smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc2c(c1)[nH+]c1c3ccccc3nc(-c3ccccc3N)n21 ZINC000006061947 181310169 /nfs/dbraw/zinc/31/01/69/181310169.db2.gz HZQPPZUQPLWLDV-UHFFFAOYSA-N 1 2 324.387 4.593 40 5 DJBBLO S=C(Nc1ccc2cc3ccccc3[nH+]c2c1)N1CCCCC1 ZINC000007098848 563921890 /nfs/dbraw/zinc/92/18/90/563921890.db2.gz UPFZHCBJNIEYBZ-UHFFFAOYSA-N 1 2 321.449 4.571 40 5 DJBBLO