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]1C[C@H](C)C[N@@H+]([C@H]2CCCCC2=NNC(=O)C[N+](C)(C)C)C1 ZINC000794457587 717190395 /nfs/dbraw/zinc/19/03/95/717190395.db2.gz SPYSWNHXKFFOHS-UXLLHSPISA-O 2 1 323.505 2.085 20 50 DEGDMP C[C@@H]1C[C@H](C)C[N@@H+]([C@@H]2CCCCC2=NNC(=O)C[N+](C)(C)C)C1 ZINC000794457581 717190301 /nfs/dbraw/zinc/19/03/01/717190301.db2.gz SPYSWNHXKFFOHS-HLLBOEOZSA-O 2 1 323.505 2.085 20 50 DEGDMP