smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)c1ccc(C(O)(c2ccccc2)c2ccc([N+](C)(C)C)cc2)cc1 ZINC000005377525 204129802 /nfs/dbraw/zinc/12/98/02/204129802.db2.gz NCUDHIBGDZGXHU-UHFFFAOYSA-N 2 0 376.544 4.364 10 10 GICERP CCOc1cccc(C[N@H+](CCc2ccccc2)C[C@@H]2CCC[NH+](C)C2)c1O ZINC000011843894 221132590 /nfs/dbraw/zinc/13/25/90/221132590.db2.gz HKDAWZYHOAOONS-OAQYLSRUSA-N 2 0 382.548 4.177 10 10 GICERP