0 B7R0.3 C#CCCC(=O)NC WXVL_AK00442SB2189 [0,0,0,0,0,0|1,0,3]=4 1 B7R0.3 C#CCCC(=O)NC WXVL_AK00442SB2189 [0,0,0,0,0,0|1,0,3]=4 2 B7R0.3 C=CCCC(=O)NC WXVL_AK00442SB1035 [0,0,0,0,0,0|1,0,3]=4 3 B7R0.3 C=CCCC(=O)NC WXVL_AK00442SB1035 [0,0,0,0,0,0|1,0,3]=4 4 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.3 CCOCC(=O)NC WXVL_AK00442SB0091 [0,0,0,0,0,0|2,0,1]=3 7 B7R0.3 CCOCC(=O)NC WXVL_AK00442SB0091 [0,0,0,0,0,0|2,0,1]=3 8 B7R0.3 CCSCC(=O)NC WXVL_AK00442SB0002 [0,0,0,0,0,0|2,0,1]=3 9 B7R0.3 CCSCC(=O)NC WXVL_AK00442SB0002 [0,0,0,0,0,0|2,0,1]=3 10 B7R0.3 CNC(=O)/C=C/CBr WXVL_AK00442SB0424 [0,0,0,0,0,0|2,0,0]=2 11 B7R0.3 CNC(=O)/C=C/CBr WXVL_AK00442SB0424 [0,0,0,0,0,0|2,0,0]=2 12 B7R0.3 CNC(=O)CCOC WXVL_AK00442SB0156 [0,0,0,0,0,0|0,1,2]=3 13 B7R0.3 CNC(=O)CCOC WXVL_AK00442SB0156 [0,0,0,0,0,0|0,1,2]=3 14 B7R0.3 CNC(=O)CCSC WXVL_AK00442SB0361 [0,0,0,0,0,0|0,0,2]=2 15 B7R0.3 CNC(=O)CCSC WXVL_AK00442SB0361 [0,0,0,0,0,0|0,0,2]=2 16 B7R0.3 CNC(=O)NCCCl WXVL_AK00442YV0092 [0,0,0,0,0,0|3,0,1]=4 17 B7R0.3 CNC(=O)NCCCl WXVL_AK00442YV0092 [0,0,0,0,0,0|3,0,1]=4 18 B6R0.1 C#CCC(=O)NC WXVL_AK00442SB3070 [1,0,0,0,0,0|0,0,3]=4 19 B6R0.1 C#CCC(=O)NC WXVL_AK00442SB3070 [1,0,0,0,0,0|0,0,3]=4 20 B6R0.1 C/C=C/C(=O)NC WXVL_AK00442SB0340 [1,0,0,0,0,0|0,0,0]=1 21 B6R0.1 C/C=C/C(=O)NC WXVL_AK00442SB0340 [1,0,0,0,0,0|0,0,0]=1 22 B6R0.1 C=CCC(=O)NC WXVL_AK00442SB2732 [1,0,0,0,0,0|0,0,2]=3 23 B6R0.1 C=CCC(=O)NC WXVL_AK00442SB2732 [1,0,0,0,0,0|0,0,2]=3 24 B6R0.1 CC#CC(=O)NC WXVL_AK00442SB1240 [1,0,0,0,0,0|0,0,2]=3 25 B6R0.1 CC#CC(=O)NC WXVL_AK00442SB1240 [1,0,0,0,0,0|0,0,2]=3 26 B6R0.1 CCCC(=O)NC WXVL_AK00442SB0073 [1,0,0,0,0,0|0,0,2]=3 27 B6R0.1 CCCC(=O)NC WXVL_AK00442SB0073 [1,0,0,0,0,0|0,0,2]=3 28 B6R0.1 CCNC(=O)CC WXVL_AK00476SB0064 [1,0,0,0,0,0|2,0,1]=4 29 B6R0.1 CCNC(=O)CC WXVL_AK00476SB0064 [1,0,0,0,0,0|2,0,1]=4 30 B6R0.1 CNC(=O)CC#N WXVL_AK00442SB0057 [1,0,0,0,0,0|1,0,2]=4 31 B6R0.1 CNC(=O)CC#N WXVL_AK00442SB0057 [1,0,0,0,0,0|1,0,2]=4 32 B6R0.1 CNC(=O)COC WXVL_AK00442SB0090 [1,0,0,0,0,0|0,1,1]=3 33 B6R0.1 CNC(=O)COC WXVL_AK00442SB0090 [1,0,0,0,0,0|0,1,1]=3 34 B6R0.1 CNC(=O)CSC WXVL_AK00442SB1267 [1,0,0,0,0,0|0,0,1]=2 35 B6R0.1 CNC(=O)CSC WXVL_AK00442SB1267 [1,0,0,0,0,0|0,0,1]=2 36 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [1,0,0,0,0,0|2,0,1]=4 37 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [1,0,0,0,0,0|2,0,1]=4 38 B6R0.4 CCOCC(=O)N WXVL_AK0084SB0091 [1,0,0,0,0,0|2,0,1]=4 39 B6R0.4 CCOCC(=O)N WXVL_AK0084SB0091 [1,0,0,0,0,0|2,0,1]=4 40 B6R0.4 CCSCC(=O)N WXVL_AK0084SB0002 [1,0,0,0,0,0|2,0,1]=4 41 B6R0.4 CCSCC(=O)N WXVL_AK0084SB0002 [1,0,0,0,0,0|2,0,1]=4 42 B6R0.4 COCCC(=O)N WXVL_AK0084SB0156 [1,0,0,0,0,0|0,1,2]=4 43 B6R0.4 COCCC(=O)N WXVL_AK0084SB0156 [1,0,0,0,0,0|0,1,2]=4 44 B6R0.4 CSCCC(=O)N WXVL_AK0084SB0361 [1,0,0,0,0,0|0,0,2]=3 45 B6R0.4 CSCCC(=O)N WXVL_AK0084SB0361 [1,0,0,0,0,0|0,0,2]=3 46 B6R0.4 NC(=O)/C=C/CBr WXVL_AK0084SB0424 [1,0,0,0,0,0|2,0,0]=3 47 B6R0.4 NC(=O)/C=C/CBr WXVL_AK0084SB0424 [1,0,0,0,0,0|2,0,0]=3 48 B8R0.1 CCNC(=O)/C=C/CBr WXVL_AK00476SB0424 [0,1,0,0,0,0|2,0,0]=3 49 B8R0.1 CCNC(=O)/C=C/CBr WXVL_AK00476SB0424 [0,1,0,0,0,0|2,0,0]=3 50 B8R0.1 CCNC(=O)CCOC WXVL_AK00476SB0156 [0,1,0,0,0,0|0,1,2]=4 51 B8R0.1 CCNC(=O)CCOC WXVL_AK00476SB0156 [0,1,0,0,0,0|0,1,2]=4 52 B8R0.1 CCNC(=O)CCSC WXVL_AK00476SB0361 [0,1,0,0,0,0|0,0,2]=3 53 B8R0.1 CCNC(=O)CCSC WXVL_AK00476SB0361 [0,1,0,0,0,0|0,0,2]=3 54 B8R0.1 CCNC(=O)COCC WXVL_AK00476SB0091 [0,1,0,0,0,0|2,0,1]=4 55 B8R0.1 CCNC(=O)COCC WXVL_AK00476SB0091 [0,1,0,0,0,0|2,0,1]=4 56 B8R0.1 CCNC(=O)CSCC WXVL_AK00476SB0002 [0,1,0,0,0,0|2,0,1]=4 57 B8R0.1 CCNC(=O)CSCC WXVL_AK00476SB0002 [0,1,0,0,0,0|2,0,1]=4 58 B8R0.3 CC/C=C(\C)/C(=O)NC WXVL_AK00442SB0037 [0,1,0,0,0,0|1,0,0]=2 59 B8R0.3 CC/C=C(\C)/C(=O)NC WXVL_AK00442SB0037 [0,1,0,0,0,0|1,0,0]=2 60 B8R0.3 CCCC(C)C(=O)NC WXVL_AK00442SB0352 [0,1,0,0,0,0|1,0,2]=4 61 B8R0.3 CCCC(C)C(=O)NC WXVL_AK00442SB0352 [0,1,0,0,0,0|1,0,2]=4 62 B8R0.3 CCC[C@H](O)C(=O)NC WXVL_AK00442SB3627 [0,1,0,0,0,0|1,0,2]=4 63 B8R0.3 CCC[C@H](O)C(=O)NC WXVL_AK00442SB3627 [0,1,0,0,0,0|1,0,2]=4 64 B8R0.3 CCNC(=O)C(=O)CC WXVL_AK00476SB0344 [0,1,0,0,0,0|3,0,0]=4 65 B8R0.3 CCNC(=O)C(=O)CC WXVL_AK00476SB0344 [0,1,0,0,0,0|3,0,0]=4 66 B8R0.3 CCOC(=O)C(=O)NC WXVL_AK00442SB4144 [0,1,0,0,0,0|2,0,0]=3 67 B8R0.3 CCOC(=O)C(=O)NC WXVL_AK00442SB4144 [0,1,0,0,0,0|2,0,0]=3 68 B8R0.6 C/C=C/C=C/C(=O)NC WXVL_AK00442SB0348 [0,1,0,0,0,0|1,0,0]=2 69 B8R0.6 C/C=C/C=C/C(=O)NC WXVL_AK00442SB0348 [0,1,0,0,0,0|1,0,0]=2 70 B8R0.6 CC/C=C/CC(=O)NC WXVL_AK00442SB0349 [0,1,0,0,0,0|1,0,0]=2 71 B8R0.6 CC/C=C/CC(=O)NC WXVL_AK00442SB0349 [0,1,0,0,0,0|1,0,0]=2 72 B8R0.6 CCC(=O)NCCSC WXVL_AK00440SB0064 [0,1,0,0,0,0|1,0,2]=4 73 B8R0.6 CCC(=O)NCCSC WXVL_AK00440SB0064 [0,1,0,0,0,0|1,0,2]=4 74 B8R0.6 CCO/C=C/C(=O)NC WXVL_AK00442SB3226 [0,1,0,0,0,0|0,1,0]=2 75 B8R0.6 CCO/C=C/C(=O)NC WXVL_AK00442SB3226 [0,1,0,0,0,0|0,1,0]=2 76 B8R0.6 CNC(=O)CCCCBr WXVL_AK00442SB3153 [0,1,0,0,0,0|1,0,2]=4 77 B8R0.6 CNC(=O)CCCCBr WXVL_AK00442SB3153 [0,1,0,0,0,0|1,0,2]=4 78 B8R0.6 CNC(=O)CCCCCl WXVL_AK00442SB0379 [0,1,0,0,0,0|1,0,2]=4 79 B8R0.6 CNC(=O)CCCCCl WXVL_AK00442SB0379 [0,1,0,0,0,0|1,0,2]=4 80 B8R0.6 CNC(=O)NCCCCl WXVL_AK00442YV0130 [0,1,0,0,0,0|2,0,1]=4 81 B8R0.6 CNC(=O)NCCCCl WXVL_AK00442YV0130 [0,1,0,0,0,0|2,0,1]=4 82 B8R0.8 CCOCC(=O)N(C)C WXVL_AN0032SB0091 [0,1,0,0,0,0|2,0,1]=4 83 B8R0.8 CCOCC(=O)N(C)C WXVL_AN0032SB0091 [0,1,0,0,0,0|2,0,1]=4 84 B8R0.8 CCSCC(=O)N(C)C WXVL_AN0032SB0002 [0,1,0,0,0,0|2,0,1]=4 85 B8R0.8 CCSCC(=O)N(C)C WXVL_AN0032SB0002 [0,1,0,0,0,0|2,0,1]=4 86 B8R0.8 CN(C)C(=O)/C=C/CBr WXVL_AN0032SB0424 [0,1,0,0,0,0|2,0,0]=3 87 B8R0.8 CN(C)C(=O)/C=C/CBr WXVL_AN0032SB0424 [0,1,0,0,0,0|2,0,0]=3 88 B8R0.8 COCCC(=O)N(C)C WXVL_AN0032SB0156 [0,1,0,0,0,0|0,1,2]=4 89 B8R0.8 COCCC(=O)N(C)C WXVL_AN0032SB0156 [0,1,0,0,0,0|0,1,2]=4 90 B8R0.8 CSCCC(=O)N(C)C WXVL_AN0032SB0361 [0,1,0,0,0,0|0,0,2]=3 91 B8R0.8 CSCCC(=O)N(C)C WXVL_AN0032SB0361 [0,1,0,0,0,0|0,0,2]=3 92 B8R0.9 CNC(=O)/C=C/C(C)C WXVL_AK00442SB0036 [0,1,0,0,0,0|1,0,0]=2 93 B8R0.9 CNC(=O)/C=C/C(C)C WXVL_AK00442SB0036 [0,1,0,0,0,0|1,0,0]=2 94 B8R0.9 CNC(=O)CCC(=O)C WXVL_AK00442SB0072 [0,1,0,0,0,0|1,0,2]=4 95 B8R0.9 CNC(=O)CCC(=O)C WXVL_AK00442SB0072 [0,1,0,0,0,0|1,0,2]=4 96 B8R0.9 CNC(=O)CCC(C)C WXVL_AK00442SB0354 [0,1,0,0,0,0|1,0,2]=4 97 B8R0.9 CNC(=O)CCC(C)C WXVL_AK00442SB0354 [0,1,0,0,0,0|1,0,2]=4 98 B8R0.9 CNC(=O)CCN(C)C WXVL_AK00442SB00052 [0,1,0,0,0,0|1,0,2]=4 99 B8R0.9 CNC(=O)CCN(C)C WXVL_AK00442SB00052 [0,1,0,0,0,0|1,0,2]=4 100 B8R0.9 CNC(=O)CNC(=O)C WXVL_AK00442SB0357 [0,1,0,0,0,0|2,0,1]=4 101 B8R0.9 CNC(=O)CNC(=O)C WXVL_AK00442SB0357 [0,1,0,0,0,0|2,0,1]=4 102 B8R0.9 CNC(=O)CNC(=O)C WXVL_AK1222SB0150 [0,1,0,0,0,0|2,0,1]=4 103 B8R0.9 CNC(=O)CNC(=O)C WXVL_AK1222SB0150 [0,1,0,0,0,0|2,0,1]=4 104 B8R0.9 CNC(=O)COC(=O)C WXVL_AK00442SB2824 [0,1,0,0,0,0|2,0,1]=4 105 B8R0.9 CNC(=O)COC(=O)C WXVL_AK00442SB2824 [0,1,0,0,0,0|2,0,1]=4 106 B8R0.9 CNC(=O)COC(C)C WXVL_AK00442SB0213 [0,1,0,0,0,0|2,0,1]=4 107 B8R0.9 CNC(=O)COC(C)C WXVL_AK00442SB0213 [0,1,0,0,0,0|2,0,1]=4 108 B8R0.9 CNC(=O)CSC(=O)C WXVL_AK00442SB3992 [0,1,0,0,0,0|2,0,1]=4 109 B8R0.9 CNC(=O)CSC(=O)C WXVL_AK00442SB3992 [0,1,0,0,0,0|2,0,1]=4 110 B8R0.19 CCC(C)CC(=O)NC WXVL_AK00442SB0353 [0,1,0,0,0,0|1,0,2]=4 111 B8R0.19 CCC(C)CC(=O)NC WXVL_AK00442SB0353 [0,1,0,0,0,0|1,0,2]=4 112 B8R0.19 CCC(O)CC(=O)NC WXVL_AK00442SB4092 [0,1,0,0,0,0|1,0,2]=4 113 B8R0.19 CCC(O)CC(=O)NC WXVL_AK00442SB4092 [0,1,0,0,0,0|1,0,2]=4 114 B8R0.19 CC[C@@H](C)CC(=O)NC WXVL_AK00442SB8650 [0,1,0,0,0,0|1,0,2]=4 115 B8R0.19 CC[C@@H](C)CC(=O)NC WXVL_AK00442SB8650 [0,1,0,0,0,0|1,0,2]=4 116 B8R0.19 CNC(=O)CC(=O)OC WXVL_AK00442SB2790 [0,1,0,0,0,0|0,1,1]=3 117 B8R0.19 CNC(=O)CC(=O)OC WXVL_AK00442SB2790 [0,1,0,0,0,0|0,1,1]=3 118 B8R1.2 CNc1ccncn1 WXVL_AK00442LP3358 [0,0,0,1,0,0|2,0,1]=4 119 B8R1.2 CNc1ccncn1 WXVL_AK00442LP3358 [0,0,0,1,0,0|2,0,1]=4 120 B8R1.38 CNC(=O)C1CCC1 WXVL_AK00442SB0042 [0,0,0,1,0,0|1,0,2]=4 121 B8R1.38 CNC(=O)C1CCC1 WXVL_AK00442SB0042 [0,0,0,1,0,0|1,0,2]=4 122 B8R1.40 CNC(=O)CC1CC1 WXVL_AK00442SB0155 [0,0,0,1,0,0|1,0,2]=4 123 B8R1.40 CNC(=O)CC1CC1 WXVL_AK00442SB0155 [0,0,0,1,0,0|1,0,2]=4 124 B8R1.83 CNC(=O)C1CC1C WXVL_AK00442SB0041 [0,0,0,1,0,0|1,0,2]=4 125 B8R1.83 CNC(=O)C1CC1C WXVL_AK00442SB0041 [0,0,0,1,0,0|1,0,2]=4 126 B5R0.1 C/C=C/C(=O)N WXVL_AK0084SB0340 [2,0,0,0,0,0|0,0,0]=2 127 B5R0.1 C/C=C/C(=O)N WXVL_AK0084SB0340 [2,0,0,0,0,0|0,0,0]=2 128 B5R0.1 C=CCC(=O)N WXVL_AK0084SB2732 [2,0,0,0,0,0|0,0,2]=4 129 B5R0.1 C=CCC(=O)N WXVL_AK0084SB2732 [2,0,0,0,0,0|0,0,2]=4 130 B5R0.1 CC#CC(=O)N WXVL_AK0084SB1240 [2,0,0,0,0,0|0,0,2]=4 131 B5R0.1 CC#CC(=O)N WXVL_AK0084SB1240 [2,0,0,0,0,0|0,0,2]=4 132 B5R0.1 CCCC(=O)N WXVL_AK0084SB0073 [2,0,0,0,0,0|0,0,2]=4 133 B5R0.1 CCCC(=O)N WXVL_AK0084SB0073 [2,0,0,0,0,0|0,0,2]=4 134 B5R0.1 CCNC(=O)C WXVL_AK00476SB0150 [2,0,0,0,0,0|1,0,1]=4 135 B5R0.1 CCNC(=O)C WXVL_AK00476SB0150 [2,0,0,0,0,0|1,0,1]=4 136 B5R0.1 COCC(=O)N WXVL_AK0084SB0090 [2,0,0,0,0,0|0,1,1]=4 137 B5R0.1 COCC(=O)N WXVL_AK0084SB0090 [2,0,0,0,0,0|0,1,1]=4 138 B5R0.1 CSCC(=O)N WXVL_AK0084SB1267 [2,0,0,0,0,0|0,0,1]=3 139 B5R0.1 CSCC(=O)N WXVL_AK0084SB1267 [2,0,0,0,0,0|0,0,1]=3 140 B5R0.3 C#CC(=O)NC WXVL_AK00442SB0338 [2,0,0,0,0,0|0,0,2]=4 141 B5R0.3 C#CC(=O)NC WXVL_AK00442SB0338 [2,0,0,0,0,0|0,0,2]=4 142 B5R0.3 CCC(=O)NC WXVL_AK00442SB0064 [2,0,0,0,0,0|0,0,1]=3 143 B5R0.3 CCC(=O)NC WXVL_AK00442SB0064 [2,0,0,0,0,0|0,0,1]=3 144 B5R0.3 CNC(=O)CO WXVL_AK00442SB2706 [2,0,0,0,0,0|0,1,1]=4 145 B5R0.3 CNC(=O)CO WXVL_AK00442SB2706 [2,0,0,0,0,0|0,1,1]=4 146 B7R0.2 CNC(=O)C=C(C)C WXVL_AK00442SB0342 [1,1,0,0,0,0|0,0,0]=2 147 B7R0.2 CNC(=O)C=C(C)C WXVL_AK00442SB0342 [1,1,0,0,0,0|0,0,0]=2 148 B7R0.2 CNC(=O)CC(C)C WXVL_AK00442SB0063 [1,1,0,0,0,0|0,0,2]=4 149 B7R0.2 CNC(=O)CC(C)C WXVL_AK00442SB0063 [1,1,0,0,0,0|0,0,2]=4 150 B7R0.2 CNC(=O)CC(C)O WXVL_AK00442SB3643 [1,1,0,0,0,0|0,0,2]=4 151 B7R0.2 CNC(=O)CC(C)O WXVL_AK00442SB3643 [1,1,0,0,0,0|0,0,2]=4 152 B7R0.2 CNC(=O)CN(C)C WXVL_AK00442SB0085 [1,1,0,0,0,0|1,0,1]=4 153 B7R0.2 CNC(=O)CN(C)C WXVL_AK00442SB0085 [1,1,0,0,0,0|1,0,1]=4 154 B7R0.5 C/C=C/C(=O)N(C)C WXVL_AN0032SB0340 [1,1,0,0,0,0|0,0,0]=2 155 B7R0.5 C/C=C/C(=O)N(C)C WXVL_AN0032SB0340 [1,1,0,0,0,0|0,0,0]=2 156 B7R0.5 C=CCC(=O)N(C)C WXVL_AN0032SB2732 [1,1,0,0,0,0|0,0,2]=4 157 B7R0.5 C=CCC(=O)N(C)C WXVL_AN0032SB2732 [1,1,0,0,0,0|0,0,2]=4 158 B7R0.5 CC#CC(=O)N(C)C WXVL_AN0032SB1240 [1,1,0,0,0,0|0,0,2]=4 159 B7R0.5 CC#CC(=O)N(C)C WXVL_AN0032SB1240 [1,1,0,0,0,0|0,0,2]=4 160 B7R0.5 CCCC(=O)N(C)C WXVL_AN0032SB0073 [1,1,0,0,0,0|0,0,2]=4 161 B7R0.5 CCCC(=O)N(C)C WXVL_AN0032SB0073 [1,1,0,0,0,0|0,0,2]=4 162 B7R0.5 COCC(=O)N(C)C WXVL_AN0032SB0090 [1,1,0,0,0,0|0,1,1]=4 163 B7R0.5 COCC(=O)N(C)C WXVL_AN0032SB0090 [1,1,0,0,0,0|0,1,1]=4 164 B7R0.5 CSCC(=O)N(C)C WXVL_AN0032SB1267 [1,1,0,0,0,0|0,0,1]=3 165 B7R0.5 CSCC(=O)N(C)C WXVL_AN0032SB1267 [1,1,0,0,0,0|0,0,1]=3 166 B7R0.7 C/C=C/C(=O)NCC WXVL_AK00476SB0340 [1,1,0,0,0,0|0,0,0]=2 167 B7R0.7 C/C=C/C(=O)NCC WXVL_AK00476SB0340 [1,1,0,0,0,0|0,0,0]=2 168 B7R0.7 C=CCC(=O)NCC WXVL_AK00476SB2732 [1,1,0,0,0,0|0,0,2]=4 169 B7R0.7 C=CCC(=O)NCC WXVL_AK00476SB2732 [1,1,0,0,0,0|0,0,2]=4 170 B7R0.7 CC#CC(=O)NCC WXVL_AK00476SB1240 [1,1,0,0,0,0|0,0,2]=4 171 B7R0.7 CC#CC(=O)NCC WXVL_AK00476SB1240 [1,1,0,0,0,0|0,0,2]=4 172 B7R0.7 CCCC(=O)NCC WXVL_AK00476SB0073 [1,1,0,0,0,0|0,0,2]=4 173 B7R0.7 CCCC(=O)NCC WXVL_AK00476SB0073 [1,1,0,0,0,0|0,0,2]=4 174 B7R0.7 CCNC(=O)COC WXVL_AK00476SB0090 [1,1,0,0,0,0|0,1,1]=4 175 B7R0.7 CCNC(=O)COC WXVL_AK00476SB0090 [1,1,0,0,0,0|0,1,1]=4 176 B7R0.7 CCNC(=O)CSC WXVL_AK00476SB1267 [1,1,0,0,0,0|0,0,1]=3 177 B7R0.7 CCNC(=O)CSC WXVL_AK00476SB1267 [1,1,0,0,0,0|0,0,1]=3 178 B7R0.10 C/C=C(\C)/C(=O)NC WXVL_AK00442SB0343 [1,1,0,0,0,0|0,0,0]=2 179 B7R0.10 C/C=C(\C)/C(=O)NC WXVL_AK00442SB0343 [1,1,0,0,0,0|0,0,0]=2 180 B7R0.10 CCC(=O)C(=O)NC WXVL_AK00442SB0344 [1,1,0,0,0,0|0,0,1]=3 181 B7R0.10 CCC(=O)C(=O)NC WXVL_AK00442SB0344 [1,1,0,0,0,0|0,0,1]=3 182 B7R0.10 CCC(C)C(=O)NC WXVL_AK00442SB0054 [1,1,0,0,0,0|0,0,2]=4 183 B7R0.10 CCC(C)C(=O)NC WXVL_AK00442SB0054 [1,1,0,0,0,0|0,0,2]=4 184 B7R0.10 CC[C@@H](C)C(=O)NC WXVL_AK00442SB00054 [1,1,0,0,0,0|0,0,2]=4 185 B7R0.10 CC[C@@H](C)C(=O)NC WXVL_AK00442SB00054 [1,1,0,0,0,0|0,0,2]=4 186 B7R0.10 CC[C@H](O)C(=O)NC WXVL_AK00442SB3573 [1,1,0,0,0,0|0,0,2]=4 187 B7R0.10 CC[C@H](O)C(=O)NC WXVL_AK00442SB3573 [1,1,0,0,0,0|0,0,2]=4 188 B7R0.10 CNC(=O)[C@@H](C)OC WXVL_AK00442SB2926 [1,1,0,0,0,0|0,1,1]=4 189 B7R0.10 CNC(=O)[C@@H](C)OC WXVL_AK00442SB2926 [1,1,0,0,0,0|0,1,1]=4 190 B7R0.4 C/C=C/C=C/C(=O)N WXVL_AK0084SB0348 [1,1,0,0,0,0|1,0,0]=3 191 B7R0.4 C/C=C/C=C/C(=O)N WXVL_AK0084SB0348 [1,1,0,0,0,0|1,0,0]=3 192 B7R0.4 CC/C=C/CC(=O)N WXVL_AK0084SB0349 [1,1,0,0,0,0|1,0,0]=3 193 B7R0.4 CC/C=C/CC(=O)N WXVL_AK0084SB0349 [1,1,0,0,0,0|1,0,0]=3 194 B7R0.4 CCO/C=C/C(=O)N WXVL_AK0084SB3226 [1,1,0,0,0,0|0,1,0]=3 195 B7R0.4 CCO/C=C/C(=O)N WXVL_AK0084SB3226 [1,1,0,0,0,0|0,1,0]=3 196 B7R0.4 CSCCNC(=O)C WXVL_AK00440SB0150 [1,1,0,0,0,0|0,0,2]=4 197 B7R0.4 CSCCNC(=O)C WXVL_AK00440SB0150 [1,1,0,0,0,0|0,0,2]=4 198 B7R0.6 CC(C)/C=C/C(=O)N WXVL_AK0084SB0036 [1,1,0,0,0,0|1,0,0]=3 199 B7R0.6 CC(C)/C=C/C(=O)N WXVL_AK0084SB0036 [1,1,0,0,0,0|1,0,0]=3 200 B9R0.4 CC(C)NC(=O)/C=C/CBr WXVL_AK0030SB0424 [0,2,0,0,0,0|2,0,0]=4 201 B9R0.4 CC(C)NC(=O)/C=C/CBr WXVL_AK0030SB0424 [0,2,0,0,0,0|2,0,0]=4 202 B9R0.4 CSCCC(=O)NC(C)C WXVL_AK0030SB0361 [0,2,0,0,0,0|0,0,2]=4 203 B9R0.4 CSCCC(=O)NC(C)C WXVL_AK0030SB0361 [0,2,0,0,0,0|0,0,2]=4 204 B9R0.5 C/C=C/C=C/C(=O)NCC WXVL_AK00476SB0348 [0,2,0,0,0,0|1,0,0]=3 205 B9R0.5 C/C=C/C=C/C(=O)NCC WXVL_AK00476SB0348 [0,2,0,0,0,0|1,0,0]=3 206 B9R0.5 CC/C=C/CC(=O)NCC WXVL_AK00476SB0349 [0,2,0,0,0,0|1,0,0]=3 207 B9R0.5 CC/C=C/CC(=O)NCC WXVL_AK00476SB0349 [0,2,0,0,0,0|1,0,0]=3 208 B9R0.5 CCNC(=O)/C=C/OCC WXVL_AK00476SB3226 [0,2,0,0,0,0|0,1,0]=3 209 B9R0.5 CCNC(=O)/C=C/OCC WXVL_AK00476SB3226 [0,2,0,0,0,0|0,1,0]=3 210 B9R0.18 C=CCNC(=O)/C=C/CBr WXVL_AK00561SB0424 [0,2,0,0,0,0|2,0,0]=4 211 B9R0.18 C=CCNC(=O)/C=C/CBr WXVL_AK00561SB0424 [0,2,0,0,0,0|2,0,0]=4 212 B9R0.18 C=CCNC(=O)CCSC WXVL_AK00561SB0361 [0,2,0,0,0,0|0,0,2]=4 213 B9R0.18 C=CCNC(=O)CCSC WXVL_AK00561SB0361 [0,2,0,0,0,0|0,0,2]=4 214 B9R0.18 CCCNC(=O)/C=C/CBr WXVL_AK00504SB0424 [0,2,0,0,0,0|2,0,0]=4 215 B9R0.18 CCCNC(=O)/C=C/CBr WXVL_AK00504SB0424 [0,2,0,0,0,0|2,0,0]=4 216 B9R0.18 CCCNC(=O)CCSC WXVL_AK00504SB0361 [0,2,0,0,0,0|0,0,2]=4 217 B9R0.18 CCCNC(=O)CCSC WXVL_AK00504SB0361 [0,2,0,0,0,0|0,0,2]=4 218 B9R0.18 CSCCC(=O)NCC#N WXVL_AK0683SB0361 [0,2,0,0,0,0|0,0,2]=4 219 B9R0.18 CSCCC(=O)NCC#N WXVL_AK0683SB0361 [0,2,0,0,0,0|0,0,2]=4 220 B9R0.18 CSCCC(=O)NCCF WXVL_AK00466SB0361 [0,2,0,0,0,0|0,0,2]=4 221 B9R0.18 CSCCC(=O)NCCF WXVL_AK00466SB0361 [0,2,0,0,0,0|0,0,2]=4 222 B9R0.18 N#CCNC(=O)/C=C/CBr WXVL_AK0683SB0424 [0,2,0,0,0,0|2,0,0]=4 223 B9R0.18 N#CCNC(=O)/C=C/CBr WXVL_AK0683SB0424 [0,2,0,0,0,0|2,0,0]=4 224 B9R0.18 O=C(/C=C/CBr)NCCF WXVL_AK00466SB0424 [0,2,0,0,0,0|2,0,0]=4 225 B9R0.18 O=C(/C=C/CBr)NCCF WXVL_AK00466SB0424 [0,2,0,0,0,0|2,0,0]=4 226 B9R0.34 CCNC(=O)CC(=O)OC WXVL_AK00476SB2790 [0,2,0,0,0,0|0,1,1]=4 227 B9R0.34 CCNC(=O)CC(=O)OC WXVL_AK00476SB2790 [0,2,0,0,0,0|0,1,1]=4 228 B9R0.34 CCOC(=O)CC(=O)NC WXVL_AK00442SB3094 [0,2,0,0,0,0|0,1,1]=4 229 B9R0.34 CCOC(=O)CC(=O)NC WXVL_AK00442SB3094 [0,2,0,0,0,0|0,1,1]=4 230 B9R0.35 CC/C=C(\C)/C(=O)NCC WXVL_AK00476SB0037 [0,2,0,0,0,0|1,0,0]=3 231 B9R0.35 CC/C=C(\C)/C(=O)NCC WXVL_AK00476SB0037 [0,2,0,0,0,0|1,0,0]=3 232 B9R0.35 CCNC(=O)C(=O)OCC WXVL_AK00476SB4144 [0,2,0,0,0,0|2,0,0]=4 233 B9R0.35 CCNC(=O)C(=O)OCC WXVL_AK00476SB4144 [0,2,0,0,0,0|2,0,0]=4 234 B9R0.48 CCNC(=O)/C=C/C(C)C WXVL_AK00476SB0036 [0,2,0,0,0,0|1,0,0]=3 235 B9R0.48 CCNC(=O)/C=C/C(C)C WXVL_AK00476SB0036 [0,2,0,0,0,0|1,0,0]=3 236 B9R0.6 CC/C=C(\C)/C(=O)N(C)C WXVL_AN0032SB0037 [0,2,0,0,0,0|1,0,0]=3 237 B9R0.6 CC/C=C(\C)/C(=O)N(C)C WXVL_AN0032SB0037 [0,2,0,0,0,0|1,0,0]=3 238 B9R0.6 CCOC(=O)C(=O)N(C)C WXVL_AN0032SB4144 [0,2,0,0,0,0|2,0,0]=4 239 B9R0.6 CCOC(=O)C(=O)N(C)C WXVL_AN0032SB4144 [0,2,0,0,0,0|2,0,0]=4 240 B9R0.27 CNC(=O)C(C)C(=O)OC WXVL_AK00442SB5708 [0,2,0,0,0,0|0,1,1]=4 241 B9R0.27 CNC(=O)C(C)C(=O)OC WXVL_AK00442SB5708 [0,2,0,0,0,0|0,1,1]=4 242 B9R0.60 CNC(=O)C(C)(C)CSC WXVL_AK00442SBF473 [0,2,0,0,0,0|0,0,2]=4 243 B9R0.60 CNC(=O)C(C)(C)CSC WXVL_AK00442SBF473 [0,2,0,0,0,0|0,0,2]=4 244 B9R0.1 CNC(=O)CCC=C(C)C WXVL_AK00442SB00030 [0,2,0,0,0,0|1,0,1]=4 245 B9R0.1 CNC(=O)CCC=C(C)C WXVL_AK00442SB00030 [0,2,0,0,0,0|1,0,1]=4 246 B9R0.24 CCC(=O)NCC(=O)NC WXVL_AK1222SB0064 [0,2,0,0,0,0|1,0,1]=4 247 B9R0.24 CCC(=O)NCC(=O)NC WXVL_AK1222SB0064 [0,2,0,0,0,0|1,0,1]=4 248 B9R0.24 CNC(=O)CCC(=O)OC WXVL_AK00442SB0069 [0,2,0,0,0,0|0,1,1]=4 249 B9R0.24 CNC(=O)CCC(=O)OC WXVL_AK00442SB0069 [0,2,0,0,0,0|0,1,1]=4 250 B9R0.47 C/C=C/C=C/C(=O)N(C)C WXVL_AN0032SB0348 [0,2,0,0,0,0|1,0,0]=3 251 B9R0.47 C/C=C/C=C/C(=O)N(C)C WXVL_AN0032SB0348 [0,2,0,0,0,0|1,0,0]=3 252 B9R0.47 CC/C=C/CC(=O)N(C)C WXVL_AN0032SB0349 [0,2,0,0,0,0|1,0,0]=3 253 B9R0.47 CC/C=C/CC(=O)N(C)C WXVL_AN0032SB0349 [0,2,0,0,0,0|1,0,0]=3 254 B9R0.47 CCO/C=C/C(=O)N(C)C WXVL_AN0032SB3226 [0,2,0,0,0,0|0,1,0]=3 255 B9R0.47 CCO/C=C/C(=O)N(C)C WXVL_AN0032SB3226 [0,2,0,0,0,0|0,1,0]=3 256 B9R0.7 CC(C)/C=C/C(=O)N(C)C WXVL_AN0032SB0036 [0,2,0,0,0,0|1,0,0]=3 257 B9R0.7 CC(C)/C=C/C(=O)N(C)C WXVL_AN0032SB0036 [0,2,0,0,0,0|1,0,0]=3 258 B9R0.42 CNC(=O)/C=C(/C)\C(=O)O WXVL_AK00442SB2187 [0,2,0,0,0,0|2,0,0]=4 259 B9R0.42 CNC(=O)/C=C(/C)\C(=O)O WXVL_AK00442SB2187 [0,2,0,0,0,0|2,0,0]=4 260 B9R0.42 COC(=O)CC(=O)N(C)C WXVL_AN0032SB2790 [0,2,0,0,0,0|0,1,1]=4 261 B9R0.42 COC(=O)CC(=O)N(C)C WXVL_AN0032SB2790 [0,2,0,0,0,0|0,1,1]=4 262 B7R1.22 CNC(=O)C1CC1 WXVL_AK00442SB0038 [1,0,0,1,0,0|0,0,2]=4 263 B7R1.22 CNC(=O)C1CC1 WXVL_AK00442SB0038 [1,0,0,1,0,0|0,0,2]=4 264 B9R1.2 CNc1ccnc(n1)C WXVL_AK00442LP0556 [0,1,0,1,0,0|2,0,0]=4 265 B9R1.2 CNc1ccnc(n1)C WXVL_AK00442LP0556 [0,1,0,1,0,0|2,0,0]=4 266 B9R1.2 CNc1nccc(n1)C WXVL_AK00442LP0007 [0,1,0,1,0,0|2,0,0]=4 267 B9R1.2 CNc1nccc(n1)C WXVL_AK00442LP0007 [0,1,0,1,0,0|2,0,0]=4 268 B9R1.11 CNC(=O)c1c[nH]cn1 WXVL_AK00442SC0074 [0,1,0,1,0,0|1,0,1]=4 269 B9R1.11 CNC(=O)c1c[nH]cn1 WXVL_AK00442SC0074 [0,1,0,1,0,0|1,0,1]=4 270 B9R1.11 CNC(=O)c1cc[nH]c1 WXVL_AK00442SC0013 [0,1,0,1,0,0|1,0,1]=4 271 B9R1.11 CNC(=O)c1cc[nH]c1 WXVL_AK00442SC0013 [0,1,0,1,0,0|1,0,1]=4 272 B9R1.11 CNC(=O)c1cc[nH]n1 WXVL_AK00442SC0003 [0,1,0,1,0,0|2,0,0]=4 273 B9R1.11 CNC(=O)c1cc[nH]n1 WXVL_AK00442SC0003 [0,1,0,1,0,0|2,0,0]=4 274 B9R1.11 CNC(=O)c1ccco1 WXVL_AK00442SC0049 [0,1,0,1,0,0|1,0,1]=4 275 B9R1.11 CNC(=O)c1ccco1 WXVL_AK00442SC0049 [0,1,0,1,0,0|1,0,1]=4 276 B9R1.11 CNC(=O)c1cccs1 WXVL_AK00442SC0051 [0,1,0,1,0,0|1,0,1]=4 277 B9R1.11 CNC(=O)c1cccs1 WXVL_AK00442SC0051 [0,1,0,1,0,0|1,0,1]=4 278 B9R1.11 CNC(=O)c1ccno1 WXVL_AK00442SC0080 [0,1,0,1,0,0|2,0,0]=4 279 B9R1.11 CNC(=O)c1ccno1 WXVL_AK00442SC0080 [0,1,0,1,0,0|2,0,0]=4 280 B9R1.11 CNC(=O)c1ccns1 WXVL_AK00442SC0027 [0,1,0,1,0,0|2,0,0]=4 281 B9R1.11 CNC(=O)c1ccns1 WXVL_AK00442SC0027 [0,1,0,1,0,0|2,0,0]=4 282 B9R1.11 CNC(=O)c1ccoc1 WXVL_AK00442SC0050 [0,1,0,1,0,0|0,1,1]=4 283 B9R1.11 CNC(=O)c1ccoc1 WXVL_AK00442SC0050 [0,1,0,1,0,0|0,1,1]=4 284 B9R1.11 CNC(=O)c1ccon1 WXVL_AK00442SC0116 [0,1,0,1,0,0|1,1,0]=4 285 B9R1.11 CNC(=O)c1ccon1 WXVL_AK00442SC0116 [0,1,0,1,0,0|1,1,0]=4 286 B9R1.11 CNC(=O)c1ccsc1 WXVL_AK00442SC0054 [0,1,0,1,0,0|0,0,1]=3 287 B9R1.11 CNC(=O)c1ccsc1 WXVL_AK00442SC0054 [0,1,0,1,0,0|0,0,1]=3 288 B9R1.11 CNC(=O)c1ccsn1 WXVL_AK00442SC0764 [0,1,0,1,0,0|1,0,0]=3 289 B9R1.11 CNC(=O)c1ccsn1 WXVL_AK00442SC0764 [0,1,0,1,0,0|1,0,0]=3 290 B9R1.11 CNC(=O)c1cn[nH]c1 WXVL_AK00442SC0254 [0,1,0,1,0,0|1,0,1]=4 291 B9R1.11 CNC(=O)c1cn[nH]c1 WXVL_AK00442SC0254 [0,1,0,1,0,0|1,0,1]=4 292 B9R1.11 CNC(=O)c1cnc[nH]1 WXVL_AK00442SC0247 [0,1,0,1,0,0|1,0,1]=4 293 B9R1.11 CNC(=O)c1cnc[nH]1 WXVL_AK00442SC0247 [0,1,0,1,0,0|1,0,1]=4 294 B9R1.11 CNC(=O)c1cnco1 WXVL_AK00442SC0018 [0,1,0,1,0,0|1,0,1]=4 295 B9R1.11 CNC(=O)c1cnco1 WXVL_AK00442SC0018 [0,1,0,1,0,0|1,0,1]=4 296 B9R1.11 CNC(=O)c1cncs1 WXVL_AK00442SC0113 [0,1,0,1,0,0|1,0,1]=4 297 B9R1.11 CNC(=O)c1cncs1 WXVL_AK00442SC0113 [0,1,0,1,0,0|1,0,1]=4 298 B9R1.11 CNC(=O)c1cnon1 WXVL_AK00442SC0777 [0,1,0,1,0,0|1,1,0]=4 299 B9R1.11 CNC(=O)c1cnon1 WXVL_AK00442SC0777 [0,1,0,1,0,0|1,1,0]=4 300 B9R1.11 CNC(=O)c1cnsn1 WXVL_AK00442SC1291 [0,1,0,1,0,0|1,0,0]=3 301 B9R1.11 CNC(=O)c1cnsn1 WXVL_AK00442SC1291 [0,1,0,1,0,0|1,0,0]=3 302 B9R1.11 CNC(=O)c1cocn1 WXVL_AK00442SC0118 [0,1,0,1,0,0|0,1,1]=4 303 B9R1.11 CNC(=O)c1cocn1 WXVL_AK00442SC0118 [0,1,0,1,0,0|0,1,1]=4 304 B9R1.11 CNC(=O)c1cscn1 WXVL_AK00442SC0092 [0,1,0,1,0,0|0,0,1]=3 305 B9R1.11 CNC(=O)c1cscn1 WXVL_AK00442SC0092 [0,1,0,1,0,0|0,0,1]=3 306 B9R1.11 CNC(=O)c1csnn1 WXVL_AK00442SC0002 [0,1,0,1,0,0|1,0,0]=3 307 B9R1.11 CNC(=O)c1csnn1 WXVL_AK00442SC0002 [0,1,0,1,0,0|1,0,0]=3 308 B9R1.11 CNC(=O)c1nc[nH]n1 WXVL_AK00442SC0376 [0,1,0,1,0,0|2,0,0]=4 309 B9R1.11 CNC(=O)c1nc[nH]n1 WXVL_AK00442SC0376 [0,1,0,1,0,0|2,0,0]=4 310 B9R1.11 CNC(=O)c1nccs1 WXVL_AK00442SC0110 [0,1,0,1,0,0|2,0,0]=4 311 B9R1.11 CNC(=O)c1nccs1 WXVL_AK00442SC0110 [0,1,0,1,0,0|2,0,0]=4 312 B9R1.11 CNC(=O)c1nnc[nH]1 WXVL_AK00442SC00053 [0,1,0,1,0,0|2,0,0]=4 313 B9R1.11 CNC(=O)c1nnc[nH]1 WXVL_AK00442SC00053 [0,1,0,1,0,0|2,0,0]=4 314 B9R1.101 CNC(=O)C(=O)C1CC1 WXVL_AK00442SB3659 [0,1,0,1,0,0|1,0,1]=4 315 B9R1.101 CNC(=O)C(=O)C1CC1 WXVL_AK00442SB3659 [0,1,0,1,0,0|1,0,1]=4 316 B9R1.80 CNC(=O)C=CC1CC1 WXVL_AK00442SB4216 [0,1,0,1,0,0|1,0,0]=3 317 B9R1.80 CNC(=O)C=CC1CC1 WXVL_AK00442SB4216 [0,1,0,1,0,0|1,0,0]=3