smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]C[C@@H](O)[NH2+][C@@H]1C=CCCCCC1 169330812 169204781 /nfs/dbraw/zinc/20/47/81/169204781.db2.gz YUGSZDSFLQDKQA-NXEZZACHSA-N 2 2 184.283 0.742 1 0 ACAFLP [NH3+]C[C@H](O)[NH2+][C@@H]1C=CCCCCC1 169330816 169214091 /nfs/dbraw/zinc/21/40/91/169214091.db2.gz YUGSZDSFLQDKQA-ZJUUUORDSA-N 2 2 184.283 0.742 1 0 ACAFLP