smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=S)NNC=C1C(=O)NC(=O)NC1=O ZINC000096930169 181318920 /nfs/dbraw/zinc/31/89/20/181318920.db2.gz ADJGUAQVRDIQLP-UHFFFAOYSA-N 0 2 229.221 -1.586 1 10 BACFLN