smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(N2CC[NH+](CCCNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC2)cc1 ZINC001219963590 1067349377 /nfs/dbraw/zinc/34/93/77/1067349377.db2.gz ZZTPUGIMINRHAZ-UHFFFAOYSA-N 2 0 477.566 -2.369 20 10 JACDRP