smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1NC(=O)C(=NNC(=S)N(CCO)CCO)C(=O)N1 ZINC000001882523 545658451 /nfs/dbraw/zinc/65/84/51/545658451.db2.gz FOCDBURTATVXCF-UHFFFAOYSA-N 0 2 303.300 -3.131 50 30 DAEALN