data/barriers_e2/test.csv

AAM,ea
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[Cl:1][C@:5]([C@:4]([H:3])([C:31]([H:32])([H:33])[H:34])[C:41]#[N:42])([H:11])[N:21]([H:22])[H:23].[H-:2]>>[C:4](=[C:5](/[H:11])[N:21]([H:22])[H:23])(\[C:31]([H:32])([H:33])[H:34])[C:41]#[N:42].[Cl-:1].[H:2][H:3],3.7625480493191503
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[Cl:1][C@:5]([C@:4]([H:3])([C:31]([H:32])([H:33])[H:34])[C:41]#[N:42])([N+:11]([O-:12])[O:13])[H:21].[H-:2]>>[C:4](=[C:5](/[N+:11]([O-:12])[O:13])[H:21])(\[C:31]([H:32])([H:33])[H:34])[C:41]#[N:42].[Cl-:1].[H:2][H:3],0.7537732444414704
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[Br:1][C@:5]([C:4]([H:3])([C:31]([H:32])([H:33])[H:34])[C:41]([H:42])([H:43])[H:44])([H:11])[N:21]([H:22])[H:23].[H-:2]>>[Br-:1].[C:4](=[C:5]([H:11])[N:21]([H:22])[H:23])([C:31]([H:32])([H:33])[H:34])[C:41]([H:42])([H:43])[H:44].[H:2][H:3],12.504939534020494
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[F:1][C@:5]([C:4]([H:3])([N:31]([H:32])[H:33])[N:41]([H:42])[H:43])([H:11])[N:21]([H:22])[H:23].[H-:2]>>[C:4](=[C:5]([H:11])[N:21]([H:22])[H:23])([N:31]([H:32])[H:33])[N:41]([H:42])[H:43].[F-:1].[H:2][H:3],28.12116065910884
[Cl:1][C@:5]([C:4]([H:3])([C:31]#[N:32])[H:41])([H:11])[N:21]([H:22])[H:23].[F-:2]>>[C:4](=[C:5](/[H:11])[N:21]([H:22])[H:23])(\[C:31]#[N:32])[H:41].[Cl-:1].[F:2][H:3],6.0392771463100265
[Br:1][C@:5]([C:4]([H:3])([N:31]([H:32])[H:33])[H:41])([N+:11]([O-:12])[O:13])[H:21].[Cl-:2]>>[Br-:1].[C:4](=[C:5](/[N+:11]([O-:12])[O:13])[H:21])(\[N:31]([H:32])[H:33])[H:41].[Cl:2][H:3],33.87766498237833
[Br:1][C@:5]([C@:4]([H:3])([C:31]([H:32])([H:33])[H:34])[C:41]#[N:42])([N+:11]([O-:12])[O:13])[N:21]([H:22])[H:23].[H-:2]>>[Br-:1].[C:4](=[C:5](/[N+:11]([O-:12])[O:13])[N:21]([H:22])[H:23])(\[C:31]([H:32])([H:33])[H:34])[C:41]#[N:42].[H:2][H:3],0.5156142262452613
[F-:2].[F:1][C@:5]([C@:4]([H:3])([N:31]([H:32])[H:33])[C:41]([H:42])([H:43])[H:44])([C:11]([H:12])([H:13])[H:14])[H:21]>>[C:4](=[C:5](/[C:11]([H:12])([H:13])[H:14])[H:21])(\[N:31]([H:32])[H:33])[C:41]([H:42])([H:43])[H:44].[F-:1].[F:2][H:3],22.119340320114627
[Cl-:2].[Cl:1][C@:5]([C@:4]([H:3])([C:31]([H:32])([H:33])[H:34])[C:41]#[N:42])([C:11]#[N:12])[H:21]>>[C:4](=[C:5](/[C:11]#[N:12])[H:21])(\[C:31]([H:32])([H:33])[H:34])[C:41]#[N:42].[Cl-:1].[Cl:2][H:3],28.758119276300427
[Br:1][C@:5]([C:4]([H:3])([H:31])[N:41]([H:42])[H:43])([C:11]#[N:12])[H:21].[Cl-:2]>>[Br-:1].[C:4](=[C:5](/[C:11]#[N:12])[H:21])(\[H:31])[N:41]([H:42])[H:43].[Cl:2][H:3],33.981358748828306
[F:1][C@:5]([C:4]([H:3])([N:31]([H:32])[H:33])[H:41])([N+:11]([O-:12])[O:13])[N:21]([H:22])[H:23].[H-:2]>>[C:4](=[C:5](/[N+:11]([O-:12])[O:13])[N:21]([H:22])[H:23])(\[N:31]([H:32])[H:33])[H:41].[F-:1].[H:2][H:3],10.332008941517492
[F:1][C@:5]([C:4]([H:3])([C:31]#[N:32])[H:41])([N:11]([H:12])[H:13])[N+:21]([O-:22])[O:23].[H-:2]>>[C:4](=[C:5](/[N:11]([H:12])[H:13])[N+:21]([O-:22])[O:23])(\[C:31]#[N:32])[H:41].[F-:1].[H:2][H:3],6.3428009395793365
[Br-:2].[Cl:1][C@:5]([C@:4]([H:3])([C:31]([H:32])([H:33])[H:34])[N:41]([H:42])[H:43])([H:11])[N+:21]([O-:22])[O:23]>>[Br:2][H:3].[C:4](=[C:5](/[H:11])[N+:21]([O-:22])[O:23])(\[C:31]([H:32])([H:33])[H:34])[N:41]([H:42])[H:43].[Cl-:1],43.57944796903035
[Cl-:2].[Cl:1][C@:5]([C:4]([H:3])([C:31]#[N:32])[H:41])([C:11]#[N:12])[N+:21]([O-:22])[O:23]>>[C:4](=[C:5](/[C:11]#[N:12])[N+:21]([O-:22])[O:23])(\[C:31]#[N:32])[H:41].[Cl-:1].[Cl:2][H:3],20.54561852299873
[Cl:1][C@:5]([C:4]([H:3])([N:31]([H:32])[H:33])[H:41])([H:11])[C:21]#[N:22].[F-:2]>>[C:4](=[C:5](/[H:11])[C:21]#[N:22])(\[N:31]([H:32])[H:33])[H:41].[Cl-:1].[F:2][H:3],15.984410184576726
[Br:1][C@:5]([C@:4]([H:3])([C:31]([H:32])([H:33])[H:34])[N:41]([H:42])[H:43])([C:11]([H:12])([H:13])[H:14])[C:21]#[N:22].[F-:2]>>[Br-:1].[C:4](=[C:5](/[C:11]([H:12])([H:13])[H:14])[C:21]#[N:22])(\[C:31]([H:32])([H:33])[H:34])[N:41]([H:42])[H:43].[F:2][H:3],8.808456705610073
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[Br:1][C@:5]([C:4]([H:3])([C:31]([H:32])([H:33])[H:34])[H:41])([N+:11]([O-:12])[O:13])[C:21]([H:22])([H:23])[H:24].[H-:2]>>[Br-:1].[C:4](=[C:5](/[N+:11]([O-:12])[O:13])[C:21]([H:22])([H:23])[H:24])(\[C:31]([H:32])([H:33])[H:34])[H:41].[H:2][H:3],3.4096277015653045
[Cl-:2].[Cl:1][C@:5]([C:4]([H:3])([H:31])[C:41]([H:42])([H:43])[H:44])([C:11]#[N:12])[N:21]([H:22])[H:23]>>[C:4](=[C:5](/[C:11]#[N:12])[N:21]([H:22])[H:23])(\[H:31])[C:41]([H:42])([H:43])[H:44].[Cl-:1].[Cl:2][H:3],32.80745141653141
[F:1][C@:5]([C:4]([H:3])([C:31]([H:32])([H:33])[H:34])[C:41]([H:42])([H:43])[H:44])([H:11])[C:21]#[N:22].[H-:2]>>[C:4](=[C:5]([H:11])[C:21]#[N:22])([C:31]([H:32])([H:33])[H:34])[C:41]([H:42])([H:43])[H:44].[F-:1].[H:2][H:3],10.407360688780004
[Cl-:2].[Cl:1][C@:5]([C@:4]([H:3])([N:31]([H:32])[H:33])[C:41]([H:42])([H:43])[H:44])([C:11]#[N:12])[C:21]([H:22])([H:23])[H:24]>>[C:4](=[C:5](/[C:11]#[N:12])[C:21]([H:22])([H:23])[H:24])(\[N:31]([H:32])[H:33])[C:41]([H:42])([H:43])[H:44].[Cl-:1].[Cl:2][H:3],36.504377220572
[Br:1][C@:5]([C:4]([H:3])([H:31])[N:41]([H:42])[H:43])([N:11]([H:12])[H:13])[H:21].[H-:2]>>[Br-:1].[C:4](=[C:5](/[N:11]([H:12])[H:13])[H:21])(\[H:31])[N:41]([H:42])[H:43].[H:2][H:3],13.681322880484617
[Br:1][C@:5]([C:4]([H:3])([H:31])[N:41]([H:42])[H:43])([C:11]#[N:12])[N+:21]([O-:22])[O:23].[Cl-:2]>>[Br-:1].[C:4](=[C:5](/[C:11]#[N:12])[N+:21]([O-:22])[O:23])(\[H:31])[N:41]([H:42])[H:43].[Cl:2][H:3],27.37472588020348
[F-:2].[F:1][C@:5]([C:4]([H:3])([H:31])[H:41])([H:11])[C:21]#[N:22]>>[C:4](=[C:5]([H:11])[C:21]#[N:22])([H:31])[H:41].[F-:1].[F:2][H:3],2.534612812020054
[Cl:1][C:5]([C:4]([H:3])([H:31])[N:41]([H:42])[H:43])([H:11])[H:21].[F-:2]>>[C:4](=[C:5]([H:11])[H:21])([H:31])[N:41]([H:42])[H:43].[Cl-:1].[F:2][H:3],21.075403750382247
[Br:1][C@:5]([C@:4]([H:3])([C:31]#[N:32])[C:41]([H:42])([H:43])[H:44])([C:11]#[N:12])[H:21].[Cl-:2]>>[Br-:1].[C:4](=[C:5](/[C:11]#[N:12])[H:21])(\[C:31]#[N:32])[C:41]([H:42])([H:43])[H:44].[Cl:2][H:3],21.28103748465639
[Cl-:2].[Cl:1][C@:5]([C:4]([H:3])([N:31]([H:32])[H:33])[H:41])([C:11]([H:12])([H:13])[H:14])[N+:21]([O-:22])[O:23]>>[C:4](=[C:5](/[C:11]([H:12])([H:13])[H:14])[N+:21]([O-:22])[O:23])(\[N:31]([H:32])[H:33])[H:41].[Cl-:1].[Cl:2][H:3],38.521164512617226
[Br-:2].[Br:1][C@:5]([C:4]([H:3])([N:31]([H:32])[H:33])[N:41]([H:42])[H:43])([H:11])[C:21]#[N:22]>>[Br-:1].[Br:2][H:3].[C:4](=[C:5]([H:11])[C:21]#[N:22])([N:31]([H:32])[H:33])[N:41]([H:42])[H:43],24.29082173447835
[Br:1][C@:5]([C@:4]([H:3])([C:31]([H:32])([H:33])[H:34])[N+:41]([O-:42])[O:43])([C:11]([H:12])([H:13])[H:14])[N:21]([H:22])[H:23].[F-:2]>>[Br-:1].[C:4](=[C:5](/[C:11]([H:12])([H:13])[H:14])[N:21]([H:22])[H:23])(\[C:31]([H:32])([H:33])[H:34])[N+:41]([O-:42])[O:43].[F:2][H:3],3.772199884196265
[Cl:1][C@:5]([C:4]([H:3])([C:31]([H:32])([H:33])[H:34])[H:41])([C:11]([H:12])([H:13])[H:14])[C:21]#[N:22].[H-:2]>>[C:4](=[C:5](/[C:11]([H:12])([H:13])[H:14])[C:21]#[N:22])(\[C:31]([H:32])([H:33])[H:34])[H:41].[Cl-:1].[H:2][H:3],6.297608644338029
[Br:1][C@:5]([C:4]([H:3])([C:31]([H:32])([H:33])[H:34])[C:41]([H:42])([H:43])[H:44])([H:11])[C:21]([H:22])([H:23])[H:24].[F-:2]>>[Br-:1].[C:4](=[C:5]([H:11])[C:21]([H:22])([H:23])[H:24])([C:31]([H:32])([H:33])[H:34])[C:41]([H:42])([H:43])[H:44].[F:2][H:3],13.606227044513007
[Br:1][C@:5]([C@:4]([H:3])([N:31]([H:32])[H:33])[C:41]#[N:42])([C:11]([H:12])([H:13])[H:14])[C:21]#[N:22].[Cl-:2]>>[Br-:1].[C:4](=[C:5](/[C:11]([H:12])([H:13])[H:14])[C:21]#[N:22])(\[N:31]([H:32])[H:33])[C:41]#[N:42].[Cl:2][H:3],24.506325585938303
[Br:1][C@:5]([C:4]([H:3])([H:31])[N:41]([H:42])[H:43])([C:11]#[N:12])[C:21]([H:22])([H:23])[H:24].[F-:2]>>[Br-:1].[C:4](=[C:5](/[C:11]#[N:12])[C:21]([H:22])([H:23])[H:24])(\[H:31])[N:41]([H:42])[H:43].[F:2][H:3],10.784859495551345
[Br:1][C@:5]([C:4]([H:3])([C:31]([H:32])([H:33])[H:34])[H:41])([C:11]([H:12])([H:13])[H:14])[C:21]#[N:22].[H-:2]>>[Br-:1].[C:4](=[C:5](/[C:11]([H:12])([H:13])[H:14])[C:21]#[N:22])(\[C:31]([H:32])([H:33])[H:34])[H:41].[H:2][H:3],5.143070087785519
[Cl-:2].[Cl:1][C@:5]([C:4]([H:3])([C:31]([H:32])([H:33])[H:34])[H:41])([C:11]([H:12])([H:13])[H:14])[C:21]#[N:22]>>[C:4](=[C:5](/[C:11]([H:12])([H:13])[H:14])[C:21]#[N:22])(\[C:31]([H:32])([H:33])[H:34])[H:41].[Cl-:1].[Cl:2][H:3],35.07777556250244
[Br:1][C:5]([C:4]([H:3])([C:31]#[N:32])[H:41])([C:11]([H:12])([H:13])[H:14])[C:21]([H:22])([H:23])[H:24].[Cl-:2]>>[Br-:1].[C:4](=[C:5]([C:11]([H:12])([H:13])[H:14])[C:21]([H:22])([H:23])[H:24])([C:31]#[N:32])[H:41].[Cl:2][H:3],27.21540978583321
[Br-:2].[Cl:1][C@:5]([C:4]([H:3])([N:31]([H:32])[H:33])[N:41]([H:42])[H:43])([H:11])[C:21]#[N:22]>>[Br:2][H:3].[C:4](=[C:5]([H:11])[C:21]#[N:22])([N:31]([H:32])[H:33])[N:41]([H:42])[H:43].[Cl-:1],43.60334169136164
[Cl:1][C@:5]([C:4]([H:3])([H:31])[N:41]([H:42])[H:43])([C:11]#[N:12])[C:21]([H:22])([H:23])[H:24].[F-:2]>>[C:4](=[C:5](/[C:11]#[N:12])[C:21]([H:22])([H:23])[H:24])(\[H:31])[N:41]([H:42])[H:43].[Cl-:1].[F:2][H:3],9.7492251396103
[Br:1][C@:5]([C:4]([H:3])([H:31])[N:41]([H:42])[H:43])([C:11]#[N:12])[N+:21]([O-:22])[O:23].[F-:2]>>[Br-:1].[C:4](=[C:5](/[C:11]#[N:12])[N+:21]([O-:22])[O:23])(\[H:31])[N:41]([H:42])[H:43].[F:2][H:3],10.297843766564196
[Cl:1][C@:5]([C:4]([H:3])([N:31]([H:32])[H:33])[N:41]([H:42])[H:43])([C:11]#[N:12])[C:21]([H:22])([H:23])[H:24].[H-:2]>>[C:4](=[C:5]([C:11]#[N:12])[C:21]([H:22])([H:23])[H:24])([N:31]([H:32])[H:33])[N:41]([H:42])[H:43].[Cl-:1].[H:2][H:3],9.061712419971348
[Cl:1][C:5]([C:4]([H:3])([N:31]([H:32])[H:33])[H:41])([N+:11]([O-:12])[O:13])[N+:21]([O-:22])[O:23].[H-:2]>>[C:4](=[C:5]([N+:11]([O-:12])[O:13])[N+:21]([O-:22])[O:23])([N:31]([H:32])[H:33])[H:41].[Cl-:1].[H:2][H:3],4.460548074382308
[Br-:2].[Cl:1][C@:5]([C:4]([H:3])([N:31]([H:32])[H:33])[N:41]([H:42])[H:43])([C:11]([H:12])([H:13])[H:14])[H:21]>>[Br:2][H:3].[C:4](=[C:5]([C:11]([H:12])([H:13])[H:14])[H:21])([N:31]([H:32])[H:33])[N:41]([H:42])[H:43].[Cl-:1],22.943626633194672
[Cl:1][C@:5]([C:4]([H:3])([C:31]([H:32])([H:33])[H:34])[C:41]([H:42])([H:43])[H:44])([N+:11]([O-:12])[O:13])[H:21].[H-:2]>>[C:4](=[C:5]([N+:11]([O-:12])[O:13])[H:21])([C:31]([H:32])([H:33])[H:34])[C:41]([H:42])([H:43])[H:44].[Cl-:1].[H:2][H:3],5.457271611438474
[Br:1][C@:5]([C@:4]([H:3])([C:31]([H:32])([H:33])[H:34])[N+:41]([O-:42])[O:43])([H:11])[N:21]([H:22])[H:23].[F-:2]>>[Br-:1].[C:4](=[C:5](/[H:11])[N:21]([H:22])[H:23])(\[C:31]([H:32])([H:33])[H:34])[N+:41]([O-:42])[O:43].[F:2][H:3],10.878078238687458
[Cl:1][C@:5]([C:4]([H:3])([N:31]([H:32])[H:33])[H:41])([C:11]#[N:12])[N+:21]([O-:22])[O:23].[H-:2]>>[C:4](=[C:5](/[C:11]#[N:12])[N+:21]([O-:22])[O:23])(\[N:31]([H:32])[H:33])[H:41].[Cl-:1].[H:2][H:3],9.04504836987519
[Cl:1][C@:5]([C:4]([H:3])([N:31]([H:32])[H:33])[H:41])([N+:11]([O-:12])[O:13])[N:21]([H:22])[H:23].[H-:2]>>[C:4](=[C:5](/[N+:11]([O-:12])[O:13])[N:21]([H:22])[H:23])(\[N:31]([H:32])[H:33])[H:41].[Cl-:1].[H:2][H:3],6.655424563806731
[Br:1][C@:5]([C@:4]([H:3])([C:31]#[N:32])[C:41]([H:42])([H:43])[H:44])([N:11]([H:12])[H:13])[C:21]([H:22])([H:23])[H:24].[F-:2]>>[Br-:1].[C:4](=[C:5](/[N:11]([H:12])[H:13])[C:21]([H:22])([H:23])[H:24])(\[C:31]#[N:32])[C:41]([H:42])([H:43])[H:44].[F:2][H:3],4.48425256044877
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[Cl:1][C@:5]([C:4]([H:3])([N:31]([H:32])[H:33])[H:41])([C:11]#[N:12])[N:21]([H:22])[H:23].[F-:2]>>[C:4](=[C:5](/[C:11]#[N:12])[N:21]([H:22])[H:23])(\[N:31]([H:32])[H:33])[H:41].[Cl-:1].[F:2][H:3],18.67997287842392
[Br:1][C@:5]([C@:4]([H:3])([C:31]#[N:32])[C:41]([H:42])([H:43])[H:44])([C:11]([H:12])([H:13])[H:14])[N:21]([H:22])[H:23].[H-:2]>>[Br-:1].[C:4](=[C:5](/[C:11]([H:12])([H:13])[H:14])[N:21]([H:22])[H:23])(\[C:31]#[N:32])[C:41]([H:42])([H:43])[H:44].[H:2][H:3],0.4876123374267505
[Cl-:2].[Cl:1][C@:5]([C:4]([H:3])([N:31]([H:32])[H:33])[H:41])([H:11])[N+:21]([O-:22])[O:23]>>[C:4](=[C:5](/[H:11])[N+:21]([O-:22])[O:23])(\[N:31]([H:32])[H:33])[H:41].[Cl-:1].[Cl:2][H:3],41.52148901750485
[Br:1][C@:5]([C@:4]([H:3])([C:31]#[N:32])[N:41]([H:42])[H:43])([C:11]#[N:12])[H:21].[Cl-:2]>>[Br-:1].[C:4](=[C:5](/[C:11]#[N:12])[H:21])(\[C:31]#[N:32])[N:41]([H:42])[H:43].[Cl:2][H:3],24.69424630092739
[Br-:2].[Cl:1][C@:5]([C:4]([H:3])([N:31]([H:32])[H:33])[H:41])([C:11]#[N:12])[C:21]([H:22])([H:23])[H:24]>>[Br:2][H:3].[C:4](=[C:5](/[C:11]#[N:12])[C:21]([H:22])([H:23])[H:24])(\[N:31]([H:32])[H:33])[H:41].[Cl-:1],30.0845994470653
[Br:1][C@:5]([C:4]([H:3])([C:31]([H:32])([H:33])[H:34])[C:41]([H:42])([H:43])[H:44])([H:11])[N+:21]([O-:22])[O:23].[F-:2]>>[Br-:1].[C:4](=[C:5]([H:11])[N+:21]([O-:22])[O:23])([C:31]([H:32])([H:33])[H:34])[C:41]([H:42])([H:43])[H:44].[F:2][H:3],9.530741323876422
[Br:1][C@:5]([C@:4]([H:3])([C:31]#[N:32])[N:41]([H:42])[H:43])([C:11]#[N:12])[C:21]([H:22])([H:23])[H:24].[Cl-:2]>>[Br-:1].[C:4](=[C:5](/[C:11]#[N:12])[C:21]([H:22])([H:23])[H:24])(\[C:31]#[N:32])[N:41]([H:42])[H:43].[Cl:2][H:3],18.16783883805214
[Br:1][C@:5]([C@:4]([H:3])([C:31]#[N:32])[C:41]([H:42])([H:43])[H:44])([N:11]([H:12])[H:13])[C:21]([H:22])([H:23])[H:24].[H-:2]>>[Br-:1].[C:4](=[C:5](/[N:11]([H:12])[H:13])[C:21]([H:22])([H:23])[H:24])(\[C:31]#[N:32])[C:41]([H:42])([H:43])[H:44].[H:2][H:3],1.4259804937100529
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[Br-:2].[Cl:1][C@:5]([C:4]([H:3])([N:31]([H:32])[H:33])[H:41])([N+:11]([O-:12])[O:13])[H:21]>>[Br:2][H:3].[C:4](=[C:5](/[N+:11]([O-:12])[O:13])[H:21])(\[N:31]([H:32])[H:33])[H:41].[Cl-:1],35.065498815448564
[Br:1][C:5]([C:4]([H:3])([N:31]([H:32])[H:33])[N:41]([H:42])[H:43])([H:11])[H:21].[F-:2]>>[Br-:1].[C:4](=[C:5]([H:11])[H:21])([N:31]([H:32])[H:33])[N:41]([H:42])[H:43].[F:2][H:3],18.280353230304968
[Br:1][C@:5]([C:4]([H:3])([H:31])[C:41]([H:42])([H:43])[H:44])([C:11]([H:12])([H:13])[H:14])[H:21].[F-:2]>>[Br-:1].[C:4](=[C:5](/[C:11]([H:12])([H:13])[H:14])[H:21])(\[H:31])[C:41]([H:42])([H:43])[H:44].[F:2][H:3],11.663049005900168
[Cl:1][C@:5]([C:4]([H:3])([N:31]([H:32])[H:33])[H:41])([N:11]([H:12])[H:13])[N+:21]([O-:22])[O:23].[H-:2]>>[C:4](=[C:5](/[N:11]([H:12])[H:13])[N+:21]([O-:22])[O:23])(\[N:31]([H:32])[H:33])[H:41].[Cl-:1].[H:2][H:3],14.673215425732112
[F:1][C@:5]([C:4]([H:3])([H:31])[N:41]([H:42])[H:43])([H:11])[N+:21]([O-:22])[O:23].[H-:2]>>[C:4](=[C:5](/[H:11])[N+:21]([O-:22])[O:23])(\[H:31])[N:41]([H:42])[H:43].[F-:1].[H:2][H:3],12.438420569911626
[Cl:1][C@:5]([C@:4]([H:3])([N+:31]([O-:32])[O:33])[C:41]([H:42])([H:43])[H:44])([N:11]([H:12])[H:13])[N+:21]([O-:22])[O:23].[H-:2]>>[C:4](=[C:5](/[N:11]([H:12])[H:13])[N+:21]([O-:22])[O:23])(\[N+:31]([O-:32])[O:33])[C:41]([H:42])([H:43])[H:44].[Cl-:1].[H:2][H:3],3.1196364980185485
[Br:1][C@:5]([C:4]([H:3])([N:31]([H:32])[H:33])[N:41]([H:42])[H:43])([C:11]([H:12])([H:13])[H:14])[C:21]#[N:22].[Cl-:2]>>[Br-:1].[C:4](=[C:5]([C:11]([H:12])([H:13])[H:14])[C:21]#[N:22])([N:31]([H:32])[H:33])[N:41]([H:42])[H:43].[Cl:2][H:3],25.56744731677995
[Cl-:2].[Cl:1][C@:5]([C:4]([H:3])([H:31])[N:41]([H:42])[H:43])([N+:11]([O-:12])[O:13])[C:21]([H:22])([H:23])[H:24]>>[C:4](=[C:5](/[N+:11]([O-:12])[O:13])[C:21]([H:22])([H:23])[H:24])(\[H:31])[N:41]([H:42])[H:43].[Cl-:1].[Cl:2][H:3],38.376619368881656
[Cl-:2].[Cl:1][C@:5]([C:4]([H:3])([H:31])[N:41]([H:42])[H:43])([N+:11]([O-:12])[O:13])[N:21]([H:22])[H:23]>>[C:4](=[C:5](/[N+:11]([O-:12])[O:13])[N:21]([H:22])[H:23])(\[H:31])[N:41]([H:42])[H:43].[Cl-:1].[Cl:2][H:3],37.08601078970946
[Br:1][C@:5]([C:4]([H:3])([C:31]([H:32])([H:33])[H:34])[H:41])([N+:11]([O-:12])[O:13])[C:21]#[N:22].[F-:2]>>[Br-:1].[C:4](=[C:5](/[N+:11]([O-:12])[O:13])[C:21]#[N:22])(\[C:31]([H:32])([H:33])[H:34])[H:41].[F:2][H:3],6.31821989161624
[Br:1][C:5]([C@:4]([H:3])([N:31]([H:32])[H:33])[C:41]([H:42])([H:43])[H:44])([C:11]([H:12])([H:13])[H:14])[C:21]([H:22])([H:23])[H:24].[H-:2]>>[Br-:1].[C:4](=[C:5]([C:11]([H:12])([H:13])[H:14])[C:21]([H:22])([H:23])[H:24])([N:31]([H:32])[H:33])[C:41]([H:42])([H:43])[H:44].[H:2][H:3],5.726925277222017
[Br-:2].[Br:1][C@:5]([C:4]([H:3])([H:31])[N:41]([H:42])[H:43])([H:11])[N+:21]([O-:22])[O:23]>>[Br-:1].[Br:2][H:3].[C:4](=[C:5](/[H:11])[N+:21]([O-:22])[O:23])(\[H:31])[N:41]([H:42])[H:43],31.79988837643014
[Br-:2].[Cl:1][C@:5]([C:4]([H:3])([C:31]([H:32])([H:33])[H:34])[H:41])([H:11])[C:21]#[N:22]>>[Br:2][H:3].[C:4](=[C:5](/[H:11])[C:21]#[N:22])(\[C:31]([H:32])([H:33])[H:34])[H:41].[Cl-:1],37.61267140416325
[Cl:1][C@:5]([C:4]([H:3])([C:31]([H:32])([H:33])[H:34])[C:41]([H:42])([H:43])[H:44])([H:11])[C:21]#[N:22].[H-:2]>>[C:4](=[C:5]([H:11])[C:21]#[N:22])([C:31]([H:32])([H:33])[H:34])[C:41]([H:42])([H:43])[H:44].[Cl-:1].[H:2][H:3],9.825086702118549
[F:1][C@:5]([C:4]([H:3])([H:31])[H:41])([H:11])[N:21]([H:22])[H:23].[H-:2]>>[C:4](=[C:5]([H:11])[N:21]([H:22])[H:23])([H:31])[H:41].[F-:1].[H:2][H:3],20.71978089805513
[Cl:1][C@:5]([C:4]([H:3])([N:31]([H:32])[H:33])[H:41])([H:11])[N:21]([H:22])[H:23].[F-:2]>>[C:4](=[C:5](/[H:11])[N:21]([H:22])[H:23])(\[N:31]([H:32])[H:33])[H:41].[Cl-:1].[F:2][H:3],21.901257082315933
[Br-:2].[Cl:1][C@:5]([C@:4]([H:3])([N:31]([H:32])[H:33])[C:41]([H:42])([H:43])[H:44])([C:11]([H:12])([H:13])[H:14])[C:21]#[N:22]>>[Br:2][H:3].[C:4](=[C:5](/[C:11]([H:12])([H:13])[H:14])[C:21]#[N:22])(\[N:31]([H:32])[H:33])[C:41]([H:42])([H:43])[H:44].[Cl-:1],25.627249338105763
[Br:1][C@:5]([C@:4]([H:3])([C:31]([H:32])([H:33])[H:34])[N:41]([H:42])[H:43])([C:11]#[N:12])[N+:21]([O-:22])[O:23].[F-:2]>>[Br-:1].[C:4](=[C:5](/[C:11]#[N:12])[N+:21]([O-:22])[O:23])(\[C:31]([H:32])([H:33])[H:34])[N:41]([H:42])[H:43].[F:2][H:3],8.225993928149924
[Cl:1][C@:5]([C:4]([H:3])([C:31]([H:32])([H:33])[H:34])[H:41])([C:11]([H:12])([H:13])[H:14])[H:21].[F-:2]>>[C:4](=[C:5](/[C:11]([H:12])([H:13])[H:14])[H:21])(\[C:31]([H:32])([H:33])[H:34])[H:41].[Cl-:1].[F:2][H:3],2.475711238017995
[Br-:2].[Cl:1][C@:5]([C:4]([H:3])([N:31]([H:32])[H:33])[H:41])([C:11]([H:12])([H:13])[H:14])[C:21]#[N:22]>>[Br:2][H:3].[C:4](=[C:5](/[C:11]([H:12])([H:13])[H:14])[C:21]#[N:22])(\[N:31]([H:32])[H:33])[H:41].[Cl-:1],40.071034572801935
[Br:1][C:5]([C:4]([H:3])([H:31])[N:41]([H:42])[H:43])([C:11]#[N:12])[C:21]#[N:22].[H-:2]>>[Br-:1].[C:4](=[C:5]([C:11]#[N:12])[C:21]#[N:22])([H:31])[N:41]([H:42])[H:43].[H:2][H:3],2.3814302367543805
[Br-:2].[Br:1][C:5]([C:4]([H:3])([N:31]([H:32])[H:33])[N:41]([H:42])[H:43])([H:11])[H:21]>>[Br-:1].[Br:2][H:3].[C:4](=[C:5]([H:11])[H:21])([N:31]([H:32])[H:33])[N:41]([H:42])[H:43],25.489511556865672
[Cl:1][C@:5]([C:4]([H:3])([H:31])[N:41]([H:42])[H:43])([C:11]#[N:12])[H:21].[F-:2]>>[C:4](=[C:5](/[C:11]#[N:12])[H:21])(\[H:31])[N:41]([H:42])[H:43].[Cl-:1].[F:2][H:3],11.796556586442184
[F:1][C@:5]([C@:4]([H:3])([C:31]([H:32])([H:33])[H:34])[C:41]#[N:42])([H:11])[N:21]([H:22])[H:23].[H-:2]>>[C:4](=[C:5](/[H:11])[N:21]([H:22])[H:23])(\[C:31]([H:32])([H:33])[H:34])[C:41]#[N:42].[F-:1].[H:2][H:3],6.070741723913335
[Br:1][C@:5]([C@:4]([H:3])([C:31]#[N:32])[C:41]([H:42])([H:43])[H:44])([N:11]([H:12])[H:13])[H:21].[F-:2]>>[Br-:1].[C:4](=[C:5](/[N:11]([H:12])[H:13])[H:21])(\[C:31]#[N:32])[C:41]([H:42])([H:43])[H:44].[F:2][H:3],4.18946297666613
[Br:1][C@:5]([C:4]([H:3])([H:31])[C:41]#[N:42])([C:11]#[N:12])[N:21]([H:22])[H:23].[Cl-:2]>>[Br-:1].[C:4](=[C:5](/[C:11]#[N:12])[N:21]([H:22])[H:23])(\[H:31])[C:41]#[N:42].[Cl:2][H:3],24.10963886991324
[Cl-:2].[Cl:1][C@:5]([C@:4]([H:3])([C:31]([H:32])([H:33])[H:34])[N:41]([H:42])[H:43])([C:11]#[N:12])[H:21]>>[C:4](=[C:5](/[C:11]#[N:12])[H:21])(\[C:31]([H:32])([H:33])[H:34])[N:41]([H:42])[H:43].[Cl-:1].[Cl:2][H:3],36.904091023476
[F-:2].[F:1][C:5]([C:4]([H:3])([N:31]([H:32])[H:33])[H:41])([H:11])[H:21]>>[C:4](=[C:5]([H:11])[H:21])([N:31]([H:32])[H:33])[H:41].[F-:1].[F:2][H:3],26.0675872614433
[Cl-:2].[Cl:1][C:5]([C@:4]([H:3])([C:31]#[N:32])[N:41]([H:42])[H:43])([C:11]#[N:12])[C:21]#[N:22]>>[C:4](=[C:5]([C:11]#[N:12])[C:21]#[N:22])([C:31]#[N:32])[N:41]([H:42])[H:43].[Cl-:1].[Cl:2][H:3],25.189727306788143
[Br:1][C@:5]([C@:4]([H:3])([C:31]#[N:32])[N:41]([H:42])[H:43])([C:11]([H:12])([H:13])[H:14])[N:21]([H:22])[H:23].[H-:2]>>[Br-:1].[C:4](=[C:5](/[C:11]([H:12])([H:13])[H:14])[N:21]([H:22])[H:23])(\[C:31]#[N:32])[N:41]([H:42])[H:43].[H:2][H:3],2.9712549028102044
[F:1][C:5]([C:4]([H:3])([C:31]([H:32])([H:33])[H:34])[C:41]([H:42])([H:43])[H:44])([N:11]([H:12])[H:13])[N:21]([H:22])[H:23].[H-:2]>>[C:4](=[C:5]([N:11]([H:12])[H:13])[N:21]([H:22])[H:23])([C:31]([H:32])([H:33])[H:34])[C:41]([H:42])([H:43])[H:44].[F-:1].[H:2][H:3],20.723317694717235
[Cl:1][C@:5]([C:4]([H:3])([H:31])[N:41]([H:42])[H:43])([N+:11]([O-:12])[O:13])[N:21]([H:22])[H:23].[F-:2]>>[C:4](=[C:5](/[N+:11]([O-:12])[O:13])[N:21]([H:22])[H:23])(\[H:31])[N:41]([H:42])[H:43].[Cl-:1].[F:2][H:3],21.23661025664651
[Br:1][C@:5]([C@:4]([H:3])([C:31]([H:32])([H:33])[H:34])[C:41]#[N:42])([N:11]([H:12])[H:13])[N+:21]([O-:22])[O:23].[H-:2]>>[Br-:1].[C:4](=[C:5](/[N:11]([H:12])[H:13])[N+:21]([O-:22])[O:23])(\[C:31]([H:32])([H:33])[H:34])[C:41]#[N:42].[H:2][H:3],0.8751892839053291
[F:1][C@:5]([C:4]([H:3])([N:31]([H:32])[H:33])[N:41]([H:42])[H:43])([N:11]([H:12])[H:13])[C:21]#[N:22].[H-:2]>>[C:4](=[C:5]([N:11]([H:12])[H:13])[C:21]#[N:22])([N:31]([H:32])[H:33])[N:41]([H:42])[H:43].[F-:1].[H:2][H:3],16.990536300363072
[Cl:1][C@:5]([C:4]([H:3])([C:31]([H:32])([H:33])[H:34])[H:41])([C:11]#[N:12])[N+:21]([O-:22])[O:23].[F-:2]>>[C:4](=[C:5](/[C:11]#[N:12])[N+:21]([O-:22])[O:23])(\[C:31]([H:32])([H:33])[H:34])[H:41].[Cl-:1].[F:2][H:3],9.920367338041148
[Cl:1][C@:5]([C@:4]([H:3])([C:31]([H:32])([H:33])[H:34])[N:41]([H:42])[H:43])([C:11]#[N:12])[C:21]([H:22])([H:23])[H:24].[F-:2]>>[C:4](=[C:5](/[C:11]#[N:12])[C:21]([H:22])([H:23])[H:24])(\[C:31]([H:32])([H:33])[H:34])[N:41]([H:42])[H:43].[Cl-:1].[F:2][H:3],14.187310059546338
[Br:1][C@:5]([C:4]([H:3])([N:31]([H:32])[H:33])[N:41]([H:42])[H:43])([N+:11]([O-:12])[O:13])[C:21]#[N:22].[Cl-:2]>>[Br-:1].[C:4](=[C:5]([N+:11]([O-:12])[O:13])[C:21]#[N:22])([N:31]([H:32])[H:33])[N:41]([H:42])[H:43].[Cl:2][H:3],25.422964685174705
[Cl:1][C@:5]([C:4]([H:3])([N:31]([H:32])[H:33])[N:41]([H:42])[H:43])([H:11])[N:21]([H:22])[H:23].[H-:2]>>[C:4](=[C:5]([H:11])[N:21]([H:22])[H:23])([N:31]([H:32])[H:33])[N:41]([H:42])[H:43].[Cl-:1].[H:2][H:3],17.717793653286083
[Cl-:2].[Cl:1][C@:5]([C:4]([H:3])([H:31])[C:41]#[N:42])([C:11]#[N:12])[N:21]([H:22])[H:23]>>[C:4](=[C:5](/[C:11]#[N:12])[N:21]([H:22])[H:23])(\[H:31])[C:41]#[N:42].[Cl-:1].[Cl:2][H:3],29.30565929027448
[Br-:2].[Br:1][C@:5]([C:4]([H:3])([N:31]([H:32])[H:33])[H:41])([N+:11]([O-:12])[O:13])[C:21]#[N:22]>>[Br-:1].[Br:2][H:3].[C:4](=[C:5](/[N+:11]([O-:12])[O:13])[C:21]#[N:22])(\[N:31]([H:32])[H:33])[H:41],20.841881053657968
[F-:2].[F:1][C:5]([C:4]([H:3])([C:31]([H:32])([H:33])[H:34])[H:41])([C:11]#[N:12])[C:21]#[N:22]>>[C:4](=[C:5]([C:11]#[N:12])[C:21]#[N:22])([C:31]([H:32])([H:33])[H:34])[H:41].[F-:1].[F:2][H:3],5.939690993895508
[Cl:1][C@:5]([C:4]([H:3])([N:31]([H:32])[H:33])[H:41])([N+:11]([O-:12])[O:13])[H:21].[H-:2]>>[C:4](=[C:5](/[N+:11]([O-:12])[O:13])[H:21])(\[N:31]([H:32])[H:33])[H:41].[Cl-:1].[H:2][H:3],9.163448027725122
[Br:1][C@:5]([C@:4]([H:3])([C:31]#[N:32])[N:41]([H:42])[H:43])([C:11]#[N:12])[N:21]([H:22])[H:23].[H-:2]>>[Br-:1].[C:4](=[C:5](/[C:11]#[N:12])[N:21]([H:22])[H:23])(\[C:31]#[N:32])[N:41]([H:42])[H:43].[H:2][H:3],2.632232394419671
[Br:1][C@:5]([C:4]([H:3])([N:31]([H:32])[H:33])[H:41])([N:11]([H:12])[H:13])[H:21].[F-:2]>>[Br-:1].[C:4](=[C:5](/[N:11]([H:12])[H:13])[H:21])(\[N:31]([H:32])[H:33])[H:41].[F:2][H:3],14.57706182943764
[F:1][C@:5]([C:4]([H:3])([H:31])[C:41]([H:42])([H:43])[H:44])([C:11]#[N:12])[C:21]([H:22])([H:23])[H:24].[H-:2]>>[C:4](=[C:5](/[C:11]#[N:12])[C:21]([H:22])([H:23])[H:24])(\[H:31])[C:41]([H:42])([H:43])[H:44].[F-:1].[H:2][H:3],9.8727967075799
[F:1][C:5]([C:4]([H:3])([H:31])[N:41]([H:42])[H:43])([N:11]([H:12])[H:13])[N:21]([H:22])[H:23].[H-:2]>>[C:4](=[C:5]([N:11]([H:12])[H:13])[N:21]([H:22])[H:23])([H:31])[N:41]([H:42])[H:43].[F-:1].[H:2][H:3],24.923860448099973
[Cl:1][C@:5]([C@:4]([H:3])([N:31]([H:32])[H:33])[N+:41]([O-:42])[O:43])([C:11]([H:12])([H:13])[H:14])[H:21].[H-:2]>>[C:4](=[C:5](/[C:11]([H:12])([H:13])[H:14])[H:21])(\[N:31]([H:32])[H:33])[N+:41]([O-:42])[O:43].[Cl-:1].[H:2][H:3],2.453272478880796
[Cl-:2].[Cl:1][C@:5]([C@:4]([H:3])([N:31]([H:32])[H:33])[C:41]([H:42])([H:43])[H:44])([C:11]([H:12])([H:13])[H:14])[C:21]#[N:22]>>[C:4](=[C:5](/[C:11]([H:12])([H:13])[H:14])[C:21]#[N:22])(\[N:31]([H:32])[H:33])[C:41]([H:42])([H:43])[H:44].[Cl-:1].[Cl:2][H:3],34.58213933922955
[Cl:1][C@:5]([C:4]([H:3])([N:31]([H:32])[H:33])[H:41])([N:11]([H:12])[H:13])[N+:21]([O-:22])[O:23].[F-:2]>>[C:4](=[C:5](/[N:11]([H:12])[H:13])[N+:21]([O-:22])[O:23])(\[N:31]([H:32])[H:33])[H:41].[Cl-:1].[F:2][H:3],13.497845638080454
[Cl:1][C@:5]([C:4]([H:3])([H:31])[C:41]([H:42])([H:43])[H:44])([C:11]([H:12])([H:13])[H:14])[N+:21]([O-:22])[O:23].[F-:2]>>[C:4](=[C:5](/[C:11]([H:12])([H:13])[H:14])[N+:21]([O-:22])[O:23])(\[H:31])[C:41]([H:42])([H:43])[H:44].[Cl-:1].[F:2][H:3],8.638846902938898
[Cl:1][C@:5]([C:4]([H:3])([C:31]([H:32])([H:33])[H:34])[H:41])([H:11])[C:21]([H:22])([H:23])[H:24].[H-:2]>>[C:4](=[C:5](/[H:11])[C:21]([H:22])([H:23])[H:24])(\[C:31]([H:32])([H:33])[H:34])[H:41].[Cl-:1].[H:2][H:3],13.533254135393396
[Br:1][C:5]([C:4]([H:3])([N:31]([H:32])[H:33])[H:41])([C:11]([H:12])([H:13])[H:14])[C:21]([H:22])([H:23])[H:24].[Cl-:2]>>[Br-:1].[C:4](=[C:5]([C:11]([H:12])([H:13])[H:14])[C:21]([H:22])([H:23])[H:24])([N:31]([H:32])[H:33])[H:41].[Cl:2][H:3],30.389689327154628
[Br:1][C@:5]([C:4]([H:3])([C:31]([H:32])([H:33])[H:34])[H:41])([H:11])[N:21]([H:22])[H:23].[H-:2]>>[Br-:1].[C:4](=[C:5](/[H:11])[N:21]([H:22])[H:23])(\[C:31]([H:32])([H:33])[H:34])[H:41].[H:2][H:3],10.657875588793509
[Br-:2].[Cl:1][C@:5]([C:4]([H:3])([N:31]([H:32])[H:33])[N:41]([H:42])[H:43])([H:11])[N+:21]([O-:22])[O:23]>>[Br:2][H:3].[C:4](=[C:5]([H:11])[N+:21]([O-:22])[O:23])([N:31]([H:32])[H:33])[N:41]([H:42])[H:43].[Cl-:1],28.27346794029664
[Cl:1][C@:5]([C@:4]([H:3])([C:31]([H:32])([H:33])[H:34])[N:41]([H:42])[H:43])([C:11]([H:12])([H:13])[H:14])[N+:21]([O-:22])[O:23].[H-:2]>>[C:4](=[C:5](/[C:11]([H:12])([H:13])[H:14])[N+:21]([O-:22])[O:23])(\[C:31]([H:32])([H:33])[H:34])[N:41]([H:42])[H:43].[Cl-:1].[H:2][H:3],4.985163000802839
[Cl:1][C@:5]([C:4]([H:3])([H:31])[N+:41]([O-:42])[O:43])([N:11]([H:12])[H:13])[H:21].[H-:2]>>[C:4](=[C:5](/[N:11]([H:12])[H:13])[H:21])(\[H:31])[N+:41]([O-:42])[O:43].[Cl-:1].[H:2][H:3],3.2518976111432334
[Cl:1][C@:5]([C:4]([H:3])([C:31]([H:32])([H:33])[H:34])[H:41])([H:11])[N+:21]([O-:22])[O:23].[H-:2]>>[C:4](=[C:5](/[H:11])[N+:21]([O-:22])[O:23])(\[C:31]([H:32])([H:33])[H:34])[H:41].[Cl-:1].[H:2][H:3],8.649924066827822
[Br-:2].[Cl:1][C@:5]([C:4]([H:3])([H:31])[N:41]([H:42])[H:43])([C:11]([H:12])([H:13])[H:14])[H:21]>>[Br:2][H:3].[C:4](=[C:5](/[C:11]([H:12])([H:13])[H:14])[H:21])(\[H:31])[N:41]([H:42])[H:43].[Cl-:1],30.32672310942053
[Br-:2].[Cl:1][C:5]([C@:4]([H:3])([N:31]([H:32])[H:33])[C:41]([H:42])([H:43])[H:44])([C:11]#[N:12])[C:21]#[N:22]>>[Br:2][H:3].[C:4](=[C:5]([C:11]#[N:12])[C:21]#[N:22])([N:31]([H:32])[H:33])[C:41]([H:42])([H:43])[H:44].[Cl-:1],24.911205010720955
[Br:1][C@:5]([C:4]([H:3])([H:31])[C:41]#[N:42])([N:11]([H:12])[H:13])[H:21].[F-:2]>>[Br-:1].[C:4](=[C:5](/[N:11]([H:12])[H:13])[H:21])(\[H:31])[C:41]#[N:42].[F:2][H:3],8.394210770620404
[Cl:1][C@:5]([C:4]([H:3])([H:31])[N:41]([H:42])[H:43])([H:11])[C:21]#[N:22].[H-:2]>>[C:4](=[C:5](/[H:11])[C:21]#[N:22])(\[H:31])[N:41]([H:42])[H:43].[Cl-:1].[H:2][H:3],13.53682477557649
[Cl:1][C@:5]([C:4]([H:3])([C:31]([H:32])([H:33])[H:34])[H:41])([H:11])[N+:21]([O-:22])[O:23].[F-:2]>>[C:4](=[C:5](/[H:11])[N+:21]([O-:22])[O:23])(\[C:31]([H:32])([H:33])[H:34])[H:41].[Cl-:1].[F:2][H:3],13.969633494189608
[Cl:1][C@:5]([C@:4]([H:3])([N:31]([H:32])[H:33])[C:41]([H:42])([H:43])[H:44])([C:11]#[N:12])[C:21]([H:22])([H:23])[H:24].[H-:2]>>[C:4](=[C:5](/[C:11]#[N:12])[C:21]([H:22])([H:23])[H:24])(\[N:31]([H:32])[H:33])[C:41]([H:42])([H:43])[H:44].[Cl-:1].[H:2][H:3],10.589309714958167
[F:1][C@:5]([C:4]([H:3])([H:31])[C:41]([H:42])([H:43])[H:44])([C:11]#[N:12])[N:21]([H:22])[H:23].[H-:2]>>[C:4](=[C:5](/[C:11]#[N:12])[N:21]([H:22])[H:23])(\[H:31])[C:41]([H:42])([H:43])[H:44].[F-:1].[H:2][H:3],16.722729856125515
[F:1][C:5]([C@:4]([H:3])([C:31]([H:32])([H:33])[H:34])[N:41]([H:42])[H:43])([C:11]([H:12])([H:13])[H:14])[C:21]([H:22])([H:23])[H:24].[H-:2]>>[C:4](=[C:5]([C:11]([H:12])([H:13])[H:14])[C:21]([H:22])([H:23])[H:24])([C:31]([H:32])([H:33])[H:34])[N:41]([H:42])[H:43].[F-:1].[H:2][H:3],8.47825011636662
[Br:1][C@:5]([C:4]([H:3])([N:31]([H:32])[H:33])[N:41]([H:42])[H:43])([H:11])[N+:21]([O-:22])[O:23].[Cl-:2]>>[Br-:1].[C:4](=[C:5]([H:11])[N+:21]([O-:22])[O:23])([N:31]([H:32])[H:33])[N:41]([H:42])[H:43].[Cl:2][H:3],31.24739615887492
[Cl:1][C@:5]([C@:4]([H:3])([C:31]([H:32])([H:33])[H:34])[N:41]([H:42])[H:43])([N:11]([H:12])[H:13])[N+:21]([O-:22])[O:23].[F-:2]>>[C:4](=[C:5](/[N:11]([H:12])[H:13])[N+:21]([O-:22])[O:23])(\[C:31]([H:32])([H:33])[H:34])[N:41]([H:42])[H:43].[Cl-:1].[F:2][H:3],27.55154929187912
[F:1][C:5]([C:4]([H:3])([N:31]([H:32])[H:33])[N:41]([H:42])[H:43])([C:11]#[N:12])[C:21]#[N:22].[H-:2]>>[C:4](=[C:5]([C:11]#[N:12])[C:21]#[N:22])([N:31]([H:32])[H:33])[N:41]([H:42])[H:43].[F-:1].[H:2][H:3],5.369885601530125
[Br:1][C@:5]([C@:4]([H:3])([N:31]([H:32])[H:33])[C:41]#[N:42])([N:11]([H:12])[H:13])[H:21].[H-:2]>>[Br-:1].[C:4](=[C:5](/[N:11]([H:12])[H:13])[H:21])(\[N:31]([H:32])[H:33])[C:41]#[N:42].[H:2][H:3],0.3917987237414122
[Cl:1][C@:5]([C:4]([H:3])([N:31]([H:32])[H:33])[H:41])([N+:11]([O-:12])[O:13])[H:21].[F-:2]>>[C:4](=[C:5](/[N+:11]([O-:12])[O:13])[H:21])(\[N:31]([H:32])[H:33])[H:41].[Cl-:1].[F:2][H:3],11.009460345624532
[Cl:1][C:5]([C@:4]([H:3])([C:31]([H:32])([H:33])[H:34])[C:41]#[N:42])([N:11]([H:12])[H:13])[N:21]([H:22])[H:23].[H-:2]>>[C:4](=[C:5]([N:11]([H:12])[H:13])[N:21]([H:22])[H:23])([C:31]([H:32])([H:33])[H:34])[C:41]#[N:42].[Cl-:1].[H:2][H:3],4.280064915849619
[Br:1][C@:5]([C:4]([H:3])([N:31]([H:32])[H:33])[H:41])([C:11]#[N:12])[H:21].[H-:2]>>[Br-:1].[C:4](=[C:5](/[C:11]#[N:12])[H:21])(\[N:31]([H:32])[H:33])[H:41].[H:2][H:3],9.682281685166712
[Cl:1][C@:5]([C@:4]([H:3])([N:31]([H:32])[H:33])[C:41]#[N:42])([N:11]([H:12])[H:13])[C:21]([H:22])([H:23])[H:24].[H-:2]>>[C:4](=[C:5](/[N:11]([H:12])[H:13])[C:21]([H:22])([H:23])[H:24])(\[N:31]([H:32])[H:33])[C:41]#[N:42].[Cl-:1].[H:2][H:3],3.180461101662938
[Br:1][C@:5]([C@:4]([H:3])([N:31]([H:32])[H:33])[C:41]#[N:42])([H:11])[N:21]([H:22])[H:23].[F-:2]>>[Br-:1].[C:4](=[C:5](/[H:11])[N:21]([H:22])[H:23])(\[N:31]([H:32])[H:33])[C:41]#[N:42].[F:2][H:3],13.154228663770995
[Cl:1][C@:5]([C:4]([H:3])([C:31]([H:32])([H:33])[H:34])[C:41]([H:42])([H:43])[H:44])([H:11])[N:21]([H:22])[H:23].[F-:2]>>[C:4](=[C:5]([H:11])[N:21]([H:22])[H:23])([C:31]([H:32])([H:33])[H:34])[C:41]([H:42])([H:43])[H:44].[Cl-:1].[F:2][H:3],22.56484952088169
[F:1][C@:5]([C@:4]([H:3])([C:31]([H:32])([H:33])[H:34])[N:41]([H:42])[H:43])([C:11]([H:12])([H:13])[H:14])[N+:21]([O-:22])[O:23].[H-:2]>>[C:4](=[C:5](/[C:11]([H:12])([H:13])[H:14])[N+:21]([O-:22])[O:23])(\[C:31]([H:32])([H:33])[H:34])[N:41]([H:42])[H:43].[F-:1].[H:2][H:3],6.763231771445127
[F-:2].[F:1][C:5]([C:4]([H:3])([H:31])[N:41]([H:42])[H:43])([C:11]([H:12])([H:13])[H:14])[C:21]([H:22])([H:23])[H:24]>>[C:4](=[C:5]([C:11]([H:12])([H:13])[H:14])[C:21]([H:22])([H:23])[H:24])([H:31])[N:41]([H:42])[H:43].[F-:1].[F:2][H:3],11.322061540362483
[Cl:1][C@:5]([C:4]([H:3])([H:31])[C:41]([H:42])([H:43])[H:44])([C:11]([H:12])([H:13])[H:14])[C:21]#[N:22].[H-:2]>>[C:4](=[C:5](/[C:11]([H:12])([H:13])[H:14])[C:21]#[N:22])(\[H:31])[C:41]([H:42])([H:43])[H:44].[Cl-:1].[H:2][H:3],6.072736827891268
[F:1][C@:5]([C:4]([H:3])([N:31]([H:32])[H:33])[H:41])([N:11]([H:12])[H:13])[H:21].[H-:2]>>[C:4](=[C:5](/[N:11]([H:12])[H:13])[H:21])(\[N:31]([H:32])[H:33])[H:41].[F-:1].[H:2][H:3],20.9706012189832
[Cl:1][C@:5]([C@:4]([H:3])([C:31]#[N:32])[N:41]([H:42])[H:43])([N:11]([H:12])[H:13])[H:21].[H-:2]>>[C:4](=[C:5](/[N:11]([H:12])[H:13])[H:21])(\[C:31]#[N:32])[N:41]([H:42])[H:43].[Cl-:1].[H:2][H:3],2.8221356785143343
[Br:1][C@:5]([C:4]([H:3])([H:31])[N:41]([H:42])[H:43])([H:11])[N:21]([H:22])[H:23].[H-:2]>>[Br-:1].[C:4](=[C:5](/[H:11])[N:21]([H:22])[H:23])(\[H:31])[N:41]([H:42])[H:43].[H:2][H:3],25.165550300565982
[Br:1][C:5]([C@:4]([H:3])([N:31]([H:32])[H:33])[C:41]#[N:42])([C:11]#[N:12])[C:21]#[N:22].[H-:2]>>[Br-:1].[C:4](=[C:5]([C:11]#[N:12])[C:21]#[N:22])([N:31]([H:32])[H:33])[C:41]#[N:42].[H:2][H:3],3.902981766928456
[F:1][C@:5]([C:4]([H:3])([N:31]([H:32])[H:33])[N:41]([H:42])[H:43])([C:11]#[N:12])[N:21]([H:22])[H:23].[H-:2]>>[C:4](=[C:5]([C:11]#[N:12])[N:21]([H:22])[H:23])([N:31]([H:32])[H:33])[N:41]([H:42])[H:43].[F-:1].[H:2][H:3],15.776078202114704
[Cl:1][C:5]([C:4]([H:3])([C:31]([H:32])([H:33])[H:34])[H:41])([C:11]#[N:12])[C:21]#[N:22].[H-:2]>>[C:4](=[C:5]([C:11]#[N:12])[C:21]#[N:22])([C:31]([H:32])([H:33])[H:34])[H:41].[Cl-:1].[H:2][H:3],5.622291268310018
[F:1][C@:5]([C@:4]([H:3])([N+:31]([O-:32])[O:33])[N:41]([H:42])[H:43])([N:11]([H:12])[H:13])[C:21]#[N:22].[H-:2]>>[C:4](=[C:5](/[N:11]([H:12])[H:13])[C:21]#[N:22])(\[N+:31]([O-:32])[O:33])[N:41]([H:42])[H:43].[F-:1].[H:2][H:3],2.7875220519274126
[F:1][C@:5]([C:4]([H:3])([H:31])[C:41]([H:42])([H:43])[H:44])([C:11]([H:12])([H:13])[H:14])[H:21].[H-:2]>>[C:4](=[C:5](/[C:11]([H:12])([H:13])[H:14])[H:21])(\[H:31])[C:41]([H:42])([H:43])[H:44].[F-:1].[H:2][H:3],13.011624920286009
[Cl-:2].[Cl:1][C:5]([C:4]([H:3])([H:31])[H:41])([H:11])[C:21]([H:22])([H:23])[H:24]>>[C:4](=[C:5]([H:11])[C:21]([H:22])([H:23])[H:24])([H:31])[H:41].[Cl-:1].[Cl:2][H:3],44.283328505694726
[Br:1][C@:5]([C:4]([H:3])([H:31])[N:41]([H:42])[H:43])([C:11]#[N:12])[H:21].[H-:2]>>[Br-:1].[C:4](=[C:5](/[C:11]#[N:12])[H:21])(\[H:31])[N:41]([H:42])[H:43].[H:2][H:3],10.044180252866887
[Br:1][C@:5]([C:4]([H:3])([N:31]([H:32])[H:33])[N:41]([H:42])[H:43])([C:11]#[N:12])[H:21].[F-:2]>>[Br-:1].[C:4](=[C:5]([C:11]#[N:12])[H:21])([N:31]([H:32])[H:33])[N:41]([H:42])[H:43].[F:2][H:3],12.774896912782744
[Br-:2].[Br:1][C:5]([C:4]([H:3])([H:31])[N:41]([H:42])[H:43])([H:11])[H:21]>>[Br-:1].[Br:2][H:3].[C:4](=[C:5]([H:11])[H:21])([H:31])[N:41]([H:42])[H:43],36.13087561757512
[Cl:1][C:5]([C@:4]([H:3])([C:31]#[N:32])[N:41]([H:42])[H:43])([H:11])[H:21].[F-:2]>>[C:4](=[C:5]([H:11])[H:21])([C:31]#[N:32])[N:41]([H:42])[H:43].[Cl-:1].[F:2][H:3],11.123549052376395
[Br:1][C@:5]([C@:4]([H:3])([C:31]([H:32])([H:33])[H:34])[N:41]([H:42])[H:43])([N+:11]([O-:12])[O:13])[C:21]#[N:22].[Cl-:2]>>[Br-:1].[C:4](=[C:5](/[N+:11]([O-:12])[O:13])[C:21]#[N:22])(\[C:31]([H:32])([H:33])[H:34])[N:41]([H:42])[H:43].[Cl:2][H:3],21.52363911562852
[Br:1][C:5]([C:4]([H:3])([N:31]([H:32])[H:33])[H:41])([H:11])[H:21].[H-:2]>>[Br-:1].[C:4](=[C:5]([H:11])[H:21])([N:31]([H:32])[H:33])[H:41].[H:2][H:3],13.07533402564624
[F:1][C@:5]([C@:4]([H:3])([N:31]([H:32])[H:33])[C:41]([H:42])([H:43])[H:44])([C:11]([H:12])([H:13])[H:14])[N:21]([H:22])[H:23].[H-:2]>>[C:4](=[C:5](/[C:11]([H:12])([H:13])[H:14])[N:21]([H:22])[H:23])(\[N:31]([H:32])[H:33])[C:41]([H:42])([H:43])[H:44].[F-:1].[H:2][H:3],20.15243892007557
[F-:2].[F:1][C@:5]([C:4]([H:3])([C:31]#[N:32])[H:41])([C:11]#[N:12])[N:21]([H:22])[H:23]>>[C:4](=[C:5](/[C:11]#[N:12])[N:21]([H:22])[H:23])(\[C:31]#[N:32])[H:41].[F-:1].[F:2][H:3],5.329068463664063
[Cl:1][C@:5]([C@:4]([H:3])([C:31]([H:32])([H:33])[H:34])[N:41]([H:42])[H:43])([H:11])[N:21]([H:22])[H:23].[F-:2]>>[C:4](=[C:5](/[H:11])[N:21]([H:22])[H:23])(\[C:31]([H:32])([H:33])[H:34])[N:41]([H:42])[H:43].[Cl-:1].[F:2][H:3],30.70368262392896
[Cl:1][C:5]([C:4]([H:3])([N:31]([H:32])[H:33])[N:41]([H:42])[H:43])([C:11]([H:12])([H:13])[H:14])[C:21]([H:22])([H:23])[H:24].[H-:2]>>[C:4](=[C:5]([C:11]([H:12])([H:13])[H:14])[C:21]([H:22])([H:23])[H:24])([N:31]([H:32])[H:33])[N:41]([H:42])[H:43].[Cl-:1].[H:2][H:3],11.5366508116642
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[Br:1][C@:5]([C:4]([H:3])([H:31])[N:41]([H:42])[H:43])([C:11]([H:12])([H:13])[H:14])[N+:21]([O-:22])[O:23].[F-:2]>>[Br-:1].[C:4](=[C:5](/[C:11]([H:12])([H:13])[H:14])[N+:21]([O-:22])[O:23])(\[H:31])[N:41]([H:42])[H:43].[F:2][H:3],10.926570277948866
[Br:1][C@:5]([C@:4]([H:3])([C:31]([H:32])([H:33])[H:34])[N:41]([H:42])[H:43])([H:11])[C:21]([H:22])([H:23])[H:24].[H-:2]>>[Br-:1].[C:4](=[C:5](/[H:11])[C:21]([H:22])([H:23])[H:24])(\[C:31]([H:32])([H:33])[H:34])[N:41]([H:42])[H:43].[H:2][H:3],11.66458453342796
[Br:1][C:5]([C@:4]([H:3])([C:31]#[N:32])[N:41]([H:42])[H:43])([C:11]([H:12])([H:13])[H:14])[C:21]([H:22])([H:23])[H:24].[F-:2]>>[Br-:1].[C:4](=[C:5]([C:11]([H:12])([H:13])[H:14])[C:21]([H:22])([H:23])[H:24])([C:31]#[N:32])[N:41]([H:42])[H:43].[F:2][H:3],0.1431215601626529
[Cl:1][C@:5]([C:4]([H:3])([C:31]([H:32])([H:33])[H:34])[H:41])([N:11]([H:12])[H:13])[N+:21]([O-:22])[O:23].[H-:2]>>[C:4](=[C:5](/[N:11]([H:12])[H:13])[N+:21]([O-:22])[O:23])(\[C:31]([H:32])([H:33])[H:34])[H:41].[Cl-:1].[H:2][H:3],10.606396398557528
[Br-:2].[Cl:1][C@:5]([C:4]([H:3])([N:31]([H:32])[H:33])[N:41]([H:42])[H:43])([N+:11]([O-:12])[O:13])[H:21]>>[Br:2][H:3].[C:4](=[C:5]([N+:11]([O-:12])[O:13])[H:21])([N:31]([H:32])[H:33])[N:41]([H:42])[H:43].[Cl-:1],27.34235358638637
[Br:1][C@:5]([C@:4]([H:3])([N:31]([H:32])[H:33])[C:41]#[N:42])([N:11]([H:12])[H:13])[N+:21]([O-:22])[O:23].[H-:2]>>[Br-:1].[C:4](=[C:5](/[N:11]([H:12])[H:13])[N+:21]([O-:22])[O:23])(\[N:31]([H:32])[H:33])[C:41]#[N:42].[H:2][H:3],0.8183558077350026
[Cl:1][C@:5]([C@:4]([H:3])([C:31]#[N:32])[N:41]([H:42])[H:43])([C:11]([H:12])([H:13])[H:14])[N:21]([H:22])[H:23].[H-:2]>>[C:4](=[C:5](/[C:11]([H:12])([H:13])[H:14])[N:21]([H:22])[H:23])(\[C:31]#[N:32])[N:41]([H:42])[H:43].[Cl-:1].[H:2][H:3],6.115813454220211
[Cl:1][C@:5]([C@:4]([H:3])([C:31]([H:32])([H:33])[H:34])[C:41]#[N:42])([H:11])[N:21]([H:22])[H:23].[F-:2]>>[C:4](=[C:5](/[H:11])[N:21]([H:22])[H:23])(\[C:31]([H:32])([H:33])[H:34])[C:41]#[N:42].[Cl-:1].[F:2][H:3],11.42488715869258
[Cl-:2].[Cl:1][C@:5]([C:4]([H:3])([N:31]([H:32])[H:33])[H:41])([N+:11]([O-:12])[O:13])[C:21]#[N:22]>>[C:4](=[C:5](/[N+:11]([O-:12])[O:13])[C:21]#[N:22])(\[N:31]([H:32])[H:33])[H:41].[Cl-:1].[Cl:2][H:3],34.50125134547059
[Cl:1][C@:5]([C@:4]([H:3])([C:31]#[N:32])[C:41]([H:42])([H:43])[H:44])([C:11]#[N:12])[N:21]([H:22])[H:23].[F-:2]>>[C:4](=[C:5](/[C:11]#[N:12])[N:21]([H:22])[H:23])(\[C:31]#[N:32])[C:41]([H:42])([H:43])[H:44].[Cl-:1].[F:2][H:3],2.601924294231081
[F:1][C@:5]([C:4]([H:3])([N:31]([H:32])[H:33])[N:41]([H:42])[H:43])([N:11]([H:12])[H:13])[C:21]([H:22])([H:23])[H:24].[H-:2]>>[C:4](=[C:5]([N:11]([H:12])[H:13])[C:21]([H:22])([H:23])[H:24])([N:31]([H:32])[H:33])[N:41]([H:42])[H:43].[F-:1].[H:2][H:3],16.86265392572024
[Cl-:2].[Cl:1][C@:5]([C:4]([H:3])([N:31]([H:32])[H:33])[H:41])([C:11]([H:12])([H:13])[H:14])[H:21]>>[C:4](=[C:5](/[C:11]([H:12])([H:13])[H:14])[H:21])(\[N:31]([H:32])[H:33])[H:41].[Cl-:1].[Cl:2][H:3],40.36094740711639
[Br:1][C:5]([C@:4]([H:3])([C:31]([H:32])([H:33])[H:34])[N:41]([H:42])[H:43])([C:11]([H:12])([H:13])[H:14])[C:21]([H:22])([H:23])[H:24].[Cl-:2]>>[Br-:1].[C:4](=[C:5]([C:11]([H:12])([H:13])[H:14])[C:21]([H:22])([H:23])[H:24])([C:31]([H:32])([H:33])[H:34])[N:41]([H:42])[H:43].[Cl:2][H:3],23.635577478643
[Br-:2].[Cl:1][C@:5]([C@:4]([H:3])([C:31]([H:32])([H:33])[H:34])[N:41]([H:42])[H:43])([C:11]([H:12])([H:13])[H:14])[C:21]#[N:22]>>[Br:2][H:3].[C:4](=[C:5](/[C:11]([H:12])([H:13])[H:14])[C:21]#[N:22])(\[C:31]([H:32])([H:33])[H:34])[N:41]([H:42])[H:43].[Cl-:1],36.73932351793509
[Br:1][C@:5]([C@:4]([H:3])([N:31]([H:32])[H:33])[C:41]([H:42])([H:43])[H:44])([C:11]#[N:12])[H:21].[H-:2]>>[Br-:1].[C:4](=[C:5](/[C:11]#[N:12])[H:21])(\[N:31]([H:32])[H:33])[C:41]([H:42])([H:43])[H:44].[H:2][H:3],9.480961763706109
[F:1][C@:5]([C@:4]([H:3])([N:31]([H:32])[H:33])[C:41]([H:42])([H:43])[H:44])([N:11]([H:12])[H:13])[H:21].[H-:2]>>[C:4](=[C:5](/[N:11]([H:12])[H:13])[H:21])(\[N:31]([H:32])[H:33])[C:41]([H:42])([H:43])[H:44].[F-:1].[H:2][H:3],22.44850482284233
[Cl:1][C@:5]([C@:4]([H:3])([N:31]([H:32])[H:33])[C:41]([H:42])([H:43])[H:44])([C:11]([H:12])([H:13])[H:14])[N:21]([H:22])[H:23].[H-:2]>>[C:4](=[C:5](/[C:11]([H:12])([H:13])[H:14])[N:21]([H:22])[H:23])(\[N:31]([H:32])[H:33])[C:41]([H:42])([H:43])[H:44].[Cl-:1].[H:2][H:3],7.772045573234108
[Cl:1][C@:5]([C:4]([H:3])([H:31])[H:41])([N+:11]([O-:12])[O:13])[N:21]([H:22])[H:23].[H-:2]>>[C:4](=[C:5]([N+:11]([O-:12])[O:13])[N:21]([H:22])[H:23])([H:31])[H:41].[Cl-:1].[H:2][H:3],12.47361489324964
[Br:1][C@:5]([C:4]([H:3])([H:31])[N:41]([H:42])[H:43])([N+:11]([O-:12])[O:13])[H:21].[F-:2]>>[Br-:1].[C:4](=[C:5](/[N+:11]([O-:12])[O:13])[H:21])(\[H:31])[N:41]([H:42])[H:43].[F:2][H:3],16.0808097280918
[Br:1][C:5]([C:4]([H:3])([H:31])[C:41]([H:42])([H:43])[H:44])([H:11])[H:21].[H-:2]>>[Br-:1].[C:4](=[C:5]([H:11])[H:21])([H:31])[C:41]([H:42])([H:43])[H:44].[H:2][H:3],13.624195436388224
[F:1][C@:5]([C@:4]([H:3])([C:31]([H:32])([H:33])[H:34])[C:41]#[N:42])([N:11]([H:12])[H:13])[C:21]#[N:22].[H-:2]>>[C:4](=[C:5](/[N:11]([H:12])[H:13])[C:21]#[N:22])(\[C:31]([H:32])([H:33])[H:34])[C:41]#[N:42].[F-:1].[H:2][H:3],3.266389836911602
[Cl:1][C:5]([C:4]([H:3])([H:31])[H:41])([N+:11]([O-:12])[O:13])[C:21]([H:22])([H:23])[H:24].[H-:2]>>[C:4](=[C:5]([N+:11]([O-:12])[O:13])[C:21]([H:22])([H:23])[H:24])([H:31])[H:41].[Cl-:1].[H:2][H:3],7.671441157259996
[Cl:1][C@:5]([C:4]([H:3])([C:31]([H:32])([H:33])[H:34])[H:41])([C:11]#[N:12])[N:21]([H:22])[H:23].[F-:2]>>[C:4](=[C:5](/[C:11]#[N:12])[N:21]([H:22])[H:23])(\[C:31]([H:32])([H:33])[H:34])[H:41].[Cl-:1].[F:2][H:3],18.995741099212683
[Cl:1][C@:5]([C@:4]([H:3])([C:31]#[N:32])[N:41]([H:42])[H:43])([N:11]([H:12])[H:13])[C:21]#[N:22].[F-:2]>>[C:4](=[C:5](/[N:11]([H:12])[H:13])[C:21]#[N:22])(\[C:31]#[N:32])[N:41]([H:42])[H:43].[Cl-:1].[F:2][H:3],3.5364951278593413
[F:1][C:5]([C:4]([H:3])([H:31])[C:41]#[N:42])([H:11])[H:21].[H-:2]>>[C:4](=[C:5]([H:11])[H:21])([H:31])[C:41]#[N:42].[F-:1].[H:2][H:3],2.266167877811606
[Cl:1][C@:5]([C@:4]([H:3])([N:31]([H:32])[H:33])[C:41]([H:42])([H:43])[H:44])([H:11])[N+:21]([O-:22])[O:23].[F-:2]>>[C:4](=[C:5](/[H:11])[N+:21]([O-:22])[O:23])(\[N:31]([H:32])[H:33])[C:41]([H:42])([H:43])[H:44].[Cl-:1].[F:2][H:3],15.57699931237936
[Cl:1][C@:5]([C@:4]([H:3])([C:31]#[N:32])[C:41]([H:42])([H:43])[H:44])([N:11]([H:12])[H:13])[C:21]#[N:22].[H-:2]>>[C:4](=[C:5](/[N:11]([H:12])[H:13])[C:21]#[N:22])(\[C:31]#[N:32])[C:41]([H:42])([H:43])[H:44].[Cl-:1].[H:2][H:3],1.544449709612994
[Cl:1][C@:5]([C:4]([H:3])([H:31])[N:41]([H:42])[H:43])([C:11]#[N:12])[C:21]([H:22])([H:23])[H:24].[H-:2]>>[C:4](=[C:5](/[C:11]#[N:12])[C:21]([H:22])([H:23])[H:24])(\[H:31])[N:41]([H:42])[H:43].[Cl-:1].[H:2][H:3],9.655267195963646
[Cl:1][C@:5]([C:4]([H:3])([N:31]([H:32])[H:33])[N:41]([H:42])[H:43])([C:11]#[N:12])[N:21]([H:22])[H:23].[F-:2]>>[C:4](=[C:5]([C:11]#[N:12])[N:21]([H:22])[H:23])([N:31]([H:32])[H:33])[N:41]([H:42])[H:43].[Cl-:1].[F:2][H:3],16.014521154971117
[Br:1][C@:5]([C:4]([H:3])([C:31]#[N:32])[H:41])([N:11]([H:12])[H:13])[H:21].[F-:2]>>[Br-:1].[C:4](=[C:5](/[N:11]([H:12])[H:13])[H:21])(\[C:31]#[N:32])[H:41].[F:2][H:3],5.073068856931544
[Cl:1][C@:5]([C@:4]([H:3])([C:31]#[N:32])[C:41]([H:42])([H:43])[H:44])([N:11]([H:12])[H:13])[H:21].[H-:2]>>[C:4](=[C:5](/[N:11]([H:12])[H:13])[H:21])(\[C:31]#[N:32])[C:41]([H:42])([H:43])[H:44].[Cl-:1].[H:2][H:3],1.217137703237026
[Br:1][C@:5]([C:4]([H:3])([C:31]([H:32])([H:33])[H:34])[C:41]([H:42])([H:43])[H:44])([H:11])[N+:21]([O-:22])[O:23].[Cl-:2]>>[Br-:1].[C:4](=[C:5]([H:11])[N+:21]([O-:22])[O:23])([C:31]([H:32])([H:33])[H:34])[C:41]([H:42])([H:43])[H:44].[Cl:2][H:3],25.78755888654428
[Cl:1][C@:5]([C:4]([H:3])([C:31]([H:32])([H:33])[H:34])[H:41])([N:11]([H:12])[H:13])[C:21]#[N:22].[H-:2]>>[C:4](=[C:5](/[N:11]([H:12])[H:13])[C:21]#[N:22])(\[C:31]([H:32])([H:33])[H:34])[H:41].[Cl-:1].[H:2][H:3],9.596966299810529
[F:1][C:5]([C@:4]([H:3])([C:31]([H:32])([H:33])[H:34])[N:41]([H:42])[H:43])([H:11])[H:21].[H-:2]>>[C:4](=[C:5]([H:11])[H:21])([C:31]([H:32])([H:33])[H:34])[N:41]([H:42])[H:43].[F-:1].[H:2][H:3],18.16579791154529
[Cl-:2].[Cl:1][C@:5]([C@:4]([H:3])([C:31]#[N:32])[C:41]([H:42])([H:43])[H:44])([C:11]#[N:12])[N:21]([H:22])[H:23]>>[C:4](=[C:5](/[C:11]#[N:12])[N:21]([H:22])[H:23])(\[C:31]#[N:32])[C:41]([H:42])([H:43])[H:44].[Cl-:1].[Cl:2][H:3],25.050544036896344
[Br:1][C@:5]([C:4]([H:3])([N:31]([H:32])[H:33])[H:41])([C:11]([H:12])([H:13])[H:14])[N:21]([H:22])[H:23].[H-:2]>>[Br-:1].[C:4](=[C:5](/[C:11]([H:12])([H:13])[H:14])[N:21]([H:22])[H:23])(\[N:31]([H:32])[H:33])[H:41].[H:2][H:3],8.190817015081805
[Cl-:2].[Cl:1][C@:5]([C:4]([H:3])([C:31]([H:32])([H:33])[H:34])[H:41])([C:11]#[N:12])[C:21]([H:22])([H:23])[H:24]>>[C:4](=[C:5](/[C:11]#[N:12])[C:21]([H:22])([H:23])[H:24])(\[C:31]([H:32])([H:33])[H:34])[H:41].[Cl-:1].[Cl:2][H:3],35.506533952688635
[Br:1][C@:5]([C@:4]([H:3])([C:31]([H:32])([H:33])[H:34])[N:41]([H:42])[H:43])([N:11]([H:12])[H:13])[C:21]#[N:22].[F-:2]>>[Br-:1].[C:4](=[C:5](/[N:11]([H:12])[H:13])[C:21]#[N:22])(\[C:31]([H:32])([H:33])[H:34])[N:41]([H:42])[H:43].[F:2][H:3],17.199360615773724
[Cl:1][C@:5]([C@:4]([H:3])([C:31]([H:32])([H:33])[H:34])[N:41]([H:42])[H:43])([N+:11]([O-:12])[O:13])[H:21].[F-:2]>>[C:4](=[C:5](/[N+:11]([O-:12])[O:13])[H:21])(\[C:31]([H:32])([H:33])[H:34])[N:41]([H:42])[H:43].[Cl-:1].[F:2][H:3],16.208372163756604
[Br:1][C@:5]([C@:4]([H:3])([N:31]([H:32])[H:33])[C:41]([H:42])([H:43])[H:44])([N:11]([H:12])[H:13])[H:21].[F-:2]>>[Br-:1].[C:4](=[C:5](/[N:11]([H:12])[H:13])[H:21])(\[N:31]([H:32])[H:33])[C:41]([H:42])([H:43])[H:44].[F:2][H:3],11.064298499946352
[F:1][C@:5]([C:4]([H:3])([H:31])[C:41]#[N:42])([N+:11]([O-:12])[O:13])[H:21].[H-:2]>>[C:4](=[C:5](/[N+:11]([O-:12])[O:13])[H:21])(\[H:31])[C:41]#[N:42].[F-:1].[H:2][H:3],1.30199642358002
[Br:1][C@:5]([C@:4]([H:3])([N+:31]([O-:32])[O:33])[C:41]([H:42])([H:43])[H:44])([N:11]([H:12])[H:13])[H:21].[F-:2]>>[Br-:1].[C:4](=[C:5](/[N:11]([H:12])[H:13])[H:21])(\[N+:31]([O-:32])[O:33])[C:41]([H:42])([H:43])[H:44].[F:2][H:3],1.967258063480616
[Cl-:2].[Cl:1][C@:5]([C@:4]([H:3])([C:31]([H:32])([H:33])[H:34])[N:41]([H:42])[H:43])([H:11])[N+:21]([O-:22])[O:23]>>[C:4](=[C:5](/[H:11])[N+:21]([O-:22])[O:23])(\[C:31]([H:32])([H:33])[H:34])[N:41]([H:42])[H:43].[Cl-:1].[Cl:2][H:3],35.37201270057721
[F:1][C@:5]([C:4]([H:3])([C:31]([H:32])([H:33])[H:34])[C:41]([H:42])([H:43])[H:44])([N+:11]([O-:12])[O:13])[H:21].[H-:2]>>[C:4](=[C:5]([N+:11]([O-:12])[O:13])[H:21])([C:31]([H:32])([H:33])[H:34])[C:41]([H:42])([H:43])[H:44].[F-:1].[H:2][H:3],9.272401096140092
[Cl-:2].[Cl:1][C@:5]([C:4]([H:3])([N:31]([H:32])[H:33])[N:41]([H:42])[H:43])([H:11])[N+:21]([O-:22])[O:23]>>[C:4](=[C:5]([H:11])[N+:21]([O-:22])[O:23])([N:31]([H:32])[H:33])[N:41]([H:42])[H:43].[Cl-:1].[Cl:2][H:3],37.90337939555906
[Cl:1][C:5]([C@:4]([H:3])([N:31]([H:32])[H:33])[C:41]#[N:42])([C:11]#[N:12])[C:21]#[N:22].[F-:2]>>[C:4](=[C:5]([C:11]#[N:12])[C:21]#[N:22])([N:31]([H:32])[H:33])[C:41]#[N:42].[Cl-:1].[F:2][H:3],4.976477801445392
[Br:1][C:5]([C:4]([H:3])([H:31])[H:41])([H:11])[C:21]([H:22])([H:23])[H:24].[F-:2]>>[Br-:1].[C:4](=[C:5]([H:11])[C:21]([H:22])([H:23])[H:24])([H:31])[H:41].[F:2][H:3],14.847906796008004
[Cl:1][C@:5]([C@:4]([H:3])([C:31]([H:32])([H:33])[H:34])[N:41]([H:42])[H:43])([N+:11]([O-:12])[O:13])[N:21]([H:22])[H:23].[H-:2]>>[C:4](=[C:5](/[N+:11]([O-:12])[O:13])[N:21]([H:22])[H:23])(\[C:31]([H:32])([H:33])[H:34])[N:41]([H:42])[H:43].[Cl-:1].[H:2][H:3],9.27707727595698
[Cl:1][C@:5]([C:4]([H:3])([N:31]([H:32])[H:33])[N:41]([H:42])[H:43])([H:11])[C:21]([H:22])([H:23])[H:24].[F-:2]>>[C:4](=[C:5]([H:11])[C:21]([H:22])([H:23])[H:24])([N:31]([H:32])[H:33])[N:41]([H:42])[H:43].[Cl-:1].[F:2][H:3],18.50616891035809
[Cl:1][C@:5]([C:4]([H:3])([N:31]([H:32])[H:33])[N:41]([H:42])[H:43])([N:11]([H:12])[H:13])[C:21]([H:22])([H:23])[H:24].[H-:2]>>[C:4](=[C:5]([N:11]([H:12])[H:13])[C:21]([H:22])([H:23])[H:24])([N:31]([H:32])[H:33])[N:41]([H:42])[H:43].[Cl-:1].[H:2][H:3],11.552426736544325
[Cl-:2].[Cl:1][C@:5]([C:4]([H:3])([C:31]([H:32])([H:33])[H:34])[H:41])([H:11])[C:21]#[N:22]>>[C:4](=[C:5](/[H:11])[C:21]#[N:22])(\[C:31]([H:32])([H:33])[H:34])[H:41].[Cl-:1].[Cl:2][H:3],37.65414436908688
[Br-:2].[Cl:1][C:5]([C:4]([H:3])([C:31]([H:32])([H:33])[H:34])[C:41]([H:42])([H:43])[H:44])([H:11])[H:21]>>[Br:2][H:3].[C:4](=[C:5]([H:11])[H:21])([C:31]([H:32])([H:33])[H:34])[C:41]([H:42])([H:43])[H:44].[Cl-:1],40.553206210140985
[F:1][C:5]([C:4]([H:3])([C:31]([H:32])([H:33])[H:34])[H:41])([C:11]([H:12])([H:13])[H:14])[C:21]([H:22])([H:23])[H:24].[H-:2]>>[C:4](=[C:5]([C:11]([H:12])([H:13])[H:14])[C:21]([H:22])([H:23])[H:24])([C:31]([H:32])([H:33])[H:34])[H:41].[F-:1].[H:2][H:3],3.7638991524804553
[Br:1][C@:5]([C:4]([H:3])([H:31])[N:41]([H:42])[H:43])([H:11])[N+:21]([O-:22])[O:23].[H-:2]>>[Br-:1].[C:4](=[C:5](/[H:11])[N+:21]([O-:22])[O:23])(\[H:31])[N:41]([H:42])[H:43].[H:2][H:3],12.21241276987634
[Cl:1][C@:5]([C:4]([H:3])([N:31]([H:32])[H:33])[H:41])([N:11]([H:12])[H:13])[C:21]#[N:22].[H-:2]>>[C:4](=[C:5](/[N:11]([H:12])[H:13])[C:21]#[N:22])(\[N:31]([H:32])[H:33])[H:41].[Cl-:1].[H:2][H:3],15.17784586624916
[Cl-:2].[Cl:1][C@:5]([C:4]([H:3])([N:31]([H:32])[H:33])[H:41])([H:11])[C:21]([H:22])([H:23])[H:24]>>[C:4](=[C:5](/[H:11])[C:21]([H:22])([H:23])[H:24])(\[N:31]([H:32])[H:33])[H:41].[Cl-:1].[Cl:2][H:3],44.96986106915746
[Br:1][C@:5]([C:4]([H:3])([N:31]([H:32])[H:33])[N:41]([H:42])[H:43])([N+:11]([O-:12])[O:13])[N:21]([H:22])[H:23].[H-:2]>>[Br-:1].[C:4](=[C:5]([N+:11]([O-:12])[O:13])[N:21]([H:22])[H:23])([N:31]([H:32])[H:33])[N:41]([H:42])[H:43].[H:2][H:3],10.016875351973267
[Br:1][C@:5]([C@:4]([H:3])([N:31]([H:32])[H:33])[C:41]#[N:42])([H:11])[N:21]([H:22])[H:23].[H-:2]>>[Br-:1].[C:4](=[C:5](/[H:11])[N:21]([H:22])[H:23])(\[N:31]([H:32])[H:33])[C:41]#[N:42].[H:2][H:3],5.947889141851982
[Br:1][C@:5]([C:4]([H:3])([H:31])[H:41])([C:11]#[N:12])[H:21].[H-:2]>>[Br-:1].[C:4](=[C:5]([C:11]#[N:12])[H:21])([H:31])[H:41].[H:2][H:3],7.503506305251284
[Cl:1][C:5]([C:4]([H:3])([C:31]([H:32])([H:33])[H:34])[C:41]([H:42])([H:43])[H:44])([H:11])[H:21].[H-:2]>>[C:4](=[C:5]([H:11])[H:21])([C:31]([H:32])([H:33])[H:34])[C:41]([H:42])([H:43])[H:44].[Cl-:1].[H:2][H:3],11.268944063713535
[F:1][C@:5]([C:4]([H:3])([C:31]([H:32])([H:33])[H:34])[C:41]([H:42])([H:43])[H:44])([N:11]([H:12])[H:13])[N+:21]([O-:22])[O:23].[H-:2]>>[C:4](=[C:5]([N:11]([H:12])[H:13])[N+:21]([O-:22])[O:23])([C:31]([H:32])([H:33])[H:34])[C:41]([H:42])([H:43])[H:44].[F-:1].[H:2][H:3],15.600818917981345
[Cl:1][C:5]([C:4]([H:3])([H:31])[H:41])([C:11]#[N:12])[C:21]#[N:22].[F-:2]>>[C:4](=[C:5]([C:11]#[N:12])[C:21]#[N:22])([H:31])[H:41].[Cl-:1].[F:2][H:3],1.120138306932153
[Br:1][C@:5]([C@:4]([H:3])([C:31]#[N:32])[C:41]([H:42])([H:43])[H:44])([N:11]([H:12])[H:13])[C:21]#[N:22].[H-:2]>>[Br-:1].[C:4](=[C:5](/[N:11]([H:12])[H:13])[C:21]#[N:22])(\[C:31]#[N:32])[C:41]([H:42])([H:43])[H:44].[H:2][H:3],3.5139489043197885
[Cl:1][C@:5]([C@:4]([H:3])([N:31]([H:32])[H:33])[C:41]([H:42])([H:43])[H:44])([C:11]([H:12])([H:13])[H:14])[N+:21]([O-:22])[O:23].[H-:2]>>[C:4](=[C:5](/[C:11]([H:12])([H:13])[H:14])[N+:21]([O-:22])[O:23])(\[N:31]([H:32])[H:33])[C:41]([H:42])([H:43])[H:44].[Cl-:1].[H:2][H:3],9.987779510604364
[Cl:1][C@:5]([C@:4]([H:3])([N:31]([H:32])[H:33])[C:41]([H:42])([H:43])[H:44])([N:11]([H:12])[H:13])[N+:21]([O-:22])[O:23].[F-:2]>>[C:4](=[C:5](/[N:11]([H:12])[H:13])[N+:21]([O-:22])[O:23])(\[N:31]([H:32])[H:33])[C:41]([H:42])([H:43])[H:44].[Cl-:1].[F:2][H:3],9.445298182094833
[Br:1][C@:5]([C:4]([H:3])([N:31]([H:32])[H:33])[N:41]([H:42])[H:43])([H:11])[N:21]([H:22])[H:23].[H-:2]>>[Br-:1].[C:4](=[C:5]([H:11])[N:21]([H:22])[H:23])([N:31]([H:32])[H:33])[N:41]([H:42])[H:43].[H:2][H:3],19.70402525322872
[Br-:2].[Cl:1][C:5]([C:4]([H:3])([H:31])[H:41])([H:11])[H:21]>>[Br:2][H:3].[C:4](=[C:5]([H:11])[H:21])([H:31])[H:41].[Cl-:1],39.40382235444971
[Br:1][C:5]([C@:4]([H:3])([N:31]([H:32])[H:33])[C:41]#[N:42])([C:11]([H:12])([H:13])[H:14])[C:21]([H:22])([H:23])[H:24].[Cl-:2]>>[Br-:1].[C:4](=[C:5]([C:11]([H:12])([H:13])[H:14])[C:21]([H:22])([H:23])[H:24])([N:31]([H:32])[H:33])[C:41]#[N:42].[Cl:2][H:3],26.166018679873496
[Br:1][C@:5]([C:4]([H:3])([H:31])[N:41]([H:42])[H:43])([C:11]#[N:12])[H:21].[F-:2]>>[Br-:1].[C:4](=[C:5](/[C:11]#[N:12])[H:21])(\[H:31])[N:41]([H:42])[H:43].[F:2][H:3],17.319671612966552
[Cl:1][C@:5]([C:4]([H:3])([H:31])[H:41])([H:11])[C:21]#[N:22].[F-:2]>>[C:4](=[C:5]([H:11])[C:21]#[N:22])([H:31])[H:41].[Cl-:1].[F:2][H:3],8.517334851750254
[Br:1][C@:5]([C:4]([H:3])([C:31]([H:32])([H:33])[H:34])[H:41])([H:11])[C:21]([H:22])([H:23])[H:24].[Cl-:2]>>[Br-:1].[C:4](=[C:5](/[H:11])[C:21]([H:22])([H:23])[H:24])(\[C:31]([H:32])([H:33])[H:34])[H:41].[Cl:2][H:3],34.95963123601604
[F:1][C@:5]([C@:4]([H:3])([C:31]#[N:32])[C:41]([H:42])([H:43])[H:44])([N:11]([H:12])[H:13])[C:21]([H:22])([H:23])[H:24].[H-:2]>>[C:4](=[C:5](/[N:11]([H:12])[H:13])[C:21]([H:22])([H:23])[H:24])(\[C:31]#[N:32])[C:41]([H:42])([H:43])[H:44].[F-:1].[H:2][H:3],3.743338168535417
[Br:1][C@:5]([C@:4]([H:3])([C:31]#[N:32])[N:41]([H:42])[H:43])([N+:11]([O-:12])[O:13])[H:21].[Cl-:2]>>[Br-:1].[C:4](=[C:5](/[N+:11]([O-:12])[O:13])[H:21])(\[C:31]#[N:32])[N:41]([H:42])[H:43].[Cl:2][H:3],24.84252708389565
[Cl:1][C@:5]([C@:4]([H:3])([C:31]#[N:32])[C:41]([H:42])([H:43])[H:44])([N:11]([H:12])[H:13])[N+:21]([O-:22])[O:23].[H-:2]>>[C:4](=[C:5](/[N:11]([H:12])[H:13])[N+:21]([O-:22])[O:23])(\[C:31]#[N:32])[C:41]([H:42])([H:43])[H:44].[Cl-:1].[H:2][H:3],2.8881756671417307
[Cl-:2].[Cl:1][C:5]([C@:4]([H:3])([C:31]#[N:32])[N:41]([H:42])[H:43])([C:11]([H:12])([H:13])[H:14])[C:21]([H:22])([H:23])[H:24]>>[C:4](=[C:5]([C:11]([H:12])([H:13])[H:14])[C:21]([H:22])([H:23])[H:24])([C:31]#[N:32])[N:41]([H:42])[H:43].[Cl-:1].[Cl:2][H:3],29.741323732788533