smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 216843474 QIFZHROTFGFXPU-UHFFFAOYSA-N 443.507 -0.891 70 40 IBIB Cn1cc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc4oc(=O)[nH]c4c3)CC2)cn1 217972208 GNEFMNOCLVEMFO-UHFFFAOYSA-N 441.491 -0.060 70 40 IBIB CC(=O)Nc1ncc(S(=O)(=O)N2CCCN(S(=O)(=O)c3cnn(C)c3)CC2)s1 217972652 MDAIXEWPLZSZQS-UHFFFAOYSA-N 448.552 -0.080 70 40 IBIB