smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCP(CCCCC)[NH+](CC)CC ZINC000002810055 631783830 /nfs/dbraw/zinc/78/38/30/631783830.db2.gz NUDOLKGOPDBLLV-UHFFFAOYSA-N 1 1 245.391 5.106 50 0 BKAAMO