smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CCCC(=O)NNC(=O)C(=O)[O-] 1605642855 974007804 /nfs/dbraw/zinc/00/78/04/974007804.db2.gz GLSQSZXCHAQZFY-UHFFFAOYSA-N 0 0 189.171 -2.043 20 50 AAGDRN [NH3+]CC(=O)NNC(=O)C(=O)[O-] 1605643465 974014704 /nfs/dbraw/zinc/01/47/04/974014704.db2.gz VNWGAWKTWHENDE-UHFFFAOYSA-N 0 0 161.117 -2.823 20 50 AAGDRN