smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1cc(S(=O)(=O)Cl)ccc1Cl 95698284 WEPYREBDJIVOHD-UHFFFAOYSA-N 225.096 2.576 70 50 BFIA O=S(=O)(F)c1ccc(Cl)cc1Cl 97972967 CMKPMVNTHXKTRR-UHFFFAOYSA-N 229.059 2.652 70 50 BFIA O=S(=O)(Cl)c1cccc2ccccc12 60287460 DASJFYAPNPUBGG-UHFFFAOYSA-N 226.684 2.767 70 50 BFIA in-vitro Cc1n[nH]c(C)c1NC(=O)[C@@H]1CCC[C@@H](C)C1 160795693 MGYWAPUQOAYPGE-LDYMZIIASA-N 235.331 2.791 70 50 BFIA F[B-](F)(F)c1cc2ccccc2s1 170163031 LZPXHRODUPXYPG-UHFFFAOYSA-N 201.001 2.956 70 50 BFIA in-vitro Cc1cc(S(=O)(=O)Cl)c(C)cc1Cl 100020816 JBYZPUBAISWVDI-UHFFFAOYSA-N 239.123 2.884 70 50 BFIA O=S(=O)(Cl)c1cc(F)c(F)cc1Cl 95682186 NITODZKOCXPBBS-UHFFFAOYSA-N 247.049 2.546 70 50 BFIA C[Si](C)(Cl)O[Si](C)(C)Cl 169746879 DMEXFOUCEOWRGD-UHFFFAOYSA-N 203.217 2.884 70 50 BFIA in-vitro CC1(C)C=C(OS(=O)(=O)C(F)(F)F)CC1 101054709 HLOWGHRLNBQSDY-UHFFFAOYSA-N 244.234 2.557 70 50 BFIA Cc1ccc(NC(=O)N2CC[C@H](C)[C@H]2C)cn1 161430627 ZXFRKICBEYPCGQ-GXSJLCMTSA-N 233.315 2.652 70 50 BFIA CCc1ncnc(NCc2ccsc2)c1F 217972367 UWMDXJRAPZJTRB-UHFFFAOYSA-N 237.303 2.852 70 50 BFIA O=S(=O)(F)/C=C/c1ccc(Cl)cc1 307272677 UVUNWXQELONMGK-AATRIKPKSA-N 220.652 2.610 70 50 BFIA O=S(=O)(F)Oc1cccc(Cl)c1Cl 1875390007 HSUNXUSFEYZQGF-UHFFFAOYSA-N 245.058 2.587 70 50 BFIA O=S(=O)(F)c1ccc(F)c(C(F)(F)F)c1 253388050 ATLYFJBHIWKYDC-UHFFFAOYSA-N 246.156 2.503 70 50 BFIA CC(C)(C)[SiH](c1ccccc1)c1ccccc1 201139222 VTORJPDWMOIOIQ-UHFFFAOYSA-N 240.422 2.828 70 50 BFIA in-vitro Cc1ccc(F)c(NC(=O)N2CCCC2)c1F 160741159 KGKMVHNSJRKUMY-UHFFFAOYSA-N 240.253 2.901 70 50 BFIA O=C(CCCCCCl)[B-](F)(F)F 685965951 MLHYHQNBZWZMPM-UHFFFAOYSA-N 201.404 2.741 70 50 BFIA C[SiH](C)O[Si](C)(C)O[Si](C)(C)C 169747573 MWYMHZINPCTWSB-UHFFFAOYSA-N 222.509 2.540 70 50 BFIA Cc1cccc(C[SiH](C)c2ccccc2)c1 169817062 RLHNKJXERYBPJL-UHFFFAOYSA-N 226.395 2.841 70 50 BFIA F[B-](F)(F)COCCOCc1ccccc1 228897505 BISNGTJYRZXONV-UHFFFAOYSA-N 233.018 2.606 70 50 BFIA CCn1c(C)c(S(=O)(=O)F)c2ccccc21 675065500 HZZOJFMSYCVCNV-UHFFFAOYSA-N 241.287 2.628 70 50 BFIA O=S(=O)(F)c1ccc(F)cc1C(F)(F)F 238534418 RMYVUHQPKXMVAJ-UHFFFAOYSA-N 246.156 2.503 70 50 BFIA O=S(=O)(Cl)c1ccccc1C(F)(F)F 59796737 ZIZGWNOAHUCACM-UHFFFAOYSA-N 244.621 2.633 70 50 BFIA Fc1cc(C(F)(F)F)ccc1[B-](F)(F)F 169806272 ZGRKYGWPVXHPGV-UHFFFAOYSA-N 230.899 2.899 70 50 BFIA in-vitro F[B-](F)(F)c1ccnc(Cl)c1C(F)(F)F 215867623 ZVDTXXCCKZPARY-UHFFFAOYSA-N 248.342 2.808 70 50 BFIA F[B-](F)(F)c1ccc(Br)s1 169981910 ZNHKLJNMECWWBD-UHFFFAOYSA-N 229.837 2.565 70 50 BFIA in-vitro O=S(=O)(F)c1csc2ccccc12 238853719 KLKDDODGLRHGOU-UHFFFAOYSA-N 216.258 2.560 70 50 BFIA Cc1cc(C)cc([C@H](C)S(=O)(=O)F)c1 757179206 PAQZFEAXCMAZBT-VIFPVBQESA-N 216.277 2.664 70 50 BFIA O=C(NCC[B-](F)(F)F)OCc1ccccc1 169956676 PVUKOTCBJZGDHR-UHFFFAOYSA-N 246.017 2.760 70 50 BFIA Cc1cc(C)c(S(=O)(=O)Cl)c(C)c1 95736271 PVJZBZSCGJAWNG-UHFFFAOYSA-N 218.705 2.539 70 50 BFIA in-vitro CC(C)Cc1ccc([B-](F)(F)F)cc1 169746060 HDCTUBZLOQSDRA-UHFFFAOYSA-N 201.020 2.940 70 50 BFIA in-vitro CCCCOc1ccc([B-](F)(F)F)cc1 169746111 VSONHRYAADHDNA-UHFFFAOYSA-N 217.019 2.920 70 50 BFIA c1cc[n+]([B-]23CC4CC(CC(C4)C2)C3)cc1 195753541 IERMXJWLPVXHIU-UHFFFAOYSA-N 213.133 2.827 70 50 BFIA CCn1c(=N)sc2cc(SC)ccc21 217431195 CNVOQRHAAQWBFO-UHFFFAOYSA-N 224.354 2.924 70 50 BFIA F[B-](F)(F)c1cccc(C(F)(F)F)c1 169965500 PECDJRZUTYAPEH-UHFFFAOYSA-N 212.909 2.760 70 50 BFIA in-vitro F[B-](F)(F)c1ccc(C(F)(F)F)cc1 169745011 PCXRXMMGNFIFCB-UHFFFAOYSA-N 212.909 2.760 70 50 BFIA in-vitro F[B-](F)(F)c1ccc(OC(F)(F)F)cc1 203321883 XMZZONWLGDRLST-UHFFFAOYSA-N 228.908 2.640 70 50 BFIA in-vitro Cc1cc(S(=O)(=O)Cl)c(F)cc1Cl 100091169 HHPBVNJGNFMCKA-UHFFFAOYSA-N 243.086 2.715 70 50 BFIA O=S(=O)(Cl)c1c(F)cc(F)cc1Cl 100518607 LQNJFBCFVPOKJD-UHFFFAOYSA-N 247.049 2.546 70 50 BFIA CC(C)c1cc(C(=O)N2C[C@H]3CCC[C@@H]2C3)no1 216843779 ASSYFBNATVYDLJ-WDEREUQCSA-N 248.326 2.813 70 50 BFIA O=S(=O)(Cl)c1cc(C2CC2)cs1 1848350322 PSODPUDDEWYNQE-UHFFFAOYSA-N 222.718 2.553 70 50 BFIA CCCCc1cccc(S(=O)(=O)Cl)c1 101445278 BZZCBXBPWFWBEW-UHFFFAOYSA-N 232.732 2.957 70 50 BFIA O=S(=O)(Cl)c1c(Cl)cccc1Cl 59796733 WGGKQIKICKLWGN-UHFFFAOYSA-N 245.514 2.921 70 50 BFIA in-vitro F[B-](F)(F)c1ccccc1Br 170170703 BADAICVFNZBPNU-UHFFFAOYSA-N 223.808 2.504 70 50 BFIA F[B-](F)(F)c1ccc(N2CCCCC2)cc1 261508433 SJRJUSGVKWLNAM-UHFFFAOYSA-N 228.046 2.731 70 50 BFIA Cc1ccc(S(=O)(=O)Cl)c(Cl)c1 100057514 JWFLSLOCDIEDGQ-UHFFFAOYSA-N 225.096 2.576 70 50 BFIA O=S(=O)(Cl)Cc1ccc(Cl)cc1F 100294190 WRWQIURFCWLMRC-UHFFFAOYSA-N 243.086 2.548 70 50 BFIA in-vitro CCSc1ccccc1[B-](F)(F)F 216708670 DKDIOXULQHPGNP-UHFFFAOYSA-N 205.033 2.853 70 50 BFIA CC(C)Cc1ccc(S(=O)(=O)Cl)cc1 100066138 FNONSGOSEKJJGP-UHFFFAOYSA-N 232.732 2.813 70 50 BFIA O=S(=O)(Cl)c1cc(Cl)cc(Cl)c1 59796732 RJSQINMKOSOUGT-UHFFFAOYSA-N 245.514 2.921 70 50 BFIA in-vitro CCCCCOc1ccc(S(=O)(=O)F)cc1 238854295 NJSXFZKLSKHCHD-UHFFFAOYSA-N 246.303 2.914 70 50 BFIA O=C1c2ccccc2-c2ccc([B-](F)(F)F)cc21 169806912 JNNCNYUUSXKTGC-UHFFFAOYSA-N 247.004 2.952 70 50 BFIA C=C(CN1CCC[C@@H](C)C1)[B-](F)(F)F 199631676 AUZQSADBICLUCF-MRVPVSSYSA-N 206.040 2.661 70 50 BFIA in-vitro COc1ccc(C(C)C)cc1S(=O)(=O)Cl 100153435 MSLSAAVSJMRGIC-UHFFFAOYSA-N 248.731 2.746 70 50 BFIA in-vitro CC(F)(F)c1cccc(S(=O)(=O)Cl)c1 167216406 NMHZVWQOXJYTPQ-UHFFFAOYSA-N 240.658 2.726 70 50 BFIA CCn1c(=N)sc2c(C)cc(C)cc21 217428934 NCGRBHSFIDWLSD-UHFFFAOYSA-N 206.314 2.819 70 50 BFIA COc1ccc(NC(=O)CC[B-](F)(F)F)cc1 230551038 MQNOIAFEOGXSMJ-UHFFFAOYSA-N 246.017 2.871 70 50 BFIA CC(C)COc1ccc(S(=O)(=O)Cl)cc1 100572629 NHXWTFAPVNWYJI-UHFFFAOYSA-N 248.731 2.649 70 50 BFIA in-vitro C[SiH](c1ccccc1)c1cccc2ccccc12 169828440 MFHKHEGUEMJBAK-UHFFFAOYSA-N 248.401 2.811 70 50 BFIA CCOC(=O)c1cc2c(ccc3cccnc32)[nH]1 218058705 QGADNEJDVCPEPF-UHFFFAOYSA-N 240.262 2.893 70 50 BFIA biogenic ClC(Cl)[Si](Cl)(Cl)Cl 169806125 LQUJCRPJNSUWKY-UHFFFAOYSA-N 218.370 2.985 70 50 BFIA Fc1ccc(OC(F)(F)F)cc1[B-](F)(F)F 259431652 RKLSKTMSOLYLBH-UHFFFAOYSA-N 246.898 2.779 70 50 BFIA Cc1ccc(S(=O)(=O)Cl)cc1Cl 59796773 GNYVVCRRZRVBDD-UHFFFAOYSA-N 225.096 2.576 70 50 BFIA in-vitro N#CCCC[Si](Cl)(Cl)Cl 169743135 HMFFOEBLYHLRQN-UHFFFAOYSA-N 202.544 2.945 70 50 BFIA CCC[B-]1(CCC)N=CNc2cccc[n+]21 195815242 KPWCGNICQAHSEU-UHFFFAOYSA-N 217.125 2.538 70 50 BFIA CC(C)(C)OC(=O)N1CC(C[B-](F)(F)F)C1 208326064 NYMGCYHAJVXEMN-UHFFFAOYSA-N 238.038 2.701 70 50 BFIA Cc1c(C)c(C)c(S(=O)(=O)F)c(C)c1C 196724808 UBMKGMGVDGGORF-UHFFFAOYSA-N 230.304 2.887 70 50 BFIA Cc1n[nH]c(C)c1NC(=O)[C@H]1CCC[C@H](C)C1 160795575 MGYWAPUQOAYPGE-KWQFWETISA-N 235.331 2.791 70 50 BFIA O=S(=O)(Cl)c1ccc(Cl)c(Cl)c1 59796731 NYIBPWGZGSXURD-UHFFFAOYSA-N 245.514 2.921 70 50 BFIA in-vitro CC(C)(C)c1ccc(S(=O)(=O)Cl)s1 100458255 JWHLHIKHBZVZNS-UHFFFAOYSA-N 238.761 2.973 70 50 BFIA O=S(=O)(Cl)CCCCCC(F)(F)F 100554853 SMKXPPQYNAJWST-UHFFFAOYSA-N 238.658 2.678 70 50 BFIA O=S(=O)(Cl)c1ccc(C2CC2)s1 716616244 FYGAHRYSMWPRDN-UHFFFAOYSA-N 222.718 2.553 70 50 BFIA OCCN[C@H](Cc1ccccc1)C1CCCCC1 159698929 ZLZVAFLAQCDGSO-MRXNPFEDSA-N 247.382 2.760 70 50 BFIA O=S(=O)(Cl)c1c(F)ccc(Cl)c1F 100516608 HKAXNMHNWLETHN-UHFFFAOYSA-N 247.049 2.546 70 50 BFIA Clc1cc2c(cc1Br)CCNC2 217819518 XUMVOYPGDISUGG-UHFFFAOYSA-N 246.535 2.748 70 50 BFIA Fc1cncc(CNc2ccccc2)c1 160124776 WYAOWAHAZMYZGV-UHFFFAOYSA-N 202.232 2.833 70 50 BFIA Cl[Si](Cl)(Cl)c1ccccc1 169743015 ORVMIVQULIKXCP-UHFFFAOYSA-N 211.551 2.549 70 50 BFIA OCCN[C@@H](Cc1ccccc1)C1CCCCC1 159698808 ZLZVAFLAQCDGSO-INIZCTEOSA-N 247.382 2.760 70 50 BFIA COc1ccc(COC(=O)N=[N+]=[N-])cc1 12956361 NQBRFIXRZDTIRQ-UHFFFAOYSA-N 207.189 2.642 70 50 BFIA CCc1nc(NC(=O)[C@@H]2CC2(C)C)sc1C 159609384 IQTBVLONCQPNLU-QMMMGPOBSA-N 238.356 2.999 70 50 BFIA F[B-](F)(F)C[C@H]1COc2ccccc2O1 206503584 BJDZGSMDCIVRBG-ZETCQYMHSA-N 216.975 2.674 70 50 BFIA Cc1n[nH]c(C)c1NC(=O)[C@@H]1CCC[C@H](C)C1 160795451 MGYWAPUQOAYPGE-GZMMTYOYSA-N 235.331 2.791 70 50 BFIA O=S(=O)(F)c1cc(Cl)ccc1Cl 143159447 RFKAVWPYSXFORB-UHFFFAOYSA-N 229.059 2.652 70 50 BFIA CC(C)(C)OC(=O)c1cccc([B-](F)(F)F)c1 170009990 RVJLIHDZXZBRIC-UHFFFAOYSA-N 245.029 2.696 70 50 BFIA CSCCn1c(=N)sc2cc(F)ccc21 217429462 KOUZQPHVWFXLGJ-UHFFFAOYSA-N 242.344 2.684 70 50 BFIA Cc1ccc(NC(=O)N2CC[C@@H](C)[C@H]2C)cn1 161430737 ZXFRKICBEYPCGQ-MWLCHTKSSA-N 233.315 2.652 70 50 BFIA Cc1cccc(Cl)c1S(=O)(=O)Cl 59281329 FJVZVTWCAGCLCS-UHFFFAOYSA-N 225.096 2.576 70 50 BFIA CC(C)(C)c1ccc(S(=O)(=O)Cl)cc1 95719253 YEZADZMMVHWFIY-UHFFFAOYSA-N 232.732 2.912 70 50 BFIA in-vitro CC(C)C[C@@H]1CC(=O)Oc2cc3c(cc21)OCO3 217669377 JTGNKUMJBMWCLH-SECBINFHSA-N 248.278 2.854 70 50 BFIA biogenic O=S(=O)(Cl)c1c(F)cc(Cl)cc1F 100516658 GAEHZFWVPOSTFD-UHFFFAOYSA-N 247.049 2.546 70 50 BFIA CC(C)(C)OC(=O)N1CCC[C@@H]1[B-](F)(F)F 208326165 HILPMRZUQOEYEW-SSDOTTSWSA-N 238.038 2.773 70 50 BFIA CC(C)[C@@H](c1ccccc1)S(=O)(=O)F 757178005 QGIFFFLHGPHENI-JTQLQIEISA-N 216.277 2.683 70 50 BFIA O=S(=O)(Cl)c1ccc2ccccc2c1 95736114 OPECTNGATDYLSS-UHFFFAOYSA-N 226.684 2.767 70 50 BFIA O=S(=O)(Cl)c1cc(Cl)ccc1Cl 59796730 BXCOSWRSIISQSL-UHFFFAOYSA-N 245.514 2.921 70 50 BFIA in-vitro C1COC[C@H](NCC2C3CC4CC(C3)CC2C4)C1 217128059 SQEWITRZQRPOQI-BAPHQMLMSA-N 249.398 2.827 70 50 BFIA CCCC[C@@H](CC)CS(=O)(=O)Cl 100556561 MGSJLLZBAFJKDG-MRVPVSSYSA-N 212.742 2.771 70 50 BFIA CC(C)c1ccc(S(=O)(=O)Cl)cc1 45329244 CETRNHJIXGITKR-UHFFFAOYSA-N 218.705 2.738 70 50 BFIA in-vitro O=S(=O)(Cl)c1cc(Cl)c(F)cc1F 95682184 XMNXVDULKLCZFG-UHFFFAOYSA-N 247.049 2.546 70 50 BFIA in-vitro CCCCc1ccc(S(=O)(=O)Cl)cc1 95707684 OVFZELSNOHIDEF-UHFFFAOYSA-N 232.732 2.957 70 50 BFIA in-vitro O=S(=O)(F)c1cccc(Cl)c1Cl 143793003 FNXHXUGJBKXHFS-UHFFFAOYSA-N 229.059 2.652 70 50 BFIA F[B-](F)(F)c1ccc(CN2CCCCC2)cc1 169746065 HGGOUDRJPOWMPP-UHFFFAOYSA-N 242.073 2.727 70 50 BFIA CCCc1ccc(S(=O)(=O)Cl)cc1 95707708 LEFGAGRZHLNPLS-UHFFFAOYSA-N 218.705 2.567 70 50 BFIA in-vitro CC(C)Oc1cccc([B-](F)(F)F)c1F 170021812 OJDXJCCHKKRSID-UHFFFAOYSA-N 220.982 2.667 70 50 BFIA in-vitro O=S(=O)(F)c1cnc2ccccc2c1Cl 675065212 CUZNNVDAKJDWPL-UHFFFAOYSA-N 245.662 2.546 70 50 BFIA O=S(=O)(Cl)c1cc2ccccc2s1 95681669 FKIIVBOPAHICHQ-UHFFFAOYSA-N 232.713 2.829 70 50 BFIA Cc1cc(F)c(Cl)cc1S(=O)(=O)Cl 100518678 RAYLWLGLEWDHBZ-UHFFFAOYSA-N 243.086 2.715 70 50 BFIA CC(C)(C)c1ccc(S(=O)(=O)F)cc1 103525338 YMGHXAOUCWPSDV-UHFFFAOYSA-N 216.277 2.642 70 50 BFIA CSCCn1c(=N)sc2cc(C)ccc21 217429578 YTANYBXNHRZFPK-UHFFFAOYSA-N 238.381 2.854 70 50 BFIA O=S(=O)(Cl)c1ccc(C23CC(C2)C3)cc1 238547773 MNJVBNBVQRFHKF-UHFFFAOYSA-N 242.727 2.666 70 50 BFIA Cc1cc(C)c(S(=O)(=O)Cl)cc1C 98047006 ZFMHIKFWALHYFF-UHFFFAOYSA-N 218.705 2.539 70 50 BFIA in-vitro O=S(=O)(Cl)C12CC3CC(CC(C3)C1)C2 100067905 LLZYXOXYBQDLIC-UHFFFAOYSA-N 234.748 2.524 70 50 BFIA CC(=O)c1ccc(OCC(F)F)cc1F 159629091 BKKTXISQRKVNIY-UHFFFAOYSA-N 218.174 2.672 70 50 BFIA Fc1ccc([B-](F)(F)F)cc1C(F)(F)F 203325855 HPGRSKWJSUXWQL-UHFFFAOYSA-N 230.899 2.899 70 50 BFIA F[B-](F)(F)c1ccc(Br)cc1 169748136 VRMNDXGZWJHIDX-UHFFFAOYSA-N 223.808 2.504 70 50 BFIA in-vitro Cc1n[nH]c(C)c1NC(=O)[C@H]1CCC[C@@H](C)C1 160795795 MGYWAPUQOAYPGE-KCJUWKMLSA-N 235.331 2.791 70 50 BFIA CN(Cc1ccccc1)C[B-](F)(F)F 169747088 JRTRNQRZOUGDCI-UHFFFAOYSA-N 202.008 2.505 70 50 BFIA CC(C)C[C@H]1CC(=O)Oc2cc3c(cc21)OCO3 217669466 JTGNKUMJBMWCLH-VIFPVBQESA-N 248.278 2.854 70 50 BFIA biogenic O=S(=O)(Cl)c1cc(F)c(Cl)cc1F 95682185 RONRQDJNXCXAOU-UHFFFAOYSA-N 247.049 2.546 70 50 BFIA Cc1ccc(S(=O)(=O)F)cc1C(F)(F)F 675063332 QLQNPQGAZMYXJJ-UHFFFAOYSA-N 242.193 2.672 70 50 BFIA O=S(=O)(Cl)c1cccc(Cl)c1Cl 59796728 PQODWTNHDKDHIW-UHFFFAOYSA-N 245.514 2.921 70 50 BFIA in-vitro COc1ccc(COC[B-](F)(F)F)c(OC)c1 170175225 CEZHKBBCJJAXSO-UHFFFAOYSA-N 249.017 2.607 70 50 BFIA O=S(=O)(F)c1cc(C(F)(F)F)ccc1F 198550774 VKBPNUODPPOMTL-UHFFFAOYSA-N 246.156 2.503 70 50 BFIA CSc1ccc([B-](F)(F)F)cc1F 217048927 BNRNIQZEVRCFDN-UHFFFAOYSA-N 208.996 2.602 70 50 BFIA O=S(=O)(Cl)Cc1c(F)cccc1Cl 100043024 VFDXEVWUTIVWCR-UHFFFAOYSA-N 243.086 2.548 70 50 BFIA C=C(CN1CCC(C)CC1)[B-](F)(F)F 199631630 XMEGUWVOVIWLCB-UHFFFAOYSA-N 206.040 2.661 70 50 BFIA in-vitro COc1cc(C)c(S(=O)(=O)Cl)c(C)c1C 100014259 DWLYVEYCCPEHLX-UHFFFAOYSA-N 248.731 2.548 70 50 BFIA F[B-](F)(F)c1cncc2cc(Cl)ccc12 1848350329 POOQAPPUIJSSPA-UHFFFAOYSA-N 230.405 2.943 70 50 BFIA CC1(C)CCC(S(=O)(=O)Cl)CC1 100458623 TZIFXIKYTZVVKH-UHFFFAOYSA-N 210.726 2.524 70 50 BFIA in-vitro C1COC[C@@H](NCC2C3CC4CC(C3)CC2C4)C1 217128049 SQEWITRZQRPOQI-CGAUPDFVSA-N 249.398 2.827 70 50 BFIA O=S(=O)(Cl)CC12CC3CC(CC(C3)C1)C2 156937617 GBKHUYXWTUXLBQ-UHFFFAOYSA-N 248.775 2.771 70 50 BFIA O=S(=O)(F)Cc1ccccc1C(F)(F)F 258274287 CBQMFQLRFWVDFD-UHFFFAOYSA-N 242.193 2.505 70 50 BFIA F[B-](F)(F)c1ccccc1C(F)(F)F 170162779 UEPOTJIDDJHFDI-UHFFFAOYSA-N 212.909 2.760 70 50 BFIA Cc1ccc(Cl)c(S(=O)(=O)Cl)c1 59059426 IJUVBGAZPUZWJR-UHFFFAOYSA-N 225.096 2.576 70 50 BFIA in-vitro C[Si](Cl)(c1ccccc1)c1ccccc1 169744922 OJZNZOXALZKPEA-UHFFFAOYSA-N 232.786 2.615 70 50 BFIA in-vitro Cc1c(S(=O)(=O)F)oc2ccc(F)cc12 675063077 ICNAPIPTECNGNF-UHFFFAOYSA-N 232.207 2.539 70 50 BFIA Cc1ccc(C[SiH](C)c2ccccc2)cc1 169817065 OYQSEIBXTGPYSD-UHFFFAOYSA-N 226.395 2.841 70 50 BFIA c1ccc(C[SiH2]Cc2ccccc2)cc1 169818236 ZOSYJZBGCNUCSZ-UHFFFAOYSA-N 212.368 2.556 70 50 BFIA Cc1cc(C)cc([C@@H](C)S(=O)(=O)F)c1 757179205 PAQZFEAXCMAZBT-SECBINFHSA-N 216.277 2.664 70 50 BFIA O=S(=O)(F)c1ccc2c3c(cccc13)CC2 675066313 LYKPWXBFVSUNON-UHFFFAOYSA-N 236.267 2.597 70 50 BFIA O=S(=O)(F)Cc1ccc(Cl)cc1Cl 675065788 QDTIPLISHUQXSG-UHFFFAOYSA-N 243.086 2.793 70 50 BFIA O=S(=O)(Cl)Cc1cc(F)ccc1Cl 100294203 WKXDGNCTCLTUHF-UHFFFAOYSA-N 243.086 2.548 70 50 BFIA in-vitro O=S(=O)(Cl)C1=Cc2ccccc2CC1 100048640 XFOWQBUKLCPMED-UHFFFAOYSA-N 228.700 2.542 70 50 BFIA O=C(CC[B-](F)(F)F)Nc1ccccc1 197982235 CWTBVZGQSWWIQK-UHFFFAOYSA-N 215.991 2.863 70 50 BFIA Cc1ccccc1C[SiH](C)c1ccccc1 169817059 PWFQYMVWXLWIHE-UHFFFAOYSA-N 226.395 2.841 70 50 BFIA O=S(=O)(Cl)c1ccc(C(F)(F)F)cc1 59796774 OZDCZHDOIBUGAJ-UHFFFAOYSA-N 244.621 2.633 70 50 BFIA in-vitro C=C(C)C(=O)OCCC[Si](C)(C)Cl 169747580 OKQXCDUCLYWRHA-UHFFFAOYSA-N 220.772 2.940 70 50 BFIA O=S(=O)(F)Cc1ccc(Cl)c(Cl)c1 147404994 TUGUTTBPDKHDGJ-UHFFFAOYSA-N 243.086 2.793 70 50 BFIA CCCCOc1ccc(S(=O)(=O)Cl)cc1 95707682 HGKWMUBXVMFXNC-UHFFFAOYSA-N 248.731 2.793 70 50 BFIA in-vitro O=S(=O)(F)c1cc(Cl)c(Cl)s1 238730579 CTFSVTLSIBOOMZ-UHFFFAOYSA-N 235.088 2.713 70 50 BFIA Cc1nc2ccc(S(=O)(=O)Cl)cc2s1 59681434 PMMBRDLKYRRHMI-UHFFFAOYSA-N 247.728 2.532 70 50 BFIA in-vitro Cc1cc(S(=O)(=O)Cl)sc1Cl 100544089 DSTGCHNMTLFDBN-UHFFFAOYSA-N 231.125 2.637 70 50 BFIA in-vitro F[B-](F)(F)c1c(C(F)(F)F)ccnc1Cl 170177349 NYIFNYKRTQJYDC-UHFFFAOYSA-N 248.342 2.808 70 50 BFIA CCCC[C@H](CC)CS(=O)(=O)Cl 100556563 MGSJLLZBAFJKDG-QMMMGPOBSA-N 212.742 2.771 70 50 BFIA Cc1cc(S(=O)(=O)Cl)c(C(F)(F)F)o1 95676404 GSYXWDYWBRICSD-UHFFFAOYSA-N 248.609 2.534 70 50 BFIA CCOc1ccccc1CNC(=O)[C@@H]1CC1(C)C 160569324 IRVFNSDLVFXDGO-LBPRGKRZSA-N 247.338 2.748 70 50 BFIA CCCOc1ccc([B-](F)(F)F)cc1 203318609 IRQNOLKEPRCLRU-UHFFFAOYSA-N 202.992 2.530 70 50 BFIA COc1ccc(S(=O)(=O)Cl)cc1C(C)C 100293925 VKOMAPGWMCUJAX-UHFFFAOYSA-N 248.731 2.746 70 50 BFIA O=S(=O)(F)Cc1ccc(C(F)(F)F)cc1 258438261 HHVOSSWFSGBWQC-UHFFFAOYSA-N 242.193 2.505 70 50 BFIA Cc1cc(S(=O)(=O)Cl)c(Cl)cc1F 100295449 ZBESDXZUNWBMTH-UHFFFAOYSA-N 243.086 2.715 70 50 BFIA O=S(=O)(F)Cc1cc(Cl)cc(Cl)c1 675063429 UAEZCLANGCATNT-UHFFFAOYSA-N 243.086 2.793 70 50 BFIA Cc1cc(Cl)ccc1S(=O)(=O)Cl 100066729 DTMRZJATPXTPSM-UHFFFAOYSA-N 225.096 2.576 70 50 BFIA in-vitro COc1ccc(C(=O)N2C[C@@H]3CCC[C@H](C3)C2)o1 217728920 NFRMBOPMNGWVGJ-GHMZBOCLSA-N 249.310 2.550 70 50 BFIA O=S(=O)(Cl)CC[C@H]1CCc2ccccc21 258055686 TUSCXYXESZIDGK-SNVBAGLBSA-N 244.743 2.675 70 50 BFIA CC(C)(C)OC(=O)N1CCC[C@H]1[B-](F)(F)F 208326125 HILPMRZUQOEYEW-ZETCQYMHSA-N 238.038 2.773 70 50 BFIA C=C(CN1CCC[C@H](C)C1)[B-](F)(F)F 199631656 AUZQSADBICLUCF-QMMMGPOBSA-N 206.040 2.661 70 50 BFIA in-vitro COc1cc(NC(=O)c2ccco2)ccc1F 160557477 OFENCDDEJGGXGP-UHFFFAOYSA-N 235.214 2.680 70 50 BFIA CC(=O)Nc1ccc2nc(CC(C)C)[nH]c2c1 218539029 WPJZHDRYAXKGBH-UHFFFAOYSA-N 231.299 2.720 70 50 BFIA COc1ccc(S(=O)(=O)F)c2ccccc12 675065735 NUAJTLDZONLQQD-UHFFFAOYSA-N 240.255 2.507 70 50 BFIA O=S(=O)(F)c1c(Cl)cccc1Cl 113567513 YZHIFNHRRUIOAY-UHFFFAOYSA-N 229.059 2.652 70 50 BFIA Cc1ccc(Cl)cc1S(=O)(=O)Cl 98022968 VHBFBNCERXCECQ-UHFFFAOYSA-N 225.096 2.576 70 50 BFIA in-vitro COc1ccc(COC[B-](F)(F)F)cc1 170175110 OUXWPRVDRCMHOF-UHFFFAOYSA-N 218.991 2.598 70 50 BFIA in-vitro F[B-](F)(F)C[C@@H]1COc2ccccc2O1 206503546 BJDZGSMDCIVRBG-SSDOTTSWSA-N 216.975 2.674 70 50 BFIA CC(C)(C)OC(=O)c1ccc([B-](F)(F)F)cc1 170017281 UUIHTFHLYFQMMM-UHFFFAOYSA-N 245.029 2.696 70 50 BFIA O=S(=O)(Cl)c1cccc(C(F)(F)F)c1 59796713 ONCAZCNPWWQQMW-UHFFFAOYSA-N 244.621 2.633 70 50 BFIA C[SiH](O[Si](C)(C)C)O[Si](C)(C)C 169744758 QNWOFLWXQGHSRH-UHFFFAOYSA-N 222.509 2.540 70 50 BFIA O=S(=O)(Cl)c1ccc(F)c2ccccc12 95682140 QEFYRYVTYJSUJE-UHFFFAOYSA-N 244.674 2.906 70 50 BFIA in-vitro COc1ccccc1NC(=O)CC[B-](F)(F)F 230555282 MJKLFNITQSQIGK-UHFFFAOYSA-N 246.017 2.871 70 50 BFIA C[Si]1(Cl)c2ccccc2-c2ccccc21 169818229 XCCMYBOVYLGMDE-UHFFFAOYSA-N 230.770 2.595 70 50 BFIA Cc1ccc([Si](Cl)(Cl)Cl)cc1 169746776 WOMUGKOOLXQCTQ-UHFFFAOYSA-N 225.578 2.857 70 50 BFIA Cc1ccc(NC(=O)N2CC[C@@H](C)[C@@H]2C)cn1 161430516 ZXFRKICBEYPCGQ-KOLCDFICSA-N 233.315 2.652 70 50 BFIA CC(C)(C)c1cccc(S(=O)(=O)Cl)c1 95698325 WZQSQOIYTVCFMP-UHFFFAOYSA-N 232.732 2.912 70 50 BFIA Cc1nc2c(c(-c3ccc(O)c(C)c3)n1)CCC2 217206201 QNNZIKGKEXMSGN-UHFFFAOYSA-N 240.306 2.955 70 50 BFIA O=S(=O)(F)Cc1cccc(C(F)(F)F)c1 259025395 VKMYOGFULCPIJT-UHFFFAOYSA-N 242.193 2.505 70 50 BFIA F[B-](F)(F)c1cccc(Br)c1 169794508 WZDPJQACCKGYNB-UHFFFAOYSA-N 223.808 2.504 70 50 BFIA in-vitro CCCn1c(=N)sc2ccc(OC)cc21 217432578 COSLTQRIZYLXPO-UHFFFAOYSA-N 222.313 2.601 70 50 BFIA F[B-](F)(F)c1csc2ccccc12 170162434 ZEBTWFKRNQHEPN-UHFFFAOYSA-N 201.001 2.956 70 50 BFIA CC(C)(C)OC(=O)N1CC[C@@H]([B-](F)(F)F)C1 205605385 MMFBWBFDEMUSFK-SSDOTTSWSA-N 238.038 2.845 70 50 BFIA in-vitro O=C(c1cnc2ccccc2c1)[B-](F)(F)F 257373362 YBGXWWYOBQPJCZ-UHFFFAOYSA-N 223.970 2.804 70 50 BFIA O=S(=O)(F)Cc1c(Cl)cccc1Cl 238857026 XTSNJHAHKOSZFE-UHFFFAOYSA-N 243.086 2.793 70 50 BFIA C[SiH](CCc1ccccc1)c1ccccc1 169817067 XIPCMUXWIUPIAH-UHFFFAOYSA-N 226.395 2.993 70 50 BFIA COc1ccc([B-](F)(F)F)c2ccccc12 169965520 SSFVFLSBLKACCI-UHFFFAOYSA-N 224.998 2.903 70 50 BFIA Cc1c(S(=O)(=O)Cl)oc2ccccc12 103712450 USUCLGZESDJLKQ-UHFFFAOYSA-N 230.672 2.669 70 50 BFIA in-vitro CC(C)c1cccc(S(=O)(=O)Cl)c1 100046331 ZFVRVVPYKFLHAE-UHFFFAOYSA-N 218.705 2.738 70 50 BFIA in-vitro C[SiH](Cc1ccccc1)c1ccccc1 169817052 GHNYCHBCXVYZPX-UHFFFAOYSA-N 212.368 2.532 70 50 BFIA O=S(=O)(Cl)c1csc2ccccc12 95681665 WYYRQMZTUXFUTC-UHFFFAOYSA-N 232.713 2.829 70 50 BFIA Cc1cc(C)c(C)c(S(=O)(=O)Cl)c1C 95713648 ZCXRROBIIMQMHR-UHFFFAOYSA-N 232.732 2.848 70 50 BFIA Cc1cc(Cl)cc(S(=O)(=O)Cl)c1 100553653 XEUCFELODGWVMQ-UHFFFAOYSA-N 225.096 2.576 70 50 BFIA O=S(=O)(Cl)c1c(Cl)ccc(F)c1F 100516574 WBXCGHIQPPUCPK-UHFFFAOYSA-N 247.049 2.546 70 50 BFIA in-vitro CCCCCCCCS(=O)(=O)Cl 95713965 WIVNTNLDTMNDNO-UHFFFAOYSA-N 212.742 2.916 70 50 BFIA O=S(=O)(Cl)c1ccc(F)c(Cl)c1F 100516536 LWTZUPNGXKUHOP-UHFFFAOYSA-N 247.049 2.546 70 50 BFIA c1ccc2nc(N[C@@H]3C[C@@H]4OCC[C@@H]43)ccc2c1 217559776 JZBPKGYTHUSRGL-BNOWGMLFSA-N 240.306 2.824 70 50 BFIA O=S(=O)(F)c1cc(Cl)sc1Cl 149906258 ABNWXJBSROUHKZ-UHFFFAOYSA-N 235.088 2.713 70 50 BFIA O=S(=O)(Cl)c1ccc(Cl)cc1Cl 59796729 FDTPBIKNYWQLAE-UHFFFAOYSA-N 245.514 2.921 70 50 BFIA in-vitro O=S(=O)(Cl)CC1C2CC3CC(C2)CC1C3 156927394 OMIYZADVVBWUAT-UHFFFAOYSA-N 248.775 2.627 70 50 BFIA CC(C)(C)OC(=O)N1CC[C@H]([B-](F)(F)F)C1 205605399 MMFBWBFDEMUSFK-ZETCQYMHSA-N 238.038 2.845 70 50 BFIA in-vitro Cc1c(Cl)cccc1S(=O)(=O)Cl 95713644 ZSIYKAQPQRTBPF-UHFFFAOYSA-N 225.096 2.576 70 50 BFIA in-vitro Cc1sc(Cl)nc1C(=O)NCCC(C)C 218150092 RRURDBNIHDEXFL-UHFFFAOYSA-N 246.763 2.881 70 50 BFIA CCSc1ccc([B-](F)(F)F)cc1 169746113 HBQJYZPOXFVCHT-UHFFFAOYSA-N 205.033 2.853 70 50 BFIA in-vitro CC(C)[C@H](c1ccccc1)S(=O)(=O)F 757178006 QGIFFFLHGPHENI-SNVBAGLBSA-N 216.277 2.683 70 50 BFIA CCc1nc(NC(=O)[C@H]2CC2(C)C)sc1C 159609521 IQTBVLONCQPNLU-MRVPVSSYSA-N 238.356 2.999 70 50 BFIA O=S(=O)(F)/C=C/c1ccccc1Cl 675063638 ZJTXHAHSKQSBKY-AATRIKPKSA-N 220.652 2.610 70 50 BFIA Cc1cc(NCCOc2ccccc2)ccn1 160914218 YTIUJPKMFBETAT-UHFFFAOYSA-N 228.295 2.881 70 50 BFIA O=S(=O)(F)c1ccc2c(c1)Cc1ccccc1-2 675062817 BNDUYGFODPENRX-UHFFFAOYSA-N 248.278 2.916 70 50 BFIA O=S(=O)(F)c1ccc(Cl)c(Cl)c1 100361207 MEUGNSGWAGTVDJ-UHFFFAOYSA-N 229.059 2.652 70 50 BFIA O=S(=O)(Cl)CC[C@@H]1CCc2ccccc21 258055682 TUSCXYXESZIDGK-JTQLQIEISA-N 244.743 2.675 70 50 BFIA Cc1ccc(NC(=O)N2CC[C@H](C)[C@@H]2C)cn1 161430386 ZXFRKICBEYPCGQ-ONGXEEELSA-N 233.315 2.652 70 50 BFIA