smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N+](CC)(CC)CC[N+](CC)(CC)CCCCC(=O)O[C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO[P@](=O)([O-])O ZINC000027888969 561889644 /nfs/dbraw/zinc/88/96/44/561889644.db2.gz JJEDGFIYWWCVMY-RBZQAINGSA-P 1 2 606.698 2.057 10 5 KEBELO CC[N+](CC)(CC)CC[N+](CC)(CC)CCCCC(=O)O[C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO[P@@](=O)([O-])O ZINC000027888969 561889642 /nfs/dbraw/zinc/88/96/42/561889642.db2.gz JJEDGFIYWWCVMY-RBZQAINGSA-P 1 2 606.698 2.057 10 5 KEBELO