smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)Cc1cc(C(C)(C)C)cc(C[NH2+]C2CCCCC2)c1O ZINC000001679494 563290486 /nfs/dbraw/zinc/29/04/86/563290486.db2.gz PRTJCGANEKRDJW-UHFFFAOYSA-N 2 1 318.505 4.174 40 10 in-vitro DICBMP C[NH+](C)Cc1cc(C(C)(C)CC(C)(C)C)cc(C[NH+](C)C)c1O ZINC000001706381 563292747 /nfs/dbraw/zinc/29/27/47/563292747.db2.gz NOCZUJDWKXXYKK-UHFFFAOYSA-N 2 1 320.521 4.229 40 10 DICBMP