smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1ccc(-c2ccccc2S(=O)(=O)Cl)cc1 100006454 PYEWDESVBIEIIO-UHFFFAOYSA-N 282.748 3.290 70 50 CGIA Cc1cc(F)ccc1OCC(=O)Nc1ccc(F)cc1 160722501 DMUXBOLSOQQJNC-UHFFFAOYSA-N 277.270 3.291 70 50 CGIA O=S(=O)(Cl)c1ccc2cc(Cl)ccc2c1 100028972 IYFIYGSJZIICOZ-UHFFFAOYSA-N 261.129 3.421 70 50 CGIA in-vitro O=C([C@@H]1C[C@H]1c1ccccc1)N1CC(Oc2ccccc2)C1 217007489 QCHJSYUEKXQQRV-ZWKOTPCHSA-N 293.366 3.080 70 50 CGIA CP(=C1C=CC(=O)C=C1)(c1ccccc1)c1ccccc1 334157892 GQQGESYYQQVDON-UHFFFAOYSA-N 292.318 3.152 70 50 CGIA CC[C@@H](NC(=O)c1cccc(O)c1C)c1cccc(C)n1 218055334 YBVYRZZTCBSPBT-CQSZACIVSA-N 284.359 3.285 70 50 CGIA IC1C2CC3CC(C2)CC1C3 136560680 FAAVMSFWSBVPRS-UHFFFAOYSA-N 262.134 3.246 70 50 CGIA Fc1ccccc1OCCn1nc(C2CC2)nc1C1CC1 161447178 WOJHLHXOVJRJMX-UHFFFAOYSA-N 287.338 3.251 70 50 CGIA CC(C)Cc1nc2ccc(NC(=O)c3cccnc3)cc2[nH]1 218508767 VQLMIZMDWMDSNS-UHFFFAOYSA-N 294.358 3.409 70 50 CGIA CCC(=O)Nc1cccc2c(S(=O)(=O)Cl)cccc12 95697006 RTKOSQNWLBWPSE-UHFFFAOYSA-N 297.763 3.116 70 50 CGIA COC[C@H]1CCCN(C(=O)c2cc3ccccc3cc2O)C1 217059179 YYRULRUQNIGKAF-ZDUSSCGKSA-N 299.370 3.044 70 50 CGIA Cc1ccccc1Oc1ccc(S(=O)(=O)F)cc1 675066497 LWGFTLOJHCXTES-UHFFFAOYSA-N 266.293 3.446 70 50 CGIA Cc1cc(Cl)cc(Cl)c1S(=O)(=O)Cl 95747813 LHMUXGRPLOUXAY-UHFFFAOYSA-N 259.541 3.229 70 50 CGIA COc1cccc(B2Nc3cccc4cccc(c34)N2)c1 169975126 KQWSJBNQJNULIJ-UHFFFAOYSA-N 274.132 3.081 70 50 CGIA in-vitro Cc1nc(NC(=O)CC2CCCC2)cc(C2CC2)n1 159962892 OTSSMXUEBMBJAX-UHFFFAOYSA-N 259.353 3.181 70 50 CGIA Cc1ccc2c(S(=O)(=O)Cl)c(C#N)sc2c1 725344558 ZSJLOXUDYMKALJ-UHFFFAOYSA-N 271.750 3.009 70 50 CGIA c1ccc([C@@H]2CCCN(CCn3ccnc3)CC2)cc1 159801135 GCLZOZYHHOZPMQ-QGZVFWFLSA-N 269.392 3.153 70 50 CGIA O=S(=O)(F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 584630697 YVFFTUWAMGCGKF-UHFFFAOYSA-N 296.163 3.382 70 50 CGIA Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)C[C@H](O)C(C)C)o1 161503246 ZIEYUBSCVLYHPA-SNPRPXQTSA-N 293.407 3.295 70 50 CGIA COc1ccccc1Oc1ccc(S(=O)(=O)F)cc1 675066575 NUQKTLWFPALAEP-UHFFFAOYSA-N 282.292 3.146 70 50 CGIA COc1cccc(F)c1C(=O)N[C@H](C)c1ncccc1C 218752180 JSOBVVKVMCNTLL-LLVKDONJSA-N 288.322 3.029 70 50 CGIA CCOc1ccc(C(=O)N2CCC[C@@H]2c2ccccn2)o1 217500891 KMXHSAKUHJIGOK-CYBMUJFWSA-N 286.331 3.051 70 50 CGIA O=S(=O)(Cl)/C=C/c1ccc(C(F)(F)F)cc1 147705535 REBMFKYPZPZKKL-AATRIKPKSA-N 270.659 3.245 70 50 CGIA CC(C)(C)C[C@H](NC(=O)c1cccnc1)c1cccnc1 218727008 IHZOLXFGRRAZSD-HNNXBMFYSA-N 283.375 3.384 70 50 CGIA COc1ccc(C)cc1C(=O)N[C@@H](C)c1ncccc1C 218477870 TXFLRXCLVHUUPK-ZDUSSCGKSA-N 284.359 3.198 70 50 CGIA CC(C)(C)OC(=O)N1CC[C@@H]2C[C@]2([B-](F)(F)F)C1 725326705 OVLJXVJJIKXPMO-KCJUWKMLSA-N 264.076 3.235 70 50 CGIA CCN(C[C@H]1CCCCO1)C(=O)c1ccc2ncccc2c1 218435599 PWUIODHYRZYMIA-MRXNPFEDSA-N 298.386 3.266 70 50 CGIA Cc1cccc2sc(C#N)c(S(=O)(=O)Cl)c12 725344341 PEEWVADOUZDMFZ-UHFFFAOYSA-N 271.750 3.009 70 50 CGIA O=S(=O)(Cl)c1ccc(C(F)(F)F)cc1Cl 77913457 NJXDBSSSDPOAFI-UHFFFAOYSA-N 279.066 3.286 70 50 CGIA in-vitro Cc1sc(Cl)nc1C(=O)NCCc1ccccc1 218226401 VHLYXYDIRXOYBW-UHFFFAOYSA-N 280.780 3.077 70 50 CGIA O=S(=O)(F)c1ccc(Oc2cccc(F)c2)cc1 675064674 QMNBVOHEXFFSKM-UHFFFAOYSA-N 270.256 3.276 70 50 CGIA CC[C@H](NC(=O)c1cc(Cl)cn1C)c1c(C)noc1C 160586062 UNVJNANCQOMDQX-NSHDSACASA-N 295.770 3.164 70 50 CGIA CCB(CC)OC(=O)c1ncc2ccccc2c1O 169873133 TXBXNTWEMTUAJB-UHFFFAOYSA-N 257.098 3.129 70 50 CGIA CC(C)(C)OC(=O)N1[C@H]2C=C([B-](F)(F)F)C[C@H]1CC2 208326003 DCROOAVMFXDXNH-NXEZZACHSA-N 276.087 3.471 70 50 CGIA CO[C@@H](C(=O)N1CCc2c(F)cccc2C1)c1ccccc1 161006243 QFTHOCPWEZNZML-QGZVFWFLSA-N 299.345 3.098 70 50 CGIA C[C@H]1CC(=O)CC[C@H]1C(=O)Nc1ccc2[nH]ccc2c1 159668090 WOJCMIATHXQSOQ-IINYFYTJSA-N 270.332 3.112 70 50 CGIA O=C(NCc1ccco1)c1ccc(F)c(-n2cccc2)c1 218468778 FJESSRITVJLHRW-UHFFFAOYSA-N 284.290 3.139 70 50 CGIA O=S(=O)(Cl)c1c(F)c(F)cc(Cl)c1Cl 100542366 UBKCCKQCKOAZGU-UHFFFAOYSA-N 281.494 3.199 70 50 CGIA O=C(N[C@H]1COC2(CCCCC2)C1)c1ccc2cc[nH]c2c1 218417908 RFPRYYAAABXKQQ-OAHLLOKOSA-N 298.386 3.390 70 50 CGIA Cc1cc(C(=O)N(C)[C@H](C)c2ccncn2)ccc1Cl 218089748 XALYYZFQKZYJOI-LLVKDONJSA-N 289.766 3.272 70 50 CGIA CCOC(=O)c1ccc(-c2ccccc2OC)nc1C 159374108 ODTGYEYXMQOOGN-UHFFFAOYSA-N 271.316 3.242 70 50 CGIA Cc1ccc(C)c(C(=O)NCCCC[C@@H]2CCCO2)c1 218338817 YDNUGBNYZPGNBL-OAHLLOKOSA-N 275.392 3.383 70 50 CGIA CC(C)(C)OC(=O)N1CCC(COC[B-](F)(F)F)CC1 198026166 JOLNKVYFWOQDDW-UHFFFAOYSA-N 296.118 3.037 70 50 CGIA C[SiH](c1ccccc1)c1ccccc1-c1ccccc1 169817499 FHKRYCOXOXRUFR-UHFFFAOYSA-N 274.439 3.325 70 50 CGIA CC[C@@H](NC(=O)c1ccccc1SC)c1ccnn1C 218745934 LYJZSQGZUZLFEI-GFCCVEGCSA-N 289.404 3.023 70 50 CGIA C[SiH](C)c1c(Cl)cc(Cl)c([SiH](C)C)c1Cl 169817461 UKZIBJGYEQPZIU-UHFFFAOYSA-N 297.761 3.034 70 50 CGIA O=C(NCCc1ccncc1)C1(c2ccccc2)CCCC1 217012771 UELNENIQSHXJHW-UHFFFAOYSA-N 294.398 3.252 70 50 CGIA c1csc(B2Nc3cccc4cccc(c34)N2)c1 169975099 PCOLVTMAEMWQTR-UHFFFAOYSA-N 250.135 3.134 70 50 CGIA in-vitro O=S(=O)(F)Oc1cnc2c(Cl)c(Cl)ccc2c1 1875368548 ZVGBKPJDRARNFU-UHFFFAOYSA-N 296.106 3.135 70 50 CGIA COc1cccc(-c2ccc(S(=O)(=O)F)cc2)c1 675064183 DBOWSZFBSDEIFH-UHFFFAOYSA-N 266.293 3.020 70 50 CGIA O=S(=O)(F)c1cc(Cl)cc(C(F)(F)F)c1 675066119 XGLNCQHUJLWZKG-UHFFFAOYSA-N 262.611 3.017 70 50 CGIA Nc1ccc(SC[C@@H]2CCCN3CCCC[C@H]23)nc1 218046564 QMPGMNYEHWSANV-GXTWGEPZSA-N 277.437 3.020 70 50 CGIA biogenic Cc1cc2c(c(=O)o1)[C@@H](c1ccc(Cl)cc1)CC(=O)O2 218055682 WIZIBPQWGYNEIG-LLVKDONJSA-N 290.702 3.043 70 50 CGIA biogenic CCCc1ccc(CN2C[C@@H]3CC[C@H](C2)[C@@H]3OC)o1 217375633 OOXHNKBDEPWMHP-VIKVFOODSA-N 263.381 3.089 70 50 CGIA O=S(=O)(Cl)c1cc(Cl)c(F)c(Cl)c1 100480413 DVAHBTCBQASAHZ-UHFFFAOYSA-N 263.504 3.060 70 50 CGIA Cl[Si](Cl)(Cl)C#C[Si](Cl)(Cl)Cl 195803152 YVAMNMBARCMOTI-UHFFFAOYSA-N 292.912 3.379 70 50 CGIA CC[C@@H](NC(=O)CCSC)c1nc(C)c(C)s1 218253301 DOZIQCGBINVAQC-SNVBAGLBSA-N 272.439 3.080 70 50 CGIA CSc1ccc(CN(C)Cc2cn(C)nc2C)cc1 160906429 FNNPUQGYGOTEDL-UHFFFAOYSA-N 275.421 3.082 70 50 CGIA CC[C@H](NC(=O)c1ccc(C)o1)c1c(C)noc1C 160156609 HGGHBXOJCQFCRY-NSHDSACASA-N 262.309 3.074 70 50 CGIA Cc1ccc(C)c(CC(=O)N(C)CC[C@@H]2CCCCO2)c1 217778326 AYNASUJXGTWEPF-KRWDZBQOSA-N 289.419 3.264 70 50 CGIA CC(C)(C)OC(=O)n1cc([B-](F)(F)F)c2ccccc21 170017296 XGWUPYJCHCOOMU-UHFFFAOYSA-N 284.066 3.479 70 50 CGIA COc1ccnc(CNC(=O)c2cc(C(C)C)oc2C)c1 218600183 LUIRBSYHLBVTCB-UHFFFAOYSA-N 288.347 3.045 70 50 CGIA CC(C)Cc1ccc(CN2C[C@@H]3CC[C@H](C2)[C@@H]3O)s1 216907891 OWLDXYFFSYOASU-VIKVFOODSA-N 279.449 3.149 70 50 CGIA O=C(NCC[C@H]1CCCCO1)c1cc(F)cc(Cl)c1 217134507 XXGQLAZNXWXXGI-CYBMUJFWSA-N 285.746 3.168 70 50 CGIA CCCC[C@H]1CCCN1Cc1cc(C(C)=O)cn1C 217946457 NOCIXUDWWOOYLC-HNNXBMFYSA-N 262.397 3.382 70 50 CGIA O=S(=O)(Cl)c1cc(F)c(Cl)cc1Cl 95682154 ZCMMZABUTDMFDX-UHFFFAOYSA-N 263.504 3.060 70 50 CGIA C(=C/[SiH](c1ccccc1)c1ccccc1)\c1ccccc1 169817097 OLQCHFRSXXLYAI-WUKNDPDISA-N 286.450 3.281 70 50 CGIA Cc1nc(NC(=O)[C@H](C)c2cccs2)cc(C2CC2)n1 160090209 CCVVGHDCQVDDGX-SECBINFHSA-N 287.388 3.466 70 50 CGIA CCOc1cc(C)c(S(=O)(=O)Cl)cc1C(C)C 59093272 VVEUVKIKDYYYTH-UHFFFAOYSA-N 276.785 3.445 70 50 CGIA O=S(=O)(Cl)c1ccc2cc(C(F)(F)F)cnc2c1 261507957 OGNPUOHQFSPZAU-UHFFFAOYSA-N 295.669 3.181 70 50 CGIA Cc1cc2c(c(=O)o1)[C@H](c1ccc(Cl)cc1)CC(=O)O2 218055629 WIZIBPQWGYNEIG-NSHDSACASA-N 290.702 3.043 70 50 CGIA biogenic CN(C)CCOc1ccccc1CN1CCCCCCC1 218631546 ZFGXKZJTDYEINN-UHFFFAOYSA-N 290.451 3.393 70 50 CGIA COc1ccc(C)cc1C(=O)N[C@H](C)c1ncccc1C 218477947 TXFLRXCLVHUUPK-CYBMUJFWSA-N 284.359 3.198 70 50 CGIA ClCc1ccc([Si](Cl)(Cl)Cl)cc1 169746955 YBYBQFPZMKPGPJ-UHFFFAOYSA-N 260.023 3.288 70 50 CGIA CC[C@@H](C(=O)Nc1ccncc1F)c1ccc(F)cc1 161459136 MZTDTEYJDJPUDS-GFCCVEGCSA-N 276.286 3.492 70 50 CGIA CSC[C@@H](CCO)Nc1ccnc2c(F)cc(F)cc12 159605846 ASHGETNXWMABEF-SNVBAGLBSA-N 298.358 3.039 70 50 CGIA CCCn1c(C)nnc1CN(C#N)c1cccc(CC)c1 161406360 TWLQHHVJFJGVDG-UHFFFAOYSA-N 283.379 3.047 70 50 CGIA O=S(=O)(Cl)c1c(Cl)ccc(F)c1Cl 263623263 GANXNBXCUWROMR-UHFFFAOYSA-N 263.504 3.060 70 50 CGIA COc1c(C)n(CC(=O)c2ccc(C(C)C)cc2)ccc1=O 218489012 IXWMTGMCYQOOBN-UHFFFAOYSA-N 299.370 3.172 70 50 CGIA Cc1cc(Cl)c(Cl)cc1S(=O)(=O)Cl 100153607 TYZBDEJHZYVWRM-UHFFFAOYSA-N 259.541 3.229 70 50 CGIA in-vitro C[Si](C)(Cl)c1c(F)c(F)c(F)c(F)c1F 169746820 PQRFRTCWNCVQHI-UHFFFAOYSA-N 260.665 3.033 70 50 CGIA CC[C@@H](NC(=O)c1oc(C)cc1C)c1c(C)noc1C 160208011 WROAZBANCQMOHP-GFCCVEGCSA-N 276.336 3.382 70 50 CGIA Cc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)Cl 100021423 XMARVFSWDHTTLC-UHFFFAOYSA-N 285.752 3.194 70 50 CGIA CC(C)[C@H]1OCC[C@@H]1CN[C@@H](C)CCc1ccco1 160826254 GFWVBEIVWHTCLO-SQWLQELKSA-N 265.397 3.251 70 50 CGIA O=S(=O)(Cl)c1cc(Cl)cc(Cl)c1F 263623133 DXJKDGUYBAXXHN-UHFFFAOYSA-N 263.504 3.060 70 50 CGIA CCCCC(=O)Nc1ccccc1-n1ccc(C)n1 161158866 XKHHDJNHDGESQZ-UHFFFAOYSA-N 257.337 3.309 70 50 CGIA C[Si](C)(C)O[SiH](O[Si](C)(C)C)O[Si](C)(C)C 169743170 FDWGGTLVZGTDGQ-UHFFFAOYSA-N 296.664 3.258 70 50 CGIA C[SiH](c1ccccc1)c1ccc(-c2ccccc2)cc1 169817091 SRWNWGHQXHVCRT-UHFFFAOYSA-N 274.439 3.325 70 50 CGIA CSc1ncccc1C(=O)N1C[C@H]2CC=C(C)C[C@H]2C1 218601107 JJDNLYGDTUQKJU-OLZOCXBDSA-N 288.416 3.232 70 50 CGIA COc1ccc(-c2cccc(S(=O)(=O)Cl)c2)cc1 100006187 ONPBVDQBERKQFO-UHFFFAOYSA-N 282.748 3.290 70 50 CGIA C[C@@H](c1ccc(Cl)cc1Cl)N(C)S(=O)(=O)F 1875373803 OZNPPKWMZAKPLX-LURJTMIESA-N 286.155 3.201 70 50 CGIA O=S(=O)(F)c1ccc(Cl)cc1C(F)(F)F 238855417 RRBPBTGPXJSEPJ-UHFFFAOYSA-N 262.611 3.017 70 50 CGIA O=S(=O)(Cl)c1cc(Br)c(Cl)s1 95748080 PABOKJJDABSQCK-UHFFFAOYSA-N 295.994 3.092 70 50 CGIA in-vitro Cc1cc([C@H](C)NC(=O)CC2CCNCC2)cc(C)c1F 161299713 PMCWXXYWUZENDS-ZDUSSCGKSA-N 292.398 3.009 70 50 CGIA O=S(=O)(F)CC[C@@H](c1ccccc1)C(F)(F)F 1772718028 PWQIRBGLXOHTTR-VIFPVBQESA-N 270.247 3.022 70 50 CGIA CCCCCOc1ccc(S(=O)(=O)Cl)cc1 100068873 WPNBAZJJEQNSOH-UHFFFAOYSA-N 262.758 3.183 70 50 CGIA O=C(Cc1ccccn1)N1CC[C@H](C2CCCCC2)C1 217681903 KZSPMJFBRVEBRP-HNNXBMFYSA-N 272.392 3.053 70 50 CGIA C[C@H]1CC(=O)CC[C@@H]1C(=O)Nc1ccc2[nH]ccc2c1 159667833 WOJCMIATHXQSOQ-HZMBPMFUSA-N 270.332 3.112 70 50 CGIA CCCC(CCC)C(=O)N1CCC[C@@H](c2ccncn2)C1 218706920 FSFVFFAANOTYHB-OAHLLOKOSA-N 289.423 3.399 70 50 CGIA CCN(CC)c1ccc2cc(C(=O)N=[N+]=[N-])c(=O)oc2c1 12956376 FJIQMYGHCNXCHE-UHFFFAOYSA-N 286.291 3.090 70 50 CGIA O=C(NCC1(CO)CCCC1)c1cc2ccccc2s1 160297113 SCMKGAWJCBXSDO-UHFFFAOYSA-N 289.400 3.184 70 50 CGIA COc1ccc(CN2CC[C@@H](CNc3ccccn3)C2)cc1 160904780 STJSPPTWUKQNDG-INIZCTEOSA-N 297.402 3.024 70 50 CGIA O=S(=O)(F)Oc1ccc(Nc2ccccc2)cc1 1875374725 YYDFGPOVHKORTN-UHFFFAOYSA-N 267.281 3.023 70 50 CGIA NC(=O)COc1ccc2occ(-c3ccsc3)c2c1 218337540 IPPZHQDEBREUKF-UHFFFAOYSA-N 273.313 3.025 70 50 CGIA CC(C)C(=O)N[C@H](c1nc2ccccc2n1C)C(C)C 218253082 KSGOBBVDHFCJCH-AWEZNQCLSA-N 273.380 3.043 70 50 CGIA Cc1cc(C)c2sc(C#N)c(S(=O)(=O)Cl)c2c1 725344186 KBZWLGSMUHTBRI-UHFFFAOYSA-N 285.777 3.317 70 50 CGIA CC[C@@H](NC(=O)c1cc(Cl)cn1C)c1c(C)noc1C 160586183 UNVJNANCQOMDQX-LLVKDONJSA-N 295.770 3.164 70 50 CGIA O=S(=O)(Cl)c1c(Cl)cccc1Br 100541677 JLWJHDPRSPJELX-UHFFFAOYSA-N 289.965 3.030 70 50 CGIA in-vitro CC(=O)c1ccc2c(c1O)[C@H](c1ccccc1)CC(=O)O2 217766378 HIUTUMGESXTECA-ZDUSSCGKSA-N 282.295 3.036 70 50 CGIA biogenic COc1ccc(-c2ccc(S(=O)(=O)F)cc2)cc1 257354946 GKOAHXFFXWQOBJ-UHFFFAOYSA-N 266.293 3.020 70 50 CGIA CC(C)Oc1ccc(S(=O)(=O)F)c2ccccc12 675063138 JGZJEULGFRCXFO-UHFFFAOYSA-N 268.309 3.285 70 50 CGIA CO[C@@H]1CCOC[C@H]1Nc1ccnc2ccc(Cl)cc12 217811018 WOHTVOOGDICKLX-HUUCEWRRSA-N 292.766 3.104 70 50 CGIA O=S(=O)(Cl)c1ccccc1Oc1ccccc1 100006601 MFBATEXBHGBONO-UHFFFAOYSA-N 268.721 3.406 70 50 CGIA C[C@@H]1CC(=O)CC[C@H]1C(=O)Nc1ccc2[nH]ccc2c1 159667971 WOJCMIATHXQSOQ-QMTHXVAHSA-N 270.332 3.112 70 50 CGIA COCC1(CNC(=O)c2cnc3ccccc3c2)CCCC1 218335130 IJWQQWQWWQDWCF-UHFFFAOYSA-N 298.386 3.171 70 50 CGIA Cc1ccc(C)c(C(=O)NCCCC[C@H]2CCCO2)c1 218338892 YDNUGBNYZPGNBL-HNNXBMFYSA-N 275.392 3.383 70 50 CGIA O=S(=O)(Cl)c1cccc(Oc2ccccc2)c1 95697013 JXJUPXKGJUPDHK-UHFFFAOYSA-N 268.721 3.406 70 50 CGIA CC(=O)c1cc(-c2ccccc2)ccc1OS(=O)(=O)F 1875389954 VEILYQZLOHEMPZ-UHFFFAOYSA-N 294.303 3.149 70 50 CGIA Cc1ccc(C(=O)N(C)[C@H](C)Cc2ccsc2)cc1N 161463063 AGQQWAXUXLCYBE-GFCCVEGCSA-N 288.416 3.342 70 50 CGIA C[C@@H](Cl)CN(CC(=O)OC(C)(C)C)Cc1ccccc1 117621016 KZTZQVGKKNYHST-CYBMUJFWSA-N 297.826 3.458 70 50 CGIA CC(C)(C)C[C@@H](NC(=O)c1cccnc1)c1cccnc1 218726930 IHZOLXFGRRAZSD-OAHLLOKOSA-N 283.375 3.384 70 50 CGIA C[SiH](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 169746918 LREFQVUTVCXKES-UHFFFAOYSA-N 272.264 3.418 70 50 CGIA CC(C)C(C)(C)[Si](C)(C)OS(=O)(=O)C(F)(F)F 169877485 HUCZOYCXPWONIR-UHFFFAOYSA-N 292.395 3.494 70 50 CGIA O=S(=O)(Cl)c1cccc(-c2ccccc2)c1 100006184 LKSVJXWZVULUDA-UHFFFAOYSA-N 252.722 3.281 70 50 CGIA CCCCOc1ccccc1C(=O)N(C)Cc1ccon1 217389932 UNMRTZQIRJGRJU-UHFFFAOYSA-N 288.347 3.126 70 50 CGIA O=S(=O)(F)c1cc(C(F)(F)F)ccc1Cl 100216362 WTOANJPMZPJIIP-UHFFFAOYSA-N 262.611 3.017 70 50 CGIA CC(C)(C)OC(=O)n1ccc2cc([B-](F)(F)F)ccc21 170164521 VKTXOBNNAAEKQW-UHFFFAOYSA-N 284.066 3.479 70 50 CGIA CCOc1cc(Cl)c(S(=O)(=O)Cl)cc1Cl 59093473 PYFRLZCSAXMOPX-UHFFFAOYSA-N 289.567 3.320 70 50 CGIA Cc1cccc(B2Nc3cccc4cccc(c34)N2)c1 169975123 WWOCDJPTCDLFMK-UHFFFAOYSA-N 258.133 3.381 70 50 CGIA in-vitro CC(C)(C)OC(=O)N1CCC([B-](F)(F)F)CC1 205583983 XTDFAPKSEVOBMO-UHFFFAOYSA-N 252.065 3.235 70 50 CGIA in-vitro CCSc1ccc(C(=O)NC[C@@H]2CCCCO2)s1 217162352 ICMYMRBJJXOPML-JTQLQIEISA-N 285.434 3.159 70 50 CGIA Fc1cccc(Cl)c1CN1CC[C@@H]2NCCC[C@@H]2C1 160362622 XSEOHNZFPOGDOP-ABAIWWIYSA-N 282.790 3.053 70 50 CGIA O=S(=O)(F)c1ccc(OCC(F)F)c2ccccc12 675063165 LDJSZYHETLWTHE-UHFFFAOYSA-N 290.262 3.142 70 50 CGIA CC[Si](CC)(OS(=O)(=O)C(F)(F)F)C(C)C 169806631 RIXRWPWLOMOUPT-UHFFFAOYSA-N 278.368 3.248 70 50 CGIA O=S(=O)(Cl)c1ccc(-c2ccc(F)cc2)cc1 95749460 CIDMHDJTWVMBIF-UHFFFAOYSA-N 270.712 3.420 70 50 CGIA in-vitro CCCCc1ccc(CN2CCN(C)[C@@H](C)C2)s1 217963958 PNUSLUNKRALEHO-ZDUSSCGKSA-N 266.454 3.227 70 50 CGIA COc1ccc2ccccc2c1CN1C[C@@H]2CC[C@H](C1)[C@@H]2O 217802459 HJHJAXFXOSGDPU-QWHZDKJVSA-N 297.398 3.051 70 50 CGIA COc1ccc(CN2CC[C@H](CNc3ccccn3)C2)cc1 160904641 STJSPPTWUKQNDG-MRXNPFEDSA-N 297.402 3.024 70 50 CGIA Cc1cccc2oc(CNC(=O)CCC(F)(F)F)nc12 218747221 QERZASBFYBYXIZ-UHFFFAOYSA-N 286.253 3.095 70 50 CGIA Cc1nc(-c2ccccc2)sc1S(=O)(=O)Cl 95749411 NGDQQLAVJWUYSF-UHFFFAOYSA-N 273.766 3.046 70 50 CGIA CC(C)(C)Nc1ccc(OS(=O)(=O)C(F)(F)F)cc1 526058856 XOJVNEGCIFTPJV-UHFFFAOYSA-N 297.298 3.125 70 50 CGIA CC[C@H](NC(=O)c1ccccc1SC)c1ccnn1C 218745971 LYJZSQGZUZLFEI-LBPRGKRZSA-N 289.404 3.023 70 50 CGIA COc1ccc(-n2cccn2)c(CN(C)Cc2ccco2)c1 218005528 NWODBTKINRKKRZ-UHFFFAOYSA-N 297.358 3.106 70 50 CGIA CCSc1ccc(C(=O)NC[C@H]2CCCCO2)s1 217162360 ICMYMRBJJXOPML-SNVBAGLBSA-N 285.434 3.159 70 50 CGIA O=S(=O)(Cl)c1cc(F)cc(Cl)c1Cl 263623595 IWETYJRKFBHCJV-UHFFFAOYSA-N 263.504 3.060 70 50 CGIA O=S(=O)(Cl)CC(c1ccccc1)c1ccccc1 100006311 DYESDWUOAPVIIV-UHFFFAOYSA-N 280.776 3.387 70 50 CGIA Cc1ccc(CCC(=O)N[C@H](C)Cc2cccnc2)cc1C 217651690 PVZMRIIMTSREOI-MRXNPFEDSA-N 296.414 3.378 70 50 CGIA CSC[C@H](CCO)Nc1ccnc2c(F)cc(F)cc12 159605992 ASHGETNXWMABEF-JTQLQIEISA-N 298.358 3.039 70 50 CGIA C=CC[Si]1(Cl)O[C@H](c2ccccc2)[C@@H](C)N1C 170162982 XHCRAANIMMYPDV-HWURVSIFSA-N 267.832 3.442 70 50 CGIA C[C@@H]1CC(=O)CC[C@@H]1C(=O)Nc1ccc2[nH]ccc2c1 159667696 WOJCMIATHXQSOQ-YGRLFVJLSA-N 270.332 3.112 70 50 CGIA OC1(c2cc(C(F)(F)F)ccc2Br)CC1 159864785 HMNCHWXCKVKIBK-UHFFFAOYSA-N 281.071 3.449 70 50 CGIA CC(C)(C)c1ccc(OS(=O)(=O)C(F)(F)F)cc1 113147943 LNLGXWZOBTUQSC-UHFFFAOYSA-N 282.283 3.213 70 50 CGIA O=S(=O)(Cl)Cc1c(Cl)cccc1Cl 100025183 JAIDEMJIMSTEKX-UHFFFAOYSA-N 259.541 3.062 70 50 CGIA CC(C)(C)n1ccc(C(=O)NCCCc2ccncc2)c1 218175129 XHHCIOQGMAPJNF-UHFFFAOYSA-N 285.391 3.001 70 50 CGIA Cc1cc(S(=O)(=O)Cl)c(Cl)cc1Cl 95713599 DFBKCDYLPLBSJP-UHFFFAOYSA-N 259.541 3.229 70 50 CGIA Cc1cc(N[C@@H]2C[C@@H]3OCC[C@@H]32)c2ccccc2n1 217724456 WZVANSULPAXWLY-WQVCFCJDSA-N 254.333 3.133 70 50 CGIA O=C(Cc1ccsc1)N1CC[C@H]1c1ccc(F)cc1 218400629 GEQZICOAZIBNBL-AWEZNQCLSA-N 275.348 3.403 70 50 CGIA O=S(=O)(Cl)c1cc(Cl)cc(C(F)(F)F)c1 100502278 JYUGVORTFRFETG-UHFFFAOYSA-N 279.066 3.286 70 50 CGIA in-vitro CC(C)(C)OC(=O)Nc1ccc([B-](F)(F)F)c(F)c1 170017292 PHHPNNAVCNHLCJ-UHFFFAOYSA-N 278.034 3.227 70 50 CGIA CC[C@H](C(=O)Nc1ccncc1F)c1ccc(F)cc1 161459016 MZTDTEYJDJPUDS-LBPRGKRZSA-N 276.286 3.492 70 50 CGIA COc1ccccc1Oc1cccc(S(=O)(=O)Cl)c1 100006153 OKUIQFDHDUXTFO-UHFFFAOYSA-N 298.747 3.415 70 50 CGIA CO[C@H]1CCN(C(=O)c2ccccc2-c2ccc(F)cc2)C1 218345000 RLFXDWHIXBWMHJ-HNNXBMFYSA-N 299.345 3.354 70 50 CGIA O=S(=O)(Cl)c1ccc(Cl)cc1C(F)(F)F 100014869 DQKPVVIVMURTDM-UHFFFAOYSA-N 279.066 3.286 70 50 CGIA in-vitro Cc1nc(-c2ccc(S(=O)(=O)Cl)cc2)cs1 100025261 JNGQNRAIASLBQA-UHFFFAOYSA-N 273.766 3.046 70 50 CGIA Cc1ccc(CCC(=O)N[C@@H](C)Cc2cccnc2)cc1C 217651589 PVZMRIIMTSREOI-INIZCTEOSA-N 296.414 3.378 70 50 CGIA O=S(=O)(Cl)c1ccc(Cl)c2ccccc12 95698272 IWWVSFPGXLWBPN-UHFFFAOYSA-N 261.129 3.421 70 50 CGIA CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CCl 143606101 WARPMJDCWSGQKT-UHFFFAOYSA-N 279.689 3.293 70 50 CGIA O=S(=O)(Cl)c1cc(Cl)cc(Br)c1 100541797 TVNXVTHWGFPUFR-UHFFFAOYSA-N 289.965 3.030 70 50 CGIA in-vitro Cc1cc(C(=O)N(C)[C@@H](C)c2ccncn2)ccc1Cl 218089660 XALYYZFQKZYJOI-NSHDSACASA-N 289.766 3.272 70 50 CGIA Cc1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@@]3(C)C2=O)c1C 217397309 OZJVMIJHEXQGSW-BWQRHGBYSA-N 281.355 3.005 70 50 CGIA CC(C)(C)OC(=O)N1CC[C@@]2([B-](F)(F)F)C[C@H]2C1 725239061 BNYFOAVYOPULSD-GZMMTYOYSA-N 264.076 3.235 70 50 CGIA Cc1cc(C(=O)N2CCC[C@H]2c2ccccn2)c(C)n1C 218243959 JALKWYCBXCBJDS-INIZCTEOSA-N 283.375 3.014 70 50 CGIA CC(C)(C)OC(=O)N1CC=C(C(F)(F)F)CC1 160239821 HJGCURJSUUAGIT-UHFFFAOYSA-N 251.248 3.116 70 50 CGIA O=S(=O)(F)Oc1ccc(CSC2CCC2)cc1 1875382667 LKQPKQWJJIKKNG-UHFFFAOYSA-N 276.354 3.065 70 50 CGIA Cc1cc(C)c2sc(C#N)c(S(=O)(=O)F)c2c1 725344427 SKZCTUFRBCUNEE-UHFFFAOYSA-N 269.322 3.048 70 50 CGIA O=S(=O)(Cl)c1ccc(Br)c(Cl)c1 95698359 FSNCFUWFJZQPTR-UHFFFAOYSA-N 289.965 3.030 70 50 CGIA in-vitro CCN(Cc1cnn(C(C)C)c1)C(=O)Cc1ccsc1 218742377 CETGSDYVGPQDMU-UHFFFAOYSA-N 291.420 3.117 70 50 CGIA CC(=O)c1ccc(-c2ccc(S(=O)(=O)Cl)cc2)cc1 95698397 RQXCOVHVSGLWBA-UHFFFAOYSA-N 294.759 3.484 70 50 CGIA Cc1nc(-c2ccc(S(=O)(=O)Cl)s2)cs1 95707748 YIKNRCVJBOLZFL-UHFFFAOYSA-N 279.795 3.108 70 50 CGIA in-vitro Cc1c(Cl)ccc(S(=O)(=O)Cl)c1Cl 59281338 XMKNKDQXFBQJDP-UHFFFAOYSA-N 259.541 3.229 70 50 CGIA C[SiH](c1ccccc1)c1ccc(Oc2ccccc2)cc1 169817081 SAGQBWOWZQLSMH-UHFFFAOYSA-N 290.438 3.450 70 50 CGIA N#Cc1ccc(-c2ccc(S(=O)(=O)Cl)cc2)cc1 101684669 NDDMCEPDACAXDC-UHFFFAOYSA-N 277.732 3.153 70 50 CGIA Cc1cc([C@@H](C)NC(=O)CC2CCNCC2)cc(C)c1F 161299611 PMCWXXYWUZENDS-CYBMUJFWSA-N 292.398 3.009 70 50 CGIA CCOC(=O)CCCc1oc2ccccc2c1[B-](F)(F)F 215944094 PZOONGZAFCVSMS-UHFFFAOYSA-N 299.077 3.373 70 50 CGIA Cc1cccc(-c2ccc(S(=O)(=O)F)cc2)c1 675064342 HBNWBHRDQUOZFW-UHFFFAOYSA-N 250.294 3.320 70 50 CGIA O=S(=O)(Cl)c1ccc2c(Cl)cccc2c1 72399598 MICVPVPQQNFKGU-UHFFFAOYSA-N 261.129 3.421 70 50 CGIA in-vitro O=C(Cc1ccc2c(c1)OCC2)Nc1ccc2[nH]ccc2c1 218075421 VRULUGCQMJOMKO-UHFFFAOYSA-N 292.338 3.284 70 50 CGIA biogenic CCOC1CCN(C(=O)c2ccc(SC)cc2)CC1 218226852 VIRGODJKRIYKEU-UHFFFAOYSA-N 279.405 3.050 70 50 CGIA CC(C)c1cc(=O)n(Cc2ncc(-c3ccccc3)o2)cn1 160735679 YQFSPGNLUCOCSA-UHFFFAOYSA-N 295.342 3.070 70 50 CGIA O=S(=O)(F)c1ccc(Oc2ccc(F)cc2)cc1 675066984 TXYYOCZGEWCFGS-UHFFFAOYSA-N 270.256 3.276 70 50 CGIA O=S(=O)(Cl)c1c(Cl)cc(F)cc1Cl 100518635 ICHYMVBIIFENJM-UHFFFAOYSA-N 263.504 3.060 70 50 CGIA Cc1c(S(=O)(=O)Cl)sc2ccc(F)cc12 95682141 ZPXXCKVUFYURAU-UHFFFAOYSA-N 264.730 3.276 70 50 CGIA O=S(=O)(Cl)c1sc(Cl)cc1Br 95707676 IJWGXKAPAGXFRO-UHFFFAOYSA-N 295.994 3.092 70 50 CGIA O=C(NCCn1ccc2c(Cl)cccc21)c1ccccn1 218243407 HYVXBRBKMAYJLK-UHFFFAOYSA-N 299.761 3.120 70 50 CGIA CC(C)C[C@H]1CC(=O)Oc2c1c(=O)oc1ccccc21 217658490 UNDINCYYLPXUOF-JTQLQIEISA-N 272.300 3.232 70 50 CGIA biogenic COc1ccccc1Oc1ccc(S(=O)(=O)Cl)cc1 95749464 DKNWPXFCLUKCQB-UHFFFAOYSA-N 298.747 3.415 70 50 CGIA c1ccc([C@H]2CCCN(CCn3ccnc3)CC2)cc1 159801234 GCLZOZYHHOZPMQ-KRWDZBQOSA-N 269.392 3.153 70 50 CGIA CC(C)(C)OC(=O)N1CC[C@H]2C[C@@]2([B-](F)(F)F)C1 725326704 OVLJXVJJIKXPMO-GZMMTYOYSA-N 264.076 3.235 70 50 CGIA Cc1nc(-c2cccc(S(=O)(=O)Cl)c2)cs1 59200538 ZZGWJBAJNLBBRB-UHFFFAOYSA-N 273.766 3.046 70 50 CGIA Cc1ccc(B(c2ccc(C)cc2)c2ccc(C)cc2)cc1 169821877 LEIHCYASDULBKZ-UHFFFAOYSA-N 284.211 3.128 70 50 CGIA O=S(=O)(Cl)c1ccc(Cl)cc1Br 100541684 GGZAVOFHWRLKLS-UHFFFAOYSA-N 289.965 3.030 70 50 CGIA Cc1[nH]ncc1CCCNCc1ccc(Cl)cc1F 160806505 WNPPWRKGCIHCGA-UHFFFAOYSA-N 281.762 3.233 70 50 CGIA Cc1cncc(CNC(=O)c2ccc(Cl)c(F)c2)c1 159470027 TUBFLZZYLDZHKC-UHFFFAOYSA-N 278.714 3.113 70 50 CGIA O=S(=O)(Oc1ccc2ccccc2c1)C(F)(F)F 86040970 MDWRQYBWVTXIIJ-UHFFFAOYSA-N 276.235 3.068 70 50 CGIA in-vitro O=S(=O)(Cl)Cc1ccc(Cl)c(Cl)c1 59681318 DRYGYFAFCNDLEJ-UHFFFAOYSA-N 259.541 3.062 70 50 CGIA in-vitro O=S(=O)(Cl)c1ccc(Br)cc1Cl 59796746 OECYEHWJPRPCOH-UHFFFAOYSA-N 289.965 3.030 70 50 CGIA in-vitro CC(C)[C@@H]1CC[C@@H](C)C=C1OS(=O)(=O)C(F)(F)F 101141830 NTXOGOFXRAURHA-BDAKNGLRSA-N 286.315 3.439 70 50 CGIA F[Si-](F)(c1ccccc1)(c1ccccc1)c1ccccc1 169747532 RGGRJHGGCWQIGN-UHFFFAOYSA-N 297.400 3.043 70 50 CGIA in-vitro CC[C@H]1C[C@@H](C)c2cc(S(=O)(=O)F)ccc2O1 958530705 RQLPTJPZACUPCM-BDAKNGLRSA-N 258.314 3.009 70 50 CGIA COc1ccc(B2Nc3cccc4cccc(c34)N2)cc1 169975106 WPAJPIWTDXMCKJ-UHFFFAOYSA-N 274.132 3.081 70 50 CGIA in-vitro O=C(Nc1ccc([B-](F)(F)F)cc1)OCc1ccccc1 169746104 UIBDALXXEGHOAM-UHFFFAOYSA-N 294.061 3.490 70 50 CGIA in-vitro O=S(=O)(F)c1ccc(C(F)(F)F)cc1Cl 238855475 SABFATYCTZFING-UHFFFAOYSA-N 262.611 3.017 70 50 CGIA COc1cc(C)c(S(=O)(=O)Cl)cc1C(C)C 59103759 DIDRZYFYDMMUJT-UHFFFAOYSA-N 262.758 3.055 70 50 CGIA Cc1ccc(NCc2ccc(OS(=O)(=O)F)cc2)cc1 1875385067 LYYONFLLXULWMX-UHFFFAOYSA-N 295.335 3.200 70 50 CGIA O=S(=O)(Cl)c1cccc2cccc(Cl)c12 100153490 WORJISAOMPPPTM-UHFFFAOYSA-N 261.129 3.421 70 50 CGIA CC[C@H](NC(=O)CCSC)c1nc(C)c(C)s1 218253359 DOZIQCGBINVAQC-JTQLQIEISA-N 272.439 3.080 70 50 CGIA O=S(=O)(F)c1ccc(-c2ccc(F)cc2)cc1 675064622 NHZVXRLGVXBVGZ-UHFFFAOYSA-N 254.257 3.151 70 50 CGIA COc1cccc(F)c1C(=O)NCc1cccc2[nH]ccc12 218755147 NKPLQLDRFDRRHM-UHFFFAOYSA-N 298.317 3.246 70 50 CGIA CC[C@@H](NC(=O)c1ccc(C)o1)c1c(C)noc1C 160156756 HGGHBXOJCQFCRY-LLVKDONJSA-N 262.309 3.074 70 50 CGIA CO[Si](Br)(c1ccccc1)C(C)(C)C 170156055 VFFLZSQFWJXUJJ-UHFFFAOYSA-N 273.246 3.177 70 50 CGIA in-vitro C[C@@H](NCCO)c1ccc(Oc2ccccc2)cc1 159704931 HNTVWMBREBQIPY-CYBMUJFWSA-N 257.333 3.122 70 50 CGIA CC(=O)N(C[Si](C)(F)F)[C@@H](C)c1ccccc1 195893710 UHPQXWPOEIJSAB-JTQLQIEISA-N 257.356 3.146 70 50 CGIA N#Cc1ccc(Oc2ccc(S(=O)(=O)F)cc2)cc1 675063157 KRZTZDUQGCCFHR-UHFFFAOYSA-N 277.276 3.009 70 50 CGIA CCOc1ccc(C(=O)N2CCC[C@H]2c2ccccn2)o1 217500967 KMXHSAKUHJIGOK-ZDUSSCGKSA-N 286.331 3.051 70 50 CGIA N[C@H]1CC[C@@H](C(=O)Nc2cccc(-c3ccccc3)c2)C1 216909782 VFGFQPKGODDMGE-CVEARBPZSA-N 280.371 3.420 70 50 CGIA COc1cc(C)c(C(C)C)cc1S(=O)(=O)Cl 100153410 UBIMBVGQPUWCRK-UHFFFAOYSA-N 262.758 3.055 70 50 CGIA in-vitro CC(=O)N(C[Si](C)(F)F)[C@H](C)c1ccccc1 195893715 UHPQXWPOEIJSAB-SNVBAGLBSA-N 257.356 3.146 70 50 CGIA C[C@H](c1ccc(Cl)c(Cl)c1)N(C)S(=O)(=O)F 1875374879 IGZGASTXHFGIEW-ZCFIWIBFSA-N 286.155 3.201 70 50 CGIA O=C(NCCn1ccc2c(Cl)cccc21)c1ccncc1 218216981 FLQKUZKJQAAQLY-UHFFFAOYSA-N 299.761 3.120 70 50 CGIA CCNc1cccc2c(S(=O)(=O)Cl)cccc12 95698112 MDDPWGITFUVITF-UHFFFAOYSA-N 269.753 3.199 70 50 CGIA CCn1cc(C2CCN(Cc3ccc(OC)cc3)CC2)cn1 160459921 IUWOETPFHGQBSS-UHFFFAOYSA-N 299.418 3.291 70 50 CGIA C1=C[C@H]([SiH](c2ccccc2)c2ccccc2)CCC1 169817492 AHRSESUBHOMUCD-SFHVURJKSA-N 264.444 3.138 70 50 CGIA O=S(=O)(Cl)c1ccc(Cl)c(Br)c1 100446348 WAKUMWHMHLMVPK-UHFFFAOYSA-N 289.965 3.030 70 50 CGIA O=S(=O)(Cl)C1c2ccccc2-c2ccccc21 22246894 USFBRRNXUMSLSM-UHFFFAOYSA-N 264.733 3.325 70 50 CGIA O=S(=O)(Cl)Cc1cc(Cl)ccc1Cl 100025180 DHIDMPXMRCSOHM-UHFFFAOYSA-N 259.541 3.062 70 50 CGIA FC(F)(F)c1nnc(NCC2CCSCC2)s1 160172986 VOUSIRVNRJQKQG-UHFFFAOYSA-N 283.344 3.112 70 50 CGIA CC(C)Oc1ccc(S(=O)(=O)Cl)cc1Cl 100573261 BWHSEDNQCICOBU-UHFFFAOYSA-N 269.149 3.055 70 50 CGIA in-vitro O=S(=O)(Cl)c1cc(Cl)ccc1Br 100168579 CVBKSMLXPDRKEO-UHFFFAOYSA-N 289.965 3.030 70 50 CGIA in-vitro COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)C(C)C 217778760 FMTAKZQDHMWOFM-HNNXBMFYSA-N 286.375 3.326 70 50 CGIA biogenic CCCn1c(C)c(S(=O)(=O)F)c2ccccc21 675067003 VBUNCFZIAVOLHA-UHFFFAOYSA-N 255.314 3.018 70 50 CGIA Oc1ccccc1C[C@H](Br)CBr 164873919 DMGRNMAKWPTXNA-QMMMGPOBSA-N 293.986 3.093 70 50 CGIA CCN(CC)/N=N/c1cc(C)ccc1S(=O)(=O)Cl 97944291 PDGZSZLMBJSDQC-BUHFOSPRSA-N 289.788 3.263 70 50 CGIA O=S(=O)(Cl)c1ccccc1-c1ccccc1 60120859 RENKNADFNRIRNZ-UHFFFAOYSA-N 252.722 3.281 70 50 CGIA in-vitro O=C(Cc1ccc(F)cc1F)N1C[C@@H]2CCC[C@H](C2)C1 217500683 JOTMQBFMTPBJLG-VXGBXAGGSA-N 279.330 3.156 70 50 CGIA CC[C@H](NC(=O)c1cccc(O)c1C)c1cccc(C)n1 218055397 YBVYRZZTCBSPBT-AWEZNQCLSA-N 284.359 3.285 70 50 CGIA Cc1ccc(CCC(=O)NCCCc2cccnc2)cc1C 218215610 SEMBTYXBWSFXMU-UHFFFAOYSA-N 296.414 3.380 70 50 CGIA Cc1nccc(CNC(=O)CC2CCC(C)(C)CC2)n1 159822782 LWKBYZYOTRYDHJ-UHFFFAOYSA-N 275.396 3.008 70 50 CGIA CC(C)(C)OC(=O)Nc1ccc([B-](F)(F)F)cc1 170009986 CKZUYXPTBWAZPV-UHFFFAOYSA-N 260.044 3.088 70 50 CGIA CCc1noc(C)c1CS(=O)(=O)c1ccc(C)cc1C 160343527 DJCFFRMYXNYRRZ-UHFFFAOYSA-N 293.388 3.136 70 50 CGIA CC(=O)c1ccc2c(c1O)[C@@H](c1ccccc1)CC(=O)O2 217766458 HIUTUMGESXTECA-CYBMUJFWSA-N 282.295 3.036 70 50 CGIA biogenic C[SiH](c1ccccc1)c1ccc(C[Si](C)(C)C)cc1 169817075 LXILHXPFJKXUNN-UHFFFAOYSA-N 284.551 3.078 70 50 CGIA CC(C)=CCN1CCC(NC[C@H]2CCO[C@@H]2C(C)C)CC1 160831763 WVXVMKRZEQWMRN-SJLPKXTDSA-N 294.483 3.068 70 50 CGIA O=[N+]([O-])c1cccc([B-](F)(F)F)c1OCc1ccccc1 606241616 HKPQRKFLLJGARV-UHFFFAOYSA-N 296.033 3.228 70 50 CGIA CC1=C(C(=O)N2CCC[C@H]2c2cccc(C)n2)CCCO1 159749510 KHAJILFAGFRYHU-INIZCTEOSA-N 286.375 3.138 70 50 CGIA O=S(=O)(Cl)c1ccc(OC(F)(F)F)cc1Cl 100502847 ABYJBWQNFREXPN-UHFFFAOYSA-N 295.065 3.166 70 50 CGIA CC(C)[C@H](NC(=O)c1ccco1)c1nc2ccccc2n1C 218355144 FURGIIHTYQDSDE-HNNXBMFYSA-N 297.358 3.293 70 50 CGIA CCOC(=O)c1ccc(-c2cccc(OC)c2)nc1C 159372600 LIQOUWJYSRMBSZ-UHFFFAOYSA-N 271.316 3.242 70 50 CGIA O=S(=O)(Cl)c1ccc(-c2ccccc2)s1 100007162 NHRKTBLHJKMFTP-UHFFFAOYSA-N 258.751 3.343 70 50 CGIA O=S(=O)(F)c1ccc2c(c1)oc1ccccc12 675066367 IVQXBYLDZBKDAG-UHFFFAOYSA-N 250.250 3.244 70 50 CGIA COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)C(C)C 217778828 FMTAKZQDHMWOFM-OAHLLOKOSA-N 286.375 3.326 70 50 CGIA biogenic Cl[Si](Cl)(Cl)CCCBr 169875917 UUNGBOQAZQUJMZ-UHFFFAOYSA-N 256.430 3.427 70 50 CGIA O=S(=O)(Cl)c1cccc(-c2ccc(F)cc2)c1 100429243 BBTKFJNSQWKALJ-UHFFFAOYSA-N 270.712 3.420 70 50 CGIA CC[C@@H]1C[C@H](C)c2cc(S(=O)(=O)F)ccc2O1 958530706 RQLPTJPZACUPCM-DTWKUNHWSA-N 258.314 3.009 70 50 CGIA CCCc1cc(C(=O)N(C)Cc2nccs2)cs1 217826296 DYNICBVNCUBWPL-UHFFFAOYSA-N 280.418 3.429 70 50 CGIA CSc1ccc(C(=O)N(C)CC2(CO)CCCC2)cc1 218237314 ZMBQSGFZHMXLEL-UHFFFAOYSA-N 293.432 3.033 70 50 CGIA O=S(=O)(Cl)c1cc(Cl)c(F)cc1Cl 100553596 ZHXPUXCOUKXSTO-UHFFFAOYSA-N 263.504 3.060 70 50 CGIA F[B-](F)(F)c1cncc2cc(C(F)(F)F)ccc12 1848350331 TZETYRAILWWFEC-UHFFFAOYSA-N 263.957 3.308 70 50 CGIA COc1ccc(Oc2cccc(S(=O)(=O)Cl)c2)cc1 100006130 AJOQSSVXIOABPK-UHFFFAOYSA-N 298.747 3.415 70 50 CGIA Cc1ccc2ncccc2c1CN1CCN(C(C)C)[C@@H](C)C1 217597465 KJOWMQMAGFFDFY-INIZCTEOSA-N 297.446 3.458 70 50 CGIA O=S(=O)(Cl)Cc1cc(-c2cc3ccccc3o2)on1 725252495 LORAULCBAFUHAV-UHFFFAOYSA-N 297.719 3.156 70 50 CGIA O=S(=O)(Cl)c1cccc2c(Cl)cccc12 72399597 ZELWQFZGPMGHRI-UHFFFAOYSA-N 261.129 3.421 70 50 CGIA in-vitro F[B-](F)(F)c1ccc(OCc2ccccc2)cc1 169746109 ORXMFMHJJFBTSK-UHFFFAOYSA-N 251.036 3.320 70 50 CGIA in-vitro O=S(=O)(Cl)c1c(Cl)nc2ccccc2c1Cl 380234325 MSYCNXSSJNTTDT-UHFFFAOYSA-N 296.562 3.469 70 50 CGIA CC1=C(C(=O)N2CCC[C@@H]2c2cccc(C)n2)CCCO1 159749652 KHAJILFAGFRYHU-MRXNPFEDSA-N 286.375 3.138 70 50 CGIA O=S(=O)(Cl)c1cc(Br)ccc1Cl 100011137 QWVGJTXXYAIKIB-UHFFFAOYSA-N 289.965 3.030 70 50 CGIA in-vitro COc1c(Br)cc(Cl)c(F)c1F 218273018 YFPALZDMYFYAFT-UHFFFAOYSA-N 257.461 3.389 70 50 CGIA Cc1ccc(CNC(=O)[C@H](C)n2ccnc2C(C)C)s1 218283407 ZGQBZELZVTWAOW-LBPRGKRZSA-N 291.420 3.254 70 50 CGIA O=S(=O)(Cl)N(C1CCCCC1)C1CCCCC1 100552878 VWNQGADNXRISFS-UHFFFAOYSA-N 279.833 3.437 70 50 CGIA CC(C)(C)OC(=O)N1CC[C@]2([B-](F)(F)F)C[C@@H]2C1 725239067 BNYFOAVYOPULSD-KCJUWKMLSA-N 264.076 3.235 70 50 CGIA COC[C@@H]1CCCN(C(=O)c2cc3ccccc3cc2O)C1 217059145 YYRULRUQNIGKAF-CYBMUJFWSA-N 299.370 3.044 70 50 CGIA Cc1ccc(B2Nc3cccc4cccc(c34)N2)cc1 169975102 VPFSXFHFLDYAKY-UHFFFAOYSA-N 258.133 3.381 70 50 CGIA in-vitro Nc1ncc(Br)c2ccc(Cl)cc12 218274708 FYXVPSZQTSTDMO-UHFFFAOYSA-N 257.518 3.233 70 50 CGIA Cl[Si](Cl)(Cl)[Si](Cl)(Cl)Cl 248026180 LXEXBJXDGVGRAR-UHFFFAOYSA-N 268.890 3.375 70 50 CGIA in-vitro O=S(=O)(F)[C@@H]1CC2c3ccccc3C1c1ccccc12 100836657 OHCKSDBGKUIVAW-HWOWSKLDSA-N 288.343 3.335 70 50 CGIA Cc1cc(-c2ccc(Cn3ccnc3)cn2)ccc1O 217525900 OOOBOQCPESIHHC-UHFFFAOYSA-N 265.316 3.007 70 50 CGIA F[B-](F)(F)/C(CCl)=C(\Br)CCl 200976681 PDIVNBCCRXDNJZ-ARJAWSKDSA-N 270.692 3.500 70 50 CGIA O=[N+]([O-])c1ccc(-c2ccc(S(=O)(=O)Cl)cc2)cc1 95697862 ITVYADZNMWHYOW-UHFFFAOYSA-N 297.719 3.189 70 50 CGIA CC(C)C[C@@H]1CC(=O)Oc2c1c(=O)oc1ccccc21 217658409 UNDINCYYLPXUOF-SNVBAGLBSA-N 272.300 3.232 70 50 CGIA biogenic C[C@]1(c2ccccc2)CN(C(=O)Nc2ccccc2)CCO1 160191081 FVMUQXZRZMYKKH-GOSISDBHSA-N 296.370 3.466 70 50 CGIA O=S(=O)(Cl)c1cccc(OCc2ccccc2)c1 59283639 SCIWWDGQCBSSMB-UHFFFAOYSA-N 282.748 3.193 70 50 CGIA Cc1ccc(CCNC(=O)c2cc3ccccc3n2C)o1 218321962 XAVRVNPDEZREEQ-UHFFFAOYSA-N 282.343 3.052 70 50 CGIA O=S(=O)(Cl)c1ccc(Cl)c(Cl)c1F 263624142 NUAHVTMTOIMPJM-UHFFFAOYSA-N 263.504 3.060 70 50 CGIA CCN(Cc1ccncc1)Cc1cc(C(C)C)no1 217045939 DVTHIBWEKSUELS-UHFFFAOYSA-N 259.353 3.215 70 50 CGIA O=S(=O)(F)c1c(Cl)cc(Cl)cc1Cl 138846868 YIYMNRBLYKOKQM-UHFFFAOYSA-N 263.504 3.305 70 50 CGIA O=S(=O)(Cl)Cc1cccc(Cl)c1Cl 100025174 UGTSPJDUUYLVMM-UHFFFAOYSA-N 259.541 3.062 70 50 CGIA CC(C)(C)O[Si](Cl)(c1ccccc1)c1ccccc1 169807333 MSZDOMFSWXWKTK-UHFFFAOYSA-N 290.866 3.297 70 50 CGIA CN(CCCC1CCCC1)c1cc(C2CC(O)C2)ncn1 218762294 SEKMYFWIMQINHH-UHFFFAOYSA-N 289.423 3.122 70 50 CGIA Cc1cc(C)c(B2c3ccccc3Cc3ccccc32)c(C)c1 169807453 MXKISKWLZYHBDE-UHFFFAOYSA-N 296.222 3.032 70 50 CGIA CCOc1ccc(S(=O)(=O)Cl)c2ccccc12 100048751 UMUUBVDEZWLVED-UHFFFAOYSA-N 270.737 3.166 70 50 CGIA C[C@H](c1ccncn1)N(C)C(=O)c1ccc(Cl)s1 218276075 QWGHDGOGHAHMAL-MRVPVSSYSA-N 281.768 3.025 70 50 CGIA O=C(N[C@@H]1COC2(CCCC2)C1)c1cnc2ccccc2c1 218419656 UNCKKBRDORBMOX-HNNXBMFYSA-N 296.370 3.066 70 50 CGIA CCCCB(CCCC)OS(=O)(=O)C(F)(F)F 169743098 FAVAVMFXAKZTMV-UHFFFAOYSA-N 274.113 3.444 70 50 CGIA O=S(=O)(Cl)c1cc(F)c(Cl)c(Cl)c1 263623954 MDIHUIHNXWSHAD-UHFFFAOYSA-N 263.504 3.060 70 50 CGIA O=C(NCC[C@@H]1CCCCO1)c1cc(F)cc(Cl)c1 217134496 XXGQLAZNXWXXGI-ZDUSSCGKSA-N 285.746 3.168 70 50 CGIA Cc1ccc(CNC(=O)c2c(C)n[nH]c2C(C)C)c(C)c1 159778939 KUMVKXLCNDVHKT-UHFFFAOYSA-N 285.391 3.388 70 50 CGIA O=S(=O)(Cl)c1ccc(OC(F)(F)F)c(Cl)c1 95671151 LKVVZQXNPJBJDU-UHFFFAOYSA-N 295.065 3.166 70 50 CGIA in-vitro Cc1cc(Cl)cc(S(=O)(=O)Cl)c1Cl 263624416 QGNZFAUFIDRYRD-UHFFFAOYSA-N 259.541 3.229 70 50 CGIA c1ccc(OCCn2nc(C3CC3)nc2C2CC2)cc1 161474110 YDRPIRQUCHAROP-UHFFFAOYSA-N 269.348 3.112 70 50 CGIA CCOc1ccc(C(=O)NCc2cc3ccccc3[nH]2)o1 217720871 RTJXBDQZNGCYOC-UHFFFAOYSA-N 284.315 3.090 70 50 CGIA Cc1noc2nc3c(c(C(=O)NC4CCCCC4)c12)CCC3 218300283 DSYPIRKHMWFHHH-UHFFFAOYSA-N 299.374 3.082 70 50 CGIA O=C(Cc1ccccn1)N1CC[C@@H](C2CCCCC2)C1 217681806 KZSPMJFBRVEBRP-OAHLLOKOSA-N 272.392 3.053 70 50 CGIA Oc1ccccc1C[C@@H](Br)CBr 164873804 DMGRNMAKWPTXNA-MRVPVSSYSA-N 293.986 3.093 70 50 CGIA CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@]2([B-](F)(F)F)C1 725326707 OVLJXVJJIKXPMO-LDYMZIIASA-N 264.076 3.235 70 50 CGIA F[B-](F)(F)c1ccc(CNc2ccccc2)cc1 169746068 AVUGWPITWKEBDD-UHFFFAOYSA-N 250.052 3.353 70 50 CGIA CC(C)(C)OC(=O)N1CC[C@@]2([B-](F)(F)F)C[C@@H]2C1 725239069 BNYFOAVYOPULSD-LDYMZIIASA-N 264.076 3.235 70 50 CGIA C[C@@H]1CCCN([C@H](C)C(=O)c2c[nH]c3ccccc23)C1 217448132 IDYBAJHUOOKQIE-CHWSQXEVSA-N 270.376 3.471 70 50 CGIA CC1CCN(c2nccc([B-](F)(F)F)c2Cl)CC1 230549941 ZAQCZBVQLOZMSP-UHFFFAOYSA-N 277.506 3.026 70 50 CGIA F[B-](F)(F)/C=C(\Br)CBr 197169949 ANWWLESOHIFZQS-IWQZZHSRSA-N 266.671 3.047 70 50 CGIA in-vitro COc1ccc(Oc2ccc(S(=O)(=O)Cl)cc2)cc1 100005049 HDIKIJUPJYLXDH-UHFFFAOYSA-N 298.747 3.415 70 50 CGIA O=S(=O)(F)c1ccc(Oc2ccccc2)cc1 105430285 PDXOBGGAZNQARB-UHFFFAOYSA-N 252.266 3.137 70 50 CGIA C[C@@H](c1ccncn1)N(C)C(=O)c1ccc(Cl)s1 218276001 QWGHDGOGHAHMAL-QMMMGPOBSA-N 281.768 3.025 70 50 CGIA O=S(=O)(Cl)Cc1cc(Cl)cc(Cl)c1 100006285 GZMJRPMBVICCFL-UHFFFAOYSA-N 259.541 3.062 70 50 CGIA O=C1C[C@@H](C2CCCCC2)c2cc3c(cc2O1)OCO3 217674806 HLDMNXGVNMYMCK-NSHDSACASA-N 274.316 3.388 70 50 CGIA biogenic CCCC[C@@H]1CCCN1Cc1cc(C(C)=O)cn1C 217946380 NOCIXUDWWOOYLC-OAHLLOKOSA-N 262.397 3.382 70 50 CGIA Cc1c(C)c(S(=O)(=O)Cl)c(C)c2c1OC(C)(C)C2 100013630 HLJKUZUILACRPQ-UHFFFAOYSA-N 288.796 3.253 70 50 CGIA in-vitro O=[N+]([O-])c1cc([B-](F)(F)F)ccc1Oc1ccccc1 170018743 STQZSAWHEYDPGQ-UHFFFAOYSA-N 282.006 3.442 70 50 CGIA CC(C)(C)OC(=O)n1c([B-](F)(F)F)cc2ccccc21 169747083 LRDAFFPMQTZPCG-UHFFFAOYSA-N 284.066 3.479 70 50 CGIA CC[C@H](NC(=O)c1oc(C)cc1C)c1c(C)noc1C 160207890 WROAZBANCQMOHP-LBPRGKRZSA-N 276.336 3.382 70 50 CGIA O=C1C[C@H](C2CCCCC2)c2cc3c(cc2O1)OCO3 217674895 HLDMNXGVNMYMCK-LLVKDONJSA-N 274.316 3.388 70 50 CGIA biogenic COc1cccc(F)c1C(=O)N[C@@H](C)c1ncccc1C 218752137 JSOBVVKVMCNTLL-NSHDSACASA-N 288.322 3.029 70 50 CGIA CC[C@@H](NC(=O)c1cccc2cc(C)oc12)[C@H]1C[C@H](O)C1 218746396 VDNSIXMFGRMLQW-VNHYZAJKSA-N 287.359 3.021 70 50 CGIA Cl[Si](Cl)(Cl)O[Si](Cl)(Cl)Cl 248081878 QHAHOIWVGZZELU-UHFFFAOYSA-N 284.889 3.307 70 50 CGIA CC(C)c1csc(C(=O)N(C)[C@H](C)c2ccon2)n1 217623914 WKVOKTQZNNTWCQ-SECBINFHSA-N 279.365 3.088 70 50 CGIA O=S(=O)(Oc1cccc2ccccc12)C(F)(F)F 86040968 WQWUQDVFRYMMCY-UHFFFAOYSA-N 276.235 3.068 70 50 CGIA Cc1ccc2oc(CN3CCN(C)[C@@H](C)C3)c(C)c2c1 217586503 CLGCXEHNQYUHQE-ZDUSSCGKSA-N 272.392 3.186 70 50 CGIA C[C@H](NCCO)c1ccc(Oc2ccccc2)cc1 159704804 HNTVWMBREBQIPY-ZDUSSCGKSA-N 257.333 3.122 70 50 CGIA N#Cc1sc2cc(Cl)ccc2c1S(=O)(=O)F 725344103 GFUIIOHIQVTKFT-UHFFFAOYSA-N 275.713 3.085 70 50 CGIA Cc1nc(NC(=O)[C@@H](C)c2cccs2)cc(C2CC2)n1 160090096 CCVVGHDCQVDDGX-VIFPVBQESA-N 287.388 3.466 70 50 CGIA COc1ccc(F)cc1C(=O)N1C[C@@H]2CCC[C@H](C2)C1 218486581 ALBCATKPHQSCJX-VXGBXAGGSA-N 277.339 3.097 70 50 CGIA O=S(=O)(Cl)c1ccc(Oc2ccccc2)cc1 95749457 QIZPONOMFWAPRR-UHFFFAOYSA-N 268.721 3.406 70 50 CGIA in-vitro Cc1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@@]3(C)C2=O)c1C 217397397 OZJVMIJHEXQGSW-FHKFTOANSA-N 281.355 3.005 70 50 CGIA CCN(C[C@@H]1CCCCO1)C(=O)c1ccc2ncccc2c1 218435517 PWUIODHYRZYMIA-INIZCTEOSA-N 298.386 3.266 70 50 CGIA COC(=O)c1cccc(OCc2ccccc2F)c1 216798547 CGGMSVLMMURPSP-UHFFFAOYSA-N 260.264 3.191 70 50 CGIA O=C(NC1CC1)c1sc(Cl)nc1-c1ccccc1 218507405 UGTGFHILUHMOPD-UHFFFAOYSA-N 278.764 3.356 70 50 CGIA Cc1ccc(C)c(CC(=O)N(C)CC[C@H]2CCCCO2)c1 217778407 AYNASUJXGTWEPF-QGZVFWFLSA-N 289.419 3.264 70 50 CGIA O=S(=O)(Cl)Cc1ccc(Cl)cc1Cl 95698402 SNLHLLYEHFIELA-UHFFFAOYSA-N 259.541 3.062 70 50 CGIA in-vitro Cc1ccc(CNC(=O)[C@@H](C)n2ccnc2C(C)C)s1 218283318 ZGQBZELZVTWAOW-GFCCVEGCSA-N 291.420 3.254 70 50 CGIA C=C(C)C(=O)OCCC[Si](Cl)(Cl)Cl 170158124 DOGMJCPBZJUYGB-UHFFFAOYSA-N 261.608 3.151 70 50 CGIA O=S(=O)(Cl)c1ccc(OCc2ccccc2)cc1 100013525 BRTDEKQMIKCPKH-UHFFFAOYSA-N 282.748 3.193 70 50 CGIA in-vitro CC1(NC(=O)NCCc2ccccc2Cl)CCC1 160224373 MUIWDTHPJCKTFY-UHFFFAOYSA-N 266.772 3.124 70 50 CGIA O=C(N[C@@H]1COC2(CCCCC2)C1)c1ccc2cc[nH]c2c1 218417823 RFPRYYAAABXKQQ-HNNXBMFYSA-N 298.386 3.390 70 50 CGIA CCc1nccc(CN(C)Cc2cccc(SC)c2)n1 217180536 AEZVULLNDQFWJO-UHFFFAOYSA-N 287.432 3.393 70 50 CGIA C=CC[Si]1(Cl)O[C@@H](c2ccccc2)[C@H](C)N1C 170161738 XHCRAANIMMYPDV-APBZJUGRSA-N 267.832 3.442 70 50 CGIA CCCC[B-]1(CCCC)N(C)C(=O)Nc2cccc[n+]21 195809848 WEZOSMRUDXBETR-UHFFFAOYSA-N 275.205 3.342 70 50 CGIA CC[C@H](NC(=O)c1cccc2cc(C)oc12)[C@H]1C[C@H](O)C1 218746448 VDNSIXMFGRMLQW-GUTXKFCHSA-N 287.359 3.021 70 50 CGIA C[SiH](c1ccccc1)c1cccc(-c2ccccc2)c1 169817093 SMMURDAITYGGTM-UHFFFAOYSA-N 274.439 3.325 70 50 CGIA Cc1ccc(C(=O)N(C)[C@@H](C)Cc2ccsc2)cc1N 161462937 AGQQWAXUXLCYBE-LBPRGKRZSA-N 288.416 3.342 70 50 CGIA CCCC(CCC)C(=O)N1CCC[C@H](c2ccncn2)C1 218706990 FSFVFFAANOTYHB-HNNXBMFYSA-N 289.423 3.399 70 50 CGIA Cc1ccccc1[C@H]1CCCN(C(=O)Cc2ccccn2)C1 217109502 GBSAAPUHZOHFDC-INIZCTEOSA-N 294.398 3.339 70 50 CGIA Cc1cc(C(=O)N2CCC[C@@H]2c2ccccn2)c(C)n1C 218243885 JALKWYCBXCBJDS-MRXNPFEDSA-N 283.375 3.014 70 50 CGIA Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)C[C@H](O)C(C)C)o1 161503508 ZIEYUBSCVLYHPA-QEJZJMRPSA-N 293.407 3.295 70 50 CGIA O=S(=O)(Cl)c1ccc(-c2ccccc2)cc1 100004912 ALBQXDHCMLLQMB-UHFFFAOYSA-N 252.722 3.281 70 50 CGIA CN(Cc1ccon1)C(=O)CCCc1c[nH]c2ccccc12 217465537 NZCHAVXOJGRHCS-UHFFFAOYSA-N 297.358 3.137 70 50 CGIA CC(C)(C)OC(=O)N1CC[C@]2([B-](F)(F)F)C[C@H]2C1 725239068 BNYFOAVYOPULSD-KWQFWETISA-N 264.076 3.235 70 50 CGIA O=S(=O)(F)c1cccc(Sc2ccccc2)c1 675066950 ZYFJQCYAGYJGML-UHFFFAOYSA-N 268.334 3.496 70 50 CGIA CC[C@H]1C[C@H](C)c2cc(S(=O)(=O)F)ccc2O1 958530707 RQLPTJPZACUPCM-IUCAKERBSA-N 258.314 3.009 70 50 CGIA O=C(N[C@H]1COC2(CCCC2)C1)c1cnc2ccccc2c1 218419727 UNCKKBRDORBMOX-OAHLLOKOSA-N 296.370 3.066 70 50 CGIA O=S(=O)(Cl)c1c(F)cc(Cl)cc1Cl 100518644 AJGXVVOIJOIUFP-UHFFFAOYSA-N 263.504 3.060 70 50 CGIA CO[C@@H]1CCN(C(=O)c2ccccc2-c2ccc(F)cc2)C1 218344936 RLFXDWHIXBWMHJ-OAHLLOKOSA-N 299.345 3.354 70 50 CGIA CCCCOc1ccc(CN2C[C@@H]3CC[C@H](C2)[C@@H]3O)cc1 217697774 VEWLHKOYWBCRMH-VQFNDLOPSA-N 289.419 3.068 70 50 CGIA Cc1ccccc1[C@@H]1CCCN(C(=O)Cc2ccccn2)C1 217109486 GBSAAPUHZOHFDC-MRXNPFEDSA-N 294.398 3.339 70 50 CGIA Cc1c(S(=O)(=O)Cl)sc2ccc(C#N)cc12 100453630 WPKYNNLMCXMKLE-UHFFFAOYSA-N 271.750 3.009 70 50 CGIA O=S(=O)(F)[C@H]1CC2c3ccccc3C1c1ccccc12 100836655 OHCKSDBGKUIVAW-PCKAHOCUSA-N 288.343 3.335 70 50 CGIA O=S(=O)(Cl)c1ccc(Cl)c(C(F)(F)F)c1 95676274 SSULGNXFUGLULI-UHFFFAOYSA-N 279.066 3.286 70 50 CGIA in-vitro O=S(=O)(F)CC[C@H](c1ccccc1)C(F)(F)F 1772718025 PWQIRBGLXOHTTR-SECBINFHSA-N 270.247 3.022 70 50 CGIA F[B-](F)(F)c1ccccc1OCc1ccccc1 169746151 TVKOPDPSILLWHY-UHFFFAOYSA-N 251.036 3.320 70 50 CGIA in-vitro C[C@H](c1ccc(Cl)cc1Cl)N(C)S(=O)(=O)F 1875373804 OZNPPKWMZAKPLX-ZCFIWIBFSA-N 286.155 3.201 70 50 CGIA Fc1cccc(OCCn2nc(C3CC3)nc2C2CC2)c1 161453396 JGLZYIOCOMVTMS-UHFFFAOYSA-N 287.338 3.251 70 50 CGIA Nc1nnc(SCc2ccc(C(F)(F)F)o2)s1 218707810 PUAHPRLSWLGTSI-UHFFFAOYSA-N 281.284 3.024 70 50 CGIA CC(C)c1cc(CN(C)CCN(C)C2CCCC2)on1 218660117 RYUBCONHUDCMDZ-UHFFFAOYSA-N 279.428 3.104 70 50 CGIA N#Cc1ccc([B-](F)(F)F)cc1OCc1ccccc1 169808938 UELBXPJUJDFQAK-UHFFFAOYSA-N 276.046 3.192 70 50 CGIA O=S(=O)(Cl)c1cc(Cl)c(Cl)cc1F 95682153 ASIHENVNFXQLOH-UHFFFAOYSA-N 263.504 3.060 70 50 CGIA in-vitro C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)S(=O)(=O)F 1875374878 IGZGASTXHFGIEW-LURJTMIESA-N 286.155 3.201 70 50 CGIA CC(C)(C)OC(=O)N1CC[C@H]2C[C@]2([B-](F)(F)F)C1 725326706 OVLJXVJJIKXPMO-KWQFWETISA-N 264.076 3.235 70 50 CGIA COc1ccc(-c2ccc(S(=O)(=O)Cl)cc2)cc1 95749459 AJWXJCPSCXFPJJ-UHFFFAOYSA-N 282.748 3.290 70 50 CGIA CN(C)C[C@H]1[C@@H]2CN(Cc3cccc(-c4ccco4)c3)C[C@H]12 217413630 NHANUSYJQVSPBQ-NNZMDNLPSA-N 296.414 3.186 70 50 CGIA COc1ccc(-c2ccc([B-](F)(F)F)cc2)cc1 169998106 QRCNQRJJPWAQJP-UHFFFAOYSA-N 251.036 3.417 70 50 CGIA O=C(Cc1ccsc1)N1CC[C@@H]1c1ccc(F)cc1 218400553 GEQZICOAZIBNBL-CQSZACIVSA-N 275.348 3.403 70 50 CGIA O=S(=O)(Cl)c1cc(C(F)(F)F)ccc1Cl 95713596 ZEYKLMDPUOVUCR-UHFFFAOYSA-N 279.066 3.286 70 50 CGIA in-vitro c1ccc([SiH](c2ccccc2)C2CCCCC2)cc1 169817496 RFRKHQYSHYFYGE-UHFFFAOYSA-N 266.460 3.362 70 50 CGIA CC[C@@H]1C[C@@H](C)c2cc(S(=O)(=O)F)ccc2O1 958530710 RQLPTJPZACUPCM-RKDXNWHRSA-N 258.314 3.009 70 50 CGIA N#Cc1sc2cc(Cl)ccc2c1S(=O)(=O)Cl 725344429 SPBHZDURFAUGGX-UHFFFAOYSA-N 292.168 3.354 70 50 CGIA Cc1ccc(-c2ccc(S(=O)(=O)F)cc2)cc1 103709921 SRUDIGLPGZXHEO-UHFFFAOYSA-N 250.294 3.320 70 50 CGIA O=C(NCc1ccco1)c1cc(-n2cccc2)ccc1F 218507819 DXCJFCGUQZHFJM-UHFFFAOYSA-N 284.290 3.139 70 50 CGIA COCc1cccc(CNCc2cccc3c2NCC3)c1 159385193 PFIQQQWHUNVAFR-UHFFFAOYSA-N 282.387 3.091 70 50 CGIA O=S(=O)(Cl)c1c(F)c(Cl)cc(F)c1Cl 100542359 HJYUAVCAAJEUFH-UHFFFAOYSA-N 281.494 3.199 70 50 CGIA CCc1n[nH]c(-c2ccccc2NC(=O)C2CCCC2)n1 160982291 CMWIUCFRASQFQG-UHFFFAOYSA-N 284.363 3.163 70 50 CGIA COc1ccc(Oc2ccc(S(=O)(=O)F)cc2)cc1 675063167 LHCSECFJNZJEDY-UHFFFAOYSA-N 282.292 3.146 70 50 CGIA C1=C[C@@H]([SiH](c2ccccc2)c2ccccc2)CCC1 169817493 AHRSESUBHOMUCD-GOSISDBHSA-N 264.444 3.138 70 50 CGIA CC(C)c1csc(C(=O)N(C)[C@@H](C)c2ccon2)n1 217623835 WKVOKTQZNNTWCQ-VIFPVBQESA-N 279.365 3.088 70 50 CGIA Cc1nc(CC(=O)N2CCCCCCC2)c(C)s1 161223757 RGOJAEISCCFLSC-UHFFFAOYSA-N 266.410 3.095 70 50 CGIA Cc1ccc(CNn2cc(-c3ccccc3)nc2N)cc1 216961924 CBFOGZNSSXSKSW-UHFFFAOYSA-N 278.359 3.184 70 50 CGIA F[B-](F)(F)c1cccc(OCc2ccccc2)c1 169746134 LIZUOAOBQMXHMN-UHFFFAOYSA-N 251.036 3.320 70 50 CGIA in-vitro