smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1[N-]C(=S)NC(=O)C1=Cc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)cc1 ZINC000001621541 206387450 /nfs/dbraw/zinc/38/74/50/206387450.db2.gz XCWNXFLFZLFHAB-UHFFFAOYSA-N -2 3 386.414 -0.485 40 10 GBCBHL