smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)N1NC=C2C[NH+]=C(NNC=C3C(=O)[N-]C(=S)NC3=O)N=C21 ZINC000732306261 658057393 /nfs/dbraw/zinc/05/73/93/658057393.db2.gz MSAIRVAEACSLPQ-UHFFFAOYSA-N 0 1 362.419 -1.234 20 10 FACDMN