data/solubility-processed.csv

MolLogP,MolWt,NumRotatableBonds,AromaticProportion,logS
2.5954000000000006,167.85,0.0,0.0,-2.18
2.376500000000001,133.405,0.0,0.0,-2.0
2.5938,167.85,1.0,0.0,-1.74
2.0289,133.405,1.0,0.0,-1.48
2.9189,187.37500000000003,1.0,0.0,-3.04
1.81,98.96000000000001,0.0,0.0,-1.29
1.9352,96.94399999999999,0.0,0.0,-1.64
1.4054,118.176,4.0,0.0,-0.43
4.3002,215.894,0.0,0.6,-4.57
2.5654000000000003,132.20599999999996,0.0,0.6,-4.37
4.3002,215.894,0.0,0.6,-4.63
3.6468000000000007,181.44899999999998,0.0,0.6666666666666666,-4.0
2.611860000000001,120.195,0.0,0.6666666666666666,-3.2
4.7366,393.69800000000004,0.0,0.6,-6.98
4.3002,215.894,0.0,0.6,-5.56
2.9202800000000018,134.22199999999998,0.0,0.6,-4.59
3.974100000000001,314.802,0.0,0.6666666666666666,-4.5
3.6468000000000007,181.449,0.0,0.6666666666666666,-3.59
2.611860000000001,120.195,0.0,0.6666666666666666,-3.31
1.0977999999999999,110.11199999999998,0.0,0.75,0.62
3.2116000000000007,235.90599999999998,0.0,0.75,-3.5
1.7762,187.862,1.0,0.0,-1.68
2.9934000000000003,147.00399999999996,0.0,0.75,-3.05
1.464,98.96000000000001,1.0,0.0,-1.06
1.8525,112.98700000000001,1.0,0.0,-1.6
2.6495999999999995,170.92000000000002,1.0,0.0,-2.74
1.0594000000000001,118.176,5.0,0.0,-0.77
2.811400000000001,134.22199999999998,2.0,0.6,-3.28
1.503,168.10799999999995,2.0,0.5,-3.1
0.4051,58.08,0.0,0.0,-0.59
3.974100000000001,314.802,0.0,0.6666666666666666,-5.6
3.6468000000000007,181.449,0.0,0.6666666666666666,-4.48
2.611860000000001,120.19499999999998,0.0,0.6666666666666666,-3.4
1.4112,213.10499999999996,3.0,0.4,-2.89
1.0977999999999999,110.11199999999998,0.0,0.75,0.81
1.3584,54.09199999999999,1.0,0.0,-1.87
3.2116000000000007,235.90599999999998,0.0,0.75,-3.54
2.993400000000001,147.004,0.0,0.75,-3.04
1.8540999999999999,112.98700000000001,2.0,0.0,-1.62
0.49030000000000007,132.232,2.0,0.0,-1.46
1.9648,114.094,0.0,0.75,-2.0
3.456640000000002,156.22799999999998,0.0,0.8333333333333334,-4.29
1.503,168.10799999999995,2.0,0.5,-2.29
1.0977999999999999,110.11199999999998,0.0,0.75,-0.17
1.8926,80.12999999999998,0.0,0.0,-2.06
3.2116000000000007,235.90599999999998,0.0,0.75,-4.07
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2.811400000000001,134.22199999999998,2.0,0.6,-3.75
1.9647999999999999,114.094,0.0,0.75,-1.97
3.456640000000002,156.228,0.0,0.8333333333333334,-4.14
1.503,168.10799999999995,2.0,0.5,-3.39
1.7485,68.119,2.0,0.0,-2.09
3.456640000000002,156.228,0.0,0.8333333333333334,-4.678999999999999
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2.7830000000000004,180.20999999999998,0.0,1.0,-2.68
2.7441000000000013,154.253,0.0,0.0,-1.74
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2.970200000000001,194.23700000000002,0.0,0.9333333333333333,-4.22
2.0373,137.01999999999998,1.0,0.0,-2.43
2.1814,137.01999999999998,2.0,0.0,-2.37
3.351700000000002,179.101,5.0,0.0,-4.43
2.9616000000000016,165.074,4.0,0.0,-3.81
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1.8812,92.569,1.0,0.0,-2.0
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5.069900000000006,228.41999999999993,13.0,0.0,-6.35
1.1689,88.14999999999999,3.0,0.0,-0.6
1.9725,70.135,2.0,0.0,-2.68
1.4197,68.11899999999999,1.0,0.0,-1.64
1.7399,122.16699999999996,1.0,0.6666666666666666,-0.92
0.3887,60.096,1.0,0.0,0.62
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1.8050000000000002,116.20399999999998,3.0,0.0,-1.52
1.0248,88.14999999999999,0.0,0.0,-0.4
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2.699,163.003,0.0,0.6666666666666666,-1.3
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