smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](OS(=O)(=O)C(F)(F)F)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](O)C(C)=C1C2(C)C 77319791 QYAFUEYJDVYQHM-VHLOTGQHSA-N 718.696 2.527 70 30 KFIC in-vitro O=S(=O)(Cl)c1ccc2c(c1)OCCOCCOc1cc(S(=O)(=O)Cl)ccc1OCCOCCO2 196669906 KZMYFLPILKADNK-UHFFFAOYSA-N 557.426 2.804 70 30 KFIC CCCn1c(=O)c2[nH]c(C3CCCC3)nc2n(CCCOC(=O)c2ccc(S(=O)(=O)F)cc2)c1=O 8034243 XJLGXHIRSHTRPQ-UHFFFAOYSA-N 506.556 2.859 70 30 KFIC