rownames,toxicity,logKow,pKa,ELUMO,Ecarb,Emet,RM,IR,Ts,P
1,-0.15,1.68,1,4.81,17.8635,1.4838,31.36,1.425,31.3,12.43
2,-0.33,0.94,0.98,4.68,16.9491,0,22.1,1.408,30.4,8.76
3,-0.34,1.16,0.96,4.86,17.1806,0.2778,26.73,1.418,30.9,10.59
4,0.03,2.75,1,4.83,18.4794,3.5836,40.63,1.435,31.8,16.1
5,-0.57,0.79,0.97,4.8,16.8022,1.0232,22.14,1.411,32.5,8.77
6,0.08,2.64,1.01,4.9,18.3937,3.7145,40.63,1.435,31.8,16.1
7,-0.27,1.39,0.96,4.82,17.1101,2.0815,26.77,1.42,32.7,10.61
8,-0.25,1.47,1.02,4.62,17.5139,0,26.74,1.419,30.2,10.6
9,-0.51,0.33,0.95,4.74,16.3449,0.2222,17.51,1.397,32.3,6.94
10,-0.11,2.42,0.94,4.88,17.7382,4.5544,36.04,1.432,32.9,14.28
11,0.35,3.47,0.97,4.97,17.7382,7.2507,45.3,1.44,33.1,17.96
12,0.51,4.09,0.96,4.83,17.8253,8.6425,49.94,1.443,33.1,19.79
13,0.9,4.42,0.96,4.86,17.8983,10.0532,54.57,1.445,33.2,21.63
14,-0.23,1.75,0.98,4.86,17.4886,1.2528,31.36,1.425,31.3,12.43
15,-0.27,1.75,0.97,4.86,17.3705,1.0902,31.36,1.425,31.3,12.43
16,0.08,3.05,0.94,4.9,17.6321,5.8845,40.67,1.437,33,16.12
17,-0.21,1.92,0.97,4.87,17.3322,3.277,31.41,1.427,32.8,12.45
18,-0.64,-0.29,0.81,4.35,16.8734,0.0866,28.34,1.476,56.1,1.476
19,-0.61,0.08,0.81,4.35,17.1579,1.0178,32.97,1.476,52.4,1.476
20,-0.94,-0.59,0.6,3.76,16.4629,-0.5926,23.7,1.477,61.6,1.477
21,0.08,4.13,0.9069,4.44,18.0218,11.2898,70.03,1.474,41.7,1.474
22,-0.09,3.07,0.8757,4.44,17.9095,8.5144,60.77,1.474,43.1,1.474
23,-0.71,-0.58,0.1296,2.77,15.8195,-0.8056,19.07,1.478,70.5,1.478
24,-0.58,0.43,0.7474,4.4,17.3666,2.1002,37.6,1.476,49.8,1.476
25,-0.27,2.01,0.8548,4.44,17.7543,5.8246,51.5,1.475,44.9,1.475
26,-0.51,0.95,0.7951,4.42,17.5262,3.281,42.24,1.475,47.8,1.475
27,-0.28,1.41,-0.16,4.72,16.7559,0.784,26.83,1.452,34.1,1.452
28,0.12,0.87,0.92,4.74,16.9781,1.8572,26.5,1.438,33.1,1.438
29,-0.13,1.94,-0.19,4.72,16.9432,4.132,31.46,1.455,34,1.455
30,-0.22,1.4,0.65,4.54,17.143,1.0567,31.46,1.455,34,1.455
31,-0.54,0.72,-0.19,4.62,16.448,0,22.2,1.448,34.2,1.448
32,0.16,0.35,-0.2,1.86,15.8727,2.9606,17.23,1.422,32.8,1.422
33,0.21,3,-0.17,4.72,17.2779,4.3525,40.73,1.459,34,1.459
34,-0.06,2.12,0.12,2.67,16.9238,4,38.68,1.47,40.9,1.47
35,-0.29,-0.52,0.06,1.86,15.4004,0,15.33,1.455,52.9,1.455
36,0.71,2.65,0.12,2.39,17.0299,5.3118,43.31,1.47,40.1,1.47
37,0.6,3.53,-0.17,4.39,17.384,5.6883,45.36,1.46,33.9,1.46
38,-0.64,0.64,0.8,4.39,16.5416,3.2756,21.87,1.432,33,1.432