smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)CS(=O)(=O)F)[C@@H](C)O 95564781 JTPPMKLSQHDJJD-NDKCEZKHSA-N 397.513 0.056 70 1 GCIF Nc1ncnc2c1ncn2CCCNC(=O)c1ccc(S(=O)(=O)F)cc1 1857644344 JZXYQYYFJXLMJZ-UHFFFAOYSA-N 378.389 0.887 70 1 GCIF NS(=O)(=O)c1ccc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)cc1 217125425 HQZREDHOWCMDHT-KRWDZBQOSA-N 389.477 0.483 70 1 GCIF