smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(C)(C)OC(=O)N1CCCN(c2nccc(OS(=O)(=O)C(F)(F)F)n2)CC1 2265360977 GMNFVOSWRXBDMQ-UHFFFAOYSA-N 426.417 2.152 70 30 IEIC CC(C)(C)OC(=O)N[C@H]1CCCN(c2nccc(OS(=O)(=O)C(F)(F)F)n2)C1 2265360991 UKFGAHMYGNZWLV-JTQLQIEISA-N 426.417 2.199 70 30 IEIC CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nccc(OS(=O)(=O)C(F)(F)F)n2)C1 2265360992 UKFGAHMYGNZWLV-SNVBAGLBSA-N 426.417 2.199 70 30 IEIC CN(CC1CN(C(=O)OC(C)(C)C)C1)c1nccc(OS(=O)(=O)C(F)(F)F)n1 2265360994 XZASYIMIGKUXHD-UHFFFAOYSA-N 426.417 2.008 70 30 IEIC