crystalin/gist:d36a1041dbf2fe1184e8f62a5c8fdb55

## gistfile1.txt
#4332001: Real =>    7,778,731 [ 143 compounds] | RT2500 =>   2,056,713 [ 143 compounds]
#4332002: Real =>    8,634,576 [ 163 compounds] | RT2500 =>   2,109,194 [ 163 compounds]
#4332003: Real =>    4,093,520 [  41 compounds] | RT2500 =>   1,821,436 [  41 compounds]
#4332004: Real =>    3,594,826 [  73 compounds] | RT2500 =>     843,149 [  73 compounds]
#4332005: Real =>   10,408,696 [ 197 compounds] | RT2500 =>   2,177,517 [ 197 compounds]
#4332006: Real =>    4,289,821 [  86 compounds] | RT2500 =>     996,587 [  86 compounds]
#4332007: Real =>    4,350,057 [  49 compounds] | RT2500 =>   1,849,532 [  49 compounds]
#4332008: Real =>    8,464,713 [ 159 compounds] | RT2500 =>   2,089,894 [ 159 compounds]
#4332009: Real =>   10,040,629 [ 184 compounds] | RT2500 =>   2,145,940 [ 184 compounds]
#4332010: Real =>      510,640 [   7 compounds] | RT2500 =>     247,434 [   7 compounds]
#4332011: Real =>    8,551,289 [ 165 compounds] | RT2500 =>   2,108,424 [ 165 compounds]
#4332012: Real =>    8,351,302 [ 156 compounds] | RT2500 =>   2,085,783 [ 156 compounds]
#4332013: Real =>    8,098,330 [ 155 compounds] | RT2500 =>   2,086,056 [ 155 compounds]
#4332014: Real =>   10,247,973 [ 200 compounds] | RT2500 =>   2,181,544 [ 200 compounds]
#4332015: Real =>    9,823,098 [ 185 compounds] | RT2500 =>   2,148,090 [ 185 compounds]
#4332016: Real =>   11,012,248 [ 219 compounds] | RT2500 =>   2,231,494 [ 219 compounds]
#4332017: Real =>    7,152,290 [ 134 compounds] | RT2500 =>   1,642,887 [ 134 compounds]
#4332018: Real =>    1,654,474 [  32 compounds] | RT2500 =>     453,590 [  32 compounds]
#4332019: Real =>    9,282,702 [ 182 compounds] | RT2500 =>   2,146,430 [ 182 compounds]
#4332020: Real =>    9,586,104 [ 190 compounds] | RT2500 =>   2,161,711 [ 190 compounds]
#4332021: Real =>    9,936,294 [ 192 compounds] | RT2500 =>   2,168,854 [ 192 compounds]
#4332022: Real =>    9,531,252 [ 180 compounds] | RT2500 =>   2,134,301 [ 180 compounds]
#4332023: Real =>    8,201,364 [ 154 compounds] | RT2500 =>   2,081,287 [ 154 compounds]
#4332024: Real =>    9,258,877 [ 164 compounds] | RT2500 =>   2,090,924 [ 164 compounds]
#4332025: Real =>    8,658,162 [ 158 compounds] | RT2500 =>   2,095,517 [ 158 compounds]
#4332026: Real =>    8,326,439 [ 159 compounds] | RT2500 =>   2,097,611 [ 159 compounds]
#4332027: Real =>   11,378,835 [ 228 compounds] | RT2500 =>   2,252,013 [ 228 compounds]
#4332028: Real =>    3,560,982 [  31 compounds] | RT2500 =>   1,798,928 [  31 compounds]
#4332029: Real =>   12,000,899 [ 233 compounds] | RT2500 =>   2,252,931 [ 233 compounds]
#4332030: Real =>    9,732,328 [ 196 compounds] | RT2500 =>   2,180,269 [ 196 compounds]
#4332031: Real =>    9,285,546 [ 182 compounds] | RT2500 =>   2,149,021 [ 182 compounds]
#4332032: Real =>    9,205,746 [ 149 compounds] | RT2500 =>   2,036,497 [ 149 compounds]
#4332033: Real =>    9,367,141 [ 182 compounds] | RT2500 =>   2,146,458 [ 182 compounds]
#4332034: Real =>    9,010,452 [ 167 compounds] | RT2500 =>   2,107,850 [ 167 compounds]
#4332035: Real =>    8,858,397 [ 173 compounds] | RT2500 =>   2,128,887 [ 173 compounds]
#4332036: Real =>   10,914,010 [ 214 compounds] | RT2500 =>   2,220,208 [ 214 compounds]
#4332037: Real =>    8,890,153 [ 174 compounds] | RT2500 =>   1,858,765 [ 174 compounds]
#4332038: Real =>    8,036,773 [ 159 compounds] | RT2500 =>   1,716,818 [ 159 compounds]
#4332039: Real =>    8,105,521 [ 148 compounds] | RT2500 =>   2,065,348 [ 148 compounds]
#4332040: Real =>    9,005,540 [ 155 compounds] | RT2500 =>   2,060,510 [ 155 compounds]
#4332041: Real =>    3,881,575 [  38 compounds] | RT2500 =>   1,809,440 [  38 compounds]
#4332042: Real =>    8,005,447 [ 147 compounds] | RT2500 =>   2,068,268 [ 147 compounds]
#4332043: Real =>    3,289,835 [  69 compounds] | RT2500 =>     743,500 [  69 compounds]
#4332044: Real =>    9,807,963 [ 187 compounds] | RT2500 =>   2,144,757 [ 187 compounds]
#4332045: Real =>    6,407,055 [ 129 compounds] | RT2500 =>   1,362,169 [ 129 compounds]
#4332046: Real =>   12,683,029 [ 255 compounds] | RT2500 =>   2,307,061 [ 255 compounds]
#4332047: Real =>    8,326,439 [ 159 compounds] | RT2500 =>   2,097,611 [ 159 compounds]
#4332048: Real =>      375,274 [   4 compounds] | RT2500 =>     220,148 [   4 compounds]
#4332049: Real =>    3,544,375 [  31 compounds] | RT2500 =>   1,806,645 [  31 compounds]
#4332050: Real =>    8,474,265 [ 161 compounds] | RT2500 =>   2,099,516 [ 161 compounds]
#4332051: Real =>    8,893,734 [ 172 compounds] | RT2500 =>   2,121,499 [ 172 compounds]
#4332052: Real =>    9,159,408 [ 179 compounds] | RT2500 =>   2,134,546 [ 179 compounds]
#4332053: Real =>    8,729,370 [ 162 compounds] | RT2500 =>   2,094,061 [ 162 compounds]
#4332054: Real =>   10,338,847 [ 187 compounds] | RT2500 =>   2,150,107 [ 187 compounds]
#4332055: Real =>    8,850,471 [ 169 compounds] | RT2500 =>   2,109,643 [ 169 compounds]
#4332056: Real =>   12,341,614 [ 231 compounds] | RT2500 =>   2,245,840 [ 231 compounds]
#4332057: Real =>    9,016,744 [ 173 compounds] | RT2500 =>   2,126,352 [ 173 compounds]
#4332058: Real =>    9,509,174 [ 188 compounds] | RT2500 =>   2,157,243 [ 188 compounds]
#4332059: Real =>    8,309,688 [ 153 compounds] | RT2500 =>   2,081,700 [ 153 compounds]
#4332060: Real =>    5,724,770 [  91 compounds] | RT2500 =>   1,081,061 [  91 compounds]
#4332061: Real =>    9,169,348 [ 175 compounds] | RT2500 =>   2,125,666 [ 175 compounds]
#4332062: Real =>    8,666,347 [ 164 compounds] | RT2500 =>   2,106,246 [ 164 compounds]
#4332063: Real =>    8,947,189 [ 157 compounds] | RT2500 =>   1,466,709 [ 157 compounds]
#4332064: Real =>    9,047,803 [ 166 compounds] | RT2500 =>   2,105,644 [ 166 compounds]
#4332065: Real =>    3,821,555 [  39 compounds] | RT2500 =>   1,829,615 [  39 compounds]
#4332066: Real =>    9,325,911 [ 171 compounds] | RT2500 =>   2,111,660 [ 171 compounds]
#4332067: Real =>    9,530,331 [ 182 compounds] | RT2500 =>   2,141,332 [ 182 compounds]
#4332068: Real =>    8,471,682 [ 159 compounds] | RT2500 =>   2,095,076 [ 159 compounds]
#4332069: Real =>   10,698,169 [ 216 compounds] | RT2500 =>   2,225,149 [ 216 compounds]
#4332070: Real =>    8,589,595 [ 164 compounds] | RT2500 =>   2,106,218 [ 164 compounds]
#4332071: Real =>    8,896,394 [ 174 compounds] | RT2500 =>   2,131,121 [ 174 compounds]
#4332072: Real =>    9,298,294 [ 178 compounds] | RT2500 =>   2,140,141 [ 178 compounds]
#4332073: Real =>    6,237,942 [  98 compounds] | RT2500 =>   1,961,477 [  98 compounds]
#4332074: Real =>    3,576,085 [  29 compounds] | RT2500 =>   1,797,247 [  29 compounds]
#4332075: Real =>    3,327,901 [  66 compounds] | RT2500 =>     801,629 [  66 compounds]
#4332076: Real =>    4,192,723 [  78 compounds] | RT2500 =>     942,637 [  78 compounds]
	#4332001: Real => 7,778,731 [ 143 compounds] \| RT2500 => 2,056,713 [ 143 compounds]
	#4332002: Real => 8,634,576 [ 163 compounds] \| RT2500 => 2,109,194 [ 163 compounds]
	#4332003: Real => 4,093,520 [ 41 compounds] \| RT2500 => 1,821,436 [ 41 compounds]
	#4332004: Real => 3,594,826 [ 73 compounds] \| RT2500 => 843,149 [ 73 compounds]
	#4332005: Real => 10,408,696 [ 197 compounds] \| RT2500 => 2,177,517 [ 197 compounds]
	#4332006: Real => 4,289,821 [ 86 compounds] \| RT2500 => 996,587 [ 86 compounds]
	#4332007: Real => 4,350,057 [ 49 compounds] \| RT2500 => 1,849,532 [ 49 compounds]
	#4332008: Real => 8,464,713 [ 159 compounds] \| RT2500 => 2,089,894 [ 159 compounds]
	#4332009: Real => 10,040,629 [ 184 compounds] \| RT2500 => 2,145,940 [ 184 compounds]
	#4332010: Real => 510,640 [ 7 compounds] \| RT2500 => 247,434 [ 7 compounds]
	#4332011: Real => 8,551,289 [ 165 compounds] \| RT2500 => 2,108,424 [ 165 compounds]
	#4332012: Real => 8,351,302 [ 156 compounds] \| RT2500 => 2,085,783 [ 156 compounds]
	#4332013: Real => 8,098,330 [ 155 compounds] \| RT2500 => 2,086,056 [ 155 compounds]
	#4332014: Real => 10,247,973 [ 200 compounds] \| RT2500 => 2,181,544 [ 200 compounds]
	#4332015: Real => 9,823,098 [ 185 compounds] \| RT2500 => 2,148,090 [ 185 compounds]
	#4332016: Real => 11,012,248 [ 219 compounds] \| RT2500 => 2,231,494 [ 219 compounds]
	#4332017: Real => 7,152,290 [ 134 compounds] \| RT2500 => 1,642,887 [ 134 compounds]
	#4332018: Real => 1,654,474 [ 32 compounds] \| RT2500 => 453,590 [ 32 compounds]
	#4332019: Real => 9,282,702 [ 182 compounds] \| RT2500 => 2,146,430 [ 182 compounds]
	#4332020: Real => 9,586,104 [ 190 compounds] \| RT2500 => 2,161,711 [ 190 compounds]
	#4332021: Real => 9,936,294 [ 192 compounds] \| RT2500 => 2,168,854 [ 192 compounds]
	#4332022: Real => 9,531,252 [ 180 compounds] \| RT2500 => 2,134,301 [ 180 compounds]
	#4332023: Real => 8,201,364 [ 154 compounds] \| RT2500 => 2,081,287 [ 154 compounds]
	#4332024: Real => 9,258,877 [ 164 compounds] \| RT2500 => 2,090,924 [ 164 compounds]
	#4332025: Real => 8,658,162 [ 158 compounds] \| RT2500 => 2,095,517 [ 158 compounds]
	#4332026: Real => 8,326,439 [ 159 compounds] \| RT2500 => 2,097,611 [ 159 compounds]
	#4332027: Real => 11,378,835 [ 228 compounds] \| RT2500 => 2,252,013 [ 228 compounds]
	#4332028: Real => 3,560,982 [ 31 compounds] \| RT2500 => 1,798,928 [ 31 compounds]
	#4332029: Real => 12,000,899 [ 233 compounds] \| RT2500 => 2,252,931 [ 233 compounds]
	#4332030: Real => 9,732,328 [ 196 compounds] \| RT2500 => 2,180,269 [ 196 compounds]
	#4332031: Real => 9,285,546 [ 182 compounds] \| RT2500 => 2,149,021 [ 182 compounds]
	#4332032: Real => 9,205,746 [ 149 compounds] \| RT2500 => 2,036,497 [ 149 compounds]
	#4332033: Real => 9,367,141 [ 182 compounds] \| RT2500 => 2,146,458 [ 182 compounds]
	#4332034: Real => 9,010,452 [ 167 compounds] \| RT2500 => 2,107,850 [ 167 compounds]
	#4332035: Real => 8,858,397 [ 173 compounds] \| RT2500 => 2,128,887 [ 173 compounds]
	#4332036: Real => 10,914,010 [ 214 compounds] \| RT2500 => 2,220,208 [ 214 compounds]
	#4332037: Real => 8,890,153 [ 174 compounds] \| RT2500 => 1,858,765 [ 174 compounds]
	#4332038: Real => 8,036,773 [ 159 compounds] \| RT2500 => 1,716,818 [ 159 compounds]
	#4332039: Real => 8,105,521 [ 148 compounds] \| RT2500 => 2,065,348 [ 148 compounds]
	#4332040: Real => 9,005,540 [ 155 compounds] \| RT2500 => 2,060,510 [ 155 compounds]
	#4332041: Real => 3,881,575 [ 38 compounds] \| RT2500 => 1,809,440 [ 38 compounds]
	#4332042: Real => 8,005,447 [ 147 compounds] \| RT2500 => 2,068,268 [ 147 compounds]
	#4332043: Real => 3,289,835 [ 69 compounds] \| RT2500 => 743,500 [ 69 compounds]
	#4332044: Real => 9,807,963 [ 187 compounds] \| RT2500 => 2,144,757 [ 187 compounds]
	#4332045: Real => 6,407,055 [ 129 compounds] \| RT2500 => 1,362,169 [ 129 compounds]
	#4332046: Real => 12,683,029 [ 255 compounds] \| RT2500 => 2,307,061 [ 255 compounds]
	#4332047: Real => 8,326,439 [ 159 compounds] \| RT2500 => 2,097,611 [ 159 compounds]
	#4332048: Real => 375,274 [ 4 compounds] \| RT2500 => 220,148 [ 4 compounds]
	#4332049: Real => 3,544,375 [ 31 compounds] \| RT2500 => 1,806,645 [ 31 compounds]
	#4332050: Real => 8,474,265 [ 161 compounds] \| RT2500 => 2,099,516 [ 161 compounds]
	#4332051: Real => 8,893,734 [ 172 compounds] \| RT2500 => 2,121,499 [ 172 compounds]
	#4332052: Real => 9,159,408 [ 179 compounds] \| RT2500 => 2,134,546 [ 179 compounds]
	#4332053: Real => 8,729,370 [ 162 compounds] \| RT2500 => 2,094,061 [ 162 compounds]
	#4332054: Real => 10,338,847 [ 187 compounds] \| RT2500 => 2,150,107 [ 187 compounds]
	#4332055: Real => 8,850,471 [ 169 compounds] \| RT2500 => 2,109,643 [ 169 compounds]
	#4332056: Real => 12,341,614 [ 231 compounds] \| RT2500 => 2,245,840 [ 231 compounds]
	#4332057: Real => 9,016,744 [ 173 compounds] \| RT2500 => 2,126,352 [ 173 compounds]
	#4332058: Real => 9,509,174 [ 188 compounds] \| RT2500 => 2,157,243 [ 188 compounds]
	#4332059: Real => 8,309,688 [ 153 compounds] \| RT2500 => 2,081,700 [ 153 compounds]
	#4332060: Real => 5,724,770 [ 91 compounds] \| RT2500 => 1,081,061 [ 91 compounds]
	#4332061: Real => 9,169,348 [ 175 compounds] \| RT2500 => 2,125,666 [ 175 compounds]
	#4332062: Real => 8,666,347 [ 164 compounds] \| RT2500 => 2,106,246 [ 164 compounds]
	#4332063: Real => 8,947,189 [ 157 compounds] \| RT2500 => 1,466,709 [ 157 compounds]
	#4332064: Real => 9,047,803 [ 166 compounds] \| RT2500 => 2,105,644 [ 166 compounds]
	#4332065: Real => 3,821,555 [ 39 compounds] \| RT2500 => 1,829,615 [ 39 compounds]
	#4332066: Real => 9,325,911 [ 171 compounds] \| RT2500 => 2,111,660 [ 171 compounds]
	#4332067: Real => 9,530,331 [ 182 compounds] \| RT2500 => 2,141,332 [ 182 compounds]
	#4332068: Real => 8,471,682 [ 159 compounds] \| RT2500 => 2,095,076 [ 159 compounds]
	#4332069: Real => 10,698,169 [ 216 compounds] \| RT2500 => 2,225,149 [ 216 compounds]
	#4332070: Real => 8,589,595 [ 164 compounds] \| RT2500 => 2,106,218 [ 164 compounds]
	#4332071: Real => 8,896,394 [ 174 compounds] \| RT2500 => 2,131,121 [ 174 compounds]
	#4332072: Real => 9,298,294 [ 178 compounds] \| RT2500 => 2,140,141 [ 178 compounds]
	#4332073: Real => 6,237,942 [ 98 compounds] \| RT2500 => 1,961,477 [ 98 compounds]
	#4332074: Real => 3,576,085 [ 29 compounds] \| RT2500 => 1,797,247 [ 29 compounds]
	#4332075: Real => 3,327,901 [ 66 compounds] \| RT2500 => 801,629 [ 66 compounds]
	#4332076: Real => 4,192,723 [ 78 compounds] \| RT2500 => 942,637 [ 78 compounds]