smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C[C@@H](CI)[C@H]1CC[C@]2(C)C(OS(=O)(=O)C(F)(F)F)=CCC[C@@H]12 97978044 PCIJUJJHXZXOQM-NOHGZBONSA-N 452.276 4.634 70 30 JJIC in-vitro CCOP(=O)(CC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1)OCC 109249637 QZUFVLBIPSARFK-UHFFFAOYSA-N 454.443 4.618 70 30 JJIC C[C@@H](CI)[C@H]1CC[C@]2(C)C(OS(=O)(=O)C(F)(F)F)=CCC[C@H]12 97978043 PCIJUJJHXZXOQM-WGBDABJCSA-N 452.276 4.634 70 30 JJIC in-vitro Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2[C@@H]1CCCN(C(=O)CCCl)C1 116669447 VJQOEGZWPHTCTQ-GOSISDBHSA-N 476.968 4.660 70 30 JJIC in-vitro