smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COC(=O)[C@H]1C(OS(=O)(=O)C(F)(F)F)=CCN1C(c1ccccc1)(c1ccccc1)c1ccccc1 116616024 IUUAVQDOQNHUFZ-HSZRJFAPSA-N 517.525 4.586 70 20 KJID O=C(CCC(=O)N1Cc2ccccc2C#Cc2ccccc21)NCCOCCOCCOCCOCCC(=O)Oc1c(F)c(F)c(F)c(F)c1F 1857523845 MNKQVEFOUCBMRZ-UHFFFAOYSA-N 718.672 4.587 70 20 KJID COC(=O)[C@@H]1C(OS(=O)(=O)C(F)(F)F)=CCN1C(c1ccccc1)(c1ccccc1)c1ccccc1 116616026 IUUAVQDOQNHUFZ-QHCPKHFHSA-N 517.525 4.586 70 20 KJID O=S(=O)(Oc1ccc(Br)c2c(OS(=O)(=O)C(F)(F)F)ccc(Br)c12)C(F)(F)F 1857776920 WHSXGZVVNYGFJD-UHFFFAOYSA-N 582.088 4.822 70 20 KJID