smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CC[C@]1([N+](=O)[O-])C=CN=CC1 5566624 169196560 /nfs/dbraw/zinc/19/65/60/169196560.db2.gz ZDIFPEMIUPUPQT-ZETCQYMHSA-N 2 0 169.184 0.339 1 5 ACBFRP C[N+](C)(C)/C=C/CCC[NH3+] 14649403 717110620 /nfs/dbraw/zinc/11/06/20/717110620.db2.gz DJQUAQXUOCSPQV-SOFGYWHQSA-N 2 0 143.254 0.945 1 5 ACBFRP