removed QSPR outliers for now [skip ci]

processed_data/77293/77293_fingerprints_maccs_isomeric_success.tsv

@@ -10,7 +10,6 @@ id	bits.on
 77293_00011	53,54,82,84,88,90,95,104,111,123,131,139,151,153,154,155,156,157,158,159,161,164
 77293_00013	53,89,90,91,104,108,114,115,116,118,123,128,129,131,132,139,146,147,152,154,155,157,159,160,164
 77293_00016	14,36,67,81,83,88,90,91,96,104,118,120,123,124,128,129,132,137,139,147,153,154,155,157,159,164,165
-77293_00024	90,91,99,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164
 77293_00025	54,72,90,91,99,104,108,114,115,116,118,123,128,129,131,132,139,140,146,147,152,154,155,157,159,160,164
 77293_00031	38,53,54,57,62,65,72,75,77,78,79,80,82,83,85,89,90,91,92,93,95,96,97,98,105,109,110,117,119,120,121,122,127,131,132,133,135,137,139,140,142,143,144,146,148,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165
 77293_00033	54,65,75,77,79,80,83,84,85,90,93,95,96,104,108,111,120,121,122,123,131,137,139,142,148,151,154,155,156,157,158,159,160,161,162,164,165
@@ -20,7 +19,6 @@ id	bits.on
 77293_00053	54,72,90,104,114,123,131,132,139,146,152,154,155,157,159,160,164
 77293_00056	53,54,72,89,123,131,136,139,140,146,152,154,157,159,164
 77293_00057	53,54,72,89,123,131,136,139,140,146,152,154,157,159,164
-77293_00059	54,72,90,91,104,108,114,115,116,118,123,128,129,131,132,139,146,147,152,154,155,157,159,160,164
 77293_00060	53,54,72,89,123,131,136,139,140,146,152,154,157,159,164
 77293_00061	53,54,72,89,123,131,136,139,140,146,152,154,157,159,164
 77293_00064	66,72,91,93,96,105,108,112,113,115,116,118,126,127,128,129,132,139,143,144,145,146,147,149,150,152,154,157,159,160,162,163,164,165
@@ -38,7 +36,6 @@ id	bits.on
 77293_00097	53,89,104,115,123,131,132,139,146,152,154,155,157,159,160,164
 77293_00098	53,89,90,91,104,108,114,115,116,118,123,128,129,131,132,139,146,147,152,154,155,157,159,160,164
 77293_00099	53,89,90,91,104,108,114,115,116,118,123,128,129,131,132,139,146,147,152,154,155,157,159,160,164
-77293_00101	53,82,89,90,109,115,123,131,139,146,153,154,155,157,159,160,164
 77293_00102	53,54,72,82,89,90,91,104,109,131,132,138,139,140,146,152,153,155,157,159,164
 77293_00104	53,89,90,91,104,108,114,115,116,118,123,128,129,131,132,139,146,147,152,154,155,157,159,160,164
 77293_00113	54,65,75,77,79,80,83,84,85,90,93,95,96,104,111,116,120,121,122,123,131,137,139,142,144,148,150,151,154,155,156,157,158,159,160,161,162,164,165
@@ -77,20 +74,15 @@ id	bits.on
 77293_00205	90,91,99,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164
 77293_00207	57,72,83,93,96,109,113,123,125,126,127,128,129,137,139,140,141,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165
 77293_00209	25,43,54,77,78,84,90,91,95,100,104,106,111,118,119,123,131,139,142,147,151,153,154,155,156,157,158,159,161,164
-77293_00210	53,54,57,72,76,82,83,89,91,96,99,104,109,123,127,131,132,137,139,140,143,146,150,152,153,154,155,157,159,164,165
 77293_00211	26,50,53,54,66,72,76,82,89,90,91,99,104,105,108,109,112,115,116,118,123,127,128,129,131,132,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165
 77293_00212	53,54,80,84,90,92,95,97,104,110,111,117,123,131,132,136,139,142,146,151,154,155,156,157,158,159,161,164
 77293_00213	53,54,84,90,95,97,104,111,123,131,132,136,139,140,146,151,154,155,156,157,158,159,161,164
-77293_00214	50,66,72,74,76,99,104,108,112,115,127,131,132,136,139,140,141,143,145,146,149,150,152,154,157,159,160,163,164,165
 77293_00215	29,43,48,53,54,57,69,72,89,90,91,98,102,106,109,112,123,124,126,127,130,131,132,137,139,140,143,146,148,150,152,153,155,157,159,163,164,165
-77293_00216	19,75,82,83,85,89,93,96,97,98,105,108,109,111,116,121,122,123,126,127,128,129,132,137,139,143,145,146,147,148,152,153,154,155,156,157,158,159,160,161,162,163,164,165
 77293_00218	53,54,57,62,72,89,98,105,113,120,123,125,126,127,131,136,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165
 77293_00222	29,43,48,53,54,57,69,72,89,90,91,98,102,106,109,112,123,124,126,127,130,131,132,137,139,140,143,146,148,150,152,153,155,157,159,163,164,165
 77293_00223	29,43,48,53,54,57,69,72,82,89,90,91,98,102,106,109,112,123,124,126,127,130,131,132,137,139,140,143,146,148,150,152,153,155,157,159,163,164,165
 77293_00225	29,38,48,49,53,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,117,120,121,122,124,125,126,127,130,131,132,133,135,136,137,138,139,140,142,143,145,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165
 77293_00226	30,49,74,75,83,85,86,93,95,96,97,100,104,108,111,112,115,116,121,122,123,127,132,137,139,143,146,148,149,150,152,153,154,156,157,158,159,160,161,164,165
-77293_00227	34,45,50,53,65,76,80,83,90,91,92,96,99,104,108,110,111,116,117,118,120,121,123,127,128,129,131,132,136,137,139,140,141,142,143,144,146,147,149,150,151,154,155,156,157,158,159,160,161,162,164,165
-77293_00228	34,45,50,53,65,76,78,80,83,90,91,92,96,99,104,108,110,116,117,118,119,120,121,123,127,131,132,136,137,139,140,141,142,143,144,146,147,149,150,151,154,155,156,157,158,159,160,161,162,164,165
 77293_00231	36,37,43,54,77,79,81,83,88,90,91,96,101,104,105,106,110,111,117,118,120,121,123,127,128,129,131,132,136,137,139,142,143,146,147,151,153,154,155,156,157,158,159,161,164,165
 77293_00235	30,49,74,85,86,89,93,95,100,108,112,114,115,122,123,126,128,132,136,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164
 77293_00237	54,72,99,113,123,127,131,139,140,143,144,146,150,152,154,157,159,162,163,164,165
@@ -151,7 +143,6 @@ id	bits.on
 77293_00309	54,57,72,83,89,96,101,105,120,123,127,131,137,139,140,143,146,150,152,154,157,159,164,165
 77293_00310	54,84,90,91,95,104,111,118,123,131,136,139,140,142,146,147,151,154,155,156,157,158,159,161,164
 77293_00311	29,30,48,49,72,74,85,86,89,93,95,100,102,106,108,109,111,112,114,115,116,118,122,123,124,126,128,129,130,132,136,138,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164
-77293_00321	26,50,57,66,76,83,90,96,98,99,101,104,105,108,109,112,115,116,118,120,123,127,128,129,132,137,139,141,143,145,146,147,149,152,153,157,159,160,163,164,165
 77293_00326	1,54,82,84,90,91,95,100,103,104,111,112,118,123,129,131,134,138,139,142,147,151,153,154,155,156,157,158,159,161,164,166
 77293_00327	29,43,48,53,54,69,72,89,90,91,102,104,106,109,112,124,126,130,131,132,136,139,140,146,148,152,153,154,155,157,159,164
 77293_00329	54,82,86,93,95,100,104,113,115,127,131,132,139,143,151,152,153,155,157,158,159,160,161,162,163,164,165
@@ -177,7 +168,6 @@ id	bits.on
 77293_00358	54,84,90,91,92,95,104,110,111,117,123,128,131,132,136,139,140,142,146,147,151,154,155,156,157,158,159,161,162,163,164,165
 77293_00362	53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165
 77293_00363	19,34,50,57,66,76,83,89,90,91,96,99,101,104,105,112,123,127,128,129,131,132,136,137,139,140,143,145,146,147,150,152,154,157,159,160,163,164,165
-77293_00365	53,89,91,99,108,113,114,115,116,118,123,127,128,129,131,139,143,144,146,147,150,152,154,155,157,159,160,162,163,164,165
 77293_00369	53,54,57,72,82,89,90,91,98,109,123,127,131,132,137,139,140,143,146,150,152,153,154,155,157,159,163,164,165
 77293_00370	53,54,72,82,84,89,90,91,95,97,104,109,123,131,132,139,140,146,151,152,153,154,155,156,157,158,159,161,164
 77293_00371	29,43,48,53,54,57,69,72,84,89,90,91,95,97,98,102,106,109,112,123,124,126,127,130,131,132,133,137,139,140,143,146,148,150,151,152,153,155,156,157,158,159,161,163,164,165
@@ -209,7 +199,6 @@ id	bits.on
 77293_00426	38,53,54,57,62,65,72,75,77,79,80,82,83,85,89,90,91,92,95,96,97,98,105,109,110,113,117,120,121,122,127,131,132,133,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165
 77293_00427	29,38,43,48,54,57,62,65,69,72,75,77,79,80,83,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165
 77293_00429	30,49,74,85,86,89,93,95,100,108,112,115,122,123,126,132,136,140,141,146,148,149,152,153,154,155,157,158,159,160,161,164
-77293_00431	54,84,90,91,95,114,115,123,131,139,149,151,154,155,156,157,158,159,160,161,164
 77293_00432	53,89,99,113,125,127,131,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165
 77293_00433	53,54,57,72,82,89,90,91,98,109,120,123,126,127,131,132,137,138,139,140,143,145,146,150,152,153,155,157,159,163,164,165
 77293_00436	53,57,66,74,89,91,93,98,99,104,105,112,113,115,125,126,127,131,132,137,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165
@@ -307,13 +296,11 @@ id	bits.on
 77293_00570	1,54,66,74,84,90,95,104,111,112,115,123,131,139,149,151,154,155,156,157,158,159,160,161,164
 77293_00571	29,38,48,49,53,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,124,125,126,127,130,131,132,133,136,137,138,139,140,142,143,145,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165
 77293_00572	29,48,49,54,57,62,65,69,72,75,80,83,84,85,89,90,91,92,95,96,97,98,102,106,109,110,112,117,120,121,122,124,126,127,130,131,132,133,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165
-77293_00574	62,65,75,80,83,85,86,93,96,98,100,108,111,115,116,118,120,121,122,137,142,147,148,150,153,156,158,160,161,162,163,165
 77293_00575	53,54,90,93,95,97,104,111,116,123,131,132,136,139,140,146,151,154,155,156,157,158,159,160,161,164
 77293_00576	54,90,91,93,95,104,108,111,116,123,131,132,136,139,140,146,147,151,154,155,156,157,158,159,160,161,164
 77293_00579	54,93,95,123,131,139,149,151,154,156,157,158,159,160,161,164
 77293_00582	54,72,82,84,95,100,104,113,127,131,132,139,143,144,146,150,151,152,153,155,157,158,159,161,162,163,164,165
 77293_00584	54,84,90,91,95,104,111,114,115,116,118,123,131,139,147,151,154,155,156,157,158,159,160,161,164
-77293_00586	54,84,90,91,95,104,111,114,115,123,131,139,147,151,154,155,156,157,158,159,160,161,164
 77293_00587	66,90,91,96,104,105,108,112,115,116,118,123,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165
 77293_00588	30,49,74,85,86,89,91,93,95,100,104,108,112,115,122,123,126,132,136,139,140,141,146,148,149,152,153,154,155,157,158,159,160,161,164
 77293_00589	26,50,66,74,76,90,91,99,104,105,108,112,115,116,118,123,127,128,129,131,132,139,141,143,145,146,147,149,150,152,154,157,159,160,163,164,165
@@ -326,11 +313,9 @@ id	bits.on
 77293_00605	53,54,66,72,74,82,89,90,91,92,95,97,100,104,109,110,111,112,115,117,123,131,132,136,138,139,140,146,147,149,151,152,153,154,155,156,157,158,159,160,161,164
 77293_00608	90,91,99,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164
 77293_00610	54,84,90,91,92,95,104,110,111,117,123,128,131,132,136,139,140,142,146,147,151,154,155,156,157,158,159,161,162,163,164,165
-77293_00612	54,79,84,90,92,95,104,110,111,117,123,131,136,139,142,146,151,154,155,156,157,158,159,160,161,162,163,164,165
 77293_00617	53,54,57,72,82,89,90,91,98,109,113,123,125,126,127,131,132,137,139,140,143,144,145,146,147,150,152,153,154,155,157,159,162,163,164,165
 77293_00619	54,66,82,90,91,92,95,96,100,104,105,108,110,111,112,115,116,117,118,123,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165
 77293_00622	54,66,82,90,91,92,95,96,100,104,105,108,110,111,112,115,116,117,118,123,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165
-77293_00623	57,65,75,77,79,83,85,93,96,108,109,111,114,116,120,121,122,123,127,128,129,137,142,143,144,148,149,150,153,154,155,156,157,158,159,160,161,162,164,165
 77293_00624	54,82,90,91,95,98,100,104,111,118,121,123,129,131,137,139,147,151,153,154,156,157,158,159,161,163,164,165
 77293_00625	28,57,72,75,83,85,86,92,96,98,99,100,105,109,110,111,113,117,118,120,121,122,123,129,137,138,144,145,146,147,148,152,153,154,156,157,158,159,161,162,163,164,165
 77293_00627	26,39,40,48,50,55,58,60,61,66,67,69,73,76,88,91,96,99,102,105,106,108,112,115,116,118,124,126,127,128,129,130,132,136,139,140,141,143,145,146,147,148,149,150,152,154,157,159,160,163,164,165
@@ -375,7 +360,6 @@ id	bits.on
 77293_00720	43,47,73,77,81,84,88,106,131,142,151,156,158,161
 77293_00723	37,53,57,62,65,72,75,77,80,82,83,85,89,90,91,92,96,97,98,104,106,109,110,111,113,117,120,121,122,127,128,129,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165
 77293_00724	29,37,43,48,57,62,65,69,72,75,77,80,83,85,89,90,91,92,96,97,98,102,104,106,109,110,111,112,113,117,120,121,122,124,126,127,128,129,130,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165
-77293_00727	53,54,65,75,77,79,80,83,84,85,90,91,92,95,96,100,104,110,111,117,118,120,121,122,127,128,131,132,136,137,140,142,143,146,147,148,150,151,153,154,155,156,158,159,161,162,164,165
 77293_00728	27,54,84,87,90,95,104,107,111,113,123,125,126,127,131,134,139,140,143,144,145,146,150,151,152,154,155,156,157,158,159,161,162,163,164,165
 77293_00729	1,25,43,75,77,78,79,83,85,86,90,91,92,93,95,96,97,100,104,106,110,111,112,115,117,119,120,121,122,127,131,132,133,137,142,143,148,150,151,153,154,156,158,160,161,164,165
 77293_00730	99,123,139,154,157,159,162,163,164,165
@@ -389,4 +373,3 @@ id	bits.on
 77293_00750	54,74,84,95,123,131,139,149,151,154,156,157,158,159,160,161,164
 77293_00753	37,38,43,53,54,57,62,65,72,75,77,79,80,82,83,85,89,90,91,92,95,96,97,98,105,106,109,110,113,117,120,121,122,127,131,132,133,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165
 77293_00754	29,37,38,43,48,53,54,57,62,65,69,72,75,77,79,80,83,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165
-77293_00756	54,84,86,88,90,91,93,95,104,111,115,116,123,131,139,147,151,153,154,155,156,157,158,159,160,161,164