smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000084398013 564068065 /nfs/dbraw/zinc/06/80/65/564068065.db2.gz WFDIIZCCVXSMBO-UHFFFAOYSA-N 2 0 345.487 3.725 50 5 EHBARP C[N+]1(CC(C[N+]2(C)CCCCC2)OCc2ccccc2)CCCCC1 ZINC000100703039 219105256 /nfs/dbraw/zinc/10/52/56/219105256.db2.gz DXDXEYWZYUHFKI-UHFFFAOYSA-N 2 0 346.559 3.833 50 5 EHBARP