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]1[C@@H](C)[C@](O)(CCl)C(=O)O[C@H]2CC[N+]3([O-])CC=C(COC(=O)[C@]1(C)O)[C@H]23 ZINC000238743657 717162352 /nfs/dbraw/zinc/16/23/52/717162352.db2.gz UHJFDRHZOBLJTP-MPLAGVBMSA-N 0 0 403.859 0.475 1 50 HCGFRN C[C@@H]1[C@@H](C)[C@](O)(CCl)C(=O)O[C@@H]2CC[N+]3([O-])CC=C(COC(=O)[C@]1(C)O)[C@H]23 ZINC000238746938 717162363 /nfs/dbraw/zinc/16/23/63/717162363.db2.gz UHJFDRHZOBLJTP-RYCCMMSXSA-N 0 0 403.859 0.475 1 50 HCGFRN