0 B7R0.18 CCC(Br)(CC)CC B43899 [0,0,0,0,0,0|4,0,0]=4 1 B6R0.8 C#C[C@@](C)(N)CC M43435 [1,0,0,0,0,0|2,0,1]=4 2 B6R0.8 CC(C)(C#N)CO H38135 [1,0,0,0,0,0|2,0,1]=4 3 B6R0.8 CC(C)(CO)CCl C40423 [1,0,0,0,0,0|2,0,0]=3 4 B6R0.8 CC[C@](C)(N)C#N A40368 [1,0,0,0,0,0|2,0,1]=4 5 B6R0.8 CNC(C)(C)CO M40446 [1,0,0,0,0,0|3,0,0]=4 6 B6R0.8 NCC(F)(F)CO A20407 [1,0,0,0,0,0|3,0,0]=4 7 B6R0.8 OCC(F)(F)CO D63088 [1,0,0,0,0,0|2,0,0]=3 8 B6R0.9 CCC(CC)C[Mg+] E31704 [1,0,0,0,0,0|3,0,0]=4 9 B6R0.9 OCC(CO)CO H36774 [1,0,0,0,0,0|0,0,0]=1 10 B8R0.10 OCC(CCl)(CCl)CCl C6227 [0,1,0,0,0,0|3,0,0]=4 11 B8R0.10 OCC(CO)(CO)CBr B62441 [0,1,0,0,0,0|1,0,0]=2 12 B8R0.36 CCC(N)(CC)C(=O)O A67712 [0,1,0,0,0,0|2,0,1]=4 13 B8R1.52 C[C@]1(CBr)CCOC1 B13265 [0,0,0,1,0,0|3,0,0]=4 14 B8R1.52 C[C@]1(CN)CCOC1 A11774 [0,0,0,1,0,0|3,0,0]=4 15 B8R1.52 C[C@]1(CO)CCOC1 M13264 [0,0,0,1,0,0|2,0,0]=3 16 B8R1.52 N[C@@]1(CO)CCOC1 A11595 [0,0,0,1,0,0|1,0,0]=2 17 B8R1.52 OC[C@]1(O)CCNC1 H14632 [0,0,0,1,0,0|3,0,0]=4 18 B8R1.52 OC[C@]1(O)CCNC1 H31243 [0,0,0,1,0,0|3,0,0]=4 19 B8R1.60 BrCC1(CBr)COC1 B6661 [0,0,0,1,0,0|3,0,0]=4 20 B8R1.60 CCC1(CN)COC1 E8385 [0,0,0,1,0,0|3,0,0]=4 21 B8R1.60 CCC1(CO)COC1 E29798 [0,0,0,1,0,0|2,0,0]=3 22 B8R1.60 CNC1(CO)COC1 M8589 [0,0,0,1,0,0|3,0,0]=4 23 B8R1.60 COC1(CO)COC1 M60398 [0,0,0,1,0,0|3,0,0]=4 24 B8R1.60 ClCC1(CBr)COC1 B1187 [0,0,0,1,0,0|3,0,0]=4 25 B8R1.60 ClCC1(CCl)COC1 B6103 [0,0,0,1,0,0|3,0,0]=4 26 B8R1.60 ClCC1(CI)COC1 C1184 [0,0,0,1,0,0|3,0,0]=4 27 B8R1.60 NCC1(CN)COC1 X6295 [0,0,0,1,0,0|3,0,0]=4 28 B8R1.60 NCC1(CO)CCC1 A1325 [0,0,0,1,0,0|3,0,0]=4 29 B8R1.60 NCC1(CO)COC1 A20241 [0,0,0,1,0,0|2,0,0]=3 30 B8R1.60 NCC1(CO)COC1 A30149 [0,0,0,1,0,0|2,0,0]=3 31 B8R1.60 OCC1(CBr)COC1 B5888 [0,0,0,1,0,0|2,0,0]=3 32 B8R1.60 OCC1(CCl)COC1 C6354 [0,0,0,1,0,0|2,0,0]=3 33 B8R1.60 OCC1(CF)COC1 F60204 [0,0,0,1,0,0|2,0,0]=3 34 B8R1.60 OCC1(CO)CCC1 C6242 [0,0,0,1,0,0|2,0,0]=3 35 B8R1.60 OCC1(CO)CNC1 H16015 [0,0,0,1,0,0|2,0,0]=3 36 B8R1.60 OCC1(CO)COC1 X6219 [0,0,0,1,0,0|1,0,0]=2 37 B5R0.3 C=C(CO)CO M5145 [2,0,0,0,0,0|0,0,2]=4 38 B5R0.3 C=C[C@H](N)CO A40343 [2,0,0,0,0,0|1,0,1]=4 39 B5R0.3 CC(CBr)CBr D40238 [2,0,0,0,0,0|2,0,0]=4 40 B5R0.3 CC(CO)CO M60880 [2,0,0,0,0,0|0,0,0]=2 41 B5R0.3 CCC(N)CC P40440 [2,0,0,0,0,0|2,0,0]=4 42 B5R0.3 CC[C@@H](N)CO A39144 [2,0,0,0,0,0|1,0,0]=3 43 B5R0.3 CC[C@@H](O)CO B39955 [2,0,0,0,0,0|1,0,0]=3 44 B5R0.3 CC[C@H](N)CO A39145 [2,0,0,0,0,0|1,0,0]=3 45 B5R0.3 CC[C@H](O)CO B39956 [2,0,0,0,0,0|1,0,0]=3 46 B5R0.3 CO[C@@H](C)CO M68380 [2,0,0,0,0,0|2,0,0]=4 47 B5R0.3 CO[C@H](C)CO M68381 [2,0,0,0,0,0|2,0,0]=4 48 B5R0.3 NCC(O)CN D38498 [2,0,0,0,0,0|2,0,0]=4 49 B5R0.3 NC[C@@H](O)CCl A39888 [2,0,0,0,0,0|2,0,0]=4 50 B5R0.3 NC[C@@H](O)CO A67523 [2,0,0,0,0,0|1,0,0]=3 51 B5R0.3 NC[C@H](O)CCl A36622 [2,0,0,0,0,0|2,0,0]=4 52 B5R0.3 NC[C@H](O)CCl A39887 [2,0,0,0,0,0|2,0,0]=4 53 B5R0.3 NC[C@H](O)CF A28629 [2,0,0,0,0,0|2,0,0]=4 54 B5R0.3 NC[C@H](O)CO A38562 [2,0,0,0,0,0|1,0,0]=3 55 B5R0.3 NC[C@H](O)CO A67451 [2,0,0,0,0,0|1,0,0]=3 56 B5R0.3 O=C[C@H](O)CO D39873 [2,0,0,0,0,0|0,0,2]=4 57 B5R0.3 OC[C@@H](O)CCl C69122 [2,0,0,0,0,0|1,0,0]=3 58 B5R0.3 OC[C@@H](O)CF F60905 [2,0,0,0,0,0|1,0,0]=3 59 B5R0.3 OC[C@H](O)CCl C68371 [2,0,0,0,0,0|1,0,0]=3 60 B5R0.3 OC[C@H](O)CF F60904 [2,0,0,0,0,0|1,0,0]=3 61 B5R0.4 CC(C)(C)CN D41344 [2,0,0,0,0,0|2,0,0]=4 62 B5R0.4 CC(C)(C)C[Mg+] D31702 [2,0,0,0,0,0|2,0,0]=4 63 B5R0.4 CC(C)(C)NO B41419 [2,0,0,0,0,0|2,0,0]=4 64 B5R0.4 CC(C)(F)CO F64897 [2,0,0,0,0,0|1,0,0]=3 65 B5R0.4 CC(C)(N)C#N A39161 [2,0,0,0,0,0|1,0,1]=4 66 B5R0.4 CC(C)(N)CN M25502 [2,0,0,0,0,0|1,0,0]=3 67 B5R0.4 CC(C)(N)CO A68632 [2,0,0,0,0,0|0,0,0]=2 68 B5R0.4 CC(C)(O)CCl C40272 [2,0,0,0,0,0|2,0,0]=4 69 B5R0.4 CC(C)(O)CN A10987 [2,0,0,0,0,0|2,0,0]=4 70 B5R0.4 CC(C)(O)CO M37968 [2,0,0,0,0,0|1,0,0]=3 71 B5R0.4 CC(C)(S)CN A40315 [2,0,0,0,0,0|2,0,0]=4 72 B7R0.13 CC(C)(CO)C(=O)O H68365 [1,1,0,0,0,0|1,0,1]=4 73 B7R0.13 CC[C@@](C)(N)C(=O)O K69340 [1,1,0,0,0,0|1,0,1]=4 74 B7R0.13 CC[C@](C)(N)C(=O)O K68055 [1,1,0,0,0,0|1,0,1]=4 75 B7R0.13 C[C@@](N)(CO)C(=O)O M36868 [1,1,0,0,0,0|0,0,1]=3 76 B7R0.13 C[C@](N)(CO)C(=O)O A32019 [1,1,0,0,0,0|0,0,1]=3 77 B7R0.15 CC[C@@H](CO)C(C)C E43948 [1,1,0,0,0,0|2,0,0]=4 78 B9R0.78 CCC(CO)(CO)C(=O)O B69094 [0,2,0,0,0,0|1,0,1]=4 79 B7R1.14 C[C@]1(N)CCOC1 A11772 [1,0,0,1,0,0|1,0,0]=3 80 B7R1.17 CC1(C)CC[C@@H]1O D60329 [1,0,0,1,0,0|2,0,0]=4 81 B7R1.25 CC1(CBr)COC1 B0548 [1,0,0,1,0,0|2,0,0]=4 82 B7R1.25 CC1(CCl)COC1 C8473 [1,0,0,1,0,0|2,0,0]=4 83 B7R1.25 CC1(CI)COC1 I1186 [1,0,0,1,0,0|2,0,0]=4 84 B7R1.25 CC1(CN)COC1 A5692 [1,0,0,1,0,0|2,0,0]=4 85 B7R1.25 CC1(CO)CNC1 M29667 [1,0,0,1,0,0|2,0,0]=4 86 B7R1.25 CC1(CO)COC1 M6652 [1,0,0,1,0,0|1,0,0]=3 87 B7R1.25 CC1(CO)CSC1 M1298 [1,0,0,1,0,0|1,1,0]=4 88 B7R1.25 CC1(CS)COC1 M8472 [1,0,0,1,0,0|1,1,0]=4 89 B7R1.25 CCC1(N)CNC1 A14400 [1,0,0,1,0,0|2,0,0]=4 90 B7R1.25 CCC1(N)COC1 E7159 [1,0,0,1,0,0|1,0,0]=3 91 B7R1.25 CCC1(O)COC1 E40380 [1,0,0,1,0,0|2,0,0]=4 92 B7R1.25 FC1(CBr)COC1 B6265 [1,0,0,1,0,0|2,0,0]=4 93 B7R1.25 FC1(CI)COC1 F8394 [1,0,0,1,0,0|2,0,0]=4 94 B7R1.25 N#CC1(N)COC1 A30070 [1,0,0,1,0,0|1,0,1]=4 95 B7R1.25 NC1(CO)CCC1 A10610 [1,0,0,1,0,0|1,0,0]=3 96 B7R1.25 NC1(CO)CCC1 A13167 [1,0,0,1,0,0|1,0,0]=3 97 B7R1.25 NC1(CO)COC1 A6679 [1,0,0,1,0,0|0,0,0]=2 98 B7R1.25 NCC1(F)COC1 A8392 [1,0,0,1,0,0|2,0,0]=4 99 B7R1.25 NCC1(N)COC1 A11911 [1,0,0,1,0,0|1,0,0]=3 100 B7R1.25 NCC1(O)COC1 H7163 [1,0,0,1,0,0|2,0,0]=4 101 B7R1.25 OCC1(F)CNC1 F11720 [1,0,0,1,0,0|2,0,0]=4 102 B7R1.25 OCC1(F)COC1 F6264 [1,0,0,1,0,0|1,0,0]=3 103 B7R1.25 OCC1(O)CNC1 B30129 [1,0,0,1,0,0|2,0,0]=4 104 B7R1.25 OCC1(O)COC1 H31091 [1,0,0,1,0,0|1,0,0]=3 105 B7R1.29 OCC1(CO)CC1 B3821 [1,0,0,1,0,0|1,0,0]=3 106 B7R1.1 BrC[C@H]1CCOC1 T0399 [1,0,0,1,0,0|2,0,0]=4 107 B7R1.1 IC[C@H]1CCOC1 I12451 [1,0,0,1,0,0|2,0,0]=4 108 B7R1.1 NC[C@@H]1CCOC1 T10325 [1,0,0,1,0,0|2,0,0]=4 109 B7R1.1 NC[C@@H]1CCOC1 T1675 [1,0,0,1,0,0|2,0,0]=4 110 B7R1.1 NC[C@H]1CCOC1 T10324 [1,0,0,1,0,0|2,0,0]=4 111 B7R1.1 NC[C@H]1CCOC1 T1153 [1,0,0,1,0,0|2,0,0]=4 112 B7R1.1 NC[C@H]1CCOC1 T1674 [1,0,0,1,0,0|2,0,0]=4 113 B7R1.1 NC[C@H]1CCOC1 T7262 [1,0,0,1,0,0|2,0,0]=4 114 B7R1.1 OCC1CC=CC1 C11867 [1,0,0,1,0,0|2,0,0]=4 115 B7R1.1 OCC1CCCC1 C23297 [1,0,0,1,0,0|2,0,0]=4 116 B7R1.1 OC[C@@H]1CCNC1 H11286 [1,0,0,1,0,0|2,0,0]=4 117 B7R1.1 OC[C@@H]1CCNC1 P1348 [1,0,0,1,0,0|2,0,0]=4 118 B7R1.1 OC[C@@H]1CCOC1 T0397 [1,0,0,1,0,0|1,0,0]=3 119 B7R1.1 OC[C@H]1CCNC1 H1594 [1,0,0,1,0,0|2,0,0]=4 120 B7R1.1 OC[C@H]1CCNC1 H7915 [1,0,0,1,0,0|2,0,0]=4 121 B7R1.1 OC[C@H]1CCNC1 P1155 [1,0,0,1,0,0|2,0,0]=4 122 B7R1.1 OC[C@H]1CCNC1 P41328 [1,0,0,1,0,0|2,0,0]=4 123 B7R1.1 OC[C@H]1CCNC1 P6954 [1,0,0,1,0,0|2,0,0]=4 124 B7R1.1 OC[C@H]1CCOC1 T0396 [1,0,0,1,0,0|1,0,0]=3 125 B7R1.1 OC[C@H]1CCOC1 T0398 [1,0,0,1,0,0|1,0,0]=3 126 B7R1.8 OCC1CCC1F F60214 [1,0,0,1,0,0|2,0,0]=4 127 B9R1.118 CC1(CO)CCOCC1 H14518 [0,1,0,1,0,0|2,0,0]=4 128 B9R1.118 CCC1(N)CCOCC1 E29635 [0,1,0,1,0,0|2,0,0]=4 129 B9R1.118 NC1(CO)CCOCC1 A1161 [0,1,0,1,0,0|1,0,0]=3 130 B9R1.118 OCC1(F)CCOCC1 H8035 [0,1,0,1,0,0|2,0,0]=4 131 B9R1.124 NC1CC(CO)(CO)C1 A1624 [0,1,0,1,0,0|2,0,0]=4 132 B9R1.124 OCC1(CO)CC(O)C1 B27279 [0,1,0,1,0,0|1,0,0]=3 133 B9R1.175 N#CCC1(CO)COC1 H5893 [0,1,0,1,0,0|2,0,0]=4 134 B9R1.119 OCC1(C(F)F)COC1 D59972 [0,1,0,1,0,0|2,0,0]=4 135 B9R1.163 N[C@@]1(C(=O)O)CCOC1 A0696 [0,1,0,1,0,0|1,0,1]=4 136 B9R1.163 N[C@@]1(C(=O)O)CCOC1 A60223 [0,1,0,1,0,0|1,0,1]=4 137 B9R1.163 N[C@@]1(C(=O)O)CCOC1 A64109 [0,1,0,1,0,0|1,0,1]=4 138 B9R1.163 N[C@]1(C(=O)O)CCOC1 A60224 [0,1,0,1,0,0|1,0,1]=4 139 B9R2.173 C1CC2(CCOC2)N1 X20242 [0,0,0,2,0,0|2,0,0]=4 140 B9R2.173 C1C[C@@]2(CCOC2)N1 O8007 [0,0,0,2,0,0|2,0,0]=4