smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH2+]CCC[N+](C)(C)CCC[N@@H+](C)CCCC[C@H]([NH3+])C(=O)[O-] ZINC000238747143 717162036 /nfs/dbraw/zinc/16/20/36/717162036.db2.gz WNXPSYBBCKSHPR-HNNXBMFYSA-O 3 1 317.498 0.576 1 5 DCBFMP