smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc1I ZINC000020220043 558348857 /nfs/dbraw/zinc/34/88/57/558348857.db2.gz HOEODVLFWNDQMB-VMPITWQZSA-N -1 1 402.213 2.397 10 10 HECEMM