0 B5R0.5 CC(=O)N(C)C B355 [0,0,0,0,0,0|1,1,1]=3 1 B5R0.5 CC(=O)[C@H](C)N 2350AA [0,0,0,0,0,0|1,1,1]=3 2 B5R0.5 CC(C)C(=O)[O-] 7249AF [0,0,0,0,0,0|1,1,1]=3 3 B5R0.5 CC(C)C(C)O 6096AL [0,0,0,0,0,0|0,1,0]=1 4 B5R0.5 CC(C)S(=O)[O-] 4057AH [0,0,0,0,0,0|2,1,0]=3 5 B5R0.5 CC(Cl)C(N)=O 9013AD [0,0,0,0,0,0|2,1,1]=4 6 B5R0.5 CC(N)C(N)=O 9942AE [0,0,0,0,0,0|2,1,1]=4 7 B5R0.5 CC(N)C(N)=O V6080 [0,0,0,0,0,0|2,1,1]=4 8 B5R0.5 CC(O)C(=O)[O-] 7038AF [0,0,0,0,0,0|2,1,1]=4 9 B5R0.5 CC(O)C(=O)[O-] O583 [0,0,0,0,0,0|2,1,1]=4 10 B5R0.5 CC(S)C(C)S 9352AJ [0,0,0,0,0,0|1,0,0]=1 11 B5R0.5 CN(C)C(=S)S 7714AL [0,0,0,0,0,0|2,0,1]=3 12 B5R0.5 C[C@@H](N)C(N)=O Z4641 [0,0,0,0,0,0|2,1,1]=4 13 B4R0.1 C#CC(C)N 6477AH [1,0,0,0,0,0|1,0,2]=4 14 B4R0.1 C=CC(C)O 6444AE [1,0,0,0,0,0|0,1,2]=4 15 B4R0.1 CC(Br)C#N X7909 [1,0,0,0,0,0|2,0,1]=4 16 B4R0.1 CC(C)=CBr X6156 [1,0,0,0,0,0|1,0,2]=4 17 B4R0.1 CC(C)CN 8086AL [1,0,0,0,0,0|1,0,0]=2 18 B4R0.1 CC(Cl)C#N 2066AL [1,0,0,0,0,0|2,0,1]=4 19 B4R0.1 CC(O)CCl 7057AF [1,0,0,0,0,0|1,1,0]=3 20 B4R0.1 CCC(N)=S 9153AL [1,0,0,0,0,0|1,0,2]=4 21 B4R0.1 CO[SiH](C)C 3278AL [1,0,0,0,0,0|1,1,0]=3 22 B4R0.1 NCC(F)F 9861AE [1,0,0,0,0,0|3,0,0]=4 23 B6R0.3 CC(=O)C(C)C#N 6171AB [0,1,0,0,0,0|0,1,2]=4 24 B6R0.3 CC(C)C(=O)CBr W4222 [0,1,0,0,0,0|0,1,1]=3 25 B6R0.3 CC(C)C(N)=NO 3115AC [0,1,0,0,0,0|1,1,1]=4 26 B6R0.3 CC(CN)C(=O)O B714 [0,1,0,0,0,0|1,1,1]=4 27 B6R0.3 CC(O)C(O)CO 4398AL [0,1,0,0,0,0|1,1,0]=3 28 B6R0.3 CCC(O)C(C)C 8275AB [0,1,0,0,0,0|0,1,0]=2 29 B6R0.3 CN(C)C(=O)CN Z5718 [0,1,0,0,0,0|1,1,1]=4 30 B6R0.3 CN(C)C(=O)CO 4466AD [0,1,0,0,0,0|1,1,1]=4 31 B6R0.3 CN(C)C(=S)S[Na] 7049AF [0,1,0,0,0,0|2,0,1]=4 32 B6R0.3 CNC(=O)C(C)Cl 3091AE [0,1,0,0,0,0|1,1,1]=4 33 B6R0.3 CNC(C)C(=O)O 0549AP [0,1,0,0,0,0|1,1,1]=4 34 B6R0.3 COC(=N)C(C)C V5712 [0,1,0,0,0,0|1,0,1]=3 35 B6R0.3 COC(C)C(C)O V6491 [0,1,0,0,0,0|0,1,0]=2 36 B6R0.3 C[C@@H](CN)C(=O)O 5650AC [0,1,0,0,0,0|1,1,1]=4 37 B6R0.3 C[C@H](CN)C(=O)O 5992AA [0,1,0,0,0,0|1,1,1]=4 38 B6R0.3 C[C@H](CO)C(=O)O 9933AA [0,1,0,0,0,0|1,1,1]=4 39 B6R0.3 C[C@H](O)[C@@H](N)CO W6337 [0,1,0,0,0,0|1,1,0]=3 40 B6R0.7 CC(C)(C)C(=O)[O-] 7339AJ [0,1,0,0,0,0|1,1,1]=4 41 B6R0.7 CC(C)(C)C(=O)[O-] 7340AJ [0,1,0,0,0,0|1,1,1]=4 42 B6R0.7 CC(C)(Cl)[N+](=O)[O-] 7043AF [0,1,0,0,0,0|2,1,0]=4 43 B6R0.7 CC(C)(F)C(=O)O 7217AE [0,1,0,0,0,0|1,1,1]=4 44 B6R0.7 CC(C)C(C)(C)N 9317AL [0,1,0,0,0,0|1,0,0]=2 45 B6R0.7 CC(C)S(=O)(=O)[O-] 7068AF [0,1,0,0,0,0|2,1,0]=4 46 B6R0.7 CC(C)S(N)(=O)=O 2634AC [0,1,0,0,0,0|2,1,0]=4 47 B6R0.7 CC(N)C(C)(C)C 2177AE [0,1,0,0,0,0|1,0,0]=2 48 B6R0.7 C[C@H](N)C(F)(F)F Z5626 [0,1,0,0,0,0|3,0,0]=4 49 B6R0.7 C[Si](C)(C)C(F)F 4096AL [0,1,0,0,0,0|2,1,0]=4 50 B6R1.11 CC(N)C1CC1 3131AE [0,0,0,1,0,0|1,0,0]=2 51 B6R1.11 NC(=S)C1CC1 6843AD [0,0,0,1,0,0|1,0,2]=4 52 B6R1.11 O=S([O-])C1CC1 V8957 [0,0,0,1,0,0|2,1,0]=4 53 B6R0.2 CC(=O)NC(C)C X8984 [0,0,0,0,0,1|0,1,1]=3 54 B6R0.2 CC(C)CC(C)N X3873 [0,0,0,0,0,1|1,0,0]=2 55 B6R0.2 CC(C)NC(N)=O X3415 [0,0,0,0,0,1|1,1,1]=4 56 B6R0.2 CC(C)OC(N)=O 7274AF [0,0,0,0,0,1|1,1,1]=4 57 B6R0.2 CC(O)CC(C)O 5338AL [0,0,0,0,0,1|1,1,0]=3 58 B6R0.2 C[C@@H](O)C[C@@H](C)O 7396AJ [0,0,0,0,0,1|1,1,0]=3 59 B6R0.2 C[C@H](O)C[C@H](C)O 7398AJ [0,0,0,0,0,1|1,1,0]=3 60 B6R0.2 C[SiH](C)N[SiH](C)C 8011AA [0,0,0,0,0,1|1,2,0]=4 61 B3R0.1 CCCN 8883AL [2,0,0,0,0,0|1,0,0]=3 62 B3R0.1 CCCS 7738AJ [2,0,0,0,0,0|0,0,0]=2 63 B3R0.1 CCNO X5655 [2,0,0,0,0,0|1,1,0]=4 64 B3R0.1 ClCCI 4811AL [2,0,0,0,0,0|2,0,0]=4 65 B3R0.1 FCCI V7660 [2,0,0,0,0,0|2,0,0]=4 66 B3R0.1 NCCN 7518AA [2,0,0,0,0,0|2,0,0]=4 67 B3R0.1 NCCN 8659AJ [2,0,0,0,0,0|2,0,0]=4 68 B3R0.2 C=C(C)C 5301AF [2,0,0,0,0,0|0,0,2]=4 69 B3R0.2 [BH3-][NH+](C)C 8584AJ [2,0,0,0,0,0|2,0,0]=4 70 B5R0.1 C#CCC(C)C 8172AJ [1,1,0,0,0,0|0,0,1]=3 71 B5R0.1 C=C(C)CCBr Z4377 [1,1,0,0,0,0|0,0,2]=4 72 B5R0.1 C=C(C)CCC 5700AL [1,1,0,0,0,0|0,0,2]=4 73 B5R0.1 CC(C)=CCBr Z1911 [1,1,0,0,0,0|0,0,2]=4 74 B5R0.1 CC(C)CCI X5313 [1,1,0,0,0,0|0,0,0]=2 75 B5R0.1 CC(C)CNN Z1645 [1,1,0,0,0,0|1,0,0]=3 76 B5R0.1 CC(C)OC=O 7262AF [1,1,0,0,0,0|0,1,1]=4 77 B5R0.1 CC(N)CCO Z2685 [1,1,0,0,0,0|1,0,0]=3 78 B5R0.1 CN(C)CC=O 4924AA [1,1,0,0,0,0|1,0,1]=4 79 B5R0.1 COCC(C)=O U020 [1,1,0,0,0,0|0,1,1]=4 80 B5R0.1 COCC(C)N 0442AC [1,1,0,0,0,0|1,0,0]=3 81 B5R0.1 COC[C@@H](C)N W7467 [1,1,0,0,0,0|1,0,0]=3 82 B5R0.1 CSC=[N+](C)C 8446AL [1,1,0,0,0,0|1,0,1]=4 83 B5R0.1 CSCC(C)=O Y1373 [1,1,0,0,0,0|0,1,1]=4 84 B5R0.1 CSCS(C)=O E772 [1,1,0,0,0,0|1,1,0]=4 85 B5R0.1 C[C@H](N)CCO W7371 [1,1,0,0,0,0|1,0,0]=3 86 B5R0.3 C=CC(C)CC 6094AL [1,1,0,0,0,0|0,0,1]=3 87 B5R0.3 C=CC(O)CC 7733AJ [1,1,0,0,0,0|0,1,1]=4 88 B5R0.3 CCC(=O)NC 7273AF [1,1,0,0,0,0|0,1,1]=4 89 B5R0.3 CCC(C)C=O 7969AJ [1,1,0,0,0,0|0,0,1]=3 90 B5R0.3 CCC(C)CC 6117AL [1,1,0,0,0,0|0,0,0]=2 91 B5R0.3 CCC(C)CI 4886AL [1,1,0,0,0,0|0,0,0]=2 92 B5R0.3 CCC(C)NC 9511AE [1,1,0,0,0,0|0,0,0]=2 93 B5R0.3 CCC(C)NN 0007AD [1,1,0,0,0,0|1,0,0]=3 94 B5R0.3 CCC(O)CN 6349AA [1,1,0,0,0,0|0,1,0]=3 95 B5R0.3 CCN(C)CC 7490AH [1,1,0,0,0,0|1,0,0]=3 96 B5R0.3 CC[C@H](O)CO 1422AC [1,1,0,0,0,0|0,1,0]=3 97 B5R0.3 NC(CO)CO V0534 [1,1,0,0,0,0|1,1,0]=4 98 B5R0.3 NCC(O)CCl Z2000 [1,1,0,0,0,0|1,1,0]=4 99 B5R0.3 OCC(S)CS F878 [1,1,0,0,0,0|1,0,0]=3 100 B5R0.4 C=CC(C)(C)C 5869AL [1,1,0,0,0,0|0,0,2]=4 101 B5R0.4 CC(C)(C)CN 8004AA [1,1,0,0,0,0|1,0,0]=3 102 B5R0.4 CC(C)(C)NO B804 [1,1,0,0,0,0|1,1,0]=4 103 B5R0.4 CC(C)(F)CBr 5101AJ [1,1,0,0,0,0|1,0,0]=3 104 B5R0.4 CC(C)(N)CO 4971AH [1,1,0,0,0,0|0,1,0]=3 105 B5R0.4 CC(F)(F)CN V8232 [1,1,0,0,0,0|2,0,0]=4 106 B5R0.4 CCC(C)(C)Br 5515AL [1,1,0,0,0,0|0,0,0]=2 107 B5R0.4 CCC(C)(C)Cl 5561AL [1,1,0,0,0,0|0,0,0]=2 108 B5R0.4 CCS(C)(=O)=O F876 [1,1,0,0,0,0|1,1,0]=4 109 B5R0.4 CO[Si](C)(C)C X3592 [1,1,0,0,0,0|1,1,0]=4 110 B5R0.4 C[N+](C)(C)CI 2479AE [1,1,0,0,0,0|2,0,0]=4 111 B5R0.4 C[Si](C)(C)CBr 4095AL [1,1,0,0,0,0|1,1,0]=4 112 B5R0.4 C[Si](C)(C)CO X6387 [1,1,0,0,0,0|0,2,0]=4 113 B5R0.4 C[Si](C)(Cl)CCl 8463AJ [1,1,0,0,0,0|1,1,0]=4 114 B7R0.2 CC(C)NC(=O)CN 6712AE [0,1,0,0,0,1|0,1,1]=4 115 B7R0.2 CC(C)OC(=O)CN Y6052 [0,1,0,0,0,1|0,1,1]=4 116 B7R0.2 CCC(=O)CC(C)C 9385AB [0,1,0,0,0,1|0,1,1]=4 117 B7R0.2 CCC(=O)OC(C)C 7522AF [0,1,0,0,0,1|0,1,1]=4 118 B7R0.2 CCC(C)OC(C)=O 7525AF [0,1,0,0,0,1|0,1,1]=4 119 B7R0.2 CNC(C)CC(C)C 2627AF [0,1,0,0,0,1|1,0,0]=3 120 B7R0.2 COC(=O)CC(C)C 8842AJ [0,1,0,0,0,1|0,1,1]=4 121 B7R0.2 C\C(CC(C)C)=N/O 6599AL [0,1,0,0,0,1|0,1,1]=4 122 B7R0.9 CC(C)=CC(C)(C)C 7955AF [0,1,0,0,0,1|1,0,1]=4 123 B7R0.16 CC(Br)C(=O)C(C)Br 0261AQ [0,1,0,0,0,1|2,0,0]=4 124 B7R0.16 CC(C)=C(C)C(C)C 5174AL [0,1,0,0,0,1|1,0,1]=4 125 B7R0.16 CC(C)[SiH](Cl)C(C)C 8579AJ [0,1,0,0,0,1|1,0,0]=3 126 B7R0.16 CC(N)C(=O)N(C)C 3024AD [0,1,0,0,0,1|2,0,0]=4 127 B7R0.5 CC(C)C(=O)CC#N W5204 [0,2,0,0,0,0|0,1,1]=4 128 B7R0.5 CC(C)C(C)N=C=S 6785AD [0,2,0,0,0,0|0,0,1]=3 129 B7R0.5 CC(C)C(N)CCO 5799AJ [0,2,0,0,0,0|1,0,0]=3 130 B7R0.10 CC[C@@H](C)[C@@H](N)CO G876 [0,2,0,0,0,0|1,0,0]=3 131 B7R0.10 CNC(C)C(=O)OC 4207AJ [0,2,0,0,0,0|0,1,1]=4 132 B7R0.10 CN[C@@H](C)C(=O)OC V5398 [0,2,0,0,0,0|0,1,1]=4 133 B7R0.10 COC(=O)C(C)OC X3976 [0,2,0,0,0,0|0,1,1]=4 134 B7R0.10 COC(=O)[C@@H](C)CBr 4140AL [0,2,0,0,0,0|0,1,1]=4 135 B7R0.10 COC(=O)[C@H](C)CBr 4182AL [0,2,0,0,0,0|0,1,1]=4 136 B7R0.10 COC(=O)[C@H](C)CO X3275 [0,2,0,0,0,0|0,1,1]=4 137 B7R0.10 O[C@@H](CS)[C@@H](O)CS 7309AH [0,2,0,0,0,0|1,1,0]=4 138 B7R0.13 CC(=O)C(C)(C)C#N W5860 [0,2,0,0,0,0|0,1,1]=4 139 B7R0.13 CCC(C)(C)C(C)=O 0596AB [0,2,0,0,0,0|0,1,1]=4 140 B7R0.13 CCS(=O)(=O)C(C)C 7881AL [0,2,0,0,0,0|1,1,0]=4 141 B7R0.14 CC(C)(C)C(=O)CN 3787AB [0,2,0,0,0,0|0,1,1]=4 142 B7R0.14 CC(C)(C)C(N)CO 1480AJ [0,2,0,0,0,0|1,0,0]=3 143 B7R0.14 CCC(=O)C(C)(C)C Y9483 [0,2,0,0,0,0|0,1,1]=4 144 B7R0.14 CNC(=O)C(C)(C)Br V7364 [0,2,0,0,0,0|0,1,1]=4 145 B7R0.15 CCC(CC)C(C)=O 6697AE [0,2,0,0,0,0|0,1,1]=4 146 B7R0.15 CCC(CO)N(C)C 5536AD [0,2,0,0,0,0|1,1,0]=4 147 B7R0.17 CC(C)(Br)C(C)(C)Br 5212AL [0,2,0,0,0,0|1,0,0]=3 148 B7R0.17 CC(C)(N)C(C)(C)N 5231AL [0,2,0,0,0,0|1,0,0]=3 149 B7R0.17 CC(C)(O)C(Cl)(Cl)Cl 7234AF [0,2,0,0,0,0|2,0,0]=4 150 B5R1.2 BrC1CNC1 7707AB [1,0,0,1,0,0|2,0,0]=4 151 B5R1.2 CC1CNC1 W9623 [1,0,0,1,0,0|1,0,0]=3 152 B5R1.2 ClC1CCC1 Z7366 [1,0,0,1,0,0|1,0,0]=3 153 B5R1.2 ClC1CNC1 3365AB [1,0,0,1,0,0|2,0,0]=4 154 B5R1.2 FC1CNC1 X3056 [1,0,0,1,0,0|2,0,0]=4 155 B5R1.2 NC1CNC1 0554AA [1,0,0,1,0,0|2,0,0]=4 156 B5R1.2 NC1COC1 6668AB [1,0,0,1,0,0|1,1,0]=4 157 B5R1.2 O=C1CSC1 Z4430 [1,0,0,1,0,0|1,0,1]=4 158 B5R1.2 OC1CNC1 W6360 [1,0,0,1,0,0|1,1,0]=4 159 B5R1.3 CC[C@H]1CO1 7482AJ [1,0,0,1,0,0|0,1,0]=3 160 B5R1.3 NCC1CC1 Y1835 [1,0,0,1,0,0|1,0,0]=3 161 B5R1.5 CC1(N)CC1 W9186 [1,0,0,1,0,0|1,0,0]=3 162 B7R1.2 CC1C=CC(C)N1 Y9566 [0,0,0,1,0,1|1,0,1]=4 163 B7R1.2 CC1CCC(=O)N1 1659AA [0,0,0,1,0,1|0,1,1]=4 164 B7R1.2 CN1CCC(N)C1 9936AH [0,0,0,1,0,1|2,0,0]=4 165 B7R1.2 CN1CCC(N)C1 X9823 [0,0,0,1,0,1|2,0,0]=4 166 B7R1.2 CN1CC[C@@H](N)C1 3935AE [0,0,0,1,0,1|2,0,0]=4 167 B7R1.2 NC1CCC(O)C1 X9254 [0,0,0,1,0,1|1,1,0]=4 168 B7R1.2 N[C@@H]1CC[C@H](O)C1 4920AA [0,0,0,1,0,1|1,1,0]=4 169 B7R1.2 OC1CCC(O)C1 7614AJ [0,0,0,1,0,1|1,1,0]=4 170 B7R1.4 CC1CCNC1=O Y8455 [0,1,0,1,0,0|0,1,1]=4 171 B7R1.4 CC1CCOC1=O W3659 [0,1,0,1,0,0|0,1,1]=4 172 B7R1.4 CC1CSCC1=O 6972AB [0,1,0,1,0,0|0,1,1]=4 173 B7R1.4 CC1SCCC1=O 6512AA [0,1,0,1,0,0|0,1,1]=4 174 B7R1.4 NC1CCCC1O W9232 [0,1,0,1,0,0|1,1,0]=4 175 B7R1.4 N[C@@H]1CCC[C@@H]1O V0969 [0,1,0,1,0,0|1,1,0]=4 176 B7R1.4 N[C@@H]1CCC[C@H]1O V0968 [0,1,0,1,0,0|1,1,0]=4 177 B7R1.4 N[C@@H]1COC[C@@H]1N X8658 [0,1,0,1,0,0|2,0,0]=4 178 B7R1.4 N[C@@H]1COC[C@H]1O 4689AJ [0,1,0,1,0,0|1,1,0]=4 179 B7R1.4 N[C@H]1CCC[C@H]1O V0971 [0,1,0,1,0,0|1,1,0]=4 180 B7R1.4 OC1CCCC1O 5008AJ [0,1,0,1,0,0|1,1,0]=4 181 B7R1.4 O[C@@H]1CCC[C@H]1O 6973AB [0,1,0,1,0,0|1,1,0]=4 182 B7R1.4 O[C@H]1CNC[C@@H]1O Z5315 [0,1,0,1,0,0|1,1,0]=4 183 B7R1.18 CC(=O)C1CCC1 9513AD [0,1,0,1,0,0|0,1,1]=4 184 B7R1.18 CC(O)C1CCC1 W8263 [0,1,0,1,0,0|0,1,0]=3 185 B7R1.18 CN(C)C1CNC1 3640AF [0,1,0,1,0,0|2,0,0]=4 186 B7R1.18 CN(C)C1CNC1 X9606 [0,1,0,1,0,0|2,0,0]=4 187 B7R0.6 CC(Br)CCC(C)Br V1473 [0,0,0,0,0,2|2,0,0]=4 188 B7R0.6 CC(C)CCC(C)Br 5483AJ [0,0,0,0,0,2|1,0,0]=3 189 B7R0.6 CC(C)SSC(C)C W6227 [0,0,0,0,0,2|1,0,0]=3 190 B7R0.6 CC(O)CCC(C)O Q324 [0,0,0,0,0,2|1,1,0]=4 191 B7R0.6 C[C@@H](O)CC[C@@H](C)O 4049AL [0,0,0,0,0,2|1,1,0]=4