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)CCC(CC[NH+](C)C)=NOC(=O)c1ccccc1 ZINC000005891981 170150797 /nfs/dbraw/zinc/15/07/97/170150797.db2.gz CUVJPWMBRGTWSJ-UHFFFAOYSA-N 2 0 291.395 2.103 1 30 CEEFRP