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path: root/java/resources/aspirin2D.numeric.mol
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-rw-r--r--java/resources/aspirin2D.numeric.mol56381
1 files changed, 0 insertions, 56381 deletions
diff --git a/java/resources/aspirin2D.numeric.mol b/java/resources/aspirin2D.numeric.mol
deleted file mode 100644
index 460ac31..0000000
--- a/java/resources/aspirin2D.numeric.mol
+++ /dev/null
@@ -1,56381 +0,0 @@
-aspirin 2D deprotonated
- -ISIS- 2D
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsElectronegative:95>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomKekuleBondOrderSum:6>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsElectronegative:94>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsElectronegative:93>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomKekuleBondOrderSum:4>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsElectronegative:92>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsElectronegative:91>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomKekuleBondOrderSum:2>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsElectronegative:90>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomKekuleBondOrderSum:1>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomKekuleBondOrderSum:0>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsSulfur:86>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsSulfur:84>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsSulfur:77>
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-> <joelib2.feature.types.atomlabel.AtomKekuleBondOrderSum>
-atom label
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-joelib2.feature.types.atomlabel.AtomFreeElectronsCount
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsElectronegative:73>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsElectronegative:71>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAlphaBetaUnsaturated:82>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAlphaBetaUnsaturated:80>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsSulfur:68>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsSulfur:67>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsSulfur:66>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsSulfur:65>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsSulfur:64>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsSulfur:63>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsSulfur:62>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsSulfur:61>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsSulfur:60>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomInRingsCount:12>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomInRingsCount:11>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsElectronegative:69>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomInRingsCount:10>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsElectronegative:68>
-8.589308693966695E-1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsElectronegative:67>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsElectronegative:66>
-4.5289369869370877E-1
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.CharacteristicPolynomialCoefficients:6>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsElectronegative:65>
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.CharacteristicPolynomialCoefficients:5>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsElectronegative:64>
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-5.783767971261475E-3
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:166>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:165>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:164>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:163>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:162>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:161>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:160>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:119>
-2.3258696208053466E-2
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:118>
-8.254259736852687E-2
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:117>
-2.5852000045969536E-1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:116>
-7.145676099368476E-1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:115>
-1.7431924140090245
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:114>
-3.7535236072180327
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:113>
-7.135133751966394
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:159>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:112>
-1.1978083204901022E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:158>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:111>
-1.777039946289458E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:157>
-0.0
-
-> <joelib2.feature.types.atomlabel.AtomIsPhosphateOxygen>
-atom label
-versionID -552484882
-boolean 0,1
-boolean
-13
-0
-0
-0
-0
-0
-0
-0
-0
-0
-0
-0
-0
-0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:110>
-2.3330619128775417E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:156>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:155>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:154>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:153>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:152>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:151>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:150>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:109>
-2.717894254950999E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:108>
-2.8237784828870915E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:107>
-2.6412410829627863E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:106>
-2.2605720528816356E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:105>
-1.8147496619477806E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:104>
-1.408649189054109E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:103>
-1.0851489670528611E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:149>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:102>
-8.413844330867443
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:148>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:101>
-6.67856382442344
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:147>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:100>
-5.742253852891787
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:146>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:145>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:144>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:143>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:142>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:141>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:140>
-0.0
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomIsPhosphateOxygen>
-joelib2.feature.types.atomlabel.AtomIsPhosphateOxygen
-7
-0.0
-0.0
-0.0
-0.0
-0.0
-0.0
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:139>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:138>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:137>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:136>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:135>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:134>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:133>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:132>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:131>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:130>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:129>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:128>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:127>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:126>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:125>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:124>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:123>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:122>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:121>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:120>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPositive:196>
-0.0
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen>
-joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen
-7
-4.0
-0.0
-2.0
-0.0
-0.0
-0.0
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPositive:195>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPositive:194>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPositive:193>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPositive:192>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPositive:191>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPositive:190>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:119>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:118>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:117>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:116>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:115>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:114>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:113>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:112>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:111>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:110>
-0.0
-
-> <joelib2.feature.types.APropertyDistanceMatrix>
-13 13
-0
-1
-2
-3
-2
-1
-2147483647
-2147483647
-2147483647
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-2147483647
-2147483647
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-1
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-2147483647
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-2147483647
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-3
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-1
-2
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-0
-2147483647
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-2147483647
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-1
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-2147483647
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-2147483647
-2147483647
-1
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-0
-2147483647
-2147483647
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-0
-2147483647
-2147483647
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-2147483647
-2147483647
-2147483647
-2147483647
-2147483647
-2147483647
-0
-
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPositive:189>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPositive:188>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPositive:187>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPositive:186>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPositive:185>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPositive:184>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPositive:183>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPositive:182>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPositive:181>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPositive:180>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:109>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:108>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:107>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:106>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:105>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:104>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:103>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:102>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:101>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:100>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPositive:179>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPositive:178>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPositive:177>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPositive:176>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPositive:175>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPositive:174>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPositive:173>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPositive:172>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPositive:171>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPositive:170>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPositive:169>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPositive:168>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPositive:167>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPositive:166>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPositive:165>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPositive:164>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPositive:163>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPositive:162>
-0.0
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsUnsaturated:12>
-6.337707768872241E-4
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPositive:161>
-0.0
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsUnsaturated:11>
-1.0000000000000185E-3
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPositive:160>
-0.0
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsUnsaturated:10>
-9.36599566826956E-3
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPositive:159>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPositive:158>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPositive:157>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPositive:156>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPositive:155>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPositive:154>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPositive:153>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPositive:152>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPositive:151>
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-> <joelib2.feature.types.atomlabel.AtomIsAxial>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPositive:132>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPositive:104>
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomIsSulfur>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomVanDerWaalsVolume:2>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomVanDerWaalsVolume:0>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsHalogen:7>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsHalogen:5>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrotopologicalState:84>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrotopologicalState:83>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrotopologicalState:82>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrotopologicalState:81>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrotopologicalState:80>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrotopologicalState:76>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrotopologicalState:75>
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-3.7550100362239405E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrotopologicalState:68>
-3.379434280070025E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrotopologicalState:67>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrotopologicalState:66>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrotopologicalState:65>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrotopologicalState:64>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrotopologicalState:63>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrotopologicalState:62>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrotopologicalState:61>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrotopologicalState:60>
-3.148519405180206E1
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomKekuleBondOrderSum:9>
-1.9952408652631475
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomKekuleBondOrderSum:8>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrotopologicalState:59>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrotopologicalState:58>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrotopologicalState:57>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrotopologicalState:53>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrotopologicalState:51>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrotopologicalState:50>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNonPolarHydrogen:196>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNonPolarHydrogen:195>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNonPolarHydrogen:194>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNonPolarHydrogen:193>
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-> <joelib2.feature.types.RadialDistributionFunction_B1.0:joelib2.feature.types.atomlabel.AtomInAromaticSystem>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:69>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInDonor:17>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:68>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInDonor:16>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:67>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInDonor:15>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:66>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInDonor:14>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:65>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInDonor:13>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:64>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInDonor:12>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:63>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInDonor:11>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:62>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInDonor:10>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:61>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:60>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInDonAcc:59>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInDonAcc:58>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInDonAcc:57>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInDonAcc:56>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInDonAcc:55>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInDonAcc:54>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInDonAcc:53>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInDonAcc:52>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInDonAcc:51>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInDonAcc:50>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:59>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:58>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:57>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:56>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:55>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:54>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:53>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:52>
-0.0
-
-> <joelib2.feature.types.atomlabel.AtomInDonAcc>
-atom label
-versionID 2884365
-boolean 0,1
-boolean
-13
-0
-0
-0
-0
-0
-0
-0
-0
-0
-0
-0
-0
-0
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomIsNegative>
-joelib2.feature.types.atomlabel.AtomIsNegative
-7
-2.0
-0.0
-0.0
-0.0
-0.0
-0.0
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:51>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:50>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInDonAcc:49>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInDonAcc:48>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInDonAcc:47>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInDonAcc:46>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInDonAcc:45>
-0.0
-
-> <joelib2.feature.types.atomlabel.AtomENPauling>
-atom label
-versionID -1218192986
-64-bit floating point IEEE 754
-double
-13
-2.5
-2.5
-2.5
-2.5
-2.5
-2.5
-2.5
-3.5
-2.5
-3.5
-2.5
-3.5
-3.5
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInDonAcc:44>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInDonAcc:43>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInDonAcc:42>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInDonAcc:41>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInDonAcc:40>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:9>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:8>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:7>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:6>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:5>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:4>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:3>
-0.0
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:12>
-6.012329834614992E-4
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:2>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:49>
-0.0
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:11>
-9.999999999999807E-4
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:1>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:48>
-0.0
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:10>
-1.000000000000013E-3
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:0>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:47>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:46>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:45>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:44>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:43>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:42>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:41>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:40>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInDonAcc:39>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInDonAcc:38>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInDonAcc:37>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInDonAcc:36>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInDonAcc:35>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInDonAcc:34>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInDonAcc:33>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInDonAcc:32>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInDonAcc:31>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInDonAcc:30>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:39>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:38>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:37>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:36>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:35>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:34>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:33>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:32>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:31>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:30>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInDonAcc:29>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInDonAcc:28>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInDonAcc:27>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInDonAcc:26>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInDonAcc:25>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInDonAcc:24>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInDonAcc:23>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInDonAcc:22>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInDonAcc:21>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInDonAcc:20>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:29>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:28>
-0.0
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsSulfur:12>
-6.012329834614992E-4
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:27>
-0.0
-
-> <joelib2.feature.types.GlobalTopologicalChargeIndex:joelib2.feature.types.atomlabel.AtomValence>
-joelib2.feature.types.atomlabel.AtomValence
-1.6284027777777776
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsSulfur:11>
-9.999999999999807E-4
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:26>
-0.0
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsSulfur:10>
-1.000000000000013E-3
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:25>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:24>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:23>
-0.0
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.IntrinsicState:12>
-1.3836706636982063
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:22>
-0.0
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.IntrinsicState:11>
-1.4784152906337875
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:21>
-0.0
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomInAcceptor:6>
-4.0
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.IntrinsicState:10>
-1.603072982873937
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:20>
-0.0
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomInAcceptor:5>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInDonAcc:19>
-0.0
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomInAcceptor:4>
-4.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInDonAcc:18>
-0.0
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomInAcceptor:3>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInDonAcc:17>
-0.0
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomInAcceptor:2>
-4.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInDonAcc:16>
-0.0
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomInAcceptor:1>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInDonAcc:15>
-0.0
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomInAcceptor:0>
-8.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInDonAcc:14>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInDonAcc:13>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInDonAcc:12>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInDonAcc:11>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInDonAcc:10>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:19>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:18>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:17>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:16>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:15>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:14>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:13>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:12>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:11>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:10>
-0.0
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsHeteroatom>
-joelib2.feature.types.atomlabel.AtomIsHeteroatom
-13
-1.0576947141836663
-1.0521713524150003
-1.007176296389558
-9.991618216264953E-1
-3.0736891510075914E-1
-3.05329880123951E-1
-1.75969577694941E-1
-1.6187411549721797E-1
-1.5278662228693965E-1
-1.4532959071622797E-1
-1.354360692739616E-1
-8.395808395748199E-2
-4.113467055299613E-2
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.ConjElectroTopolState:9>
-9.522019125691314E-1
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.ConjElectroTopolState:8>
-1.2501719422903181
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.ConjElectroTopolState:7>
-1.8530849190391627
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.ConjElectroTopolState:6>
-1.8598822830810693
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.ConjElectroTopolState:5>
-2.036060878770259
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.ConjElectroTopolState:4>
-2.0405728268450263
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.ConjElectroTopolState:3>
-2.2268967657571515
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.ConjElectroTopolState:2>
-2.3520792884999175
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.ConjElectroTopolState:1>
-4.016012465403372
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.ConjElectroTopolState:0>
-7.754517925093809
-
-> <joelib2.feature.types.atomlabel.AtomIsAromaticNOxide>
-atom label
-versionID -1686946953
-boolean 0,1
-boolean
-13
-0
-0
-0
-0
-0
-0
-0
-0
-0
-0
-0
-0
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-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHeteroatom:9>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHeteroatom:8>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHeteroatom:7>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHeteroatom:6>
-7.212171435141122E-29
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHeteroatom:5>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHeteroatom:4>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHeteroatom:3>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHeteroatom:2>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHeteroatom:1>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHeteroatom:0>
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.ConjugatedTopologicalDistance:6>
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.ConjugatedTopologicalDistance:5>
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.ConjugatedTopologicalDistance:4>
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.ConjugatedTopologicalDistance:3>
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.ConjugatedTopologicalDistance:2>
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.ConjugatedTopologicalDistance:1>
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.ConjugatedTopologicalDistance:0>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.ElectrotopologicalState>
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.GraphPotentials:6>
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.GraphPotentials:5>
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.GraphPotentials:4>
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.GraphPotentials:3>
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.GraphPotentials:2>
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.GraphPotentials:1>
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.GraphPotentials:0>
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-> <joelib2.feature.types.atomlabel.AtomFreeElectronsCount>
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-13
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomHeteroValence:6>
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomHeteroValence:5>
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomHeteroValence:4>
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomHeteroValence:3>
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomHeteroValence:2>
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomHeteroValence:1>
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomHeteroValence:0>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomElectronAffinity>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomInRing>
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-> <joelib2.feature.types.RadialDistributionFunction_B1.0:joelib2.feature.types.atomlabel.AtomImplicitHydrogenCount>
-joelib2.feature.types.atomlabel.AtomImplicitHydrogenCount
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-> <joelib2.feature.types.RadialDistributionFunction_B1.0:joelib2.feature.types.atomlabel.AtomInDonor>
-joelib2.feature.types.atomlabel.AtomInDonor
-197
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-> <joelib2.feature.types.GlobalTopologicalChargeIndex:joelib2.feature.types.atomlabel.AtomImplicitHydrogenCount>
-joelib2.feature.types.atomlabel.AtomImplicitHydrogenCount
-8.367361111111113E-1
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomInConjEnvironment:6>
-8.0
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomInConjEnvironment:5>
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomInConjEnvironment:4>
-2.0E1
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomInConjEnvironment:3>
-2.2E1
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomInConjEnvironment:2>
-2.2E1
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomInConjEnvironment:1>
-2.0E1
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomInConjEnvironment:0>
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-> <joelib2.feature.types.RadialDistributionFunction_B1.0:joelib2.feature.types.atomlabel.AtomIsPhosphorus>
-joelib2.feature.types.atomlabel.AtomIsPhosphorus
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-> <joelib2.feature.types.TopologicalDiameter>
-6
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-> <joelib2.feature.types.RadialDistributionFunction_B1.0:joelib2.feature.types.atomlabel.AtomBondOrderSum>
-joelib2.feature.types.atomlabel.AtomBondOrderSum
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsClockwise:8>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsClockwise:7>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsClockwise:6>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsClockwise:5>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsClockwise:4>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsClockwise:3>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsClockwise:2>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsClockwise:0>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrotopologicalState:196>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrotopologicalState:195>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrotopologicalState:192>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrotopologicalState:191>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrotopologicalState:190>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrotopologicalState:189>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrotopologicalState:188>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrotopologicalState:187>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrotopologicalState:185>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrotopologicalState:184>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrotopologicalState:183>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrotopologicalState:182>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrotopologicalState:181>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrotopologicalState:180>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrotopologicalState:179>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrotopologicalState:178>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrotopologicalState:177>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrotopologicalState:176>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrotopologicalState:175>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrotopologicalState:174>
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-> <joelib2.feature.types.ConjElectroTopolState>
-atom label
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-> <joelib2.feature.types.count.HBD1>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomInAcceptor:10>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrotopologicalState:156>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsSulfateOxygen:7>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrotopologicalState:141>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrotopologicalState:140>
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-> <joelib2.feature.types.count.HBA2>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.GraphPotentials:99>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.GraphPotentials:97>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrotopologicalState:136>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENAllredRochow:0>
-3.4837442566388086E-10
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomENAllredRochow:6>
-1.14E2
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomENAllredRochow:5>
-1.725E2
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomENAllredRochow:4>
-2.465E2
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomENAllredRochow:3>
-2.4E2
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomENAllredRochow:2>
-2.665E2
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomENAllredRochow:1>
-1.875E2
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomENAllredRochow:0>
-2.105E2
-
-> <joelib2.feature.types.GlobalTopologicalChargeIndex:joelib2.feature.types.atomlabel.AtomIsNegative>
-joelib2.feature.types.atomlabel.AtomIsNegative
-5.867361111111112E-1
-
-> <joelib2.feature.types.atomlabel.AtomIsPhosphorus>
-atom label
-versionID 71999962
-boolean 0,1
-boolean
-13
-0
-0
-0
-0
-0
-0
-0
-0
-0
-0
-0
-0
-0
-
-> <joelib2.feature.types.SSKey3DS>
-54
-1
-1
-1
-0
-0
-1
-0
-0
-0
-0
-0
-0
-0
-0
-0
-0
-0
-0
-0
-0
-0
-1
-0
-0
-0
-0
-0
-0
-0
-0
-0
-0
-0
-0
-0
-0
-0
-0
-1
-0
-1
-0
-1
-0
-1
-1
-1
-0
-0
-0
-0
-0
-0
-0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:99>
-3.5577130036233E-100
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:98>
-6.456325568400945E-97
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:97>
-1.0339823437926852E-93
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:96>
-1.461349224132619E-90
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:95>
-1.822670202088028E-87
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:94>
-2.0062052546734744E-84
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:93>
-1.9487486321401374E-81
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:92>
-1.6705115122076213E-78
-
-> <SMARTS_c_[ClX1][CX4]>
-0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:91>
-1.2637358684532562E-75
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:90>
-8.436772555549705E-73
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:99>
-1.8992012051088971
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:98>
-2.3717127078739435
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:97>
-3.169202412175243
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:96>
-4.081277358772891
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:95>
-4.801218600442048
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:94>
-5.070114493162735
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:93>
-4.832098229156761
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:92>
-4.313540423563014
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:91>
-3.9827759877709172
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:90>
-4.41275798350789
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:89>
-4.970608521938981E-70
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:88>
-2.5843776029774813E-67
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:87>
-1.1858112520247367E-64
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:86>
-4.801626280677534E-62
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:85>
-1.7158303006796655E-59
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:84>
-5.410949747861355E-57
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:83>
-1.505864371227112E-54
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues>
-joelib2.feature.types.atomlabel.AtomPartialCharge
-13
-6.256265605222116E-1
-5.453136076780826E-1
-4.6120053350444074E-1
-4.3854902099953935E-1
-3.739579650201986E-1
-3.149982946783811E-1
-2.6878990715692863E-1
-2.1601782762588875E-1
-2.0101417043593614E-1
-1.34482347280229E-1
-1.1982542323323006E-1
-8.939006245594815E-2
-8.834321895046664E-2
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:82>
-3.698378920919214E-52
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:81>
-8.0158603433043875E-50
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:80>
-1.5332115024408543E-47
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:89>
-6.095800019362605
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:88>
-9.250051611430418
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:87>
-1.3667392243037911E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:86>
-1.868681648018317E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:85>
-2.335719882386521E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:84>
-2.673785320937957E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:83>
-2.8176962691671253E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:82>
-2.7441134000245473E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:81>
-2.4709237361546705E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:80>
-2.0515996912977847E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:79>
-2.5880173600719448E-45
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:78>
-3.8551873779749745E-43
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:77>
-5.068004447880836E-41
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:76>
-5.879517306942674E-39
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:75>
-6.019487938608106E-37
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:74>
-5.438643773571981E-35
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:73>
-4.336455247988677E-33
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:72>
-3.0513520242295716E-31
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:71>
-1.8947981331457184E-29
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:70>
-1.0383571851939011E-27
-
-> <joelib2.feature.types.atomlabel.AtomBondOrderSum>
-atom label
-versionID -1843770119
-32-bit integer
-int
-13
-3
-3
-4
-4
-3
-3
-4
-2
-4
-2
-1
-1
-2
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:79>
-1.5671923768111819E1
-
-> <joelib2.feature.types.atomlabel.AtomIsSulfateOxygen>
-atom label
-versionID 83830674
-boolean 0,1
-boolean
-13
-0
-0
-0
-0
-0
-0
-0
-0
-0
-0
-0
-0
-0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:78>
-1.1128404212511187E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:77>
-7.805953815070901
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:76>
-6.467436355139572
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:75>
-7.658813364595976
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:74>
-1.1610083040904629E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:73>
-1.799196586048669E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:72>
-2.5643042667239445E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:71>
-3.2614157364540034E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:70>
-3.679786883224326E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:69>
-5.021619319943976E-26
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:68>
-2.1431570162400133E-24
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:67>
-8.071929942584421E-23
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:66>
-2.682958575580374E-21
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:65>
-7.869800813492098E-20
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:64>
-2.037167332277786E-18
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:63>
-4.6537479285054663E-17
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:62>
-9.381930216520378E-16
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:61>
-1.669147554413125E-14
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:60>
-2.620658626725126E-13
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:69>
-3.6958438529213645E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:68>
-3.352972804137035E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:67>
-2.85800496066453E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:66>
-2.4880415018568627E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:65>
-2.458044350689667E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:64>
-2.816725117902552E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:63>
-3.418270817038104E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:62>
-3.984442010094683E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:61>
-4.2338044711260025E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:60>
-4.01592020311037E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:59>
-3.631109653409585E-12
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:58>
-4.4399846178410216E-11
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:57>
-4.791116781411672E-10
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:56>
-4.562524795611034E-9
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:55>
-3.834307229598148E-8
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:54>
-2.843686844971145E-7
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:53>
-1.86118618045624E-6
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:52>
-1.0750064232404064E-5
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:51>
-5.479557505035433E-5
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:50>
-2.4648648322979046E-4
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:59>
-3.3749039933158485E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:58>
-2.5063586823383055E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:57>
-1.6437163476805605E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:56>
-9.529275060453536
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:55>
-4.929888491590547
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:54>
-2.4275773176023225
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:53>
-1.5574659824664792
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:52>
-2.0509008110385682
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:51>
-4.010296559635161
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:50>
-7.784966042372633
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:49>
-9.784844264645151E-4
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:48>
-3.4278982071971214E-3
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:47>
-1.0597785026855752E-2
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:46>
-2.891448652378837E-2
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:45>
-6.961920388018608E-2
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:44>
-1.4792984792373823E-1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:43>
-2.773931668257728E-1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:42>
-4.590382722641573E-1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:41>
-6.703710078582161E-1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:40>
-8.639621983801755E-1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:49>
-1.359996687137377E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:48>
-2.1106731182763465E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:47>
-2.9188898844247426E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:46>
-3.63584663505558E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:45>
-4.170557846534724E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:44>
-4.5775602095046715E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:43>
-5.049885518109101E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:42>
-5.784351810927212E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:41>
-6.79488377688051E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:40>
-7.820278838872873E1
-
-> <joelib2.feature.types.GlobalTopologicalChargeIndex:joelib2.feature.types.atomlabel.AtomIsSulfur>
-joelib2.feature.types.atomlabel.AtomIsSulfur
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:33>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomElectronAffinity:8>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:37>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:35>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:34>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:33>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:24>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:22>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:21>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:20>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:98>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:96>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:95>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:19>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:18>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:17>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:90>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:16>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:15>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:14>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:13>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:12>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:11>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:10>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHybridisation:9>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHybridisation:8>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHybridisation:7>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHybridisation:6>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHybridisation:5>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHybridisation:4>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHybridisation:3>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:18>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHybridisation:2>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHybridisation:1>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHybridisation:0>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:11>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:10>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:88>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:87>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:86>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:77>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:76>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:75>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:74>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:73>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomMass:192>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomMass:191>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomMass:190>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomMass:189>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomMass:188>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitroOxygen:103>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitroOxygen:102>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitroOxygen:101>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitroOxygen:100>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:179>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:171>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:170>
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-> <joelib2.feature.types.ConjugatedTopologicalDistance>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:163>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:162>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:161>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:159>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:158>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:157>
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-> <joelib2.feature.types.RadialDistributionFunction_B1.0:joelib2.feature.types.atomlabel.AtomIsCarbon>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:91>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:90>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:108>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:107>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:106>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:104>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:103>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:102>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:101>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:89>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:87>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:86>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:85>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:81>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:80>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:79>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:78>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:77>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:76>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:67>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:66>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:65>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:64>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:63>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:62>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:61>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:60>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPhosphateOxygen:9>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPhosphateOxygen:6>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPhosphateOxygen:5>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPhosphateOxygen:4>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPhosphateOxygen:3>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPhosphateOxygen:2>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:59>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPhosphateOxygen:1>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:58>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPhosphateOxygen:0>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:57>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:56>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:55>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:54>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:53>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:52>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:51>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:50>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:49>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:48>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:47>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:46>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:45>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:44>
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-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomENSanderson:6>
-1.1136540249786378E2
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:43>
-0.0
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomENSanderson:5>
-1.6845400383567812E2
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:42>
-0.0
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomENSanderson:4>
-2.4074400545692447E2
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:41>
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-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomENSanderson:3>
-2.3435360535278323E2
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:40>
-0.0
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomENSanderson:2>
-2.6025700591850284E2
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomENSanderson:1>
-1.8307640419349673E2
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomENSanderson:0>
-2.0558900465583804E2
-
-> <joelib2.feature.types.RadialDistributionFunction_B1.0:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide>
-joelib2.feature.types.atomlabel.AtomIsAromaticNOxide
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:39>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:38>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:37>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:36>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:35>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:34>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:33>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:32>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:31>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:30>
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-> <joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:29>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:28>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:27>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:26>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:25>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:24>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:23>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:22>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:21>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:20>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomHeavyValence:12>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomHeavyValence:11>
-9.744704230559359E-1
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomHeavyValence:10>
-9.990000000000003E-1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:19>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:18>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:17>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:16>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:15>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:14>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:13>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:12>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:11>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:10>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomInConjEnvironment:9>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomInConjEnvironment:8>
-7.788827820201278E-1
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomInConjEnvironment:7>
-8.527857883303248E-1
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomInConjEnvironment:6>
-8.683860440927411E-1
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomIsPolarHydrogen>
-joelib2.feature.types.atomlabel.AtomIsPolarHydrogen
-7
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomInConjEnvironment:5>
-9.991734401321419E-1
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomInConjEnvironment:4>
-1.1333629314591989
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomInConjEnvironment:3>
-1.150154783140773
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomInConjEnvironment:2>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomInConjEnvironment:1>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomInConjEnvironment:0>
-1.3192365082420743
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-> <joelib2.feature.types.GlobalTopologicalChargeIndex:joelib2.feature.types.atomlabel.AtomIsPolarHydrogen>
-joelib2.feature.types.atomlabel.AtomIsPolarHydrogen
-5.450694444444446E-1
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomInRingsCount:6>
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomInRingsCount:5>
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomInRingsCount:4>
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-3.7723365821134836E-141
-4.0407272476223115E-145
-3.8196346801467564E-149
-3.186378111700124E-153
-2.3457729987037645E-157
-1.5240101045379665E-161
-8.737816110089079E-166
-4.421108216532768E-170
-1.9741156013879874E-174
-7.779061531826936E-179
-2.7051728706169348E-183
-8.301871953325336E-188
-2.2483826662900383E-192
-5.373751965484084E-197
-1.1334391150377568E-201
-0.0
-
-> <joelib2.feature.types.count.HeavyBonds>
-13
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsSulfur:9>
-1.3847590466042647E-1
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsSulfur:8>
-1.4013947087376244E-1
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsSulfur:7>
-1.6189150020817084E-1
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsSulfur:6>
-1.636891426159846E-1
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsSulfur:5>
-2.4274938339637614E-1
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsSulfur:4>
-2.442711882137435E-1
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsSulfur:3>
-2.578778972600737E-1
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsSulfur:2>
-2.5869202887213205E-1
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsSulfur:1>
-3.2065191471810545E-1
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsSulfur:0>
-3.290502927521424E-1
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomENAllredRochow>
-joelib2.feature.types.atomlabel.AtomENAllredRochow
-13
-3.5576947141836666
-3.5521713524150003
-3.507176296389558
-3.499161821626497
-2.805329880123952
-2.6618741154972185
-2.6453295907162286
-2.5839580839574814
-2.4588653294470038
-2.3645639307260375
-2.347213377713061
-2.3240304223050585
-2.192631084899241
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsNegative>
-joelib2.feature.types.atomlabel.AtomIsNegative
-13
-1.012720886385729
-3.241846935130252E-1
-3.1834483432029204E-1
-2.576826645784734E-1
-2.568353368002547E-1
-2.3014674005794422E-1
-2.1928283771095186E-1
-1.6344122633003813E-1
-1.6149763253587515E-1
-1.369655455344431E-1
-1.3384442516798342E-1
-1.0000000000000163E-3
-7.848012926289323E-4
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomIsUnsaturated>
-joelib2.feature.types.atomlabel.AtomIsUnsaturated
-7
-1.4E1
-1.2E1
-1.4E1
-1.0E1
-4.0
-2.0
-0.0
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomKekuleBondOrderSum:12>
-9.959205937322574E-1
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomKekuleBondOrderSum:11>
-1.9727872940564875
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomKekuleBondOrderSum:10>
-1.9784510594446554
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:99>
-8.234341199989802E-4
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:98>
-4.792246309734788E-3
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:97>
-2.4612889076863865E-2
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:96>
-1.1155762172615508E-1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:95>
-4.462200591256701E-1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:94>
-1.5751144711277785
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:93>
-4.906686869114199
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:92>
-1.3488937893230965E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:91>
-3.2725052840481325E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:90>
-7.006419678701144E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:89>
-1.323808388010646E2
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:88>
-2.2073301697665332E2
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:87>
-3.2480496532118593E2
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:86>
-4.2178507685263537E2
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:85>
-4.8336249528356484E2
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:84>
-4.888412879382464E2
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:83>
-4.362907437193419E2
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:82>
-3.4363493442602686E2
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:81>
-2.388536087336986E2
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:80>
-1.4651412376863348E2
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:79>
-7.931225480447812E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:78>
-3.788898447873685E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:77>
-1.5972529246356375E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:76>
-5.935687354822951
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:75>
-1.906065010628884
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:74>
-3.171865822479555E-1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:73>
--1.0582065262608373
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomHeteroValence>
-joelib2.feature.types.atomlabel.AtomHeteroValence
-7
-7.8E1
-8.2E1
-1.12E2
-9.0E1
-6.6E1
-3.6E1
-1.6E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:72>
--5.111233714584531
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:71>
--1.9407081270662736E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:70>
--6.465881741228254E1
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.CharacteristicPolynomialCoefficients>
-joelib2.feature.types.CharacteristicPolynomialCoefficients
-7
-7.1284E4
-1.4396E4
--2.2842E4
--3.7912E4
-0.0
-1.0716E4
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:69>
--1.900544530459589E2
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:68>
--4.929860732879529E2
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:67>
--1.1285065346415538E3
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:66>
--2.279747121468856E3
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:65>
--4.0642691650399256E3
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:64>
--6.394276884099272E3
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:63>
--8.877968577064761E3
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:62>
--1.087799762242171E4
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:61>
--1.1762442484981255E4
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:60>
--1.1224301191230703E4
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPhosphateOxygen:99>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPhosphateOxygen:98>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPhosphateOxygen:97>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPhosphateOxygen:96>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPhosphateOxygen:95>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPhosphateOxygen:94>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPhosphateOxygen:93>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPhosphateOxygen:92>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:59>
--9.45223929758947E3
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPhosphateOxygen:91>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:58>
--7.024675074950674E3
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPhosphateOxygen:90>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:57>
--4.607361520039738E3
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:56>
--2.6677542568530725E3
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:55>
--1.366680265051903E3
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:54>
--6.292963715328141E2
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:53>
--2.885014214800463E2
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:52>
--1.983117322486679E2
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:51>
--2.7929022513014417E2
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:50>
--5.088237341101242E2
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPhosphateOxygen:89>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPhosphateOxygen:88>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPhosphateOxygen:87>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPhosphateOxygen:86>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPhosphateOxygen:85>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPhosphateOxygen:84>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPhosphateOxygen:83>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPhosphateOxygen:82>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:49>
--8.836758510655138E2
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPhosphateOxygen:81>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:48>
--1.381111781540866E3
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPhosphateOxygen:80>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:47>
--1.9452625599349421E3
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:46>
--2.5191262833565484E3
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:45>
--3.113082037971686E3
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:44>
--3.8558131729467877E3
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:43>
--4.954910038640604E3
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:42>
--6.543417566694095E3
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:41>
--8.49204101624936E3
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:40>
--1.0341175419390633E4
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPhosphateOxygen:79>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPhosphateOxygen:78>
-0.0
-
-> <joelib2.feature.types.atomlabel.AtomIsUnsaturated>
-atom label
-versionID 695821252
-boolean 0,1
-boolean
-13
-1
-1
-1
-1
-1
-1
-0
-0
-1
-0
-0
-0
-0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPhosphateOxygen:77>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPhosphateOxygen:76>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPhosphateOxygen:75>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPhosphateOxygen:74>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPhosphateOxygen:73>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPhosphateOxygen:72>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:39>
--1.1459509588912773E4
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPhosphateOxygen:71>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:38>
--1.1368396632917194E4
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPhosphateOxygen:70>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:37>
--1.0017478868981367E4
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:36>
--7.812372892989975E3
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:35>
--5.383608205367118E3
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:34>
--3.275761691026968E3
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:33>
--1.7590882250539548E3
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:32>
--8.322015294148794E2
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:31>
--3.414433140018513E2
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:30>
--1.0264766443425937E2
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPhosphateOxygen:69>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPhosphateOxygen:68>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPhosphateOxygen:67>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPhosphateOxygen:66>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPhosphateOxygen:65>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPhosphateOxygen:64>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPhosphateOxygen:63>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPhosphateOxygen:62>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:29>
-3.850486317752676E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPhosphateOxygen:61>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:28>
-2.0614635070026782E2
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPhosphateOxygen:60>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:27>
-5.190504321628243E2
-
-> <joelib2.feature.types.atomlabel.AtomInConjEnvironment>
-atom label
-versionID -1028165330
-boolean 0,1
-boolean
-13
-1
-1
-1
-1
-1
-1
-0
-0
-1
-1
-1
-0
-0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:26>
-1.1017456579944396E3
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:25>
-2.054104794040445E3
-
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:97>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:96>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:95>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:94>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:93>
-1.104320058205512E-62
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:92>
-4.16430925027144E-60
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:91>
-1.3858115498426348E-57
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:90>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomMass>
-joelib2.feature.types.atomlabel.AtomMass
-13
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-> <joelib2.feature.types.atomlabel.AtomInTerminalCarbon>
-atom label
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPositive:19>
-0.0
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPositive:18>
-0.0
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPositive:17>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPositive:16>
-0.0
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPositive:15>
-0.0
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPositive:14>
-0.0
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPositive:13>
-0.0
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPositive:12>
-0.0
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPositive:11>
-0.0
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:89>
-1.0547903594302858E-52
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPositive:10>
-0.0
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:88>
-2.4124977892977256E-50
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:87>
-4.869460935266719E-48
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:86>
-8.673772717020935E-46
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:85>
-1.363478768090071E-43
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:84>
-1.8914806855780268E-41
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:83>
-2.3156271459568563E-39
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:82>
-2.501776697932903E-37
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:81>
-2.385292506566211E-35
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:80>
-2.0070025965807868E-33
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:99>
-5.858421839918689
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:98>
-7.189919373932527
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:97>
-9.540829133268018
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:96>
-1.2256431507645916E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:95>
-1.440317318310674E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:94>
-1.5191496052411551E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:93>
-1.4432515533348631E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:92>
-1.2764458276710528E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:91>
-1.1522638996941916E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:90>
-1.2333281090789296E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:79>
-1.4902784267828983E-31
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:78>
-9.765625930790149E-30
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:77>
-5.647366127355401E-28
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:76>
-2.882073115572236E-26
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:75>
-1.2980075951719298E-24
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:74>
-5.1589659672362864E-23
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:73>
-1.8095112266387012E-21
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:72>
-5.601096959268742E-20
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:71>
-1.5300234576408829E-18
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:70>
-3.688385259056766E-17
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:89>
-1.6596054853837984E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:88>
-2.4977421711866285E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:87>
-3.7029368797766686E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:86>
-5.111569040612193E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:85>
-6.478307699411026E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:84>
-7.545436215435966E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:83>
-8.109378374665764E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:82>
-8.059929135132627E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:81>
-7.397763065517756E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:80>
-6.2426460931344494E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:69>
-7.84671097013419E-16
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomInAromaticSystem>
-joelib2.feature.types.atomlabel.AtomInAromaticSystem
-7
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:68>
-1.4731678215793208E-14
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:67>
-2.440787565555407E-13
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:66>
-3.5687894856053786E-12
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:65>
-4.604951605448399E-11
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:64>
-5.243755131145667E-10
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:63>
-5.2695427582193124E-9
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:62>
-4.673224756111017E-8
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:61>
-3.657409861689708E-7
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:60>
-2.526061204444923E-6
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:79>
-4.822821316941002E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:78>
-3.4283036164595316E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:77>
-2.3398400870544137E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:76>
-1.772620113851789E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:75>
-1.855491071132714E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:74>
-2.620869846883982E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:73>
-3.9695104593011045E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:72>
-5.623589910824292E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:71>
-7.140519120286848E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:70>
-8.048615166164436E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:59>
-1.5396694360757778E-5
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:58>
-8.281799954953599E-5
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:57>
-3.931299836908304E-4
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:56>
-1.646884162289492E-3
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:55>
-6.088471410879278E-3
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:54>
-1.986453354856315E-2
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:53>
-5.7198974243174425E-2
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:52>
-1.4536896801865512E-1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:51>
-3.2614116148627537E-1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:50>
-6.461960733596551E-1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:69>
-8.067903695640081E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:68>
-7.28011052536595E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:67>
-6.1185650518885524E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:66>
-5.16731927970276E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:65>
-4.8825650300676074E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:64>
-5.3817778767069996E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:63>
-6.39387429911331E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:62>
-7.387956655481536E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:61>
-7.825426467070967E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:60>
-7.414566513819238E1
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomHybridisation>
-joelib2.feature.types.atomlabel.AtomHybridisation
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:49>
-1.1317290564110563
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:48>
-1.755611669410733
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:47>
-2.4232451494542895
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:46>
-3.0055179043360716
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:45>
-3.417254386333094
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:44>
-3.691167519400617
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:43>
-3.9767974028606394
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:42>
-4.437344224662844
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:41>
-5.103266360126112
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:40>
-5.79652698512311
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:59>
-6.228751622891377E1
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-> <joelib2.feature.types.GlobalTopologicalChargeIndex:joelib2.feature.types.atomlabel.AtomIsOxygen>
-joelib2.feature.types.atomlabel.AtomIsOxygen
-7.117361111111112E-1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:58>
-4.625176352465879E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:57>
-3.0330881761607234E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:56>
-1.758080815178935E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:55>
-9.084070574101458
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:54>
-4.437086632231609
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:53>
-2.751548655252604
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:52>
-3.4733795715499087
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:51>
-6.702510117475378
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:50>
-1.298523241911226E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:39>
-6.202366911292462
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:38>
-6.053212769405957
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:37>
-5.294832574561337
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:36>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:35>
-2.8325455150458327
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:34>
-1.7226757240097623
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:33>
-9.254257213412206E-1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:32>
-4.4011254955932505E-1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:31>
-1.8974118106581525E-1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:30>
-8.956426593276656E-2
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:49>
-2.2686819450774397E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:48>
-3.524067877600525E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:47>
-4.883692677611858E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:46>
-6.110811833553059E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:45>
-7.073576029057378E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENPauling:44>
-7.889684325551721E1
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-> <joelib2.feature.types.WeightedBurdenModifiedEigenvalues>
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-> <joelib2.feature.types.atomlabel.AtomIsSulfur>
-atom label
-versionID -1728210626
-boolean 0,1
-boolean
-13
-0
-0
-0
-0
-0
-0
-0
-0
-0
-0
-0
-0
-0
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomExplicitHydrogenCount>
-joelib2.feature.types.atomlabel.AtomExplicitHydrogenCount
-7
-0.0
-0.0
-0.0
-0.0
-0.0
-0.0
-0.0
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomVanDerWaalsVolume:6>
-3.6238226253402225E1
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomVanDerWaalsVolume:5>
-7.042278959934113E1
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomVanDerWaalsVolume:4>
-9.42214776503562E1
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomVanDerWaalsVolume:3>
-1.0313794021847835E2
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomVanDerWaalsVolume:2>
-1.0873581545343984E2
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomVanDerWaalsVolume:1>
-8.518721472652548E1
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomVanDerWaalsVolume:0>
-8.337890232615464E1
-
-> <joelib2.feature.types.GlobalTopologicalChargeIndex:joelib2.feature.types.CharacteristicPolynomial>
-joelib2.feature.types.CharacteristicPolynomial
-4.164239142189076E2
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:9>
-0.0
-
-> <joelib2.feature.types.count.AromaticBonds>
-6
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:8>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:7>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:6>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:5>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:4>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:3>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:2>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:1>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:0>
-0.0
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsAlphaBetaUnsaturated:12>
-4.310511678877202E-2
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsAlphaBetaUnsaturated:11>
-1.9636789000658003E-1
-
-> <joelib2.feature.types.RadialDistributionFunction_B1.0:joelib2.feature.types.atomlabel.AtomElectronAffinity>
-joelib2.feature.types.atomlabel.AtomElectronAffinity
-197
-8.171245368126086E-11
-9.980208421777904E-10
-1.0757321882617455E-8
-1.0232503702285855E-7
-8.589598232739682E-7
-6.363220675302E-6
-4.160009404693727E-5
-2.4000751141862493E-4
-1.2219925240683032E-3
-5.490671457091243E-3
-2.177186136954165E-2
-7.618664629854961E-2
-2.3527476401293726E-1
-6.411874748366179E-1
-1.5420835608405952
-3.2729847252768987
-6.130462543032424
-1.0133412030947872E1
-1.4781937233361171E1
-1.9029185501360594E1
-2.1618334861305346E1
-2.1673920499978973E1
-1.91763493304855E1
-1.4972965761765272E1
-1.03172812575627E1
-6.274195097195881
-3.368778301173631
-1.6034654179919867
-7.019654731211373E-1
-3.69570805439353E-1
-4.5993302514116563E-1
-1.0520172732011177
-2.4655340817195595
-5.19038880678266
-9.663133756324344
-1.588740374941191E1
-2.3078174970322035E1
-2.9660291376349058E1
-3.3834662832527805E1
-3.449905667917836E1
-3.1909130911414497E1
-2.753839543516027E1
-2.3182752016383244E1
-1.9951438851837334E1
-1.7843871586557395E1
-1.6105385701726853E1
-1.39664826348045E1
-1.1183130196452096E1
-8.0768867274477
-5.201672821236234
-2.977627615304686
-1.536435782832492
-7.942650440465523E-1
-6.24375263792217E-1
-1.0008207538703835
-2.046106218355197
-3.959082650443395
-6.830112236751552
-1.0415190096073252E1
-1.4025914803045419E1
-1.6695085948140175E1
-1.7616868811113925E1
-1.6622872082169987E1
-1.4364461683484658E1
-1.2046936296909903E1
-1.0858972072364336E1
-1.1410241415831345E1
-1.3447038448270249E1
-1.5965425603351417E1
-1.7678709122698635E1
-1.763137398061563E1
-1.5640182953961826E1
-1.23156926890424E1
-8.688718971676424
-5.725620073933517
-4.030752368008453
-3.817305944544093
-5.013053937566666
-7.341425530664418
-1.0345440228361529E1
-1.3429667326356169E1
-1.5974333307787784E1
-1.7481058556283195E1
-1.7671963702866407E1
-1.6519881244395076E1
-1.4243371444678216E1
-1.1278780536472631E1
-8.196103046834843
-5.547198562359899
-3.70538693453226
-2.777946307775445
-2.619921227496263
-2.918509281343399
-3.3072909021611574
-3.4844473254053736
-3.306561885059039
-2.819424900150177
-2.2066909632528944
-1.6847307730785854
-1.4039240484453177
-1.4047422433007766
-1.6386348587042672
-2.0301954917644895
-2.53884215577005
-3.1753825146853183
-3.952021691271677
-4.797203483475746
-5.513246883082596
-5.838602990164297
-5.5909362621306675
-4.786478740888242
-3.640757882481939
-2.4523386625943076
-1.4603060527243996
-7.680787520599461E-1
-3.5667714450997523E-1
-1.4620293031828518E-1
-5.2893158250747904E-2
-1.688810904467218E-2
-4.758699624394642E-3
-1.1833550683175503E-3
-2.596917989973936E-4
-5.029400152303204E-5
-8.595836489263203E-6
-1.2965035162582255E-6
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-3.1116533136376273E-22
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-1.886451605328907E-25
-3.850726615188009E-27
-6.936699733426174E-29
-1.1027480424507373E-30
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-2.0927899404020546E-36
-2.0179100426120356E-38
-1.717082472333428E-40
-1.2894179124678627E-42
-8.544948190410155E-45
-4.99733379949469E-47
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-1.1747238399045713E-51
-4.7217640367940326E-54
-1.6748887612265993E-56
-5.243011948496031E-59
-1.448401337579157E-61
-3.531101307620908E-64
-7.597043775372018E-67
-1.4424217778595648E-69
-2.416868956363136E-72
-3.5737743442890403E-75
-4.663525338921508E-78
-5.370500304966415E-81
-5.457934771640092E-84
-4.895027401661614E-87
-3.8743165716835314E-90
-2.7061276068645233E-93
-1.6680713767404138E-96
-9.073903979126238E-100
-4.3559904504055805E-103
-1.8454099142377471E-106
-6.899410267782682E-110
-2.276377490901588E-113
-6.628111188673854E-117
-1.7031326652791184E-120
-3.862071970226811E-124
-7.728681982336919E-128
-1.3649090172485102E-131
-2.1272334776357953E-135
-2.925767464321731E-139
-3.551220538112909E-143
-3.80389632788092E-147
-3.5957781673106894E-151
-2.9996480444735385E-155
-2.2083143849734786E-159
-1.4347118741328028E-163
-8.22586683492531E-168
-4.1620936438939535E-172
-1.858468526538837E-176
-7.323383289529987E-181
-2.5467218214045115E-185
-7.815638166852884E-190
-2.116706148376631E-194
-5.059060676963739E-199
-1.0670687364872285E-203
-0.0
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsAlphaBetaUnsaturated:10>
-2.1911011134281974E-1
-
-> <joelib2.feature.types.RadialDistributionFunction_B1.0:joelib2.feature.types.atomlabel.AtomFreeElectronsCount>
-joelib2.feature.types.atomlabel.AtomFreeElectronsCount
-197
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-0.0
-0.0
-0.0
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-0.0
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-0.0
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-0.0
-0.0
-0.0
-0.0
-
-> <joelib2.feature.types.bondlabel.BondIsEster>
-bond label
-versionID -1284028340
-boolean 0,1
-boolean
-13
-0
-0
-0
-0
-0
-0
-0
-0
-1
-0
-0
-1
-0
-
-> <joelib2.feature.types.GlobalTopologicalChargeIndex:joelib2.feature.types.atomlabel.AtomIsHydrogen>
-joelib2.feature.types.atomlabel.AtomIsHydrogen
-5.450694444444446E-1
-
-> <joelib2.feature.types.bondlabel.BondIsRotor>
-bond label
-versionID -1199816788
-boolean 0,1
-boolean
-13
-0
-0
-0
-0
-0
-0
-1
-1
-1
-0
-0
-0
-0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomElectronAffinity:9>
-5.490671457091243E-3
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomElectronAffinity:8>
-1.2219925240683032E-3
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:196>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomElectronAffinity:7>
-2.4000751141862493E-4
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:195>
-7.670908207658192E-204
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomElectronAffinity:6>
-4.160009404693727E-5
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:194>
-3.636760001483587E-199
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomElectronAffinity:5>
-6.363220675302E-6
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:193>
-1.521583144844677E-194
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomElectronAffinity:4>
-8.589598232739682E-7
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:192>
-5.618105968762466E-190
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomElectronAffinity:3>
-1.0232503702285855E-7
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:191>
-1.8306164278091255E-185
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomElectronAffinity:2>
-1.0757321882617455E-8
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:190>
-5.264025386450236E-181
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomElectronAffinity:1>
-9.980208421777904E-10
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomElectronAffinity:0>
-8.171245368126086E-11
-
-> <joelib2.feature.types.atomlabel.AtomImplicitHydrogenCount>
-atom label
-versionID -1955417934
-32-bit integer
-int
-13
-1
-1
-0
-0
-1
-1
-0
-0
-0
-0
-3
-0
-0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:189>
-1.3358318241768402E-176
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:188>
-2.9915673673227036E-172
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:187>
-5.912334263858677E-168
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:186>
-1.0311749707615896E-163
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:185>
-1.5871535226563365E-159
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:184>
-2.1558508062424926E-155
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:183>
-2.5842329448728246E-151
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:182>
-2.733743766923578E-147
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:181>
-2.552096805100617E-143
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:180>
-2.1025661718581147E-139
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.GraphPotentials>
-joelib2.feature.types.GraphPotentials
-13
-1.7920411269010987
-1.57427137937165
-1.509304209737904
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-1.423030831175457
-1.2910324296103595
-1.2028243998693653
-1.1763745654985425
-1.030075268717719
-8.597564997437442E-1
-8.321568497504861E-1
-7.396427437422862E-1
-7.181912425594218E-1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:179>
-1.528675807715801E-135
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:178>
-9.808312705339511E-132
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:177>
-5.553751008823492E-128
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:176>
-2.775183455605783E-124
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:175>
-1.223799246138601E-120
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:174>
-4.76257530605042E-117
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:173>
-1.6356362279167733E-113
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:172>
-4.9572951573695455E-110
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:171>
-1.325916041222141E-106
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomHeavyValence:170>
-3.1296838082429776E-103
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomIsClockwise:6>
-0.0
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomIsClockwise:5>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHydrogen:55>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:160>
-1.1536328428883145E-71
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHydrogen:54>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHydrogen:53>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHydrogen:52>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHydrogen:51>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHydrogen:50>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:159>
-6.885085728776327E-69
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:158>
-3.626304621390257E-66
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:157>
-1.685514159618974E-63
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:156>
-6.91375073595226E-61
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:155>
-2.5026966985938016E-58
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHydrogen:49>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:154>
-7.994952987480677E-56
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHydrogen:48>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:153>
-2.2539111837570237E-53
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHydrogen:47>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:152>
-5.60752054291936E-51
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHydrogen:46>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:151>
-1.231170323648605E-48
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHydrogen:45>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:150>
-2.3854954612242555E-46
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHydrogen:44>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHydrogen:43>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHydrogen:42>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHydrogen:41>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHydrogen:40>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:149>
-4.0789862478827764E-44
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:148>
-6.155156195657503E-42
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:147>
-8.196701241532054E-40
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:146>
-9.632795139070353E-38
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:145>
-9.990304674378782E-36
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHydrogen:39>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:144>
-9.143623445899324E-34
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHydrogen:38>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:143>
-7.385350693604987E-32
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHydrogen:37>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:142>
-5.264257242021256E-30
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHydrogen:36>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:141>
-3.3114353032037596E-28
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHydrogen:35>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:140>
-1.838267191952923E-26
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHydrogen:34>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHydrogen:33>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHydrogen:32>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHydrogen:31>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHydrogen:30>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:139>
-9.005631842863633E-25
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:138>
-3.8934350272904436E-23
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:137>
-1.4854733516796538E-21
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:136>
-5.0016118982625835E-20
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:135>
-1.4861693633830301E-18
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHydrogen:29>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:134>
-3.8970843847504043E-17
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHydrogen:28>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:133>
-9.018296423079208E-16
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHydrogen:27>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:132>
-1.841714864259306E-14
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHydrogen:26>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:131>
-3.3192003812856814E-13
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHydrogen:25>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:130>
-5.279073906308782E-12
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHydrogen:24>
-0.0
-
-> <joelib2.feature.types.GlobalTopologicalChargeIndex:joelib2.feature.types.atomlabel.AtomInAromaticSystem>
-joelib2.feature.types.atomlabel.AtomInAromaticSystem
-7.950694444444446E-1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHydrogen:23>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHydrogen:22>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHydrogen:21>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHydrogen:20>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:129>
-7.40960754325316E-11
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:128>
-9.17795376110548E-10
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:127>
-1.003251288412639E-8
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:126>
-9.678026312460574E-8
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:125>
-8.239049331827891E-7
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHydrogen:19>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:124>
-6.189857932569123E-6
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHydrogen:18>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:123>
-4.103907982605442E-5
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHydrogen:17>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:122>
-2.4011985068289718E-4
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHydrogen:16>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:121>
-1.2398591549798515E-3
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHydrogen:15>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:120>
-5.649774552521383E-3
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHydrogen:14>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHydrogen:13>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHydrogen:12>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHydrogen:11>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHydrogen:10>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:119>
-2.2719858701899166E-2
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:118>
-8.06303213531237E-2
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:117>
-2.5253082701253415E-1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:116>
-6.980130760196637E-1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:115>
-1.7028073267307464
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:114>
-3.6665636627562908
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:113>
-6.96982674815183
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:112>
-1.1700562969393166E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:111>
-1.7358642664101357E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:110>
-2.278993763284479E1
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.ConjElectroTopolState>
-joelib2.feature.types.ConjElectroTopolState
-7
-2.0849948571492706E2
-4.9407422094590274E1
-9.575260065345746E1
-8.41738973342208E1
-1.457809889999651E2
-1.2046017805934432E2
-1.3833692478263484E2
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:109>
-2.6548873804114127E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:108>
-2.758276356130941E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:107>
-2.5799023637300134E1
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomValenceSum:12>
-9.959205937322574E-1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:106>
-2.20796689831663E1
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomValenceSum:11>
-1.9727872940564875
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:105>
-1.7723818117351485E1
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomValenceSum:10>
-1.9784510594446554
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:104>
-1.3756156793978443E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:103>
-1.0595753972341862E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:102>
-8.214712322398748
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:101>
-6.520119958021396
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:100>
-5.606056521961594
-
-> <joelib2.feature.types.GlobalTopologicalChargeIndex:joelib2.feature.types.atomlabel.AtomVanDerWaalsVolume>
-joelib2.feature.types.atomlabel.AtomVanDerWaalsVolume
-1.512986124621497
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomIsNitroOxygen>
-joelib2.feature.types.atomlabel.AtomIsNitroOxygen
-7
-0.0
-0.0
-0.0
-0.0
-0.0
-0.0
-0.0
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomValenceSum:9>
-1.9952408652631475
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomValenceSum:8>
-3.6965536810723565
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomValenceSum:7>
-3.833315839368168
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomValenceSum:6>
-3.851261761756895
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomValenceSum:5>
-3.903188215597471
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomValenceSum:4>
-4.018977202134499
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomValenceSum:3>
-4.123362400512138
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomValenceSum:2>
-4.149255516554644
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomValenceSum:1>
-4.170482016225992
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomValenceSum:0>
-4.311203554281301
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:12>
-6.012329834614992E-4
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:11>
-9.999999999999807E-4
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:10>
-1.000000000000013E-3
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomValence:12>
-9.714977609541137E-1
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomValence:11>
-9.744704230559359E-1
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomValence:10>
-9.990000000000003E-1
-
-> <joelib2.feature.types.bondlabel.BondInAromaticSystem>
-bond label
-versionID 326621937
-boolean 0,1
-boolean
-13
-1
-1
-1
-1
-1
-1
-0
-0
-0
-0
-0
-0
-0
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:9>
-1.3847590466042647E-1
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:8>
-1.4013947087376244E-1
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:7>
-1.6189150020817084E-1
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:6>
-1.636891426159846E-1
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:5>
-2.4274938339637614E-1
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:4>
-2.442711882137435E-1
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:3>
-2.578778972600737E-1
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:2>
-2.5869202887213205E-1
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:1>
-3.2065191471810545E-1
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:0>
-3.290502927521424E-1
-
-> <joelib2.feature.types.GlobalTopologicalChargeIndex:joelib2.feature.types.atomlabel.AtomIsHalogen>
-joelib2.feature.types.atomlabel.AtomIsHalogen
-5.450694444444446E-1
-
-> <comment>
-1
-Used\ JOELib\ chemistry\ kernel\ (expert\ systems)\ ID\ is\ 715333816
-
-> <joelib2.feature.types.atomlabel.AtomIsNitroOxygen>
-atom label
-versionID 1074053201
-boolean 0,1
-boolean
-13
-0
-0
-0
-0
-0
-0
-0
-0
-0
-0
-0
-0
-0
-
-> <joelib2.feature.types.RadialDistributionFunction_B1.0:joelib2.feature.types.atomlabel.AtomInDonAcc>
-joelib2.feature.types.atomlabel.AtomInDonAcc
-197
-0.0
-0.0
-0.0
-0.0
-0.0
-0.0
-0.0
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-0.0
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-0.0
-0.0
-0.0
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-0.0
-0.0
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-0.0
-0.0
-0.0
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-0.0
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-0.0
-0.0
-0.0
-0.0
-0.0
-0.0
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:4>
-3.575764530383809E-6
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:3>
-4.259672477263729E-7
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:2>
-4.478130002855387E-8
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:1>
-4.1546111313713E-9
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomENSanderson:0>
-3.4015531176624235E-10
-
-> <joelib2.feature.types.RadialDistributionFunction_B1.0:joelib2.feature.types.atomlabel.AtomIsHydrogen>
-joelib2.feature.types.atomlabel.AtomIsHydrogen
-197
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomIsNonPolarHydrogen>
-joelib2.feature.types.atomlabel.AtomIsNonPolarHydrogen
-7
-0.0
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-0.0
-0.0
-0.0
-0.0
-0.0
-
-> <joelib2.feature.types.bondlabel.BondIsPrimaryAmide>
-bond label
-versionID -354357663
-boolean 0,1
-boolean
-13
-0
-0
-0
-0
-0
-0
-0
-0
-0
-0
-0
-0
-0
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsHeteroatom:9>
-1.4532959071622797E-1
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsHeteroatom:8>
-1.5278662228693965E-1
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsHeteroatom:7>
-1.6187411549721797E-1
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsHeteroatom:6>
-1.75969577694941E-1
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsHeteroatom:5>
-3.05329880123951E-1
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsHeteroatom:4>
-3.0736891510075914E-1
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsHeteroatom:3>
-9.991618216264953E-1
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsHeteroatom:2>
-1.007176296389558
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsHeteroatom:1>
-1.0521713524150003
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsHeteroatom:0>
-1.0576947141836663
-
-> <joelib2.feature.types.count.HeteroCycles>
-0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:99>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:98>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:97>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:96>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:95>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:94>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:93>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:92>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:91>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:90>
-0.0
-
-> <joelib2.feature.types.ElectrogeometricalState>
-atom label
-?
-64-bit floating point IEEE 754
-double
-13
-2.022928683453326
-2.035181170636783
-1.0224093580464648
-1.036461654877363
-2.0404597191055545
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-9.951745773857892E-1
-5.625036829880411E-1
-1.0311379997490984
-4.718997909554006
-2.021070959774674
-2.0404531946519344
-4.618146202464175
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:99>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:98>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:97>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:96>
-0.0
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomInConjEnvironment:12>
-1.2518654607228407E-2
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:95>
-0.0
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomInConjEnvironment:11>
-2.0534836336776885E-2
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:94>
-0.0
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomInConjEnvironment:10>
-6.923302323277607E-1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:93>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:92>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:91>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:90>
-0.0
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomMass:9>
-1.1894309123652894E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:9>
-0.0
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomMass:8>
-1.1999626771302086E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:8>
-0.0
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomMass:7>
-1.2114138424207868E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:7>
-0.0
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomMass:6>
-1.2158379768942451E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:89>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:6>
-0.0
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomMass:5>
-1.2177015532244546E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:88>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:5>
-0.0
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomMass:4>
-1.2319712264843627E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:87>
-0.0
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomMass:3>
-1.599813060799105E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:4>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:86>
-0.0
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomMass:2>
-1.6000054402619114E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:3>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:85>
-0.0
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomMass:1>
-1.6011893083832703E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:2>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:84>
-0.0
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomMass:0>
-1.60160287964956E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:1>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:83>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInTerminalCarbon:0>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:82>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:81>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:80>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:89>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:88>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:87>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:86>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:85>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:84>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:83>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:82>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:81>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:80>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:79>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:78>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:77>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:76>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:75>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:74>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:73>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:72>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:71>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:70>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:79>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:78>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:77>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:76>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:75>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:74>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:73>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:72>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:71>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:70>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:69>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:68>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:67>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:66>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:65>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:64>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:63>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:62>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:61>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:60>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:69>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:68>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:67>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:66>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:65>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:64>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:63>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:62>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:61>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:60>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:59>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:58>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:57>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:56>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:55>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:54>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:53>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:52>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:51>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:50>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:59>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:58>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:57>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:56>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:55>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:54>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:53>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:52>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:51>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:50>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:49>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:48>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:47>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:46>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:45>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:44>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:43>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:42>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:41>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:40>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:49>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:48>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:47>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:46>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:45>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:44>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:43>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:42>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:41>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:40>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:39>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:38>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:37>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:36>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:35>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:34>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:33>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:32>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:31>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:30>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:39>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:38>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:37>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:36>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:35>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:34>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:33>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:32>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:31>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:30>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:29>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:28>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:27>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:26>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:25>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:24>
-0.0
-
-> <joelib2.feature.types.SMILESMolecule>
-c1cc(c(cc1)OC(=O)C)C([O-])=O
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:23>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:22>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:21>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:20>
-0.0
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomInConjEnvironment>
-joelib2.feature.types.atomlabel.AtomInConjEnvironment
-13
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-1.150154783140773
-1.1333629314591989
-9.991734401321419E-1
-8.683860440927411E-1
-8.527857883303248E-1
-7.788827820201278E-1
-7.693437354646814E-1
-6.923302323277607E-1
-2.0534836336776885E-2
-1.2518654607228407E-2
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-> <joelib2.feature.types.FractionRotatableBonds>
-2.3076923076923078E-1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:29>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:28>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:27>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:26>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:25>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:24>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:23>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:22>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:21>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:20>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:19>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:18>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:17>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:16>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:15>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:14>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:13>
-0.0
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsSulfur>
-joelib2.feature.types.atomlabel.AtomIsSulfur
-13
-3.290502927521424E-1
-3.2065191471810545E-1
-2.5869202887213205E-1
-2.578778972600737E-1
-2.442711882137435E-1
-2.4274938339637614E-1
-1.636891426159846E-1
-1.6189150020817084E-1
-1.4013947087376244E-1
-1.3847590466042647E-1
-1.000000000000013E-3
-9.999999999999807E-4
-6.012329834614992E-4
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:12>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:11>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeElectronsCount:10>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:19>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:18>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:17>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:16>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:15>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:14>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:13>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:12>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:11>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitrogen:10>
-0.0
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomFreeElectronsCount>
-joelib2.feature.types.atomlabel.AtomFreeElectronsCount
-7
-0.0
-0.0
-0.0
-0.0
-0.0
-0.0
-0.0
-
-> <SMARTS_c_[CX4H1]([#6])([#6])[#6]>
-0
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsCarbon:12>
-8.107806971812111E-4
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsCarbon:11>
-8.8913661149801E-3
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsCarbon:10>
-5.205220873713503E-2
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomIsAlphaBetaUnsaturated:6>
-4.0
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomIsAlphaBetaUnsaturated:5>
-8.0
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomIsAlphaBetaUnsaturated:4>
-1.4E1
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomIsAlphaBetaUnsaturated:3>
-2.2E1
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomIsAlphaBetaUnsaturated:2>
-2.4E1
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomIsAlphaBetaUnsaturated:1>
-1.8E1
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomIsAlphaBetaUnsaturated:0>
-2.0E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:196>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:195>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:194>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:193>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:192>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:191>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:190>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:189>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:188>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:187>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:186>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:185>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:184>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:183>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:182>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:181>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:180>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:179>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:178>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:177>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:176>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:175>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:174>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:173>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:172>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:171>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:170>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrogeometricalState:196>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrogeometricalState:195>
-6.730003715687261E-203
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrogeometricalState:194>
-3.1908068031169876E-198
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:169>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrogeometricalState:193>
-1.3350542232006233E-193
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:168>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrogeometricalState:192>
-4.929586489957141E-189
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:167>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrogeometricalState:191>
-1.606331836212232E-184
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:166>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrogeometricalState:190>
-4.619268779808821E-180
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:165>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:164>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:163>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:162>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:161>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:160>
-0.0
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsNonPolarHydrogen:12>
-6.012329834614992E-4
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrogeometricalState:189>
-1.172261197087383E-175
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsNonPolarHydrogen:11>
-9.999999999999807E-4
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrogeometricalState:188>
-2.6253592288604162E-171
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsNonPolarHydrogen:10>
-1.000000000000013E-3
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrogeometricalState:187>
-5.188792140762398E-167
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrogeometricalState:186>
-9.050175494388726E-163
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrogeometricalState:185>
-1.3930314400007986E-158
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrogeometricalState:184>
-1.892247874623332E-154
-
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-> <joelib2.feature.types.RadialDistributionFunction_B1.0:joelib2.feature.types.atomlabel.AtomValenceSum>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNonPolarHydrogen:91>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNonPolarHydrogen:90>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:178>
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-2.808694292448851E-206
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNonPolarHydrogen:89>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNonPolarHydrogen:85>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNonPolarHydrogen:84>
-0.0
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-> <joelib2.feature.types.atomlabel.AtomIsNonPolarHydrogen>
-atom label
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNonPolarHydrogen:83>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNonPolarHydrogen:82>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNonPolarHydrogen:81>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNonPolarHydrogen:80>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:164>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:160>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNonPolarHydrogen:76>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:12>
-5.594588343527484E-4
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:4>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomInAromaticSystem:3>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:158>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:157>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:156>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:155>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:154>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:153>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:152>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:150>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomHeteroValence:11>
-7.61117588164862E-1
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomHeteroValence:10>
-9.990000000000006E-1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNonPolarHydrogen:66>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNonPolarHydrogen:65>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNonPolarHydrogen:64>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNonPolarHydrogen:63>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNonPolarHydrogen:62>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNonPolarHydrogen:61>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNonPolarHydrogen:60>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:146>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:145>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:144>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:140>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNonPolarHydrogen:58>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNonPolarHydrogen:57>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNonPolarHydrogen:56>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNonPolarHydrogen:55>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNonPolarHydrogen:54>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNonPolarHydrogen:53>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNonPolarHydrogen:52>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNonPolarHydrogen:51>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNonPolarHydrogen:50>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:138>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:136>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:135>
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-> <joelib2.feature.types.atomlabel.AtomMass>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:131>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:130>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNonPolarHydrogen:49>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNonPolarHydrogen:47>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNonPolarHydrogen:46>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNonPolarHydrogen:44>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNonPolarHydrogen:43>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNonPolarHydrogen:42>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNonPolarHydrogen:41>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNonPolarHydrogen:40>
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-
-> <SMARTS_c_[BrX1][CX4]>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:129>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:128>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitroOxygen:8>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:127>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitroOxygen:7>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:126>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitroOxygen:6>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:125>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitroOxygen:5>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:124>
-1.4114279210163015E-40
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitroOxygen:4>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:123>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitroOxygen:3>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:122>
-2.1854101321093162E-36
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitroOxygen:2>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:121>
-2.254446122156387E-34
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitroOxygen:1>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomialCoefficients:120>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNitroOxygen:0>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomImplicitHydrogenCount:196>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomImplicitHydrogenCount:195>
-5.778973581043264E-204
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNonPolarHydrogen:39>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomImplicitHydrogenCount:194>
-2.7396569835276465E-199
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNonPolarHydrogen:38>
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-0.0
-0.0
-0.0
-0.0
-0.0
-0.0
-0.0
-0.0
-0.0
-0.0
-0.0
-0.0
-0.0
-0.0
-0.0
-0.0
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.CharacteristicPolynomial:6>
--2.4863454056654316E6
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.CharacteristicPolynomial:5>
--3.0355092916453136E6
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.CharacteristicPolynomial:4>
--4.715914104487336E6
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.CharacteristicPolynomial:3>
--2.260369450333501E6
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.CharacteristicPolynomial:2>
-8.081108902983708E6
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.CharacteristicPolynomial:1>
-2.6246434544742186E7
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.CharacteristicPolynomial:0>
-5.733156078999084E7
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.CharacteristicPolynomial>
-joelib2.feature.types.CharacteristicPolynomial
-13
-4.568679824913495E3
-2.4566142782537686E3
-1.1442953000766634E3
-3.739550420051675E2
-2.8807055240945857E2
-2.7285361377637594E2
-2.3091680776111278E2
-2.2436726131940736E2
-1.663483865908656E2
-1.119998923388579E2
-6.75555634914624E1
-4.0546903716045094E1
-3.4889010807430054E1
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomENAllredRochow>
-joelib2.feature.types.atomlabel.AtomENAllredRochow
-7
-2.105E2
-1.875E2
-2.665E2
-2.4E2
-2.465E2
-1.725E2
-1.14E2
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.ConjugatedTopologicalDistance>
-joelib2.feature.types.ConjugatedTopologicalDistance
-7
-2.72E2
-2.52E2
-2.88E2
-2.76E2
-2.36E2
-1.76E2
-8.0E1
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsHydrogen>
-joelib2.feature.types.atomlabel.AtomIsHydrogen
-13
-3.290502927521424E-1
-3.2065191471810545E-1
-2.5869202887213205E-1
-2.578778972600737E-1
-2.442711882137435E-1
-2.4274938339637614E-1
-1.636891426159846E-1
-1.6189150020817084E-1
-1.4013947087376244E-1
-1.3847590466042647E-1
-1.000000000000013E-3
-9.999999999999807E-4
-6.012329834614992E-4
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:196>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:195>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:194>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:193>
-8.567E-321
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:192>
-6.317990626E-315
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:191>
-4.112774559382033E-309
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:190>
-2.3626751934034125E-303
-
-> <joelib2.feature.types.GlobalTopologicalChargeIndex:joelib2.feature.types.ConjugatedTopologicalDistance>
-joelib2.feature.types.ConjugatedTopologicalDistance
-2.128402777777778
-
-> <joelib2.feature.types.TopologicalRadius>
-1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:189>
-1.1978055701157433E-297
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:188>
-5.358976158713128E-292
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:187>
-2.1158774558891902E-286
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:186>
-7.372459363345157E-281
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:185>
-2.2669787714467022E-275
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:184>
-6.15170794480924E-270
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:183>
-1.4731845459607806E-264
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:182>
-3.113377550422987E-259
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:181>
-5.80656931147201E-254
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:180>
-9.556978943757387E-249
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:179>
-1.3881450015529047E-243
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:178>
-1.779353462755464E-238
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:177>
-2.01281014086014E-233
-
-> <joelib2.feature.types.atomlabel.AtomIsOxygen>
-atom label
-versionID 788281253
-boolean 0,1
-boolean
-13
-0
-0
-0
-0
-0
-0
-0
-1
-0
-1
-0
-1
-1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:176>
-2.009354600524081E-228
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:175>
-1.7702049428223814E-223
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:174>
-1.3762701873670635E-218
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:173>
-9.442718551730538E-214
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:172>
-5.717465835204115E-209
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:171>
-3.055085019819627E-204
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:170>
-1.440642468126612E-199
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:169>
-5.995181217021786E-195
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:168>
-2.2017175638197284E-190
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:167>
-7.1356590133674355E-186
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:166>
-2.0408907621795115E-181
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:165>
-5.151321090568694E-177
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:164>
-1.1474418138306085E-172
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:163>
-2.2555679376726276E-168
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:162>
-3.912860302979524E-164
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:161>
-5.990264004625917E-160
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:160>
-8.093022971286466E-156
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:159>
-9.649143669132408E-152
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:158>
-1.015266280095305E-147
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:157>
-9.427235179513212E-144
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:156>
-7.725060875542205E-140
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:155>
-5.586408234759475E-136
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:154>
-3.565140236647749E-132
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:153>
-2.0078615167716983E-128
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:152>
-9.979392036022533E-125
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:151>
-4.3771114204228785E-121
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:150>
-1.6942765868512886E-117
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:149>
-5.7875426796923856E-114
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:148>
-1.744686070862644E-110
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:147>
-4.641448869802905E-107
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:146>
-1.0896901801674268E-103
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:145>
-2.2576971960093736E-100
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:144>
-4.1280175950119465E-97
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:143>
-6.660864141175841E-94
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:142>
-9.484900979123394E-91
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:141>
-1.1919230451743088E-87
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:140>
-1.3218337058359942E-84
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ConjugatedTopologicalDistance:99>
-5.764564892986419
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ConjugatedTopologicalDistance:98>
-7.135211662613481
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:139>
-1.2936554331663336E-81
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ConjugatedTopologicalDistance:97>
-9.513475416928424
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:138>
-1.1173097833435115E-78
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ConjugatedTopologicalDistance:96>
-1.2246107271236768E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:137>
-8.516120070372237E-76
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ConjugatedTopologicalDistance:95>
-1.4406040050014973E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:136>
-5.728265517426975E-73
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ConjugatedTopologicalDistance:94>
-1.5216507654932801E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:135>
-3.40030359222326E-70
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ConjugatedTopologicalDistance:93>
-1.451486230996853E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:134>
-1.781252299668239E-67
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ConjugatedTopologicalDistance:92>
-1.299143164913985E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:133>
-8.234673258902817E-65
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ConjugatedTopologicalDistance:91>
-1.2069625123714388E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:132>
-3.3595452496029094E-62
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ConjugatedTopologicalDistance:90>
-1.348895876323606E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:131>
-1.209561091187106E-59
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:130>
-3.8431586331850217E-57
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ConjugatedTopologicalDistance:89>
-1.8732164309560556E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ConjugatedTopologicalDistance:88>
-2.8415217263973034E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:129>
-1.0776109703385759E-54
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ConjugatedTopologicalDistance:87>
-4.1805189256516336E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:128>
-2.666544813313346E-52
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ConjugatedTopologicalDistance:86>
-5.674980064050468E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:127>
-5.823029087218346E-50
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ConjugatedTopologicalDistance:85>
-7.023537710003895E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:126>
-1.1221792200937162E-47
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ConjugatedTopologicalDistance:84>
-7.94011146350745E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:125>
-1.908484669353226E-45
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ConjugatedTopologicalDistance:83>
-8.245829405533198E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:124>
-2.864364743860318E-43
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ConjugatedTopologicalDistance:82>
-7.905233821374777E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:123>
-3.7938587242268817E-41
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ConjugatedTopologicalDistance:81>
-7.009147340629593E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:122>
-4.434525754437813E-39
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ConjugatedTopologicalDistance:80>
-5.738158999006324E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:121>
-4.5743185117246234E-37
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:120>
-4.164077618397891E-35
-
-> <joelib2.feature.types.GlobalTopologicalChargeIndex:joelib2.feature.types.atomlabel.AtomENPauling>
-joelib2.feature.types.atomlabel.AtomENPauling
-2.065902777777778
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ConjugatedTopologicalDistance:79>
-4.326858169231259E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ConjugatedTopologicalDistance:78>
-3.0249506080675246E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:119>
-3.3452180265382396E-33
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ConjugatedTopologicalDistance:77>
-2.0555520334734044E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:118>
-2.371609833610145E-31
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ConjugatedTopologicalDistance:76>
-1.5869059688166816E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:117>
-1.4837996513100252E-29
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ConjugatedTopologicalDistance:75>
-1.7237772734920867E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:116>
-8.192576496905527E-28
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ConjugatedTopologicalDistance:74>
-2.4949992341090546E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:115>
-3.991893806503607E-26
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ConjugatedTopologicalDistance:73>
-3.810966640993561E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:114>
-1.7165272865155625E-24
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ConjugatedTopologicalDistance:72>
-5.411358204225591E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:113>
-6.513819770481101E-23
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ConjugatedTopologicalDistance:71>
-6.875316084980618E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:112>
-2.1813940079217236E-21
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ConjugatedTopologicalDistance:70>
-7.752002722301694E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:111>
-6.446825762698342E-20
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:110>
-1.6814010880034524E-18
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ConjugatedTopologicalDistance:69>
-7.774438396605206E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ConjugatedTopologicalDistance:68>
-7.024544609568373E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:109>
-3.869995844138483E-17
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ConjugatedTopologicalDistance:67>
-5.924166637781017E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsUnsaturated:108>
-7.860746273486683E-16
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ConjugatedTopologicalDistance:66>
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-
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValence:7>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValence:6>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValence:5>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValence:4>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsElectronegative>
-joelib2.feature.types.atomlabel.AtomIsElectronegative
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ConjugatedTopologicalDistance:34>
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-2.3589643854610063E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ConjugatedTopologicalDistance:32>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ConjugatedTopologicalDistance:31>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ConjugatedTopologicalDistance:20>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPositive:3>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPositive:2>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPositive:1>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPositive:0>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ConjugatedTopologicalDistance:19>
-1.090524365673E2
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ConjugatedTopologicalDistance:18>
-8.47151074251777E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ConjugatedTopologicalDistance:17>
-5.807638170254032E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ConjugatedTopologicalDistance:16>
-3.513592801261235E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ConjugatedTopologicalDistance:15>
-1.8759294395196353E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ConjugatedTopologicalDistance:14>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ConjugatedTopologicalDistance:13>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ConjugatedTopologicalDistance:12>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ConjugatedTopologicalDistance:11>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ConjugatedTopologicalDistance:10>
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-> <joelib2.feature.types.DistanceDistanceMatrix>
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.GraphPotentials>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomENAllredRochow:7>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomENAllredRochow:6>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomENAllredRochow:4>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomENAllredRochow:2>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomENAllredRochow:1>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomENAllredRochow:0>
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomIsPolarHydrogen:6>
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomIsPolarHydrogen:5>
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomIsPolarHydrogen:4>
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomIsPolarHydrogen:3>
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomIsPolarHydrogen:2>
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomIsPolarHydrogen:1>
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomIsPolarHydrogen:0>
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-> <joelib2.algo.BFS>
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomPartialCharge:5>
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomPartialCharge:4>
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomPartialCharge:3>
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomPartialCharge:2>
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomPartialCharge:1>
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomImplicitHydrogenCount:5>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsSulfur:130>
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-> <joelib2.feature.types.RadialDistributionFunction_B1.0:joelib2.feature.types.atomlabel.AtomExplicitHydrogenCount>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsSulfur:128>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsSulfur:124>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsSulfur:123>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen>
-joelib2.feature.types.atomlabel.AtomIsAmideNitrogen
-13
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-3.2065191471810545E-1
-2.5869202887213205E-1
-2.578778972600737E-1
-2.442711882137435E-1
-2.4274938339637614E-1
-1.636891426159846E-1
-1.6189150020817084E-1
-1.4013947087376244E-1
-1.3847590466042647E-1
-1.000000000000013E-3
-9.999999999999807E-4
-6.012329834614992E-4
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsOxygen>
-joelib2.feature.types.atomlabel.AtomIsOxygen
-13
-1.0576947141836663
-1.0521713524150003
-1.007176296389558
-9.991618216264953E-1
-3.0736891510075914E-1
-3.05329880123951E-1
-1.75969577694941E-1
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-1.5278662228693965E-1
-1.4532959071622797E-1
-1.354360692739616E-1
-8.395808395748199E-2
-4.113467055299613E-2
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.CharacteristicPolynomialCoefficients>
-joelib2.feature.types.CharacteristicPolynomialCoefficients
-13
-1.2800035164615406E2
-1.1800026024608228E2
-6.1000562377041526E1
-3.800116077469841E1
-1.3003461657688725E1
-2.5808295072178794E-1
-2.565665471293403E-1
-1.1053282572499487E-1
-1.0945195351588105E-1
-3.497602898667905E-3
-1.0509138380170348E-3
-6.968383781530333E-4
-6.583683139961147E-4
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:9>
-1.3847590466042647E-1
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:8>
-1.4013947087376244E-1
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:7>
-1.6189150020817084E-1
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:6>
-1.636891426159846E-1
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:5>
-2.4274938339637614E-1
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:4>
-2.442711882137435E-1
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:3>
-2.578778972600737E-1
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:2>
-2.5869202887213205E-1
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:1>
-3.2065191471810545E-1
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:0>
-3.290502927521424E-1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:196>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:195>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:194>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:193>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:192>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:191>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:190>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:189>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:188>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:187>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:186>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:185>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:184>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:183>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:182>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:181>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:180>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:179>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:178>
-1.3401E-319
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:177>
-9.699665462E-314
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomIsSulfur:6>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:176>
-6.195549190710142E-308
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomIsSulfur:5>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:175>
-3.492336257883754E-302
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomIsSulfur:4>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:174>
-1.7372626632814662E-296
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomIsSulfur:3>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:173>
-7.626549773155922E-291
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomIsSulfur:2>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:172>
-2.9546355682968034E-285
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomIsSulfur:1>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:171>
-1.0101664118031261E-279
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomIsSulfur:0>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:170>
-3.047860715507083E-274
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomHeavyValence:6>
-1.6E1
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomHeavyValence:5>
-6.0E1
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomHeavyValence:4>
-1.06E2
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomHeavyValence:3>
-1.46E2
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomHeavyValence:2>
-1.56E2
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomHeavyValence:1>
-1.32E2
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomHeavyValence:0>
-1.2E2
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:169>
-8.115410606073842E-269
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:168>
-1.9069489632734798E-263
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:167>
-3.9544021303937334E-258
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:166>
-7.236620242542637E-253
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:165>
-1.168702367146367E-247
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:164>
-1.6656557733073867E-242
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:163>
-2.0949794872942803E-237
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:162>
-2.3253454772914823E-232
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:161>
-2.2777622203839446E-227
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:160>
-1.968985306152044E-222
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:159>
-1.502068555876361E-217
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:158>
-1.0112306492038742E-212
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:157>
-6.007916432567156E-208
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:156>
-3.1500012930538544E-203
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:155>
-1.4575074076364791E-198
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:154>
-5.9514665785502E-194
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:153>
-2.1446203233912253E-189
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:152>
-6.820088733991319E-185
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:151>
-1.9140039197122571E-180
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:150>
-4.740332553748177E-176
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:149>
-1.0360673491846618E-171
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:148>
-1.9983904906760547E-167
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:147>
-3.4016208997088E-163
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:146>
-5.109808891271273E-159
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:145>
-6.773865886095786E-155
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:144>
-7.924679736799605E-151
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:143>
-8.181633773683031E-147
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:142>
-7.45438022905446E-143
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:141>
-5.993717043425069E-139
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:140>
-4.252987650123653E-135
-
-> <joelib2.feature.types.atomlabel.AtomValenceSum>
-atom label
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-int
-13
-4
-4
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-2
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-1
-2
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:139>
-2.66320867273675E-131
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:138>
-1.4717344674918445E-127
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:137>
-7.177396116507408E-124
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:136>
-3.0889975189122574E-120
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:135>
-1.17322522868588E-116
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:134>
-3.9324066058763575E-113
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:133>
-1.163184564310583E-109
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:132>
-3.036351414467009E-106
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:131>
-6.994692493944343E-103
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:130>
-1.4219961126161164E-99
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:129>
-2.5511816447766145E-96
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:128>
-4.039220332162525E-93
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:127>
-5.643738669564758E-90
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomIsPhosphateOxygen:6>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:126>
-6.959041677744407E-87
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomIsPhosphateOxygen:5>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:125>
-7.572602648061725E-84
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomIsPhosphateOxygen:4>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:124>
-7.272003684276555E-81
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomMass>
-joelib2.feature.types.atomlabel.AtomMass
-7
-4.644497943936221E3
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-5.382849477106327E3
-5.445337018108417E3
-3.844408612652911E3
-2.465384052950212E3
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomIsPhosphateOxygen:3>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:123>
-6.162773426690002E-78
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomIsPhosphateOxygen:2>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:122>
-4.609050876276384E-75
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomIsPhosphateOxygen:1>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:121>
-3.042005483565273E-72
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomIsPhosphateOxygen:0>
-0.0
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:120>
-1.771828458475314E-69
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:196>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:195>
-0.0
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:194>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:193>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:192>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:191>
-0.0
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:190>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:119>
-9.107444701014153E-67
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:118>
-4.131279735895542E-64
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:117>
-1.653810909155109E-61
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:116>
-5.84252112989605E-59
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:115>
-1.821494737431704E-56
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:114>
-5.011511597361543E-54
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:113>
-1.2168099388390478E-51
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:112>
-2.607293648941273E-49
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:111>
-4.930265815528483E-47
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:110>
-8.227424636694253E-45
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:189>
-0.0
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:188>
-0.0
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:187>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:186>
-0.0
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:185>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:184>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:183>
-0.0
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:182>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:181>
-0.0
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:180>
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-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:109>
-1.2116318485459824E-42
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:108>
-1.5746739319111547E-40
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:107>
-1.8060251140478677E-38
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:106>
-1.8279744540054345E-36
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:105>
-1.6327874322159074E-34
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:104>
-1.2870705862952958E-32
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:103>
-8.953405860917058E-31
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:102>
-5.496514369455509E-29
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:101>
-2.9778283035083495E-27
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomFreeOxygenCount:100>
-1.4237217803600615E-25
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:179>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:178>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:177>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:176>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:175>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:174>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:173>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:172>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:171>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:170>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsOxygen:9>
-7.980204659668411E-24
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsOxygen:8>
-1.8835833342118002E-25
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:169>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsOxygen:7>
-3.9234565120845944E-27
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:168>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsOxygen:6>
-7.212171435141122E-29
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:167>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsOxygen:5>
-1.1699746014974385E-30
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:166>
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-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsOxygen:4>
-1.6749429554979555E-32
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:165>
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-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsOxygen:3>
-2.1161029932271595E-34
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:164>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsOxygen:2>
-2.3593196054516106E-36
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:163>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsOxygen:1>
-2.321399817383495E-38
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:162>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsOxygen:0>
-2.0157019199902687E-40
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:161>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:160>
-0.0
-
-> <joelib2.feature.types.GlobalTopologicalChargeIndex:joelib2.feature.types.atomlabel.AtomIsAxial>
-joelib2.feature.types.atomlabel.AtomIsAxial
-5.450694444444446E-1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:159>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:158>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:157>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:156>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:155>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:154>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:153>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:152>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:151>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:150>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:149>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:148>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:147>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:146>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomExplicitHydrogenCount:99>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:145>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomExplicitHydrogenCount:98>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:144>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomExplicitHydrogenCount:97>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:143>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomExplicitHydrogenCount:96>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:142>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomExplicitHydrogenCount:95>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:141>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomExplicitHydrogenCount:94>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:140>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomExplicitHydrogenCount:93>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomExplicitHydrogenCount:92>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomExplicitHydrogenCount:91>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomExplicitHydrogenCount:90>
-0.0
-
-> <joelib2.feature.types.GlobalTopologicalChargeIndex:joelib2.feature.types.atomlabel.AtomHybridisation>
-joelib2.feature.types.atomlabel.AtomHybridisation
-1.6700694444444444
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:139>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:138>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:137>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:136>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomExplicitHydrogenCount:89>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:135>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomExplicitHydrogenCount:88>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:134>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomExplicitHydrogenCount:87>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:133>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomExplicitHydrogenCount:86>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:132>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomExplicitHydrogenCount:85>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:131>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomExplicitHydrogenCount:84>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:130>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomExplicitHydrogenCount:83>
-0.0
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomElectronAffinity>
-joelib2.feature.types.atomlabel.AtomElectronAffinity
-7
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-5.351351357263184E1
-3.859475385827636E1
-2.2799879496688845E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomExplicitHydrogenCount:82>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomExplicitHydrogenCount:81>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomExplicitHydrogenCount:80>
-0.0
-
-> <joelib2.feature.types.atomlabel.AtomIsClockwise>
-atom label
-versionID -457981825
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-boolean
-13
-0
-0
-0
-0
-0
-0
-0
-0
-0
-0
-0
-0
-0
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:129>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:128>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:127>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:126>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomExplicitHydrogenCount:79>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:125>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomExplicitHydrogenCount:78>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:124>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomExplicitHydrogenCount:77>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:123>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomExplicitHydrogenCount:76>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:122>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomExplicitHydrogenCount:75>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:121>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomExplicitHydrogenCount:74>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:120>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomExplicitHydrogenCount:73>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomExplicitHydrogenCount:72>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomExplicitHydrogenCount:71>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomExplicitHydrogenCount:70>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:119>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:118>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:117>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:116>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomExplicitHydrogenCount:69>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:115>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomExplicitHydrogenCount:68>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:114>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomExplicitHydrogenCount:67>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:113>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomExplicitHydrogenCount:66>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:112>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomExplicitHydrogenCount:65>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:111>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomExplicitHydrogenCount:64>
-0.0
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomPartialCharge>
-joelib2.feature.types.atomlabel.AtomPartialCharge
-13
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-1.34482347280229E-1
-1.1982542323323006E-1
-8.939006245594815E-2
-8.834321895046664E-2
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:110>
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-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomExplicitHydrogenCount:63>
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-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomExplicitHydrogenCount:62>
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-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomExplicitHydrogenCount:61>
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-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomExplicitHydrogenCount:60>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:109>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:108>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:107>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:106>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomExplicitHydrogenCount:59>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:105>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomExplicitHydrogenCount:58>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:104>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomExplicitHydrogenCount:57>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:103>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomExplicitHydrogenCount:56>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:102>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomExplicitHydrogenCount:55>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:101>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomExplicitHydrogenCount:54>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAxial:100>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomExplicitHydrogenCount:53>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomExplicitHydrogenCount:52>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomExplicitHydrogenCount:51>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomExplicitHydrogenCount:50>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomExplicitHydrogenCount:49>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomExplicitHydrogenCount:48>
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-> <joelib2.feature.types.RadialDistributionFunction_B1.0:joelib2.feature.types.atomlabel.AtomInAcceptor>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsPhosphateOxygen>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ConjugatedTopologicalDistance:153>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ConjugatedTopologicalDistance:152>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsNegative:8>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsNegative:7>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsNegative:6>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsNegative:5>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsNegative:4>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsNegative:3>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsNegative:2>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsAntiClockwise:3>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPhosphorus:12>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarbon:19>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarbon:17>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarbon:16>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarbon:15>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarbon:14>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarbon:13>
-2.3335426371894002E-1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarbon:12>
-8.562916953991898E-2
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarbon:11>
-2.7729428376125714E-2
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsCarbon:10>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomInRing:12>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomInRing:11>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomInRing:10>
-9.53996150605844E-3
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomKekuleBondOrderSum:6>
-8.4E1
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomKekuleBondOrderSum:5>
-2.24E2
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomKekuleBondOrderSum:4>
-3.0E2
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomKekuleBondOrderSum:3>
-3.68E2
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomKekuleBondOrderSum:2>
-3.88E2
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomKekuleBondOrderSum:1>
-3.28E2
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomKekuleBondOrderSum:0>
-3.14E2
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-> <joelib2.feature.types.RadialDistributionFunction_B1.0:joelib2.feature.types.atomlabel.AtomIsNitrogen>
-joelib2.feature.types.atomlabel.AtomIsNitrogen
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-> <joelib2.feature.types.count.HydrophobicGroups>
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-> <joelib2.feature.types.atomlabel.AtomIsNegative>
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-1.3847590466042647E-1
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:8>
-1.4013947087376244E-1
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:7>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:6>
-1.636891426159846E-1
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:5>
-2.4274938339637614E-1
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:4>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:3>
-2.578778972600737E-1
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:2>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:1>
-3.2065191471810545E-1
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:0>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPolarHydrogen:196>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPolarHydrogen:190>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPolarHydrogen:189>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPolarHydrogen:188>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPolarHydrogen:187>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPolarHydrogen:186>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPolarHydrogen:185>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPolarHydrogen:184>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPolarHydrogen:183>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPolarHydrogen:181>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPolarHydrogen:180>
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-> <joelib2.feature.types.GlobalTopologicalChargeIndex:joelib2.feature.types.atomlabel.AtomENSanderson>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPolarHydrogen:177>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.ConjugatedTopologicalDistance:9>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPolarHydrogen:176>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPolarHydrogen:175>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPolarHydrogen:174>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.ConjugatedTopologicalDistance:6>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsPolarHydrogen:173>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.ConjugatedTopologicalDistance:5>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:168>
-0.0
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:167>
-0.0
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:166>
-0.0
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:165>
-0.0
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:164>
-0.0
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:163>
-0.0
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:162>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:161>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:160>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsChiral:49>
-0.0
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsChiral:48>
-0.0
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsChiral:47>
-0.0
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsChiral:46>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsChiral:45>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsChiral:44>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsChiral:43>
-0.0
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsChiral:42>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsChiral:41>
-0.0
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsChiral:40>
-0.0
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:159>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:158>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:157>
-0.0
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:156>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:155>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:154>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:153>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:152>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:151>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:150>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsChiral:39>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsChiral:38>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsChiral:37>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsChiral:36>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsChiral:35>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsChiral:34>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsChiral:33>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsChiral:32>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsChiral:31>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsChiral:30>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:149>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:148>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:147>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:146>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:145>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:144>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:143>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:142>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:141>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:140>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsChiral:29>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsChiral:28>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsChiral:27>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsChiral:26>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsChiral:25>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsChiral:24>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsChiral:23>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsChiral:22>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsChiral:21>
-0.0
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomInRing:9>
-2.3004151196437547E-1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsChiral:20>
-0.0
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomInRing:8>
-2.407478197607539E-1
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomInRing:7>
-2.5709739111883334E-1
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomInRing:6>
-2.574068954932454E-1
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomInRing:5>
-7.056957428016035E-1
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomInRing:4>
-8.519533004122977E-1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:139>
-0.0
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomInRing:3>
-8.56111800745939E-1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:138>
-0.0
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomInRing:2>
-1.1494871426042759
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:137>
-0.0
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomInRing:1>
-1.1522952847024863
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:136>
-0.0
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomInRing:0>
-1.3060391062202523
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:135>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:134>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:133>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:132>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:131>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:130>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsChiral:19>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsChiral:18>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsChiral:17>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsChiral:16>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsChiral:15>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsChiral:14>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsChiral:13>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsChiral:12>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsChiral:11>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsChiral:10>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:129>
-0.0
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:128>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:127>
-0.0
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomBondOrderSum>
-joelib2.feature.types.atomlabel.AtomBondOrderSum
-7
-2.28E2
-2.46E2
-2.92E2
-2.76E2
-2.06E2
-1.26E2
-3.6E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:126>
-0.0
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:125>
-0.0
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:124>
-0.0
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:123>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:122>
-0.0
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:121>
-0.0
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:120>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:119>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:118>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:117>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:116>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:115>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:114>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:113>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:112>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:111>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:110>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:109>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:108>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:107>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:106>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:105>
-0.0
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:104>
-0.0
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:103>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:102>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:101>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide:100>
-0.0
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsPhosphorus:12>
-6.012329834614992E-4
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsPhosphorus:11>
-9.999999999999807E-4
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsPhosphorus:10>
-1.000000000000013E-3
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-> <joelib2.feature.types.atomlabel.AtomIsAntiClockwise>
-atom label
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-13
-0
-0
-0
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-0
-0
-0
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:9>
-1.565070228232402E-1
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:8>
-1.6097207742042732E-1
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:7>
-1.6752448757667285E-1
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:6>
-1.7753972946619426E-1
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:5>
-2.563273933413742E-1
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:4>
-2.570317752585918E-1
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:3>
-3.137847385639101E-1
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:2>
-3.1804687679099386E-1
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:1>
-9.991744656191353E-1
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen:0>
-1.0547350990138542
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.ConjElectroTopolState:6>
-1.3833692478263484E2
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.ConjElectroTopolState:5>
-1.2046017805934432E2
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.ConjElectroTopolState:4>
-1.457809889999651E2
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.ConjElectroTopolState:3>
-8.41738973342208E1
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.ConjElectroTopolState:2>
-9.575260065345746E1
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.ConjElectroTopolState:1>
-4.9407422094590274E1
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.ConjElectroTopolState:0>
-2.0849948571492706E2
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomPartialCharge:9>
--7.653499443858451E-5
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomPartialCharge:8>
--1.703181283219961E-5
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomPartialCharge:7>
--3.3448364649157166E-6
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomPartialCharge:6>
--5.796983909846524E-7
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomPartialCharge:5>
--8.866301452419801E-8
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomPartialCharge:4>
--1.1967297398050502E-8
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomPartialCharge:3>
--1.4254857061424258E-9
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomPartialCharge:2>
--1.4984520228542261E-10
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomPartialCharge:1>
--1.3900678863642652E-11
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomPartialCharge:0>
--1.138000284609256E-12
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsPositive:12>
-6.012329834614992E-4
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsPositive:11>
-9.999999999999807E-4
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsPositive:10>
-1.000000000000013E-3
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.ElectrotopologicalState>
-joelib2.feature.types.ElectrotopologicalState
-7
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-1.0410781838003206E2
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-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsAlphaBetaUnsaturated>
-joelib2.feature.types.atomlabel.AtomIsAlphaBetaUnsaturated
-13
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-
-> <joelib2.feature.types.atomlabel.AtomIsCarbon>
-atom label
-versionID -1250195278
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-boolean
-13
-1
-1
-1
-1
-1
-1
-1
-0
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-> <SMARTS_c_[CX4H3][#6]>
-1
-
-> <joelib2.feature.types.RadialDistributionFunction_B1.0:joelib2.feature.types.atomlabel.AtomIsChiral>
-joelib2.feature.types.atomlabel.AtomIsChiral
-197
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-> <joelib2.feature.types.GlobalTopologicalChargeIndex:joelib2.feature.types.GraphPotentials>
-joelib2.feature.types.GraphPotentials
-1.1943127464695458
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:196>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:195>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:194>
-0.0
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:193>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:192>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:191>
-0.0
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:190>
-0.0
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:189>
-0.0
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:188>
-0.0
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:187>
-0.0
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:186>
-0.0
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:185>
-0.0
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:184>
-0.0
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:183>
-0.0
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:182>
-0.0
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:181>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:180>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction_B1.0:joelib2.feature.types.atomlabel.AtomENSanderson>
-joelib2.feature.types.atomlabel.AtomENSanderson
-197
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:179>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:178>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:177>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:176>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:175>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:174>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:173>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:172>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:171>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:170>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:169>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:168>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:167>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:166>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:165>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:164>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:163>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:162>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:161>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:160>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:159>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:158>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:157>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:156>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:155>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:154>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:153>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:152>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:151>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:150>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:149>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:148>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:147>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:146>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:145>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:144>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:143>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:142>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:141>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:140>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:139>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:138>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:137>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:136>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:135>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:134>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:133>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:132>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:131>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:130>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:129>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:128>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:127>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:126>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:125>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:138>
-1.316822135813751E-23
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:137>
-5.024054872759531E-22
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:136>
-1.6915888764244258E-20
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:135>
-5.0263005980642855E-19
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:134>
-1.3179996239261458E-17
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:133>
-3.0499681608704826E-16
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:132>
-6.2285723909217474E-15
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:131>
-1.1225221484312949E-13
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:130>
-1.7853136028519898E-12
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:129>
-2.5058051873168676E-11
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:128>
-3.1037968813914377E-10
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:127>
-3.392754905546217E-9
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:126>
-3.2728409704995986E-8
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:125>
-2.7861889835171065E-7
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:124>
-2.0931943292714175E-6
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:123>
-1.3877842623272472E-5
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:122>
-8.119850483457856E-5
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:121>
-4.192646428788563E-4
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:120>
-1.9104844495208286E-3
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:119>
-7.68273188466163E-3
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:118>
-2.726518226880917E-2
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:117>
-8.539431245889068E-2
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:116>
-2.3604331069512663E-1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:115>
-5.758710196768313E-1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:114>
-1.240184139584053
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:113>
-2.358233409795397
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:112>
-3.961403425504538
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:111>
-5.884514089933598
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:110>
-7.745116763457314
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:109>
-9.066829457629655
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:108>
-9.508343521947362
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.ElectrogeometricalState>
-joelib2.feature.types.ElectrogeometricalState
-13
-4.7309635259817755
-4.630302660459171
-2.2775452522835815
-2.1381203505940376
-2.051893366613891
-2.0329436013672812
-1.960227552593857
-1.7904157103646097
-1.1847051720638841
-1.0305290180116293
-9.877179772245575E-1
-8.309474238837443E-1
-5.203550552246435E-1
-
-> <joelib2.feature.types.atomlabel.AtomInAcceptor>
-atom label
-versionID -646670400
-boolean 0,1
-boolean
-13
-0
-0
-0
-0
-0
-0
-0
-1
-0
-1
-0
-1
-1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:107>
-9.047758189132109
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:106>
-7.976559702141257
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:105>
-6.704102946694408
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:104>
-5.530738646515759
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:103>
-4.5608211518889705
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:102>
-3.7903199600455197
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:101>
-3.259318348955992
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:100>
-3.1306859703555876
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsAxial:12>
-6.012329834614992E-4
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsAxial:11>
-9.999999999999807E-4
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsAxial:10>
-1.000000000000013E-3
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomPartialCharge:9>
-1.34482347280229E-1
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomPartialCharge:8>
-2.0101417043593614E-1
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomPartialCharge:7>
-2.1601782762588875E-1
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomPartialCharge:6>
-2.6878990715692863E-1
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomPartialCharge:5>
-3.149982946783811E-1
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomPartialCharge:4>
-3.739579650201986E-1
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomPartialCharge:3>
-4.3854902099953935E-1
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomPartialCharge:2>
-4.6120053350444074E-1
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomPartialCharge:1>
-5.453136076780826E-1
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomPartialCharge:0>
-6.256265605222116E-1
-
-> <joelib2.feature.types.RadialDistributionFunction_B1.0:joelib2.feature.types.CharacteristicPolynomialCoefficients>
-joelib2.feature.types.CharacteristicPolynomialCoefficients
-197
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-3.264356132090267E-7
-3.5186933708199035E-6
-3.347175641702657E-5
-2.8098864609847466E-4
-2.0816716652878385E-3
-1.3609710266276127E-2
-7.852333172966496E-2
-3.998174516593604E-1
-1.7965444414825729
-7.124056790088725
-2.4930441551398463E1
-7.699202776708428E1
-2.09833456748679E2
-5.0468093864986724E2
-1.0712041804153487E3
-2.0065075829585471E3
-3.316824873400636E3
-4.838574893368274E3
-6.229104021870375E3
-7.076962405878911E3
-7.095473470963357E3
-6.278111652626496E3
-4.902184152562207E3
-3.3780102913860233E3
-2.054104794040445E3
-1.1017456579944396E3
-5.190504321628243E2
-2.0614635070026782E2
-3.850486317752676E1
--1.0264766443425937E2
--3.414433140018513E2
--8.322015294148794E2
--1.7590882250539548E3
--3.275761691026968E3
--5.383608205367118E3
--7.812372892989975E3
--1.0017478868981367E4
--1.1368396632917194E4
--1.1459509588912773E4
--1.0341175419390633E4
--8.49204101624936E3
--6.543417566694095E3
--4.954910038640604E3
--3.8558131729467877E3
--3.113082037971686E3
--2.5191262833565484E3
--1.9452625599349421E3
--1.381111781540866E3
--8.836758510655138E2
--5.088237341101242E2
--2.7929022513014417E2
--1.983117322486679E2
--2.885014214800463E2
--6.292963715328141E2
--1.366680265051903E3
--2.6677542568530725E3
--4.607361520039738E3
--7.024675074950674E3
--9.45223929758947E3
--1.1224301191230703E4
--1.1762442484981255E4
--1.087799762242171E4
--8.877968577064761E3
--6.394276884099272E3
--4.0642691650399256E3
--2.279747121468856E3
--1.1285065346415538E3
--4.929860732879529E2
--1.900544530459589E2
--6.465881741228254E1
--1.9407081270662736E1
--5.111233714584531
--1.0582065262608373
-3.171865822479555E-1
-1.906065010628884
-5.935687354822951
-1.5972529246356375E1
-3.788898447873685E1
-7.931225480447812E1
-1.4651412376863348E2
-2.388536087336986E2
-3.4363493442602686E2
-4.362907437193419E2
-4.888412879382464E2
-4.8336249528356484E2
-4.2178507685263537E2
-3.2480496532118593E2
-2.2073301697665332E2
-1.323808388010646E2
-7.006419678701144E1
-3.2725052840481325E1
-1.3488937893230965E1
-4.906686869114199
-1.5751144711277785
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-2.4612889076863865E-2
-4.792246309734788E-3
-8.234341199989802E-4
-1.2486242786756543E-4
-1.6708900840700785E-5
-1.9732275841070426E-6
-2.0564571465020667E-7
-1.8913649631598925E-8
-1.5351266286629783E-9
-1.0995785528538493E-10
-6.950587346930237E-12
-3.877304776775544E-13
-1.908761052241786E-14
-8.292517163281447E-16
-3.179321032851601E-17
-1.0757109190541605E-18
-3.211958760448315E-20
-8.463646850423217E-22
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-4.03898508973125E-25
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-5.500678004180374E-76
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-2.0315053673456063E-94
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-8.33478797410106E-115
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-4.908614605784418E-122
-9.875541295649246E-126
-1.7533801000590667E-129
-2.7472895033803597E-133
-3.798795983997408E-137
-4.635543953406066E-141
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-3.978726085744398E-153
-2.9447710402184697E-157
-1.9234115313004413E-161
-1.1086796782408577E-165
-5.639662938163808E-170
-2.5317067516990966E-174
-1.0029674546355705E-178
-3.5064969989813234E-183
-1.0818655508634365E-187
-2.9456849938429578E-192
-7.078031683913229E-197
-1.5009004650532184E-201
-2.808694292448851E-206
-4.638421820375706E-211
-6.760038979121463E-216
-8.694434678966215E-221
-9.868398704337253E-226
-9.884739214489651E-231
-8.737696067228455E-236
-6.816192420019373E-241
-4.692453089328597E-246
-2.8508293877754284E-251
-1.5284657246385918E-256
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-3.0197029823769274E-267
-1.1127260985499503E-272
-3.618474451480681E-278
-1.0384269162174938E-283
-2.6299019212643992E-289
-5.877821022994983E-295
-1.159328075030358E-300
-2.0179459897733155E-306
-3.09974460514E-312
-4.20286E-318
-0.0
-0.0
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:99>
--1.0190268793877543E5
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:98>
--4.972162656284314E4
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:97>
--1.2073694771612545E4
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:96>
-1.2188322225883594E4
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:95>
-2.5085456693349093E4
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:94>
-2.7406042993788324E4
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:93>
-1.7285233169068033E4
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:92>
--1.1635100117165146E4
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:91>
--7.267631699222003E4
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:90>
--1.870711020474274E5
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:89>
--3.797267155779998E5
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:88>
--6.680966507147899E5
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:87>
--1.0480712974676128E6
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:86>
--1.4856383519627599E6
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:85>
--1.9209997419025188E6
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:84>
--2.2830806810983885E6
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:83>
--2.5060823661178243E6
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:82>
--2.543075276634315E6
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:81>
--2.3782541133208955E6
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:80>
--2.0376370227508508E6
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:79>
--1.5897842597645374E6
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:78>
--1.1285726599942436E6
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:77>
--7.438363330322754E5
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:76>
--4.972281473948482E5
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:75>
--4.1494240746985393E5
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:74>
--4.923430467769845E5
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:73>
--6.975904822442234E5
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:72>
--9.705612974476021E5
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:71>
--1.2278671597956386E6
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:70>
--1.3861836789332945E6
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:69>
--1.3998832246780721E6
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:68>
--1.2906318805747596E6
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:67>
--1.1457788826497763E6
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:66>
--1.081081716932984E6
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:65>
--1.1848177585739691E6
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:64>
--1.46963561420468E6
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:63>
--1.8555578755682637E6
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:62>
--2.1970508241193923E6
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:61>
--2.3477155311302734E6
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:60>
--2.2312653563724887E6
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:59>
--1.876397976062049E6
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:58>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:56>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:47>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:46>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:45>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:44>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:43>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:42>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:41>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:38>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:36>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:34>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:33>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:32>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:31>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:30>
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomIsAxial>
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-> <joelib2.feature.types.GlobalTopologicalChargeIndex:joelib2.feature.types.atomlabel.AtomInDonAcc>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:29>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:28>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:27>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:26>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:25>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:24>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:23>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:22>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:21>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:20>
-1.290279463067976E7
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:19>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:18>
-8.822400258302057E6
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:17>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:16>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:15>
-1.9533954153922645E6
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:14>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:13>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:12>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:11>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsClockwise:12>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.CharacteristicPolynomial:10>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsClockwise:11>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsClockwise:10>
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-> <joelib2.feature.types.RadialDistributionFunction_B1.0:joelib2.feature.types.atomlabel.AtomIsPolarHydrogen>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsOxygen:9>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsOxygen:8>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsOxygen:7>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsOxygen:6>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsOxygen:5>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsOxygen:4>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsOxygen:3>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsOxygen:2>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsOxygen:1>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsOxygen:0>
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-> <joelib2.feature.types.GraphPotentials>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.IntrinsicState:9>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.IntrinsicState:8>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.IntrinsicState:7>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.IntrinsicState:6>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.IntrinsicState:5>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.IntrinsicState:4>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.IntrinsicState:3>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.IntrinsicState:2>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.IntrinsicState:1>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.IntrinsicState:0>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:99>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:98>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:97>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:96>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:95>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsAmideNitrogen:94>
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-> <joelib2.feature.types.RadialDistributionFunction_B1.0:joelib2.feature.types.atomlabel.AtomIsAntiClockwise>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomVanDerWaalsVolume:3>
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-> <joelib2.feature.types.atomlabel.AtomIsHeteroatom>
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomValenceSum:4>
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomValenceSum:3>
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomValenceSum:2>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomVanDerWaalsVolume:195>
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomValenceSum:0>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomVanDerWaalsVolume:192>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomVanDerWaalsVolume:191>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomPartialCharge:96>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomVanDerWaalsVolume:190>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomPartialCharge:95>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomPartialCharge:94>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomPartialCharge:93>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomVanDerWaalsVolume:182>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomPartialCharge:87>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomVanDerWaalsVolume:181>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomPartialCharge:86>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomVanDerWaalsVolume:180>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomPartialCharge:84>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomPartialCharge:83>
-8.153555050954804E-2
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomPartialCharge:82>
-1.0445629234323034E-1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomPartialCharge:81>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomPartialCharge:80>
-1.1190334540939462E-1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomVanDerWaalsVolume:179>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomVanDerWaalsVolume:174>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomVanDerWaalsVolume:151>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomVanDerWaalsVolume:150>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomPartialCharge:54>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomVanDerWaalsVolume:143>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomVanDerWaalsVolume:142>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomVanDerWaalsVolume:140>
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-> <joelib2.feature.types.RadialDistributionFunction_B1.0:joelib2.feature.types.atomlabel.AtomIsOxygen>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomVanDerWaalsVolume:133>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomPartialCharge:38>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomVanDerWaalsVolume:132>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomPartialCharge:37>
-4.4751332896434326E-1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomVanDerWaalsVolume:131>
-1.168796233206534E-13
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomPartialCharge:36>
-3.508897758785987E-1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomVanDerWaalsVolume:130>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomPartialCharge:35>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomPartialCharge:34>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomPartialCharge:33>
-7.931989612393703E-2
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomPartialCharge:32>
-3.75377090989654E-2
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomPartialCharge:31>
-1.5419564063674427E-2
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomPartialCharge:30>
-4.694735886535286E-3
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomVanDerWaalsVolume:129>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomVanDerWaalsVolume:128>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomVanDerWaalsVolume:127>
-3.532538311847403E-9
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomVanDerWaalsVolume:126>
-3.40766529679191E-8
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomVanDerWaalsVolume:125>
-2.900949999300709E-7
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomVanDerWaalsVolume:124>
-2.179399693318267E-6
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomPartialCharge:29>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomVanDerWaalsVolume:123>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomPartialCharge:28>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomVanDerWaalsVolume:122>
-8.454167422486774E-5
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomPartialCharge:27>
--2.2125691168197043E-2
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomVanDerWaalsVolume:121>
-4.3652485201544624E-4
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomPartialCharge:26>
--4.697626573906164E-2
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomVanDerWaalsVolume:120>
-1.989126745671415E-3
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomPartialCharge:25>
--8.758117344266515E-2
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomPartialCharge:24>
--1.4402159521089425E-1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomPartialCharge:23>
--2.0899381190587765E-1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomPartialCharge:22>
--2.6763928383638375E-1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomPartialCharge:21>
--3.024678439872517E-1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomPartialCharge:20>
--3.016627777153339E-1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomVanDerWaalsVolume:119>
-7.998958131153644E-3
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomVanDerWaalsVolume:118>
-2.8387431637057675E-2
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomVanDerWaalsVolume:117>
-8.890964594084522E-2
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomVanDerWaalsVolume:116>
-2.4576408220646642E-1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomVanDerWaalsVolume:115>
-5.996084272358907E-1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomVanDerWaalsVolume:114>
-1.2914045967380265
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomPartialCharge:19>
--2.6550788925240487E-1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomVanDerWaalsVolume:113>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomPartialCharge:18>
--2.062273811174711E-1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomVanDerWaalsVolume:112>
-4.12698692519024
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomPartialCharge:17>
--1.4136061165390662E-1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomVanDerWaalsVolume:111>
-6.134380574665853
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomPartialCharge:16>
--8.55113370400024E-2
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomVanDerWaalsVolume:110>
-8.08409081722801
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomPartialCharge:15>
--4.564909487977398E-2
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomPartialCharge:14>
--2.1505712574118426E-2
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomPartialCharge:13>
--8.941053546702219E-3
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomPartialCharge:12>
--3.28047510980287E-3
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomPartialCharge:11>
--1.062179683958501E-3
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomPartialCharge:10>
--3.035095959330841E-4
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomVanDerWaalsVolume:109>
-9.486614101935478
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomVanDerWaalsVolume:108>
-9.994216704452446
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomVanDerWaalsVolume:107>
-9.588879996467353
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomVanDerWaalsVolume:106>
-8.570024278865954
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomVanDerWaalsVolume:105>
-7.346261514939242
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomVanDerWaalsVolume:104>
-6.19996010578588
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomVanDerWaalsVolume:103>
-5.203236736855258
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomVanDerWaalsVolume:102>
-4.315580024907402
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomVanDerWaalsVolume:101>
-3.5416843006857617
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomVanDerWaalsVolume:100>
-3.007200791236161
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsUnsaturated:9>
-6.238194192955014E-2
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsUnsaturated:8>
-2.3048983465692152E-1
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsUnsaturated:7>
-2.4074814573567782E-1
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsUnsaturated:6>
-7.055775244904758E-1
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomHybridisation:6>
-6.0E1
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsUnsaturated:5>
-8.518813667718664E-1
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomHybridisation:5>
-1.0E2
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsUnsaturated:4>
-8.559278701715411E-1
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomHybridisation:4>
-1.28E2
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsUnsaturated:3>
-1.0620673045223759
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomHybridisation:3>
-1.32E2
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsUnsaturated:2>
-1.1495488069122026
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomHybridisation:2>
-1.44E2
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsUnsaturated:1>
-1.1524668228980393
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomHybridisation:1>
-1.08E2
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsUnsaturated:0>
-1.3061703236869633
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomHybridisation:0>
-1.14E2
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsHydrogen:12>
-6.012329834614992E-4
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsHydrogen:11>
-9.999999999999807E-4
-
-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsHydrogen:10>
-1.000000000000013E-3
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.ConjElectroTopolState:12>
-4.080861442182282E-3
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.ConjElectroTopolState:11>
-2.684567702990944E-1
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.ConjElectroTopolState:10>
-5.551135501058224E-1
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-> <joelib2.feature.types.atomlabel.AtomInRing>
-atom label
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValenceSum:99>
-1.164819514765367E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValenceSum:98>
-1.2838209651384231E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValenceSum:97>
-1.5950921376433094E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValenceSum:96>
-1.991735907616061E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValenceSum:95>
-2.3154383674878456E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValenceSum:94>
-2.4297955862730642E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValenceSum:93>
-2.2942725117770642E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValenceSum:92>
-1.9975672791284094E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValenceSum:91>
-1.7326694971489434E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValenceSum:90>
-1.729997000859758E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValenceSum:89>
-2.1789201062674024E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValenceSum:88>
-3.1588562943690096E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValenceSum:87>
-4.5943556926410736E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValenceSum:86>
-6.2547363719642E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValenceSum:85>
-7.813774527068358E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValenceSum:84>
-8.951078524951733E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValenceSum:83>
-9.443847412373849E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValenceSum:82>
-9.209200182329661E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValenceSum:81>
-8.30247672814914E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValenceSum:80>
-6.899196788285802E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValenceSum:79>
-5.267743995847257E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValenceSum:78>
-3.721047002895596E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValenceSum:77>
-2.5537623296036703E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValenceSum:76>
-1.9954241389048363E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValenceSum:75>
-2.1928940463187363E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValenceSum:74>
-3.192146359920309E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValenceSum:73>
-4.883905526401374E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValenceSum:72>
-6.937580149416462E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValenceSum:71>
-8.815392081233526E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValenceSum:70>
-9.940780268822078E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValenceSum:69>
-9.973525744483668E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValenceSum:68>
-9.022211825225341E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValenceSum:67>
-7.633069893187586E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValenceSum:66>
-6.540156187140666E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValenceSum:65>
-6.314921839552453E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValenceSum:64>
-7.096093995183033E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValenceSum:63>
-8.521227758438442E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValenceSum:62>
-9.889817833026517E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValenceSum:61>
-1.0492294595564762E2
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValenceSum:60>
-9.946883589211666E1
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomIsAromaticNOxide>
-joelib2.feature.types.atomlabel.AtomIsAromaticNOxide
-7
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-0.0
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValenceSum:59>
-8.357577558802156E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValenceSum:58>
-6.20629583654146E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValenceSum:57>
-4.070120327180234E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValenceSum:56>
-2.3597110790421517E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValenceSum:55>
-1.2212629978213348E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValenceSum:54>
-6.029764729917868
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValenceSum:53>
-3.9108587664359837
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValenceSum:52>
-5.216620630352243
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValenceSum:51>
-1.0240309078189863E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValenceSum:50>
-1.989084035182921E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValenceSum:49>
-3.474863613173635E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValenceSum:48>
-5.391922267829359E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValenceSum:47>
-7.453397057648465E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValenceSum:46>
-9.275475793883079E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValenceSum:45>
-1.0619388526198334E2
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValenceSum:44>
-1.1616032879060461E2
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValenceSum:43>
-1.2751170739413455E2
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValenceSum:42>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:186>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:175>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:174>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:173>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:172>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:166>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:162>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:161>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:160>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:159>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:158>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:157>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:155>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:154>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:152>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:151>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:150>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:149>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:148>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:147>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:128>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:127>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsHalogen:126>
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-> <joelib2.feature.types.RadialDistributionFunction_B1.0:joelib2.feature.types.atomlabel.AtomInRing>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsSulfateOxygen:195>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsSulfateOxygen:192>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsSulfateOxygen:190>
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-> <joelib2.feature.types.RadialDistributionFunction_B1.0:joelib2.feature.types.atomlabel.AtomHeavyValence>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsSulfateOxygen:187>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsSulfateOxygen:186>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsSulfateOxygen:185>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsSulfateOxygen:184>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsSulfateOxygen:183>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsSulfateOxygen:182>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsSulfateOxygen:181>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsSulfateOxygen:180>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsSulfateOxygen:179>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsSulfateOxygen:178>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsSulfateOxygen:177>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsSulfateOxygen:176>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsSulfateOxygen:175>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsSulfateOxygen:172>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsSulfateOxygen:171>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsSulfateOxygen:170>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsSulfateOxygen:162>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsSulfateOxygen:161>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsSulfateOxygen:160>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsSulfateOxygen:159>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsSulfateOxygen:147>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsSulfateOxygen:146>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomImplicitValence:93>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomImplicitValence:92>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomImplicitValence:91>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomImplicitValence:73>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomImplicitValence:68>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNegative:182>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomImplicitValence:67>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNegative:181>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomImplicitValence:66>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNegative:180>
-0.0
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomImplicitValence:65>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomImplicitValence:64>
-4.290319812660727E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomImplicitValence:63>
-5.1580580392526045E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomImplicitValence:62>
-5.989377571586897E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomImplicitValence:61>
-6.35532303239949E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomImplicitValence:60>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrogeometricalState:29>
-6.034585369591368E-1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrogeometricalState:28>
-1.0768227500892074
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-> <joelib2.feature.types.atomlabel.AtomIsNitrogen>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrogeometricalState:27>
-2.434625590560671
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrogeometricalState:26>
-5.109158126201158
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrogeometricalState:25>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNegative:179>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrogeometricalState:24>
-1.5645646458177039E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNegative:178>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrogeometricalState:23>
-2.270600324212784E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNegative:177>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrogeometricalState:22>
-2.90806396393338E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNegative:176>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrogeometricalState:21>
-3.2868562626792716E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNegative:175>
-0.0
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrogeometricalState:20>
-3.2784660827767894E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNegative:174>
-0.0
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomImplicitValence:59>
-5.062630467451109E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNegative:173>
-0.0
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomImplicitValence:58>
-3.759469616705614E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNegative:172>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomImplicitValence:57>
-2.4654119244912657E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNegative:171>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsNitrogen:12>
-6.012329834614992E-4
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomImplicitValence:56>
-1.4291240133444228E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNegative:170>
-0.0
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsNitrogen:11>
-9.999999999999807E-4
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomImplicitValence:55>
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-> <joelib2.feature.types.BurdenModifiedEigenvalues:joelib2.feature.types.atomlabel.AtomIsNitrogen:10>
-1.000000000000013E-3
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomImplicitValence:53>
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-2.9307097262362958
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomImplicitValence:51>
-5.6889469804532915
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomImplicitValence:50>
-1.1031006722549138E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:99>
-3.6331777452922096
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:98>
-4.902217368127211
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:97>
-6.810986096200025
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:96>
-8.905932684603338
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:95>
-1.0533173199787619E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrogeometricalState:19>
-2.8858507977790538E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:94>
-1.1142183336335455E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrogeometricalState:18>
-2.241765831268025E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:93>
-1.0621408720793973E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrogeometricalState:17>
-1.5368086974367266E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:92>
-9.471668037918871
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrogeometricalState:16>
-9.297422493421928
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:91>
-8.718296150961214
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrogeometricalState:15>
-4.963848477677487
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNegative:169>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:90>
-9.609766659373399
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrogeometricalState:14>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNegative:168>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrogeometricalState:13>
-9.724560731628423E-1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNegative:167>
-0.0
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrogeometricalState:12>
-3.5683341820936415E-1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNegative:166>
-0.0
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrogeometricalState:11>
-1.1555114149694427E-1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNegative:165>
-0.0
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.ElectrogeometricalState:10>
-3.3021450989820914E-2
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-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomImplicitValence:49>
-1.9269153501325146E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNegative:163>
-0.0
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomIsElectronegative:6>
-4.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomImplicitValence:48>
-2.9910157216172813E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNegative:162>
-0.0
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomIsElectronegative:5>
-0.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomImplicitValence:47>
-4.138021837625382E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNegative:161>
-0.0
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomIsElectronegative:4>
-4.0
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomImplicitValence:46>
-5.158933567460686E1
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNegative:160>
-0.0
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomIsElectronegative:3>
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-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomImplicitValence:45>
-5.928026856938374E1
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomIsElectronegative:2>
-4.0
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomImplicitValence:44>
-6.526856291425476E1
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-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomIsElectronegative:1>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomImplicitValence:43>
-7.232704404340633E1
-
-> <joelib2.feature.types.Autocorrelation:joelib2.feature.types.atomlabel.AtomIsElectronegative:0>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomImplicitValence:42>
-8.324678395615545E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomImplicitValence:41>
-9.816131669054974E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomImplicitValence:40>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:89>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:88>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:87>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:86>
-4.0152894483109776E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:85>
-5.001156081688283E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:84>
-5.700228813610938E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:83>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:82>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:81>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:80>
-4.2865559112141575E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNegative:156>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNegative:155>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomImplicitValence:39>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomImplicitValence:38>
-1.1966674051792249E2
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNegative:152>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomImplicitValence:37>
-1.0485308060227786E2
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNegative:151>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomImplicitValence:36>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNegative:150>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomImplicitValence:35>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomImplicitValence:34>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomImplicitValence:33>
-1.8344584645095633E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomImplicitValence:32>
-8.718501453450578
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomImplicitValence:31>
-3.7372080641956256
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomImplicitValence:30>
-1.6920638341807759
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:79>
-3.260549837261675E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:78>
-2.3035553659123455E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:77>
-1.5994305555780976E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:76>
-1.2964246982137224E1
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:75>
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-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:74>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:73>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:72>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:71>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:70>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNegative:148>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNegative:147>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNegative:142>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomImplicitValence:27>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomImplicitValence:26>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomIsNegative:140>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomImplicitValence:25>
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-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomImplicitValence:24>
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-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomImplicitValence:23>
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-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomImplicitValence:22>
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-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomImplicitValence:21>
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-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomImplicitValence:20>
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-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomBondOrderSum:69>
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-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValence:149>
-6.13650042527711E-45
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValence:148>
-9.259667821038404E-43
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValence:147>
-1.2330572375050106E-40
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValence:146>
-1.4490529556215786E-38
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValence:145>
-1.5027905947684334E-36
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValence:144>
-1.375390025956976E-34
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValence:143>
-1.1108782500374176E-32
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValence:142>
-7.918086609994233E-31
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValence:141>
-4.9806637482847024E-29
-
-> <joelib2.feature.types.RadialDistributionFunction:joelib2.feature.types.atomlabel.AtomValence:140>
-2.764823351468105E-27
-
-$$$$
generated by cgit v1.2.3 (git 2.25.1) at 2024-04-16 10:23:22 +0000