0 B6R0.1 C#CC(=O)NCC WXVL_AK00476SB0338 [0,0,1,0,0,0|2,0,1]=4 1 B6R0.1 C#CC(=O)NCC WXVL_AK00476SB0338 [0,0,1,0,0,0|2,0,1]=4 2 B6R0.1 CCNC(=O)CC WXVL_AK00476SB0064 [0,0,1,0,0,0|2,0,0]=3 3 B6R0.1 CCNC(=O)CC WXVL_AK00476SB0064 [0,0,1,0,0,0|2,0,0]=3 4 B6R0.1 CCNC(=O)CO WXVL_AK00476SB2706 [0,0,1,0,0,0|2,0,0]=3 5 B6R0.1 CCNC(=O)CO WXVL_AK00476SB2706 [0,0,1,0,0,0|2,0,0]=3 6 B6R0.1 CNC(=O)COC WXVL_AK00442SB0090 [0,0,1,0,0,0|3,0,0]=4 7 B6R0.1 CNC(=O)COC WXVL_AK00442SB0090 [0,0,1,0,0,0|3,0,0]=4 8 B6R0.3 CCC(=O)C(=O)N WXVL_AK0084SB0344 [0,0,1,0,0,0|2,0,1]=4 9 B6R0.3 CCC(=O)C(=O)N WXVL_AK0084SB0344 [0,0,1,0,0,0|2,0,1]=4 10 B6R0.3 CCC(C)C(=O)N WXVL_AK0084SB0054 [0,0,1,0,0,0|2,0,0]=3 11 B6R0.3 CCC(C)C(=O)N WXVL_AK0084SB0054 [0,0,1,0,0,0|2,0,0]=3 12 B6R0.3 CC[C@@H](C)C(=O)N WXVL_AK0084SB00054 [0,0,1,0,0,0|2,0,0]=3 13 B6R0.3 CC[C@@H](C)C(=O)N WXVL_AK0084SB00054 [0,0,1,0,0,0|2,0,0]=3 14 B6R0.3 CC[C@H](O)C(=O)N WXVL_AK0084SB3573 [0,0,1,0,0,0|2,0,0]=3 15 B6R0.3 CC[C@H](O)C(=O)N WXVL_AK0084SB3573 [0,0,1,0,0,0|2,0,0]=3 16 B6R0.3 CN(C)C(=O)CO WXVL_AN0032SB2706 [0,0,1,0,0,0|3,0,0]=4 17 B6R0.3 CN(C)C(=O)CO WXVL_AN0032SB2706 [0,0,1,0,0,0|3,0,0]=4 18 B6R0.3 CNC(=O)C(=O)C WXVL_AK00442SB0051 [0,0,1,0,0,0|2,0,1]=4 19 B6R0.3 CNC(=O)C(=O)C WXVL_AK00442SB0051 [0,0,1,0,0,0|2,0,1]=4 20 B6R0.3 CNC(=O)C(=O)N WXVL_AK00442SB0128 [0,0,1,0,0,0|2,0,1]=4 21 B6R0.3 CNC(=O)C(=O)N WXVL_AK00442SB0128 [0,0,1,0,0,0|2,0,1]=4 22 B6R0.3 CNC(=O)C(C)C WXVL_AK00442SB0052 [0,0,1,0,0,0|2,0,0]=3 23 B6R0.3 CNC(=O)C(C)C WXVL_AK00442SB0052 [0,0,1,0,0,0|2,0,0]=3 24 B6R0.3 CNC(=O)C(C)S WXVL_AK00442SB2708 [0,0,1,0,0,0|2,0,0]=3 25 B6R0.3 CNC(=O)C(C)S WXVL_AK00442SB2708 [0,0,1,0,0,0|2,0,0]=3 26 B6R0.3 CNC(=O)C(F)F WXVL_AK00442SB0079 [0,0,1,0,0,0|3,0,0]=4 27 B6R0.3 CNC(=O)C(F)F WXVL_AK00442SB0079 [0,0,1,0,0,0|3,0,0]=4 28 B6R0.3 CNC(=O)[C@@H](C)O WXVL_AK00442SB1085 [0,0,1,0,0,0|2,0,0]=3 29 B6R0.3 CNC(=O)[C@@H](C)O WXVL_AK00442SB1085 [0,0,1,0,0,0|2,0,0]=3 30 B6R0.3 CO[C@H](C)C(=O)N WXVL_AK0084SB2926 [0,0,1,0,0,0|3,0,0]=4 31 B6R0.3 CO[C@H](C)C(=O)N WXVL_AK0084SB2926 [0,0,1,0,0,0|3,0,0]=4 32 B5R0.1 C#CCC(=O)N WXVL_AK0084SB3070 [1,0,1,0,0,0|1,0,1]=4 33 B5R0.1 C#CCC(=O)N WXVL_AK0084SB3070 [1,0,1,0,0,0|1,0,1]=4 34 B5R0.1 C/C=C/C(=O)N WXVL_AK0084SB0340 [1,0,1,0,0,0|2,0,0]=4 35 B5R0.1 C/C=C/C(=O)N WXVL_AK0084SB0340 [1,0,1,0,0,0|2,0,0]=4 36 B5R0.1 C=CCC(=O)N WXVL_AK0084SB2732 [1,0,1,0,0,0|1,0,1]=4 37 B5R0.1 C=CCC(=O)N WXVL_AK0084SB2732 [1,0,1,0,0,0|1,0,1]=4 38 B5R0.1 CC#CC(=O)N WXVL_AK0084SB1240 [1,0,1,0,0,0|2,0,0]=4 39 B5R0.1 CC#CC(=O)N WXVL_AK0084SB1240 [1,0,1,0,0,0|2,0,0]=4 40 B5R0.1 CCCC(=O)N WXVL_AK0084SB0073 [1,0,1,0,0,0|1,0,0]=3 41 B5R0.1 CCCC(=O)N WXVL_AK0084SB0073 [1,0,1,0,0,0|1,0,0]=3 42 B5R0.1 CCNC(=O)C WXVL_AK00476SB0150 [1,0,1,0,0,0|1,0,0]=3 43 B5R0.1 CCNC(=O)C WXVL_AK00476SB0150 [1,0,1,0,0,0|1,0,0]=3 44 B5R0.1 COCC(=O)N WXVL_AK0084SB0090 [1,0,1,0,0,0|1,0,0]=3 45 B5R0.1 COCC(=O)N WXVL_AK0084SB0090 [1,0,1,0,0,0|1,0,0]=3 46 B5R0.1 CSCC(=O)N WXVL_AK0084SB1267 [1,0,1,0,0,0|1,1,0]=4 47 B5R0.1 CSCC(=O)N WXVL_AK0084SB1267 [1,0,1,0,0,0|1,1,0]=4 48 B5R0.1 N#CCC(=O)N WXVL_AK0084SB0057 [1,0,1,0,0,0|1,0,1]=4 49 B5R0.1 N#CCC(=O)N WXVL_AK0084SB0057 [1,0,1,0,0,0|1,0,1]=4 50 B5R0.3 C#CC(=O)NC WXVL_AK00442SB0338 [1,0,1,0,0,0|1,0,1]=4 51 B5R0.3 C#CC(=O)NC WXVL_AK00442SB0338 [1,0,1,0,0,0|1,0,1]=4 52 B5R0.3 CCC(=O)NC WXVL_AK00442SB0064 [1,0,1,0,0,0|1,0,0]=3 53 B5R0.3 CCC(=O)NC WXVL_AK00442SB0064 [1,0,1,0,0,0|1,0,0]=3 54 B5R0.3 CNC(=O)CO WXVL_AK00442SB2706 [1,0,1,0,0,0|1,0,0]=3 55 B5R0.3 CNC(=O)CO WXVL_AK00442SB2706 [1,0,1,0,0,0|1,0,0]=3 56 B5R0.5 CC(=O)C(=O)N WXVL_AK0084SB0051 [1,0,1,0,0,0|1,0,1]=4 57 B5R0.5 CC(=O)C(=O)N WXVL_AK0084SB0051 [1,0,1,0,0,0|1,0,1]=4 58 B5R0.5 CC(C)C(=O)N WXVL_AK0084SB0052 [1,0,1,0,0,0|1,0,0]=3 59 B5R0.5 CC(C)C(=O)N WXVL_AK0084SB0052 [1,0,1,0,0,0|1,0,0]=3 60 B5R0.5 CC(S)C(=O)N WXVL_AK0084SB2708 [1,0,1,0,0,0|1,0,0]=3 61 B5R0.5 CC(S)C(=O)N WXVL_AK0084SB2708 [1,0,1,0,0,0|1,0,0]=3 62 B5R0.5 C[C@@H](O)C(=O)N WXVL_AK0084SB1085 [1,0,1,0,0,0|1,0,0]=3 63 B5R0.5 C[C@@H](O)C(=O)N WXVL_AK0084SB1085 [1,0,1,0,0,0|1,0,0]=3 64 B5R0.5 NC(=O)C(=O)N WXVL_AK0084SB0128 [1,0,1,0,0,0|0,0,2]=4 65 B5R0.5 NC(=O)C(=O)N WXVL_AK0084SB0128 [1,0,1,0,0,0|0,0,2]=4 66 B5R0.5 NC(=O)C(F)F WXVL_AK0084SB0079 [1,0,1,0,0,0|2,0,0]=4 67 B5R0.5 NC(=O)C(F)F WXVL_AK0084SB0079 [1,0,1,0,0,0|2,0,0]=4 68 B7R0.2 CC(C)NC(=O)CO WXVL_AK0030SB2706 [0,1,1,0,0,0|2,0,0]=4 69 B7R0.2 CC(C)NC(=O)CO WXVL_AK0030SB2706 [0,1,1,0,0,0|2,0,0]=4 70 B7R0.2 CCC(=O)NC(C)C WXVL_AK0030SB0064 [0,1,1,0,0,0|2,0,0]=4 71 B7R0.2 CCC(=O)NC(C)C WXVL_AK0030SB0064 [0,1,1,0,0,0|2,0,0]=4 72 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [0,1,1,0,0,0|2,0,0]=4 73 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [0,1,1,0,0,0|2,0,0]=4 74 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [0,1,1,0,0,0|2,0,0]=4 75 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [0,1,1,0,0,0|2,0,0]=4 76 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [0,1,1,0,0,0|2,0,0]=4 77 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [0,1,1,0,0,0|2,0,0]=4 78 B7R0.3 O=C(CO)NCCF WXVL_AK00466SB2706 [0,1,1,0,0,0|2,0,0]=4 79 B7R0.3 O=C(CO)NCCF WXVL_AK00466SB2706 [0,1,1,0,0,0|2,0,0]=4 80 B7R0.5 CCNC(=O)C(=O)N WXVL_AK00476SB0128 [0,1,1,0,0,0|1,0,1]=4 81 B7R0.5 CCNC(=O)C(=O)N WXVL_AK00476SB0128 [0,1,1,0,0,0|1,0,1]=4 82 B7R0.5 CCNC(=O)C(C)C WXVL_AK00476SB0052 [0,1,1,0,0,0|2,0,0]=4 83 B7R0.5 CCNC(=O)C(C)C WXVL_AK00476SB0052 [0,1,1,0,0,0|2,0,0]=4 84 B7R0.5 CCNC(=O)C(C)S WXVL_AK00476SB2708 [0,1,1,0,0,0|2,0,0]=4 85 B7R0.5 CCNC(=O)C(C)S WXVL_AK00476SB2708 [0,1,1,0,0,0|2,0,0]=4 86 B7R0.5 CCNC(=O)C(F)F WXVL_AK00476SB0079 [0,1,1,0,0,0|2,0,0]=4 87 B7R0.5 CCNC(=O)C(F)F WXVL_AK00476SB0079 [0,1,1,0,0,0|2,0,0]=4 88 B7R0.5 CCNC(=O)[C@@H](C)O WXVL_AK00476SB1085 [0,1,1,0,0,0|2,0,0]=4 89 B7R0.5 CCNC(=O)[C@@H](C)O WXVL_AK00476SB1085 [0,1,1,0,0,0|2,0,0]=4 90 B7R0.7 C#CCC(=O)NCC WXVL_AK00476SB3070 [0,1,1,0,0,0|2,0,0]=4 91 B7R0.7 C#CCC(=O)NCC WXVL_AK00476SB3070 [0,1,1,0,0,0|2,0,0]=4 92 B7R0.7 C=CCC(=O)NCC WXVL_AK00476SB2732 [0,1,1,0,0,0|2,0,0]=4 93 B7R0.7 C=CCC(=O)NCC WXVL_AK00476SB2732 [0,1,1,0,0,0|2,0,0]=4 94 B7R0.7 CCCC(=O)NCC WXVL_AK00476SB0073 [0,1,1,0,0,0|2,0,0]=4 95 B7R0.7 CCCC(=O)NCC WXVL_AK00476SB0073 [0,1,1,0,0,0|2,0,0]=4 96 B7R0.7 CCNC(=O)CC#N WXVL_AK00476SB0057 [0,1,1,0,0,0|1,0,1]=4 97 B7R0.7 CCNC(=O)CC#N WXVL_AK00476SB0057 [0,1,1,0,0,0|1,0,1]=4 98 B7R0.7 CCNC(=O)COC WXVL_AK00476SB0090 [0,1,1,0,0,0|2,0,0]=4 99 B7R0.7 CCNC(=O)COC WXVL_AK00476SB0090 [0,1,1,0,0,0|2,0,0]=4 100 B7R0.7 CCNC(=O)CSC WXVL_AK00476SB1267 [0,1,1,0,0,0|2,0,0]=4 101 B7R0.7 CCNC(=O)CSC WXVL_AK00476SB1267 [0,1,1,0,0,0|2,0,0]=4 102 B7R0.13 CC(C)(CCl)C(=O)N WXVL_AK0084SB3392 [0,1,1,0,0,0|2,0,0]=4 103 B7R0.13 CC(C)(CCl)C(=O)N WXVL_AK0084SB3392 [0,1,1,0,0,0|2,0,0]=4 104 B7R0.13 CCC(C)(C)C(=O)N WXVL_AK0084SB0355 [0,1,1,0,0,0|2,0,0]=4 105 B7R0.13 CCC(C)(C)C(=O)N WXVL_AK0084SB0355 [0,1,1,0,0,0|2,0,0]=4 106 B7R0.13 CCC(C)(O)C(=O)N WXVL_AK0084SB3009 [0,1,1,0,0,0|2,0,0]=4 107 B7R0.13 CCC(C)(O)C(=O)N WXVL_AK0084SB3009 [0,1,1,0,0,0|2,0,0]=4 108 B7R0.14 CNC(=O)C(C)(C)Br WXVL_AK00442SB0432 [0,1,1,0,0,0|2,0,0]=4 109 B7R0.14 CNC(=O)C(C)(C)Br WXVL_AK00442SB0432 [0,1,1,0,0,0|2,0,0]=4 110 B7R0.14 CNC(=O)C(C)(C)C WXVL_AK00442SB0078 [0,1,1,0,0,0|2,0,0]=4 111 B7R0.14 CNC(=O)C(C)(C)C WXVL_AK00442SB0078 [0,1,1,0,0,0|2,0,0]=4 112 B7R0.14 CNC(=O)C(C)(C)F WXVL_AK00442SB0199 [0,1,1,0,0,0|2,0,0]=4 113 B7R0.14 CNC(=O)C(C)(C)F WXVL_AK00442SB0199 [0,1,1,0,0,0|2,0,0]=4 114 B7R0.14 CNC(=O)C(C)(C)O WXVL_AK00442SB0125 [0,1,1,0,0,0|2,0,0]=4 115 B7R0.14 CNC(=O)C(C)(C)O WXVL_AK00442SB0125 [0,1,1,0,0,0|2,0,0]=4 116 B7R0.14 CNC(=O)C(C)(F)F WXVL_AK00442SB0197 [0,1,1,0,0,0|2,0,0]=4 117 B7R0.14 CNC(=O)C(C)(F)F WXVL_AK00442SB0197 [0,1,1,0,0,0|2,0,0]=4 118 B7R0.15 CCC(CC)C(=O)N WXVL_AK0084SB0055 [0,1,1,0,0,0|2,0,0]=4 119 B7R0.15 CCC(CC)C(=O)N WXVL_AK0084SB0055 [0,1,1,0,0,0|2,0,0]=4 120 B7R0.16 CC(C)C(=O)N(C)C WXVL_AN0032SB0052 [0,1,1,0,0,0|2,0,0]=4 121 B7R0.16 CC(C)C(=O)N(C)C WXVL_AN0032SB0052 [0,1,1,0,0,0|2,0,0]=4 122 B7R0.16 CC(C)C(O)C(=O)N WXVL_AK0084SB1147 [0,1,1,0,0,0|2,0,0]=4 123 B7R0.16 CC(C)C(O)C(=O)N WXVL_AK0084SB1147 [0,1,1,0,0,0|2,0,0]=4 124 B7R0.16 CC(S)C(=O)N(C)C WXVL_AN0032SB2708 [0,1,1,0,0,0|2,0,0]=4 125 B7R0.16 CC(S)C(=O)N(C)C WXVL_AN0032SB2708 [0,1,1,0,0,0|2,0,0]=4 126 B7R0.16 C[C@@H](O)C(=O)N(C)C WXVL_AN0032SB1085 [0,1,1,0,0,0|2,0,0]=4 127 B7R0.16 C[C@@H](O)C(=O)N(C)C WXVL_AN0032SB1085 [0,1,1,0,0,0|2,0,0]=4 128 B7R0.4 CC(=O)NCCCO WXVL_AK0073SB0150 [0,1,1,0,0,0|2,0,0]=4 129 B7R0.4 CC(=O)NCCCO WXVL_AK0073SB0150 [0,1,1,0,0,0|2,0,0]=4 130 B7R0.4 CCCCNC(=O)C WXVL_AK00588SB0150 [0,1,1,0,0,0|2,0,0]=4 131 B7R0.4 CCCCNC(=O)C WXVL_AK00588SB0150 [0,1,1,0,0,0|2,0,0]=4 132 B7R1.12 CC1CC1C(=O)N WXVL_AK0084SB0041 [0,0,1,1,0,0|2,0,0]=4 133 B7R1.12 CC1CC1C(=O)N WXVL_AK0084SB0041 [0,0,1,1,0,0|2,0,0]=4 134 B7R1.12 NC(=O)[C@@H]1C[C@@H]1F WXVL_AK0084SB1245 [0,0,1,1,0,0|2,0,0]=4 135 B7R1.12 NC(=O)[C@@H]1C[C@@H]1F WXVL_AK0084SB1245 [0,0,1,1,0,0|2,0,0]=4 136 B7R1.12 NC(=O)[C@H]1C[C@H]1F WXVL_AK0084SB00019 [0,0,1,1,0,0|2,0,0]=4 137 B7R1.12 NC(=O)[C@H]1C[C@H]1F WXVL_AK0084SB00019 [0,0,1,1,0,0|2,0,0]=4 138 B7R1.18 NC(=O)C1CCC1 WXVL_AK0084SB0042 [0,0,1,1,0,0|2,0,0]=4 139 B7R1.18 NC(=O)C1CCC1 WXVL_AK0084SB0042 [0,0,1,1,0,0|2,0,0]=4 140 B7R1.19 CC1(CC1)C(=O)N WXVL_AK0084SB0040 [0,0,1,1,0,0|2,0,0]=4 141 B7R1.19 CC1(CC1)C(=O)N WXVL_AK0084SB0040 [0,0,1,1,0,0|2,0,0]=4 142 B7R1.19 NC(=O)C1(CC1)Br WXVL_AK0084SB5517 [0,0,1,1,0,0|2,0,0]=4 143 B7R1.19 NC(=O)C1(CC1)Br WXVL_AK0084SB5517 [0,0,1,1,0,0|2,0,0]=4 144 B7R1.19 NC(=O)C1(CC1)F WXVL_AK0084SB0218 [0,0,1,1,0,0|2,0,0]=4 145 B7R1.19 NC(=O)C1(CC1)F WXVL_AK0084SB0218 [0,0,1,1,0,0|2,0,0]=4 146 B7R1.19 NC(=O)C1(CC1)O WXVL_AK0084SB2965 [0,0,1,1,0,0|2,0,0]=4 147 B7R1.19 NC(=O)C1(CC1)O WXVL_AK0084SB2965 [0,0,1,1,0,0|2,0,0]=4