Table 1.
SAMPL ID | 565 | 566 | 561 | Exp |
---|---|---|---|---|
FreeformSolvNoSym | FreeformSolv | OmegaZAP | ||
SAMPL4_001 | −19.28 | −19.40 | −24.30 | −23.62 |
SAMPL4_002 | −2.70 | −2.91 | −3.47 | −2.49 |
SAMPL4_003 | −4.47 | −4.49 | −4.98 | −4.78 |
SAMPL4_004 | −4.58 | −4.59 | −5.04 | −4.45 |
SAMPL4_005 | −3.44 | −3.43 | −5.51 | −5.33 |
SAMPL4_006 | −4.96 | −4.95 | −5.13 | −5.26 |
SAMPL4_009 | −8.38 | −8.89 | −9.46 | −8.24 |
SAMPL4_010 | −5.21 | −5.87 | −5.34 | −6.24 |
SAMPL4_011 | −8.20 | −8.15 | −8.42 | −7.78 |
SAMPL4_012 | −2.77 | −2.84 | −2.88 | −3.75 |
SAMPL4_013 | −4.55 | −4.66 | −4.75 | −4.44 |
SAMPL4_014 | −3.75 | −3.77 | −3.88 | −4.09 |
SAMPL4_015 | −2.80 | −2.89 | −3.02 | −4.51 |
SAMPL4_016 | −2.97 | −3.05 | −3.07 | −3.20 |
SAMPL4_017 | −2.13 | −2.25 | −2.28 | −2.53 |
SAMPL4_019 | −2.92 | −2.93 | −3.05 | −3.78 |
SAMPL4_020 | −2.72 | −2.75 | −2.90 | −2.78 |
SAMPL4_021 | −9.19 | −9.22 | −9.17 | −7.63 |
SAMPL4_022 | −7.88 | −7.91 | −7.92 | −6.78 |
SAMPL4_023 | −6.24 | −6.72 | −6.74 | −9.34 |
SAMPL4_024 | −5.37 | −5.56 | −5.91 | −7.43 |
SAMPL4_025 | −4.40 | −4.47 | −4.43 | −5.73 |
SAMPL4_026 | −5.61 | −5.69 | −6.46 | −5.31 |
SAMPL4_027 | −2.72 | −3.21 | −3.56 | −4.80 |
SAMPL4_028 | −2.19 | −2.61 | −3.26 | −4.29 |
SAMPL4_029 | −0.11 | −0.29 | −0.68 | −1.66 |
SAMPL4_030 | −2.56 | −2.55 | −3.23 | −2.29 |
SAMPL4_032 | −5.77 | −5.77 | −5.63 | −7.29 |
SAMPL4_033 | −5.71 | −6.41 | −8.53 | −6.96 |
SAMPL4_034 | −5.40 | −5.39 | −5.58 | −5.80 |
SAMPL4_035 | −6.32 | −6.32 | −9.09 | −4.68 |
SAMPL4_036 | −5.42 | −5.52 | −5.52 | −5.66 |
SAMPL4_037 | −5.80 | −5.78 | −5.97 | −5.94 |
SAMPL4_038 | −4.71 | −4.71 | −4.81 | −3.93 |
SAMPL4_039 | −0.65 | −0.67 | −0.78 | −0.85 |
SAMPL4_041 | −3.43 | −3.67 | −3.65 | −5.05 |
SAMPL4_042 | −1.36 | −1.50 | −1.53 | −3.13 |
SAMPL4_043 | 0.82 | 0.82 | 0.74 | 0.14 |
SAMPL4_044 | −4.35 | −4.21 | −4.51 | −5.08 |
SAMPL4_045 | −12.34 | −12.34 | −13.18 | −11.53 |
SAMPL4_046 | −9.90 | −10.25 | −10.70 | −9.44 |
SAMPL4_047 | −13.37 | −13.32 | −13.62 | −14.21 |
SAMPL4_048 | −13.20 | −13.90 | −13.98 | −11.85 |
SAMPL4_049 | −4.18 | −4.18 | −4.48 | −3.16 |
SAMPL4_050 | −3.88 | −3.88 | −4.10 | −4.14 |
SAMPL4_051 | −10.58 | −10.94 | −16.38 | −9.53 |
SAMPL4_052 | −3.29 | −3.29 | −3.57 | −2.87 |