0 B10R0.3 CC(=O)NCCN(C)CCN WXVL_AK4182SB0150 [0,0,0,0,0,0|4,0,0]=4 1 B10R0.3 CC(=O)NCCN(C)CCN WXVL_AK4182SB0150 [0,0,0,0,0,0|4,0,0]=4 2 B10R0.3 CCNC(=O)CCC=C(C)C WXVL_AK00476SB00030 [0,0,0,0,0,0|3,0,1]=4 3 B10R0.3 CCNC(=O)CCC=C(C)C WXVL_AK00476SB00030 [0,0,0,0,0,0|3,0,1]=4 4 B9R0.1 CC(=O)NCCC(C)CO WXVL_AK4143SB0150 [1,0,0,0,0,0|2,0,0]=3 5 B9R0.1 CC(=O)NCCC(C)CO WXVL_AK4143SB0150 [1,0,0,0,0,0|2,0,0]=3 6 B9R0.1 CNC(=O)CCC=C(C)C WXVL_AK00442SB00030 [1,0,0,0,0,0|2,0,1]=4 7 B9R0.1 CNC(=O)CCC=C(C)C WXVL_AK00442SB00030 [1,0,0,0,0,0|2,0,1]=4 8 B9R0.2 CC(=O)NCCCCCO WXVL_AK0077SB0150 [1,0,0,0,0,0|2,0,0]=3 9 B9R0.2 CC(=O)NCCCCCO WXVL_AK0077SB0150 [1,0,0,0,0,0|2,0,0]=3 10 B9R0.2 CC(=O)NCCNCCO WXVL_AK0954SB0150 [1,0,0,0,0,0|3,0,0]=4 11 B9R0.2 CC(=O)NCCNCCO WXVL_AK0954SB0150 [1,0,0,0,0,0|3,0,0]=4 12 B9R0.2 CCCCCCNC(=O)C WXVL_AK0286SB0150 [1,0,0,0,0,0|3,0,0]=4 13 B9R0.2 CCCCCCNC(=O)C WXVL_AK0286SB0150 [1,0,0,0,0,0|3,0,0]=4 14 B11R0.1 CC(=CC(=O)NC(C)CCO)C WXVL_AK1288SB0342 [0,1,0,0,0,0|1,0,1]=3 15 B11R0.1 CC(=CC(=O)NC(C)CCO)C WXVL_AK1288SB0342 [0,1,0,0,0,0|1,0,1]=3 16 B11R0.1 CCC[C@H](C)NC(=O)C=C(C)C WXVL_AK00682SB0342 [0,1,0,0,0,0|2,0,1]=4 17 B11R0.1 CCC[C@H](C)NC(=O)C=C(C)C WXVL_AK00682SB0342 [0,1,0,0,0,0|2,0,1]=4 18 B11R0.6 CC(=CCCC(C)CC(=O)N)C WXVL_AK0084SB3914 [0,1,0,0,0,0|0,0,2]=3 19 B11R0.6 CC(=CCCC(C)CC(=O)N)C WXVL_AK0084SB3914 [0,1,0,0,0,0|0,0,2]=3 20 B11R0.147 CC(=CCCC(=O)NCCF)C WXVL_AK00466SB00030 [0,1,0,0,0,0|2,0,1]=4 21 B11R0.147 CC(=CCCC(=O)NCCF)C WXVL_AK00466SB00030 [0,1,0,0,0,0|2,0,1]=4 22 B11R0.147 CCCNC(=O)CCC=C(C)C WXVL_AK00504SB00030 [0,1,0,0,0,0|2,0,1]=4 23 B11R0.147 CCCNC(=O)CCC=C(C)C WXVL_AK00504SB00030 [0,1,0,0,0,0|2,0,1]=4 24 B11R1.172 CC(=O)NCCC1CCCC1 WXVL_AK00531SB0150 [0,0,0,1,0,0|3,0,0]=4 25 B11R1.172 CC(=O)NCCC1CCCC1 WXVL_AK00531SB0150 [0,0,0,1,0,0|3,0,0]=4 26 B11R1.565 CC(=O)N1CCCC(CC1)C WXVL_AN00326SB0150 [0,0,0,1,0,0|3,0,0]=4 27 B11R1.565 CC(=O)N1CCCC(CC1)C WXVL_AN00326SB0150 [0,0,0,1,0,0|3,0,0]=4 28 B8R0.7 CC(=O)NCCCCO WXVL_AK0075SB0150 [2,0,0,0,0,0|2,0,0]=4 29 B8R0.7 CC(=O)NCCCCO WXVL_AK0075SB0150 [2,0,0,0,0,0|2,0,0]=4 30 B8R0.7 CCCCCNC(=O)C WXVL_AK0076SB0150 [2,0,0,0,0,0|2,0,0]=4 31 B8R0.7 CCCCCNC(=O)C WXVL_AK0076SB0150 [2,0,0,0,0,0|2,0,0]=4 32 B8R0.7 NC(=O)CCCCCO WXVL_AK0084SB2973 [2,0,0,0,0,0|2,0,0]=4 33 B8R0.7 NC(=O)CCCCCO WXVL_AK0084SB2973 [2,0,0,0,0,0|2,0,0]=4 34 B8R0.28 CC(=O)NCCC(C)C WXVL_AK0068SB0150 [2,0,0,0,0,0|2,0,0]=4 35 B8R0.28 CC(=O)NCCC(C)C WXVL_AK0068SB0150 [2,0,0,0,0,0|2,0,0]=4 36 B10R0.44 CC(=CC(=O)N[C@@H](C)CO)C WXVL_AK0109SB0342 [1,1,0,0,0,0|1,0,1]=4 37 B10R0.44 CC(=CC(=O)N[C@@H](C)CO)C WXVL_AK0109SB0342 [1,1,0,0,0,0|1,0,1]=4 38 B10R0.44 CC[C@H](C)NC(=O)C=C(C)C WXVL_AK00678SB0342 [1,1,0,0,0,0|1,0,1]=4 39 B10R0.44 CC[C@H](C)NC(=O)C=C(C)C WXVL_AK00678SB0342 [1,1,0,0,0,0|1,0,1]=4 40 B10R0.59 CC(CO)CCNC(=O)CO WXVL_AK4143SB2706 [1,1,0,0,0,0|2,0,0]=4 41 B10R0.59 CC(CO)CCNC(=O)CO WXVL_AK4143SB2706 [1,1,0,0,0,0|2,0,0]=4 42 B10R0.59 CCC(=O)NCCC(C)CO WXVL_AK4143SB0064 [1,1,0,0,0,0|2,0,0]=4 43 B10R0.59 CCC(=O)NCCC(C)CO WXVL_AK4143SB0064 [1,1,0,0,0,0|2,0,0]=4 44 B10R0.4 CC(=O)NCCCCCCO WXVL_AK0751SB0150 [1,1,0,0,0,0|1,0,1]=4 45 B10R0.4 CC(=O)NCCCCCCO WXVL_AK0751SB0150 [1,1,0,0,0,0|1,0,1]=4 46 B10R0.6 CC(=CC(=O)NCCCO)C WXVL_AK0073SB0342 [1,1,0,0,0,0|1,0,1]=4 47 B10R0.6 CC(=CC(=O)NCCCO)C WXVL_AK0073SB0342 [1,1,0,0,0,0|1,0,1]=4 48 B10R0.74 CCC(=O)NCCCCCO WXVL_AK0077SB0064 [1,1,0,0,0,0|2,0,0]=4 49 B10R0.74 CCC(=O)NCCCCCO WXVL_AK0077SB0064 [1,1,0,0,0,0|2,0,0]=4 50 B10R0.74 O=C(CO)NCCCCCO WXVL_AK0077SB2706 [1,1,0,0,0,0|2,0,0]=4 51 B10R0.74 O=C(CO)NCCCCCO WXVL_AK0077SB2706 [1,1,0,0,0,0|2,0,0]=4 52 B10R0.75 CC(=O)C(=O)NCCCCO WXVL_AK0075SB0051 [1,1,0,0,0,0|2,0,0]=4 53 B10R0.75 CC(=O)C(=O)NCCCCO WXVL_AK0075SB0051 [1,1,0,0,0,0|2,0,0]=4 54 B10R0.75 CC(C)C(=O)NCCCCO WXVL_AK0075SB0052 [1,1,0,0,0,0|1,0,1]=4 55 B10R0.75 CC(C)C(=O)NCCCCO WXVL_AK0075SB0052 [1,1,0,0,0,0|1,0,1]=4 56 B10R0.75 CN(C)C(=O)CCCCCBr WXVL_AN0032SB2192 [1,1,0,0,0,0|2,0,0]=4 57 B10R0.75 CN(C)C(=O)CCCCCBr WXVL_AN0032SB2192 [1,1,0,0,0,0|2,0,0]=4 58 B10R0.75 CN(C)C(=O)CCCCCO WXVL_AN0032SB2973 [1,1,0,0,0,0|1,0,0]=3 59 B10R0.75 CN(C)C(=O)CCCCCO WXVL_AN0032SB2973 [1,1,0,0,0,0|1,0,0]=3 60 B10R0.2 C/C=C/C(=O)NC(C)CCO WXVL_AK1288SB0340 [1,1,0,0,0,0|1,0,1]=4 61 B10R0.2 C/C=C/C(=O)NC(C)CCO WXVL_AK1288SB0340 [1,1,0,0,0,0|1,0,1]=4 62 B10R0.26 CC(=O)C(=O)NC(C)CCO WXVL_AK1288SB0051 [0,1,0,0,1,0|2,0,0]=4 63 B10R0.26 CC(=O)C(=O)NC(C)CCO WXVL_AK1288SB0051 [0,1,0,0,1,0|2,0,0]=4 64 B10R0.26 CC(CCO)NC(=O)C(C)C WXVL_AK1288SB0052 [0,1,0,0,1,0|1,0,1]=4 65 B10R0.26 CC(CCO)NC(=O)C(C)C WXVL_AK1288SB0052 [0,1,0,0,1,0|1,0,1]=4 66 B10R0.32 CC(=CC(=O)N(C)CCO)C WXVL_AN2670SB0342 [0,1,0,0,1,0|1,0,1]=4 67 B10R0.32 CC(=CC(=O)N(C)CCO)C WXVL_AN2670SB0342 [0,1,0,0,1,0|1,0,1]=4 68 B12R0.54 CC(=CCCC(=O)N(C)CCO)C WXVL_AN2670SB00030 [0,1,0,0,0,1|1,0,0]=3 69 B12R0.54 CC(=CCCC(=O)N(C)CCO)C WXVL_AN2670SB00030 [0,1,0,0,0,1|1,0,0]=3 70 B12R0.240 CC(=CCCC(=O)N[C@@H](C)CO)C WXVL_AK0109SB00030 [0,2,0,0,0,0|1,0,1]=4 71 B12R0.240 CC(=CCCC(=O)N[C@@H](C)CO)C WXVL_AK0109SB00030 [0,2,0,0,0,0|1,0,1]=4 72 B12R0.240 CNC(=O)CC(C)CCC=C(C)C WXVL_AK00442SB3914 [0,2,0,0,0,0|0,0,2]=4 73 B12R0.240 CNC(=O)CC(C)CCC=C(C)C WXVL_AK00442SB3914 [0,2,0,0,0,0|0,0,2]=4 74 B12R0.48 CCCCC(C)CCC(=O)N(C)C WXVL_AN0032SB1315 [0,2,0,0,0,0|2,0,0]=4 75 B12R0.48 CCCCC(C)CCC(=O)N(C)C WXVL_AN0032SB1315 [0,2,0,0,0,0|2,0,0]=4 76 B12R0.44 CC(=CCCC(=O)NCC(C)O)C WXVL_AK0052SB00030 [0,2,0,0,0,0|1,0,1]=4 77 B12R0.44 CC(=CCCC(=O)NCC(C)O)C WXVL_AK0052SB00030 [0,2,0,0,0,0|1,0,1]=4 78 B12R0.44 CC(=CCCC(=O)NC[C@H](C)O)C WXVL_AK0113SB00030 [0,2,0,0,0,0|1,0,1]=4 79 B12R0.44 CC(=CCCC(=O)NC[C@H](C)O)C WXVL_AK0113SB00030 [0,2,0,0,0,0|1,0,1]=4 80 B12R0.233 CC(=CCCC(=O)NCCCO)C WXVL_AK0073SB00030 [0,2,0,0,0,0|1,0,1]=4 81 B12R0.233 CC(=CCCC(=O)NCCCO)C WXVL_AK0073SB00030 [0,2,0,0,0,0|1,0,1]=4 82 B10R1.13 CC(=O)N1CCC(CC1)C WXVL_AN0025SB0150 [1,0,0,1,0,0|2,0,0]=4 83 B10R1.13 CC(=O)N1CCC(CC1)C WXVL_AN0025SB0150 [1,0,0,1,0,0|2,0,0]=4 84 B10R1.31 CC(=O)N1CCC(C1)CO WXVL_AN2273SB0150 [1,0,0,1,0,0|2,0,0]=4 85 B10R1.31 CC(=O)N1CCC(C1)CO WXVL_AN2273SB0150 [1,0,0,1,0,0|2,0,0]=4 86 B10R1.31 CC(=O)N1CC[C@@H](C1)CO WXVL_AN00661SB0150 [1,0,0,1,0,0|2,0,0]=4 87 B10R1.127 CC(=O)NCCC1CCC1 WXVL_AK2418SB0150 [1,0,0,1,0,0|2,0,0]=4 88 B10R1.127 CC(=O)NCCC1CCC1 WXVL_AK2418SB0150 [1,0,0,1,0,0|2,0,0]=4 89 B10R1.39 CC(=O)N1CCC[C@H]1CO WXVL_AN0917SB0150 [1,0,0,1,0,0|2,0,0]=4 90 B10R1.66 CC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0150 [1,0,0,1,0,0|2,0,0]=4 91 B10R1.66 CC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0150 [1,0,0,1,0,0|2,0,0]=4 92 B12R1.279 CC(=O)N1CCCC(C1)CCO WXVL_AN00232SB0150 [0,0,0,1,0,1|1,0,1]=4 93 B12R1.279 CC(=O)N1CCCC(C1)CCO WXVL_AN00232SB0150 [0,0,0,1,0,1|1,0,1]=4 94 B12R1.1061 CC(=CC(=O)NC1CC(C1)O)C WXVL_AK0306SB0342 [0,1,0,1,0,0|1,0,1]=4 95 B12R1.1061 CC(=CC(=O)NC1CC(C1)O)C WXVL_AK0306SB0342 [0,1,0,1,0,0|1,0,1]=4 96 B12R1.1061 CC(=CC(=O)N[C@H]1C[C@H](C1)O)C WXVL_AK1397SB0342 [0,1,0,1,0,0|1,0,1]=4 97 B12R1.1061 CC(=CC(=O)N[C@H]1C[C@H](C1)O)C WXVL_AK1397SB0342 [0,1,0,1,0,0|1,0,1]=4 98 B12R1.113 CC(=O)N1CCC(CC1)CCO WXVL_AN3049SB0150 [0,1,0,1,0,0|2,0,0]=4 99 B12R1.252 CC(=O)NCCC1CCOCC1 WXVL_AK0294SB0150 [0,1,0,1,0,0|2,0,0]=4 100 B12R1.252 CC(=O)NCCC1CCOCC1 WXVL_AK0294SB0150 [0,1,0,1,0,0|2,0,0]=4 101 B12R1.1809 CC(=O)NCCC1(OCCO1)C WXVL_AK1439SB0150 [0,1,0,1,0,0|2,0,0]=4 102 B12R1.1809 CC(=O)NCCC1(OCCO1)C WXVL_AK1439SB0150 [0,1,0,1,0,0|2,0,0]=4 103 B12R1.225 CC1CCCC(C1)C(=O)N(C)C WXVL_AN0032SB5392 [0,1,0,1,0,0|2,0,0]=4 104 B12R1.225 CC1CCCC(C1)C(=O)N(C)C WXVL_AN0032SB5392 [0,1,0,1,0,0|2,0,0]=4 105 B12R1.264 CC(=O)C(=O)NCC1CCOC1 WXVL_AK00634SB0051 [0,1,0,1,0,0|2,0,0]=4 106 B12R1.264 CC(=O)C(=O)NCC1CCOC1 WXVL_AK00634SB0051 [0,1,0,1,0,0|2,0,0]=4 107 B12R1.264 CC(=O)C(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0051 [0,1,0,1,0,0|2,0,0]=4 108 B12R1.264 CC(=O)C(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0051 [0,1,0,1,0,0|2,0,0]=4 109 B12R1.264 CC(C)C(=O)NCC1CCOC1 WXVL_AK00634SB0052 [0,1,0,1,0,0|1,0,1]=4 110 B12R1.264 CC(C)C(=O)NCC1CCOC1 WXVL_AK00634SB0052 [0,1,0,1,0,0|1,0,1]=4 111 B12R1.264 CC(C)C(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0052 [0,1,0,1,0,0|1,0,1]=4 112 B12R1.264 CC(C)C(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0052 [0,1,0,1,0,0|1,0,1]=4 113 B12R1.264 CN(C)C(=O)CCC1CCCC1 WXVL_AN0032SB0045 [0,1,0,1,0,0|2,0,0]=4 114 B12R1.264 CN(C)C(=O)CCC1CCCC1 WXVL_AN0032SB0045 [0,1,0,1,0,0|2,0,0]=4 115 B12R2.4845 CC(=O)N1C[C@@H]2[C@H]([C@@H]2C1)CO WXVL_AN00668SB0150 [0,0,0,2,0,0|2,0,0]=4 116 B8R0.5 CC(=O)NC(C)CCO WXVL_AK1288SB0150 [0,0,0,0,2,0|2,0,0]=4 117 B8R0.5 CC(=O)NC(C)CCO WXVL_AK1288SB0150 [0,0,0,0,2,0|2,0,0]=4