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(NC(N)=[NH2+])Nc1cccc(NC(=N)NC(N)=[NH2+])c1 ZINC000169571143 373018899 /nfs/dbraw/zinc/01/88/99/373018899.db2.gz LUJFXVZOWJTVDK-UHFFFAOYSA-N 2 3 276.308 -1.874 10 30 CAEEHP