smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+]1(CC[N@@H+](Cc2ccccc2)C2CCCCC2)CCCCC1 ZINC000033878379 717122901 /nfs/dbraw/zinc/12/29/01/717122901.db2.gz TYGXHMPKLSPQSW-UHFFFAOYSA-N 2 1 315.525 4.452 10 5 DIBEMP