c(C(F)(F)F)cc(Cl)nc1Cl 2555817 BVJJNBRZQVLPIC-UHFFFAOYSA-N 231.004 2.989 0 50 BFAA in-vitro O=Cc1nc(-c2ccccc2)n2ccccc12 3947250 JWNWWOLANIRMII-UHFFFAOYSA-N 222.247 2.814 0 50 BFAA in-vitro Cc1[nH]c2ccccc2c1C1CCNCC1 4202425 AQFCUPJDFCEYNM-UHFFFAOYSA-N 214.312 2.943 0 50 BFAA Cc1cc(Cl)ccc1OCc1cc(O)n[nH]1 4386574 PGGDSDBAWPQICC-UHFFFAOYSA-N 238.674 2.656 0 50 BFAA Cc1cc(C)c(NC(=O)CN2CCCC2)c(C)c1 4867796 SGOVGRICILIGDQ-UHFFFAOYSA-N 246.354 2.646 0 50 BFAA Cc1ccc(NC(=O)NCc2ccncc2)cc1 5740380 NEQVSPAGEOPLGB-UHFFFAOYSA-N 241.294 2.712 0 50 BFAA Cc1n[nH]c(N)c1-c1cccc(Cl)c1 8701428 HOORSUWNFBFXET-UHFFFAOYSA-N 207.664 2.621 0 50 BFAA NC[C@H]1Nc2ccccc2Cc2ccccc21 16696833 FPKDBVUHIXYLNP-OAHLLOKOSA-N 224.307 2.703 0 50 BFAA in-vitro Cc1cc(C)cc(C(=O)N2C[C@H](C)O[C@H](C)C2)c1 17887161 FLSVENHLGXMUBV-BETUJISGSA-N 247.338 2.553 0 50 BFAA O=C(Nc1ccncc1)[C@H]1CC12CCCC2 19112829 CQOLSSNIVQBXQF-LLVKDONJSA-N 216.284 2.600 0 50 BFAA Nc1cc2ccccc2c(Br)n1 19801085 PSQUIUNIVDKHJK-UHFFFAOYSA-N 223.073 2.580 0 50 BFAA in-vitro CSc1cccc(NC(=O)c2coc(C)n2)c1 22538247 WZNFZFRJSGAPFS-UHFFFAOYSA-N 248.307 2.957 0 50 BFAA CCC/C=C/c1cc(C)cnc1-n1cnnc1 67674569 MJRMTGJHBXYPAH-AATRIKPKSA-N 228.299 2.784 0 50 BFAA 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 239296982 DNZSZQJIFXZSPG-IZGDGRQISA-N 236.314 2.668 0 50 BFAA C[C@H](CCCO)N[C@H]1CC(C)(C)C[C@H]1C 252536289 IBPNKNODARGSOY-UTUOFQBUSA-N 213.365 2.562 0 50 BFAA C[C@H]1CCCC[C@@H]1N(C)C(=O)[C@H]1C[C@H]1C 253356192 DRZPSBQCDQSQNS-USZNOCQGSA-N 209.333 2.680 0 50 BFAA CCOc1cc(O)cc(OC(F)(F)F)c1 261494513 ZNASACCGQRRHPU-UHFFFAOYSA-N 222.162 2.690 0 50 BFAA C[C@@H]1CN(Cc2cccnc2)CCC1(F)F 289765765 LAFPVXIKNUIJFP-SNVBAGLBSA-N 226.270 2.559 0 50 BFAA O=C1N[C@@H](c2ccccc2)C12CCCCC2 299805225 DCABXSUPCDBEKV-LBPRGKRZSA-N 215.296 2.808 0 50 BFAA C=CC(=O)N[C@@H](C1CCCC1)C1CCC1 711861915 IDUPCXORFAIAFF-ZDUSSCGKSA-N 207.317 2.648 0 50 BFAA CC(C)(C)Nc1n[nH]c(-c2ccccc2)n1 952876010 MMFSLAPCVBYFAX-UHFFFAOYSA-N 216.288 2.682 0 50 BFAA COC(=O)/C=C/c1ccc(OC(F)(F)F)cc1 165828 MIVYMUINRMQQIT-QPJJXVBHSA-N 246.184 2.771 0 50 BFAA CO[C@H]1CCCC[C@@H]1NCCc1ccccc1 294251 NAMQJTJLKSDSAA-GJZGRUSLSA-N 233.355 2.776 0 50 BFAA CC(C)c1ccccc1NC(=O)c1cnccn1 436943 VXHSJMXTRBPMIZ-UHFFFAOYSA-N 241.294 2.852 0 50 BFAA Cc1ccc(C(=O)N2CCc3ccccc32)o1 475560 BCAWTJYFMQTQTN-UHFFFAOYSA-N 227.263 2.791 0 50 BFAA Cc1cc(O[C@@H](C)C(=O)O)ccc1Cl 1019009 DRKJHOSTQZAYFT-ZETCQYMHSA-N 214.648 2.500 0 50 BFAA in-vitro O=C(O)c1cc2ccccc2nc1C(F)(F)F 2386512 VIUDHZOBRHLGGI-UHFFFAOYSA-N 241.168 2.952 0 50 BFAA CC[C@@H](C)C(=O)Nc1cccc(N)c1C 8703435 HXKFTQFVVHJBJE-MRVPVSSYSA-N 206.289 2.562 0 50 BFAA in-vitro Cc1ccc2c(n1)sc1c(O)cc(O)nc12 12462685 NUEZBCKNVWZLJA-UHFFFAOYSA-N 232.264 2.564 0 50 BFAA Clc1ccc(Br)c2[nH]ncc12 14986094 RFKZBMLAMVPTOP-UHFFFAOYSA-N 231.480 2.979 0 50 BFAA in-vitro O=C(O[C@H]1CCCS1)c1ccccc1 43199194 GFQZMGVKSGNWGT-SNVBAGLBSA-N 208.282 2.697 0 50 BFAA CN(C)c1nc(-c2cccs2)ccc1C(=O)O 49836258 IMZWEHZZDAXLDD-UHFFFAOYSA-N 248.307 2.574 0 50 BFAA Nc1ccnc(-c2ccc3ncccc3c2)c1 65506880 OJMZYIPLJYVIKN-UHFFFAOYSA-N 221.263 2.879 0 50 BFAA CCN1C[C@@H](COc2ccc(C)cc2C)OC1=O 71773768 UZHHZOLBWNDGLF-LBPRGKRZSA-N 249.310 2.523 0 50 BFAA FC(F)(F)[C@H]1CCC[C@H](C(F)(F)F)N1 79387517 APPHZZVNZFLFTE-RFZPGFLSSA-N 221.144 2.622 0 50 BFAA O=c1c2ccccc2sn1C[C@H]1CCCCO1 95385544 LGUUAXKCOSSBFN-SNVBAGLBSA-N 249.335 2.632 0 50 BFAA CCCCCC[C@@H](C(=O)OC)N1CCCCC1 96026714 DLWQURTUDAXMOY-ZDUSSCGKSA-N 241.375 2.984 0 50 BFAA O=C(CC1CCCCCC1)Nc1cn[nH]c1 129561160 QSLQJNLWPUNZRA-UHFFFAOYSA-N 221.304 2.709 0 50 BFAA CC(C)c1noc([C@H]2CCC(=O)C[C@@H]2C)n1 162579435 BJTDUZVYEIXDIB-WPRPVWTQSA-N 222.288 2.666 0 50 BFAA COCN(C[Si](C)(C)C)C(C)(C)C 169952026 PAFOSBJPNZKHIV-UHFFFAOYSA-N 203.402 2.568 0 50 BFAA Fc1cc(CSc2nnc[nH]2)ccc1Cl 225499907 IUIQZAQIRGKMJF-UHFFFAOYSA-N 243.694 2.890 0 50 BFAA C[C@@H]1C[C@@H]1C(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21 252212547 YLSHQKYEVVSIEL-NJMOYASZSA-N 221.344 2.822 0 50 BFAA Cc1cc(OC(F)F)cc(Br)n1 263624412 QFCXREOMZXRHSN-UHFFFAOYSA-N 238.031 2.754 0 50 BFAA Cc1ccc(Br)c(OC(F)F)n1 263625217 XTVDVNKBZQCDTB-UHFFFAOYSA-N 238.031 2.754 0 50 BFAA FC1(F)CC(Cn2cc(Cl)cn2)C1 334577966 GCOQQUJYQXJYHX-UHFFFAOYSA-N 206.623 2.582 0 50 BFAA NC(=O)c1cccc(/C=C/C2CCCCC2)n1 426701348 CVVYJEDLMDBWGY-MDZDMXLPSA-N 230.311 2.774 0 50 BFAA CC(C)(C)[C@@H](N)C1(O)CCCCCCC1 958527760 HIWAUMBDEJRZSO-LLVKDONJSA-N 213.365 2.835 0 50 BFAA O[C@H]1c2cccc(Br)c2CC1(F)F 1775954902 VFJXHOSBHFVREH-QMMMGPOBSA-N 249.054 2.674 0 50 BFAA c1cc2c(c(-c3cn4ccccc4n3)c1)OCC2 2325776965 RIVNIHXZGRHDPW-UHFFFAOYSA-N 236.274 2.936 0 50 BFAA CCOc1ncccc1-c1ccc(O)c(C)n1 2356167742 APYHEUCTNZRNDO-UHFFFAOYSA-N 230.267 2.556 0 50 BFAA O=C(O)c1cncc(-c2cccs2)c1 158696 DFWKRZGYBOVSKW-UHFFFAOYSA-N 205.238 2.508 0 50 BFAA in-vitro COC(=O)c1ccc(Cl)c(Cl)c1 166267 WICGATIORFSOJL-UHFFFAOYSA-N 205.040 2.780 0 50 BFAA biogenic,in-vitro COc1ccccc1NC(=O)c1occc1C 252877 JENQCVPLERTMDF-UHFFFAOYSA-N 231.251 2.849 0 50 BFAA CC(=O)Nc1ccc(C)cc1Br 271044 UUDGTWKIIUEVJD-UHFFFAOYSA-N 228.089 2.716 0 50 BFAA Cc1ccnc(NC(=O)C2CCCC2)c1 383535 ZWMVHWGSFYFHIK-UHFFFAOYSA-N 204.273 2.519 0 50 BFAA CCOc1cc(C=O)ccc1OC(C)C 442816 BONBRXUQMCNSCR-UHFFFAOYSA-N 208.257 2.685 0 50 BFAA in-vitro O=C(NCc1cccc(Cl)c1)c1ccncc1 1054191 VYLRJIIPJWFUKD-UHFFFAOYSA-N 246.697 2.665 0 50 BFAA CCOC(=O)[C@@H]1C[C@H]1c1ccc(C)cc1 2731910 JWOBMCBGTXAJBG-NWDGAFQWSA-N 204.269 2.662 0 50 BFAA CCCc1nc2cc(C(=O)OC)ccc2o1 8729962 GKFXUIGLVKIJGX-UHFFFAOYSA-N 219.240 2.567 0 50 BFAA C[C@H]1O[C@H](c2ccccc2O)[C@H](C)[C@@H](C)O1 12653626 OSYQUVFLQIPNCW-PRFIWBCESA-N 222.284 2.851 0 50 BFAA biogenic CCc1noc(C)c1C(=O)N[C@H](C)C(C)(C)C 13744447 WVIJHKMHAAOWNR-SECBINFHSA-N 238.331 2.710 0 50 BFAA CC(C)OP(=O)(CN(C)C)OC(C)C 22016507 BJOKHSINDZNVFS-UHFFFAOYSA-N 223.253 2.549 0 50 BFAA COc1cc(C)cc(Br)c1 22053275 AOEVRCZZWJWKPG-UHFFFAOYSA-N 201.063 2.766 0 50 BFAA in-vitro Cc1occc1-c1nn2c(C(C)C)nnc2s1 40266284 MQJOUYPIPVBIEI-UHFFFAOYSA-N 248.311 2.878 0 50 BFAA O=Cc1nc2ccccc2cc1Br 71864032 PJFNHALOBWCFMD-UHFFFAOYSA-N 236.068 2.810 0 50 BFAA in-vitro C[C@H](N)Cc1c[nH]c2cc(Cl)c(F)cc12 115662668 NLRUCNFHLCYFCM-LURJTMIESA-N 226.682 2.850 0 50 BFAA C[C@@H]1CNc2ccc(C(F)(F)F)cc2O1 147716811 HWVJNARPWQAWGI-ZCFIWIBFSA-N 217.190 2.898 0 50 BFAA Cc1nsc(N2CC[C@H]3CCCC[C@H]32)n1 248012893 GTEJYDFRXBXOBZ-NXEZZACHSA-N 223.345 2.615 0 50 BFAA Cc1nc(C)c(-c2cnn(CCC(C)C)c2)[nH]1 426382580 AGBKUAQULYPGID-UHFFFAOYSA-N 232.331 2.936 0 50 BFAA Cc1cc(F)cc(-c2c(C)nn(C)c2C(=O)O)c1 534652367 QHXPIDSCDZGWJF-UHFFFAOYSA-N 248.257 2.541 0 50 BFAA C/C=C/CC(=O)N[C@@H](C)c1c(C)nn(CC)c1C 584895044 LGINCMVKPVZXBL-PCGIRMHASA-N 249.358 2.663 0 50 BFAA Oc1ncnc2[nH]cc(-c3ccccc3Cl)c12 2325823297 NDJWOUPOYSNUNU-UHFFFAOYSA-N 245.669 2.984 0 50 BFAA Cc1nn2cccnc2c1-c1ccnc2[nH]ccc12 2356166078 NRDAMVGPDVTWMS-UHFFFAOYSA-N 249.277 2.581 0 50 BFAA O=C1CCC(=O)N1c1ccc(Cl)c(Cl)c1 31530 JPQAYGXNGGHZAG-UHFFFAOYSA-N 244.077 2.647 0 50 BFAA CC(=O)Oc1ccc(C(F)(F)F)cc1 157737 DPPGVFHHZGVZED-UHFFFAOYSA-N 204.147 2.631 0 50 BFAA in-vitro Nc1ccc(NC(=O)Nc2ccccc2)c(O)c1 395093 CPWUEGSLUBOUGX-UHFFFAOYSA-N 243.266 2.618 0 50 BFAA Cc1ccc(SCC(=O)N2CCCC2)cc1 444277 KWHVJEUEUMPYAY-UHFFFAOYSA-N 235.352 2.710 0 50 BFAA CC1CCN(C(=S)c2cccc(O)c2)CC1 521455 KGTKJRHKZFXETB-UHFFFAOYSA-N 235.352 2.800 0 50 BFAA CCCCNC(=S)NC1CCCCC1 2998499 JDJYMJPBWSMDGF-UHFFFAOYSA-N 214.378 2.583 0 50 BFAA CCC(=O)Nc1ccccc1C(=O)NC(C)(C)C 3158979 YSARSJDPQDENCK-UHFFFAOYSA-N 248.326 2.563 0 50 BFAA CNCc1ccc(OC)c2ccccc12 4395807 XKYKAQFAEQFYDF-UHFFFAOYSA-N 201.269 2.568 0 50 BFAA CCC(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 6746102 JHRIVUOYQODOBO-CYBMUJFWSA-N 249.310 2.593 0 50 BFAA CCNC(=O)Cc1coc2c(C)c(C)ccc12 9512048 DNMXAVUZWQKKKK-UHFFFAOYSA-N 231.295 2.728 0 50 BFAA COc1ccc(Br)c(F)c1F 16159486 VZMFIPVRFWZDPI-UHFFFAOYSA-N 223.016 2.736 0 50 BFAA in-vitro CCCCSc1nnc(-c2ccncc2)n1C 16276019 KYOBISIZJXCZHT-UHFFFAOYSA-N 248.355 2.769 0 50 BFAA Cc1cccn2c(=O)cc(-c3ccccc3)nc12 38891730 WHBAXSPPKQWOJX-UHFFFAOYSA-N 236.274 2.670 0 50 BFAA CSc1ccccc1C1(C(=O)O)CCC1 44124823 GAOPRYSAZAKGGF-UHFFFAOYSA-N 222.309 2.915 0 50 BFAA O=C(O)c1ccc(-c2ccc3nc[nH]c3c2)s1 67673222 CBMVFCFWNIFDRS-UHFFFAOYSA-N 244.275 2.990 0 50 BFAA C[C@H](O)c1ccc(-c2ccc(C(N)=O)cc2)cc1 67856800 NWTAIEMQPCNGRE-JTQLQIEISA-N 241.290 2.506 0 50 BFAA CC(=O)NC(C)(C)Cc1ccc(Cl)c(F)c1 218018948 LTTFZSPFRXTAQL-UHFFFAOYSA-N 243.709 2.936 0 50 BFAA Clc1ccc(Cn2ccnc2)c(Cl)n1 236063997 LFQXKQKDSNZGEH-UHFFFAOYSA-N 228.082 2.633 0 50 BFAA C1=CC[C@@]23[C@H]4C=C[C@H]5[C@@H]([C@H]42)C2(C[C@]53C1)OCCO2 257357346 NOIDEWAOKGWJHP-GXYBRJDSSA-N 242.318 2.518 0 50 BFAA COC(=O)Cc1cc(Cl)c(F)c(Cl)c1 260150320 CVOVBXSMVQUMJR-UHFFFAOYSA-N 237.057 2.848 0 50 BFAA Fc1nc(Br)ccc1OC(F)F 263623972 MGRRLENVVVXVPJ-UHFFFAOYSA-N 241.994 2.585 0 50 BFAA C[C@H](C(=O)O)N1CCC[C@](C)(c2ccccc2)C1 265214922 FEHPBDRDMSFMQL-DOMZBBRYSA-N 247.338 2.513 0 50 BFAA O=C(NCCc1cccc(Cl)c1)[C@H]1CC12CC2 421418244 HLXHBCQBUMBYBN-GFCCVEGCSA-N 249.741 2.799 0 50 BFAA CCCc1sc(C(=O)O)cc1-c1cncnc1 534663944 AQJGMIGCYFCQSX-UHFFFAOYSA-N 248.307 2.856 0 50 BFAA C[C@H](c1ccc(F)cc1)N(C)C(=O)OCCF 583651452 MDFLHDNPMVZADE-SECBINFHSA-N 243.253 2.925 0 50 BFAA Fc1ccnc(F)c1/C=C/Br 685964367 CGVSYXMJXIFIDI-HNQUOIGGSA-N 220.016 2.725 0 50 BFAA C[C@H]1C[C@@H](C)N[C@H](C2CCCCC2)[C@@H]1CN 757216125 XYBJZRPJUJXPHN-OIMNJJJWSA-N 224.392 2.528 0 50 BFAA COc1nccnc1N[C@@H](C)C1=CCCCC1 1529144077 HMSKIDFAZUMINO-JTQLQIEISA-N 233.315 2.786 0 50 BFAA CC(=O)N1CC[C@H]2CC[C@@]21c1cccs1 1875272232 JLATXSGDONDZIA-PWSUYJOCSA-N 221.325 2.606 0 50 BFAA CC[C@H](C)NC(=S)NC1CCCCC1 305241 TXOOPHJITPWAFP-VIFPVBQESA-N 214.378 2.582 0 50 BFAA C[C@H](NC1CCCCC1)[C@@H](O)c1ccc(O)cc1 389085 RVCFDYFCYVBHKW-XHDPSFHLSA-N 249.354 2.736 0 50 BFAA CCOC(=O)NCc1ccc(Cl)cc1 442397 AZBJTDJSYADOEC-UHFFFAOYSA-N 213.664 2.586 0 50 BFAA Cc1ccc(C)c(C(=O)Nc2cccnc2)c1 514763 PFUNGNMQHQQBJX-UHFFFAOYSA-N 226.279 2.951 0 50 BFAA COc1cc2cccc(OC)c2cc1C=O 2389427 YBCQBSORAFCHGW-UHFFFAOYSA-N 216.236 2.670 0 50 BFAA CC(C)c1ccc2cc(C(=O)O)[nH]c2c1 3748675 DPDMFBGWQRIYBU-UHFFFAOYSA-N 203.241 2.990 0 50 BFAA in-vitro O[C@H](CN1CCCCCC1)c1ccccc1 4612863 CCWFMRDERJDZCQ-CQSZACIVSA-N 219.328 2.596 0 50 BFAA COCCNCc1ccc(-c2ccccc2F)o1 4868966 IHCSPJXLXPMYFU-UHFFFAOYSA-N 249.285 2.822 0 50 BFAA CCc1cccc2cc(CO)c(Cl)nc12 11727623 QRABYCMGNNSUCD-UHFFFAOYSA-N 221.687 2.943 0 50 BFAA in-vitro CCN1C[C@H](C)[C@@](O)(c2ccccc2)C[C@@H]1C 13152317 XLCYCZFQMQVQNF-KCQAQPDRSA-N 233.355 2.624 0 50 BFAA CC1(C)C[C@]23C(=O)CC[C@H](O)[C@]2(C)CC[C@@H]13 13298579 UHRWOVVMQAASAO-NUZBWSBOSA-N 222.328 2.543 0 50 BFAA biogenic,in-vitro CC(=O)Nc1ccccc1[C@H](O)c1ccccc1 34515207 HZEGZGIYWZMCQN-OAHLLOKOSA-N 241.290 2.727 0 50 BFAA CC(C)(O)c1nc2ccc(Cl)cc2cc1N 35051104 GUHFUVLKYSQIOQ-UHFFFAOYSA-N 236.702 2.698 0 50 BFAA Cc1c(Br)ccc2c(N)ccnc12 36075584 BEYAXBLNXNFZSL-UHFFFAOYSA-N 237.100 2.888 0 50 BFAA in-vitro O=C(O)c1ccc(-c2ccccc2O)cc1F 65340065 WUGOWZVWUWVIBV-UHFFFAOYSA-N 232.210 2.897 0 50 BFAA in-vitro COc1ccc(F)c(Br)c1F 75915368 QNFOZBRZMUNYGW-UHFFFAOYSA-N 223.016 2.736 0 50 BFAA COC(=O)C12[C@@H]3CCC[C@@H]1C32c1ccccc1 100727617 UFFJPNHYMWRIBN-HGWMRPEMSA-N 228.291 2.527 0 50 BFAA O=C1CC[C@H](OCc2ccccc2)C[C@H]1F 166958883 KBAAMMVYXJFIMQ-NWDGAFQWSA-N 222.259 2.663 0 50 BFAA CCCn1ccc(CNC(=O)c2ccoc2C)c1 170614369 RLJHNWNAMXMFJP-UHFFFAOYSA-N 246.310 2.730 0 50 BFAA CN(C)Cc1cccnc1Oc1ccccc1 221272097 LAXPWJPBAANTOS-UHFFFAOYSA-N 228.295 2.936 0 50 BFAA CC(C)(C)[C@H](NCC(=O)O)c1cccs1 236717630 HBFLIPNNQQTIIO-SNVBAGLBSA-N 227.329 2.510 0 50 BFAA CCOCCN(C)Cc1[nH]c2ccccc2c1C 670457656 UAAXSYUDOLWRPR-UHFFFAOYSA-N 246.354 2.945 0 50 BFAA CCCN(Cc1cnc(OC)nc1)C1CCCC1 822907290 QLRJHTQTJAGYBS-UHFFFAOYSA-N 249.358 2.640 0 50 BFAA C[C@@]12C[C@@H]1CN(c1ncnc3sccc13)C2 1772811211 RDPUDZACYLQWDT-PELKAZGASA-N 231.324 2.538 0 50 BFAA COC(=O)c1cc2sc(C=O)cc2s1 1857780105 IZCZQINRUIAOMX-UHFFFAOYSA-N 226.278 2.562 0 50 BFAA CC[C@@H](C)NC(=O)c1ccc(Cl)cc1 75760 YVDLPBBDWKACMC-MRVPVSSYSA-N 211.692 2.868 0 50 BFAA Cc1onc2c1C(=O)C[C@@H](c1ccccc1)C2 196793 NTRHZKGBEZEVMN-NSHDSACASA-N 227.263 2.896 0 50 BFAA CC(=O)CC(=O)Nc1c(Cl)cccc1Cl 296220 JPXHNMQMXTUZGE-UHFFFAOYSA-N 246.093 2.911 0 50 BFAA CCOC(=O)/C=C/c1cn(C)c2ccccc12 336929 HJABZKVWSXXFAN-CMDGGOBGSA-N 229.279 2.755 0 50 BFAA CCC[C@@H](C)NC(=O)Cc1ccccc1OC 441752 RLHIJPHMKYMAJF-LLVKDONJSA-N 235.327 2.543 0 50 BFAA Cc1ccc(SCCC(=O)N(C)C)cc1 470418 LQYXSXYNJWKSML-UHFFFAOYSA-N 223.341 2.565 0 50 BFAA COc1cc(C(=O)O)c(OC)c2ccccc12 2566840 BGJOEOQFJYFEGG-UHFFFAOYSA-N 232.235 2.555 0 50 BFAA CCCCNC(=O)c1cc(Cl)ccc1OC 5465799 LSUHBPKJSSTTBS-UHFFFAOYSA-N 241.718 2.879 0 50 BFAA CC[C@@H](C)NC(=O)N[C@H](C)c1ccc(F)cc1 13746405 QXEBSCYDVKOQAI-NXEZZACHSA-N 238.306 2.984 0 50 BFAA O=C(Cc1ccccc1)C1(O)CCCCCC1 43199230 TWAVDUXINNCUGJ-UHFFFAOYSA-N 232.323 2.884 0 50 BFAA CC(C)[C@@H]1CN(Cc2ccccc2)CCC1=O 138117807 KPGWIAGKEBGZDN-AWEZNQCLSA-N 231.339 2.734 0 50 BFAA CCc1ccsc1C(=O)Nc1nccc(C)n1 194650086 AJRBTIXBBURQTO-UHFFFAOYSA-N 247.323 2.661 0 50 BFAA COc1ccc(-c2cnc3ccc(F)cn23)cn1 426479763 PMSZRDRIYRICAL-UHFFFAOYSA-N 243.241 2.544 0 50 BFAA CCCC(C)(C)Nc1ccc(C(N)=O)cc1 526058854 XBJTZGNQAWNFRJ-UHFFFAOYSA-N 220.316 2.776 0 50 BFAA CC[C@@H]1S[C@H](C)C[C@H](OC(C)=O)[C@H]1C 584904241 JWSCWDYIUHOXAJ-HZQMYPQZSA-N 216.346 2.858 0 50 BFAA O=C(O)c1ncoc1-c1ccccc1Cl 107962 IGBCIBWBDFNAQC-UHFFFAOYSA-N 223.615 2.693 0 50 BFAA in-vitro CC(C)(C)NC(=O)[C@@H]1C[C@@H]1c1ccccc1 301263 TZBSBJOHRGVDKB-VXGBXAGGSA-N 217.312 2.705 0 50 BFAA COc1ccc(C(=O)NCc2ccccc2)cc1 345991 GEFZSLMGZREDTO-UHFFFAOYSA-N 241.290 2.625 0 50 BFAA CCOc1ccc(CNC(=O)c2ccco2)cc1 418012 RZKISNPBMUIXSM-UHFFFAOYSA-N 245.278 2.608 0 50 BFAA O=C(c1cc(-c2ccccc2)on1)N1CCCC1 614622 JDBDMIPWPHEKEQ-UHFFFAOYSA-N 242.278 2.578 0 50 BFAA CCCCNC(=O)Sc1ccc(O)cc1 2143622 VPOXQUZKYSFMNI-UHFFFAOYSA-N 225.313 2.994 0 50 BFAA CN(C)Cc1c[nH]c2ccc(Cl)cc12 2572391 ILGPJIAGKMKHPE-UHFFFAOYSA-N 208.692 2.883 0 50 BFAA in-vitro O=C(O)c1ccccc1C(=O)OC1CCCCC1 3095557 PMDKYLLIOLFQPO-UHFFFAOYSA-N 248.278 2.874 0 50 BFAA biogenic,in-vitro Cc1cc(=O)c2c(C(F)(F)F)cccc2[nH]1 5294975 SNBNCAWFABDEMW-UHFFFAOYSA-N 227.185 2.855 0 50 BFAA Cc1ccc(NC(=O)Nc2ccon2)cc1C 6726646 MEDUPXHOVFOZFX-UHFFFAOYSA-N 231.255 2.935 0 50 BFAA CCCCOc1ccc(O)c(F)c1F 21985198 HQFTTYLLNVHBGT-UHFFFAOYSA-N 202.200 2.849 0 50 BFAA O=C(O)c1ccc2cc(C(F)(F)F)ccc2n1 26474810 LSVFVSVUKCIBHC-UHFFFAOYSA-N 241.168 2.952 0 50 BFAA CC(C)Nc1nc2c(Cl)ncnc2s1 26896958 MRQQYAMBJJWLRQ-UHFFFAOYSA-N 228.708 2.560 0 50 BFAA in-vitro C[C@](O)(c1ccccc1)c1ccccc1N 32233005 MNFIFVDJWVLIMQ-AWEZNQCLSA-N 213.280 2.525 0 50 BFAA CCOC(=O)c1cc(F)ccc1Br 34440147 ODFAIHQRCRQZGM-UHFFFAOYSA-N 247.063 2.765 0 50 BFAA in-vitro CCOC1=NCCN(C)c2ccc(Cl)cc21 71774225 UHJBGZPNJAKWNN-UHFFFAOYSA-N 238.718 2.573 0 50 BFAA Cc1nc(Cl)c2cc(Cl)ncc2n1 85210265 SBKMZNBMKPJHRW-UHFFFAOYSA-N 214.055 2.640 0 50 BFAA Cc1cccc2nc(-c3ncccc3N)n(C)c12 132265447 WTIVPOBOPYIBIU-UHFFFAOYSA-N 238.294 2.526 0 50 BFAA CC(C)[C@@H](NC[C@@H]1CCCC(C)(C)C1)C(=O)O 170090853 RVGLVGIPCAZXPC-VXGBXAGGSA-N 241.375 2.902 0 50 BFAA CC(C)(C)c1nc(CNc2cncnc2)cs1 232087918 SRZMKUNGAVDXAA-UHFFFAOYSA-N 248.355 2.843 0 50 BFAA CC[C@H](C)C(=O)N/N=C1\C[C@H]2C[C@H]1[C@H]1CCC[C@H]12 257364970 SIXOJNKPMKSKOB-OFVHTJOOSA-N 248.370 2.961 0 50 BFAA C[C@H]1C[C@@H](C)NC(C)(C)[C@@]1(O)c1ccccc1 261361554 RBOMJTWXFDAZJC-ZOWXZIJZSA-N 233.355 2.671 0 50 BFAA Cc1cnc(N[C@@H](C)c2cncc(F)c2)nc1C 413388619 RMNULKDGQIXTHP-JTQLQIEISA-N 246.289 2.801 0 50 BFAA C/C(=C/c1ccc(C(=O)O)cc1)c1ncccn1 821017671 LIVRCOQOWPCNKO-KTKRTIGZSA-N 240.262 2.735 0 50 BFAA C=CC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 1336701955 LOIXBQFLOXFZPJ-CHWSQXEVSA-N 215.296 2.625 0 50 BFAA C[C@@H]1CC[C@H]2CN=C(NCC3(C)CCCC3)N2C1 2325864148 HSXAKAOMGQWANO-OLZOCXBDSA-N 249.402 2.626 0 50 BFAA Cc1cccc(CSc2nc(C)cc(=O)[nH]2)c1 142199 INKYLPORZQVSCK-UHFFFAOYSA-N 246.335 2.679 0 50 BFAA CC[C@]1(C)C[C@H](c2csc(N)n2)CCO1 207045 AECHTYJNUUZQBK-LDYMZIIASA-N 226.345 2.788 0 50 BFAA biogenic O=C(O)CSCc1nc2ccccc2s1 241380 AVOKVWUHYIHZBD-UHFFFAOYSA-N 239.321 2.614 0 50 BFAA Fc1cc(F)cc(I)c1 404218 QQCFOQNFPIAENW-UHFFFAOYSA-N 239.990 2.569 0 50 BFAA in-vitro Cc1oc(-c2nc3ccccc3n2C)cc1C=O 442127 HQQZOBMBAKOGQF-UHFFFAOYSA-N 240.262 2.954 0 50 BFAA Oc1cccc2cc(Br)cnc12 1856924 VYGIVXTVBNTOLP-UHFFFAOYSA-N 224.057 2.703 0 50 BFAA in-vitro Cc1cccc(O[C@H](C)C(=O)N2CCCCC2)c1 4832803 STTVCUBVKLWQAB-CYBMUJFWSA-N 247.338 2.775 0 50 BFAA COc1ccc(CN2CCC[C@@H](C)C2)cc1OC 4988908 KRJUFUUNGOOPIN-GFCCVEGCSA-N 249.354 2.936 0 50 BFAA COCCCNCc1cccc2ccccc12 8378586 FBAGNTAHCRSDHU-UHFFFAOYSA-N 229.323 2.966 0 50 BFAA CC(=O)Nc1[nH]nc(-c2ccc(C)cc2)c1C 13111456 SPNOTUPHSQXUSA-UHFFFAOYSA-N 229.283 2.652 0 50 BFAA Clc1ccc(Nc2ncn[nH]2)c(Cl)c1 13545367 MMBZIKRWEQGQBH-UHFFFAOYSA-N 229.070 2.855 0 50 BFAA CC[C@@H](C)NC(=O)NCc1ccc(C)cc1 13746307 WYOUKHKMKZLADU-LLVKDONJSA-N 220.316 2.593 0 50 BFAA O[C@H]1CCCOc2ccc(Br)cc21 62620987 QGEPJFQBBYSBQE-VIFPVBQESA-N 243.100 2.655 0 50 BFAA CCN(CC)CCNNC1CCCCCCC1 71773106 YLOTWOWTYXBQSF-UHFFFAOYSA-N 241.423 2.535 0 50 BFAA O[C@@]12Cc3ccccc3[C@H]3[C@H]1[C@@H]3c1ccccc12 104280059 CWPZWBPNJQBXLL-WCXIOVBPSA-N 234.298 2.941 0 50 BFAA CC(C)CNC(=O)N1CC[C@H](c2ccccc2)C1 119805794 VNSYXZWWOSNDNU-AWEZNQCLSA-N 246.354 2.842 0 50 BFAA Cc1nn(C)c2cc(F)c(Br)cc12 145008348 YKKXTPMGWNSYAE-UHFFFAOYSA-N 243.079 2.783 0 50 BFAA CCC(CC)(CC)CNC(=O)N1CCCO1 225854288 JWFVJAKNVDBMJA-UHFFFAOYSA-N 228.336 2.550 0 50 BFAA CCc1cc(CCCn2ccnc2CC)on1 241965584 UUAVRXPJXWFBJD-UHFFFAOYSA-N 233.315 2.629 0 50 BFAA c1nc(N2CC[C@H](CC3CC3)C2)c2cc[nH]c2n1 334733559 ZLBABUJWJKQGSW-LLVKDONJSA-N 242.326 2.584 0 50 BFAA CC[C@@H](C)C(=O)CC(=O)c1ccoc1C 393746136 ORGIWLZYUYPDOG-MRVPVSSYSA-N 208.257 2.776 0 50 BFAA COc1ccnc(-c2ccc(OC(C)C)cc2)n1 426404396 VCVYVOBRVDRXTM-UHFFFAOYSA-N 244.294 2.939 0 50 BFAA CNC(=O)c1ccc(-c2ccc3[nH]ccc3c2)o1 426716819 FVVMVLHJVNVUCO-UHFFFAOYSA-N 240.262 2.788 0 50 BFAA O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N1CCC[C@H]2C[C@@H]21 585082200 ATHTXIQPWDKBEV-PEDHHIEDSA-N 233.355 2.824 0 50 BFAA CCCc1cnc(C)nc1NC[C@]1(C)CCCO1 670453402 RLWXUEYVEJFJSL-AWEZNQCLSA-N 249.358 2.719 0 50 BFAA Cc1cc(Cl)cc2c1OC[C@H]([C@@H](C)N)C2 675063740 NCOWYIMTFGWVDD-PSASIEDQSA-N 225.719 2.547 0 50 BFAA C=CC(=O)N1CCC[C@@H]1c1cccc(C)c1 952875945 JEPNRVHEAWSHNW-CYBMUJFWSA-N 215.296 2.845 0 50 BFAA O=C(Nc1ccc(Cl)cc1)c1cccnc1 29540 UHINZWOAWHEUAU-UHFFFAOYSA-N 232.670 2.987 0 50 BFAA CC(=O)Oc1ccc2c(c1)c(C(C)=O)c(C)n2C 295551 YTPZPSUHAAWQFL-UHFFFAOYSA-N 245.278 2.615 0 50 BFAA CCc1cccc(CC)c1NC(=O)NC 397178 XXKQOZLWPHOBAL-UHFFFAOYSA-N 206.289 2.563 0 50 BFAA Oc1cc(O)cc(CCc2ccccc2)c1 899122 LDBYHULIXFIJAZ-UHFFFAOYSA-N 214.264 2.883 0 50 BFAA biogenic,in-vitro CCOC(=O)c1csc(Cc2ccccc2)n1 1406908 SJRIITISXFXAMS-UHFFFAOYSA-N 247.319 2.911 0 50 BFAA CCOCCCN[C@@H](C)Cc1ccccc1F 2497434 URRJBMKWYBSZNB-LBPRGKRZSA-N 239.334 2.773 0 50 BFAA CCC[C@@H](C)C(=O)N1C[C@@H](C)C[C@@H](C)C1 2752132 SXNGFYCOKWTRKW-GRYCIOLGSA-N 211.349 2.927 0 50 BFAA Cc1ccc(Cl)c2cc(C(=O)O)[nH]c12 3748663 FWQYHOVIKRXVTJ-UHFFFAOYSA-N 209.632 2.828 0 50 BFAA COC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1 4235087 DOPVUBUBIYMLBJ-UHFFFAOYSA-N 243.184 2.973 0 50 BFAA in-vitro Fc1ccc(-c2ccnc(Cl)n2)cc1 4746962 DGTAWQNEBOGYLH-UHFFFAOYSA-N 208.623 2.936 0 50 BFAA COc1ccc(C)cc1NC(=O)C(C)(C)C 5379945 RKQPBSPRYFVFDA-UHFFFAOYSA-N 221.300 2.988 0 50 BFAA COc1ccc2nc3c(c(N)c2c1)CCCC3 6018808 APQPVVOYBLOJDY-UHFFFAOYSA-N 228.295 2.704 0 50 BFAA in-vivo C[C@@H](Oc1ccc2ccccc2c1)C(=O)N(C)C 12380294 SFKOJHZYAGQIOL-LLVKDONJSA-N 243.306 2.695 0 50 BFAA c1csc(-c2nc3[nH]c4ccccc4n3n2)c1 18283968 FNIVKPMAGUWRKW-UHFFFAOYSA-N 240.291 2.939 0 50 BFAA CCOC(=O)c1cc(Cl)ccc1F 35189023 DQIQQERKWZQXCN-UHFFFAOYSA-N 202.612 2.656 0 50 BFAA COC(=O)c1ccc(C(F)(F)F)cc1C 47202428 OHOAGPKBALLMMS-UHFFFAOYSA-N 218.174 2.800 0 50 BFAA in-vitro CCc1ccc(CN2CCO[C@H]3CCCC[C@@H]32)o1 91978984 CEFOSQKBKDUELF-GJZGRUSLSA-N 249.354 2.985 0 50 BFAA CCOC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 95093212 WKJJNMWERMSARF-DTWKUNHWSA-N 226.222 2.631 0 50 BFAA in-vitro Cc1[nH]ccc1C(=O)N1CCC[C@H]1c1ccco1 176601476 DUXLDVFKCNEHDL-LBPRGKRZSA-N 244.294 2.893 0 50 BFAA C[C@H](O)CN(C)CCc1cccc2ccccc12 192975268 ZBHXTYZHBJVFBV-ZDUSSCGKSA-N 243.350 2.695 0 50 BFAA O=C(O)CCN1CCC[C@@H]1CCc1ccccc1 238160378 PURSBKOHPOBOAJ-CQSZACIVSA-N 247.338 2.558 0 50 BFAA CC(C)C1=C[C@@H]2[C@H](CC[C@@]2(C)O)[C@](C)(O)CC1 238746720 IWQURBSTAIRNAE-GBJTYRQASA-N 238.371 2.891 0 50 BFAA CCN1CCC(N[C@@H]2CCC[C@@H](C)[C@H]2C)CC1 249700859 YCHOAJGUGVCVSR-UMVBOHGHSA-N 238.419 2.885 0 50 BFAA C[C@H](O)c1cccc(-c2cccc(N(C)C)c2)n1 426701405 KJBLQONGYCMVHM-NSHDSACASA-N 242.322 2.868 0 50 BFAA CC(=O)c1c(C)[nH]c(C(=O)OC(C)(C)C)c1C 56664 ANUXYJVRWSTYSY-UHFFFAOYSA-N 237.299 2.789 0 50 BFAA CC[C@H](C)NC(=O)c1ccc(Cl)cc1 75763 YVDLPBBDWKACMC-QMMMGPOBSA-N 211.692 2.868 0 50 BFAA COc1ccc2c(=O)cc(C(F)F)oc2c1 112319 MNXOAJYPPDFAKU-UHFFFAOYSA-N 226.178 2.739 0 50 BFAA biogenic C(=C/c1ccc2c(c1)OCO2)\c1ccncc1 197177 YOBLRHFAUWAOPW-OWOJBTEDSA-N 225.247 2.981 0 50 BFAA CCSc1nncc(-c2ccccc2)n1 244702 ZXMIHSRBAJCBPP-UHFFFAOYSA-N 217.297 2.651 0 50 BFAA O=C(Nc1cccc(O)c1)c1cccc(F)c1 321041 AETSESJFNRQYCO-UHFFFAOYSA-N 231.226 2.784 0 50 BFAA Fc1ccccc1-c1nnc(-c2ccncc2)o1 1231584 PBQFJIAPMHCYOR-UHFFFAOYSA-N 241.225 2.938 0 50 BFAA COC(=O)c1[nH]c2ccccc2c1Cl 1395115 XRPAKOBVNUUWFE-UHFFFAOYSA-N 209.632 2.608 0 50 BFAA in-vitro COC(=O)C[C@@H](C)c1cn(C)c2ccccc12 2548276 QIOUBQLAFUPETC-SNVBAGLBSA-N 231.295 2.845 0 50 BFAA NCc1ccccc1SC(F)(F)F 2560232 YWKFKAJMVJFHMK-UHFFFAOYSA-N 207.220 2.757 0 50 BFAA in-vitro COc1ccc(C(C)=O)c(Br)c1 4245143 YCISNMVJZZPXBG-UHFFFAOYSA-N 229.073 2.660 0 50 BFAA in-vitro Cn1ccnc1SCc1ccccc1 5635118 CXQXVFWIVHBKPJ-UHFFFAOYSA-N 204.298 2.712 0 50 BFAA COc1ccc([C@H](C)NC(=O)C2CCC2)cc1 6742645 TUWTWMRYCPSSOA-JTQLQIEISA-N 233.311 2.673 0 50 BFAA Cc1c(C(F)(F)F)cnc2[nH]ccc12 66054335 BNRHXVANPMHJQB-UHFFFAOYSA-N 200.163 2.890 0 50 BFAA in-vitro CCN[C@H](CC)C(=O)c1ccc2c(c1)CCC2 71535496 VJXZPPKMTRTYIH-CQSZACIVSA-N 231.339 2.746 0 50 BFAA in-vitro CCOC(=O)c1[nH]c2c(Cl)ccnc2c1C 97757507 VVARPNAJTYGWSI-UHFFFAOYSA-N 238.674 2.701 0 50 BFAA in-vitro CC(C)=CCN(CC(N)=O)[C@H](C)c1ccccc1 123847592 MNPFQNRUNZWVSH-CYBMUJFWSA-N 246.354 2.501 0 50 BFAA CO[C@@H]1C[C@@H](c2ccccc2)CCC1=O 146769050 BDWYLSNDWRACPH-WCQYABFASA-N 204.269 2.538 0 50 BFAA in-vitro N[C@@H]1CCc2cc(Br)c(F)cc21 238635197 PAIDTQZFFGGOMH-SECBINFHSA-N 230.080 2.534 0 50 BFAA O=C(O)C[C@H](c1ccccc1F)C(F)F 258722855 BAIUFYNMDGZBFB-SSDOTTSWSA-N 218.174 2.649 0 50 BFAA CCC(CC)(CN[C@H]1CC[C@@H](C)C1)C(=O)O 263061115 MVDCRSGIRHZYEJ-MNOVXSKESA-N 227.348 2.656 0 50 BFAA Cc1cccc(NC(=O)N[C@@H]2CCC2(C)C)n1 287322270 XONWCIFYHOSHKO-SNVBAGLBSA-N 233.315 2.700 0 50 BFAA Cc1ccnc([C@H](C)Nc2nc(C)cc(C)n2)c1 1704353966 QEJJZQMYEJPRKE-LBPRGKRZSA-N 242.326 2.970 0 50 BFAA Cn1c(N)cc2ccc(Br)cc21 1857778172 JKIJKSBPRRHEHV-UHFFFAOYSA-N 225.089 2.523 0 50 BFAA c1cn(C2CC2)c(-c2ccc3c[nH]nc3c2)n1 1875251070 KPRVXGUULKCRNZ-UHFFFAOYSA-N 224.267 2.761 0 50 BFAA O=C(/C=C/c1ccc(F)cc1)NCc1ccco1 259095 HQJCKEAWNSKHRG-VMPITWQZSA-N 245.253 2.748 0 50 BFAA C1=CC[C@@H](CNCc2cccnc2)CC1 333235 XSFRUZPXJJNWFL-GFCCVEGCSA-N 202.301 2.528 0 50 BFAA C[C@@H]1C[C@](CCN)(c2ccccc2)[C@@H](C)CN1C 1296801 XTILSTQWLFVMKB-LZWOXQAQSA-N 246.398 2.633 0 50 BFAA COC1=CC(=O)O[C@@H](/C=C/c2ccccc2)C1 1703459 XEAQIWGXBXCYFX-GUOLPTJISA-N 230.263 2.546 0 50 BFAA aggregator,biogenic,in-man CCc1ccc(C(=O)C(F)(F)F)cc1 2378555 ISFVKKPXBGQFRW-UHFFFAOYSA-N 202.175 2.994 0 50 BFAA CC/C=C/CCOC(=O)c1ccccc1O 5761898 IEPWIPZLLIOZLU-ONEGZZNKSA-N 220.268 2.905 0 50 BFAA CCOC(=O)Cc1ccc(Cl)cc1F 6655630 UNWCPRLQLHLRLY-UHFFFAOYSA-N 216.639 2.585 0 50 BFAA in-vitro O=c1oc(-c2ccco2)c(-c2ccco2)o1 6667844 BKSIYERSQKEAPG-UHFFFAOYSA-N 218.164 2.753 0 50 BFAA CC[C@H](C)Cn1c(CCO)nc2ccccc21 8786052 OOJUWOLZPKRRCN-NSHDSACASA-N 232.327 2.617 0 50 BFAA CCCOc1cccc(NC(=O)CC)c1 12137485 SCSMERLFSADRTR-UHFFFAOYSA-N 207.273 2.824 0 50 BFAA Nc1cc(-c2ccco2)nn1-c1ccccc1 15442841 QLWCNJZKCFQJKN-UHFFFAOYSA-N 225.251 2.715 0 50 BFAA in-vitro Fc1ccccc1CCNCc1ccco1 19841288 CBOLYBVHLMKDFQ-UHFFFAOYSA-N 219.259 2.751 0 50 BFAA CCc1ccccc1O[C@H](C)C(=O)N1CCCC1 20039720 FLKINIJLCVZPFE-GFCCVEGCSA-N 247.338 2.639 0 50 BFAA CCc1cc(-c2cnn(C)c2)ccc1NC(C)=O 32592980 DDMDLQFQLLYXLF-UHFFFAOYSA-N 243.310 2.608 0 50 BFAA COC(=O)c1cc2[nH]ccc2cc1Cl 49582201 OXHPSEFJDMSMRV-UHFFFAOYSA-N 209.632 2.608 0 50 BFAA in-vitro COC(=O)c1cc(Cl)cc2cccnc12 82769932 AARVSKZCFCFPQC-UHFFFAOYSA-N 221.643 2.675 0 50 BFAA N[C@H]1CCCC[C@H]1OCc1cc(F)ccc1F 136332845 IRBCWIBVKKARMS-QWHCGFSZSA-N 241.281 2.751 0 50 BFAA CC(C)[C@H]1CN(Cc2ccccc2)CCC1=O 138117906 KPGWIAGKEBGZDN-CQSZACIVSA-N 231.339 2.734 0 50 BFAA Cc1cc([C@@](C)(O)CNCC(C)(C)C)c(C)o1 169998882 SXAGQSCNLXFVON-AWEZNQCLSA-N 239.359 2.740 0 50 BFAA CC[C@]1(CC(=O)O)CC(=O)c2ccccc2C1 170091813 LLANIAVLHAHRGR-CQSZACIVSA-N 232.279 2.687 0 50 BFAA C[C@H](O)C[C@H](C)CN[C@@H]1CC[C@H](C)[C@H](C)C1 253369840 IQXHOTIPBGZYRD-PDWCTOEPSA-N 227.392 2.808 0 50 BFAA Fc1ncc(Br)cc1OC(F)F 263624504 RDGMZRNDOOKSBP-UHFFFAOYSA-N 241.994 2.585 0 50 BFAA Cc1noc(C(C)C)c1C(=O)N1C[C@H]2CC[C@H]1C2 299072895 QVCPPLQUOHJDSC-QWRGUYRKSA-N 248.326 2.731 0 50 BFAA Cc1nsc(N2CC3(CCCCC3)C2)n1 334345518 OZMNZEMQEXGHLE-UHFFFAOYSA-N 223.345 2.617 0 50 BFAA Cc1ccc(CNCC=C(Cl)Cl)nc1 403799023 DXYOEXHMOZLDGG-UHFFFAOYSA-N 231.126 2.799 0 50 BFAA C[C@@H]1CCC(=O)C[C@H]1OCC1CCCC1 725363098 XXIPUXAQWDOMNZ-ZWNOBZJWSA-N 210.317 2.951 0 50 BFAA C=CC(=O)N1C[C@H](c2ccccc2)C2(CCC2)C1 863970996 ACJFWIWYCLHAKV-CQSZACIVSA-N 241.334 2.969 0 50 BFAA O=C(OCC1CCCC1)c1cccc2[nH]ncc12 918506630 MIBQNGCLFCHOOA-UHFFFAOYSA-N 244.294 2.910 0 50 BFAA COCCCc1nc(-c2cnsc2)cs1 1615586481 ADXGIIPJOOKLBQ-UHFFFAOYSA-N 240.353 2.846 0 50 BFAA Cn1c(C(F)(F)F)nc2ccccc21 196688 YKKYRNSRLGCTDO-UHFFFAOYSA-N 200.163 2.592 0 50 BFAA O=C(NC(=O)c1ccccc1)Nc1ccccc1 1391253 ZWYSLPOHOBPSLC-UHFFFAOYSA-N 240.262 2.649 0 50 BFAA CCCCNC(=O)c1ccc(C)c(C)c1 2912742 XLUHUFGUTRPEKZ-UHFFFAOYSA-N 205.301 2.833 0 50 BFAA C[C@@H](c1ccc(C(=O)O)o1)N1CCCCC1 4690254 GHIVIJCNBBEVPR-VIFPVBQESA-N 223.272 2.525 0 50 BFAA Cc1ccc(C(=O)O)cc1NCc1ccncc1 4935104 RYCJYLUYCRYJQF-UHFFFAOYSA-N 242.278 2.700 0 50 BFAA Cc1ccnc(NC(=O)OC(C)(C)C)c1 6643318 SABMAMDNSRZJBK-UHFFFAOYSA-N 208.261 2.737 0 50 BFAA in-vitro C[C@H](O)c1ccc(OC(F)(F)F)cc1 8698322 RFESEZYNEIOJHS-LURJTMIESA-N 206.163 2.639 0 50 BFAA in-vitro Nc1nnc(-c2cc(Cl)ccc2Cl)o1 11919928 KBDLMNTWTPXEFZ-UHFFFAOYSA-N 230.054 2.626 0 50 BFAA in-vitro Cc1cc(Cl)ccc1NC[C@H]1CCCN1 12404758 GDTPSIGOVSVSCQ-LLVKDONJSA-N 224.735 2.812 0 50 BFAA C/C=C(\C)CN[C@H]1COc2ccccc2C1 12573965 LCYFJMDKHGEPFR-LXRBDXNZSA-N 217.312 2.546 0 50 BFAA Cc1ccccc1CN1CCN(C(C)C)CC1 19789360 BBJDSTKPHMLPRG-UHFFFAOYSA-N 232.371 2.521 0 50 BFAA CCOC(=O)Cc1nc(-c2ccccc2)oc1C 34445411 BIYIMMVCHPSMJI-UHFFFAOYSA-N 245.278 2.756 0 50 BFAA O=c1nc(-c2ccccc2O)oc2ccccc12 39279020 NSWIROGSZPXREF-UHFFFAOYSA-N 239.230 2.561 0 50 BFAA in-vitro CCOC(=O)c1ccc(OC(C)C)c(OC)c1 57960733 AFUNWYQIVFGJJV-UHFFFAOYSA-N 238.283 2.659 0 50 BFAA Cc1cccc2c(-c3ccncn3)c[nH]c12 67678661 CWQFKLGPDUGTJU-UHFFFAOYSA-N 209.252 2.933 0 50 BFAA Cc1cc(O)n2nc(C)c(-c3ccccc3)c2n1 100123079 MQFWNXKYKDQOQV-UHFFFAOYSA-N 239.278 2.719 0 50 BFAA Cc1ccccc1C(=O)CC(=O)C(C)C 112750683 RPNOHKWNMGNIEU-UHFFFAOYSA-N 204.269 2.793 0 50 BFAA O=C(c1ccccc1)c1ccc(F)nc1F 116404037 INYPHEHCTMUQFS-UHFFFAOYSA-N 219.190 2.591 0 50 BFAA C[C@H](Nc1c[nH]nc1-c1ccccn1)C1CC1 191459476 GVYDAKXTRRIKIK-VIFPVBQESA-N 228.299 2.682 0 50 BFAA O[C@@]12CCCC[C@H]1CN(C1CCCC1)CC2 220412199 FFLLZCPRCRLSAY-GXTWGEPZSA-N 223.360 2.556 0 50 BFAA CC1=CCC[C@H](C)[C@@H]1CNC[C@H](C)CCO 253369640 GAKCVXHXPKZVEE-KWCYVHTRSA-N 225.376 2.587 0 50 BFAA CCOC1(OCC)C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]21 254397421 CXXNIJGNUVQONK-NNYUYHANSA-N 210.317 2.822 0 50 BFAA C[C@@H]1CCC[C@H](N2C[C@@H](C)O[C@H](C)C2)C1 299872865 WUHLISYYNMBQLL-LPWJVIDDSA-N 211.349 2.674 0 50 BFAA CC[C@H](NC(=O)NC1CCC1)c1ccc(O)cc1 584891402 NVIJBICEXJHINX-ZDUSSCGKSA-N 248.326 2.695 0 50 BFAA C[C@@H]1CC[C@H](n2cc(-c3ccccn3)nn2)C1 585124322 YUGMKHHONNQGRX-MNOVXSKESA-N 228.299 2.701 0 50 BFAA CN(Cc1ccccc1)Cc1cccnc1 42821 ZWMLLHUPRJKRJE-UHFFFAOYSA-N 212.296 2.714 0 50 BFAA CC(C)=CC(=O)Nc1nc(C)c(C)s1 1903560 AHVKPSCPOZFLCT-UHFFFAOYSA-N 210.302 2.665 0 50 BFAA CCNC(=O)[C@H]1C[C@@H](C)CC[C@@H]1C(C)C 2504554 VUNOFAIHSALQQH-TUAOUCFPSA-N 211.349 2.831 0 50 BFAA endogenous,in-man Cc1cccc(O[C@@H](C)c2n[nH]c(=S)n2C)c1 2522215 NLTQFKRQWMFDAF-VIFPVBQESA-N 249.339 2.926 0 50 BFAA in-vitro Cc1c[nH]c(C(=O)OCc2ccccc2)c1C 2571626 JVVPVNRWUFOIEO-UHFFFAOYSA-N 229.279 2.989 0 50 BFAA CCCCOCCCNC(=O)C1CCCCC1 2992132 CJDXVDOGULUZQE-UHFFFAOYSA-N 241.375 2.890 0 50 BFAA COc1ccccc1Nc1ncccc1C(=O)O 3491487 BEXZOAJWOZFOSM-UHFFFAOYSA-N 244.250 2.532 0 50 BFAA in-vitro CCNCCOc1ccc(Cl)c(C)c1C 6703781 JULVGOYBXZYLNV-UHFFFAOYSA-N 227.735 2.945 0 50 BFAA CCNCCOc1ccc(C(C)C)cc1 6703911 HABAAFPGCQPVIF-UHFFFAOYSA-N 207.317 2.798 0 50 BFAA CCc1ccc(C(=O)NCc2ccncc2)cc1 8383039 MEWZWDWJSOKBDL-UHFFFAOYSA-N 240.306 2.574 0 50 BFAA Nc1ccc2c(c1)CN(CCc1ccccc1)C2 11731073 PXIZBQZMOOIXAP-UHFFFAOYSA-N 238.334 2.827 0 50 BFAA CC(C)c1ccc(/C=C2/SC(=N)NC2=O)cc1 12416568 PKVSFJZQPVKQPQ-YRNVUSSQSA-N 246.335 2.949 0 50 BFAA Cn1nc2c3c(cccc31)C(=O)c1ccccc1-2 14806713 ODZGYELAMAOARP-UHFFFAOYSA-N 234.258 2.785 0 50 BFAA in-vitro c1ccc2cc(CN3CCOCC3)ccc2c1 19634153 GSNFMXQJEVRGBQ-UHFFFAOYSA-N 227.307 2.672 0 50 BFAA CC(C)N(C)CCc1c[nH]c2cccc(O)c12 28003897 RXKGHZCQFXXWFQ-UHFFFAOYSA-N 232.327 2.756 0 50 BFAA in-vitro Nc1ccncc1-c1cccc(-n2cccn2)c1 65396136 MVFDRYZUTKQMCE-UHFFFAOYSA-N 236.278 2.517 0 50 BFAA CCOC(=O)C[C@@H]1CCCCC1(F)F 66324281 METPEYIWWISPRR-QMMMGPOBSA-N 206.232 2.765 0 50 BFAA in-vitro Fc1cccc(F)c1CC[C@@H]1CCCNC1 71738629 YONVUWWUQWSFQK-JTQLQIEISA-N 225.282 2.897 0 50 BFAA Cc1nn(C(=O)OC(C)(C)C)c2ccc(N)cc12 89195683 CXGODNRKGDPRKB-UHFFFAOYSA-N 247.298 2.710 0 50 BFAA Nc1nc2cc(C(=O)c3ccccc3)ccc2o1 97757428 PAXCAXAQROMVLC-UHFFFAOYSA-N 238.246 2.641 0 50 BFAA CC[C@](C)(CCO)NC(=O)C1CCCCCC1 226534131 WEVMEGAFGDRCNF-CQSZACIVSA-N 241.375 2.624 0 50 BFAA Oc1cccc2oc(C(F)(F)F)nc12 231223517 CMROUIFYSJNKBG-UHFFFAOYSA-N 203.119 2.552 0 50 BFAA C[C@@H](c1ccccc1Cl)N1CCC[C@@H](O)C1 249522802 OUTRRWUULVKNCQ-WDEREUQCSA-N 239.746 2.858 0 50 BFAA NC(=O)Nc1cccc(C(F)F)c1Cl 335165231 RANIGNZLBWXHSS-UHFFFAOYSA-N 220.606 2.768 0 50 BFAA CC(C)C(=O)c1ccc(-c2ccnn2C)s1 426541200 DMOVZZWSTRUCEI-UHFFFAOYSA-N 234.324 2.987 0 50 BFAA CCC[C@H](C)C(=O)Nc1cc(C)ccn1 30569 JFEFOZMFWWXJFG-JTQLQIEISA-N 206.289 2.765 0 50 BFAA COc1ccc(NCc2cccnc2)cc1 182278 AXQATVJXAMWAHA-UHFFFAOYSA-N 214.268 2.702 0 50 BFAA Cc1cc(C)cc(C(=O)Nc2nnc(C)s2)c1 187490 RJIVVFIUBCNOOI-UHFFFAOYSA-N 247.323 2.716 0 50 BFAA O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CCCO1 474540 HNPLEYZIPLVJED-JTQLQIEISA-N 243.665 2.597 0 50 BFAA CCOc1ccc2c3c(c(=O)oc2c1)CCC3 1801078 APEGUETWMHRADV-UHFFFAOYSA-N 230.263 2.680 0 50 BFAA biogenic NCCc1ccc(Oc2ccccc2)cc1 2571871 JNHPLGDXCJAUBX-UHFFFAOYSA-N 213.280 2.980 0 50 BFAA in-vitro Cc1cc(C)c2cc(C(=O)O)[nH]c2c1C 3748695 CDZKEBOPHBEZGX-UHFFFAOYSA-N 203.241 2.791 0 50 BFAA in-vitro COC(=O)c1oc2c(c1C)C(=O)CC(C)(C)C2 3866234 RPJSTUFWWRMVSY-UHFFFAOYSA-N 236.267 2.530 0 50 BFAA C[C@H](CC(=O)O)c1c[nH]c2ccccc12 4294565 IKTJMKYSKNYTJM-MRVPVSSYSA-N 203.241 2.746 0 50 BFAA in-vitro O=C(Nc1ccc(F)cc1Cl)C(F)(F)F 4857392 BWRDLNUQULVMAA-UHFFFAOYSA-N 241.571 2.980 0 50 BFAA ClC12C[C@H]3C[C@@H](C1)CC(n1cncn1)(C3)C2 5009910 NETYYIOBMQNRJM-ZYANWLCNSA-N 237.734 2.565 0 50 BFAA CC(C)NCc1ccc(Br)cc1 8728580 DFQJMTRRBIJCLB-UHFFFAOYSA-N 228.133 2.947 0 50 BFAA in-vitro CC1(C)C[C@]1(C(=O)O)c1ccc(F)cc1 19088843 RIOYANNPRFBSNF-GFCCVEGCSA-N 208.232 2.578 0 50 BFAA Cc1noc(C)c1Cc1nc(C2CCCC2)no1 20914623 PVYFNJXHMMTGJX-UHFFFAOYSA-N 247.298 2.923 0 50 BFAA COC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 22204251 QRSGTDBJDBYJHW-VHSXEESVSA-N 210.660 2.617 0 50 BFAA O=c1oc2ccccc2cc1-c1cccnc1 31483830 BPYWYJSDRHTBHG-UHFFFAOYSA-N 223.231 2.855 0 50 BFAA C[C@H](CCCC(C)(C)O)NC1CCSCC1 32587299 HLAGCVJMEFJZJC-LLVKDONJSA-N 245.432 2.801 0 50 BFAA Nc1ccccc1-c1cn2ccccc2n1 45027551 ARUHCDRGLVIGLO-UHFFFAOYSA-N 209.252 2.584 0 50 BFAA COC(OC)c1cc(Cl)cnc1Cl 66054374 JWEKIYARKOGXPR-UHFFFAOYSA-N 222.071 2.680 0 50 BFAA in-vitro O=C(O)c1cccc(-c2n[nH]c3ccccc23)c1 67919985 FEOVMUZHGLJSAV-UHFFFAOYSA-N 238.246 2.928 0 50 BFAA CC1(C)CC=C[C@@H]2[C@@H]3CC[C@H](O)C[C@H]3C(=O)C[C@@H]21 71786952 MTJMYAZFXJFQQG-QNSTZXKLSA-N 248.366 2.955 0 50 BFAA COc1ccc2[nH]ccc2c1Br 77024964 FPSVUEYKYLKRJL-UHFFFAOYSA-N 226.073 2.939 0 50 BFAA in-vitro Nc1cc(F)c(F)cc1N1CCCCC1 225485430 HKXJPKIRVFZVLZ-UHFFFAOYSA-N 212.243 2.537 0 50 BFAA in-vitro Nc1c[nH]c(=O)c2cc(-c3ccccc3)sc12 231583554 FBVOPOZVLBHOHR-UHFFFAOYSA-N 242.303 2.839 0 50 BFAA O=C(C1CCCC1)N1CC(C2CCCC2)C1 336504531 DYPWOAFKTRVWKG-UHFFFAOYSA-N 221.344 2.825 0 50 BFAA CC[C@H](C)C(=O)CC(=O)c1ccoc1C 393746137 ORGIWLZYUYPDOG-QMMMGPOBSA-N 208.257 2.776 0 50 BFAA C/C(Cl)=C/C(=O)N(C)Cc1ccc(F)cc1 899958842 YSKINFZOXDWQFY-CLFYSBASSA-N 241.693 2.927 0 50 BFAA Oc1ccc(-c2nccn2CC2CCCC2)cn1 1875250112 YNKUEPKLMBKNJI-UHFFFAOYSA-N 243.310 2.841 0 50 BFAA Cc1n[nH]c(C)c1Sc1ccccc1N 86057 OXZGNCVDJZPDAX-UHFFFAOYSA-N 219.313 2.760 0 50 BFAA in-vitro COc1ccc(NC(=O)c2ccc(N)cc2)cc1 290993 JJKVMNNUINFIRK-UHFFFAOYSA-N 242.278 2.530 0 50 BFAA in-vitro CCOC(=O)[C@H]1[C@H]2c3cccc4c3C(=C[C@@H]21)CC4 393390 LWENPOAPZKOYQS-AEGPPILISA-N 240.302 2.923 0 50 BFAA C[C@H]1CCC[C@H](N(C)C2CCN(C)CC2)C1 757797 JOJOOBJTCMOJGP-JSGCOSHPSA-N 224.392 2.591 0 50 BFAA Cc1ccccc1C(=O)OCCN(C)C(C)(C)C 2180623 OAOVJIDOZPIVAX-UHFFFAOYSA-N 249.354 2.882 0 50 BFAA FC(F)c1cc(C(F)F)n2nccc2n1 2735424 ULYLMIJDFWJOBH-UHFFFAOYSA-N 219.141 2.605 0 50 BFAA Cc1ccc(SCCCn2cncn2)cc1 2844400 FTYYDISYIAHTKX-UHFFFAOYSA-N 233.340 2.769 0 50 BFAA CCCCOc1ccc2ccc(=O)oc2c1 2950199 BDOGTORASJEUBW-UHFFFAOYSA-N 218.252 2.972 0 50 BFAA biogenic,in-vivo NC(Cc1ccccc1)Cc1ccccc1 4683323 BWYYVSNVUCFQQN-UHFFFAOYSA-N 211.308 2.799 0 50 BFAA biogenic CC/C(=C\c1cccc(OC)c1)C(=O)O 5614136 ABNHVVQGSBZSMS-JXMROGBWSA-N 206.241 2.573 0 50 BFAA CC1CCN(C(=O)NC2CCCCC2)CC1 5915794 BOSHLBWKQSSSGD-UHFFFAOYSA-N 224.348 2.761 0 50 BFAA Cc1ccc(NC(=O)Cc2ccccc2F)nc1 16603217 DCGJJCXCCYEFKR-UHFFFAOYSA-N 244.269 2.710 0 50 BFAA CCN(CC)CCNCc1ccc(Cl)cc1 19365600 QMHPWYDPGOPWPA-UHFFFAOYSA-N 240.778 2.771 0 50 BFAA CCOC(=O)c1nc(-c2ccccc2)sc1N 34077868 NTACPCDBVTXTTE-UHFFFAOYSA-N 248.307 2.569 0 50 BFAA C[C@]12CCC(=O)N1CCc1c2[nH]c2ccccc12 34463236 YZCPZTYKWQSAJI-OAHLLOKOSA-N 240.306 2.562 0 50 BFAA O=Cc1cc(-c2ccc(F)nc2)ccc1F 40450034 BJMJZEFCAYFGRH-UHFFFAOYSA-N 219.190 2.839 0 50 BFAA CCOC(=O)c1cc(C)cc(Br)c1 59047351 FKMQOAPQTQCQCN-UHFFFAOYSA-N 243.100 2.934 0 50 BFAA in-vitro CCOC(=O)[C@@]12CC=C(C)[C@@H](CCCC1)C2=O 71773229 QQJVTJIBMADDKT-BXUZGUMPSA-N 236.311 2.645 0 50 BFAA CCCCOC(=O)c1cc2ccoc2cn1 140884121 VCFCKAMFEDBLEX-UHFFFAOYSA-N 219.240 2.785 0 50 BFAA O=C1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]12 225351245 HUVMTUHDOBCRJI-CABCVRRESA-N 243.350 2.878 0 50 BFAA in-vitro Cc1ccc2ncnc(N3C[C@H]4CC[C@H]3C4)c2c1 248336163 OCIBIAMAOKNJRP-RYUDHWBXSA-N 239.322 2.927 0 50 BFAA C=CC(=O)NC1(Cc2cccc(F)c2)CCC1 863971285 MYKSNHRHUSSSHJ-UHFFFAOYSA-N 233.286 2.593 0 50 BFAA C=CC(=O)N1CCOc2ccc(C(C)C)cc21 1776003333 JTEGLDAXSDSVQD-UHFFFAOYSA-N 231.295 2.721 0 50 BFAA C1=CC[C@H](c2nccn2C[C@@H]2CCCO2)CC1 1875242905 HRVXVTRTBHVWHZ-STQMWFEESA-N 232.327 2.886 0 50 BFAA O=c1oc2ccccc2n1Cc1ccccc1 121860 YLCGDHFJQQKIBG-UHFFFAOYSA-N 225.247 2.643 0 50 BFAA biogenic Cn1c(-c2cccs2)[n+](C)c2ccccc21 279149 SPNMGEIUJCUZRX-UHFFFAOYSA-N 229.328 2.731 0 50 BFAA O=C1O[C@H](c2ccccc2)Nc2ccccc21 410040 LRICLHSLMATMQM-CYBMUJFWSA-N 225.247 2.968 0 50 BFAA CCC[C@@H](C)NC(=O)c1ccc(N(C)C)cc1 441757 NDBWOJGRXJSTER-LLVKDONJSA-N 234.343 2.671 0 50 BFAA O=C(Nc1ccon1)c1ccccc1Cl 474332 FQVMJSWTIOCXHT-UHFFFAOYSA-N 222.631 2.580 0 50 BFAA CCC(C)(C)NC(=O)COc1ccc(C)c(C)c1 1002851 VHNMUOMKANTLEM-UHFFFAOYSA-N 249.354 2.987 0 50 BFAA C[C@H](OC(=O)c1ccccc1)C(F)(F)F 3200661 QJEBGIHVFQQNJB-ZETCQYMHSA-N 218.174 2.794 0 50 BFAA CC(=O)Nc1cc(-c2ccc(Cl)cc2)n[nH]1 6493448 IIKSZRFVYVTNHL-UHFFFAOYSA-N 235.674 2.689 0 50 BFAA COc1cccc([C@H](C)NC(=O)c2ccco2)c1 6699884 DUUWOVRUWLQKFP-JTQLQIEISA-N 245.278 2.779 0 50 BFAA CNC(=O)Cc1coc2cc(C)c(Cl)cc12 16527399 PKZLKNYJFPROSM-UHFFFAOYSA-N 237.686 2.683 0 50 BFAA Clc1cccc(SC[C@H]2CCCNC2)n1 34147219 SEIDMJBKQVXZEH-VIFPVBQESA-N 242.775 2.827 0 50 BFAA C1CCC(CCOC[C@@H]2CCNC2)CC1 38580689 IFUPGADAIXSPOB-CYBMUJFWSA-N 211.349 2.583 0 50 BFAA COc1ccc(Br)c(O)c1Cl 65337296 VVRDRUJEABUFPP-UHFFFAOYSA-N 237.480 2.817 0 50 BFAA in-vitro CCCCc1nncn1-c1cc(C)ccc1OC 67740495 HSISTWPNNOBHKM-UHFFFAOYSA-N 245.326 2.927 0 50 BFAA O=C(O)C1[C@H]2CCC[C@H]1C2c1ccccc1 106919645 ZYRKDXOCMASONI-ZSVAQUKISA-N 216.280 2.901 0 50 BFAA CS[C@@H]1CCC[C@H]1N(C)Cc1cscn1 110642555 UFHSOHOHLBRHHK-GHMZBOCLSA-N 242.413 2.859 0 50 BFAA CS[C@H]1CC[C@H](Nc2nc(C)cnc2C)C1 195563873 PVYSCYILDKTKRE-QWRGUYRKSA-N 237.372 2.789 0 50 BFAA Cc1c(Br)ccc2c1C(=O)CCO2 238504819 UASHKMPDERMSOM-UHFFFAOYSA-N 241.084 2.723 0 50 BFAA O[C@@H]1c2ccccc2[C@@H]2[C@H](O)c3ccccc3[C@@H]12 247778735 ZHODMXFAYOBKEZ-QKPAOTATSA-N 238.286 2.648 0 50 BFAA COc1ccc2c(c1)[C@@H]1[C@@H]3[C@@H]4C=C[C@@H]4[C@@H]2[C@H]13 247952951 MSMIFVCPETXJCQ-HSIZDUNOSA-N 210.276 2.938 0 50 BFAA Cc1cnc(-n2cnnc2)c(C2=CCCCC2)c1 426498503 JLHWSLAAVNBQDX-UHFFFAOYSA-N 240.310 2.928 0 50 BFAA C/C=C/CC(=O)N[C@H](C)c1c(C)nn(CC)c1C 584895045 LGINCMVKPVZXBL-QEHWCHDUSA-N 249.358 2.663 0 50 BFAA CC1=NO[C@H](CNCc2ccc(Cl)s2)C1 585116536 ADKMOHVIAFSZNI-QMMMGPOBSA-N 244.747 2.656 0 50 BFAA C=CC(=O)N1CC2(CCCC2)[C@H]1c1ccco1 863971161 HLPIGZLNUDDGRU-CYBMUJFWSA-N 231.295 2.909 0 50 BFAA CC(C(=O)Nc1ccsn1)=C1CCCC1 1616038910 SCVNGPFAENVUKM-UHFFFAOYSA-N 222.313 2.972 0 50 BFAA O=C(O)CSCc1ccc(Cl)cc1 259372 SAYBRQDMVZLOPM-UHFFFAOYSA-N 216.689 2.658 0 50 BFAA in-vitro COc1ccc(OC(=O)/C=C/c2ccco2)cc1 499099 NMIXTHNWGHUJQZ-CMDGGOBGSA-N 244.246 2.907 0 50 BFAA O=C(NCC1CCCCC1)c1ccco1 1053327 ZRZIOXGPJXUTCA-UHFFFAOYSA-N 207.273 2.590 0 50 BFAA CCN1CCC(Nc2cccc(F)c2)CC1 4612728 GDHPDLRAKHREAS-UHFFFAOYSA-N 222.307 2.722 0 50 BFAA FC(F)(F)c1ccc(O[C@H]2CCCNC2)cc1 12359755 ZTOREIFGFMIKJW-NSHDSACASA-N 245.244 2.836 0 50 BFAA CC[C@H](NC(=O)[C@H]1CCCO1)c1ccc(C)cc1 13328186 BTNVBFONMFJOEG-UONOGXRCSA-N 247.338 2.741 0 50 BFAA NC(=O)c1ccc(-c2nc3ccccc3o2)cc1 20154406 NVXRXPXCVXOQEB-UHFFFAOYSA-N 238.246 2.594 0 50 BFAA Cc1c[nH]c(CN(C)CCc2ccccc2C)n1 20453366 SHECMVAQZVLBRO-UHFFFAOYSA-N 243.354 2.701 0 50 BFAA O=C1CCCc2nccc(-c3ccncc3)c21 20534616 WKISDKFDXVRYFR-UHFFFAOYSA-N 224.263 2.663 0 50 BFAA CCC[C@@H](O)c1ccc(-c2cncnc2)cc1 32550978 OZHMMMHYGBLSGR-CQSZACIVSA-N 228.295 2.977 0 50 BFAA OCCc1ccc(Cl)cc1Br 126800534 LLAISAAYRNWOKJ-UHFFFAOYSA-N 235.508 2.637 0 50 BFAA CC(=O)C[C@@H](C)CCNC(=O)OC(C)(C)C 238833346 AQLQVPFCUIFAFL-VIFPVBQESA-N 229.320 2.516 0 50 BFAA O=C(Nc1ccc(F)nc1)[C@@]12CCCC[C@@H]1C2 693229619 KIADMWVFIXPGAY-NOZJJQNGSA-N 234.274 2.740 0 50 BFAA O=C(O)c1c(F)cc(OC(F)(F)F)cc1F 1083809863 WWVTTWPGSPGACX-UHFFFAOYSA-N 242.099 2.562 0 50 BFAA CCN(C)c1ccnc(NCc2ccsc2)n1 1529113758 IJNHCHKLAFWGLN-UHFFFAOYSA-N 248.355 2.606 0 50 BFAA NC(=O)C(F)(F)c1cc(Cl)sc1Cl 1857783193 XQLPSCSZRIZQHG-UHFFFAOYSA-N 246.065 2.632 0 50 BFAA N=C(N)Cc1cc(Cl)sc1Cl 1857783526 WOQALGZLHYWKKQ-UHFFFAOYSA-N 209.101 2.533 0 50 BFAA O=C(NC1CC1)c1ccc(Cl)cc1Cl 37709 LEOBSYFLYDGHRO-UHFFFAOYSA-N 230.094 2.886 0 50 BFAA Cc1ccccc1C(=O)NCc1ccccc1 38648 SQDLPGKVRZFDKW-UHFFFAOYSA-N 225.291 2.925 0 50 BFAA O=C(Cc1ccc(F)cc1)NC1CCCCC1 64677 ZECGRYZLCKIYIF-UHFFFAOYSA-N 235.302 2.817 0 50 BFAA CCCC(=O)n1nc(C)c2c1CC(C)(C)CC2=O 197524 JAEYHNZBXSSHOY-UHFFFAOYSA-N 248.326 2.787 0 50 BFAA CC(=O)Nc1ccccc1N1CCCCC1 570227 GYFZQNLZAYZEGC-UHFFFAOYSA-N 218.300 2.635 0 50 BFAA CC1=CC(C)(C)N2C(=O)C(=O)c3c(C)ccc1c32 1840790 UTFJBEHZXBEQGY-UHFFFAOYSA-N 241.290 2.720 0 50 BFAA biogenic CCCCSCNC(=O)c1ccccc1 5309509 CJYXHXZAJOCZFS-UHFFFAOYSA-N 223.341 2.907 0 50 BFAA Cc1ccc(C(=O)Nc2nccs2)cc1 15224318 XLNBGXSUYFKJFF-UHFFFAOYSA-N 218.281 2.704 0 50 BFAA Cc1cc(N)c2cccc(Br)c2n1 16123654 VXQZWWFUQGSMAV-UHFFFAOYSA-N 237.100 2.888 0 50 BFAA N/C=C1\C(=O)N(c2ccccc2)c2ccccc21 18024336 ILRKIKISVKWUOW-RAXLEYEMSA-N 236.274 2.665 0 50 BFAA Clc1n[nH]c2c(Br)cccc12 40448716 SXOKLXYCYCXCCH-UHFFFAOYSA-N 231.480 2.979 0 50 BFAA in-vitro c1ccc2ncc(-c3cncnc3)cc2c1 67789777 HXBBLZCUSKLXPR-UHFFFAOYSA-N 207.236 2.692 0 50 BFAA [O-][n+]1cccc(Oc2cccc(Cl)c2)c1 71773328 GRCLRWIIFWIFME-UHFFFAOYSA-N 221.643 2.766 0 50 BFAA CSc1ccccc1Nc1cc(C)nc(N)n1 72436884 SRSIUZIJKGYFOA-UHFFFAOYSA-N 246.339 2.833 0 50 BFAA COC(=O)c1sc(Br)cc1C 88190263 SHCAFAUPTCPXRD-UHFFFAOYSA-N 235.102 2.606 0 50 BFAA O=Cc1cccc2c1cnn2[C@@H]1CCCCO1 88267301 WHYXQPGHZDUOAZ-ZDUSSCGKSA-N 230.267 2.548 0 50 BFAA COC(=O)c1cnc(Cl)c(C(F)(F)F)c1 91692238 XSNQVMGVGAAMPU-UHFFFAOYSA-N 239.580 2.540 0 50 BFAA in-vitro c1ccc([C@]23O[C@H]4[C@@H]5[C@H]6C[C@H]([C@@H]52)[C@H]2[C@H]3[C@H]4[C@H]62)cc1 239296987 DNZSZQJIFXZSPG-XPTKELIUSA-N 236.314 2.668 0 50 BFAA COc1ccnc(NC(=O)Oc2ccccc2)c1 263624399 QDGHMBIGVMKDJN-UHFFFAOYSA-N 244.250 2.701 0 50 BFAA CCc1csc(NCc2cc(C)nc(O)c2)n1 894238088 GLPKVHDSNKYWOH-UHFFFAOYSA-N 249.339 2.727 0 50 BFAA Cc1nc(-c2cccc3nc(O)[nH]c23)ccc1F 1875248726 JTCCDXRMEQNWTL-UHFFFAOYSA-N 243.241 2.778 0 50 BFAA O[C@H](CNC1CCCCC1)c1ccccc1 157266 ISYFTHDLBGNHQW-CQSZACIVSA-N 219.328 2.642 0 50 BFAA in-vitro CCOC(=O)[C@@H]1Cc2c(ccc3ccccc23)O1 168047 CBMTXLJYTRWJSM-AWEZNQCLSA-N 242.274 2.706 0 50 BFAA in-vitro Cc1nn(-c2ccccc2)c(Cl)c1C(=O)O 368661 UTAROPFLQDDMNS-UHFFFAOYSA-N 236.658 2.532 0 50 BFAA in-vitro O=C(/C=C/c1ccccc1)OCc1cncs1 1403725 WOQRFVWAGYMIME-VOTSOKGWSA-N 245.303 2.900 0 50 BFAA CCC(CC)[C@H](O)C[C@@H](O)CC(C)C 1655720 MPURTQWGOYOLEZ-NWDGAFQWSA-N 202.338 2.581 0 50 BFAA CCOC(=O)[C@@H](CC)n1nc(C)c(Cl)c1C 2536985 RDBKXUMHEHBBHD-SECBINFHSA-N 244.722 2.668 0 50 BFAA Fc1ncc(Cl)cc1Br 2539939 FKHJIEHQWOYVQM-UHFFFAOYSA-N 210.433 2.637 0 50 BFAA in-vitro Cc1ccc(-c2nc(CC(=O)O)cs2)cc1 4206451 HOHYEMLUXLUALK-UHFFFAOYSA-N 233.292 2.746 0 50 BFAA Cc1ccc(Cl)cc1NC[C@@H]1CCCN1 6658205 OIHUZQAJBLMZTF-NSHDSACASA-N 224.735 2.812 0 50 BFAA CCCCC(=O)Nc1ccc(C(=O)O)cc1 7260906 SBQFPXHBAJDVLV-UHFFFAOYSA-N 221.256 2.514 0 50 BFAA in-vitro CCC1CCC(NC(=O)c2cc(C)on2)CC1 13330307 HBTRWXUALNGKBA-UHFFFAOYSA-N 236.315 2.682 0 50 BFAA CCNC/C=C/COc1ccc(C)cc1C 16622775 DUDJXKTWRPATRN-AATRIKPKSA-N 219.328 2.848 0 50 BFAA c1ccc([C@@H]2CNCc3ccccc32)cc1 20281047 OSZMNJRKIPAVOS-HNNXBMFYSA-N 209.292 2.922 0 50 BFAA biogenic,in-vitro CC(=O)c1cccc(-c2c[nH]c(C)n2)c1 32561904 UUOMWPLOJNMQJL-UHFFFAOYSA-N 200.241 2.588 0 50 BFAA CC(C)(C)OC(=O)Nc1cccc2nccn12 39076784 QIHZGABAFVTOKE-UHFFFAOYSA-N 233.271 2.681 0 50 BFAA CCOC(=O)c1cc(F)cc(Cl)c1 43503477 DQCODEVVXJRLNF-UHFFFAOYSA-N 202.612 2.656 0 50 BFAA CCC(CC)NC[C@H](C)Oc1cccnc1 53590101 SMGCSWWCPNUQQW-NSHDSACASA-N 222.332 2.627 0 50 BFAA CCCOCCCn1ccnc1-c1ccco1 72478448 LXKLDNGAGBXTIU-UHFFFAOYSA-N 234.299 2.960 0 50 BFAA O=C(O)c1ccc([C@H]2CCCCO2)cc1 114471574 ODKQMSQJUNZMFM-LLVKDONJSA-N 206.241 2.626 0 50 BFAA C[C@@H]1C[C@H]1C(=O)NC[C@H]1CCCc2ccccc21 248497437 KVIKCPVEKZRVPX-UXIGCNINSA-N 243.350 2.879 0 50 BFAA C1=CC[C@]23C=C[C@]2(C1)[C@H]1C=C[C@H]3[C@@H]2COC[C@H]21 253596413 QXBDRQSGBBHKCP-OWDFPOFWSA-N 226.319 2.957 0 50 BFAA CC1(C)OCC[C@@H]1Nc1ncnc2ccccc12 296421207 XMFWEMODGVVGBR-LBPRGKRZSA-N 243.310 2.609 0 50 BFAA O=C(O)/C=C/c1ccsc1C(F)(F)F 306776831 ZZQRDYCUDWPWSX-OWOJBTEDSA-N 222.187 2.865 0 50 BFAA C[C@H]1C[C@@H](C)CN(c2ncnc3[nH]ccc23)[C@@H]1C 352583906 PGWNJDAAGAZDPE-OUAUKWLOSA-N 244.342 2.829 0 50 BFAA CC[C@@H](Cn1cncn1)Nc1ccc(C)c(C)c1 888095528 LZLGUWLXKWWMPC-ZDUSSCGKSA-N 244.342 2.786 0 50 BFAA Cc1cc(F)cc(NC[C@@H]2CCCCO2)n1 952992357 KPVJYOJLNRXDCY-NSHDSACASA-N 224.279 2.510 0 50 BFAA O=C(O)c1cncc2ccc(C(F)(F)F)cc12 953111081 ACUZAYZWRGGALM-UHFFFAOYSA-N 241.168 2.952 0 50 BFAA C=CC(=O)NC(C)(C)c1ccc(F)cc1F 1262556304 HZUATBCSFGJQLL-UHFFFAOYSA-N 225.238 2.502 0 50 BFAA CC[C@@H]1Cc2nnc(CCc3ccccc3)n2C1 1800413235 DOVVXMORJGUUOJ-GFCCVEGCSA-N 241.338 2.646 0 50 BFAA O=C([C@@H](F)C1CC1)N1CCCOc2ccccc21 2325806529 KKSIXSRCGXIWPR-ZDUSSCGKSA-N 249.285 2.550 0 50 BFAA O=C([C@H]1C[C@H]1c1ccccc1)N1CCCCC1 185988 BYCDPTRUPKGZOX-KBPBESRZSA-N 229.323 2.803 0 50 BFAA Cc1ccc(NC(=O)c2cccnc2)cc1 240592 ASDNYPJFMDMYPQ-UHFFFAOYSA-N 212.252 2.642 0 50 BFAA CN(C=O)C(=O)Nc1ccc(Cl)c(Cl)c1 400463 ZMQCIZFNPLHWDZ-UHFFFAOYSA-N 247.081 2.614 0 50 BFAA CCC(CC)C(=O)Nc1ccc2c(c1)OCO2 453058 WKLKHFDOQVYRJB-UHFFFAOYSA-N 235.283 2.790 0 50 BFAA O=C(O)c1ccc(-c2cccc(F)c2)o1 2525745 ZFRKHCKKEAQDIB-UHFFFAOYSA-N 206.172 2.784 0 50 BFAA in-vitro O=Cc1ccc(-c2ccc(CC(=O)O)cc2)cc1 2581024 VRIMIPHUAHCGAI-UHFFFAOYSA-N 240.258 2.793 0 50 BFAA Cc1cccc(NC(=O)CN2CCCC[C@@H]2C)c1 3538774 PNRBPDBVGSBSBF-ZDUSSCGKSA-N 246.354 2.808 0 50 BFAA Cc1nc(-c2ccccc2)c(C(=O)O)s1 4218573 APXSARIYDLVPAY-UHFFFAOYSA-N 219.265 2.817 0 50 BFAA in-vitro O=C(/C=C/c1ccco1)NCc1ccc(F)cc1 4715982 XLLFVULPPOKHKG-BQYQJAHWSA-N 245.253 2.748 0 50 BFAA Cc1ccccc1OCCN1CCCCC1 4989907 WUBSUNKAWIUZBE-UHFFFAOYSA-N 219.328 2.860 0 50 BFAA Cc1cc(C(=O)NCc2ccccc2)c(C)o1 5392383 LINNVFYVDMHVSQ-UHFFFAOYSA-N 229.279 2.826 0 50 BFAA Nc1ccccc1CN1CCCCCC1 9879358 WISUGAJNGKAUPQ-UHFFFAOYSA-N 204.317 2.645 0 50 BFAA CC1CCN(CCOc2ccc(C=O)cc2)CC1 9879535 BBLKVUHHQAEJAU-UHFFFAOYSA-N 247.338 2.610 0 50 BFAA Oc1c(Br)ccc2cccnc12 13208442 ICKPMTNGWVNOGC-UHFFFAOYSA-N 224.057 2.703 0 50 BFAA biogenic,in-vitro Clc1cc(Br)c2nccn2c1 15021379 LMPPBTNPACXNDI-UHFFFAOYSA-N 231.480 2.750 0 50 BFAA in-vitro Nc1ccc(C(F)(F)F)c2ncccc12 34061887 MFLUPLVEVVDFOD-UHFFFAOYSA-N 212.174 2.836 0 50 BFAA in-vitro Cc1[nH]nc(O)c1Cc1ccccc1Cl 49474061 NQBOAVPXKDMZMA-UHFFFAOYSA-N 222.675 2.668 0 50 BFAA CC[C@@H](Nc1ccncn1)c1ncccc1C 91849170 CBUPJKGKKFVSHO-LLVKDONJSA-N 228.299 2.743 0 50 BFAA Cc1csc(CCNc2ncnc(C)c2C)n1 95371614 TYADOGAFZLJTPZ-UHFFFAOYSA-N 248.355 2.513 0 50 BFAA O=Cc1ccc(N2CCCC(F)(F)C2)c(F)c1 169725238 QOAXXDHFZQOWAL-UHFFFAOYSA-N 243.228 2.874 0 50 BFAA O=C1NCc2cc(OCc3ccccc3)ccc21 197447321 JTFGOYIXFDBGNY-UHFFFAOYSA-N 239.274 2.509 0 50 BFAA Cc1cnc([C@@H](C)NC(=O)C2C(C)(C)C2(C)C)[nH]1 534586383 CCSYWJBLKPUEST-SECBINFHSA-N 249.358 2.578 0 50 BFAA C[C@H](CO)SCc1nc(C(C)(C)C)co1 724407809 KMUFMMJGRJDCEF-MRVPVSSYSA-N 229.345 2.586 0 50 BFAA CCC[C@H](C(=O)NC(C)(C)C)n1cccc1 952962929 MHLLBFLDBLFEON-LLVKDONJSA-N 222.332 2.744 0 50 BFAA O=C1NCc2c1cccc2-c1ccc(F)cc1F 1239677827 PIDUOJUSLCUEDN-UHFFFAOYSA-N 245.228 2.875 0 50 BFAA CC(C)n1ccnc1-c1cnc(N(C)C)s1 1875248124 YGSRLBRTESSWEF-UHFFFAOYSA-N 236.344 2.654 0 50 BFAA CC(C)[C@@H]1CCC[C@](C(=O)O)(n2ccnc2)C1 1875271529 KPFXAOFNIQCVKL-YPMHNXCESA-N 236.315 2.509 0 50 BFAA CC(=O)Nc1ccc(Cl)c(Cl)c1 72348 SCYGGCAQZFJGRF-UHFFFAOYSA-N 204.056 2.952 0 50 BFAA biogenic,in-vitro CC(C)(C)OC(=O)Nc1ccc(O)cc1 392725 YRQMBQUMJFVZLF-UHFFFAOYSA-N 209.245 2.739 0 50 BFAA in-vitro COC(=O)CSc1ccc(Cl)cc1 396306 LBSLGCXURMKUAO-UHFFFAOYSA-N 216.689 2.605 0 50 BFAA Cc1ccnc(NC(=O)c2ccccc2F)c1 408632 NHMLXMSPKDUJPG-UHFFFAOYSA-N 230.242 2.781 0 50 BFAA Cc1cc(NC(=O)/C=C/c2ccccc2)no1 433987 HKHMRZZOMKKLQF-BQYQJAHWSA-N 228.251 2.635 0 50 BFAA CC(=O)Nc1nc2ccc(Cl)cc2s1 568692 BCQXILHHRAEBLY-UHFFFAOYSA-N 226.688 2.908 0 50 BFAA in-vitro COc1ccc(NC(=O)C2CCCC2)cc1OC 1017150 QJSUBUQOCGGZNK-UHFFFAOYSA-N 249.310 2.833 0 50 BFAA CCCCS(=O)(=O)c1ccc(C)cc1 2173262 GQNSNCZNXFDRRL-UHFFFAOYSA-N 212.314 2.569 0 50 BFAA O=Cc1cnn(-c2cccc(C(F)(F)F)c2)c1 19801835 FJRLRPMATZQLHW-UHFFFAOYSA-N 240.184 2.704 0 50 BFAA COC(OC)c1ccccc1Br 28278223 RXYLXDKWPRPXMI-UHFFFAOYSA-N 231.089 2.741 0 50 BFAA CCNC(=O)c1cccc(-c2ccc(O)cc2)c1 65340095 MJJYDEWJZUQIGL-UHFFFAOYSA-N 241.290 2.809 0 50 BFAA in-vitro c1ccc(C[C@@H]2COc3ccccc3C2)nc1 91616962 MDXRNFYZFQXODI-GFCCVEGCSA-N 225.291 2.875 0 50 BFAA NCc1ccc(OC(F)(F)C(F)(F)F)cc1 118017579 SNXNKCLCEFBRDF-UHFFFAOYSA-N 241.159 2.679 0 50 BFAA Cc1cccc(NC(=O)N[C@H]2C=CCCC2)n1 122725297 HYFQKRDUYSRXFF-NSHDSACASA-N 231.299 2.620 0 50 BFAA Cc1ccc(C)c(NC(=O)Nc2ncco2)c1 170604550 MUAWDXYQHQTVAO-UHFFFAOYSA-N 231.255 2.935 0 50 BFAA C[C@H](NCCN)c1cccc(Cl)c1Cl 235504678 GXADVKKFZVKWOC-ZETCQYMHSA-N 233.142 2.603 0 50 BFAA CCC[C@@H](C)N(C)c1ncnc2[nH]ccc12 264919684 LXCXTQQYZPYZCG-SECBINFHSA-N 218.304 2.583 0 50 BFAA Cc1ccc(Br)c2nccnc12 307443186 BHHKKOSICBRFOP-UHFFFAOYSA-N 223.073 2.701 0 50 BFAA C1=C[C@H](n2ccnc2-c2cnc[nH]2)CCC1 1875246123 IQJPRFKQVAXKGN-JTQLQIEISA-N 214.272 2.554 0 50 BFAA C[C@@H]1C[C@H]1CCCSCC1=NOCC1 2325810100 OMQWQGQVGOLEFS-NXEZZACHSA-N 213.346 2.932 0 50 BFAA CC(C)(C)[C@H]1C[C@@H](O)CN(C(C)(C)C)C1 51800 SXCPSDUKJOOIEW-WDEREUQCSA-N 213.365 2.514 0 50 BFAA COc1c(Cl)cc(C(=O)O)cc1Cl 123150 XSYZTYQXKIXPRC-UHFFFAOYSA-N 221.039 2.700 0 50 BFAA biogenic,in-vitro CC1=C[C@@H](c2ccccc2)NC(S)=N1 324742 KHCZLACEZABOFR-JTQLQIEISA-N 204.298 2.521 0 50 BFAA Oc1ccc([C@@H](O)C(Cl)(Cl)Cl)cc1 477336 BEGKQLRDEXUNOY-SSDOTTSWSA-N 241.501 2.796 0 50 BFAA COC(=O)CCCCCCCCCC(=O)O 1670913 JAELIPKEGUQPKD-UHFFFAOYSA-N 230.304 2.755 0 50 BFAA COc1ccc(-c2csc(N)n2)cc1F 2582667 YNGDDNXKDDLUAK-UHFFFAOYSA-N 224.260 2.540 0 50 BFAA in-vitro C[C@@H]1CN=C(Nc2cccc(Cl)c2)O1 4867512 KEOCDTVZPUSMRH-SSDOTTSWSA-N 210.664 2.527 0 50 BFAA CCn1ccc(C(=O)Nc2ccc(F)cc2C)n1 6699455 WDWUEILVKWCHLN-UHFFFAOYSA-N 247.273 2.603 0 50 BFAA Cc1nc(-c2cccc(F)c2)sc1C(=O)O 31829482 HBTVWEQIDYVHMD-UHFFFAOYSA-N 237.255 2.956 0 50 BFAA c1ccc(-c2ccc(N3CCCC3)nn2)cc1 32593558 RBDMPGSEXGXSNS-UHFFFAOYSA-N 225.295 2.744 0 50 BFAA CCOC(=O)c1c(C)n(O)c2cc(F)ccc12 44138138 RXBPRBZNIBWUPY-UHFFFAOYSA-N 237.230 2.503 0 50 BFAA in-vitro CCCCC[C@H](C(=O)OCC)N1CCCCC1 96026405 RANWHPOVGAMVND-CYBMUJFWSA-N 241.375 2.984 0 50 BFAA CC(C)n1cncc1CN(C)[C@H](C)c1ccon1 97797456 NGDKQZPSBMVTNA-LLVKDONJSA-N 248.330 2.645 0 50 BFAA Cc1ccc(Nc2cc(F)ncn2)cc1 149943478 AZGXVMWZIFBZRM-UHFFFAOYSA-N 203.220 2.668 0 50 BFAA CNc1cccc([C@@H](O)c2ccccc2)c1 238320087 UKTTXKXVEDASHE-AWEZNQCLSA-N 213.280 2.810 0 50 BFAA CC1=C(c2ccco2)CN(C(=O)[C@@H]2C[C@H]2C)CC1 253392180 QBOJTNKCMHCVNI-VXGBXAGGSA-N 245.322 2.941 0 50 BFAA Cc1c(OC(F)F)ccnc1Br 263623904 LRJCGRMQIAPOCJ-UHFFFAOYSA-N 238.031 2.754 0 50 BFAA Nc1c(-c2cccc(F)c2)n[nH]c1C1CC1 299805629 YJVQVQYMBOEUMI-UHFFFAOYSA-N 217.247 2.675 0 50 BFAA C[C@H](CC(F)F)C(=O)N1CCC(C)(C)C1 334807248 OZMSFVIJEJCXCT-MRVPVSSYSA-N 219.275 2.536 0 50 BFAA O=C1CCCC[C@@H]1Sc1nc2c([nH]1)CCC2 336419425 GLLUFEKMHYFTKE-NSHDSACASA-N 236.340 2.502 0 50 BFAA COc1ncccc1-c1ccc(C(C)C)nn1 426574869 JGOQHBXMZWAXNV-UHFFFAOYSA-N 229.283 2.671 0 50 BFAA COc1ccc(-c2nc(C)ncc2C(C)C)cn1 426734014 MQVMUQWUAWKQNZ-UHFFFAOYSA-N 243.310 2.979 0 50 BFAA COc1cccc2ccc(-c3ccnnc3)nc12 1242044115 KOBKQPCWBJTCQH-UHFFFAOYSA-N 237.262 2.700 0 50 BFAA C=CC(=O)NC[C@@]1(c2ccccc2)CC1(C)C 1336682832 XPEYHSQRVVAUMJ-OAHLLOKOSA-N 229.323 2.657 0 50 BFAA C=CC(=O)NCc1cc(C(C)(C)C)ccc1OC 1875367374 TUGCXBCAHANVTB-UHFFFAOYSA-N 247.338 2.795 0 50 BFAA CCOC(=O)c1cc2cc(C)ccc2[nH]1 129029 KMVFKXFOPNKHEM-UHFFFAOYSA-N 203.241 2.653 0 50 BFAA in-vitro CN(C)C(=O)C(c1ccccc1)c1ccccc1 155224 QAHFOPIILNICLA-UHFFFAOYSA-N 239.318 2.907 0 50 BFAA biogenic,in-vitro Cc1ccc2c(c1)C(=O)c1c(C(=O)O)cccc1-2 193186 NZFCEQWXUDQEIS-UHFFFAOYSA-N 238.242 2.905 0 50 BFAA biogenic CC(C)CCNC(=O)c1cccc(F)c1 363476 AHTZYGTWBKAYDF-UHFFFAOYSA-N 209.264 2.602 0 50 BFAA O=C(O)CCCc1ccc(Br)cc1 1673211 AGIIMNQWNPUJPT-UHFFFAOYSA-N 243.100 2.856 0 50 BFAA in-vitro Brc1ccccc1[C@@H]1CCCN1 2582581 BSLGMIVYENBFFY-JTQLQIEISA-N 226.117 2.874 0 50 BFAA in-vitro CCCCC[C@@H]1C(=O)CC[C@@H]1CC(=O)O 3978812 PQEYTAGBXNEUQL-ZJUUUORDSA-N 212.289 2.637 0 50 BFAA endogenous,in-man Cc1nc(-c2ccc(F)cc2)sc1C(=O)O 4207035 LPBSLIRPWIFCQT-UHFFFAOYSA-N 237.255 2.956 0 50 BFAA in-vitro CC[C@@H](CO)NCc1ccc(-c2ccccc2)o1 4942835 PBASCIKCDTYXKD-ZDUSSCGKSA-N 245.322 2.807 0 50 BFAA N[C@H]1CCCc2ccc(Br)cc21 8699642 PHUSWQSCHYYQQF-JTQLQIEISA-N 226.117 2.785 0 50 BFAA CC(C)(C)c1ccc(C(=O)N[C@@H]2CCOC2)cc1 20999878 VMQPYWRGAOXHTA-CYBMUJFWSA-N 247.338 2.503 0 50 BFAA COc1ncccc1-c1ccc2nc[nH]c2c1 65404908 ITUFCVHDKCQEKW-UHFFFAOYSA-N 225.251 2.634 0 50 BFAA COCOc1ccc(C(C)=O)cc1Cl 128343391 WNZVOINOWRGIKY-UHFFFAOYSA-N 214.648 2.525 0 50 BFAA O=C(C1=NO[C@H]2[C@H]3CC[C@@H](C3)[C@@H]12)c1ccccc1 169615682 CEAYTPVKXPIMKF-ASHKBJFXSA-N 241.290 2.670 0 50 BFAA Cc1ccc(CCN2CC[C@H](F)C2)cc1 451193373 JOCKHCVLSOOLJZ-ZDUSSCGKSA-N 207.292 2.581 0 50 BFAA CN(Cc1ccnc(O)c1)C1(C)CCCC1 639615755 SGFVOBXCINKHQF-UHFFFAOYSA-N 220.316 2.552 0 50 BFAA Cc1ccc2n[nH]cc2c1[C@H]1CNCC[C@@H]1C 757215597 WGIRJMBUKYLWPS-ONGXEEELSA-N 229.327 2.584 0 50 BFAA Cc1ccncc1NC(=O)C[C@]12CCC[C@H]1C2 1875312378 ZVPGUVBZPWGJPX-SMDDNHRTSA-N 230.311 2.909 0 50 BFAA Cc1nc(-c2ccc(CCN)cc2)nc(C)c1C 2356167191 UTKLDHZEDHTEAE-UHFFFAOYSA-N 241.338 2.570 0 50 BFAA O=C(O)C1(c2cccc(Cl)c2)CCC1 33714 RCVMSQRTMODMHH-UHFFFAOYSA-N 210.660 2.846 0 50 BFAA in-vitro CC[C@@H](C)NC(=S)Nc1cccc(F)c1 473200 KYUAXPGDBKAXOD-MRVPVSSYSA-N 226.320 2.911 0 50 BFAA COC(=O)c1cc(C(=O)C2CCCCC2)c[nH]1 1396128 PFCVMRKPTWIDNP-UHFFFAOYSA-N 235.283 2.564 0 50 BFAA CCOC(=O)C(C)(C)Oc1ccc(F)cc1F 1459482 HCIFXNOUHSLLJI-UHFFFAOYSA-N 244.237 2.685 0 50 BFAA CC1(C)C[C@]23C(=O)CC[C@H](O)[C@@]2(C)CC[C@H]13 1504870 UHRWOVVMQAASAO-QOBDMFJFSA-N 222.328 2.543 0 50 BFAA biogenic,in-vitro CCCCCCOC(=O)CCCCCN 2527953 DJMXYHYLDLVMCZ-UHFFFAOYSA-N 215.337 2.629 0 50 BFAA in-vitro CC(C)c1ccc2[nH]c(C(=O)O)cc2c1 3748658 FUOMWKBVELXWCU-UHFFFAOYSA-N 203.241 2.990 0 50 BFAA in-vitro COc1ccc([C@H](O)c2ccc(F)cc2)cc1 4255931 OPFPEZAJZHPSJX-CQSZACIVSA-N 232.254 2.916 0 50 BFAA in-vitro C=CS(=O)(=O)[C@@H](CC)CCCCC 5503110 XEUWJNJWOCSSAW-JTQLQIEISA-N 204.335 2.904 0 50 BFAA NCc1cccc(-c2ccc(F)cc2)c1 5763215 LEKRFSJCHRYVQJ-UHFFFAOYSA-N 201.244 2.951 0 50 BFAA in-vitro COc1cccc(/C=C/C(=O)NC2CCCC2)c1 6258995 GQYOGUDIRPOUBM-MDZDMXLPSA-N 245.322 2.767 0 50 BFAA Cc1cc(C)cc(OCC(=O)N2CCCCC2)c1 14400014 OXBRYPURIUHYQB-UHFFFAOYSA-N 247.338 2.695 0 50 BFAA Clc1ccc(CNc2ncn[nH]2)c(Cl)c1 18155406 LCTQKTUGPMAQET-UHFFFAOYSA-N 243.097 2.724 0 50 BFAA CC[C@@H]1CCCCN1c1cc(C(=O)O)ccn1 37022845 VVQDHZVYZKKYIF-LLVKDONJSA-N 234.299 2.549 0 50 BFAA in-vitro COc1c(Cl)cc(N)cc1Br 59300065 RGXWSRHXXCULNQ-UHFFFAOYSA-N 236.496 2.693 0 50 BFAA Fc1cccc(-c2c[nH]nc2[C@@H]2CCCNC2)c1 72379962 SVFIYNBZPNQDET-LLVKDONJSA-N 245.301 2.683 0 50 BFAA CCCC(=O)[C@@H]1C[C@@H](C(C)C)CCC1=O 109253559 YUGLCPNBZCECTO-QWRGUYRKSA-N 210.317 2.997 0 50 BFAA NC[C@]12c3ccccc3[C@H]3[C@@H](c4ccccc41)[C@@H]32 247643344 IRIFPDNYPYWIRM-ZYGGUILKSA-N 233.314 2.756 0 50 BFAA CCOc1cc(O)cc(C(F)(F)F)c1 261493811 JXUHJLXZHLDEFX-UHFFFAOYSA-N 206.163 2.810 0 50 BFAA in-vitro CN([C@@H]1C=CCCC1)[C@@H](CO)c1ccccc1 264980008 KIVUDBNTXUTHFF-CABCVRRESA-N 231.339 2.761 0 50 BFAA C[C@H](c1ccc(CO)cc1)C(F)(F)F 299805367 KLTPDDQSEXJDEL-SSDOTTSWSA-N 204.191 2.845 0 50 BFAA Cc1ncc(C)c(-c2cccc(N(C)C)c2)n1 426438965 QAIKJEKZNZHZMP-UHFFFAOYSA-N 227.311 2.826 0 50 BFAA CCO[C@@H](C)C(=O)NC1(c2cccc(C)c2)CC1 426518978 OBLXAUZQIKSWHQ-LBPRGKRZSA-N 247.338 2.525 0 50 BFAA CCCCC[S@@](=O)Cc1cc(C)nc(C)n1 594667175 UGYQOZPCKNWNRS-MRXNPFEDSA-N 240.372 2.532 0 50 BFAA C[C@@H]1C[C@@H](C)CN(C(=O)COc2ccccc2)C1 30926 RPIULTSCBJBBEP-CHWSQXEVSA-N 247.338 2.570 0 50 BFAA Cc1cccc(C(=O)Nc2nccs2)c1 66634 DSEARAKYUSKFIA-UHFFFAOYSA-N 218.281 2.704 0 50 BFAA COc1cccc(C(=O)Nc2ccccc2)c1 361825 OAAVWHUTJIJKOU-UHFFFAOYSA-N 227.263 2.948 0 50 BFAA in-vitro COc1ccc2c(NC(C)=O)cccc2c1 393259 HWCBHRKLFWUFOM-UHFFFAOYSA-N 215.252 2.807 0 50 BFAA in-vitro Cc1ccc(NC(=O)[C@H]2CCCO2)cc1Cl 2774006 PBPAQBVWROIUEM-LLVKDONJSA-N 239.702 2.766 0 50 BFAA O=C(O)Cc1csc(-c2ccc(F)cc2)n1 3457159 QOJQFOYPWWTPCA-UHFFFAOYSA-N 237.255 2.576 0 50 BFAA CC(C)SCn1nnc2ccccc21 5284804 GIDIUFWEWPQMBU-UHFFFAOYSA-N 207.302 2.530 0 50 BFAA COC(=O)C1(c2ccccc2F)CCCC1 9280729 TXZVOFFULSJAER-UHFFFAOYSA-N 222.259 2.811 0 50 BFAA COc1ccc(CN2CCC[C@@H](C)C2)cc1 16662742 VLQCJPGPBNYNND-GFCCVEGCSA-N 219.328 2.927 0 50 BFAA Clc1nc2c(Cl)cncc2s1 59269077 GIABXDLWFMADBA-UHFFFAOYSA-N 205.069 2.998 0 50 BFAA CC1(C)NCc2ccc(Br)cc21 82360152 RAFFCJWZLQPFEX-UHFFFAOYSA-N 226.117 2.787 0 50 BFAA CC[C@@H](C(=O)c1cccs1)N1CCCC1 97758825 NGVNNJYFJYTCCO-JTQLQIEISA-N 223.341 2.805 0 50 BFAA in-vitro C[C@H]1CC[C@@H](c2nc(C(C)(C)C)no2)O1 129159026 JACAAGIILKZTQX-YUMQZZPRSA-N 210.277 2.607 0 50 BFAA Clc1ccc(C2(N[C@H]3CCOC3)CC2)cc1 134236576 UVSGFIMAJNNXTB-LBPRGKRZSA-N 237.730 2.708 0 50 BFAA CCCC(CCC)C(=O)Nc1cnn(C)c1C 178846783 UPKAAWWUYFGMSC-UHFFFAOYSA-N 237.347 2.883 0 50 BFAA NC(=O)CCSCc1ccc(Cl)c(F)c1 190864914 NHVXYGMMSQTFJD-UHFFFAOYSA-N 247.722 2.588 0 50 BFAA O=C(O)C1CC(c2cccc(Cl)c2)C1 215928341 IHPNWEGGODMXKK-UHFFFAOYSA-N 210.660 2.918 0 50 BFAA c1ccc([C@H]2COC(Cc3ccccn3)=N2)cc1 219627467 QHDYXGFBKSWSIR-CQSZACIVSA-N 238.290 2.794 0 50 BFAA CCCCCC[C@@H](O)CN1CCCSCC1 225441005 KUDNRCYVMBWTIJ-CYBMUJFWSA-N 245.432 2.757 0 50 BFAA COc1ccc2c(c1)C1[C@H]3C4C5[C@H]3C2[C@H]5[C@@H]14 247912627 ACYLUOJGJPYKPD-HSWSEXOISA-N 210.276 2.628 0 50 BFAA O=C(c1cc(O)cc(Cl)c1)N1CCCCC1 261493737 IHOSCTDWWJPZKX-UHFFFAOYSA-N 239.702 2.672 0 50 BFAA Cn1ccc2cc(-c3cncc(O)c3)ccc21 1236583767 RXNOCUPLFGMRPL-UHFFFAOYSA-N 224.263 2.946 0 50 BFAA CONC(=O)[C@@H]1CCC(C)(C)c2ccccc21 1875253602 ZPFHHSCCJMVVMA-LLVKDONJSA-N 233.311 2.519 0 50 BFAA CCNC(=O)c1cn(C)c2c(Cl)cccc12 2325784591 XROUJLBZSICYKD-UHFFFAOYSA-N 236.702 2.581 0 50 BFAA C[C@@H](NC(=O)C1CC1)c1ccc2ccn(C)c2c1 2325791242 FEHFURQVTMOMBI-SNVBAGLBSA-N 242.322 2.766 0 50 BFAA COc1cc(/C=C/C(=O)O)ccc1OC(C)C 147909 HCIFIHNJOLFAAX-FNORWQNLSA-N 236.267 2.580 0 50 BFAA biogenic CCOC(=O)/C=C/[C@H]1C[C@H]1c1ccccc1 207734 PEEFCGIMKBGSEH-TYDXBBDOSA-N 216.280 2.909 0 50 BFAA CCN(CC)CC(=O)c1c[nH]c2ccccc12 217286 KEFPCGXODAAGLR-UHFFFAOYSA-N 230.311 2.692 0 50 BFAA O=C(Cc1ccc(Cl)cc1)Nc1cccnc1 327271 RYKWISYLDAUBJQ-UHFFFAOYSA-N 246.697 2.916 0 50 BFAA CCOc1ccccc1CNCc1cccnc1 359774 RYNAEXNJGSTGIL-UHFFFAOYSA-N 242.322 2.770 0 50 BFAA CC[C@@H](O)C(O)(c1ccccc1)c1ccccc1 390811 DWBLJCMBQHQWRY-OAHLLOKOSA-N 242.318 2.693 0 50 BFAA C[C@H]1Oc2ccccc2O[C@]1(O)c1ccccc1 4566060 OMVNOIPTRCIZJH-ABAIWWIYSA-N 242.274 2.692 0 50 BFAA CNCc1ccc(-c2ccccc2F)o1 4942854 YIIYCSRXJHFLTI-UHFFFAOYSA-N 205.232 2.805 0 50 BFAA Cc1ccc([C@@H](O)Cn2nc(C)cc2C)cc1 5416547 WRDRQGLYQLIQST-AWEZNQCLSA-N 230.311 2.542 0 50 BFAA CC[C@@H](CO)NCc1ccc(C(C)C)cc1 6698081 JMWXZPMIHUNGHB-AWEZNQCLSA-N 221.344 2.671 0 50 BFAA Cc1ccccc1C(=O)N[C@H](C)c1ccncc1 6698911 XAJCLTMJHGCWNA-GFCCVEGCSA-N 240.306 2.881 0 50 BFAA Cc1ccc(C)c([C@H](C)NC(=O)[C@@H]2CCCO2)c1 6731445 JPYRABQDGGGWPQ-JSGCOSHPSA-N 247.338 2.660 0 50 BFAA Cc1c(Cl)cc2[nH]c(=O)oc2c1Cl 12372427 YKXMZAWXKYITGP-UHFFFAOYSA-N 218.039 2.736 0 50 BFAA O=C(O)CCc1ccccc1C(F)(F)F 12954344 YTDVNFDGHHHPEE-UHFFFAOYSA-N 218.174 2.723 0 50 BFAA in-vitro Fc1nc(N2CCCC2)ccc1Br 39961264 LMZXGFVWFGHXJZ-UHFFFAOYSA-N 245.095 2.583 0 50 BFAA in-vitro CCC[C@H](C)NC(=O)COc1cccc(C)c1C 49783158 CHJGQYHAUPDIST-LBPRGKRZSA-N 249.354 2.987 0 50 BFAA CCn1cc(-n2cnc3ccccc32)c(C)n1 65396266 CRSVSCSDUYXUKR-UHFFFAOYSA-N 226.283 2.550 0 50 BFAA COc1nc2ccc(Cl)cc2cc1C(=O)O 84050819 CIMZREFRONHEPZ-UHFFFAOYSA-N 237.642 2.595 0 50 BFAA C[C@H]1CCCN1Cc1ccc(-n2ccnc2)cc1 173982627 VJHFSDBCMUTQSK-ZDUSSCGKSA-N 241.338 2.857 0 50 BFAA C[C@@H]1CC[C@@H](OC(=O)c2cocn2)C[C@H]1C 253369804 IIOSMUAHNLIVFT-OPRDCNLKSA-N 223.272 2.656 0 50 BFAA CC[C@]1(C)CCCN(c2ncnc3[nH]ccc23)C1 361180855 UUACFNVJLLJWNP-CQSZACIVSA-N 244.342 2.974 0 50 BFAA Cc1ccnc([C@@H](C)Nc2nc(C)cc(C)n2)c1 1704353964 QEJJZQMYEJPRKE-GFCCVEGCSA-N 242.326 2.970 0 50 BFAA O=C(NCc1cccnc1)[C@H]1CC[C@@H]2CCC[C@@H]21 1857668349 HQTYSENUBMYEJM-IHRRRGAJSA-N 244.338 2.524 0 50 BFAA CC(=O)c1cccc(NC(=O)c2ccco2)c1 35893 XRQNZEZLCWALPB-UHFFFAOYSA-N 229.235 2.735 0 50 BFAA CCc1nc(-c2ccc(Cl)cc2)no1 144519 PLPLVENHKIILDV-UHFFFAOYSA-N 208.648 2.952 0 50 BFAA in-vitro CCSc1sc(CC)cc1CO 281135 WUXNTJZTKSZGLT-UHFFFAOYSA-N 202.344 2.915 0 50 BFAA O=C(NC1CC1)c1cc(F)c(F)cc1Cl 395919 QTYHHEBWFYAYSY-UHFFFAOYSA-N 231.629 2.510 0 50 BFAA Cc1ccc(C)c(NC(=O)NC(C)C)c1 396522 CDBPADOCXBEVGD-UHFFFAOYSA-N 206.289 2.833 0 50 BFAA Cc1ccc(Cl)cc1NC(=O)c1cnccn1 433683 ONUAKLGDZYHNHN-UHFFFAOYSA-N 247.685 2.691 0 50 BFAA Oc1ccc(/C=C\c2cc(O)cc(O)c2)cc1 12353732 LUKBXSAWLPMMSZ-UPHRSURJSA-N 228.247 2.974 0 50 BFAA endogenous,in-man Cc1ccc(C)c(CN2C[C@H](C)O[C@@H](C)C2)c1 23114895 JZSZNRKRQYEFDP-KBPBESRZSA-N 233.355 2.913 0 50 BFAA Clc1ccc(CNCCCn2ccnc2)cc1 34874283 YHLPHFDIOWRIRY-UHFFFAOYSA-N 249.745 2.716 0 50 BFAA O=C(O)CCc1cc2ccccc2s1 39271437 KWKJBEPHOXIJJN-UHFFFAOYSA-N 206.266 2.919 0 50 BFAA in-vitro c1ccc(-n2ccnc2)c(CNC2CCCC2)c1 67250292 YLHNOSJDYVOIOH-UHFFFAOYSA-N 241.338 2.905 0 50 BFAA Cc1ccc(O[C@@]23CCCN(CC2)C3)c(C)c1 67654453 XDNHOUONPMGXAT-HNNXBMFYSA-N 231.339 2.921 0 50 BFAA CC[C@@H](NC(=O)c1ccc[nH]1)c1cccs1 71759159 WAQZPOFPSHCWJE-SECBINFHSA-N 234.324 2.957 0 50 BFAA COC(=O)c1c(Cl)cc(Cl)nc1Cl 91351928 RRAISDXHCRPYTQ-UHFFFAOYSA-N 240.473 2.828 0 50 BFAA CCOc1cc(C(=O)OC)ccc1Cl 97756824 PXEGLLQHUFAZOC-UHFFFAOYSA-N 214.648 2.525 0 50 BFAA C[C@@H]1Cc2ccccc2[C@H]1Nc1cnn(C)c1 157327624 IAIYKUVPTSCWJL-YGRLFVJLSA-N 227.311 2.766 0 50 BFAA Fc1ccc(CNc2nnc(C(F)F)o2)cc1 170605203 ITOUTIIHOPCSCE-UHFFFAOYSA-N 243.188 2.758 0 50 BFAA CC(C)(C)OC(=O)n1cc(C=O)c2ccncc21 218329423 FYSYMOJCMOCTGP-UHFFFAOYSA-N 246.266 2.632 0 50 BFAA C[C@@H]1[C@@H](NCC[C@H](C)[S@](C)=O)CCC[C@H]1C 242273466 YCXBMSMUMCMXCI-UWHVMBRKSA-N 245.432 2.558 0 50 BFAA OCc1coc(-c2ccccc2C(F)(F)F)n1 258129148 PEDNWMNUXMOUON-UHFFFAOYSA-N 243.184 2.853 0 50 BFAA O=C(O)c1cc2c(F)c(F)ccc2s1 259476356 MYJXBKJBHRWUGL-UHFFFAOYSA-N 214.192 2.878 0 50 BFAA COc1ccc(C2(C(=O)O)CCCC2)cc1 241533 OMMROWIAJMZSLF-UHFFFAOYSA-N 220.268 2.592 0 50 BFAA in-vitro Cc1ccccc1O[C@@H](C)C(=O)NCC(C)C 364752 PIFSDKQPFKPPJF-LBPRGKRZSA-N 235.327 2.535 0 50 BFAA O=C(O)c1cccc(-c2ccccc2)c1O 394382 ZJWUEJOPKFYFQD-UHFFFAOYSA-N 214.220 2.757 0 50 BFAA CCOC(=O)Cc1cccc2ccccc12 394916 XIDPSKQLXKCVQN-UHFFFAOYSA-N 214.264 2.945 0 50 BFAA endogenous,in-man Cc1cc(OC(C)(C)C(=O)O)ccc1Cl 1459159 YPACJSWITQPMFV-UHFFFAOYSA-N 228.675 2.890 0 50 BFAA in-vitro COC(=O)[C@H](NC1CCCCC1)c1ccccc1 2506015 GIERMKQJVHUGLN-CQSZACIVSA-N 247.338 2.823 0 50 BFAA O=C(O)CSc1ccccc1Br 3226913 KQUNWFXSYMIICT-UHFFFAOYSA-N 247.113 2.626 0 50 BFAA Nc1cc(C(=O)O)ccc1NC1CCCCC1 4798252 UKGXJCYVYQRBSB-UHFFFAOYSA-N 234.299 2.712 0 50 BFAA CNCCOc1c(Cl)cccc1Cl 5377692 XSWLVFHTEZDTKL-UHFFFAOYSA-N 220.099 2.592 0 50 BFAA Brc1nccc2ccccc12 8382274 YWWZASFPWWPUBN-UHFFFAOYSA-N 208.058 2.997 0 50 BFAA in-vitro CN(Cc1ccccc1)C(=O)C(C)(C)C 11639053 DAAJIFSPEAZXKE-UHFFFAOYSA-N 205.301 2.691 0 50 BFAA N[C@@H]1CCSc2ccc(Br)cc21 35270267 BBIVYWYYBBNZIL-MRVPVSSYSA-N 244.157 2.945 0 50 BFAA OCc1ccc(-c2ccc(F)cc2F)nc1 35630061 KCPIFCAYKASNBQ-UHFFFAOYSA-N 221.206 2.519 0 50 BFAA Fc1ccc(CC[C@@H]2CCCNC2)c(F)c1 51074279 IGEYUVDTZHNNHA-JTQLQIEISA-N 225.282 2.897 0 50 BFAA Brc1ccc([C@@H]2NCCS2)cc1 53993682 YHMUSIBVYIZADU-SECBINFHSA-N 244.157 2.784 0 50 BFAA Cc1ccn(-c2ccc(O)c(-c3ccno3)c2)n1 65385542 UYDFMOHDOQQVGI-UHFFFAOYSA-N 241.250 2.541 0 50 BFAA CCc1nnc(N[C@H](C)c2cccc(OC)c2)o1 91650465 IEVUNKLJRGFFAF-SECBINFHSA-N 247.298 2.814 0 50 BFAA Fc1cc([C@@H]2CO2)ccc1Br 132511861 FNKONCIASNDEKU-QMMMGPOBSA-N 217.037 2.660 0 50 BFAA Cc1cc(=O)c2c([nH]1)[C@@H](C(C)C)CCC2 238231400 IFDHZPHUFBKXCK-SNVBAGLBSA-N 205.301 2.759 0 50 BFAA N[C@H](CF)c1ccc(C(F)(F)F)cc1 238684614 YGIHVJXYBOLZDZ-MRVPVSSYSA-N 207.170 2.675 0 50 BFAA CCc1nnc(SCCCCCF)n1C 241124252 JGSCROVNFCWJNF-UHFFFAOYSA-N 231.340 2.609 0 50 BFAA O=C(O)[C@]12c3ccccc3[C@H]3[C@@H](c4ccccc41)[C@@H]32 247364125 FKSIIJYNCZTDFV-CYGXGOLOSA-N 248.281 2.882 0 50 BFAA OC1[C@H]2C=C[C@H]1[C@H]1[C@H]3C=C[C@@H](c4ccccc43)[C@H]21 247755781 WERFPVGFROEBJU-OSLXHZNNSA-N 236.314 2.846 0 50 BFAA C[C@H](NCC1(C(=O)O)CC1)[C@H](C)c1ccccc1 577069537 KGPHEDSSEXBDJB-RYUDHWBXSA-N 247.338 2.633 0 50 BFAA C=CC(=O)N1CCSc2ccc(Cl)cc21 863971417 SHJUHMSEXKJENX-UHFFFAOYSA-N 239.727 2.965 0 50 BFAA COc1ccc(Br)c2c1OCCC2 953040742 DRNONNPUCFTKFH-UHFFFAOYSA-N 243.100 2.783 0 50 BFAA Cc1[nH]ccc1C(=O)Nc1cnoc1C(C)C 1336089754 USKFPUBRXBRSOI-UHFFFAOYSA-N 233.271 2.687 0 50 BFAA COc1ccc(-c2cnc3cnccn23)cc1F 2100483381 PLMBNXTURQEEIA-UHFFFAOYSA-N 243.241 2.544 0 50 BFAA Cc1cc(C)c2c(C)c(C(=O)N3CCC3)[nH]c2c1 2325771114 VBXMFBZMCDMRPD-UHFFFAOYSA-N 242.322 2.939 0 50 BFAA S=c1[nH]nc2sc3ccccc3n12 160118 QTXZICUYCJDYLP-UHFFFAOYSA-N 207.283 2.607 0 50 BFAA in-vitro Cc1cc(C)c(S(=O)(=O)C(C)C)c(C)c1 399785 UBTJTYGQYBCGHP-UHFFFAOYSA-N 226.341 2.794 0 50 BFAA Cc1cc(C(=O)Nc2cccnc2)c(C)o1 1002139 ZXOVHTUGTCCSGE-UHFFFAOYSA-N 216.240 2.544 0 50 BFAA Cc1ccc([C@H](C)NC(=O)[C@H]2CCCO2)cc1C 1054529 CAXVXLIMLXPGLH-GXTWGEPZSA-N 247.338 2.660 0 50 BFAA O=S(=O)(O)c1cccc2cccc(Cl)c12 1706911 OPFNCYFEIBUZHU-UHFFFAOYSA-N 242.683 2.740 0 50 BFAA in-vitro OCc1nn(Cc2ccccc2)c2ccccc12 2381607 AKQDXNFPEFHRLS-UHFFFAOYSA-N 238.290 2.577 0 50 BFAA in-vitro CO[C@](C)(C(=O)O)c1cccc2ccccc12 2506662 YVWMPILNFZOQSZ-AWEZNQCLSA-N 230.263 2.786 0 50 BFAA in-vitro CCCN1CCC(N2CCC[C@H](C)C2)CC1 3683507 JYOCLHUBQHEJPC-ZDUSSCGKSA-N 224.392 2.593 0 50 BFAA Cc1ccc2c(c1C)OC(=O)CC2(C)C 4610823 LBRFYYGBTNHQBM-UHFFFAOYSA-N 204.269 2.890 0 50 BFAA CCNCc1ccc(OC(C)C)c(OC)c1 4866342 DLBHBVGEFHONPB-UHFFFAOYSA-N 223.316 2.592 0 50 BFAA CN(C(=O)c1ccc(O)cc1)C1CCCCC1 19839348 RKHLQEDAZGKPCW-UHFFFAOYSA-N 233.311 2.797 0 50 BFAA Cc1cc(Br)cc2cnn(C)c12 30678531 LKDVGRQGTBBLIS-UHFFFAOYSA-N 225.089 2.644 0 50 BFAA in-vitro COC(=O)c1coc(C2CCCCC2)n1 34612346 BSFFPIBFBBGNCH-UHFFFAOYSA-N 209.245 2.509 0 50 BFAA in-vitro Cc1cccc2oc(C3CCNCC3)nc12 34924874 LYDSKZDSIRLJGT-UHFFFAOYSA-N 216.284 2.603 0 50 BFAA O[C@@H](c1ccccc1)c1ccncc1Cl 35287470 ASILDIOFOLPMLX-LBPRGKRZSA-N 219.671 2.817 0 50 BFAA CCCC[C@@H](CO)NC1CCCCCC1 41053562 HAEQEVMPEWVTBK-ZDUSSCGKSA-N 213.365 2.850 0 50 BFAA CCOC(=O)Cc1nc2c(Cl)cccc2o1 95835894 WEGKCVYCZQSJLF-UHFFFAOYSA-N 239.658 2.587 0 50 BFAA in-vitro CCOC(=O)CSc1ccccc1CC 96024711 VNHVEMMZCDWYOA-UHFFFAOYSA-N 224.325 2.904 0 50 BFAA Cc1ccccc1[C@H]1CCCN1CCCC(=O)O 116360025 RWANTCOMYFULSG-CQSZACIVSA-N 247.338 2.997 0 50 BFAA CCC(=O)[C@@H](C)C(=O)c1ccccc1F 168124258 XNKLVJXOCLEXQO-MRVPVSSYSA-N 208.232 2.624 0 50 BFAA Fc1cncc(OCCC(F)(F)F)c1 169725440 LCAZUMZKCDYAJN-UHFFFAOYSA-N 209.142 2.552 0 50 BFAA O=C1CCCC[C@@]1(O)c1ccccc1Cl 212620493 TXHGZWYEGMFTJB-GFCCVEGCSA-N 224.687 2.671 0 50 BFAA Nc1ccc2c(c1)CCN(C1CCCC1)CC2 216662514 YVHQXRBVSTVZAT-UHFFFAOYSA-N 230.355 2.612 0 50 BFAA Clc1ccc(Br)c2ccnn12 238582538 RVWHECSLIOXXFN-UHFFFAOYSA-N 231.480 2.750 0 50 BFAA CCN(CCn1cc(C)cn1)c1ccccc1 253416334 CUEJETPURJRAEW-UHFFFAOYSA-N 229.327 2.718 0 50 BFAA C[C@H](CO)SCc1nsc2ccccc12 585118483 QJUKYIPCDVTZPW-MRVPVSSYSA-N 239.365 2.910 0 50 BFAA CCCc1onc(-c2ccco2)c1C(=O)O 675058204 XTPMCQMKAADPAU-UHFFFAOYSA-N 221.212 2.585 0 50 BFAA CSc1nc2ccccc2cc1C=O 163169 CPVCVAVEXFRUFB-UHFFFAOYSA-N 203.266 2.769 0 50 BFAA OC[C@H]1CCCCN1Cc1ccc(Cl)cc1 247698 JBWCXKGQDMBBCO-CYBMUJFWSA-N 239.746 2.687 0 50 BFAA CCOC(=O)c1ccc(CN(CC)CC)cc1 283860 ZGFXGJKXYRUVKG-UHFFFAOYSA-N 235.327 2.705 0 50 BFAA CCC(=O)N[C@@H](C)CCc1ccccc1 375368 ASEOMIRZIMEYSQ-NSHDSACASA-N 205.301 2.534 0 50 BFAA Cc1ccc(CSCC(=O)N2CCCC2)cc1 443926 UGSWJNBMDVEDLN-UHFFFAOYSA-N 249.379 2.851 0 50 BFAA CC(C)CCn1c(N)nc2ccccc21 2568908 MQRMNTLFZVWVHA-UHFFFAOYSA-N 203.289 2.665 0 50 BFAA in-vitro CC(=O)c1ccc(F)cc1N1CCCC1 2650162 OEBXEPGKHBCKCZ-UHFFFAOYSA-N 207.248 2.629 0 50 BFAA in-vitro Nc1cc(-c2ccc(Cl)cc2Cl)n[nH]1 4234699 XSHXVQWCAGNATP-UHFFFAOYSA-N 228.082 2.966 0 50 BFAA in-vitro CCc1ccc(OCCN(CC)CC)cc1 4989707 LLDMYGZAFRIZRL-UHFFFAOYSA-N 221.344 2.970 0 50 BFAA CCN(CC)CCCC(=O)c1ccccc1 5649764 BXENNERVHQAIAY-UHFFFAOYSA-N 219.328 2.991 0 50 BFAA CCCCc1nnc(S)n1Cc1ccccc1 6359943 PPWUMFUHHNNGPZ-UHFFFAOYSA-N 247.367 2.958 0 50 BFAA CCOC(=O)[C@@H](CC)Oc1ccc(F)cc1 6603642 RUZIVYOPFLJDGQ-LLVKDONJSA-N 226.247 2.546 0 50 BFAA OCc1cc(Cl)ccc1Br 15442658 YOLUSOFTODTRQV-UHFFFAOYSA-N 221.481 2.595 0 50 BFAA O[C@@H](CNCc1cccs1)c1ccccc1 19735701 QZCQMSVDIPEADQ-ZDUSSCGKSA-N 233.336 2.571 0 50 BFAA CCCC[C@H](CC)COCCN1CCOCC1 19911998 YAQPSASHYXBWDP-AWEZNQCLSA-N 243.391 2.552 0 50 BFAA CCc1ccccc1O[C@@H](C)C(=O)N1CCCC1 20039716 FLKINIJLCVZPFE-LBPRGKRZSA-N 247.338 2.639 0 50 BFAA CC(C)CCOc1ccc(C(=O)N(C)C)cc1 20117177 CKFALOMXPZWGKK-UHFFFAOYSA-N 235.327 2.813 0 50 BFAA CCOC(=O)c1cccc(Br)c1F 28278510 GQNWAVFXHZEZKP-UHFFFAOYSA-N 247.063 2.765 0 50 BFAA Cc1ccc(Nc2nc(C)c(C)c(=O)[nH]2)c(C)c1 66324450 HSIFYNOROPAJKN-UHFFFAOYSA-N 243.310 2.747 0 50 BFAA COc1cc(Cl)c(Cl)cc1C=O 67802873 VWAPYGIUFGJSBD-UHFFFAOYSA-N 205.040 2.815 0 50 BFAA CCc1ccc(-c2nc([C@H]3CCOC3)no2)cc1 96147779 DYRNRNNDOUQNNQ-LBPRGKRZSA-N 244.294 2.803 0 50 BFAA Cc1occc1SCC(=O)Nc1ccncc1 131506903 SGJUWPZREQOVOI-UHFFFAOYSA-N 248.307 2.714 0 50 BFAA CC(C)=CCC[C@H](C)N[C@@H]1C=C[C@H](CO)C1 134809383 NMUQCMHVNFURME-MELADBBJSA-N 223.360 2.648 0 50 BFAA CC1(C)C[C@]23C(=O)CC[C@H](O)[C@@]2(C)CC[C@@H]13 169294805 UHRWOVVMQAASAO-ZNIXKSQXSA-N 222.328 2.543 0 50 BFAA in-vitro CCN(CC)CCCSC1=N[C@H](C)CS1 194558885 WNNZNGOTWPAQFY-SNVBAGLBSA-N 246.445 2.943 0 50 BFAA CCOc1ccc(C=O)c(F)c1Cl 261507192 GJGRZFNYYFHAAA-UHFFFAOYSA-N 202.612 2.690 0 50 BFAA in-vitro CO[C@H](C)c1ccc(-c2ccc(CN)cn2)cc1 426490712 OPIUCHXLEHJSNV-LLVKDONJSA-N 242.322 2.915 0 50 BFAA COc1ccc(F)cc1-c1nc(C)cnc1C 426615375 FYHAKKGKVREMHQ-UHFFFAOYSA-N 232.258 2.908 0 50 BFAA CCCc1cc(F)ccc1[C@H](O)c1ncc[nH]1 914431265 IDFPQEHZYBXIFO-LBPRGKRZSA-N 234.274 2.583 0 50 BFAA in-vitro c1coc(-c2nccn2C[C@H]2CCCOC2)c1 1875250412 WUGRSNIAYMUZDC-LLVKDONJSA-N 232.283 2.570 0 50 BFAA Cc1nc(C2(NCC3=CCCCCC3)CC2)n[nH]1 2325802415 GJCPQSWXRVEOII-UHFFFAOYSA-N 246.358 2.582 0 50 BFAA Cc1ccc(NC(=O)c2cnccn2)cc1Cl 182935 QHDVQVSQXPDGQS-UHFFFAOYSA-N 247.685 2.691 0 50 BFAA Nc1ccccc1C(=O)OCc1ccccc1 2169730 ZHZPDMZPDWXVMJ-UHFFFAOYSA-N 227.263 2.626 0 50 BFAA biogenic,in-vitro CCCCc1ccc(NC(=O)CC(C)=O)cc1 2485755 TUVTWEIYKNQNKS-UHFFFAOYSA-N 233.311 2.947 0 50 BFAA Brc1ccoc1Br 2572476 GKPGEBCMRMQOPF-UHFFFAOYSA-N 225.867 2.805 0 50 BFAA Cc1n(C)c2c3ccccc3sc2[n+]1C 3127918 RXUFLVUJMDTJDS-UHFFFAOYSA-N 217.317 2.526 0 50 BFAA O=C(COc1ccccc1)N1CCCCCCC1 6728652 BIJUSLNHJLONEF-UHFFFAOYSA-N 247.338 2.858 0 50 BFAA CNC/C=C/COc1cccc(C(C)C)c1 12383078 YZNSREDLCVDFMQ-SNAWJCMRSA-N 219.328 2.964 0 50 BFAA COc1cccc(CNCCC(C)C)c1OC 13718031 YIDXSSUUIQPVIJ-UHFFFAOYSA-N 237.343 2.840 0 50 BFAA Fc1cccc(CCNCc2ccccn2)c1 17360629 WVGQCQRZPUDAQM-UHFFFAOYSA-N 230.286 2.553 0 50 BFAA Cc1occc1C(=O)N1C[C@@H](C)C[C@@H](C)C1 18006268 JENVRFLBGVMGSO-AOOOYVTPSA-N 221.300 2.706 0 50 BFAA CNCc1csc(-c2cccs2)n1 19088324 LTAGBMOGFFGWBG-UHFFFAOYSA-N 210.327 2.591 0 50 BFAA in-vitro CCc1nc2ccccc2n1[C@@H](CC)C(=O)O 19091270 AXRZRQSWDLSUKC-JTQLQIEISA-N 232.283 2.634 0 50 BFAA CN(C(=O)c1cccc(O)c1)C1CCCCC1 19839326 VDDMBZPZLZRQAM-UHFFFAOYSA-N 233.311 2.797 0 50 BFAA CC[C@H](C)[C@@H](C(=O)OC)c1ccccc1 35100076 DEMNWNQRDYJAFU-CMPLNLGQSA-N 206.285 2.989 0 50 BFAA Cc1cc(C(=O)O)sc1Br 38540783 HSHPZFSEXMTXSY-UHFFFAOYSA-N 221.075 2.517 0 50 BFAA in-vitro O=C(O)c1ccc(-c2ccccc2)c(O)c1 44559904 DSADESJTZDXCPN-UHFFFAOYSA-N 214.220 2.757 0 50 BFAA in-vitro NCc1ccc(F)c(-c2cccc3ccnn23)c1 72122508 WYWHIYOJDADENH-UHFFFAOYSA-N 241.269 2.599 0 50 BFAA Cc1cccc(CN(C)CCC2CCOCC2)n1 97831186 PXGOGNDQPWUIIF-UHFFFAOYSA-N 248.370 2.639 0 50 BFAA COc1ccc(CNc2cscn2)cc1 215519374 HQOJXWIAYFGBHI-UHFFFAOYSA-N 220.297 2.764 0 50 BFAA Oc1cc(Br)cc(C(F)(F)F)n1 238727219 ZLTUEPQWZSSWHR-UHFFFAOYSA-N 241.994 2.569 0 50 BFAA C1CCC2(C1)C[C@@H]2c1nc(C2CC2)no1 334982290 KEZUCNNAJVZVOK-SECBINFHSA-N 204.273 2.995 0 50 BFAA CC1=C(C(=O)NCC2CC(F)(F)C2)CCC1 336354281 WPXJRXMMFWAELI-UHFFFAOYSA-N 229.270 2.648 0 50 BFAA COc1ccccc1CNCc1cc(C)ns1 404502289 YRRPDZMJEFYMMU-UHFFFAOYSA-N 248.351 2.750 0 50 BFAA Fc1ccc(-c2cc(-c3cc[nH]n3)on2)cc1 864045288 PUOINIYFCUUFIT-UHFFFAOYSA-N 229.214 2.871 0 50 BFAA C[C@@H](O)c1ccc(-c2cccc(CO)c2)s1 1772716144 SXPQSYSNDLJGSE-SECBINFHSA-N 234.320 2.961 0 50 BFAA CN1CCC(CCCC2CCN(C)CC2)CC1 56501 JWOTWWORMYMZCR-UHFFFAOYSA-N 238.419 2.840 0 50 BFAA CC[C@@H](C)NC(=O)c1cccc(Cl)c1 126188 OLOWHVKHONPEBQ-MRVPVSSYSA-N 211.692 2.868 0 50 BFAA Cc1c(C(=O)O)cc(-c2ccccc2)n1C 387931 TWKHIBUROIJSPC-UHFFFAOYSA-N 215.252 2.699 0 50 BFAA O=C(c1ccco1)c1c[nH]c2ccccc12 566973 ZGNXEAXRPSISJF-UHFFFAOYSA-N 211.220 2.992 0 50 BFAA in-vitro CC(C)(C)OC(=O)Nc1ccsc1C(=O)O 2583121 QAXIGPOUDYLWDU-UHFFFAOYSA-N 243.284 2.793 0 50 BFAA in-vitro O=C(O)c1cc2ccc(Br)cc2o1 5763295 ULBSHNJYWRMJRZ-UHFFFAOYSA-N 241.040 2.894 0 50 BFAA in-vitro CCOC(=O)[C@H](CC(C)C)n1cccc1 6658163 ZQQLFDUELNLZPT-NSHDSACASA-N 209.289 2.638 0 50 BFAA in-vitro C[C@H]1CCCCN1CCOc1ccc(C=O)cc1 6681920 LHPGRQBHPDXRKT-ZDUSSCGKSA-N 247.338 2.752 0 50 BFAA Cc1ccc(-c2cc(C(=O)O)no2)cc1C 11757618 OQJZVSPZLQYBRS-UHFFFAOYSA-N 217.224 2.657 0 50 BFAA CCCNC(=O)[C@H](C)Oc1cc(C)ccc1C 13710630 KJLPSMXXGYRLBU-LBPRGKRZSA-N 235.327 2.597 0 50 BFAA Fc1ccc(OC2CCNCC2)c(Cl)c1 14628574 LZIIPYMGXICIBO-UHFFFAOYSA-N 229.682 2.610 0 50 BFAA O=C1CN(C(c2ccccc2)c2ccccc2)C1 15772412 AVUDXLOVIBJFQA-UHFFFAOYSA-N 237.302 2.661 0 50 BFAA in-vitro CCCCOc1ccc(CN2CCOCC2)cc1 19635006 NYZAGQBRGGNDHU-UHFFFAOYSA-N 249.354 2.698 0 50 BFAA c1ccc(COC2CCC3(CC2)OCCO3)cc1 38294400 ODHJKDCIQWMCOS-UHFFFAOYSA-N 248.322 2.889 0 50 BFAA CC[C@H](O)Cn1ccnc1-c1sccc1C 65399333 QRQKPNMURMHANE-JTQLQIEISA-N 236.340 2.691 0 50 BFAA CN(Cc1ccc(F)cc1)C(=O)[C@H]1CC1(C)C 133790281 ASDLDIJHNWPNFP-GFCCVEGCSA-N 235.302 2.830 0 50 BFAA Cc1occ(-c2ccccc2)c1C(=O)O 166531368 HVIVYHHWNWNUDT-UHFFFAOYSA-N 202.209 2.953 0 50 BFAA CC(C)OCCCC(=O)N1CCCCC[C@@H]1C 170594136 DRYVZGRUNQADNN-ZDUSSCGKSA-N 241.375 2.983 0 50 BFAA CCN(CC)C(=O)Cc1cnc2ccccc2c1 172319829 DSENSGFKCAVDTL-UHFFFAOYSA-N 242.322 2.646 0 50 BFAA CC(C)=C1C(=O)NC/C1=C\c1ccccc1 206578105 CEVYOTZMISINKD-XYOKQWHBSA-N 213.280 2.536 0 50 BFAA CCN(CC)C(=O)C[C@H]1C[C@H]2CC[C@H]1C2 225229562 HRADBHDXXRYUMF-SDDRHHMPSA-N 209.333 2.681 0 50 BFAA Cc1ccc([C@@H]2[C@@H](C)CCCN2CC(=O)O)cc1 237574460 VLSSEQJQTAEUKH-WFASDCNBSA-N 247.338 2.853 0 50 BFAA C=CC(=O)N[C@@H](CC)c1cc(F)ccc1OC 1356521409 UEGSSBRQOHZTHY-NSHDSACASA-N 237.274 2.588 0 50 BFAA CC[C@@]12C[C@H]1CN(C(=O)c1cc(C(C)C)on1)C2 1772814615 KAJAVZRBOISEMB-HZMBPMFUSA-N 248.326 2.670 0 50 BFAA Fc1ccc2cc(-c3ncsn3)cnc2c1 1875247939 WAXFWEYLKUHGDK-UHFFFAOYSA-N 231.255 2.892 0 50 BFAA CCc1cccc(CN(C)CCc2cnc[nH]2)c1 1875273801 JTOMSRFIBAHBAO-UHFFFAOYSA-N 243.354 2.647 0 50 BFAA Cc1cnnc(-c2cc(F)c(O)c(F)c2)c1C 2356152972 KMFUGSUTMKRKNL-UHFFFAOYSA-N 236.221 2.744 0 50 BFAA CN(C)c1ccc(-c2ocnc2CC2CC2)cn1 2356157991 UZVMEGSAHOUYGN-UHFFFAOYSA-N 243.310 2.755 0 50 BFAA CC1=NN(C(=O)Cc2ccccc2)C(C)(C)C1 128870 WTZPJBRUTHYXHS-UHFFFAOYSA-N 230.311 2.616 0 50 BFAA C[C@@H](CC(=O)NCc1ccccc1)[C@H]1CCCO1 198735 JCBJRIFKIORSDK-GXTWGEPZSA-N 247.338 2.508 0 50 BFAA Cc1ccc(-c2nc3ccccc3[nH]2)cn1 207889 SCFVRBDHVFEHCW-UHFFFAOYSA-N 209.252 2.933 0 50 BFAA CCN(Cc1ccncc1)C(=O)c1ccccc1 215088 UBDBCSHYTVYMFN-UHFFFAOYSA-N 240.306 2.744 0 50 BFAA CCNC(=O)[C@H](C)Oc1ccc(Cl)cc1C 473807 VYEOUMPUADYWQG-VIFPVBQESA-N 241.718 2.552 0 50 BFAA Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCO2)cc1C 1054531 CAXVXLIMLXPGLH-JSGCOSHPSA-N 247.338 2.660 0 50 BFAA O=C1N=C(c2ccccc2)N/C1=C\c1ccccc1 5731359 KAWZYGYMVASGLF-KAMYIIQDSA-N 248.285 2.604 0 50 BFAA Cc1cccc(NC(=O)C2CCCC2)n1 6846761 YZFYCXNYZBXPQC-UHFFFAOYSA-N 204.273 2.519 0 50 BFAA Cc1ccc(Nc2ncc(C(=O)O)c(C)n2)cc1 8733480 HEWYPQPESCARCJ-UHFFFAOYSA-N 243.266 2.535 0 50 BFAA c1cncc(-c2nnc(-c3cccnc3)s2)c1 34567249 VEESCDPNZLKYDS-UHFFFAOYSA-N 240.291 2.662 0 50 BFAA CCOc1cc(Br)ccc1OC 38536951 WWHVUIQBSPEWNK-UHFFFAOYSA-N 231.089 2.856 0 50 BFAA in-vitro C[C@H](c1cccc(-c2cnccn2)c1)N(C)C 65376558 INEBJDIUZKNDQU-LLVKDONJSA-N 227.311 2.766 0 50 BFAA CC(C)(O)CCc1ccc(CN2CCCC2)cc1 72436538 PMCKORCMUZTVEJ-UHFFFAOYSA-N 247.382 2.986 0 50 BFAA Cc1ccc(/N=c2/ssnc2Cl)nc1 100475545 LBEWEPZNDKOVBC-DHZHZOJOSA-N 243.744 2.794 0 50 BFAA Cc1ccccc1C(=O)N1CCC[C@H]1CF 294117134 PIRWYKHBYBCBDY-NSHDSACASA-N 221.275 2.569 0 50 BFAA C[C@@H]1CN(Cc2ccccn2)CCC1(F)F 336230118 AEXNKXRYIKZVKB-SNVBAGLBSA-N 226.270 2.559 0 50 BFAA Cc1cc2c[nH]nc2cc1[C@@H]1C[C@H](C)CCN1 757215697 XBHWFQHDPZRASK-OTYXRUKQSA-N 229.327 2.932 0 50 BFAA Cc1nc(N)ccc1-c1ccc2c(c1)CC[C@@H]2O 904768202 RLZHTVNVWJFPPE-AWEZNQCLSA-N 240.306 2.619 0 50 BFAA Cc1cc(C)nc(CN(C)CC[C@@H]2CCOC2)c1 1529090907 KFBAYAGLNVRFJL-CQSZACIVSA-N 248.370 2.557 0 50 BFAA C=CC(=O)Nc1cccc(C(=O)C(F)(F)F)c1 1776007075 LTGSZDXJNQSYDF-UHFFFAOYSA-N 243.184 2.556 0 50 BFAA Cc1cc(Cn2ccnc2C2CCCC2)on1 1875247202 FJNOKHVKBOSIEM-UHFFFAOYSA-N 231.299 2.885 0 50 BFAA CCc1ccc(OCC(=O)NC2CCCC2)cc1 146555 LDLBQIDCPSGFHT-UHFFFAOYSA-N 247.338 2.687 0 50 BFAA O=C(NCCc1ccccc1)c1ccc(F)cc1 188177 WDFNXEQNOIUFEP-UHFFFAOYSA-N 243.281 2.798 0 50 BFAA CC(C)(C)NC(=O)Cc1ccccc1Cl 372201 QRRVXXQCCWEHIA-UHFFFAOYSA-N 225.719 2.797 0 50 BFAA Oc1cc(Cl)nnc1-c1ccccc1 15020166 ZUSHSDOEVHPTCU-UHFFFAOYSA-N 206.632 2.503 0 50 BFAA COc1ccc(Oc2ccc(C(=O)O)o2)cc1 20274396 NNXRUURHXIGDTF-UHFFFAOYSA-N 234.207 2.779 0 50 BFAA COc1ccc(CN[C@@H]2CC[C@@H](C)C2)cc1 23280198 YCQVBVSPOWIZHQ-DGCLKSJQSA-N 219.328 2.973 0 50 BFAA Cc1cc(-c2c(C)cccc2C)nc(N)n1 32547795 BXZCCAPYGPZIDA-UHFFFAOYSA-N 213.284 2.651 0 50 BFAA O=C(CCc1ccccc1F)NC1CCCC1 32714816 PGCUXCQAOZUCGQ-UHFFFAOYSA-N 235.302 2.817 0 50 BFAA O=Cc1ccc(F)c(C(F)(F)F)c1F 40571359 IVVUVBIECSBSQR-UHFFFAOYSA-N 210.101 2.796 0 50 BFAA in-vitro CCC(=O)[C@@H](C)COCc1ccccc1 43763662 AFNDRZYNYFTKKW-NSHDSACASA-N 206.285 2.818 0 50 BFAA CCNc1ccnc(-c2ccc3c(c2)CCO3)n1 50865675 QYHPSYIBKRMVLM-UHFFFAOYSA-N 241.294 2.510 0 50 BFAA COc1c(C)cc(-c2cnccc2N)cc1C 65373589 FAGWRUOKPZMRRZ-UHFFFAOYSA-N 228.295 2.956 0 50 BFAA Fc1ccc(-c2c[nH]nc2[C@@H]2CCCNC2)cc1 67723466 APVPIEDRAKLNGP-LLVKDONJSA-N 245.301 2.683 0 50 BFAA Nc1s[s+]c(N)c1-c1ccccc1 95918168 AFYYWQMUJYVHTD-UHFFFAOYSA-N 209.319 2.922 0 50 BFAA O=C(O)/C=C/c1cccc(F)c1Cl 166557898 ILTHTYVKVJJPES-SNAWJCMRSA-N 200.596 2.577 0 50 BFAA Cc1nn2c(Cl)cc(Cl)nc2c1C 218511147 HVIZYVKRMWDBIM-UHFFFAOYSA-N 216.071 2.653 0 50 BFAA in-vitro COc1ccc(Cl)c(N)c1Br 234858027 UKNUTDZTJPKCFU-UHFFFAOYSA-N 236.496 2.693 0 50 BFAA O=C(O)Cc1cc(F)cc(Cl)c1Cl 263625090 WQTGSMBMSLBHOB-UHFFFAOYSA-N 223.030 2.760 0 50 BFAA Cn1ccc(CNC2CCC(F)(F)CC2)c1 336222549 ZDJVHKWVPNMKKU-UHFFFAOYSA-N 228.286 2.693 0 50 BFAA CC(C)c1cccc(OCC[C@H]2CCNC2=O)c1 585137045 FNZHKTPFYXSLGS-GFCCVEGCSA-N 247.338 2.715 0 50 BFAA C=CC(=O)N(C)CC(C)(C)c1ccc(C)cc1 1336674987 BJZCEIHSRXJVHE-UHFFFAOYSA-N 231.339 2.917 0 50 BFAA Nc1ccc2nn(-c3cccc(Cl)c3)nc2c1 123087 LLDIDGHVAUHMSE-UHFFFAOYSA-N 244.685 2.656 0 50 BFAA O=C(COc1ccccc1)NC1CCCCCC1 146567 QDTREGWSWLVRHM-UHFFFAOYSA-N 247.338 2.904 0 50 BFAA C[C@@H](CCc1ccccc1)NC[C@@H]1CCCO1 221443 MCHGAQOKJAJLPN-ZFWWWQNUSA-N 233.355 2.776 0 50 BFAA Brc1ccncc1Br 330777 ZFZWZGANFCWADD-UHFFFAOYSA-N 236.894 2.607 0 50 BFAA in-vitro Nc1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1 1403937 YKEDJVVQHWJYBR-UHFFFAOYSA-N 228.082 2.966 0 50 BFAA in-vitro CC(=O)Nc1ccc(O)c2ccccc12 1437230 KBJFWKRDRSFIBS-UHFFFAOYSA-N 201.225 2.504 0 50 BFAA S=c1nc[nH]c2sc3c(c12)CCC3 1793956 UZIFVIYMKOHMQD-UHFFFAOYSA-N 208.311 2.843 0 50 BFAA in-vitro Cc1c(Cl)cccc1NC(=O)c1ccnn1C 2741560 UMFYPGOYXJXJQV-UHFFFAOYSA-N 249.701 2.634 0 50 BFAA CN(C)CCCCOc1ccc(F)cc1 2823167 MSOJIZAWLZNOSA-UHFFFAOYSA-N 211.280 2.546 0 50 BFAA C[C@@H]1C[C@@H]1C(=O)Nc1ccc(Cl)cc1 3433570 LDOICKODKWUUEX-XCBNKYQSSA-N 209.676 2.935 0 50 BFAA CCCC(=O)Nc1cccc(NC(=O)C2CC2)c1 9229935 YKRCAPDVIGFICB-UHFFFAOYSA-N 246.310 2.774 0 50 BFAA Cc1ccccc1SCCCC(=O)O 11864361 KPIOPRMFGFQEIB-UHFFFAOYSA-N 210.298 2.952 0 50 BFAA CCC(=O)Nc1ccc(C(=O)N[C@@H](C)CC)cc1 12138740 XAECELFTTFHQEY-JTQLQIEISA-N 248.326 2.563 0 50 BFAA NC[C@H](c1c(F)cccc1Cl)N1CCCC1 19702473 ZWIIAFWOVYXJTG-LLVKDONJSA-N 242.725 2.575 0 50 BFAA O=c1cccc(-c2cccc(Cl)c2)[nH]1 65339059 NLBGSFNRDMUDSL-UHFFFAOYSA-N 205.644 2.695 0 50 BFAA Cc1n[nH]c2cc(F)c(Br)cc12 75629414 LAHMHTLOIHUMFQ-UHFFFAOYSA-N 229.052 2.773 0 50 BFAA in-vitro Cc1ccn2c(Br)c(C)nc2c1 82360976 MDTPDAWPCKKFHE-UHFFFAOYSA-N 225.089 2.714 0 50 BFAA CCOc1cc2cn[nH]c2cc1Br 89197449 GKYHSARCLYQEGV-UHFFFAOYSA-N 241.088 2.724 0 50 BFAA CCN[C@]1(c2ccccc2C)CCCCC1=O 96027545 HKZJTLUUERICPT-HNNXBMFYSA-N 231.339 2.943 0 50 BFAA c1ccc(OCc2noc(-c3ccco3)n2)cc1 123417938 FOJCLDHCOFXETJ-UHFFFAOYSA-N 242.234 2.909 0 50 BFAA Cc1cccnc1C(=O)N1C[C@H]2CCC[C@@H](C2)C1 335102603 SCNAPWTUBFLRAU-STQMWFEESA-N 244.338 2.652 0 50 BFAA CN(CCC(C)(C)C)c1ncnc2[nH]ccc12 645341875 GATXRKAZFGRBIG-UHFFFAOYSA-N 232.331 2.830 0 50 BFAA COc1c(CSCCC2CC2)occc1=O 2325800418 FYAMNKREBCIZNN-UHFFFAOYSA-N 240.324 2.682 0 50 BFAA CN(Cc1ccccc1)C(=O)Cc1ccccc1 64455 GRFBWSZPLRQGMH-UHFFFAOYSA-N 239.318 2.888 0 50 BFAA CC(C)CNC(=O)c1ccccc1Cl 126142 CFDLINMQKPWZDV-UHFFFAOYSA-N 211.692 2.726 0 50 BFAA CC(=O)N[C@@H]1CCCc2c1[nH]c1ccc(C)cc21 183187 LZCVYJZYDMKSKP-CQSZACIVSA-N 242.322 2.990 0 50 BFAA O=Cc1cc(Cc2ccccc2)cc(C=O)c1O 291348 SSGCDTFBOKKEAY-UHFFFAOYSA-N 240.258 2.608 0 50 BFAA Cc1cccc(NC(=O)NCc2ccccn2)c1 371595 IVCDMXUBNUIFTK-UHFFFAOYSA-N 241.294 2.712 0 50 BFAA c1ccc2c([C@@H]3CCCCN3)c[nH]c2c1 1725787 ZAOROLLUGHLEDW-ZDUSSCGKSA-N 200.285 2.983 0 50 BFAA in-vitro c1ccc2oc(C3CCNCC3)cc2c1 2553890 PWGXETSPNUBPGV-UHFFFAOYSA-N 201.269 2.900 0 50 BFAA CCSCC(=O)Nc1cccc(C)c1 2866592 KVNZWUPPAYYIER-UHFFFAOYSA-N 209.314 2.687 0 50 BFAA Clc1ccccc1[C@H]1CSCCN1 4253941 UXSQOKXSAKGEKA-SNVBAGLBSA-N 213.733 2.718 0 50 BFAA in-vitro CCN1C(=O)S/C(=C/c2cccs2)C1=O 4949660 CXWWHVLRKHXUMR-SOFGYWHQSA-N 239.321 2.804 0 50 BFAA C1=CC[C@H](CN2CCC[C@H](c3ccn[nH]3)C2)CC1 12150540 QMHUOLWEAZBZEX-KBPBESRZSA-N 245.370 2.945 0 50 BFAA c1cncc(-c2cnn([C@@H]3CCCCO3)c2)c1 60289622 GMYLJUVALRLJLF-ZDUSSCGKSA-N 229.283 2.644 0 50 BFAA CC[C@@H]1C=CCN1C(=O)c1cc(C(C)C)on1 65430497 FRMXLWOJUAFSAX-SNVBAGLBSA-N 234.299 2.589 0 50 BFAA COc1cccc2sc(C(=O)O)cc12 80443947 HTOLZPMMZRKTCP-UHFFFAOYSA-N 208.238 2.608 0 50 BFAA in-vitro COC(=O)C12CCC(Br)(CC1)CC2 85399492 QPKJFWIGJBWLTB-UHFFFAOYSA-N 247.132 2.647 0 50 BFAA CN(CCCCCCO)c1ccc(F)c(F)c1 170654447 NMUJLKFLBRCQQS-UHFFFAOYSA-N 243.297 2.954 0 50 BFAA CN(C)c1ccc(Br)c(F)c1F 230543646 NANHVPNFQOXUMI-UHFFFAOYSA-N 236.059 2.793 0 50 BFAA Cl/C=C/CN1CCNc2ccccc21 236010961 ZASCKRZLTPKXKD-ZZXKWVIFSA-N 208.692 2.671 0 50 BFAA CC[C@H](c1ccccc1)[C@@H]1CCCN1CC(=O)O 236907034 LSXKWPWKWQZJNU-KGLIPLIRSA-N 247.338 2.729 0 50 BFAA COC(=O)c1cc(Cl)cc(SC)c1 238359271 OCAMOCJHVPGTKS-UHFFFAOYSA-N 216.689 2.849 0 50 BFAA CCCCCNC(=O)N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]21 240333483 FDMWFLRDHPDGNF-WUHRBBMRSA-N 236.359 2.617 0 50 BFAA C[C@H]([C@H](O)c1ccc(F)cc1)N1CCCCC1 584620882 LSJZIYPSKQUOEB-RISCZKNCSA-N 237.318 2.734 0 50 BFAA CC1(C)CC(=O)c2c(-c3ccccn3)n[nH]c2C1 2080383911 BZNFLJDSLGKGAM-UHFFFAOYSA-N 241.294 2.627 0 50 BFAA O=c1cc(O)c2cc(Cl)cc(Cl)c2o1 57988 PCBFNVWYTUVIOL-UHFFFAOYSA-N 231.034 2.805 0 50 BFAA biogenic,in-vitro Nc1ccc(-c2nnc(-c3ccco3)o2)cc1 176919 GFVJJNIIMSPNRZ-UHFFFAOYSA-N 227.223 2.579 0 50 BFAA in-vitro O=C(O)c1ccc2[nH]c3c(c2c1)CSCC3 211120 KWLCAPKPQWXVPQ-UHFFFAOYSA-N 233.292 2.655 0 50 BFAA biogenic CC(=O)N(C1=NCCCCS1)c1ccccc1 336318 YBCVABBBEWBSFN-UHFFFAOYSA-N 248.351 2.923 0 50 BFAA NC(=O)[C@@H]1CC2c3ccccc3C1c1ccccc12 401169 BDIDGNORHMTFLX-HWOWSKLDSA-N 249.313 2.769 0 50 BFAA COc1cccc(OCCCN2CCCC2)c1 2494291 TZOCWLNKSKDYEU-UHFFFAOYSA-N 235.327 2.560 0 50 BFAA CC[C@H](C)NC(=O)CCCc1ccccc1 2882471 BUQASXUPXAUPAL-LBPRGKRZSA-N 219.328 2.924 0 50 BFAA Cc1cc(N)n(-c2ccccc2C(F)(F)F)n1 3216266 WRGSUGOZPLVAIQ-UHFFFAOYSA-N 241.216 2.782 0 50 BFAA in-vitro O=[S@]1CCCS[C@H]1c1ccccc1 4800542 JLNVOXAMHSCFHV-ZWNOBZJWSA-N 212.339 2.571 0 50 BFAA O=C(O)c1ccc(Br)c(Cl)c1 12359380 PSKJIHDVFDVNBU-UHFFFAOYSA-N 235.464 2.801 0 50 BFAA in-vitro C[C@@H]1C[C@H]1C(=O)NC1CCCCCCC1 13329321 SEFREKPHHHXHTH-ZYHUDNBSSA-N 209.333 2.872 0 50 BFAA CCC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 41285186 IGSFTWJIBCDRRD-UHFFFAOYSA-N 241.331 2.613 0 50 BFAA in-vitro Brc1ccc([C@H]2CCOC2)cc1 72193146 JAVFDQBREKPGPG-VIFPVBQESA-N 227.101 2.953 0 50 BFAA in-vitro Cc1ccc(-c2cc(CCCO)on2)cc1 95100055 QKAROQYAMWBNGP-UHFFFAOYSA-N 217.268 2.575 0 50 BFAA Brc1cccc2c1[C@@H]1C[C@H]1CN2 100643031 OOPYDFSMULRLQF-NKWVEPMBSA-N 224.101 2.978 0 50 BFAA COc1cc(-c2ccc(C=O)c(F)c2)ccn1 122663719 VHEFHXYVNCHQIP-UHFFFAOYSA-N 231.226 2.709 0 50 BFAA O=[PH](OCC(F)(F)F)OCC(F)(F)F 150341429 NYQKUVUXMIHXEA-UHFFFAOYSA-N 246.043 2.534 0 50 BFAA Cc1cnc(CNCc2cccc3[nH]ccc23)o1 231787926 JICYMXZUEXTVCU-UHFFFAOYSA-N 241.294 2.754 0 50 BFAA CC(C)=CC(=O)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12 239869271 CXYGHHKYZADZHP-IKOXMDCHSA-N 233.355 2.894 0 50 BFAA CCCC[C@H](CC)[C@H](O)[C@@H](C)[C@H](C)O 253611612 LJGRJTMTDBCJEG-FIQHERPVSA-N 202.338 2.581 0 50 BFAA in-vitro CCCCN(Cc1ccccc1)Cc1ncon1 299791383 DZURJDHKYVKIGX-UHFFFAOYSA-N 245.326 2.872 0 50 BFAA CC[C@@H](C)C(=O)N1Cc2cccc(F)c2C1 335129920 HUCKFSZLZZGYJY-SECBINFHSA-N 221.275 2.714 0 50 BFAA CCc1nc(-c2cc(C)ccc2C)nn1C 426746079 KMIWFKYLDIDXGA-UHFFFAOYSA-N 215.300 2.661 0 50 BFAA CCCCCOCC(=O)N(C)c1ccsc1 585127133 QWIMGLNAOJCPMK-UHFFFAOYSA-N 241.356 2.918 0 50 BFAA Cc1ccc2n[nH]cc2c1[C@H]1CCCCN1 757212139 MDSWSHGIXXFOOY-GFCCVEGCSA-N 215.300 2.686 0 50 BFAA CCSC[C@@H](C)NCc1nc(CC)cs1 823421471 MOMOUHHQJGNTQH-SECBINFHSA-N 244.429 2.937 0 50 BFAA CN1CC[C@@H](Cn2ccnc2-c2ccccc2)C1 1875250942 FDGKPRHRIVSLCZ-CYBMUJFWSA-N 241.338 2.502 0 50 BFAA C[C@@H](O)c1ccccc1Br 389511 DZLZSFZSPIUINR-ZCFIWIBFSA-N 201.063 2.502 0 50 BFAA in-vitro COc1ccc(NC(=O)N2CCC[C@@H](C)C2)cc1 398419 IXNHTIQNLQFRDQ-LLVKDONJSA-N 248.326 2.959 0 50 BFAA O=C(Cc1ccc(F)cc1)NCc1ccccc1 1188915 LXHALSDXZHCCJX-UHFFFAOYSA-N 243.281 2.685 0 50 BFAA CCOc1nc(C(Cl)(Cl)Cl)ns1 1605809 KQTVWCSONPJJPE-UHFFFAOYSA-N 247.534 2.764 0 50 BFAA in-vitro CCOc1ccc([C@H](C)N)cc1OCC 2994572 OXUSXEBIIDKQFW-VIFPVBQESA-N 209.289 2.504 0 50 BFAA in-vitro COc1ccc([C@H](C)NC(=O)c2ccco2)cc1 4656429 BTISTMQWAMMYFV-JTQLQIEISA-N 245.278 2.779 0 50 BFAA CCOC(=O)N[C@H](C)c1ccc(OC)cc1 6698657 KKLPTNTZNWNSPF-SECBINFHSA-N 223.272 2.502 0 50 BFAA CCc1c(C)nc2ccc(C(=O)O)cc2c1O 8740410 IXTBXFWXCNAUQO-UHFFFAOYSA-N 231.251 2.509 0 50 BFAA biogenic Cc1n[nH]c(C)c1CCc1ccc([C@H](C)O)cc1 77458439 MWKYLBVZGBBQOD-LBPRGKRZSA-N 244.338 2.865 0 50 BFAA CCN(CC)CCOc1ccc(C)cc1OC 95918025 GOYHVSGIFUMGDB-UHFFFAOYSA-N 237.343 2.724 0 50 BFAA C[C@H]1CCCN(C[C@@H](O)c2ccc(F)cc2)C1 229754502 OJOCGLWPIUJXJR-SMDDNHRTSA-N 237.318 2.591 0 50 BFAA CC(C)(C)NC(=O)c1ccc2c(c1)OC(C)(C)C2 252501546 UHESMEHNRMPNHG-UHFFFAOYSA-N 247.338 2.928 0 50 BFAA CO[C@@H]1CCC=CCCC=CCC[C@H]1O 254566847 NZJRBFVCZFRVNJ-CHWSQXEVSA-N 210.317 2.829 0 50 BFAA OC[C@@H]1CCC[C@H](Nc2ccc(Cl)cn2)C1 304560215 GQJWOXOVCDADMY-KOLCDFICSA-N 240.734 2.698 0 50 BFAA Cc1cscc1CNC(=O)[C@H]1CC1(C)C 336057602 JOQTVYCMWZNOHO-SNVBAGLBSA-N 223.341 2.719 0 50 BFAA Cc1ccc(C(=O)N2CCCC[C@H]2C)c(C)n1 336113879 WPFFOPVCWATZAI-LLVKDONJSA-N 232.327 2.713 0 50 BFAA COc1ccc(F)cc1-c1ccc(C)nc1N 697117404 YHDPASTUNMMASD-UHFFFAOYSA-N 232.258 2.787 0 50 BFAA C=CC(=O)N1CCC[C@@H]1c1ccc(OC)c(F)c1 863971436 TUAAYBWBFLUPRK-GFCCVEGCSA-N 249.285 2.684 0 50 BFAA Cc1nc2cc(-c3cc(N)ncn3)ccc2s1 1243935753 WMGBRMLSEIICGG-UHFFFAOYSA-N 242.307 2.644 0 50 BFAA Cc1ccncc1NC(=O)[C@H]1CCC12CCC2 1875312206 XFQCOLJIUXXMKV-LLVKDONJSA-N 230.311 2.909 0 50 BFAA Cn1cncc1-c1ocnc1Cc1ccccc1 2356141964 XUHXRSPBOLGPRA-UHFFFAOYSA-N 239.278 2.666 0 50 BFAA Cc1cc(Cl)nc(-c2ccccn2)n1 167497 QXTIZJZQBKJJCB-UHFFFAOYSA-N 205.648 2.500 0 50 BFAA in-vitro CC(C)(C)Cc1nc(-c2ccccn2)no1 199385 IGMKAIXLJHWGTI-UHFFFAOYSA-N 217.272 2.720 0 50 BFAA CC[C@@H](Oc1ccc(Cl)cc1C)C(=O)O 334854 GVMOTDXEGIBMCK-SECBINFHSA-N 228.675 2.890 0 50 BFAA O=C(Nc1ccncc1)C1CCCCC1 409052 ZRCHIRBBTSZVMC-UHFFFAOYSA-N 204.273 2.600 0 50 BFAA CCC(=O)NC(=S)Nc1cccc(Cl)c1 455701 JBAOCZQRDJEREM-UHFFFAOYSA-N 242.731 2.563 0 50 BFAA O=C(O)CSc1ccccc1Cl 1603683 DRTNNSJQBCUQML-UHFFFAOYSA-N 202.662 2.517 0 50 BFAA in-vitro CCC[C@H](C)NC(=O)CCc1ccccc1 2191075 BSXVMJIPVITBTM-LBPRGKRZSA-N 219.328 2.924 0 50 BFAA biogenic C[C@H]1C[C@H]1C(=O)Nc1nc2c(s1)CCCC2 3294710 VJWYILXDIGYAIS-JGVFFNPUSA-N 236.340 2.616 0 50 BFAA Cc1ccccc1CC(=O)NC1CCCC1 6727227 NCXJEFOMDCSWEY-UHFFFAOYSA-N 217.312 2.596 0 50 BFAA O=C1NCCN1c1ccc(Cl)c(Cl)c1 8729975 LNOJOHVKUUWHQW-UHFFFAOYSA-N 231.082 2.523 0 50 BFAA Cc1ccc(C)c([C@@H](C)NC(=O)C2CC2)c1 12976138 DKEKGYLJRSPURB-LLVKDONJSA-N 217.312 2.891 0 50 BFAA CC(C)=CCC[C@@H](C)CN(C)CCN(C)C 19634749 OISBXFIUDRSBGK-CQSZACIVSA-N 226.408 2.862 0 50 BFAA Cc1cccc(O[C@H](C)C(=O)NC(C)(C)C)c1C 44900313 MBZFSLCWEFYITN-GFCCVEGCSA-N 249.354 2.985 0 50 BFAA c1cc(-n2cnnc2)ccc1N1CCCCCC1 65502321 FGRWLWLZFFPKTR-UHFFFAOYSA-N 242.326 2.648 0 50 BFAA C[C@@H]1NCCc2ccc(Br)cc21 70821255 XACRZPKKWVBSHB-ZETCQYMHSA-N 226.117 2.656 0 50 BFAA CCOC(OCC)c1cc(Cl)nc(C)n1 96028579 LPCWQBKARLMDFK-UHFFFAOYSA-N 230.695 2.510 0 50 BFAA in-vitro CC(C)c1noc(CN(C)C[C@@H]2CC=CCC2)n1 97637935 FESSOCNSLJVUSR-GFCCVEGCSA-N 249.358 2.981 0 50 BFAA Cc1cc(O)n2nc(-c3cccc(F)c3)cc2n1 100631532 FUEPDXNJIZJKGG-UHFFFAOYSA-N 243.241 2.549 0 50 BFAA O=C(O)[C@@H](Cc1cccnc1)C1CCCC1 160976075 QAANXPFCODQHLD-LBPRGKRZSA-N 219.284 2.515 0 50 BFAA Nc1c(F)ccc(Br)c1Cl 169797835 ASLOEQLGHNXAHJ-UHFFFAOYSA-N 224.460 2.824 0 50 BFAA Cc1cccc(NC[C@@H](CO)c2ccccc2)n1 184575867 OGXRFLUTFYYUNT-AWEZNQCLSA-N 242.322 2.578 0 50 BFAA Cc1oncc1-c1csc(-c2cnn(C)c2)n1 190879946 KNTMSCJHQOBWBK-UHFFFAOYSA-N 246.295 2.507 0 50 BFAA COc1ccc2c(c1)[C@H]1[C@@H]3[C@@H]2[C@H]2C=C[C@H]2[C@H]31 247952956 MSMIFVCPETXJCQ-XAMXSGMOSA-N 210.276 2.938 0 50 BFAA CCN(Cc1ccncc1C)C[C@H]1CCCCO1 252485474 GWEVARWNBXVYEP-OAHLLOKOSA-N 248.370 2.781 0 50 BFAA CC[C@]1(C)CCN(c2ncnc3[nH]ccc23)C1 335338744 PFPCRCQMWMUWRR-CYBMUJFWSA-N 230.315 2.584 0 50 BFAA O=C1OC(c2cccs2)=NC1=C(Cl)Cl 1772717722 BXUAGCRUXSFTSF-UHFFFAOYSA-N 248.090 2.698 0 50 BFAA Fc1cccc(-c2cnc3cnccn23)c1F 2100539707 VEROCHLNHMKTIK-UHFFFAOYSA-N 231.205 2.675 0 50 BFAA COc1ccc(-c2cn3c(n2)SCC3)cc1 124104 WJVODFDKCHPAJF-UHFFFAOYSA-N 232.308 2.664 0 50 BFAA Cc1[nH]c2c(Cl)cccc2c1CCN 140719 ONHHERXYVWROCY-UHFFFAOYSA-N 208.692 2.631 0 50 BFAA in-vitro Cc1[nH]c2ccccc2c(=O)c1Br 459950 RPUCDXLAFUWPHF-UHFFFAOYSA-N 238.084 2.599 0 50 BFAA O=C(O)CCCCC(=O)c1ccccc1 1712905 AIEMSTCGCMIJTI-UHFFFAOYSA-N 206.241 2.514 0 50 BFAA in-vitro COC(=O)c1cc(Cl)c(OC)c(Cl)c1 2014819 SHPKLAWJDWHSCJ-UHFFFAOYSA-N 235.066 2.789 0 50 BFAA biogenic,in-vitro CCCOC(=O)c1ccc(NC(=O)CCC)cc1 2120992 WEYWGGNRTLTEHX-UHFFFAOYSA-N 249.310 2.992 0 50 BFAA Cc1cccc(OCCCn2ccnc2)c1C 2493408 QSMZJLQATWXEBA-UHFFFAOYSA-N 230.311 2.969 0 50 BFAA Cc1cc(C(=O)Nc2ccccc2Cl)no1 3937605 JMXWUJNZDUDGIE-UHFFFAOYSA-N 236.658 2.889 0 50 BFAA C[C@@H](Oc1c(Cl)cccc1Cl)C(=O)O 6007865 JTSKVVDMNKQPAO-RXMQYKEDSA-N 235.066 2.845 0 50 BFAA in-vitro CC(C)c1ccc(CNC(C)(C)CO)cc1 6697810 SUQDTCXNONQBKD-UHFFFAOYSA-N 221.344 2.671 0 50 BFAA C[C@@H]1CCCc2sc3ncnc(N)c3c21 12404913 HHDQALFTQXKWNB-ZCFIWIBFSA-N 219.313 2.713 0 50 BFAA in-vitro O=C(O)Cc1ccc(Cl)cc1Br 14989263 BWAQWLHENYXBOQ-UHFFFAOYSA-N 249.491 2.730 0 50 BFAA in-vitro CN(C)Cc1ccccc1OC(F)(F)F 16125745 NFYYZWZENHFMOJ-UHFFFAOYSA-N 219.206 2.647 0 50 BFAA in-vitro CSc1nccc(Oc2ccccc2)n1 17117826 LEXAOEXBTWFQAO-UHFFFAOYSA-N 218.281 2.991 0 50 BFAA COC(=O)c1ccc(Br)c(F)c1C 79387258 VNAZRCAGSCSSSD-UHFFFAOYSA-N 247.063 2.683 0 50 BFAA Cc1cc(Br)c(F)c(C(=O)O)c1 82299265 JFAQBRSYTNDGBL-UHFFFAOYSA-N 233.036 2.595 0 50 BFAA Clc1cccc2c1CC[C@H]2N1CCOCC1 130519089 ZAWKXFOZAFLNTG-CYBMUJFWSA-N 237.730 2.660 0 50 BFAA CC[C@@H](C)[C@@H](C)Nc1ccc2c(c1)C(=O)NC2 170592620 YIQWXTNPQVPNDK-NXEZZACHSA-N 232.327 2.777 0 50 BFAA Cc1csc([C@@H](C)NCCOCC(C)C)n1 232735012 PMQYTYIEWSGQDH-LLVKDONJSA-N 242.388 2.775 0 50 BFAA N[C@@H](c1ccncc1C(F)(F)F)C1CC1 238666891 VIIFJYRTYVHEHL-SECBINFHSA-N 216.206 2.510 0 50 BFAA Fc1nc(Br)ccc1C(F)F 238694707 YDCRDQJFKALGDK-UHFFFAOYSA-N 225.995 2.921 0 50 BFAA Nc1noc2c(Cl)cc(Cl)cc12 238708373 UHKAIUSVDOTDNY-UHFFFAOYSA-N 203.028 2.717 0 50 BFAA Cn1c2c(c(=N)c3ccccc31)CCCC2 365179521 XZCXCNCLCXZILU-UHFFFAOYSA-N 212.296 2.537 0 50 BFAA CCCOc1ccc(-c2c[nH]nc2C)cc1CO 534664249 QLZRWOZZGLXQMH-UHFFFAOYSA-N 246.310 2.666 0 50 BFAA CC1(C)CCc2nnc(CCc3ccco3)n2C1 1616039052 UWAQYIFMBYAEBN-UHFFFAOYSA-N 245.326 2.629 0 50 BFAA Cc1ccc(C(=O)Nc2ccccc2O)cc1 127846 MIDBXGKRBJJUCE-UHFFFAOYSA-N 227.263 2.953 0 50 BFAA CCC(=O)Nc1cc(Cl)ccc1OC 316175 HAEVOHOWBAUKGW-UHFFFAOYSA-N 213.664 2.697 0 50 BFAA O=C1c2ccccc2[C@H]2C(=O)c3ccccc3[C@@H]12 393507 IJSLGPMHLYJZSU-ZIAGYGMSSA-N 234.254 2.947 0 50 BFAA Cc1ccc(C(=O)Nc2cccc(O)c2)o1 446466 RUCCQIHGQRRLHW-UHFFFAOYSA-N 217.224 2.546 0 50 BFAA in-vitro c1cc(CNC2C3CC4CC(C3)CC2C4)ccn1 516923 RMZMZFDCMVNORU-UHFFFAOYSA-N 242.366 2.996 0 50 BFAA O=C(NCc1cccc(Cl)c1)c1cccnc1 1052355 MMZFFPSIIQHAJA-UHFFFAOYSA-N 246.697 2.665 0 50 BFAA CC(C)[C@@H]1NC(S)=NC2=C1CCCC2 1321944 HEGPWLIGDINTCM-JTQLQIEISA-N 210.346 2.728 0 50 BFAA in-vitro O=C(O)Cc1cccc(C(=O)c2ccccc2)c1 2015756 ALDSXDRDRWDASQ-UHFFFAOYSA-N 240.258 2.545 0 50 BFAA in-vitro CCOc1ccc(/C=C/C(=O)O)cc1OCC 2578530 GFKHDVAIQPNASW-SOFGYWHQSA-N 236.267 2.582 0 50 BFAA in-vitro CC(C)(C)[C@H]1CCc2nc(N)sc2C1 2584869 QXRJJJPFOHTPIG-ZETCQYMHSA-N 210.346 2.876 0 50 BFAA in-vitro COc1cccc([C@H](O)c2ccccc2)c1 4072012 TWFPWTCZBHLWHQ-CQSZACIVSA-N 214.264 2.777 0 50 BFAA O[C@H]1CCCCc2ccc(cc2)CCCC[C@H]1O 4795133 JXIHXAVCJYWKDJ-IYBDPMFKSA-N 248.366 2.848 0 50 BFAA Cc1n[nH]c2c1C(=O)C[C@H](c1ccccc1)C2 5322400 YZTNVMBGBSOLFL-LLVKDONJSA-N 226.279 2.631 0 50 BFAA COc1ccc(Cl)c2sc(N)nc12 11919940 CLFYPDRIWLKZOS-UHFFFAOYSA-N 214.677 2.541 0 50 BFAA in-vitro Cc1ccc(C)c(-c2nc(CC(C)(C)O)no2)c1 20388178 FHNONXANPIURRE-UHFFFAOYSA-N 246.310 2.667 0 50 BFAA Nc1cc(Cl)c(F)cc1Br 21300420 QNKQNJJCNWUOHC-UHFFFAOYSA-N 224.460 2.824 0 50 BFAA in-vitro COc1c(F)ccc(F)c1C(=O)C(F)(F)F 40571949 FRBFNLMSUOLCHC-UHFFFAOYSA-N 240.127 2.718 0 50 BFAA Cc1cccc(-c2cccnc2C(=O)O)c1 41226826 GQKWZGHVZHLTFR-UHFFFAOYSA-N 213.236 2.755 0 50 BFAA Cc1ccc(CN)c(OCc2ccco2)c1 51580307 ZIQIKSKGGGAPGC-UHFFFAOYSA-N 217.268 2.626 0 50 BFAA in-vitro CCc1cc(-c2cc[nH]n2)ccc1NC(C)=O 67675175 UVZBUNPUDGSTCO-UHFFFAOYSA-N 229.283 2.598 0 50 BFAA Cc1nc(OCc2ccccc2)ccc1C(=O)O 72224459 ZOBDRGGYULBDGX-UHFFFAOYSA-N 243.262 2.667 0 50 BFAA in-vitro Cc1cc(N)cc(Br)c1C 78921628 HSBYBGRURGCYRB-UHFFFAOYSA-N 200.079 2.648 0 50 BFAA CCCCCC(C)(C)CNC(=O)NC 86988399 FHVYXBUBEUNSLV-UHFFFAOYSA-N 200.326 2.522 0 50 BFAA Cc1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[S@](=O)N2 102667758 SNZUAMJDPKNTCJ-RGCMHXFCSA-N 247.363 2.966 0 50 BFAA Clc1nc(N2CCCCC2)c2cc[nH]c2n1 115045494 WTEVJXHVPLGUTA-UHFFFAOYSA-N 236.706 2.602 0 50 BFAA Cc1noc(C)c1-c1cccc(C=O)c1 224464179 XJXVEYLKVSDPHZ-UHFFFAOYSA-N 201.225 2.771 0 50 BFAA CC[C@H](C)NC(=O)N[C@H]1CCCC[C@H]1C 239165347 NZTAKZCQLDQXAZ-VWYCJHECSA-N 212.337 2.663 0 50 BFAA CCc1cc(-c2ccccc2C(=O)O)nc(C)n1 534667052 FFYYNQPTDDLLNM-UHFFFAOYSA-N 242.278 2.713 0 50 BFAA CNc1ccnc(NC[C@H]2CC23CCCCC3)n1 824084023 NQQIPWXWVVYDSN-LLVKDONJSA-N 246.358 2.901 0 50 BFAA Cc1nc(N2C[C@@H]3C[C@@]3(C)C2)c2sccc2n1 1800409599 ITDDCTBSZCPYDZ-ZANVPECISA-N 245.351 2.846 0 50 BFAA COc1ccc([C@@H](O)c2ccccc2)cc1 156186 BEGZWXVLBIZFKQ-AWEZNQCLSA-N 214.264 2.777 0 50 BFAA in-vitro OC[C@@H]1CCCN(Cc2cccc(Cl)c2)C1 209953 BKJRNNAFSPKFLS-GFCCVEGCSA-N 239.746 2.544 0 50 BFAA Cc1ccnc(NC(=O)c2ccccc2)c1 236171 MZJNCQDFJNTQCK-UHFFFAOYSA-N 212.252 2.642 0 50 BFAA C[C@@](O)(c1ccncc1)c1cc2ccccc2[nH]1 336803 SLUGGHNQQAQXEJ-OAHLLOKOSA-N 238.290 2.819 0 50 BFAA c1ccc(-c2nnc3n2CCCCC3)cc1 350856 YNCFPURBKVPYQF-UHFFFAOYSA-N 213.284 2.672 0 50 BFAA CCn1cc(C(=O)Nc2cccc(Cl)c2)cn1 370923 UMZQRPVGZBJCLB-UHFFFAOYSA-N 249.701 2.809 0 50 BFAA O=Cc1c(Cl)c2cc(Cl)ccc2oc1=O 1081544 OKMFWQALBSVSDG-UHFFFAOYSA-N 243.045 2.912 0 50 BFAA CN(C)C(=S)c1nc2ccccc2s1 1139529 MFEKLOFGAADLRP-UHFFFAOYSA-N 222.338 2.533 0 50 BFAA CN(C)c1ccc(C(=O)O)c2ccccc12 2169179 LZQKNRRVTOJUHQ-UHFFFAOYSA-N 215.252 2.604 0 50 BFAA CCCCn1c(CCCO)nc2ccccc21 2279930 RGWOPEVAGWCRTP-UHFFFAOYSA-N 232.327 2.761 0 50 BFAA COc1ccccc1-n1nc(C(C)(C)C)cc1N 2527279 KPZNCKLMOFGREF-UHFFFAOYSA-N 245.326 2.761 0 50 BFAA Cc1noc(C)c1COc1ccccc1C(=O)O 2616126 YINROPPUXHDJPB-UHFFFAOYSA-N 247.250 2.569 0 50 BFAA in-vitro CC12CC3(C)CC(C)(C1)CC(C(N)=O)(C2)C3 3898007 QOKWEJPAMBATIO-UHFFFAOYSA-N 221.344 2.858 0 50 BFAA CC[C@H](NC(=O)[C@@H]1CCCO1)c1ccc(C)cc1 13328183 BTNVBFONMFJOEG-KBPBESRZSA-N 247.338 2.741 0 50 BFAA CCCN(CCC)C(=O)N[C@@H](C)CC 13745901 VYVSMUCIHZTSJP-JTQLQIEISA-N 200.326 2.617 0 50 BFAA Cc1c2n(c3ccccc13)CN(C)[C@H](C)C2 22016403 JQEUCWFQSSDQFQ-SNVBAGLBSA-N 214.312 2.784 0 50 BFAA COc1cnc(Cl)c(Br)c1 38537026 OHABUHZFENICAZ-UHFFFAOYSA-N 222.469 2.506 0 50 BFAA in-vitro c1ccc(-c2nc[nH]c2-c2cncnc2)cc1 65396005 SRAZWDSVZZCXKU-UHFFFAOYSA-N 222.251 2.534 0 50 BFAA O=C(CCc1ccccc1)N[C@@H]1C[C@H]2CC[C@H]1C2 101754578 CYYPRIKUGOOUCN-SOUVJXGZSA-N 243.350 2.924 0 50 BFAA OCC1(CNc2ncccc2Cl)CCCC1 168710794 XJJBHIIJQQMPLO-UHFFFAOYSA-N 240.734 2.700 0 50 BFAA C[C@@H]1CN(CCC(=O)O)CC[C@H]1c1ccccc1 253430143 WZLWUSHJUJQOJR-TZMCWYRMSA-N 247.338 2.587 0 50 BFAA O=C(Nc1ccccc1)c1ncoc1C1CC1 334408564 RXVMNKHLIHSDSS-UHFFFAOYSA-N 228.251 2.804 0 50 BFAA c1ccc(CC2CN(Cc3ccccn3)C2)cc1 678315019 KTCCYUGSOPSEMB-UHFFFAOYSA-N 238.334 2.756 0 50 BFAA C[C@@H]1CCC(=O)C[C@H]1Oc1ccccc1 725362986 WKIIXDFFDFBOQZ-ZWNOBZJWSA-N 204.269 2.823 0 50 BFAA COC(=O)c1cc2c(nc1Cl)CC[C@H](C)C2 1775971254 YLWOWKNQVHYTMK-ZETCQYMHSA-N 239.702 2.646 0 50 BFAA CCCCCCOC(=O)[C@H]1C[N@]1C(C)(C)C 1857666395 TZEBWZNLIOCPDF-RISCZKNCSA-N 227.348 2.593 0 50 BFAA C[C@@H]1CN(CC2CCC=CCC2)CCC1=O 1875271456 XSQRMWSRRLYHOT-GFCCVEGCSA-N 221.344 2.644 0 50 BFAA COc1c2ccoc2nc2c(OC)cccc12 199415 KFBCTNNQFGONHB-UHFFFAOYSA-N 229.235 2.998 0 50 BFAA endogenous,in-man OCCN(Cc1ccccc1)Cc1ccccc1 261867 WTTWSMJHJFNCQB-UHFFFAOYSA-N 241.334 2.681 0 50 BFAA CSc1nc(-c2ccccc2)ccc1C(N)=O 2861762 FXQWOXNFCWJJTL-UHFFFAOYSA-N 244.319 2.569 0 50 BFAA Nc1cc(OCc2ccccc2)ccc1F 5175552 QWJMNTICFWQYMN-UHFFFAOYSA-N 217.243 2.987 0 50 BFAA in-vitro O[C@]12CCCC[C@@H]1[C@@H](c1ccccc1F)NCC2 5368524 KQIPCHXUWWIJAV-YUELXQCFSA-N 249.329 2.781 0 50 BFAA COc1cccc([C@H](C)NC(=O)[C@H]2C[C@H]2C)c1 5696398 CXLVKRUTZUTCPU-NRUUGDAUSA-N 233.311 2.528 0 50 BFAA CC(C)(C)C(=O)Nc1cncc(Cl)c1 6643315 TXYASGLTJVGMHT-UHFFFAOYSA-N 212.680 2.720 0 50 BFAA in-vitro CCNCCOc1ccc(Cl)c(Cl)c1 6701646 RWMNJLIPRDKKJX-UHFFFAOYSA-N 234.126 2.982 0 50 BFAA O=C(O)c1ccc(C(=O)Nc2ccccc2)cc1 8727752 LNCHBBZGCITQPQ-UHFFFAOYSA-N 241.246 2.637 0 50 BFAA CC(=O)CSc1ccc2ccccc2n1 11612782 UZFZKFUGCZFXES-UHFFFAOYSA-N 217.293 2.916 0 50 BFAA CC(C)Oc1ccc(C2CC(=O)CC(=O)C2)cc1 20375166 KRSIOMKVWPQPSX-UHFFFAOYSA-N 246.306 2.880 0 50 BFAA O=C(O)c1cccnc1Oc1cccc(F)c1 22166083 KDTHPSLXPTVRJM-UHFFFAOYSA-N 233.198 2.711 0 50 BFAA C[C@@H]1CN(Cc2cc(F)ccc2F)C[C@@H](C)O1 23280373 QKXZECVENBQXPC-NXEZZACHSA-N 241.281 2.574 0 50 BFAA CC(=O)c1cc(Cl)c(Cl)cc1O 34168446 LZDZGKFMOJUAKB-UHFFFAOYSA-N 205.040 2.902 0 50 BFAA in-vitro CCOC(=O)CCc1cccc(Cl)c1 34497547 KQQZLHYCICBIIE-UHFFFAOYSA-N 212.676 2.836 0 50 BFAA COc1cc2nc(C)nc(Cl)c2cc1OC 38540019 VHTOWTBCVHATEY-UHFFFAOYSA-N 238.674 2.609 0 50 BFAA Cc1ccc(F)c(O)c1Br 65337297 WPEISQLNDDJAGD-UHFFFAOYSA-N 205.026 2.602 0 50 BFAA in-vitro Cc1onc(-c2ccccc2)c1[C@@H](C)O 71789946 DAQOOSLMUWKCQM-MRVPVSSYSA-N 203.241 2.703 0 50 BFAA in-vitro Nc1cc(Br)cc2ncccc12 95093317 PQSQRUCHYXVDQO-UHFFFAOYSA-N 223.073 2.580 0 50 BFAA CC[C@H](NC[C@@H](C)O)c1cccc(Cl)c1F 135041816 MYMBVQKDJAGPLB-KCJUWKMLSA-N 245.725 2.901 0 50 BFAA O=C(O)C1(CNc2ccnc3ccccc23)CC1 138959376 WVTZAHVTDYPEMN-UHFFFAOYSA-N 242.278 2.512 0 50 BFAA CC(C)c1cccc(-c2cc(N)n[nH]2)c1 147678092 JSRYXQFNMSUDJS-UHFFFAOYSA-N 201.273 2.782 0 50 BFAA CCOC(=O)c1ccc(C(C)(C)C)cc1O 214466614 FCNXDKRCIZEIIT-UHFFFAOYSA-N 222.284 2.866 0 50 BFAA Cc1ccc(CC(=O)N[C@H]2C[C@H]3CC[C@H]2C3)cc1 225252471 FTSLGXCELCPDCE-KKUMJFAQSA-N 243.350 2.842 0 50 BFAA CCN1CCC(N[C@@H]2CCC[C@H](C)[C@H]2C)CC1 249700857 YCHOAJGUGVCVSR-GZBFAFLISA-N 238.419 2.885 0 50 BFAA O=C(NCc1cccc(C(F)F)c1)C(F)F 408514885 GLPXCHIJDYCVOO-UHFFFAOYSA-N 235.180 2.506 0 50 BFAA Cc1ccc(-c2c(C)nn(C)c2C(=O)O)cc1F 534666161 PGGGTGHXLGMGAJ-UHFFFAOYSA-N 248.257 2.541 0 50 BFAA Cc1nc([C@H](C)N(C)c2ccsc2)no1 585116117 HPBMMWHOFNPMJB-ZETCQYMHSA-N 223.301 2.637 0 50 BFAA CC/C=C\CCCN1CC[C@@H](C(C)(C)O)C1 822293512 FMKUTMRWFIWWCE-CFHLNLSMSA-N 225.376 2.826 0 50 BFAA Cc1ccc(-c2nccn2CCN2CCCC2)o1 1875248693 HTKHRDRMBUVSPC-UHFFFAOYSA-N 245.326 2.547 0 50 BFAA Cc1nc(-c2ccccc2)sc1C=O 159072 QRPSQJOXOZJEHJ-UHFFFAOYSA-N 203.266 2.931 0 50 BFAA CCOc1ccc(C(=O)Nc2ccncc2)cc1 311221 LFJUVPBDHBBXKT-UHFFFAOYSA-N 242.278 2.733 0 50 BFAA CNC(=O)Nc1c(Cl)cccc1Cl 397262 GZGMPIOPYIEASI-UHFFFAOYSA-N 219.071 2.745 0 50 BFAA O=Cc1ccc(SCc2ccco2)o1 615734 BFJMLAFQZYIMHX-UHFFFAOYSA-N 208.238 2.977 0 50 BFAA CCOCCCN[C@H](C)Cc1ccccc1F 2497435 URRJBMKWYBSZNB-GFCCVEGCSA-N 239.334 2.773 0 50 BFAA Cc1cc(C)c(C)c(OCCN(C)C)c1 4907460 NASNUMMIBNWADM-UHFFFAOYSA-N 207.317 2.552 0 50 BFAA Cc1ccc(C(=O)Nc2ccccn2)cc1 12410444 BSVQSENXORJKSQ-UHFFFAOYSA-N 212.252 2.642 0 50 BFAA Cc1ccc(C(=O)N2CCCCC2)s1 16603118 MJFPFOWOSXUGPT-UHFFFAOYSA-N 209.314 2.683 0 50 BFAA Cc1ccc(-c2ccc(N)c(C(=O)O)c2)cc1 16946171 SURZAQVAAPZGFF-UHFFFAOYSA-N 227.263 2.942 0 50 BFAA Cc1ccc(NC(=O)OC(C)(C)C)cn1 39093453 GLNZGGFNQUSLIJ-UHFFFAOYSA-N 208.261 2.737 0 50 BFAA in-vitro Cc1cc2nc(C)c3c(n2n1)CC(C)(C)CC3=O 65362868 PYUIGHAZKVYRRR-UHFFFAOYSA-N 243.310 2.501 0 50 BFAA CN(C)C(=O)CCCSCc1ccccc1 191484485 IOUVMFVMOSJNAX-UHFFFAOYSA-N 237.368 2.788 0 50 BFAA CO[C@H]1CCC=CCCC=CCC[C@@H]1O 254566854 NZJRBFVCZFRVNJ-STQMWFEESA-N 210.317 2.829 0 50 BFAA Cc1ccccc1C(=O)N1CCC=C(F)C1 272164500 XPTVEUOOZJDPOQ-UHFFFAOYSA-N 219.259 2.694 0 50 BFAA OCc1cc(Cl)cc(Br)c1F 307187723 PUVCPOIRUHRROB-UHFFFAOYSA-N 239.471 2.734 0 50 BFAA Cc1ccccc1NC(=O)c1cc(F)c[nH]1 335068759 MUIYOJFQPWGAQH-UHFFFAOYSA-N 218.231 2.715 0 50 BFAA c1c[nH]c(CN2CCC3(CCCCCC3)C2)n1 371863979 UFDWQKRMBKQTEY-UHFFFAOYSA-N 233.359 2.956 0 50 BFAA C=CC(=O)N1CC(Cc2ccccc2Cl)C1 888102258 RHJMUVLBEJUQOF-UHFFFAOYSA-N 235.714 2.527 0 50 BFAA C=CC(=O)N1CCC[C@H]1c1cccc(C)c1 952875946 JEPNRVHEAWSHNW-ZDUSSCGKSA-N 215.296 2.845 0 50 BFAA O=C(NC[C@@H]1C[C@H]1C1CCC1)NC1CC2(CC2)C1 2325758229 OLQOAXOFNJPJQU-AAEUAGOBSA-N 248.370 2.664 0 50 BFAA CC(C)N(Cc1ccc(C(=O)O)o1)C(C)C 186086 ICXXGMOHARFANT-UHFFFAOYSA-N 225.288 2.597 0 50 BFAA in-vitro O=C(O)c1cc(Cl)nc2ccccc12 275761 ICNCOMYUODLTAI-UHFFFAOYSA-N 207.616 2.586 0 50 BFAA Cc1cc(C)nc(Nc2nc3ccccc3[nH]2)n1 394190 IHAVBFULRWYABW-UHFFFAOYSA-N 239.282 2.713 0 50 BFAA CC[C@H](C)NC(=S)Nc1cccc(F)c1 473201 KYUAXPGDBKAXOD-QMMMGPOBSA-N 226.320 2.911 0 50 BFAA Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCO2)c(C)c1 1002256 SYHZQNBMJCXCSO-JSGCOSHPSA-N 247.338 2.660 0 50 BFAA CCOc1ccc(OCC)c(C(C)=O)c1 2526533 IFLFTVAARGTQDY-UHFFFAOYSA-N 208.257 2.687 0 50 BFAA COc1ccc(-c2ncccc2C=O)cc1 3883632 WMJFIXDFODEDNR-UHFFFAOYSA-N 213.236 2.570 0 50 BFAA Cc1ccc2nc(C)c(C(=O)O)cc2c1 3886858 HCAIPPMINDHAHV-UHFFFAOYSA-N 201.225 2.550 0 50 BFAA in-vitro CC1(C)CC[C@H](CCCC(=O)O)C(=O)C1 4797077 LNJXELCPVZIKTE-VIFPVBQESA-N 212.289 2.637 0 50 BFAA Cc1cccc(NC(=O)N2CCCC2)c1 4840665 GBAXIZXGDZHLTH-UHFFFAOYSA-N 204.273 2.623 0 50 BFAA in-vitro C[C@@H](CN1CCCCC1)c1ccccn1 12383492 YYZLFDXOKOYCIU-LBPRGKRZSA-N 204.317 2.671 0 50 BFAA Cc1ccc(C)c([C@H](C)NC(=O)C2CC2)c1 12976140 DKEKGYLJRSPURB-NSHDSACASA-N 217.312 2.891 0 50 BFAA CCCCC(=O)c1ccc(C(=O)OC)cc1 21994217 LSDGSJYZSOPREL-UHFFFAOYSA-N 220.268 2.846 0 50 BFAA CC[C@H](C)NC(=O)Cc1cccc(Cl)c1 67785621 WMBFQCVJRJCEAX-VIFPVBQESA-N 225.719 2.797 0 50 BFAA CCOc1ccc(Br)cc1OC 74934313 BGECZFRMXAHTGH-UHFFFAOYSA-N 231.089 2.856 0 50 BFAA in-vitro Nc1ccc(C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)cc1 100516869 GJMBDRACCBGGMG-CPWXYTRJSA-N 243.350 2.852 0 50 BFAA C[C@@H]1[C@]23CC=CC[C@@]2(CCCC3)CS1(=O)=O 101036942 ZTXAGCGGJCSEOI-JHJVBQTASA-N 240.368 2.700 0 50 BFAA COc1ccccc1C(=O)N[C@H]1C[C@H]2CC[C@H]1C2 101474296 VNLRAFUIJPCGHP-GVXVVHGQSA-N 245.322 2.614 0 50 BFAA C[C@@H]1CC(C)(C)C[C@@H]1NC[C@@H]1CC[C@H](O)C1 193150026 UARBQQOSYIAMLY-NDBYEHHHSA-N 225.376 2.562 0 50 BFAA Cc1c(Br)ccc(F)c1C=O 215880074 XXNWYNYTRIRTOX-UHFFFAOYSA-N 217.037 2.709 0 50 BFAA O[N+]1=N[C@H]2CCCC[C@H]2N1OCc1ccccc1 225435001 MZCLJZKRZNXEFJ-QWHCGFSZSA-N 248.306 2.514 0 50 BFAA CC[C@H](O)CN1C[C@@]2(C)C[C@H]1CC(C)(C)C2 239433203 XIXPVYLUIZUNDK-DYEKYZERSA-N 225.376 2.658 0 50 BFAA C[C@H](CCO)NCC1(c2ccccc2)CCCC1 584891821 QUOCOPJUDBNRAP-CQSZACIVSA-N 247.382 2.859 0 50 BFAA O=C(O)c1cccnc1Sc1ccccc1 131924 MGIDOIDQQMOYTH-UHFFFAOYSA-N 231.276 2.931 0 50 BFAA O=C(CCCc1c[nH]c2ccccc12)NC1CC1 140690 NSGVLJNJAYXDID-UHFFFAOYSA-N 242.322 2.769 0 50 BFAA O=C(NC1CCCC1)[C@H]1C[C@H]1c1ccccc1 182985 WNIHXHZBQPHZTC-KBPBESRZSA-N 229.323 2.849 0 50 BFAA CCCc1oc(C(=O)O)cc1CN1CCCC1 528429 BEVFYPNHCDGTJQ-UHFFFAOYSA-N 237.299 2.526 0 50 BFAA CC(C)(C)OC(=O)N1CCc2cccc(C=O)c21 1394483 KUYIMEZLCAWOMI-UHFFFAOYSA-N 247.294 2.797 0 50 BFAA in-vitro FC(F)c1nnc2c(C(F)(F)F)cccn12 1406513 IXNLNZKUZJOGKO-UHFFFAOYSA-N 237.131 2.686 0 50 BFAA C[C@H](CCc1ccccc1)NCCCN(C)C 2498500 YDPFUXMBVCZVAG-CQSZACIVSA-N 234.387 2.549 0 50 BFAA CC(=O)Oc1ccc2ccccc2c1C=O 2565548 ZEYRSVAXRVITRM-UHFFFAOYSA-N 214.220 2.578 0 50 BFAA Cc1cc(OCCn2ccnc2)ccc1Cl 4385931 IEFARKCYRUQEDE-UHFFFAOYSA-N 236.702 2.924 0 50 BFAA C[C@H](CCN1CCC[C@H]1CO)c1ccccc1 5729974 ZWAOPSWRRKHRKN-HIFRSBDPSA-N 233.355 2.637 0 50 BFAA Clc1nc(N2CCCC2)c2ccccc2n1 11756095 RECJJAGHHWLXOZ-UHFFFAOYSA-N 233.702 2.883 0 50 BFAA Cc1cc2[nH]ncc2cc1Br 14985785 UTDBMGRTYFPTEC-UHFFFAOYSA-N 211.062 2.634 0 50 BFAA in-vitro Nc1nc2cc(Cl)cc(Cl)c2o1 52066075 NHDNAMKNESMSDH-UHFFFAOYSA-N 203.028 2.717 0 50 BFAA in-vitro CCC[C@H](O)CNCc1cccc(Cl)c1 123294930 NMQHZZNCBQBHTE-LBPRGKRZSA-N 227.735 2.591 0 50 BFAA CC[C@](C)(COCc1ccccc1)C(=O)O 141328698 QIZZVTODBDLUHE-CYBMUJFWSA-N 222.284 2.704 0 50 BFAA Cc1cc2cc(C(=O)O)c(Cl)cc2[nH]1 144799368 ZOKNNTHGXKIWSP-UHFFFAOYSA-N 209.632 2.828 0 50 BFAA O=C1CC(c2cccs2)=NN1c1ccccc1 148461930 FNJFGZAQQAFSIN-UHFFFAOYSA-N 242.303 2.889 0 50 BFAA c1cc(CN2CCC[C@H](CN3CCCC3)C2)co1 216433653 OSLPSHHGQAGTSN-CQSZACIVSA-N 248.370 2.587 0 50 BFAA C/C(=C\c1ccccc1)CN1CC[C@@]2(O)C[C@H]2C1 668599017 QRJIOYCFGKNXCG-FKZVYCBESA-N 243.350 2.547 0 50 BFAA Cc1cc(F)ccc1-c1cnn(CC(C)(C)O)c1 904841629 JHESBADJIPZGBH-UHFFFAOYSA-N 248.301 2.769 0 50 BFAA CC(C)[C@@H]1CC[C@@]2(C)O[C@@H]1[C@H]1[C@H]2CC[C@]1(C)O 1077995420 PEWNHOBTYNZGAR-VRPMWHRCSA-N 238.371 2.987 0 50 BFAA biogenic CCc1nccn1C[C@H](C)N(C)Cc1ccoc1 1506399729 CSDCZPURWLCZJX-LBPRGKRZSA-N 247.342 2.559 0 50 BFAA Cn1cc(Cl)cc(OCc2ccccc2)c1=O 1772574308 ZWFBXCBGBUROGD-UHFFFAOYSA-N 249.697 2.618 0 50 BFAA c1cc(-c2ccc3n[nH]cc3c2)n(CC2CC2)n1 1875292028 UHAXLDIVZIJXKJ-UHFFFAOYSA-N 238.294 2.836 0 50 BFAA COCc1csc(-c2cn3ccccc3n2)n1 2325876215 NHJYIDDSFCXAPE-UHFFFAOYSA-N 245.307 2.604 0 50 BFAA Cc1ccc(Cn2c(=O)[nH]c3ccccc32)cc1 104948 NXTMFHTWMAFPRK-UHFFFAOYSA-N 238.290 2.686 0 50 BFAA COc1ccc2nc(SC)nc(C)c2c1 261056 SEFHOIOTSQLTMA-UHFFFAOYSA-N 220.297 2.669 0 50 BFAA O=C(O)CCn1c2c(c3ccccc31)CCCC2 270394 HOLWINOWZVORSA-UHFFFAOYSA-N 243.306 2.995 0 50 BFAA C[C@@H](Sc1c[nH]c2ccccc12)C(=O)O 291774 ARSBHBJXJSDBSM-SSDOTTSWSA-N 221.281 2.733 0 50 BFAA in-vitro Fc1ccc(NCn2nnc3ccccc32)cc1 314777 RSTJSEXNEQUVLD-UHFFFAOYSA-N 242.257 2.640 0 50 BFAA O=C(Nc1cccnc1)C1CCCCC1 342991 VCACROIEYMIXLH-UHFFFAOYSA-N 204.273 2.600 0 50 BFAA CC(=O)n1c2c(c3ccccc31)CCCC2=O 393073 MIGJEXKBUJPKJF-UHFFFAOYSA-N 227.263 2.820 0 50 BFAA in-vivo CCc1cc(=O)oc2c(C)c(OC(C)=O)ccc12 451586 XONCQUZGZBPFQB-UHFFFAOYSA-N 246.262 2.589 0 50 BFAA CCn1c(C)c2c(C)nnc(C)c2c1C 529301 DSTJBYQGEIJZEE-UHFFFAOYSA-N 203.289 2.685 0 50 BFAA Cc1ccc2oc(=O)c(C=O)c(Cl)c2c1 1081543 HXSVKJZDKJJYAF-UHFFFAOYSA-N 222.627 2.567 0 50 BFAA O=C(c1ccc2c(c1)OCCO2)c1cccs1 1443531 RWMJTNHEMMKTRV-UHFFFAOYSA-N 246.287 2.750 0 50 BFAA CCn1c(S)nnc1-c1ccccc1Cl 2526660 GTLAVOKFTAGRKS-UHFFFAOYSA-N 239.731 2.907 0 50 BFAA in-vitro COC(C)(OC)c1cccc(Br)c1 2544772 SWMARCBUWYKQGH-UHFFFAOYSA-N 245.116 2.915 0 50 BFAA C[C@H](CCO)c1cn(C)c2ccccc12 2548281 WHQZINALYHALBY-SNVBAGLBSA-N 203.285 2.664 0 50 BFAA CCC(=O)NCc1nc2ccccc2n1C(C)C 2721252 WSTCJDVCOWUQJM-UHFFFAOYSA-N 245.326 2.643 0 50 BFAA CCCNC(=O)CCSc1ccccc1 6264868 BMFOJQVAKPCEAE-UHFFFAOYSA-N 223.341 2.695 0 50 BFAA CCCCNC(=O)c1cccn1CCCC 6635565 LLHPNYSHPPEGMW-UHFFFAOYSA-N 222.332 2.818 0 50 BFAA CC[C@@H](C)Cn1c(CCO)nc2ccccc21 8786051 OOJUWOLZPKRRCN-LLVKDONJSA-N 232.327 2.617 0 50 BFAA CCCCNC(=O)COc1ccc(CC)cc1 10471945 LHCUTYBCXIWEPQ-UHFFFAOYSA-N 235.327 2.544 0 50 BFAA CCCc1ccc(C(=O)NC[C@H]2CCCO2)cc1 13331133 ZCGIIKXSWBFCDF-CQSZACIVSA-N 247.338 2.548 0 50 BFAA O=C(O)c1ccc2c(Br)c[nH]c2c1 34580216 XZNVEIYDUGPMCS-UHFFFAOYSA-N 240.056 2.629 0 50 BFAA FC(F)(F)c1cc(-c2nccs2)[nH]n1 43463636 KMBMBDWGHUKGSP-UHFFFAOYSA-N 219.191 2.552 0 50 BFAA FC1(F)CCN(Cc2ccccc2)CC1 55048320 ZOHRARQBWMKEMZ-UHFFFAOYSA-N 211.255 2.918 0 50 BFAA in-vitro NC(=S)c1ccc(-c2ccc(O)cc2)cc1 83356892 VDRLZHYTPAEASC-UHFFFAOYSA-N 229.304 2.693 0 50 BFAA O=Cc1sc(Br)cc1Cl 84239114 CMYNALMSTBXLMN-UHFFFAOYSA-N 225.494 2.977 0 50 BFAA CC[C@@H](NC(=O)c1cccs1)c1ncc(C)[nH]1 215607024 AHEGZYYSYXQDQQ-SECBINFHSA-N 249.339 2.661 0 50 BFAA Cc1ncc(CNc2cncc(F)c2)s1 300945598 SSOIKBIBPGCZFT-UHFFFAOYSA-N 223.276 2.598 0 50 BFAA O=C(N[C@H]1CC12CC2)N1CCC[C@H]1C1CCCC1 335131801 YIOYQPRGNRJTKX-STQMWFEESA-N 248.370 2.903 0 50 BFAA CC(C)n1ccc2c(OCC(=O)O)cccc21 575440950 ZTLYPRHQPRXXFP-UHFFFAOYSA-N 233.267 2.686 0 50 BFAA CC1=CC(C)(C)N2COC(=O)c3cc(F)cc1c32 618256493 JERYNFSESBTBSG-UHFFFAOYSA-N 247.269 2.956 0 50 BFAA Cc1cc2c[nH]nc2cc1[C@@H]1CC[C@H](C)CN1 757213767 QYRMATFLZVSXTH-ZANVPECISA-N 229.327 2.932 0 50 BFAA O=Cc1ccc(OC(F)(F)F)c(F)c1F 1083811054 QFLPOTKBYLHGCE-UHFFFAOYSA-N 226.100 2.676 0 50 BFAA O=C(O)c1ccc(-c2ocnc2CC2CC2)cc1 2356135906 XYVDIWNBBJLHGS-UHFFFAOYSA-N 243.262 2.992 0 50 BFAA CCOc1ccc(C(C)=O)c(OCC)c1 105267 HVMNBJVJMFQOOZ-UHFFFAOYSA-N 208.257 2.687 0 50 BFAA biogenic,in-vitro O=C(O)c1ncoc1-c1cccc(Cl)c1 107964 UHZDXZWJFQEEFP-UHFFFAOYSA-N 223.615 2.693 0 50 BFAA in-vitro Cc1nc(-c2ccc(C(=O)O)cc2)cs1 337640 NYJHTTLXERQUIV-UHFFFAOYSA-N 219.265 2.817 0 50 BFAA in-vitro CC(C)(C)NC(=O)Cc1c(F)cccc1Cl 372199 RWZCVQWGMURPCL-UHFFFAOYSA-N 243.709 2.936 0 50 BFAA C[C@@H]1CCC[C@@H](NC(=O)c2ccccc2)C1 406290 BSTHPONDLDGVEB-DGCLKSJQSA-N 217.312 2.995 0 50 BFAA COc1ccc(C(=O)c2ccccc2)c(OC)c1 439244 WWVXYKPKRAMYDP-UHFFFAOYSA-N 242.274 2.935 0 50 BFAA COc1ccc(SC2CCNCC2)cc1 2513158 WCSUZKQRCZBQHS-UHFFFAOYSA-N 223.341 2.539 0 50 BFAA in-vitro CCOP(=O)(OCC)N1CCCCC1 3165083 YUGUNXGHQJDZJY-UHFFFAOYSA-N 221.237 2.653 0 50 BFAA CC(=O)c1c(Nc2ccccc2)cc(C)oc1=O 3880247 DPOGXFIAJVXRHT-UHFFFAOYSA-N 243.262 2.894 0 50 BFAA CCCCOc1c(C=O)cccc1OC 4825438 KFSWONZYRSVJJQ-UHFFFAOYSA-N 208.257 2.687 0 50 BFAA in-vitro COc1cccc(OC/C=C/CN2CCCC2)c1 16622523 MPCHJJGIULPRCV-SNAWJCMRSA-N 247.338 2.726 0 50 BFAA COC(=O)c1ccc(Br)c(C)c1F 54967248 BFWXLPUXNQYBML-UHFFFAOYSA-N 247.063 2.683 0 50 BFAA Cc1ccc(F)c(C=O)c1Br 72191378 HORDCPFFRDZLRG-UHFFFAOYSA-N 217.037 2.709 0 50 BFAA in-vitro O=C(O)c1nccc2ccc(Cl)cc12 74178420 ARMPFNMUGIMORU-UHFFFAOYSA-N 207.616 2.586 0 50 BFAA Cc1cc(=S)[nH]cc1Br 86032231 RMCYXAWMSNCDAM-UHFFFAOYSA-N 204.092 2.815 0 50 BFAA in-vitro FC(F)(F)c1[nH]nc2nccc(Cl)c12 203699367 BBPZAVPGVHWLEG-UHFFFAOYSA-N 221.569 2.630 0 50 BFAA Cc1cc(-c2nc([C@@H]3C[C@H]4CC[C@H]3C4)no2)n[nH]1 273710863 IAQZAOYEQJWGPN-LPEHRKFASA-N 244.298 2.672 0 50 BFAA COc1ccccc1[C@H](C)NCCC1(O)CCC1 284464309 VILSXKQCOHLAFC-LBPRGKRZSA-N 249.354 2.651 0 50 BFAA CC[C@H]1CCCN(Cc2cnc(C)cn2)CC1 335944599 XSJSALFBNJMOJL-ZDUSSCGKSA-N 233.359 2.797 0 50 BFAA CC(C(=O)N1CCCc2c[nH]nc21)=C1CCCC1 1775984796 CYCUVLZZCWNYHV-UHFFFAOYSA-N 245.326 2.579 0 50 BFAA Cc1ccc2c(C(=O)NCC3CC3)ccnc2c1 2325805947 HJFPGAGEFJEJSR-UHFFFAOYSA-N 240.306 2.683 0 50 BFAA O=C(OCc1ccco1)c1ccccc1 155277 OYUZXJBNSJHTRF-UHFFFAOYSA-N 202.209 2.637 0 50 BFAA O=C(NCc1cccs1)c1ccc(F)cc1 155363 QFRIFIILJSMAKU-UHFFFAOYSA-N 235.283 2.817 0 50 BFAA OC(c1ccccc1)(C(F)(F)F)C(F)(F)F 157910 IZPIZCAYJQCTNG-UHFFFAOYSA-N 244.134 2.999 0 50 BFAA in-vitro O=C(Oc1cccc(O)c1)c1ccccc1 396112 GDESWOTWNNGOMW-UHFFFAOYSA-N 214.220 2.611 0 50 BFAA COc1ccc(C(=O)Nc2ccccc2O)cc1 406779 STBOLXGFDRQSBN-UHFFFAOYSA-N 243.262 2.653 0 50 BFAA COC(=O)[C@H](C)Oc1ccccc1C(C)C 1459368 IIAVBDCSUIHSHC-JTQLQIEISA-N 222.284 2.750 0 50 BFAA COc1ccccc1CN[C@H]1CCCC[C@@H]1OC 4952864 WIYJMEIIKKRJEO-ZFWWWQNUSA-N 249.354 2.742 0 50 BFAA COc1ccc(C(=O)N2CCC(C)CC2)cc1C 9140083 VHLDCXQRENDGPQ-UHFFFAOYSA-N 247.338 2.876 0 50 BFAA Cc1ccccc1-c1nc(CN)cs1 11850512 NGKRWTGCZXPKCO-UHFFFAOYSA-N 204.298 2.577 0 50 BFAA in-vitro Cc1ccc(F)cc1NC(=O)c1cccnc1 13325462 QIVQTEADGBULGU-UHFFFAOYSA-N 230.242 2.781 0 50 BFAA N[C@H](c1ccc(Cl)cc1)C(F)(F)F 19433021 ZGFGADXCVWZZHD-SSDOTTSWSA-N 209.598 2.902 0 50 BFAA in-vitro O[C@H](CNCc1ccccc1F)c1ccccc1 19871974 FBMPFYHLTUGIMG-OAHLLOKOSA-N 245.297 2.649 0 50 BFAA CCNC(=O)CCc1cccc2ccccc12 67338861 TYCAKCULLGPXIK-UHFFFAOYSA-N 227.307 2.909 0 50 BFAA C=Cc1cccc(-c2nccn2CCCO)c1 71752515 VWQLSWBEIPULGZ-UHFFFAOYSA-N 228.295 2.576 0 50 BFAA COC(=O)[C@@]12C[C@H]3C[C@@H](C1)C(F)(F)[C@H](C3)C2 100058169 IRSQDTPPCWEWKW-WJILXUHTSA-N 230.254 2.621 0 50 BFAA Oc1cc(Cl)c(F)cc1Br 139904646 WKFLSXFQSNTOQC-UHFFFAOYSA-N 225.444 2.947 0 50 BFAA CSc1ccc(/N=c2/ccccn2C)cc1 140255021 VDBDAMZQTWEIIC-YPKPFQOOSA-N 230.336 2.979 0 50 BFAA C[C@@H]1CCCC[C@H]1CNc1ncnc2oncc12 225503722 QWGILTNSMCZXBD-ZJUUUORDSA-N 246.314 2.856 0 50 BFAA C[C@H]1CC(C)(C)N2C(=O)C(=O)c3cc(F)cc1c32 253495908 VHPJWBSXCPEYMH-ZETCQYMHSA-N 247.269 2.641 0 50 BFAA CCc1nn(C)cc1-c1ccc(OC)cc1C 426737540 RVNICPWODIQWNG-UHFFFAOYSA-N 230.311 2.967 0 50 BFAA O=C(O)c1occc1-c1ccc(F)c(F)c1 696426524 KVUYIFCLDNFODP-UHFFFAOYSA-N 224.162 2.923 0 50 BFAA Cc1ccc2n[nH]cc2c1[C@@H]1C[C@@H](C)CCN1 757208904 FBOCCMLEVSLRFB-ZANVPECISA-N 229.327 2.932 0 50 BFAA C[C@H](O)c1cccc(-c2cncc(O)c2)c1F 1875240890 KBHKDEOCIQLIFB-QMMMGPOBSA-N 233.242 2.647 0 50 BFAA Fc1ccccc1-c1cc(-c2cc[nH]n2)on1 2325776528 VQHGPZMBZHYUIK-UHFFFAOYSA-N 229.214 2.871 0 50 BFAA