smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C[C@@H](CCCl)S(=O)(=O)Cl 104551977 VCFUHNZMYUUFGM-BYPYZUCNSA-N 191.079 1.572 70 40 ADIB CCn1cc(NC2=NCCCC2)cn1 217805723 PVCIUUNECMYUHP-UHFFFAOYSA-N 192.266 1.897 70 40 ADIB OC1=NN=C(c2cccnc2)[C@H]2C[C@H]12 217831965 XNWBQHHTMQYWQJ-YUMQZZPRSA-N 187.202 1.392 70 40 ADIB ClC[SiH2]C(Cl)Cl 199856103 HZWZGJQFUHYQOD-UHFFFAOYSA-N 163.507 1.113 70 40 ADIB CCc1ccc(S(=O)(=O)F)cc1 104506347 YKTVOVMXBLLWNM-UHFFFAOYSA-N 188.223 1.907 70 40 ADIB CNc1cncnc1OC1CCC1 217583295 REPMDVJGEOKHHZ-UHFFFAOYSA-N 179.223 1.450 70 40 ADIB COC(=O)c1cc(C(F)F)n[nH]1 217736436 OZFNHCBNPWBUOT-UHFFFAOYSA-N 176.122 1.134 70 40 ADIB NCCCN=C=NCc1ccccc1 17021171 ANFUDHOZMKGVTJ-UHFFFAOYSA-N 189.262 1.709 70 40 ADIB CC(=O)Nc1ccn2nccc2c1 218699382 YKQLXFYILDQYLD-UHFFFAOYSA-N 175.191 1.293 70 40 ADIB Cc1c(NC2=NCCC2)cnn1C 217803672 XZIRGAUMZBXDLF-UHFFFAOYSA-N 178.239 1.333 70 40 ADIB C[C@@H](CF)NC(=O)OC(C)(C)C 217425989 LCYJCLXHXXANCJ-LURJTMIESA-N 177.219 1.869 70 40 ADIB Cc1cc(S(=O)(=O)F)ccc1O 104161854 VWUZZTFOOGDELL-UHFFFAOYSA-N 190.195 1.359 70 40 ADIB CCC[C@H](C)CS(=O)(=O)F 100630831 RVEYUYIQKZYRJQ-LURJTMIESA-N 168.233 1.722 70 40 ADIB in-vitro Cc1cc(S(=O)(=O)Cl)cs1 100488261 ACAVTGXHELOTGZ-UHFFFAOYSA-N 196.680 1.984 70 40 ADIB in-vitro O=S(=O)(Cl)Oc1ccccc1 95470399 XBXHEDNNWSJZPK-UHFFFAOYSA-N 192.623 1.549 70 40 ADIB C[C@]12C[C@@]3(C(N)=O)[C@@H]1CC[C@@]23C 217631351 ICSCOEXWDOAKFX-CUJWVEQBSA-N 165.236 1.298 70 40 ADIB Cc1nc2[nH]cnc(=S)c2nc1C 217469424 PRBMZSACRGWKCK-UHFFFAOYSA-N 192.247 1.699 70 40 ADIB CCO/C=C/[SiH](C)C 201171079 CHUAPDSSSHQULB-AATRIKPKSA-N 130.263 1.563 70 40 ADIB OC1=NN=C(c2cccnc2)[C@H]2C[C@@H]12 217831820 XNWBQHHTMQYWQJ-JGVFFNPUSA-N 187.202 1.392 70 40 ADIB O=S(=O)(F)N1CCC2(CC1)CC2 1776011218 QCSQQPKAIXMJQR-UHFFFAOYSA-N 193.243 1.077 70 40 ADIB CCOC(=O)c1cncc(C)c1C 217038149 GWEFOVYCGBQHQS-UHFFFAOYSA-N 179.219 1.875 70 40 ADIB CCO[Si](Cl)(Cl)OCC 195754426 UFCXHBIETZKGHB-UHFFFAOYSA-N 189.114 1.973 70 40 ADIB BrCC[C@H]1CCO1 141401268 ZVDZWKMUYONCQC-YFKPBYRVSA-N 165.030 1.560 70 40 ADIB CN1CCC(Oc2nccs2)CC1 218228815 TXIWHVQPPPKPHD-UHFFFAOYSA-N 198.291 1.616 70 40 ADIB C[C@]12C[C@]3(C(N)=O)[C@@H]1CC[C@@]23C 217631190 ICSCOEXWDOAKFX-DOWZNPNQSA-N 165.236 1.298 70 40 ADIB COc1ccc([SiH2]C=C(C)C)cc1 604937252 IBYJWUAISSXDGA-UHFFFAOYSA-N 192.334 1.413 70 40 ADIB C[C@H](C(=N)N)C1CCC1 217694360 KSMPPOGCZUKETO-YFKPBYRVSA-N 126.203 1.359 70 40 ADIB Cc1nc(N)sc1C(=O)N=[N+]=[N-] 8450977 HUHDJILUWAUFHF-UHFFFAOYSA-N 183.196 1.484 70 40 ADIB C[Si](C)(F)CCC(=O)O 195760523 JMSMZBSKBGCABX-UHFFFAOYSA-N 150.225 1.636 70 40 ADIB Fc1cnc(Cl)cc1[B-](F)(F)F 238580083 GKJHJTPQAOCBTC-UHFFFAOYSA-N 198.335 1.929 70 40 ADIB O=S(=O)(OC1CC1)C(F)(F)F 100072100 HPINOIDASKKAQT-UHFFFAOYSA-N 190.142 1.015 70 40 ADIB in-vitro Cc1cncc(S(=O)(=O)Cl)c1 100133486 MSJZQOHFAWAQMR-UHFFFAOYSA-N 191.639 1.318 70 40 ADIB c1ccc(B2Nc3ccccc3O2)cc1 195753071 PBFCREGKEBBKAV-UHFFFAOYSA-N 195.030 1.886 70 40 ADIB O=C1CC(CCl)(CCl)C1 142053494 PMPQIOJVAKYQBA-UHFFFAOYSA-N 167.035 1.813 70 40 ADIB CC(C)CN(C)S(=O)(=O)Cl 59174058 BSJMWAIBHXXHJE-UHFFFAOYSA-N 185.676 1.058 70 40 ADIB in-vitro O=S(=O)(Cl)Cc1ccccn1 100047036 AJMQRUCRBKMIKB-UHFFFAOYSA-N 191.639 1.150 70 40 ADIB Cc1ccc(C)c(S(=O)(=O)F)c1 105391365 LIEBRHUMXKVERB-UHFFFAOYSA-N 188.223 1.962 70 40 ADIB O=Cc1ccc(S(=O)(=O)F)cc1 82062660 CBSXNTYILQLYSR-UHFFFAOYSA-N 188.179 1.157 70 40 ADIB Cc1cccc(NC(=O)CC(=N)N)c1 217742069 RUKUEFDDBVNRDE-UHFFFAOYSA-N 191.234 1.260 70 40 ADIB O=S(=O)(Cl)c1ccc(F)nc1 100003413 AJVKLXSVDZUDMM-UHFFFAOYSA-N 195.602 1.148 70 40 ADIB in-vitro c1cnc(OCC2CC2)cn1 217629440 IPNQKYOSRRTWCY-UHFFFAOYSA-N 150.181 1.265 70 40 ADIB COC(=O)c1cnn(C(F)(F)F)c1 217571179 UQBFBIRLNIXWQU-UHFFFAOYSA-N 194.112 1.146 70 40 ADIB CCNC(=O)Cc1ccc(C)cc1N 217776803 LAHDUTJFPYLQLG-UHFFFAOYSA-N 192.262 1.256 70 40 ADIB [N-]=[N+]=NC(=O)c1ccncc1 15784784 VYMROWZUHYKURR-UHFFFAOYSA-N 148.125 1.532 70 40 ADIB in-vitro F[B-](F)(F)Cn1cccn1 203431245 JDSLVYLODWBBFM-UHFFFAOYSA-N 148.904 1.270 70 40 ADIB in-vitro C[C@@H]1C[C@@H](S(=O)(=O)Cl)CCO1 112132201 VROGUTHTGWATKA-RITPCOANSA-N 198.671 1.123 70 40 ADIB in-vitro Cc1noc2nc(N)sc12 218734414 GRSPYEVBZNZPCN-UHFFFAOYSA-N 155.182 1.175 70 40 ADIB CN(C)[Si](C)(C)Cl 195767108 CFZHOUYDAHXRLY-UHFFFAOYSA-N 137.686 1.489 70 40 ADIB CC(=O)N1[C@H]2C=CC[C@H]1CC2 218687161 ASPNHHABGUHHOD-IUCAKERBSA-N 151.209 1.326 70 40 ADIB O=S(=O)(Cl)c1ccns1 106571383 DQJAPNFDKNYZFO-UHFFFAOYSA-N 183.641 1.071 70 40 ADIB F[B-](F)(F)c1ccncc1Cl 238711250 BDHWZYDNPLZHHH-UHFFFAOYSA-N 180.345 1.789 70 40 ADIB O=S(=O)(Cl)CC1(F)CCC1 238850825 CVZWKGMVXFJMNE-UHFFFAOYSA-N 186.635 1.447 70 40 ADIB in-vitro CC(=O)c1ccc(F)nc1C 218487476 WBRMBDBAKNJHBS-UHFFFAOYSA-N 153.156 1.732 70 40 ADIB C[C@@]12CC[C@H]3[C@@]1(C(N)=O)C[C@]32C 217631096 ICSCOEXWDOAKFX-SFKDOBOXSA-N 165.236 1.298 70 40 ADIB Cc1nn(C)cc1NC1=NCCC1 217803484 GPNSIVYYNDLTKR-UHFFFAOYSA-N 178.239 1.333 70 40 ADIB NC(=O)c1ccnc(C2CCCC2)c1 217630722 YTHBWOHVUCKQHY-UHFFFAOYSA-N 190.246 1.838 70 40 ADIB Cc1ccc(N)c(CC(=O)N(C)C)c1 217783087 KDDHUNQDQSOJIU-UHFFFAOYSA-N 192.262 1.208 70 40 ADIB CC[Si](Cl)Cl 195814906 PFMKUUJQLUQKHT-UHFFFAOYSA-N 128.054 1.972 70 40 ADIB CON[C@H](C)[C@H]1CC1(C)C 218694835 SEAUEFKDAYABJB-RNFRBKRXSA-N 143.230 1.572 70 40 ADIB O=C(O)NCC[B-](F)(F)F 1772490930 VUVHQJVRRPNSGC-UHFFFAOYSA-N 155.892 1.101 70 40 ADIB CCCn1cc(NC2=NCCC2)cn1 217802837 ZIWUANNMARSQLX-UHFFFAOYSA-N 192.266 1.897 70 40 ADIB Cc1cc(CN(C)C)c(C)[nH]1 218643485 ASZGECGEBICNGZ-UHFFFAOYSA-N 152.241 1.693 70 40 ADIB O=S(=O)(F)Nc1ccc(F)cc1 1776011245 VTMYBIMEKWBDGC-UHFFFAOYSA-N 193.174 1.452 70 40 ADIB Cn1cc(-c2ccc(O)cc2)[nH]c1=O 216757573 WTPIZWCIOLSTNR-UHFFFAOYSA-N 190.202 1.086 70 40 ADIB O=S(=O)(F)c1ccc(F)cc1 100043868 AMJKUTUQZZVWMJ-UHFFFAOYSA-N 178.159 1.484 70 40 ADIB in-vitro CON[C@H](C)[C@@H]1CC1(C)C 218694671 SEAUEFKDAYABJB-RQJHMYQMSA-N 143.230 1.572 70 40 ADIB C=C(CCl)S(=O)(=O)F 97957410 WCLHGBUHYGRIED-UHFFFAOYSA-N 158.581 1.038 70 40 ADIB C[C@H]1OC[C@H]1I 163856158 BISBBIPSCBEZHX-QWWZWVQMSA-N 198.003 1.209 70 40 ADIB CCn1ncc(NC2=NCCC2)c1C 217803778 SUEMPRGGKXMRSJ-UHFFFAOYSA-N 192.266 1.816 70 40 ADIB C[C@H]1OC[C@@H]1I 163856387 BISBBIPSCBEZHX-DMTCNVIQSA-N 198.003 1.209 70 40 ADIB C[Si](F)F 196665702 HBDHEULZOVVYQR-UHFFFAOYSA-N 81.117 1.043 70 40 ADIB N=C(N)CC(=O)NC1CCCCCC1 217739870 WHINDKKCZJWUJQ-UHFFFAOYSA-N 197.282 1.151 70 40 ADIB Cn1cnc2c1CCCCC2 217695627 KQJYBAPYYNTEPX-UHFFFAOYSA-N 150.225 1.689 70 40 ADIB OC1=NN=C(c2cccnc2)[C@@H]2C[C@H]12 217831893 XNWBQHHTMQYWQJ-SFYZADRCSA-N 187.202 1.392 70 40 ADIB Cc1ccc(S(=O)(=O)Cl)nc1 100128373 LYAMBGLESYHDKU-UHFFFAOYSA-N 191.639 1.318 70 40 ADIB in-vitro c1cnc2c(n1)[C@@H]1CC[C@@H]2C1 217623466 BWKAAGVTDSMIBF-RNFRBKRXSA-N 146.193 1.841 70 40 ADIB CC(C)(C)C(=O)CS(=O)(=O)Cl 257197600 DTFHGBXKQQYFKI-UHFFFAOYSA-N 198.671 1.170 70 40 ADIB C[SiH](C)C 169806093 PQDJYEQOELDLCP-UHFFFAOYSA-N 74.199 1.103 70 40 ADIB in-vitro F[B-](F)(F)CN1CCC1 199129420 CIRHCQHVXTYAIJ-UHFFFAOYSA-N 137.921 1.079 70 40 ADIB CC(C)n1nc(C2CC2)cc1N 217641287 PLXODNIJQHTNTE-UHFFFAOYSA-N 165.240 1.924 70 40 ADIB CC(C)N=C=NCCC[N+](C)(C)C 32628104 FMIOHIMDVCCXSY-UHFFFAOYSA-N 184.307 1.665 70 40 ADIB COC(=O)C1CC([B-](F)(F)F)C1 238312716 KCFDBLGJAXCBAP-UHFFFAOYSA-N 180.942 1.787 70 40 ADIB [N-]=[N+]=NC(=O)c1ccco1 15784358 YKSPDHDZLUZVDJ-UHFFFAOYSA-N 137.098 1.730 70 40 ADIB in-vitro CC(C)(C)CCS(=O)(=O)F 100630709 DYOHYZQXJMQYBZ-UHFFFAOYSA-N 168.233 1.722 70 40 ADIB in-vitro Cc1ccc(N)cc1S(=O)(=O)F 100453954 HHNBKGKQPAGUFL-UHFFFAOYSA-N 189.211 1.235 70 40 ADIB in-vitro Cc1cc(S(=O)(=O)Cl)ccn1 103593138 YEVNZFBCVWXEBS-UHFFFAOYSA-N 191.639 1.318 70 40 ADIB Cc1ccc(NC(=O)CC(=N)N)cc1 217742189 VRSONHTZQZRIQG-UHFFFAOYSA-N 191.234 1.260 70 40 ADIB OB(Cc1ccccc1)c1ccccc1 195763409 LOGXWPUDXXRAMG-UHFFFAOYSA-N 196.058 1.659 70 40 ADIB C=CCCS(=O)(=O)Cl 100629186 FMLFRGLMOUTPLQ-UHFFFAOYSA-N 154.618 1.131 70 40 ADIB in-vitro C[C@H]1C[C@H](S(=O)(=O)Cl)CCO1 112132198 VROGUTHTGWATKA-NTSWFWBYSA-N 198.671 1.123 70 40 ADIB in-vitro O=C(NC1CCC1)c1ccncc1F 161431164 PKQBFYZHGZXKJK-UHFFFAOYSA-N 194.209 1.503 70 40 ADIB N#Cc1cncc([B-](F)(F)F)c1 169986537 YGGKSOBUMIDKRW-UHFFFAOYSA-N 170.910 1.008 70 40 ADIB O=S(=O)(F)c1cccc(F)c1 104512779 FBJGENMTNIFRBP-UHFFFAOYSA-N 178.159 1.484 70 40 ADIB in-vitro Cc1cnccc1S(=O)(=O)Cl 100003438 NPAYFVTWQZTTRV-UHFFFAOYSA-N 191.639 1.318 70 40 ADIB CC(C)[SiH2]C(C)C 199868187 DEHCLLRUWOGPJR-UHFFFAOYSA-N 116.280 1.812 70 40 ADIB N#Cc1ccc([B-](F)(F)F)nc1 203368981 OBBNANJTGNTVFO-UHFFFAOYSA-N 170.910 1.008 70 40 ADIB C[C@@H](C(=N)N)C1CCC1 217694449 KSMPPOGCZUKETO-RXMQYKEDSA-N 126.203 1.359 70 40 ADIB C=CCCCS(=O)(=O)Cl 104085635 MWMAHNLJLSYHDC-UHFFFAOYSA-N 168.645 1.521 70 40 ADIB in-vitro CCO/C=C\[SiH](C)C 201171044 CHUAPDSSSHQULB-WAYWQWQTSA-N 130.263 1.563 70 40 ADIB COCC1(c2nc(C)cc(O)n2)CC1 217795592 FCGOCRFRLXUFRG-UHFFFAOYSA-N 194.234 1.169 70 40 ADIB CCn1cc(NC2=NCCC2)cn1 217802619 JKZLYDPVHSCKJK-UHFFFAOYSA-N 178.239 1.507 70 40 ADIB Nc1cnn(-c2ccccc2)c1F 216715200 SKBMAUTVEWBOPG-UHFFFAOYSA-N 177.182 1.594 70 40 ADIB NC(=O)Cc1ccoc1C(F)F 217643223 LFJIKNRKPWIBSJ-UHFFFAOYSA-N 175.134 1.245 70 40 ADIB CC(C)[C@@H]1C[C@@H]1S(=O)(=O)Cl 100298960 OXZLFOVYZNVWAP-WDSKDSINSA-N 182.672 1.600 70 40 ADIB C[Si](C)F 196945440 JMEWTHPANUTEHG-UHFFFAOYSA-N 77.154 1.207 70 40 ADIB CN1CCN(CC[B-](F)(F)F)CC1 238297631 GTUHDDQBPXGQQN-UHFFFAOYSA-N 195.017 1.081 70 40 ADIB Cc1ccccc1NC(=O)CC(=N)N 217741959 DPOMCNRYLLCSDZ-UHFFFAOYSA-N 191.234 1.260 70 40 ADIB COC(OC)[SiH2]C1CCCCC1 199866868 NOXHSFLLJVATGM-UHFFFAOYSA-N 188.343 1.484 70 40 ADIB CC(C)[C@@H]1C[C@H]1S(=O)(=O)Cl 100298966 OXZLFOVYZNVWAP-NTSWFWBYSA-N 182.672 1.600 70 40 ADIB O=S(=O)(F)c1ccc(F)cc1F 105393569 OJWNNJCWEKRYRU-UHFFFAOYSA-N 196.149 1.623 70 40 ADIB N=C(N)CC(=O)Nc1ccc(F)cc1 217743742 PFFZXWCOPBLXSC-UHFFFAOYSA-N 195.197 1.090 70 40 ADIB Cc1cncnc1C(F)F 217651260 FXGVAYQFLWQONM-UHFFFAOYSA-N 144.124 1.723 70 40 ADIB CC1(C)CCN(S(=O)(=O)F)CC1 1776011252 WIVVTXJEDBPZRY-UHFFFAOYSA-N 195.259 1.323 70 40 ADIB C=C[SiH](C=C)C=C 201361872 XXXZWCUMMAZDMD-UHFFFAOYSA-N 110.232 1.389 70 40 ADIB COc1ccccc1S(=O)(=O)F 105391767 AODFKNQSBQPHLW-UHFFFAOYSA-N 190.195 1.353 70 40 ADIB Cc1nc([B-](F)(F)F)ccc1F 203368989 AQEAUCRGSAKZEK-UHFFFAOYSA-N 177.917 1.584 70 40 ADIB Cc1ccc(S(=O)(=O)Cl)cn1 100003433 TWKVSHBWJUMVDX-UHFFFAOYSA-N 191.639 1.318 70 40 ADIB in-vitro O=C1CCC(S(=O)(=O)Cl)CC1 100253583 IJOOLKIYFVIJNU-UHFFFAOYSA-N 196.655 1.067 70 40 ADIB in-vitro C[SiH](C)CC[SiH](C)C 195802182 YZJSARUCMYJHNV-UHFFFAOYSA-N 146.382 1.960 70 40 ADIB Cc1ccc(OS(=O)(=O)F)cc1 100477477 HDGCVZJQNVCZKP-UHFFFAOYSA-N 190.195 1.588 70 40 ADIB in-vitro Cc1csc(S(=O)(=O)Cl)n1 100262876 AXDLQRHZUNCOIV-UHFFFAOYSA-N 197.668 1.379 70 40 ADIB Cc1cc(S(=O)(=O)Cl)sn1 100215736 LJTRGHGACFEWIM-UHFFFAOYSA-N 197.668 1.379 70 40 ADIB O=C1[C@H]2CC[C@H](N3CCCC3)[C@H]1CC2 217556183 AQIRYCHYVBAVOC-MXWKQRLJSA-N 193.290 1.840 70 40 ADIB Nc1ccc(S(=O)(=O)Cl)cc1 96932768 MTOJDBAZGOYUOZ-UHFFFAOYSA-N 191.639 1.196 70 40 ADIB CCC(CC)CS(=O)(=O)F 100630836 NCUJMOAHSHSWCA-UHFFFAOYSA-N 168.233 1.722 70 40 ADIB in-vitro C[C@H](Cl)OS(=O)(=O)Cl 101234770 SMUHJMMCLGTTSJ-UWTATZPHSA-N 179.024 1.071 70 40 ADIB C[C@@H]1OC[C@H]1I 163856266 BISBBIPSCBEZHX-IUYQGCFVSA-N 198.003 1.209 70 40 ADIB Cc1nn(C)c(C)c1NC1=NCCC1 217803880 PZEURQDZAWBZBL-UHFFFAOYSA-N 192.266 1.641 70 40 ADIB F[B-](F)(F)[O+]1CCCC1 169747800 XYMZNNGTHKHCJH-UHFFFAOYSA-N 139.913 1.677 70 40 ADIB O=S(=O)(Cl)CCC(F)F 104453779 YOACIDRNEANCHK-UHFFFAOYSA-N 178.587 1.210 70 40 ADIB in-vitro CC(=O)Nc1cnn(C(F)(F)F)c1 217572215 QYHVTFWYNPSHSE-UHFFFAOYSA-N 193.128 1.318 70 40 ADIB N=[C]CC[B-](F)(F)F 1542984497 AAWVRIQJVDJQQF-UHFFFAOYSA-N 122.886 1.750 70 40 ADIB [N-]=[N+]=NC(=O)c1cncc(O)c1 13764320 MYYMQXJRABNCIG-UHFFFAOYSA-N 164.124 1.238 70 40 ADIB CCNc1ncncc1C(F)(F)F 218729558 IZAKIWCBMWTASW-UHFFFAOYSA-N 191.156 1.927 70 40 ADIB C[C@H]1C[C@@H](S(=O)(=O)Cl)CCO1 112132203 VROGUTHTGWATKA-WDSKDSINSA-N 198.671 1.123 70 40 ADIB in-vitro C=C[Si](C)(C)F 195758224 GYWIDSZAIGIHMH-UHFFFAOYSA-N 104.200 1.886 70 40 ADIB COCCCc1ccncn1 217788459 BMELGYMVNGMQMK-UHFFFAOYSA-N 152.197 1.056 70 40 ADIB O=S(=O)(F)Nc1ccccc1F 1776011159 AWYNJUJZXRCGOT-UHFFFAOYSA-N 193.174 1.452 70 40 ADIB CC(C)[C@H]1C[C@@H]1S(=O)(=O)Cl 100298963 OXZLFOVYZNVWAP-RITPCOANSA-N 182.672 1.600 70 40 ADIB O=S(=O)(Cl)c1ccccn1 72400364 JQJOGAGLBDBMLU-UHFFFAOYSA-N 177.612 1.009 70 40 ADIB in-vitro Cc1ccc([SiH](C)Cl)cc1 195773137 USIDTIURODLIFP-UHFFFAOYSA-N 170.715 1.794 70 40 ADIB C[C@]12CC[C@@H]3[C@@]1(C)C[C@@]32C(N)=O 217631279 ICSCOEXWDOAKFX-PRQTWWFRSA-N 165.236 1.298 70 40 ADIB Cc1ccncc1S(=O)(=O)Cl 100003431 OPYAPMZPZXAVTG-UHFFFAOYSA-N 191.639 1.318 70 40 ADIB in-vitro CNC(=O)c1cccc2c1CCN2 217518663 BLWBEYILKPZRMK-UHFFFAOYSA-N 176.219 1.014 70 40 ADIB Cc1cccc(S(=O)(=O)Cl)n1 100133493 YUWSYDYNEKIQLL-UHFFFAOYSA-N 191.639 1.318 70 40 ADIB O=S(=O)(Cl)[C@H](F)Cl 104536385 DKOVJPMKFAXRMD-SFOWXEAESA-N 166.988 1.047 70 40 ADIB Cc1ccc(CS(=O)(=O)F)cc1 59262389 HRBKXAXWOYMBCN-UHFFFAOYSA-N 188.223 1.794 70 40 ADIB CNc1nccc2occc12 218704106 JIRDGJLMAFOARK-UHFFFAOYSA-N 148.165 1.870 70 40 ADIB COC(=O)c1cc(C2CCC2)n[nH]1 217691970 GRGCGCNJYIZXFH-UHFFFAOYSA-N 180.207 1.464 70 40 ADIB COCCCc1cc(O)nc(C)n1 217785508 KLTVAYFHJKVKQG-UHFFFAOYSA-N 182.223 1.070 70 40 ADIB [N-]=[N+]=NC(=O)c1ccccc1N 196137540 JAJFUCFLLIKECX-UHFFFAOYSA-N 162.152 1.719 70 40 ADIB CC(C)(C)N[B-](F)(F)F 195793279 VJBYDZYBTALNSY-UHFFFAOYSA-N 139.937 1.719 70 40 ADIB CNc1cncnc1OC1CCCC1 217583384 XORQQCLCLLNANI-UHFFFAOYSA-N 193.250 1.840 70 40 ADIB C#CCOCC(=C)[B-](F)(F)F 200976015 RXUOMVXYHVTVOL-UHFFFAOYSA-N 162.927 1.579 70 40 ADIB Cc1ccc(S(=O)(=O)F)cc1C 103525244 WCVRBSQUWGOVMC-UHFFFAOYSA-N 188.223 1.962 70 40 ADIB F[B-](F)(F)CCC1OCCO1 205284593 RQNWXGVPEYFMOS-UHFFFAOYSA-N 168.931 1.597 70 40 ADIB Cc1ccc(S(=O)(=O)F)c(C)c1 105391369 YGHNBGCIJHSOKF-UHFFFAOYSA-N 188.223 1.962 70 40 ADIB O=S(=O)(F)c1ccc(O)cc1 78645639 FYIHSKNNTBQVMV-UHFFFAOYSA-N 176.168 1.050 70 40 ADIB in-vitro CC(C)(C)S(=O)(=O)Cl 100605176 WFBUQJSXXDVYFZ-UHFFFAOYSA-N 156.634 1.354 70 40 ADIB in-vitro CC[Si](F)(F)F 196266736 NHOREJPMXSLGGR-UHFFFAOYSA-N 114.142 1.854 70 40 ADIB CC(=O)c1cccc(OCC(=N)N)c1 217368924 UWPNKPZPQPVRFO-UHFFFAOYSA-N 192.218 1.204 70 40 ADIB C[C@H](CCl)CS(=O)(=O)Cl 100656479 YLVZLYQJWRKACU-SCSAIBSYSA-N 191.079 1.430 70 40 ADIB in-vitro C=CC[SiH](C)C 195764469 ZTFTVJBYCJNEGJ-UHFFFAOYSA-N 100.237 1.659 70 40 ADIB CCOc1ccc(C)cc1NC(N)=O 216876644 OTQFIJGNXUCGNN-UHFFFAOYSA-N 194.234 1.884 70 40 ADIB O=S(=O)(Cl)c1ccc(F)cn1 100253136 YPUCBCYWMHYLMA-UHFFFAOYSA-N 195.602 1.148 70 40 ADIB BrCC[C@@H]1CCO1 141401087 ZVDZWKMUYONCQC-RXMQYKEDSA-N 165.030 1.560 70 40 ADIB O=Cc1cccc(S(=O)(=O)F)c1 78820933 NQABFRYSIGLHOK-UHFFFAOYSA-N 188.179 1.157 70 40 ADIB N=C(N)CC(=O)Nc1ccccc1F 217743538 OJQLGDOLNIIDGV-UHFFFAOYSA-N 195.197 1.090 70 40 ADIB C[C@H]1CC[C@@](C)(C(N)=O)C1(C)C 217714383 PWQSVEFGVAGGSM-XVKPBYJWSA-N 169.268 1.934 70 40 ADIB Nc1cccc(S(=O)(=O)Cl)c1 100085005 MWBYQHMUGQBTCO-UHFFFAOYSA-N 191.639 1.196 70 40 ADIB C=CC[SiH](Cl)Cl 195764468 KPPHTHGHNJOVMY-UHFFFAOYSA-N 141.073 1.871 70 40 ADIB O=S(=O)(Cl)OC(F)=C(F)F 95676827 WCODVGWFRZCRDF-UHFFFAOYSA-N 196.533 1.522 70 40 ADIB C=C(C)CS(=O)(=O)Cl 100500307 DWAZFVPADZFXAQ-UHFFFAOYSA-N 154.618 1.131 70 40 ADIB in-vitro Cc1ccc(S(=O)(=O)F)cn1 257827472 HWTSIKARNIIXFX-UHFFFAOYSA-N 175.184 1.048 70 40 ADIB C[C@@H](Cl)OS(=O)(=O)Cl 101234773 SMUHJMMCLGTTSJ-REOHCLBHSA-N 179.024 1.071 70 40 ADIB COc1cc(C(F)F)ncn1 217641185 NSQGYHDRQFMUKX-UHFFFAOYSA-N 160.123 1.423 70 40 ADIB CC(C)OS(=O)(=O)C(F)(F)F 104369608 NDJBHBQUEAGIOB-UHFFFAOYSA-N 192.158 1.261 70 40 ADIB in-vitro O=C(NCC1CC1)c1ccncc1F 161426557 UIOWZZZUTLYFME-UHFFFAOYSA-N 194.209 1.361 70 40 ADIB C[C@@H](CCl)CS(=O)(=O)Cl 100656482 YLVZLYQJWRKACU-BYPYZUCNSA-N 191.079 1.430 70 40 ADIB in-vitro CC(C)c1nc2cnnc(O)c2o1 217722433 JMIHDNUREJFXMB-UHFFFAOYSA-N 179.179 1.447 70 40 ADIB F[B-](F)(F)C#CC1CC1 1083802239 IPKZUSRKACWOIW-UHFFFAOYSA-N 132.901 1.786 70 40 ADIB O=S(=O)(Cl)C1CC(F)C1 104453782 QGNOSMXTLHWVHM-UHFFFAOYSA-N 172.608 1.056 70 40 ADIB Cc1ncccc1S(=O)(=O)Cl 100003435 TZPQMFUKALLHAE-UHFFFAOYSA-N 191.639 1.318 70 40 ADIB CC(=O)n1ccc(C(=O)N=[N+]=[N-])c1 1857794231 HRSSRWKAQTXXHF-UHFFFAOYSA-N 178.151 1.599 70 40 ADIB Cc1ccc(CC(=O)N(C)C)c(N)c1 217776695 LQHRBCODNBFSRA-UHFFFAOYSA-N 192.262 1.208 70 40 ADIB O=S(=O)(F)CC1CCCCC1 100613189 OAADUJDYQWVARQ-UHFFFAOYSA-N 180.244 1.866 70 40 ADIB in-vitro Cc1ccnc(OC2CCOCC2)n1 218733467 LKSZWTFMLPYETA-UHFFFAOYSA-N 194.234 1.343 70 40 ADIB NC(=O)c1cncc(C(F)F)c1 217479270 XDCNDDSQOWNEQN-UHFFFAOYSA-N 172.134 1.118 70 40 ADIB [N-]=[N+]=NC(=O)c1ccoc1 37206944 HEPRNHUAJNVNDN-UHFFFAOYSA-N 137.098 1.730 70 40 ADIB in-vitro CON[C@@H](C)[C@H]1CC1(C)C 218694767 SEAUEFKDAYABJB-NKWVEPMBSA-N 143.230 1.572 70 40 ADIB Cc1cc(N)ccc1S(=O)(=O)F 100453752 NCUHHEVQJQXEST-UHFFFAOYSA-N 189.211 1.235 70 40 ADIB O=S(=O)(Cl)NC1CCCC1 59805022 BRLYCKMQJOQWPU-UHFFFAOYSA-N 183.660 1.002 70 40 ADIB in-vitro CCc1nc(O)cc(CCCOC)n1 217785608 NRSHKSQLBHPMPG-UHFFFAOYSA-N 196.250 1.324 70 40 ADIB Cc1ccc(C#N)cc1S(=O)(=O)F 103708913 CQRNWRMACANBEB-UHFFFAOYSA-N 199.206 1.525 70 40 ADIB O=S(=O)(Cl)c1cc(F)ccn1 100253141 MSLOKMZPIDTOAR-UHFFFAOYSA-N 195.602 1.148 70 40 ADIB C[C@@H]1OC[C@@H]1I 163856494 BISBBIPSCBEZHX-IMJSIDKUSA-N 198.003 1.209 70 40 ADIB O=S(=O)(F)CC(F)(F)Cl 100041123 LBNGUVWVXHFGSX-UHFFFAOYSA-N 182.550 1.117 70 40 ADIB CC(C)N1CCC2=C(CCC(=O)N2)C1 217545958 OOZGZOHSJMVNDR-UHFFFAOYSA-N 194.278 1.265 70 40 ADIB O=S(=O)(F)c1ccc(F)c(F)c1 105393566 XFVUPEXGWBBMEX-UHFFFAOYSA-N 196.149 1.623 70 40 ADIB O=S(=O)(Cl)c1cccc(F)n1 59283347 ZYYNYUDHGGZBOB-UHFFFAOYSA-N 195.602 1.148 70 40 ADIB C/C=C/S(=O)(=O)Cl 100451489 GZYRNGLILQCDRQ-NSCUHMNNSA-N 140.591 1.089 70 40 ADIB C=CCOS(=O)(=O)C(F)(F)F 112981469 XAWVLWQXWMTMGJ-UHFFFAOYSA-N 190.142 1.039 70 40 ADIB CCNC(=O)c1cccc2c1CCN2 217518341 GTGJNRVWIMVJBS-UHFFFAOYSA-N 190.246 1.404 70 40 ADIB CC1(C)SCCNC1=S 217722962 BMEZNRBZOOSHRQ-UHFFFAOYSA-N 161.295 1.429 70 40 ADIB C[Si](Cl)Cl 195814916 KTQYJQFGNYHXMB-UHFFFAOYSA-N 114.027 1.582 70 40 ADIB Cl[Si](Cl)c1ccccc1 195814903 XNAFLNBULDHNJS-UHFFFAOYSA-N 176.098 1.859 70 40 ADIB C=C[SiH](C)c1ccccc1 169743181 JNRFDZNGKYQSKV-UHFFFAOYSA-N 148.281 1.476 70 40 ADIB F[B-](F)(F)c1ccc(Cl)cn1 203369001 ZCMQOYRLGRTMDG-UHFFFAOYSA-N 180.345 1.789 70 40 ADIB O=S(=O)(F)C(F)=C(F)F 95686648 QARLOMBMXGVKNV-UHFFFAOYSA-N 164.079 1.321 70 40 ADIB CN1CCSC(C)(C)C1=S 217722844 MDJFSAMDKMOTDR-UHFFFAOYSA-N 175.322 1.771 70 40 ADIB OCc1ccc([B-](F)(F)F)cc1F 208611310 BNOSUDAEQFJXAR-UHFFFAOYSA-N 192.928 1.372 70 40 ADIB F[B-](F)(F)c1nc2ccccc2o1 238711732 FYKMSRCUDQGRLM-UHFFFAOYSA-N 185.921 1.882 70 40 ADIB CC#[N+]C[B-](F)(F)F 169747571 LSZKLVPLRVVMFE-UHFFFAOYSA-N 122.886 1.726 70 40 ADIB CCB(CC)n1cccn1 195791918 WDKUYXGIQYQJFZ-UHFFFAOYSA-N 136.007 1.763 70 40 ADIB COC(=O)c1ccn2cccc2c1O 217655686 AMJYQYOWPZWLAO-UHFFFAOYSA-N 191.186 1.432 70 40 ADIB CCc1ccccc1S(=O)(=O)F 104520315 HDUSATIAKUCNTR-UHFFFAOYSA-N 188.223 1.907 70 40 ADIB Fc1ncccc1[B-](F)(F)F 197150953 FTXFQPLFKIRKFC-UHFFFAOYSA-N 163.890 1.275 70 40 ADIB in-vitro Fc1cncc([B-](F)(F)F)c1 169747727 PZRRHUCJXBKFRX-UHFFFAOYSA-N 163.890 1.275 70 40 ADIB CCCCc1ccc(B(O)S)cn1 198972653 ZCHDCNBNLNJZHB-UHFFFAOYSA-N 195.096 1.042 70 40 ADIB CC(C)=C[SiH2]Cl 199863438 NTQLJFJHPPAPKV-UHFFFAOYSA-N 120.655 1.233 70 40 ADIB Cc1nc(F)sc1C 217717470 NSPJGEQGQOVSEC-UHFFFAOYSA-N 131.175 1.899 70 40 ADIB O=S(=O)(F)CCc1ccccc1 100641155 BXUZCKBEUHXHQB-UHFFFAOYSA-N 188.223 1.528 70 40 ADIB in-vitro C=C[SiH](Cc1ccccc1)OC 201244887 RNCBFWZBBVATQA-UHFFFAOYSA-N 178.307 1.864 70 40 ADIB CCS(=O)(=O)c1ccsc1N 217745087 QQJDTHYFNSSFHT-UHFFFAOYSA-N 191.277 1.124 70 40 ADIB Cl[Si](Cl)Cl 256067810 PPDADIYYMSXQJK-UHFFFAOYSA-N 134.445 1.688 70 40 ADIB CC(C)S(=O)(=O)Br 59200368 KXISIZDVFQWWDO-UHFFFAOYSA-N 187.058 1.120 70 40 ADIB CC(=O)c1ccccc1[B-](F)(F)F 238149998 YFUMQPGJCQURGM-UHFFFAOYSA-N 186.949 1.944 70 40 ADIB CCN(C(C)C)S(=O)(=O)Cl 59167853 XEKUITRZNQRMCB-UHFFFAOYSA-N 185.676 1.200 70 40 ADIB CCC(CC)S(=O)(=O)Cl 100626500 CVTFMAWCVJKVHP-UHFFFAOYSA-N 170.661 1.744 70 40 ADIB in-vitro F[B-](F)(F)CCN1CCOCC1 238703466 UEYUBJWHRPVLQC-UHFFFAOYSA-N 181.974 1.166 70 40 ADIB CC(C)c1noc(CN(C)C)n1 218595315 MTKCFIMZCDHHIP-UHFFFAOYSA-N 169.228 1.255 70 40 ADIB O=S(=O)(Cl)Nc1ccccc1 97977250 SGSHEKZPIDTZJQ-UHFFFAOYSA-N 191.639 1.582 70 40 ADIB C[C@@H]1C[C@H](S(=O)(=O)Cl)CCO1 112132195 VROGUTHTGWATKA-PHDIDXHHSA-N 198.671 1.123 70 40 ADIB in-vitro O=S(=O)(Cl)N1C2CCC1CC2 100888971 IAQIYXOJCYGIMC-UHFFFAOYSA-N 195.671 1.097 70 40 ADIB COc1ncncc1C(F)(F)F 218728796 UGKAZXLLNZEPRH-UHFFFAOYSA-N 178.113 1.504 70 40 ADIB Oc1ncnc(O)c1C1CCC1 217716770 JEDPBMATZKIXIZ-UHFFFAOYSA-N 166.180 1.155 70 40 ADIB C[C@H](CCCl)S(=O)(=O)Cl 104551983 VCFUHNZMYUUFGM-SCSAIBSYSA-N 191.079 1.572 70 40 ADIB CCc1cc[nH]c1C(=O)OC 217695247 GFUDJCLTPLCFGP-UHFFFAOYSA-N 153.181 1.364 70 40 ADIB Cc1occ(C(F)(F)F)c1C(N)=O 217608057 SBJMHNJMBRAJMJ-UHFFFAOYSA-N 193.124 1.706 70 40 ADIB OC1=NN=C(c2cccnc2)[C@@H]2C[C@@H]12 217831756 XNWBQHHTMQYWQJ-HTQZYQBOSA-N 187.202 1.392 70 40 ADIB CCCC(=O)c1c[nH]c(C(=O)OC)c1 217655453 CGYFJJOOAQWFFQ-UHFFFAOYSA-N 195.218 1.784 70 40 ADIB CCC[C@@H](C)CS(=O)(=O)F 100630830 RVEYUYIQKZYRJQ-ZCFIWIBFSA-N 168.233 1.722 70 40 ADIB in-vitro [SiH3]C(Cl)=C(Cl)Cl 201239511 GZRINHUGNAJALS-UHFFFAOYSA-N 161.491 1.195 70 40 ADIB CC(C)(C)NC(=S)N1CCCC1 216682646 FQABEVDHMHMSRG-UHFFFAOYSA-N 186.324 1.755 70 40 ADIB O=S(=O)(Cl)[C@@H](F)Cl 104536390 DKOVJPMKFAXRMD-PVQJCKRUSA-N 166.988 1.047 70 40 ADIB c1cnc2c(n1)[C@H]1CC[C@H]2C1 217623558 BWKAAGVTDSMIBF-BQBZGAKWSA-N 146.193 1.841 70 40 ADIB C[Si](Cl)c1ccccc1 195814901 IPAIXTZQWAGRPZ-UHFFFAOYSA-N 155.680 1.754 70 40 ADIB [N-]=[N+]=NC(=O)c1ccc2c(c1)OCO2 37206960 FSISZPWQLFHTPZ-UHFFFAOYSA-N 191.146 1.866 70 40 ADIB in-vitro CCCS(=O)(=O)Br 103603605 HLVVVMPXONYIGM-UHFFFAOYSA-N 187.058 1.121 70 40 ADIB CON[C@@H](C)[C@@H]1CC1(C)C 218694575 SEAUEFKDAYABJB-BQBZGAKWSA-N 143.230 1.572 70 40 ADIB CCNC(=O)Cc1cc(C)ccc1N 217783202 APFRFLFDHIWRMW-UHFFFAOYSA-N 192.262 1.256 70 40 ADIB CC(=O)c1ccc(OCC(=N)N)cc1 217371081 JDZGPVXLVZWXGQ-UHFFFAOYSA-N 192.218 1.204 70 40 ADIB C[C@H](C(F)(F)F)S(=O)(=O)Cl 97956524 NUUBIXUITNNERY-UWTATZPHSA-N 196.577 1.506 70 40 ADIB in-vitro CC(C)[C@H]1C[C@H]1S(=O)(=O)Cl 100298967 OXZLFOVYZNVWAP-PHDIDXHHSA-N 182.672 1.600 70 40 ADIB CNc1ccc(C(F)F)nn1 217642316 NQISMSBUPDRKTR-UHFFFAOYSA-N 159.139 1.456 70 40 ADIB C[C@@H](C(F)(F)F)S(=O)(=O)Cl 97956523 NUUBIXUITNNERY-REOHCLBHSA-N 196.577 1.506 70 40 ADIB in-vitro CC[C@H](C)CS(=O)(=O)F 100630835 LJDVBOOLADPRQH-YFKPBYRVSA-N 154.206 1.332 70 40 ADIB in-vitro CCn1cc(NC2=NCCC2)c(C)n1 217803570 KUVGBQLALKPCJN-UHFFFAOYSA-N 192.266 1.816 70 40 ADIB CC[C@@H](C)CS(=O)(=O)F 100630832 LJDVBOOLADPRQH-RXMQYKEDSA-N 154.206 1.332 70 40 ADIB in-vitro O=S(=O)(Cl)c1cccc(O)c1 101646516 KVJJEIFIJQCJSP-UHFFFAOYSA-N 192.623 1.320 70 40 ADIB in-vitro CCC[SiH2]C(Cl)Cl 205433850 AQOKYBQLEOWOHG-UHFFFAOYSA-N 157.116 1.745 70 40 ADIB Cc1ccc(CS(=O)(=O)Cl)o1 105289794 VBKOHUIUVNRZMV-UHFFFAOYSA-N 194.639 1.657 70 40 ADIB CCC(CC)CS(=O)(=O)Cl 100553570 YECMZAFVLJVACL-UHFFFAOYSA-N 184.688 1.991 70 40 ADIB CC[O+](CC)[B-](F)(F)F 169743049 MZTVMRUDEFSYGQ-UHFFFAOYSA-N 141.929 1.923 70 40 ADIB Cc1ccc(O)c(S(=O)(=O)F)c1 105309642 QLBFPHCSJHIZKF-UHFFFAOYSA-N 190.195 1.359 70 40 ADIB CCCCC[SiH2] 604936643 QUABGXWJEGRAFL-UHFFFAOYSA-N 101.245 1.228 70 40 ADIB O=S(=O)(Cl)c1nccs1 72400621 HYJQWMUBCRPGDS-UHFFFAOYSA-N 183.641 1.071 70 40 ADIB in-vitro N=C(N)CC(=O)Nc1cccc(F)c1 217743630 PCHHBKLSEMTCCG-UHFFFAOYSA-N 195.197 1.090 70 40 ADIB C[Si](C)(F)CCCN 203310160 MYYHQYQIMDUNNW-UHFFFAOYSA-N 135.258 1.510 70 40 ADIB