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[NH2+]CCCCCCNC(=O)c1cccc2cc3ccccc3nc21 ZINC000040472166 494143942 /nfs/dbraw/zinc/14/39/42/494143942.db2.gz UNTBMCNRKBFMGD-UHFFFAOYSA-N 2 1 364.493 3.227 40 5 FGBBMP