smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1cc2cc3ccc(OCCC[NH+]4CCCCC4)cc3[nH+]c2cc1OCCC[NH+]1CCCCC1 ZINC000029416915 563103764 /nfs/dbraw/zinc/10/37/64/563103764.db2.gz PGHVEWRWACYJGD-UHFFFAOYSA-N 3 2 461.650 5.898 10 5 JKBELP Nc1cc2[nH+]c3cc(Nc4ccccc4)c(Nc4ccccc4)cc3[n+](-c3ccccc3)c2cc1N ZINC000025668765 556229076 /nfs/dbraw/zinc/22/90/76/556229076.db2.gz LEVWPOFWBQVLNQ-UHFFFAOYSA-O 2 2 469.572 6.316 10 5 JKBELP