smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[PH+](CC)CCC[PH+](CC)CC ZINC000002559890 187410484 /nfs/dbraw/zinc/41/04/84/187410484.db2.gz UDQOBFJTYHSIPJ-UHFFFAOYSA-N 2 0 220.277 4.420 50 0 BIAARP CC[PH+](CC)CC[PH+](CC)CC ZINC000002560584 342724170 /nfs/dbraw/zinc/72/41/70/342724170.db2.gz MIOCUERTSIJEDP-UHFFFAOYSA-N 2 0 206.250 4.030 50 0 BIAARP