smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN1CCN(c2c(CN(CCCOC)C(=O)c3cccc([N+](=O)[O-])c3)c(C)nn2-c2ccccc2)CC1 ZINC000034835129 554019510 /nfs/dbraw/zinc/01/95/10/554019510.db2.gz DIQIEBHKFAZMKM-UHFFFAOYSA-N 0 1 520.634 3.910 10 5 KHBEMN