smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCCC/C(Br)=C/[B-](F)(F)F 198064069 PXYBVBLPCQVKHT-WAYWQWQTSA-N 229.856 3.842 70 50 BHIA in-vitro F[B-](F)(F)c1ccc(-c2cccs2)s1 238711494 COULVGRJLIBYSN-UHFFFAOYSA-N 233.068 3.531 70 50 BHIA IB1C2CCCC1CCC2 170155319 YAYIUFDUYUYPJC-UHFFFAOYSA-N 247.916 3.521 70 50 BHIA C[Si](Cl)(Cl)CCc1ccccc1 169811092 IDEKNJPMOJJQNQ-UHFFFAOYSA-N 219.187 3.779 70 50 BHIA CC(C)(C)[Si](Cl)(Cl)c1ccccc1 195767006 OCXPCSGIIJESOA-UHFFFAOYSA-N 233.214 3.614 70 50 BHIA F[B-](F)(F)Cc1ccc2ccccc2c1 217048816 GDGUBPMHNKUJAI-UHFFFAOYSA-N 208.999 3.769 70 50 BHIA Cl[Si](Cl)(Cl)[C@@H]1C[C@H]2CC[C@H]1C2 247962298 FMUGJGVGEWHETE-LYFYHCNISA-N 229.610 3.832 70 50 BHIA F[B-](F)(F)Cc1ccccc1OC(F)(F)F 380939720 LYNKXXJGOWRFCU-UHFFFAOYSA-N 242.935 3.514 70 50 BHIA Cl[Si](Cl)(Cl)C1CCCC1 169746956 FCMZRNUHEXJWGB-UHFFFAOYSA-N 203.572 3.586 70 50 BHIA in-vitro Cl[Si](Cl)(Cl)[C@H]1C[C@H]2CC[C@H]1C2 169811058 FMUGJGVGEWHETE-ACZMJKKPSA-N 229.610 3.832 70 50 BHIA F[B-](F)(F)Cc1ccc(OC(F)(F)F)cc1 170019589 PSXPZTWITIYYHH-UHFFFAOYSA-N 242.935 3.514 70 50 BHIA Cl[Si](Cl)(Cl)CCc1ccccc1 169743498 FMYXZXAKZWIOHO-UHFFFAOYSA-N 239.605 3.884 70 50 BHIA in-vitro F[B-](F)(F)c1ccc(Oc2ccccc2)cc1 169965514 FBLATLADIDLUGF-UHFFFAOYSA-N 237.009 3.533 70 50 BHIA in-vitro F[B-](F)(F)Cc1ccc(Cl)cc1Cl 169965592 LYRYKKSCDDFTLE-UHFFFAOYSA-N 227.829 3.923 70 50 BHIA CC(=O)c1cc(Br)cc(C(C)C)c1 217085938 GVJNBGPRRRHQGL-UHFFFAOYSA-N 241.128 3.775 70 50 BHIA F[B-](F)(F)Cc1cccc(C(F)(F)F)c1 203424018 BLXWTZBXJWUNSU-UHFFFAOYSA-N 226.936 3.635 70 50 BHIA C[Si](C)(Cl)CC[Si](C)(C)Cl 169743156 VGQOKOYKFDUPPJ-UHFFFAOYSA-N 215.272 3.874 70 50 BHIA C[SiH](C[Si](C)(C)C)C[Si](C)(C)C 169817421 TYLBDZLHYORWJA-UHFFFAOYSA-N 218.565 3.598 70 50 BHIA C(=NC1CCCCC1)=NC1CCCCC1 8585900 QOSSAOTZNIDXMA-UHFFFAOYSA-N 206.333 3.826 70 50 BHIA in-vitro,metabolite Fc1cc([B-](F)(F)F)ccc1-c1ccccc1 169745721 DULMLPDEUKUABS-UHFFFAOYSA-N 239.000 3.547 70 50 BHIA Oc1ccc(-c2nccc(C3CCCC3)n2)cc1 217462148 RVCXQPXWQCCJKI-UHFFFAOYSA-N 240.306 3.507 70 50 BHIA F[B-](F)(F)c1ccc(C2CCCCC2)cc1 169806175 LXNGGPFIOFFKNW-UHFFFAOYSA-N 227.058 3.789 70 50 BHIA CCCCC[Si](Cl)(Cl)Cl 169743508 KWDQAHIRKOXFAV-UHFFFAOYSA-N 205.588 3.832 70 50 BHIA in-vitro CCCn1c(=N)sc2cc(C(C)C)ccc21 217430866 UAXMFSQFORNSHE-UHFFFAOYSA-N 234.368 3.716 70 50 BHIA CCc1ccc(-c2ccc([B-](F)(F)F)cc2)cc1 169965218 SKCZRTSCCKRSGD-UHFFFAOYSA-N 249.064 3.970 70 50 BHIA CCCCCCCC[SiH2]C(Cl)Cl 206572599 JDDXPHRZLYCGCC-UHFFFAOYSA-N 227.251 3.695 70 50 BHIA F[B-](F)(F)CC1CC(OCc2ccccc2)C1 208327111 GRNKXRZXOZHGEB-UHFFFAOYSA-N 243.057 3.829 70 50 BHIA F[B-](F)(F)c1ccccc1Oc1ccccc1 170164540 KTUNQFHAUBVZLQ-UHFFFAOYSA-N 237.009 3.533 70 50 BHIA F[B-](F)(F)/C=C(\Br)c1ccccc1 198064084 SVCUAWAUOWOHCY-VURMDHGXSA-N 249.846 3.809 70 50 BHIA CCCCCCCCCCS(=O)(=O)Cl 100025877 WCKKWABZCCKDTN-UHFFFAOYSA-N 240.796 3.696 70 50 BHIA FC(F)(F)CC[Si](Cl)(Cl)Cl 169746959 WEUBQNJHVBMUMD-UHFFFAOYSA-N 231.504 3.594 70 50 BHIA in-vitro Cl[Si](Cl)(Cl)C1CCCCC1 169744938 SIPHWXREAZVVNS-UHFFFAOYSA-N 217.599 3.976 70 50 BHIA in-vitro CCCCCCC(=O)Nc1ccccc1C(C)=O 161179403 WQYZHSBCHDNNIU-UHFFFAOYSA-N 247.338 3.798 70 50 BHIA