smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features FC(F)C(F)(F)C(F)(F)C(F)(F)[Si](Cl)(Cl)Cl 195762715 MYZMPPUVPXNBEL-UHFFFAOYSA-N 335.481 4.352 70 30 EIIC CC(C)(C)OC(=O)N1CC[C@@](C[B-](F)(F)F)(c2ccccc2)C1 2265385322 IGZZSNBCZZUDOU-INIZCTEOSA-N 328.163 4.413 70 30 EIIC O=S(=O)(Cl)c1ccc(-c2ccc(Br)s2)s1 1554713952 GKDWRVQHIMEGLE-UHFFFAOYSA-N 343.676 4.167 70 30 EIIC C=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)OCC 110029324 CSBVTBMMUALAOW-UHFFFAOYSA-N 346.410 4.333 70 30 EIIC CCCC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1 100036624 XWWBUOZFYYYPJG-UHFFFAOYSA-N 346.410 4.152 70 30 EIIC CC(C)(C)[Si](C)(C)n1ccc2c(S(=O)(=O)Cl)cccc21 238856165 VEQXIFOMHICKOD-UHFFFAOYSA-N 329.925 4.422 70 30 EIIC ClCCSCCSCCSCCSCCCl 136148366 VDDUIWFFQHAVEB-UHFFFAOYSA-N 339.444 4.397 70 30 EIIC O=S(=O)(Cl)c1ccc(Oc2ccccc2)c(Br)c1 100560953 XURBYIXGZMOEFF-UHFFFAOYSA-N 347.617 4.169 70 30 EIIC in-vitro CC(C)(C)OC(=O)N1CC[C@](C[B-](F)(F)F)(c2ccccc2)C1 2265385323 IGZZSNBCZZUDOU-MRXNPFEDSA-N 328.163 4.413 70 30 EIIC