0 B7R0.13 C#CC(C)(C)C(=O)C 1458a_100000070787_100000038118 [0,0,0,0,0,0|4,0,0]=4 1 B7R0.13 C#CC(C)(C)C(=O)C 1458a_100000079900_200000210301 [0,0,0,0,0,0|4,0,0]=4 2 B7R0.13 C#CC(C)(C)C(=O)[13CH3] 1458a_100000079900_200025704644 [0,0,0,0,0,0|4,0,0]=4 3 B7R0.13 CC(=O)C(C)(C)C#N 1458a_100000740761_200000210301 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.13 CC(C)(C#N)C(=O)[13CH3] 1458a_100000740761_200025704644 [0,0,0,0,0,0|3,0,0]=3 5 B7R0.13 CC(C)(N[13CH3])C(=O)N 2230a_100000743658_200025704644 [0,0,0,0,0,0|4,0,0]=4 6 B7R0.13 CC(C)(N[13CH3])C(=O)N 34a_100000743658_200025704644 [0,0,0,0,0,0|4,0,0]=4 7 B7R0.13 CC(C)(O[13CH3])C(=O)N 34a_100011626353_200025704644 [0,0,0,0,0,0|4,0,0]=4 8 B7R0.13 CC(C)(O[13CH3])C(=O)N 7a_100011626353_200025704644 [0,0,0,0,0,0|4,0,0]=4 9 B7R0.13 CC(C)(S[13CH3])C(=O)N 62a_100000702505_200025704644 [0,0,0,0,0,0|4,0,0]=4 10 B7R0.13 CC(C)(S[13CH3])C(=O)N 62a_200025704644_100000702505 [0,0,0,0,0,0|4,0,0]=4 11 B7R0.13 CNC(C)(C)C(=O)N 2230a_100000743658_200000210301 [0,0,0,0,0,0|4,0,0]=4 12 B7R0.13 CNC(C)(C)C(=O)N 2230a_106832991635_100000702505 [0,0,0,0,0,0|4,0,0]=4 13 B7R0.13 CNC(C)(C)C(=O)N 34a_100000743658_200000210301 [0,0,0,0,0,0|4,0,0]=4 14 B7R0.13 CNC(C)(C)C(=O)N 34a_100102657272_100000702505 [0,0,0,0,0,0|4,0,0]=4 15 B7R0.13 CNC(C)(C)C(=O)N 7a_106832991635_100000702505 [0,0,0,0,0,0|4,0,0]=4 16 B7R0.13 CNC(F)(F)C(=O)N 7a_106832991635_100009811971 [0,0,0,0,0,0|2,2,0]=4 17 B7R0.13 COC(C)(C)C(=O)N 34a_100011626353_200000210301 [0,0,0,0,0,0|4,0,0]=4 18 B7R0.13 COC(C)(C)C(=O)N 34a_100138415774_100000702505 [0,0,0,0,0,0|4,0,0]=4 19 B7R0.13 COC(C)(C)C(=O)N 7a_100011626353_200000210301 [0,0,0,0,0,0|4,0,0]=4 20 B7R0.13 CSC(C)(C)C(=O)N 62a_100000702505_200000210301 [0,0,0,0,0,0|4,0,0]=4 21 B7R0.13 CSC(C)(C)C(=O)N 62a_200000210301_100000702505 [0,0,0,0,0,0|4,0,0]=4 22 B7R0.13 CSC(F)(F)C(=O)N 62a_100009811971_200000210301 [0,0,0,0,0,0|2,2,0]=4 23 B7R0.13 CSC(F)(F)C(=O)N 62a_200000210301_100009811971 [0,0,0,0,0,0|2,2,0]=4 24 B7R0.13 [13CH3]SC(F)(F)C(=O)N 62a_100009811971_200025704644 [0,0,0,0,0,0|2,2,0]=4 25 B7R0.13 [13CH3]SC(F)(F)C(=O)N 62a_200025704644_100009811971 [0,0,0,0,0,0|2,2,0]=4 26 B6R0.3 C#CC(C)C(=O)C 1458a_100000070787_200000035995 [1,0,0,0,0,0|3,0,0]=4 27 B6R0.3 CC(=O)C(C)C#N 1458a_100000070787_100000703298 [1,0,0,0,0,0|2,0,0]=3 28 B6R0.3 CC(=O)C(C)C#N 1458a_100000753662_200000210301 [1,0,0,0,0,0|2,0,0]=3 29 B6R0.3 CC(C#N)C(=O)[13CH3] 1458a_100000753662_200025704644 [1,0,0,0,0,0|2,0,0]=3 30 B6R0.3 CC(S[13CH3])C(=O)N 62a_100000702099_200025704644 [1,0,0,0,0,0|3,0,0]=4 31 B6R0.3 CC(S[13CH3])C(=O)N 62a_200025704644_100000702099 [1,0,0,0,0,0|3,0,0]=4 32 B6R0.3 CNC(C)C(=O)N 2230a_106832991635_100000702099 [1,0,0,0,0,0|3,0,0]=4 33 B6R0.3 CNC(C)C(=O)N 34a_100102657272_100000702099 [1,0,0,0,0,0|3,0,0]=4 34 B6R0.3 CNC(C)C(=O)N 7a_106832991635_100000702099 [1,0,0,0,0,0|3,0,0]=4 35 B6R0.3 CNC(F)C(=O)N 2230a_106832991635_100009813875 [1,0,0,0,0,0|2,1,0]=4 36 B6R0.3 CNC(F)C(=O)N 34a_100102657272_100009813875 [1,0,0,0,0,0|2,1,0]=4 37 B6R0.3 CNC(F)C(=O)N 7a_106832991635_100009813875 [1,0,0,0,0,0|2,1,0]=4 38 B6R0.3 CN[C@H](C)C(=O)N 2230a_100000119354_200000210301 [1,0,0,0,0,0|3,0,0]=4 39 B6R0.3 CN[C@H](C)C(=O)N 34a_100000119354_200000210301 [1,0,0,0,0,0|3,0,0]=4 40 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [1,0,0,0,0,0|3,0,0]=4 41 B6R0.3 COC(F)C(=O)N 34a_100138415774_100009813875 [1,0,0,0,0,0|2,1,0]=4 42 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [1,0,0,0,0,0|3,0,0]=4 43 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [1,0,0,0,0,0|3,0,0]=4 44 B6R0.3 CSC(C)C(=O)N 62a_100000702099_200000210301 [1,0,0,0,0,0|3,0,0]=4 45 B6R0.3 CSC(C)C(=O)N 62a_200000210301_100000702099 [1,0,0,0,0,0|3,0,0]=4 46 B6R0.3 CSC(F)C(=O)N 62a_100009813875_200000210301 [1,0,0,0,0,0|2,1,0]=4 47 B6R0.3 CSC(F)C(=O)N 62a_200000210301_100009813875 [1,0,0,0,0,0|2,1,0]=4 48 B6R0.3 C[C@@H](N[13CH3])C(=O)N 2230a_100000119354_200025704644 [1,0,0,0,0,0|3,0,0]=4 49 B6R0.3 C[C@@H](N[13CH3])C(=O)N 34a_100000119354_200025704644 [1,0,0,0,0,0|3,0,0]=4 50 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [1,0,0,0,0,0|3,0,0]=4 51 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [1,0,0,0,0,0|3,0,0]=4 52 B6R0.3 [13CH3]SC(F)C(=O)N 62a_100009813875_200025704644 [1,0,0,0,0,0|2,1,0]=4 53 B6R0.3 [13CH3]SC(F)C(=O)N 62a_200025704644_100009813875 [1,0,0,0,0,0|2,1,0]=4 54 B8R0.13 C#CC(C)(C)C(=O)NC 11a_106832991635_100000079900 [0,1,0,0,0,0|3,0,0]=4 55 B8R0.13 C#CC(C)(C)C(=O)NC 1626a_100102657272_100000079900 [0,1,0,0,0,0|3,0,0]=4 56 B8R0.13 C#CC(C)(C)C(=O)NC 240690a_100102657272_100000079900 [0,1,0,0,0,0|3,0,0]=4 57 B8R0.13 C#CC(C)(C)C(=O)NC 527a_100102657272_100000079900 [0,1,0,0,0,0|3,0,0]=4 58 B8R0.13 CC(C)(C#N)C(=O)CF 1458a_100000740761_100015361967 [0,1,0,0,0,0|3,0,0]=4 59 B8R0.13 CCC(=O)C(C)(C)C#N 1458a_100000740761_100000210202 [0,1,0,0,0,0|3,0,0]=4 60 B8R0.13 CNC(=O)C(C)(C)C#N 11a_106832991635_100000740761 [0,1,0,0,0,0|2,0,0]=3 61 B8R0.13 CNC(=O)C(C)(C)C#N 1626a_100102657272_100000740761 [0,1,0,0,0,0|2,0,0]=3 62 B8R0.13 CNC(=O)C(C)(C)C#N 240690a_100102657272_100000740761 [0,1,0,0,0,0|2,0,0]=3 63 B8R0.13 CNC(=O)C(C)(C)C#N 527a_100102657272_100000740761 [0,1,0,0,0,0|2,0,0]=3 64 B8R1.63 CC(=O)C1(CC1)C#N 1458a_100000070787_100009889376 [0,0,0,1,0,0|3,0,0]=4 65 B8R1.63 CC(=O)C1(CC1)C#N 1458a_100000691320_200000210301 [0,0,0,1,0,0|3,0,0]=4 66 B8R1.63 [13CH3]C(=O)C1(CC1)C#N 1458a_100000691320_200025704644 [0,0,0,1,0,0|3,0,0]=4 67 B8R0.34 CC(=O)NC(C)(C)C#N 11a_100000761509_100015343762 [0,0,0,0,0,1|3,0,0]=4 68 B8R0.34 CC(=O)NC(C)(C)C#N 1626a_100000761509_100015343762 [0,0,0,0,0,1|3,0,0]=4 69 B8R0.34 CC(=O)NC(C)(C)C#N 527a_100000761509_100103153847 [0,0,0,0,0,1|3,0,0]=4 70 B5R0.1 C#CCC(=O)C 1458a_100000070787_100000184674 [2,0,0,0,0,0|2,0,0]=4 71 B5R0.1 C#CCC(=O)C 1458a_100011220946_200000210301 [2,0,0,0,0,0|2,0,0]=4 72 B5R0.1 C#CCC(=O)[13CH3] 1458a_100011220946_200025704644 [2,0,0,0,0,0|2,0,0]=4 73 B5R0.1 CC(=O)CC#N 1458a_100000070787_100011214920 [2,0,0,0,0,0|1,0,0]=3 74 B5R0.1 CC(=O)CC#N 1458a_100051588842_200000210301 [2,0,0,0,0,0|1,0,0]=3 75 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [2,0,0,0,0,0|2,0,0]=4 76 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [2,0,0,0,0,0|2,0,0]=4 77 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [2,0,0,0,0,0|2,0,0]=4 78 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [2,0,0,0,0,0|2,0,0]=4 79 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [2,0,0,0,0,0|2,0,0]=4 80 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [2,0,0,0,0,0|2,0,0]=4 81 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [2,0,0,0,0,0|2,0,0]=4 82 B5R0.1 [13CH3]C(=O)CC#N 1458a_100051588842_200025704644 [2,0,0,0,0,0|1,0,0]=3 83 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [2,0,0,0,0,0|2,0,0]=4 84 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [2,0,0,0,0,0|2,0,0]=4 85 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [2,0,0,0,0,0|2,0,0]=4 86 B7R0.5 CC(=O)C(C)CC#N 1458a_100000070787_100009813641 [1,1,0,0,0,0|2,0,0]=4 87 B7R0.10 C#CC(=O)C(C)C#N 1458a_100000211873_100000703298 [1,1,0,0,0,0|2,0,0]=4 88 B7R0.10 C=CC(=O)C(C)C#N 1458a_100000185746_100000703298 [1,1,0,0,0,0|2,0,0]=4 89 B7R0.10 CC(C#N)C(=O)CF 1458a_100000753662_100015361967 [1,1,0,0,0,0|2,0,0]=4 90 B7R0.10 CC(C#N)C(=O)CO 1458a_100000210174_100000703298 [1,1,0,0,0,0|2,0,0]=4 91 B7R0.10 CCC(=O)C(C)C#N 1458a_100000210414_100000703298 [1,1,0,0,0,0|2,0,0]=4 92 B7R0.10 CCC(=O)C(C)C#N 1458a_100000753662_100000210202 [1,1,0,0,0,0|2,0,0]=4 93 B7R0.10 CNC(=O)C(C)C#N 11a_106832991635_100000753662 [1,1,0,0,0,0|1,0,0]=3 94 B7R0.10 CNC(=O)C(C)C#N 1626a_100102657272_100000753662 [1,1,0,0,0,0|1,0,0]=3 95 B7R0.10 CNC(=O)C(C)C#N 240690a_100102657272_100000753662 [1,1,0,0,0,0|1,0,0]=3 96 B7R0.10 CNC(=O)C(C)C#N 527a_100102657272_100000753662 [1,1,0,0,0,0|1,0,0]=3 97 B7R0.15 CNC(C#N)C(=O)N 2230a_100000039599_200000210301 [1,1,0,0,0,0|1,0,0]=3 98 B7R0.15 [13CH3]NC(C#N)C(=O)N 2230a_100000039599_200025704644 [1,1,0,0,0,0|1,0,0]=3 99 B9R0.22 CNC(=O)NC(C)(C)C#N 273464a_100000761509_100102657272 [0,1,0,0,0,1|2,0,0]=4 100 B9R0.22 CNC(=O)NC(C)(C)C#N 273464a_100102657272_100000761509 [0,1,0,0,0,1|2,0,0]=4 101 B9R0.22 CNC(=O)NC(C)(C)C#N 512a_100000761509_100102657272 [0,1,0,0,0,1|2,0,0]=4 102 B9R0.22 CNC(=O)NC(C)(C)C#N 512a_106832991638_100000761509 [0,1,0,0,0,1|2,0,0]=4 103 B9R0.51 CC(C)(NCC#N)C(=O)N 2230a_100000743658_100011215382 [0,2,0,0,0,0|2,0,0]=4 104 B9R0.51 CC(C)(OCC#N)C(=O)N 7a_100011626353_100011215382 [0,2,0,0,0,0|2,0,0]=4 105 B9R0.51 CC(C)(SCC#N)C(=O)N 62a_100000702505_100011215382 [0,2,0,0,0,0|2,0,0]=4 106 B9R0.51 CC(C)(SCC#N)C(=O)N 62a_100011215382_100000702505 [0,2,0,0,0,0|2,0,0]=4 107 B9R0.51 N#CCSC(F)(F)C(=O)N 62a_100009811971_100011215382 [0,2,0,0,0,0|0,2,0]=4 108 B9R0.51 N#CCSC(F)(F)C(=O)N 62a_100011215382_100009811971 [0,2,0,0,0,0|0,2,0]=4 109 B9R0.19 CCNC(=O)C(C)(C)C#N 11a_100015525214_100000740761 [0,2,0,0,0,0|2,0,0]=4 110 B9R0.19 CCNC(=O)C(C)(C)C#N 240690a_100015525214_100000740761 [0,2,0,0,0,0|2,0,0]=4 111 B9R0.19 CCNC(=O)C(C)(C)C#N 527a_100015525214_100000740761 [0,2,0,0,0,0|2,0,0]=4 112 B9R0.19 CNNC(=O)C(C)(C)C#N 22a_100016993582_100000740761 [0,2,0,0,0,0|2,0,0]=4 113 B9R1.190 CNC(=O)C1(CC1)C#N 11a_106832991635_100000691320 [0,1,0,1,0,0|2,0,0]=4 114 B9R1.190 CNC(=O)C1(CC1)C#N 1626a_100102657272_100000691320 [0,1,0,1,0,0|2,0,0]=4 115 B9R1.190 CNC(=O)C1(CC1)C#N 240690a_100102657272_100000691320 [0,1,0,1,0,0|2,0,0]=4 116 B7R0.2 CC(=O)NC(C)C#N 11a_100000737613_100015343762 [1,0,0,0,0,1|2,0,0]=4 117 B7R0.2 CC(=O)NC(C)C#N 1626a_100000737613_100015343762 [1,0,0,0,0,1|2,0,0]=4 118 B7R0.2 CC(=O)NC(C)C#N 527a_100000737613_100103153847 [1,0,0,0,0,1|2,0,0]=4 119 B9R0.64 CC(C)(C#N)OCC(=O)N 34a_200015195151_100000187820 [0,0,0,0,0,2|2,0,0]=4 120 B9R0.64 CC(C)(C#N)SCC(=O)N 62a_100000747473_100011162410 [0,0,0,0,0,2|2,0,0]=4 121 B9R0.64 CC(C)(C#N)SCC(=O)N 62a_100011162410_100000747473 [0,0,0,0,0,2|2,0,0]=4