smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1ccc(C[NH2+]CC[NH2+]CCO)cc1 ZINC000022076649 136208464 /nfs/dbraw/zinc/20/84/64/136208464.db2.gz MLXGUTQIPGJYFE-UHFFFAOYSA-N 2 2 237.347 0.424 50 10 BCCALP