smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#[N+]CC(=O)C1(C(=O)C[N+]#N)CC1 5837008 534974454 /nfs/dbraw/zinc/97/44/54/534974454.db2.gz XEFLXSCUSQPHGX-UHFFFAOYSA-N 2 1 178.151 -0.494 40 10 ABCBMP