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
2.993400000000001,147.00400000000002,0.0,0.75,-3.27
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
2.1386000000000003,82.14599999999999,3.0,0.0,-2.68
2.7830000000000004,180.20999999999998,0.0,1.0,-2.68
2.7441000000000013,154.253,0.0,0.0,-1.74
4.269300000000004,302.4580000000001,0.0,0.0,-3.9989999999999997
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
3.6023000000000014,207.07,0.0,0.9090909090909091,-4.35
3.741800000000003,193.128,6.0,0.0,-5.06
2.5715000000000012,151.047,3.0,0.0,-3.08
1.7913000000000001,122.993,1.0,0.0,-1.73
0.7787999999999999,74.12299999999999,2.0,0.0,0.0
1.5824,56.108,1.0,0.0,-1.94
1.0295999999999998,54.09199999999999,0.0,0.0,-1.24
1.6200999999999999,143.411,1.0,0.0,-1.32
1.8812,92.569,1.0,0.0,-2.0
2.0253,92.56899999999999,2.0,0.0,-2.03
3.1956000000000016,134.65,5.0,0.0,-4.0
2.805500000000001,120.623,4.0,0.0,-3.12
3.4932000000000016,162.61899999999997,0.0,0.9090909090909091,-3.93
2.415400000000001,106.596,3.0,0.0,-2.73
1.6352,78.542,1.0,0.0,-1.47
3.119400000000002,158.285,8.0,0.0,-3.63
3.9230000000000036,140.26999999999998,7.0,0.0,-5.51
3.8996000000000035,186.33899999999997,10.0,0.0,-4.8
3.4022000000000023,156.22799999999998,1.0,0.8333333333333334,-4.17
1.9491,116.204,5.0,0.0,-1.81
2.752700000000001,98.189,4.0,0.0,-3.73
2.1999000000000004,96.17299999999999,3.0,0.0,-3.01
5.460000000000006,242.44699999999992,14.0,0.0,-7.0
1.559,102.17699999999999,4.0,0.0,-1.24
2.3626000000000005,84.16199999999999,3.0,0.0,-3.23
1.3334,100.16099999999999,3.0,0.0,-0.59
1.8098,82.14599999999999,2.0,0.0,-2.36
2.2215,184.01999999999998,2.0,0.0,-2.96
3.3918000000000026,226.101,5.0,0.0,-4.81
3.4444000000000017,254.07000000000002,0.0,0.9090909090909091,-4.55
1.8314,169.993,1.0,0.0,-2.29
2.5067000000000004,96.17300000000002,0.0,0.0,-3.27
3.566220000000002,180.25000000000003,0.0,0.8571428571428571,-5.22
3.148220000000002,142.201,0.0,0.9090909090909091,-3.7
4.301420000000003,192.261,0.0,0.9333333333333333,-5.85
-0.9264000000000001,126.115,0.0,0.6666666666666666,-0.807
2.5454000000000008,144.17299999999997,0.0,0.9090909090909091,-2.22
2.4220000000000006,143.189,0.0,0.9090909090909091,-1.92
2.748000000000001,173.171,1.0,0.7692307692307693,-3.54
0.6731,89.09399999999998,2.0,0.0,-0.8
2.7293000000000016,144.258,7.0,0.0,-3.01
3.5329000000000024,126.243,6.0,0.0,-5.05
2.980100000000002,124.22699999999999,5.0,0.0,-4.24
6.240200000000008,270.50099999999986,16.0,0.0,-8.4
2.3392000000000013,130.23100000000002,6.0,0.0,-2.39
3.142800000000002,112.216,5.0,0.0,-4.44
2.5900000000000007,110.19999999999999,4.0,0.0,-3.66
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
4.679800000000005,214.39299999999994,12.0,0.0,-5.84
9.887599999999999,498.66200000000026,1.0,0.5454545454545454,-11.6
8.580799999999998,429.77200000000016,1.0,0.6,-9.16
7.274000000000001,360.88200000000006,1.0,0.6666666666666666,-8.01
8.580799999999998,429.77200000000016,1.0,0.6,-9.15
7.274000000000001,360.88200000000006,1.0,0.6666666666666666,-8.6
5.967200000000002,291.99199999999996,1.0,0.75,-7.28
7.9274000000000004,395.3270000000001,1.0,0.631578947368421,-7.92
7.9274000000000004,395.3270000000001,1.0,0.631578947368421,-8.94
7.274000000000001,360.88200000000006,1.0,0.6666666666666666,-7.68
6.620600000000001,326.437,1.0,0.7058823529411765,-7.21
6.620600000000001,326.437,1.0,0.7058823529411765,-7.43
7.274000000000001,360.88200000000006,1.0,0.6666666666666666,-7.42
5.967200000000002,291.9920000000001,1.0,0.75,-6.47
2.6885000000000012,100.20499999999998,0.0,0.0,-4.36
7.274000000000001,360.88200000000006,1.0,0.6666666666666666,-8.56
7.274000000000001,360.88200000000006,1.0,0.6666666666666666,-8.71
5.967200000000002,291.99199999999996,1.0,0.75,-6.57
6.620600000000001,326.437,1.0,0.7058823529411765,-7.32
3.0786000000000016,114.23199999999999,1.0,0.0,-4.74
3.468700000000003,128.259,2.0,0.0,-5.05
5.967200000000002,291.99199999999996,1.0,0.75,-7.39
1.4149,102.17699999999998,2.0,0.0,-1.04
2.442500000000001,86.17799999999998,0.0,0.0,-3.55
2.832600000000001,100.20499999999998,1.0,0.0,-4.36
1.8050000000000002,116.20399999999998,3.0,0.0,-1.52
1.0248,88.14999999999999,0.0,0.0,-0.4
4.660400000000002,223.102,1.0,0.8571428571428571,-5.27
7.274,360.88200000000006,1.0,0.6666666666666666,-7.82
7.9274000000000004,395.3270000000001,1.0,0.631578947368421,-7.66
7.274000000000001,360.88200000000006,1.0,0.6666666666666666,-7.39
6.620600000000001,326.437,1.0,0.7058823529411765,-7.8
6.620600000000001,326.437,1.0,0.7058823529411765,-7.92
5.967200000000002,291.992,1.0,0.75,-7.25
4.0058,231.893,0.0,0.5454545454545454,-3.15
4.005799999999999,231.89299999999997,0.0,0.5454545454545454,-3.1
5.313800000000001,257.547,1.0,0.8,-6.29
5.313800000000001,257.547,1.0,0.8,-6.26
3.3524000000000003,197.448,0.0,0.6,-2.67
2.9345000000000017,114.23199999999999,2.0,0.0,-4.8
4.0058,231.893,0.0,0.5454545454545454,-3.37
5.313800000000001,257.547,1.0,0.8,-6.01
3.3523999999999994,197.44799999999998,0.0,0.6,-2.67
3.3523999999999994,197.44799999999998,0.0,0.6,-2.64
2.901600000000001,192.00100000000003,1.0,0.5454545454545454,-3.48
2.699,163.003,0.0,0.6666666666666666,-1.3
2.1386000000000003,82.146,1.0,0.0,-2.4
2.2984,86.178,1.0,0.0,-3.65
3.456640000000002,156.22799999999998,0.0,0.8333333333333334,-4.72
2.6885000000000012,100.20499999999998,2.0,0.0,-4.28
1.69844,107.156,0.0,0.75,0.38
5.313800000000001,257.547,1.0,0.8,-6.27
5.313800000000001,257.547,1.0,0.8,-6.25
3.3524000000000003,197.448,0.0,0.6,-2.21
5.313800000000001,257.547,1.0,0.8,-6.14
3.3523999999999994,197.44799999999998,0.0,0.6,-2.34
2.3174600000000005,136.194,0.0,0.6,-2.05
1.7196200000000006,227.13199999999998,3.0,0.375,-3.22
2.699,163.003,0.0,0.6666666666666666,-1.55
1.8034,116.20399999999998,2.0,0.0,-0.92
1.6593,116.20399999999998,2.0,0.0,-1.22
1.8675,114.18799999999997,2.0,0.0,-1.3
2.6885000000000012,100.20499999999998,2.0,0.0,-4.26
2.0090399999999997,122.16699999999999,0.0,0.6666666666666666,-1.19
1.69844,107.15599999999999,0.0,0.75,0.38
1.8114200000000005,182.135,2.0,0.46153846153846156,-2.82
4.660400000000002,223.102,1.0,0.8571428571428571,-5.28
4.660400000000002,223.102,1.0,0.8571428571428571,-5.25
2.699,163.003,0.0,0.6666666666666666,-1.79
3.456640000000002,156.228,0.0,0.8333333333333334,-4.89
2.00904,122.16699999999999,0.0,0.6666666666666666,-1.29
1.69844,107.156,0.0,0.75,0.45
1.8114200000000005,182.135,2.0,0.46153846153846156,-3.0
4.660400000000003,223.102,1.0,0.8571428571428571,-5.21
2.8516400000000006,157.216,0.0,0.8333333333333334,-1.94
3.5752000000000015,193.249,0.0,0.9333333333333333,-5.17
3.6023000000000014,207.07000000000002,0.0,0.9090909090909091,-4.4
3.6023000000000014,207.07,0.0,0.9090909090909091,-4.4
1.7897,122.993,0.0,0.0,-1.59
2.7575200000000013,171.03699999999998,0.0,0.75,-2.23
0.9854,72.107,1.0,0.0,0.52
0.7614000000000001,70.09100000000001,1.0,0.0,0.32
0.7953999999999999,118.17599999999999,5.0,0.0,-0.42
2.4138,106.59599999999999,1.0,0.0,-2.51
2.3486000000000002,142.58499999999998,1.0,0.6666666666666666,-2.46
4.007000000000002,188.657,1.0,0.9230769230769231,-4.54
2.0237,92.569,1.0,0.0,-1.96
3.4932000000000016,162.61899999999997,0.0,0.9090909090909091,-4.14
2.0456000000000003,128.558,0.0,0.75,-1.06
1.6336,78.542,0.0,0.0,-1.41
2.6484200000000007,126.586,0.0,0.75,-3.52
-1.2591199999999998,84.082,0.0,0.0,-0.31
3.3260000000000023,156.269,7.0,0.0,-3.3
1.644,107.15599999999998,1.0,0.75,0.51
1.4149,102.17699999999999,3.0,0.0,-1.17
2.1951000000000005,130.231,5.0,0.0,-2.11
2.3218000000000005,126.19899999999998,4.0,0.0,-2.46
1.6215,100.16099999999999,3.0,0.0,-1.52
2.401700000000001,128.21499999999997,5.0,0.0,-2.13
3.4022000000000014,156.22799999999998,1.0,0.8333333333333334,-4.29
2.5574200000000005,120.19499999999996,1.0,0.6666666666666666,-3.21
1.9475000000000002,116.20399999999998,4.0,0.0,-1.55
2.1557000000000004,114.18799999999999,4.0,0.0,-1.45
1.5574,102.17699999999998,3.0,0.0,-0.89
1.7656,100.16099999999999,3.0,0.0,-0.8
0.1253999999999998,148.125,0.0,0.9090909090909091,-1.9469999999999998
0.7871999999999999,95.101,0.0,0.8571428571428571,1.02
1.8298,169.993,0.0,0.0,-2.09
3.118420000000002,134.22199999999995,1.0,0.6,-3.76
0.42839999999999984,162.152,1.0,0.8333333333333334,-1.11
1.9725,70.13499999999999,0.0,0.0,-2.56
1.7485,68.11900000000001,1.0,0.0,-2.03
1.9725,70.13499999999999,1.0,0.0,-2.73
2.3626000000000005,84.16199999999999,2.0,0.0,-3.03
2.3376000000000006,130.231,4.0,0.0,-1.72
1.9475000000000002,116.20399999999998,3.0,0.0,-1.08
1.5574,102.17699999999998,2.0,0.0,-0.49
1.4133,102.17699999999999,2.0,0.0,-0.7
4.301420000000002,192.261,0.0,0.9333333333333333,-6.96
1.1673,88.14999999999998,1.0,0.0,0.15
2.0524,72.151,1.0,0.0,-3.18
1.0248,88.14999999999999,2.0,0.0,-0.47
3.2227000000000023,114.23199999999999,4.0,0.0,-5.08
3.148220000000001,142.201,0.0,0.9090909090909091,-3.77
2.442500000000001,86.178,2.0,0.0,-3.74
1.4149,102.17699999999999,3.0,0.0,-1.11
4.301420000000003,192.261,0.0,0.9333333333333333,-5.84
1.70062,108.13999999999999,0.0,0.75,-0.62
0.6347,74.12299999999999,1.0,0.0,0.1
1.6622999999999999,58.123999999999995,0.0,0.0,-2.55
1.5824,56.108000000000004,0.0,0.0,-2.33
0.7282199999999999,146.153,0.0,0.9090909090909091,-0.12
1.1853,86.134,0.0,0.0,0.11
2.5454,144.17299999999997,0.0,0.9090909090909091,-2.28
0.6715,89.094,1.0,0.0,-0.62
2.727700000000002,144.258,6.0,0.0,-2.74
2.935900000000001,142.242,6.0,0.0,-2.58
2.3376000000000006,130.231,5.0,0.0,-2.09
2.5458000000000007,128.21499999999997,5.0,0.0,-2.05
1.1673,88.14999999999999,2.0,0.0,-0.29
1.3755,86.13399999999999,2.0,0.0,-0.19
1.0576999999999999,138.16599999999997,3.0,0.6,-0.7
0.38710000000000006,60.096000000000004,0.0,0.0,0.43
-0.10360000000000008,85.10600000000001,0.0,0.0,1.07
3.5079000000000025,172.312,8.0,0.0,-2.94
1.4149,102.17699999999999,1.0,0.0,-0.5
1.4133,102.17699999999999,0.0,0.0,-0.62
1.6215,100.16099999999999,0.0,0.0,-0.72
2.832600000000001,100.20499999999998,2.0,0.0,-4.23
2.901600000000001,192.001,1.0,0.5454545454545454,-3.2
2.6990000000000007,163.00300000000001,0.0,0.6666666666666666,-1.25
2.0090399999999997,122.16699999999999,0.0,0.6666666666666666,-1.38
1.69844,107.15599999999999,0.0,0.75,0.36
4.660400000000002,223.102,1.0,0.8571428571428571,-6.39
2.699,163.003,0.0,0.6666666666666666,-1.34
2.0090399999999997,122.16699999999997,0.0,0.6666666666666666,-1.4
1.69844,107.15599999999998,0.0,0.75,0.38
2.782800000000001,352.39000000000004,6.0,0.46153846153846156,-5.071000000000001
2.3486000000000002,142.58499999999998,1.0,0.6666666666666666,-2.78
4.007000000000002,188.657,1.0,0.9230769230769231,-4.88
2.0456,128.558,0.0,0.75,-0.7
1.1388800000000001,89.525,1.0,0.0,-0.29
2.0025999999999993,324.33600000000007,4.0,0.5,-4.47
1.9475,116.204,3.0,0.0,-0.85
1.9475,116.20399999999998,4.0,0.0,-1.47
3.9531000000000027,394.471,9.0,0.41379310344827586,-6.301
1.5574,102.17699999999999,3.0,0.0,-0.8
1.7656,100.16099999999999,3.0,0.0,-0.83
3.5630000000000024,380.444,8.0,0.42857142857142855,-5.886
1.8098,82.14599999999999,0.0,0.0,-1.99
1.8284,70.135,1.0,0.0,-2.73
1.0231999999999999,88.14999999999999,1.0,0.0,-0.18
1.2314,86.13399999999999,1.0,0.0,-0.12
1.4149,102.17699999999999,3.0,0.0,-0.72
1.4149,102.17699999999999,3.0,0.0,-0.71
1.6215,100.16099999999999,2.0,0.0,-0.67
2.3376,130.23099999999997,4.0,0.0,-1.6
1.9475,116.20399999999998,3.0,0.0,-0.98
1.5574,102.17699999999998,2.0,0.0,-0.36
1.0248,88.14999999999999,2.0,0.0,-0.51
5.553220000000004,268.3589999999999,0.0,0.8571428571428571,-7.92
3.2227000000000023,114.23199999999999,4.0,0.0,-5.16
2.4763200000000003,131.17799999999997,0.0,0.9,-2.42
2.442500000000001,86.178,2.0,0.0,-3.68
1.7006199999999998,108.13999999999999,0.0,0.75,-0.68
2.3376,130.23099999999997,5.0,0.0,-1.98
4.343200000000004,408.498,10.0,0.4,-6.523
1.1673,88.15,2.0,0.0,-0.24
1.3755,86.134,2.0,0.0,-0.28
3.172900000000002,366.41700000000003,7.0,0.4444444444444444,-4.678
2.3927000000000005,338.36300000000006,5.0,0.48,-4.907
4.660400000000002,223.102,1.0,0.8571428571428571,-6.56
2.1547,173.00900000000001,0.0,0.75,-1.09
2.7575200000000013,171.03700000000003,0.0,0.75,-3.19
2.3486000000000002,142.585,1.0,0.6666666666666666,-2.78
2.0456,128.558,0.0,0.75,-0.7
2.6484200000000007,126.586,0.0,0.75,-3.08
2.5574200000000005,120.19499999999996,1.0,0.6666666666666666,-3.11
1.9475,116.204,4.0,0.0,-1.4
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