smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCn1c2ccccc2[nH+]c1CCCCCC ZINC000073195629 191290092 /nfs/dbraw/zinc/29/00/92/191290092.db2.gz CBQJJNXRAGAMLP-UHFFFAOYSA-N 1 2 300.490 6.130 1 30 DKEFLO CC(C)(C)Cc1c(-c2ccc(C#N)cc2)[nH+]c2ccc(Cl)cn21 ZINC000061921026 184195690 /nfs/dbraw/zinc/19/56/90/184195690.db2.gz GWBRRVNPJBNXMW-UHFFFAOYSA-N 1 2 323.827 5.115 3 30 DKEFLO