smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[N+](C)(C)NCCC(=O)[O-] 34156334 717123915 /nfs/dbraw/zinc/12/39/15/717123915.db2.gz PJAVSKUCFLPEJZ-UHFFFAOYSA-O 0 1 175.252 0.451 1 5 ACBFMN C[N+](C)(C)CCC[P@H](=O)[O-] 98209378 717142005 /nfs/dbraw/zinc/14/20/05/717142005.db2.gz WOSBPQBJRYGKCZ-UHFFFAOYSA-O 0 1 166.181 0.550 1 5 in-vitro ACBFMN C[N+](C)(C)CCC[P@](=O)([O-])O 114975879 717149622 /nfs/dbraw/zinc/14/96/22/717149622.db2.gz KHVXWGVASMNWMH-UHFFFAOYSA-O 0 1 182.180 0.260 1 5 ACBFMN CC[N+](C)(CC)NCCC(=O)[O-] 169307003 717155427 /nfs/dbraw/zinc/15/54/27/717155427.db2.gz IQPYBQFYFVULAM-UHFFFAOYSA-O 0 1 175.252 0.452 1 5 ACBFMN