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Add dataset dataset 'äaß' #132

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Add dataset dataset 'äaß' #132

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57ec69c
added dataset dataset 'äaß'
Mar 12, 2024
7f1b1b9
Preprocessing 47350
actions-user Mar 12, 2024
f24880c
[no ci] set IDs for newly submitted datasets: 0392; previously 47350
actions-user Mar 12, 2024
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72 changes: 72 additions & 0 deletions processed_data/0392/0392_descriptors_canonical_success.tsv
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72 changes: 72 additions & 0 deletions processed_data/0392/0392_fingerprints_ecfp6_canonical_success.tsv
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Original file line number Diff line number Diff line change
@@ -0,0 +1,72 @@
id bits.on
0392_00001 1,15,17,40,73,85,89,92,129,134,164,182,222,226,337,339,353,369,381,415,423,444,446,461,476,503,511,515,534,540,550,552,606,626,640,676,750,759,783,831,836,837,936,947,968,998,999,1019,1022
0392_00002 15,17,20,23,25,35,40,73,89,112,120,129,134,151,182,211,212,226,317,328,335,337,347,353,369,381,396,415,444,461,476,503,508,511,515,534,540,550,552,576,592,602,606,626,640,648,664,676,727,750,752,753,759,762,783,831,833,836,837,894,897,928,947,968,998,1011,1019,1022
0392_00003 1,4,15,17,40,73,85,89,134,164,182,222,328,337,353,387,415,423,444,446,461,511,515,534,540,552,592,606,626,640,648,676,750,752,759,783,831,836,841,850,936,947,968,999,1019
0392_00004 17,20,94,134,169,226,298,300,449,456,458,460,508,515,626,640,676,727,897,946,968
0392_00005 20,94,129,134,169,456,508,550,620,626,635,640,676,727,733,897,947,966,968,1002
0392_00006 17,21,26,73,79,89,122,134,148,153,160,170,212,220,226,260,295,299,304,311,326,327,330,346,347,353,369,381,405,430,435,461,473,476,486,515,550,562,597,598,602,626,628,640,660,676,712,719,724,735,787,791,792,804,813,825,850,869,870,882,936,968,974,1005
0392_00007 20,21,60,94,107,134,139,141,147,148,171,207,226,264,304,347,353,369,371,381,382,390,430,476,497,508,515,531,542,550,551,598,626,640,712,717,727,735,737,747,825,850,872,910,936,968,976
0392_00008 17,26,72,73,89,122,134,153,160,170,212,220,260,295,299,304,311,326,327,330,346,347,369,405,435,461,473,486,515,550,562,597,602,620,626,628,640,660,676,712,719,724,733,741,763,787,791,792,804,813,825,850,870,882,907,936,947,968,974,1005
0392_00009 17,26,72,122,134,160,212,226,304,405,515,550,620,626,640,676,698,712,733,741,763,787,825,850,907,946,947,968
0392_00010 42,134,163,173,177,188,245,328,353,361,461,505,508,515,563,575,577,626,638,640,651,654,656,683,747,748,752,769,774,858,968
0392_00011 1,15,17,40,73,85,89,129,134,139,164,182,192,222,308,337,353,415,423,446,461,511,515,534,540,550,552,606,620,626,640,676,733,750,759,783,827,831,836,842,936,947,968,999,1019
0392_00012 14,15,41,54,134,147,167,192,206,245,274,353,369,397,400,452,461,508,515,544,566,568,569,626,640,743,748,839,845,930,968,1001,1016
0392_00013 4,20,60,94,95,107,134,139,141,147,148,171,201,207,226,264,304,347,353,362,382,390,497,508,515,531,542,549,550,551,626,640,666,705,712,717,727,735,737,747,778,825,850,858,872,910,931,936,948,968,976,990,999
0392_00014 4,42,71,73,89,134,153,170,192,220,245,261,274,301,311,316,326,327,328,330,346,347,369,400,435,452,461,473,483,508,515,544,549,562,566,568,597,624,625,626,640,653,657,660,705,719,724,744,748,778,787,791,796,810,856,877,928,936,948,968,974,997,1020
0392_00015 4,15,17,44,73,89,129,134,192,197,206,226,245,264,282,303,334,347,353,362,405,423,444,461,508,515,529,534,540,549,550,575,618,624,626,636,640,656,657,661,676,683,705,709,735,750,759,778,796,904,947,948,962,968,979,991
0392_00016 4,15,16,17,21,73,89,118,134,153,170,195,201,220,226,245,269,272,311,326,327,330,335,346,347,350,353,369,385,419,435,438,461,473,500,508,515,529,549,550,562,591,597,626,640,648,660,661,662,666,676,683,705,707,719,724,748,750,753,759,778,787,791,798,811,827,858,872,918,935,936,947,948,968,974,979,996,1006
0392_00017 4,15,16,17,21,35,89,110,118,134,153,170,195,201,210,215,220,226,245,260,269,272,311,320,330,335,336,347,350,353,369,385,392,399,419,435,438,461,473,486,500,508,512,515,529,547,549,550,555,562,579,591,626,640,648,660,661,662,666,676,683,705,707,719,724,727,734,748,750,753,759,778,785,787,791,798,811,816,827,858,863,872,918,935,936,947,948,968,974,979,994,996,1006
0392_00018 4,17,26,73,79,89,122,134,148,153,160,170,201,212,220,226,260,295,299,304,311,326,327,330,346,347,353,362,369,405,435,461,473,486,515,549,550,562,585,597,602,626,628,640,660,666,676,705,712,719,724,735,778,787,791,792,804,813,825,850,858,870,882,931,936,948,968,974,990,999,1005
0392_00019 15,16,17,21,73,89,118,134,153,170,195,219,220,245,311,326,327,330,335,346,347,350,353,369,395,419,435,438,461,473,499,500,508,515,529,550,562,597,620,626,640,648,660,661,676,683,719,724,733,748,750,753,759,780,787,791,798,827,872,918,935,936,947,968,974,996,1006
0392_00020 15,16,17,21,35,89,110,118,134,153,170,195,210,215,219,220,245,260,311,320,330,335,336,347,350,353,369,392,395,399,419,435,438,461,473,486,499,500,508,512,515,529,547,550,555,562,579,620,626,640,648,660,661,676,683,719,724,727,733,734,748,750,753,759,780,785,787,791,798,816,827,863,872,918,935,936,947,948,968,974,994,996,1006
0392_00021 9,15,30,73,89,128,134,153,159,170,220,223,226,243,245,260,299,311,316,326,327,330,335,346,347,353,359,361,369,381,435,438,446,461,469,473,476,486,508,513,515,550,554,562,570,573,597,626,628,640,660,661,683,687,701,719,724,736,748,772,787,791,793,827,836,882,899,936,968,970,974,978,1017
0392_00022 20,23,134,151,211,300,328,347,353,396,508,515,549,592,626,640,648,727,752,832,840,897,903,948,968,1004,1011
0392_00023 15,16,17,26,93,134,245,263,326,328,335,353,379,438,461,500,508,515,529,592,602,626,640,648,661,676,683,722,748,750,752,759,794,797,798,807,827,835,918,922,935,947,968,970,1006,1007
0392_00024 13,15,17,44,68,73,89,129,134,206,245,264,268,269,282,334,353,362,405,461,508,515,529,534,540,550,575,620,624,626,640,657,661,676,683,733,735,750,759,796,827,947,962,968,979,991
0392_00025 13,15,44,68,73,89,128,129,134,153,170,200,206,220,245,260,264,268,269,282,299,311,316,326,327,330,334,346,347,353,362,369,405,435,461,473,486,504,508,515,534,540,550,562,575,597,620,624,626,628,640,657,660,661,676,683,701,719,724,733,787,791,793,796,827,882,936,947,962,968,974,1023
0392_00026 4,10,20,94,96,112,134,145,177,222,252,283,304,353,469,487,500,508,509,510,550,551,626,640,675,689,727,850,968,991,992
0392_00027 4,21,25,65,73,76,85,89,90,94,118,133,134,153,170,178,186,195,220,223,245,267,284,301,311,326,327,328,330,335,344,346,347,356,369,435,449,461,470,473,486,508,513,514,515,529,549,562,567,591,597,626,640,651,660,681,705,707,719,724,748,778,787,791,798,807,820,852,856,903,934,936,948,968,974,981,984,996,1004
0392_00028 9,15,17,29,38,54,73,89,129,134,153,168,210,341,353,357,483,515,550,562,620,626,640,676,699,733,787,788,814,827,869,886,908,941,947,968,980
0392_00029 12,17,20,42,49,73,89,101,121,134,141,153,170,178,220,270,281,282,302,311,326,327,330,339,346,347,353,369,387,435,461,473,508,515,530,550,562,563,580,597,620,626,640,660,676,705,719,724,727,728,733,743,786,787,790,791,805,850,905,936,947,951,954,968,970,974,1020
0392_00030 12,17,20,49,101,117,134,141,153,178,216,270,281,282,302,339,353,508,515,530,550,563,620,626,640,657,676,727,733,743,786,911,927,947,951,968,970,1020
0392_00031 17,21,26,79,122,134,148,160,212,226,304,353,369,381,405,430,476,515,550,598,626,640,676,698,712,735,787,825,850,869,946,968
0392_00032 4,5,15,17,24,26,32,40,42,54,73,78,85,89,106,129,134,168,182,222,226,264,311,330,339,353,369,381,423,444,446,461,467,476,503,507,515,534,540,550,552,570,586,623,626,640,676,678,701,719,728,732,750,759,783,787,825,831,836,837,876,888,936,941,947,968,980,983,998,1005,1015,1022
0392_00033 26,72,122,134,160,174,260,266,304,347,425,500,505,515,549,550,602,620,626,640,676,712,733,741,763,765,778,787,825,850,907,947,948,950,968
0392_00034 15,16,17,21,73,89,118,131,134,138,144,153,170,195,220,245,303,311,326,327,330,335,346,347,350,353,369,419,435,438,461,472,473,500,505,508,514,515,529,550,562,588,591,597,626,640,648,660,661,676,683,705,709,719,724,748,750,753,759,787,790,791,798,811,827,872,905,918,935,936,947,968,970,974,996,1006
0392_00035 8,15,16,17,20,21,89,94,134,170,195,220,226,245,269,330,335,347,350,353,361,363,369,381,419,425,435,438,461,473,476,500,508,515,529,550,562,588,591,626,635,640,648,661,676,677,683,713,719,724,727,748,750,753,759,790,798,811,827,872,918,935,936,947,968,970,974,995,996,1006
0392_00036 15,16,17,26,73,89,93,131,134,138,144,153,170,220,245,303,311,326,327,330,335,346,347,353,369,379,435,438,461,472,473,500,505,508,514,515,527,529,550,562,597,626,640,660,661,676,683,705,709,719,724,748,750,753,759,787,790,791,797,798,811,827,835,905,918,922,935,936,947,968,970,974,1006,1007
0392_00037 15,16,17,21,59,73,86,134,146,195,226,236,245,269,330,335,347,353,361,369,381,419,438,451,461,476,489,500,506,508,515,529,550,573,588,609,626,640,661,676,683,748,750,759,798,811,827,918,935,936,947,968,970,972,996,1006
0392_00038 6,15,16,17,21,89,114,134,153,170,195,207,220,226,245,250,269,286,326,330,335,347,350,353,361,369,381,390,419,435,438,441,461,476,497,500,506,508,515,529,550,576,588,591,626,640,648,661,676,677,683,691,719,724,748,750,753,759,798,811,812,827,872,878,914,918,935,936,947,955,968,970,974,996,1006
0392_00039 15,16,17,21,35,89,110,118,134,153,170,195,210,215,220,226,245,260,269,311,320,330,335,336,347,350,353,361,369,381,392,399,419,435,438,461,473,476,486,500,508,512,515,529,547,550,555,562,579,588,591,626,640,648,660,661,676,683,719,724,727,734,748,750,753,759,785,787,791,798,811,816,827,863,872,918,935,936,947,948,968,970,974,994,996,1006
0392_00040 4,20,47,94,133,134,169,236,284,328,347,456,458,508,515,549,626,640,705,727,778,800,822,856,897,948,968
0392_00041 15,17,57,73,80,89,100,107,129,134,192,226,245,321,334,353,369,381,444,461,476,493,503,508,515,529,534,550,573,596,601,604,626,640,661,670,676,683,735,750,759,783,831,837,849,936,947,950,968,998,1022
0392_00042 20,60,72,94,107,134,139,141,148,171,207,261,264,304,347,382,390,497,508,531,542,550,551,620,626,640,676,712,717,727,733,737,741,747,763,825,850,855,872,910,936,947,968,976
0392_00043 12,20,39,49,54,73,89,92,101,121,134,141,153,170,178,270,281,282,284,302,311,316,326,327,328,330,353,369,374,461,508,515,530,550,562,563,586,587,604,608,617,620,626,640,676,719,727,733,743,783,786,791,860,889,921,931,936,941,947,951,958,968,970,974,992,1020
0392_00044 4,15,26,93,128,134,201,226,245,259,260,269,272,316,326,335,347,353,379,425,438,442,461,500,505,508,513,515,527,549,550,626,640,661,662,666,683,697,705,707,748,778,797,798,811,827,835,858,918,922,936,948,951,968,979,1007
0392_00045 13,15,35,44,68,73,89,126,128,129,134,153,154,170,173,200,206,210,215,220,245,260,264,268,269,277,282,311,316,320,326,327,330,334,346,347,353,362,369,400,405,435,461,467,477,486,504,508,515,534,540,550,562,575,608,620,624,626,628,640,651,657,661,676,683,701,719,727,733,734,754,760,770,787,791,793,796,804,827,863,883,936,939,947,948,962,968,974,1023
0392_00046 20,51,134,136,153,260,278,317,347,358,459,464,505,508,516,530,550,595,659,727,750,762,777,785,800,812,873,934,948,960,968,994
0392_00047 8,20,89,94,170,183,254,309,347,363,425,431,435,461,508,549,562,626,635,669,677,719,727,790,816,872,936,948,974,995,1006
0392_00048 15,20,44,89,118,121,134,137,151,153,154,226,258,274,300,326,339,347,396,420,421,461,467,471,473,508,534,536,549,590,616,626,637,647,716,727,736,744,814,833,840,864,869,936,948,950,968
0392_00049 4,21,26,63,73,76,89,94,101,105,118,119,133,134,153,170,178,179,186,194,195,220,223,241,245,267,270,284,311,326,327,328,330,335,346,347,369,435,461,473,491,508,513,515,517,549,562,597,626,640,660,679,681,705,707,719,724,748,749,778,787,791,798,807,817,823,828,850,852,856,900,934,936,946,948,959,968,974,981,984,996
0392_00050 15,17,20,42,73,84,86,89,92,103,106,112,122,129,134,139,148,161,187,226,230,236,252,256,285,287,304,308,325,333,422,461,515,534,550,570,579,582,615,616,620,626,636,640,649,676,712,733,745,759,783,784,788,790,798,811,824,825,827,831,833,835,850,884,885,886,900,908,931,941,946,947,964,966,968,975,976,980,989,1005,1018
0392_00051 15,17,20,23,25,35,40,73,89,112,120,134,151,182,211,212,317,328,335,337,347,353,387,396,397,415,444,461,508,511,515,534,540,552,576,592,606,626,640,648,664,676,681,727,750,752,759,762,783,831,833,836,841,850,894,897,928,947,968,1011,1019
0392_00052 20,94,134,169,211,226,266,353,369,381,454,456,476,477,508,515,550,626,635,640,727,897,968,998
0392_00053 3,15,24,26,32,40,42,73,85,89,129,134,167,222,226,228,238,245,266,287,311,314,330,339,353,363,369,381,400,423,444,446,461,463,476,500,503,508,515,534,540,550,552,575,626,640,748,757,783,788,789,836,837,865,905,936,941,968,971,974,997,998,1008,1015,1022
0392_00054 20,23,134,151,153,211,219,298,328,347,353,396,442,505,508,515,544,592,626,640,648,663,727,736,752,878,897,948,968,994,1011
0392_00055 9,15,17,19,29,38,42,54,73,89,106,109,112,129,134,139,144,153,168,230,285,308,341,353,357,461,483,515,534,550,562,570,579,620,626,640,676,699,725,729,733,759,783,787,788,814,827,831,833,845,869,886,908,941,947,968,980,1000,1005
0392_00056 20,93,94,107,118,141,153,207,231,250,259,261,341,441,481,490,508,626,635,642,657,659,679,698,704,727,756,778,833,915
0392_00057 20,94,107,120,205,207,390,508,542,626,727,936
0392_00058 15,20,26,88,89,94,171,213,279,318,490,508,570,599,600,626,675,719,727,819,822,836,855,936
0392_00059 20,21,94,153,337,480,508,530,626,727,752
0392_00060 20,94,153,294,480,505,508,626,727,948,994
0392_00061 20,94,144,153,154,240,298,305,357,373,480,508,626,727,744,767,948,977,987
0392_00062 20,52,72,94,107,118,134,141,153,182,207,270,281,424,481,508,550,558,620,626,635,640,676,697,727,733,819,947,968,970,989
0392_00063 20,52,94,107,141,153,207,236,254,406,454,465,481,508,544,626,727,802,868,948,994
0392_00064 153,326,626,666,700,718,833,916,919,932,948
0392_00065 20,138,153,232,324,387,508,575,700,727,777,833,919,948,982
0392_00066 20,94,107,141,199,207,241,406,481,508,544,626,727,750,802,948
0392_00067 15,20,32,79,89,94,139,233,237,474,508,590,614,626,662,677,727,772
0392_00068 14,20,94,107,118,128,141,145,153,157,186,207,226,231,250,257,270,284,285,366,387,403,427,480,481,508,516,530,566,626,627,635,673,690,692,727,739,757,871,917,927,984,997,1006
0392_00069 134,169,189,245,251,390,403,452,479,506,508,662,663,675,766,837,968,981,997
0392_00070 97,98,110,134,206,218,223,245,289,343,486,506,508,524,582,583,657,658,662,727,946,960,981,984
0392_00071 98,134,188,206,223,240,245,249,317,405,422,479,506,508,517,532,580,582,654,662,727,778,787,884,950,968,981,984,1012
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