smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCN(C(=O)C(=NNc2ccc(C(N)=O)cc2)C(N)=S)CC1 ZINC000025177287 379166233 /nfs/dbraw/zinc/16/62/33/379166233.db2.gz LMGJMWVHJWXGSB-XDHOZWIPSA-N 1 1 348.432 -0.387 2 30 EBEFMO