smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@@H+](CCC[NH3+])Cc1c2ccccc2cc2ccccc21 ZINC000021994734 171347226 /nfs/dbraw/zinc/34/72/26/171347226.db2.gz IQEIPNQGUAMOCC-UHFFFAOYSA-N 2 1 292.426 4.164 1 5 CIBFMP