smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=Cc1cnc(-c2ccc(C(F)(F)F)cc2)[nH]1 34522157 CCTLLAYXGKNJES-UHFFFAOYSA-N 240.184 2.908 0 30 BFAC O=C1CCCc2ccc(Br)cc2C1 59074590 HXWJNKZLVKSXGC-UHFFFAOYSA-N 239.112 2.897 0 30 BFAC CC[C@H](C)N1C[C@H](O)Cc2ccc(C)cc21 199893073 HTGTXWKSFMCXJN-WCQYABFASA-N 219.328 2.517 0 30 BFAC Cc1cc2c(cc1Br)[C@H](N)CC2 238545419 JKNDFHIQSYIFBW-SNVBAGLBSA-N 226.117 2.704 0 30 BFAC O=C(Sc1ccccc1)c1ccno1 122110 CKQHEUOSMSRBNM-UHFFFAOYSA-N 205.238 2.607 0 30 BFAC Cn1cncc1-c1ccc2ccccc2n1 13208870 MAJBLSDHYUPQQD-UHFFFAOYSA-N 209.252 2.635 0 30 BFAC biogenic Cc1cc(Br)ccc1[C@H](C)N 82533919 GMCHYPOMQPPOJT-ZETCQYMHSA-N 214.106 2.777 0 30 BFAC COC(=O)c1cc(S)ccc1Br 125480470 PIZJKAUDQZSKPQ-UHFFFAOYSA-N 247.113 2.524 0 30 BFAC C[C@]1(Cl)C[C@H](c2ccccc2)OC1=O 5736262 IVPWPXOKZYCQNZ-KOLCDFICSA-N 210.660 2.672 0 30 BFAC O=C(O)[C@H](F)c1ccc(C(F)(F)F)cc1 34770873 SNSVFEGAHSFELK-SSDOTTSWSA-N 222.137 2.801 0 30 BFAC in-vitro CCOC(=O)c1cc(F)c(F)cc1Cl 47202692 OFACIKFWNCTFCU-UHFFFAOYSA-N 220.602 2.795 0 30 BFAC C[C@@H](O)c1ccc(F)cc1C(F)(F)F 95637099 OVYSJPULJHZNRI-RXMQYKEDSA-N 208.154 2.898 0 30 BFAC CNCCCCCCCCCCCO 148125630 VYBQBSGDKAHCPI-UHFFFAOYSA-N 201.354 2.709 0 30 BFAC in-vitro Brc1ccc(CN2CCCC2)o1 257950838 HCTLMDHYHQJNPB-UHFFFAOYSA-N 230.105 2.638 0 30 BFAC CC(C)c1ccc(NC(=S)NN(C)C)cc1 98272 METKXQLJHNYXNW-UHFFFAOYSA-N 237.372 2.573 0 30 BFAC Oc1nc(Cl)nc2cc(Cl)c(F)cc12 118219624 ZOCZSZOKKFQVEL-UHFFFAOYSA-N 233.029 2.781 0 30 BFAC Nc1ccn2cc(-c3ccc(F)c(F)c3)nc2c1 1565504849 SHFYCTVLSIWBQU-UHFFFAOYSA-N 245.232 2.862 0 30 BFAC CCOC(Cc1cccc(F)c1)OCC 40542173 ZUQALQRCLQLGOY-UHFFFAOYSA-N 212.264 2.767 0 30 BFAC CCc1nc2nc(Br)cc(C)c2[nH]1 72233075 GJCDWILXTONYNB-UHFFFAOYSA-N 240.104 2.591 0 30 BFAC N[C@H]1C[C@H](c2cccc(OC(F)(F)F)c2)C1 299805496 QFLYGBCWLKOUTA-KYZUINATSA-N 231.217 2.790 0 30 BFAC O=C(NC1Cc2ccccc2C1)C1CCCCC1 171411 DUODLKYYLWWVDA-UHFFFAOYSA-N 243.350 2.850 0 30 BFAC CCOc1ccccc1CNC1CCC1 39099346 XWEVXXAEVSVYMS-UHFFFAOYSA-N 205.301 2.727 0 30 BFAC COc1ccc(COc2cccc(F)n2)cc1 40711346 FAWZPEGPADWVJD-UHFFFAOYSA-N 233.242 2.808 0 30 BFAC CCCc1c(N)cnn1-c1ccc(C)cc1 85634270 WWLZHMTWLCDWCJ-UHFFFAOYSA-N 215.300 2.715 0 30 BFAC O=C(O)Cc1ccc(SC2CC2)cc1 90694205 NQHUDEQPAAWIFS-UHFFFAOYSA-N 208.282 2.568 0 30 BFAC Cc1ccc(Nc2ncccc2C(=O)O)c(C)n1 94666449 IQJAEFVSLXVKCZ-UHFFFAOYSA-N 243.266 2.535 0 30 BFAC O=C(O)c1c[nH]c(-c2ccccc2F)c1 253533669 SWSZTLBZFMBSQC-UHFFFAOYSA-N 205.188 2.519 0 30 BFAC c1nc(NN2CCCCC2)c2sccc2n1 116566 MMQOOXVIGUQNTI-UHFFFAOYSA-N 234.328 2.504 0 30 BFAC C[C@@H](C(=O)O)c1ccc([C@H]2OC2(C)C)cc1 22063115 SKAHDOGTKBOBNX-LDYMZIIASA-N 220.268 2.725 0 30 BFAC in-vitro COC(=O)c1cc2ccccc2cc1S 34164899 ZEYDEXZUPUFHRA-UHFFFAOYSA-N 218.277 2.915 0 30 BFAC in-vitro C/C(Nc1ccc(C)cc1)=C1/CCOC1=O 158926 VFEILYRHNLBGGB-ZRDIBKRKSA-N 217.268 2.628 0 30 BFAC C[C@H]1CC[C@@]2(COC(C)(C)O2)C(C)(C)C1=O 38339579 GQDGYIPJMKFXRF-TVQRCGJNSA-N 226.316 2.533 0 30 BFAC Clc1cccnc1Nc1cccnc1 139443392 LGKKVSAVMKPUEH-UHFFFAOYSA-N 205.648 2.874 0 30 BFAC Cc1sc(C(=O)O)c(F)c1Br 2265356102 XQMHODGSTABREW-UHFFFAOYSA-N 239.065 2.656 0 30 BFAC CCO[P@@]1(=O)COc2ccccc2O1 6439463 FVYVGKDBCDSLSD-AWEZNQCLSA-N 214.157 2.645 0 30 BFAC Brc1ccc(-c2ccncc2)cn1 44121133 KVZVYMWKDNGSMA-UHFFFAOYSA-N 235.084 2.906 0 30 BFAC CC(C)(C)OC(=O)NCC(=O)C1CCCCC1 114852050 CNNRGHRTRDSRKV-UHFFFAOYSA-N 241.331 2.661 0 30 BFAC COc1cc(Cl)cc(Br)c1O 217051851 GPQQAEVNTJVZBR-UHFFFAOYSA-N 237.480 2.817 0 30 BFAC Nc1nc2cc(Cl)c(F)cc2s1 31893777 KIFQKTQYEYQDED-UHFFFAOYSA-N 202.641 2.671 0 30 BFAC BrC1(c2ccccc2)CCNCC1 33362796 HDQWRRVKPLILDC-UHFFFAOYSA-N 240.144 2.660 0 30 BFAC CSC(=O)S[C@H]1C2C[C@@H]3C1[C@@H]3C2 39112782 DITWWRQNYIJUJD-HZKFEDBQSA-N 200.328 2.857 0 30 BFAC O=C1COc2cc(Cl)c(Cl)cc21 238554696 TYWASUUDIZEDGE-UHFFFAOYSA-N 203.024 2.569 0 30 BFAC Clc1ccc(Cl)c2snnc12 6092253 DIVMDGZJKZFXPO-UHFFFAOYSA-N 205.069 2.998 0 30 BFAC Cc1ccc(S(=O)(=O)[C@@H]2C=CCCC2)cc1 22004789 DYHJOYRNQYMHAZ-GFCCVEGCSA-N 236.336 2.877 0 30 BFAC CNC1([C@@H](O)c2ccccc2C)CCCC1 39110108 JQEPDSPSYDSOHK-ZDUSSCGKSA-N 219.328 2.561 0 30 BFAC N[C@@H](Cc1ccccc1)CC(F)(F)F 42413232 KHJXKGANEWGIFN-VIFPVBQESA-N 203.207 2.509 0 30 BFAC CCC(O)(CC)C[C@@](C)(O)c1ccc(F)cc1 2016296 DEKTTZLLHCKGEN-CYBMUJFWSA-N 240.318 2.974 0 30 BFAC CCOc1ccc2nc(C)cc(N)c2c1 32099413 RKLCZJYWQIOYCN-UHFFFAOYSA-N 202.257 2.524 0 30 BFAC O=C(Oc1ccc(Cl)cc1)C1(F)CC1 34612671 HQALUIBDQVPQKQ-UHFFFAOYSA-N 214.623 2.748 0 30 BFAC Cn1c(Cl)nc2cc(Cl)ccc21 63772337 ZAMGXOKBQQMMOV-UHFFFAOYSA-N 201.056 2.880 0 30 BFAC CCC[C@@H](O)c1ccc(Br)cn1 66327926 MAXSPYMZMXHXQU-SECBINFHSA-N 230.105 2.678 0 30 BFAC CC(C)CCn1nc(CN)c2ccccc21 70630844 JETBDCTVRRKIQI-UHFFFAOYSA-N 217.316 2.541 0 30 BFAC Cc1cc(NC(=O)OC(C)(C)C)c(C=O)cn1 95751453 SIKDAFYSFNXBAT-UHFFFAOYSA-N 236.271 2.550 0 30 BFAC CC[C@@H]1CCN[C@H]1c1cccc(OC)c1 3733177 CHPRIVJCGPOHLG-ZWNOBZJWSA-N 205.301 2.756 0 30 BFAC CC[C@@H](N)Cc1ccc(OC(F)(F)F)cc1 36778848 ZCLZVVLAXOBRMP-SECBINFHSA-N 233.233 2.865 0 30 BFAC Cc1cccc(C)c1CNC[C@@H]1CCCO1 83349993 DHIYZJMZZXHQFU-ZDUSSCGKSA-N 219.328 2.572 0 30 BFAC O=C1CCCc2cc(N3CCCC3)ccc21 91366517 DKAZJDOAHPKNGQ-UHFFFAOYSA-N 215.296 2.806 0 30 BFAC COc1cccc([C@@H](C(=O)O)C(C)C)c1 19726452 MJGOQSIKBQCAJZ-NSHDSACASA-N 208.257 2.519 0 30 BFAC Brc1cccc([C@@H]2CCO2)c1 220703375 UDLDGMXHWQOQMB-VIFPVBQESA-N 213.074 2.911 0 30 BFAC COC(=S)Nc1cccc(Cl)c1 4336109 JOPMUACMWAYNDN-UHFFFAOYSA-N 201.678 2.683 0 30 BFAC CNc1ccc(F)c(Br)c1 36533377 WXTVZOBRJBMSFT-UHFFFAOYSA-N 204.042 2.630 0 30 BFAC Cc1c(CN)cnn1-c1ccc(C(C)(C)C)cc1 71558037 ZMRXJFFTTKABKT-UHFFFAOYSA-N 243.354 2.937 0 30 BFAC O=C(Oc1cccnc1)c1c(F)cccc1F 138660 HHQTXLXLLZMLPU-UHFFFAOYSA-N 235.189 2.579 0 30 BFAC CC(C)(C)C(=O)NCC[C@H]1CC1(Cl)Cl 142211 BUTNBGSCYPAOMS-ZETCQYMHSA-N 238.158 2.733 0 30 BFAC OCc1ccc2c(-c3ccoc3)ccnc2c1 44138336 QFFOHWJHBSRWFS-UHFFFAOYSA-N 225.247 2.987 0 30 BFAC O=C(O)c1ccc(-c2cccc(F)c2)[nH]1 77298309 BYEKEGQCZGIBSQ-UHFFFAOYSA-N 205.188 2.519 0 30 BFAC COC(=O)c1ccc2sc(Cl)nc2c1 95642481 BYLOHEPCHOXXGW-UHFFFAOYSA-N 227.672 2.736 0 30 BFAC in-vitro CC[C@H](C(C)=O)c1ccc(OC)c(OC)c1 95932080 SOJNQJRJHNNHHG-LLVKDONJSA-N 222.284 2.786 0 30 BFAC Nc1ccc2nc(Cl)c(Cl)nc2c1 34455607 YCLUGYOTBXWZAF-UHFFFAOYSA-N 214.055 2.519 0 30 BFAC CC/C=C(\Cl)C(=O)N1CCCCC1 39055293 CPRBVYYRBRIRJI-TWGQIWQCSA-N 201.697 2.532 0 30 BFAC COc1cccc(C[C@@H](O)c2ccccc2)c1 40243996 FPRARTRWKLFGES-OAHLLOKOSA-N 228.291 2.971 0 30 BFAC in-vitro O=Cc1coc2cc(Cl)c(Cl)cc2c1=O 201203171 OBLBAQQFHGLLIP-UHFFFAOYSA-N 243.045 2.912 0 30 BFAC Cc1sc(Br)nc1[C@@H]1CCOC1 258821438 KVCZTGQJLQJSOQ-ZCFIWIBFSA-N 248.145 2.718 0 30 BFAC Cc1cccc2nc(-c3ccco3)oc(=O)c12 152194 HUIKNHXZBHSIGT-UHFFFAOYSA-N 227.219 2.756 0 30 BFAC Cc1cccc(Cc2ncc(CN)s2)c1 43561228 JNFOYYUCGPUOLG-UHFFFAOYSA-N 218.325 2.501 0 30 BFAC CC(=O)N(C)c1ccc2nc(C)sc2c1 45236911 PVDCTGYAXINCMG-UHFFFAOYSA-N 220.297 2.587 0 30 BFAC CC(C)(C)n1nccc1-c1ccccn1 72190531 XGMNIZXLRQXVEN-UHFFFAOYSA-N 201.273 2.700 0 30 BFAC O=C(O)c1nc(-c2cc(F)cc(F)c2)cs1 75852072 IOIVSCXZRVITIN-UHFFFAOYSA-N 241.218 2.787 0 30 BFAC C=C(C(=O)OC)c1ccc(F)c(Cl)c1 259041322 SXGRTCHCXWATFD-UHFFFAOYSA-N 214.623 2.665 0 30 BFAC CC(C)C(=O)O[C@@H]1C=C[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 309158805 XEWHAZXTDUYYBY-KIJLLGNVSA-N 220.312 2.786 0 30 BFAC CCCCCCOCC(OCC)OCC 5511877 JZUZJJCWIKMTAO-UHFFFAOYSA-N 218.337 2.982 0 30 BFAC COc1cccc([C@H](C(=O)O)C(C)C)c1 19726451 MJGOQSIKBQCAJZ-LLVKDONJSA-N 208.257 2.519 0 30 BFAC O=C(O)CCSC(=O)OCc1ccccc1 135940414 ZBANWZZRYIZUPZ-UHFFFAOYSA-N 240.280 2.531 0 30 BFAC Ic1ccc(C2CC2)nc1 221207312 UOKNOGWGWGTPES-UHFFFAOYSA-N 245.063 2.564 0 30 BFAC O=C(O)c1cc2ccccc2nc1C(F)F 713534123 GYLJULVLHAULFW-UHFFFAOYSA-N 223.178 2.871 0 30 BFAC CC(C)(C)OC(=O)NC1[C@H]2CC[C@@H]1CC2 2265360028 BQKZCBCAENWGLW-ULKQDVFKSA-N 211.305 2.700 0 30 BFAC Cc1nc2c(C)ccc(C)c2cc1C(=O)O 32099261 GPEBGIWRGWUTDC-UHFFFAOYSA-N 215.252 2.858 0 30 BFAC Fc1ccc2c(c1)[C@@H](NC1CC1)CCCO2 35652871 HMXNIAZAJXTPHH-LBPRGKRZSA-N 221.275 2.791 0 30 BFAC O=C(Nc1ccccc1)O[C@@H]1CCSC1 142066 JJGVKJZQRYHNDF-SNVBAGLBSA-N 223.297 2.741 0 30 BFAC COc1ccc2nc3c(nc2c1)CCCC3 152747 QPXWLAMWMJJQRE-UHFFFAOYSA-N 214.268 2.517 0 30 BFAC biogenic CCCCNC(=O)N1CCC(n2cccc2)CC1 3129146 AJMDDDKHFAKXEV-UHFFFAOYSA-N 249.358 2.635 0 30 BFAC CC1=C(O)C(=O)O[C@H]1c1c(F)cccc1Cl 20421187 IBXNVSVLCYVZSS-SNVBAGLBSA-N 242.633 2.909 0 30 BFAC COc1cc(C(C)(C)N)ccc1Br 84554195 NAANMLMUSLSRMT-UHFFFAOYSA-N 244.132 2.652 0 30 BFAC Cc1cc(C[C@H]2CCCC[C@@H]2N)ccc1N 33609111 CRHCRZNTDDWSCP-OCCSQVGLSA-N 218.344 2.637 0 30 BFAC O=C(Cc1ccccc1)CC(F)(F)F 34256987 XUHUVNJCENJCEM-UHFFFAOYSA-N 202.175 2.751 0 30 BFAC Clc1cccc([C@H]2CNCCO2)c1Cl 84514294 IXEKUZIPYFNWLS-SECBINFHSA-N 232.110 2.654 0 30 BFAC COC(=O)[C@H](C)c1ccc2ccccc2n1 98210028 IAYFPOZMSYZJRQ-SECBINFHSA-N 215.252 2.511 0 30 BFAC in-vitro CCCCC[C@H](C[C@@H](OC)OCC)OC 1633944 RRIRPAZDEZXYKM-NEPJUHHUSA-N 218.337 2.981 0 30 BFAC O=C1CSc2cc(Br)ccc21 139963712 PXTJRMBKUHUCIZ-UHFFFAOYSA-N 229.098 2.738 0 30 BFAC CC(=O)Oc1ccc(CC(=O)c2ccco2)cc1 197156498 FQVFHDDLKJCVHP-UHFFFAOYSA-N 244.246 2.630 0 30 BFAC CC1(CC(=O)O)Oc2cc3ccccc3cc2O1 2005640 RVGMFKLEXMKLDX-UHFFFAOYSA-N 244.246 2.802 0 30 BFAC CCC[C@H](O)CC[C@@H]1O[C@H](C)CC(C)(C)O1 5838816 PGJWDNHHHKORMH-GRYCIOLGSA-N 230.348 2.858 0 30 BFAC COC(=O)CCCCCCCC[C@H](C)O 33950245 UFIVBIIQLDEBCZ-NSHDSACASA-N 216.321 2.661 0 30 BFAC O=C(O)[C@@H]1CC[C@@H]1c1ccccc1Cl 87924464 VOKNTOGPWOSSAQ-VXNVDRBHSA-N 210.660 2.918 0 30 BFAC CSc1cc(=O)c2ccccc2s1 84970 HEYIFIUEHPBBSC-UHFFFAOYSA-N 208.307 2.983 0 30 BFAC CCC[C@@H](O)CCC(=O)c1ccccc1 71606097 PHIDTZWVRHOPNN-GFCCVEGCSA-N 206.285 2.811 0 30 BFAC CCOc1ccc([C@@H](C)OC(C)=O)cc1 39099598 MLVJFXUUKIMHNC-SECBINFHSA-N 208.257 2.709 0 30 BFAC NCC1(c2cc(F)cc(Br)c2)CC1 84554094 XATXGRVNPKGPNY-UHFFFAOYSA-N 244.107 2.579 0 30 BFAC FC(F)(F)Oc1cccc2c1CCN2 147018245 LGSACHBMAMCNHB-UHFFFAOYSA-N 203.163 2.553 0 30 BFAC Cc1cccc2c(CCN(C)C)c[nH]c12 1845072 PQSFTUCFMWBITK-UHFFFAOYSA-N 202.301 2.580 0 30 BFAC Cc1ccc(C(=O)Oc2ccccc2)cc1N 33606680 FLDBLKUKZWISKY-UHFFFAOYSA-N 227.263 2.796 0 30 BFAC O=Cc1cc(C(F)(F)F)ncc1Cl 95642413 FWLOVHZBOXWMOL-UHFFFAOYSA-N 209.554 2.566 0 30 BFAC CC1(C)C[C@@]1(CC(=O)O)c1ccccc1 106882847 SEQQWAUDIPDGAC-ZDUSSCGKSA-N 204.269 2.829 0 30 BFAC COC1=C(F)C(F)(F)C(F)(F)C(F)=C1OC 204979801 BNOYWBXCTVUNPK-UHFFFAOYSA-N 248.122 2.926 0 30 BFAC CC(C)(C)n1[nH]c(-c2ccccc2)cc1=N 685982348 GUNOIHPKAQODBV-UHFFFAOYSA-N 215.300 2.718 0 30 BFAC CCC1=Cc2ccccc2[C@@H]1NC(C)=O 5792091 OBAIYYXAMWNGIW-CYBMUJFWSA-N 201.269 2.671 0 30 BFAC CCCN(CCC)C(=S)C(F)(F)F 39124827 ARIYMAOIYQJKDY-UHFFFAOYSA-N 213.268 2.998 0 30 BFAC COc1cc(C(=O)O)cc(-c2c(C)noc2C)c1 65349623 PWPAHFYIVWZBRZ-UHFFFAOYSA-N 247.250 2.665 0 30 BFAC NC(CCC(F)(F)F)CCC(F)(F)F 86980007 CMKLGIWQGMKWBL-UHFFFAOYSA-N 223.160 2.999 0 30 BFAC COc1cc2sc(C(=O)O)cc2cc1F 396208019 SSBINRNRJXIIPN-UHFFFAOYSA-N 226.228 2.747 0 30 BFAC N[C@@]1(c2ccccc2Br)CC1(F)F 1536096713 LKJDUKMZUGWSIL-MRVPVSSYSA-N 248.070 2.642 0 30 BFAC C[S@@](=O)c1ccc(C(=O)c2ccccc2)cc1 39249261 VXBCJVHBULDKIG-KRWDZBQOSA-N 244.315 2.655 0 30 BFAC COc1cccc(N(C)c2ccnc(Cl)n2)c1 51850327 QNSWXTVTXBLMKG-UHFFFAOYSA-N 249.701 2.907 0 30 BFAC Cc1cccc(C)c1NC(C)(C)C(=O)O 57494948 GVEJJECOFCCHGQ-UHFFFAOYSA-N 207.273 2.579 0 30 BFAC N[C@H](Cc1ccncc1)CC1CCCC1 60708895 RGMSBSSAMZUKHU-ZDUSSCGKSA-N 204.317 2.532 0 30 BFAC CCOC(=O)[C@H]1CC=C([B-](F)(F)F)CC1 219728188 CXUOSRKPDDRVDK-ZETCQYMHSA-N 221.007 2.663 0 30 BFAC CCCCOC(=O)c1cc(C)ccc1N 37093108 IIJVBMCYNOZYOS-UHFFFAOYSA-N 207.273 2.534 0 30 BFAC C[Si](C)(C)c1cc(Cl)ccc1O 238452410 ZSBBFSOHVUNQSA-UHFFFAOYSA-N 200.741 2.591 0 30 BFAC COC(=O)Cc1ccc2nc(Cl)sc2c1 396176838 HRWGYSMGYZELLD-UHFFFAOYSA-N 241.699 2.665 0 30 BFAC Cc1ccc([C@@H]2N=NNC2=S)c(C)c1 72496 WZTMIYCJTAUZFP-VIFPVBQESA-N 205.286 2.642 0 30 BFAC CCOC(=O)[C@]1(C(C)=O)CC=C(C)C[C@H]1C 5857167 IBMDADQQJZKLJI-ZWNOBZJWSA-N 224.300 2.501 0 30 BFAC Cc1c(C(=O)O)cnc2c(C)cccc12 32099829 VCTLRAXEFNWJOG-UHFFFAOYSA-N 201.225 2.550 0 30 BFAC CCNCCc1ccc(C(F)(F)F)cc1 49824787 PRHCVFRAQGVYPF-UHFFFAOYSA-N 217.234 2.857 0 30 BFAC C[C@@H](C(=O)O)c1ccc(C(F)F)cc1 214211184 JAQCPAZIZKBYCM-ZCFIWIBFSA-N 200.184 2.812 0 30 BFAC CCc1nc(SC)nc(SC)c1C 39101762 NHEAUNXPKBMVKP-UHFFFAOYSA-N 214.359 2.791 0 30 BFAC Brc1ccn(-c2ccccn2)c1 90550496 KTADGYMKIPMWOK-UHFFFAOYSA-N 223.073 2.635 0 30 BFAC Fc1c(Cl)ccn2ncc(Br)c12 238561366 IEVHKUZWIQWGJD-UHFFFAOYSA-N 249.470 2.889 0 30 BFAC CC(C)C(=O)Nc1ncc(Br)s1 37387128 MWIQVOZBGPQZMK-UHFFFAOYSA-N 249.133 2.500 0 30 BFAC Fc1ccc(Cc2nnc(Cl)s2)cc1 71050605 NJPWTYMFTTUGHO-UHFFFAOYSA-N 228.679 2.921 0 30 BFAC O=C(O)C1(c2ccc(O)cc2)CCCCC1 78166241 GEQLJOZVOMELKM-UHFFFAOYSA-N 220.268 2.679 0 30 BFAC N[C@@H](CC(=O)O)c1cccc(-c2ccccc2)c1 95642265 STLQUHNBILJQTH-AWEZNQCLSA-N 241.290 2.828 0 30 BFAC CC1=Nc2cccc(C(=O)O)c2C1(C)C 113128994 DLFRWILZUBBIOA-UHFFFAOYSA-N 203.241 2.768 0 30 BFAC CC1(C)CC(=O)[C@@H]2[C@@H]3OCCC[C@@H]3[C@]2(C)C1 38652548 NSKPIVOZPLDHHW-RSXIPKFTSA-N 222.328 2.807 0 30 BFAC O=c1ccc(/C=C/c2ccccc2)ccc1O 136488953 GHPYEWIMACXPOR-VOTSOKGWSA-N 224.259 2.923 0 30 BFAC Cc1cc(O)c2c(c1)-c1ccccc1C2=O 148606115 MAUIOJSVQAZJGK-UHFFFAOYSA-N 210.232 2.912 0 30 BFAC CC1(C)CC(=O)C(C=Nc2ccccc2)C(=O)C1 254875601 YVPZUXGVEHSRMM-UHFFFAOYSA-N 243.306 2.963 0 30 BFAC N=[S@@](=O)(c1ccccc1F)C(F)(F)F 1535641980 VVXFXAJJCRVHEH-CQSZACIVSA-N 227.182 2.751 0 30 BFAC CCCC[C@@H]1C(=O)[C@@H](C)C[C@@H]1CC(=O)OC 38636350 MSBRSFQZKZOPDR-AXFHLTTASA-N 226.316 2.581 0 30 BFAC N[C@@H](CCc1ccccc1)CC(F)(F)F 42413262 FYACPZGCLYNRKN-JTQLQIEISA-N 217.234 2.899 0 30 BFAC CC1(C)CCCN(c2ccnc(Cl)n2)C1 38579620 CBURTKTWKGUOHK-UHFFFAOYSA-N 225.723 2.756 0 30 BFAC Cc1ccc(C(=O)[C@@H](N)c2ccccc2)cc1 39135104 XOUOQGQVAFVHOL-AWEZNQCLSA-N 225.291 2.878 0 30 BFAC NCCCCCC(=O)Sc1ccccc1 207019075 VOAQNONRBLDKLB-UHFFFAOYSA-N 223.341 2.824 0 30 BFAC CCOc1c2c(nc3ccccc13)OCC2 39100174 KMHJCOOVAHTWHG-UHFFFAOYSA-N 215.252 2.568 0 30 BFAC C=C(C(=O)OC)c1ccc(Cl)c(F)c1 115792040 YFWKYQYJRKOVMD-UHFFFAOYSA-N 214.623 2.665 0 30 BFAC CC(=O)OC[C@@H]1C(C)=CC[C@H]2[C@@H]1C2(C)C 38636730 MJGOVIGTDWZKNJ-GRYCIOLGSA-N 208.301 2.788 0 30 BFAC Brc1cccc(O[C@@H]2CCOC2)c1 82456080 UKRJSQHOMMGCON-SNVBAGLBSA-N 243.100 2.617 0 30 BFAC CCOC(=O)Cc1cccc(C(F)F)c1 448154611 KLDISWSWQRTYKS-UHFFFAOYSA-N 214.211 2.730 0 30 BFAC CC1(C)CC(CN)(c2ccc(F)cc2)C1 77300657 BDNNEVYPCZGFFV-UHFFFAOYSA-N 207.292 2.842 0 30 BFAC Cc1nc(N)c2cc(C(F)(F)F)ccc2n1 258194587 JUOHJCCKERHCAG-UHFFFAOYSA-N 227.189 2.539 0 30 BFAC COc1cc(-c2ccc(N)cc2)ccc1N 2572253 ZDFDINMHFLFYGQ-UHFFFAOYSA-N 214.268 2.527 0 30 BFAC CC(C)(C)C(=O)c1ccc(CC(=O)O)s1 90397681 RSLZOXMFFAMYQE-UHFFFAOYSA-N 226.297 2.604 0 30 BFAC COC(=O)c1ccc2sccc2c1OC 225899588 DBCDSJGCKRLKRC-UHFFFAOYSA-N 222.265 2.697 0 30 BFAC CCn1ncc2c(Cl)[nH]c3nccc-3c21 953024840 LXCFPCHTHVVNJG-UHFFFAOYSA-N 220.663 2.538 0 30 BFAC COc1ccc([C@@H]2C[C@H](C)CN2)cc1F 3704397 OWAXAHSJXNQNAW-KWQFWETISA-N 209.264 2.505 0 30 BFAC CCOC(=O)[C@H]1CCc2cc3ccccc3n2C1 34451478 HIUAZGLOMWYLMI-LBPRGKRZSA-N 243.306 2.767 0 30 BFAC CC(C)(C)C(=O)N1CCC[C@@H]1c1ccncc1 70250286 ZXNSQOIDJODXPP-GFCCVEGCSA-N 232.327 2.791 0 30 BFAC in-vitro CC(C)(C(=O)O)c1cc(Br)cs1 71563956 HQIVSKRHZWDVLU-UHFFFAOYSA-N 249.129 2.873 0 30 BFAC C[C@H]1CNC(SCc2ccc(Cl)cc2)=N1 144283 CPRHETANJYZEPZ-QMMMGPOBSA-N 240.759 2.921 0 30 BFAC O=c1c(Nc2ccccc2)ccc2n1CCC2 26897330 VVDCYQRRBGFZFX-UHFFFAOYSA-N 226.279 2.538 0 30 BFAC Brc1cc(C2CC2)ns1 84312095 PORDYJGEYIQUMB-UHFFFAOYSA-N 204.092 2.783 0 30 BFAC OCCO[C@H]1CCCC[C@H]1c1ccccc1 1599123 QZOQCWFGFMUAMB-KBPBESRZSA-N 220.312 2.722 0 30 BFAC biogenic CC(C)[C@@H](O)[C@H](C)C(=O)c1ccccc1 21996926 FTPHOAUCRXCRBV-CMPLNLGQSA-N 206.285 2.522 0 30 BFAC COc1cc(OC)c2c(c1)OC(C)(C)C=C2 5762058 LNNCIJIARMEHGZ-UHFFFAOYSA-N 220.268 2.888 0 30 BFAC biogenic CN(C)CCNc1ccc(OC(F)(F)F)cc1 20047531 OFUHLWNUICNFRY-UHFFFAOYSA-N 248.248 2.559 0 30 BFAC C[C@H](C(=O)c1ccccc1)[C@@H](O)C(C)(C)C 21996904 BATLYISGCNQVRP-ZWNOBZJWSA-N 220.312 2.912 0 30 BFAC N[C@H]1CCCc2c1ccc(F)c2Br 238578441 DMOKHKDSZZLMSZ-VIFPVBQESA-N 244.107 2.924 0 30 BFAC CC1(C)CCS(=O)(=O)c2ccc(Cl)cc21 685945588 AAYXIJCGCXHODG-UHFFFAOYSA-N 244.743 2.795 0 30 BFAC COc1ccccc1-c1n[nH]c2ccc(N)cc12 31990639 BOOYCKXHLZRWGK-UHFFFAOYSA-N 239.278 2.821 0 30 BFAC in-vitro COC(=O)C[C@@H](C)C(=O)c1cc(C)ccc1C 32169787 QEKOOPKDUCYYHF-LLVKDONJSA-N 234.295 2.685 0 30 BFAC COc1ccc2oc(-c3ncc[nH]3)cc2c1 33894373 UMPDHBNHZRUSBK-UHFFFAOYSA-N 214.224 2.832 0 30 BFAC CC[C@H](CCCC(=O)O)C(=O)Nc1ccccc1 238790751 ZRYFUZNJVZVHPI-LLVKDONJSA-N 249.310 2.906 0 30 BFAC CN(C)C=C1Oc2ccccc2N=C1Cl 5717927 AQUPIXZBNDANQY-UHFFFAOYSA-N 222.675 2.751 0 30 BFAC CCCCc1c(Cl)nc(N)nc1Cl 12649615 IWIQQCQDKOXDOL-UHFFFAOYSA-N 220.103 2.708 0 30 BFAC Nc1ccc(SCCN2CCCCC2)cc1 37182422 RYZNODQGFOSTBY-UHFFFAOYSA-N 236.384 2.847 0 30 BFAC in-vitro COC(=O)c1c[nH]c(Cc2ccccc2)c1C 45235351 TYXKOSZVRZTACP-UHFFFAOYSA-N 229.279 2.701 0 30 BFAC OCC1(Cc2cccc(Br)c2)CC1 85037515 NAOVHFCLYBKMDP-UHFFFAOYSA-N 241.128 2.764 0 30 BFAC CCOC(=O)[C@H](C)Cc1ccccc1C 521399625 VAYZZMQSAPAGNY-LLVKDONJSA-N 206.285 2.737 0 30 BFAC CCC[C@H](O)[C@@H](C)C(=O)c1ccccc1 21996951 YTMHKYDVBYQMHR-PWSUYJOCSA-N 206.285 2.666 0 30 BFAC CC(C)(C)OC(=O)N1CCCc2c(N)cccc21 62152993 PBEZTABFYIDAML-UHFFFAOYSA-N 248.326 2.957 0 30 BFAC Oc1cc2c(C(F)(F)F)cccc2cn1 95616418 FYDAYASVSFQNDS-UHFFFAOYSA-N 213.158 2.959 0 30 BFAC Cc1nc2c(Cl)nc(Cl)cc2[nH]1 143902245 UDWDWCHEHZHASZ-UHFFFAOYSA-N 202.044 2.573 0 30 BFAC Cc1cc(Br)ccc1NC1COC1 82487827 OEEIWCCPKPNQOP-UHFFFAOYSA-N 242.116 2.568 0 30 BFAC Cc1ccc2c(c1)[C@@H](N)CC1(CCC1)O2 95616530 RUNVSOMNFPRONY-NSHDSACASA-N 203.285 2.700 0 30 BFAC CC(C)c1cc(I)ccn1 141956135 VBEUGGKTGMMKBS-UHFFFAOYSA-N 247.079 2.810 0 30 BFAC O=C(N1CCCc2ccccc21)C(F)(F)F 173364 XLGFUYHYKNMRQQ-UHFFFAOYSA-N 229.201 2.528 0 30 BFAC CCC(=O)N1C(=O)O[C@H](c2ccccc2)[C@H]1C 391238 ZMRFZBKROHCLIL-SKDRFNHKSA-N 233.267 2.505 0 30 BFAC Cc1cc(C)c2cc(C(=O)O)c(C)nc2c1 32099258 XKRJSXZTFXNQJY-UHFFFAOYSA-N 215.252 2.858 0 30 BFAC c1ccc(-c2n[nH]c(-c3ccco3)n2)cc1 40174243 POZTVAYJBZIQQT-UHFFFAOYSA-N 211.224 2.732 0 30 BFAC CCOC(Cc1ccccc1F)OCC 43502995 FAJUYWODIOTJMT-UHFFFAOYSA-N 212.264 2.767 0 30 BFAC C[C@@H]1Cc2c(F)cc(Br)cc2C1=O 86718104 KLPCRILKSWGTQF-RXMQYKEDSA-N 243.075 2.963 0 30 BFAC C[C@@]12C=C[C@@]3(CN(c4ccccc4)C[C@H]3C1)O2 142741172 UKYAGPUDJMRSLC-YUELXQCFSA-N 227.307 2.610 0 30 BFAC C[C@@H]1CN(C)c2cc(Cl)ccc2C1=O 5141604 KDBHLDQRLXPURK-SSDOTTSWSA-N 209.676 2.609 0 30 BFAC Oc1ccc2c(c1)C[C@@H](Cc1ccncc1)C2 13554839 OQVIVKTTYYDAGR-LBPRGKRZSA-N 225.291 2.745 0 30 BFAC Cc1cc(Nc2ccc(O)cc2)c(N)cc1N 33611172 VDGHWKVBYSUBOM-UHFFFAOYSA-N 229.283 2.609 0 30 BFAC CCCCCCOCCOCCOCC 5511901 HQUNMWUTHYTUPO-UHFFFAOYSA-N 218.337 2.636 0 30 BFAC O=c1cc(-c2ccc(F)cc2)oc2cccnc12 33893955 DKQPBZKDZUUAEG-UHFFFAOYSA-N 241.221 2.994 0 30 BFAC O=C(O)[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 70673643 UGUJBBPWDUGJLX-ZJUUUORDSA-N 226.659 2.502 0 30 BFAC COC(=O)c1cc(-c2cccc3c2CCC3)no1 260213962 GKVTXQUSUBTBMD-UHFFFAOYSA-N 243.262 2.617 0 30 BFAC CO[C@](C)(CN)C1CCC(C(C)C)CC1 1535694634 WFFQUKNPWFEAJA-WXRRBKDZSA-N 213.365 2.813 0 30 BFAC O[C@@H](c1cc(Cl)nc(Cl)c1)C(F)(F)F 1536092083 QMLZPLUGIKOCOA-LURJTMIESA-N 246.015 2.984 0 30 BFAC Cc1ccc(NC2CCOCC2)cc1F 36304065 TZBATRFLOXWPFG-UHFFFAOYSA-N 209.264 2.725 0 30 BFAC CCOP(=O)(N[Si](C)(C)C)OCC 195803337 WJUDWKTVELXFIW-UHFFFAOYSA-N 225.301 2.592 0 30 BFAC O=C(O)[C@@H]1CCc2cc(Cl)cc(Cl)c2O1 2265360976 CDRVIQKBHRDFTL-QMMMGPOBSA-N 247.077 2.772 0 30 BFAC CCN(CC)CCOCCc1ccc(C)cc1 3610860 CPPDIJZHSLXILD-UHFFFAOYSA-N 235.371 2.896 0 30 BFAC COC(=O)CCCCCOc1ccccc1 21995997 VFNRHALHCNQDBN-UHFFFAOYSA-N 222.284 2.799 0 30 BFAC CC(C)OC(=O)C(C)(C)Oc1ccccc1 33606247 CRHGSXZRDVJBLL-UHFFFAOYSA-N 222.284 2.796 0 30 BFAC Cc1ccc2c(c1)CNCC21CCCC1 57490998 SJXXFGQBGXWHCL-UHFFFAOYSA-N 201.313 2.910 0 30 BFAC c1csc([C@@H]2CNCC3(CCCC3)O2)c1 83460683 HNHXUCYPSYNCMQ-JTQLQIEISA-N 223.341 2.722 0 30 BFAC Nc1ncc(Cl)c(Oc2ccccc2)n1 87842438 XDEVHJZKBZDSHO-UHFFFAOYSA-N 221.647 2.505 0 30 BFAC CC1(C)NCC[C@@H]1c1ccc(F)c(F)c1 51954832 IHFFCSQPJZRAHI-SECBINFHSA-N 211.255 2.820 0 30 BFAC OC1(Cc2ccc(Br)cc2)CC1 54346118 MEJMNPNMLAZIBP-UHFFFAOYSA-N 227.101 2.517 0 30 BFAC CC(C)CC[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 100087420 OAJJYJXUTGGAPX-NNYUYHANSA-N 208.301 2.946 0 30 BFAC CC(C)(C)OC(=O)NCC[C@H]1CCCC(=O)C1 307308126 DYUIGQBDMFJAJI-SNVBAGLBSA-N 241.331 2.661 0 30 BFAC CC(C)C(=O)O[C@@H]1C=C[C@H]2[C@H]3CC[C@@H](C3)[C@H]12 309158807 XEWHAZXTDUYYBY-NWBUJAPZSA-N 220.312 2.786 0 30 BFAC Cc1cc(Br)c(F)cc1[C@H](C)N 950697795 NEAMCMNMBCYVTR-LURJTMIESA-N 232.096 2.916 0 30 BFAC CCOC(=O)c1cn2ccc3ccccc3c2n1 13281678 SJPJZLTUCNZIHN-UHFFFAOYSA-N 240.262 2.664 0 30 BFAC Cc1ccccc1-c1cc(Cl)ncc1C(N)=O 21997399 DDAOMKMMERKCQQ-UHFFFAOYSA-N 246.697 2.809 0 30 BFAC Cc1c(F)cccc1N[C@@H]1CCO[C@H]1C 96034086 CIMIYNZAUYZLTD-JOYOIKCWSA-N 209.264 2.723 0 30 BFAC in-vitro O=C(O)C(F)(F)c1cccc(F)c1Cl 1536111487 VAJVTFIIZYGLGP-UHFFFAOYSA-N 224.565 2.656 0 30 BFAC NC(=O)c1ccccc1Sc1ccccc1 84968 CPTFVDLLWNPUGJ-UHFFFAOYSA-N 229.304 2.937 0 30 BFAC Cc1cccc2cc3c(cc12)C(=O)C=C(O)C3=O 32263875 QDPQNZHVSUVGHW-UHFFFAOYSA-N 238.242 2.969 0 30 BFAC S=C1CCCN1CCc1ccccc1 39124830 AXNMHQREHWWYIX-UHFFFAOYSA-N 205.326 2.652 0 30 BFAC C[C@@H](N)c1csc(Br)c1 83285818 RLFXHTLBJJTECS-SCSAIBSYSA-N 206.108 2.530 0 30 BFAC CCC(=O)O[C@@]1(c2ccccc2)CCN(C)[C@H]1C 4214191 LUKSBMJXPCFBKO-WFASDCNBSA-N 247.338 2.559 0 30 BFAC in-man CCCC[C@H](CC)COCCCNCCCN 5822141 BUTDSIPPSDVHKV-AWEZNQCLSA-N 244.423 2.548 0 30 BFAC CC(=O)C1=CN(C(C)=O)C=C[C@H]1c1ccccc1 36373748 DVSNYWIVODISNY-AWEZNQCLSA-N 241.290 2.619 0 30 BFAC CC[C@H](N)COc1c(C)cc(C)cc1C 39105586 FHUXTNTUEVVVBW-LBPRGKRZSA-N 207.317 2.728 0 30 BFAC Cc1ccc(Br)c2c1CCN2 134216790 LBACLEBTPVOXRQ-UHFFFAOYSA-N 212.090 2.726 0 30 BFAC O=C(Oc1ccc(-c2csnn2)cc1)C1CC1 106873 XKVMCVYMUPOOFR-UHFFFAOYSA-N 246.291 2.521 0 30 BFAC Cc1cc(Br)ccc1[C@H](C)O 125752997 VSWSYSAPIMMMDL-ZETCQYMHSA-N 215.090 2.811 0 30 BFAC CCOC(=O)c1scc(Br)c1C 145619026 BYPDJDUQFBZTNI-UHFFFAOYSA-N 249.129 2.996 0 30 BFAC C[C@@H](CC(=O)O)n1ccc2ccccc21 5141496 CRBDMBOXRGTJDX-VIFPVBQESA-N 203.241 2.677 0 30 BFAC CNC(=O)[C@]1(C(C)C)CCCCC[C@H]1C 6030844 GAARKGMVKQICJE-YPMHNXCESA-N 211.349 2.975 0 30 BFAC CN(C)c1ccc(-n2cc[nH]c2=S)cc1 36335670 IZNDLSJNPVIPFQ-UHFFFAOYSA-N 219.313 2.601 0 30 BFAC in-vitro NC[C@H](OC1CCC1)c1cccc(Cl)c1 50519286 FRCWFEVMKIVOFJ-LBPRGKRZSA-N 225.719 2.909 0 30 BFAC O=C(O)[C@H](CC(F)(F)F)c1cccc(F)c1 86366426 JOKVCCAFIYAFTO-MRVPVSSYSA-N 236.164 2.946 0 30 BFAC Cc1cccc(C)c1C(=O)OCCN1CCCC1 2020832 PPNRGAWIOVQCBT-UHFFFAOYSA-N 247.338 2.556 0 30 BFAC in-vivo Cc1c(C)c(C#[N+][O-])c(C)c(C)c1C#N 118897273 LCUAYDFHPYQLPT-UHFFFAOYSA-N 200.241 2.971 0 30 BFAC CCNC(=O)[C@@]1(C(C)C)CCCC[C@H]1C 33506977 BSMQCLSXMDMBAV-DGCLKSJQSA-N 211.349 2.975 0 30 BFAC OC1(c2ccc(Br)c(F)c2)CC1 54346616 RWANOCLSGHFUPV-UHFFFAOYSA-N 231.064 2.570 0 30 BFAC in-vitro C[C@H]1COC(c2ccccc2Br)=N1 199854395 FYFTZTGJMKFOOU-ZETCQYMHSA-N 240.100 2.614 0 30 BFAC OCC(F)(F)c1ccc(C(F)(F)F)cc1 258357311 WXHYRKUXUVQSIA-UHFFFAOYSA-N 226.144 2.790 0 30 BFAC CC(C)(C)[C@@H]1CCc2nc(C(=O)O)sc2C1 86518040 KTAPTNLGBNQNNY-SSDOTTSWSA-N 239.340 2.992 0 30 BFAC Oc1cccc2nccc(Br)c12 95935548 HUZBXSHQNBAZTJ-UHFFFAOYSA-N 224.057 2.703 0 30 BFAC Cc1ccc(C2CN(C(=O)OC(C)(C)C)C2)nc1 91353102 WQCIVIVOLFIKDA-UHFFFAOYSA-N 248.326 2.724 0 30 BFAC Nc1ccc(Cl)c(F)c1Br 575719753 IOOHLHPTFHYPSD-UHFFFAOYSA-N 224.460 2.824 0 30 BFAC Clc1ccc2nc(Cl)c3cncn3c2n1 90493948 MKUKWQYYNGRIOE-UHFFFAOYSA-N 239.065 2.584 0 30 BFAC C[C@@H](CO)CO[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 256091464 YCOHHRPARVZBHK-FMCLSXCISA-N 226.360 2.846 0 30 BFAC CCCCCC[C@@H](O)CCOC(=O)C(C)C 5820573 BKLLEFBQDROZNE-GFCCVEGCSA-N 230.348 2.907 0 30 BFAC CC(=O)O[C@]1(C)CCC[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]21 256500085 HSLYLHLFKJXFCS-ODXJTPSBSA-N 220.312 2.930 0 30 BFAC N[C@H]1CN(Cc2ccccc2)C2(CCCC2)C1 1554770473 LOKQKEKVEZJMDA-CQSZACIVSA-N 230.355 2.532 0 30 BFAC CSC1=NC(C)(C)CCC(C)(C)N1 150182 GTJYCOSSMNZWMW-UHFFFAOYSA-N 200.351 2.646 0 30 BFAC CC(=O)Oc1cccc(Cl)c1Cl 2382694 UGURLMCNLGTRCL-UHFFFAOYSA-N 205.040 2.919 0 30 BFAC CCCN(CCC)[C@@H]1COc2ccc(O)cc2C1 5647677 COYBCQFIVNQGKW-ZDUSSCGKSA-N 249.354 2.818 0 30 BFAC Cc1cc2c(Br)cccc2c(=O)[nH]1 82767344 JMBXDTPFZIXEPB-UHFFFAOYSA-N 238.084 2.599 0 30 BFAC O=C(C[C@H]1CCC[C@@H]1C(=O)O)c1ccccc1 83328603 FUYQQVMUACOFNJ-NEPJUHHUSA-N 232.279 2.760 0 30 BFAC CCOC(=O)c1c[nH]c(-c2ccccc2F)c1 96304392 KXQMTNMMOMBDLC-UHFFFAOYSA-N 233.242 2.998 0 30 BFAC Cc1ccc(C)c(CC2CCNCC2)c1 8549707 BIBFFFKIOBFLSN-UHFFFAOYSA-N 203.329 2.846 0 30 BFAC CC[C@@H](C)C(=O)OCCc1cccs1 33637148 XSDPFNMJFNZEIN-SECBINFHSA-N 212.314 2.880 0 30 BFAC NCC1CC(c2ccc(Br)cc2)C1 84055047 STNZDOOTIDNJSP-UHFFFAOYSA-N 240.144 2.901 0 30 BFAC C[C@@H](OCc1ccccc1)C(=O)C(F)(F)F 238855412 RPGNAVCEQVDRDC-MRVPVSSYSA-N 232.201 2.723 0 30 BFAC FC1(F)CNc2ccccc2SC1 1535054670 QIYKUMMDHLXUIV-UHFFFAOYSA-N 201.241 2.840 0 30 BFAC CCOC(=O)C1=C(OCC)C=C(C)CC1 39099749 LRROEZMENDUCPB-UHFFFAOYSA-N 210.273 2.580 0 30 BFAC CCn1c(=O)c2cccn2c2ccc(C)cc21 39102600 VDPMEANRKOVOGY-UHFFFAOYSA-N 226.279 2.583 0 30 BFAC Nc1nn(C2CCCCC2)cc1Br 40516113 AYCFPVHMYBRJLW-UHFFFAOYSA-N 244.136 2.733 0 30 BFAC CC[C@@H](CN)n1cnc2cc(C)c(C)cc21 43540933 VYTKFOWYAXCVOL-NSHDSACASA-N 217.316 2.563 0 30 BFAC CC(C)(F)c1cc(C(=O)O)ccc1F 214213622 YYWNURYWAOOIMM-UHFFFAOYSA-N 200.184 2.729 0 30 BFAC CC(C)(C)C(=O)Nc1cccc(-c2nnco2)c1 106968 ZYUJIUOYCKHSFO-UHFFFAOYSA-N 245.282 2.721 0 30 BFAC O=C(Sc1ccccc1)c1cccc(=O)o1 107433 VQUVPPJFCVSLBS-UHFFFAOYSA-N 232.260 2.572 0 30 BFAC Cc1nc(-c2ccccn2)nc(N(C)C)c1Cl 6469901 UWTMTSMDQQWREF-UHFFFAOYSA-N 248.717 2.566 0 30 BFAC COc1ccc(-c2cccc(N)c2)cc1OC 32002972 UEEQIMJOHONHML-UHFFFAOYSA-N 229.279 2.953 0 30 BFAC COc1cccc(N)c1-c1c(N)cccc1OC 38272748 MHGIMBOAHLGZQQ-UHFFFAOYSA-N 244.294 2.535 0 30 BFAC COC(=O)[C@@H](C)c1ccc2ccccc2n1 98210027 IAYFPOZMSYZJRQ-VIFPVBQESA-N 215.252 2.511 0 30 BFAC in-vitro Cc1c(N)cccc1CNC(=O)OC(C)(C)C 147789268 RNACIMILHGHUIR-UHFFFAOYSA-N 236.315 2.602 0 30 BFAC COc1ccc(/C=C/C(=O)OC(C)C)cc1 1633885 XATKDVHSLQMHSY-RMKNXTFCSA-N 220.268 2.660 0 30 BFAC N[C@@H](CC(F)(F)F)c1ccc(F)cc1 19415267 NDHCCNONCRFSGK-QMMMGPOBSA-N 207.170 2.778 0 30 BFAC in-vitro CC1(C)C(=O)C(O)=C(Br)C1(C)C 31302568 ZAUGLWIVUJBQBG-UHFFFAOYSA-N 233.105 2.786 0 30 BFAC O=C(O)[C@@H](F)c1ccc(C(F)(F)F)cc1 34770872 SNSVFEGAHSFELK-ZETCQYMHSA-N 222.137 2.801 0 30 BFAC in-vitro Cc1cc(=O)c2ccc(OC(F)(F)F)cc2[nH]1 41702246 WQCHNKFJKTTZDK-UHFFFAOYSA-N 243.184 2.735 0 30 BFAC C[C@@H]1CC[C@@H](N)[C@@H](OCc2ccccc2)C1 220176117 UGYBEWNJUUMWOL-BNOWGMLFSA-N 219.328 2.719 0 30 BFAC Brc1cnc(C2CCC2)o1 238037198 CLRRULLYLPNBLD-UHFFFAOYSA-N 202.051 2.705 0 30 BFAC CS[C@@H]1C(=O)Nc2ccc3ncsc3c21 15809727 CDDAPLGLEUDMCX-VIFPVBQESA-N 236.321 2.653 0 30 BFAC in-vitro CCO[C@@H]1CCC(=O)[C@@H]2[C@@H](C)CCC[C@@H]12 32146972 NKDMBSLBBOPVHR-YRRQLQLVSA-N 210.317 2.807 0 30 BFAC NC(=O)/C(=C\c1cccs1)c1ccsc1 108067 FOKLVOVSDXOVCG-POHAHGRESA-N 235.333 2.836 0 30 BFAC N[C@H](c1cccc(OC(F)(F)F)c1)C1CC1 61703544 SKFFZVPWHBHILQ-JTQLQIEISA-N 231.217 2.995 0 30 BFAC CCc1ccccc1C(=O)[C@@H]1CCC[C@@H]1C(=O)O 91676013 MYSXYDPFDGUBOD-OLZOCXBDSA-N 246.306 2.933 0 30 BFAC COC(=O)Cc1ccc(-c2ccc(N)cc2)cc1 98180699 GPTLUTMRKHAYDC-UHFFFAOYSA-N 241.290 2.651 0 30 BFAC Fc1ccc([C@@H]2CC(F)(F)CCN2)cc1 215763578 CLEUNRCGHFSUAV-JTQLQIEISA-N 215.218 2.886 0 30 BFAC Cc1cc(C)n(-c2ccc([C@@H](C)N)cc2F)n1 19872887 VEAQAAHHXLSNBA-SNVBAGLBSA-N 233.290 2.648 0 30 BFAC in-vitro COC(=O)c1ccc(-c2ccns2)cc1 95616562 FJGRSUFKTHFUNK-UHFFFAOYSA-N 219.265 2.597 0 30 BFAC O=C(Nc1cccc2ncccc12)C(F)(F)F 111888485 IZURJZDWDRFVTP-UHFFFAOYSA-N 240.184 2.736 0 30 BFAC Cc1cc2c(cc1Br)OCCC2=O 238540248 QHMGUUVXVCGCLI-UHFFFAOYSA-N 241.084 2.723 0 30 BFAC COC(=O)C[C@@H](O)c1ccc(Cl)cc1Cl 1536174893 FNVQDTROGWTBIU-SECBINFHSA-N 249.093 2.590 0 30 BFAC CC(C)CCCCCOCCCNCCCN 5758455 HEVQBLROGBPURW-UHFFFAOYSA-N 244.423 2.548 0 30 BFAC Fc1ccccc1-c1cn2cccnc2n1 42829004 BTWUUEPZIFCXSA-UHFFFAOYSA-N 213.215 2.535 0 30 BFAC Fc1ccc(-n2nccc2Br)cc1 90225744 CGSUENPUMUSDNX-UHFFFAOYSA-N 241.063 2.774 0 30 BFAC in-vitro CCOC(=O)c1cc2c([nH]1)[C@H]1CC[C@H]2C1 116054468 OSZBGPFIVYDTBS-YUMQZZPRSA-N 205.257 2.556 0 30 BFAC CC(C)CCN(CCC(C)C)[N+](=O)[O-] 139071683 QSWRAWDKYPZPPK-UHFFFAOYSA-N 202.298 2.572 0 30 BFAC O[C@@H](CF)c1ccc(C(F)(F)F)cc1 958679857 HIWNOROGPPYREN-QMMMGPOBSA-N 208.154 2.708 0 30 BFAC COC(=O)Cc1cccc(-c2cccc(N)c2)c1 98180673 IAAHGDFSVPBOQN-UHFFFAOYSA-N 241.290 2.651 0 30 BFAC C[C@H](CO)CO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 256091467 YCOHHRPARVZBHK-NRWUCQMLSA-N 226.360 2.846 0 30 BFAC FC(F)(F)c1ccc2cc3c(cc2n1)OCO3 37593641 JRBDSWOYIXUXCV-UHFFFAOYSA-N 241.168 2.982 0 30 BFAC Cc1cccc(NCC(=O)c2ccccc2)n1 39114742 GIDVZFRYJVWHCH-UHFFFAOYSA-N 226.279 2.685 0 30 BFAC CCOC(=O)[C@@H](CC=Cc1ccccc1)C(C)=O 2265269959 CWQNCOQPLICNMH-AWEZNQCLSA-N 246.306 2.858 0 30 BFAC OC1(O)CCCCCCCCCCC1 33506130 MGBBJDOYTDFYHH-UHFFFAOYSA-N 200.322 2.972 0 30 BFAC C[C@@](N)(CC(F)(F)F)c1ccccc1 406012439 WPEDTWZTTCGSBT-SECBINFHSA-N 203.207 2.813 0 30 BFAC C[C@]1(Cl)C[C@@H](c2ccccc2)OC1=O 5736263 IVPWPXOKZYCQNZ-ONGXEEELSA-N 210.660 2.672 0 30 BFAC Cc1ccc(NC[C@@H](C)CN(C)C)cc1 32209964 PYBGYAXYLGTHOK-GFCCVEGCSA-N 206.333 2.605 0 30 BFAC O=C(O)c1cc(F)cc(-c2ccccn2)c1 232244287 QYTQHZNGEJNCMN-UHFFFAOYSA-N 217.199 2.586 0 30 BFAC CCOC(=O)CCc1ccc(CC)cc1 39101141 AGFKWIGAUOFUBT-UHFFFAOYSA-N 206.285 2.745 0 30 BFAC Cc1ccccc1[C@H](N)CC(F)(F)F 42413264 JXJAALSYZOMVIF-SECBINFHSA-N 203.207 2.947 0 30 BFAC in-vitro O=C(O)[C@H](CC(F)F)c1ccccc1 72266619 PHHJOFMVWMGXNH-MRVPVSSYSA-N 200.184 2.510 0 30 BFAC Brc1ccc2c(c1)NCC1(CC1)O2 95093122 MEKWQPBFYRGZDS-UHFFFAOYSA-N 240.100 2.786 0 30 BFAC Cc1cc(C)c(Br)cc1O 95883714 QKHNPALIFLTMJG-UHFFFAOYSA-N 201.063 2.772 0 30 BFAC in-vitro Cc1ccc(-n2ncc(N)c2C(C)C)cc1 85634276 WQHWRPZHOXYLIP-UHFFFAOYSA-N 215.300 2.886 0 30 BFAC in-vitro O=C(O)[C@@H]1C2C[C@H]3C4CC5C[C@@H]3C1[C@H](C5)[C@H]4C2 2246339526 ITYGSFVLZZPKCH-JFYHOYIVSA-N 232.323 2.635 0 30 BFAC CNc1ccc(Cl)cc1C(=O)NC(C)(C)C 145183 FLZQXHYXQYXGGS-UHFFFAOYSA-N 240.734 2.910 0 30 BFAC N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F 72195195 WKURNLWGWJCHGM-SSDOTTSWSA-N 241.159 2.850 0 30 BFAC in-vitro O=[N+]([O-])c1cc(F)c(C(F)(F)F)cc1F 396115644 IHXOEWLOZMHVRE-UHFFFAOYSA-N 227.088 2.892 0 30 BFAC CCOC(=O)[C@H]1[C@H]2c3cccc(Cl)c3C[C@H]21 521399610 MYVRUTSAZYJHCF-ADEWGFFLSA-N 236.698 2.789 0 30 BFAC Cc1cccnc1NCC(=O)c1ccccc1 39110924 BNTRDCIYPFDPKY-UHFFFAOYSA-N 226.279 2.685 0 30 BFAC O=C(O)[C@@H]1CCc2cccc3cccc1c23 96331983 BOQJPTHKYBFYIX-GFCCVEGCSA-N 212.248 2.954 0 30 BFAC CCC(=O)O[C@@H]1C[C@H]2C[C@H]1[C@H]1C=CC[C@H]21 212560012 ZPFJBPIFMMENKC-LDMBFOFVSA-N 206.285 2.540 0 30 BFAC Nc1nsc(-c2ccc(C(F)(F)F)cc2)n1 70838949 IOGCEEIXBYFPBZ-UHFFFAOYSA-N 245.229 2.806 0 30 BFAC CC(C)C(C)(C)I 114050794 PRNFUXYRTWHXNG-UHFFFAOYSA-N 212.074 2.856 0 30 BFAC COC(=O)Nc1cc(OC)cc(C(F)(F)F)c1 142294 JEBSACJPIOZOAI-UHFFFAOYSA-N 249.188 2.892 0 30 BFAC O=C1NC[C@@H](c2ccccc2)Oc2ccccc21 173743 UADLSBYXTMUWIV-AWEZNQCLSA-N 239.274 2.550 0 30 BFAC CCOC(=O)[C@]1(C(C)=O)CC=C(C)C[C@@H]1C 5857164 IBMDADQQJZKLJI-GXFFZTMASA-N 224.300 2.501 0 30 BFAC COc1ccc2oc(C(=O)O)c(Cl)c2c1 95616689 WLQGLKPURMPWNA-UHFFFAOYSA-N 226.615 2.793 0 30 BFAC CN(C)[C@@H]1[C@@H]2C=CC[C@@H]1c1ccccc1C2 104947854 KUBLWHSLTUANRG-BPLDGKMQSA-N 213.324 2.833 0 30 BFAC Cc1ccc(Br)c2c1[C@H](N)CC2 238532711 DCNGCEYJTBUHJS-SECBINFHSA-N 226.117 2.704 0 30 BFAC COc1ccc(NCc2ccc[nH]2)cc1 157672 NKLZMNXWRKKVDW-UHFFFAOYSA-N 202.257 2.635 0 30 BFAC COc1ccc(C(=O)OCCC(C)C)cc1 5759086 FVMBSMBXEVMMGH-UHFFFAOYSA-N 222.284 2.898 0 30 BFAC endogenous,in-man C[C@@H]1CC[C@H](N)[C@@H](N2CCc3ccccc3C2)C1 20282587 LTPYDUURZCTDIC-KCXAZCMYSA-N 244.382 2.561 0 30 BFAC Cc1sc(N)c(C(=O)OC(C)(C)C)c1C 21982484 WETGDVFITDZHRC-UHFFFAOYSA-N 227.329 2.902 0 30 BFAC CC(C)[C@]1(C(=O)N(C)C)CCCC[C@H]1C 33507050 ZNXSLRIBKWBICP-DGCLKSJQSA-N 211.349 2.927 0 30 BFAC CC(C)(C)OC(=O)N1CCCCCCO1 39325693 LKFOJDYFJRRXGM-UHFFFAOYSA-N 215.293 2.729 0 30 BFAC COc1cccc(C[C@H](O)c2ccccc2)c1 40243995 FPRARTRWKLFGES-HNNXBMFYSA-N 228.291 2.971 0 30 BFAC in-vitro COC(=O)c1cc2ccc(Cl)c(F)c2[nH]1 140068090 IMYKCTSTNUIUPI-UHFFFAOYSA-N 227.622 2.747 0 30 BFAC CCN(CC)c1ccc(N)c2cnccc12 57460448 ZGHUDTKCUYMRCJ-UHFFFAOYSA-N 215.300 2.663 0 30 BFAC in-vitro C[C@@]12C=C[C@@]3(CN(c4ccccc4)C[C@@H]3C1)O2 142741562 UKYAGPUDJMRSLC-CFVMTHIKSA-N 227.307 2.610 0 30 BFAC Cc1nc(O)c2c(C(F)(F)F)cccc2n1 328578684 SGWJKLXOUKNSFY-UHFFFAOYSA-N 228.173 2.663 0 30 BFAC CCc1ncc(OC)c2c1[nH]c1c(O)cccc12 15118733 BKAUNKSTECWQGT-UHFFFAOYSA-N 242.278 2.993 0 30 BFAC biogenic CCOC(=O)c1cc2ccc(F)cc2nc1C 32099630 WZHYAYYENAGSMB-UHFFFAOYSA-N 233.242 2.859 0 30 BFAC CCOc1nc2c(OC)cccc2s1 45237218 CFPQMXOHJFGNNC-UHFFFAOYSA-N 209.270 2.704 0 30 BFAC O=Cc1cccc(-c2ccnc(F)c2)c1 116268307 STYXMEYGDLSFHS-UHFFFAOYSA-N 201.200 2.700 0 30 BFAC O=C(O)[C@H]1CC[C@@H]1n1cc(-c2ccccc2)cn1 129458690 SVRPQELBVVTWSW-STQMWFEESA-N 242.278 2.586 0 30 BFAC c1cc(NC2=NCCO2)c2c3c1CC[C@H]3CCC2 1852156 SSLMZEDSHZQGQP-SNVBAGLBSA-N 242.322 2.851 0 30 BFAC c1ccc2c(c1)CCN[C@@H]2c1nc2ccccc2[nH]1 43594349 MXBOWFNYTXFRNB-HNNXBMFYSA-N 249.317 2.798 0 30 BFAC Nc1cccc2c1ccn2CC(F)(F)F 70569157 GZDYGNBBLFTFLY-UHFFFAOYSA-N 214.190 2.786 0 30 BFAC Cc1cc(C)c(CC(=O)O)c(C)c1Cl 82725031 OMQYTUHDWJJRJF-UHFFFAOYSA-N 212.676 2.892 0 30 BFAC Cc1ccc(-c2nc(CCO)c(C)s2)cc1 90729612 WYBNHGNKCASDED-UHFFFAOYSA-N 233.336 2.962 0 30 BFAC FC(F)(F)c1nc(Cl)cnc1Cl 95774813 OGOVNIPATHKPRH-UHFFFAOYSA-N 216.977 2.802 0 30 BFAC Sc1nnc(-c2ccoc2)n1-c1ccccc1 136039687 IWNFTQMGYRHXPE-UHFFFAOYSA-N 243.291 2.816 0 30 BFAC C[C@H]1CCC(=O)[C@H](OCc2ccccc2)C1 1536221777 CELBBTBBXDIGRT-SMDDNHRTSA-N 218.296 2.961 0 30 BFAC CC1=CC(=O)N(c2ccccc2C(C)(C)C)C1=O 103881 KOOQOKPGDKBJLU-UHFFFAOYSA-N 243.306 2.804 0 30 BFAC C[C@H](Cc1ccc(Cl)cc1Cl)NN(C)C 33639145 NIRZYJXKXJMRPC-MRVPVSSYSA-N 247.169 2.991 0 30 BFAC N[C@@H]1CCN(Cc2c(Cl)cccc2Cl)C1 38539018 KTUOFEDMKVBKOO-MRVPVSSYSA-N 245.153 2.526 0 30 BFAC O=C(O)CCc1cscc1Br 86556433 OHDONTIWPSHQCB-UHFFFAOYSA-N 235.102 2.528 0 30 BFAC O=C(O)/C=C/[C@@H]1CC[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 223682627 PUNQKGMNTJVRLD-QPQPVLHTSA-N 206.285 2.700 0 30 BFAC CNCC[C@H](NC(=O)OC(C)(C)C)C(C)(C)C 675050959 DIELNHWOTDWBPN-JTQLQIEISA-N 244.379 2.535 0 30 BFAC Cc1cccc(C(=O)[C@H]2CCC[C@@H]2C(=O)O)c1 83327594 LCRAIEWQRNEROC-RYUDHWBXSA-N 232.279 2.679 0 30 BFAC N[C@H](c1ccncc1)c1cc2ccccc2o1 20592717 UIAQKLCCGOFKLJ-CQSZACIVSA-N 224.263 2.876 0 30 BFAC in-vitro CC1(C)CC[C@]2(C[C@@H]2CN)c2ccccc21 54588107 GHRYAWYYEOTUMH-IAQYHMDHSA-N 215.340 2.974 0 30 BFAC in-vitro CCCCCCCC[C@@]1(C)O[C@H]1C(=O)O 100299085 GLHDTOZHBNFVQW-CMPLNLGQSA-N 214.305 2.979 0 30 BFAC Cc1c(Br)ccc2c1CC[C@H]2N 210321820 GXDJVRBDDVPNPM-SNVBAGLBSA-N 226.117 2.704 0 30 BFAC CC(C)(CO)c1ccc(Br)c(F)c1 258316116 KQIABMPKBPUBQC-UHFFFAOYSA-N 247.107 2.858 0 30 BFAC CCC[C@H]1CCN(C(=O)OC(C)(C)C)CC1=O 306294100 ALIXNVZRFRJNQI-JTQLQIEISA-N 241.331 2.613 0 30 BFAC CCCCC1=CC(Cl)(Cl)C(=O)O1 238240074 GSQICISVEUXOHK-UHFFFAOYSA-N 209.072 2.791 0 30 BFAC CC1(C)CC(=O)[C@@H]2[C@@H]3OCCC[C@@H]3[C@@]2(C)C1 238790328 NSKPIVOZPLDHHW-LEJCRSTHSA-N 222.328 2.807 0 30 BFAC COc1cccc([C@H]2CCNC2(C)C)c1 51954913 SRLTWORBSKGUEN-GFCCVEGCSA-N 205.301 2.551 0 30 BFAC C[C@@H](NC(=O)OC(C)(C)C)c1nccs1 82610573 OIMUZDGGRUONCX-SSDOTTSWSA-N 228.317 2.729 0 30 BFAC COC(=O)c1ccc2c(C)cccc2c1 138732176 QKENNVNRWMEWOX-UHFFFAOYSA-N 200.237 2.935 0 30 BFAC Brc1c2c(nn1C1CC1)CCCC2 257820317 AQAJTQGDRSBFEN-UHFFFAOYSA-N 241.132 2.859 0 30 BFAC CC(C)(O)[C@H](N)c1ccc(Cl)c(Cl)c1 259343547 JLKBDHSQFUJBKX-SECBINFHSA-N 234.126 2.764 0 30 BFAC CCOC(=O)Cc1ccc(CC(C)C)cc1 5650584 UWULXAQFAQOSSY-UHFFFAOYSA-N 220.312 2.991 0 30 BFAC in-vitro CC(C)(C)OC(=O)c1[nH]c2ccccc2c1N 96327309 YEBHBHGDSDASKQ-UHFFFAOYSA-N 232.283 2.705 0 30 BFAC Cc1ccc(F)cc1C[C@H]1CCCNC1 2555480 SFQUIEKIMLZFCT-LLVKDONJSA-N 207.292 2.676 0 30 BFAC CC(=O)Oc1ccc(C)c2scnc12 45237157 NOYRXHSKFNXEIF-UHFFFAOYSA-N 207.254 2.530 0 30 BFAC O=C(O)c1c(-c2ccccc2)ccc2n[nH]cc12 607717051 ONXVNUWOABXFFU-UHFFFAOYSA-N 238.246 2.928 0 30 BFAC COC(=O)c1c(Cl)ccc2ncccc12 2265360986 OUXQWRYVJKVWPX-UHFFFAOYSA-N 221.643 2.675 0 30 BFAC COc1cc(OC)c2c(c1)[C@@H](C)[C@H](C)C2=O 21989862 FGBFEFJZYZDLSZ-YUMQZZPRSA-N 220.268 2.640 0 30 BFAC COc1ccc(-c2cncc(Cl)n2)cc1 21990862 COHSTPWIJRBMGK-UHFFFAOYSA-N 220.659 2.806 0 30 BFAC C[C@H](CC(=O)O)Sc1cccs1 34381001 SIFFRIHCTBGQTC-ZCFIWIBFSA-N 202.300 2.703 0 30 BFAC CCOC(=O)[C@@H](C/C=C/Cl)C(C)C 34408762 KTYPEEJPWXCWGE-IWGCBNPKSA-N 204.697 2.964 0 30 BFAC CSC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 307150839 UUOXGEUZOOFDAS-JTQLQIEISA-N 245.388 2.997 0 30 BFAC CC(C)(C)OC(=O)N(CCCN)C1CCCC1 34960148 NSRKQLOHZAIWSA-UHFFFAOYSA-N 242.363 2.515 0 30 BFAC CC[C@H](C)[C@H](C(=O)O)N(C)Cc1ccccc1 98044052 UMCNRCSUWIPPOC-WCQYABFASA-N 235.327 2.618 0 30 BFAC CCc1nc2c(C(=O)O)cccc2cc1C 2577931 OEFPPPOUNLZAKJ-UHFFFAOYSA-N 215.252 2.804 0 30 BFAC Cn1ccc(-c2cccc(Br)c2)n1 12370659 PNVHBUUFMMMKBR-UHFFFAOYSA-N 237.100 2.850 0 30 BFAC S=C(NCc1cccnc1)c1ccccc1 97446 DLRDKFCFIJLYLT-UHFFFAOYSA-N 228.320 2.547 0 30 BFAC CCCCC[C@H](OC(C)=O)[C@@H]1CCCO1 5820895 ZCAFBBZXLGOTRK-RYUDHWBXSA-N 214.305 2.677 0 30 BFAC Nc1c(Br)cnc2c(F)cccc12 41702235 VGBXNIFPLUYCGT-UHFFFAOYSA-N 241.063 2.719 0 30 BFAC Cc1cncc(Cl)c1Br 95763740 KFNAWFPDPRFJKR-UHFFFAOYSA-N 206.470 2.806 0 30 BFAC Nc1ccc(C(F)(F)C(F)(F)F)cc1N 143619252 NUNDQGBBQRMUAD-UHFFFAOYSA-N 226.148 2.505 0 30 BFAC CC(C)C(=O)O[C@@H]1C[C@H]2C[C@@H]1[C@H]1C=CC[C@@H]21 299803452 QNEXACLQEWOALO-KSSYENDESA-N 220.312 2.786 0 30 BFAC COCCOc1cccc(Br)c1C 95942402 JGXSFCMNTNVVSG-UHFFFAOYSA-N 245.116 2.783 0 30 BFAC Cn1nc(N2CCCCC2)c2cc(F)ccc21 238790883 RRGQROJKNCFMJK-UHFFFAOYSA-N 233.290 2.703 0 30 BFAC COc1ccc([C@H]2C[C@@H](C)CN2)c(C)c1C 3704413 DMYWBWPJMGFYQI-NOZJJQNGSA-N 219.328 2.983 0 30 BFAC CC(=O)C(C(C)=O)[C@@H](C)c1ccccc1 22004261 GIOIDOXUOMTSDG-VIFPVBQESA-N 204.269 2.584 0 30 BFAC N[C@H]1CCCN(c2cccc(C(F)(F)F)c2)C1 53712847 KDKFBVLCXICBJE-JTQLQIEISA-N 244.260 2.633 0 30 BFAC Nc1cc(-c2cccc(C3CCC3)c2)[nH]n1 258068421 OAMNCOSOKDSLIS-UHFFFAOYSA-N 213.284 2.926 0 30 BFAC O=c1ccc(Br)cc2c1CCCC2 2599182 INQHIJMFDPBBHQ-UHFFFAOYSA-N 239.112 2.688 0 30 BFAC O=C(O)CCCNCc1cccc2ccccc12 4336238 KASSMRGLAONQNF-UHFFFAOYSA-N 243.306 2.794 0 30 BFAC CN(c1nc(Cl)nc2ccccc12)C1CC1 52811466 GFPWHMTYHXAPAU-UHFFFAOYSA-N 233.702 2.882 0 30 BFAC CN[C@H](CCc1ccccc1)C(F)(F)F 82717487 LQFCSPDOZDULRB-SNVBAGLBSA-N 217.234 2.770 0 30 BFAC O=C1CC(CCOCc2ccccc2)C1 88241700 VZNDMIXOMCHKPU-UHFFFAOYSA-N 204.269 2.572 0 30 BFAC CCc1nc2ccccc2c(=O)n1C(C)C 1572238 LLTACGVUKRPIFV-UHFFFAOYSA-N 216.284 2.540 0 30 BFAC COc1ccc(N)c(C(=O)c2ccccc2)c1 35874656 UKDOBSYQTBSUQR-UHFFFAOYSA-N 227.263 2.508 0 30 BFAC in-vitro CCOc1cc(C)nc2c(O)cccc12 39099206 HEJJOUODSJYXNF-UHFFFAOYSA-N 203.241 2.648 0 30 BFAC CCCCC1=C(OCC)[C@@H]1C(=O)OCC 45805891 JMRUBKAHVLQCPB-SNVBAGLBSA-N 212.289 2.660 0 30 BFAC CCOc1cccc([C@H]2CCCC2=O)c1 87334623 KOEXSSPMJMWXBZ-GFCCVEGCSA-N 204.269 2.922 0 30 BFAC CCOC(=O)c1cc2cc(Cl)cnc2o1 396132377 JXASVLQDALNTAS-UHFFFAOYSA-N 225.631 2.658 0 30 BFAC C[Si](C)(C)c1ccc(Br)nc1F 584879896 LJWABYNYSGASQP-UHFFFAOYSA-N 248.171 2.528 0 30 BFAC Cc1ccc(C=Cc2ccc(O)nn2)cc1 2265233847 PIAGLTZTUCTOFR-UHFFFAOYSA-N 212.252 2.661 0 30 BFAC Cc1cccc(C)c1NC(=O)[C@H](C)N1CCCC1 66315 MGBIINXEYXQNSC-ZDUSSCGKSA-N 246.354 2.726 0 30 BFAC O=C(O)C1=C[C@@]2(CCNc3ccccc3C2)CC1 22114120 UJGOKTVNHDTZTN-OAHLLOKOSA-N 243.306 2.836 0 30 BFAC CCSCCCNC(=O)OC(C)(C)C 39094129 WHOXNZSWOWBCJQ-UHFFFAOYSA-N 219.350 2.654 0 30 BFAC CCO[C@@H]1C=CC=CN1c1ccccc1 39099020 KEOHRLBRIQOTPL-CYBMUJFWSA-N 201.269 2.939 0 30 BFAC Cc1ccncc1-c1cc(N)cc(F)c1 39105108 MULBAHMTLUZJPU-UHFFFAOYSA-N 202.232 2.778 0 30 BFAC COc1ccc2ccnc(Cl)c2c1OC 71482431 UANFECHFQFRRCB-UHFFFAOYSA-N 223.659 2.905 0 30 BFAC CCOC(=O)Cc1cscc1Br 86556421 FYKINVHOLOJQML-UHFFFAOYSA-N 249.129 2.616 0 30 BFAC Cc1cc2c(cc1Br)CC[C@@H]2N 238488365 RYTXRZLTTUAYHC-JTQLQIEISA-N 226.117 2.704 0 30 BFAC OCCO[C@@H]1CCCC[C@@H]1c1ccccc1 1599120 QZOQCWFGFMUAMB-ZIAGYGMSSA-N 220.312 2.722 0 30 BFAC biogenic OCc1ccc(-c2cccc(O)c2)cc1 65339935 SOMFSJLKUBAQEW-UHFFFAOYSA-N 200.237 2.552 0 30 BFAC CN[C@H]1CCc2cc(Br)ccc2C1 82491245 HLHBGIWMLLVEGK-NSHDSACASA-N 240.144 2.526 0 30 BFAC O=C(O)[C@H]1CCC[C@@H]1C(=O)c1ccc(F)cc1 83328537 NHQQJKKAHSUBRB-QWRGUYRKSA-N 236.242 2.509 0 30 BFAC CCOC(=O)c1cnc(C)nc1-c1ccccc1 8700230 DNDJARWVBDEYEW-UHFFFAOYSA-N 242.278 2.629 0 30 BFAC CCO[C@H]1C(Br)=CC2CC1C2 39100302 VWZXBEKLONOPRI-QXUHLLMWSA-N 217.106 2.710 0 30 BFAC Cc1c(C(=O)O)ccc2sc(Cl)nc12 59637072 DACQGCCPERVXTI-UHFFFAOYSA-N 227.672 2.956 0 30 BFAC Cc1cc(Br)c([C@@H](C)O)s1 83678986 UGGBGAQROGIAOC-RXMQYKEDSA-N 221.119 2.872 0 30 BFAC COC(=O)c1cc(Cl)nc2ccc(C)cc12 95616720 QHPIXPXCKICHHF-UHFFFAOYSA-N 235.670 2.983 0 30 BFAC Cc1ncc(Br)cc1OC(F)F 95883930 BSSKMVWHRJFVNT-UHFFFAOYSA-N 238.031 2.754 0 30 BFAC in-vitro O=C(c1ccc(Br)o1)C(F)(F)F 96919108 HIYWTEKPYGTAGN-UHFFFAOYSA-N 242.978 2.787 0 30 BFAC Cc1sc(Cl)cc1S(=O)(=O)Cl 101239223 DHBNCOJCAHYKBT-UHFFFAOYSA-N 231.125 2.637 0 30 BFAC FCOc1ccc(Br)cc1 2510822 FMDUHUXZJVYFIV-UHFFFAOYSA-N 205.026 2.755 0 30 BFAC c1cncc(-c2ccc3cccnc3n2)c1 5162175 XGAUSERZHDQTNB-UHFFFAOYSA-N 207.236 2.692 0 30 BFAC CN(C)[C@H]1CCc2ccc3[nH]ccc3c2C1 5965209 HENBLLXAHPTGHX-NSHDSACASA-N 214.312 2.587 0 30 BFAC N=C(N)c1ccccc1OCc1cccc(F)c1 19513931 NDMXUMHAOIDUGF-UHFFFAOYSA-N 244.269 2.689 0 30 BFAC CC(C)(C)OC(=O)CCc1ccccc1 68813364 ZOJRGDRNISZTQS-UHFFFAOYSA-N 206.285 2.961 0 30 BFAC CCc1ccnc(NC(=O)c2cccs2)c1 148392 XMGSGEBTYXZJPN-UHFFFAOYSA-N 232.308 2.958 0 30 BFAC CC(C)COC(=O)c1ccccc1N(C)C 5138251 KWNYRTDLTSGITQ-UHFFFAOYSA-N 221.300 2.565 0 30 BFAC N[C@@H](c1ccncc1)c1cc2ccccc2o1 20592716 UIAQKLCCGOFKLJ-AWEZNQCLSA-N 224.263 2.876 0 30 BFAC in-vitro CC(=O)c1ncccc1OCc1ccccc1 98180801 PTYNFLFMHHBKEJ-UHFFFAOYSA-N 227.263 2.863 0 30 BFAC CCNC(=S)N([Si](C)(C)C)[Si](C)(C)C 195778894 GEFCXCKTXCTJNC-UHFFFAOYSA-N 248.544 2.853 0 30 BFAC CCSCCCN1CCCC1=S 39124782 KGVOWPWRLIUDOC-UHFFFAOYSA-N 203.376 2.553 0 30 BFAC O=C(COC(F)(F)F)c1cccc(F)c1 68576484 QSYZDOSXNLTVMF-UHFFFAOYSA-N 222.137 2.545 0 30 BFAC CC(C)(C)c1cc(CCC(=O)O)cc2c1OCC2 72194459 FFKRSNFARUKQSK-UHFFFAOYSA-N 248.322 2.936 0 30 BFAC Fc1ccc(NC(=S)NCC2CC2)c(F)c1 1044789 JUHKSNWITXEYTF-UHFFFAOYSA-N 242.294 2.661 0 30 BFAC CCCCOc1ccccc1NC(C)=O 2034894 MJELWGXEQOCGGW-UHFFFAOYSA-N 207.273 2.824 0 30 BFAC O=C(Nc1ccc(Cl)cc1)Nc1ccno1 122418 NXJZZXFBDDPWGX-UHFFFAOYSA-N 237.646 2.972 0 30 BFAC CC(C)CCCCCOCC(C)(C)O 32211172 FCDIGZZSGXKMBB-UHFFFAOYSA-N 202.338 2.990 0 30 BFAC Nc1c(Cl)ccnc1-c1ccccc1 95830779 QHMIFOVXALZPNO-UHFFFAOYSA-N 204.660 2.984 0 30 BFAC O=C(O)c1ccc(-c2cnc3c(c2)CCC3)cc1 1236062031 XIZWSXGHUKEKST-UHFFFAOYSA-N 239.274 2.936 0 30 BFAC CCOC(=O)C[C@@](C)(O)c1ccc(Cl)cc1 5650576 AKTWBLNPMXANJD-GFCCVEGCSA-N 242.702 2.501 0 30 BFAC NCc1ccccc1COC1CCCCC1 22220066 SVWMXGWESJAJCM-UHFFFAOYSA-N 219.328 2.995 0 30 BFAC O[C@H](c1ccc(Br)s1)C1CC1 36162815 FXTHTTKHIZMUPC-QMMMGPOBSA-N 233.130 2.954 0 30 BFAC in-vitro NCc1ncccc1-c1ccc(Cl)cc1 41653063 NHUULRRMPDHJNN-UHFFFAOYSA-N 218.687 2.861 0 30 BFAC O[C@@H](c1cc(Cl)cc2c1OCC2)C1CC1 123016792 MWNGELNDHLFTEK-LLVKDONJSA-N 224.687 2.718 0 30 BFAC S=C1CSC(=S)N1c1ccccc1 39125100 RZPPUTLHTBENAJ-UHFFFAOYSA-N 225.363 2.852 0 30 BFAC COc1ccc2nc(Cl)cc(OC)c2c1 95756338 YTZHPKKVXBRSPD-UHFFFAOYSA-N 223.659 2.905 0 30 BFAC CCOC(=O)C[C@@H]1CCNc2ccccc21 238248270 JARZXCGUFDMBHN-JTQLQIEISA-N 219.284 2.539 0 30 BFAC O=C(OC1[C@H]2C=C[C@@H]1C=C2)c1ccccc1 2265291705 NTELHPJRBBSUIJ-QYJAPNMZSA-N 212.248 2.584 0 30 BFAC C[C@H](N)c1ccc2c(c1)CCC(C)(C)O2 11729991 NXUPNYBPMJGZJA-VIFPVBQESA-N 205.301 2.810 0 30 BFAC CNCc1ccccc1COc1ccccc1 12370596 WFUPXVCKIKJBIM-UHFFFAOYSA-N 227.307 2.985 0 30 BFAC in-vitro Nc1ccc(Cc2ccccc2)cc1[N+](=O)[O-] 34185181 HIESYFWWUDRAPU-UHFFFAOYSA-N 228.251 2.768 0 30 BFAC in-vitro C[C@]1(OC=O)CCC[C@H]2[C@H]3C=C[C@@H](C3)[C@H]21 256598638 QNQHYBLGQZYPSY-NWBUJAPZSA-N 206.285 2.540 0 30 BFAC C/C(Nc1ccccc1C)=C1/CCOC1=O 158953 UURZHQCMQSIGTL-ZHACJKMWSA-N 217.268 2.628 0 30 BFAC CCOC(=O)CCC(C)(C)CCC(=O)OCC 32188182 LMPYRKAOINYIRA-UHFFFAOYSA-N 244.331 2.699 0 30 BFAC CO[C@@H](C)[C@H](F)CC(=O)c1ccccc1 198678107 UZTLCBWDWWFICN-GXSJLCMTSA-N 210.248 2.632 0 30 BFAC CC1CCN(C(=O)[C@H](C(C)C)n2cccc2)CC1 888103913 KNXGIBQLRBLABL-AWEZNQCLSA-N 248.370 2.944 0 30 BFAC Cc1cc(Br)ccc1[C@H](C)C(=O)O 84551533 GBGFZABEEFTHNR-ZETCQYMHSA-N 243.100 2.946 0 30 BFAC O[C@H]1CCc2cccc(C(F)(F)F)c21 148441594 MDXMTZYIFQCSHB-QMMMGPOBSA-N 202.175 2.685 0 30 BFAC CO[C@H](c1ccccc1N)C(F)(F)F 221527990 QWZPZZFKTOABBL-MRVPVSSYSA-N 205.179 2.519 0 30 BFAC N[C@H]1CCCc2ccc(OC(F)F)cc21 222259302 UTFKBYMLHLOJKK-JTQLQIEISA-N 213.227 2.624 0 30 BFAC O=C(O)[C@]1(c2ccccc2)CC12CCCC2 19089325 IPJKMOYQWMAWPO-CQSZACIVSA-N 216.280 2.973 0 30 BFAC O=C1COc2c(Cl)cc(Br)cc21 35652488 KETJSJMINFSMKN-UHFFFAOYSA-N 247.475 2.678 0 30 BFAC Cc1ccc(CC2CCNCC2)c(C)c1 36157516 INLFJICKDJEFGO-UHFFFAOYSA-N 203.329 2.846 0 30 BFAC Clc1cccc([C@@H]2CNCCO2)c1Cl 84514291 IXEKUZIPYFNWLS-VIFPVBQESA-N 232.110 2.654 0 30 BFAC CC(=O)O[C@]1(C)CCC[C@@H]2[C@H]3C=C[C@@H](C3)[C@@H]21 104966770 HSLYLHLFKJXFCS-PDWCTOEPSA-N 220.312 2.930 0 30 BFAC Cc1cc(/C=C/C(=O)O)ccc1OC(F)(F)F 390821982 DHRGRSQODLQPLN-HWKANZROSA-N 246.184 2.991 0 30 BFAC in-vitro C=CSCC1CN(C(=O)OC(C)(C)C)C1 536949650 FVDFTMYMIACAHU-UHFFFAOYSA-N 229.345 2.730 0 30 BFAC Cc1cc(C)n2nc(C(C)(C)C)cc2n1 165456 VAAIEXWGEAXCAB-UHFFFAOYSA-N 203.289 2.644 0 30 BFAC CC(C)(C)OCCOCCOC(C)(C)C 1847872 RJMRCNBBTPROCR-UHFFFAOYSA-N 218.337 2.633 0 30 BFAC S=C1CC(=S)N(C2CCCCC2)C=N1 100292952 PSGSIVIBHNIYJW-UHFFFAOYSA-N 226.370 2.708 0 30 BFAC Nc1cccc(Cl)c1OCC(F)F 130429206 YCFWATPGERLKQG-UHFFFAOYSA-N 207.607 2.566 0 30 BFAC in-vitro N[C@H](CNc1ccccc1)c1ccccc1 40397844 ZORMNFOQTHQKTD-CQSZACIVSA-N 212.296 2.799 0 30 BFAC O=C(O)/C=C/c1sccc1Br 44201127 WSVBRXILDIUXOA-OWOJBTEDSA-N 233.086 2.608 0 30 BFAC O=C(O)c1ccc2cnccc2c1Cl 238661964 ONIJVKUEBANUNC-UHFFFAOYSA-N 207.616 2.586 0 30 BFAC CC(C)(C)OC(=O)[C@H]1C[C@@H](N)c2ccccc21 334163820 JNARGVBQPSLVNS-NWDGAFQWSA-N 233.311 2.515 0 30 BFAC CC(C)(C)c1ccc2c(c1)[C@H](N)CCO2 36928659 DDJDIGRZLPYWRP-LLVKDONJSA-N 205.301 2.766 0 30 BFAC CCc1cnc2c([C@@H]3CCNC3)cccc2c1 39102630 IVTAEFOAYHSALV-CYBMUJFWSA-N 226.323 2.874 0 30 BFAC O=Cc1nnc(-c2ccc(C(F)(F)F)cc2)o1 95642140 VRVDLTVJOGHSNG-UHFFFAOYSA-N 242.156 2.568 0 30 BFAC CC(C)(C)OC(=O)NCCc1ccsc1 82609613 XYCUWSXIQZTIDD-UHFFFAOYSA-N 227.329 2.815 0 30 BFAC O=C(O)C(F)(F)c1ccsc1Cl 306475691 XKVQGSGDRXWWQX-UHFFFAOYSA-N 212.604 2.578 0 30 BFAC CN[C@@H](C)C(=O)c1ccc2sccc2c1 691801812 UUTCAMGZEOYTDB-QMMMGPOBSA-N 219.309 2.692 0 30 BFAC Fc1ccc2c(c1)[C@H](NC1CC1)CCCO2 35652870 HMXNIAZAJXTPHH-GFCCVEGCSA-N 221.275 2.791 0 30 BFAC O=C(O)c1c[nH]c2cc(Cl)c(F)cc12 45821310 BYZWQWXXUXTWSQ-UHFFFAOYSA-N 213.595 2.659 0 30 BFAC Cc1ccc2oc(=O)n(CC(=O)C(C)(C)C)c2c1 148230 DTKWDQVDPOQEIX-UHFFFAOYSA-N 247.294 2.518 0 30 BFAC CCCN(CCN)Cc1cccc(Cl)c1 32015299 KQIZGSFTCYGIEL-UHFFFAOYSA-N 226.751 2.511 0 30 BFAC C[C@]1(Cl)C[C@@](C)(c2ccccc2)OC1=O 33610141 AIOSGNIKZIVZJX-RYUDHWBXSA-N 224.687 2.846 0 30 BFAC N[C@H](Cc1ccccc1)CC(F)(F)F 42413233 KHJXKGANEWGIFN-SECBINFHSA-N 203.207 2.509 0 30 BFAC CCCCc1nnc(Br)s1 71051414 IWUWPHWWQYZIQL-UHFFFAOYSA-N 221.123 2.643 0 30 BFAC COC[C@@H](N)c1cc2ccccc2s1 74179978 URDTVUKYOYAQPH-SECBINFHSA-N 207.298 2.548 0 30 BFAC CCc1c(Br)cccc1C=O 82372102 JGEMVIXTIJUDTF-UHFFFAOYSA-N 213.074 2.824 0 30 BFAC O=C(NC1C[C@H]2C[C@@H]2C1)OCc1ccccc1 113655639 CFSPOCXAMJXHOQ-VXGBXAGGSA-N 231.295 2.711 0 30 BFAC CN(C)C(=O)Oc1cccc2ccccc12 2036002 QNLGINLKNITHFX-UHFFFAOYSA-N 215.252 2.900 0 30 BFAC CCNC(=O)[C@]1(C(C)C)CCCC[C@@H]1C 33506974 BSMQCLSXMDMBAV-AAEUAGOBSA-N 211.349 2.975 0 30 BFAC CCCC[C@@H]1CC(=O)C[C@H]1CC(=O)OCC 114351607 KJSWNAOSCNRYLQ-MNOVXSKESA-N 226.316 2.725 0 30 BFAC Brc1nnc(C2CCCC2)s1 71051571 BAIJVEXVTVBSQM-UHFFFAOYSA-N 233.134 2.958 0 30 BFAC Cc1cc(N(C)C)nc(C)c1Br 95751961 CISMTWZQYSPXPU-UHFFFAOYSA-N 229.121 2.527 0 30 BFAC CCOC(CC(F)(F)Br)OCC 135778805 QAUOBMFAPLIVPF-UHFFFAOYSA-N 247.079 2.763 0 30 BFAC O=C(O)c1cccc2occ(Br)c12 212480852 KQMWFQNCRZSSJC-UHFFFAOYSA-N 241.040 2.894 0 30 BFAC O=C(N[C@H]1CCSC1)c1cccc(Cl)c1 141789 SMUALVGEAPIQET-JTQLQIEISA-N 241.743 2.575 0 30 BFAC O=[S@](c1ccc(F)cc1F)C(F)(F)F 90558033 OFKCXROIPBJVEU-AWEZNQCLSA-N 230.157 2.592 0 30 BFAC CN1C=CC(=C(N=O)C(F)(F)F)C=C1 136942229 FNPDWAPDSLYLMC-UHFFFAOYSA-N 204.151 2.542 0 30 BFAC CCc1cc(OC)c(/C=C\[N+](=O)[O-])cc1OC 83313754 QHCLACIRZLUQEU-WAYWQWQTSA-N 237.255 2.514 0 30 BFAC Clc1c(Br)ccc2ccnn12 238558589 QDFKAZLNLYFINQ-UHFFFAOYSA-N 231.480 2.750 0 30 BFAC COc1ccc(-c2ccc(N)c(O)c2)cc1 2032095 QHBSMUCJGFWNMV-UHFFFAOYSA-N 215.252 2.650 0 30 BFAC CC(=O)OC[C@@H]1CCc2cc3ccccc3n2C1 34451493 RFBARYYIFKYGNM-GFCCVEGCSA-N 243.306 2.767 0 30 BFAC C[C@H](O)c1ccc(Br)s1 36158135 OTGIFRWTOPRWPY-BYPYZUCNSA-N 207.092 2.564 0 30 BFAC in-vitro C[C@@H]1CC[C@@]2(COC(C)(C)O2)C(C)(C)C1=O 38339578 GQDGYIPJMKFXRF-NOZJJQNGSA-N 226.316 2.533 0 30 BFAC NCCCCc1ccc(C(F)(F)F)cc1 70651743 LBGXWAZWKHFXPB-UHFFFAOYSA-N 217.234 2.987 0 30 BFAC in-vitro Fc1ccccc1-c1nc(Br)no1 98210036 GKNJYUWLUWVROA-UHFFFAOYSA-N 243.035 2.638 0 30 BFAC CSc1sc(C(=O)O)c(C)c1[C@@H](C)O 170920 XDSUEEDILJKREI-RXMQYKEDSA-N 232.326 2.530 0 30 BFAC COc1ccc2c(c1)[C@H](C(C)C)NCC2 11598335 CZDPIWZBCYKQMY-ZDUSSCGKSA-N 205.301 2.538 0 30 BFAC Nc1ccc(Cl)c(CN2CCCCC2)c1 20192482 MQWNBMBBDXMIHJ-UHFFFAOYSA-N 224.735 2.908 0 30 BFAC in-vitro CC(=O)c1cccc(OCCN2CCCCC2)c1 20253848 CIHQKPZQOORNIJ-UHFFFAOYSA-N 247.338 2.754 0 30 BFAC Cc1cccc(CCC(=O)O)c1Br 84551502 CDVZSMCWMZGCGE-UHFFFAOYSA-N 243.100 2.775 0 30 BFAC O=C(O)[C@@H](CC(F)(F)F)c1ccccc1 86350297 HEIQZQVZMGICPT-QMMMGPOBSA-N 218.174 2.807 0 30 BFAC Cc1cc(C(F)(F)F)ccc1CC(=O)O 228821491 RMIIRWBAEWOUDU-UHFFFAOYSA-N 218.174 2.641 0 30 BFAC N[C@]1(c2ccccc2Br)CC1(F)F 1536096716 LKJDUKMZUGWSIL-QMMMGPOBSA-N 248.070 2.642 0 30 BFAC CCCOc1ccc(Cl)cc1CCN 11884506 SKSKMLZEIXLPRO-UHFFFAOYSA-N 213.708 2.630 0 30 BFAC C[C@@]1(O)Oc2cccnc2C[C@@H]1c1ccccc1 39120826 GYDGIXSZQJHLKG-IUODEOHRSA-N 241.290 2.509 0 30 BFAC CC(C)[C@@H](N)[C@@H](O)c1cccc(C(F)(F)F)c1 134816879 YFWVMAQKEIRPCN-MNOVXSKESA-N 247.260 2.722 0 30 BFAC NC(=S)COc1cc(Cl)ccc1Cl 5592675 CDQGWUDUWNPBSX-UHFFFAOYSA-N 236.123 2.658 0 30 BFAC CNc1ccc(Br)nc1Cl 238330864 HZNVAIWXOAPBSU-UHFFFAOYSA-N 221.485 2.539 0 30 BFAC CC(C)(C)OC(=O)[C@H]1C[C@H](N)c2ccccc21 334163821 JNARGVBQPSLVNS-RYUDHWBXSA-N 233.311 2.515 0 30 BFAC CCCCC[C@H](C[C@H](OC)OCC)OC 1633946 RRIRPAZDEZXYKM-VXGBXAGGSA-N 218.337 2.981 0 30 BFAC Cc1cc(C)c(CO)c(OCc2ccccc2)n1 40882713 WOMRXVMNTPLEGH-UHFFFAOYSA-N 243.306 2.770 0 30 BFAC in-vitro CCOc1c(Br)ccc(F)c1O 72190255 DAGGMTQYTWUXMW-UHFFFAOYSA-N 235.052 2.693 0 30 BFAC N[C@H]1C[C@@H](c2cccc(Br)c2)C1 498036572 LQLSFITUIQFMQG-WAAGHKOSSA-N 226.117 2.654 0 30 BFAC CC(C)=CC(=O)OCCc1ccccc1 1850435 QTCRFFUEUAXZNW-UHFFFAOYSA-N 204.269 2.739 0 30 BFAC endogenous,in-man COc1ccc2c(c1)[C@@H](N)CC1(CCCC1)O2 11730142 UZXQBXZYKMGMIZ-LBPRGKRZSA-N 233.311 2.790 0 30 BFAC CCOc1sc(C)nc1Br 34462366 NWQPXDFTPXCHHA-UHFFFAOYSA-N 222.107 2.613 0 30 BFAC COc1cc(O)c2c(OC)cc(OC)cc2c1 71973302 OMSPSCJHXZQRAT-UHFFFAOYSA-N 234.251 2.571 0 30 BFAC O=c1[nH]c2ncccc2cc1-c1ccccc1 19732006 BILQDKWMYLRKKH-UHFFFAOYSA-N 222.247 2.590 0 30 BFAC in-vitro Cc1ccc(CC(=O)c2ccc(CN)cc2)cc1 98180679 FVFCCANBAXCCAH-UHFFFAOYSA-N 239.318 2.879 0 30 BFAC Cc1nn(C)c2nc(Cl)cc(Cl)c12 231498364 CAYCBZPKHZCRTI-UHFFFAOYSA-N 216.071 2.584 0 30 BFAC in-vitro CCC(=O)[C@@H]1CCCN(c2ccc(F)cc2)C1=O 1535191193 XOWJXPAWHRTKAX-LBPRGKRZSA-N 249.285 2.548 0 30 BFAC COC(=O)c1ccncc1-c1ccccc1C 2524919 YCEXHYXJCGNDGL-UHFFFAOYSA-N 227.263 2.844 0 30 BFAC Oc1c2ccccc2c(O)c2occc12 14612342 ZLNMFKYGGBXDJX-UHFFFAOYSA-N 200.193 2.997 0 30 BFAC NCCC[C@@H](c1ccccc1)N1CCCC1 19674017 YDERKBIHOAVURS-AWEZNQCLSA-N 218.344 2.562 0 30 BFAC COc1cc(-c2ccc(O)c(OC)c2)ccc1O 32264937 JJTJFVSZYDSLOT-UHFFFAOYSA-N 246.262 2.782 0 30 BFAC O=Cc1cccc(Oc2ccc(O)cc2)c1 59128843 HNPATEBLUYEEEV-UHFFFAOYSA-N 214.220 2.997 0 30 BFAC in-vitro CCn1nnc(-c2cc(Cl)cc(Cl)c2)n1 90019 BBXCLBFELFQYBE-UHFFFAOYSA-N 243.097 2.667 0 30 BFAC COC(=O)C(O)=C(Cl)c1ccc(C)cc1 2265385668 AXQZPNVSCNZPIE-UHFFFAOYSA-N 226.659 2.633 0 30 BFAC NCCCCCc1c[nH]c2ccccc12 2010882 OSQJMBHMUWMCDX-UHFFFAOYSA-N 202.301 2.839 0 30 BFAC CCCCC[C@@H](N)CCCCC(=O)O 33607559 JTCAFTOXSIHBFL-SNVBAGLBSA-N 201.310 2.539 0 30 BFAC Cc1cc(Oc2ccccn2)ccc1N 36667215 JYGCVISBMHWEJT-UHFFFAOYSA-N 200.241 2.765 0 30 BFAC CCC(CC)Nc1ccc(C(=O)OC)cc1N 41079824 ADEGGSDEYFUBJH-UHFFFAOYSA-N 236.315 2.656 0 30 BFAC CCN(CC)CC(=O)Oc1c(C)cccc1C 95787567 JZIDHFJJQZOLMU-UHFFFAOYSA-N 235.327 2.551 0 30 BFAC Oc1ccc2ccnc(Br)c2c1 236609116 HVMSZWOARBZRKE-UHFFFAOYSA-N 224.057 2.703 0 30 BFAC O=C(O)[C@]1(C(F)(F)F)CC2CCC1CC2 1536221417 DJNCULILOHKXIJ-IEIXJENWSA-N 222.206 2.830 0 30 BFAC CC(=O)Nc1ccc(NC(=O)[C@@H]2CC2(C)C)cc1 161226 DKTKFFPWQPSKAM-LBPRGKRZSA-N 246.310 2.630 0 30 BFAC CC(C)CNC(C)(C)COC(=O)c1ccccc1 2019366 YGSFZBYOMFZJPV-UHFFFAOYSA-N 249.354 2.868 0 30 BFAC in-man C[C@]1(O)Oc2cccnc2C[C@@H]1c1ccccc1 39120828 GYDGIXSZQJHLKG-DOMZBBRYSA-N 241.290 2.509 0 30 BFAC Cc1oc(C(C)(C)C)cc1-c1cc(N)n(C)n1 113605 DIRNIDOLAUITSX-UHFFFAOYSA-N 233.315 2.868 0 30 BFAC Brc1nnsc1-c1ccccc1 96988501 VLWACJTXPBRDPC-UHFFFAOYSA-N 241.113 2.968 0 30 BFAC N[C@H](c1ccccc1)[C@@H]1C[C@H]1c1ccncc1 1536221836 JRQLDZRQWHDHMM-RRFJBIMHSA-N 224.307 2.885 0 30 BFAC CC(C)C[C@]1(C)N[C@@H](c2ccccc2)COC1=O 2242137797 KUGHEXPCMWDSEE-HIFRSBDPSA-N 247.338 2.679 0 30 BFAC CC(C)(C)c1ccc(-c2cc(CO)[nH]n2)cc1 36162242 IFSKVUIDNLYQKR-UHFFFAOYSA-N 230.311 2.867 0 30 BFAC CCc1cccc(NC[C@H]2CCCNC2)c1 87646077 NTDIAMGZTUIERS-ZDUSSCGKSA-N 218.344 2.661 0 30 BFAC O=C(OCc1ccccc1)N1CC[C@@H]2C[C@H]2C1 307039365 HADJFVKEALYXRG-OLZOCXBDSA-N 231.295 2.665 0 30 BFAC CC[S@](=N)(=O)c1cccc(Cl)c1 521399551 YBVKBJOUBZSWBM-LBPRGKRZSA-N 203.694 2.766 0 30 BFAC Cc1csc2ncnc(N3CCCCC3)c12 82581 LIYUJGDCOOAAFR-UHFFFAOYSA-N 233.340 2.990 0 30 BFAC COc1cc(C)cc([C@H]2C[C@@H](C)CN2)c1 3704972 ACYDJPDBDQGWRP-ZWNOBZJWSA-N 205.301 2.674 0 30 BFAC CC(C)C(=O)C[C@H](C)CC(=S)N(C)C 45817704 QVAWDJUWFHTLON-VIFPVBQESA-N 215.362 2.517 0 30 BFAC OCC1(c2ccc(Cl)cc2)CC(F)(F)C1 257975694 JTRNRSUECFCCME-UHFFFAOYSA-N 232.657 2.999 0 30 BFAC COC(=O)c1nc2ccccc2cc1C1CC1 669371517 CFTVZHXILYNANN-UHFFFAOYSA-N 227.263 2.899 0 30 BFAC C[Si](C)(C)NCCNc1ccccc1 195763639 HMMILWSQQJGEGS-UHFFFAOYSA-N 208.381 2.523 0 30 BFAC Cc1ccc(-n2nnc(-c3cccs3)n2)cc1 150781 HVBNZLCOMWRZKZ-UHFFFAOYSA-N 242.307 2.699 0 30 BFAC Cc1nc(-c2ccccc2Br)n[nH]1 36960675 JAQOQUJKQHCSOM-UHFFFAOYSA-N 238.088 2.543 0 30 BFAC C[C@@H]1Cc2cccc(Br)c2O1 84306218 UVVJQURYOUASEV-ZCFIWIBFSA-N 213.074 2.773 0 30 BFAC COc1ccc(N/N=C2\C[C@@H](C)CCC2=O)cc1 111881634 OCMNERIMZFMHEM-CDSOTZFASA-N 246.310 2.852 0 30 BFAC CC[C@@H]1CC[C@](CC)(COC(C)=O)OC1 137378623 JKDKDEYZHCJMDU-VXGBXAGGSA-N 214.305 2.535 0 30 BFAC COCc1cccc(Br)c1C 725662172 HENVJXIBZFSRPO-UHFFFAOYSA-N 215.090 2.904 0 30 BFAC CC(=O)C12CC(c3ccccc3)(C1)C2(F)F 2265384708 NHGNNSOUTHPZGQ-UHFFFAOYSA-N 222.234 2.943 0 30 BFAC CCOC(=O)[C@H](CC)Cc1ccccc1 1849926 QDCUBAFTOOPBFR-GFCCVEGCSA-N 206.285 2.818 0 30 BFAC endogenous,in-man FC(F)(F)C1(c2ccccc2)CCNCC1 114500390 UNZWJLQWPUTIDR-UHFFFAOYSA-N 229.245 2.870 0 30 BFAC CCOP(=O)(OCC)C(C)(C)C#N 146795005 BJHQTDZZGKFHOK-UHFFFAOYSA-N 205.194 2.555 0 30 BFAC CN1c2ccccc2C(=O)N[C@@H]1[C@@H]1CC=CCC1 94536 KYUVQEQHOIPTET-RISCZKNCSA-N 242.322 2.549 0 30 BFAC CCOCCNc1ccccc1OCC 35098068 JNOAQTCDHXMHLR-UHFFFAOYSA-N 209.289 2.534 0 30 BFAC C[C@@H](O)c1cc(F)ccc1Br 95637093 IBHYZKHFROARHA-RXMQYKEDSA-N 219.053 2.642 0 30 BFAC COC(=O)c1ccc2c(Cl)nsc2c1 98180971 PARMHVMDAVPNBG-UHFFFAOYSA-N 227.672 2.736 0 30 BFAC CC(=O)c1ccc(Cl)c(Cl)c1N 40441628 DQHYHGNNQZAKFW-UHFFFAOYSA-N 204.056 2.778 0 30 BFAC CCC(=O)Nc1ccc([C@H](O)C(F)(F)F)cc1 3643399 NKBABNRRDTZGJV-JTQLQIEISA-N 247.216 2.631 0 30 BFAC O=Cc1c2c(nc3ccccc13)CCCC2 21987686 ZMHSVAGUTUODHT-UHFFFAOYSA-N 211.264 2.926 0 30 BFAC CCc1nc(-c2ccc(N)cc2)cs1 26443951 IISMBHIPBXIJIT-UHFFFAOYSA-N 204.298 2.955 0 30 BFAC CN[C@@H]1CCOc2c(Cl)cc(F)cc21 37901975 DBDJBEMXEKLFFD-SECBINFHSA-N 215.655 2.522 0 30 BFAC FC1(F)Oc2ccc(NC3CCC3)cc2O1 44480017 TXTVPAYWXNLLCP-UHFFFAOYSA-N 227.210 2.973 0 30 BFAC CCC(=O)N(c1ccccc1)C1(C)CCNCC1 71973339 DOLZBPYMBSDZDE-UHFFFAOYSA-N 246.354 2.572 0 30 BFAC c1ccc2cc([C@@]34CNC[C@H]3C4)ccc2c1 101168038 HKHCSWPSUSWGLI-HUUCEWRRSA-N 209.292 2.701 0 30 BFAC in-vivo COc1ccccc1Cc1ccc(Cl)nn1 34196902 GXAOMUSGUVAZDM-UHFFFAOYSA-N 234.686 2.729 0 30 BFAC C[C@H]1CNc2cccc(Br)c2O1 62529580 YGRVNMAXPWMNPW-LURJTMIESA-N 228.089 2.642 0 30 BFAC O=C1CC(=O)CC(CCc2ccccc2)C1 100080828 OWOUATMIQOOZDO-UHFFFAOYSA-N 216.280 2.558 0 30 BFAC N[C@H](COCc1ccccc1)c1ccccc1 1613220 ZMNPFYANVKDFQC-OAHLLOKOSA-N 227.307 2.903 0 30 BFAC in-vitro Cc1cc(Br)c([C@H](C)O)s1 83678988 UGGBGAQROGIAOC-YFKPBYRVSA-N 221.119 2.872 0 30 BFAC Cc1ccc([C@H](C)O)cc1Br 145207295 ALJNMHXPTJTHOG-ZETCQYMHSA-N 215.090 2.811 0 30 BFAC CC(C)C(=O)O[C@@H]1C[C@H]2C[C@@H]1[C@@H]1C=CC[C@@H]12 223600325 QNEXACLQEWOALO-SYLRKERUSA-N 220.312 2.786 0 30 BFAC CCOC(=O)[C@@H]1[C@@H]2Cc3c(Cl)cccc3[C@H]21 521399612 MYVRUTSAZYJHCF-YUSALJHKSA-N 236.698 2.789 0 30 BFAC CCCCC[C@@H](OC(C)=O)[C@H](C)COC(C)=O 5821023 TVGYJOZXWMFEJX-ZWNOBZJWSA-N 244.331 2.698 0 30 BFAC CC(=O)[C@@H](C)Sc1nc(C)cs1 35184880 FEZVCOPJEUPWBK-SSDOTTSWSA-N 201.316 2.521 0 30 BFAC CCCNc1ccc(Br)nc1 83348080 MWMSLXZCFREYDW-UHFFFAOYSA-N 215.094 2.666 0 30 BFAC CN1CCC(c2n[nH]c3cc(F)ccc23)CC1 34212215 DBOWKWSBQIBMRD-UHFFFAOYSA-N 233.290 2.511 0 30 BFAC CS[C@@H]1[C@H]2CC[C@@](C)([C@H]1O)C2(C)C 256837845 FTSZDJKYAIMZNI-REIXXSIJSA-N 200.347 2.535 0 30 BFAC CC(C)(C)O[C@@H]1C[C@H](CC(=O)O)C12CCC2 1535647382 NASFZMMVSAMIDG-NXEZZACHSA-N 226.316 2.835 0 30 BFAC CCCc1[nH]c2c(C)cc(N)cc2c(=O)c1C 21300379 ROPUMYZKLXZQDM-UHFFFAOYSA-N 230.311 2.680 0 30 BFAC CCC[C@@H](O)[C@H](C)C(=O)c1ccccc1 21996955 YTMHKYDVBYQMHR-CMPLNLGQSA-N 206.285 2.666 0 30 BFAC N[C@@H](CCO)c1ccc(-c2ccccc2)cc1 32099007 UNUNOVQUYQLLAO-HNNXBMFYSA-N 227.307 2.736 0 30 BFAC C[C@@H]1C[C@](C)(O)C[C@H](c2ccccc2)O1 38635930 GTDWBOZGGBDJGL-RTXFEEFZSA-N 206.285 2.678 0 30 BFAC Cc1cc(Br)cnc1OC(F)F 47203155 QVWWMFKIRMUSMD-UHFFFAOYSA-N 238.031 2.754 0 30 BFAC COc1ccc([C@@H](C(=O)O)C(C)(C)C)cc1 59680869 JXOUAWPLIRNMAT-NSHDSACASA-N 222.284 2.910 0 30 BFAC CCCCCCC(C)(C)C1=NCCN1CCN 142158592 SHFIYHIFUJSPCA-UHFFFAOYSA-N 239.407 2.656 0 30 BFAC O=C(NCC1CC1)Nc1ccc(Cl)cc1 157608 KARSIZRBAITNIW-UHFFFAOYSA-N 224.691 2.872 0 30 BFAC NC(=S)c1ccccc1-c1ccccc1 34743831 NLVJBAJYEHXOSN-UHFFFAOYSA-N 213.305 2.988 0 30 BFAC O=C(O)[C@H]1Cc2ccc3ccccc3c2C1 38283860 KLZWGWLPTNLXQK-NSHDSACASA-N 212.248 2.639 0 30 BFAC C[C@H](C(=O)O)c1ccc(Br)c(F)c1 84567036 XQPCSUQAODFLRM-YFKPBYRVSA-N 247.063 2.776 0 30 BFAC CCOc1ccc([C@]2(C)CCC2=O)cc1 39099272 PDYVYTKCZLQUMJ-ZDUSSCGKSA-N 204.269 2.706 0 30 BFAC O=C(c1ccccc1)N1Cc2ccccc2C1 82278619 IWCBUAOAIGSAGV-UHFFFAOYSA-N 223.275 2.843 0 30 BFAC CC(C)(C)OC(=O)c1ccncc1Cl 84192556 OMTHMTRLZQHWHR-UHFFFAOYSA-N 213.664 2.690 0 30 BFAC CC(C)(C)OC(=O)N1CCC[C@@]2(CS2)C1 2265385124 DJSIZXAXXNJJOI-NSHDSACASA-N 229.345 2.503 0 30 BFAC O=c1nc(Cl)cc2n1CCC1=C2CCCC1 534761 PLBFCUMAHSRYNM-UHFFFAOYSA-N 236.702 2.628 0 30 BFAC Cc1ccc([C@H]2NCCc3cc(O)ccc32)cc1 3731802 HUTZRNKOIMICSG-MRXNPFEDSA-N 239.318 2.936 0 30 BFAC biogenic COc1cccc(N2CCCC2=S)c1 39124749 LVILCODMVFOMHZ-UHFFFAOYSA-N 207.298 2.623 0 30 BFAC CC(C)[C@@H]1NC[C@]12CCCN2Cc1ccccc1 958642877 LQQXIWLPMIOGNZ-JKSUJKDBSA-N 244.382 2.649 0 30 BFAC COC(=O)c1ccc(-c2ccccn2)s1 125314 WFJYHWUNVCDIOW-UHFFFAOYSA-N 219.265 2.597 0 30 BFAC CC(=O)OC(C)(C)Cc1ccc(C)cc1 6070846 ZZRMFTYRQORIEE-UHFFFAOYSA-N 206.285 2.879 0 30 BFAC CCN(CC)c1cc(Cl)nc(SC)n1 84198948 OLTTVXXDXFNQRW-UHFFFAOYSA-N 231.752 2.698 0 30 BFAC CC(C)(C)c1cccc(C2(CN)CC2)c1 257813429 AEFBIMDFFPFNOC-UHFFFAOYSA-N 203.329 2.974 0 30 BFAC CCOc1ccc([C@@H](C)N)c(OCC)c1 3705574 PQDHFPQPLHBKKY-SECBINFHSA-N 209.289 2.504 0 30 BFAC CC(C)(C)n1nc(-c2cccs2)cc1N 37295092 CXFCKNUJVHHMSB-UHFFFAOYSA-N 221.329 2.949 0 30 BFAC in-vitro N[C@@H]1CCCN(c2ccc(Cl)c(Cl)c2)C1 53146586 NJLRPQXEJMDNFX-MRVPVSSYSA-N 245.153 2.921 0 30 BFAC Cc1ccc(Br)c(N)c1S 134877710 XORBZSKSZZQABN-UHFFFAOYSA-N 218.119 2.628 0 30 BFAC S=C1CCCCN1Cc1ccccc1 39124876 VTBZJVWDHISFDG-UHFFFAOYSA-N 205.326 3.000 0 30 BFAC CC(C)(C)OC(=O)Nc1ccc(F)cc1CN 84250617 GCDZIRGTBWEMCM-UHFFFAOYSA-N 240.278 2.631 0 30 BFAC CCN(CC)Cc1cccc(C(C)=O)c1 140554555 DGSLXOVEZNINNN-UHFFFAOYSA-N 205.301 2.731 0 30 BFAC NCc1nc2cc(Br)ccc2s1 37205897 HVLMPVYQYCAVRS-UHFFFAOYSA-N 243.129 2.518 0 30 BFAC C[C@H]1CCC(=O)[C@@H](OCc2ccccc2)C1 1536221774 CELBBTBBXDIGRT-FZMZJTMJSA-N 218.296 2.961 0 30 BFAC O=C1N[C@@H]([C@H]2CC=CCC2)Nc2ccccc21 150118 KORVABRTGPOWDA-GWCFXTLKSA-N 228.295 2.524 0 30 BFAC CCOC(=O)c1sc(Br)cc1C 117685401 QNZAHZICJQJSFJ-UHFFFAOYSA-N 249.129 2.996 0 30 BFAC Cc1ccsc1CNC(=O)c1ccccc1 147846 WNIZEKJOPGQRGN-UHFFFAOYSA-N 231.320 2.987 0 30 BFAC CC(=N)NC(=S)Nc1ccc(Cl)cc1 164497 FYMUROWIMOOTLC-UHFFFAOYSA-N 227.720 2.624 0 30 BFAC C[C@@H]1CCC[C@](O)([C@@H](C(=O)O)c2ccccc2)C1 17149385 ZXADRCVGENLGTA-UXIGCNINSA-N 248.322 2.796 0 30 BFAC N[C@H](CCc1ccccc1)CC(F)(F)F 42413263 FYACPZGCLYNRKN-SNVBAGLBSA-N 217.234 2.899 0 30 BFAC CC1(C)CN(Cc2ccccc2)CC[C@@H]1C(=O)O 259280674 OIOYFTOKSGEEOX-CYBMUJFWSA-N 247.338 2.619 0 30 BFAC CCNc1ccc(C(F)(F)F)cc1N 1465976 MOQFNDFDNBIIHW-UHFFFAOYSA-N 204.195 2.719 0 30 BFAC CN1CC[C@@H](c2cn(C)c3ccccc23)C1 39109483 KRSFWPXOGFXIHK-LLVKDONJSA-N 214.312 2.597 0 30 BFAC O=C(O)c1cc2cccc(Cl)c2cn1 72986131 AOPYUCDFJSTTMB-UHFFFAOYSA-N 207.616 2.586 0 30 BFAC c1ccc(CN2CC[C@@H]3CCCO[C@@H]3C2)cc1 306631263 NAONCAAJZIXQIV-LSDHHAIUSA-N 231.339 2.688 0 30 BFAC in-vitro N[C@@H](C[C@H](N)c1ccccc1)c1ccccc1 5934425 ILDQIFPNBGCLRH-GJZGRUSLSA-N 226.323 2.777 0 30 BFAC CCc1ccc2cc(CO)c(Cl)nc2c1 32099737 HFLITLNIFFECJF-UHFFFAOYSA-N 221.687 2.943 0 30 BFAC CC(C)(C)OCc1ccccc1C(=O)O 35415260 MBPJCQJAOBCJFO-UHFFFAOYSA-N 208.257 2.700 0 30 BFAC in-vitro c1ccc(-c2scc3c2OCCO3)nc1 71186777 YVYMLRBYWICUPV-UHFFFAOYSA-N 219.265 2.581 0 30 BFAC CC(C)(C)n1nccc1-c1nccs1 72190502 TVDHWTGZBHIPER-UHFFFAOYSA-N 207.302 2.762 0 30 BFAC NCC[C@H](c1ccccc1)C(F)(F)F 82718262 PTNGCGOVTKLNDS-SECBINFHSA-N 203.207 2.681 0 30 BFAC in-vitro O[C@@H]1CCN(Cc2ccccc2)C2(CCC2)C1 335606763 CFDZVEYFFPTUJY-CQSZACIVSA-N 231.339 2.566 0 30 BFAC c1ccc2c(c1)N[C@@H]([C@@H]1Nc3ccccc3O1)O2 135843 JLEHJOWNCWUHER-ZIAGYGMSSA-N 240.262 2.648 0 30 BFAC NCCCNc1cccc2ccccc12 52945668 NETWUUKWXREPEI-UHFFFAOYSA-N 200.285 2.601 0 30 BFAC CC(C)C1CCC([C@H](O)c2ccnn2C)CC1 87961690 WBUYSTBAJVPGLO-YIZWMMSDSA-N 236.359 2.916 0 30 BFAC in-vitro OCCCc1c(F)cccc1C(F)(F)F 90729805 XRUPBGDVMZPLMA-UHFFFAOYSA-N 222.181 2.769 0 30 BFAC Cc1cc(C)cc(C(=O)[C@@H]2CCC[C@@H]2C(=O)O)c1 91676038 UULJYEIVQURUSE-OLZOCXBDSA-N 246.306 2.987 0 30 BFAC CCNC(=O)[C@@]1(C(C)C)CCCC[C@@H]1C 33506972 BSMQCLSXMDMBAV-WCQYABFASA-N 211.349 2.975 0 30 BFAC Cc1ccccc1C(=O)[C@H]1CCC[C@@H]1C(=O)O 83296023 JCFJOOWFROHYMP-RYUDHWBXSA-N 232.279 2.679 0 30 BFAC Oc1cccc(C2(C(F)(F)F)CC2)c1 2265383628 GMOLTXHWODEXRK-UHFFFAOYSA-N 202.175 2.986 0 30 BFAC C[C@@H](c1ccccc1)n1cccc1C(=O)O 35431409 BFLKSSGFEWKBMW-JTQLQIEISA-N 215.252 2.796 0 30 BFAC CC(C)SCCNC(=O)OC(C)(C)C 39094208 PJTWPKBONLYELA-UHFFFAOYSA-N 219.350 2.653 0 30 BFAC C[C@@H](C(=O)O)c1cc(F)cc(Br)c1 84567042 KIRAKWLVDHLCMN-RXMQYKEDSA-N 247.063 2.776 0 30 BFAC Cc1cc(F)cc2c1OCC[C@H]2NC(C)C 129262470 QKNACSBRCASRJD-GFCCVEGCSA-N 223.291 2.956 0 30 BFAC CCN(CC)c1nc2ccccc2c(=O)s1 74685 YGDNRKWOGJHHIV-UHFFFAOYSA-N 234.324 2.503 0 30 BFAC C[C@]1(Cl)C[C@](C)(c2ccccc2)OC1=O 33610143 AIOSGNIKZIVZJX-NWDGAFQWSA-N 224.687 2.846 0 30 BFAC Fc1ccc(F)c(C[C@H]2CCCCN2)c1 55243569 BRXLXFUVSAPNOZ-LLVKDONJSA-N 211.255 2.649 0 30 BFAC O=C(O)c1cccc2cnc(Cl)cc12 218418825 UCZRSODBXBGUAQ-UHFFFAOYSA-N 207.616 2.586 0 30 BFAC CCOC(=O)[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@H]21 536948784 ZQDYBKBOQXPBCK-QJPTWQEYSA-N 236.698 2.789 0 30 BFAC Oc1ccc(Nc2ccc(O)cc2O)cc1 39097914 ZFKWYJVNSUDRKM-UHFFFAOYSA-N 217.224 2.547 0 30 BFAC CCOC(=O)[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@H]21 536948783 ZQDYBKBOQXPBCK-IJLUTSLNSA-N 236.698 2.789 0 30 BFAC CSc1ccncc1Br 34566108 MPCMMFVVWYYGRG-UHFFFAOYSA-N 204.092 2.566 0 30 BFAC CC(C)[C@@H](N)[C@H](O)c1cccc(C(F)(F)F)c1 134816839 YFWVMAQKEIRPCN-GHMZBOCLSA-N 247.260 2.722 0 30 BFAC CCCC(=O)O[C@@H]1C[C@H]2C[C@H]1[C@@H]1CC=C[C@H]21 263589289 HVEOFLOFUBUHEQ-NJMOYASZSA-N 220.312 2.930 0 30 BFAC CCOC(=O)CNc1c(CC)cccc1CC 5140330 UHJMECPUUCQFRL-UHFFFAOYSA-N 235.327 2.786 0 30 BFAC Cc1cccc2c1OCCC[C@@H]2NC1CC1 35652668 DAXOYKREAXDYMS-ZDUSSCGKSA-N 217.312 2.961 0 30 BFAC C[C@@H]1C[C@H](N)c2ccc(Br)cc21 215882918 ZHNIWCINWDFROQ-LDWIPMOCSA-N 226.117 2.956 0 30 BFAC CC(C)(C)C(=O)Nc1cccc(-c2ncon2)c1 106975 YDSTUKRPNHLYLH-UHFFFAOYSA-N 245.282 2.721 0 30 BFAC c1cc([C@@H]2CCCNC2)c2cc[nH]c2c1 33884898 JWMGZQMVMZBMFM-SNVBAGLBSA-N 200.285 2.635 0 30 BFAC O=C(NCc1csc2ccccc12)C1CC1 69450 CVKCBHPGNCHTAP-UHFFFAOYSA-N 231.320 2.928 0 30 BFAC Nc1nc(-c2ccc(C(F)(F)F)cc2)c[nH]1 85279370 STVYQXZARQXMCD-UHFFFAOYSA-N 227.189 2.678 0 30 BFAC in-vitro CC1(c2cc(Cl)ccc2Cl)CNC1 221071925 ILEIJXYNHMXMIS-UHFFFAOYSA-N 216.111 2.854 0 30 BFAC C[C@@H]1CCO[C@@H](/C=C/c2ccccc2)O1 16892639 LSEPTNAIKXLPFK-KPYDUXRZSA-N 204.269 2.851 0 30 BFAC CCOC(OCC)C(=O)c1ccc(Cl)cc1 33604920 RMLXSFOEZDXKEK-UHFFFAOYSA-N 242.702 2.922 0 30 BFAC CC[C@H](N)Cc1ccc(OC(F)(F)F)cc1 36778847 ZCLZVVLAXOBRMP-VIFPVBQESA-N 233.233 2.865 0 30 BFAC CC(=O)c1nc(-c2ccc(Cl)cc2)no1 70996602 ZGZUJOZTQAHRIW-UHFFFAOYSA-N 222.631 2.593 0 30 BFAC CC1(C)CC[C@@H]2CNCc3cccc1c32 82784368 HSFBXCCATDRXEL-LLVKDONJSA-N 201.313 2.945 0 30 BFAC Cc1ccsc1/C=C/[C@]1(C)COC(=O)N1 224614425 CCLSXAIHSIMBRC-JOAKQRRISA-N 223.297 2.568 0 30 BFAC Sc1nnc(C=Cc2ccccc2)o1 2265237898 KNRDDHQQKURIEX-UHFFFAOYSA-N 204.254 2.529 0 30 BFAC Cc1nnc(Nc2cccc(F)c2)s1 88862 YJCLSQDDYPKKDX-UHFFFAOYSA-N 209.249 2.729 0 30 BFAC CCCOc1ccc(Cl)cc1CC(=O)O 31893038 MBTGKHLNXYSADQ-UHFFFAOYSA-N 228.675 2.756 0 30 BFAC COc1cc(OCC(C)=O)c(Cl)cc1Cl 72233048 GVKVHDNEKKRGJQ-UHFFFAOYSA-N 249.093 2.970 0 30 BFAC Oc1cc(O)c(Br)cc1Cl 21303664 YZRHGWRGIIGQDK-UHFFFAOYSA-N 223.453 2.514 0 30 BFAC C[C@@H](O)CCN[C@H](C)c1ccccc1Cl 82993134 GDXOJKNKDADUND-NXEZZACHSA-N 227.735 2.762 0 30 BFAC OCc1ccc(C(F)(F)C(F)(F)F)cc1 95883292 ZXZLUFRIKQUNAX-UHFFFAOYSA-N 226.144 2.833 0 30 BFAC in-vitro CC1=C(C)C(=O)N(c2ccc(Cl)cc2)C1=O 71304 DVYMLDZJLCAVJJ-UHFFFAOYSA-N 235.670 2.550 0 30 BFAC C[C@H](CCOC(=O)/C=C\C(=O)O)CC(C)(C)C 31332809 NJAFJJJFZZALPC-WWQCOOJYSA-N 242.315 2.633 0 30 BFAC CC(C)Oc1ccnc(Br)c1 44118597 JNKIIJYPNGOUMF-UHFFFAOYSA-N 216.078 2.631 0 30 BFAC CC(C)n1[nH]ccc1=NC(=O)Nc1ccccc1 725325401 NGPIKCFMOMRSIH-UHFFFAOYSA-N 244.298 2.530 0 30 BFAC N[C@H]1CCCc2ccc(Br)cc2C1 1535332588 JYLAAWZFYJIIES-NSHDSACASA-N 240.144 2.655 0 30 BFAC COc1ccccc1-c1[nH]c(C)c(C(C)=O)c1N 2013756 AVGIPTWEOCXHOK-UHFFFAOYSA-N 244.294 2.784 0 30 BFAC CCOC(=O)CCc1ccc(Cl)cc1F 34557750 FREXNMLSVAPYAA-UHFFFAOYSA-N 230.666 2.975 0 30 BFAC COc1ccc(N/N=C2\C[C@H](C)CCC2=O)cc1 111881631 OCMNERIMZFMHEM-OIRDJALBSA-N 246.310 2.852 0 30 BFAC FC(F)(F)c1ncsc1Br 206850433 DALORIBDLDJPKC-UHFFFAOYSA-N 232.024 2.924 0 30 BFAC in-vitro COC(=O)c1cc2c(Cl)c(OC)ccc2[nH]1 259804017 VDLCQITZGAMVCC-UHFFFAOYSA-N 239.658 2.617 0 30 BFAC COc1cc(OC)c2c(c1)[C@@H](C)[C@@H](C)C2=O 21989864 FGBFEFJZYZDLSZ-JGVFFNPUSA-N 220.268 2.640 0 30 BFAC CC(C)(O)c1ccc(Br)s1 57502108 NDHQIRSJBXYKBH-UHFFFAOYSA-N 221.119 2.738 0 30 BFAC in-vitro CCOC(=O)c1c[nH]cc1-c1ccc(OC)cc1 96347525 YLMFJJFSWLRZRL-UHFFFAOYSA-N 245.278 2.867 0 30 BFAC Cc1ccc(-c2ccc(C(=O)O)cc2)nc1 37597685 DYFJYHZDJPICHF-UHFFFAOYSA-N 213.236 2.755 0 30 BFAC CCSC(=S)SC(C)(C)C(=O)O 66338760 UKOGBBSRQCYUQV-UHFFFAOYSA-N 224.372 2.621 0 30 BFAC Sc1ncc(Oc2ccccc2)cn1 258554989 OSFJZNJBHKEFMM-UHFFFAOYSA-N 204.254 2.558 0 30 BFAC COC(=O)c1ccccc1CC(F)(F)F 260462615 OEMGTCBNGXNNAX-UHFFFAOYSA-N 218.174 2.578 0 30 BFAC CC(C)C[C@@]1(C)N[C@H](c2ccccc2)COC1=O 2242137796 KUGHEXPCMWDSEE-DZGCQCFKSA-N 247.338 2.679 0 30 BFAC C[S@](=O)c1scc2c1C(=O)CC(C)(C)C2 4350285 LBCVKVVVAUJYPO-OAHLLOKOSA-N 242.365 2.641 0 30 BFAC CS[C@H]1[C@H]2CC[C@@](C)([C@@H]1O)C2(C)C 38996794 FTSZDJKYAIMZNI-LOKLDPHHSA-N 200.347 2.535 0 30 BFAC CC[C@@H]1C/C(=C\c2ccc(C)cc2)C(=O)N1 39101822 OYOIEURRDFMUSB-YQCJOKCJSA-N 215.296 2.677 0 30 BFAC C[C@](O)(Cc1ccccc1)c1cccnc1 62170946 OXSXKZBTKAZGAI-AWEZNQCLSA-N 213.280 2.532 0 30 BFAC CC[C@@H](C)[C@@H](CCCCCC(=O)O)C(=O)O 143022337 LOGXGMZHHKPLEQ-NXEZZACHSA-N 230.304 2.768 0 30 BFAC in-vitro CO[C@H](C)[C@@H](F)CC(=O)c1ccccc1 198678158 UZTLCBWDWWFICN-KOLCDFICSA-N 210.248 2.632 0 30 BFAC O=NN1CCC(c2ccc(F)cc2)CC1 216110914 KKMKYPICWXGGEZ-UHFFFAOYSA-N 208.236 2.687 0 30 BFAC COC[C@H]1CCCN1c1cccc(O)c1Cl 145846468 LEKIGXUQKLGJHC-SECBINFHSA-N 241.718 2.661 0 30 BFAC Nc1nc(Cc2c(F)cccc2F)cs1 96378690 JAIQUGILWUGSLX-UHFFFAOYSA-N 226.251 2.594 0 30 BFAC in-vitro CC(C)(N)c1nc2ccc(Cl)cc2o1 107316190 GGTLRLDXSDRBRZ-UHFFFAOYSA-N 210.664 2.675 0 30 BFAC COc1cc([C@H]2CCNC2)ccc1C(F)(F)F 217501718 XLLHJNAWJSSZPO-VIFPVBQESA-N 245.244 2.791 0 30 BFAC Cc1cccc(NC(=O)c2ccco2)c1C(=O)O 152175 XKPYDYNULACEJJ-UHFFFAOYSA-N 245.234 2.539 0 30 BFAC CC1(C)[C@@H](C(=O)O)[C@@]12C=Cc1ccccc12 5765602 RXTAQAPVUFGHOU-RISCZKNCSA-N 214.264 2.692 0 30 BFAC CC/C=C\CCC(=O)CCC1OCCCO1 38634432 WDDXOWKFBRTFGR-ARJAWSKDSA-N 226.316 2.845 0 30 BFAC Cc1cc2ncn([C@H](C)C(N)=S)c2cc1C 43514780 XEJNPKJANPPDCF-SECBINFHSA-N 233.340 2.500 0 30 BFAC in-vitro COC(=O)c1cc(C)nc(-c2cccc(C)n2)c1 95616730 ZCWQDYBOFKSIGM-UHFFFAOYSA-N 242.278 2.547 0 30 BFAC COC(=O)c1cc2c(cc1Cl)CCC2 521399620 OBTFSSNVQJEERJ-UHFFFAOYSA-N 210.660 2.615 0 30 BFAC CC(C)NCc1ccc(Br)o1 19880450 WXJJFGCZPJTVMF-UHFFFAOYSA-N 218.094 2.540 0 30 BFAC CCOC(=O)Cc1cccc2c(O)cccc12 146226982 ZFULGCLWINDOAH-UHFFFAOYSA-N 230.263 2.651 0 30 BFAC O=C(O)c1cccc(Oc2ccccc2O)c1 6095398 IOFDVSATOFHLLX-UHFFFAOYSA-N 230.219 2.883 0 30 BFAC Cc1cc(C(C)(C)N)ccc1Br 71533587 NGHCYTYIRDLKAX-UHFFFAOYSA-N 228.133 2.951 0 30 BFAC CN1CCC(C)(C)c2cc(C=O)ccc21 91692086 AAXGKLGYVGGLIO-UHFFFAOYSA-N 203.285 2.617 0 30 BFAC Cc1ccc(NC[C@H](C)CN(C)C)cc1 32209960 PYBGYAXYLGTHOK-LBPRGKRZSA-N 206.333 2.605 0 30 BFAC CCCCCC[C@@H](O)[C@H](O)CCCC 43505252 COLYTQSCHUMMSR-VXGBXAGGSA-N 202.338 2.869 0 30 BFAC COC(=O)c1cc2cccc(Cl)c2[nH]1 58823749 RCRPSJJKJAAOLE-UHFFFAOYSA-N 209.632 2.608 0 30 BFAC c1csc(-c2ccnc3nc[nH]c23)c1 89202946 WIPHNVWGXOHNEF-UHFFFAOYSA-N 201.254 2.686 0 30 BFAC CCCCC[C@H](CCCOC(C)=O)OC(C)=O 95619617 ZCDPXYMKJQTCSP-CYBMUJFWSA-N 244.331 2.842 0 30 BFAC endogenous,in-man N#Cc1ccc2nc(NC3CC3)c(Cl)nc2c1 144358651 KDMPQSACDSQYNG-UHFFFAOYSA-N 244.685 2.729 0 30 BFAC COc1ccc(C=Cc2ccnc(S)n2)cc1 2265278989 OYKUFCWWGGFEKT-UHFFFAOYSA-N 244.319 2.944 0 30 BFAC CCN1CC[C@H](c2c[nH]c3ccccc23)C1 2038557 GINDSTSZDIENFS-NSHDSACASA-N 214.312 2.977 0 30 BFAC COc1ccc2c(c1)Cc1ccccc1[C@@H]2CN 13536445 DTEPCKRLYVEVEM-INIZCTEOSA-N 239.318 2.690 0 30 BFAC in-vivo Cc1ccc2cc(C(=O)O)cc(C)c2n1 82769953 SMDUACGMHHATAR-UHFFFAOYSA-N 201.225 2.550 0 30 BFAC CC[C@H]1CC[C@](CC)(COC(C)=O)OC1 137378681 JKDKDEYZHCJMDU-NWDGAFQWSA-N 214.305 2.535 0 30 BFAC Oc1nc(-c2cccs2)n(-c2ccccc2)n1 5731554 GEYDKVPYYCKCKD-UHFFFAOYSA-N 243.291 2.701 0 30 BFAC Cc1ccc(Cc2ncc(CN)s2)cc1 51753046 FRTIKGZURBMZRW-UHFFFAOYSA-N 218.325 2.501 0 30 BFAC COc1ccc2c(c1)sc1nc(C)c(C=O)n12 96347111 ZMIRNWQHLVVOJZ-UHFFFAOYSA-N 246.291 2.679 0 30 BFAC FCCNCc1cc2ccccc2s1 308515526 NDIBLSIYBFKHAU-UHFFFAOYSA-N 209.289 2.960 0 30 BFAC Cc1sc(CN)nc1-c1ccccc1 3709636 ADGXGFFYNHQZLU-UHFFFAOYSA-N 204.298 2.577 0 30 BFAC CC1(C)OCC(C)(c2ccccc2)CO1 5762591 GAGMMTUVMITPBL-UHFFFAOYSA-N 206.285 2.727 0 30 BFAC CCCC[C@@H](CC)COCCCNCCCN 5821822 BUTDSIPPSDVHKV-CQSZACIVSA-N 244.423 2.548 0 30 BFAC CCC[C@H]1NCCc2cc(OC)c(OC)cc21 32099108 ZGRPJQFNQKRAHZ-GFCCVEGCSA-N 235.327 2.691 0 30 BFAC O=C(O)Cc1c(C(F)(F)F)[nH]c2ccccc12 32234279 QZRVCUOJFCWPCW-UHFFFAOYSA-N 243.184 2.814 0 30 BFAC CCCCCCC(=O)CCC(=O)OCC 37633367 MNGJUPPXQPRNJP-UHFFFAOYSA-N 214.305 2.869 0 30 BFAC CCC[C@H](O)CCC(=O)c1ccccc1 71606095 PHIDTZWVRHOPNN-LBPRGKRZSA-N 206.285 2.811 0 30 BFAC Brc1ccc2c(c1)NC[C@H]1C[C@@H]21 258199399 KEGDLDNIVJWMKV-HZGVNTEJSA-N 224.101 2.978 0 30 BFAC CN(C)c1cc(O)ncc1-c1ccccc1 397253150 QAEBPCOSCHUHQE-UHFFFAOYSA-N 214.268 2.520 0 30 BFAC C[C@@H](N)c1ccc2c(c1)CCC(C)(C)O2 11729990 NXUPNYBPMJGZJA-SECBINFHSA-N 205.301 2.810 0 30 BFAC COC(=O)c1ccc(-c2nccs2)cc1 16082589 AUKYMEYSRKQKSE-UHFFFAOYSA-N 219.265 2.597 0 30 BFAC CCOc1nccc(Nc2ccccc2)n1 39100177 KMJJOUGTJPHBOC-UHFFFAOYSA-N 215.256 2.619 0 30 BFAC CC[C@H]1C/C(=C\c2ccc(C)cc2)C(=O)N1 39101823 OYOIEURRDFMUSB-RPHSKFLZSA-N 215.296 2.677 0 30 BFAC Cc1cc2ccc(Br)cc2nc1N 32099228 SGLHAHWYCTYAKF-UHFFFAOYSA-N 237.100 2.888 0 30 BFAC Cc1cnc(OC(F)F)cc1Br 306700201 JHGZCRQUNZKJRB-UHFFFAOYSA-N 238.031 2.754 0 30 BFAC CC(C)(C)OOC(=O)/C=C/c1ccccc1 1612191 BPCBXWVRESTYBG-MDZDMXLPSA-N 220.268 2.973 0 30 BFAC COc1ccc(Cl)cc1C(=O)c1ccncc1 2524943 ATJHXCIKBZXJGP-UHFFFAOYSA-N 247.681 2.975 0 30 BFAC Nc1ccc2c(c1[N+](=O)[O-])CCc1ccccc1-2 32254210 WULDZHONTZJWGT-UHFFFAOYSA-N 240.262 2.943 0 30 BFAC Cc1cnc(CO)cc1CCCC1CC1 584629346 GPYXRGLRLRVFHE-UHFFFAOYSA-N 205.301 2.615 0 30 BFAC O[C@@H]1c2ccccc2COc2ccccc21 6929284 USEUIZFNMZIVML-CQSZACIVSA-N 212.248 2.661 0 30 BFAC CCCC(=O)OCC(C)(C)[C@@H](O)CCC 38642947 MILAEHMPRCLZIF-JTQLQIEISA-N 216.321 2.517 0 30 BFAC COc1cc(-c2ccccc2)c(OC)cc1N 38646653 ZCUNPZLHSGUNOI-UHFFFAOYSA-N 229.279 2.953 0 30 BFAC Fc1ccc(F)c(C[C@@H]2CCCCN2)c1 55243566 BRXLXFUVSAPNOZ-NSHDSACASA-N 211.255 2.649 0 30 BFAC FC1(c2ccccc2Cl)CCNCC1 59859897 PLUYHRKIWBPWFE-UHFFFAOYSA-N 213.683 2.888 0 30 BFAC in-vitro CC(C)c1cnccc1Br 72192692 IMJAFGDJGKKGML-UHFFFAOYSA-N 200.079 2.968 0 30 BFAC O=C(O)[C@@H]1CC[C@@H](Cc2ccccc2)C1 2265383677 OGRRXILDCADFLB-NWDGAFQWSA-N 204.269 2.730 0 30 BFAC O=C(O)C1(c2ncc(Cl)cc2Cl)CC1 306166053 LNILAHNEWXNQQK-UHFFFAOYSA-N 232.066 2.505 0 30 BFAC CCC1(CC)C[C@@H](N)CN1Cc1ccccc1 2265384490 LBSRDLWCSWVVMH-CQSZACIVSA-N 232.371 2.778 0 30 BFAC O=C(O)c1ccc(-c2ccns2)cc1 82929684 VGSYPDUJBVLGGI-UHFFFAOYSA-N 205.238 2.508 0 30 BFAC CC[C@@H]1CCCN(c2ncc(N)cc2C)C1 52812822 HNRUJLWISIHXSN-LLVKDONJSA-N 219.332 2.599 0 30 BFAC in-vitro N[C@H](c1ccccc1)[C@@H]1C[C@@H]1c1ccncc1 1536221834 JRQLDZRQWHDHMM-RBSFLKMASA-N 224.307 2.885 0 30 BFAC O=C1N[C@@H]([C@@H]2CC=CCC2)Nc2ccccc21 150112 KORVABRTGPOWDA-MFKMUULPSA-N 228.295 2.524 0 30 BFAC CC(C)(C)OC(=O)c1cc(F)ccc1F 68813119 MFHQVNQGHHWQSU-UHFFFAOYSA-N 214.211 2.920 0 30 BFAC COc1cccc(CP(=O)(OC)OC)c1 96395090 NKRDAOWMGXVBPN-UHFFFAOYSA-N 230.200 2.681 0 30 BFAC C[C@H](OCc1ccccc1)C(=O)C(F)(F)F 238855413 RPGNAVCEQVDRDC-QMMMGPOBSA-N 232.201 2.723 0 30 BFAC CC1=C(C)C(=O)N(c2cc(C)c(C)cc2C)C1=O 71368 QNGOYFVLOQVTSD-UHFFFAOYSA-N 243.306 2.821 0 30 BFAC CCCCOc1ccc(CC(=O)OCC)cc1 5514342 PUIBRHJUTVHVPI-UHFFFAOYSA-N 236.311 2.971 0 30 BFAC COc1c2ccoc2nc2c3c(ccc12)OCO3 15222598 SDPOFOYJCOPMMV-UHFFFAOYSA-N 243.218 2.718 0 30 BFAC biogenic,in-vitro C[C@@H](N[C@@H]1CCC[C@H]1C(=O)O)c1ccccc1 34570335 MMRSAYGEYXDDDE-RAIGVLPGSA-N 233.311 2.591 0 30 BFAC FC(F)(F)C1([C@@H]2CCCNC2)CCC1 2265385590 OCNUKDLENXMAKD-MRVPVSSYSA-N 207.239 2.719 0 30 BFAC Cc1cc2c(c(NC3=NCCO3)c1C)CCCC2 1852472 RIMWFIQWAZTNRF-UHFFFAOYSA-N 244.338 2.980 0 30 BFAC COc1cccc(-c2[nH]c(C)c(C(C)=O)c2N)c1 2013773 QMNQJBOTFXZHDC-UHFFFAOYSA-N 244.294 2.784 0 30 BFAC O=C(O)CC/C=C/CC/C=C/CCC(=O)O 5178451 WPSFKKQQTBEENR-GGWOSOGESA-N 226.272 2.609 0 30 BFAC Nc1cc(CCCc2ccccc2)ccn1 33608290 KPQUJNDMWHPOOX-UHFFFAOYSA-N 212.296 2.839 0 30 BFAC CS[C@H]1CCCN(C(=O)OC(C)(C)C)C1 307250630 PSYBTPUMOBCKDV-VIFPVBQESA-N 231.361 2.749 0 30 BFAC CC(C)OC(=O)[C@@H](C)OCc1ccccc1 92253027 XQSDGZJPMXZJSW-LLVKDONJSA-N 222.284 2.543 0 30 BFAC Cc1cncc(NC(=O)OCC(F)(F)F)c1 96300633 MNEUWWQXBRUVTA-UHFFFAOYSA-N 234.177 2.501 0 30 BFAC CC[C@@H](O)c1cc(Cl)cc2c1OCC2 123012935 MBAMPRVHYVNKDG-SNVBAGLBSA-N 212.676 2.718 0 30 BFAC COC(=O)Cc1nc(-c2ccc(C)cc2)oc1C 38954344 FQPFECCIWLWKER-UHFFFAOYSA-N 245.278 2.674 0 30 BFAC CCO[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 306153522 AWAPFZPXIMSPLW-XYPYZODXSA-N 243.347 2.859 0 30 BFAC Cc1cc(Br)ccc1[C@@H]1CO1 306975092 MXWVGBGBEWPVPF-VIFPVBQESA-N 213.074 2.829 0 30 BFAC CCCCCC[C@@H](O)CCCCC(=O)O 2008598 JSSMLGKWQYPKBS-LLVKDONJSA-N 216.321 2.963 0 30 BFAC biogenic S=C(S)c1c[nH]c(-c2ccccc2)n1 2585479 BPFXGDCUBZBEQF-UHFFFAOYSA-N 220.322 2.682 0 30 BFAC CC(C)Oc1ccc2c(c1)[C@@H](O)CCC2 54742933 HLTQZBOYDYKIRP-ZDUSSCGKSA-N 206.285 2.844 0 30 BFAC Clc1cccn2cc(Br)nc12 231774932 WPMYKPUXZYQQRH-UHFFFAOYSA-N 231.480 2.750 0 30 BFAC CC(C)Nc1ccc([C@@H](C)C(=O)O)cc1 3601699 JPWJQNMYXIHCRT-SECBINFHSA-N 207.273 2.695 0 30 BFAC C=C(C[C@H](CC(=O)O)C(=O)O)CC(C)(C)C 5351792 HGPJAQIBDADAEL-SECBINFHSA-N 228.288 2.544 0 30 BFAC biogenic CC(C)CCN1N=C(C(C)(C)C)CC1=O 100236561 LWUBOSNXNBQRNO-UHFFFAOYSA-N 210.321 2.667 0 30 BFAC Cc1ccncc1N(C)C(=O)OC(C)(C)C 495407563 LLHKQAXOXQYJOB-UHFFFAOYSA-N 222.288 2.761 0 30 BFAC NCCCn1c2ccccc2c2cc(N)ccc21 35837633 PZYGOVGYTRQHCP-UHFFFAOYSA-N 239.322 2.726 0 30 BFAC Cc1cccc(Oc2cc(Cl)nc(N)n2)c1 45023569 SNCFGLQQMNFMLB-UHFFFAOYSA-N 235.674 2.813 0 30 BFAC O=C(O)c1cc(CCCc2ccccc2)ccn1 33607440 DWROTCRJYBGTDY-UHFFFAOYSA-N 241.290 2.955 0 30 BFAC O=C(c1ccccc1)[C@H](F)C(F)(F)F 39055465 MGVPMFSYZYUVSV-QMMMGPOBSA-N 206.138 2.770 0 30 BFAC Cn1c(Br)ccc1C1CC1 40456559 SRHDWSBXVQFVCS-UHFFFAOYSA-N 200.079 2.665 0 30 BFAC NC[C@]1(Cc2ccccc2)C=CCCC1 642882206 BLZPWHGINJSPBI-CQSZACIVSA-N 201.313 2.914 0 30 BFAC O=C1N[C@H]([C@@H]2CC=CCC2)Nc2ccccc21 150116 KORVABRTGPOWDA-ZWNOBZJWSA-N 228.295 2.524 0 30 BFAC CC1CC(C(=O)O)(c2ccccc2F)C1 70068609 MHPSAQMLXSBARR-UHFFFAOYSA-N 208.232 2.578 0 30 BFAC O=C(O)[C@@]1(C(F)(F)F)CC2CCC1CC2 1536221418 DJNCULILOHKXIJ-QXUHLLMWSA-N 222.206 2.830 0 30 BFAC O=S(Oc1ccccc1)Oc1ccccc1 13545925 AVGYVDOSBJFXFR-UHFFFAOYSA-N 234.276 2.723 0 30 BFAC Cc1ccc2nc(NC(=O)CF)sc2c1 45237770 YQXSDRCYMSFCOE-UHFFFAOYSA-N 224.260 2.513 0 30 BFAC C[C@@H](C(=O)O)c1cccc(Br)c1F 84567022 LQTCWMJGZSGOGG-RXMQYKEDSA-N 247.063 2.776 0 30 BFAC Cc1cc(Br)c(F)cc1[C@@H](C)N 725343528 NEAMCMNMBCYVTR-ZCFIWIBFSA-N 232.096 2.916 0 30 BFAC O=C(OC1CCCCC1)c1ccccc1O 1599356 NUQDJSMHGCTKNL-UHFFFAOYSA-N 220.268 2.882 0 30 BFAC Cc1ccc([C@H](O)CNc2ccccn2)cc1 39111074 BKHXDQCCIYQMIK-CYBMUJFWSA-N 228.295 2.536 0 30 BFAC NCC[C@@H](c1ccccc1)C(F)(F)F 82718264 PTNGCGOVTKLNDS-VIFPVBQESA-N 203.207 2.681 0 30 BFAC in-vitro CCOC(=O)c1ccnc(-c2ccccc2)c1N 215173541 KKLRCLXEEGABAD-UHFFFAOYSA-N 242.278 2.508 0 30 BFAC CC(C)(C)C(=O)Nc1cnc(Cl)cc1C=O 34595768 NFPXRZAYLJWZRR-UHFFFAOYSA-N 240.690 2.532 0 30 BFAC CC(C)(C)OC(=O)Nc1ccc(F)c(CN)c1 51634886 QGCXKZXRTBGDHI-UHFFFAOYSA-N 240.278 2.631 0 30 BFAC COC(=O)c1ccc(Cl)c2ccoc12 196435559 KTGROFPZRDAWKV-UHFFFAOYSA-N 210.616 2.873 0 30 BFAC COc1cc(-c2ccccc2)nc(Cl)n1 205013497 OLIZURPVUNLPQT-UHFFFAOYSA-N 220.659 2.806 0 30 BFAC CCC(=O)[C@@H]1CCCN(c2cccc(F)c2)C1=O 1535191175 RHRGFTOXIOITPX-LBPRGKRZSA-N 249.285 2.548 0 30 BFAC COc1ccc2cc(C(F)(F)F)cnc2n1 2265385574 MOJITAKJFGZRSL-UHFFFAOYSA-N 228.173 2.657 0 30 BFAC CCNC(=O)c1cc(Br)ccc1C 83688924 MACCRQSLGRLBEO-UHFFFAOYSA-N 242.116 2.507 0 30 BFAC Cc1ccc(C(=O)[C@@H]2CCC[C@@H]2C(=O)O)cc1C 91676034 UPTWQRAGCGYSIG-OLZOCXBDSA-N 246.306 2.987 0 30 BFAC CN(Cc1ccccc1)C[C@@H]1C[C@@]2(O)CC[C@H]1C2 267330458 XVYHVKQLUCUKKQ-HRCADAONSA-N 245.366 2.670 0 30 BFAC O=C(O)C1(Cc2ccc(Cl)cc2)CC1 49814835 AEOJZEUDQMBIJS-UHFFFAOYSA-N 210.660 2.747 0 30 BFAC in-vitro Nc1nc(F)c(Cl)c(Cl)c1Cl 96034537 DYVOKXZUVMXBIB-UHFFFAOYSA-N 215.442 2.763 0 30 BFAC COc1ccccc1N=c1scc(C)n1C 263608300 TUTOJNRLMBSQCP-UHFFFAOYSA-N 234.324 2.636 0 30 BFAC CCOC(F)(F)C(F)(F)c1nccs1 1536220041 BSOAAAMKXGDUPW-UHFFFAOYSA-N 229.198 2.864 0 30 BFAC O=C(O)c1nc2ccccn2c1-c1ccccc1 36259029 DEPUTRNCIIPFNJ-UHFFFAOYSA-N 238.246 2.700 0 30 BFAC CCOc1ccc([C@H](C)OC(C)=O)cc1 39099599 MLVJFXUUKIMHNC-VIFPVBQESA-N 208.257 2.709 0 30 BFAC N[C@@H](c1cn2cc(Cl)ccc2n1)C(F)(F)F 1536113153 AVXDXWOIUJNWQE-QMMMGPOBSA-N 249.623 2.550 0 30 BFAC Oc1cccc(OCCOc2ccccc2)c1 2008438 JZAQIRCTLGLNPD-UHFFFAOYSA-N 230.263 2.850 0 30 BFAC Cc1ccc(C)c(-c2ccc(CO)cn2)c1 39927640 MZOWOXGOWLUTLP-UHFFFAOYSA-N 213.280 2.858 0 30 BFAC FC(F)(F)c1ccc2c(c1)CNCC21CC1 91368549 NEDCDHNCIXGLQJ-UHFFFAOYSA-N 227.229 2.840 0 30 BFAC CC1(C)CN(Cc2ccccc2)CC[C@H]1C(=O)O 259280677 OIOYFTOKSGEEOX-ZDUSSCGKSA-N 247.338 2.619 0 30 BFAC CC(C)=CCC/C(C)=C\CN(CCO)N=O 33954749 MQPLEPMKSZDUTO-GHXNOFRVSA-N 226.320 2.655 0 30 BFAC Cc1nc2c(ccc3nnsc32)s1 45238119 CVRDXIJQPJHKKL-UHFFFAOYSA-N 207.283 2.609 0 30 BFAC Oc1cc(Br)c2cccnc2c1 238716830 NKONTWGNWWBPQV-UHFFFAOYSA-N 224.057 2.703 0 30 BFAC c1cncc(-c2ccnc(-c3cccnc3)n2)c1 15446272 BKGOHYABGCTECA-UHFFFAOYSA-N 234.262 2.601 0 30 BFAC C[C@H](NCc1ccccc1)[C@H](O)c1ccccc1 31983089 BBPJQQNUQARKLX-BBRMVZONSA-N 241.334 2.898 0 30 BFAC CCOc1cc(C(F)(F)F)ccc1C=O 39100366 FPZRYFWJEWNUOY-UHFFFAOYSA-N 218.174 2.917 0 30 BFAC CN1CC[C@H](c2cn(C)c3ccccc23)C1 39109484 KRSFWPXOGFXIHK-NSHDSACASA-N 214.312 2.597 0 30 BFAC O=C(O)C1(C(F)(F)F)CC2(CCCC2)C1 958537913 CACPDNIHEFROAE-UHFFFAOYSA-N 222.206 2.974 0 30 BFAC C[C@@H]1Sc2ccccc2NC(=O)[C@H]1C 3126999 GTUFEXDPRZPSSZ-YUMQZZPRSA-N 207.298 2.755 0 30 BFAC O=C(O)[C@@H](C1CCCCCC1)N1CCCCC1 89564420 QOMTUBLLUQTHJI-CYBMUJFWSA-N 239.359 2.896 0 30 BFAC N[C@H](c1ccccc1)[C@H]1C[C@@H]1c1ccncc1 1536221832 JRQLDZRQWHDHMM-QLFBSQMISA-N 224.307 2.885 0 30 BFAC COc1cccc(NC(=O)OC(C)(C)C)c1O 140423683 KENBGUJPCAIZIE-UHFFFAOYSA-N 239.271 2.748 0 30 BFAC COc1ccc(C)cc1CC1CCNCC1 2555451 CIHDVOHLDCRNEZ-UHFFFAOYSA-N 219.328 2.546 0 30 BFAC CCCC(=O)O[C@@H](CCC)C(C)(C)CO 33609030 WQVVAFJBEFSECF-JTQLQIEISA-N 216.321 2.517 0 30 BFAC Cc1c(Br)cnc(Cl)c1F 238481441 VVZXYJONKWXXPU-UHFFFAOYSA-N 224.460 2.945 0 30 BFAC N[C@H](c1c(F)cc(F)cc1F)C(F)(F)F 19971834 IDGHJOFXJKTHAV-SSDOTTSWSA-N 229.123 2.666 0 30 BFAC C[C@@H]1CN=C2[C@H](C)c3ccccc3N2C1 39104912 QHOSWFBLBCVOGE-NXEZZACHSA-N 200.285 2.658 0 30 BFAC O=C(O)[C@H]1CC[C@H]1c1ccccc1Cl 87924461 VOKNTOGPWOSSAQ-CBAPKCEASA-N 210.660 2.918 0 30 BFAC Cc1cccc(-c2nc(C(F)(F)F)no2)c1O 138286817 GUYYNMBLVSOYGB-UHFFFAOYSA-N 244.172 2.769 0 30 BFAC Cc1nc(-c2ccc(CN)cc2)cs1 4219065 AFFGOTFVNVMPSM-UHFFFAOYSA-N 204.298 2.577 0 30 BFAC in-vitro O=[N+]([O-])c1cccc2c1ccn2C1CC1 224419460 ATMFQKBECIVQSW-UHFFFAOYSA-N 202.213 2.884 0 30 BFAC CCc1cccc(C)c1NC1=NCCC(=O)S1 90407 WDWGDJDKFUODKJ-UHFFFAOYSA-N 248.351 2.989 0 30 BFAC Sc1ncnc2c1sc1ncccc12 4365213 VKYNRKPPWBUDET-UHFFFAOYSA-N 219.294 2.528 0 30 BFAC CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)OCCO 33979285 JFKCVAZSEWPOIX-IJLUTSLNSA-N 244.331 2.593 0 30 BFAC endogenous,in-man C[C@H](O)c1sccc1Br 37180265 RHQVYCULRKDZLB-BYPYZUCNSA-N 207.092 2.564 0 30 BFAC CN1[C@H]2CC[C@@H]1C[C@@H](Nc1ccccc1)C2 238345704 QLQRBNQKXLOPPG-ZSOGYDGISA-N 216.328 2.724 0 30 BFAC Cc1ccc(C(=O)NC(=N)c2cccs2)cc1 20230356 STKJGOBGDNTGKJ-UHFFFAOYSA-N 244.319 2.812 0 30 BFAC CCc1ccc(Br)cc1O 95711260 SOYOJTHTGMOXGZ-UHFFFAOYSA-N 201.063 2.717 0 30 BFAC CON=Cc1c(-c2ccccc2)nn(C)c1Cl 254790236 HYXNGVQNUQAQOA-UHFFFAOYSA-N 249.701 2.721 0 30 BFAC CC(C)CCCCCCCOS(=O)(=O)O 5758317 FUWWLJDRAHEFLI-UHFFFAOYSA-N 238.349 2.802 0 30 BFAC biogenic O=C(CC(=O)C1CC1)c1ccc(Cl)cc1 104496984 JNEQJXIECDXYCO-UHFFFAOYSA-N 222.671 2.892 0 30 BFAC C[C@@H]1CCC[C@@](O)([C@@H](C(=O)O)c2ccccc2)C1 8613276 ZXADRCVGENLGTA-KYOSRNDESA-N 248.322 2.796 0 30 BFAC Oc1cccc(C2(C(F)(F)F)N=N2)c1 32220078 BGENIUKSOIBFBA-UHFFFAOYSA-N 202.135 2.573 0 30 BFAC CC(C)CCNCc1ccc(Cl)nc1 83347210 AZNDWCZHMNMFAY-UHFFFAOYSA-N 212.724 2.871 0 30 BFAC CCCOC(=O)[C@H](C)OC(C)(C)CC 34965264 KPUAQAYQMYWKBV-VIFPVBQESA-N 202.294 2.533 0 30 BFAC CC[C@H](C)C(=O)OCc1ccc2c(c1)OCO2 38636336 BDQVWTJEMUNXSJ-VIFPVBQESA-N 236.267 2.505 0 30 BFAC Cc1ccc(-c2cn3cc(CO)sc3n2)cc1 44138465 NEGGINXCNWWZIZ-UHFFFAOYSA-N 244.319 2.864 0 30 BFAC CCCOC1(c2ccccc2)CCNCC1 1581016 ODLGSHHBBCINCC-UHFFFAOYSA-N 219.328 2.692 0 30 BFAC CC#CC1=CC=C(C#CC#C[C@@H]2CO2)SS1 5194404 UNABNUQQYPYJEQ-LLVKDONJSA-N 244.340 2.578 0 30 BFAC biogenic CCOC(=O)/C=C/c1c(F)cc(F)cc1F 83291630 LSRPOWBVMKMIDK-ONEGZZNKSA-N 230.185 2.680 0 30 BFAC C[C@@H]1CN=C2[C@@H](C)c3ccccc3N2C1 100268758 QHOSWFBLBCVOGE-ZJUUUORDSA-N 200.285 2.658 0 30 BFAC O[C@H]1C(=Cc2ccc(Cl)cc2)N2CCC1CC2 2265279494 WRHOCFANFXIPAE-CQSZACIVSA-N 249.741 2.767 0 30 BFAC Nc1nccc(-c2cccc(Cl)c2F)n1 143042 RKKRYAJQHZLZOQ-UHFFFAOYSA-N 223.638 2.518 0 30 BFAC CCO/C=C/C(=O)Nc1cccc(Cl)c1 21987139 MKBYYYBTCBDUMM-VOTSOKGWSA-N 225.675 2.829 0 30 BFAC CC[Si](CC)(CCCN)c1ccccc1 195774156 AKEUYIUXJOXNOI-UHFFFAOYSA-N 221.420 2.731 0 30 BFAC CC(=O)N1[C@@H]2CCCC[C@H]2[C@H]2CCCC[C@H]21 256465834 WCFMVZYSXWPQCW-XJFOESAGSA-N 221.344 2.966 0 30 BFAC C[C@@](N)(c1ccc(F)cc1)C(F)(F)F 82670821 LBCZBSGCPUWHBE-MRVPVSSYSA-N 207.170 2.562 0 30 BFAC O=C(O)[C@@H](F)c1ccc(Br)cc1 108279478 PVNDTJHFYJONTA-ZETCQYMHSA-N 233.036 2.544 0 30 BFAC S=c1[nH][nH]cc2c3ccccc3nc1-2 139371608 LPPKPGSEAFWEOI-UHFFFAOYSA-N 201.254 2.725 0 30 BFAC in-vitro FC(F)(F)Oc1ccc([C@@H]2CCNC2)cc1 309310651 GSZQISCEDZZTGS-SECBINFHSA-N 231.217 2.662 0 30 BFAC CCC[C@@H]1O[C@H](O)[C@@H](CC)[C@@H](CCC)O1 31318302 OHFLMXOCEVFBCA-USZNOCQGSA-N 216.321 2.673 0 30 BFAC CSc1cc(Cl)nc(SC)n1 87638127 RQMRUYLUNFRFJJ-UHFFFAOYSA-N 206.723 2.574 0 30 BFAC CC(=O)c1csc(COc2ccccc2)n1 122627 KJZVZLATESJBAT-UHFFFAOYSA-N 233.292 2.925 0 30 BFAC Nc1cc(Cl)c(N2CCCC2=O)c(Cl)c1 22217258 YJIAUYQUFVLQMC-UHFFFAOYSA-N 245.109 2.702 0 30 BFAC CC(=O)C12CC(c3ccccc3)(C1)[C@H]2F 2265384720 PBWMPDBKWQBXLR-HIFPTAJRSA-N 204.244 2.645 0 30 BFAC O=C(O)c1ccc(C2(C(F)(F)F)CCC2)nc1 2265385626 SYOMRVOHQVAKEH-UHFFFAOYSA-N 245.200 2.764 0 30 BFAC c1ccc(CN2CCC(c3ccco3)=N2)cc1 172672 RZQQSZYTDKSCCU-UHFFFAOYSA-N 226.279 2.890 0 30 BFAC CCc1ccccc1C1=CCN(C)CC1 5956756 MEWZYEZVAPPYOR-UHFFFAOYSA-N 201.313 2.968 0 30 BFAC Cn1nccc1[C@H](O)C12CC3CC(CC(C3)C1)C2 69467003 LVPKFSSLNPSSEY-RVLYAHEQSA-N 246.354 2.670 0 30 BFAC in-vitro Cc1cc(CC(=O)O)cc(C)c1Br 217367241 GDFWZBQTNAWXRX-UHFFFAOYSA-N 243.100 2.693 0 30 BFAC CCC[C@@H](O)[C@@H](C)C(=O)c1ccccc1 21996947 YTMHKYDVBYQMHR-ZYHUDNBSSA-N 206.285 2.666 0 30 BFAC Cc1c(O)c(C)c2sc(N(C)C)nc2c1C 39127700 ILHMLNSHOVKINQ-UHFFFAOYSA-N 236.340 2.993 0 30 BFAC CC1(c2cccc(Cl)c2)CCNCC1 62951021 YMOUAAPMHJPNDO-UHFFFAOYSA-N 209.720 2.981 0 30 BFAC CC(C)(C)c1ncc(Br)o1 238131909 KJBSKVVIPIJHNK-UHFFFAOYSA-N 204.067 2.735 0 30 BFAC CN[C@H](C(=O)c1ccccc1)c1ccccc1 31982831 HHBQNUTWFDOORZ-AWEZNQCLSA-N 225.291 2.830 0 30 BFAC c1ccc(-n2nccc2-c2nccs2)cc1 72190504 XPOIWXPBHFDKOP-UHFFFAOYSA-N 227.292 2.996 0 30 BFAC CCCCCCOC(=O)c1c(O)cccc1O 96347658 FQXYDWYOOGRIQL-UHFFFAOYSA-N 238.283 2.835 0 30 BFAC C[S@@](=O)c1scc2c1C(=O)CC(C)(C)C2 4350289 LBCVKVVVAUJYPO-HNNXBMFYSA-N 242.365 2.641 0 30 BFAC Clc1nccc(N2Cc3ccccc3C2)n1 38579592 NKGCZTWDBXFGEH-UHFFFAOYSA-N 231.686 2.650 0 30 BFAC C[C@@H]1CCC(=O)[C@H](OCc2ccccc2)C1 1536221772 CELBBTBBXDIGRT-BXUZGUMPSA-N 218.296 2.961 0 30 BFAC C[C@H](C(=O)O)c1ccc([C@H]2OC2(C)C)cc1 22063118 SKAHDOGTKBOBNX-GZMMTYOYSA-N 220.268 2.725 0 30 BFAC in-vitro O[C@]1(C2SCCCS2)C=CCCC1 34597540 BXAYQNWOCOYACP-SNVBAGLBSA-N 216.371 2.654 0 30 BFAC O=C(O)C[C@H](O)c1ccc(Cl)c(Cl)c1 52249068 XQNPGHLOSZWLSD-QMMMGPOBSA-N 235.066 2.502 0 30 BFAC CC1(C)CN(CC[C@H]2CCCC2=O)CCS1 133380606 TVTNMVAKEWSKDL-LLVKDONJSA-N 241.400 2.573 0 30 BFAC CC(=O)c1c(F)cccc1OC(F)(F)F 306581763 PURBCQJFEIKLNN-UHFFFAOYSA-N 222.137 2.927 0 30 BFAC C[C@H]1CCO[C@@H](/C=C/c2ccccc2)O1 1874299 LSEPTNAIKXLPFK-GPTOWFIXSA-N 204.269 2.851 0 30 BFAC COC(=O)[C@H](C)c1ccccc1Br 115920336 RLRRZBSMJSVWMB-SSDOTTSWSA-N 243.100 2.726 0 30 BFAC in-vitro NC[C@@]1(Cc2ccccc2)C=CCCC1 642882205 BLZPWHGINJSPBI-AWEZNQCLSA-N 201.313 2.914 0 30 BFAC Cc1ccc(SC(=O)N2CCOCC2)cc1 127546 ZXCFBGSUHBTPKS-UHFFFAOYSA-N 237.324 2.539 0 30 BFAC CSC(=S)c1cccc2nnsc12 2585436 JGVNRDZUJSGGPO-UHFFFAOYSA-N 226.351 2.730 0 30 BFAC N[C@@H](Cc1ccncc1)CC1CCCC1 60708893 RGMSBSSAMZUKHU-CYBMUJFWSA-N 204.317 2.532 0 30 BFAC CCOC(=O)c1cnn(C2CCCCC2)c1 82193404 PMKUCNVWVOFBLR-UHFFFAOYSA-N 222.288 2.565 0 30 BFAC CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@@H]2N 89064392 HVXVGAKDEJZVIE-LBPRGKRZSA-N 248.326 2.980 0 30 BFAC in-vitro Cc1cccc(C)c1C(=O)[C@@H]1CCC[C@@H]1C(=O)O 91676030 YJKRDFOFRNIAIY-NEPJUHHUSA-N 246.306 2.987 0 30 BFAC O=C(N[C@@H]1CCSC1)c1cccc(Cl)c1 141792 SMUALVGEAPIQET-SNVBAGLBSA-N 241.743 2.575 0 30 BFAC C[C@H](C(=O)O)c1ccc([C@@H]2OC2(C)C)cc1 22063112 SKAHDOGTKBOBNX-KWQFWETISA-N 220.268 2.725 0 30 BFAC in-vitro Cn1cc([C@@H]2CCCNC2)c2ccccc21 39109480 ZALNUJQHMWCRDL-LLVKDONJSA-N 214.312 2.645 0 30 BFAC c1ccc([C@H]2CCCN[C@H]2CN2CCCC2)cc1 49587229 GRHCSNBNLAGXFU-CVEARBPZSA-N 244.382 2.618 0 30 BFAC C[C@@H](N)CSc1ccc(Cl)cc1 3627674 MKEHXNREBXQVOL-SSDOTTSWSA-N 201.722 2.779 0 30 BFAC CCCCN(CCCC)C[C@@H](C)C(=O)OC 33606117 JWMZBTCOXOGERJ-GFCCVEGCSA-N 229.364 2.698 0 30 BFAC CCCC(=O)O[C@H](CC)[C@H](C)COC(=O)CC 38647910 FWDZBBIKQATTEH-GHMZBOCLSA-N 244.331 2.698 0 30 BFAC CNC1([C@H](O)c2ccccc2C)CCCC1 39110110 JQEPDSPSYDSOHK-CYBMUJFWSA-N 219.328 2.561 0 30 BFAC CCOC(=O)c1cccc(-c2cccnc2)c1 44138134 IHBQNWQTSYNXOJ-UHFFFAOYSA-N 227.263 2.925 0 30 BFAC CC(=O)c1ccc(OC(F)F)cc1C 118525167 KIOHHRYPIBYDHR-UHFFFAOYSA-N 200.184 2.799 0 30 BFAC Cc1cc(Cl)n(-c2ccc(F)cc2)n1 2653473 RRVVOJZLKYEREW-UHFFFAOYSA-N 210.639 2.973 0 30 BFAC CS[C@H]1[C@H]2CC[C@@](C)([C@H]1O)C2(C)C 34415160 FTSZDJKYAIMZNI-HJGDQZAQSA-N 200.347 2.535 0 30 BFAC CC(C)Oc1ccccc1C(C)(C)CN 87934645 JJFKHAHZRIZKAS-UHFFFAOYSA-N 207.317 2.710 0 30 BFAC FC(F)(F)c1cc2c(Cl)ncnc2[nH]1 1565504661 NAKVHEWRZBCYMW-UHFFFAOYSA-N 221.569 2.630 0 30 BFAC O=C(Nc1ccccc1)c1cc(F)ccc1O 6581298 HMRAVDBVQPMMAD-UHFFFAOYSA-N 231.226 2.784 0 30 BFAC COc1ccccc1[C@@H]1CCC[C@H](C)N1 70632604 YOHJTVXQVSRDOF-JQWIXIFHSA-N 205.301 2.898 0 30 BFAC Brc1nnc([C@H]2CCCCO2)s1 71051635 BQHVDSFILOWOAU-RXMQYKEDSA-N 249.133 2.542 0 30 BFAC COc1ccccc1C[C@H]1CCCCCN1 3734965 MLKKLLTZVLQPNS-CYBMUJFWSA-N 219.328 2.770 0 30 BFAC in-vitro CC(=O)OC1(c2ccccn2)CCCCC1 33608221 OBWWYNFWJUGTMA-UHFFFAOYSA-N 219.284 2.804 0 30 BFAC CN(CC[C@H](N)C(C)(C)C)C(=O)OC(C)(C)C 406455285 QIFZPBNRTKSNLK-JTQLQIEISA-N 244.379 2.617 0 30 BFAC CC(C)(C)n1nccc1-c1ccncc1 72190543 DAUIPKGBDFZZKO-UHFFFAOYSA-N 201.273 2.700 0 30 BFAC CN1CCC2=Cc3ccccc3S[C@@H]2C1 1070084387 JASQBQWOANDAND-CYBMUJFWSA-N 217.337 2.880 0 30 BFAC C[C@H](N)CSc1ccc(Cl)cc1 3627672 MKEHXNREBXQVOL-ZETCQYMHSA-N 201.722 2.779 0 30 BFAC Cc1cc(C)c(OCCNC2CC2)c(C)c1 39110150 HLLUZGXENANNFY-UHFFFAOYSA-N 219.328 2.743 0 30 BFAC Cn1c2c(c3ccc(C=O)cc31)CCCC2 196203820 SIATUFFJEXUDPY-UHFFFAOYSA-N 213.280 2.870 0 30 BFAC COc1c(S)cccc1Br 238441666 XQAMDVGYOBNCDM-UHFFFAOYSA-N 219.103 2.746 0 30 BFAC COc1ccc2cc(C[C@@H](C)N)ccc2c1 19402401 YYZOZFYDYBTLPQ-SNVBAGLBSA-N 215.296 2.738 0 30 BFAC in-vivo O=C(Nc1ccc(F)cc1F)c1ccccc1O 19839782 ODTXYAGVNHCSKH-UHFFFAOYSA-N 249.216 2.923 0 30 BFAC Cc1c(N)cccc1CC1CCC(N)CC1 33609116 MBERKBLRAGDOFR-UHFFFAOYSA-N 218.344 2.637 0 30 BFAC CC1=N/C(=C/c2ccc(C)c(C)c2)C(=O)O1 128293 ZAJZIYJBZNYOAS-KPKJPENVSA-N 215.252 2.620 0 30 BFAC Cc1cccc(CN2CCC[C@H](C(=O)O)C2)c1C 3750150 IGOSXSUTEATQTM-AWEZNQCLSA-N 247.338 2.600 0 30 BFAC Cn1c(C(=O)NC2CC2)cc2ccc(Cl)cc21 40788899 ICESAECSLAHRDI-UHFFFAOYSA-N 248.713 2.724 0 30 BFAC COc1ccc(-c2sc(C)nc2C(=O)O)cc1 41302894 DYOYZQJUJDODOT-UHFFFAOYSA-N 249.291 2.825 0 30 BFAC O=[S@@](c1ccc(F)cc1F)C(F)(F)F 90558034 OFKCXROIPBJVEU-CQSZACIVSA-N 230.157 2.592 0 30 BFAC COc1ccc2c(OC)cccc2c1C=O 2265383565 BKGMGTQCFHUDHQ-UHFFFAOYSA-N 216.236 2.670 0 30 BFAC COc1ccc([C@H]2C[C@H](C)CN2)c(C)c1C 3704415 DMYWBWPJMGFYQI-TVQRCGJNSA-N 219.328 2.983 0 30 BFAC COc1ccccc1Oc1nccs1 33506470 HMYOSXCMLRLQFV-UHFFFAOYSA-N 207.254 2.944 0 30 BFAC C[C@H](N)c1cc2cc(Br)ccc2[nH]1 83132526 KLDQUFGYDBRYGS-LURJTMIESA-N 239.116 2.950 0 30 BFAC COC(=O)C(C)(C)Oc1ccc(C)c2c1CCC2 78966 PZMPZGSDWQPHGJ-UHFFFAOYSA-N 248.322 2.814 0 30 BFAC COC(=S)Nc1ccc(Cl)cc1C 138359 HQNWXUWUEVDVOB-UHFFFAOYSA-N 215.705 2.992 0 30 BFAC CSc1nc(C23CC4CC(CC(C4)C2)C3)n[nH]1 4382663 CGNKAETXHIOOLB-UHFFFAOYSA-N 249.383 2.994 0 30 BFAC N[C@@H](c1c(F)cc(F)cc1F)C(F)(F)F 19971833 IDGHJOFXJKTHAV-ZETCQYMHSA-N 229.123 2.666 0 30 BFAC CC(C)(C)c1ccc2c(c1)[C@@H](N)CCO2 36928660 DDJDIGRZLPYWRP-NSHDSACASA-N 205.301 2.766 0 30 BFAC CCc1cc2cc(OC)c(OC)cc2cn1 39119740 XMRVPIOYSAGZAG-UHFFFAOYSA-N 217.268 2.814 0 30 BFAC CC(C)[C@H]1NC[C@@]12CCCN2Cc1ccccc1 958642874 LQQXIWLPMIOGNZ-CVEARBPZSA-N 244.382 2.649 0 30 BFAC CCCN(C)[C@H](CN)c1ccc(Cl)cc1 20226027 ZMUSIVGUKBUGIE-GFCCVEGCSA-N 226.751 2.682 0 30 BFAC in-vitro O[C@@H]1CCCc2cccc(Br)c21 21988225 VGKQBLJDZZWFRS-SECBINFHSA-N 227.101 2.819 0 30 BFAC Nc1nc(Cl)c(-c2ccccc2)cc1[N+](=O)[O-] 101213366 WTLDXLNKLYBDNV-UHFFFAOYSA-N 249.657 2.892 0 30 BFAC Cn1c(Cl)nc2cc(Br)ccc21 211345780 FLGSQFLDEHSMGS-UHFFFAOYSA-N 245.507 2.989 0 30 BFAC Cc1cc(Br)cc2cc(CN)oc12 63061864 RMDOTIGSEBBNJR-UHFFFAOYSA-N 240.100 2.962 0 30 BFAC in-vitro CCN(OC(F)(F)F)c1ccccc1 82046463 FUEXADKGEWRGIJ-UHFFFAOYSA-N 205.179 2.964 0 30 BFAC CCn1c(C)nc2cc(C(C)=O)ccc21 2160024 DKLFJFVIYXXTEQ-UHFFFAOYSA-N 202.257 2.567 0 30 BFAC Cc1ccc([C@@H](O)CNc2ccccn2)cc1 39111075 BKHXDQCCIYQMIK-ZDUSSCGKSA-N 228.295 2.536 0 30 BFAC N=c1ccc2cc(OC(F)(F)F)ccc2[nH]1 521400464 NNCNPTQDIOWJPB-UHFFFAOYSA-N 228.173 2.546 0 30 BFAC O=C(N[C@H]1CC2CCC1CC2)c1ccccc1 136579 PKNKWNDXBCGMBJ-YIZWMMSDSA-N 229.323 2.995 0 30 BFAC Cn1ccnc1-c1cccc(Br)c1 41278037 OFQQPGKBMLETGG-UHFFFAOYSA-N 237.100 2.850 0 30 BFAC Cc1sc(C2OCCO2)cc1Br 71617938 YJVGVDPVGGHSBR-UHFFFAOYSA-N 249.129 2.864 0 30 BFAC O=C(O)c1ccc(-c2ccccc2F)[nH]1 74204015 OCZSUKOMZPCEJE-UHFFFAOYSA-N 205.188 2.519 0 30 BFAC NCC1(CCCOCc2ccccc2)CC1 306399564 NNJIDMAIGQWTER-UHFFFAOYSA-N 219.328 2.722 0 30 BFAC CC[C@@H](C(=O)O)c1cc(F)c(F)c(F)c1 306522072 LIDZBQHINUGCNK-ZCFIWIBFSA-N 218.174 2.682 0 30 BFAC Nc1ccccc1NC(=O)c1c(F)cccc1F 138349 GWJNCYPFPAETBX-UHFFFAOYSA-N 248.232 2.799 0 30 BFAC C[C@@]1(Cl)C[C@@H](c2ccccc2)OC1=O 5764299 IVPWPXOKZYCQNZ-GXSJLCMTSA-N 210.660 2.672 0 30 BFAC CC(C)n1ncc(C(=O)O)c1-c1ccccc1 42188437 WZOJXPDBRDXLHM-UHFFFAOYSA-N 230.267 2.829 0 30 BFAC in-vitro COCc1sccc1Br 43679164 IZXLAGORVSFZLK-UHFFFAOYSA-N 207.092 2.657 0 30 BFAC in-vitro O=C(O)/C=C/c1ccsc1Br 140778112 METLRSWNNQAFIG-OWOJBTEDSA-N 233.086 2.608 0 30 BFAC O=C1c2ccccc2C[C@@H]1C(F)(F)F 38916857 UFHAZSIGRQHKKD-QMMMGPOBSA-N 200.159 2.604 0 30 BFAC CCc1cc(Br)cc(F)c1O 39102135 QVMWUWJHZXSRTF-UHFFFAOYSA-N 219.053 2.856 0 30 BFAC Cc1cc(C)cc(-c2cccc(CN)n2)c1 82641954 KQLIVTWLMJEKQH-UHFFFAOYSA-N 212.296 2.824 0 30 BFAC CCCCOC(=O)c1ncccc1Cl 145167181 XBEAMPKQWOQLAG-UHFFFAOYSA-N 213.664 2.692 0 30 BFAC COc1ccc(CN2Cc3cccnc3C2)cc1 91366487 BKVNXEOEFIKMDE-UHFFFAOYSA-N 240.306 2.606 0 30 BFAC COC(=O)c1cccc2c1SCCC2 220481148 NZJXVVYFVFUDQC-UHFFFAOYSA-N 208.282 2.512 0 30 BFAC CCCCC1=C(OCC)[C@H]1C(=O)OCC 45805895 JMRUBKAHVLQCPB-JTQLQIEISA-N 212.289 2.660 0 30 BFAC COC(=O)c1cccc(-c2ccc(N)cc2)c1F 143690586 UAMUAZQIQXHTGS-UHFFFAOYSA-N 245.253 2.862 0 30 BFAC O=C1O[C@@H]2CCCC[C@H]2N1Cc1ccccc1 196971760 MZXUZSNVBLEJKL-CHWSQXEVSA-N 231.295 2.950 0 30 BFAC CC(C)CCOC(=O)Nc1cccc(O)c1 1756455 XQGRRRUKOWQZKI-UHFFFAOYSA-N 223.272 2.987 0 30 BFAC COC(=O)[C@@H](C)Nc1ccccc1C(F)(F)F 43626028 QPRNEWXQZSNSLP-SSDOTTSWSA-N 247.216 2.679 0 30 BFAC NCc1cc(Br)c(Cl)cc1F 217003072 ABLAVZBUCUPTBI-UHFFFAOYSA-N 238.487 2.700 0 30 BFAC CCOC(=O)[C@@H](C)Cc1ccccc1C 521399626 VAYZZMQSAPAGNY-NSHDSACASA-N 206.285 2.737 0 30 BFAC Cc1c(CC(=O)O)cc(-c2ccccc2)n1C 3630617 YWPRKCLPTAUMNB-UHFFFAOYSA-N 229.279 2.628 0 30 BFAC CCC(=O)Nc1ccc([C@@H](O)C(F)(F)F)cc1 3643401 NKBABNRRDTZGJV-SNVBAGLBSA-N 247.216 2.631 0 30 BFAC O=C(O)c1ccc(-c2cccs2)cn1 41213381 SWZKIXNHZZCQOK-UHFFFAOYSA-N 205.238 2.508 0 30 BFAC C[C@@H]1CN(c2cc(Cl)ccc2Cl)CCN1 54348259 QPINKUGIYQFWOL-MRVPVSSYSA-N 245.153 2.792 0 30 BFAC CC(=O)Nc1ccc(C(C)=O)c(Cl)c1 71602592 XUQMKUAJGHLWEP-UHFFFAOYSA-N 211.648 2.501 0 30 BFAC Cc1cccc(C)c1N1CCCC=CC1=O 212644783 MOZRUAQMNSSBSM-UHFFFAOYSA-N 215.296 2.986 0 30 BFAC in-vitro CCc1c(C(=O)O)c2cc(F)ccc2n1C 215856236 UXCBLMVKZGWIMF-UHFFFAOYSA-N 221.231 2.578 0 30 BFAC Clc1cc2[nH]nc(Cl)c2c(Cl)n1 514253338 ZJHKWYCHKYEUEI-UHFFFAOYSA-N 222.462 2.918 0 30 BFAC Cc1cc(CN2C[C@H](C)O[C@H](C)C2)cc(C)c1O 20413073 ATKGIAOFPRSGHG-BETUJISGSA-N 249.354 2.618 0 30 BFAC CCc1ccc(/C=C2\C[C@H](C)NC2=O)cc1 39101824 MWWLLSRNQVCXEM-YWEFTTLKSA-N 215.296 2.541 0 30 BFAC O=C(O)c1c(Cl)cccc1OC(F)F 114413048 ZHCLWDOBHWDUPT-UHFFFAOYSA-N 222.574 2.640 0 30 BFAC Brc1ccc2c(c1)NC[C@H]1C[C@H]21 258199403 KEGDLDNIVJWMKV-MUWHJKNJSA-N 224.101 2.978 0 30 BFAC CC(=O)Oc1ccccc1CC(=O)c1ccco1 299803418 OSQZDFAMHXKGOA-UHFFFAOYSA-N 244.246 2.630 0 30 BFAC C[C@H](NCC(C)(C)C)[C@@H]1COc2ccccc2O1 5735383 JPDSUSRTWKLSDJ-FZMZJTMJSA-N 249.354 2.851 0 30 BFAC Cc1ccc2c(c1)O[C@@H](C(C)C)CC2=O 32173138 RSLYWFYUMICTMC-GFCCVEGCSA-N 204.269 2.985 0 30 BFAC CC(C)(O)c1cccc(C(F)(F)F)c1 55191788 BMUCYRUWKGJHFA-UHFFFAOYSA-N 204.191 2.933 0 30 BFAC CCc1nc2c(OC)ccc(OC)c2nc1CC 12339225 DEYXQPUAEKZWTF-UHFFFAOYSA-N 246.310 2.772 0 30 BFAC C[C@@H]1Cc2cc(Br)cc(F)c2CN1 70653042 TUBYECOVRSUIGJ-ZCFIWIBFSA-N 244.107 2.622 0 30 BFAC CCOC(C[C@@H](CC)OCC)OCC 5925557 PWKMTQDJPIKIPC-SNVBAGLBSA-N 204.310 2.591 0 30 BFAC Cc1cc(NC2CCOCC2)ccc1F 61117147 VCOLAXVCILTGPY-UHFFFAOYSA-N 209.264 2.725 0 30 BFAC CC(=O)C[C@@H]1O[C@H]2CC=C(C)[C@H]1C2(C)C 205050721 CRDSTVMKARKLAQ-SDDRHHMPSA-N 208.301 2.725 0 30 BFAC COc1ccc(-c2ccc[nH]2)cc1OC 536555919 WAQHIXKEGPXGPZ-UHFFFAOYSA-N 203.241 2.699 0 30 BFAC Oc1cc(-c2ccccc2)nnc1Cl 39410887 WLYUVEILZKSWBG-UHFFFAOYSA-N 206.632 2.503 0 30 BFAC COc1cccc([C@@H]2CCNC2(C)C)c1 51954911 SRLTWORBSKGUEN-LBPRGKRZSA-N 205.301 2.551 0 30 BFAC COc1ccc2cc([C@H](C)CN)oc2c1 75068583 RYTXTGUACXSSDA-MRVPVSSYSA-N 205.257 2.504 0 30 BFAC CC[C@@H](C)[C@H](CCCCCC(=O)O)C(=O)O 143022737 LOGXGMZHHKPLEQ-ZJUUUORDSA-N 230.304 2.768 0 30 BFAC in-vitro CC(=O)N1[C@H]2CCCC[C@H]2[C@H]2CCCC[C@H]21 256465830 WCFMVZYSXWPQCW-KPWCQOOUSA-N 221.344 2.966 0 30 BFAC O=C(NCC1CC1)Nc1cccc(Cl)c1 157606 JONZOIZENHCLFR-UHFFFAOYSA-N 224.691 2.872 0 30 BFAC FC(F)Oc1ccc(-c2ccno2)cc1 83617995 LBNCEHQZKIXOBF-UHFFFAOYSA-N 211.167 2.943 0 30 BFAC in-vitro O=C(O)c1ccc(Cl)nc1Nc1cccnc1 109598149 ADUPEJFEAHCPQL-UHFFFAOYSA-N 249.657 2.572 0 30 BFAC Cc1ccccc1-c1cnccc1C(=O)O 2524962 KDCSJERZLIJPLK-UHFFFAOYSA-N 213.236 2.755 0 30 BFAC CCOC(C[C@H](CC)OCC)OCC 5922844 PWKMTQDJPIKIPC-JTQLQIEISA-N 204.310 2.591 0 30 BFAC CC(=O)CC(=O)[C@@H]1C(C)=CCCC1(C)C 33506508 RDXJHZKPBWOPGF-LBPRGKRZSA-N 208.301 2.917 0 30 BFAC O=C1Nc2cc(F)ccc2Cc2ccccc21 34064709 YQTZBLXJYKSQBS-UHFFFAOYSA-N 227.238 2.982 0 30 BFAC C=C=C[C@@H](NC(=O)OC(C)(C)C)C(C)C 39093498 MBPPPZBIGINEAO-SNVBAGLBSA-N 211.305 2.877 0 30 BFAC Oc1ccccc1-c1cnc(Cl)cn1 66352075 FNHUZEPKSGVSQG-UHFFFAOYSA-N 206.632 2.503 0 30 BFAC Cc1cn2c(C)c(Br)ccc2n1 228009495 ZICACMNDHXREOT-UHFFFAOYSA-N 225.089 2.714 0 30 BFAC CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1 165383 UWTZSMKXSLXOLW-UHFFFAOYSA-N 241.294 2.708 0 30 BFAC CC/C=C\CCOC(=O)c1cccnc1 38637308 LSLWGXIBZARONO-ARJAWSKDSA-N 205.257 2.595 0 30 BFAC Clc1nc2nc(Br)ccc2o1 216824372 NGHUDMNVAHITBV-UHFFFAOYSA-N 233.452 2.639 0 30 BFAC CNC(=S)Nc1cc(Cl)cc(Cl)c1 88790 UUJBLHRGUQRUKM-UHFFFAOYSA-N 235.139 2.910 0 30 BFAC CC(C)NC(=O)[C@]1(C(C)C)CCC[C@@H]1C 6037565 UURITHKBXNEWEF-AAEUAGOBSA-N 211.349 2.973 0 30 BFAC O=C(O)C=CCCCCCCCCC(=O)O 13507065 MAZWDMBCPDUFDJ-UHFFFAOYSA-N 228.288 2.833 0 30 BFAC biogenic CC(C)Cn1c(=O)ccc2ccccc21 32188835 RCWGFXJJPCHNCO-UHFFFAOYSA-N 201.269 2.658 0 30 BFAC CNc1nc2cc(Br)ccc2o1 62529375 MIJRMRFXDUUUFM-UHFFFAOYSA-N 227.061 2.632 0 30 BFAC in-vitro Fc1cc(Br)c2c(c1)CCO2 75882940 YMTDRJZBYRHXTD-UHFFFAOYSA-N 217.037 2.523 0 30 BFAC CCOC(OCC)Oc1ccc(C)cc1 223198806 SPSNQONPKHFHDO-UHFFFAOYSA-N 210.273 2.730 0 30 BFAC in-vitro O=C(O)c1cc(-c2cccc3c2CCC3)no1 258523043 UAPZJMPPGJNRQX-UHFFFAOYSA-N 229.235 2.529 0 30 BFAC Cc1ccc(CNc2nnc(S)s2)cc1 104587 GAVAQMNCJJHKTK-UHFFFAOYSA-N 237.353 2.747 0 30 BFAC CC[C@]1(c2cccc(OC)c2)CCCCNC1=O 157633 QHRHMXLAEBLVPG-OAHLLOKOSA-N 247.338 2.643 0 30 BFAC CN(C)C=Cc1onc(-c2ccccc2)c1C#N 83311194 AGJHGAJHGLQLHV-UHFFFAOYSA-N 239.278 2.746 0 30 BFAC CSCC1CCN(C(=O)OC(C)(C)C)CC1 117484756 KIRMNFFNLWENFV-UHFFFAOYSA-N 245.388 2.997 0 30 BFAC Cc1nc2c(Br)c(N)ccc2s1 136305749 JELKCCNPRMGQID-UHFFFAOYSA-N 243.129 2.949 0 30 BFAC Cc1cc(C)nc(NCc2ccccc2CO)c1 223482759 CGMCYHOVZGUYFA-UHFFFAOYSA-N 242.322 2.803 0 30 BFAC c1ccc(CN2CC[C@@H]3CCCO[C@H]3C2)cc1 306631259 NAONCAAJZIXQIV-GJZGRUSLSA-N 231.339 2.688 0 30 BFAC in-vitro CC(=O)C(CC=Cc1ccccc1)C(C)=O 2265228147 PGEPOVPAPVUGAJ-UHFFFAOYSA-N 216.280 2.884 0 30 BFAC Cc1cc2ccccc2c(S(=O)(=O)O)c1C 33506153 SDRWSOSZWGTKEF-UHFFFAOYSA-N 236.292 2.703 0 30 BFAC C[C@H]1CNCCN1c1ccc(C(F)(F)F)cc1 34633143 GDUWSJMPXLBYPG-VIFPVBQESA-N 244.260 2.504 0 30 BFAC CC(=O)c1ccc(-c2cc(O)ccc2O)cc1 37624976 FVXMJHNNESHJEJ-UHFFFAOYSA-N 228.247 2.967 0 30 BFAC CCc1ccc(C(=O)[C@@H]2CCC[C@@H]2C(=O)O)cc1 91676018 HGHVZZVSKMIYNN-OLZOCXBDSA-N 246.306 2.933 0 30 BFAC O=C(O)c1cc(C(F)F)ccc1Cl 214768204 BQKBNUYFHFTKPA-UHFFFAOYSA-N 206.575 2.976 0 30 BFAC Fc1cnc(Br)c(C(F)F)c1 238675086 CGVXBIMIGPAAHL-UHFFFAOYSA-N 225.995 2.921 0 30 BFAC Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N(C)C 6070133 OKCMWDCQCIAGAQ-VIFPVBQESA-N 241.718 2.504 0 30 BFAC COC(=O)c1ccc(-c2ccccc2OC)o1 21983133 TVZHPPVFNVOWII-UHFFFAOYSA-N 232.235 2.742 0 30 BFAC CCc1ccc(-c2noc(S)n2)cc1 61881149 UXMYOOKUQNYFHW-UHFFFAOYSA-N 206.270 2.588 0 30 BFAC in-vitro Clc1cnc2cc(Br)ccn12 148393204 UGYCLDRNWUACJK-UHFFFAOYSA-N 231.480 2.750 0 30 BFAC CSc1sc2ncccc2c1C(=O)O 165940713 GCXVZYUQHUAQNQ-UHFFFAOYSA-N 225.294 2.716 0 30 BFAC CCOC(=O)[C@H]1CCc2cc(Cl)ccc2O1 5857641 WZZUMAXLNPKBKD-LLVKDONJSA-N 240.686 2.597 0 30 BFAC CC(C)(C)c1noc(C2CCC(=O)CC2)n1 70996589 RNXBAPKINSVSJX-UHFFFAOYSA-N 222.288 2.594 0 30 BFAC CCOC(=O)C=C1C2CC3CC(C2)CC1C3 32220117 YVNAFECGMVREFD-UHFFFAOYSA-N 220.312 2.932 0 30 BFAC CC(C)Oc1cc(O)cc(Br)c1 42750100 QRSRHSIWJODVED-UHFFFAOYSA-N 231.089 2.942 0 30 BFAC in-vitro Cc1ccc(Br)c(CCC(=O)O)c1 84551505 PVSXBQBQFNUGMA-UHFFFAOYSA-N 243.100 2.775 0 30 BFAC CCCO[C@@H](C(=O)OC)c1ccc(F)cc1C 685945582 ITNVKTOSLYOCJR-GFCCVEGCSA-N 240.274 2.775 0 30 BFAC Clc1cc(Cl)cc(O[C@@H]2CCNC2)c1 34082123 IYISORFGLPXZEH-SECBINFHSA-N 232.110 2.734 0 30 BFAC OCc1ccc(-c2ccc(Cl)cc2)nc1 35630053 MMCDJBDKJYYPGO-UHFFFAOYSA-N 219.671 2.894 0 30 BFAC CC(C)SC[C@H](N)Cc1ccc(F)cc1F 83489095 MQSPKEVXCUKFBY-LLVKDONJSA-N 245.338 2.976 0 30 BFAC Cc1ccnc(C2CN(C(=O)OC(C)(C)C)C2)c1 91353094 HUMOXVLUWGDUAF-UHFFFAOYSA-N 248.326 2.724 0 30 BFAC CCCCCNC[C@H]1COc2ccccc2O1 5512745 XWNMXSFEFMAVBT-LBPRGKRZSA-N 235.327 2.606 0 30 BFAC N[C@H](C[C@@H](N)c1ccccc1)c1ccccc1 5934222 ILDQIFPNBGCLRH-HUUCEWRRSA-N 226.323 2.777 0 30 BFAC Nc1cc(-c2ccc(F)c(Cl)c2)no1 82533709 LYRUMLDYFZVLJI-UHFFFAOYSA-N 212.611 2.716 0 30 BFAC C=CN(C(C)=O)c1cccc(OCC)c1 5713965 QUKCZMBJOZKFIX-UHFFFAOYSA-N 205.257 2.582 0 30 BFAC OC1CCN(C[C@H]2CCCc3ccccc32)CC1 95348018 PDNGHOBCSXOYED-CQSZACIVSA-N 245.366 2.563 0 30 BFAC in-vitro CCO[C@@H]1CCC(=O)[C@@H]2[C@@H](C)CCC[C@H]12 136399775 NKDMBSLBBOPVHR-XKAARJIMSA-N 210.317 2.807 0 30 BFAC Fc1cc(Br)cc(OC(F)F)n1 306961098 BGIGZXIOMBPXDA-UHFFFAOYSA-N 241.994 2.585 0 30 BFAC C[C@H](NC(C)(C)C)C(=O)c1cccc(F)c1 3607975 CCGVLNAUEKVICK-VIFPVBQESA-N 223.291 2.785 0 30 BFAC in-vivo COC(OC)c1c(F)c(F)c(F)c(F)c1F 34287252 VBKFGXKGPHDXFW-UHFFFAOYSA-N 242.143 2.674 0 30 BFAC CCN[C@@H](CSC)Cc1ccc(F)cc1F 54496095 JJZOAXCHRBVDRX-LLVKDONJSA-N 245.338 2.848 0 30 BFAC O=Cc1cc(C(F)(F)F)cc(Cl)n1 95761359 VWZOMLFQQVTPGM-UHFFFAOYSA-N 209.554 2.566 0 30 BFAC in-vitro CC(C)(C)c1cc(Br)on1 214500373 HLMZWFPATZQURD-UHFFFAOYSA-N 204.067 2.735 0 30 BFAC Cc1cccc([C@@H]2NCCc3cc(O)ccc32)c1 3731769 WXDCZXLREKIUHV-INIZCTEOSA-N 239.318 2.936 0 30 BFAC biogenic CCCc1cc(O)c(=O)c2ccccc2c1 39097533 YRGVBZPSTQUKJM-UHFFFAOYSA-N 214.264 2.858 0 30 BFAC CO[C@@H](c1ccccc1N)C(F)(F)F 221527933 QWZPZZFKTOABBL-QMMMGPOBSA-N 205.179 2.519 0 30 BFAC COc1nc(Cl)ncc1-c1ccccc1 223754511 PJQHDLJKPAOBAO-UHFFFAOYSA-N 220.659 2.806 0 30 BFAC OC1CCN(c2cccc(C(F)(F)F)c2)CC1 33606183 CAEKNRWCZUHTDC-UHFFFAOYSA-N 245.244 2.667 0 30 BFAC CC[C@@H](c1ccccc1)N1CCC(CN)CC1 44511749 FTMDCNYJPYEZEB-HNNXBMFYSA-N 232.371 2.808 0 30 BFAC CC1(C)C[C@]1(CC(=O)O)c1ccccc1 106882849 SEQQWAUDIPDGAC-CYBMUJFWSA-N 204.269 2.829 0 30 BFAC CCC1(CC)C[C@H](N)CN1Cc1ccccc1 2265384489 LBSRDLWCSWVVMH-AWEZNQCLSA-N 232.371 2.778 0 30 BFAC OCc1cccc(COc2ccccc2)c1 12370747 ZKZSJQJXKWKOJY-UHFFFAOYSA-N 214.264 2.758 0 30 BFAC in-vitro Nc1cc(-c2ccc(C(F)(F)F)cc2)on1 39375898 IQMLJYWQRTVYSY-UHFFFAOYSA-N 228.173 2.943 0 30 BFAC NC[C@H]1CCCN(c2ccc(Cl)cc2)C1 84498770 IBWSAHJCOCYBBY-SNVBAGLBSA-N 224.735 2.515 0 30 BFAC CCOc1cc(N(CC)CC)ccc1N 5424336 PYBSFPTVHNWRRC-UHFFFAOYSA-N 208.305 2.514 0 30 BFAC CCOC(=O)Cc1cccc(-c2cccnc2)c1 34420769 NGWWADTUHUUBAK-UHFFFAOYSA-N 241.290 2.854 0 30 BFAC CCOC(=O)c1nc2ccc(F)cc2s1 45236217 DCAANBLHKURDGS-UHFFFAOYSA-N 225.244 2.612 0 30 BFAC COC[C@H]1CCN(c2cccc(O)c2Cl)C1 146150926 IHNFECYGBKJIRO-VIFPVBQESA-N 241.718 2.518 0 30 BFAC COc1ccc([C@@H]2CCNC2)c(C(F)(F)F)c1 217693043 RWFNKGYFGHDPPY-MRVPVSSYSA-N 245.244 2.791 0 30 BFAC Cc1ccc(-c2noc(-c3ccno3)n2)cc1 114322 KIKNDABODJWBNI-UHFFFAOYSA-N 227.223 2.700 0 30 BFAC S=C(NNc1ccccc1)c1ccccc1 174354 AWAWNMNDLBQMDV-UHFFFAOYSA-N 228.320 2.979 0 30 BFAC COc1cc(C)cc([C@@H]2C[C@@H](C)CN2)c1 3704973 ACYDJPDBDQGWRP-MFKMUULPSA-N 205.301 2.674 0 30 BFAC O=C(O)[C@@H]1Cc2ccc3ccccc3c2C1 38283859 KLZWGWLPTNLXQK-LLVKDONJSA-N 212.248 2.639 0 30 BFAC Nc1ccn(-c2ccc(Cl)cc2Cl)n1 54404764 JMZWCUDIHPEHTE-UHFFFAOYSA-N 228.082 2.761 0 30 BFAC in-vitro CC(C)[C@H]1Nc2ccc(Cl)cc2NC1=O 76674004 JAPONFFVJBBUMD-SNVBAGLBSA-N 224.691 2.729 0 30 BFAC Oc1ccccc1C=NNc1ccccc1 254413453 SERARPRVBWDEBA-UHFFFAOYSA-N 212.252 2.838 0 30 BFAC C[S@](=O)Cc1ccc(C(F)(F)F)cc1 279985482 LDJNKJSFWWPFLR-AWEZNQCLSA-N 222.231 2.584 0 30 BFAC N[C@H]1C[C@](F)(c2ccc(C(F)(F)F)cc2)C1 390244980 FGGMCPFSOXCQJQ-AOOOYVTPSA-N 233.208 2.991 0 30 BFAC Cc1ccccc1S(=O)(=O)Oc1ccccc1 34386696 ODOPFDLFKUKZCU-UHFFFAOYSA-N 248.303 2.763 0 30 BFAC CN1[C@H]2CC[C@@H]1C[C@H](Nc1ccccc1)C2 238345735 QLQRBNQKXLOPPG-BTTYYORXSA-N 216.328 2.724 0 30 BFAC O=C1CCN(C2CC2)[C@@H](c2ccccc2)C1 299805563 VARHAIHELAQXFC-CQSZACIVSA-N 215.296 2.555 0 30 BFAC OCCn1c2c(c3ccccc31)CCCC2 21298334 IQONTKKCARMUHK-UHFFFAOYSA-N 215.296 2.512 0 30 BFAC CC[C@H](C)Oc1ncc(F)c(O[C@@H](C)CC)n1 40443060 NDYGUHTXPWPXGR-IUCAKERBSA-N 242.294 2.970 0 30 BFAC Cc1ccccc1C[C@@H](C(=O)O)c1ccccn1 41284904 MCNSFCBEANALPR-CYBMUJFWSA-N 241.290 2.801 0 30 BFAC FC(F)(F)Oc1ccc2c(c1)CCCO2 75882905 HBGHRBMLWWUFDH-UHFFFAOYSA-N 218.174 2.910 0 30 BFAC CC(C)CN[C@@H]1CCCc2cccnc21 85789446 LMXNFIHCTMSLCK-GFCCVEGCSA-N 204.317 2.705 0 30 BFAC in-vitro CC(C)c1c(-c2ccccc2)n[nH]c1N 19688925 SEKWAKRNTBHSDP-UHFFFAOYSA-N 201.273 2.782 0 30 BFAC Cc1c[nH]c(C)c1-c1ccc(C(=O)O)cc1 45809139 OENSPHYNLNXMRK-UHFFFAOYSA-N 215.252 2.997 0 30 BFAC CCOC(=O)c1cc2c(Cl)cncc2o1 202091867 AWTBVNLGTIJRKZ-UHFFFAOYSA-N 225.631 2.658 0 30 BFAC NC1(c2cccc(OC(F)F)c2)CCC1 238568358 YCSNNCZZIHFWSR-UHFFFAOYSA-N 213.227 2.626 0 30 BFAC C[n+]1ccccc1C=Cc1ccc(F)cc1 2265237897 ILXYMHJAADDWNS-UHFFFAOYSA-N 214.263 2.821 0 30 BFAC CCCO[C@H](C(=O)OC)c1ccc(F)cc1C 685945583 ITNVKTOSLYOCJR-LBPRGKRZSA-N 240.274 2.775 0 30 BFAC O=c1ccsn1-c1ccc(F)c(Cl)c1 12367067 OOOJWRSQJXGEDS-UHFFFAOYSA-N 229.663 2.692 0 30 BFAC in-vivo CC(C)CCc1cc(C(=O)O)ccc1O 72233021 NCFOORDCBKVBSX-UHFFFAOYSA-N 208.257 2.679 0 30 BFAC CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@@H](N)CC2 150044146 AHZVODCGMRDGFZ-LBPRGKRZSA-N 248.326 2.980 0 30 BFAC Brc1ccsc1[C@H]1CCCN1 3732490 BYIULCHZBJFCBZ-SSDOTTSWSA-N 232.146 2.935 0 30 BFAC COC(=O)c1ccccc1Oc1ccccc1O 32249512 WORKBIKNEKBMQG-UHFFFAOYSA-N 244.246 2.971 0 30 BFAC O=C(O[C@@H]1CC=CCC1)c1ccccc1 34371080 JKJCJPNWWRTYMA-GFCCVEGCSA-N 202.253 2.952 0 30 BFAC CC[C@H](Cc1ccccc1Br)NC 37468584 WHOFNJVWHZUXKS-SNVBAGLBSA-N 242.160 2.990 0 30 BFAC in-vitro Nc1ccnc(SCc2ccccc2)c1 43569655 FZTDIEPJQYJKDF-UHFFFAOYSA-N 216.309 2.956 0 30 BFAC Brc1cnccc1-c1cccnc1 96135165 DUSREXJLHQEODB-UHFFFAOYSA-N 235.084 2.906 0 30 BFAC in-vitro C[C@H](O)c1cc(OC(F)(F)F)ccc1F 108000732 STIYUKDOIGIVAY-YFKPBYRVSA-N 224.153 2.778 0 30 BFAC Cc1csc2c(NC(C)C)ncnc12 82159 LETYJJRSWXSKRR-UHFFFAOYSA-N 207.302 2.820 0 30 BFAC C[C@@H](COCc1ccccc1)C(C)(C)O 26522196 NNAUPMPJOBBKDS-NSHDSACASA-N 208.301 2.610 0 30 BFAC CC(C)c1ccc([C@@H]2CCCNC2=O)cc1 57498539 WMQWARAWWGWKHT-ZDUSSCGKSA-N 217.312 2.804 0 30 BFAC CCC[C@@H]1O[C@H](O)[C@H](CC)[C@@H](CCC)O1 255992098 OHFLMXOCEVFBCA-WYUUTHIRSA-N 216.321 2.673 0 30 BFAC C[C@@]1(c2cnc(Br)s2)CCOC1 258871867 MTGJOKGDWOAPHN-MRVPVSSYSA-N 248.145 2.584 0 30 BFAC COc1cccc2c1CC[C@@H](N(C)C)[C@H]2C 6067141 ZCNTYKAJYPYMNL-GXFFZTMASA-N 219.328 2.675 0 30 BFAC CCCCO[C@@H]1CCC(=O)N1Cc1ccccc1 33900695 WPWXUBAZDOBDHI-OAHLLOKOSA-N 247.338 2.952 0 30 BFAC O=C1NC[C@H](c2ccccc2)c2ccccc21 39221352 NGJFKRNZIPGFKZ-CQSZACIVSA-N 223.275 2.562 0 30 BFAC CCC[C@@H]1O[C@H](O)[C@@H](CC)[C@H](CCC)O1 255992096 OHFLMXOCEVFBCA-BJDJZHNGSA-N 216.321 2.673 0 30 BFAC NC(=O)C=Cc1ccccc1Oc1ccccc1 2265276951 ZYSUKZXLXFAIAP-UHFFFAOYSA-N 239.274 2.977 0 30 BFAC O=C(Cn1ccnc1)c1ccc2ccccc2c1 1766 ITPVLJQRUQVNSD-UHFFFAOYSA-N 236.274 2.919 0 30 BFAC in-man Cc1cc(C(=O)Oc2ccc(Cl)cc2)no1 4394517 XIJIKGOEXNPGTQ-UHFFFAOYSA-N 237.642 2.856 0 30 BFAC C[C@H]1CN(C)c2cc(Cl)ccc2C1=O 5159287 KDBHLDQRLXPURK-ZETCQYMHSA-N 209.676 2.609 0 30 BFAC CCN(CC)c1nc(Cl)cc(Cl)n1 82473705 GGMJHZBQISBNTO-UHFFFAOYSA-N 220.103 2.630 0 30 BFAC O=C(O)[C@@H](CC(F)(F)F)c1cccc(F)c1 86366428 JOKVCCAFIYAFTO-QMMMGPOBSA-N 236.164 2.946 0 30 BFAC CCCCN(C)C(=O)N(C)CCCC 140335711 UKFZKKOBPZBXAY-UHFFFAOYSA-N 200.326 2.570 0 30 BFAC CCCO[C@@H](CO)c1ccc(F)cc1C 685945585 KMHRJFNCTWSOSG-LBPRGKRZSA-N 212.264 2.594 0 30 BFAC CN1C(=S)CS[C@@H]1c1ccccc1 39124954 UYFLZSYADUTFCC-SNVBAGLBSA-N 209.339 2.691 0 30 BFAC O=C(O)c1cc(-c2cccc(F)c2)ncc1F 47206013 XLKRTLNINKLCKF-UHFFFAOYSA-N 235.189 2.725 0 30 BFAC COC[C@H](O)c1ccc(Cl)cc1Cl 86519216 QWHUNIYKFAQICU-VIFPVBQESA-N 221.083 2.673 0 30 BFAC COc1cccc2c1CN(C(=O)OC(C)(C)C)C2 859368317 XZFWAGXQIVLESN-UHFFFAOYSA-N 249.310 2.946 0 30 BFAC CCOc1cc2c(cc1O)[C@H]1CC=C[C@H]1O2 39100383 DZVQMFKEEDVPLJ-LDYMZIIASA-N 218.252 2.595 0 30 BFAC C/C=C/C=C/C=C/C(=O)N1CCCCC1 223572453 NDSPNFPTVOZRPO-QVRCICKPSA-N 205.301 2.687 0 30 BFAC Cc1ccc2cnc(Br)nc2c1 258221637 LRWLKROQDSYGMI-UHFFFAOYSA-N 223.073 2.701 0 30 BFAC O=C(O)C1CC2(CCC(F)(F)CC2)C1 306226127 FVXSDPOUOFWADR-UHFFFAOYSA-N 204.216 2.677 0 30 BFAC C[C@H](CC(=O)O)n1ccc2ccccc21 5141688 CRBDMBOXRGTJDX-SECBINFHSA-N 203.241 2.677 0 30 BFAC COc1ccc(-c2ccccc2)cc1NN 34511535 RBLBZXMXQHOMHZ-UHFFFAOYSA-N 214.268 2.648 0 30 BFAC COC(=O)c1csc(-c2ccccc2F)n1 64281350 NBPRZFGLEWZSRB-UHFFFAOYSA-N 237.255 2.736 0 30 BFAC O=C(O)[C@@H](CC(F)(F)F)c1ccc(F)cc1 86366018 VVYQURBTETUHHS-QMMMGPOBSA-N 236.164 2.946 0 30 BFAC Brc1ccncc1-c1cccnc1 96135180 KMVFNQFZKBJTMI-UHFFFAOYSA-N 235.084 2.906 0 30 BFAC COc1ccc(CNCC=C(C)C)c(OC)c1 191628373 KYOFOVWBVNYCNK-UHFFFAOYSA-N 235.327 2.760 0 30 BFAC Cc1cccc([C@](C)(O)C(C)(C)CN(C)C)c1 4368155 QENUIPMEJRJLLP-HNNXBMFYSA-N 235.371 2.790 0 30 BFAC CC(C)[C@H](O)[C@@H](C)C(=O)c1ccccc1 21996922 FTPHOAUCRXCRBV-PWSUYJOCSA-N 206.285 2.522 0 30 BFAC Oc1nc(-c2ccc(Cl)cc2)nc(=S)[nH]1 17917517 KGJIDWCDNYBLCZ-UHFFFAOYSA-N 239.687 2.560 0 30 BFAC O=C(O)c1sc(C2CC2)nc1C(F)(F)F 75898284 SKFZITCWKMFWBL-UHFFFAOYSA-N 237.202 2.738 0 30 BFAC in-vitro FC(F)(F)[C@H]1CCc2ccccc2N1 114050776 NZPIJNJFKLMEIX-SECBINFHSA-N 201.191 2.976 0 30 BFAC C[C@H](CO)CO[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 256091465 YCOHHRPARVZBHK-HKUMRIAESA-N 226.360 2.846 0 30 BFAC Cc1ccc2onc(OC(=O)NC(C)C)c2c1 75949 YMJFUAXBSIGBLW-UHFFFAOYSA-N 234.255 2.633 0 30 BFAC Oc1ccc2c(c1)Oc1cc(O)ccc1O2 39097738 VHOLXSVZRFGLNG-UHFFFAOYSA-N 216.192 2.996 0 30 BFAC CCc1cccc(CCc2ccccn2)n1 39101581 CXDXAFLFCPWHKF-UHFFFAOYSA-N 212.296 2.824 0 30 BFAC C[C@@H](N)Cc1ccc2c(c1)CCC(C)(C)O2 44411135 ZLPOROHPVJZTNB-SNVBAGLBSA-N 219.328 2.680 0 30 BFAC CC(C)CCCCCCOP(=O)(O)O 84403512 IDXWQJNXMQJTCW-UHFFFAOYSA-N 224.237 2.702 0 30 BFAC CC(=O)NCCCCCc1ccccc1 32182240 ZDCCAWHYASANAS-UHFFFAOYSA-N 205.301 2.536 0 30 BFAC CCNC(=O)c1ccc(Br)cc1C 48190780 NYIIAMGYBIJNPA-UHFFFAOYSA-N 242.116 2.507 0 30 BFAC O=C(O)[C@H](F)c1ccc(Br)cc1 108279480 PVNDTJHFYJONTA-SSDOTTSWSA-N 233.036 2.544 0 30 BFAC O=C(O)c1ccc(-n2cc3ccccc3n2)cc1 2021957 AUTJVELNICXKTK-UHFFFAOYSA-N 238.246 2.724 0 30 BFAC CC(C)SC[C@@H](N)Cc1ccc(F)cc1F 83489096 MQSPKEVXCUKFBY-NSHDSACASA-N 245.338 2.976 0 30 BFAC CCc1ccc(OC)c(O)c1Br 216544827 BWLHBCSQDFMADO-UHFFFAOYSA-N 231.089 2.726 0 30 BFAC O=C(O)c1coc2cccc(Br)c12 238698429 GMXWATSUJUTPFM-UHFFFAOYSA-N 241.040 2.894 0 30 BFAC Nc1ccc(-c2ccc(N)cc2F)cc1 345349 XERAWPSPVRYXCU-UHFFFAOYSA-N 202.232 2.657 0 30 BFAC NC[C@@H](OCC1CC1)c1ccc(Cl)cc1 42949091 VMVKQNVNUJNNGI-GFCCVEGCSA-N 225.719 2.766 0 30 BFAC in-vitro CCC[C@H](O)[C@H](CC)C[C@H](CC)CO 256365123 QDKYZXPQXKTGRB-TUAOUCFPSA-N 202.338 2.582 0 30 BFAC CCO[C@H](C(=N)NC(C)C)c1ccccc1 5650835 OESWXOBSRAZJQR-LBPRGKRZSA-N 220.316 2.739 0 30 BFAC CNCc1ccc(Oc2ccccn2)cc1 12370382 AFHNQZMRTDPSDR-UHFFFAOYSA-N 214.268 2.593 0 30 BFAC in-vitro N#Cc1ccc2c(ccn2-c2ccccn2)c1 34590995 VFGMKVBQUHZOEC-UHFFFAOYSA-N 219.247 2.897 0 30 BFAC O=C(Oc1ccccc1)c1ccc(Cl)nc1 66324519 CGNDQRNRTZEQPR-UHFFFAOYSA-N 233.654 2.954 0 30 BFAC Cc1ccc(-c2nc(C(=O)O)[nH]c2Cl)cc1 212607075 GERHFBATOJZCQY-UHFFFAOYSA-N 236.658 2.737 0 30 BFAC O=C(O)c1ccncc1Cc1cc(F)cc(F)c1 2524996 GMHGNKFQSXDHRP-UHFFFAOYSA-N 249.216 2.649 0 30 BFAC COc1ccc(C[C@H](CC(C)C)C(=O)O)cc1 37653570 DXHXUVAKLCVUEW-LBPRGKRZSA-N 236.311 2.985 0 30 BFAC Brc1ccc2c(c1)NCCCO2 62529592 RPAGMKIDJZYWFJ-UHFFFAOYSA-N 228.089 2.644 0 30 BFAC Cc1[nH]c2ccccc2c1[C@H]1CCNC1 71490354 UCFHKXKCSMHQFI-JTQLQIEISA-N 200.285 2.553 0 30 BFAC CC(C)(N)c1ccc(Br)c(F)c1 84514258 NSLDIQTUGZUDSJ-UHFFFAOYSA-N 232.096 2.782 0 30 BFAC CN(CCC(=O)C(C)(C)C)C(=O)OC(C)(C)C 405469920 AOZFDISYGOOPMU-UHFFFAOYSA-N 243.347 2.859 0 30 BFAC CCC[C@@H]1CC[C@H](OC(C)=O)[C@H](OC)C1 5839634 DCHIIKAIQRAGHB-GRYCIOLGSA-N 214.305 2.533 0 30 BFAC N[C@H](CCO)c1ccc(-c2ccccc2)cc1 32099008 UNUNOVQUYQLLAO-OAHLLOKOSA-N 227.307 2.736 0 30 BFAC O=C1CCCc2c1[nH]c1c(F)cccc21 80028169 FFHGNKTVFARENQ-UHFFFAOYSA-N 203.216 2.826 0 30 BFAC CCc1c(C)c2c(CC)cc(N)cc2oc1=O 141081018 BPSXNWGBFCGVER-UHFFFAOYSA-N 231.295 2.808 0 30 BFAC CCOP(=O)(CCC1CCNCC1)OCC 216665375 QRIPQNBYOYTTNT-UHFFFAOYSA-N 249.291 2.642 0 30 BFAC COC(=O)c1cc2c(OC)c(Cl)ccc2[nH]1 261130949 KHEMJXRZUKAQPB-UHFFFAOYSA-N 239.658 2.617 0 30 BFAC O[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 498036580 MEAZYCSPYSPOTL-CZMCAQCFSA-N 216.202 2.944 0 30 BFAC CC(C)[C@H](O)[C@H](C)C(=O)c1ccccc1 21996930 FTPHOAUCRXCRBV-JQWIXIFHSA-N 206.285 2.522 0 30 BFAC Cc1cccc(N[C@@H]2CCO[C@@H]2C)c1C 96034004 SDRZGELBCIPKMX-DGCLKSJQSA-N 205.301 2.893 0 30 BFAC in-vitro Cc1cccc(C(C)(C)O)c1Br 216383769 SOLOHVNBYZIWTO-UHFFFAOYSA-N 229.117 2.985 0 30 BFAC O=C(O[C@H]1CC1(Cl)Cl)c1ccccc1 88315 BVDLKOWNKUCLAH-QMMMGPOBSA-N 231.078 2.790 0 30 BFAC Cc1ccc(C(=O)Nc2ccccc2)c(C)n1 173049 LPKWUZHGNNHVAZ-UHFFFAOYSA-N 226.279 2.951 0 30 BFAC Clc1cc(Br)c2c(c1)OCO2 91297265 AFOTZMBXHQXIAG-UHFFFAOYSA-N 235.464 2.831 0 30 BFAC COCCCCC1(O)C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1 103822214 PBMHFJBOPZVADA-XUXIUFHCSA-N 238.371 2.990 0 30 BFAC O=C(O)C12CC1(c1ccc(C(F)(F)F)cc1)C2 585164806 WYJCLAGNAXGQAP-UHFFFAOYSA-N 242.196 2.822 0 30 BFAC Oc1ncc([C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)[nH]1 2265347448 CVRLJMZGKOFQJR-QOAFMVCWSA-N 218.300 2.583 0 30 BFAC CCOC(=O)[C@@H]1CCc2cc3ccccc3n2C1 34451476 HIUAZGLOMWYLMI-GFCCVEGCSA-N 243.306 2.767 0 30 BFAC Cc1cc2ncn([C@@H](C)C(N)=S)c2cc1C 43514779 XEJNPKJANPPDCF-VIFPVBQESA-N 233.340 2.500 0 30 BFAC in-vitro CCOC(=O)[C@@H]1CC=C([B-](F)(F)F)CC1 219728267 CXUOSRKPDDRVDK-SSDOTTSWSA-N 221.007 2.663 0 30 BFAC CNC[C@@H](F)Cc1ccc2occc2c1 2265385495 AXJPNDTVVPTFOA-NSHDSACASA-N 207.248 2.533 0 30 BFAC Cc1nccc2[nH]cc(Br)c12 14986165 UBMRHTWKYONRMN-UHFFFAOYSA-N 211.062 2.634 0 30 BFAC in-vitro CC(C)CCOC(=O)/C=C/c1ccoc1 38645043 XKXQGYBDCCQWPU-ONEGZZNKSA-N 208.257 2.882 0 30 BFAC O=[P@@H](Oc1ccccc1)c1ccccc1 113418335 VPQOWWNEYGVVJQ-UHFFFAOYSA-N 218.192 2.866 0 30 BFAC O=C(O)C(F)(F)c1cc(Cl)nc(Cl)c1 1536091124 FOUXMTYAGUJNOW-UHFFFAOYSA-N 242.008 2.565 0 30 BFAC CC(C)COc1cccc(/C=C/C(=O)O)c1O 38652649 CAQDGHXUYYLXHM-VOTSOKGWSA-N 236.267 2.525 0 30 BFAC Fc1c(Cl)cncc1Br 95768543 WOGTXZPKITUKHP-UHFFFAOYSA-N 210.433 2.637 0 30 BFAC CC(C)(C)c1ccc(C(=O)c2ncc[nH]2)cc1 164578 MUDXAFPEKCLKLK-UHFFFAOYSA-N 228.295 2.938 0 30 BFAC C[C@H](C(=O)OCCc1ccccc1)C(F)(F)F 21998580 OFMDZHRBKBHCGQ-SECBINFHSA-N 246.228 2.971 0 30 BFAC CCc1ccc(C(=O)O)cc1C(F)(F)F 139834423 HXLMKLLSWSCUHE-UHFFFAOYSA-N 218.174 2.966 0 30 BFAC CCOC(=O)[C@@H](F)CC1CCCCC1 216636358 XWVWXMAXBYKOEQ-JTQLQIEISA-N 202.269 2.858 0 30 BFAC in-vitro COc1ccc2c(c1)CCN[C@H]2C(C)C 11598204 NUJWYCUNDWENRN-ZDUSSCGKSA-N 205.301 2.538 0 30 BFAC CC(=O)Nc1ccc2nc(CF)sc2c1 45237954 FKWPXCSDNOGNQI-UHFFFAOYSA-N 224.260 2.724 0 30 BFAC NCc1ccc(C(=O)Cc2ccccc2)cc1 19779688 YBAXGAFYAZLBAY-UHFFFAOYSA-N 225.291 2.571 0 30 BFAC NCc1cnc(Cc2ccc(Cl)cc2)s1 40996509 VWRWEPCDMIAIHO-UHFFFAOYSA-N 238.743 2.846 0 30 BFAC CCc1cccc(NCC2CCNCC2)c1 86700253 COZIDDIYWUHPEK-UHFFFAOYSA-N 218.344 2.661 0 30 BFAC CC[C@@H](C)N1C[C@H](O)Cc2ccc(C)cc21 199893043 HTGTXWKSFMCXJN-DGCLKSJQSA-N 219.328 2.517 0 30 BFAC CCCc1ccc(NC(=S)OC)cc1 172817 QRDYCFPSSIMSCA-UHFFFAOYSA-N 209.314 2.982 0 30 BFAC COc1ccc(C)cc1[C@H]1C[C@@H](C)CN1 3704405 MLANWAJDICEXRD-ZYHUDNBSSA-N 205.301 2.674 0 30 BFAC O=C1CCc2cc(Br)c(Cl)nc21 2265381448 DAKVNRQMDGIGJH-UHFFFAOYSA-N 246.491 2.626 0 30 BFAC Fc1ccc(C2=CSC3=NCCN23)cc1F 92374 QOZSAERQBLSHJF-UHFFFAOYSA-N 238.262 2.682 0 30 BFAC NCCSC(=S)NC1CCCCCCC1 2152337 KRZIOQIETWSWJM-UHFFFAOYSA-N 246.445 2.666 0 30 BFAC CC(=O)Cc1c(F)c(F)c(F)c(F)c1F 2518686 UEYLUHZTMXOIMB-UHFFFAOYSA-N 224.128 2.514 0 30 BFAC in-vitro Brc1csnc1Br 117276851 USAKAOWRTVECKR-UHFFFAOYSA-N 242.923 2.668 0 30 BFAC O=Cc1ccc2ncccc2c1Br 2265385167 KFYBIOXCTDCEDO-UHFFFAOYSA-N 236.068 2.810 0 30 BFAC O=C(O)c1[nH]c(Cl)c(Cl)c1Cl 145879607 LMXSZWFRGRIPQR-UHFFFAOYSA-N 214.435 2.673 0 30 BFAC C[C@@H]1CC[C@H](N)[C@H](OCc2ccccc2)C1 37981119 UGYBEWNJUUMWOL-KWCYVHTRSA-N 219.328 2.719 0 30 BFAC CCc1nc2c(cc1C)nc1ccccn12 39101542 UDHFJUOFGUFYGN-UHFFFAOYSA-N 211.268 2.753 0 30 BFAC C[C@@H]1C[C@]2(C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)OC1=O 256421665 ICZMJALAXFOIJH-BURQHVSVSA-N 220.312 2.764 0 30 BFAC C[C@@H](Cc1ccc(Cl)cc1Cl)NN(C)C 33639144 NIRZYJXKXJMRPC-QMMMGPOBSA-N 247.169 2.991 0 30 BFAC CCO[P@@]1(=O)OCCOC=C1CC 39099434 CYAQHCUBEUVOCP-CYBMUJFWSA-N 206.178 2.514 0 30 BFAC O=C(O)c1nsc2cc(Cl)ccc12 113947425 ILBZSPHBQMRNNY-UHFFFAOYSA-N 213.645 2.648 0 30 BFAC O=C(OCc1ccccc1)N1CC[C@H]2C[C@@H]2C1 307039366 HADJFVKEALYXRG-QWHCGFSZSA-N 231.295 2.665 0 30 BFAC C[S@](=O)Cc1ccc(Cl)cc1Cl 526871993 SKQCYHIEKULPKR-LBPRGKRZSA-N 223.124 2.872 0 30 BFAC CC[C@H](C)Sc1nnc(S)s1 163502 APLQCUQNHPBMRZ-BYPYZUCNSA-N 206.361 2.717 0 30 BFAC C[C@@H]1CNCCN1c1ccc(C(F)(F)F)cc1 34605167 GDUWSJMPXLBYPG-SECBINFHSA-N 244.260 2.504 0 30 BFAC Nc1ccncc1-c1ccccc1Cl 69841235 REUNHKGJZBVIPP-UHFFFAOYSA-N 204.660 2.984 0 30 BFAC Oc1ccc2[nH]cc(CCN3CCCC3)c2c1 95763062 UAMKBNAHFNECII-UHFFFAOYSA-N 230.311 2.512 0 30 BFAC CNCCC(=O)c1cccc2ccccc12 34061941 ZTWGJJSIEZWIFN-UHFFFAOYSA-N 213.280 2.632 0 30 BFAC c1cc2c(cc1[C@@H]1CCCNC1)CCC2 57491031 ZFZKHTUOSOWZPW-CQSZACIVSA-N 201.313 2.642 0 30 BFAC Cc1cccc(C(=O)c2ccccc2C(=O)O)c1 133505 GVSLNMMHEAMXAJ-UHFFFAOYSA-N 240.258 2.924 0 30 BFAC C[C@@H](CC(=O)O)c1ccc(F)c(F)c1 20260006 XEGNLSSZSLFSBH-LURJTMIESA-N 200.184 2.543 0 30 BFAC Brc1ncc(-c2ccccc2)[nH]1 32253949 QLQNUEHTRQBVTD-UHFFFAOYSA-N 223.073 2.839 0 30 BFAC OCc1ccc(-c2cccc(F)c2F)nc1 39927645 YXWUAFQUCBZUIJ-UHFFFAOYSA-N 221.206 2.519 0 30 BFAC C1=NCc2c3ncsc3cc3ccn1c23 45235740 LCTVZGDUSFTOEB-UHFFFAOYSA-N 213.265 2.641 0 30 BFAC COc1nc2c(OC)ccc(C)c2s1 45236924 BEXHMUOPDSFMNX-UHFFFAOYSA-N 209.270 2.622 0 30 BFAC FC1=C(F)[C@@]2(F)C=C[C@@]1(F)C2(F)F 100066972 BFEDHPALJLSLEE-WDSKDSINSA-N 200.081 2.772 0 30 BFAC CCCC[C@@H]1C(=O)[C@H](C)C[C@@H]1CC(=O)OC 238790827 MSBRSFQZKZOPDR-MXWKQRLJSA-N 226.316 2.581 0 30 BFAC O[C@H](CF)c1ccccc1C(F)(F)F 1536145565 DDTMFWDUKVYQEW-MRVPVSSYSA-N 208.154 2.708 0 30 BFAC NCc1csc(-c2ccccc2Cl)n1 11568377 SVZCCSGOONMHEL-UHFFFAOYSA-N 224.716 2.922 0 30 BFAC CC(C)C[C@]1(C)N[C@@H](c2ccccc2)COC1=O 2242135291 KUGHEXPCMWDSEE-HIFRSBDPSA-N 247.338 2.679 0 30 BFAC CC(C)NC(=O)Oc1cccc(Cl)c1 135181 LENFVQQADPMMDM-UHFFFAOYSA-N 213.664 2.837 0 30 BFAC O=C(c1ccco1)n1ccc(-c2cccs2)n1 156408 VZGLZMOJLNHRIV-UHFFFAOYSA-N 244.275 2.893 0 30 BFAC C1=CC(c2cc(-c3cccnc3)ccn2)=CNC1 2576427 OMHXQICXRZQTKY-UHFFFAOYSA-N 235.290 2.644 0 30 BFAC CN1CCC[C@@H]1c1cncc(Br)c1 13444074 VKHLFAFBADEABG-SNVBAGLBSA-N 241.132 2.611 0 30 BFAC CCc1ccc(-c2cnnc(SC)n2)cc1 33864787 WSGQMVHBDDOGRC-UHFFFAOYSA-N 231.324 2.823 0 30 BFAC COCCCC[C@]1(O)C[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1 256431442 PBMHFJBOPZVADA-LXFSFDBISA-N 238.371 2.990 0 30 BFAC Fc1cc2[nH]cc(C3=CCNCC3)c2cc1F 642882413 XGVSVVOTVJJZIL-UHFFFAOYSA-N 234.249 2.823 0 30 BFAC NC[C@@H]1CCCN(c2ccc(Cl)cc2)C1 84498771 IBWSAHJCOCYBBY-JTQLQIEISA-N 224.735 2.515 0 30 BFAC FCCc1ccc(Br)cc1 115833600 FVFMHMBKVUPPNM-UHFFFAOYSA-N 203.054 2.961 0 30 BFAC O=C(Cc1cc(F)cc(F)c1)Nc1ccccn1 110569 YFFSTNOBNKXEHL-UHFFFAOYSA-N 248.232 2.541 0 30 BFAC Cc1noc(C)c1C(=O)N(C)Cc1ccccc1 112042 SALFCIOFEDMTBD-UHFFFAOYSA-N 244.294 2.564 0 30 BFAC COc1ccc2c(c1)Cc1ccccc1[C@H]2CN 13536448 DTEPCKRLYVEVEM-MRXNPFEDSA-N 239.318 2.690 0 30 BFAC in-vivo Cn1nc2ccc(Br)cc2c1Cl 95709707 ZODGRUUGABBMNL-UHFFFAOYSA-N 245.507 2.989 0 30 BFAC in-vitro Cc1c(F)cccc1N[C@H]1CCO[C@H]1C 96034087 CIMIYNZAUYZLTD-CABZTGNLSA-N 209.264 2.723 0 30 BFAC in-vitro Cc1cn2cc(C(F)(F)F)nc2s1 38350847 JWIIPYGLGRVYKW-UHFFFAOYSA-N 206.192 2.723 0 30 BFAC N[C@@H]1CCC[C@@H](c2ccc(F)c(F)c2)C1 70637100 MCBOYWFAUSDEHK-PSASIEDQSA-N 211.255 2.950 0 30 BFAC N[C@@H](c1ccccc1)c1nc2ccccc2o1 26515007 FGVNWEYDFMDJSJ-ZDUSSCGKSA-N 224.263 2.876 0 30 BFAC FC(F)C(F)(F)Oc1ccc(Cl)nc1 34339047 PDDHRCJRNNOSBO-UHFFFAOYSA-N 229.560 2.972 0 30 BFAC Fc1ccc(Br)c2c1NCCC2 36751699 WELLBOWUERIKHE-UHFFFAOYSA-N 230.080 2.946 0 30 BFAC FC(F)(F)COc1ccc(Cl)nc1 87542912 IVFQHDDVMGZAEL-UHFFFAOYSA-N 211.570 2.676 0 30 BFAC O=C(Nc1ccc2cnccc2c1)N1CCCC1 296200692 CWUCMPQHBOAING-UHFFFAOYSA-N 241.294 2.863 0 30 BFAC Brc1nnc([C@@H]2CCCCO2)s1 71051632 BQHVDSFILOWOAU-YFKPBYRVSA-N 249.133 2.542 0 30 BFAC CC[C@H](C)Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-] 32237863 MDXPRXYGYOMMKQ-ZETCQYMHSA-N 239.231 2.713 0 30 BFAC CSC(F)(F)C(=O)c1ccccc1 39055292 IBBJRVBEYCBCIV-UHFFFAOYSA-N 202.225 2.825 0 30 BFAC Cc1cc2c(cc1Br)[C@H](N)CCO2 238485335 WTCDOBVYPQNVCJ-SECBINFHSA-N 242.116 2.540 0 30 BFAC CCC(=O)C(C(=O)CC)c1ccccc1OC 238790800 UEBPZMQKJVTYPL-UHFFFAOYSA-N 234.295 2.737 0 30 BFAC Cc1ccc(C=CC2=NN(C)C(=O)CC2)cc1 2265276201 SBXXXFVEPHLZBG-UHFFFAOYSA-N 228.295 2.616 0 30 BFAC Nc1nc2c(cc(F)c3ncccc32)s1 19772636 LXXSIKIGJYBJEF-UHFFFAOYSA-N 219.244 2.566 0 30 BFAC COC(=O)c1cccc(-c2cncc(Cl)n2)c1 95616749 NVQIDPAIHMONPK-UHFFFAOYSA-N 248.669 2.584 0 30 BFAC NCC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 100458128 ODIWTORISVDTKH-NKVNRFPTSA-N 244.176 2.679 0 30 BFAC Cc1ccc(CSC2=NCCCN2)cc1C 144275 HHZKVELRBGXHKO-UHFFFAOYSA-N 234.368 2.886 0 30 BFAC CCC(=O)N1C(=O)O[C@@H](c2ccccc2)[C@@H]1C 391237 ZMRFZBKROHCLIL-JOYOIKCWSA-N 233.267 2.505 0 30 BFAC Cc1cccc(C)c1CNC[C@H]1CCCO1 83349994 DHIYZJMZZXHQFU-CYBMUJFWSA-N 219.328 2.572 0 30 BFAC COC(=O)Cc1ccc2c(c1)C=CC(C)(C)O2 103221098 UCTAFNVZZHZYCV-UHFFFAOYSA-N 232.279 2.586 0 30 BFAC CCOC(=O)c1nc(C)[nH]c1-c1ccccc1 39111216 GMUXVPNXBVLTCG-UHFFFAOYSA-N 230.267 2.562 0 30 BFAC CCCOc1cc(Br)ccn1 44118481 GURVVNJEKYHFPI-UHFFFAOYSA-N 216.078 2.633 0 30 BFAC in-vitro CCN(CC)[C@@H](C)C(=O)Oc1c(C)cccc1C 83295505 HMQXBRLXMVZVLL-ZDUSSCGKSA-N 249.354 2.939 0 30 BFAC O=C(c1ccc(O)c(Cl)c1)C(F)(F)F 106363785 ZFCLJEBHVJDQKU-UHFFFAOYSA-N 224.565 2.791 0 30 BFAC Cc1ccc(C(=O)O)c(Br)c1F 212915498 YWIFIYUUDWFSMA-UHFFFAOYSA-N 233.036 2.595 0 30 BFAC O=C(O)c1nsc2c(Cl)cccc12 230385212 KQIPHZZPFDETRB-UHFFFAOYSA-N 213.645 2.648 0 30 BFAC Cc1cc(Br)ccc1CCC(=O)O 36205461 RATJZPRBPBDIQH-UHFFFAOYSA-N 243.100 2.775 0 30 BFAC C[C@@H]1CCC(=O)[C@@H](OCc2ccccc2)C1 1536221776 CELBBTBBXDIGRT-RISCZKNCSA-N 218.296 2.961 0 30 BFAC CCCCNCC(=O)Nc1ccccc1Cl 2033393 LVOHAAQOSKXYFN-UHFFFAOYSA-N 240.734 2.668 0 30 BFAC C[C@@H]1CNC(SCc2ccc(Cl)cc2)=N1 4323604 CPRHETANJYZEPZ-MRVPVSSYSA-N 240.759 2.921 0 30 BFAC CC(C)(C)O[C@@H]1C[C@@H](CC(=O)O)C12CCC2 1535647384 NASFZMMVSAMIDG-VHSXEESVSA-N 226.316 2.835 0 30 BFAC Cc1nc(-c2cccnc2)nc(N(C)C)c1Cl 74693 MAQIBFZQJPOBRH-UHFFFAOYSA-N 248.717 2.566 0 30 BFAC O=Cc1nc2cc(Cl)c(Cl)cc2[nH]1 82370646 WMGMYPAQVJTRFP-UHFFFAOYSA-N 215.039 2.682 0 30 BFAC CCOC(=O)c1coc2ccc(OC)cc12 84061069 YCIOGNACFKSXGI-UHFFFAOYSA-N 220.224 2.618 0 30 BFAC CC(=O)c1ccc(-c2cc(C(=O)O)ccn2)s1 95934914 XGLITAOGOMAMDR-UHFFFAOYSA-N 247.275 2.711 0 30 BFAC CC(C)(C)N1C(=O)[C@]1(C)C1CCCCC1 96328790 LOSYMTFCDKEVRY-LSLKUGRBSA-N 209.333 2.966 0 30 BFAC Oc1ccc2c(c1)CCN[C@@H]2c1ccc(F)cc1 3728014 LVSYRPGEEICBFX-OAHLLOKOSA-N 243.281 2.766 0 30 BFAC biogenic Cc1c(C(=O)O)cc(CC(C)(C)C)n1C 642882992 HPTAVJWLXPQTEI-UHFFFAOYSA-N 209.289 2.620 0 30 BFAC FC(F)(F)c1ccc(CC2CCNCC2)cn1 1536066425 BDFITKLVISRFIJ-UHFFFAOYSA-N 244.260 2.643 0 30 BFAC Cc1cccc([C@@](C)(O)C(C)(C)CN(C)C)c1 4368156 QENUIPMEJRJLLP-OAHLLOKOSA-N 235.371 2.790 0 30 BFAC C=C1C(=O)O[C@@H]2/C=C(/C)CC/C=C(/C)C[C@@H](O)[C@H]12 33953358 PDEJECFRCJOMEN-XPWVRJPVSA-N 248.322 2.522 0 30 BFAC Nc1cc(C(F)(F)F)cc(C(F)(F)F)n1 34202815 JLFVZLNEALJLLS-UHFFFAOYSA-N 230.111 2.701 0 30 BFAC C[C@@H](O)COC(=O)CCCCCC(C)(C)C 148484655 FKJCCFRFRZONNO-LLVKDONJSA-N 230.348 2.907 0 30 BFAC CCO[P@]1(=O)OC[C@H]2CCCC[C@H]2O1 263590115 YELNSPXZJVCXBM-RFXMVYNHSA-N 220.205 2.737 0 30 BFAC Cc1nc(OC(F)F)ccc1Br 205077447 QSDJDZPHSSWEHW-UHFFFAOYSA-N 238.031 2.754 0 30 BFAC O=C1CCCC[C@@H]1Oc1ccccc1F 205966512 GUMRWJHMZURONS-LBPRGKRZSA-N 208.232 2.716 0 30 BFAC Cc1cc(C)c(CN)cc1Br 215720057 WUESEWSOHAZRSV-UHFFFAOYSA-N 214.106 2.525 0 30 BFAC CC(C)C(=O)O[C@@H]1C=C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]12 309158802 XEWHAZXTDUYYBY-JZRPKSSGSA-N 220.312 2.786 0 30 BFAC O=C(Oc1ccccc1C(=O)O)c1cccs1 12508 JCUTZUSPPNNLDC-UHFFFAOYSA-N 248.259 2.666 0 30 BFAC in-man COC(=O)c1[nH]c(=S)[nH]c1-c1ccccc1 22000730 NTVMOVDHGBYPHS-UHFFFAOYSA-N 234.280 2.526 0 30 BFAC C[C@H]1CCCCN1CN1CCCC[C@H]1C 34064881 LDMRWZAGEZWQBV-BETUJISGSA-N 210.365 2.693 0 30 BFAC Nc1cc(Cl)c(OC(F)(F)F)cc1F 196716858 SOGHGKGKKGKXJU-UHFFFAOYSA-N 229.560 2.960 0 30 BFAC CCC[C@@]1(N)CCCN(C(=O)OC(C)(C)C)C1 211413140 FWTDOXYMVKZLGN-CYBMUJFWSA-N 242.363 2.515 0 30 BFAC NC(=S)c1ccc(C(F)(F)F)cc1Cl 107459 KYQALMDZBAQEFM-UHFFFAOYSA-N 239.649 2.993 0 30 BFAC CC(C)(C)OC(=O)Nc1ccc2[nH]ncc2c1 34605844 JOQUOZJHOLTJMC-UHFFFAOYSA-N 233.271 2.910 0 30 BFAC NCC1(Cc2cccc(Br)c2)CC1 71549973 QIYJRJGJOCQQAQ-UHFFFAOYSA-N 240.144 2.731 0 30 BFAC Cc1cc2c(cc1Br)[C@@H](N)CC2 238481018 JKNDFHIQSYIFBW-JTQLQIEISA-N 226.117 2.704 0 30 BFAC N[C@H]1CN(Cc2ccccc2)C2(CCCCC2)C1 1554770453 CAEOSVQJXCUHSM-OAHLLOKOSA-N 244.382 2.923 0 30 BFAC O=C(O)Cc1nc(-c2ccccc2F)cs1 20432939 IHMBHIOGTQMMMF-UHFFFAOYSA-N 237.255 2.576 0 30 BFAC Cc1cccc(C(=O)[C@@H]2CCC[C@@H]2C(=O)O)c1C 91676022 FQEGSIOKFYJWIQ-OLZOCXBDSA-N 246.306 2.987 0 30 BFAC Oc1c(Cl)c(O)c(Cl)c(O)c1Cl 6090874 MHKCQYLJFGNSQZ-UHFFFAOYSA-N 229.446 2.764 0 30 BFAC OC1(c2cccc(C(F)(F)F)c2)CC1 54346664 ZDFBWLDHZUETCD-UHFFFAOYSA-N 202.175 2.687 0 30 BFAC CC(C)(C)c1cccc(-c2cc(N)n[nH]2)c1 691749372 AHARHXVVYGYKGS-UHFFFAOYSA-N 215.300 2.956 0 30 BFAC CC(=O)N1[C@H]2CCCC[C@@H]2[C@H]2CCCC[C@H]21 34204312 WCFMVZYSXWPQCW-SYQHCUMBSA-N 221.344 2.966 0 30 BFAC N[C@@]1(C(F)(F)F)CCCc2ccccc21 82670938 JMRLPVTXGZFDSA-JTQLQIEISA-N 215.218 2.739 0 30 BFAC O=C(O)CCCCCc1ccccc1O 144146177 SMYWKSLAJMPFSS-UHFFFAOYSA-N 208.257 2.580 0 30 BFAC Nc1ccccc1C1(C(F)(F)F)CC1 307065859 SOMMUDVHTHGWPS-UHFFFAOYSA-N 201.191 2.863 0 30 BFAC C[C@@H](CCOP(=O)(O)O)CC(C)(C)C 38637138 CPVSQXHMFHZDCI-QMMMGPOBSA-N 224.237 2.558 0 30 BFAC CCN(CC)C(=S)C[Si](C)(C)C 196509314 YIGNZMUFTJIPAG-UHFFFAOYSA-N 203.427 2.994 0 30 BFAC CSc1c(Br)cccc1CCN 402908463 LHQVVSVTOIGVTK-UHFFFAOYSA-N 246.173 2.672 0 30 BFAC CCCCN(CCCC)C[C@H](C)C(=O)OC 33606120 JWMZBTCOXOGERJ-LBPRGKRZSA-N 229.364 2.698 0 30 BFAC O[C@H](c1ccncc1)c1c[nH]c2ccccc12 161467 RKZFVUCRFYYPKI-CQSZACIVSA-N 224.263 2.645 0 30 BFAC C[C@@H](O)c1c[nH]c2ccc(Br)cc12 95697814 XFBZKZYXTCXBEL-ZCFIWIBFSA-N 240.100 2.984 0 30 BFAC CCc1c(C(=O)O)c2ccc(F)cc2n1C 215856359 FTQSQWDSHNNCNM-UHFFFAOYSA-N 221.231 2.578 0 30 BFAC CN(Cc1ccc(Br)cc1)N=O 5965739 AOGKIHZSOZKJSD-UHFFFAOYSA-N 229.077 2.562 0 30 BFAC COc1cc([C@@H](C)CC(=O)O)ccc1C 34415473 DRPPGDDMDVRWKF-VIFPVBQESA-N 208.257 2.582 0 30 BFAC c1ccc2c(c1)OCCC[C@@H]2NC1CC1 35652699 XPNQVYVMKPUWTP-LBPRGKRZSA-N 203.285 2.652 0 30 BFAC COC[C@H](N)c1cc2ccccc2s1 74179976 URDTVUKYOYAQPH-VIFPVBQESA-N 207.298 2.548 0 30 BFAC COc1cccc(C(=O)c2ccccc2)c1OC 39439128 WWMFRKPUQJRNBY-UHFFFAOYSA-N 242.274 2.935 0 30 BFAC O=C(O)c1csc2c(F)cc(F)cc12 300918523 TVTQIDWFBFPZPJ-UHFFFAOYSA-N 214.192 2.878 0 30 BFAC CCN[C@H]1CCOc2c(C)cc(F)cc21 129273142 LTLBEMNXVNAHRY-NSHDSACASA-N 209.264 2.567 0 30 BFAC Cn1cccc1CNc1ccc2ncn(C)c2c1 1162709361 FQTUBUBFIOIUCL-UHFFFAOYSA-N 240.310 2.524 0 30 BFAC O=c1cc(O)[nH]c2cc(Cl)cc(Cl)c12 81394 QQCAUPUXMKFNTH-UHFFFAOYSA-N 230.050 2.541 0 30 BFAC O=Cc1ccc(Nc2ccc(O)cc2)cc1 1996158 NSFVFQKFOIZIHI-UHFFFAOYSA-N 213.236 2.948 0 30 BFAC C[S@](=O)c1sc(Cl)c2c1C(=O)CCC2 4351322 PGSSJIDFZJTWLZ-CQSZACIVSA-N 248.756 2.658 0 30 BFAC CC1(C)CC[C@H]2CNCc3cccc1c32 82784369 HSFBXCCATDRXEL-NSHDSACASA-N 201.313 2.945 0 30 BFAC Cc1nc(-c2ccc(-c3ccno3)s2)no1 12368978 XMKIPAJOZXKUNN-UHFFFAOYSA-N 233.252 2.762 0 30 BFAC CC[C@@H]1C=Cc2cc3c(cc2[C@@H]1O)OCO3 39102024 TVXJMYGVLUXCBM-AMIZOPFISA-N 218.252 2.502 0 30 BFAC C[C@H]1CNC[C@@H]1c1ccc(Br)cc1 77385612 QXUJIOLCDXSPIW-KWQFWETISA-N 240.144 2.772 0 30 BFAC O=C1CCN(C2CC2)[C@H](c2ccccc2)C1 299805562 VARHAIHELAQXFC-AWEZNQCLSA-N 215.296 2.555 0 30 BFAC Clc1nccnc1OCc1ccccc1 43536576 MNMFOHDKDACCSN-UHFFFAOYSA-N 220.659 2.709 0 30 BFAC Cc1cc([C@@H](C)O)ccc1Br 62721533 PQAOTIKGTPSSAH-SSDOTTSWSA-N 215.090 2.811 0 30 BFAC CNCc1ccccc1NC(=O)OC(C)(C)C 83502403 ZDEWNEXBRZAVHD-UHFFFAOYSA-N 236.315 2.753 0 30 BFAC Cc1ccc(C(F)(F)F)c(NNF)c1 299803548 XOGXITBYERZIOO-UHFFFAOYSA-N 208.158 2.815 0 30 BFAC CCOC(=O)[C@H](C/C=C/Cl)C(C)C 34408764 KTYPEEJPWXCWGE-VPIOIWJLSA-N 204.697 2.964 0 30 BFAC Cc1nc2sc3cc(F)ccc3n2c1C=O 96347112 OOUIABOBGHNUJH-UHFFFAOYSA-N 234.255 2.809 0 30 BFAC Brc1cccnc1C1CCOCC1 237963451 JYTWVOBKOYIHED-UHFFFAOYSA-N 242.116 2.738 0 30 BFAC CCN(CC)CCC(=O)c1ccc(F)cc1 4891658 UDMQAYDYSACXAS-UHFFFAOYSA-N 223.291 2.740 0 30 BFAC CN(Cc1ccccc1)C1(CN)CCCCC1 19807922 OBZUGXDFZLYGQH-UHFFFAOYSA-N 232.371 2.780 0 30 BFAC COc1cc(OC)c2c(c1)[C@H](C)[C@@H](C)C2=O 21989859 FGBFEFJZYZDLSZ-HTQZYQBOSA-N 220.268 2.640 0 30 BFAC CC(C)OCCCOc1ccccc1C=O 125782766 MQZSROUFBAVMCH-UHFFFAOYSA-N 222.284 2.693 0 30 BFAC O[C@H]1CCCc2cc(Br)ccc21 140716309 RFYHJMTWWYDROP-JTQLQIEISA-N 227.101 2.819 0 30 BFAC C[C@@H]1CC[C@@H](N)[C@@H](N2CCc3ccccc3C2)C1 20282582 LTPYDUURZCTDIC-WQVCFCJDSA-N 244.382 2.561 0 30 BFAC NCc1cc2ccc(Br)cc2o1 83049050 MXJORIXNRMNWMZ-UHFFFAOYSA-N 226.073 2.654 0 30 BFAC COc1ccc(CN[C@@H](C)C2CCC2)c(OC)c1 118953577 BKNJYJPCIHQYNG-NSHDSACASA-N 249.354 2.982 0 30 BFAC C[C@]1(Cc2cc(F)c(F)c(F)c2)CCCN1 134345713 FWYODGUFVULODX-GFCCVEGCSA-N 229.245 2.789 0 30 BFAC CC(C)(O)CCCC[C@@H](O)C(C)(C)C 5353978 AMNHLQWCSMTIRY-SNVBAGLBSA-N 202.338 2.725 0 30 BFAC Brc1ccnc(C2CCOCC2)c1 72192295 GMNOLLRJEWMQSS-UHFFFAOYSA-N 242.116 2.738 0 30 BFAC O=C(CF)c1ccccc1C(F)(F)F 117950944 MGFOYMXWGHDXQN-UHFFFAOYSA-N 206.138 2.858 0 30 BFAC Cc1[nH]c2ccccc2c1[C@@H]1CCNC1 71490352 UCFHKXKCSMHQFI-SNVBAGLBSA-N 200.285 2.553 0 30 BFAC CCCC[C@@H]1C(=O)[C@H](C)C[C@H]1CC(=O)OC 267327585 MSBRSFQZKZOPDR-VWYCJHECSA-N 226.316 2.581 0 30 BFAC Cc1c(C)n(CCCN)c2ccccc12 3888712 ZUZXYHMKBKFVBR-UHFFFAOYSA-N 202.301 2.607 0 30 BFAC O[C@](c1ccccc1)(C1CC1)C(F)(F)F 34286657 KRHLCHSAMBEJFD-SNVBAGLBSA-N 216.202 2.847 0 30 BFAC in-vitro CC1(c2cc(Cl)cc(Cl)c2)CNC1 221072007 LOWYSEBMYMDUAG-UHFFFAOYSA-N 216.111 2.854 0 30 BFAC C[C@]1(c2ccc3ccccc3c2)O[C@@H]1C(=O)O 90693854 ZHPUQUVBHISIBQ-TZMCWYRMSA-N 228.247 2.538 0 30 BFAC CC(C)(C)OC(=O)c1cccc(C2(N)CC2)c1 95938127 ZHYBSCVSARBULJ-UHFFFAOYSA-N 233.311 2.590 0 30 BFAC Nc1cccc(-c2[nH]nc3c2CCCC3)c1 32628092 KVBOMBWNRTZOAU-UHFFFAOYSA-N 213.284 2.538 0 30 BFAC N[C@H]1CCC[C@@H](c2ccc(F)c(F)c2)C1 70637097 MCBOYWFAUSDEHK-SCZZXKLOSA-N 211.255 2.950 0 30 BFAC O[C@H]1CCC[C@@H](n2ncc3ccccc32)C1 86603042 QFUAWLFBGRZCGR-NEPJUHHUSA-N 216.284 2.512 0 30 BFAC COc1cc(Br)cc2c1C(=O)CC2 202710914 LWUXXRGOGYBNHJ-UHFFFAOYSA-N 241.084 2.587 0 30 BFAC C=CCOC(=O)c1ccc(N)c(OCC(C)C)c1 206504760 YMPNZCSCFYLPBE-UHFFFAOYSA-N 249.310 2.646 0 30 BFAC CC(C)Oc1cccnc1Br 38952420 OEYWNNYESKWLGO-UHFFFAOYSA-N 216.078 2.631 0 30 BFAC in-vitro CC(C)C(=O)C[C@@H](C)CC(=S)N(C)C 45817703 QVAWDJUWFHTLON-SECBINFHSA-N 215.362 2.517 0 30 BFAC Cc1cc(Br)c2nsnc2c1 196501106 XUAYIGKYDBSWND-UHFFFAOYSA-N 229.102 2.762 0 30 BFAC CN1CC[C@@]2(c3cccc(O)c3)CC[C@H]1C2 256012834 YDOKOHADCAAFMI-JSGCOSHPSA-N 217.312 2.518 0 30 BFAC COc1ccc2c(c1)[C@H](N)CC1(CCCC1)O2 11730141 UZXQBXZYKMGMIZ-GFCCVEGCSA-N 233.311 2.790 0 30 BFAC Nc1ccc(-c2ccccc2Cl)cn1 16946519 IYEZYIQUFDKFOV-UHFFFAOYSA-N 204.660 2.984 0 30 BFAC CC1=C(O)C(=O)O[C@@H]1c1c(F)cccc1Cl 20421186 IBXNVSVLCYVZSS-JTQLQIEISA-N 242.633 2.909 0 30 BFAC CC(=O)C1=CN(C(C)=O)C=C[C@@H]1c1ccccc1 36373747 DVSNYWIVODISNY-CQSZACIVSA-N 241.290 2.619 0 30 BFAC FC(F)(F)c1ccc(NNCl)cc1 64220215 YSFIZEUPQACEBH-UHFFFAOYSA-N 210.586 2.776 0 30 BFAC CN1N=C(c2ccc(Cl)s2)CSC1=O 6995610 NPXUZJQSBOFJHH-UHFFFAOYSA-N 246.744 2.904 0 30 BFAC CSC[C@H](N)c1ccccc1Cl 54495395 ROSACFFAABWTHX-VIFPVBQESA-N 201.722 2.703 0 30 BFAC CC(C)(N)Cc1ccc(Cl)c(F)c1 75068455 MMUNJMKWKKCFQF-UHFFFAOYSA-N 201.672 2.759 0 30 BFAC Clc1cc2sc(Cl)nc2cn1 89229128 YZFIXMWOHQLSFV-UHFFFAOYSA-N 205.069 2.998 0 30 BFAC Cc1ccc(C)c(C(=O)[C@@H]2CCC[C@@H]2C(=O)O)c1 91676026 FLJWIBAXNGPNHL-NEPJUHHUSA-N 246.306 2.987 0 30 BFAC CC(C)C(c1ccc(CO)cn1)C(C)C 675050886 YJHBHHOVZGKSHS-UHFFFAOYSA-N 207.317 2.970 0 30 BFAC CC(C)(C)OC(=O)NCc1ncc(Cl)s1 719385492 LQZFHBFUFNOASZ-UHFFFAOYSA-N 248.735 2.821 0 30 BFAC COc1cc(OC)c(C(C)C)cc1C(=O)O 71624357 HBZUUAZIRUJIBP-UHFFFAOYSA-N 224.256 2.525 0 30 BFAC Cc1c(Br)cnn1C(C)C 75838752 ODWXMADXDUAWSO-UHFFFAOYSA-N 203.083 2.535 0 30 BFAC COc1cccc(Br)c1S 238359141 AIBKDJFRUUZPDU-UHFFFAOYSA-N 219.103 2.746 0 30 BFAC Cc1cccc(CN2CCC[C@@H](C(=O)O)C2)c1C 3750148 IGOSXSUTEATQTM-CQSZACIVSA-N 247.338 2.600 0 30 BFAC COc1cccc([C@@](C)(O)c2ccccc2)c1 21301071 WRJXFQWMVZOMDQ-HNNXBMFYSA-N 228.291 2.951 0 30 BFAC Cc1cc(Oc2ccc(Cl)cc2)nc(N)n1 43531970 SZVOYWHZVVUJBH-UHFFFAOYSA-N 235.674 2.813 0 30 BFAC CCOP(=O)(OCC)[C@@H]1CCCCC1=O 104838594 LCPPKUNUSIZGQC-SNVBAGLBSA-N 234.232 2.764 0 30 BFAC Cc1cc(Br)c(C#N)c([N+](=O)[O-])c1 115916291 PNKLEWZARFBPBR-UHFFFAOYSA-N 241.044 2.537 0 30 BFAC Fc1ncc(C(F)F)cc1Br 238549108 OJZSTKNEKPRSOM-UHFFFAOYSA-N 225.995 2.921 0 30 BFAC CN(C)c1ncc(Br)cc1Cl 82548213 JJICYSQYWZTBNF-UHFFFAOYSA-N 235.512 2.564 0 30 BFAC in-vitro COc1cc(Cl)c(O)c(Br)c1 217051604 SOZDIINGBGIUAX-UHFFFAOYSA-N 237.480 2.817 0 30 BFAC COc1ccc([C@H](N)C2CC2)cc1Cl 3739222 VLKUEGZZRRTLQX-LLVKDONJSA-N 211.692 2.758 0 30 BFAC COc1cc(OC)c2c(c1)[C@H](C)[C@H](C)C2=O 21989857 FGBFEFJZYZDLSZ-SFYZADRCSA-N 220.268 2.640 0 30 BFAC Cc1ccc(C[C@H](N)c2ccccn2)cc1 37466305 GUZDWEYVNRADMO-ZDUSSCGKSA-N 212.296 2.633 0 30 BFAC O=C(O)[C@@H](c1cccnc1)C1CCCCC1 83010699 OOXAKMFDZKNVTF-GFCCVEGCSA-N 219.284 2.830 0 30 BFAC Clc1ccc2c(Br)ncn2c1 306871313 XAWZIKFVVANXQQ-UHFFFAOYSA-N 231.480 2.750 0 30 BFAC CC(C)(C)OC(=O)[C@@H]1C[C@H](N)c2ccccc21 334163819 JNARGVBQPSLVNS-NEPJUHHUSA-N 233.311 2.515 0 30 BFAC COC(=O)C[C@H](O)c1ccc(Cl)cc1Cl 1536174915 FNVQDTROGWTBIU-VIFPVBQESA-N 249.093 2.590 0 30 BFAC COc1ccc([C@@H]2C[C@H](C)CN2)c(C)c1C 3704416 DMYWBWPJMGFYQI-ZANVPECISA-N 219.328 2.983 0 30 BFAC Cc1nc2c(s1)CC[C@H](CNC(C)C)C2 33874405 AWBBKHADPLLIMG-JTQLQIEISA-N 224.373 2.554 0 30 BFAC CC(C)c1ccc(Nc2nnns2)cc1 71577 HRLFLEWEVCJNSR-UHFFFAOYSA-N 220.301 2.800 0 30 BFAC CCOC(=O)[C@@]1(C(C)=O)CC=C(C)C[C@@H]1C 5857801 IBMDADQQJZKLJI-GWCFXTLKSA-N 224.300 2.501 0 30 BFAC Nc1nc2ccccc2n1-c1ccc(F)cc1 20586149 AEAOFTBZFMMLGQ-UHFFFAOYSA-N 227.242 2.747 0 30 BFAC in-vitro O=C(N[C@@H]1CC2CCC1CC2)c1ccccc1 136582 PKNKWNDXBCGMBJ-ORHYLEIMSA-N 229.323 2.995 0 30 BFAC COc1ccc(-c2cccnc2)cc1F 47212844 UELLXWZXEYUMPD-UHFFFAOYSA-N 203.216 2.896 0 30 BFAC CC(C)(C)OC(=O)Nc1ncc(O)cc1Cl 306343163 CPQQXYBVMAGPHR-UHFFFAOYSA-N 244.678 2.788 0 30 BFAC Cc1cccc2c(=O)[nH]cc(Br)c12 11581 VSJHFWDYFQTNCW-UHFFFAOYSA-N 238.084 2.599 0 30 BFAC CC(C)(C)c1ccc(N2C(=N)SCC2=O)cc1 4382699 YTLICRYXMYRUQB-UHFFFAOYSA-N 248.351 2.999 0 30 BFAC NC[C@@H]1CCCN(Cc2ccccc2Cl)C1 11888350 YZDCSVQBSXRJBL-NSHDSACASA-N 238.762 2.511 0 30 BFAC Cc1ccccc1NC1CCN(C)CC1 19964933 MBOYHTAEABVRNL-UHFFFAOYSA-N 204.317 2.501 0 30 BFAC CC[C@@H](N)c1nc2cc(Cl)ccc2[nH]1 35411231 OOXCUMVDAIKTEP-SSDOTTSWSA-N 209.680 2.626 0 30 BFAC CC[C@H](C(=O)O)c1c[nH]c2ccccc12 39188406 BFHAQYNXHDWMOU-QMMMGPOBSA-N 203.241 2.746 0 30 BFAC Cc1cccc([C@H]2NCCc3cc(O)ccc32)c1 3731770 WXDCZXLREKIUHV-MRXNPFEDSA-N 239.318 2.936 0 30 BFAC biogenic Brc1cc([C@H]2CCCN2)cs1 83330341 XOGXBHWAVZMOLT-SSDOTTSWSA-N 232.146 2.935 0 30 BFAC O=C(Cc1ccccc1)C(F)(F)Br 90225692 NPXQURIDBHHQMW-UHFFFAOYSA-N 249.054 2.786 0 30 BFAC in-vitro C[C@@](CC(F)(F)F)(C(=O)O)c1ccccc1 405187182 JRGWXXWNUHVRDO-JTQLQIEISA-N 232.201 2.981 0 30 BFAC CC[C@H]1C(=O)C=C[C@@H]1[C@@H](O)c1ccccc1 34569353 DOBREOBEUBVICD-DYEKYZERSA-N 216.280 2.501 0 30 BFAC N[C@@]1(c2cccc(Br)c2)CC1(F)F 1536097718 OMMNMDWXQJXCJR-MRVPVSSYSA-N 248.070 2.642 0 30 BFAC CN(C)CCc1c2c(cc3c1CCC3)CCC2 33885171 OKTGTDQHDFZNAX-UHFFFAOYSA-N 229.367 2.768 0 30 BFAC FC(F)(F)Oc1ccc(C[C@@H]2CCNC2)cc1 134756241 QZFHXDQTRDYSCJ-JTQLQIEISA-N 245.244 2.737 0 30 BFAC CCOC(=O)/C=C/c1ccc(OCC)c(F)c1 575447816 BTNLVYNQXRYOSG-SOFGYWHQSA-N 238.258 2.801 0 30 BFAC CCCCCC[C@H](O)CCCCC(=O)O 2008597 JSSMLGKWQYPKBS-NSHDSACASA-N 216.321 2.963 0 30 BFAC biogenic CCOc1cccc2c1CCC[C@H]2CNC 38975341 GDNGVGPSMRARNS-NSHDSACASA-N 219.328 2.725 0 30 BFAC CC(=O)C1CCC(NC(=O)OC(C)(C)C)CC1 114120692 AYDMRXYIKDXUBB-UHFFFAOYSA-N 241.331 2.659 0 30 BFAC Clc1cn2ccc(Br)cc2n1 238554968 VAUXPIRGRCHCKF-UHFFFAOYSA-N 231.480 2.750 0 30 BFAC O=C(O)C(F)(F)c1ccsc1C(F)(F)F 307011697 PESSOLNDGRJPQF-UHFFFAOYSA-N 246.156 2.943 0 30 BFAC C[C@H](C(=O)O)c1ccc(C(F)F)cc1 214211122 JAQCPAZIZKBYCM-LURJTMIESA-N 200.184 2.812 0 30 BFAC Clc1ccc(OCCCN2CCCC2)cn1 87543354 KAMUKHGRNLMNRV-UHFFFAOYSA-N 240.734 2.600 0 30 BFAC O[C@H]1CCOc2cc(Cl)c(Cl)cc21 307254907 YRGDESOCVQSAEN-QMMMGPOBSA-N 219.067 2.809 0 30 BFAC CCOc1cc(Br)cc(F)c1C=O 714060512 PCVSUPHHCNMYTQ-UHFFFAOYSA-N 247.063 2.799 0 30 BFAC Nc1cccc(CCCO)c1-c1ccccc1 2265384592 XEVYQKVSHJRAAR-UHFFFAOYSA-N 227.307 2.861 0 30 BFAC O=c1oc(Nc2ccccc2)nc2ccccc12 68786 UUMLXNZZKFQMMR-UHFFFAOYSA-N 238.246 2.932 0 30 BFAC C[C@@H](NC(C)(C)C)C(=O)c1cccc(F)c1 3607976 CCGVLNAUEKVICK-SECBINFHSA-N 223.291 2.785 0 30 BFAC in-vivo CCOc1ccc2c(c1)[C@@H](N)CCS2 39099624 SKJZJEPQNZBBOX-JTQLQIEISA-N 209.314 2.581 0 30 BFAC CC[C@]1(C(=O)O)CCCc2ccccc21 54633899 BKXUSWUZCVUOFF-ZDUSSCGKSA-N 204.269 2.755 0 30 BFAC CCCCCCCC[C@]1(C)O[C@@H]1C(=O)O 100299092 GLHDTOZHBNFVQW-PWSUYJOCSA-N 214.305 2.979 0 30 BFAC O=C(c1cccc(C(F)(F)F)c1)c1ncc[nH]1 107849677 IBLHQQPXXRUBDY-UHFFFAOYSA-N 240.184 2.660 0 30 BFAC O=C(O)/C=C\Sc1cc(F)ccc1F 211527063 SAJFEKOPHHZMGB-ARJAWSKDSA-N 216.208 2.655 0 30 BFAC CC[S@@](=N)(=O)c1cccc(Cl)c1 521399550 YBVKBJOUBZSWBM-GFCCVEGCSA-N 203.694 2.766 0 30 BFAC Cc1ccccc1-c1n[nH]c(=O)c2ccccc12 66674 HOPMYPKEIHRCPH-UHFFFAOYSA-N 236.274 2.899 0 30 BFAC N[C@]1(c2ccc(Cl)cc2)CC1(F)F 1536097962 QTCBCEXDNQFVQT-QMMMGPOBSA-N 203.619 2.533 0 30 BFAC NC1(c2ccc(Cl)cc2Cl)CCOCC1 11884907 OWTHKFWXZKQTSF-UHFFFAOYSA-N 246.137 2.958 0 30 BFAC NNc1cccc(C(F)(F)F)c1Cl 203878435 SDIJOJMWAWVOQF-UHFFFAOYSA-N 210.586 2.644 0 30 BFAC Cc1nnc(-c2csc(-c3cccnc3)n2)o1 172654 HRIZZOPDUNPVGX-UHFFFAOYSA-N 244.279 2.564 0 30 BFAC COc1cc(C)cc([C@@H]2C[C@H](C)CN2)c1 3704975 ACYDJPDBDQGWRP-GWCFXTLKSA-N 205.301 2.674 0 30 BFAC O=C(O)c1cccc(-n2cnc3ccccc32)c1 13782603 JGRMSAIUGUVHHM-UHFFFAOYSA-N 238.246 2.724 0 30 BFAC O=C(O)C[C@@H](c1ccc(F)c(F)c1)C1CC1 36161721 IVCQMJNKNPBJPU-SECBINFHSA-N 226.222 2.933 0 30 BFAC COC(=O)c1ccc2c(c1)C=CC(C)(C)N2 39109830 MFIPKIIJGXMQLZ-UHFFFAOYSA-N 217.268 2.691 0 30 BFAC COc1cccc(C2(CN)CC3(CCC3)C2)c1 86544485 CVDPUIVMNHNXGY-UHFFFAOYSA-N 231.339 2.856 0 30 BFAC C/C=C1/C=C(N2CCOCC2)CC(C)(C)C1 204978051 UTOQXBAMXGKPKA-QCDXTXTGSA-N 221.344 2.969 0 30 BFAC CCc1ccc(/C=C/C(=O)N2CCCC2)cc1 356041 XJXGZGGEDOXYCR-MDZDMXLPSA-N 229.323 2.885 0 30 BFAC C[C@H](CC(=O)O)c1ccc(F)c(F)c1 20260007 XEGNLSSZSLFSBH-ZCFIWIBFSA-N 200.184 2.543 0 30 BFAC CCCSc1nc(C)nc2scnc12 32222389 LJUHPHVEQPILOK-UHFFFAOYSA-N 225.342 2.897 0 30 BFAC CCN(CC)[C@H](C)C(=O)c1ccc(F)cc1 33986011 WGNVSJYDYFTELF-SNVBAGLBSA-N 223.291 2.739 0 30 BFAC O=C1O[C@H]2CCCC[C@@H]2N1Cc1ccccc1 196971749 MZXUZSNVBLEJKL-STQMWFEESA-N 231.295 2.950 0 30 BFAC O=C1c2cccc3cccc(c23)[C@]12OCCS2 164478 SNNYRKDSKXLDAI-CQSZACIVSA-N 242.299 2.952 0 30 BFAC CCCCC[C@@H](C[C@@H](OC)OCC)OC 1633943 RRIRPAZDEZXYKM-RYUDHWBXSA-N 218.337 2.981 0 30 BFAC Fc1ccc2c(Br)noc2c1 238619210 GVNWURFIAZOGRY-UHFFFAOYSA-N 216.009 2.729 0 30 BFAC CC(C)CCCCCCOCCCN 5758373 HYEOYFUOERFWIX-UHFFFAOYSA-N 201.354 2.958 0 30 BFAC O=Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1 13534320 OWRVVBLHUAFCNN-UHFFFAOYSA-N 242.230 2.990 0 30 BFAC Cc1ccc(C[C@@H](N)c2ccccn2)cc1 37466307 GUZDWEYVNRADMO-CYBMUJFWSA-N 212.296 2.633 0 30 BFAC CCc1cccc(C(=O)N(CC)CC)c1 38856097 DOIBUZWYYKCRDV-UHFFFAOYSA-N 205.301 2.731 0 30 BFAC Nc1cc2c(cn1)[nH]c1ccc(Cl)cc12 95556218 IWLKYYJKGVKWME-UHFFFAOYSA-N 217.659 2.952 0 30 BFAC CC(=O)CC(=O)c1ccccc1C(F)(F)F 101838713 IYKWXHHGWGTFIX-UHFFFAOYSA-N 230.185 2.867 0 30 BFAC C[C@@H]1C[C@]2(C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)OC1=O 256421670 ICZMJALAXFOIJH-VEWLJJDFSA-N 220.312 2.764 0 30 BFAC c1cc[n+]([C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)cc1 2265340009 SWNCWKCFRVMYDI-BIQWYFBQSA-N 214.332 2.899 0 30 BFAC CCCCOP(=O)(OCC)OCC 1841070 DWSYMNWJOYKKCK-UHFFFAOYSA-N 210.210 2.984 0 30 BFAC CN(C(=O)OC(C)(C)C)c1ccnc2[nH]ccc12 30678169 OLFWOCWFILUOBA-UHFFFAOYSA-N 247.298 2.934 0 30 BFAC CCOc1cccc(-c2ccc(C(=O)O)cn2)c1 65347830 OXXLCGCABGXUPM-UHFFFAOYSA-N 243.262 2.846 0 30 BFAC O=C1CC[C@@H]1c1ccc(Br)cc1 238010593 FHPRAWFRDFMTIP-SECBINFHSA-N 225.085 2.896 0 30 BFAC Nc1ncc(C2CCC2)cc1Br 96134538 OKCDSBJYSZLAKJ-UHFFFAOYSA-N 227.105 2.694 0 30 BFAC N[C@]1(c2ccc(Br)cc2)CC1(F)F 1536091861 CLMNSPCUICYKKR-QMMMGPOBSA-N 248.070 2.642 0 30 BFAC CC(C)CSCc1ccc(C(=O)O)o1 34938869 TVRVNZCPVCZDPW-UHFFFAOYSA-N 214.286 2.867 0 30 BFAC Cc1c(N)cnc2ccc(Br)cc12 116514938 NKGDKJIYBYNMHR-UHFFFAOYSA-N 237.100 2.888 0 30 BFAC CCOc1ccc2cc(OC)ccc2n1 39099260 CVNIVCGKCJQZQO-UHFFFAOYSA-N 203.241 2.642 0 30 BFAC CC(C)(C)C(=O)N1CCC[C@H]1c1ccncc1 70250287 ZXNSQOIDJODXPP-LBPRGKRZSA-N 232.327 2.791 0 30 BFAC in-vitro C[C@@H]1CNC[C@H]1c1ccc(Br)cc1 77385613 QXUJIOLCDXSPIW-LDYMZIIASA-N 240.144 2.772 0 30 BFAC C[C@H](O)c1ccc(C(F)(F)F)cc1F 95637132 VTMYIFLWZWVKBQ-YFKPBYRVSA-N 208.154 2.898 0 30 BFAC C[C@]12CC[C@H]3[C@@]1(C)C[C@@]32C(=O)Nc1nccs1 256947263 NSVORTCAPMMYCZ-MHNYQROPSA-N 248.351 2.908 0 30 BFAC Cc1c(Cl)nc2c(c(C)nn2C)c1Cl 390822161 NKZJAUQSVRRTBO-UHFFFAOYSA-N 230.098 2.892 0 30 BFAC Cc1ccc([C@H]2N=NNC2=S)c(C)c1 72497 WZTMIYCJTAUZFP-SECBINFHSA-N 205.286 2.642 0 30 BFAC O=C(Oc1ccccc1)c1ccc2c(c1)CCO2 168925 HSIBNTRKQQQUDO-UHFFFAOYSA-N 240.258 2.841 0 30 BFAC CC(=O)Oc1ccc2c(c1)CCC(C)(C)O2 34566405 NOTCXAFPPLRXEE-UHFFFAOYSA-N 220.268 2.716 0 30 BFAC O=C(C1CCC(F)(F)CC1)C(F)(F)F 1536104942 SVMSBWXNPLYYSE-UHFFFAOYSA-N 216.149 2.943 0 30 BFAC Cc1cccc(-c2ccc(C(=N)NO)o2)c1 3924664 RHNMNKHEGMHBNE-UHFFFAOYSA-N 216.240 2.559 0 30 BFAC Brc1cccnc1-c1ccccn1 88190124 UTBSBPGOZHRBQB-UHFFFAOYSA-N 235.084 2.906 0 30 BFAC CS[C@H](C(=O)O)c1cccc(Cl)c1 238392073 WREJFCAEDPZXLN-QMMMGPOBSA-N 216.689 2.829 0 30 BFAC C[C@]1(OC=O)CCC[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]21 256598641 QNQHYBLGQZYPSY-YYHQMBLXSA-N 206.285 2.540 0 30 BFAC C[C@](N)(CC(F)(F)F)c1ccccc1 406012440 WPEDTWZTTCGSBT-VIFPVBQESA-N 203.207 2.813 0 30 BFAC Clc1ccc2[nH]c(C3=NCCO3)cc2c1 2265382659 UUVSYEVMQUOQCC-UHFFFAOYSA-N 220.659 2.598 0 30 BFAC C[S@](=O)c1ccc(C(=O)c2ccccc2)cc1 39249262 VXBCJVHBULDKIG-QGZVFWFLSA-N 244.315 2.655 0 30 BFAC CC(C)N1CCC(NCCc2ccccc2)CC1 19919742 ASNFEVVRJBFIIN-UHFFFAOYSA-N 246.398 2.692 0 30 BFAC N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 216657146 SRHWDXIGQIWABB-WAAGHKOSSA-N 215.218 2.910 0 30 BFAC COc1cc(Br)c2c(c1)NCCC2 217409759 NCNAMHKERCRSAD-UHFFFAOYSA-N 242.116 2.816 0 30 BFAC CCC[C@H](O)CC[C@H]1O[C@H](C)CC(C)(C)O1 5838823 PGJWDNHHHKORMH-WOPDTQHZSA-N 230.348 2.858 0 30 BFAC COC(=O)c1csc(Br)c1C 95883543 KCEGSCLXZUDMMM-UHFFFAOYSA-N 235.102 2.606 0 30 BFAC CC(F)(F)c1cc(Cl)nc(Cl)n1 107268448 AZYZNBTXZQNJGY-UHFFFAOYSA-N 213.014 2.895 0 30 BFAC OC1(c2ccc(C(F)(F)F)cc2)CC1 54346316 RDYHPHDZQVPQRB-UHFFFAOYSA-N 202.175 2.687 0 30 BFAC in-vitro O=C(O)[C@@H]1CC[C@@H]1n1cc(-c2ccccc2)cn1 129459107 SVRPQELBVVTWSW-OLZOCXBDSA-N 242.278 2.586 0 30 BFAC CN(c1nccc(Cl)n1)C1CCCCC1 725343499 BROYRFVFXFCIDQ-UHFFFAOYSA-N 225.723 2.899 0 30 BFAC COc1ccc(-c2n[nH]c3c2CCCC3)cc1 5115768 SKKOHZJNXZCTFG-UHFFFAOYSA-N 228.295 2.964 0 30 BFAC COC(C)(C)CCC[C@H](C)[C@H]1CCC(=O)O1 6020546 BZWMNDPUJKKIEE-WDEREUQCSA-N 228.332 2.923 0 30 BFAC COc1ccc(NC2(C(=O)O)CCCC2)cc1 2559565 RJXWLNSCBGKJTQ-UHFFFAOYSA-N 235.283 2.505 0 30 BFAC CC(C)c1ccc2c(C(=O)O)c[nH]c2c1 12955886 NWDJUCWGCOBAIB-UHFFFAOYSA-N 203.241 2.990 0 30 BFAC COc1ccc([C@H]2CCC(=O)C2)c(C)c1 39105265 SMWJRXXMBHVYOK-JTQLQIEISA-N 204.269 2.840 0 30 BFAC N[C@H]1CCC[C@H](c2ccc(F)c(F)c2)C1 70637098 MCBOYWFAUSDEHK-WPRPVWTQSA-N 211.255 2.950 0 30 BFAC Cc1sc(CO)nc1OCc1ccccc1 584880231 NJXYEXUKTXVBQF-UHFFFAOYSA-N 235.308 2.523 0 30 BFAC C[C@H]1C[C@H](C)CN(C(=O)C2CCCC2)C1 5529515 HLQTYIFQYLZFEB-QWRGUYRKSA-N 209.333 2.681 0 30 BFAC Cc1cc(OCc2ccccn2)ccc1N 21965201 BEFRHRVATVHQBB-UHFFFAOYSA-N 214.268 2.551 0 30 BFAC O=c1[nH]c2cc(C(F)(F)F)cc(Cl)c2[nH]1 34483403 BBJWTCNZXPQTHJ-UHFFFAOYSA-N 236.580 2.528 0 30 BFAC CC(=O)c1cc2ccc(O)c(C(C)=O)c2o1 39199615 IBFVVZOKCVYGTO-UHFFFAOYSA-N 218.208 2.544 0 30 BFAC CNC(=O)Cc1c(Cl)sc2ccccc12 172237 PUQFPGPJTYTWPN-UHFFFAOYSA-N 239.727 2.843 0 30 BFAC CNC(=O)OCc1cccc(Cl)c1Cl 2032594 SESJCOBCXSACPH-UHFFFAOYSA-N 234.082 2.849 0 30 BFAC Oc1ccc(Oc2ccc(Cl)nn2)cc1 37674429 FDMRSUOUJZHRAN-UHFFFAOYSA-N 222.631 2.628 0 30 BFAC O=C(C=Cc1ccccc1)OCc1cncs1 2265239510 WOQRFVWAGYMIME-UHFFFAOYSA-N 245.303 2.900 0 30 BFAC Cc1ccc(C)n1[C@@H](C(=O)O)C(C)(C)C 82503205 MEWSBOFVAFUOJZ-JTQLQIEISA-N 209.289 2.777 0 30 BFAC CC(C)(O)c1cc(Br)cs1 215843237 QDAZXZVTCBJGHY-UHFFFAOYSA-N 221.119 2.738 0 30 BFAC CN(C)c1cc(Cl)c(Br)cn1 238309277 DRHIJXJMPHYONC-UHFFFAOYSA-N 235.512 2.564 0 30 BFAC CCCOc1ccc(SCC(=O)O)cc1 3128937 PJMHUMXPRDVKML-UHFFFAOYSA-N 226.297 2.652 0 30 BFAC CCOC(=O)c1ccccc1NC(C)C 36804357 HQEAQFCNAWECCG-UHFFFAOYSA-N 207.273 2.684 0 30 BFAC in-vitro C[C@H](ON)c1cccc(C(F)(F)F)c1 38996963 FZLKWLBPQBWLCU-LURJTMIESA-N 205.179 2.657 0 30 BFAC Cc1cc(C2(N)CC2)ccc1Br 71532736 ZURBQOZKXQLLOL-UHFFFAOYSA-N 226.117 2.705 0 30 BFAC c1ccc(CN2CCC(c3c[nH]cn3)CC2)cc1 95934682 KGZMQJXQJKJWOM-UHFFFAOYSA-N 241.338 2.789 0 30 BFAC Cc1cccc(C)c1NC(=O)[C@@H](C)N1CCCC1 66314 MGBIINXEYXQNSC-CYBMUJFWSA-N 246.354 2.726 0 30 BFAC COC(=O)c1cc(-c2ccccc2)oc1OC 21988542 ZMGCCVJNWKVLMW-UHFFFAOYSA-N 232.235 2.742 0 30 BFAC Cc1cccc(N)c1C(=O)c1ccccc1 39202359 ZKUPQLDSYHOFTE-UHFFFAOYSA-N 211.264 2.808 0 30 BFAC in-vitro O=C(O)[C@H]1CC[C@@H](Cc2ccccc2)C1 2265383678 OGRRXILDCADFLB-RYUDHWBXSA-N 204.269 2.730 0 30 BFAC COc1ccc2[nH]cc(C[C@H](C)N(C)C)c2c1 1852962 WDKDEBAFCKHQPF-JTQLQIEISA-N 232.327 2.669 0 30 BFAC COc1ccc2c(c1)CCN[C@@H]2C(C)C 11598201 NUJWYCUNDWENRN-CYBMUJFWSA-N 205.301 2.538 0 30 BFAC CCCCCOC(=O)COc1ccccc1 33606466 ALEKBMQVKFWMOR-UHFFFAOYSA-N 222.284 2.799 0 30 BFAC CC[C@@H](C(C)=O)c1ccc(OC)c(OC)c1 95932081 SOJNQJRJHNNHHG-NSHDSACASA-N 222.284 2.786 0 30 BFAC N[C@@H](COCc1ccccc1)c1ccccc1 1613186 ZMNPFYANVKDFQC-HNNXBMFYSA-N 227.307 2.903 0 30 BFAC in-vitro CCCC(=O)O[C@H](CCC)C(C)(C)CO 33609028 WQVVAFJBEFSECF-SNVBAGLBSA-N 216.321 2.517 0 30 BFAC NCc1cc(Br)cc(Cl)c1F 75844819 MBPKMIZUQCRGJT-UHFFFAOYSA-N 238.487 2.700 0 30 BFAC O[C@@H]1CCCC[C@H]1O[C@@H]1CCCC[C@H]1F 1535543696 OYSGJECOTLVDRJ-DDHJBXDOSA-N 216.296 2.587 0 30 BFAC CC(C)COC(=O)CCc1ccccc1 31391487 NIKMBMUTZWKICN-UHFFFAOYSA-N 206.285 2.818 0 30 BFAC CCCCC[C@@H](CCCOC(C)=O)OC(C)=O 95619616 ZCDPXYMKJQTCSP-ZDUSSCGKSA-N 244.331 2.842 0 30 BFAC endogenous,in-man CCC(O)(CC)C[C@](C)(O)c1ccc(F)cc1 2016295 DEKTTZLLHCKGEN-ZDUSSCGKSA-N 240.318 2.974 0 30 BFAC Cc1ccccc1[C@H]1NCCc2cc(O)ccc21 3731737 GHGIFQVAINWVNG-MRXNPFEDSA-N 239.318 2.936 0 30 BFAC CCOC(=O)c1oc(CC2CCCC2)nc1C 88831961 YCMMHCCXFRHQPR-UHFFFAOYSA-N 237.299 2.892 0 30 BFAC in-vitro CCOC(=O)CCc1ccc(F)cc1Cl 95935248 KMWWHGUCVBDFFI-UHFFFAOYSA-N 230.666 2.975 0 30 BFAC Nc1cn(Cc2ccccc2)nc1-c1ccco1 135733242 PYGVYPKRXVNJOI-UHFFFAOYSA-N 239.278 2.774 0 30 BFAC Cc1cc(C[C@@H]2CCCC[C@H]2N)ccc1N 33609112 CRHCRZNTDDWSCP-GXTWGEPZSA-N 218.344 2.637 0 30 BFAC N[C@]1(C(F)(F)F)CCCc2ccccc21 82670936 JMRLPVTXGZFDSA-SNVBAGLBSA-N 215.218 2.739 0 30 BFAC FC(F)(F)Cc1cncc(Br)c1 95764082 KRXSLYRUQRHQKT-UHFFFAOYSA-N 240.022 2.949 0 30 BFAC CC(C)(C)OC(=O)n1cc2ccc(O)cc2n1 253496150 LLQAMEPFISRHEW-UHFFFAOYSA-N 234.255 2.525 0 30 BFAC Cc1cccc(-c2ncc(CN)s2)c1 22864251 LDEDOWTXNCPCKX-UHFFFAOYSA-N 204.298 2.577 0 30 BFAC Cc1cc(Br)ccc1[C@@H](C)N 82533918 GMCHYPOMQPPOJT-SSDOTTSWSA-N 214.106 2.777 0 30 BFAC Nc1nc(-c2cc(Cl)ccc2Cl)no1 723887610 OJLFGJOWGSNFGS-UHFFFAOYSA-N 230.054 2.626 0 30 BFAC CC(=S)NCCc1c[nH]c2ccccc12 2030928 MBVAMHHFBKQAJE-UHFFFAOYSA-N 218.325 2.647 0 30 BFAC Fc1cc(C2CCNCC2)cc(F)c1F 38539139 HFKWRARNTZQLPC-UHFFFAOYSA-N 215.218 2.571 0 30 BFAC CC(C)(C)c1nsc(Br)n1 83669848 JVCPLQKIFFDBMY-UHFFFAOYSA-N 221.123 2.598 0 30 BFAC CC(C)Nc1cc(Cl)nc(Cl)n1 91363912 GDZSXYVHBZZUHQ-UHFFFAOYSA-N 206.076 2.604 0 30 BFAC in-vitro Cc1ccc([S@@]2(=O)=N[C@@H](C(C)C)CO2)cc1 100104548 QCNBRUOJSNBOIE-WBMJQRKESA-N 239.340 2.792 0 30 BFAC C[C@]1(c2cnc(Br)s2)CCOC1 258871874 MTGJOKGDWOAPHN-QMMMGPOBSA-N 248.145 2.584 0 30 BFAC Nc1noc(Cc2c(Cl)cccc2Cl)n1 115221 DXAYHBRZHFYCBA-UHFFFAOYSA-N 244.081 2.549 0 30 BFAC CC[C@H](C)Nc1ncnc2sccc12 116003 ARMNWWVIAVOYNY-ZETCQYMHSA-N 207.302 2.902 0 30 BFAC CCN1CCCC[C@H]1c1[nH]nc2c1CCCCN2 3698324 PPFMAQHPXJMPBG-LBPRGKRZSA-N 248.374 2.705 0 30 BFAC CC(=O)c1cc(F)ccc1OC(F)F 47203341 YCGBQBLOOYNGKN-UHFFFAOYSA-N 204.147 2.630 0 30 BFAC CC1(C)C=Cc2c(cc(O)c3ccc(=O)oc23)O1 14447760 AFLYNAJQYYSXOS-UHFFFAOYSA-N 244.246 2.683 0 30 BFAC biogenic,in-vitro CCc1oc2ccccc2c1CC(=O)O 61877190 ZSMYNXJVEWZTLM-UHFFFAOYSA-N 204.225 2.622 0 30 BFAC in-vitro CCN(CC)c1ncnc2ccsc12 116614 OHPVHZKUXSWMQB-UHFFFAOYSA-N 207.302 2.538 0 30 BFAC COCc1ccc(SC(=O)N(C)C)cc1 71790495 KJTGAPXRPRTQFY-UHFFFAOYSA-N 225.313 2.607 0 30 BFAC in-vitro O=C1C(Cl)=Nc2ccc(Br)cc21 28462753 YCAMVZHSSWWHMB-UHFFFAOYSA-N 244.475 2.914 0 30 BFAC CC(C)C(=O)O[C@@H]1C[C@H]2C[C@@H]1[C@@H]1C=CC[C@H]12 31352044 QNEXACLQEWOALO-NZEXEKPDSA-N 220.312 2.786 0 30 BFAC Cc1ccc2c(c1)[C@@H](NC1CC1)CCCO2 35652641 YUJOLZUOQJKKMT-ZDUSSCGKSA-N 217.312 2.961 0 30 BFAC OCc1cc(Br)cc(F)c1Cl 217106248 NDYSQCRAGIVSET-UHFFFAOYSA-N 239.471 2.734 0 30 BFAC O[C@H](c1cc(Cl)nc(Cl)c1)C(F)(F)F 1536092086 QMLZPLUGIKOCOA-ZCFIWIBFSA-N 246.015 2.984 0 30 BFAC Cc1cnc(NC(=O)Nc2ccccc2)c(C)n1 93257 WLGJZNDCVPNRJW-UHFFFAOYSA-N 242.282 2.737 0 30 BFAC OCc1ccc(Cc2cccs2)cc1 14989052 MJRUXWBVBNJBPQ-UHFFFAOYSA-N 204.294 2.831 0 30 BFAC CCCNCc1c(C)cc(O)c(C)c1C 39105585 MYSAQLLPIKEWDF-UHFFFAOYSA-N 207.317 2.817 0 30 BFAC Fc1cccc(F)c1CNCc1nccs1 40443950 KEZFXHKJVZKSCC-UHFFFAOYSA-N 240.278 2.711 0 30 BFAC CC[C@H](c1ccccc1)c1nccn1C 116372079 PMNLRWZXTMYBOV-GFCCVEGCSA-N 200.285 2.962 0 30 BFAC C[Si](C)(C)N1N=N[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]21 238528960 WMHDGAHLMMBTDA-QEYWKRMJSA-N 209.369 2.671 0 30 BFAC CC(C)(Cl)c1cc(Br)no1 2265383713 VUBWRUWOIWXKED-UHFFFAOYSA-N 224.485 2.911 0 30 BFAC CCc1ccc([C@H](O)[C@@H](C)NC(C)C)cc1 39102254 KLRBBLOVNQGRJO-BXUZGUMPSA-N 221.344 2.669 0 30 BFAC Clc1c(Br)ccc2c1OCO2 39240402 SBNRIUMWIAAIBL-UHFFFAOYSA-N 235.464 2.831 0 30 BFAC Cc1cccc(-n2ncc(N)c2C(C)C)c1 85634365 YVIPNJBNJBMMFS-UHFFFAOYSA-N 215.300 2.886 0 30 BFAC Cc1ccc(-n2cnc3cnccc32)cc1 95883847 VEOLLMFKOIOFQW-UHFFFAOYSA-N 209.252 2.729 0 30 BFAC in-vitro Cc1nn(C)cc1NC(=O)Nc1ccc(F)cc1 147665 GZDYOTCSJIWHGE-UHFFFAOYSA-N 248.261 2.512 0 30 BFAC COC(=O)c1cc2sc(Cl)cc2[nH]1 5135016 QETCAFYGBABJCO-UHFFFAOYSA-N 215.661 2.669 0 30 BFAC CCCCCC[C@@H](CCOC(C)=O)OC(C)=O 5820461 XUVKIVFZTRZJRP-ZDUSSCGKSA-N 244.331 2.842 0 30 BFAC CC(C)C[C@H](Cc1ccccc1)C(=O)O 34552097 OSPILOQOWQWUCH-GFCCVEGCSA-N 206.285 2.976 0 30 BFAC CCc1ccc(C(=O)c2ccncc2O)cc1 39102697 OZSDEAOWUNRZBW-UHFFFAOYSA-N 227.263 2.581 0 30 BFAC CC(C)(C(=O)O)c1ccc(F)c(Cl)c1 71519886 CNPYGHFTBRANDU-UHFFFAOYSA-N 216.639 2.841 0 30 BFAC Nc1ccc(F)c(OCc2ccccc2)c1 95616549 QTOBKEAXSOGASJ-UHFFFAOYSA-N 217.243 2.987 0 30 BFAC CC(C)(C)N1C(=O)[C@@]1(C)C1CCCCC1 96328791 LOSYMTFCDKEVRY-KWCCSABGSA-N 209.333 2.966 0 30 BFAC CC(C)(c1ccccc1)c1cc(N)on1 1535943257 FNQURMMDGAQCRK-UHFFFAOYSA-N 202.257 2.583 0 30 BFAC C=C(C[C@@H](CC(=O)O)C(=O)O)CC(C)(C)C 5351785 HGPJAQIBDADAEL-VIFPVBQESA-N 228.288 2.544 0 30 BFAC biogenic COC(=O)c1coc(Cc2ccccc2)c1 5701010 DGEHQARARXBTFY-UHFFFAOYSA-N 216.236 2.657 0 30 BFAC CC(=O)Nc1cc(Cl)c(C(=O)O)c(Cl)c1 44227126 YSYRUDQQBNITPK-UHFFFAOYSA-N 248.065 2.650 0 30 BFAC C/C(=C\Br)C(=O)OC(C)(C)C 137291977 BLZTUHDREVWFEC-AATRIKPKSA-N 221.094 2.627 0 30 BFAC COc1cc(C)cc([C@H]2C[C@H](C)CN2)c1 3704974 ACYDJPDBDQGWRP-GXFFZTMASA-N 205.301 2.674 0 30 BFAC C[C@@H]1CC[C@@]2(O1)C(C)(C)CCC[C@]2(C)O 6031050 LJOISVFAMDWVFA-KGYLQXTDSA-N 212.333 2.885 0 30 BFAC endogenous,in-man O=C(O)CCCCCC(=O)Nc1ccccc1 38788914 DTZWAOUERANOLX-UHFFFAOYSA-N 235.283 2.660 0 30 BFAC in-vitro O=S(=O)(O)C1c2ccccc2-c2ccccc21 39416237 OPHLBBMSSRICDS-UHFFFAOYSA-N 246.287 2.644 0 30 BFAC CC(=O)c1cc(OC(F)(F)F)ccc1F 75925132 DEGUQTHUEHFNAP-UHFFFAOYSA-N 222.137 2.927 0 30 BFAC Brc1cccc([C@H]2CCO2)c1 220703423 UDLDGMXHWQOQMB-SECBINFHSA-N 213.074 2.911 0 30 BFAC Cc1ccncc1NC(=O)c1ccccc1 22004832 CYXWVJRTKVAELQ-UHFFFAOYSA-N 212.252 2.642 0 30 BFAC COc1ccc(CN[C@@H](C)C2CC2)c(OC)c1 35136372 CJESOMPJGXVZRZ-JTQLQIEISA-N 235.327 2.592 0 30 BFAC in-vitro COc1cc(OC)c2c(Cl)nccc2c1 71482433 IUSBUEANOJAZAK-UHFFFAOYSA-N 223.659 2.905 0 30 BFAC CC(=O)c1cn2cc(Cl)cc(Cl)c2n1 87546368 WJBDBPXMEGLGKD-UHFFFAOYSA-N 229.066 2.844 0 30 BFAC CCOC(=O)C(CC)(CC)C(=O)OCC(C)C 138198037 ZXKOLWHKWLFXJH-UHFFFAOYSA-N 244.331 2.555 0 30 BFAC C/C=C/CC[C@@H](OC)C(=O)Oc1ccccc1 141811061 MQHNLOZGYFLKNB-ITDFMYJTSA-N 234.295 2.963 0 30 BFAC Cc1ccc(Cl)c2[nH]c(C(=O)O)cc12 238483109 PJCLCYWXTKSJCN-UHFFFAOYSA-N 209.632 2.828 0 30 BFAC CNC1([C@H](O)c2ccc(C)cc2)CCCC1 39110091 LNKVBEZIACBOQE-CYBMUJFWSA-N 219.328 2.561 0 30 BFAC O=C(Nc1ccccc1)N1CCCC1=S 39124835 HLJVUWZGVRKIHS-UHFFFAOYSA-N 220.297 2.642 0 30 BFAC Cc1cccnc1[C@@H](Cc1ccccc1)C(=O)O 128625936 PLWBFVNZPCJOIZ-CYBMUJFWSA-N 241.290 2.801 0 30 BFAC OC1(CCCCc2ccccc2)CCNCC1 33607283 QCBYJMVCSOPSMU-UHFFFAOYSA-N 233.355 2.514 0 30 BFAC O=C(O)c1ccc(O)cc1-c1ccccc1 71611138 IPXDGHZTUBSPSG-UHFFFAOYSA-N 214.220 2.757 0 30 BFAC C[C@@H]1C[C@]2(C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)OC1=O 256421667 ICZMJALAXFOIJH-BZEYXOHSSA-N 220.312 2.764 0 30 BFAC CSc1nnc(C=Cc2ccccc2)o1 2265233878 QOLJMFLTKXZKIA-UHFFFAOYSA-N 218.281 2.962 0 30 BFAC CC(C)C12COC(c3ccccc3)(OC1)OC2 31456566 SKHLJGUMKUMLFO-UHFFFAOYSA-N 234.295 2.516 0 30 BFAC c1ccc(NC[C@@H]2NCCc3ccccc32)cc1 43596120 APODFCDDRZHIBV-INIZCTEOSA-N 238.334 2.986 0 30 BFAC Cc1ccc(OC(=O)C(F)(F)F)cc1C 3100059 VZDBXQOEWSTLFJ-UHFFFAOYSA-N 218.174 2.771 0 30 BFAC biogenic CN(C)C=C1CCc2c([nH]c3ccccc23)C1=O 6637482 WQOMNKDELFYTQR-UHFFFAOYSA-N 240.306 2.742 0 30 BFAC biogenic CCC[C@H](O)[C@H](CC)C[C@@H](CC)CO 33637665 QDKYZXPQXKTGRB-UTUOFQBUSA-N 202.338 2.582 0 30 BFAC CCOC(=O)c1c(OCC)cc(C)nc1Cl 67175653 HALIGFSFGYBQTC-UHFFFAOYSA-N 243.690 2.619 0 30 BFAC Cc1ccc(N2C[C@H]3CC[C@H]2C3)cc1N 238853580 KGBHMPJBSUUZQH-QWRGUYRKSA-N 202.301 2.566 0 30 BFAC in-vitro CNC(=O)Sc1ccccc1Cl 79716 DQVAQPOMIQEAQS-UHFFFAOYSA-N 201.678 2.772 0 30 BFAC COc1ccc([C@H]2C[C@@H](C)CN2)cc1F 3704400 OWAXAHSJXNQNAW-LDYMZIIASA-N 209.264 2.505 0 30 BFAC CN(C)C(=O)c1c(Cl)cccc1Cl 5508889 ATDVTQPRNVNPGF-UHFFFAOYSA-N 218.083 2.695 0 30 BFAC CC(C)c1ccc(C[C@@H]2CCNC2)cc1 57937905 RRNIMSBTHHAONA-ZDUSSCGKSA-N 203.329 2.962 0 30 BFAC in-vitro CCCCNc1nc2cccnc2s1 4367096 CAISUURRTUXNQZ-UHFFFAOYSA-N 207.302 2.903 0 30 BFAC COC(C)(C)CCC[C@H](C)[C@@H]1CCC(=O)O1 6020544 BZWMNDPUJKKIEE-QWRGUYRKSA-N 228.332 2.923 0 30 BFAC O=C(O)[C@H](CC(F)(F)F)c1ccccc1 86350296 HEIQZQVZMGICPT-MRVPVSSYSA-N 218.174 2.807 0 30 BFAC O=C1CC2(CCCCC2)Oc2ncccc21 145256207 ZUNXZPHFHFSONM-UHFFFAOYSA-N 217.268 2.750 0 30 BFAC CNc1ccc(C(=O)c2ccccc2)cc1N 33605413 SFVWUAIFCISEEK-UHFFFAOYSA-N 226.279 2.542 0 30 BFAC O=C1S[C@H](CN2CCCC2)c2ccccc21 33877665 LIVXNBIALDRMGT-GFCCVEGCSA-N 233.336 2.711 0 30 BFAC C[C@@]1(O)Oc2cccnc2C[C@H]1c1ccccc1 39120822 GYDGIXSZQJHLKG-SWLSCSKDSA-N 241.290 2.509 0 30 BFAC CCOC(=O)c1sc(CC2CC2)nc1C 96034626 LPBNXCSRYAZUGI-UHFFFAOYSA-N 225.313 2.581 0 30 BFAC in-vitro COC(=O)c1cc2ccccc2cc1C 138973833 ZPARTRGQTCMYGT-UHFFFAOYSA-N 200.237 2.935 0 30 BFAC COc1cc(C)cc2sc(NC#N)nc12 45236831 OOTGPXDNLOIXAZ-UHFFFAOYSA-N 219.269 2.506 0 30 BFAC O=C1CC2(CCCC2)Oc2cc(O)ccc21 34463052 BWXZRLGTSDKAOP-UHFFFAOYSA-N 218.252 2.670 0 30 BFAC O=C1CCc2cc(C(F)(F)F)ccc2N1 62323038 UHMJEWCPJNUYBI-UHFFFAOYSA-N 215.174 2.590 0 30 BFAC Cc1ccc([C@H]2NCCc3cc(O)ccc32)s1 3702951 UYJMUJDUHKHZTK-AWEZNQCLSA-N 245.347 2.997 0 30 BFAC COc1c(C)cc(C)cc1[C@H]1C[C@H](C)CN1 3705018 MGFCKZHJFCDVDB-GXFFZTMASA-N 219.328 2.983 0 30 BFAC O=c1[nH]c(-c2ccc(O)cc2)cc2ccccc12 17129560 PAXSRTRJTOGLAV-UHFFFAOYSA-N 237.258 2.901 0 30 BFAC c1ccc(Cc2cn3ccccc3n2)cc1 26571620 BOYDQUIVNHEZFN-UHFFFAOYSA-N 208.264 2.925 0 30 BFAC in-vitro CC(C)(C(=O)O)c1ccc(Cl)s1 57492694 LUAKCTAPQHDWCA-UHFFFAOYSA-N 204.678 2.764 0 30 BFAC CC(C)(C)OC(=O)[C@H]1CNc2ccccc2C1 139170897 QZMVYMXMKOCSCX-LLVKDONJSA-N 233.311 2.613 0 30 BFAC CO[C@H](C)[C@H](F)CC(=O)c1ccccc1 198678132 UZTLCBWDWWFICN-MWLCHTKSSA-N 210.248 2.632 0 30 BFAC C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)C[C@H](O)[C@@H]12 898540 PDEJECFRCJOMEN-BFHYXJOUSA-N 248.322 2.522 0 30 BFAC biogenic CC(C)(C)C1CCC(C[C@@H](O)C(=O)O)CC1 702682992 YJTWPXYTJNVKRW-VQXHTEKXSA-N 228.332 2.675 0 30 BFAC C[S@@](=O)c1sc(Cl)c2c1C(=O)CCC2 4351318 PGSSJIDFZJTWLZ-AWEZNQCLSA-N 248.756 2.658 0 30 BFAC c1ccc2c(c1)OCCC[C@H]2NC1CC1 35652698 XPNQVYVMKPUWTP-GFCCVEGCSA-N 203.285 2.652 0 30 BFAC CC(C)(N)Cc1ccc2c(c1)CCCC2 57492121 MECRFGVWKVLGQP-UHFFFAOYSA-N 203.329 2.845 0 30 BFAC O=C(O)[C@@H](CC(F)F)c1ccccc1 72266620 PHHJOFMVWMGXNH-QMMMGPOBSA-N 200.184 2.510 0 30 BFAC COc1ccc([C@H]2CCNC2(C)C)cc1F 83446042 ADFBBMMNMXHTGG-SNVBAGLBSA-N 223.291 2.690 0 30 BFAC O=C(O)Cc1cc(Cl)cc(Br)c1 84576644 KPKHJMMYGGQPKN-UHFFFAOYSA-N 249.491 2.730 0 30 BFAC CN1CCc2cc(C(F)(F)F)ccc21 95934752 KULYGZWFJTYCFC-UHFFFAOYSA-N 201.191 2.698 0 30 BFAC CC1(C)CN(CC[C@@H]2CCCC2=O)CCS1 133380412 TVTNMVAKEWSKDL-NSHDSACASA-N 241.400 2.573 0 30 BFAC O=C(O)CCc1ccc2c(c1)[nH]c1ccncc12 259274586 FFZYKDATHLINEZ-UHFFFAOYSA-N 240.262 2.733 0 30 BFAC FC(F)(F)Oc1ccc(-c2cn[nH]c2)cc1 1240241808 CIIXAMTUKBKJKR-UHFFFAOYSA-N 228.173 2.975 0 30 BFAC CC(C)C1=CC=C(C(C)(C)C)C(=O)C1=O 39096507 HJLTVJJGWLAKRO-UHFFFAOYSA-N 206.285 2.693 0 30 BFAC OCc1nc2ccc(Br)cc2s1 75844631 JBLBHKPUSANPJP-UHFFFAOYSA-N 244.113 2.551 0 30 BFAC in-vitro Cc1csc2c(N3CCCCC3)ncnc12 82166 LXIDSKZPUDELPZ-UHFFFAOYSA-N 233.340 2.990 0 30 BFAC NCc1cnc(Cc2ccccc2Cl)s1 44267780 AHSPJOKJQNVPKD-UHFFFAOYSA-N 238.743 2.846 0 30 BFAC Cc1nc(NO)cc2[nH]c3ccccc3c12 13514087 VWXMRYZUBOAGIS-UHFFFAOYSA-N 213.240 2.826 0 30 BFAC C[C@H](CN(C)C)Oc1nsc2ccccc12 38647021 RPTSTYWJKBQOIF-SECBINFHSA-N 236.340 2.625 0 30 BFAC C[C@H](O)CCN[C@H](C)c1ccccc1Cl 82993131 GDXOJKNKDADUND-VHSXEESVSA-N 227.735 2.762 0 30 BFAC FC(F)(F)CNc1nc(Cl)ncc1Cl 86621843 FVZFHCUEBRPKPV-UHFFFAOYSA-N 246.019 2.758 0 30 BFAC CCOC(=O)/C=C/c1ccc(F)cc1CC 43163823 XGKUHLFORIHHMD-SOFGYWHQSA-N 222.259 2.964 0 30 BFAC O=C(O)[C@H]1[C@H]2CC[C@@]1(c1ccc(F)cc1)C2 757543882 OOCBBOIXARWQNR-KDDOJWQBSA-N 220.243 2.578 0 30 BFAC C[C@H]1CN(c2cc(Cl)ccc2Cl)CCN1 54348262 QPINKUGIYQFWOL-QMMMGPOBSA-N 245.153 2.792 0 30 BFAC COc1ccc(Cl)c2cc(C(=O)O)[nH]c12 74003872 FPMNNFPNZOXDMG-UHFFFAOYSA-N 225.631 2.528 0 30 BFAC CC(C)Nc1ccc([C@H](C)C(=O)O)cc1 3601701 JPWJQNMYXIHCRT-VIFPVBQESA-N 207.273 2.695 0 30 BFAC CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)OCCO 6031098 JFKCVAZSEWPOIX-GRYCIOLGSA-N 244.331 2.593 0 30 BFAC endogenous,in-man Fc1ccc(-c2nnc(Br)o2)cc1 20281055 LKJHVNNBNLANJV-UHFFFAOYSA-N 243.035 2.638 0 30 BFAC CCN1CCCC[C@H]1Cc1cccc(O)c1 39102137 LHDGJCGZORIYSY-ZDUSSCGKSA-N 219.328 2.809 0 30 BFAC O=c1ccsn1Cc1ccc(Cl)cc1 39215181 PQIJDRCKMJCOFO-UHFFFAOYSA-N 225.700 2.612 0 30 BFAC CC[C@H](O)c1cc(Cl)cc2c1OCC2 123012695 MBAMPRVHYVNKDG-JTQLQIEISA-N 212.676 2.718 0 30 BFAC Cc1cc(F)cc2c1OCC[C@@H]2NC(C)C 129262243 QKNACSBRCASRJD-LBPRGKRZSA-N 223.291 2.956 0 30 BFAC Cc1c[nH]c(SC(=O)c2ccccc2)n1 39110004 YIRPFWKAYLKHSS-UHFFFAOYSA-N 218.281 2.651 0 30 BFAC CN(C(=O)c1cccs1)[C@H]1C[C@H]2C=C[C@H]1C2 100239649 VKFNIERQIFCMNR-DCAQKATOSA-N 233.336 2.785 0 30 BFAC CCN1C(C)=C(C)N(CC)C1=C(S)S 100264309 FGVLMHXQJFNHIU-UHFFFAOYSA-N 230.402 2.881 0 30 BFAC CCCCOc1cccc(/C=C/C(=O)O)c1O 135986031 CJSJEUGOFYDQOU-BQYQJAHWSA-N 236.267 2.669 0 30 BFAC c1ccc(CN2CC[C@H]3CCCO[C@H]3C2)cc1 306631257 NAONCAAJZIXQIV-CABCVRRESA-N 231.339 2.688 0 30 BFAC in-vitro CC(C)(C)OC(=O)N1CC=CC12CCC2 390822227 WXVRXFBFOUAZMD-UHFFFAOYSA-N 209.289 2.716 0 30 BFAC Cc1n[nH]c2cc(C(F)(F)F)nc(Cl)c12 690316914 ZYYWQWKKCPZIHN-UHFFFAOYSA-N 235.596 2.939 0 30 BFAC C[C@@H](NCC(C)(C)C)[C@@H]1COc2ccccc2O1 1843872 JPDSUSRTWKLSDJ-RISCZKNCSA-N 249.354 2.851 0 30 BFAC CNC(=O)Oc1cc(C)cc(C)c1Cl 2038308 LPFGSLDIMLAMKS-UHFFFAOYSA-N 213.664 2.675 0 30 BFAC Cc1ccc2[nH]cc(Br)c2n1 16678036 NJQXOQOTBYHDTK-UHFFFAOYSA-N 211.062 2.634 0 30 BFAC in-vitro CS[C@H]1C(=O)Nc2ccc3ncsc3c21 100024657 CDDAPLGLEUDMCX-SECBINFHSA-N 236.321 2.653 0 30 BFAC in-vitro O=C(O)[C@@H]1COc2c(Cl)cc(Cl)cc2C1 21951185 VKQVUBHOFAGVRV-LURJTMIESA-N 247.077 2.629 0 30 BFAC Nc1ccc(N2CCCCC2)c2cccnc12 35340415 OROSWPFBXXIKGL-UHFFFAOYSA-N 227.311 2.807 0 30 BFAC in-vitro CC(=O)c1cc(C(C)(C)C)cc(C(C)=O)n1 35653794 DLGFXGKOQJVJDD-UHFFFAOYSA-N 219.284 2.784 0 30 BFAC N[C@@H](c1cc(Cl)nc(Cl)c1)C(F)(F)F 238629219 HJHOOFVIJVDMHV-LURJTMIESA-N 245.031 2.951 0 30 BFAC Cc1ccc(S(=O)(=O)c2cccs2)cc1 1574251 WRVXLDHHLTUSJG-UHFFFAOYSA-N 238.333 2.889 0 30 BFAC CCOC(=O)N1CSc2ccccc21 2034231 YDSIWJMQLZGKPN-UHFFFAOYSA-N 209.270 2.713 0 30 BFAC Nc1cccc(-c2ccc3c(c2)CCO3)c1 6756476 CYZANXWYHUKUKO-UHFFFAOYSA-N 211.264 2.871 0 30 BFAC COc1ccc(-c2n[nH]c3ccc(N)cc23)cc1 31843641 CKJCACIVGSFXTI-UHFFFAOYSA-N 239.278 2.821 0 30 BFAC CC(C)(C)Oc1ncc(F)c(OC(C)(C)C)n1 196177164 YYEGXNAVFHRDLI-UHFFFAOYSA-N 242.294 2.970 0 30 BFAC CCOC(=O)C=C1CCCc2occc21 8762013 CYUKMZHHWKFKQB-UHFFFAOYSA-N 206.241 2.562 0 30 BFAC CCc1nn2cc(C(C)(C)C)nc2s1 91916 WKZXBIPDYYJOET-UHFFFAOYSA-N 209.318 2.651 0 30 BFAC O=CN1[C@H]2CCCC[C@H]2[C@H]2CCCC[C@H]21 34064712 OZGORQAYQOJQGC-MPZDIEGVSA-N 207.317 2.576 0 30 BFAC NCCCCCCC/C=C/CCC(=O)O 38632689 HYAXMGTZOLISRL-GQCTYLIASA-N 213.321 2.707 0 30 BFAC CC[C@H]1CCN[C@@H]1c1cccc(OC)c1 3733178 CHPRIVJCGPOHLG-GWCFXTLKSA-N 205.301 2.756 0 30 BFAC O=Cc1ccc(OC(F)F)c(OC2CC2)c1 34519461 QQIQCVYBOCMZBR-UHFFFAOYSA-N 228.194 2.642 0 30 BFAC CSC(=O)S[C@@H]1C2C[C@@H]3C1[C@@H]3C2 100105062 DITWWRQNYIJUJD-ZMFZBRJOSA-N 200.328 2.857 0 30 BFAC CC(=O)C12CC(c3ccccc3)(C1)[C@@H]2F 2265384721 PBWMPDBKWQBXLR-PNESKVBLSA-N 204.244 2.645 0 30 BFAC c1ccc2c(c1)c1c3n2CCC[C@H]3NCC1 34767290 LDRRAHYWDNFTQD-GFCCVEGCSA-N 212.296 2.622 0 30 BFAC CC(C)(CCC(C)(C)CC(=O)O)CC(=O)O 140046066 XCPSWBNEOGUWCT-UHFFFAOYSA-N 230.304 2.768 0 30 BFAC Nc1cc(C(F)(F)F)cnc1C(F)(F)F 238617176 QTTRAAQBVZUACB-UHFFFAOYSA-N 230.111 2.701 0 30 BFAC CN(C)[C@@H]1CCc2[nH]c3ccccc3c2C1 2010690 WZXJEMXDECWINY-SNVBAGLBSA-N 214.312 2.587 0 30 BFAC in-man C/C=C/C=C/C(=O)OCCc1ccccc1 5132798 PPZYQYDDSJRELL-XPQLPGEHSA-N 216.280 2.905 0 30 BFAC COc1ccc(CN[C@H](C)C2CC2)c(OC)c1 35136374 CJESOMPJGXVZRZ-SNVBAGLBSA-N 235.327 2.592 0 30 BFAC in-vitro Clc1ccc2cnc(Br)n2c1 213929452 PMVMQNNDPVEJGG-UHFFFAOYSA-N 231.480 2.750 0 30 BFAC COC(C)(C)CCC[C@@H](C)[C@@H]1CCC(=O)O1 6036338 BZWMNDPUJKKIEE-MNOVXSKESA-N 228.332 2.923 0 30 BFAC COc1cccc2c1CC[C@@H](N(C)C)[C@@H]2C 34143598 ZCNTYKAJYPYMNL-ZWNOBZJWSA-N 219.328 2.675 0 30 BFAC CCOc1ccc(-c2ccncc2)c(N)c1 39100109 HEPBFEIYGFBHPK-UHFFFAOYSA-N 214.268 2.730 0 30 BFAC C[C@H](O)c1cc(Br)cc2ncoc12 41652826 YUXPAHWQIBSTSX-YFKPBYRVSA-N 242.072 2.644 0 30 BFAC in-vitro [N-]=[N+]=NC[C@H](CCl)C(=O)Oc1ccccc1 105428942 DRJVYWBDFUXWIZ-QMMMGPOBSA-N 239.662 2.757 0 30 BFAC N[C@@H]1CCCc2c1ccc(F)c2Br 238597929 DMOKHKDSZZLMSZ-SECBINFHSA-N 244.107 2.924 0 30 BFAC COc1ccc(C(=O)c2ccccc2O)cc1 5733270 MPOIUZCYWIPYNC-UHFFFAOYSA-N 228.247 2.632 0 30 BFAC CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@H]2N 89064393 HVXVGAKDEJZVIE-GFCCVEGCSA-N 248.326 2.980 0 30 BFAC in-vitro N[C@H]1CSc2cc(Br)ccc21 203933207 OEZKYWIBNFCNNQ-ZETCQYMHSA-N 230.130 2.555 0 30 BFAC O=C(Nc1ccc(F)cc1)OCc1ccncc1 13208876 LOWXZIMNVQRJIQ-UHFFFAOYSA-N 246.241 2.969 0 30 BFAC CS[C@@H]1[C@H]2CC[C@@](C)([C@@H]1O)C2(C)C 38251824 FTSZDJKYAIMZNI-CDLYGTGVSA-N 200.347 2.535 0 30 BFAC c1ccc(C[C@@H]2C[C@H]3CCC[C@H]3N2)cc1 585656241 SCTJHAJMASSEJP-MGPQQGTHSA-N 201.313 2.760 0 30 BFAC COc1cc(-c2csc(N)n2)ccc1F 39150220 ZHDRMNVYDURYMN-UHFFFAOYSA-N 224.260 2.540 0 30 BFAC CCCCCC(=O)Oc1ccc(C=O)cc1 80020558 DBFNEZMYRPLRIP-UHFFFAOYSA-N 220.268 2.985 0 30 BFAC Cc1ccnc(Nc2ccc(C)c(C(=O)O)c2)n1 104342719 HOBVGGQIDKVBBP-UHFFFAOYSA-N 243.266 2.535 0 30 BFAC Brc1ccccc1[C@H]1CCO1 220703729 RIYKDHUJZQLYHP-SECBINFHSA-N 213.074 2.911 0 30 BFAC N[C@@H]1C=C[C@H]2C[C@@H]1Cc1cc(Cl)ccc12 6094042 VKTQCWAVXMZNGQ-IYYTYJHQSA-N 219.715 2.883 0 30 BFAC CC(C)NC(=O)[C@]1(C(C)C)CCC[C@H]1C 6030905 UURITHKBXNEWEF-YPMHNXCESA-N 211.349 2.973 0 30 BFAC CCCCC[C@@H](OC(C)=O)[C@@H](C)COC(C)=O 5821013 TVGYJOZXWMFEJX-GXFFZTMASA-N 244.331 2.698 0 30 BFAC COC(=O)[C@@H](C)CCCc1ccccc1 21996001 BTPJDSBFSJSKNM-NSHDSACASA-N 206.285 2.818 0 30 BFAC CCc1c[nH]c2ncc(Br)cc12 306930191 BUDFNLMBEZTNQK-UHFFFAOYSA-N 225.089 2.888 0 30 BFAC NCCc1ccc(OC(F)=C(F)F)cc1 31176431 IEBJPQALMUMJNN-UHFFFAOYSA-N 217.190 2.602 0 30 BFAC O=C(O)Cc1cc(Cl)sc1Cl 142206367 JMZXUBICVRRNPV-UHFFFAOYSA-N 211.069 2.682 0 30 BFAC O=C(c1ccc(-n2cccn2)cc1)C(F)(F)F 200163551 KJPGYXUDFJOREI-UHFFFAOYSA-N 240.184 2.617 0 30 BFAC O=C(OCc1ccccc1)N1CC[C@H]2C[C@H]2C1 306732152 HADJFVKEALYXRG-STQMWFEESA-N 231.295 2.665 0 30 BFAC Cc1cc(Br)c(F)nc1C 685945669 RFBMMMSGQNTSQS-UHFFFAOYSA-N 204.042 2.600 0 30 BFAC NCCCCc1nc2ccccc2s1 45236669 UXKMCSVXKKHXCX-UHFFFAOYSA-N 206.314 2.578 0 30 BFAC Fc1cnc(Cl)nc1OCc1ccccc1 85754672 PUDYTJUESWMUAJ-UHFFFAOYSA-N 238.649 2.848 0 30 BFAC N[C@@H](CC1CCCC1)[C@@H]1COc2ccccc2O1 87858997 LMRBOUFAOSVJNQ-WFASDCNBSA-N 247.338 2.734 0 30 BFAC in-vitro C[C@H](N)c1cc(F)cc(C(F)(F)F)c1 95683463 CYBTYBCFSPUKPL-YFKPBYRVSA-N 207.170 2.864 0 30 BFAC Cc1ccc(Br)c2c(=O)cc[nH]c12 37369350 WLSICNFSSABAFV-UHFFFAOYSA-N 238.084 2.599 0 30 BFAC O=C(O)c1ccc(C(F)F)cc1Cl 107267887 RLVUDKTVDCDWFX-UHFFFAOYSA-N 206.575 2.976 0 30 BFAC CC1(C)[C@H](C(=O)O)[C@]12C=Cc1ccccc12 5765339 RXTAQAPVUFGHOU-SMDDNHRTSA-N 214.264 2.692 0 30 BFAC C[C@@H]1CC[C@H](N)[C@@H](OCc2ccccc2)C1 220176236 UGYBEWNJUUMWOL-XBFCOCLRSA-N 219.328 2.719 0 30 BFAC O=C(ON=C1CCCc2ccccc21)C1CC1 263627179 YWOVITDCRASAHU-UHFFFAOYSA-N 229.279 2.680 0 30 BFAC CC1(C)CC[C@@]2(C[C@@H]2CN)c2ccccc21 54588104 GHRYAWYYEOTUMH-ABAIWWIYSA-N 215.340 2.974 0 30 BFAC in-vitro COc1cnc(Br)c(Cl)c1 238390089 ATTJZUGOZYMENP-UHFFFAOYSA-N 222.469 2.506 0 30 BFAC N[C@H](c1cn2cc(Cl)ccc2n1)C(F)(F)F 1536113148 AVXDXWOIUJNWQE-MRVPVSSYSA-N 249.623 2.550 0 30 BFAC O=C(Nc1ccccc1)O[C@H]1CCSC1 142063 JJGVKJZQRYHNDF-JTQLQIEISA-N 223.297 2.741 0 30 BFAC Nc1nocc1-c1ccc(Br)cc1 612612 BKBOFWOEZSVZBW-UHFFFAOYSA-N 239.072 2.686 0 30 BFAC CC(C)(N)Cc1c[nH]c2ccc(F)cc12 34213646 MYHYFHWZQFMYKO-UHFFFAOYSA-N 206.264 2.587 0 30 BFAC OCc1ncccc1-c1ccc(Cl)cc1 36473676 NSNAKZYQYAUNRZ-UHFFFAOYSA-N 219.671 2.894 0 30 BFAC S=C(Cc1ccccc1)N1CCCC1 39124874 KWDQKASMLNFOEL-UHFFFAOYSA-N 205.326 2.652 0 30 BFAC N[C@H](CNc1ccccc1)Cc1ccccc1 40397816 UEPNHSRXHMEFDU-AWEZNQCLSA-N 226.323 2.669 0 30 BFAC CC(C)(C)OC(=O)Nc1cccc2c1CNCC2 87521311 ZURNMIXARKIACI-UHFFFAOYSA-N 248.326 2.679 0 30 BFAC CC1(C)[C@H]2CC[C@H](/C=C(\C#N)C(=O)O)[C@H]1C2 256083009 FVXWDDLIMBRDJT-IFFYUKQOSA-N 219.284 2.593 0 30 BFAC CCc1cnc2c([C@H]3CCNC3)cccc2c1 39102631 IVTAEFOAYHSALV-ZDUSSCGKSA-N 226.323 2.874 0 30 BFAC O[C@@H]1CCC[C@@H](n2ncc3ccccc32)C1 86603046 QFUAWLFBGRZCGR-VXGBXAGGSA-N 216.284 2.512 0 30 BFAC C1=C[C@@H](n2cnc3ccccc32)OCC1 95923168 QGTCNVJGIZRKGF-LBPRGKRZSA-N 200.241 2.511 0 30 BFAC Cc1cccc(-c2noc(-c3ccno3)n2)c1 114290 SNISZRDYRNNZNH-UHFFFAOYSA-N 227.223 2.700 0 30 BFAC O=C1c2cccc3cccc(c23)[C@@]12OCCS2 164475 SNNYRKDSKXLDAI-AWEZNQCLSA-N 242.299 2.952 0 30 BFAC CCCCc1sc(N)c(C(=O)OC)c1C 39111018 AVSZIFBLLZAXEH-UHFFFAOYSA-N 227.329 2.768 0 30 BFAC Cc1c(CN)noc1-c1ccc(Cl)cc1 87546558 YAHXNQFZMJFVLQ-UHFFFAOYSA-N 222.675 2.762 0 30 BFAC CC(C)CNc1cc(Cl)nc(Cl)n1 91363909 YLLIJVZCSFSEFW-UHFFFAOYSA-N 220.103 2.851 0 30 BFAC CC(C)(C)OC(=O)Nc1ccc2c(c1)OCO2 176087 TYFVHGAGTYKGHD-UHFFFAOYSA-N 237.255 2.762 0 30 BFAC CCNCc1cccc(-c2ccncc2)c1 40231775 OOSKAQGIOQIVAM-UHFFFAOYSA-N 212.296 2.858 0 30 BFAC in-vitro CCOC(=O)c1ccc(F)c(F)c1Cl 95093424 XXZSZRJZNNJKFL-UHFFFAOYSA-N 220.602 2.795 0 30 BFAC CCOC(=O)/C=C/C=C/c1ccccc1 22010328 NLKBBWBCWHTRAJ-JMQWPVDRSA-N 202.253 2.819 0 30 BFAC c1ccc2cc([C@]34CNC[C@@H]3C4)ccc2c1 101168042 HKHCSWPSUSWGLI-GJZGRUSLSA-N 209.292 2.701 0 30 BFAC in-vivo Cc1cc(Cl)ccc1O[C@H](C)C(=O)N(C)C 6070136 OKCMWDCQCIAGAQ-SECBINFHSA-N 241.718 2.504 0 30 BFAC O=C(O)C1(c2ccc(Br)s2)CC1 71561424 ANIKZQOJWQKEAV-UHFFFAOYSA-N 247.113 2.627 0 30 BFAC CSC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 307150840 UUOXGEUZOOFDAS-SNVBAGLBSA-N 245.388 2.997 0 30 BFAC COC(=O)c1c(-c2ccc(F)cc2)noc1C 47747561 JTXOFNWDTGMOHG-UHFFFAOYSA-N 235.214 2.576 0 30 BFAC C[C@H](C(=O)O)c1cc(Br)ccc1F 83256055 CJHSIUMIQJTQAC-YFKPBYRVSA-N 247.063 2.776 0 30 BFAC CC(C)(C)[C@H]1CCc2nc(C(=O)O)sc2C1 86518041 KTAPTNLGBNQNNY-ZETCQYMHSA-N 239.340 2.992 0 30 BFAC OCc1ccc(-c2ccc3c(c2)OCCO3)cc1 90727843 UNKQAGUNIXLHRM-UHFFFAOYSA-N 242.274 2.617 0 30 BFAC CCCCCO[C@H]1CC[C@@H](C(=O)OC)CC1 1224662073 WTTASQPZGQYWKV-TXEJJXNPSA-N 228.332 2.925 0 30 BFAC c1ccc2c(CN[C@H]3CCCNC3)cccc2c1 52060859 IFAAZGLVJDLQDT-HNNXBMFYSA-N 240.350 2.681 0 30 BFAC C[C@H](N)c1csc(Br)c1 83285817 RLFXHTLBJJTECS-BYPYZUCNSA-N 206.108 2.530 0 30 BFAC C[C@@H](N)c1cc(F)cc(C(F)(F)F)c1 95666598 CYBTYBCFSPUKPL-RXMQYKEDSA-N 207.170 2.864 0 30 BFAC NCCc1nc2cc(C(F)(F)F)ccc2s1 4219225 ORMPPQIXDBKVSI-UHFFFAOYSA-N 246.257 2.816 0 30 BFAC Cc1cc(C)c(C(=O)O)c(Br)c1 138346906 CAOGPVXZIHBSAD-UHFFFAOYSA-N 229.073 2.764 0 30 BFAC COC(=O)c1cc(Cl)c(C(F)(F)F)cn1 238357205 CYCORCQPMWSVHB-UHFFFAOYSA-N 239.580 2.540 0 30 BFAC Cc1nc(Cl)cc(OOC(C)(C)C)n1 238790273 BBGPBSSIZPCGEI-UHFFFAOYSA-N 216.668 2.547 0 30 BFAC CS[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 307250629 PSYBTPUMOBCKDV-SECBINFHSA-N 231.361 2.749 0 30 BFAC Clc1cc(Cl)cc(O[C@H]2CCNC2)c1 34082126 IYISORFGLPXZEH-VIFPVBQESA-N 232.110 2.734 0 30 BFAC O=C(NC1CCCC1)Oc1ccccc1 39291060 QQUHFUIRBALNSV-UHFFFAOYSA-N 205.257 2.718 0 30 BFAC CCC[C@@H]1CCN(C(=O)OC(C)(C)C)CC1=O 306294101 ALIXNVZRFRJNQI-SNVBAGLBSA-N 241.331 2.613 0 30 BFAC O=C1CCC2(CC2)c2cc(F)cc(F)c21 757188134 MLRCHXIKQFBWFY-UHFFFAOYSA-N 208.207 2.973 0 30 BFAC NCCc1ccc(O)cc1-c1ccccc1 2018907 JMODMPREATUHFF-UHFFFAOYSA-N 213.280 2.560 0 30 BFAC O[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 498036759 VVTVTUYBYQMEMK-CZMCAQCFSA-N 216.202 2.944 0 30 BFAC Cc1ccc(Cl)c(Cl)c1NC1=NCCN1 6070735 WFHZXANBNBXYNF-UHFFFAOYSA-N 244.125 2.673 0 30 BFAC CCN(CC)c1cc(OC)ccc1OC 39647917 GDIAEVRAHCYWGJ-UHFFFAOYSA-N 209.289 2.550 0 30 BFAC CCOC(=O)/C(F)=C(\F)c1ccccc1 96336442 FPAYLDCBPXQZNU-MDZDMXLPSA-N 212.195 2.857 0 30 BFAC CCCCC[C@@H](OC(C)=O)[C@H]1CCCO1 5821026 ZCAFBBZXLGOTRK-VXGBXAGGSA-N 214.305 2.677 0 30 BFAC O=C(O)[C@H]1CC[C@H](Cc2ccccc2)C1 2265383676 OGRRXILDCADFLB-NEPJUHHUSA-N 204.269 2.730 0 30 BFAC Clc1cccc(Nc2nnns2)c1Cl 118240 JCQVHBHFEAIBEK-UHFFFAOYSA-N 247.110 2.984 0 30 BFAC CCOC(=O)[C@@H](CC)Cc1ccccc1 1849924 QDCUBAFTOOPBFR-LBPRGKRZSA-N 206.285 2.818 0 30 BFAC endogenous,in-man COc1c(Cl)ccc(Cl)c1CC(=O)O 2033086 ZXWITGPTJLSCTQ-UHFFFAOYSA-N 235.066 2.629 0 30 BFAC CC[C@H]1CCN[C@H]1c1cccc(OC)c1 3733176 CHPRIVJCGPOHLG-GXFFZTMASA-N 205.301 2.756 0 30 BFAC CC1=CC[C@H]([C@@H](C)CP(=O)(O)O)CC1 5767122 QBOXAKWKMIZAPC-UWVGGRQHSA-N 218.233 2.547 0 30 BFAC CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OCC(=O)O 12437243 CILPHQCEVYJUDN-DCAQKATOSA-N 214.305 2.548 0 30 BFAC Clc1ccc2nc(C3CCNCC3)oc2c1 75869554 AJPLCLUOOIYQNA-UHFFFAOYSA-N 236.702 2.948 0 30 BFAC C[C@@H](ON)c1cccc(C(F)(F)F)c1 136695175 FZLKWLBPQBWLCU-ZCFIWIBFSA-N 205.179 2.657 0 30 BFAC Oc1cc(Br)cc(OC(F)F)c1 238727289 MDDCCEWPQJEAFR-UHFFFAOYSA-N 239.015 2.756 0 30 BFAC CCOC(=O)NC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 2265381545 ZGFSPPHSPDKNMB-ORZCXNSNSA-N 223.316 2.557 0 30 BFAC CCc1ccnc(NC(=O)c2ccccc2)c1 151164 PBTUIOZXBNWHSW-UHFFFAOYSA-N 226.279 2.896 0 30 BFAC CNC(=O)N(O)c1ccc(Cl)c(Cl)c1 5700355 BDEVAORUDIRFGE-UHFFFAOYSA-N 235.070 2.528 0 30 BFAC C[C@@H]1C[C@](C)(O)C[C@@H](c2ccccc2)O1 33607669 GTDWBOZGGBDJGL-WXHSDQCUSA-N 206.285 2.678 0 30 BFAC Cc1cc(C[C@@H]2CCCC[C@@H]2N)ccc1N 33609109 CRHCRZNTDDWSCP-JSGCOSHPSA-N 218.344 2.637 0 30 BFAC Cc1sc(N)nc1-c1c[nH]c2ncccc12 36894201 RAIOGCMRVIFDFU-UHFFFAOYSA-N 230.296 2.577 0 30 BFAC in-vitro CCc1coc(-c2cccc(OC)c2)n1 39100899 KSQDVAUYTZTEHS-UHFFFAOYSA-N 203.241 2.913 0 30 BFAC OCc1ccc(-c2cc(F)ccc2F)nc1 39927644 HHOJGZNXFRCBJZ-UHFFFAOYSA-N 221.206 2.519 0 30 BFAC O=c1[nH]c2c(ccc3ccccc32)s1 45236918 NZROULYDNUMFJI-UHFFFAOYSA-N 201.250 2.743 0 30 BFAC Sc1nc2ccnc(Cl)c2s1 238673945 GILWDUFFSMKFGA-UHFFFAOYSA-N 202.691 2.633 0 30 BFAC Cc1cc(C)cc(C(=O)NC(C)(C)C)c1 496674 MTICOLRRIMAFKQ-UHFFFAOYSA-N 205.301 2.832 0 30 BFAC O=C(O)[C@H](C1CCCCCC1)N1CCCCC1 89564418 QOMTUBLLUQTHJI-ZDUSSCGKSA-N 239.359 2.896 0 30 BFAC CC(C)[C@@]1(C(=O)N(C)C)CCCC[C@@H]1C 33507042 ZNXSLRIBKWBICP-AAEUAGOBSA-N 211.349 2.927 0 30 BFAC C[C@@H](CN(C)C)Oc1nsc2ccccc12 38647020 RPTSTYWJKBQOIF-VIFPVBQESA-N 236.340 2.625 0 30 BFAC Brc1scnc1C1CC1 72192141 YILAOMWQUUZUKC-UHFFFAOYSA-N 204.092 2.783 0 30 BFAC CNc1cccc(Br)c1C 106877751 DYYFHZBNCJLKJW-UHFFFAOYSA-N 200.079 2.799 0 30 BFAC CCCCCCNCCNC(=O)OC(C)(C)C 134519178 ZAVUATCRHIDKAB-UHFFFAOYSA-N 244.379 2.681 0 30 BFAC COC(=O)[C@H]1CC[C@]2(CC1)CNc1ccccc12 2265362201 FJBYWRPJPLSKLJ-FUKZOUPISA-N 245.322 2.713 0 30 BFAC Cc1cc(C)cc(-c2nc(CN)cs2)c1 43393113 CDXMXINYJVOIPU-UHFFFAOYSA-N 218.325 2.886 0 30 BFAC CC(C)N(C(=S)/C=C(\Cl)C(=O)O)C(C)C 96347738 SNSSIVBXVAIUIF-YVMONPNESA-N 249.763 2.640 0 30 BFAC Cc1ccc2[nH]cnc2c1Br 98209810 ILQTVYOOUXZJHF-UHFFFAOYSA-N 211.062 2.634 0 30 BFAC in-vitro CCOC(=O)[C@H](CC=Cc1ccccc1)C(C)=O 2265269960 CWQNCOQPLICNMH-CQSZACIVSA-N 246.306 2.858 0 30 BFAC FC(F)(F)C1([C@H]2CCCNC2)CCC1 2265385591 OCNUKDLENXMAKD-QMMMGPOBSA-N 207.239 2.719 0 30 BFAC CCOc1cccc(C[C@H]2CCCNC2)c1 2555464 RHQBNQFPMVFZGK-CYBMUJFWSA-N 219.328 2.627 0 30 BFAC CC(C)CCCCCOC(=O)CCC(=O)O 38656989 QDHAMQZZWGKACC-UHFFFAOYSA-N 230.304 2.611 0 30 BFAC C[C@H](C(=O)O)c1cccc(Br)c1F 84567021 LQTCWMJGZSGOGG-YFKPBYRVSA-N 247.063 2.776 0 30 BFAC CC(C)CC[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 100087424 OAJJYJXUTGGAPX-FIQHERPVSA-N 208.301 2.946 0 30 BFAC CN1[C@H]2CC[C@H]1CC(C(=O)c1ccc(F)cc1)C2 100104413 SFKXMCNVYWUQCL-KBPBESRZSA-N 247.313 2.881 0 30 BFAC CC(C)COC(=O)Oc1ccc([N+](=O)[O-])cc1 136793049 WLRSOECSWRWZTI-UHFFFAOYSA-N 239.227 2.766 0 30 BFAC CC(C)(C)OC(=O)NCC[C@@H]1CCCC(=O)C1 307308121 DYUIGQBDMFJAJI-JTQLQIEISA-N 241.331 2.661 0 30 BFAC FC(F)(F)c1ccc2c(c1)COCCN2 79320230 QNXRTGXDIPWTLW-UHFFFAOYSA-N 217.190 2.648 0 30 BFAC Cc1ccc(N)c(Br)c1C 115007189 IERANHLXIVLSML-UHFFFAOYSA-N 200.079 2.648 0 30 BFAC O[C@@H](c1ccncc1)c1c[nH]c2ccccc12 161468 RKZFVUCRFYYPKI-AWEZNQCLSA-N 224.263 2.645 0 30 BFAC CC(=O)CSc1ccc(C(F)(F)F)cn1 1024983 WZOZPCJITYSPQU-UHFFFAOYSA-N 235.230 2.782 0 30 BFAC c1ccc2c(c1)CCCCN2CCN1CCCC1 2002957 UONKAYXKEKSURY-UHFFFAOYSA-N 244.382 2.925 0 30 BFAC COc1ccccc1OC(=O)c1ccco1 3162391 HNPMEKZRDNZDNF-UHFFFAOYSA-N 218.208 2.507 0 30 BFAC CCCC12COC(c3ccccc3)(OC1)OC2 5819819 PPVVLQQOTAKGFG-UHFFFAOYSA-N 234.295 2.660 0 30 BFAC CC(C)[C@H](N)[C@H](O)c1cccc(C(F)(F)F)c1 134816819 YFWVMAQKEIRPCN-WDEREUQCSA-N 247.260 2.722 0 30 BFAC CC[C@H](C(=O)O)c1cc(F)c(F)c(F)c1 306522056 LIDZBQHINUGCNK-LURJTMIESA-N 218.174 2.682 0 30 BFAC Cc1nn(C)c2oc(=O)cc(-c3ccccc3)c12 91569 VHZIEKBRQSFOSP-UHFFFAOYSA-N 240.262 2.502 0 30 BFAC Nc1nc(N)c2sc(-c3ccccc3)cc2n1 16697751 CSPKGUCKMUMGIG-UHFFFAOYSA-N 242.307 2.523 0 30 BFAC Cc1ccc(S(=O)(=O)[C@H]2C=CCCC2)cc1 22004784 DYHJOYRNQYMHAZ-LBPRGKRZSA-N 236.336 2.877 0 30 BFAC CCOC(=O)N1C=CC2(C=C1)CC2(C)C 1713691 IAZOWSWWBGTDSI-UHFFFAOYSA-N 207.273 2.902 0 30 BFAC CC(=O)Nc1cccc2c(O)cccc12 5437704 BVGSTJDGMQHVGZ-UHFFFAOYSA-N 201.225 2.504 0 30 BFAC COC(=O)CCCc1cc2ccccc2[nH]1 32167610 GHQNBSPRKLUEKB-UHFFFAOYSA-N 217.268 2.664 0 30 BFAC O=Cc1ccc(Br)cc1S 199575768 BJXYXJAAQPKFEB-UHFFFAOYSA-N 217.087 2.550 0 30 BFAC O=C(CCCCl)c1cncc(Cl)c1 2392754 OYYUXYOZOBEXJL-UHFFFAOYSA-N 218.083 2.937 0 30 BFAC N#Cc1ccc(NC2(C#N)CCCC2)cc1F 116915773 ILYFYXGXKGIWTE-UHFFFAOYSA-N 229.258 2.946 0 30 BFAC CCc1cc(CC)c(NC2=NCCN2)c(CC)c1 146346789 WVYGYHFCRFVBNN-UHFFFAOYSA-N 245.370 2.745 0 30 BFAC C[C@H](NCc1ccc(F)cc1)C(F)(F)F 277166649 KLZIMAZQYDNFPK-ZETCQYMHSA-N 221.197 2.866 0 30 BFAC CCCCNc1cccc(C(=O)OC)c1 36804367 GRQYGGUSFLWQDR-UHFFFAOYSA-N 207.273 2.685 0 30 BFAC N[C@@H]1CCOc2cc(Cl)cc(Cl)c21 36813913 KEBQWSWXMRGLTI-SSDOTTSWSA-N 218.083 2.776 0 30 BFAC COc1ccc2cc([C@@H](C)CN)oc2c1 75068582 RYTXTGUACXSSDA-QMMMGPOBSA-N 205.257 2.504 0 30 BFAC COC(=O)C1(Br)CCCCCC1 95829706 BPVHRCYHCSMZCD-UHFFFAOYSA-N 235.121 2.647 0 30 BFAC in-vitro CCOC(=O)c1nc(Cl)c(Cl)s1 95931796 NGZQHWGVYVNKKC-UHFFFAOYSA-N 226.084 2.627 0 30 BFAC CNCc1ccc(-c2ccncc2)s1 12370807 JSAZQLBHWDPNPA-UHFFFAOYSA-N 204.298 2.530 0 30 BFAC in-vitro c1cc(C2CCNCC2)c2cc[nH]c2c1 34100526 CXKVBJWYKLHQNW-UHFFFAOYSA-N 200.285 2.635 0 30 BFAC O=C1c2cccc(Cl)c2OCC12CC2 71489111 KMMSFVYECSZKDE-UHFFFAOYSA-N 208.644 2.695 0 30 BFAC O=C(O)[C@@H]1[C@H]2CC[C@@]1(c1ccc(F)cc1)C2 757543885 OOCBBOIXARWQNR-QWRKXWFKSA-N 220.243 2.578 0 30 BFAC Clc1nc(Cl)c2c(Cl)ccn2n1 224783278 WLHRHHIDKGSWKY-UHFFFAOYSA-N 222.462 2.690 0 30 BFAC Oc1ccc(Cl)cc1OC(F)(F)F 113667422 QKIZTLYHDABESN-UHFFFAOYSA-N 212.554 2.944 0 30 BFAC C[C@@H](NCc1ccc(F)cc1)C(F)(F)F 277166646 KLZIMAZQYDNFPK-SSDOTTSWSA-N 221.197 2.866 0 30 BFAC CC(C)(C)O[C@H]1C[C@@H](CC(=O)O)C12CCC2 1535647383 NASFZMMVSAMIDG-UWVGGRQHSA-N 226.316 2.835 0 30 BFAC CN(C)C(=O)Oc1noc2cc(Cl)ccc12 75905 IAGSCLYNFVGIIM-UHFFFAOYSA-N 240.646 2.542 0 30 BFAC C1=CO[C@H](COCc2ccccc2)CC1 403370 LGYFHVWBJDKUTO-ZDUSSCGKSA-N 204.269 2.896 0 30 BFAC in-vitro NCc1cnc(-c2cccc(Cl)c2)s1 40996523 SFQGHDSQELQPBU-UHFFFAOYSA-N 224.716 2.922 0 30 BFAC O=C(O)[C@@H]1CC[C@H]1c1ccccc1Cl 87924463 VOKNTOGPWOSSAQ-IONNQARKSA-N 210.660 2.918 0 30 BFAC Cc1cc(CN2C[C@H](C)O[C@@H](C)C2)cc(C)c1O 20413077 ATKGIAOFPRSGHG-STQMWFEESA-N 249.354 2.618 0 30 BFAC CCc1c(C=O)nn(C)c1Oc1ccc(C)cc1 39133526 QSDXKKSSCZVDID-UHFFFAOYSA-N 244.294 2.896 0 30 BFAC C[C@H](N)c1cc(F)cc(Br)c1 83592069 KQHQVFFNZTTXGA-YFKPBYRVSA-N 218.069 2.608 0 30 BFAC O=C(c1ccco1)N1N=CC[C@@H]1c1ccccc1 33901046 ADDVAAPVTQYGAM-GFCCVEGCSA-N 240.262 2.853 0 30 BFAC C[C@]1(OC=O)CCC[C@@H]2[C@H]3C=C[C@@H](C3)[C@@H]21 111890322 QNQHYBLGQZYPSY-WJTVCTBASA-N 206.285 2.540 0 30 BFAC O=C1CSCc2ccc(Br)cc21 117706726 HPIUPYXHSHXTAW-UHFFFAOYSA-N 243.125 2.879 0 30 BFAC CC(C)(C)OC(=O)NC1(c2ccc(N)cc2)CC1 148365577 XICSQPBWHNUHDY-UHFFFAOYSA-N 248.326 2.783 0 30 BFAC C[Si](C)(C)N1N=N[C@@H]2[C@H]3CC[C@@H](C3)[C@H]21 256450659 WMHDGAHLMMBTDA-AXTSPUMRSA-N 209.369 2.671 0 30 BFAC N[C@@H](C[C@@H](N)c1ccccc1)c1ccccc1 5934221 ILDQIFPNBGCLRH-GASCZTMLSA-N 226.323 2.777 0 30 BFAC O=C1S[C@@H](CN2CCCC2)c2ccccc21 33877664 LIVXNBIALDRMGT-LBPRGKRZSA-N 233.336 2.711 0 30 BFAC CCOc1noc(Cc2ccccc2)c1C 34482174 YADVSFROQCUPOR-UHFFFAOYSA-N 217.268 2.973 0 30 BFAC COc1ccc(C)cc1C[C@H]1CCCNC1 2555481 YTSHBJLBSBZDJN-GFCCVEGCSA-N 219.328 2.546 0 30 BFAC CN(Cc1ccccc1)Cc1cccc(N)c1 19387285 ZFJMUGYLMVMGPG-UHFFFAOYSA-N 226.323 2.901 0 30 BFAC C[C@]12C[C@H](CC(=S)N1)c1ccccc1O2 95883507 LVPAGNWZPXFPIS-UFBFGSQYSA-N 219.309 2.590 0 30 BFAC C[C@@H]1COC(c2ccccc2Br)=N1 199854366 FYFTZTGJMKFOOU-SSDOTTSWSA-N 240.100 2.614 0 30 BFAC OC[C@H](CC(F)(F)F)c1ccccc1 258078306 VFBNNGSGBPUOIS-VIFPVBQESA-N 204.191 2.715 0 30 BFAC C[C@@H]1CC[C@]2(O1)C(C)(C)CCC[C@@]2(C)O 5735772 LJOISVFAMDWVFA-RTXFEEFZSA-N 212.333 2.885 0 30 BFAC endogenous,in-man O=C(Nc1ccccc1F)c1ccccc1O 11639188 KRPASKLFRLGQHR-UHFFFAOYSA-N 231.226 2.784 0 30 BFAC O=C(O)C1=Cc2c(ccc3ccccc23)OC1 20285063 ZTKDKYOMXAZNKR-UHFFFAOYSA-N 226.231 2.700 0 30 BFAC CC(C)c1ccc(Nc2cc(=O)[nH]n2C)cc1 164509 STIRLYMAINQMBC-UHFFFAOYSA-N 231.299 2.580 0 30 BFAC CCC[C@@H]1NCCc2cc(OC)c(OC)cc21 32099107 ZGRPJQFNQKRAHZ-LBPRGKRZSA-N 235.327 2.691 0 30 BFAC Fc1cc(Br)cnc1C1CC1 238575891 SDRAXKDBDZTLOT-UHFFFAOYSA-N 216.053 2.861 0 30 BFAC C[C@@](O)(Cc1ccccc1)c1cccnc1 62170945 OXSXKZBTKAZGAI-CQSZACIVSA-N 213.280 2.532 0 30 BFAC COc1ccc2c(C)nc(Cl)nc2c1 95935180 BQVRZLSYRZCKLF-UHFFFAOYSA-N 208.648 2.600 0 30 BFAC C[C@@H]1CCCCN1CN1CCCC[C@H]1C 255984894 LDMRWZAGEZWQBV-CHWSQXEVSA-N 210.365 2.693 0 30 BFAC Nc1csc2ncc(Br)cc12 498036614 QFMJEYHENHVBFG-UHFFFAOYSA-N 229.102 2.641 0 30 BFAC CC(C)CNCc1cnc(Cl)s1 718211738 LDNFPZJTNYRFAX-UHFFFAOYSA-N 204.726 2.542 0 30 BFAC CNC[C@H](F)Cc1ccc2occc2c1 2265385494 AXJPNDTVVPTFOA-LLVKDONJSA-N 207.248 2.533 0 30 BFAC O=C(O)CCCc1ccc(C2CC2)cc1 59872429 YXAUCKLWWHEYMK-UHFFFAOYSA-N 204.269 2.971 0 30 BFAC Brc1cc([C@@H]2CCCN2)cs1 83330340 XOGXBHWAVZMOLT-ZETCQYMHSA-N 232.146 2.935 0 30 BFAC O[C@@H]1CCC[C@H](n2ncc3ccccc32)C1 86603048 QFUAWLFBGRZCGR-NWDGAFQWSA-N 216.284 2.512 0 30 BFAC Fc1ccc2nc3c(nc2c1)CCCC3 152749 LVJIAZWMVZCECJ-UHFFFAOYSA-N 202.232 2.648 0 30 BFAC CN(C)C=C1CCSc2ccccc2C1=O 4060927 KNAAKLVBOPAKER-UHFFFAOYSA-N 233.336 2.811 0 30 BFAC CC1=NN(c2c(C)cccc2Cl)C(=O)C1 5782456 PEHCLPGYMNFIOV-UHFFFAOYSA-N 222.675 2.761 0 30 BFAC NC[C@H]1CCCN(Cc2ccccc2Cl)C1 11888354 YZDCSVQBSXRJBL-LLVKDONJSA-N 238.762 2.511 0 30 BFAC O=C(O)CCCCc1c[nH]c2ccccc12 37632578 JYSVRMSRLUBSRO-UHFFFAOYSA-N 217.268 2.965 0 30 BFAC O=C(O)Cc1csc2cccc(F)c12 257989425 WABZDSRCJLNBCR-UHFFFAOYSA-N 210.229 2.668 0 30 BFAC Cc1csc(=NC2CCCCC2)n1C 334157461 LRUXRAZFPNIXHK-UHFFFAOYSA-N 210.346 2.628 0 30 BFAC CCOC(=O)/C=C/c1cccc(F)c1F 2383965 OIJWUNNWOYAHHU-VOTSOKGWSA-N 212.195 2.541 0 30 BFAC Cc1ccc2c(c1)[C@@H](N)c1ccccc1CO2 39110847 YCWLHXVHYLXFMY-HNNXBMFYSA-N 225.291 2.936 0 30 BFAC O=C(O)c1cc(F)cc(-c2ccncc2)c1 47212936 KVCSQFBCARNYOZ-UHFFFAOYSA-N 217.199 2.586 0 30 BFAC CCCCOC(=O)c1ccc(N)cc1C 39086973 GTMXOWWQLFFPAN-UHFFFAOYSA-N 207.273 2.534 0 30 BFAC C[C@@H](O)c1cc(Br)cs1 39291214 DPTFBIIZOCHASS-SCSAIBSYSA-N 207.092 2.564 0 30 BFAC CC(C)(C)OC(=O)CC1(CN)CCCCC1 43413974 WRNVQZGKIYMQMG-UHFFFAOYSA-N 227.348 2.627 0 30 BFAC Cc1cccc(N[C@@H]2CCO[C@H]2C)c1C 96034006 SDRZGELBCIPKMX-WCQYABFASA-N 205.301 2.893 0 30 BFAC in-vitro COC(OC)c1cc(F)cc(Br)c1 575441123 CTTGPPRRNKFFME-UHFFFAOYSA-N 249.079 2.880 0 30 BFAC CCC[C@H](O)c1ccc(Br)cn1 66327925 MAXSPYMZMXHXQU-VIFPVBQESA-N 230.105 2.678 0 30 BFAC CC[C@H]1CC[C@@](CC)(COC(C)=O)OC1 137378556 JKDKDEYZHCJMDU-RYUDHWBXSA-N 214.305 2.535 0 30 BFAC N[C@H](c1ccccc1)[C@H]1C[C@H]1c1ccncc1 1536221838 JRQLDZRQWHDHMM-SOUVJXGZSA-N 224.307 2.885 0 30 BFAC Brc1cncc(-n2cccc2)c1 40544034 OVGRYMOLPRDYBX-UHFFFAOYSA-N 223.073 2.635 0 30 BFAC in-vitro CCCN(C)[C@@H](CN)c1ccc(Cl)cc1 20226026 ZMUSIVGUKBUGIE-LBPRGKRZSA-N 226.751 2.682 0 30 BFAC in-vitro CC(C)(C)OC(=O)NC[C@@H]1CCCCCC1=O 88611449 JKPXTNAZYQNFSE-JTQLQIEISA-N 241.331 2.661 0 30 BFAC in-vitro Cc1ccc(Cl)cc1SCC(=O)O 147706190 FYDFKRMVWDCXJH-UHFFFAOYSA-N 216.689 2.825 0 30 BFAC CC(=O)N1[C@@H]2CCCC[C@@H]2[C@H]2CCCC[C@H]21 256465826 WCFMVZYSXWPQCW-AAVRWANBSA-N 221.344 2.966 0 30 BFAC CCc1cc(CC)cc(OC(=O)NC)c1 2011273 HUNDISMVCBSIKO-UHFFFAOYSA-N 207.273 2.530 0 30 BFAC CC(=O)Oc1cc(Cl)ccc1Cl 2382695 XSJDGJRHRDWQOR-UHFFFAOYSA-N 205.040 2.919 0 30 BFAC COc1ccc(C)cc1[C@H]1C[C@H](C)CN1 3704407 MLANWAJDICEXRD-CMPLNLGQSA-N 205.301 2.674 0 30 BFAC O=C1CNc2ccccc2N1Cc1ccccc1 41280233 ANUHQMKIMCKUAR-UHFFFAOYSA-N 238.290 2.645 0 30 BFAC COc1cc(Cl)cc(F)c1C(C)=O 95830220 PXEVRIBSJVSLCN-UHFFFAOYSA-N 202.612 2.690 0 30 BFAC COc1ccc(CN[C@H](C)C2CCC2)c(OC)c1 118953676 BKNJYJPCIHQYNG-LLVKDONJSA-N 249.354 2.982 0 30 BFAC Cc1nc2ccccc2n1-c1ccccn1 82048474 XJOAPGWPDDJMDJ-UHFFFAOYSA-N 209.252 2.729 0 30 BFAC N[C@H](CC1CCCC1)[C@H]1COc2ccccc2O1 87858994 LMRBOUFAOSVJNQ-IUODEOHRSA-N 247.338 2.734 0 30 BFAC in-vitro Brc1ccn2c(n1)nc1ccccc12 118203013 BNCWJNBNSQMDGY-UHFFFAOYSA-N 248.083 2.645 0 30 BFAC c1ccc(NCc2cccc3[nH]nnc23)cc1 140162834 JIETVSCVKGLIMT-UHFFFAOYSA-N 224.267 2.570 0 30 BFAC CC(C)C(=O)[C@H]1CC[C@@]2(C)CCC(=O)C=C12 223664718 ORJUTLLEFWUPNP-SMDDNHRTSA-N 220.312 2.917 0 30 BFAC CSc1cccc(C(=O)O)c1Cl 238423456 SPILZNXIVVCKEG-UHFFFAOYSA-N 202.662 2.760 0 30 BFAC O[C@H](CF)c1ccc(C(F)(F)F)cc1 958679856 HIWNOROGPPYREN-MRVPVSSYSA-N 208.154 2.708 0 30 BFAC Cn1ccc(-c2nc3ccccc3s2)n1 108715 ZTMHUKNKPQUPRP-UHFFFAOYSA-N 215.281 2.697 0 30 BFAC Oc1ccc2c(c1)O[C@@H](c1ccccc1)C[C@H]2O 3606201 KYPVDKAIGIDYLB-ZIAGYGMSSA-N 242.274 2.949 0 30 BFAC N[C@@H]1CCCN(c2cccc(C(F)(F)F)c2)C1 53712850 KDKFBVLCXICBJE-SNVBAGLBSA-N 244.260 2.633 0 30 BFAC C1=CO[C@@H](COCc2ccccc2)CC1 403369 LGYFHVWBJDKUTO-CYBMUJFWSA-N 204.269 2.896 0 30 BFAC in-vitro FC(F)(F)c1nc(Cl)c(Cl)[nH]1 32236101 ILZVPHDSQNNZBX-UHFFFAOYSA-N 204.966 2.735 0 30 BFAC Cc1nc2c(s1)CC[C@@H](CNC(C)C)C2 33874406 AWBBKHADPLLIMG-SNVBAGLBSA-N 224.373 2.554 0 30 BFAC Cc1sc(CCc2ccccc2)nc1C(=O)O 75796166 RILIEMACTLYGRV-UHFFFAOYSA-N 247.319 2.935 0 30 BFAC Cc1cc2ccc(C#N)cn2c1Br 149974441 VSGZADJKBWPCTB-UHFFFAOYSA-N 235.084 2.882 0 30 BFAC CCCCc1ccc(NC(C)=O)cc1O 5647516 IPWMGFCGVAEIHP-UHFFFAOYSA-N 207.273 2.693 0 30 BFAC COc1ccc(C[C@H](O)c2ccccc2)cc1 5733351 PKTDIXNDEIHHHO-HNNXBMFYSA-N 228.291 2.971 0 30 BFAC N=C(NCc1ccncc1)c1ccc(Cl)cc1 36047530 GHTRALPXGBIJNX-UHFFFAOYSA-N 245.713 2.850 0 30 BFAC Cc1c(Br)cccc1[C@@H](C)C(=O)O 84551526 BCSRXAKBMVHVCE-SSDOTTSWSA-N 243.100 2.946 0 30 BFAC FC(F)(F)Oc1cc(Br)ccn1 238525319 QDPVNEACVAXOKL-UHFFFAOYSA-N 241.994 2.743 0 30 BFAC N[C@H]1CCc2c1ccc(Br)c2F 238617891 UEHOBYXDJPIHPP-QMMMGPOBSA-N 230.080 2.534 0 30 BFAC COc1cccc2c1Cc1ccccc1C2=O 1594924 XUSRWDAATCCRHK-UHFFFAOYSA-N 224.259 2.830 0 30 BFAC CCOc1ccc(N(CC)C(=S)C#N)cc1 39125107 MFKUMHHQGQNDTK-UHFFFAOYSA-N 234.324 2.763 0 30 BFAC COc1cccc(N[C@@H](CN)c2ccccc2)c1 57533936 QTSOFJYLPQGFMK-HNNXBMFYSA-N 242.322 2.807 0 30 BFAC in-vitro COc1ccc(-c2ccc(CO)cc2)c(OC)c1 71792121 GOEJJSAEVJGMNC-UHFFFAOYSA-N 244.290 2.863 0 30 BFAC Cc1ccc(C(=O)[C@H]2CCC[C@@H]2C(=O)O)cc1 83317474 VWUABZLEGQFYQH-RYUDHWBXSA-N 232.279 2.679 0 30 BFAC CC(=O)Nc1ccc(C(C)(C)C)cc1N 76102 JNTZRPGQJDESJU-UHFFFAOYSA-N 206.289 2.525 0 30 BFAC FC(F)(F)c1ccc(N2CCSCC2)nc1 20443147 IIDJDQSCIIKWGC-UHFFFAOYSA-N 248.273 2.654 0 30 BFAC Nc1c(Br)cnc2cc(F)ccc12 41702229 JSURKVUKBSLHBK-UHFFFAOYSA-N 241.063 2.719 0 30 BFAC O=C1CCC[C@@H](n2ncc3ccccc32)C1 86602741 ZUMVEQDQRJCKLP-LLVKDONJSA-N 214.268 2.721 0 30 BFAC CC/C=C(\CC)B(O)Oc1ccccc1O 206144928 MJWUMMUEIJURJN-JXMROGBWSA-N 220.077 2.537 0 30 BFAC C[C@H](CO)c1cccc(OC(F)(F)F)c1 238438794 XYALWNOSLLNFIT-SSDOTTSWSA-N 220.190 2.681 0 30 BFAC NCC1(c2ccc(Br)s2)CCC1 96895625 CAMGMECCFOKPBE-UHFFFAOYSA-N 246.173 2.891 0 30 BFAC CC(=O)COc1cccc(C(F)(F)F)c1 34320439 LFGYKNVJPGEVMJ-UHFFFAOYSA-N 218.174 2.673 0 30 BFAC CCO[C@@H]1C(Br)=CC2CC1C2 39100303 VWZXBEKLONOPRI-IEIXJENWSA-N 217.106 2.710 0 30 BFAC C[C@H](CO)c1ccc(Br)cc1 41227998 RXLUPCQYFPVVKS-SSDOTTSWSA-N 215.090 2.545 0 30 BFAC in-vitro O=CN1[C@H]2CCCC[C@@H]2[C@H]2CCCC[C@H]21 267327753 OZGORQAYQOJQGC-LPWJVIDDSA-N 207.317 2.576 0 30 BFAC Fc1ccc(C2(C(F)(F)F)CC2)cn1 2265360995 YHINNDLALZDIAA-UHFFFAOYSA-N 205.154 2.815 0 30 BFAC CC(C)NC(=O)NCc1c(F)cccc1Cl 139334 IZTPJRVTUIFFSA-UHFFFAOYSA-N 244.697 2.687 0 30 BFAC OCCO[C@H]1CCCC[C@@H]1c1ccccc1 1599122 QZOQCWFGFMUAMB-KGLIPLIRSA-N 220.312 2.722 0 30 BFAC biogenic COc1ccc2c(c1)[C@@H](C(C)C)NCC2 11598340 CZDPIWZBCYKQMY-CYBMUJFWSA-N 205.301 2.538 0 30 BFAC N[C@@]1(c2ccc(Br)cc2)CC1(F)F 1536091856 CLMNSPCUICYKKR-MRVPVSSYSA-N 248.070 2.642 0 30 BFAC CC[C@](C)(CN(C)C)OC(=O)c1ccccc1 38 FDMBBCOBEAVDAO-CQSZACIVSA-N 235.327 2.574 0 30 BFAC biogenic,world COc1ccc(C[C@@H]2CCCNC2)cc1C 11630908 VSWHSJOXIJXKNF-ZDUSSCGKSA-N 219.328 2.546 0 30 BFAC O=C(OC1CCCCC1)c1ccncc1 2525017 UADBNACWGHSLIP-UHFFFAOYSA-N 205.257 2.571 0 30 BFAC CC(=O)CC(=O)c1cccc(C(F)(F)F)c1 20362681 TWXWMOJBLYOVJM-UHFFFAOYSA-N 230.185 2.867 0 30 BFAC in-vitro COc1ccc(C2(C(=O)O)CC3(CCC3)C2)cc1 86544437 KQPOLNFFGRIHPE-UHFFFAOYSA-N 246.306 2.982 0 30 BFAC in-vitro CC1(C)CC[C@@H](Nc2ncccc2C(=O)O)C1 129665655 DVNUVDICHFVUNM-SECBINFHSA-N 234.299 2.770 0 30 BFAC CC(C)(C)OC(=O)CCc1cccc(O)c1 406001284 YQBRECMHJDGVQB-UHFFFAOYSA-N 222.284 2.667 0 30 BFAC Cn1nc(NC(=O)C(C)(C)C)c2c(F)cccc21 114736 HATMOXGFESVUOV-UHFFFAOYSA-N 249.289 2.697 0 30 BFAC COc1ccc([C@H]2C[C@H](C)CN2)cc1F 3704399 OWAXAHSJXNQNAW-GZMMTYOYSA-N 209.264 2.505 0 30 BFAC CCCN1CCC2(CC1)CNc1ccccc12 95616781 BECTYQHAZVYZGQ-UHFFFAOYSA-N 230.355 2.856 0 30 BFAC Cc1nc(Cl)c(F)cc1Br 222014368 BWQOEIRRAAHWSI-UHFFFAOYSA-N 224.460 2.945 0 30 BFAC O=C(Cc1ccc2c(c1)OCO2)c1ccccc1 161876 MMKTWYBKNSDUEN-UHFFFAOYSA-N 240.258 2.841 0 30 BFAC O=C(O)[C@H]1CCCC2(CCC(F)(F)CC2)O1 688284417 QSSBMTNPFGUXKM-MRVPVSSYSA-N 234.242 2.588 0 30 BFAC CCc1cc(C(=O)O)c(Br)s1 132748820 YMYZOZVNKZZZJG-UHFFFAOYSA-N 235.102 2.771 0 30 BFAC CC(C)[C@@H]1OC(C)(C)O[C@@H]2CCSC[C@@H]12 1070083164 AEHSMBUNICYDGR-MXWKQRLJSA-N 230.373 2.916 0 30 BFAC NC[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 11891760 BKYRWYVOEKNJAL-MRVPVSSYSA-N 245.153 2.778 0 30 BFAC O=C(CCN1CCCCC1)[C@H]1C[C@H]2C=C[C@H]1C2 111899901 KRQADKCTBWUTRW-IHRRRGAJSA-N 233.355 2.644 0 30 BFAC CCCOC(=O)c1ccn2cccc2c1 575630247 URYFKNNWBAIMPO-UHFFFAOYSA-N 203.241 2.506 0 30 BFAC CC(C)(C)OC(=O)[C@@H](N)C1CCCCCC1 136845543 ZTQUQGRSCLFRFM-NSHDSACASA-N 227.348 2.626 0 30 BFAC COC(=O)NCCc1cc(Cl)ccc1Cl 1193918595 RJAJBLUXDBPPHI-UHFFFAOYSA-N 248.109 2.892 0 30 BFAC Cc1ccc([C@H](CCO)c2ccccn2)cc1 33636957 PMJDJIICWDIDQO-AWEZNQCLSA-N 227.307 2.904 0 30 BFAC CC(=O)OC[C@@H]1C(C)=CC[C@@H]2[C@H]1C2(C)C 38636733 MJGOVIGTDWZKNJ-UTUOFQBUSA-N 208.301 2.788 0 30 BFAC Fc1cccc(-c2nnc(Br)o2)c1 71556847 DUPRNZQIQCVBOM-UHFFFAOYSA-N 243.035 2.638 0 30 BFAC CC(C)Cc1cnc(N)c(Br)c1 96134541 OADJCROEZAHPTR-UHFFFAOYSA-N 229.121 2.625 0 30 BFAC CN(C)C[C@@H](N)c1ccc(Cl)c(Cl)c1 19821358 YOFLNTLVVZMXLU-SNVBAGLBSA-N 233.142 2.555 0 30 BFAC C[C@H](C(=O)c1ccccc1)[C@H](O)C(C)(C)C 21996911 BATLYISGCNQVRP-MFKMUULPSA-N 220.312 2.912 0 30 BFAC CC(=O)NC(C)(C)Cc1ccc(Cl)cc1 1606372 XJPIYPCUNZKJSK-UHFFFAOYSA-N 225.719 2.797 0 30 BFAC Cc1cc(Cl)ccc1NC(=S)N(C)C 33650172 IBZZDPVVVSNQOY-UHFFFAOYSA-N 228.748 2.907 0 30 BFAC in-vitro CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@H](N)CC2 150043981 AHZVODCGMRDGFZ-GFCCVEGCSA-N 248.326 2.980 0 30 BFAC N#[N+]c1ccc(N2CCOCC2)c(Cl)c1 5161726 AJZNPXUIFHXIIO-UHFFFAOYSA-N 224.671 2.661 0 30 BFAC COC[C@@H](O)c1ccc(Cl)cc1Cl 86519219 QWHUNIYKFAQICU-SECBINFHSA-N 221.083 2.673 0 30 BFAC CCOC(=O)c1cc(Br)sc1C 221285427 HJVQKMOOWVVMHL-UHFFFAOYSA-N 249.129 2.996 0 30 BFAC Cc1cc(C(=O)O)cc(Nc2cccc(F)c2)n1 228429918 GHHGBMVBEGSNOL-UHFFFAOYSA-N 246.241 2.971 0 30 BFAC C[S@@](=O)Cc1ccc(C(F)(F)F)cc1 279985484 LDJNKJSFWWPFLR-CQSZACIVSA-N 222.231 2.584 0 30 BFAC CC[C@@H](C)Sc1nnc(S)s1 163500 APLQCUQNHPBMRZ-SCSAIBSYSA-N 206.361 2.717 0 30 BFAC CCN(CC)[C@@H](C)C(=O)c1ccc(F)cc1 33986010 WGNVSJYDYFTELF-JTQLQIEISA-N 223.291 2.739 0 30 BFAC CC(C)OC(=O)[C@H](C)OCc1ccccc1 34428421 XQSDGZJPMXZJSW-NSHDSACASA-N 222.284 2.543 0 30 BFAC Brc1nsc(-c2ccccc2)n1 90411762 XFBJWQGWDVKNTQ-UHFFFAOYSA-N 241.113 2.968 0 30 BFAC CCOC1=N[C@@H](Cc2ccccc2)C=CC1 34619948 NHUNTLPAAGAVTD-CYBMUJFWSA-N 215.296 2.993 0 30 BFAC CCC1(CC)COC(c2ccncc2)OC1 39102263 QYQXGYUSUVEAGA-UHFFFAOYSA-N 221.300 2.933 0 30 BFAC C[C@@H]1Cc2cnccc2N1C(=O)OC(C)(C)C 39170693 NLQUQGKOQRLHNT-SECBINFHSA-N 234.299 2.768 0 30 BFAC COc1ccc(CC(=O)C(F)(F)F)c(C)c1 43212839 UJYZZDGGRQIFRM-UHFFFAOYSA-N 232.201 2.678 0 30 BFAC CC(C)(C)OC(=O)Nc1cccc2cn[nH]c12 83501962 NPUZLEGADAIBHS-UHFFFAOYSA-N 233.271 2.910 0 30 BFAC O=C(CC(F)(F)F)c1ccc(F)cc1 34976517 FWDLSJLKYUHRED-UHFFFAOYSA-N 206.138 2.961 0 30 BFAC in-vitro Cc1ccc2c(c1)[C@H](N)c1ccccc1CO2 39110846 YCWLHXVHYLXFMY-OAHLLOKOSA-N 225.291 2.936 0 30 BFAC c1cc(NC2=NCCO2)c2c3c1CC[C@@H]3CCC2 1852158 SSLMZEDSHZQGQP-JTQLQIEISA-N 242.322 2.851 0 30 BFAC c1ccc(-n2nccc2-c2ccncc2)cc1 72190545 SKUKESQGNMRTPD-UHFFFAOYSA-N 221.263 2.934 0 30 BFAC COc1ccc(OC)c(N2C=CC(C=N)=CC2)c1 223664283 VMDQBOXBPXWBCO-UHFFFAOYSA-N 244.294 2.613 0 30 BFAC CCOC(=O)c1cc2c([nH]1)CCC(C)(C)C2 261178118 CYXHMRDSXPSDMW-UHFFFAOYSA-N 221.300 2.706 0 30 BFAC CCC1(CC)C[C@H](O)CN1C(=O)OC(C)(C)C 2265384547 RBMKADNMROONIX-JTQLQIEISA-N 243.347 2.547 0 30 BFAC c1ccc(CN2C[C@H]3CSC[C@H](C3)C2)cc1 5562 GGVNYPLCGOIQCO-OKILXGFUSA-N 233.380 2.872 0 30 BFAC Cn1c(Cl)nc2cccc(Br)c21 117990250 XRXYYLBISFBNIY-UHFFFAOYSA-N 245.507 2.989 0 30 BFAC CC(C)(C(=O)O)c1ncc(Cl)cc1Cl 306193763 DSAZMIQHRGZLFD-UHFFFAOYSA-N 234.082 2.751 0 30 BFAC Cc1c(CC(=O)O)ccc(C(=O)C2CC2)c1C 226088391 SMLLOOGXMOGYGP-UHFFFAOYSA-N 232.279 2.523 0 30 BFAC Clc1ccc2nc(Br)oc2n1 238537760 SJUWWJBZLCJCLK-UHFFFAOYSA-N 233.452 2.639 0 30 BFAC O[C@H]1CCC=C[C@@H]1c1c[nH]c2ccccc12 34455602 CWTMAXQYJRXDPU-RISCZKNCSA-N 213.280 2.962 0 30 BFAC CSc1nc(O)c2sc3ncccc3c2n1 51951612 CAMDCEVVAUBQHD-UHFFFAOYSA-N 249.320 2.667 0 30 BFAC COc1cccc(Oc2ccc(C(=O)O)nc2)c1 84073080 ZSPBVLSGNOMGHJ-UHFFFAOYSA-N 245.234 2.581 0 30 BFAC COC(=O)C1(c2ccc(C(F)(F)F)cc2)CC1 187021047 BYRJROCWZNKLTO-UHFFFAOYSA-N 244.212 2.910 0 30 BFAC CSc1nc(Cl)c2ncn(C(C)C)c2n1 2265356080 MRNWLBPNJKGXQQ-UHFFFAOYSA-N 242.735 2.783 0 30 BFAC O=C(O)c1ccc([C@@H]2CC(=O)C23CCC3)cc1 2265383687 PCGQBBXUFOQTND-NSHDSACASA-N 230.263 2.612 0 30 BFAC O=c1[nH]c(-c2ccccc2F)nc2ccccc12 4017507 KGYMOXVODQDCNC-UHFFFAOYSA-N 240.237 2.729 0 30 BFAC CC(C)c1nc(C(=O)O)c2ccc(Cl)cn12 212760440 WXXQONILZGGSQL-UHFFFAOYSA-N 238.674 2.809 0 30 BFAC Cc1cc(Br)ccc1[C@H]1CO1 306975091 MXWVGBGBEWPVPF-SECBINFHSA-N 213.074 2.829 0 30 BFAC CCOC(=O)N1CCC(Nc2ccccc2)CC1 37186005 AOCPQWXKKIAVLT-UHFFFAOYSA-N 248.326 2.719 0 30 BFAC C1=CSC2=Cc3scnc3CC2=N1 45237711 MQSOKUQUARFPHX-UHFFFAOYSA-N 206.295 2.699 0 30 BFAC CC(C)Oc1cc(N)ccc1Br 98181112 ODESMYFMQFQGGI-UHFFFAOYSA-N 230.105 2.819 0 30 BFAC in-vitro CCN1CCCC[C@@H]1c1[nH]nc2c1CCCCN2 3698326 PPFMAQHPXJMPBG-GFCCVEGCSA-N 248.374 2.705 0 30 BFAC O=C1NC(=O)C(=Cc2cc3ccccc3o2)S1 2265239503 JMRQNSULIHRDLN-UHFFFAOYSA-N 245.259 2.757 0 30 BFAC CC(C)(O)CCCC[C@H](O)C(C)(C)C 5354524 AMNHLQWCSMTIRY-JTQLQIEISA-N 202.338 2.725 0 30 BFAC CN(C)C=CC(=O)c1cccc(C(F)(F)F)c1 12340057 WWXXUJAADIZIRL-UHFFFAOYSA-N 243.228 2.963 0 30 BFAC CC(=O)c1c[nH]c2nc(Br)ccc12 95919878 XSHRQVRNFDDZPD-UHFFFAOYSA-N 239.072 2.528 0 30 BFAC CCCC(Br)(CCC)C(=O)O 83254944 VKEWQHFBEKFBLA-UHFFFAOYSA-N 223.110 2.805 0 30 BFAC in-vitro CN(C(=O)OC(C)(C)C)c1ccccc1CN 87502651 GYJOBGJCWHVCAK-UHFFFAOYSA-N 236.315 2.517 0 30 BFAC C[C@@H](O)c1cc(OC(F)(F)F)ccc1F 108000734 STIYUKDOIGIVAY-RXMQYKEDSA-N 224.153 2.778 0 30 BFAC Nc1cc(C(F)(F)F)cc2c1NCCC2 521399756 GPBKJDSUDBSMPM-UHFFFAOYSA-N 216.206 2.646 0 30 BFAC CCC(=O)[C@@H]1CCCN(c2ccccc2F)C1=O 1535191124 IVWIAVIYNOKJGI-JTQLQIEISA-N 249.285 2.548 0 30 BFAC O=C(O)Cc1ccc(C2(C(F)(F)F)CC2)cc1 1911936401 DMOPIUQGLQPMHM-UHFFFAOYSA-N 244.212 2.908 0 30 BFAC CCCCOCCOCOCCOCCCC 5514184 MHKHVNAGXJGYIT-UHFFFAOYSA-N 248.363 2.611 0 30 BFAC Cc1cccc(C)c1NC1=NCCS1 13835955 VLUXBNSRYHXDBV-UHFFFAOYSA-N 206.314 2.818 0 30 BFAC OC1(c2ccc(OC(F)(F)F)cc2)CC1 238654950 GSVAIRYIDIBLIM-UHFFFAOYSA-N 218.174 2.567 0 30 BFAC CC(C)(C)OC(=O)N1CC(CSCCF)C1 536947989 LKUKBELZKKBWHN-UHFFFAOYSA-N 249.351 2.556 0 30 BFAC Brc1csc(-c2ccccn2)n1 44121320 DYXMAMIOTZLKIL-UHFFFAOYSA-N 241.113 2.968 0 30 BFAC in-vitro COc1ccc(C(=O)C(F)(F)F)c(F)c1 82718526 IZUDIRMSQZNJKP-UHFFFAOYSA-N 222.137 2.579 0 30 BFAC CCC[C@]1(N)CCCN(C(=O)OC(C)(C)C)C1 211413078 FWTDOXYMVKZLGN-ZDUSSCGKSA-N 242.363 2.515 0 30 BFAC CCOC(=O)[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]21 536948785 ZQDYBKBOQXPBCK-SDDRHHMPSA-N 236.698 2.789 0 30 BFAC O=C(O)c1c(-c2ccsc2)ccc2n[nH]cc12 607717048 NNIFQJBJSXRCAX-UHFFFAOYSA-N 244.275 2.990 0 30 BFAC COc1ccc2c(c1)C[C@@H](C(C)C)CN2 11633310 JUPSTCXLRFVYBY-LLVKDONJSA-N 205.301 2.935 0 30 BFAC Cc1cccc2c1OCCC[C@H]2NC1CC1 35652669 DAXOYKREAXDYMS-CYBMUJFWSA-N 217.312 2.961 0 30 BFAC CCCN(CCC)[C@H]1COc2ccc(O)cc2C1 5647673 COYBCQFIVNQGKW-CYBMUJFWSA-N 249.354 2.818 0 30 BFAC NCc1cnc(-c2ccccc2Cl)s1 40996845 KUIOAODBABUFDY-UHFFFAOYSA-N 224.716 2.922 0 30 BFAC CC1(C)CCN(c2cc(Cl)ncn2)CC1 61823939 FCXPLBZPHPPIPV-UHFFFAOYSA-N 225.723 2.756 0 30 BFAC Fc1ccc2oc(Br)nc2c1 75883636 GDLXFIMWABPBFD-UHFFFAOYSA-N 216.009 2.729 0 30 BFAC Cc1nc(C(C)C)ncc1Br 82326416 CEPGZPIBBBFQBB-UHFFFAOYSA-N 215.094 2.671 0 30 BFAC COC(=O)c1ccc(-c2cccc(C)c2)[nH]1 238402970 BFIYBWFEHJFJKD-UHFFFAOYSA-N 215.252 2.777 0 30 BFAC CCOC(=O)c1ccc(OC)c(Cl)c1F 261062642 MYZKBJCPXUEGBC-UHFFFAOYSA-N 232.638 2.664 0 30 BFAC COc1ccc2c(c1C)OC(C)(C)CC2=O 173278 FXCFNISCGZOEFF-UHFFFAOYSA-N 220.268 2.747 0 30 BFAC Cc1ccccc1[C@@H]1NCCc2cc(O)ccc21 3731736 GHGIFQVAINWVNG-INIZCTEOSA-N 239.318 2.936 0 30 BFAC Brc1ccccc1[C@H]1CCCNC1 82327939 RWVFSHDBSPUFIP-VIFPVBQESA-N 240.144 2.916 0 30 BFAC O=C(O)c1cnc2sccc2c1Cl 82371393 SRFCCWMMWYCDSK-UHFFFAOYSA-N 213.645 2.648 0 30 BFAC N[C@H]1C[C@@](F)(c2ccc(C(F)(F)F)cc2)C1 390244983 FGGMCPFSOXCQJQ-MGCOHNPYSA-N 233.208 2.991 0 30 BFAC C[C@H]1Cc2cnccc2N1C(=O)OC(C)(C)C 39170694 NLQUQGKOQRLHNT-VIFPVBQESA-N 234.299 2.768 0 30 BFAC CC(C)c1nc2ncc(Br)cc2[nH]1 42750045 JEBNOBIICJGLIB-UHFFFAOYSA-N 240.104 2.844 0 30 BFAC O=C(O)[C@@H]1CC[C@H]1n1cc(-c2ccccc2)cn1 129458894 SVRPQELBVVTWSW-CHWSQXEVSA-N 242.278 2.586 0 30 BFAC CC(C)(C)OC(=O)n1nc(N)cc1C1CCC1 138934462 NKJHJPQRXMBBDS-UHFFFAOYSA-N 237.303 2.516 0 30 BFAC Cn1c2c(c3ccccc31)CCC[C@H]2N 39104900 IRXSWXIVJKTFTK-LLVKDONJSA-N 200.285 2.514 0 30 BFAC CC[C@@H](C(=O)O)c1c[nH]c2ccccc12 39188407 BFHAQYNXHDWMOU-MRVPVSSYSA-N 203.241 2.746 0 30 BFAC Brc1nnc(C2CCC2)s1 71051567 NSMWEBSFCGIQLI-UHFFFAOYSA-N 219.107 2.568 0 30 BFAC CCCCOCCOCCOC(C)(C)C 5821453 WQQZDUVVRLTLIJ-UHFFFAOYSA-N 218.337 2.635 0 30 BFAC COc1ccc([C@H]2CCNC2)c(C(F)(F)F)c1 217693126 RWFNKGYFGHDPPY-QMMMGPOBSA-N 245.244 2.791 0 30 BFAC Cc1sc(Br)nc1[C@H]1CCOC1 258821437 KVCZTGQJLQJSOQ-LURJTMIESA-N 248.145 2.718 0 30 BFAC CS[C@@H](F)C(=O)c1ccc(F)cc1F 39054627 PIMOSMGCEZXNKN-SECBINFHSA-N 220.215 2.806 0 30 BFAC Cc1ccccc1[C@@H](N)CC(F)(F)F 42413265 JXJAALSYZOMVIF-VIFPVBQESA-N 203.207 2.947 0 30 BFAC in-vitro COc1ccc(CO)cc1SC(F)(F)F 74942620 HWMUSXZYZCDORA-UHFFFAOYSA-N 238.230 2.799 0 30 BFAC Nc1n[nH]c2c1CSc1ccc(Cl)cc1-2 107668 ASTVPUJJWPJYLZ-UHFFFAOYSA-N 237.715 2.918 0 30 BFAC O=C(c1cccs1)n1ccc(C(F)(F)F)n1 117279 LKWKAJYVJMQOOM-UHFFFAOYSA-N 246.213 2.652 0 30 BFAC Cc1cc(C)c(C(=O)C2CCNCC2)c(C)c1 4390509 QQNKNZXXLAADTO-UHFFFAOYSA-N 231.339 2.794 0 30 BFAC FCc1cccc(I)c1 107263604 CLGUNKIQACZLMY-UHFFFAOYSA-N 236.027 2.761 0 30 BFAC CC(C)N(C(=O)c1cc(F)ccc1O)C(C)C 1775937637 BXZYSYIRBNFPMP-UHFFFAOYSA-N 239.290 2.790 0 30 BFAC CC(=O)Nc1ccc(O[C@H]2CCCCO2)cc1 3652637 XROXKJRPYIKBQH-ZDUSSCGKSA-N 235.283 2.550 0 30 BFAC CC(=O)CCC(=O)CCc1ccccc1 5283400 QOJXCPCFIDQVJB-UHFFFAOYSA-N 204.269 2.558 0 30 BFAC CC(C)(C)c1ccc([C@H]2COC(=O)N2)cc1 83966069 NHFRFGVAGVRFGK-LLVKDONJSA-N 219.284 2.765 0 30 BFAC COc1ccc2[nH]cc(C[C@@H](C)N(C)C)c2c1 1852963 WDKDEBAFCKHQPF-SNVBAGLBSA-N 232.327 2.669 0 30 BFAC CC(=O)Nc1cccc(-c2cncc(Cl)n2)c1 21993390 BQKDTHSLJYXRCD-UHFFFAOYSA-N 247.685 2.755 0 30 BFAC Brc1cnc(-c2ccccc2)cn1 38540595 SLFNGAVOQANKIE-UHFFFAOYSA-N 235.084 2.906 0 30 BFAC CCCCCC[C@@H](O)[C@@H](O)CCCC 43505226 COLYTQSCHUMMSR-NWDGAFQWSA-N 202.338 2.869 0 30 BFAC Brc1csc(-c2ccncc2)n1 44121345 UJZYFILMBWMMRA-UHFFFAOYSA-N 241.113 2.968 0 30 BFAC in-vitro CCCc1ccc(C(=O)CCN(C)C)cc1 49817413 BHRVYRFZWBJBPC-UHFFFAOYSA-N 219.328 2.774 0 30 BFAC COc1cc(C(=O)O)c(O)c(-c2ccccc2)c1 85471986 YGILQQMKYSAMGL-UHFFFAOYSA-N 244.246 2.766 0 30 BFAC C[C@@](C(=O)O)(c1ccccc1)C(F)(F)F 118606427 LUPZGOUSFVXQNQ-VIFPVBQESA-N 218.174 2.591 0 30 BFAC COC(=S)Nc1ccccc1Cl 111478 FEZPTANOZOILLS-UHFFFAOYSA-N 201.678 2.683 0 30 BFAC NCc1cnc(-c2ccc(Cl)cc2)s1 40996504 CECCVDJSQZBWTQ-UHFFFAOYSA-N 224.716 2.922 0 30 BFAC in-vitro Clc1cccc(NCc2ncc[nH]2)c1 49714559 KWRNCEDVXKEPDS-UHFFFAOYSA-N 207.664 2.675 0 30 BFAC COCCOc1ccc(Br)c(F)c1 78468892 LOVPCTBFGLBNFT-UHFFFAOYSA-N 249.079 2.613 0 30 BFAC CC(C)[C@H](N)[C@@H](O)c1cccc(C(F)(F)F)c1 134816856 YFWVMAQKEIRPCN-QWRGUYRKSA-N 247.260 2.722 0 30 BFAC Clc1c[nH]c2ccnc(Br)c12 44713150 ULKJDMCYMNULCS-UHFFFAOYSA-N 231.480 2.979 0 30 BFAC CC[C@H](C)COC(=O)c1ccc(N(C)C)cc1 5140077 DDFJYMPPPJNZME-NSHDSACASA-N 235.327 2.956 0 30 BFAC N[C@H](CC(F)(F)F)c1ccc(F)cc1 19415269 NDHCCNONCRFSGK-MRVPVSSYSA-N 207.170 2.778 0 30 BFAC in-vitro C/C=C(\C)CCOC(=O)c1ccccc1O 33953433 DUVODKYLTOFNJW-XCVCLJGOSA-N 220.268 2.905 0 30 BFAC CC(=O)c1ccc2cc(C(=O)O)ccc2c1 144318170 RENRXKAWNUMITR-UHFFFAOYSA-N 214.220 2.741 0 30 BFAC CCn1nc(C2CC2)cc1Br 238280168 PVEMCLIHZKCVMP-UHFFFAOYSA-N 215.094 2.543 0 30 BFAC CN(C)c1cc(Cl)c(C(=O)O)c(Cl)c1 238309287 RZGFYXOQUKHYQA-UHFFFAOYSA-N 234.082 2.758 0 30 BFAC N[C@@H](c1ccccc1)C(F)(F)C(F)(F)F 34417859 AGGIAQNUHJQMCT-ZETCQYMHSA-N 225.160 2.884 0 30 BFAC COC(=O)c1ccc(N)c(OC2CCCCC2)c1 37289919 RKLBAXJJJHZIRI-UHFFFAOYSA-N 249.310 2.767 0 30 BFAC CNCc1ccc(F)cc1C(F)(F)F 83344911 ANJUBGOFWBMZGY-UHFFFAOYSA-N 207.170 2.564 0 30 BFAC CN1C[C@@]2(c3cccc(O)c3)CCC[C@H]1C2 101256241 CACUHZYZLDBFQG-GXTWGEPZSA-N 217.312 2.518 0 30 BFAC CC(C)N[C@H](C)[C@H](C)[C@H](O)c1ccccc1 141493104 SYBPCAQOIBYYBB-SCRDCRAPSA-N 221.344 2.743 0 30 BFAC COc1cc(OC)c2nc(Cl)sc2c1 6793219 SLPKOCNNXGCCEK-UHFFFAOYSA-N 229.688 2.967 0 30 BFAC NC(=S)COc1cccc(Cl)c1Cl 19487612 DUJMNRAJDCNIMA-UHFFFAOYSA-N 236.123 2.658 0 30 BFAC O=C(O)C1=C[C@]2(CCNc3ccccc3C2)CC1 22114124 UJGOKTVNHDTZTN-HNNXBMFYSA-N 243.306 2.836 0 30 BFAC C[C@H](CCOP(=O)(O)O)CC(C)(C)C 44712542 CPVSQXHMFHZDCI-MRVPVSSYSA-N 224.237 2.558 0 30 BFAC CC(C)NC(=O)[C@@]1(C(C)C)CCC[C@@H]1C 6037589 UURITHKBXNEWEF-WCQYABFASA-N 211.349 2.973 0 30 BFAC Brc1cnc2c(c1)NC1(CCC1)N2 39711846 KRRPSDSAMSSTJR-UHFFFAOYSA-N 240.104 2.562 0 30 BFAC COc1ccc([C@@H]2C[C@@H](C)CN2)cc1F 3704398 OWAXAHSJXNQNAW-KCJUWKMLSA-N 209.264 2.505 0 30 BFAC N=C(Nc1ccccc1)c1cscn1 5848606 HRWBQLWDZDPSPP-UHFFFAOYSA-N 203.270 2.581 0 30 BFAC Fc1c(Br)ccc2c1NCCC2 216461117 FWTUAMKHGPWWKP-UHFFFAOYSA-N 230.080 2.946 0 30 BFAC Nc1cnc2ccc(F)cc2c1Br 675048771 ONQPKIOEZYUMLD-UHFFFAOYSA-N 241.063 2.719 0 30 BFAC CNCC[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C 675050960 DIELNHWOTDWBPN-SNVBAGLBSA-N 244.379 2.535 0 30 BFAC N[C@@H]1CN(Cc2ccccc2)C2(CCCCC2)C1 1554770451 CAEOSVQJXCUHSM-HNNXBMFYSA-N 244.382 2.923 0 30 BFAC Cc1ccc(NC(=O)C2CCCC2)cc1O 5126622 LQCWEHRHBZDKJR-UHFFFAOYSA-N 219.284 2.829 0 30 BFAC COc1ccc(-c2ccc(N)nc2)cc1Cl 52886423 MXVMJGDILOLAHZ-UHFFFAOYSA-N 234.686 2.993 0 30 BFAC in-vitro CCC[Sn](C)(C)C 195754244 GDLIQYVPJMAUEA-UHFFFAOYSA-N 206.905 2.735 0 30 BFAC CC(=O)c1ccc(C2CCC(O)CC2)cc1 2265351600 NUJZYBWDGFSPLF-UHFFFAOYSA-N 218.296 2.908 0 30 BFAC COC(=O)c1cccnc1Nc1ccccc1 21986436 XTQQEFBWUFUXSZ-UHFFFAOYSA-N 228.251 2.612 0 30 BFAC CC[C@H](C)Oc1ncc(F)c(O[C@H](C)CC)n1 40443059 NDYGUHTXPWPXGR-BDAKNGLRSA-N 242.294 2.970 0 30 BFAC O=C(O)CCc1csc(Br)c1 83334921 CWOXPCOXGSOTCG-UHFFFAOYSA-N 235.102 2.528 0 30 BFAC CCC1(CO)CCN(Cc2ccccc2)CC1 95348131 LNRNKJKBPFAPDK-UHFFFAOYSA-N 233.355 2.671 0 30 BFAC in-vitro N[C@H]1CC2(CCC2)Oc2ccc(F)cc21 95616533 IIJSMMZDAYZHBP-JTQLQIEISA-N 207.248 2.531 0 30 BFAC C[C@H](O)c1c[nH]c2ccc(Br)cc12 95697817 XFBZKZYXTCXBEL-LURJTMIESA-N 240.100 2.984 0 30 BFAC Cc1ccc(CCNC(=O)OC(C)(C)C)o1 67172336 SQRNSVAAZISDGR-UHFFFAOYSA-N 225.288 2.655 0 30 BFAC Cc1cccnc1[C@H](Cc1ccccc1)C(=O)O 128626169 PLWBFVNZPCJOIZ-ZDUSSCGKSA-N 241.290 2.801 0 30 BFAC CCc1c2c(nc3ccc(F)cc13)COC2 34428297 FFFIYSPRJRDUIJ-UHFFFAOYSA-N 217.243 2.967 0 30 BFAC Clc1nncc(OCC2CCC2)c1Cl 91365329 QOVDTGOIHOOYOC-UHFFFAOYSA-N 233.098 2.962 0 30 BFAC CSCc1c(C)noc1-c1cc(C)on1 122777 XNUUMKDHLIMYLJ-UHFFFAOYSA-N 224.285 2.809 0 30 BFAC Cc1cc(C)c(F)c(Br)n1 238540828 XGTUCLZAALROPK-UHFFFAOYSA-N 204.042 2.600 0 30 BFAC CCOc1ccc2nc(NC)sc2c1 33606110 QWYAAGWZTKAZFC-UHFFFAOYSA-N 208.286 2.737 0 30 BFAC N[C@H](c1cc(Cl)nc(Cl)c1)C(F)(F)F 238619475 HJHOOFVIJVDMHV-ZCFIWIBFSA-N 245.031 2.951 0 30 BFAC COc1ccc(C(=O)OCC(C)C)cc1 1694759 HQYSDZUOGBUYJA-UHFFFAOYSA-N 208.257 2.508 0 30 BFAC Cn1nccc1-c1cccc(Br)c1 12370651 RIYUQLBSAMXENJ-UHFFFAOYSA-N 237.100 2.850 0 30 BFAC CC(C)C1CCC([C@@H](O)c2ccnn2C)CC1 87961691 WBUYSTBAJVPGLO-ORHYLEIMSA-N 236.359 2.916 0 30 BFAC in-vitro Fc1ccccc1[C@@H](F)C1CCNCC1 107275349 IKOFIQNUQHGJGD-LBPRGKRZSA-N 211.255 2.836 0 30 BFAC O=C(O)c1csc(COC2CCCCC2)n1 328359440 AVAXPQYOPIEOKX-UHFFFAOYSA-N 241.312 2.691 0 30 BFAC C[C@@H](C(=O)O)c1cc(Br)ccc1F 83256056 CJHSIUMIQJTQAC-RXMQYKEDSA-N 247.063 2.776 0 30 BFAC CC(C)(C)[C@H]1NCCc2cc(O)ccc21 83660586 SVLPCBUONWZBBL-LBPRGKRZSA-N 205.301 2.625 0 30 BFAC Cc1cnccc1-c1ccc(C(=O)O)s1 85424514 WKOHGHFEKOGNGT-UHFFFAOYSA-N 219.265 2.817 0 30 BFAC COC1(c2ccccc2)[C@H]2CCC[C@H]1CN(C)C2 100063068 YFFNPIAPUDUYAU-GJZGRUSLSA-N 245.366 2.890 0 30 BFAC in-man Clc1c[nH]c2ncnc(N3CCCCC3)c12 24366 ZYUZIQCTDGCTPB-UHFFFAOYSA-N 236.706 2.602 0 30 BFAC Cc1cc2[nH]nc(-c3ccccc3Cl)n2n1 88633 RKZGTXWGNZITOL-UHFFFAOYSA-N 232.674 2.686 0 30 BFAC O=C(Cc1ccccc1)C(F)(F)Cl 39382633 GXZPJURDYSAYJK-UHFFFAOYSA-N 204.603 2.630 0 30 BFAC in-vitro Cn1c(-c2ccccc2)nc(C(C)(C)C)c1N 106840378 WXCTWEXHUJKSJN-UHFFFAOYSA-N 229.327 2.967 0 30 BFAC FC(F)(F)c1cc2c(c(Cl)n1)OCCN2 95762340 LMEDETGGHUQZED-UHFFFAOYSA-N 238.596 2.558 0 30 BFAC COC(=O)c1[nH]cc2ccc(Cl)cc12 215770626 CRQGOORSVNSEFZ-UHFFFAOYSA-N 209.632 2.608 0 30 BFAC CCNc1cn(-c2ccccc2)nc1C 3622838 IGGXORUTHQWCGM-UHFFFAOYSA-N 201.273 2.613 0 30 BFAC CN(C)[C@@H]1CCc2ccc3[nH]ccc3c2C1 3798324 HENBLLXAHPTGHX-LLVKDONJSA-N 214.312 2.587 0 30 BFAC O=C(O)/C(=C/c1ccccc1)C(F)(F)F 38529631 JLTJGTZUUSSVMZ-VURMDHGXSA-N 216.158 2.717 0 30 BFAC Fc1ccccc1[C@H](F)C1CCNCC1 107275346 IKOFIQNUQHGJGD-GFCCVEGCSA-N 211.255 2.836 0 30 BFAC Cc1ccc([C@@H](C)O)cc1Br 145207095 ALJNMHXPTJTHOG-SSDOTTSWSA-N 215.090 2.811 0 30 BFAC O=C1CC[C@@H]1c1cccc(Br)c1 238029242 LRENYOPIBCLDFZ-SECBINFHSA-N 225.085 2.896 0 30 BFAC CCC(=O)[C@H]1CCCN(c2ccccc2F)C1=O 1535191135 IVWIAVIYNOKJGI-SNVBAGLBSA-N 249.285 2.548 0 30 BFAC COc1ccc(C[C@@H](O)c2ccccc2)cc1 5733359 PKTDIXNDEIHHHO-OAHLLOKOSA-N 228.291 2.971 0 30 BFAC CCCC[C@@H](CC)COCC(OC)OC 5821819 DMBSAAZSRLMQPK-LLVKDONJSA-N 218.337 2.838 0 30 BFAC CN1C(=S)CSc2cccc(F)c21 39124823 PBBHBMXZJDBKQO-UHFFFAOYSA-N 213.302 2.695 0 30 BFAC Cc1ccc(-c2c[nH]c(C(=O)O)c2)cc1 77297006 ROMZSOAXAWLFTJ-UHFFFAOYSA-N 201.225 2.688 0 30 BFAC C[C@@H](C(=O)O)c1ccc(Br)c(F)c1 84567037 XQPCSUQAODFLRM-RXMQYKEDSA-N 247.063 2.776 0 30 BFAC CCCCCNn1cnc2ccccc21 142226015 RPJHMTZUFCRKCQ-UHFFFAOYSA-N 203.289 2.770 0 30 BFAC CC1(C)C(=O)N(Cc2ccccc2)C1(C)C 96328144 MSSGMPXSAAESCP-UHFFFAOYSA-N 217.312 2.834 0 30 BFAC Cn1c(Cl)nc2c(Cl)cccc21 107190389 IGGOTTIRBWKAOR-UHFFFAOYSA-N 201.056 2.880 0 30 BFAC COC[C@@H]1CCCN1c1cccc(O)c1Cl 145846271 LEKIGXUQKLGJHC-VIFPVBQESA-N 241.718 2.661 0 30 BFAC C[C@@H](NCC(C)(C)N)c1cccc(Cl)c1 261535044 NOCLHPFMNIXMGJ-SECBINFHSA-N 226.751 2.728 0 30 BFAC C[C@](N)(c1ccc(F)cc1)C(F)(F)F 82670824 LBCZBSGCPUWHBE-QMMMGPOBSA-N 207.170 2.562 0 30 BFAC Oc1cc2cnccc2cc1Br 142519566 ZCXXIQQBBHWUTJ-UHFFFAOYSA-N 224.057 2.703 0 30 BFAC CC(C)(C)c1coc(CC2CCNCC2)n1 258368739 XWYQHFGEKDPWMJ-UHFFFAOYSA-N 222.332 2.514 0 30 BFAC CCN(CC)C(=O)CNc1c(C)cccc1C 1854510 HQMQWFJSTXFCPH-UHFFFAOYSA-N 234.343 2.584 0 30 BFAC CCO[P@]1(=O)OC[C@@H]2CCCC[C@@H]2O1 39432058 YELNSPXZJVCXBM-UINNMSKDSA-N 220.205 2.737 0 30 BFAC CN(C)c1ccc(NCc2ccc[nH]2)cc1 60392814 HTFVLCZDUGERKB-UHFFFAOYSA-N 215.300 2.693 0 30 BFAC N[C@@H]1CCCc2c(Br)cc(F)cc21 212511260 AIJXLYPSAJHLFZ-SNVBAGLBSA-N 244.107 2.924 0 30 BFAC CCOC(=O)[C@@H]1[C@H]2Cc3c(Cl)cccc3[C@@H]21 521399613 MYVRUTSAZYJHCF-ZMLRMANQSA-N 236.698 2.789 0 30 BFAC CC(C)Cc1nc(-c2ccccc2)c[nH]c1=O 1433137 LRVOHCKCVYNCHO-UHFFFAOYSA-N 228.295 2.635 0 30 BFAC CCSc1ccc(OC(=O)NC)cc1 5921884 OZJCQBUSEOVJOW-UHFFFAOYSA-N 211.286 2.517 0 30 BFAC CN[C@H](C)C(=O)c1ccc2sccc2c1 691801808 UUTCAMGZEOYTDB-MRVPVSSYSA-N 219.309 2.692 0 30 BFAC C1CCC(CNCC2CCOCC2)CC1 52172043 ZABQLHJIMDAODY-UHFFFAOYSA-N 211.349 2.583 0 30 BFAC CCCSc1nnc(Br)s1 81665543 JRJRNAMQZKEZLU-UHFFFAOYSA-N 239.163 2.803 0 30 BFAC CSc1nc(Cl)cc(N2CCCCC2)n1 82699302 MBMLHMFYKRILAT-UHFFFAOYSA-N 243.763 2.842 0 30 BFAC CN[C@@H](Cc1ccc(Cl)cc1)N1CCCC1 1503954222 SJTLJLJETRWWNU-CYBMUJFWSA-N 238.762 2.524 0 30 BFAC CC[C@@H](C)Nc1ncnc2sccc12 116000 ARMNWWVIAVOYNY-SSDOTTSWSA-N 207.302 2.902 0 30 BFAC O=C(/C(Cl)=C/c1ccccc1)N1CCCC1 492224 QBDATSAUQQIXBM-BENRWUELSA-N 235.714 2.889 0 30 BFAC CCCCCC[C@H](O)CCOC(=O)C(C)C 5820460 BKLLEFBQDROZNE-LBPRGKRZSA-N 230.348 2.907 0 30 BFAC CSC[C@@H](N)c1ccccc1Cl 54495397 ROSACFFAABWTHX-SECBINFHSA-N 201.722 2.703 0 30 BFAC N[C@H]1CCCc2c(Br)cc(F)cc21 212511315 AIJXLYPSAJHLFZ-JTQLQIEISA-N 244.107 2.924 0 30 BFAC CCOC(=O)C(F)(F)c1sccc1C 87019146 ZSRYAIHYRLKNGE-UHFFFAOYSA-N 220.240 2.711 0 30 BFAC OCc1cc(F)c(Cl)cc1Br 147371508 IEFHAJBGTGYFJT-UHFFFAOYSA-N 239.471 2.734 0 30 BFAC C[C@H]1CCCN1c1ccc(Br)cn1 42376592 JIFDQQBERRVXFT-QMMMGPOBSA-N 241.132 2.833 0 30 BFAC N[C@H](CC1CCCC1)[C@@H]1COc2ccccc2O1 87858995 LMRBOUFAOSVJNQ-DOMZBBRYSA-N 247.338 2.734 0 30 BFAC in-vitro CC(C)[C@@]1(C(=O)N(C)C)CCCC[C@H]1C 33507048 ZNXSLRIBKWBICP-YPMHNXCESA-N 211.349 2.927 0 30 BFAC c1ccc2sc(CNC3CC3)nc2c1 37977674 GCWLXPWZFXOBII-UHFFFAOYSA-N 204.298 2.548 0 30 BFAC N[C@@H]1CCc2cc(Cl)cc(Cl)c21 42405119 JXFAAKRSQWLCQU-MRVPVSSYSA-N 202.084 2.939 0 30 BFAC c1ccc2c(c1)CCN[C@H]2c1nc2ccccc2[nH]1 43594350 MXBOWFNYTXFRNB-OAHLLOKOSA-N 249.317 2.798 0 30 BFAC C[Si](C)(C)N1N=N[C@H]2[C@H]3CC[C@@H](C3)[C@@H]21 195766687 WMHDGAHLMMBTDA-XKNYDFJKSA-N 209.369 2.671 0 30 BFAC N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F 72190797 WKURNLWGWJCHGM-ZETCQYMHSA-N 241.159 2.850 0 30 BFAC in-vitro N[C@@H]1CC2(CCCC2)Oc2ccc(F)cc21 74046143 AUNWIYCRCJHCCF-LLVKDONJSA-N 221.275 2.921 0 30 BFAC O=C(O)c1ccc(Cl)cc1C(F)F 138224201 MIUSIKIQFDFKHH-UHFFFAOYSA-N 206.575 2.976 0 30 BFAC CCOC(=O)c1cnc2c(F)ccc(F)c2c1 238854424 NPPJHSKWELCYKT-UHFFFAOYSA-N 237.205 2.690 0 30 BFAC Cc1ccc(C)c(NC(=S)N(C)C)c1 13659072 PLEQLRPCCKRYJZ-UHFFFAOYSA-N 208.330 2.562 0 30 BFAC CSc1nncc(-c2cccc(Cl)c2)n1 33864763 VZWLMFMRSUDPAQ-UHFFFAOYSA-N 237.715 2.914 0 30 BFAC CCN1CCCC[C@@H]1Cc1cccc(O)c1 39102136 LHDGJCGZORIYSY-CYBMUJFWSA-N 219.328 2.809 0 30 BFAC O=C(O)c1cc(Cl)cc(N2CCCC2)c1 147564287 MGRJHRUPNPCCPR-UHFFFAOYSA-N 225.675 2.638 0 30 BFAC c1cc(-c2csnn2)ccc1-c1csnn1 106797 YGDCZCOYHVZPNC-UHFFFAOYSA-N 246.320 2.724 0 30 BFAC CCCc1cc(=O)c2cc(OCC)ccc2[nH]1 32099912 UYJKXKJQZDESSJ-UHFFFAOYSA-N 231.295 2.879 0 30 BFAC CC(F)(F)CCNC(=O)OC(C)(C)C 238854775 PHOFHBVHGHCCCA-UHFFFAOYSA-N 209.236 2.556 0 30 BFAC Cc1ccc(NC(=S)NC(=N)C(C)C)cc1 127411 MBBBISPLVOCWND-UHFFFAOYSA-N 235.356 2.915 0 30 BFAC CSC1=NC(=O)C(=Cc2ccco2)S1 1395017 JDKMHZDQRADBLZ-UHFFFAOYSA-N 225.294 2.613 0 30 BFAC COc1ccccc1C[C@@H]1CCCCCN1 3734966 MLKKLLTZVLQPNS-ZDUSSCGKSA-N 219.328 2.770 0 30 BFAC in-vitro O=C(O)c1c[nH]c2c(Cl)nc(Cl)cc12 44185337 MIRVXHZGFGMQAA-UHFFFAOYSA-N 231.038 2.568 0 30 BFAC O=C(O)CC1CCC(C(F)(F)F)CC1 82862565 FBXGRUYFAGAYKU-UHFFFAOYSA-N 210.195 2.830 0 30 BFAC in-vitro CCO[P@]1(=O)OC[C@@H]2CCCC[C@H]2O1 263590114 YELNSPXZJVCXBM-ATEUNZGCSA-N 220.205 2.737 0 30 BFAC O=C(O)c1cc(F)c(C(F)F)cc1F 307274365 NAFWSHOGYSIDBN-UHFFFAOYSA-N 208.110 2.601 0 30 BFAC CC1=CC[C@@H]([C@H](C)CP(=O)(O)O)CC1 5767270 QBOXAKWKMIZAPC-NXEZZACHSA-N 218.233 2.547 0 30 BFAC Brc1ccn2cc(C3CC3)nc2c1 82330739 WMEJSLGULVMORW-UHFFFAOYSA-N 237.100 2.974 0 30 BFAC CC1(C)CN[C@@H]1c1nccn1Cc1ccccc1 616582352 OAXVTOMJXOXFIH-CYBMUJFWSA-N 241.338 2.602 0 30 BFAC CNC(=O)Oc1ccccc1C(C)(C)C 1841132 MCJHCFNLHXLNJW-UHFFFAOYSA-N 207.273 2.702 0 30 BFAC CCOC(=O)c1c(Cl)ccc(C)c1F 44200470 ARPDQWYLGJXNMC-UHFFFAOYSA-N 216.639 2.964 0 30 BFAC in-vitro CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)OCCO 100779842 JFKCVAZSEWPOIX-UTUOFQBUSA-N 244.331 2.593 0 30 BFAC endogenous,in-man O=C(c1ccc(Cl)cc1)c1cc(O)ccc1O 196725558 QHPYZXMSWKFIJO-UHFFFAOYSA-N 248.665 2.982 0 30 BFAC O=C1CC2(C1)CC(COCc1ccccc1)C2 202760441 KZXRMEVAKWRZSH-UHFFFAOYSA-N 230.307 2.963 0 30 BFAC CCOC(=O)c1cnc2sncc2c1Cl 705793322 AELALBHMZMKYFT-UHFFFAOYSA-N 242.687 2.521 0 30 BFAC CCCCC[C@H](OC(C)=O)[C@H]1CCCO1 5820902 ZCAFBBZXLGOTRK-NEPJUHHUSA-N 214.305 2.677 0 30 BFAC C[C@@H](C(=O)OCCc1ccccc1)C(F)(F)F 21998577 OFMDZHRBKBHCGQ-VIFPVBQESA-N 246.228 2.971 0 30 BFAC O=c1c2ccccc2sn1CN1CCCCC1 38634983 NCHWTFBQYUSMGV-UHFFFAOYSA-N 248.351 2.506 0 30 BFAC CC(C)(C)c1oc(=O)c(Cl)nc1Cl 39124094 HHOUUAHDAPSSMS-UHFFFAOYSA-N 222.071 2.639 0 30 BFAC O=C(O)c1nccc2c(Cl)cccc12 74178416 LXMZDKJEIQAZIM-UHFFFAOYSA-N 207.616 2.586 0 30 BFAC CC(C)(C)[C@@H]1NCCc2cc(O)ccc21 83660587 SVLPCBUONWZBBL-GFCCVEGCSA-N 205.301 2.625 0 30 BFAC NC(=C\c1ccccc1)/C(N)=C/c1ccccc1 114722106 OZEUJFADVHWGAN-NFLUSIDLSA-N 236.318 2.986 0 30 BFAC CC(=O)O[C@]1(C)CCC[C@H]2[C@H]3C=C[C@@H](C3)[C@H]21 256500088 HSLYLHLFKJXFCS-QSLWVIQJSA-N 220.312 2.930 0 30 BFAC CCc1nc(Br)c2ccccn12 8339449 UHQAYBFBRAOMQP-UHFFFAOYSA-N 225.089 2.659 0 30 BFAC O=[S@@](O)c1ccc(OCc2ccccc2)cc1 34360727 VJLKJNJDFYSQNT-UHFFFAOYSA-N 248.303 2.846 0 30 BFAC Brc1ccc2c(c1)NC[C@@H]1C[C@H]21 258199405 KEGDLDNIVJWMKV-RCOVLWMOSA-N 224.101 2.978 0 30 BFAC Nc1cc(Br)ccc1NC1CC1 26513084 IBDBZZZATILJRU-UHFFFAOYSA-N 227.105 2.606 0 30 BFAC in-vitro CCCCC(=O)OCCc1scnc1C 33637239 YCFURYOJKUTCOJ-UHFFFAOYSA-N 227.329 2.727 0 30 BFAC O=c1cc(-c2ccc(O)cn2)oc2ccccc12 38218960 NCSGHKVBYGSOQC-UHFFFAOYSA-N 239.230 2.561 0 30 BFAC Nc1nc(-c2ccc(Cl)cc2Cl)no1 77358901 ZSXSNXZRJBDXSZ-UHFFFAOYSA-N 230.054 2.626 0 30 BFAC CC(=O)OC[C@@H]1C(C)=CC[C@@H]2[C@@H]1C2(C)C 111896644 MJGOVIGTDWZKNJ-IJLUTSLNSA-N 208.301 2.788 0 30 BFAC NC[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 11891757 BKYRWYVOEKNJAL-QMMMGPOBSA-N 245.153 2.778 0 30 BFAC COc1ccc([C@@H]2CCC(=O)C2)c(C)c1 39105264 SMWJRXXMBHVYOK-SNVBAGLBSA-N 204.269 2.840 0 30 BFAC Cc1c(C(=O)OC(C)(C)C)ccc2c1CC[C@@H]2N 140841194 LLSUNXRXXMMHGQ-ZDUSSCGKSA-N 247.338 2.896 0 30 BFAC N[C@@H]1CCCc2ccc(Br)cc2C1 1535332587 JYLAAWZFYJIIES-LLVKDONJSA-N 240.144 2.655 0 30 BFAC Cc1cc(Cl)ccc1Nc1nnns1 118246 LUAZNGJUBOSJLD-UHFFFAOYSA-N 226.692 2.639 0 30 BFAC N[C@@H]1CCC[C@H](c2ccc(F)c(F)c2)C1 70637101 MCBOYWFAUSDEHK-WCBMZHEXSA-N 211.255 2.950 0 30 BFAC COC[C@@H]1CCN(c2cccc(O)c2Cl)C1 146150768 IHNFECYGBKJIRO-SECBINFHSA-N 241.718 2.518 0 30 BFAC Oc1cc2ccccc2c(Br)n1 307489761 GGXDLVIOJKPNFB-UHFFFAOYSA-N 224.057 2.703 0 30 BFAC C[C@H](NC(=O)OC(C)(C)C)c1nccs1 34432140 OIMUZDGGRUONCX-ZETCQYMHSA-N 228.317 2.729 0 30 BFAC NCCNc1ccc2c(c1)Oc1ccccc1O2 39135198 QXXJZMUHNWDQHO-UHFFFAOYSA-N 242.278 2.955 0 30 BFAC C[C@H]1CNc2cc(C(F)(F)F)ccc2O1 62526480 TWFYPTBFWDSAGZ-LURJTMIESA-N 217.190 2.898 0 30 BFAC CCOC(=O)[C@H](F)CC1CCCCC1 216636405 XWVWXMAXBYKOEQ-SNVBAGLBSA-N 202.269 2.858 0 30 BFAC in-vitro O=C(NC=Cc1ccco1)NCc1ccccc1 2265237586 NZZQKSWQEZCYLD-UHFFFAOYSA-N 242.278 2.750 0 30 BFAC CCn1nc(C2CCCCC2)c2c1NCC2 3707767 LGHSPQWQQQTFPB-UHFFFAOYSA-N 219.332 2.919 0 30 BFAC Cc1cccc2nc(C(F)(F)F)[nH]c12 26439548 VSIDZHZJJPABSA-UHFFFAOYSA-N 200.163 2.890 0 30 BFAC N[C@H]1CCc2cc(Cl)cc(Cl)c21 42405117 JXFAAKRSQWLCQU-QMMMGPOBSA-N 202.084 2.939 0 30 BFAC Nc1ccc(Br)c2c1CCC2 75621053 OLAPMNKCBVZWQU-UHFFFAOYSA-N 212.090 2.520 0 30 BFAC Nc1ccc(Br)cc1C(F)F 238575203 MYKQNIIULJJZAR-UHFFFAOYSA-N 222.032 2.969 0 30 BFAC O=C1CCCN=C(Nc2cccc(F)c2)S1 90427 ZQNLYFAJKKRWSJ-UHFFFAOYSA-N 238.287 2.647 0 30 BFAC CCC(=O)N1Cc2ccc(Cl)cc2CO1 2015790 AVFGEQIITULSTD-UHFFFAOYSA-N 225.675 2.524 0 30 BFAC CC1(C)C(=O)Oc2ccc(Br)cc21 60294534 OAEWUHSTZCAZRD-UHFFFAOYSA-N 241.084 2.646 0 30 BFAC CCC[C@@H]1O[C@H](O)[C@H](CC)[C@H](CCC)O1 255992097 OHFLMXOCEVFBCA-RHYQMDGZSA-N 216.321 2.673 0 30 BFAC C[C@@]1(CN)CCN(c2ccc(Cl)cc2)C1 309043810 LRSDICWFUKDASJ-LBPRGKRZSA-N 224.735 2.515 0 30 BFAC CC(=O)CC(=O)[C@H]1C(C)=CCCC1(C)C 33506509 RDXJHZKPBWOPGF-GFCCVEGCSA-N 208.301 2.917 0 30 BFAC C[C@@H](O)c1ccc(Br)s1 36158140 OTGIFRWTOPRWPY-SCSAIBSYSA-N 207.092 2.564 0 30 BFAC in-vitro Nc1cc2cc(Br)c(F)cc2cn1 1565504852 UAPDNFWOJAITBO-UHFFFAOYSA-N 241.063 2.719 0 30 BFAC O=[P@]1(CO)Oc2ccccc2-c2ccccc21 34345917 ZVNLUXZZYVQUTE-QGZVFWFLSA-N 246.202 2.599 0 30 BFAC NCCc1cccc(Br)c1Cl 84530235 WITCVKSRPODGDE-UHFFFAOYSA-N 234.524 2.604 0 30 BFAC N[C@H]1CCCN(c2ccc(Cl)c(Cl)c2)C1 33426967 NJLRPQXEJMDNFX-QMMMGPOBSA-N 245.153 2.921 0 30 BFAC CCSC[C@@H](Cc1ccc(F)cc1F)NC 83485547 PJONRLOZUOJSIA-LLVKDONJSA-N 245.338 2.848 0 30 BFAC O=C(O)C1CCC(CC(F)(F)F)CC1 114706830 IZZSKYUNXJVTMU-UHFFFAOYSA-N 210.195 2.830 0 30 BFAC N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 238860536 ZUSHQSYFWIQVNY-CZMCAQCFSA-N 215.218 2.910 0 30 BFAC O=c1ccsn1-c1cccc(Cl)c1F 12367068 FLVXYAGCEOJNQC-UHFFFAOYSA-N 229.663 2.692 0 30 BFAC C[C@H](N[C@H]1CCC[C@@H]1C(=O)O)c1ccccc1 84038577 MMRSAYGEYXDDDE-DRZSPHRISA-N 233.311 2.591 0 30 BFAC COc1ccc(Nc2ccc(O)cc2)c(CO)c1 5141203 UYQUBFWYHSVOJZ-UHFFFAOYSA-N 245.278 2.637 0 30 BFAC CCC(=O)O[C@H](C)c1ccc(OC)cc1 33506271 WNHUSXOIBXEAMM-SECBINFHSA-N 208.257 2.709 0 30 BFAC Fc1ccc(-n2[nH]cc3c(=S)ncnc2-3)cc1 136115456 ALTFEISKVBBEDX-UHFFFAOYSA-N 246.270 2.569 0 30 BFAC CC(C)(C)OC(=O)N1CCC[C@]2(CS2)C1 2265385123 DJSIZXAXXNJJOI-LLVKDONJSA-N 229.345 2.503 0 30 BFAC CC(=O)CCc1ccc(OC(=O)C(C)C)cc1 33608391 VEABESDNQUAXFH-UHFFFAOYSA-N 234.295 2.770 0 30 BFAC CCOC(=O)[C@H]1[C@H]2c3ccc(Cl)cc3C[C@H]21 536948780 ZQDYBKBOQXPBCK-GRYCIOLGSA-N 236.698 2.789 0 30 BFAC N[C@@H](c1ccc(Br)cc1)C(F)F 20475287 UHRJUROJGQHHTE-ZETCQYMHSA-N 236.059 2.714 0 30 BFAC CC1(C)CCN(c2ccc(C(=O)O)cc2)C1 87254883 KFKIEJWFAOYELQ-UHFFFAOYSA-N 219.284 2.621 0 30 BFAC OC(Cl)(Cl)c1ccccc1Cl 145611353 DSLITGFWQPXQLO-UHFFFAOYSA-N 211.475 2.920 0 30 BFAC CO[C@@H](C)[C@@H](F)CC(=O)c1ccccc1 198678148 UZTLCBWDWWFICN-ONGXEEELSA-N 210.248 2.632 0 30 BFAC Nc1cc(-c2ccc(F)cc2Cl)no1 20078705 CBTACQKUWICLPE-UHFFFAOYSA-N 212.611 2.716 0 30 BFAC CCC(=O)O[C@]1(c2ccccc2)CCN(C)[C@H]1C 1692918 LUKSBMJXPCFBKO-SWLSCSKDSA-N 247.338 2.559 0 30 BFAC in-man CC(C)NC(=O)[C@@]1(C(C)C)CCC[C@H]1C 6030922 UURITHKBXNEWEF-DGCLKSJQSA-N 211.349 2.973 0 30 BFAC Nc1cc(-c2ccccc2OC(F)F)no1 20078652 CQNHDCIYMDBVMM-UHFFFAOYSA-N 226.182 2.525 0 30 BFAC Oc1ccc2c(c1)CCN[C@@H]2c1cccs1 3702917 RBCUOBUHBWNSCZ-ZDUSSCGKSA-N 231.320 2.689 0 30 BFAC C[C@H]1C(=O)Nc2ccccc2S[C@@H]1C 4336418 GTUFEXDPRZPSSZ-HTQZYQBOSA-N 207.298 2.755 0 30 BFAC COc1cc(O)c(C(C)=O)c2ccccc12 32235174 HUSLXRRSHBIRFH-UHFFFAOYSA-N 216.236 2.757 0 30 BFAC CCCCO[C@H]1CCC(=O)N1Cc1ccccc1 33900696 WPWXUBAZDOBDHI-HNNXBMFYSA-N 247.338 2.952 0 30 BFAC CN1C(=S)CC2(CCCCC2)C1=S 39124760 IWJXPTQLRVAHBV-UHFFFAOYSA-N 213.371 2.927 0 30 BFAC Brc1ncsc1C1CC1 72192318 FHNHKDMSLVPOFQ-UHFFFAOYSA-N 204.092 2.783 0 30 BFAC C[C@@]1(Cc2cc(F)c(F)c(F)c2)CCCN1 134345734 FWYODGUFVULODX-LBPRGKRZSA-N 229.245 2.789 0 30 BFAC C=CC(=O)N[C@@H](C)N(CCCC)CCCC 141809686 FDXADWWZNANSOF-GFCCVEGCSA-N 226.364 2.537 0 30 BFAC O=C1CCCC[C@H]1Oc1ccccc1F 205966485 GUMRWJHMZURONS-GFCCVEGCSA-N 208.232 2.716 0 30 BFAC C[C@H]1CN=C2[C@H](C)c3ccccc3N2C1 39104913 QHOSWFBLBCVOGE-VHSXEESVSA-N 200.285 2.658 0 30 BFAC Cc1ccc(Br)cc1[C@@H](C)C(=O)O 83256057 XQPXUDKIHDOFIW-SSDOTTSWSA-N 243.100 2.946 0 30 BFAC CCC(=O)[C@H]1CCCN(c2cccc(F)c2)C1=O 1535191173 RHRGFTOXIOITPX-GFCCVEGCSA-N 249.285 2.548 0 30 BFAC CC[C@@H]1CSc2nc3ccsc3c(=O)n21 117213 YIBHXNKOPNOJLD-ZCFIWIBFSA-N 238.337 2.515 0 30 BFAC CC(C)NC(=O)N1CCc2sccc2[C@@H]1C 143320 XPOMGKHWPJNPLH-VIFPVBQESA-N 238.356 2.785 0 30 BFAC Cc1ccc([C@@H]2NCCc3cc(O)ccc32)s1 3702950 UYJMUJDUHKHZTK-CQSZACIVSA-N 245.347 2.997 0 30 BFAC Oc1ccc2nc(Br)ccc2c1 95930630 GDEHZIXHUPMXMK-UHFFFAOYSA-N 224.057 2.703 0 30 BFAC in-vitro Brc1ccsc1[C@@H]1CCCN1 3732491 BYIULCHZBJFCBZ-ZETCQYMHSA-N 232.146 2.935 0 30 BFAC CCN(CC)COc1nsc2ccccc12 38647050 GZCHAXSDZLOSHJ-UHFFFAOYSA-N 236.340 2.974 0 30 BFAC C=Cc1c(SC)sc(C(N)=O)c1C 125714 FISQNCJLYPPANK-UHFFFAOYSA-N 213.327 2.520 0 30 BFAC CCO[C@@H](C(=N)NC(C)C)c1ccccc1 5650864 OESWXOBSRAZJQR-GFCCVEGCSA-N 220.316 2.739 0 30 BFAC CCOC(=O)Cc1nc(C2CCCC2)cs1 54077862 YKAFQKFXCZHSJC-UHFFFAOYSA-N 239.340 2.906 0 30 BFAC CCOc1ccccc1[C@H]1CCCC1=O 55241006 CZSUCTGOTDQCJF-SNVBAGLBSA-N 204.269 2.922 0 30 BFAC Brc1cccc(O[C@H]2CCOC2)c1 82456081 UKRJSQHOMMGCON-JTQLQIEISA-N 243.100 2.617 0 30 BFAC CC(C)(O)c1cscc1Br 86553629 LLZLSTQSRDKHGI-UHFFFAOYSA-N 221.119 2.738 0 30 BFAC CC1(CNC(=O)OC(C)(C)C)CCC(=O)CC1 238133461 MWNICYBMNRGXEQ-UHFFFAOYSA-N 241.331 2.661 0 30 BFAC Nc1cccc2ccc(Br)nc12 258029943 GFLPPNSUUZWFGP-UHFFFAOYSA-N 223.073 2.580 0 30 BFAC N[C@@H](c1ccccc1OC(F)F)C(F)(F)F 72195194 WSBGPPQVFZYRJB-ZETCQYMHSA-N 241.159 2.850 0 30 BFAC in-vitro COc1nc(Cl)c(Br)cc1F 238382826 NKYLIOOPFJFQDX-UHFFFAOYSA-N 240.459 2.645 0 30 BFAC Cc1cccc(C)c1N1C(=O)CCC(C)(C)C1=O 2148860 KDZLTFBVWGKJJD-UHFFFAOYSA-N 245.322 2.983 0 30 BFAC O[C@H]1c2ccccc2COc2ccccc21 6929306 USEUIZFNMZIVML-AWEZNQCLSA-N 212.248 2.661 0 30 BFAC CCOC(=O)c1cn(C)c2c(F)cc(F)cc12 260598312 AWCMWCIEZUSMFC-UHFFFAOYSA-N 239.221 2.633 0 30 BFAC O[C@@H]1C(=Cc2ccc(Cl)cc2)N2CCC1CC2 2265279493 WRHOCFANFXIPAE-AWEZNQCLSA-N 249.741 2.767 0 30 BFAC CCC[C@H](O)[C@H](C)C(=O)c1ccccc1 21996957 YTMHKYDVBYQMHR-JQWIXIFHSA-N 206.285 2.666 0 30 BFAC C[C@@]1(c2ccc3ccccc3c2)O[C@@H]1C(=O)O 90693853 ZHPUQUVBHISIBQ-OCCSQVGLSA-N 228.247 2.538 0 30 BFAC Nc1nc(-c2ccc3ccccc3n2)cs1 96378801 ZOAIFGNOVKGWNH-UHFFFAOYSA-N 227.292 2.941 0 30 BFAC Cc1nc(O)c2cc(C(F)(F)F)ccc2n1 149538367 BDOARPLOYRTBPM-UHFFFAOYSA-N 228.173 2.663 0 30 BFAC CCC(=O)O[C@@H]1C[C@H]2C[C@H]1[C@@H]1C=CC[C@H]12 212560084 ZPFJBPIFMMENKC-CSYMLDBXSA-N 206.285 2.540 0 30 BFAC COc1c(C)cc(C)cc1[C@@H]1C[C@H](C)CN1 3705019 MGFCKZHJFCDVDB-GWCFXTLKSA-N 219.328 2.983 0 30 BFAC Clc1c[nH]c2c(Br)ccnc12 44712996 KDNHTAZXKWGAEO-UHFFFAOYSA-N 231.480 2.979 0 30 BFAC CCN1CC[C@@H](N)[C@@H]1c1ccc(Cl)c(F)c1 69799832 JKJUMFRAYAWCDL-NEPJUHHUSA-N 242.725 2.573 0 30 BFAC in-vitro NNc1ccc(C(F)(F)F)c(Cl)c1 142761253 ILFLAYJMFWWAIZ-UHFFFAOYSA-N 210.586 2.644 0 30 BFAC CC(C)C(=O)[C@H]1CC[C@]2(C)CCC(=O)C=C12 223664784 ORJUTLLEFWUPNP-FZMZJTMJSA-N 220.312 2.917 0 30 BFAC CCCCC[C@H](OC(C)=O)[C@H](C)COC(C)=O 5820899 TVGYJOZXWMFEJX-MFKMUULPSA-N 244.331 2.698 0 30 BFAC O=C(c1ccccc1)C(F)(F)C(F)F 39055467 LYWZYIDEVTXKMQ-UHFFFAOYSA-N 206.138 2.770 0 30 BFAC Cc1cc(C(=O)O)c2scnc2c1C 214808588 QBIRNIFAAPQQRT-UHFFFAOYSA-N 207.254 2.611 0 30 BFAC C[C@](C(=O)O)(c1ccccc1)C(F)(F)F 88462861 LUPZGOUSFVXQNQ-SECBINFHSA-N 218.174 2.591 0 30 BFAC O=C(O)[C@H]1CCc2cccc3cccc1c23 96331982 BOQJPTHKYBFYIX-LBPRGKRZSA-N 212.248 2.954 0 30 BFAC CCOC(Cc1ccc(F)cc1)OCC 1995178 KHBPNUUPZGUYDW-UHFFFAOYSA-N 212.264 2.767 0 30 BFAC in-vitro C[C@@H](N)c1ccc(Oc2cccnc2)cc1 15937406 MSFDAKMISBBZMK-SNVBAGLBSA-N 214.268 2.894 0 30 BFAC in-vitro CC(C)C[C@@H]1CN(Cc2ccccc2)CCN1 21986742 HQMROSCVRBNRRZ-OAHLLOKOSA-N 232.371 2.507 0 30 BFAC O=C(CC(F)(F)F)OCc1ccccc1 145215093 NJIKJDQETRFPKD-UHFFFAOYSA-N 218.174 2.682 0 30 BFAC Brc1ccccc1N1CC=CC1 15041873 DLDMCTCDUUXPIO-UHFFFAOYSA-N 224.101 2.825 0 30 BFAC Cc1noc(C)c1CNCc1cccs1 20253302 HNILLQKCAZICAY-UHFFFAOYSA-N 222.313 2.643 0 30 BFAC O=C1CCC[C@H](n2ncc3ccccc32)C1 86602743 ZUMVEQDQRJCKLP-NSHDSACASA-N 214.268 2.721 0 30 BFAC CCCCNc1ccc(OC)cc1OC 19903468 DMVZOFOMVHBURJ-UHFFFAOYSA-N 209.289 2.916 0 30 BFAC CC(C)N[C@H](C)[C@H](C)[C@@H](O)c1ccccc1 32230933 SYBPCAQOIBYYBB-OUCADQQQSA-N 221.344 2.743 0 30 BFAC CCCCOC(=O)c1ccccc1NC 32237052 FDQBIXWYPOVREH-UHFFFAOYSA-N 207.273 2.685 0 30 BFAC CCOc1ccc(CN)c(C(F)(F)F)c1 36805706 JELCXMPCKINYAX-UHFFFAOYSA-N 219.206 2.563 0 30 BFAC O=C(O)c1cc(F)ccc1N1CCCCC1 37233918 LJRHCRAISRPYQV-UHFFFAOYSA-N 223.247 2.514 0 30 BFAC COC(=O)CCCCCCCC[C@@H](C)O 33950246 UFIVBIIQLDEBCZ-LLVKDONJSA-N 216.321 2.661 0 30 BFAC O=C1c2ccccc2CC12Cc1ccccc1C2=O 34291753 CQPJACDXHQIKLZ-UHFFFAOYSA-N 248.281 2.851 0 30 BFAC C[C@H](NCC(C)(C)N)c1cccc(Cl)c1 261535045 NOCLHPFMNIXMGJ-VIFPVBQESA-N 226.751 2.728 0 30 BFAC CCc1cccc2c(F)c(C(=O)O)[nH]c12 527406166 ZBVQYOJAUQWJJE-UHFFFAOYSA-N 207.204 2.568 0 30 BFAC COc1ccc(C)cc1[C@@H]1C[C@H](C)CN1 3704408 MLANWAJDICEXRD-JQWIXIFHSA-N 205.301 2.674 0 30 BFAC CCCCNC(=O)c1cc2cc(OC)ccc2[nH]1 4390808 RJGMEDBQCQLMBH-UHFFFAOYSA-N 246.310 2.706 0 30 BFAC CCOC(=O)CCCc1cccc(Cl)n1 66327930 UBLJBQBMJUXBON-UHFFFAOYSA-N 227.691 2.621 0 30 BFAC Nc1ccc(Cl)c(OCC(F)(F)F)c1 69635097 RFHPBTBJUIEHDI-UHFFFAOYSA-N 225.597 2.863 0 30 BFAC Cc1ccc(Cl)cc1N1C(=O)CCCC1=O 2147744 TWTVDOAMMBGXEC-UHFFFAOYSA-N 237.686 2.692 0 30 BFAC C[C@H](C(=O)O)c1ncc(Cl)cc1Cl 126310553 UGWREXJFDAQOOB-BYPYZUCNSA-N 220.055 2.577 0 30 BFAC CC(C)(C)OC(=O)N[C@H]1CCc2cc(N)ccc21 138067758 DZODLSYYJVFGGO-LBPRGKRZSA-N 248.326 2.781 0 30 BFAC NC1(C(=O)O)CCCCCCCCCC1 199886363 LJYONFUFYNWMGN-UHFFFAOYSA-N 213.321 2.683 0 30 BFAC CNc1nc(-c2ccccn2)nc(C)c1Cl 108761 XQVVWZJJBRCXOY-UHFFFAOYSA-N 234.690 2.542 0 30 BFAC CC(C)(C)c1ccccc1OCC(N)=S 5592673 NKRPDPRAHXESSK-UHFFFAOYSA-N 223.341 2.649 0 30 BFAC Clc1ccc(SNc2ncn[nH]2)cc1 6093159 YJJBKPSBOMZUGV-UHFFFAOYSA-N 226.692 2.577 0 30 BFAC Cc1cc(C)c(NC(=S)N(C)C)c(C)c1 13658981 SVJAAQDFSSLLLG-UHFFFAOYSA-N 222.357 2.870 0 30 BFAC C[C@@H]1C[C@@H](NC2=NCCS2)CC(C)(C)C1 18208429 CCPFNSMVVHWHSC-NXEZZACHSA-N 226.389 2.894 0 30 BFAC O=C1NC[C@@H](c2ccccc2)c2ccccc21 39221350 NGJFKRNZIPGFKZ-AWEZNQCLSA-N 223.275 2.562 0 30 BFAC NCc1cnc(Cc2cccc(Cl)c2)s1 40996524 LMXUFKWCLRDDHX-UHFFFAOYSA-N 238.743 2.846 0 30 BFAC CCc1c(CC(=N)OC)[nH]c2ccccc12 39101875 LPTNTIKPBNOBEU-UHFFFAOYSA-N 216.284 2.896 0 30 BFAC CCC(=O)Nc1ccc2c(c1)CCCC2=O 91352077 NFVWOGJZFNPTMR-UHFFFAOYSA-N 217.268 2.554 0 30 BFAC Cc1cccc(N[C@H]2CCO[C@@H]2C)c1C 96034005 SDRZGELBCIPKMX-YPMHNXCESA-N 205.301 2.893 0 30 BFAC in-vitro C=CC(=O)N[C@H](C)N(CCCC)CCCC 141809464 FDXADWWZNANSOF-LBPRGKRZSA-N 226.364 2.537 0 30 BFAC CCOc1ccc([C@H](C)N)c(OCC)c1 3705575 PQDHFPQPLHBKKY-VIFPVBQESA-N 209.289 2.504 0 30 BFAC COC(C)(C)CCC[C@@H](C)[C@H]1CCC(=O)O1 6036341 BZWMNDPUJKKIEE-GHMZBOCLSA-N 228.332 2.923 0 30 BFAC FC(F)(F)c1cccc(NC2CC2)n1 39325643 LQVNHNDZYRLLIT-UHFFFAOYSA-N 202.179 2.675 0 30 BFAC CCc1nc2ccc(C(=O)OC)cc2s1 45237848 WETNGWBWECGBRK-UHFFFAOYSA-N 221.281 2.645 0 30 BFAC CC(C)(N)c1ccccc1OC(F)(F)F 55196817 SYKWKOQMSIDWLT-UHFFFAOYSA-N 219.206 2.779 0 30 BFAC CCc1ccc([C@H](O)[C@H](C)NC(C)C)cc1 39102256 KLRBBLOVNQGRJO-SMDDNHRTSA-N 221.344 2.669 0 30 BFAC COc1ccc([C@H](C(=O)O)C(C)(C)C)cc1 59680871 JXOUAWPLIRNMAT-LLVKDONJSA-N 222.284 2.910 0 30 BFAC Fc1c(Br)ccc2c1CCCN2 216461248 CRRQCNSRVUYKRA-UHFFFAOYSA-N 230.080 2.946 0 30 BFAC O=C1CC[C@H]1c1cccc(Br)c1 238027835 LRENYOPIBCLDFZ-VIFPVBQESA-N 225.085 2.896 0 30 BFAC CCC(=O)[C@H]1CCCN(c2ccc(F)cc2)C1=O 1535191191 XOWJXPAWHRTKAX-GFCCVEGCSA-N 249.285 2.548 0 30 BFAC CC(C)(C)C12COC(c3ccccc3)(OC1)OC2 2244011 YXVNWLKUIGTVIH-UHFFFAOYSA-N 248.322 2.906 0 30 BFAC CC(C)=CCOc1cc2oc(=O)ccc2cc1O 3197449 AWEFUQDNSBBNCR-UHFFFAOYSA-N 246.262 2.844 0 30 BFAC biogenic,in-vitro COC(=O)Cc1csc2ccc(C)cc12 172251 ZXKVFSLMPZWEKJ-UHFFFAOYSA-N 220.293 2.925 0 30 BFAC CCOC(=O)c1ccncc1-c1cccc(N)c1 2524981 TWMXELYQVYARBK-UHFFFAOYSA-N 242.278 2.508 0 30 BFAC Oc1n[nH]c2c(Cl)cc(Cl)cc12 14985626 NOEFPHNWRCXXLC-UHFFFAOYSA-N 203.028 2.575 0 30 BFAC O=C1c2ccccc2C[C@H]1C(F)(F)F 38916858 UFHAZSIGRQHKKD-MRVPVSSYSA-N 200.159 2.604 0 30 BFAC CNc1ccc(Cl)nc1Br 220233207 OMGFNTOJEWGXCA-UHFFFAOYSA-N 221.485 2.539 0 30 BFAC CC(C)c1cc(F)c(C(=O)O)cc1F 2241478445 FLRRNSULXNINAV-UHFFFAOYSA-N 200.184 2.786 0 30 BFAC COc1cccc(-c2ccc(O)c(C=O)c2)c1 16946434 VGABTIBNYPSCEI-UHFFFAOYSA-N 228.247 2.880 0 30 BFAC O=C(O)C1C[C@@H]2CC[C@H](C1)C21SCCS1 3412895 ARWRLJKIYGMGBT-CBLAIPOGSA-N 244.381 2.684 0 30 BFAC CCN(C(N)=S)c1cccc2ccccc12 5316604 KIJJAHDWPAWNGH-UHFFFAOYSA-N 230.336 2.910 0 30 BFAC Nc1ncc(-c2ccc3c(c2)OCCCO3)s1 38069105 ZTCABBMLLYFGHL-UHFFFAOYSA-N 248.307 2.554 0 30 BFAC CC(=O)OC[C@@H]1C(C)=CC[C@H]2[C@H]1C2(C)C 111896646 MJGOVIGTDWZKNJ-WOPDTQHZSA-N 208.301 2.788 0 30 BFAC Brc1ccc2c(c1)NC[C@@H]1C[C@@H]21 258199401 KEGDLDNIVJWMKV-IMTBSYHQSA-N 224.101 2.978 0 30 BFAC Cn1c(=O)ccc2cc(C(F)(F)F)ccc21 1459 BSFJLMNFTBGXQE-UHFFFAOYSA-N 227.185 2.557 0 30 BFAC in-man CCCCC[C@@H](OC(C)=O)[C@@H]1CCCO1 5821018 ZCAFBBZXLGOTRK-NWDGAFQWSA-N 214.305 2.677 0 30 BFAC c1ccc2c(c1)NCC21CCN(CC2CC2)CC1 95616795 HKMYTIYJWMNUOM-UHFFFAOYSA-N 242.366 2.856 0 30 BFAC CC(C)(C)OC(=O)[C@H](N)C1CCCCCC1 136845499 ZTQUQGRSCLFRFM-LLVKDONJSA-N 227.348 2.626 0 30 BFAC FC(F)(F)Oc1ccc([C@H]2CCNC2)cc1 309310652 GSZQISCEDZZTGS-VIFPVBQESA-N 231.217 2.662 0 30 BFAC CC(C)[C@@H](O)[C@@H](C)C(=O)c1ccccc1 21996918 FTPHOAUCRXCRBV-ZYHUDNBSSA-N 206.285 2.522 0 30 BFAC Cc1ccc(C(N)=S)cc1C(F)(F)F 83349680 IDMHIXMMGBRRGJ-UHFFFAOYSA-N 219.231 2.648 0 30 BFAC CC(C)OC[C@@H](O)c1ccc(Cl)c(F)c1 86519647 LTCCTBWSRRHJDA-LLVKDONJSA-N 232.682 2.938 0 30 BFAC in-vitro c1ccc(CN2Cc3ccncc3C2)cc1 95093049 HTFXWAOSQODIBI-UHFFFAOYSA-N 210.280 2.597 0 30 BFAC Oc1ccc2c(c1)O[C@H](c1ccccc1)C[C@@H]2O 6581939 KYPVDKAIGIDYLB-KBPBESRZSA-N 242.274 2.949 0 30 BFAC CCCc1cc(=O)c2cccc(F)c2[nH]1 32099915 JZPNQIKHMCSDPX-UHFFFAOYSA-N 205.232 2.620 0 30 BFAC CC(C)(N)c1nc2cc(Cl)ccc2o1 40911470 SDRMDASSFLDLOI-UHFFFAOYSA-N 210.664 2.675 0 30 BFAC Cn1nccc1[C@@H](O)C12CC3CC(CC(C3)C1)C2 69467005 LVPKFSSLNPSSEY-WINGCZCQSA-N 246.354 2.670 0 30 BFAC in-vitro Cc1ncccc1C(=O)Nc1ccc(F)cc1 82324258 VQFHMVYEDWSXMO-UHFFFAOYSA-N 230.242 2.781 0 30 BFAC O=C(O)C(F)(F)Oc1ccc(Cl)c(F)c1 134369092 JTDMNCAXPBHGAA-UHFFFAOYSA-N 240.564 2.535 0 30 BFAC Brc1nc(C2CCOCC2)cs1 258274479 CCTXPIBLWQVCLR-UHFFFAOYSA-N 248.145 2.800 0 30 BFAC CC(C)(O)[C@@H](N)c1ccc(Cl)c(Cl)c1 259343549 JLKBDHSQFUJBKX-VIFPVBQESA-N 234.126 2.764 0 30 BFAC CNC(=O)Oc1cc(C)ccc1C(C)C 2038221 OWKQRPRYKIPYIG-UHFFFAOYSA-N 207.273 2.837 0 30 BFAC CSCCNC(=O)Nc1ccc(Cl)cc1 2158803 HSDJOZPVIFNVKL-UHFFFAOYSA-N 244.747 2.825 0 30 BFAC C[C@@H]1CC[C@@]2(O1)C(C)(C)CCC[C@@]2(C)O 5735747 LJOISVFAMDWVFA-RAIGVLPGSA-N 212.333 2.885 0 30 BFAC endogenous,in-man Cc1[nH]c2cc(Cl)ccc2c1CCN 20269409 MWCYFKKXSGMXSL-UHFFFAOYSA-N 208.692 2.631 0 30 BFAC CCc1cc2ccc(C(=O)OC)cc2[nH]1 96321318 DETYGYFLEMGFIB-UHFFFAOYSA-N 203.241 2.517 0 30 BFAC in-vitro Cc1cc2c(c(C(=O)O)c1C)CCCC2 238542461 WAEMYDMEPZEMHF-UHFFFAOYSA-N 204.269 2.880 0 30 BFAC CC(F)(F)c1cccc(-c2cc(N)[nH]n2)c1 258400146 KKJYGZFSLNDUFZ-UHFFFAOYSA-N 223.226 2.771 0 30 BFAC CCOP(=O)(OCC)c1ccc(F)cc1 21987000 QEDFAKHSYNQHGG-UHFFFAOYSA-N 232.191 2.717 0 30 BFAC CCCCN(CCN)Cc1cccc(Cl)c1 42691014 DDYCTQFUKZCYMG-UHFFFAOYSA-N 240.778 2.901 0 30 BFAC CC[C@@]1(C(=O)O)CCCc2ccccc21 54633901 BKXUSWUZCVUOFF-CYBMUJFWSA-N 204.269 2.755 0 30 BFAC C[C@H](C(=O)O)c1cc(F)cc(Br)c1 84567040 KIRAKWLVDHLCMN-YFKPBYRVSA-N 247.063 2.776 0 30 BFAC CCn1nc(-c2ccc(C)cc2)c2c1NCC2 3707790 FTXGPSJCFDZAOM-UHFFFAOYSA-N 227.311 2.846 0 30 BFAC CCc1ccc(C)[n+](Cc2ccccc2)c1 38645252 WQTKFEKJWRWKQC-UHFFFAOYSA-N 212.316 2.893 0 30 BFAC COCC[C@@H](N)c1cccc(C(F)(F)F)c1 53816435 OOCWVYDNWHLHQJ-SNVBAGLBSA-N 233.233 2.742 0 30 BFAC CN(C(=O)c1cccs1)[C@@H]1C[C@H]2C=C[C@H]1C2 100239647 VKFNIERQIFCMNR-GARJFASQSA-N 233.336 2.785 0 30 BFAC Oc1cnn(Cc2ccccc2C(F)(F)F)c1 257853588 AFKXMELXFVZADA-UHFFFAOYSA-N 242.200 2.656 0 30 BFAC CC(C)N[C@H](C)[C@@H](C)[C@@H](O)c1ccccc1 32230929 SYBPCAQOIBYYBB-YRGRVCCFSA-N 221.344 2.743 0 30 BFAC NC[C@@H](OC1CCC1)c1cccc(Cl)c1 50519285 FRCWFEVMKIVOFJ-GFCCVEGCSA-N 225.719 2.909 0 30 BFAC O=C(O)C[C@H]1CCCCN1c1ccccc1 82366571 OPPFPFYRVRNYNS-GFCCVEGCSA-N 219.284 2.520 0 30 BFAC O=C1CC=Nc2cc(Br)ccc21 100048156 AHMUJKMVYLNJJC-UHFFFAOYSA-N 224.057 2.738 0 30 BFAC in-vitro CC(C)C(=O)[C@@H]1CC[C@]2(C)CCC(=O)C=C12 223664743 ORJUTLLEFWUPNP-RISCZKNCSA-N 220.312 2.917 0 30 BFAC O=C(O)[C@H]1CCC[C@@H]1C(=O)c1cccc(F)c1 83328522 YWYRHYHQPXIURO-QWRGUYRKSA-N 236.242 2.509 0 30 BFAC CCc1nc2ccccc2nc1N1CCCC1 116929 XLVGFMMUVAAJSR-UHFFFAOYSA-N 227.311 2.792 0 30 BFAC CC(C)=Cc1nc2cccc(F)c2c(=O)o1 166415 QWVLVMSQTRLECX-UHFFFAOYSA-N 219.215 2.750 0 30 BFAC CN[C@@H]1CCc2cc(Br)ccc2C1 82491243 HLHBGIWMLLVEGK-LLVKDONJSA-N 240.144 2.526 0 30 BFAC OCCN1Cc2ccccc2[C@H]1c1ccccc1 22010961 PNVBVIRIZTVNSG-MRXNPFEDSA-N 239.318 2.584 0 30 BFAC COC(=O)Oc1cccc(C(F)(F)F)c1 32220430 BOIFGTBGCZKOCV-UHFFFAOYSA-N 220.146 2.851 0 30 BFAC Cc1ccc(-n2[nH]c3ccc(C)cc3c2=O)cc1 32263840 CDGCHPSQYGKSSW-UHFFFAOYSA-N 238.290 2.936 0 30 BFAC COC(=O)c1scc(C)c1-n1cccc1 81989 GFINFHUMZPIJEB-UHFFFAOYSA-N 221.281 2.634 0 30 BFAC CNc1ccccc1C(=O)Nc1nc(C)cs1 6815411 ZNUHIGPZSMYHOG-UHFFFAOYSA-N 247.323 2.746 0 30 BFAC O=C1Nc2cccnc2Nc2ccc(F)cc21 34617225 JAEZSHWQCLCWMX-UHFFFAOYSA-N 229.214 2.530 0 30 BFAC O=C(O)[C@H](c1cccnc1)C1CCCCC1 83010701 OOXAKMFDZKNVTF-LBPRGKRZSA-N 219.284 2.830 0 30 BFAC CCCCC[C@H](N)CCCCC(=O)O 33607561 JTCAFTOXSIHBFL-JTQLQIEISA-N 201.310 2.539 0 30 BFAC Cc1cc(C[C@H]2CCCC[C@H]2N)ccc1N 33609113 CRHCRZNTDDWSCP-TZMCWYRMSA-N 218.344 2.637 0 30 BFAC CCN(CC)CC(=O)NC(C)(C)CC(C)(C)C 33638478 UPXOZUQTOHSCEZ-UHFFFAOYSA-N 242.407 2.659 0 30 BFAC O=C(O)c1cccc(C(=O)c2ccc(F)cc2)c1 49831670 ZNQSGQLFBJOJPZ-UHFFFAOYSA-N 244.221 2.755 0 30 BFAC Clc1cnc2cccc(Br)n12 66322801 SFSIUESCHSTXCI-UHFFFAOYSA-N 231.480 2.750 0 30 BFAC in-vitro Cc1c(Br)[nH]c2c1C(=O)CCC2 141253567 LONQLMPIHRATJX-UHFFFAOYSA-N 228.089 2.605 0 30 BFAC Brc1nc(Cc2ccccc2)c[nH]1 237978285 RDRKOSZTWHSEBC-UHFFFAOYSA-N 237.100 2.763 0 30 BFAC CC(C)(C)OC(=O)N[C@@H]1CC(=O)[C@H]1C(C)(C)C 2265385352 MQRUSPAMPHAQKW-SCZZXKLOSA-N 241.331 2.515 0 30 BFAC C[C@@H](Nc1ccccc1C(F)(F)F)C(=O)O 43626034 WWKVBESFUCDSGW-ZCFIWIBFSA-N 233.189 2.590 0 30 BFAC COc1cc(Cl)c2c(c1)C(=O)CCC2 54741731 BYKPMJJNUKHTNP-UHFFFAOYSA-N 210.660 2.868 0 30 BFAC CCN(CC)C(=O)Nc1ccc(N)c(Cl)c1 123721147 KCSCDAKJJSPFQS-UHFFFAOYSA-N 241.722 2.796 0 30 BFAC COc1cc(C(C)=O)ccc1C(F)(F)F 215965589 HWEDAGHPXJCDJV-UHFFFAOYSA-N 218.174 2.917 0 30 BFAC O=C(OCc1ccccc1)N1CC[C@@H]2C[C@@H]2C1 306653522 HADJFVKEALYXRG-CHWSQXEVSA-N 231.295 2.665 0 30 BFAC O=C(O)c1cc2c(cc1Br)CCC2 521401602 LIKOUWURNAYHTN-UHFFFAOYSA-N 241.084 2.636 0 30 BFAC CN1c2ccccc2C(=O)N[C@@H]1[C@H]1CC=CCC1 4299818 KYUVQEQHOIPTET-FZMZJTMJSA-N 242.322 2.549 0 30 BFAC Cc1ccccc1CNCCC(=O)OC(C)(C)C 174431068 OICZPCKAHPPNHU-UHFFFAOYSA-N 249.354 2.816 0 30 BFAC O=Cc1cc(Br)sc1Cl 39254695 PYESNBLXILKHCY-UHFFFAOYSA-N 225.494 2.977 0 30 BFAC CC[C@H](C)Oc1nc(O[C@H](C)CC)ncc1F 40443062 NDYGUHTXPWPXGR-DTWKUNHWSA-N 242.294 2.970 0 30 BFAC FC(F)(F)c1nc2c(Cl)nccc2[nH]1 90495576 BWQQJCVCKGTDPR-UHFFFAOYSA-N 221.569 2.630 0 30 BFAC C[C@@H](O)c1ccc2c(c1)CCC(C)(C)O2 214742994 RUTIRHGKMLWGQH-SECBINFHSA-N 206.285 2.844 0 30 BFAC biogenic CC(=O)Oc1ccc(Cl)c(Cl)c1 2382698 OSKGYRIYNMZFSJ-UHFFFAOYSA-N 205.040 2.919 0 30 BFAC biogenic CCOC(=O)[C@@]1(C(C)=O)CC=C(C)C[C@H]1C 5857804 IBMDADQQJZKLJI-MFKMUULPSA-N 224.300 2.501 0 30 BFAC CN[C@H]1CCOc2c(Cl)cc(F)cc21 37901976 DBDJBEMXEKLFFD-VIFPVBQESA-N 215.655 2.522 0 30 BFAC Cc1nc(CN)oc1-c1ccc(Cl)cc1 41241753 UKQPXMCCYSGFEO-UHFFFAOYSA-N 222.675 2.762 0 30 BFAC in-vitro Clc1ccc2nc(Br)cn2c1 89201673 RSIHTUNJLZLPMQ-UHFFFAOYSA-N 231.480 2.750 0 30 BFAC Cc1cc(I)sc1C 199103386 AUTQLNMIEIGMFD-UHFFFAOYSA-N 238.093 2.970 0 30 BFAC CCOC(=O)c1cccnc1-c1ccc(O)cc1 1241060760 MKIBYKISDUFEIN-UHFFFAOYSA-N 243.262 2.631 0 30 BFAC CCc1cc(CC)n(-c2ccc(N)cc2C)n1 39102894 XGVUNQYWNSRAKE-UHFFFAOYSA-N 229.327 2.888 0 30 BFAC CN[C@@H](CSC)c1ccccc1Cl 54495881 QYZWQSKIOGSHPI-JTQLQIEISA-N 215.749 2.964 0 30 BFAC N=[S@](=O)(c1ccccc1F)C(F)(F)F 1535641979 VVXFXAJJCRVHEH-AWEZNQCLSA-N 227.182 2.751 0 30 BFAC COc1ccc2c(c1)C[C@H](C(C)C)CN2 11633309 JUPSTCXLRFVYBY-NSHDSACASA-N 205.301 2.935 0 30 BFAC COC(=O)c1ccc2c(c1C)CCCC2 39105272 NCHQZUUBIFDOPY-UHFFFAOYSA-N 204.269 2.660 0 30 BFAC CC1(C)NCC[C@H]1c1ccc(F)c(F)c1 51954830 IHFFCSQPJZRAHI-VIFPVBQESA-N 211.255 2.820 0 30 BFAC COC(=O)c1ccc(C)c(C)c1Br 59237119 DNUFRSWMGHFSJQ-UHFFFAOYSA-N 243.100 2.853 0 30 BFAC CC1=CC[C@H]([C@H](C)CP(=O)(O)O)CC1 5767137 QBOXAKWKMIZAPC-ZJUUUORDSA-N 218.233 2.547 0 30 BFAC C[C@H](c1ccccc1)n1cccc1C(=O)O 35431411 BFLKSSGFEWKBMW-SNVBAGLBSA-N 215.252 2.796 0 30 BFAC O=C(O)Cc1cccc(CC(F)(F)F)c1F 91692992 LAUVBOCWKVVXDJ-UHFFFAOYSA-N 236.164 2.558 0 30 BFAC C[C@@H]1C2=NC[C@H](C)CN2c2ccccc21 100268761 QHOSWFBLBCVOGE-UWVGGRQHSA-N 200.285 2.658 0 30 BFAC c1ccc(CN2CC[C@H]3CCCO[C@@H]3C2)cc1 306631261 NAONCAAJZIXQIV-HUUCEWRRSA-N 231.339 2.688 0 30 BFAC in-vitro Cc1cc(-c2noc(-c3ccccc3)n2)no1 123457 HUCFXKSFIOXIRS-UHFFFAOYSA-N 227.223 2.700 0 30 BFAC Oc1ccc2c(c1)O[C@@H](c1ccccc1)C[C@@H]2O 3606202 KYPVDKAIGIDYLB-UONOGXRCSA-N 242.274 2.949 0 30 BFAC CCCCCNC[C@@H]1COc2ccccc2O1 5512743 XWNMXSFEFMAVBT-GFCCVEGCSA-N 235.327 2.606 0 30 BFAC CC(=O)C(=CN(C)C)c1ccc(Cl)cc1 6856606 NQEZMSRBECRTMN-UHFFFAOYSA-N 223.703 2.832 0 30 BFAC CC(=O)[C@@H]1CCC(C)=C2CC=C(C)[C@H]2[C@@H]1O 32197672 BJBCTBYMHHQRTO-BFHYXJOUSA-N 220.312 2.629 0 30 BFAC CC(C)N[C@H](C)[C@@H](C)[C@H](O)c1ccccc1 141492748 SYBPCAQOIBYYBB-BZPMIXESSA-N 221.344 2.743 0 30 BFAC C[Si](C)(C)N1N=N[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 195766686 WMHDGAHLMMBTDA-AATLWQCWSA-N 209.369 2.671 0 30 BFAC Cc1c(CC(=O)N(C)C)sc2ccccc12 172248 VFSMLEAERGPJDI-UHFFFAOYSA-N 233.336 2.840 0 30 BFAC Cc1cc(Cl)ccc1SCC(=O)O 2041182 GREQGIILILTWOH-UHFFFAOYSA-N 216.689 2.825 0 30 BFAC CC(C)(C(=O)O)c1cscc1Cl 606277397 YQOYYRAJKJAKMR-UHFFFAOYSA-N 204.678 2.764 0 30 BFAC CN1C(=O)SC(=CC=Cc2ccccc2)C1=O 2265279123 IGXHINBGLNQNOR-UHFFFAOYSA-N 245.303 2.909 0 30 BFAC CCCCOC(=O)CC[C@H]1CCCCC1=O 5821379 AISJENNWEMLKIH-LLVKDONJSA-N 226.316 2.869 0 30 BFAC O=C(CF)c1ccccc1Br 39055691 NYUJOUGJDWFFOY-UHFFFAOYSA-N 217.037 2.601 0 30 BFAC Cc1ccccc1[C@H](N)C(=O)c1ccccc1 39135101 LXFYXRHIHOSGGM-AWEZNQCLSA-N 225.291 2.878 0 30 BFAC CC(C)n1nc(-c2ccccc2)cc1C(=O)O 71495083 BIZIGKJKZFVXTM-UHFFFAOYSA-N 230.267 2.829 0 30 BFAC C[Si](C)(Cc1ccccc1)c1cccnc1 197991434 JVKUPJOIZXAQQE-UHFFFAOYSA-N 227.383 2.779 0 30 BFAC CNCCC=C1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 2265293951 PLAAGZRTSKLAQX-MPZDIEGVSA-N 205.345 2.978 0 30 BFAC Fc1cc(F)cc(Cn2cc[nH]c2=S)c1 13776330 WPMVQUHUCQAOBU-UHFFFAOYSA-N 226.251 2.872 0 30 BFAC CCOP(=O)(Cc1ccncc1)OCC 34178280 IHGJNTGEJAJEKD-UHFFFAOYSA-N 229.216 2.848 0 30 BFAC Oc1ccc(CN2CCCC2)c(Cl)c1 149461514 CAWIWBGGBCZHQR-UHFFFAOYSA-N 211.692 2.641 0 30 BFAC CC(C)(O)C(=O)c1ccc(C(C)(C)C)cc1 5355323 JHXJMPVUVKIGKC-UHFFFAOYSA-N 220.312 2.938 0 30 BFAC CCC[C@@](O)(CCc1ccccc1)CC(=O)O 33962157 QUCVMTKZXVHNNT-CQSZACIVSA-N 236.311 2.625 0 30 BFAC CCCCCN(CCN)Cc1ccccc1 38033245 UGTQBOYTYZOQTK-UHFFFAOYSA-N 220.360 2.638 0 30 BFAC CC(C)Oc1ccccc1C1(N)CCC1 705004165 LJQUWHQBTMEYHT-UHFFFAOYSA-N 205.301 2.812 0 30 BFAC NC(=O)Nc1cccc2c3c([nH]c12)CCCC3 33852768 NNKZDSOFOBWHNV-UHFFFAOYSA-N 229.283 2.537 0 30 BFAC COc1ccc(Br)c(C)c1F 75838556 IGBLRMMARKVIRO-UHFFFAOYSA-N 219.053 2.905 0 30 BFAC C[C@@H](C(=O)O)c1ncc(Cl)cc1Cl 126310761 UGWREXJFDAQOOB-SCSAIBSYSA-N 220.055 2.577 0 30 BFAC Nc1nc(Cl)c2ccc(Cl)cc2n1 215718587 MJTPWERTWXXQNM-UHFFFAOYSA-N 214.055 2.519 0 30 BFAC CCO[C@@H]1CC(=O)[C@H]1Sc1ccccc1 299805397 MKUPOHYPSQWSHF-VXGBXAGGSA-N 222.309 2.525 0 30 BFAC OCC1(c2cccc(C(F)(F)F)c2)CC1 95642090 PFNGEYYMNCLHHG-UHFFFAOYSA-N 216.202 2.729 0 30 BFAC CS[C@H](F)C(=O)c1ccc(F)cc1F 39054626 PIMOSMGCEZXNKN-VIFPVBQESA-N 220.215 2.806 0 30 BFAC CCCC[C@H]1CC(=O)C[C@@H]1CC(=O)OCC 114351606 KJSWNAOSCNRYLQ-WDEREUQCSA-N 226.316 2.725 0 30 BFAC CC(C)(C)OC(=O)[C@@H]1CNc2ccccc2C1 139171009 QZMVYMXMKOCSCX-NSHDSACASA-N 233.311 2.613 0 30 BFAC Cc1ccc(CSC2=NCCCN2)cc1 144273 YULJXXHXWYNJMQ-UHFFFAOYSA-N 220.341 2.578 0 30 BFAC CCOP(=O)(OCC)[C@@H](C(C)C)N(C)C 31719634 HQMLADKXOBVELJ-JTQLQIEISA-N 237.280 2.796 0 30 BFAC CCCN(CCC)[C@H]1CCc2cccn2C1 33903548 JLTVNRULFIBVDV-AWEZNQCLSA-N 220.360 2.925 0 30 BFAC Cc1cc(C)n2nc(N)c(-c3ccccc3)c2n1 36047417 BAVZQQUAYPVPCM-UHFFFAOYSA-N 238.294 2.595 0 30 BFAC Cc1c(C(=O)O)cc(C2CCCC2)n1C 75132883 OWQYKBNQWSTBEL-UHFFFAOYSA-N 207.273 2.689 0 30 BFAC Clc1ccc(Br)c2c1CNC2 238582293 ZZKVXMUNJMIVAN-UHFFFAOYSA-N 232.508 2.706 0 30 BFAC Cc1cc(O)cc(OC(=O)c2ccccc2)c1 21985642 HYLQICWQHBSZQZ-UHFFFAOYSA-N 228.247 2.920 0 30 BFAC N[C@H](c1ccccc1)c1nc2ccccc2o1 26515009 FGVNWEYDFMDJSJ-CYBMUJFWSA-N 224.263 2.876 0 30 BFAC Fc1cc(Br)c2c(c1)CCN2 36336208 JQXHUCPLRPTHKR-UHFFFAOYSA-N 216.053 2.556 0 30 BFAC Clc1c[nH]c2ccc(Br)nc12 44712849 PKPLQEFEMFNDGJ-UHFFFAOYSA-N 231.480 2.979 0 30 BFAC c1csc([C@H]2CNCC3(CCCC3)O2)c1 83460685 HNHXUCYPSYNCMQ-SNVBAGLBSA-N 223.341 2.722 0 30 BFAC CSc1nncc(-c2ccc(Cl)cc2)n1 91318 YTYDLEUAHPVYPQ-UHFFFAOYSA-N 237.715 2.914 0 30 BFAC O=C(c1ccco1)N1N=CC[C@H]1c1ccccc1 33901045 ADDVAAPVTQYGAM-LBPRGKRZSA-N 240.262 2.853 0 30 BFAC Brc1ccccc1C[C@@H]1CCCN1 69841607 AZQJWMRIFFFWIU-JTQLQIEISA-N 240.144 2.744 0 30 BFAC CC(C)(C)OC(=O)N1CCC2(CC1)CS2 138442045 UDJDJFYVGCOSDZ-UHFFFAOYSA-N 229.345 2.503 0 30 BFAC Brc1nc([C@H]2CCCOC2)cs1 258982866 SNLADRDPGOTTMN-LURJTMIESA-N 248.145 2.800 0 30 BFAC Nc1ccc(-c2ccc3[nH]ccc3c2)cn1 75878040 GVEARSBNZALCEU-UHFFFAOYSA-N 209.252 2.812 0 30 BFAC CC(C)(C)OC(=O)CCc1cccc(N)c1 87780486 PAXUMWVHPFOIIP-UHFFFAOYSA-N 221.300 2.543 0 30 BFAC in-vitro O=C1CC[C@H]1c1ccccc1Br 237961365 PVIVRRMYFDHNRC-QMMMGPOBSA-N 225.085 2.896 0 30 BFAC CN(Cc1ccc(O)cc1)C(=O)OC(C)(C)C 38092231 YTCDWGLUXZFVDD-UHFFFAOYSA-N 237.299 2.759 0 30 BFAC CCn1nc(CC(C)C)c2c1NCCCC2 3697891 KNYZMWRBBPJFIB-UHFFFAOYSA-N 221.348 2.850 0 30 BFAC Cc1ccc(CCO)cc1C(F)(F)F 44380713 PIJUUFFLUWLVHP-UHFFFAOYSA-N 204.191 2.549 0 30 BFAC FC(F)(F)Oc1cccc([C@@H]2CCNC2)c1 309543547 HVWNWEKZBJRTEE-SECBINFHSA-N 231.217 2.662 0 30 BFAC N[C@@H]1CN(Cc2ccccc2)C2(CCCC2)C1 1554770470 LOKQKEKVEZJMDA-AWEZNQCLSA-N 230.355 2.532 0 30 BFAC COc1cccc(OC[C@H](N)c2ccccc2)c1 22562581 MUUVERQZWYRXNM-HNNXBMFYSA-N 243.306 2.774 0 30 BFAC CNc1ccccc1C(=O)OC(C)(C)C 37729894 ZFLKIKACWKXDJT-UHFFFAOYSA-N 207.273 2.684 0 30 BFAC N[C@@H](CNc1ccccc1)Cc1ccccc1 40397818 UEPNHSRXHMEFDU-CQSZACIVSA-N 226.323 2.669 0 30 BFAC NC1(CNc2ccccc2)CCCCC1 40397876 HGAWWALCLZTJFN-UHFFFAOYSA-N 204.317 2.760 0 30 BFAC C[C@H]1Cc2cc(Br)cc(F)c2CN1 70653043 TUBYECOVRSUIGJ-LURJTMIESA-N 244.107 2.622 0 30 BFAC Oc1ccc(Br)c2occc12 144165018 FBRZSXTZTFEGLC-UHFFFAOYSA-N 213.030 2.901 0 30 BFAC in-vitro O=C1NC[C@H](c2ccccc2)Oc2ccccc21 173742 UADLSBYXTMUWIV-CQSZACIVSA-N 239.274 2.550 0 30 BFAC CC1(C)[C@H](C(=O)O)[C@@]12C=Cc1ccccc12 5765323 RXTAQAPVUFGHOU-FZMZJTMJSA-N 214.264 2.692 0 30 BFAC COc1c(Br)ccnc1Cl 238400673 MFNSBFZDQSQIKF-UHFFFAOYSA-N 222.469 2.506 0 30 BFAC in-vitro NC1CCN(c2ccccc2C(F)(F)F)CC1 19504025 PBMNBZLQVUBWEE-UHFFFAOYSA-N 244.260 2.633 0 30 BFAC CC(=O)OC[C@H]1CCc2cc3ccccc3n2C1 34451494 RFBARYYIFKYGNM-LBPRGKRZSA-N 243.306 2.767 0 30 BFAC CCOC(=O)C[C@H](C)N[C@@H](C)c1ccccc1 43617165 XKHBBOVJRPEKHW-RYUDHWBXSA-N 235.327 2.679 0 30 BFAC Cc1ccsc1[C@H]1NCCc2cc(O)ccc21 3703053 GVKJZNFCIMFTCK-ZDUSSCGKSA-N 245.347 2.997 0 30 BFAC Cc1ccc(C)c(N2C(=O)CCC2=S)c1 33802198 YUQKWMGNPYHDLH-UHFFFAOYSA-N 219.309 2.758 0 30 BFAC Clc1ccc(-c2nc3c(o2)CCNC3)cc1 95642241 IDWRKGLFHGZIBB-UHFFFAOYSA-N 234.686 2.641 0 30 BFAC Cc1ccc(NC2CCOCC2)cc1C 36304011 WQYIUTPKSALAEJ-UHFFFAOYSA-N 205.301 2.894 0 30 BFAC CC(C)Oc1cc(Cl)nc(Cl)n1 91363863 BYQRVCCQVPPTNK-UHFFFAOYSA-N 207.060 2.571 0 30 BFAC OCc1cc(Br)c(F)cc1Cl 198447178 CHPWRRHCRKHEEY-UHFFFAOYSA-N 239.471 2.734 0 30 BFAC N=c1nc(C=Cc2c(F)cccc2Cl)cc[nH]1 2265276520 SWKHKEBWLGTDBU-UHFFFAOYSA-N 249.676 2.852 0 30 BFAC Cc1ccc(C(=O)[C@H](N)c2ccccc2)cc1 39135103 XOUOQGQVAFVHOL-CQSZACIVSA-N 225.291 2.878 0 30 BFAC O=C1N[C@H]([C@H]2CC=CCC2)Nc2ccccc21 150120 KORVABRTGPOWDA-GXFFZTMASA-N 228.295 2.524 0 30 BFAC Cc1cncc2[nH]cc(Br)c12 44713217 CHALJLZFEWGWLN-UHFFFAOYSA-N 211.062 2.634 0 30 BFAC CCOC(=O)/C=C1\CCc2c(OC)cccc21 143306199 NFEBEDXDWGJQMK-MDZDMXLPSA-N 232.279 2.588 0 30 BFAC O=C1[C@@H]2CC=C[C@H]2[C@H]1Sc1ccccc1 299803239 CRPULFVUVYYWLO-NQBHXWOUSA-N 216.305 2.922 0 30 BFAC COC(=O)c1sc(-c2ccccc2)nc1C 40408838 VHJZCEJBOOOTIS-UHFFFAOYSA-N 233.292 2.905 0 30 BFAC CC(=O)c1ccc(OCc2ccccc2)cn1 59756252 UMNJTLCRUSCDEW-UHFFFAOYSA-N 227.263 2.863 0 30 BFAC in-vitro O=C(O)C(F)(F)c1cccc(Cl)c1F 131741081 QKYNSYWIMLRVIO-UHFFFAOYSA-N 224.565 2.656 0 30 BFAC O[C@@H]1CCCc2cc(Br)ccc21 140716138 RFYHJMTWWYDROP-SNVBAGLBSA-N 227.101 2.819 0 30 BFAC CN1OC[C@@H]2COc3ccc4ccccc4c3[C@H]21 254815739 DAIVVDAWQFQQDF-NHYWBVRUSA-N 241.290 2.767 0 30 BFAC Clc1ncc(CNC2CCCC2)s1 718210263 AHXCRRLDRDSDPH-UHFFFAOYSA-N 216.737 2.829 0 30 BFAC CC(C)S(=O)(=O)c1cscc1Cl 125139 IOZZDGCOTAVBRK-UHFFFAOYSA-N 224.734 2.584 0 30 BFAC CCCCc1c(O)c2ccccc2oc1=O 3957574 FLWPSVWWYHCQSL-UHFFFAOYSA-N 218.252 2.841 0 30 BFAC CCCCOC(=O)CC[C@@H]1CCCCC1=O 5821376 AISJENNWEMLKIH-NSHDSACASA-N 226.316 2.869 0 30 BFAC Nc1nccc(/C=C/c2ccc(Cl)cc2)n1 4323311 SLOHOIHDYJQRHM-ZZXKWVIFSA-N 231.686 2.883 0 30 BFAC C[C@@H]1CCCN1c1ccc(Br)cn1 42376591 JIFDQQBERRVXFT-MRVPVSSYSA-N 241.132 2.833 0 30 BFAC CC(C)(C)Cn1ccc(Br)n1 713236027 LKHQRIJWOOTISF-UHFFFAOYSA-N 217.110 2.692 0 30 BFAC c1ccc2c(c1)CN1C3CCC(CC3)N1C2 19170883 WDRXTJPOLWBIGQ-UHFFFAOYSA-N 214.312 2.544 0 30 BFAC O=C(O[C@H]1CC=CCC1)c1ccccc1 34371078 JKJCJPNWWRTYMA-LBPRGKRZSA-N 202.253 2.952 0 30 BFAC Cc1ccccc1[C@@H](N)C(=O)c1ccccc1 39135102 LXFYXRHIHOSGGM-CQSZACIVSA-N 225.291 2.878 0 30 BFAC C[C@H]1CNC[C@H]1c1ccc(Br)cc1 77385618 QXUJIOLCDXSPIW-GZMMTYOYSA-N 240.144 2.772 0 30 BFAC CC(C)(C)OC(=O)n1cnc(C(F)(F)F)c1 95642759 LHYRRUSAASDSKM-UHFFFAOYSA-N 236.193 2.685 0 30 BFAC CCOC(=O)CCc1c(F)cc(F)cc1F 106490612 NQDLQWQIEGUNLJ-UHFFFAOYSA-N 232.201 2.600 0 30 BFAC Oc1ccc2c(c1)CCN[C@H]2c1ccc(F)cc1 3728013 LVSYRPGEEICBFX-HNNXBMFYSA-N 243.281 2.766 0 30 BFAC biogenic CC1(C)CC(NC2CCCC2)CC(C)(C)N1 20143109 WUWJNVZUYIEHQS-UHFFFAOYSA-N 224.392 2.828 0 30 BFAC CNCc1ccc(F)c(C(F)(F)F)c1 43566554 AAMOYXXJPGBVDP-UHFFFAOYSA-N 207.170 2.564 0 30 BFAC Cc1ccc(F)cc1C(C)(C)CC(=O)O 86336239 DCCLHALCAVPUCC-UHFFFAOYSA-N 210.248 2.886 0 30 BFAC CN1CCC2=Cc3ccccc3S[C@H]2C1 1070084388 JASQBQWOANDAND-ZDUSSCGKSA-N 217.337 2.880 0 30 BFAC C[C@H](CN)C(O)(c1ccccc1)c1ccccc1 2019294 XGYCHIPEPHYUIH-CYBMUJFWSA-N 241.334 2.517 0 30 BFAC CC(C)(C)Sc1ccc(C(N)=S)cn1 82164527 OSBQNTBWBYOGPF-UHFFFAOYSA-N 226.370 2.606 0 30 BFAC in-vitro CCc1cccc(NC[C@@H]2CCCNC2)c1 87646076 NTDIAMGZTUIERS-CYBMUJFWSA-N 218.344 2.661 0 30 BFAC FC(F)(F)c1cccc2c1OCCN2 8699800 GFPMHIXFAJFZCJ-UHFFFAOYSA-N 203.163 2.510 0 30 BFAC in-vitro O=C(O)Cc1c[nH]c2c(C(F)(F)F)cccc12 11920393 UTUCJDWIGPKRJH-UHFFFAOYSA-N 243.184 2.814 0 30 BFAC c1cc2c(cc1-c1ccc3c(c1)OCO3)OCO2 21999242 TYTYRRYKPAKXPF-UHFFFAOYSA-N 242.230 2.811 0 30 BFAC O=Cc1ccccc1-c1ccc(CC(=O)O)cc1 26544394 ASRJPOINUBQHCE-UHFFFAOYSA-N 240.258 2.793 0 30 BFAC CC[C@@H](C)Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-] 32237861 MDXPRXYGYOMMKQ-SSDOTTSWSA-N 239.231 2.713 0 30 BFAC C[C@@H](CO)c1ccc(Br)cc1 41227996 RXLUPCQYFPVVKS-ZETCQYMHSA-N 215.090 2.545 0 30 BFAC in-vitro OCCCc1cc(Cl)sc1Cl 44383852 RGTUTHZOWCKZGB-UHFFFAOYSA-N 211.113 2.980 0 30 BFAC CCCc1ccc(C(=O)C=CN(C)C)cc1 83315431 PAYSLIIMGZMPOJ-UHFFFAOYSA-N 217.312 2.897 0 30 BFAC CC(C)CCOC(=O)/C=C\c1ccco1 17326016 XAPDJXISYPRRFW-WAYWQWQTSA-N 208.257 2.882 0 30 BFAC C[C@@H](N)c1cccc(OCc2ccccn2)c1 22168101 CDADKDUGURSPFG-LLVKDONJSA-N 228.295 2.680 0 30 BFAC in-vitro CC[C@@H](N)COc1c(C)cc(C)cc1C 39105587 FHUXTNTUEVVVBW-GFCCVEGCSA-N 207.317 2.728 0 30 BFAC CC(C)(CN)c1coc(-c2ccccc2)n1 118361682 CPZPWDHNPCCSNK-UHFFFAOYSA-N 216.284 2.578 0 30 BFAC CC(F)(F)c1cc(Br)ccn1 216202811 BMCBDENNZYHLCC-UHFFFAOYSA-N 222.032 2.956 0 30 BFAC C[C@@H]1CC[C@@H](N)[C@H](OCc2ccccc2)C1 37981121 UGYBEWNJUUMWOL-MRVWCRGKSA-N 219.328 2.719 0 30 BFAC CC(C)C(=O)O[C@@H]1C=C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]12 309158810 XEWHAZXTDUYYBY-YYHQMBLXSA-N 220.312 2.786 0 30 BFAC CNCc1ccc(COc2ccccc2)cc1 12370756 PSMWUOSOWNRPOJ-UHFFFAOYSA-N 227.307 2.985 0 30 BFAC in-vitro c1ccc2c(CN[C@@H]3CCCNC3)cccc2c1 52060857 IFAAZGLVJDLQDT-OAHLLOKOSA-N 240.350 2.681 0 30 BFAC COc1cc(OC)c2c(OC)cc(OC)cc2c1 38264362 KDLIYXYCQGGYNO-UHFFFAOYSA-N 248.278 2.874 0 30 BFAC CCOC(=O)/C=C/c1c(N)ccc(Cl)c1F 1848349944 SWJVRILNDZQPLQ-ZZXKWVIFSA-N 243.665 2.638 0 30 BFAC Cn1c(-c2ccccc2)nc2c1CCCC2 22000605 NXLMQBQPYJXVBU-UHFFFAOYSA-N 212.296 2.966 0 30 BFAC Nc1cc(F)c(N2CCCCC2)c(F)c1 38039804 CKKZUIOLIHARES-UHFFFAOYSA-N 212.243 2.537 0 30 BFAC in-vitro N#Cc1c(C(=O)c2ccccc2)ccnc1Cl 238790206 BWRNDHDSMLIUKF-UHFFFAOYSA-N 242.665 2.838 0 30 BFAC Cc1cc(C)c(C)c(C(=O)Cn2ccnc2)c1C 5425013 WINCJAORCADCES-UHFFFAOYSA-N 242.322 3.000 0 30 BFAC Oc1c2c(c(O)c3ccccc13)CC=CC2 18058322 XNGBCVRGPNWAGY-UHFFFAOYSA-N 212.248 2.906 0 30 BFAC Brc1ncccc1N1CCCCC1 237977054 YOVUJQDOXJSMCV-UHFFFAOYSA-N 241.132 2.834 0 30 BFAC Cc1ccccc1-c1ncc(CN)s1 20438883 FMDSUENWOZEOQQ-UHFFFAOYSA-N 204.298 2.577 0 30 BFAC OC(=S)Nc1nc2ccccc2s1 45236822 RMEPIUFMLUVPHU-UHFFFAOYSA-N 210.283 2.551 0 30 BFAC CC(C)(C)n1nccc1-c1cccnc1 95829940 ONGVLRUKKDSFMO-UHFFFAOYSA-N 201.273 2.700 0 30 BFAC FC(F)COc1nc(Br)cs1 130623313 OKWZKGUHKNRHLV-UHFFFAOYSA-N 244.060 2.550 0 30 BFAC O[C@@H]1CCc2cccc(C(F)(F)F)c21 214209040 MDXMTZYIFQCSHB-MRVPVSSYSA-N 202.175 2.685 0 30 BFAC O=C(O)[C@@H]1CC12C1CC3CC(C1)CC2C3 38762227 WVNJLPDZLBHERL-WQJBQHQGSA-N 206.285 2.533 0 30 BFAC Nc1ccccc1Sc1ccncc1 42144063 VQQDUURKMGIZDC-UHFFFAOYSA-N 202.282 2.815 0 30 BFAC CC[C@@](C)(CN(C)C)OC(=O)c1ccccc1 2034893 FDMBBCOBEAVDAO-AWEZNQCLSA-N 235.327 2.574 0 30 BFAC biogenic,world NCCCNc1ccc(Cl)c(Cl)c1 53146585 CNMJTVKAJJAJKL-UHFFFAOYSA-N 219.115 2.754 0 30 BFAC in-vitro O=Cc1nc(-c2ccc(Cl)cc2)c[nH]1 68945667 JGTHDLCPWBUQON-UHFFFAOYSA-N 206.632 2.543 0 30 BFAC O=C(O)c1csnc1-c1ccccc1 75605909 KPFIQSITWQLVSH-UHFFFAOYSA-N 205.238 2.508 0 30 BFAC Cc1cc(Br)ccc1CC1CNC1 1536037016 SFQAFPFQZOVGKG-UHFFFAOYSA-N 240.144 2.519 0 30 BFAC CCN1CCC(Cc2ccccc2)CC1 33610823 ZBKWFCQXPPFOLJ-UHFFFAOYSA-N 203.329 2.961 0 30 BFAC C[C@H](NCC[C@@H](C)O)c1ccccc1Cl 82993127 GDXOJKNKDADUND-ZJUUUORDSA-N 227.735 2.762 0 30 BFAC CC(C)CC[C@H]1[C@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 100087417 OAJJYJXUTGGAPX-BJDJZHNGSA-N 208.301 2.946 0 30 BFAC Fc1cc(Br)c2c(c1)NCCC2 216461314 PEFSSSBZYMPFPP-UHFFFAOYSA-N 230.080 2.946 0 30 BFAC CCOC(=O)C[C@H]1CCNc2ccccc21 238254368 JARZXCGUFDMBHN-SNVBAGLBSA-N 219.284 2.539 0 30 BFAC CC1(C)CC(=O)[C@@H]2[C@@H]3OCCC[C@H]3[C@]2(C)C1 256434815 NSKPIVOZPLDHHW-LHMODEAPSA-N 222.328 2.807 0 30 BFAC Cc1cn2c(C=O)c(C(F)(F)F)nc2s1 20445606 WFBFXUCRDYYMFB-UHFFFAOYSA-N 234.202 2.536 0 30 BFAC CC(=O)[C@H](C)Sc1nc(C)cs1 35184879 FEZVCOPJEUPWBK-ZETCQYMHSA-N 201.316 2.521 0 30 BFAC CCCC(=O)O[C@@H](CC)[C@@H](C)COC(=O)CC 38647904 FWDZBBIKQATTEH-QWRGUYRKSA-N 244.331 2.698 0 30 BFAC Fc1cc(Br)ccc1C=C1CNC1 86882159 OGMCKSLRIBIBRH-UHFFFAOYSA-N 242.091 2.575 0 30 BFAC Oc1ccc(C2C(F)(F)C2(F)F)cc1 407985697 JJQDUOKJMREADG-UHFFFAOYSA-N 206.138 2.760 0 30 BFAC Cc1ccc(CSC2=N[C@@H](C)CN2)cc1 144277 PDHFOONKCUKUIO-JTQLQIEISA-N 220.341 2.576 0 30 BFAC O=C1C=Cc2cc3ccccc3cc2C1=O 1593860 RGHILYZRVFRRNK-UHFFFAOYSA-N 208.216 2.618 0 30 BFAC biogenic c1ccc2c(c1)c1c3n2CCC[C@@H]3NCC1 34767287 LDRRAHYWDNFTQD-LBPRGKRZSA-N 212.296 2.622 0 30 BFAC Nc1cc(F)ccc1SCC(F)F 37756096 JJNXZUOUXQNKSW-UHFFFAOYSA-N 207.220 2.765 0 30 BFAC in-vitro Nc1nc(-c2ccc(Cl)s2)co1 50266325 SXHUGQJLBOYYCY-UHFFFAOYSA-N 200.650 2.639 0 30 BFAC Clc1nc(Cl)c2cc3c(cc2n1)OCO3 95642225 FDXFQHNKDXERIJ-UHFFFAOYSA-N 243.049 2.665 0 30 BFAC CCOC(=O)[C@H](C)Cc1ccc(F)cc1 95883569 SWDBIRSOBQVYMU-SECBINFHSA-N 210.248 2.567 0 30 BFAC in-vitro COc1cc([N+]#N)ccc1N1CCCC1 5141155 RSLBWQMPUBDKQZ-UHFFFAOYSA-N 204.253 2.780 0 30 BFAC Clc1cncc(OCC2CCCC2)n1 85487914 JPXVIUNZXARJHN-UHFFFAOYSA-N 212.680 2.699 0 30 BFAC in-vitro Brc1nc([C@@H]2CCCOC2)cs1 258982874 SNLADRDPGOTTMN-ZCFIWIBFSA-N 248.145 2.800 0 30 BFAC COC(=O)c1csc2cccc(OC)c12 261207422 NQIIJKFRHZJVQA-UHFFFAOYSA-N 222.265 2.697 0 30 BFAC O=C(O)[C@@H]1CC[C@H](Cc2ccccc2)C1 2265383679 OGRRXILDCADFLB-VXGBXAGGSA-N 204.269 2.730 0 30 BFAC Cc1oc(=O)oc1CSc1ccc(F)cc1 3646632 CPLWLGPEPHDKEM-UHFFFAOYSA-N 240.255 2.973 0 30 BFAC CCC(=O)O[C@@]1(c2ccccc2)CCN(C)[C@@H]1C 5065030 LUKSBMJXPCFBKO-DOMZBBRYSA-N 247.338 2.559 0 30 BFAC in-man COC(=O)[C@H]1CC[C@@H](c2ccccc2)C1 21991054 JRRNVFZDCOUHFB-NEPJUHHUSA-N 204.269 2.743 0 30 BFAC CC1(C)Oc2ccc(Br)cc2C1=O 34303189 KXZAVFBRFRKEFL-UHFFFAOYSA-N 241.084 2.803 0 30 BFAC in-vitro CC(C)[C@@H]1Nc2ccc(Cl)cc2NC1=O 76674008 JAPONFFVJBBUMD-JTQLQIEISA-N 224.691 2.729 0 30 BFAC CC(C)NC(=O)N1CCc2sccc2[C@H]1C 143323 XPOMGKHWPJNPLH-SECBINFHSA-N 238.356 2.785 0 30 BFAC CCC[C@H](O)CC[C@@H]1O[C@@H](C)CC(C)(C)O1 31361782 PGJWDNHHHKORMH-SDDRHHMPSA-N 230.348 2.858 0 30 BFAC CCc1c(Br)cccc1CO 115771245 NKNADVUGUOAUNJ-UHFFFAOYSA-N 215.090 2.504 0 30 BFAC O=C1c2ccc(Br)cc2CC1(F)F 2265385244 VQFLZZPKCRALGA-UHFFFAOYSA-N 247.038 2.823 0 30 BFAC CCC[C@@H]1CC[C@@H](OC(C)=O)[C@@H](OC)C1 31352160 DCHIIKAIQRAGHB-UTUOFQBUSA-N 214.305 2.533 0 30 BFAC COc1ccc(Nc2ncnc3cc[nH]c23)cc1 38174803 MQCDBQRXSULGGB-UHFFFAOYSA-N 240.266 2.710 0 30 BFAC CCc1nc2c(Cl)nc(Cl)cc2[nH]1 45806282 SAKVPOFFPTVSQH-UHFFFAOYSA-N 216.071 2.827 0 30 BFAC CC1(C)C(=O)Nc2c1ccc(Cl)c2F 87606821 DBGZKCCEDZYXSJ-UHFFFAOYSA-N 213.639 2.709 0 30 BFAC CC(C)(C)C1CCC(C[C@H](O)C(=O)O)CC1 702682990 YJTWPXYTJNVKRW-ILDUYXDCSA-N 228.332 2.675 0 30 BFAC Nc1ccc(Cl)c(COc2cccnc2)c1 21987181 WHWZWWOANBQXMT-UHFFFAOYSA-N 234.686 2.896 0 30 BFAC CC[C@@H](OC(=O)CCC(=O)O)c1ccccc1 39117829 YWCULPJKMBERJC-LLVKDONJSA-N 236.267 2.546 0 30 BFAC NCCC(=O)c1ccc(Cl)cc1Cl 74367353 OCPYNKRPBRYAIH-UHFFFAOYSA-N 218.083 2.525 0 30 BFAC CN(CC[C@@H](N)C(C)(C)C)C(=O)OC(C)(C)C 406455288 QIFZPBNRTKSNLK-SNVBAGLBSA-N 244.379 2.617 0 30 BFAC O=C(O)c1ccc(C(F)F)c(Cl)c1 685946285 IIPHQAWJUXYQDP-UHFFFAOYSA-N 206.575 2.976 0 30 BFAC CCOC(=N)c1ccc(F)c(Cl)c1 12368398 WFPACVNOALZEEG-UHFFFAOYSA-N 201.628 2.841 0 30 BFAC O=C(O)c1cccc(OC(F)(F)Cl)c1 32145787 MLHFIEFNBOSELY-UHFFFAOYSA-N 222.574 2.553 0 30 BFAC O=C(O)C(F)(F)c1cscc1C(F)(F)F 306411252 KGNPQDOAARNQQH-UHFFFAOYSA-N 246.156 2.943 0 30 BFAC CCN1c2nc3ccccc3nc2N(CC)C1C 5852178 QDXBEVWFLNOLKY-UHFFFAOYSA-N 242.326 2.642 0 30 BFAC COC(=O)c1cc(C)cc2cc(C)[nH]c12 238351341 KHUMKMRAMCPJSV-UHFFFAOYSA-N 203.241 2.571 0 30 BFAC Cc1cn2nc(Cl)cc(C(F)F)c2n1 2265385747 OBPGXAJNMJMAEI-UHFFFAOYSA-N 217.606 2.629 0 30 BFAC C[C@@H]1C[C@@](C)(O)C[C@@H](c2ccccc2)O1 33607663 GTDWBOZGGBDJGL-KGYLQXTDSA-N 206.285 2.678 0 30 BFAC Cc1cccc(C(=O)OC(C)(C)C)c1N 37729903 YEWWZQZDWUQMMI-UHFFFAOYSA-N 207.273 2.533 0 30 BFAC in-vitro N[C@H]1CCN(Cc2c(Cl)cccc2Cl)C1 38539020 KTUOFEDMKVBKOO-QMMMGPOBSA-N 245.153 2.526 0 30 BFAC CCCC[C@H]1CC(=O)C[C@H]1CC(=O)OCC 114351609 KJSWNAOSCNRYLQ-QWRGUYRKSA-N 226.316 2.725 0 30 BFAC CC(=O)Nc1cc(C)c(O)c2ccccc12 6069908 WBCVLLLKWZXXBK-UHFFFAOYSA-N 215.252 2.812 0 30 BFAC endogenous,in-man CN1C(=N)O[C@H]2c3cccc4cccc(c34)[C@H]21 33854935 XJHMWMPYFRYKKI-OLZOCXBDSA-N 224.263 2.832 0 30 BFAC CNC1([C@@H](O)c2ccc(C)cc2)CCCC1 39110090 LNKVBEZIACBOQE-ZDUSSCGKSA-N 219.328 2.561 0 30 BFAC Brc1cnccc1C1CCOCC1 237971052 GHIPFSPQPQHBBJ-UHFFFAOYSA-N 242.116 2.738 0 30 BFAC CCOC(=O)C[C@](C)(O)c1ccc(Cl)cc1 5650573 AKTWBLNPMXANJD-LBPRGKRZSA-N 242.702 2.501 0 30 BFAC Oc1ccc2c(c1)C[C@H](Cc1ccncc1)C2 13554837 OQVIVKTTYYDAGR-GFCCVEGCSA-N 225.291 2.745 0 30 BFAC N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 37466287 RIAGKFGQSFQJHI-LBPRGKRZSA-N 232.714 2.978 0 30 BFAC in-vitro CCOc1ccc(NC(C)=O)cc1CC 39099495 NRDIYHIXGDIIDF-UHFFFAOYSA-N 207.273 2.606 0 30 BFAC O=c1cc(-c2ccccc2)cc(Cl)[nH]1 39240544 GFGDKLZHRLWMNN-UHFFFAOYSA-N 205.644 2.695 0 30 BFAC CC(C)c1[nH]ncc1-c1ccnc(Cl)n1 231440178 PTKUSEGRYOOZDC-UHFFFAOYSA-N 222.679 2.644 0 30 BFAC CN=[S@@](C)(=O)c1cccc(Br)c1 521399482 QYVNWRLHIDBGAO-LBPRGKRZSA-N 248.145 2.536 0 30 BFAC CC(C)(C)C[C@@H]1CN(Cc2ccccc2)C[C@H]1N 1535543623 IZQWINLFPNXUKN-HUUCEWRRSA-N 246.398 2.882 0 30 BFAC Cc1ccccc1N(C)C(=O)OC(C)C 1855850 BSCWAMNSHQSUGC-UHFFFAOYSA-N 207.273 2.976 0 30 BFAC C[C@H]1Sc2ccccc2NC(=O)[C@H]1C 3126997 GTUFEXDPRZPSSZ-JGVFFNPUSA-N 207.298 2.755 0 30 BFAC C[C@@H]1C[C@@](C)(O)C[C@H](c2ccccc2)O1 38635926 GTDWBOZGGBDJGL-RAIGVLPGSA-N 206.285 2.678 0 30 BFAC C[C@@H](O)c1cc(F)cc(Br)c1 85633366 RMICUVVTYFJRJY-RXMQYKEDSA-N 219.053 2.642 0 30 BFAC CCC(=O)O[C@@H]1C[C@H]2C[C@H]1[C@H]1C=CC[C@@H]21 212559886 ZPFJBPIFMMENKC-WTPMCQDGSA-N 206.285 2.540 0 30 BFAC O=C(O)CCCCOC1CCCCC1 26516866 PSJXZCNZJMFMDI-UHFFFAOYSA-N 200.278 2.591 0 30 BFAC C[C@@H]1NCCc2c(Br)cccc21 70821251 VPKHWEFDYAMWOS-ZETCQYMHSA-N 226.117 2.656 0 30 BFAC in-vitro O=C(O)c1cncc2c(C(F)(F)F)cccc12 958718602 SJOANGHPENBDAK-UHFFFAOYSA-N 241.168 2.952 0 30 BFAC CC(C)(C)OC(=O)c1cnc(Cl)s1 12370911 SQZXVWDARSIXTM-UHFFFAOYSA-N 219.693 2.752 0 30 BFAC in-vitro CCN[C@@H]1CCOc2c(C)cc(F)cc21 129272957 LTLBEMNXVNAHRY-LLVKDONJSA-N 209.264 2.567 0 30 BFAC Cn1cc(C(C)(C)C(=O)O)c2ccccc21 34454683 CSEUZTYZMBJDFW-UHFFFAOYSA-N 217.268 2.541 0 30 BFAC Cc1ccc(C)n1[C@H](C(=O)O)C(C)(C)C 82503208 MEWSBOFVAFUOJZ-SNVBAGLBSA-N 209.289 2.777 0 30 BFAC CC(=O)N(C)C(=O)Oc1cccc(C(C)(C)C)c1 96329022 SURJMTNWHVPQHM-UHFFFAOYSA-N 249.310 2.961 0 30 BFAC Cc1cc2c(cc1N)N(C(=O)OC(C)(C)C)CC2 135483430 ABEKZHQHASZMDE-UHFFFAOYSA-N 248.326 2.875 0 30 BFAC CC(C)=CCc1cc(CCCO)ccc1O 14887317 WNGXJKHDIYTXOF-UHFFFAOYSA-N 220.312 2.826 0 30 BFAC biogenic Cc1cc(-c2nc(C3CC3)no2)ccc1N 21519687 UXLIAPFVDKUEQA-UHFFFAOYSA-N 215.256 2.505 0 30 BFAC in-vitro Cc1nn(CC(F)F)c(C)c1Br 50594053 IZDUJIAEQDMFGA-UHFFFAOYSA-N 239.063 2.528 0 30 BFAC OC1(Cc2ccccc2Br)CCC1 85754622 RMFDNCLCAHLZSJ-UHFFFAOYSA-N 241.128 2.907 0 30 BFAC Cc1cnc(-c2ccc(Cl)cc2)nc1C(=O)O 304189531 AWKAXVDFMIPOIP-UHFFFAOYSA-N 248.669 2.804 0 30 BFAC O=C(O)[C@@H]1[C@@H]2CC[C@@]1(c1cccs1)C2 1535645801 MHUIZKOIHOEEPJ-HDBBIHSSSA-N 208.282 2.500 0 30 BFAC O[C@@H](CF)c1ccccc1C(F)(F)F 1536145566 DDTMFWDUKVYQEW-QMMMGPOBSA-N 208.154 2.708 0 30 BFAC O=C(OCCOc1ccccc1)c1ccccc1 1598601 WMAXFAQWCDUBLS-UHFFFAOYSA-N 242.274 2.922 0 30 BFAC COC(=O)c1ccc(-c2cccc(F)c2)o1 21988879 CVEIQBUPXKHIJO-UHFFFAOYSA-N 220.199 2.872 0 30 BFAC COC(=O)[C@@H]1CC[C@H](c2ccccc2)C1 21991057 JRRNVFZDCOUHFB-NWDGAFQWSA-N 204.269 2.743 0 30 BFAC Cc1ccccc1-n1ncc(N)c1C(C)C 85634349 RRUIZZLAEMJZGG-UHFFFAOYSA-N 215.300 2.886 0 30 BFAC in-vitro Cc1cc(OCCN(C)C)c(C(C)C)cc1O 2008771 HJGRPZCEBPNMDU-UHFFFAOYSA-N 237.343 2.764 0 30 BFAC CC1(C)CC[C@H](Nc2ncccc2C(=O)O)C1 129665444 DVNUVDICHFVUNM-VIFPVBQESA-N 234.299 2.770 0 30 BFAC CCOc1cc(CN)cc(Cl)c1OCC 5064470 ZWDXKGWZHWHVHW-UHFFFAOYSA-N 229.707 2.596 0 30 BFAC C[C@]1(O)Oc2cccnc2C[C@H]1c1ccccc1 39120824 GYDGIXSZQJHLKG-WFASDCNBSA-N 241.290 2.509 0 30 BFAC Cc1ccc(C(=O)O)c(OC(F)(F)F)c1 238450195 BPDKBPYHHXWZRM-UHFFFAOYSA-N 220.146 2.592 0 30 BFAC CCN1CC[C@@H](c2c[nH]c3ccccc23)C1 2038555 GINDSTSZDIENFS-LLVKDONJSA-N 214.312 2.977 0 30 BFAC CCC[C@H](O)CC[C@H]1O[C@@H](C)CC(C)(C)O1 31361785 PGJWDNHHHKORMH-SRVKXCTJSA-N 230.348 2.858 0 30 BFAC O=C(S)[C@@H](c1ccccc1)C(F)(F)F 1565503769 QGDROGXJOSLWFJ-SSDOTTSWSA-N 220.215 2.789 0 30 BFAC Cc1ncccc1OC(=O)c1ccccc1 238790430 WTMFQLSZUUVISX-UHFFFAOYSA-N 213.236 2.609 0 30 BFAC CN(C)[C@H]1CCCC[C@H]1C(=O)Nc1ccccc1 39072994 RBMANDAVVRMIJE-KGLIPLIRSA-N 246.354 2.746 0 30 BFAC NC1C[C@@H]2CCC[C@H](C1)N2Cc1cccs1 54601943 BJUFNPCCDQBTLY-YOGCLGLASA-N 236.384 2.592 0 30 BFAC in-vitro C[C@@H](C(=O)O)c1nc(C2CCCC2)cs1 259395690 WQXQDPPWGNLRNP-SSDOTTSWSA-N 225.313 2.989 0 30 BFAC C[C@@H](CN)C(O)(c1ccccc1)c1ccccc1 2019293 XGYCHIPEPHYUIH-ZDUSSCGKSA-N 241.334 2.517 0 30 BFAC CC(C)(C)OC(=O)Nc1ccc(F)cc1CO 258054237 HTTMOTQGTRGSJP-UHFFFAOYSA-N 241.262 2.665 0 30 BFAC COc1ccc([C@@H](N)C2CC2)cc1Cl 3739223 VLKUEGZZRRTLQX-NSHDSACASA-N 211.692 2.758 0 30 BFAC C[C@H]1Nc2cc(Cl)c(Cl)cc2NC1=O 57926840 SJFDPQBNAWKVCZ-SCSAIBSYSA-N 231.082 2.746 0 30 BFAC CCOP(=O)(OCC)[C@H]1CCCCC1=O 104838597 LCPPKUNUSIZGQC-JTQLQIEISA-N 234.232 2.764 0 30 BFAC COc1ccc(O)cc1OCc1ccccc1 3199179 GUYAGMJZETTWMM-UHFFFAOYSA-N 230.263 2.980 0 30 BFAC CCCc1cc(C(=O)O)nn1-c1ccccc1 75419667 YGABVIPGXJAASP-UHFFFAOYSA-N 230.267 2.523 0 30 BFAC C[C@H]1Cc2c(F)cc(Br)cc2C1=O 86718106 KLPCRILKSWGTQF-YFKPBYRVSA-N 243.075 2.963 0 30 BFAC O=C1CCCc2cc(O)cc(Br)c21 714121545 HRUOCURHQRPYCC-UHFFFAOYSA-N 241.084 2.674 0 30 BFAC CC(C)[C@]1(C(=O)N(C)C)CCCC[C@@H]1C 33507045 ZNXSLRIBKWBICP-WCQYABFASA-N 211.349 2.927 0 30 BFAC Cc1ccccc1Cc1ncc(CN)s1 43560421 FQKUJOJNZKEQEE-UHFFFAOYSA-N 218.325 2.501 0 30 BFAC Fc1cccc2oc(Br)nc12 84773332 WVMSAFFWGTYFDC-UHFFFAOYSA-N 216.009 2.729 0 30 BFAC Cc1cc2ccc(Br)cc2c(=O)[nH]1 125306816 GUKPMOGOOWYGPF-UHFFFAOYSA-N 238.084 2.599 0 30 BFAC C[C@@H](CO)CO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 256091466 YCOHHRPARVZBHK-KZVDOYCCSA-N 226.360 2.846 0 30 BFAC O=C(O)c1cc2ccc(Cl)c(F)c2o1 685951998 OAQZBUTVXUBAGN-UHFFFAOYSA-N 214.579 2.924 0 30 BFAC Cc1ccc2c(c1)[C@H](NC1CC1)CCCO2 35652640 YUJOLZUOQJKKMT-CYBMUJFWSA-N 217.312 2.961 0 30 BFAC c1ccc(-c2ccnc(C3CCNCC3)n2)cc1 71396378 BVGXZCQIEZIFGT-UHFFFAOYSA-N 239.322 2.611 0 30 BFAC Nc1ccc2cn(CCCC(F)(F)F)nc2c1 722775635 FRGDFEONVHQPNH-UHFFFAOYSA-N 243.232 2.961 0 30 BFAC CC(C)(C)C(=O)NCC[C@@H]1CC1(Cl)Cl 142214 BUTNBGSCYPAOMS-SSDOTTSWSA-N 238.158 2.733 0 30 BFAC C[C@H]1CCCCN1CN1CCCC[C@@H]1C 34064882 LDMRWZAGEZWQBV-STQMWFEESA-N 210.365 2.693 0 30 BFAC FC(F)(F)COc1cccnc1Cl 38843939 IUTMJBMTEOTFKB-UHFFFAOYSA-N 211.570 2.676 0 30 BFAC O=C1CCc2c(Br)cc(F)c(F)c21 91366012 DHPVNQOQYBOSED-UHFFFAOYSA-N 247.038 2.856 0 30 BFAC O=C(O)c1coc2c(F)c(Cl)ccc12 130736192 XRAQTUVOOCAJLS-UHFFFAOYSA-N 214.579 2.924 0 30 BFAC CCc1[nH]c(-c2ccccc2)cc1C(=O)O 83207250 PGJVVRWQDUXJER-UHFFFAOYSA-N 215.252 2.942 0 30 BFAC Nc1nc(-c2nccc3ccccc23)cs1 96378705 YLNUDNTUPQXQBM-UHFFFAOYSA-N 227.292 2.941 0 30 BFAC in-vitro CCC[C@H](O)[C@@H](CC)C[C@H](CC)CO 256365119 QDKYZXPQXKTGRB-SRVKXCTJSA-N 202.338 2.582 0 30 BFAC Cc1c(CN)ccc(C(F)(F)F)c1C 2265362111 LSFHVYHQYSGSFJ-UHFFFAOYSA-N 203.207 2.781 0 30 BFAC N[C@H]1CC2(CCCC2)Oc2ccc(F)cc21 74046145 AUNWIYCRCJHCCF-NSHDSACASA-N 221.275 2.921 0 30 BFAC N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 238857014 XRDMAGBKLUFYSN-ZKCHVHJHSA-N 244.107 2.793 0 30 BFAC O=C(O)N1C=CCc2c1ccc1ncsc21 604973997 HEPMATUVOWWIHX-UHFFFAOYSA-N 232.264 2.851 0 30 BFAC O=C1CC=Nc2cc(C(F)(F)F)ccc21 725378830 YNDISTORRZSQAG-UHFFFAOYSA-N 213.158 2.994 0 30 BFAC CC[C@@]1(c2cccc(OC)c2)CCCCNC1=O 157630 QHRHMXLAEBLVPG-HNNXBMFYSA-N 247.338 2.643 0 30 BFAC CCOC(=O)C1(c2ccccc2)CCC(=O)CC1 1624283 SYBVWVIZANWJOR-UHFFFAOYSA-N 246.306 2.631 0 30 BFAC CCCc1ccc(C(=O)C(C)(C)O)cc1 5844619 VOGSBOVWPQXXAH-UHFFFAOYSA-N 206.285 2.593 0 30 BFAC c1ccc(-n2nccc2-c2cccnc2)cc1 72190557 DUNWUHHRCWOPCU-UHFFFAOYSA-N 221.263 2.934 0 30 BFAC FC(F)c1cnc(Br)s1 118158444 FZIGAEFJUWTZFE-UHFFFAOYSA-N 214.034 2.843 0 30 BFAC Fc1ccc(Br)c2c1CCCN2 216461050 BJOBVDJUJIYVNN-UHFFFAOYSA-N 230.080 2.946 0 30 BFAC CC(C)CN1CCC[C@H]1C(=O)Nc1ccccc1 5522470 VCNWTWUQFBIGNB-AWEZNQCLSA-N 246.354 2.746 0 30 BFAC CCO[P@]1(=O)OCCOC=C1CC 39099433 CYAQHCUBEUVOCP-ZDUSSCGKSA-N 206.178 2.514 0 30 BFAC Clc1nc2ccc3c(c2s1)CNCC3 45236820 BCPXZBWFDJTCAW-UHFFFAOYSA-N 224.716 2.595 0 30 BFAC C[C@](CC(F)(F)F)(C(=O)O)c1ccccc1 405187185 JRGWXXWNUHVRDO-SNVBAGLBSA-N 232.201 2.981 0 30 BFAC Cc1c(O)[nH]c2c(Cl)cc(Cl)cc2c1=O 87803 KQWYOPBUHWVXJP-UHFFFAOYSA-N 244.077 2.849 0 30 BFAC Cc1cc(-c2noc(-c3cccs3)n2)no1 123360 ZUUUNTJTQZAHKC-UHFFFAOYSA-N 233.252 2.762 0 30 BFAC Cc1ccc(Br)cc1C1(N)CC1 216414024 OLYAQOQXKSCAGE-UHFFFAOYSA-N 226.117 2.705 0 30 BFAC CC(=O)Oc1ccc(F)cc1Br 2526538 CJIWSSICZXCQSS-UHFFFAOYSA-N 233.036 2.514 0 30 BFAC CNC(=O)[C@]1(C(C)C)CCCCC[C@@H]1C 6037515 GAARKGMVKQICJE-AAEUAGOBSA-N 211.349 2.975 0 30 BFAC COC(=S)C(Cl)=C(Cl)Cl 5997581 WUEKZQWKWJIUPB-UHFFFAOYSA-N 205.493 2.846 0 30 BFAC C[C@H](N)c1cccc(OCc2ccccn2)c1 22168104 CDADKDUGURSPFG-NSHDSACASA-N 228.295 2.680 0 30 BFAC in-vitro O=C(O)c1c(-c2cccs2)nc2ccccn12 36224259 YLOOHIPUPGCKJO-UHFFFAOYSA-N 244.275 2.761 0 30 BFAC C[C@@]1(c2ccc3ccccc3c2)O[C@H]1C(=O)O 90693851 ZHPUQUVBHISIBQ-JSGCOSHPSA-N 228.247 2.538 0 30 BFAC Cc1ccc(-c2c[nH]c3ncc(N)nc23)cc1 953048426 TUVAXDMGBNRXET-UHFFFAOYSA-N 224.267 2.516 0 30 BFAC O=C(O)[C@H]1CCc2cc(Cl)cc(Cl)c2O1 2265360975 CDRVIQKBHRDFTL-MRVPVSSYSA-N 247.077 2.772 0 30 BFAC CCOC(=O)c1conc1-c1ccccc1 437155 ONYVEPHLOUEYQX-UHFFFAOYSA-N 217.224 2.518 0 30 BFAC O=C(O)c1cc2c(F)ccc(Cl)c2[nH]1 59730762 INFHFEDPIHUCAK-UHFFFAOYSA-N 213.595 2.659 0 30 BFAC Nc1ccncc1-c1ccc(Cl)cc1 69841243 KJSAFCLXZZQXDB-UHFFFAOYSA-N 204.660 2.984 0 30 BFAC Nc1ncnc2c(Cl)cc(Cl)cc12 83119131 QZVUSDUFBVJYHK-UHFFFAOYSA-N 214.055 2.519 0 30 BFAC O=C(O)c1cc2ccc(Cl)nc2s1 84236174 BJOOZLSQNAOOBN-UHFFFAOYSA-N 213.645 2.648 0 30 BFAC CC(=O)[C@@H]1CCC(C)=C2CC=C(C)[C@@H]2[C@H]1O 136805247 BJBCTBYMHHQRTO-IHRRRGAJSA-N 220.312 2.629 0 30 BFAC CCCO[C@H](CO)c1ccc(F)cc1C 685945584 KMHRJFNCTWSOSG-GFCCVEGCSA-N 212.264 2.594 0 30 BFAC Cc1ccc(SC(=O)c2csnn2)cc1 106139 NBERRLNQBHIHEK-UHFFFAOYSA-N 236.321 2.779 0 30 BFAC O=c1oc(/C=C/c2ccco2)nc2ccccc12 4377496 BZVYAIVUIDKPTL-BQYQJAHWSA-N 239.230 2.951 0 30 BFAC Cc1cc(C)cc(NC(=S)N(C)C)c1 13659031 ZQHOOYWKZDNJLS-UHFFFAOYSA-N 208.330 2.562 0 30 BFAC Cc1cccc2c3c(ccc12)C(=O)C=C(O)C3=O 32263876 CYOAKWCQINAOCG-UHFFFAOYSA-N 238.242 2.969 0 30 BFAC NC[C@@H]1CCCc2cc(Br)ccc21 84425801 HAMLFCJUMXNYBJ-VIFPVBQESA-N 240.144 2.828 0 30 BFAC O=Cc1c(Cl)cncc1C(F)(F)F 95763805 LSESSQGBMDURDR-UHFFFAOYSA-N 209.554 2.566 0 30 BFAC C=Cc1cc2c(cc1Br)OCO2 136289614 PUWYYZXSNGWAAC-UHFFFAOYSA-N 227.057 2.821 0 30 BFAC Cc1noc(C)c1C(=O)Oc1ccccc1 111946 FWDLVGICVCPXRR-UHFFFAOYSA-N 217.224 2.511 0 30 BFAC Cc1cc(Cl)ccc1OCCC(=O)O 1841323 ILNCZQXPGNSQRN-UHFFFAOYSA-N 214.648 2.502 0 30 BFAC [N-]=[N+]=Nc1cc(F)c([N+](=O)[O-])cc1[N+](=O)[O-] 31516947 JVIYQKYYLROORG-UHFFFAOYSA-N 227.111 2.584 0 30 BFAC O[C@@](c1ccccc1)(C1CC1)C(F)(F)F 34286658 KRHLCHSAMBEJFD-JTQLQIEISA-N 216.202 2.847 0 30 BFAC in-vitro C[C@@H]1CC[C@@H](N)[C@H](N2CCc3ccccc3C2)C1 34781422 LTPYDUURZCTDIC-DAXOMENPSA-N 244.382 2.561 0 30 BFAC Cc1ccc(-c2ccc(C(=O)O)[nH]2)cc1C 41228147 XMHTVHMNIRQGLA-UHFFFAOYSA-N 215.252 2.997 0 30 BFAC C[C@H](CO)c1ccc(C(F)(F)F)cc1 84192465 YUKZRHMXMUYQRC-SSDOTTSWSA-N 204.191 2.801 0 30 BFAC in-vitro Cn1c(Cl)nc2cccc(Cl)c21 107190394 BZFBMRJXGAQGDO-UHFFFAOYSA-N 201.056 2.880 0 30 BFAC O=C(Nc1cc(F)cc(Cl)c1)C(F)(F)F 230060716 QWJQQZKZAIZFKC-UHFFFAOYSA-N 241.571 2.980 0 30 BFAC O[C@H]1CCN(Cc2ccccc2)C2(CCC2)C1 335606762 CFDZVEYFFPTUJY-AWEZNQCLSA-N 231.339 2.566 0 30 BFAC CCN(C)C(=O)C=Cc1cnc2ccccc2c1 2265279193 FTMMOHLZZCTORP-UHFFFAOYSA-N 240.306 2.726 0 30 BFAC c1ccc(-n2nccc2-c2ccccn2)cc1 72190532 HUJQPXVYJNYUQE-UHFFFAOYSA-N 221.263 2.934 0 30 BFAC COC(=O)[C@@H](C)c1ccccc1Br 115920334 RLRRZBSMJSVWMB-ZETCQYMHSA-N 243.100 2.726 0 30 BFAC in-vitro FC(F)c1nc(Br)cs1 215718376 SNOOUKRDDQOUOJ-UHFFFAOYSA-N 214.034 2.843 0 30 BFAC CCc1csc(Nc2cccnc2)n1 74763 XDMFQROTUWXMLE-UHFFFAOYSA-N 205.286 2.844 0 30 BFAC NC(=O)c1ccc(-c2ccccc2F)cc1 111112 URNKHGDLIDSVJP-UHFFFAOYSA-N 215.227 2.592 0 30 BFAC CSc1sc(C(N)=S)c(C)c1C(C)=O 148727 UFLHKKBYUPEGRJ-UHFFFAOYSA-N 245.394 2.615 0 30 BFAC Cc1cccc(Cl)c1O[C@H](C)C(=O)O 2526775 TWCRVMDZDXFHRM-SSDOTTSWSA-N 214.648 2.500 0 30 BFAC C[C@@H]1CC[C@]2(O1)C(C)(C)CCC[C@]2(C)O 28541806 LJOISVFAMDWVFA-WXHSDQCUSA-N 212.333 2.885 0 30 BFAC endogenous,in-man CCCC(=O)O[C@H](CC)[C@@H](C)COC(=O)CC 38647906 FWDZBBIKQATTEH-WDEREUQCSA-N 244.331 2.698 0 30 BFAC NCc1cc(-c2ccc3ccccc3c2)on1 66113439 QFWPFRVYYPVNQC-UHFFFAOYSA-N 224.263 2.954 0 30 BFAC Fc1ccccc1COc1ccnc(Cl)n1 68954325 GWBPKDTWVMYHSE-UHFFFAOYSA-N 238.649 2.848 0 30 BFAC Cc1cc([C@H](C)O)ccc1Br 62721535 PQAOTIKGTPSSAH-ZETCQYMHSA-N 215.090 2.811 0 30 BFAC Nc1cc(Br)c(S)cc1Cl 299805167 AVTBOPDRCLBWMY-UHFFFAOYSA-N 238.537 2.973 0 30 BFAC CC(C)C(=N)NC(=S)Nc1ccccc1 127408 JNCUAFFWZFAWFW-UHFFFAOYSA-N 221.329 2.606 0 30 BFAC Cc1cccc(Cl)c1O[C@@H](C)C(=O)O 6071751 TWCRVMDZDXFHRM-ZETCQYMHSA-N 214.648 2.500 0 30 BFAC C[C@@H](N)c1ccc(C(=O)c2ccccc2)cc1 19779751 MOPFTKDKAKPIIB-LLVKDONJSA-N 225.291 2.937 0 30 BFAC CCN(C)c1cc2c3c(c1)CCCN3CCC2 95793311 VXIZGQJEIPKERR-UHFFFAOYSA-N 230.355 2.842 0 30 BFAC C=C(C(=O)OC1=CC=CC1)C1=CC=CC1 238790923 JVCZQRSKQDCHIJ-UHFFFAOYSA-N 200.237 2.816 0 30 BFAC Brc1cc2c(s1)CCOC2 82326493 JZZKFVDXSAGQET-UHFFFAOYSA-N 219.103 2.583 0 30 BFAC NCCCCCc1nc2ccccc2s1 19474495 LRVUNUHOUQQGTK-UHFFFAOYSA-N 220.341 2.968 0 30 BFAC CCOc1ccc2nc(C)c(C(=O)O)cc2c1 32099570 LHZRQQXTWTXFEY-UHFFFAOYSA-N 231.251 2.640 0 30 BFAC O=C(O)C1(c2ccccc2)CC2(CC2)C1 83174282 GRIQBTWKXZUCQQ-UHFFFAOYSA-N 202.253 2.583 0 30 BFAC O=C(O)[C@H]1CC[C@H]1n1cc(-c2ccccc2)cn1 129458412 SVRPQELBVVTWSW-QWHCGFSZSA-N 242.278 2.586 0 30 BFAC Brc1ccccc1[C@@H]1CCO1 220703656 RIYKDHUJZQLYHP-VIFPVBQESA-N 213.074 2.911 0 30 BFAC O[C@H]1CCCc2cccc(Br)c21 21988226 VGKQBLJDZZWFRS-VIFPVBQESA-N 227.101 2.819 0 30 BFAC [O-][N+](=Cc1ccccc1)Cc1ccccc1 33978777 UBINNYMQZVKNFF-UHFFFAOYSA-N 211.264 2.816 0 30 BFAC CC1(Nc2nc(CC(=O)O)cs2)CCCC1 87665382 PVLIGKKKZPTCIN-UHFFFAOYSA-N 240.328 2.515 0 30 BFAC O=C(O)C1(c2cccc(OC(F)(F)F)c2)CC1 95094324 KWULESULVXCFJM-UHFFFAOYSA-N 246.184 2.701 0 30 BFAC in-vitro O=C(Nc1ccc(-c2cnco2)cc1)C1CC1 143416 PEBNNWSFGOLCJY-UHFFFAOYSA-N 228.251 2.690 0 30 BFAC CCC1=Cc2ccccc2[C@H]1NC(C)=O 5792092 OBAIYYXAMWNGIW-ZDUSSCGKSA-N 201.269 2.671 0 30 BFAC CC(C)OC[C@H](O)c1ccc(Cl)c(F)c1 86519645 LTCCTBWSRRHJDA-NSHDSACASA-N 232.682 2.938 0 30 BFAC in-vitro O=C(O)[C@H]1CC[C@@H]1c1ccccc1Cl 87924462 VOKNTOGPWOSSAQ-APPZFPTMSA-N 210.660 2.918 0 30 BFAC Cc1c(F)cccc1N[C@@H]1CCO[C@@H]1C 96034084 CIMIYNZAUYZLTD-BXKDBHETSA-N 209.264 2.723 0 30 BFAC in-vitro Cc1ccc2ccccc2c1N1C(=O)C=CC1=O 1850175 MEZJQXVOMGUAMP-UHFFFAOYSA-N 237.258 2.578 0 30 BFAC COc1ccc(NCC2CC2)cc1OC 37118276 DOFKDTXUKFBWPN-UHFFFAOYSA-N 207.273 2.526 0 30 BFAC Oc1ccc(F)c(NCC(F)(F)F)c1 141333677 JIMMBWZVEVFTHK-UHFFFAOYSA-N 209.142 2.506 0 30 BFAC C[C@@H]1C[C@H](NC2=NCCO2)c2ccccc2[C@@H]1C 199491413 STOFOBPMKOMLJB-GYSYKLTISA-N 244.338 2.847 0 30 BFAC CC1(C)CN[C@H]1c1nccn1Cc1ccccc1 616582355 OAXVTOMJXOXFIH-ZDUSSCGKSA-N 241.338 2.602 0 30 BFAC COc1ccc([C@@H]2C[C@@H](C)CN2)c(C)c1C 3704414 DMYWBWPJMGFYQI-RNCFNFMXSA-N 219.328 2.983 0 30 BFAC CCOC(=O)c1[nH]c2cc(Cl)ccc2c1O 34433736 FLSIBDXQAOHFCX-UHFFFAOYSA-N 239.658 2.704 0 30 BFAC O[C@@H]1CCc2ncccc2[C@H]1c1ccccc1 142724520 NUOVNDWXMWELJC-HUUCEWRRSA-N 225.291 2.521 0 30 BFAC O=C(OCc1ccoc1)c1ccccc1 2545322 NHIRTJIIALGHKG-UHFFFAOYSA-N 202.209 2.637 0 30 BFAC COC(C)(C)c1cccc(Br)n1 224385714 UQRZDGPZGJPDJX-UHFFFAOYSA-N 230.105 2.726 0 30 BFAC N=C(N)SCCCC(F)(F)C(F)(F)F 59155331 RNQIVWKJXQMLNQ-UHFFFAOYSA-N 236.209 2.591 0 30 BFAC CC(C)(C)OC(=O)NC1(C(F)(F)F)CC1 105638588 GHEKGGDYVHWSBM-UHFFFAOYSA-N 225.210 2.606 0 30 BFAC CN(CC(=O)c1ccccc1)C(=O)OC(C)(C)C 38255901 WFKSNAFHIMNMLV-UHFFFAOYSA-N 249.310 2.736 0 30 BFAC CC[C@H](C)N1C[C@@H](O)Cc2ccc(C)cc21 255977412 HTGTXWKSFMCXJN-AAEUAGOBSA-N 219.328 2.517 0 30 BFAC Cc1ccc2nc(Cl)cc(C(=O)O)c2c1 875139 DBVJVWSJCKOPQO-UHFFFAOYSA-N 221.643 2.895 0 30 BFAC c1ccc(C[C@@H]2N[C@@H]2c2ccccc2)cc1 31719364 HKLCRSPWWWHDBV-LSDHHAIUSA-N 209.292 2.942 0 30 BFAC CCc1ccc(/C=C2\C[C@@H](C)NC2=O)cc1 39101825 MWWLLSRNQVCXEM-QQMDNXKGSA-N 215.296 2.541 0 30 BFAC CC(C)c1c(N)nnn1-c1ccc(Cl)cc1 86454111 WKJFLHZTHOIYFM-UHFFFAOYSA-N 236.706 2.626 0 30 BFAC Cc1nc(OCc2ccccc2)ccc1N 89065546 CSVUNRXYGAQHJU-UHFFFAOYSA-N 214.268 2.551 0 30 BFAC CCOP(=O)(OCC)[C@H](C(C)C)N(C)C 31719635 HQMLADKXOBVELJ-SNVBAGLBSA-N 237.280 2.796 0 30 BFAC O=C(O)c1ccc([C@H]2CC(=O)C23CCC3)cc1 2265383686 PCGQBBXUFOQTND-LLVKDONJSA-N 230.263 2.612 0 30 BFAC CCc1nc2cc3c(cc2[nH]1)NCC3(C)C 4767039 GPILZKKQOIFYME-UHFFFAOYSA-N 215.300 2.828 0 30 BFAC Cc1cc2cc(C(=O)O)c(C)nc2cc1C 32099226 HTABCEYMZVHZAM-UHFFFAOYSA-N 215.252 2.858 0 30 BFAC N[C@H](c1cccc(F)c1F)C(F)(F)F 72194735 AHYCQEHQDOPPIQ-SSDOTTSWSA-N 211.133 2.527 0 30 BFAC in-vitro C[C@@H](N)c1cc(F)cc(Br)c1 83592071 KQHQVFFNZTTXGA-RXMQYKEDSA-N 218.069 2.608 0 30 BFAC Cc1cc(Cl)c2[nH]nc(Br)c2n1 89219823 WPVDNHUFUJJDKA-UHFFFAOYSA-N 246.495 2.682 0 30 BFAC CCCn1cc(C(C)=O)c2ccncc21 98179035 UUYIKVHZNWYIGU-UHFFFAOYSA-N 202.257 2.649 0 30 BFAC CC(C)(C)O[C@H]1C[C@H](CC(=O)O)C12CCC2 1535647385 NASFZMMVSAMIDG-ZJUUUORDSA-N 226.316 2.835 0 30 BFAC CC(C)(C(=O)O)c1cc(Cl)ccc1F 82535743 VRAOGMIEDMZNMX-UHFFFAOYSA-N 216.639 2.841 0 30 BFAC O=C(O)[C@H]1C2C[C@H]3C4CC5C[C@@H]3C1[C@H](C5)[C@H]4C2 2246339525 ITYGSFVLZZPKCH-FLHSTGPESA-N 232.323 2.635 0 30 BFAC CNCc1ccc(C(F)(F)F)cc1F 59071865 IHUVWXLABNVSQN-UHFFFAOYSA-N 207.170 2.564 0 30 BFAC Nc1noc(-c2ccccc2)c1Br 82304853 SKMYIFOUGLCRPK-UHFFFAOYSA-N 239.072 2.686 0 30 BFAC Cc1ccc2c(c1)[C@H](N)CC1(CCC1)O2 95616529 RUNVSOMNFPRONY-LLVKDONJSA-N 203.285 2.700 0 30 BFAC Cc1cc(C)c(NC(=S)N(C)C)cc1C 13658975 KWZNNBMPOXVUQZ-UHFFFAOYSA-N 222.357 2.870 0 30 BFAC Brc1cccc(C2=NCCS2)c1 33638109 OWPRMBKHCKLEQB-UHFFFAOYSA-N 242.141 2.943 0 30 BFAC C[C@@H](O)c1ccc(C(F)(F)F)cc1F 95637101 VTMYIFLWZWVKBQ-RXMQYKEDSA-N 208.154 2.898 0 30 BFAC Cc1cc(C(=O)O)c(C(=O)O)cc1C(C)C 33607548 JXJMQLWUVREZGB-UHFFFAOYSA-N 222.240 2.515 0 30 BFAC C[C@@H]1NCCc2cccc(Br)c21 83692584 SHWORAACFRCOEV-ZETCQYMHSA-N 226.117 2.656 0 30 BFAC CC1(C)CC(=O)c2sc(Cl)nc2C1 91302156 VAVJKSMPPLPQAA-UHFFFAOYSA-N 215.705 2.952 0 30 BFAC O=C(O)c1ccc(-c2nc3ccccc3[nH]2)o1 95935640 CDMKSEPSILMYEO-UHFFFAOYSA-N 228.207 2.521 0 30 BFAC O=C1CCNc2ccc(Br)c(F)c21 307275570 RFXSPMNACKFIDN-UHFFFAOYSA-N 244.063 2.587 0 30 BFAC O=C1CCN(c2c(F)cc(Cl)cc2F)CC1 1951320418 KUMPESHMRZHDAD-UHFFFAOYSA-N 245.656 2.788 0 30 BFAC CC[C@H](C)COC(=O)/C=C/c1ccc(N)cc1 34190833 OUZTVIGSXSIPAZ-LAHYYIKRSA-N 233.311 2.871 0 30 BFAC c1cc2c(cc1[C@H]1CCCNC1)CCC2 57491033 ZFZKHTUOSOWZPW-AWEZNQCLSA-N 201.313 2.642 0 30 BFAC O=C(O)CCCC(=O)n1ccc2ccccc21 82297671 XAVSTQXHBOXZIB-UHFFFAOYSA-N 231.251 2.536 0 30 BFAC Cc1ncc(Br)n1C(C)C 113455707 OSYGAWQBSPUSCP-UHFFFAOYSA-N 203.083 2.535 0 30 BFAC in-vitro CC(C)C(=O)[C@@H]1CC[C@@]2(C)CCC(=O)C=C12 223664662 ORJUTLLEFWUPNP-BXUZGUMPSA-N 220.312 2.917 0 30 BFAC O=CN1[C@@H]2CCCC[C@@H]2[C@H]2CCCC[C@H]21 267327751 OZGORQAYQOJQGC-FDYHWXHSSA-N 207.317 2.576 0 30 BFAC CC(C)(C)C(=O)Nc1cc(Cl)c(C=O)cn1 390209576 UQEKUHOYSLUYDE-UHFFFAOYSA-N 240.690 2.532 0 30 BFAC CCc1ccc2ccccc2c1S(=O)(=O)O 33606614 JCRMBLKUFLUWPU-UHFFFAOYSA-N 236.292 2.649 0 30 BFAC Brc1nccn1-c1ccccc1 34936272 KKPQUNLAAJJUCR-UHFFFAOYSA-N 223.073 2.635 0 30 BFAC in-vitro Cc1cc(Oc2ccncc2)ccc1N 36667212 NSHZGORUSBOLRR-UHFFFAOYSA-N 200.241 2.765 0 30 BFAC COCCOc1ccc(Br)cc1C 57523416 LZDYCMPFSALROC-UHFFFAOYSA-N 245.116 2.783 0 30 BFAC CC(C)(C)c1cnc(Br)o1 96529267 IIZKRONXWSSBHO-UHFFFAOYSA-N 204.067 2.735 0 30 BFAC FC(F)(F)Oc1ccc(C[C@H]2CCNC2)cc1 134756255 QZFHXDQTRDYSCJ-SNVBAGLBSA-N 245.244 2.737 0 30 BFAC CC(C)C(=O)O[C@@H]1C[C@H]2C[C@@H]1[C@H]1C=CC[C@H]21 5359037 QNEXACLQEWOALO-UJPOAAIJSA-N 220.312 2.786 0 30 BFAC Cc1ccc(F)cc1C[C@@H]1CCCNC1 32099141 SFQUIEKIMLZFCT-NSHDSACASA-N 207.292 2.676 0 30 BFAC NC[C@@H](c1ccccc1Cl)C(F)(F)F 82719068 GSIGMXDZYQSBQT-ZETCQYMHSA-N 223.625 2.945 0 30 BFAC O=C(S)[C@H](c1ccccc1)C(F)(F)F 221626076 QGDROGXJOSLWFJ-ZETCQYMHSA-N 220.215 2.789 0 30 BFAC Cc1ccc2c(Br)cnn2c1C 238514174 IFKGSJCSVWVLOA-UHFFFAOYSA-N 225.089 2.714 0 30 BFAC O=C(O)[C@@]1(c2ccccc2)CC12CCCC2 19089321 IPJKMOYQWMAWPO-AWEZNQCLSA-N 216.280 2.973 0 30 BFAC Cc1cc2c(cc1Br)[C@@H](N)CCO2 238485608 WTCDOBVYPQNVCJ-VIFPVBQESA-N 242.116 2.540 0 30 BFAC CNC(=S)Sc1ccc(F)cc1F 77187 HMXOVJKWKSCWLS-UHFFFAOYSA-N 219.281 2.561 0 30 BFAC C/C(=C\C(=O)C(F)(F)F)C(F)(F)F 1847499 WRMWSVCCMDLQCJ-NSCUHMNNSA-N 206.085 2.626 0 30 BFAC O=C(O)CCn1ccc2cc(Cl)ccc21 82600107 QUMLYCMUFWVGGA-UHFFFAOYSA-N 223.659 2.769 0 30 BFAC in-vitro CCCCCO[C@H]1CC[C@H](C(=O)O)CC1 389461994 GOANVKCSYKXGPD-XYPYZODXSA-N 214.305 2.837 0 30 BFAC CC1(C(Cl)(Cl)Cl)C=CC(O)C=C1 1735928 KVSODBDEYXPYND-UHFFFAOYSA-N 227.518 2.850 0 30 BFAC C[C@H](O)COC(=O)CCCCCC(C)(C)C 148484877 FKJCCFRFRZONNO-NSHDSACASA-N 230.348 2.907 0 30 BFAC C[S@@](=O)Cc1ccc(Cl)cc1Cl 526871991 SKQCYHIEKULPKR-GFCCVEGCSA-N 223.124 2.872 0 30 BFAC CCSC[C@H](Cc1ccc(F)cc1F)NC 83485548 PJONRLOZUOJSIA-NSHDSACASA-N 245.338 2.848 0 30 BFAC CC1=C(C)c2cccc(C)c2C(=O)C1=O 39096145 GBCQXPRZEBKDBI-UHFFFAOYSA-N 200.237 2.554 0 30 BFAC CC1(C)CC(=O)CCN(C(=O)OC(C)(C)C)C1 521398980 HSWICCNIMXTPPT-UHFFFAOYSA-N 241.331 2.613 0 30 BFAC CCn1nc(-c2cccc(C)c2)c2c1NCC2 3707785 MJNBHPQBKUOLGN-UHFFFAOYSA-N 227.311 2.846 0 30 BFAC Fc1cc(Br)ccc1[C@@H]1CCN1 84179020 HUVCZCCYFYIYPL-VIFPVBQESA-N 230.080 2.623 0 30 BFAC CCOC(=O)[C@@H](C)Cc1ccc(F)cc1 95883568 SWDBIRSOBQVYMU-VIFPVBQESA-N 210.248 2.567 0 30 BFAC in-vitro COCCCCC1(O)C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1 256431438 PBMHFJBOPZVADA-IGQOVBAYSA-N 238.371 2.990 0 30 BFAC O=C(O)c1cc(F)c(C(F)F)c(F)c1 307180945 PSTDZQKSEAWEFV-UHFFFAOYSA-N 208.110 2.601 0 30 BFAC CN[C@@H](CCc1ccccc1)C(F)(F)F 82717485 LQFCSPDOZDULRB-JTQLQIEISA-N 217.234 2.770 0 30 BFAC CC1(C(=O)CC(=O)c2ccccc2)CC1 87364761 VROSZUDQONYAAF-UHFFFAOYSA-N 202.253 2.629 0 30 BFAC CC(=O)OCc1cc(F)ccc1Br 143952599 AXHCVKANZXHHBP-UHFFFAOYSA-N 247.063 2.651 0 30 BFAC Fc1ccc([C@H]2CC(F)(F)CCN2)cc1 215763629 CLEUNRCGHFSUAV-SNVBAGLBSA-N 215.218 2.886 0 30 BFAC C[C@@H](O)c1cc(Br)cc2ncoc12 41652832 YUXPAHWQIBSTSX-RXMQYKEDSA-N 242.072 2.644 0 30 BFAC in-vitro CC1(C)CC(=O)[C@@H]2[C@@H]3OCCC[C@H]3[C@@]2(C)C1 256434817 NSKPIVOZPLDHHW-XIDUGBJDSA-N 222.328 2.807 0 30 BFAC COc1cccc(N[C@H](CN)c2ccccc2)c1 57533937 QTSOFJYLPQGFMK-OAHLLOKOSA-N 242.322 2.807 0 30 BFAC in-vitro c1ccc2c(c1)N[C@H]([C@@H]1Nc3ccccc3O1)O2 12410539 JLEHJOWNCWUHER-OKILXGFUSA-N 240.262 2.648 0 30 BFAC CC[C@H](c1ccccc1)N1CCC(CN)CC1 44511751 FTMDCNYJPYEZEB-OAHLLOKOSA-N 232.371 2.808 0 30 BFAC O=C(O)C(F)(F)c1ccccc1C(F)(F)F 55233944 XXGYJZCVWVRSGB-UHFFFAOYSA-N 240.127 2.882 0 30 BFAC in-vitro CCCC(=O)O[C@@H]1C[C@H]2C[C@H]1[C@H]1CC=C[C@H]12 263589290 HVEOFLOFUBUHEQ-QNWJLWSRSA-N 220.312 2.930 0 30 BFAC CCC=CCCOC(=O)c1ccccc1O 2265306971 IEPWIPZLLIOZLU-UHFFFAOYSA-N 220.268 2.905 0 30 BFAC O=C(O[C@@H]1CC1(Cl)Cl)c1ccccc1 88317 BVDLKOWNKUCLAH-MRVPVSSYSA-N 231.078 2.790 0 30 BFAC Brc1cnc(N2CCCCC2)s1 44116956 VVMQJNGRRLUFGC-UHFFFAOYSA-N 247.161 2.896 0 30 BFAC COc1c(NC(=O)N(C)C)csc1Cl 165906 PTCDRWSSPGZWBH-UHFFFAOYSA-N 234.708 2.504 0 30 BFAC C[C@@H](C(=O)O)c1ccc([C@@H]2OC2(C)C)cc1 22063109 SKAHDOGTKBOBNX-KCJUWKMLSA-N 220.268 2.725 0 30 BFAC in-vitro O=C(O)c1nccc2cccc(Cl)c12 72986130 RONJBMQEGNIWNL-UHFFFAOYSA-N 207.616 2.586 0 30 BFAC N=C(O)C1(c2c(F)cccc2F)CCC1 334149817 IWEXETWMBHLGJQ-UHFFFAOYSA-N 211.211 2.922 0 30 BFAC CCCC[C@H](CC)COCC(OC)OC 5822139 DMBSAAZSRLMQPK-NSHDSACASA-N 218.337 2.838 0 30 BFAC O=C(O)/C=C/c1sc(Cl)nc1Cl 37430135 TVXBTQFRECSSDK-OWOJBTEDSA-N 224.068 2.548 0 30 BFAC CC(C)c1ccc([C@H]2CCCNC2=O)cc1 57498542 WMQWARAWWGWKHT-CYBMUJFWSA-N 217.312 2.804 0 30 BFAC O[C@H](c1ccc2c(c1)OCO2)C1CCCC1 36160168 HUEXNQXGJDCZDN-ZDUSSCGKSA-N 220.268 2.639 0 30 BFAC COC(=O)c1ccc2cc[nH]c2c1Cl 89209066 ZQBUSCBNCSXBAK-UHFFFAOYSA-N 209.632 2.608 0 30 BFAC in-vitro COC(=O)/C=C(\C)CC(=O)C1CCCCC1 103831303 BICXXVISHWTVBS-MDZDMXLPSA-N 224.300 2.645 0 30 BFAC COc1ccc(Br)nc1Cl 215563417 CDTGXQKYYONNKB-UHFFFAOYSA-N 222.469 2.506 0 30 BFAC in-vitro CCCc1cc(=O)c2cc(F)ccc2[nH]1 32099913 FTDKXHIOCYNNLL-UHFFFAOYSA-N 205.232 2.620 0 30 BFAC CC[C@H](C)C(=O)OCCc1cccs1 33637150 XSDPFNMJFNZEIN-VIFPVBQESA-N 212.314 2.880 0 30 BFAC COc1ccccc1Oc1ccc(C(=O)O)nc1 84073079 YYBBRQQDDVCGNB-UHFFFAOYSA-N 245.234 2.581 0 30 BFAC Cc1cc(CC2CNC2)ccc1Br 1536050127 KCHRUPXDXYYMGF-UHFFFAOYSA-N 240.144 2.519 0 30 BFAC NCCS[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2 2265293949 OZPHISPFLDEVDS-CDECOKDKSA-N 211.374 2.647 0 30 BFAC C[C@H](NCCC(=O)O)c1cccc2ccccc12 2568270 YSIPERGEZFWJIB-NSHDSACASA-N 243.306 2.965 0 30 BFAC COC(=O)c1cc(-c2ccccc2)ccc1N 21950864 OHCDSOWRUPEPSV-UHFFFAOYSA-N 227.263 2.722 0 30 BFAC O=C(CCc1ccccc1)c1ccccn1 34119821 LAXVQHXHJNNNBM-UHFFFAOYSA-N 211.264 2.897 0 30 BFAC CCCC[C@@H]1CC(=O)C[C@@H]1CC(=O)OCC 114351604 KJSWNAOSCNRYLQ-GHMZBOCLSA-N 226.316 2.725 0 30 BFAC OCCCc1ccc(F)cc1Br 38841789 GRTDLROMMMKRNI-UHFFFAOYSA-N 233.080 2.513 0 30 BFAC CCc1cccc2c1nc1n2CCCC1 45238589 ASHSHDWZLHSXCL-UHFFFAOYSA-N 200.285 2.935 0 30 BFAC C[C@@H]1C[C@@H](NC2=NCCO2)c2ccccc2[C@@H]1C 199491442 STOFOBPMKOMLJB-JTNHKYCSSA-N 244.338 2.847 0 30 BFAC Cc1ccc(C)n1-c1ccc(Cl)nn1 72233155 AMSXUBFXRPMBAI-UHFFFAOYSA-N 207.664 2.538 0 30 BFAC Clc1nc2ccnc(Cl)c2s1 108646086 HIYVZTZRTOHOAR-UHFFFAOYSA-N 205.069 2.998 0 30 BFAC CC[C@@H](c1ccccc1)c1nccn1C 116372082 PMNLRWZXTMYBOV-LBPRGKRZSA-N 200.285 2.962 0 30 BFAC O=C(O)CCc1ccc2nc(Cl)sc2c1 140612987 NUBWWTKDRCILDM-UHFFFAOYSA-N 241.699 2.967 0 30 BFAC FC(F)(F)CNc1nc(Cl)cc(Cl)n1 146018396 PRPJTUFPOZJOQH-UHFFFAOYSA-N 246.019 2.758 0 30 BFAC in-vitro Cc1cc(OCCN(C)C)c(C(C)C)cc1N 3632327 XREANCSQIIFTTF-UHFFFAOYSA-N 236.359 2.641 0 30 BFAC O=C(O)CCCCCc1cccc2nccn12 4217327 XQPFEMWDLRHQCO-UHFFFAOYSA-N 232.283 2.522 0 30 BFAC in-man Nc1c(Cl)ccc(Br)c1S 83400761 MKYXGIGJQFEELL-UHFFFAOYSA-N 238.537 2.973 0 30 BFAC in-vitro CC(C)OC(=O)Cc1nc2ccccc2s1 95756380 PLFLHUCMTYDWNS-UHFFFAOYSA-N 235.308 2.790 0 30 BFAC FC(F)Oc1ccc(CC2CCNCC2)cc1 258198003 BQJVAEGMYKBFSB-UHFFFAOYSA-N 241.281 2.830 0 30 BFAC Oc1noc(C2CCNCC2)c1-c1ccccc1 13607826 QTEBXBALJGPXEP-UHFFFAOYSA-N 244.294 2.514 0 30 BFAC in-vivo OC12C[C@@H]3CC(C[C@H](C3)C1)N2Cc1ccccc1 101437657 MJNYRQGREJARAA-FXQLRMTLSA-N 243.350 2.770 0 30 BFAC CCOP(=O)(Cc1cccnc1)OCC 29323814 GSYCFXHFGKXCLR-UHFFFAOYSA-N 229.216 2.848 0 30 BFAC COC(=O)[C@@H](NCCC(C)(C)C)C(C)(C)C 71602689 MMVQMDJXKBGDGR-SNVBAGLBSA-N 229.364 2.600 0 30 BFAC COc1cccc(C2(N)CC3(CCC3)C2)c1 83174125 UPBGFRITQLQGSJ-UHFFFAOYSA-N 217.312 2.813 0 30 BFAC COc1cc(F)cc(-c2noc(Cl)n2)c1 307360645 GFZFKCKGLSAAEF-UHFFFAOYSA-N 228.610 2.538 0 30 BFAC in-vitro CC(C)NC(=O)c1cc(Cl)c(N)c(Cl)c1 2000316 HIBIEKXBXDTLQI-UHFFFAOYSA-N 247.125 2.714 0 30 BFAC CC(C)c1ccc2[nH]cc(CCN)c2c1 13782884 YKOUFPQHZNOHEZ-UHFFFAOYSA-N 202.301 2.793 0 30 BFAC CC(C)CC[C@@H]1[C@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 100087412 OAJJYJXUTGGAPX-YFKTTZPYSA-N 208.301 2.946 0 30 BFAC Cc1cc(Br)ccc1[C@@H](C)O 125752770 VSWSYSAPIMMMDL-SSDOTTSWSA-N 215.090 2.811 0 30 BFAC Clc1ccc2c(c1)NCCN2C1CC1 87262011 ZJVRTAJCLNQYJX-UHFFFAOYSA-N 208.692 2.734 0 30 BFAC in-vitro Cc1ccc2cnoc2c1Br 238531336 AGJMYBGYWPWWFI-UHFFFAOYSA-N 212.046 2.899 0 30 BFAC CC[C@@H](Cc1ccccc1Br)NC 37468582 WHOFNJVWHZUXKS-JTQLQIEISA-N 242.160 2.990 0 30 BFAC in-vitro CC[C@@H]1CC[C@@](CC)(COC(C)=O)OC1 137378491 JKDKDEYZHCJMDU-NEPJUHHUSA-N 214.305 2.535 0 30 BFAC CSc1nc2nc(Cl)ccc2o1 214257702 MVDLTIDHEFORCH-UHFFFAOYSA-N 200.650 2.598 0 30 BFAC Oc1nc(=S)oc2ccc(Cl)cc12 3636197 FKTCPMDMVWVZLQ-UHFFFAOYSA-N 213.645 2.916 0 30 BFAC N[C@H](c1ccccc1OC(F)F)C(F)(F)F 72195193 WSBGPPQVFZYRJB-SSDOTTSWSA-N 241.159 2.850 0 30 BFAC in-vitro O=C(CCN1CCCCC1)[C@@H]1C[C@H]2C=C[C@H]1C2 111899899 KRQADKCTBWUTRW-MELADBBJSA-N 233.355 2.644 0 30 BFAC Oc1cnn(Cc2cccc(C(F)(F)F)c2)c1 228044951 HKCVRUBNUMMITQ-UHFFFAOYSA-N 242.200 2.656 0 30 BFAC Cc1cc(C)c(Cc2c[nH]cn2)c(C)c1 33876221 UFNKBCQULKNTEN-UHFFFAOYSA-N 200.285 2.926 0 30 BFAC C[C@@]1(Cl)C[C@H](c2ccccc2)OC1=O 5764298 IVPWPXOKZYCQNZ-MWLCHTKSSA-N 210.660 2.672 0 30 BFAC Clc1cnc(Br)c2[nH]ccc12 89213124 UDKUOXRKQJWILR-UHFFFAOYSA-N 231.480 2.979 0 30 BFAC CCOC(=O)[C@@H]1[C@H]2Cc3c(Cl)cccc3[C@H]21 521399611 MYVRUTSAZYJHCF-MVWJERBFSA-N 236.698 2.789 0 30 BFAC Oc1nc(-c2ccccc2Cl)nc(=S)[nH]1 164574 MLPIDKSZYQWMCC-UHFFFAOYSA-N 239.687 2.560 0 30 BFAC CC[C@@H](C)COC(=O)c1ccc(N(C)C)cc1 5139963 DDFJYMPPPJNZME-LLVKDONJSA-N 235.327 2.956 0 30 BFAC C[C@@H](N)Cc1ccccc1C(F)(F)F 6036871 MBSQCJRYAIIWCP-SSDOTTSWSA-N 203.207 2.595 0 30 BFAC NC[C@H](c1ccccc1Cl)C(F)(F)F 82719067 GSIGMXDZYQSBQT-SSDOTTSWSA-N 223.625 2.945 0 30 BFAC OC[C@@H]1C[C@H]1c1ccc(Br)s1 88158793 HNGXFXAIUCCAMD-NTSWFWBYSA-N 233.130 2.606 0 30 BFAC Oc1ncc(Br)c2cccc(F)c12 642885201 XJOFSSMNYVHGAQ-UHFFFAOYSA-N 242.047 2.842 0 30 BFAC CCOC(=O)C1(CNC2CCCCC2)CCC1 1180304743 AFNCCOJNPGCVLN-UHFFFAOYSA-N 239.359 2.642 0 30 BFAC O=Cc1c[nH]c2c(Cl)nc(Cl)cc12 44185341 TYAALXRKDYAAMQ-UHFFFAOYSA-N 215.039 2.682 0 30 BFAC in-vitro CC(=O)CC(=O)c1c(F)cccc1Cl 238083373 ORIDGQVSKPBTRN-UHFFFAOYSA-N 214.623 2.641 0 30 BFAC O=C(O)CCCN1CC=C(c2ccccc2)CC1 171123 OGXJKONEOABCNW-UHFFFAOYSA-N 245.322 2.641 0 30 BFAC COc1ccc2[nH]c(CCN(C)C)c(C)c2c1 2006819 MOPJNTWIGWMXNZ-UHFFFAOYSA-N 232.327 2.589 0 30 BFAC C[C@@]1(Cl)C[C@](C)(c2ccccc2)OC1=O 33610142 AIOSGNIKZIVZJX-VXGBXAGGSA-N 224.687 2.846 0 30 BFAC O=C(O)c1ccc(-c2ccc(F)c(F)c2)[nH]1 77334818 OBZBJMFEVKYPDB-UHFFFAOYSA-N 223.178 2.658 0 30 BFAC CCN(CC)C(=O)n1cc(C=O)c2ccccc21 34102110 HUFMZJODWSSQOQ-UHFFFAOYSA-N 244.294 2.764 0 30 BFAC COc1cccc2c1CC[C@H](N(C)C)[C@H]2C 34143597 ZCNTYKAJYPYMNL-GWCFXTLKSA-N 219.328 2.675 0 30 BFAC COc1ccc(Br)c(F)c1OC 142437582 IHJFWBQOLVRPTK-UHFFFAOYSA-N 235.052 2.605 0 30 BFAC CCCCCC[C@H](CCOC(C)=O)OC(C)=O 2563356 XUVKIVFZTRZJRP-CYBMUJFWSA-N 244.331 2.842 0 30 BFAC Fc1ccccc1Cc1n[nH]c2ncccc12 89224517 VQVLZLRPTABICQ-UHFFFAOYSA-N 227.242 2.688 0 30 BFAC Cc1ccccc1-c1nc(N)sc1F 1535641484 HHTMXNNOPQKHMZ-UHFFFAOYSA-N 208.261 2.840 0 30 BFAC COc1ccc(Sc2ccc(F)cc2)nn1 138430450 XOSZDFFWFSUHFO-UHFFFAOYSA-N 236.271 2.776 0 30 BFAC COC(=O)c1scc2c(C)c(C)cnc12 238371123 XOJBAYYPFRKCJH-UHFFFAOYSA-N 221.281 2.700 0 30 BFAC CC1=C(C(=O)Nc2ccccc2)CCCO1 2014447 YPCALTGLHFLNGA-UHFFFAOYSA-N 217.268 2.710 0 30 BFAC biogenic,in-vitro CC1(C)[C@@H](C(=O)O)[C@]12C=Cc1ccccc12 5765663 RXTAQAPVUFGHOU-BXUZGUMPSA-N 214.264 2.692 0 30 BFAC CC[C@H]1CCCN(c2ncc(N)cc2C)C1 52812823 HNRUJLWISIHXSN-NSHDSACASA-N 219.332 2.599 0 30 BFAC in-vitro CC(C)(COCc1ccccc1)CC(=O)O 575436658 OMBUPABVWFCVGK-UHFFFAOYSA-N 222.284 2.704 0 30 BFAC O=C(O)C1(c2ccc(C(F)(F)F)c(F)c2)CC1 1536063782 STQNCAJTOJAINA-UHFFFAOYSA-N 248.175 2.961 0 30 BFAC COc1cc(Br)cnc1SC 95884057 VEAFDNQQHXZJNR-UHFFFAOYSA-N 234.118 2.575 0 30 BFAC in-vitro C[C@@H]1CNC[C@@H]1c1ccc(Br)cc1 77385610 QXUJIOLCDXSPIW-KCJUWKMLSA-N 240.144 2.772 0 30 BFAC OCc1oc2ccccc2c1Br 141541856 WOLMUPDGDOIEEX-UHFFFAOYSA-N 227.057 2.688 0 30 BFAC CN1c2ccccc2C(=O)N[C@H]1[C@@H]1CC=CCC1 215682234 KYUVQEQHOIPTET-BXUZGUMPSA-N 242.322 2.549 0 30 BFAC Cc1cscc1I 147445703 KUQPOXUMOAGCRB-UHFFFAOYSA-N 224.066 2.661 0 30 BFAC O=C(O)c1csc(Br)c1Cl 606290045 VBYYSQWTPZHGLT-UHFFFAOYSA-N 241.493 2.862 0 30 BFAC C=CC(=O)Nc1ccc(OC(F)(F)F)cc1 109418 WPRULEHIAACULX-UHFFFAOYSA-N 231.173 2.710 0 30 BFAC CCC(=O)N(c1ccccc1)C1CCN(C)CC1 28004003 PCMUWYHREXSXFM-UHFFFAOYSA-N 246.354 2.524 0 30 BFAC in-vitro Clc1nccc(NCCc2ccccc2)n1 38579717 CMNXTFABPLODRI-UHFFFAOYSA-N 233.702 2.785 0 30 BFAC CCOc1ccc([C@@]2(C)CCC2=O)cc1 39099273 PDYVYTKCZLQUMJ-CYBMUJFWSA-N 204.269 2.706 0 30 BFAC N[C@@H]1CCCc2ccc(OC(F)F)cc21 222259245 UTFKBYMLHLOJKK-SNVBAGLBSA-N 213.227 2.624 0 30 BFAC O=C(O)c1ccncc1Cc1cccc(F)c1F 2524995 DOTXILIPZXGHOS-UHFFFAOYSA-N 249.216 2.649 0 30 BFAC CC[C@H](N)c1nc2cc(Cl)ccc2[nH]1 35411230 OOXCUMVDAIKTEP-ZETCQYMHSA-N 209.680 2.626 0 30 BFAC O=C(O)CCc1ccc2ccccc2c1O 60076205 NPGXXEAJMZJFSK-UHFFFAOYSA-N 216.236 2.563 0 30 BFAC COC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 108685417 SQPPVXPLDGRDTH-RNFRBKRXSA-N 210.195 2.528 0 30 BFAC CSc1sc(C(=O)O)c(C)c1[C@H](C)O 170921 XDSUEEDILJKREI-YFKPBYRVSA-N 232.326 2.530 0 30 BFAC O=C(O)COCc1ccc(Cl)c(Cl)c1 5784595 MWZJIYRBTKZIPI-UHFFFAOYSA-N 235.066 2.595 0 30 BFAC O=C(O)C[C@@H](O)c1ccc(Cl)c(Cl)c1 34618322 XQNPGHLOSZWLSD-MRVPVSSYSA-N 235.066 2.502 0 30 BFAC Cc1cc(Cl)nc2cc(C(=O)O)ccc12 82289723 CBLBHUDIYIBOAT-UHFFFAOYSA-N 221.643 2.895 0 30 BFAC CC(C)(C)c1ccc(O)c(C(=O)c2cn[nH]c2)c1 90713750 OEOWPJNIJFGODZ-UHFFFAOYSA-N 244.294 2.644 0 30 BFAC Cn1ccnc1C(=O)CC1CCCCC1 105779220 OEERAAGEUQZOPA-UHFFFAOYSA-N 206.289 2.573 0 30 BFAC FC(F)(Cl)Oc1ccc(Cl)nc1 144625439 WHUYCOMPLSDMQI-UHFFFAOYSA-N 213.998 2.903 0 30 BFAC CCC1(CC)CC(=O)CN1C(=O)OC(C)(C)C 2265384742 SNVWZXIYQZOCRR-UHFFFAOYSA-N 241.331 2.755 0 30 BFAC C=C(OCCCC)C1=CC(=O)O[C@H](C)C1 26896816 KOTRYNPQGQIDJS-SECBINFHSA-N 210.273 2.579 0 30 BFAC O=C(O)[C@H](CC(F)(F)F)c1ccc(F)cc1 86366016 VVYQURBTETUHHS-MRVPVSSYSA-N 236.164 2.946 0 30 BFAC O=C(O)c1ccc(-c2ccc(S)cc2)nc1 958690585 MARYMYLFKMSHPK-UHFFFAOYSA-N 231.276 2.736 0 30 BFAC Cn1c(=S)[nH]c2cc(C(F)(F)F)cnc21 123209 XVXFGBWEKGWGTN-UHFFFAOYSA-N 233.218 2.650 0 30 BFAC CNC(=O)Oc1ccccc1CCCSC 2018345 NBUCQPQCJZGMQW-UHFFFAOYSA-N 239.340 2.700 0 30 BFAC OCc1cccc(-c2ccc(Cl)cn2)c1 71791986 DAQFEURCKSCJBE-UHFFFAOYSA-N 219.671 2.894 0 30 BFAC O=C1CC[C@@H]1c1ccccc1Br 237961936 PVIVRRMYFDHNRC-MRVPVSSYSA-N 225.085 2.896 0 30 BFAC N[C@@]1(c2ccc(Cl)cc2)CC1(F)F 1536097960 QTCBCEXDNQFVQT-MRVPVSSYSA-N 203.619 2.533 0 30 BFAC C[C@H](N)Cc1ccccc1C(F)(F)F 6021066 MBSQCJRYAIIWCP-ZETCQYMHSA-N 203.207 2.595 0 30 BFAC Cc1nc2c(O)c(Br)c(C)cc2o1 2265356025 LQTJJHXYZWNQQV-UHFFFAOYSA-N 242.072 2.913 0 30 BFAC Nc1ccc2c(c1)CN(c1ccccc1)C2 11731047 BJTCEQMNWZXCGG-UHFFFAOYSA-N 210.280 2.789 0 30 BFAC O=C(O)CCc1cccc(C(F)F)c1 124778337 GFDLQNRRJJKOEF-UHFFFAOYSA-N 200.184 2.641 0 30 BFAC FC(F)(F)Oc1ccc([C@@H]2NC[C@@H]3C[C@@H]32)cc1 2265385781 UDTGSWCIITZNSE-LSJOCFKGSA-N 243.228 2.866 0 30 BFAC Cc1ccc(CSC2=N[C@H](C)CN2)cc1 144278 PDHFOONKCUKUIO-SNVBAGLBSA-N 220.341 2.576 0 30 BFAC CCC(=O)O[C@]1(c2ccccc2)CCN(C)[C@@H]1C 4626682 LUKSBMJXPCFBKO-IUODEOHRSA-N 247.338 2.559 0 30 BFAC in-man CCCCCC(=O)Nc1ccc(Cl)nn1 21300500 LPWVJLXWPDWEBU-UHFFFAOYSA-N 227.695 2.649 0 30 BFAC N[C@H]1CCCc2c1cnn2-c1ccc(Cl)cc1 72415637 CNEGUVQFEMONRB-LBPRGKRZSA-N 247.729 2.862 0 30 BFAC CC(C)(C)c1ccc(NC(=O)/C=C/C(=O)O)cc1 118228 KLLUTQBIYDOURL-CMDGGOBGSA-N 247.294 2.563 0 30 BFAC CC(=O)c1cnc(Cl)c(C(F)(F)F)c1 95763836 XBLKIKPWBCEGEA-UHFFFAOYSA-N 223.581 2.956 0 30 BFAC c1ccc(C[C@@H]2C[C@@H]3CC[C@H](C2)N3)cc1 308684865 XEAIOOIYKSSSPU-BTTYYORXSA-N 201.313 2.760 0 30 BFAC COc1cc(CO)cc(OCc2ccccc2)c1 85344474 KCELXZXGFAISKF-UHFFFAOYSA-N 244.290 2.767 0 30 BFAC NNc1ccc(SC(F)(F)F)c(F)c1 307057723 ZVOKHHKEWHZZTI-UHFFFAOYSA-N 226.198 2.723 0 30 BFAC CC(C)=CCOC(=O)c1ccccc1O 1843548 MCAYDAOGSVHGEE-UHFFFAOYSA-N 206.241 2.515 0 30 BFAC CC1(C)CC[C@]2(C[C@H]2CN)c2ccccc21 54588111 GHRYAWYYEOTUMH-XHDPSFHLSA-N 215.340 2.974 0 30 BFAC in-vitro C[C@H]1NCCc2c(Br)cccc21 70821249 VPKHWEFDYAMWOS-SSDOTTSWSA-N 226.117 2.656 0 30 BFAC in-vitro C[C@]1(OC=O)CCC[C@H]2[C@H]3C=C[C@@H](C3)[C@@H]21 111890317 QNQHYBLGQZYPSY-VLJOUNFMSA-N 206.285 2.540 0 30 BFAC CCOc1cc(COC(C)C)ccc1O 59376708 YZRQXLRQRMJMCX-UHFFFAOYSA-N 210.273 2.716 0 30 BFAC CCC1(OC(=O)CC(C)=O)CCCCC1 96332261 AOJQJEGJPJOEOG-UHFFFAOYSA-N 212.289 2.622 0 30 BFAC C[C@]1(CN)CCN(c2ccc(Cl)cc2)C1 309043808 LRSDICWFUKDASJ-GFCCVEGCSA-N 224.735 2.515 0 30 BFAC COC(=O)C1(CCOCc2ccccc2)CC1 352064810 CUJYZJOWBZMIHQ-UHFFFAOYSA-N 234.295 2.547 0 30 BFAC CC(=O)[C@@H]1CCC(C)=C2CC=C(C)[C@@H]2[C@@H]1O 32197664 BJBCTBYMHHQRTO-MELADBBJSA-N 220.312 2.629 0 30 BFAC C[C@H](O)c1cc(F)cc(Br)c1 85633364 RMICUVVTYFJRJY-YFKPBYRVSA-N 219.053 2.642 0 30 BFAC Cc1cc2c(c(C)c1Br)COC2=O 96988553 OFPQRIYJGSURJL-UHFFFAOYSA-N 241.084 2.736 0 30 BFAC Oc1ccc2ccc(OC(F)F)cc2n1 238670680 CVDATMHMWLFZLW-UHFFFAOYSA-N 211.167 2.542 0 30 BFAC CCC1(CC)C[C@@H](O)CN1C(=O)OC(C)(C)C 2265384548 RBMKADNMROONIX-SNVBAGLBSA-N 243.347 2.547 0 30 BFAC CC/C=C\CCOCC(OCC)OCC 33955181 SXFMZKKBIUYSHF-FPLPWBNLSA-N 216.321 2.758 0 30 BFAC CC(C)(C)OC(=O)NC[C@H]1CCCCCC1=O 88611450 JKPXTNAZYQNFSE-SNVBAGLBSA-N 241.331 2.661 0 30 BFAC in-vitro COc1cc([C@@H]2CCNC2)ccc1C(F)(F)F 217501630 XLLHJNAWJSSZPO-SECBINFHSA-N 245.244 2.791 0 30 BFAC Fc1cn2ncc(Br)c2cc1Cl 238547727 AUTCJJQWONMNAL-UHFFFAOYSA-N 249.470 2.889 0 30 BFAC N[C@@H](c1cccc(F)c1F)C(F)(F)F 72194732 AHYCQEHQDOPPIQ-ZETCQYMHSA-N 211.133 2.527 0 30 BFAC in-vitro NC(=S)C1(c2ccccc2)CCCC1 62782389 ZJLSUXYHTBCOKG-UHFFFAOYSA-N 205.326 2.785 0 30 BFAC COc1ccc(C(=O)c2ccc(C)o2)cc1OC 4291247 QNZRLLCSEIUYQA-UHFFFAOYSA-N 246.262 2.836 0 30 BFAC Cc1ccc(Br)cc1CCC(=O)O 83256210 RTMPEDTZHVKCHJ-UHFFFAOYSA-N 243.100 2.775 0 30 BFAC CC(C)(C(=O)O)c1sccc1Cl 229291167 NZVOVIPLRWRWAC-UHFFFAOYSA-N 204.678 2.764 0 30 BFAC CC[C@](O)(c1ccccc1)c1ccccc1N 137323 GVJJQNPMSTWQJJ-HNNXBMFYSA-N 227.307 2.915 0 30 BFAC Cc1ccc([C@@H]2NCCc3cc(O)ccc32)cc1 3731801 HUTZRNKOIMICSG-INIZCTEOSA-N 239.318 2.936 0 30 BFAC biogenic C[C@@H]1CC(C)(C)N(CCO)c2ccccc21 5141593 UTQYEARNAQZWGU-LLVKDONJSA-N 219.328 2.771 0 30 BFAC O=C(O)CCCCCCC1=CCCC1=O 5188130 LBOKTHVXIPFAJO-UHFFFAOYSA-N 210.273 2.701 0 30 BFAC N[C@H](CCc1ccccc1)c1ccccn1 37466344 BCHASSFGUOWSOU-CYBMUJFWSA-N 212.296 2.714 0 30 BFAC OCCCCc1nc2ccccc2s1 45237547 ZHJDQVQHQAUUKJ-UHFFFAOYSA-N 207.298 2.611 0 30 BFAC Cc1cccc2sc(NC(=O)CF)nc12 45237773 ZNQQEPWDYHAWLS-UHFFFAOYSA-N 224.260 2.513 0 30 BFAC O[C@H]1CCC[C@H](n2ncc3ccccc32)C1 86603044 QFUAWLFBGRZCGR-RYUDHWBXSA-N 216.284 2.512 0 30 BFAC Clc1cnc2nc(Cl)sc2c1 89229331 NSOMSBHAMKHHNR-UHFFFAOYSA-N 205.069 2.998 0 30 BFAC S=C1N=CCN1c1cccc(Cl)c1 103581360 ZWIAWZBWVBTRSS-UHFFFAOYSA-N 210.689 2.516 0 30 BFAC Fc1ccc(C2CCNCC2)c(Cl)c1 38539340 XPOZNAZIOLWYPK-UHFFFAOYSA-N 213.683 2.946 0 30 BFAC O=C1CCN(c2ccccc2C(F)(F)F)CC1 19518382 PDLPWRJQBMLHBW-UHFFFAOYSA-N 243.228 2.875 0 30 BFAC CCC[C@@H]1CC[C@H](OC(C)=O)[C@@H](OC)C1 31352165 DCHIIKAIQRAGHB-WOPDTQHZSA-N 214.305 2.533 0 30 BFAC C=CC(=O)Nc1ccc(O)c2ccccc12 33607513 CMEKWPYUZRCMRD-UHFFFAOYSA-N 213.236 2.670 0 30 BFAC N[C@H]1CCOc2cc(Cl)cc(Cl)c21 36813911 KEBQWSWXMRGLTI-ZETCQYMHSA-N 218.083 2.776 0 30 BFAC Sc1nc(-c2cc3ccccc3o2)no1 62798150 VUNUDJVWRMJHGP-UHFFFAOYSA-N 218.237 2.772 0 30 BFAC in-vitro O=C(N[C@H]1C[C@@H]2C[C@@H]2C1)OCc1ccccc1 306876975 CFSPOCXAMJXHOQ-CLLJXQQHSA-N 231.295 2.711 0 30 BFAC O=C(O)C1CC2(C1)CC1(CC(F)(F)C1)C2 606302061 ZBAZLXIDEDSHIN-UHFFFAOYSA-N 216.227 2.677 0 30 BFAC CC(C)(C)OC(=O)NC(=O)C1CCCCC1 2579306 PKYBZCYSMCORPS-UHFFFAOYSA-N 227.304 2.618 0 30 BFAC O[C@@]1(C2SCCCS2)C=CCCC1 34597541 BXAYQNWOCOYACP-JTQLQIEISA-N 216.371 2.654 0 30 BFAC Cc1cccc(C)c1NC(=O)CCN1CCCC1 73701 MSHYJHOXRXKHDJ-UHFFFAOYSA-N 246.354 2.728 0 30 BFAC CNC(=O)[C@@]1(C(C)C)CCCCC[C@H]1C 6030845 GAARKGMVKQICJE-DGCLKSJQSA-N 211.349 2.975 0 30 BFAC CN1CCC[C@H]1c1cncc(Br)c1 13444077 VKHLFAFBADEABG-JTQLQIEISA-N 241.132 2.611 0 30 BFAC COCCc1ccc(Br)s1 98188868 CUAWUGTZOFTTOE-UHFFFAOYSA-N 221.119 2.700 0 30 BFAC O=C1[C@@H]2CC=C[C@@H]2[C@H]1Sc1ccccc1 299803240 CRPULFVUVYYWLO-NTZNESFSSA-N 216.305 2.922 0 30 BFAC COc1ccc(C)cc1[C@@H]1C[C@@H](C)CN1 3704406 MLANWAJDICEXRD-PWSUYJOCSA-N 205.301 2.674 0 30 BFAC CCc1nn(CC)c(C)c1-c1ccncc1 39101849 XEGIFTYMFUXACY-UHFFFAOYSA-N 215.300 2.836 0 30 BFAC CCOC(=O)c1ccc(-c2cccnc2)cc1 44138131 CXEQLERNQWCKLU-UHFFFAOYSA-N 227.263 2.925 0 30 BFAC N[C@H](c1cccc(Cl)c1)c1ccccn1 44568722 AHGHYTLHTMRGLP-GFCCVEGCSA-N 218.687 2.783 0 30 BFAC in-vitro Brc1ccccc1C[C@H]1CCCN1 69841609 AZQJWMRIFFFWIU-SNVBAGLBSA-N 240.144 2.744 0 30 BFAC C[C@H](O)c1ccc(F)cc1C(F)(F)F 95637130 OVYSJPULJHZNRI-YFKPBYRVSA-N 208.154 2.898 0 30 BFAC CN(C)[C@H]1CCc2[nH]c3ccccc3c2C1 192 WZXJEMXDECWINY-JTQLQIEISA-N 214.312 2.587 0 30 BFAC in-man C[C@H]1CC(C)(C)N(CCO)c2ccccc21 5141773 UTQYEARNAQZWGU-NSHDSACASA-N 219.328 2.771 0 30 BFAC FC(F)(F)c1ccc2[nH]c3c(c2c1)CNCC3 20493922 JJPUCEQWDVENCE-UHFFFAOYSA-N 240.228 2.832 0 30 BFAC O=C(Nc1cccnc1)c1c[nH]c2ccccc12 35134721 QFXNHHVIBNIDBM-UHFFFAOYSA-N 237.262 2.815 0 30 BFAC CC(C)c1ccc(O)c(-c2cc[nH]n2)c1 2574007 JXIUNXJQIOGCAV-UHFFFAOYSA-N 202.257 2.906 0 30 BFAC Nc1ccc(C(=O)OCCc2ccccc2)cc1 5331645 XTWHRLFPPFKGJK-UHFFFAOYSA-N 241.290 2.668 0 30 BFAC COC(=O)c1cc(F)c(C(C)C)cc1F 2265384654 FWZYRCQZARNYMG-UHFFFAOYSA-N 214.211 2.875 0 30 BFAC CCc1cccc2c(OC)cc(OC)nc12 39102011 CBDGUFMRWLYZOI-UHFFFAOYSA-N 217.268 2.814 0 30 BFAC CCN(CC)c1ccc(C=O)c(Cl)c1 39254684 ZRLHYQGABBIOME-UHFFFAOYSA-N 211.692 2.999 0 30 BFAC OC1(c2c(Cl)cccc2Cl)CC1 54346701 IWYYBUFJDSTZOZ-UHFFFAOYSA-N 203.068 2.975 0 30 BFAC in-vitro Cc1cc(F)ccc1NC1=NCCS1 1045614 FUWXIXFHPRDTSQ-UHFFFAOYSA-N 210.277 2.649 0 30 BFAC Cn1cnc(C(=O)CC2CCCCC2)c1 32150458 JRJZQZCEHJALCO-UHFFFAOYSA-N 206.289 2.573 0 30 BFAC CCOC(=O)c1cc(F)c(F)c(OCC)c1F 138652513 PSQUALRSPKPAOM-UHFFFAOYSA-N 248.200 2.679 0 30 BFAC CC(C)(C)OC(=O)[C@@H]1C[C@@H](N)c2ccccc21 334163822 JNARGVBQPSLVNS-VXGBXAGGSA-N 233.311 2.515 0 30 BFAC Br/C=C/c1ccc2c(c1)OCO2 21997418 SVXOJPBBVAQCRW-ONEGZZNKSA-N 227.057 2.781 0 30 BFAC CCCCCCC(C)(C)C1=NCCN1CCO 38645369 RGSKVIGUZKNKTI-UHFFFAOYSA-N 240.391 2.689 0 30 BFAC C[C@@H](CO)c1ccc(C(F)(F)F)cc1 84192463 YUKZRHMXMUYQRC-ZETCQYMHSA-N 204.191 2.801 0 30 BFAC in-vitro CC(C)c1ccc2oc(C(=O)O)cc(=O)c2c1 201129173 OBSZIVLSVUSYTF-UHFFFAOYSA-N 232.235 2.615 0 30 BFAC CN(Cc1ccccc1)C[C@H]1C[C@@]2(O)CC[C@H]1C2 267330457 XVYHVKQLUCUKKQ-ARFHVFGLSA-N 245.366 2.670 0 30 BFAC C[C@@H]1Sc2ccccc2NC(=O)[C@@H]1C 84986 GTUFEXDPRZPSSZ-SFYZADRCSA-N 207.298 2.755 0 30 BFAC Cc1[nH]cnc1-c1nc2ccccc2s1 34586209 BIZLWQWPCFQALU-UHFFFAOYSA-N 215.281 2.995 0 30 BFAC N[C@@H](CCc1ccccc1)c1ccccn1 37466342 BCHASSFGUOWSOU-ZDUSSCGKSA-N 212.296 2.714 0 30 BFAC COC(=O)c1cc(C(F)(F)F)ccc1S 34155387 RCNRETLSISYYAE-UHFFFAOYSA-N 236.214 2.781 0 30 BFAC COc1cc(C(=O)c2ccc(C)cc2)ccc1O 38237511 QRHQYMIZAGQGDF-UHFFFAOYSA-N 242.274 2.940 0 30 BFAC Cc1ccc(Br)cc1[C@H](C)C(=O)O 83256058 XQPXUDKIHDOFIW-ZETCQYMHSA-N 243.100 2.946 0 30 BFAC Fc1cc(Cl)cc(Br)n1 95768749 SLBYCSDKYZEIMO-UHFFFAOYSA-N 210.433 2.637 0 30 BFAC CCCCC[C@H](OC(C)=O)[C@@H](C)COC(C)=O 5820885 TVGYJOZXWMFEJX-GWCFXTLKSA-N 244.331 2.698 0 30 BFAC Nc1cc(-c2nc3ccccc3[nH]2)ccc1F 37599375 KIUORSRTGYXUJW-UHFFFAOYSA-N 227.242 2.951 0 30 BFAC in-vitro C[C@@H](O)c1cc(Cl)ccc1OC(F)F 50211107 COYIWNMSVIWRGS-RXMQYKEDSA-N 222.618 2.995 0 30 BFAC in-vitro COC(=O)c1scc(C)c1Br 1026968 RPJLIEYYEYUZSL-UHFFFAOYSA-N 235.102 2.606 0 30 BFAC CC[C@H](CN)n1cnc2cc(C)c(C)cc21 43540934 VYTKFOWYAXCVOL-LLVKDONJSA-N 217.316 2.563 0 30 BFAC CC(C)Oc1ccc2c(c1)CCC[C@H]2N 44745000 KRJHGUYDAVWWTK-CYBMUJFWSA-N 205.301 2.810 0 30 BFAC Fc1cc(Br)ccc1[C@H]1CCN1 84179021 HUVCZCCYFYIYPL-SECBINFHSA-N 230.080 2.623 0 30 BFAC CN1CCC(c2ccccc2CC(C)(C)N)CC1 258456042 ZGULLSISSZOMFT-UHFFFAOYSA-N 246.398 2.776 0 30 BFAC CNCc1cccc(-c2nccs2)c1 12370217 MNTPWZTYKCKBQX-UHFFFAOYSA-N 204.298 2.530 0 30 BFAC in-vitro CNC(=N)COc1cc(C)ccc1C(C)C 39110222 RLVFYIRMPKWOMH-UHFFFAOYSA-N 220.316 2.694 0 30 BFAC COC(=O)Cc1ccccc1COC(C)(C)C 123271343 NUCHOORTJMTHOH-UHFFFAOYSA-N 236.311 2.717 0 30 BFAC CC(C)(Cc1cc2ccccc2[nH]1)C(=O)O 147721208 VMTQFWYGFLPZLU-UHFFFAOYSA-N 217.268 2.821 0 30 BFAC CCc1ccc(N(C(N)=O)C(C)C)cc1 33648950 KPNFVWKCZHSNMA-UHFFFAOYSA-N 206.289 2.543 0 30 BFAC Cc1ccc(C(=O)[C@@H]2CCC[C@@H]2C(=O)O)c(C)c1 91676024 CRUKTNRPTRXQRA-OLZOCXBDSA-N 246.306 2.987 0 30 BFAC O=C(O)c1cccc(C(F)F)c1Cl 214768349 IJEXYXUTJPSTDZ-UHFFFAOYSA-N 206.575 2.976 0 30 BFAC CN1c2ccccc2C(=O)N[C@H]1[C@H]1CC=CCC1 1033201 KYUVQEQHOIPTET-SMDDNHRTSA-N 242.322 2.549 0 30 BFAC CC(=O)N(C)c1nc2ccc(C)cc2s1 45236842 WUHXKVSTZCGNPM-UHFFFAOYSA-N 220.297 2.587 0 30 BFAC Oc1cc(-c2ccccc2)nc(Cl)n1 108351238 KZICQWCTHPUYDT-UHFFFAOYSA-N 206.632 2.503 0 30 BFAC Clc1ccn2nccc2c1Br 238553679 AFVHDTCVCBRYSP-UHFFFAOYSA-N 231.480 2.750 0 30 BFAC O=C(O)C1(CN2CCCCCC2)CCCC1 49820196 SCFDXNHTQVOAAQ-UHFFFAOYSA-N 225.332 2.507 0 30 BFAC FC(F)(F)Cc1cccc(Br)n1 95774365 GSQYWOFCIOPENX-UHFFFAOYSA-N 240.022 2.949 0 30 BFAC Oc1ccc(C2(C(F)(F)F)CC2)cc1 2265378626 OVEQMKGFDCLWCQ-UHFFFAOYSA-N 202.175 2.986 0 30 BFAC CC(C)(C)Oc1c(F)cc(N)cc1F 38040350 BZMSLVLTMSIYMP-UHFFFAOYSA-N 201.216 2.724 0 30 BFAC in-vitro c1ccc(Nc2ncnc3cc[nH]c23)cc1 38174805 YTMQMLSWUCSZHX-UHFFFAOYSA-N 210.240 2.702 0 30 BFAC C[C@H]1NCCc2cccc(Br)c21 83692583 SHWORAACFRCOEV-SSDOTTSWSA-N 226.117 2.656 0 30 BFAC CC(C)(C)OC(=O)Nc1cccc(C2(N)CC2)c1 217924785 ZZSLXHIDTPPIFO-UHFFFAOYSA-N 248.326 2.981 0 30 BFAC CCC(=O)Oc1ccccc1Br 1597178 CQOJLROYGSGCQQ-UHFFFAOYSA-N 229.073 2.765 0 30 BFAC COc1cccc2c1CC[C@H](N(C)C)[C@@H]2C 34143596 ZCNTYKAJYPYMNL-MFKMUULPSA-N 219.328 2.675 0 30 BFAC CNCc1cc(F)cc(C(F)(F)F)c1 59782198 BSHXOUCKAXRBEP-UHFFFAOYSA-N 207.170 2.564 0 30 BFAC COc1ccc([C@@H]2CCNC2(C)C)cc1F 83446040 ADFBBMMNMXHTGG-JTQLQIEISA-N 223.291 2.690 0 30 BFAC N[C@@H]1CC2(CCC2)Oc2ccc(F)cc21 95616532 IIJSMMZDAYZHBP-SNVBAGLBSA-N 207.248 2.531 0 30 BFAC CC[C@H](C)[C@H](CCCCCC(=O)O)C(=O)O 143022905 LOGXGMZHHKPLEQ-UWVGGRQHSA-N 230.304 2.768 0 30 BFAC in-vitro CC(C)(C)c1cncc(Br)n1 44120410 DFZHRKNQRIZZSR-UHFFFAOYSA-N 215.094 2.537 0 30 BFAC COc1cccc([C@](C)(O)c2ccccc2)c1 21301076 WRJXFQWMVZOMDQ-OAHLLOKOSA-N 228.291 2.951 0 30 BFAC C[C@H](O)c1cc(F)ccc1Br 95637124 IBHYZKHFROARHA-YFKPBYRVSA-N 219.053 2.642 0 30 BFAC CCCCC[C@@H](C[C@H](OC)OCC)OC 1633945 RRIRPAZDEZXYKM-NWDGAFQWSA-N 218.337 2.981 0 30 BFAC CCO[C@H]1C=CC=CN1c1ccccc1 39099021 KEOHRLBRIQOTPL-ZDUSSCGKSA-N 201.269 2.939 0 30 BFAC c1ccc2c(Cc3c[nH]cn3)ccnc2c1 39134200 LJNABVNRZPCNJH-UHFFFAOYSA-N 209.252 2.549 0 30 BFAC C[C@H](O)c1cc(Cl)ccc1OC(F)F 50211106 COYIWNMSVIWRGS-YFKPBYRVSA-N 222.618 2.995 0 30 BFAC in-vitro O=C(Cc1ccncc1)c1ccc2c(c1)COC2 88517994 JFYNLKBXWYLYOJ-UHFFFAOYSA-N 239.274 2.537 0 30 BFAC CC(=O)Nc1cccc2ccc(OC(C)=O)cc12 95752008 ZJRDCIAHXPSCHO-UHFFFAOYSA-N 243.262 2.724 0 30 BFAC CC[C@@H](C)Oc1ncc(F)c(O[C@H](C)CC)n1 40443061 NDYGUHTXPWPXGR-RKDXNWHRSA-N 242.294 2.970 0 30 BFAC CCCCN(N)c1nc2ccccc2s1 96341754 POZSGECDPTVZPG-UHFFFAOYSA-N 221.329 2.777 0 30 BFAC C[C@H](C(=O)O)c1nc(C2CCCC2)cs1 259395692 WQXQDPPWGNLRNP-ZETCQYMHSA-N 225.313 2.989 0 30 BFAC CN=[S@](C)(=O)c1cccc(Br)c1 521399479 QYVNWRLHIDBGAO-GFCCVEGCSA-N 248.145 2.536 0 30 BFAC CC(C)C[C@@H](C(=O)N1CCCC1)n1cccc1 888104768 LYTYYZNYCFVXBQ-ZDUSSCGKSA-N 234.343 2.698 0 30 BFAC Cc1c(C(F)(F)F)c[nH]c(=N)c1C(F)(F)F 2265385538 IEFUQNRJHOAJMO-UHFFFAOYSA-N 244.138 2.840 0 30 BFAC CC(=O)Nc1c(C)c(C)c(C)c(C)c1NC(C)=O 110331 LCUPNXUCSZSLNV-UHFFFAOYSA-N 248.326 2.837 0 30 BFAC OCCN(c1ccccc1)C1CCCCC1 1759902 JAKIBWZPJXEMRZ-UHFFFAOYSA-N 219.328 2.818 0 30 BFAC O=Cc1csc(-c2c(F)cccc2F)n1 37974026 BXCDORWGKRDBAP-UHFFFAOYSA-N 225.219 2.901 0 30 BFAC CCN1CCc2cc(Br)ccc21 201169949 ATBOIVVGHOULCR-UHFFFAOYSA-N 226.117 2.832 0 30 BFAC CC[C@@](O)(c1ccccc1)c1ccccc1N 137321 GVJJQNPMSTWQJJ-OAHLLOKOSA-N 227.307 2.915 0 30 BFAC CCCN[C@H]1CCc2ccc(OC)cc2C1 13759801 RMRODALMKPMZFW-ZDUSSCGKSA-N 219.328 2.552 0 30 BFAC CCn1nc(CSC)c2c1NCCCC2 3697876 QQEWYFAVCKFDSN-UHFFFAOYSA-N 225.361 2.514 0 30 BFAC CC1(Cc2ccc(Br)cc2)CNC1 49830020 SOMUPHVFELPMLX-UHFFFAOYSA-N 240.144 2.601 0 30 BFAC O=C(O)[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 70673540 RAZBFGMKFVRPJN-XCBNKYQSSA-N 244.649 2.641 0 30 BFAC CC(=O)c1cccc(C(=O)C(F)(F)F)c1 100197754 DNFHMFVTDVWIGG-UHFFFAOYSA-N 216.158 2.634 0 30 BFAC Cc1ccc(SC(=O)c2ccno2)cc1 122114 SPXHKMNZIRULBG-UHFFFAOYSA-N 219.265 2.916 0 30 BFAC COC(=O)[C@H]1CC[C@H](c2ccccc2)C1 21991060 JRRNVFZDCOUHFB-RYUDHWBXSA-N 204.269 2.743 0 30 BFAC CN(Cc1cccc2ccccc12)N=O 34501867 BQXBCROAMKLKCO-UHFFFAOYSA-N 200.241 2.953 0 30 BFAC Cc1cn2cc(Br)cc(C)c2n1 36244275 XXIFFUAPZHTUJK-UHFFFAOYSA-N 225.089 2.714 0 30 BFAC in-vitro CCOC(=O)C[C@@H](C)N[C@@H](C)c1ccccc1 43617164 XKHBBOVJRPEKHW-NEPJUHHUSA-N 235.327 2.679 0 30 BFAC O=Cc1cc(Cl)sc1Br 44137716 MZQPJXYLOGFQIZ-UHFFFAOYSA-N 225.494 2.977 0 30 BFAC C[C@@H]1CNc2cc(C(F)(F)F)ccc2O1 62526475 TWFYPTBFWDSAGZ-ZCFIWIBFSA-N 217.190 2.898 0 30 BFAC Brc1ccccc1C1COC1 238070394 YGAGELLVGDOZDY-UHFFFAOYSA-N 213.074 2.563 0 30 BFAC NNc1nc(-c2ccccc2Cl)cs1 4294051 SRABRRCKNYGQTH-UHFFFAOYSA-N 225.704 2.749 0 30 BFAC Nc1ccc(Sc2ccccc2)cn1 19869329 CCZKQXORAMBPSJ-UHFFFAOYSA-N 202.282 2.815 0 30 BFAC O[C@@H](c1ccc(Br)s1)C1CC1 36162812 FXTHTTKHIZMUPC-MRVPVSSYSA-N 233.130 2.954 0 30 BFAC in-vitro O=C(O)[C@H]1CC12C1CC3CC(C1)CC2C3 38762225 WVNJLPDZLBHERL-JQUFPMINSA-N 206.285 2.533 0 30 BFAC CCc1ccc([C@@H](O)[C@@H](C)NC(C)C)cc1 39102255 KLRBBLOVNQGRJO-RISCZKNCSA-N 221.344 2.669 0 30 BFAC O=C(Oc1ccc(Cl)cc1)C(F)(F)F 136720195 WKEZNQRZCGFQIE-UHFFFAOYSA-N 224.565 2.808 0 30 BFAC OCCO[C@@H]1CCCC[C@H]1c1ccccc1 1599121 QZOQCWFGFMUAMB-UONOGXRCSA-N 220.312 2.722 0 30 BFAC biogenic,in-vitro CNCc1cccc(COc2ccccc2)c1 12370751 SJJAAVHTAVKEJT-UHFFFAOYSA-N 227.307 2.985 0 30 BFAC in-vitro Cc1ccc(Br)c2c1[C@@H](N)CC2 238532750 DCNGCEYJTBUHJS-VIFPVBQESA-N 226.117 2.704 0 30 BFAC COC(=O)Cc1cccc2c(F)cccc12 261173748 BEPVHJGPSFCLMW-UHFFFAOYSA-N 218.227 2.694 0 30 BFAC in-vitro O=C(O)[C@@H]1CCCC2(CCC(F)(F)CC2)O1 688284419 QSSBMTNPFGUXKM-QMMMGPOBSA-N 234.242 2.588 0 30 BFAC CC(C)(C)c1ccc(Br)nn1 44118088 CACQLVJWSNFUGH-UHFFFAOYSA-N 215.094 2.537 0 30 BFAC Fc1ncccc1OCc1ccccc1 87185471 GZPOVSFQACAIFD-UHFFFAOYSA-N 203.216 2.800 0 30 BFAC in-vitro CCCCCCCC[C@@]1(C)O[C@@H]1C(=O)O 100299089 GLHDTOZHBNFVQW-ZYHUDNBSSA-N 214.305 2.979 0 30 BFAC N[C@@H]1CSc2cc(Br)ccc21 203933226 OEZKYWIBNFCNNQ-SSDOTTSWSA-N 230.130 2.555 0 30 BFAC COC1(C(=O)O)CCC(C(C)(C)C)CC1 41922857 HISCQQWOVFFLOZ-UHFFFAOYSA-N 214.305 2.693 0 30 BFAC COC(=O)c1nc(Cl)c(C(F)F)s1 669369490 WSDRNONZFYHKTG-UHFFFAOYSA-N 227.619 2.521 0 30 BFAC CC(C)[C@@H]1NC[C@@]12CCCN2Cc1ccccc1 958642875 LQQXIWLPMIOGNZ-HOTGVXAUSA-N 244.382 2.649 0 30 BFAC CCC[C@@H]1CC[C@@H](OC(C)=O)[C@H](OC)C1 5839702 DCHIIKAIQRAGHB-IJLUTSLNSA-N 214.305 2.533 0 30 BFAC C[C@@H](O)c1sccc1Br 37180267 RHQVYCULRKDZLB-SCSAIBSYSA-N 207.092 2.564 0 30 BFAC O=S(=O)(O)c1cc2cc3ccccc3cc2[nH]1 3129401 SQVBYTOZJHCHRJ-UHFFFAOYSA-N 247.275 2.568 0 30 BFAC CC[C@H]1CSc2nc3ccsc3c(=O)n21 4324172 YIBHXNKOPNOJLD-LURJTMIESA-N 238.337 2.515 0 30 BFAC COC(=O)[C@H](C)CCCc1ccccc1 21996005 BTPJDSBFSJSKNM-LLVKDONJSA-N 206.285 2.818 0 30 BFAC CCCC[C@@H]1C(=O)[C@@H](C)C[C@H]1CC(=O)OC 38636346 MSBRSFQZKZOPDR-DCAQKATOSA-N 226.316 2.581 0 30 BFAC CCC(=O)O[C@@H]1C[C@H]2C[C@H]1[C@@H]1C=CC[C@@H]12 212560153 ZPFJBPIFMMENKC-PZWNZHSQSA-N 206.285 2.540 0 30 BFAC C[C@@H]1C[C@@H](C)CN(C(=O)C2CCCC2)C1 5528294 HLQTYIFQYLZFEB-GHMZBOCLSA-N 209.333 2.681 0 30 BFAC Cn1c2c(c3ccccc31)CCC[C@@H]2N 39104901 IRXSWXIVJKTFTK-NSHDSACASA-N 200.285 2.514 0 30 BFAC Clc1ncc(C(Cl)(Cl)Cl)cn1 39121227 UEDYOCNOCVTARM-UHFFFAOYSA-N 231.897 2.957 0 30 BFAC OCCCc1c(Cl)cccc1Cl 60701412 RFSGMWVMSXVTRO-UHFFFAOYSA-N 205.084 2.918 0 30 BFAC C[C@H](O)CCN[C@@H](C)c1ccccc1Cl 82993124 GDXOJKNKDADUND-UWVGGRQHSA-N 227.735 2.762 0 30 BFAC Cn1c2cccc(=O)c-2cc2ccccc21 113290199 RKNQYYRGAZOQSH-UHFFFAOYSA-N 209.248 2.643 0 30 BFAC Ic1ccc2c(c1)C=CC2 136481196 NFZTUQLKJSBGFU-UHFFFAOYSA-N 242.059 2.861 0 30 BFAC Cc1cc(Cl)c(C=O)nc1Br 2265384710 NQQLLGNXPDAVFY-UHFFFAOYSA-N 234.480 2.618 0 30 BFAC CC(C)CN1CCCc2ccc(N)cc21 19779402 OMXZWYPBYGTGRO-UHFFFAOYSA-N 204.317 2.677 0 30 BFAC C[C@@H]1CC[C@H](N)[C@H](N2CCc3ccccc3C2)C1 34781418 LTPYDUURZCTDIC-UHOFOFEASA-N 244.382 2.561 0 30 BFAC CCCCCCCC[C@]1(C)O[C@H]1C(=O)O 100299087 GLHDTOZHBNFVQW-JQWIXIFHSA-N 214.305 2.979 0 30 BFAC NC12CCC(c3ccccc3)(CC1)CC2 2018539 JXMVQBDHMBOHDH-UHFFFAOYSA-N 201.313 2.990 0 30 BFAC C=C(OCCCC)C1=CC(=O)O[C@@H](C)C1 26896814 KOTRYNPQGQIDJS-VIFPVBQESA-N 210.273 2.579 0 30 BFAC COCc1cccc(SC(=O)N(C)C)c1 72266330 LYFXWDASHQVANY-UHFFFAOYSA-N 225.313 2.607 0 30 BFAC in-vitro COCCC[C@@H](CN)c1ccc(Cl)cc1 86364838 KBMZRAMRDRFCRF-NSHDSACASA-N 227.735 2.809 0 30 BFAC in-vitro COC[C@H]1CCC[C@H]1NCc1ccccc1 725712407 PICMOXCSBHTYRQ-ZIAGYGMSSA-N 219.328 2.591 0 30 BFAC biogenic COc1ccc([C@H]2CCCCCN2C(N)=O)cc1 78269026 ZMWZCYONFITNAT-CYBMUJFWSA-N 248.326 2.691 0 30 BFAC N[C@H](CC(=O)O)c1cccc(-c2ccccc2)c1 95642264 STLQUHNBILJQTH-CQSZACIVSA-N 241.290 2.828 0 30 BFAC CCOC(=O)SC(=O)OC(C)(C)C 238790250 QRMJLLQFUXHNOI-UHFFFAOYSA-N 206.263 2.811 0 30 BFAC CC[C@@H](C)N1C[C@@H](O)Cc2ccc(C)cc21 255977413 HTGTXWKSFMCXJN-YPMHNXCESA-N 219.328 2.517 0 30 BFAC c1ccc2cc([C@@]34CNC[C@@H]3C4)ccc2c1 34986939 HKHCSWPSUSWGLI-LSDHHAIUSA-N 209.292 2.701 0 30 BFAC in-vivo Cc1noc(C)c1C(=O)N(C(C)C)C(C)C 112012 PQKRUGTVOXIHMI-UHFFFAOYSA-N 224.304 2.550 0 30 BFAC N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 238855694 SRHWDXIGQIWABB-CZMCAQCFSA-N 215.218 2.910 0 30 BFAC C[C@@H](C(=O)c1ccccc1)[C@@H](O)C(C)(C)C 21996907 BATLYISGCNQVRP-GXFFZTMASA-N 220.312 2.912 0 30 BFAC Cc1ccccc1C[C@H](C(=O)O)c1ccccn1 41284901 MCNSFCBEANALPR-ZDUSSCGKSA-N 241.290 2.801 0 30 BFAC COCC[C@H](N)c1cccc(C(F)(F)F)c1 53816434 OOCWVYDNWHLHQJ-JTQLQIEISA-N 233.233 2.742 0 30 BFAC Brc1ccccc1[C@@H]1CCCNC1 82327938 RWVFSHDBSPUFIP-SECBINFHSA-N 240.144 2.916 0 30 BFAC CC(C)(CO)CCOCc1ccccc1 137066443 MZMHXARSJXRPIB-UHFFFAOYSA-N 208.301 2.612 0 30 BFAC CC[C@H](C)[C@@H](CCCCCC(=O)O)C(=O)O 143022544 LOGXGMZHHKPLEQ-VHSXEESVSA-N 230.304 2.768 0 30 BFAC in-vitro NNc1cc(Cl)cc(C(F)(F)F)c1 143099003 RLFAZIKKPCTUAR-UHFFFAOYSA-N 210.586 2.644 0 30 BFAC Fc1ccc(C2CNC2)c(C(F)(F)F)c1 238555953 QDZLUSIIQDGDSE-UHFFFAOYSA-N 219.181 2.531 0 30 BFAC c1ccc2c(c1)N[C@H]([C@H]1Nc3ccccc3O1)O2 135841 JLEHJOWNCWUHER-KBPBESRZSA-N 240.262 2.648 0 30 BFAC O[C@@H](c1ccc2c(c1)OCO2)C1CCCC1 36160164 HUEXNQXGJDCZDN-CYBMUJFWSA-N 220.268 2.639 0 30 BFAC COC(=O)Cc1c(C)[nH]c2ccc(Cl)cc12 38212996 HHLUVAJKICYMKX-UHFFFAOYSA-N 237.686 2.845 0 30 BFAC OC[C@@H](CC(F)(F)F)c1ccccc1 258078304 VFBNNGSGBPUOIS-SECBINFHSA-N 204.191 2.715 0 30 BFAC Cc1ccsc1[C@@H]1NCCc2cc(O)ccc21 3703052 GVKJZNFCIMFTCK-CYBMUJFWSA-N 245.347 2.997 0 30 BFAC CCc1nc2nc3ccccn3c2cc1C 39101544 WXZLWCXCPHJRQT-UHFFFAOYSA-N 211.268 2.753 0 30 BFAC C[C@H]1Cc2cccc(Br)c2O1 84306221 UVVJQURYOUASEV-LURJTMIESA-N 213.074 2.773 0 30 BFAC Cc1cc(Br)ccc1[C@@H](C)C(=O)O 84551531 GBGFZABEEFTHNR-SSDOTTSWSA-N 243.100 2.946 0 30 BFAC O=C(O)C(F)(F)Sc1ccc(F)cc1 88099349 SEBWNTQJUSIWBE-UHFFFAOYSA-N 222.187 2.595 0 30 BFAC CCC[C@H](O)[C@@H](CC)C[C@@H](CC)CO 33637661 QDKYZXPQXKTGRB-WOPDTQHZSA-N 202.338 2.582 0 30 BFAC CC(=O)O[C@]1(C)CCC[C@H]2[C@H]3C=C[C@@H](C3)[C@@H]21 104966763 HSLYLHLFKJXFCS-HTVCTNPSSA-N 220.312 2.930 0 30 BFAC O=CN1[C@@H]2CCCC[C@H]2[C@H]2CCCC[C@H]21 267327755 OZGORQAYQOJQGC-YVECIDJPSA-N 207.317 2.576 0 30 BFAC Cc1cccc(-c2c[nH]c3ncc(N)nc23)c1 953049309 RDOLDXXORVSOFS-UHFFFAOYSA-N 224.267 2.516 0 30 BFAC CC(C)[C@H]1NC[C@]12CCCN2Cc1ccccc1 958642876 LQQXIWLPMIOGNZ-HZPDHXFCSA-N 244.382 2.649 0 30 BFAC Oc1ccc2c(c1)CCN[C@H]2c1cccs1 3702916 RBCUOBUHBWNSCZ-CYBMUJFWSA-N 231.320 2.689 0 30 BFAC CC1(C)C(=O)CCCN1Cc1ccccc1 82161776 FCLHNLYGDMFRFN-UHFFFAOYSA-N 217.312 2.630 0 30 BFAC CCOC(=O)c1cc2c(F)ccc(C)c2[nH]1 230278844 FYDMISYFTZPLJO-UHFFFAOYSA-N 221.231 2.792 0 30 BFAC CCn1nccc1CNc1ccc(OC)cc1 2536411 UPRWVEDRXWYHLF-UHFFFAOYSA-N 231.299 2.524 0 30 BFAC C[C@H](NC(=O)C(F)(F)Cl)c1ccccc1 6260508 UQWXCWQOHMGTKS-ZETCQYMHSA-N 233.645 2.695 0 30 BFAC CC(=O)c1cnc(-c2ncccc2C)s1 54159148 KCAFZSJYHYCVJZ-UHFFFAOYSA-N 218.281 2.716 0 30 BFAC CCN[C@H](CSC)Cc1ccc(F)cc1F 54496093 JJZOAXCHRBVDRX-NSHDSACASA-N 245.338 2.848 0 30 BFAC CC(C)Oc1ccc2c(c1)[C@H](O)CCC2 54742932 HLTQZBOYDYKIRP-CYBMUJFWSA-N 206.285 2.844 0 30 BFAC CC(C)Oc1ccccc1C(F)(F)CN 257837861 MROXKNIIXYNNFE-UHFFFAOYSA-N 215.243 2.524 0 30 BFAC O=C(Nc1ccc(-c2csnn2)cc1)C1CC1 106321 GEBZKAGTZLMKSR-UHFFFAOYSA-N 245.307 2.554 0 30 BFAC CNCc1cccc(Oc2ccccn2)c1 12370417 OEPWSCXLHMBFPC-UHFFFAOYSA-N 214.268 2.593 0 30 BFAC in-vitro N=C(NC(=O)c1cccs1)c1cccs1 20230359 JZGBFNRNNMJHCY-UHFFFAOYSA-N 236.321 2.565 0 30 BFAC N[C@H](Cc1ccc(Cl)cc1)c1ccccn1 37466285 RIAGKFGQSFQJHI-GFCCVEGCSA-N 232.714 2.978 0 30 BFAC in-vitro CC[C@@H](CCCC(=O)O)C(=O)Nc1ccccc1 238790750 ZRYFUZNJVZVHPI-NSHDSACASA-N 249.310 2.906 0 30 BFAC Oc1ccc2nc(Cl)c(Cl)nc2c1 307551356 SDWKKWJTIYDOBH-UHFFFAOYSA-N 215.039 2.642 0 30 BFAC C[C@H](NCC(C)(C)C)[C@H]1COc2ccccc2O1 1843867 JPDSUSRTWKLSDJ-SMDDNHRTSA-N 249.354 2.851 0 30 BFAC CCO[C@@H]1C[C@H]2CN(C)[C@@H]1c1ccccc12 31719546 VWWXGQSDGZUHBE-ZLKJLUDKSA-N 217.312 2.566 0 30 BFAC COc1cc2oncc2cc1Br 84235801 XSEOIZWPAZXEBH-UHFFFAOYSA-N 228.045 2.599 0 30 BFAC N[C@]1(c2cccc(Br)c2)CC1(F)F 1536097719 OMMNMDWXQJXCJR-QMMMGPOBSA-N 248.070 2.642 0 30 BFAC O=C(O)c1cc2ccccc2c(Cl)c1O 6118009 FGPKSIXNTNDIJT-UHFFFAOYSA-N 222.627 2.897 0 30 BFAC O=C(NC1C[C@@H]2C[C@H]2C1)OCc1ccccc1 113655640 CFSPOCXAMJXHOQ-RYUDHWBXSA-N 231.295 2.711 0 30 BFAC O=C(O)c1ccccc1N=Cc1ccccc1O 254826869 AMNAGEKFWSNOTE-UHFFFAOYSA-N 241.246 2.841 0 30 BFAC N[C@H]1CC[C@H](c2nc3ccccc3o2)CC1 710028790 CPGQDMOBVHCUST-MGCOHNPYSA-N 216.284 2.813 0 30 BFAC CC1(C)CC[C@@]2(C[C@H]2CN)c2ccccc21 54588109 GHRYAWYYEOTUMH-NHYWBVRUSA-N 215.340 2.974 0 30 BFAC in-vitro OCCN1Cc2ccccc2[C@@H]1c1ccccc1 22010957 PNVBVIRIZTVNSG-INIZCTEOSA-N 239.318 2.584 0 30 BFAC CN[C@@H](C(=O)c1ccccc1)c1ccccc1 31982829 HHBQNUTWFDOORZ-CQSZACIVSA-N 225.291 2.830 0 30 BFAC [N-]=[N+]=NC[C@@H](CCl)C(=O)Oc1ccccc1 105428937 DRJVYWBDFUXWIZ-MRVPVSSYSA-N 239.662 2.757 0 30 BFAC N[C@H]1C[C@H](c2ccc(Br)cc2)C1 216655885 VNQNQKQBKMLKQN-WAAGHKOSSA-N 226.117 2.654 0 30 BFAC CC(=O)C1(Br)CCCCC1 39233793 RIKQCIILRLEKPX-UHFFFAOYSA-N 205.095 2.673 0 30 BFAC Cc1cccc(N[C@H]2CCO[C@H]2C)c1C 96034007 SDRZGELBCIPKMX-AAEUAGOBSA-N 205.301 2.893 0 30 BFAC in-vitro O[C@H](c1cc(Cl)cc2c1OCC2)C1CC1 123016974 MWNGELNDHLFTEK-NSHDSACASA-N 224.687 2.718 0 30 BFAC N[C@H](c1ccccc1)C(F)(F)C(F)(F)F 34417860 AGGIAQNUHJQMCT-SSDOTTSWSA-N 225.160 2.884 0 30 BFAC c1cc(N2CCCCC2)c2cc[nH]c2n1 79033849 QTWWJUWXADSYNH-UHFFFAOYSA-N 201.273 2.553 0 30 BFAC O=C1[C@@H](Sc2ccccc2)[C@H]2C=CC[C@@H]12 238597078 CRPULFVUVYYWLO-MDZLAQPJSA-N 216.305 2.922 0 30 BFAC COC(=O)Cc1ccc(CC(C)C)cc1C 2265362165 VARTWQKTSQRRTC-UHFFFAOYSA-N 220.312 2.909 0 30 BFAC NCCC[C@H](c1ccccc1)N1CCCC1 19674015 YDERKBIHOAVURS-CQSZACIVSA-N 218.344 2.562 0 30 BFAC CCCc1cc(=O)c2ccc(F)cc2[nH]1 32099914 RKZVEMLFZPWBSU-UHFFFAOYSA-N 205.232 2.620 0 30 BFAC O=C(/C=N/O)c1cccc(Cl)c1Cl 38648068 GBXUIRJSFLHCIS-NYYWCZLTSA-N 218.039 2.636 0 30 BFAC Cc1cc2c(cc1Br)CC[C@H]2N 238489568 RYTXRZLTTUAYHC-SNVBAGLBSA-N 226.117 2.704 0 30 BFAC CN(C)C(=O)Sc1cc(N)ccc1Cl 238854456 NUOHRNMZRFXIIK-UHFFFAOYSA-N 230.720 2.696 0 30 BFAC in-vitro Cn1cc([C@H]2CCCNC2)c2ccccc21 39109481 ZALNUJQHMWCRDL-NSHDSACASA-N 214.312 2.645 0 30 BFAC NC[C@H](OCC1CC1)c1ccc(Cl)cc1 42949094 VMVKQNVNUJNNGI-LBPRGKRZSA-N 225.719 2.766 0 30 BFAC in-vitro Fc1ccnc(Br)c1Cl 95768571 IMXUDOOMCCEHPI-UHFFFAOYSA-N 210.433 2.637 0 30 BFAC CO[C@@](C)(CN)C1CCC(C(C)C)CC1 1535694633 WFFQUKNPWFEAJA-BPCQOVAHSA-N 213.365 2.813 0 30 BFAC Cc1cccc(C)c1NC(=S)N1CCCC1=O 93698 QKOGTVIVWMEXMK-UHFFFAOYSA-N 248.351 2.623 0 30 BFAC O=C(O)C[C@H](c1ccc(F)c(F)c1)C1CC1 36161717 IVCQMJNKNPBJPU-VIFPVBQESA-N 226.222 2.933 0 30 BFAC c1ccc(CN2CCC(c3ncc[nH]3)CC2)cc1 141552382 APLZSGSNKGDUCH-UHFFFAOYSA-N 241.338 2.789 0 30 BFAC CC(C)Oc1ccc2c(c1)CCC[C@@H]2N 44744999 KRJHGUYDAVWWTK-ZDUSSCGKSA-N 205.301 2.810 0 30 BFAC C[C@@H]1CNc2cccc(Br)c2O1 62529577 YGRVNMAXPWMNPW-ZCFIWIBFSA-N 228.089 2.642 0 30 BFAC N[C@@H]1CCCc2c1cnn2-c1ccc(Cl)cc1 72415636 CNEGUVQFEMONRB-GFCCVEGCSA-N 247.729 2.862 0 30 BFAC CC(C)(C)OC(=O)Nc1ccc(C2CNC2)cc1 217924117 PMCNPLSFQVWUOB-UHFFFAOYSA-N 248.326 2.720 0 30 BFAC CN1OC[C@H]2COc3ccc4ccccc4c3[C@H]21 39446175 DAIVVDAWQFQQDF-ABAIWWIYSA-N 241.290 2.767 0 30 BFAC Cc1cccc2nc(C3CCNCC3)oc12 62526368 XFNWBAIKMNDOLN-UHFFFAOYSA-N 216.284 2.603 0 30 BFAC in-vitro C[C@H](N)c1ccc(C(F)(F)F)cc1F 83592857 XTBKFZDHIZYROB-YFKPBYRVSA-N 207.170 2.864 0 30 BFAC O=C1[C@@H](Sc2ccccc2)[C@@H]2C=CC[C@@H]12 238597261 CRPULFVUVYYWLO-WZRBSPASSA-N 216.305 2.922 0 30 BFAC CCc1nc(Br)cn1CC1CC1 521399135 QXYDDFWCJHSVPE-UHFFFAOYSA-N 229.121 2.618 0 30 BFAC Cc1ccc(Cc2c(C)[nH]c(=S)[nH]c2=O)cc1 12653377 JMFATOCBCIDUPU-UHFFFAOYSA-N 246.335 2.640 0 30 BFAC Cc1cccc(CC(=S)N2CCCCC2)n1 39125093 YMBDIBPIWRBGNK-UHFFFAOYSA-N 234.368 2.746 0 30 BFAC Cc1cc(Br)c(C)c(CO)c1 39149754 JFJVXKYARHQXHL-UHFFFAOYSA-N 215.090 2.558 0 30 BFAC Cc1nnc(-c2nc3ccccc3s2)o1 45237585 BLKLXEMNRRTKDN-UHFFFAOYSA-N 217.253 2.655 0 30 BFAC Cc1cc(Br)c2cccnc2n1 238529998 QCUMFPOOSCXFLZ-UHFFFAOYSA-N 223.073 2.701 0 30 BFAC FC1(c2cccc(Br)n2)CC1 307449452 QZAKXNUMIYIHER-UHFFFAOYSA-N 216.053 2.803 0 30 BFAC CN[C@H](Cc1ccc(Cl)cc1)N1CCCC1 1503954224 SJTLJLJETRWWNU-ZDUSSCGKSA-N 238.762 2.524 0 30 BFAC CCn1c(C)nc2cc(C(F)(F)F)c(N)cc21 5317346 CBCBTRZQTHHIST-UHFFFAOYSA-N 243.232 2.966 0 30 BFAC CN(C)CCOc1c(Cl)cc(N)cc1Cl 36969869 FEYOREIYECNQMC-UHFFFAOYSA-N 249.141 2.516 0 30 BFAC in-vitro O=C(CF)c1ccc(C(F)(F)F)cc1 39055421 WOXTWIBVCMHTSZ-UHFFFAOYSA-N 206.138 2.858 0 30 BFAC Cc1c(F)cccc1N[C@H]1CCO[C@@H]1C 96034085 CIMIYNZAUYZLTD-SKDRFNHKSA-N 209.264 2.723 0 30 BFAC in-vitro O[C@H]1C[C@H](c2ccc(Br)cc2)C1 100155492 DUZJORQWSPNAKY-WAAGHKOSSA-N 227.101 2.687 0 30 BFAC C[C@H](NC(=O)OC(C)(C)C)C(C)(F)F 306400042 KYMQUKBZPPPLNR-LURJTMIESA-N 209.236 2.555 0 30 BFAC Fc1ccc(CNCC2CC2)c(Cl)c1 20037515 ACHYLPLFUTWDSK-UHFFFAOYSA-N 213.683 2.979 0 30 BFAC in-vitro CC(C)(C)C(=O)Nc1cccc(F)c1C(=O)O 166437 VDDJFXUXRCXRSB-UHFFFAOYSA-N 239.246 2.509 0 30 BFAC Cc1cc(I)cs1 1704911 JGTPSADJRIJFMQ-UHFFFAOYSA-N 224.066 2.661 0 30 BFAC C=COCC(CC)(COC=C)COC=C 4975695 CZAVRNDQSIORTH-UHFFFAOYSA-N 212.289 2.863 0 30 BFAC Brc1cccc(N2CC=CC2)c1 15042261 ZYJCDQKEWQBYPM-UHFFFAOYSA-N 224.101 2.825 0 30 BFAC CC(C)C[C@@H](Cc1ccccc1)C(=O)O 34552096 OSPILOQOWQWUCH-LBPRGKRZSA-N 206.285 2.976 0 30 BFAC CC[C@@H](C)C(=O)OCc1ccc2c(c1)OCO2 38636334 BDQVWTJEMUNXSJ-SECBINFHSA-N 236.267 2.505 0 30 BFAC CCCC(=O)OCC(C)(C)[C@H](O)CCC 38642950 MILAEHMPRCLZIF-SNVBAGLBSA-N 216.321 2.517 0 30 BFAC CCN1CC[C@@H](c2cn(C)c3ccccc23)C1 39102746 VDUXMSGAIYIEQX-GFCCVEGCSA-N 228.339 2.988 0 30 BFAC COC1(C(=O)O)CCC(c2ccccc2)CC1 41922661 VTNAIQWEUOFEPY-UHFFFAOYSA-N 234.295 2.814 0 30 BFAC in-vitro Cc1ccnc2c(Br)c[nH]c12 44713009 YEUOKOWDEGDZFE-UHFFFAOYSA-N 211.062 2.634 0 30 BFAC in-vitro CC(=O)Nc1cc(C)c(Br)c(F)c1 1436717435 YINQSDZGDZQUJV-UHFFFAOYSA-N 246.079 2.855 0 30 BFAC CCOC(=O)c1ccc(-n2nc(C)cc2C)cc1 110982 BZKAPKRQMNXYNG-UHFFFAOYSA-N 244.294 2.666 0 30 BFAC Cc1ccc([S@@]2(=O)=N[C@H](C(C)C)CO2)cc1 2506812 QCNBRUOJSNBOIE-LRDDRELGSA-N 239.340 2.792 0 30 BFAC FC(F)(F)c1ccnc(NCc2ccco2)n1 4324180 LWYWHWROPISHLI-UHFFFAOYSA-N 243.188 2.701 0 30 BFAC CCC[C@](O)(CCc1ccccc1)CC(=O)O 38458081 QUCVMTKZXVHNNT-AWEZNQCLSA-N 236.311 2.625 0 30 BFAC COc1c(Br)cc(F)cc1C(C)=O 214470374 KHJZQLBRMQWDCU-UHFFFAOYSA-N 247.063 2.799 0 30 BFAC CNC(=O)Oc1cccc(C(C)(C)C)c1 2031110 FSJYRLHKLVGCNH-UHFFFAOYSA-N 207.273 2.702 0 30 BFAC CCO[P@]1(=O)COc2ccccc2O1 6439464 FVYVGKDBCDSLSD-CQSZACIVSA-N 214.157 2.645 0 30 BFAC Cc1nc(C(F)(F)F)ncc1Br 96918149 LPWIDWXNZMPLDJ-UHFFFAOYSA-N 241.010 2.566 0 30 BFAC Cc1noc(C)c1C(=O)Oc1ccc(F)cc1 111987 SOKHTAXXVSHMPT-UHFFFAOYSA-N 235.214 2.650 0 30 BFAC O=c1oc(-c2ccco2)nc2cccc(F)c12 166933 HOOHVAHOQJKLEC-UHFFFAOYSA-N 231.182 2.587 0 30 BFAC NNc1ccc(OC(F)(F)F)c(Cl)c1 143820213 RKGVAEHDXKICPX-UHFFFAOYSA-N 226.585 2.524 0 30 BFAC NCCc1cc(Cl)c(Cl)c(O)c1Cl 1384884596 UCORKGZDBKPBFF-UHFFFAOYSA-N 240.517 2.854 0 30 BFAC CSc1cccc(N2C(=O)CSC2=O)c1 1045736 TVMDHBGOAWYHGQ-UHFFFAOYSA-N 239.321 2.608 0 30 BFAC Cc1ccc2c(c1)O[C@H](C(C)C)CC2=O 32173136 RSLYWFYUMICTMC-LBPRGKRZSA-N 204.269 2.985 0 30 BFAC CC(=O)c1cc(-c2ccc(N)cc2)co1 39118764 IFVSHNBIVVSRCH-UHFFFAOYSA-N 201.225 2.731 0 30 BFAC Brc1cccc(C2CCOCC2)n1 44122010 IAAMZUWDXLBSMD-UHFFFAOYSA-N 242.116 2.738 0 30 BFAC CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)OCCO 100779841 JFKCVAZSEWPOIX-WOPDTQHZSA-N 244.331 2.593 0 30 BFAC endogenous,in-man CCNC(=O)[C@]1(C(C)C)CCCC[C@H]1C 33506979 BSMQCLSXMDMBAV-YPMHNXCESA-N 211.349 2.975 0 30 BFAC COc1ccc(C[C@@H](CC(C)C)C(=O)O)cc1 37653572 DXHXUVAKLCVUEW-GFCCVEGCSA-N 236.311 2.985 0 30 BFAC O=C(O)c1cc(C(=O)O)cc(-c2ccccc2)c1 38339861 JJUJLQXTYRRNJE-UHFFFAOYSA-N 242.230 2.750 0 30 BFAC C[C@@H](N)c1ccc(C(F)(F)F)cc1F 83592860 XTBKFZDHIZYROB-RXMQYKEDSA-N 207.170 2.864 0 30 BFAC COC(=O)c1sc(C(C)C)nc1Cl 85789146 TXRCYOWKQPQXFD-UHFFFAOYSA-N 219.693 2.707 0 30 BFAC in-vitro CN(C)C(=O)Oc1noc2ccc(Cl)cc12 75902 FRBDVDNNCKLJFZ-UHFFFAOYSA-N 240.646 2.542 0 30 BFAC C[C@H]1CN=C(N[C@@H]2CCCC[C@H]2C)S1 3885681 JAFZMDNLUBMVJS-KXUCPTDWSA-N 212.362 2.646 0 30 BFAC N[C@H](c1ccc(Br)cc1)C(F)F 20475286 UHRJUROJGQHHTE-SSDOTTSWSA-N 236.059 2.714 0 30 BFAC CCC[C@H](CCCCCCC(=O)O)C(=O)O 32219870 WIKIUKRKLSPEDN-SNVBAGLBSA-N 230.304 2.913 0 30 BFAC CN[C@H](CSC)c1ccccc1Cl 54495883 QYZWQSKIOGSHPI-SNVBAGLBSA-N 215.749 2.964 0 30 BFAC COC(=O)CC1CC(COCc2ccccc2)C1 117663118 OENWZMWVNPQOBO-UHFFFAOYSA-N 248.322 2.793 0 30 BFAC Clc1ccn2cnc(Br)c2c1 213928564 GAIJHHDZCNMCOD-UHFFFAOYSA-N 231.480 2.750 0 30 BFAC COc1c(C)cc(C)cc1[C@H]1C[C@@H](C)CN1 3705016 MGFCKZHJFCDVDB-ZWNOBZJWSA-N 219.328 2.983 0 30 BFAC OCOc1ccccc1-c1ccccc1 6116776 PRDSJPMVXYYZQU-UHFFFAOYSA-N 200.237 2.682 0 30 BFAC FC(F)(F)c1ccc(-c2nnc(S)[nH]2)cc1 15924142 MDQUKWJCBQOBEB-UHFFFAOYSA-N 245.229 2.779 0 30 BFAC CCC[C@@H](CCCCCCC(=O)O)C(=O)O 32219869 WIKIUKRKLSPEDN-JTQLQIEISA-N 230.304 2.913 0 30 BFAC CCc1c(C/C=C/CO)c2ccccc2n1C 39102891 WLCWJGAFYJXERN-VOTSOKGWSA-N 229.323 2.832 0 30 BFAC CCOc1cccc([C@@H]2CCCC2=O)c1 87334621 KOEXSSPMJMWXBZ-LBPRGKRZSA-N 204.269 2.922 0 30 BFAC Cc1ccc(C(C)C)c(OCCN(C)C)c1O 1852469 UZOMBHOFSZKLPJ-UHFFFAOYSA-N 237.343 2.764 0 30 BFAC Clc1cccnc1Nc1ccccn1 32302813 WUWSPBABZWEHQG-UHFFFAOYSA-N 205.648 2.874 0 30 BFAC CCCCN(CCO)c1cccc(C)c1 34346971 MXYGJMCJYTUAAA-UHFFFAOYSA-N 207.317 2.594 0 30 BFAC CN(C)CCCOc1nsc2ccccc12 38647018 DGIHFDIGJDJNCK-UHFFFAOYSA-N 236.340 2.627 0 30 BFAC CC(=O)[C@@H]1CCC(C)=C2CC=C(C)[C@H]2[C@H]1O 136805297 BJBCTBYMHHQRTO-MJBXVCDLSA-N 220.312 2.629 0 30 BFAC C[C@@H](N)c1cc2cc(Br)ccc2[nH]1 83132529 KLDQUFGYDBRYGS-ZCFIWIBFSA-N 239.116 2.950 0 30 BFAC COCCC[C@H](CN)c1ccc(Cl)cc1 86364840 KBMZRAMRDRFCRF-LLVKDONJSA-N 227.735 2.809 0 30 BFAC in-vitro NC(=O)c1ccc(Oc2ccc(Cl)cc2)nc1 124439 SXGZAZURNOZUJP-UHFFFAOYSA-N 248.669 2.626 0 30 BFAC O=C(Cc1ccccc1Br)C1CC1 37464242 BYVKUXNQXYWCCC-UHFFFAOYSA-N 239.112 2.971 0 30 BFAC COC(=O)c1ccc(Cc2nccs2)cc1 117793944 UMPJEMFQDVAATE-UHFFFAOYSA-N 233.292 2.521 0 30 BFAC C[C@H](O)c1ccc2c(c1)CCC(C)(C)O2 214742946 RUTIRHGKMLWGQH-VIFPVBQESA-N 206.285 2.844 0 30 BFAC biogenic O=C1CC[C@H]1c1ccc(Br)cc1 238006388 FHPRAWFRDFMTIP-VIFPVBQESA-N 225.085 2.896 0 30 BFAC O[C@@H]1CCOc2cc(Cl)c(Cl)cc21 307254906 YRGDESOCVQSAEN-MRVPVSSYSA-N 219.067 2.809 0 30 BFAC Cc1cc(Cl)ccc1OCC(=O)OC(C)C 1602250 BOEYMHRHUPNCAQ-UHFFFAOYSA-N 242.702 2.979 0 30 BFAC CCOc1cccc(C[C@@H]2CCCNC2)c1 32099133 RHQBNQFPMVFZGK-ZDUSSCGKSA-N 219.328 2.627 0 30 BFAC c1ccc(NC[C@H]2NCCc3ccccc32)cc1 43596119 APODFCDDRZHIBV-MRXNPFEDSA-N 238.334 2.986 0 30 BFAC CCOC(=O)CCc1ccc(SC)cc1 106490517 MANNMZKKXCPUKL-UHFFFAOYSA-N 224.325 2.904 0 30 BFAC Cc1snc(-c2ccccc2)c1C(=O)O 144246923 SPWQXRJUDZAQII-UHFFFAOYSA-N 219.265 2.817 0 30 BFAC CCCC(=O)O[C@@H]1C[C@H]2C[C@H]1[C@@H]1CC=C[C@@H]21 263589291 HVEOFLOFUBUHEQ-RXGFPQBGSA-N 220.312 2.930 0 30 BFAC CC[C@@H](C)COC(=O)/C=C/c1ccc(N)cc1 2563285 OUZTVIGSXSIPAZ-OALRPVAKSA-N 233.311 2.871 0 30 BFAC O=C(O)[C@H]1COc2c(Cl)cc(Cl)cc2C1 2599393 VKQVUBHOFAGVRV-ZCFIWIBFSA-N 247.077 2.629 0 30 BFAC Cc1sc(C)c(C(=O)O)c1Br 221262919 SRIDTNDGGKOVNU-UHFFFAOYSA-N 235.102 2.826 0 30 BFAC CCOc1cscc1Br 39099498 FFVWRPRFYKPFLA-UHFFFAOYSA-N 207.092 2.909 0 30 BFAC CCOc1ccccc1[C@@H]1CCCC1=O 55241004 CZSUCTGOTDQCJF-JTQLQIEISA-N 204.269 2.922 0 30 BFAC Cc1c(C(=O)O)cnc2c(Cl)cccc12 77259951 OPQBUGARAURYKY-UHFFFAOYSA-N 221.643 2.895 0 30 BFAC in-vitro Clc1cccc(Cc2ccncc2)n1 84026199 CNNMPHYONBAOSB-UHFFFAOYSA-N 204.660 2.721 0 30 BFAC C[C@@H](CCOC(=O)/C=C\C(=O)O)CC(C)(C)C 31332804 NJAFJJJFZZALPC-OMMCCPJFSA-N 242.315 2.633 0 30 BFAC COC(=O)c1oc(C)nc1-c1ccc(F)cc1 40435068 NCGCHFJZHHCASH-UHFFFAOYSA-N 235.214 2.576 0 30 BFAC COC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 108685411 SQPPVXPLDGRDTH-RQJHMYQMSA-N 210.195 2.528 0 30 BFAC OCc1ccc(OC(F)(F)C(F)(F)F)cc1 2265384645 DOGQBESXGGCKKR-UHFFFAOYSA-N 242.143 2.713 0 30 BFAC COC(=O)c1cc(SC)c(O)c(SC)c1 1565503742 IYMJSMYNLSXIOW-UHFFFAOYSA-N 244.337 2.623 0 30 BFAC Cc1ccc(C(=O)Nc2ccccc2)c(O)c1 33468010 ILTDMZSEFBIATD-UHFFFAOYSA-N 227.263 2.953 0 30 BFAC Cc1nc(O)c(C#N)c(C#N)c1-c1ccccc1 33948536 KANHPKCCFQWHBB-UHFFFAOYSA-N 235.246 2.506 0 30 BFAC CC(=O)c1ccc2sc(S)nc2c1 45235781 IBSFHEGRYPCUIA-UHFFFAOYSA-N 209.295 2.788 0 30 BFAC COC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 108685421 SQPPVXPLDGRDTH-NKWVEPMBSA-N 210.195 2.528 0 30 BFAC COc1cccc(-n2c(N)nc3ccccc32)c1 20586171 BFDOUMCQHZVFDI-UHFFFAOYSA-N 239.278 2.616 0 30 BFAC in-vitro COc1cccc(OC[C@@H](N)c2ccccc2)c1 22562576 MUUVERQZWYRXNM-OAHLLOKOSA-N 243.306 2.774 0 30 BFAC CCCC(=O)O[C@@H]1C[C@H]2C[C@H]1[C@H]1CC=C[C@@H]12 263589288 HVEOFLOFUBUHEQ-NAWOPXAZSA-N 220.312 2.930 0 30 BFAC CCc1cccc(C)c1N1C(=O)CCCC1=O 3119574 WYSMJYTXOGTNDO-UHFFFAOYSA-N 231.295 2.601 0 30 BFAC COc1ccc(C)cc1C[C@@H]1CCCNC1 11630909 YTSHBJLBSBZDJN-LBPRGKRZSA-N 219.328 2.546 0 30 BFAC CC[C@@H]1CCN[C@@H]1c1cccc(OC)c1 3733179 CHPRIVJCGPOHLG-MFKMUULPSA-N 205.301 2.756 0 30 BFAC CCOC(=O)[C@@H]1CCc2cc(Cl)ccc2O1 5856978 WZZUMAXLNPKBKD-NSHDSACASA-N 240.686 2.597 0 30 BFAC COC(=O)c1ccc2cc(S)ccc2c1 34140607 BNLGXHOJDCQIHZ-UHFFFAOYSA-N 218.277 2.915 0 30 BFAC O=C(O)c1nc(-c2ccc(Cl)cc2)ns1 75931199 GFFZCOZIARESNT-UHFFFAOYSA-N 240.671 2.557 0 30 BFAC Cc1ccc(C2(C(=O)O)CC2)cc1Cl 84477044 AZRJTOURSKZMGL-UHFFFAOYSA-N 210.660 2.765 0 30 BFAC C[C@H](N)c1ccc(Oc2cccnc2)cc1 2538760 MSFDAKMISBBZMK-JTQLQIEISA-N 214.268 2.894 0 30 BFAC in-vitro CCOc1ccc2c(c1)[C@H](N)CCS2 39099623 SKJZJEPQNZBBOX-SNVBAGLBSA-N 209.314 2.581 0 30 BFAC C[C@@H]1C[C@]2(C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)OC1=O 256421673 ICZMJALAXFOIJH-YADKISOJSA-N 220.312 2.764 0 30 BFAC O=C(c1ccccc1)[C@@H](F)C(F)(F)F 39055466 MGVPMFSYZYUVSV-MRVPVSSYSA-N 206.138 2.770 0 30 BFAC CCc1ccc([C@@H](O)[C@H](C)NC(C)C)cc1 39102257 KLRBBLOVNQGRJO-FZMZJTMJSA-N 221.344 2.669 0 30 BFAC FC(F)c1ccc(C[C@H]2CCNC2)cc1 95829378 FBQHGDMSGNUKMU-SNVBAGLBSA-N 211.255 2.776 0 30 BFAC in-vitro COc1cc2c(cc1OC)CN=NC=C2 141744486 ZWCNTMVBAMWEAW-UHFFFAOYSA-N 204.229 2.640 0 30 BFAC O=[P@@]1(CO)Oc2ccccc2-c2ccccc21 34345916 ZVNLUXZZYVQUTE-KRWDZBQOSA-N 246.202 2.599 0 30 BFAC COc1ccc(Br)cc1N(C)C 83231136 PRGSJBNFMZNFHJ-UHFFFAOYSA-N 230.105 2.524 0 30 BFAC in-vitro O=C(O)c1cc(Cl)ccc1C(F)F 107267815 CWBCRDIQYKBTEP-UHFFFAOYSA-N 206.575 2.976 0 30 BFAC COC(=O)[C@@H]1CCN([C@H](C)c2ccccc2)[C@@H]1C 346683392 QVKPXSULPYUNBF-YRGRVCCFSA-N 247.338 2.631 0 30 BFAC COc1cc(OC)c2ccnc(Cl)c2c1 36258005 YBGITNZIHLQWBX-UHFFFAOYSA-N 223.659 2.905 0 30 BFAC CC(=O)N(C)c1ccc(Cl)c(Cl)c1 60075212 RGFPPQNQHFTETE-UHFFFAOYSA-N 218.083 2.976 0 30 BFAC CCc1cccc(-c2nc(CN)cs2)c1 90415641 FUUVBSWBFQQFOW-UHFFFAOYSA-N 218.325 2.831 0 30 BFAC Cc1cccc2nc(Br)ncc12 299889539 KTXMTDHQEPLTNA-UHFFFAOYSA-N 223.073 2.701 0 30 BFAC C[C@@H](NCC(C)(C)C)[C@H]1COc2ccccc2O1 5751690 JPDSUSRTWKLSDJ-BXUZGUMPSA-N 249.354 2.851 0 30 BFAC Oc1ccc2c(c1)O[C@H](c1ccccc1)C[C@H]2O 6581940 KYPVDKAIGIDYLB-KGLIPLIRSA-N 242.274 2.949 0 30 BFAC CC(=O)CC1CCN(Cc2ccccc2)CC1 44137297 KPGKLICEYBMSSY-UHFFFAOYSA-N 231.339 2.878 0 30 BFAC CC(=O)Nc1ccc2sc(S)nc2c1 45237504 FDGUVNYAUXBWJU-UHFFFAOYSA-N 224.310 2.543 0 30 BFAC CC1(C)[C@H]2CC[C@@H](/C=C(\C#N)C(=O)O)[C@H]1C2 256083011 FVXWDDLIMBRDJT-LGKOINTHSA-N 219.284 2.593 0 30 BFAC Nc1cccc(-c2ccccc2)c1C(=O)O 95932148 LKIOVYMETOAPEN-UHFFFAOYSA-N 213.236 2.634 0 30 BFAC CC(C)(C)OC(=O)Nc1cc(F)c(N)cc1F 60280075 QLXMVJOFWFYYPN-UHFFFAOYSA-N 244.241 2.894 0 30 BFAC FC(F)(F)[C@@H]1CCc2ccccc2N1 114050775 NZPIJNJFKLMEIX-VIFPVBQESA-N 201.191 2.976 0 30 BFAC O=C(O)/C=C/c1cccn1Cc1ccccc1 14986121 FAQBKSZZQDTEOJ-CMDGGOBGSA-N 227.263 2.634 0 30 BFAC N[C@@H](c1cccc(Cl)c1)c1ccccn1 44568725 AHGHYTLHTMRGLP-LBPRGKRZSA-N 218.687 2.783 0 30 BFAC in-vitro CCCC(=O)O[C@@H](CC)[C@H](C)COC(=O)CC 38647908 FWDZBBIKQATTEH-MNOVXSKESA-N 244.331 2.698 0 30 BFAC CCCc1ccc(OC)cc1NC(C)=O 133143 JLGLTPDRXVFJEZ-UHFFFAOYSA-N 207.273 2.606 0 30 BFAC COC(=O)c1cc2c(OC)ccc(F)c2s1 90513836 RRNNSQFCBPAELL-UHFFFAOYSA-N 240.255 2.836 0 30 BFAC N[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 61703543 SKFFZVPWHBHILQ-SNVBAGLBSA-N 231.217 2.995 0 30 BFAC Clc1cccc2c1N(C1CC1)CCN2 77302398 FXZXLJSCVFWABV-UHFFFAOYSA-N 208.692 2.734 0 30 BFAC in-vitro NC(=O)c1ccc(-c2ccc(Cl)c(F)c2)[nH]1 725712308 ZSQYDIIHEZCCDZ-UHFFFAOYSA-N 238.649 2.573 0 30 BFAC CC(=O)Nc1nc2c(s1)Cc1ccccc1-2 83168 HCXBIMUGOGJPPI-UHFFFAOYSA-N 230.292 2.673 0 30 BFAC CCCCCC[C@@H](O)C(=O)OC(C)(C)C 2559014 CQNLDKZFRJWVKM-SNVBAGLBSA-N 216.321 2.659 0 30 BFAC N[C@@H](CC1CCCC1)[C@H]1COc2ccccc2O1 87858996 LMRBOUFAOSVJNQ-SWLSCSKDSA-N 247.338 2.734 0 30 BFAC in-vitro Fc1cc(-c2ncc[nH]2)ccc1Br 238539004 HJCQNBDFRMNGBQ-UHFFFAOYSA-N 241.063 2.978 0 30 BFAC in-vitro Cc1ccc(CCO)c(Br)c1C 584641183 UZGTXTIDGHNAMX-UHFFFAOYSA-N 229.117 2.601 0 30 BFAC CC(=O)C(C(C)=O)[C@H](C)c1ccccc1 22004256 GIOIDOXUOMTSDG-SECBINFHSA-N 204.269 2.584 0 30 BFAC CCOc1cccc(-c2csc(=O)[nH]2)c1 198691181 PYMFLQNQUUAGKV-UHFFFAOYSA-N 221.281 2.502 0 30 BFAC S=C(NCC1CC1)Nc1ccc2[nH]ccc2c1 81232 QUYCMVSFBYSYPJ-UHFFFAOYSA-N 245.351 2.864 0 30 BFAC COc1cc(N=C=O)c(Cl)cc1Cl 34283849 PCUHBQYQBFOLNB-UHFFFAOYSA-N 218.039 2.969 0 30 BFAC C[C@@H]1Nc2cc(Cl)c(Cl)cc2NC1=O 57926844 SJFDPQBNAWKVCZ-BYPYZUCNSA-N 231.082 2.746 0 30 BFAC Oc1cnc(Br)c2ccccc12 75272292 LCWUTWCJYIMOMA-UHFFFAOYSA-N 224.057 2.703 0 30 BFAC N[C@@H](c1ccc(F)cc1)[C@H](N)c1ccc(F)cc1 22942734 DWKHQEHNAPMAGG-OKILXGFUSA-N 248.276 2.665 0 30 BFAC in-vitro CN1C(=S)CS[C@H]1c1ccccc1 39124953 UYFLZSYADUTFCC-JTQLQIEISA-N 209.339 2.691 0 30 BFAC Cc1ccc(Br)c2ccc(=O)[nH]c12 70054958 FCJLRRAXASCLJD-UHFFFAOYSA-N 238.084 2.599 0 30 BFAC in-vitro Cn1nc(C2CCNCC2)c2cc(Cl)ccc21 79033406 YZJYFLJMWSAZPF-UHFFFAOYSA-N 249.745 2.694 0 30 BFAC CCN(CC)c1ncnc2sccc12 115949 TUFDCUHPGXLDSJ-UHFFFAOYSA-N 207.302 2.538 0 30 BFAC CC(C)[C@H]1CN(Cc2ccccc2)[C@H](C)CN1 35565299 JVAYRCCHNIZCMD-UKRRQHHQSA-N 232.371 2.505 0 30 BFAC CC(C)CN[C@H]1CCCc2cccnc21 85789448 LMXNFIHCTMSLCK-LBPRGKRZSA-N 204.317 2.705 0 30 BFAC in-vitro Cc1cc(C(F)F)c(N)c(Br)n1 216711472 ZSOSPOYMYSDNBT-UHFFFAOYSA-N 237.047 2.672 0 30 BFAC COc1ccc(C[C@H]2CCCNC2)cc1C 2555482 VSWHSJOXIJXKNF-CYBMUJFWSA-N 219.328 2.546 0 30 BFAC Cc1ccc([C@@H](CCO)c2ccccn2)cc1 33636955 PMJDJIICWDIDQO-CQSZACIVSA-N 227.307 2.904 0 30 BFAC O=C(O)c1coc2c(F)cc(Cl)cc12 75882420 NBVALMKGTJBSMO-UHFFFAOYSA-N 214.579 2.924 0 30 BFAC COc1ccc([C@@H]2CCCCCN2C(N)=O)cc1 78269025 ZMWZCYONFITNAT-ZDUSSCGKSA-N 248.326 2.691 0 30 BFAC CCc1c[nH]nc1-c1c(F)cccc1F 141272 KTPDJTLGHWSVFU-UHFFFAOYSA-N 208.211 2.917 0 30 BFAC C[C@@H](C(=O)c1ccccc1)[C@H](O)C(C)(C)C 21996914 BATLYISGCNQVRP-GWCFXTLKSA-N 220.312 2.912 0 30 BFAC COC(=O)C[C@H](C)C(=O)c1cc(C)ccc1C 32169790 QEKOOPKDUCYYHF-NSHDSACASA-N 234.295 2.685 0 30 BFAC CCOc1ccc2cccc(OC)c2n1 39099261 IZOZDAUAJNGVKR-UHFFFAOYSA-N 203.241 2.642 0 30 BFAC CNCc1cccc(Cl)c1Br 84530231 MRGWGNVEKQTTFH-UHFFFAOYSA-N 234.524 2.822 0 30 BFAC NCc1cc(C(F)(F)F)nc(C(F)(F)F)c1 95767013 KJFKPBZYLIUOIY-UHFFFAOYSA-N 244.138 2.578 0 30 BFAC Cc1ccc2c(c1)C(=O)C(=CN(C)C)CS2 1402080 LVFHXIJWSWHWCR-UHFFFAOYSA-N 233.336 2.729 0 30 BFAC Nc1ccccc1-c1ccccc1C(=O)O 33427204 MPXGYUHMYYDRPF-UHFFFAOYSA-N 213.236 2.634 0 30 BFAC COc1cc(Cl)nnc1-c1ccccc1 34278141 QQPPLPQPYYLNDE-UHFFFAOYSA-N 220.659 2.806 0 30 BFAC OC1CCN(C[C@@H]2CCCc3ccccc32)CC1 95348019 PDNGHOBCSXOYED-AWEZNQCLSA-N 245.366 2.563 0 30 BFAC in-vitro Clc1ccc2c(Br)cnn2c1 96304651 NDSUSIBEPFTVRQ-UHFFFAOYSA-N 231.480 2.750 0 30 BFAC Cc1cc(C(=O)c2ccc(O)cc2)c(C)o1 2037727 SSAQWXVJZDVART-UHFFFAOYSA-N 216.236 2.833 0 30 BFAC COc1c(C)cc(C)cc1[C@@H]1C[C@@H](C)CN1 3705017 MGFCKZHJFCDVDB-MFKMUULPSA-N 219.328 2.983 0 30 BFAC COC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 21991050 JRRNVFZDCOUHFB-VXGBXAGGSA-N 204.269 2.743 0 30 BFAC Cc1cc(C)c(CSCCN)c(C)c1 2383481 QLTKTNZOICIYRL-UHFFFAOYSA-N 209.358 2.804 0 30 BFAC Oc1cc(C(F)(F)F)nc(-c2cccs2)n1 17967732 KUNMEZHIGMXGCW-UHFFFAOYSA-N 246.213 2.930 0 30 BFAC C[C@@]1(c2ccccc2)C[C@@](C)(Cl)C(=O)O1 33610140 AIOSGNIKZIVZJX-NEPJUHHUSA-N 224.687 2.846 0 30 BFAC O=C(O)c1c(-c2ccccc2)noc1Cl 82291340 NOODULVPGVRXRA-UHFFFAOYSA-N 223.615 2.693 0 30 BFAC CC(C)(C)Sc1ccc(C(N)=S)nc1 83255151 SHSOYZAKNQQBDU-UHFFFAOYSA-N 226.370 2.606 0 30 BFAC in-vitro Cc1c(Br)cccc1[C@H](C)C(=O)O 84551529 BCSRXAKBMVHVCE-ZETCQYMHSA-N 243.100 2.946 0 30 BFAC COC(=O)c1c(C)nc2ccccc2c1Cl 95760993 ISRJCWLLGCDNPO-UHFFFAOYSA-N 235.670 2.983 0 30 BFAC O=C(O)c1ccc(O)c2c1C1CCC2CC1 139690845 OHULPESFZWWENH-UHFFFAOYSA-N 218.252 2.845 0 30 BFAC Cc1cc(C)n(-c2ccc([C@H](C)N)cc2F)n1 19872888 VEAQAAHHXLSNBA-JTQLQIEISA-N 233.290 2.648 0 30 BFAC in-vitro Cc1cc(CN2C[C@@H](C)O[C@H](C)C2)cc(C)c1O 20413070 ATKGIAOFPRSGHG-CHWSQXEVSA-N 249.354 2.618 0 30 BFAC CNc1ccccc1C(=O)NCc1cccs1 150994 OSMOQCRFVZMYQJ-UHFFFAOYSA-N 246.335 2.720 0 30 BFAC C[C@H]1C[C@@H](C)CN(C(=O)C2CCCC2)C1 13950496 HLQTYIFQYLZFEB-PHIMTYICSA-N 209.333 2.681 0 30 BFAC O=c1cc(-c2ccc(O)cc2)[nH]c2ccccc12 35962941 NFHVMJUQDROCSJ-UHFFFAOYSA-N 237.258 2.901 0 30 BFAC FC(F)(F)c1cnc(Cl)c(Cl)n1 118865063 QISCHXLTPQIMCO-UHFFFAOYSA-N 216.977 2.802 0 30 BFAC CNC(=O)[C@@]1(C(C)C)CCCCC[C@@H]1C 6037517 GAARKGMVKQICJE-WCQYABFASA-N 211.349 2.975 0 30 BFAC CNCc1ncc(-c2ccc(Cl)cc2)o1 33853286 SHUYPDDBZLNQIY-UHFFFAOYSA-N 222.675 2.714 0 30 BFAC C[C@]1(c2ccc3ccccc3c2)O[C@H]1C(=O)O 90693852 ZHPUQUVBHISIBQ-GXTWGEPZSA-N 228.247 2.538 0 30 BFAC CNc1ccc2cc(C(=O)O)ccc2c1 39085006 WPSQRSXGEYLOJA-UHFFFAOYSA-N 201.225 2.580 0 30 BFAC CCN1CC[C@H](c2cn(C)c3ccccc23)C1 39102745 VDUXMSGAIYIEQX-LBPRGKRZSA-N 228.339 2.988 0 30 BFAC CC(C)(CO)c1ccc2c(c1)CCCC2 57492613 IMKMZBLHCXSUHA-UHFFFAOYSA-N 204.313 2.835 0 30 BFAC CC(C)c1ccc(C[C@H]2CCNC2)cc1 57937906 RRNIMSBTHHAONA-CYBMUJFWSA-N 203.329 2.962 0 30 BFAC in-vitro COc1ccc(NCC2CCC2)cc1OC 83838238 BSEZPWSYHMMUFZ-UHFFFAOYSA-N 221.300 2.916 0 30 BFAC ON=C(Cl)c1cccc(Br)c1 256917578 PYTGMMRJSZMTOA-UHFFFAOYSA-N 234.480 2.824 0 30 BFAC CCCc1cc(=O)[nH]c(-c2cccc(C)c2)n1 13468368 SKMUXFIBTBCTNG-UHFFFAOYSA-N 228.295 2.698 0 30 BFAC CC(C)(C)c1ccc([C@@H]2COC(=O)N2)cc1 83966068 NHFRFGVAGVRFGK-NSHDSACASA-N 219.284 2.765 0 30 BFAC CC(=O)Cc1cccc(F)c1Br 84511685 SRUZLUPHSRLTLW-UHFFFAOYSA-N 231.064 2.720 0 30 BFAC CNc1ccc2c(OC)c(OC)ccc2c1 96328392 YGMBAYMWGOSEFD-UHFFFAOYSA-N 217.268 2.899 0 30 BFAC CC(C)(C)OC(=O)Nc1cn2c(n1)CCCC2 307475131 KEYGAWFQSIQURM-UHFFFAOYSA-N 237.303 2.566 0 30 BFAC CN1OC[C@H]2COc3ccc4ccccc4c3[C@@H]21 3133119 DAIVVDAWQFQQDF-IAQYHMDHSA-N 241.290 2.767 0 30 BFAC CC[Si](C)(C)CN1CCCC1=S 197992938 DMRIEAGZSGBJCR-UHFFFAOYSA-N 201.411 2.677 0 30 BFAC COC(=O)c1ncccc1-c1cccc(OC)c1 201075914 STLVJUBTJNXURL-UHFFFAOYSA-N 243.262 2.544 0 30 BFAC CCC(=O)O[C@@H](C)c1ccc(OC)cc1 33506270 WNHUSXOIBXEAMM-VIFPVBQESA-N 208.257 2.709 0 30 BFAC Cc1ccc(-c2nc(CN)cs2)cc1C 40999754 FDGXKFOVOQHTMX-UHFFFAOYSA-N 218.325 2.886 0 30 BFAC COC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 108685414 SQPPVXPLDGRDTH-BQBZGAKWSA-N 210.195 2.528 0 30 BFAC C/C=C/CC[C@H](OC)C(=O)Oc1ccccc1 141810848 MQHNLOZGYFLKNB-OOPCZODUSA-N 234.295 2.963 0 30 BFAC S=c1nc(Nc2ccccc2)nc(S)[nH]1 2019480 MLZQBMZXBHDWJM-UHFFFAOYSA-N 236.325 2.566 0 30 BFAC O=C(O)Cc1nc(C2CCCCC2)cs1 37367138 XFYFNRGNYTZTSI-UHFFFAOYSA-N 225.313 2.818 0 30 BFAC Clc1cccc(-c2nc3c(o2)CCNC3)c1 95642244 BTWRYTGFKQVPGC-UHFFFAOYSA-N 234.686 2.641 0 30 BFAC CCOC(=O)c1cc2ccc(C=O)cc2s1 117434125 XVRFYXPPJJGDJO-UHFFFAOYSA-N 234.276 2.891 0 30 BFAC CN(C)C[C@H](N)c1ccc(Cl)c(Cl)c1 19821360 YOFLNTLVVZMXLU-JTQLQIEISA-N 233.142 2.555 0 30 BFAC Cc1ccc(NC(=O)OCC(F)(F)F)c(C)n1 94666827 ATIUWAPBMKEKRT-UHFFFAOYSA-N 248.204 2.809 0 30 BFAC CS[C@@H](C(=O)O)c1cccc(Cl)c1 238383172 WREJFCAEDPZXLN-MRVPVSSYSA-N 216.689 2.829 0 30 BFAC CC1=CC[C@@H]([C@@H](C)CP(=O)(O)O)CC1 5767257 QBOXAKWKMIZAPC-VHSXEESVSA-N 218.233 2.547 0 30 BFAC Cc1cc(=O)[nH]c(C23CC4CC(CC(C4)C2)C3)n1 13467766 LDAGZCYJKXNMMG-UHFFFAOYSA-N 244.338 2.546 0 30 BFAC CCO[P@]1(=O)OC[C@H]2CCCC[C@@H]2O1 39432060 YELNSPXZJVCXBM-TVLCNXBWSA-N 220.205 2.737 0 30 BFAC FC(F)c1ccc(C[C@@H]2CCNC2)cc1 95829377 FBQHGDMSGNUKMU-JTQLQIEISA-N 211.255 2.776 0 30 BFAC in-vitro CC(C)c1ccc2oc(=O)cc(O)c2c1 2573998 LTIZBZIEZVUFJK-UHFFFAOYSA-N 204.225 2.622 0 30 BFAC CC(=O)Nc1ccc(O[C@@H]2CCCCO2)cc1 3652638 XROXKJRPYIKBQH-CYBMUJFWSA-N 235.283 2.550 0 30 BFAC COc1cc(OC)c2ccc(Cl)nc2c1 34591217 QXNBZDNWUYWVMZ-UHFFFAOYSA-N 223.659 2.905 0 30 BFAC Nc1cc(Oc2ccccc2)ccc1O 71463158 WQYFAQXHLFJZIK-UHFFFAOYSA-N 201.225 2.767 0 30 BFAC COC(=O)c1cc(C)c(F)cc1Br 144340777 KJBQTLTXHHHAFL-UHFFFAOYSA-N 247.063 2.683 0 30 BFAC