smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCN1C(=O)C(=Cc2c(O)n(CC)c(=O)n(CC)c2=O)C(=O)N(CC)C1=O 4375894 VVBRTOUFHYGBAS-UHFFFAOYSA-N 378.385 -0.031 10 30 GBCC COC(=O)C1=NN(c2cc(S(=O)(=O)O)ccc2S(=O)(=O)O)C(=O)C1 96327070 UNUDYUCUVWMLKN-UHFFFAOYSA-N 378.340 -0.554 10 30 GBCC