smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1CN(/C(=C/C#N)c2ccccc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000371695921 267033885 /nfs/dbraw/zinc/03/38/85/267033885.db2.gz ZJOYRFVQWKYOHV-UZHQLRPZSA-N 2 2 324.472 2.651 20 50 DFGDLP