smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N=C(N=NN[NH+]=C(N)N)NNN=O 103569186 169139919 /nfs/dbraw/zinc/13/99/19/169139919.db2.gz JQSQHAYDQDDZFG-UHFFFAOYSA-N 1 0 188.155 -1.948 40 10 AACBRO