DGHYD

The following files contain small molecules in MOL2 format consisting of 460 neutral compounds, 42 polyatomic ions, and 11 monatomic ions as described in Rizzo et al. JCTC 2006 2 (1), 128-139 [1]

Note: The experimental free energy of hydration data for compound 253 (hexafluoropropene) has been corrected since publication.

Charge Model	Filename
AM1-BCC	supporting.am1bcc.mol2
AM1-CM2	supporting.am1cm2.mol2
CHELPG	supporting.chelpg.mol2
Gasteiger	supporting.gast.mol2
MMFF94	supporting.mmff94.mol2
Monoatomics	supporting.monoatomics.mol2
MSK	supporting.msk.mol2
PM3-CM2	supporting.pm3cm2.mol2
RESP	supporting.resp.mol2