0 B9R0.67 C#CC(C)(CC)NCC#N 2230a_100000054623_100011215382 [0,0,0,0,0,0|4,0,0]=4 1 B9R0.67 C#CC(C)(CC)OCC#N 7a_100000686493_100011215382 [0,0,0,0,0,0|4,0,0]=4 2 B9R0.67 C#CCOC(C)(C#N)CC 7a_100000760259_100000038162 [0,0,0,0,0,0|4,0,0]=4 3 B9R0.67 CCC(C)(C#N)OCC#N 7a_100000760259_100011215382 [0,0,0,0,0,0|3,0,0]=3 4 B8R0.11 C#CC(CC)OCC#N 7a_100000758843_100011215382 [1,0,0,0,0,0|3,0,0]=4 5 B8R0.11 N#CCNC(C#N)C#N 2230a_100000106176_100011215382 [1,0,0,0,0,0|2,0,1]=4 6 B8R0.11 N#CCSC(C#N)C#N 62a_100000722193_100011215382 [1,0,0,0,0,0|2,0,1]=4 7 B8R0.11 N#CCSC(C#N)C#N 62a_100011215382_100000722193 [1,0,0,0,0,0|2,0,1]=4 8 B8R0.25 C#CC(C)(C)OCC#N 7a_100000189450_100011215382 [1,0,0,0,0,0|3,0,0]=4 9 B8R0.25 C#CC(C)(C)SCC#N 62a_100000038118_100011215382 [1,0,0,0,0,0|3,0,0]=4 10 B8R0.25 C#CC(C)(C)SCC#N 62a_100011215382_100000038118 [1,0,0,0,0,0|3,0,0]=4 11 B8R0.25 C#CCNC(C)(C)C#N 34a_100000212058_100011162410 [1,0,0,0,0,0|3,0,0]=4 12 B8R0.25 C#CCOC(C)(C)C#N 34a_100000210247_100011162410 [1,0,0,0,0,0|3,0,0]=4 13 B8R0.25 C#CCOC(C)(C)C#N 34a_200015195151_100000184674 [1,0,0,0,0,0|3,0,0]=4 14 B8R0.25 C#CCSC(C)(C)C#N 62a_100000038162_100011162410 [1,0,0,0,0,0|3,0,0]=4 15 B8R0.25 CC(C)(C#N)SCC#N 62a_100011162410_100011215382 [1,0,0,0,0,0|2,0,0]=3 16 B8R0.25 CC(C)(C#N)SCC#N 62a_100011215382_100011162410 [1,0,0,0,0,0|2,0,0]=3 17 B10R0.133 CC(C)C(C)(C#N)NCC#N 2230a_100000184312_100011215382 [0,1,0,0,0,0|3,0,0]=4 18 B10R0.134 CCC(C)(C#N)OC(C)C#N 7a_100000760259_100000703298 [0,1,0,0,0,0|3,0,0]=4 19 B10R0.152 CCC(C#N)(CC)NCC#N 2230a_100000746712_100011215382 [0,1,0,0,0,0|3,0,0]=4 20 B10R0.157 C#CC(C)(CC)NCCC#N 2230a_100000054623_100011215226 [0,1,0,0,0,0|3,0,0]=4 21 B10R0.157 C#CC(C)(CC)OCCC#N 7a_100000686493_100000184422 [0,1,0,0,0,0|3,0,0]=4 22 B10R0.157 C#CCCOC(C)(C#N)CC 7a_100000760259_100000688953 [0,1,0,0,0,0|3,0,0]=4 23 B10R0.157 CCC(C)(C#N)OCCC#N 7a_100000760259_100000184422 [0,1,0,0,0,0|2,0,0]=3 24 B7R0.3 C#CC(C)NCC#N 2230a_100000707721_100011215382 [2,0,0,0,0,0|2,0,0]=4 25 B7R0.3 C#CC(C)SCC#N 62a_200000035995_100011215382 [2,0,0,0,0,0|2,0,0]=4 26 B7R0.3 C#CCNC(C)C#N 2230a_100000737613_100000038162 [2,0,0,0,0,0|2,0,0]=4 27 B7R0.3 C#CCOC(C)C#N 34a_100011218135_100000184674 [2,0,0,0,0,0|2,0,0]=4 28 B7R0.3 C#CCSC(C)C#N 62a_100000038162_100000703298 [2,0,0,0,0,0|2,0,0]=4 29 B7R0.3 C#C[C@@H](C)OCC#N 7a_100009815206_100011215382 [2,0,0,0,0,0|2,0,0]=4 30 B7R0.3 CC(C#N)NCC#N 2230a_100000737613_100011215382 [2,0,0,0,0,0|1,0,0]=3 31 B7R0.3 CC(C#N)SCC#N 62a_100000703298_100011215382 [2,0,0,0,0,0|1,0,0]=3 32 B7R0.3 CC(C#N)SCC#N 62a_100011215382_100000703298 [2,0,0,0,0,0|1,0,0]=3 33 B7R0.3 N#CCSC(F)C#N 62a_100011215382_200000117898 [2,0,0,0,0,0|1,1,0]=4 34 B7R0.3 N#CCSC(F)C#N 62a_200000117898_100011215382 [2,0,0,0,0,0|1,1,0]=4 35 B9R0.13 CC(C)C(C#N)OCC#N 7a_100000748901_100011215382 [1,1,0,0,0,0|2,0,0]=4 36 B9R0.40 CCCC(C#N)OCC#N 7a_100000686963_100011215382 [1,1,0,0,0,0|2,0,0]=4 37 B9R0.40 CCN(CC#N)CCC#N 2230a_100000226048_100011215382 [1,1,0,0,0,0|2,0,0]=4 38 B9R0.40 CC[C@H](CC#N)NCC#N 2230a_200009818565_100011215382 [1,1,0,0,0,0|2,0,0]=4 39 B9R0.50 C#CC(CC)OCCC#N 7a_100000758843_100000184422 [1,1,0,0,0,0|2,0,0]=4 40 B9R0.50 N#CCCNC(C#N)C#N 2230a_100000106176_100011215226 [1,1,0,0,0,0|1,0,1]=4 41 B9R0.50 N#CCCSC(C#N)C#N 62a_100000722193_100011215226 [1,1,0,0,0,0|1,0,1]=4 42 B9R0.50 N#CCCSC(C#N)C#N 62a_100011215226_100000722193 [1,1,0,0,0,0|1,0,1]=4 43 B9R0.19 CC(C)(C#N)C(=O)CC#N 1458a_100000740761_100011214920 [1,1,0,0,0,0|1,0,1]=4 44 B9R0.20 C#CC(C)(C)OCCC#N 7a_100000189450_100000184422 [1,1,0,0,0,0|2,0,0]=4 45 B9R0.20 C#CC(C)(C)SCCC#N 62a_100000038118_100011215226 [1,1,0,0,0,0|2,0,0]=4 46 B9R0.20 C#CC(C)(C)SCCC#N 62a_100011215226_100000038118 [1,1,0,0,0,0|2,0,0]=4 47 B9R0.20 C#CCCNC(C)(C)C#N 34a_100000755551_100011162410 [1,1,0,0,0,0|2,0,0]=4 48 B9R0.20 C#CCCOC(C)(C)C#N 34a_100011215631_100011162410 [1,1,0,0,0,0|2,0,0]=4 49 B9R0.20 C#CCCOC(C)(C)C#N 34a_200015195151_100000688953 [1,1,0,0,0,0|2,0,0]=4 50 B9R0.20 C#CCCSC(C)(C)C#N 62a_100000688953_100011162410 [1,1,0,0,0,0|2,0,0]=4 51 B9R0.20 C#CCCSC(C)(C)C#N 62a_100011162410_100000688953 [1,1,0,0,0,0|2,0,0]=4 52 B9R0.20 CC(C)(C#N)SCCC#N 62a_100011162410_100011215226 [1,1,0,0,0,0|1,0,0]=3 53 B9R0.20 CC(C)(C#N)SCCC#N 62a_100011215226_100011162410 [1,1,0,0,0,0|1,0,0]=3 54 B9R0.20 CC(C)(C#N)SCSC#N 62a_100000211825_100011162410 [1,1,0,0,0,0|2,0,0]=4 55 B9R0.20 CC(C)(C#N)SCSC#N 62a_100011162410_100000211825 [1,1,0,0,0,0|2,0,0]=4 56 B9R0.22 CC(C#N)OC(C)(C)C#N 34a_100011218135_100011162410 [1,1,0,0,0,0|2,0,0]=4 57 B9R0.22 CC(C#N)SC(C)(C)C#N 62a_100000703298_100011162410 [1,1,0,0,0,0|2,0,0]=4 58 B9R0.22 CC(C#N)SC(C)(C)C#N 62a_100011162410_100000703298 [1,1,0,0,0,0|2,0,0]=4 59 B9R0.22 CC(C)(C#N)SC(F)C#N 62a_100011162410_200000117898 [1,1,0,0,0,0|2,0,0]=4 60 B9R0.22 CC(C)(C#N)SC(F)C#N 62a_200000117898_100011162410 [1,1,0,0,0,0|2,0,0]=4 61 B11R0.329 CC(C)C(C)(C#N)NCCC#N 2230a_100000184312_100011215226 [0,2,0,0,0,0|2,0,0]=4 62 B11R0.354 CCC(C)(C#N)OC(C)CC#N 7a_100000760259_100009813641 [0,2,0,0,0,0|2,0,0]=4 63 B11R0.277 CCC(C#N)(CC)NCCC#N 2230a_100000746712_100011215226 [0,2,0,0,0,0|2,0,0]=4 64 B11R0.305 CCC(C)(C#N)OCCCC#N 7a_100000760259_100000687738 [0,2,0,0,0,0|2,0,0]=4 65 B9R1.193 N#CCNC1(CC1)C#N 2230a_100000756336_100011215382 [1,0,0,1,0,0|2,0,0]=4 66 B9R1.193 N#CCSC1(CC1)C#N 62a_100009889376_100011215382 [1,0,0,1,0,0|2,0,0]=4 67 B9R1.193 N#CCSC1(CC1)C#N 62a_100011215382_100009889376 [1,0,0,1,0,0|2,0,0]=4