0 B5R0.5 CC(=O)N(C)C B355 [0,0,0,0,0,0|3,0,0]=3 1 B5R0.5 CC(=O)[C@H](C)N 2350AA [0,0,0,0,0,0|2,0,0]=2 2 B5R0.5 CC(C)C(=O)[O-] 7249AF [0,0,0,0,0,0|1,0,1]=2 3 B5R0.5 CC(C)C(C)O 6096AL [0,0,0,0,0,0|2,0,1]=3 4 B5R0.5 CC(C)S(=O)[O-] 4057AH [0,0,0,0,0,0|2,0,1]=3 5 B5R0.5 CC(Cl)C(N)=O 9013AD [0,0,0,0,0,0|2,0,0]=2 6 B5R0.5 CC(N)C(N)=O 9942AE [0,0,0,0,0,0|2,0,0]=2 7 B5R0.5 CC(N)C(N)=O V6080 [0,0,0,0,0,0|2,0,0]=2 8 B5R0.5 CC(O)C(=O)[O-] 7038AF [0,0,0,0,0,0|0,0,1]=1 9 B5R0.5 CC(O)C(=O)[O-] O583 [0,0,0,0,0,0|0,0,1]=1 10 B5R0.5 CC(S)C(C)S 9352AJ [0,0,0,0,0,0|1,2,1]=4 11 B5R0.5 CN(C)C(=S)S 7714AL [0,0,0,0,0,0|2,2,0]=4 12 B5R0.5 C[C@@H](N)C(N)=O Z4641 [0,0,0,0,0,0|2,0,0]=2 13 B5R0.5 NC(=O)C(=O)[O-] Z3402 [0,0,0,0,0,0|1,0,3]=4 14 B5R0.5 NC(=O)C(F)Cl 3273AE [0,0,0,0,0,0|3,0,0]=3 15 B5R0.5 O=C(O)C(Br)Br 6811AF [0,0,0,0,0,0|2,0,0]=2 16 B4R0.1 C#CC(C)N 6477AH [1,0,0,0,0,0|2,0,1]=4 17 B4R0.1 C=C(Br)CO 1053AQ [1,0,0,0,0,0|2,0,0]=3 18 B4R0.1 C=CC(=O)[O-] 7016AF [1,0,0,0,0,0|0,0,3]=4 19 B4R0.1 C=CC(C)O 6444AE [1,0,0,0,0,0|1,0,0]=2 20 B4R0.1 CC(=O)O[Cu] X3614 [1,0,0,0,0,0|3,0,0]=4 21 B4R0.1 CC(=O)O[Tl] 6845AF [1,0,0,0,0,0|3,0,0]=4 22 B4R0.1 CC(Br)C#N X7909 [1,0,0,0,0,0|2,0,1]=4 23 B4R0.1 CC(C)=CBr X6156 [1,0,0,0,0,0|2,0,1]=4 24 B4R0.1 CC(C)CN 8086AL [1,0,0,0,0,0|2,0,1]=4 25 B4R0.1 CC(Cl)C#N 2066AL [1,0,0,0,0,0|2,0,1]=4 26 B4R0.1 CC(O)CCl 7057AF [1,0,0,0,0,0|1,0,1]=3 27 B4R0.1 CCC(N)=S 9153AL [1,0,0,0,0,0|1,1,0]=3 28 B4R0.1 CNC(=N)N 5115AF [1,0,0,0,0,0|3,0,0]=4 29 B4R0.1 N=C(N)CCl 0665AB [1,0,0,0,0,0|3,0,0]=4 30 B4R0.1 NCC(N)=O 1224AA [1,0,0,0,0,0|2,0,0]=3 31 B4R0.1 NCC(N)=O W7259 [1,0,0,0,0,0|2,0,0]=3 32 B6R0.3 C=C(C)C(=O)NC 3763AL [0,1,0,0,0,0|2,0,1]=4 33 B6R0.3 C=CN(C)C(C)=O V0612 [0,1,0,0,0,0|3,0,0]=4 34 B6R0.3 CC(=O)C(=O)CBr W6757 [0,1,0,0,0,0|1,0,2]=4 35 B6R0.3 CC(=O)C(C)C#N 6171AB [0,1,0,0,0,0|2,0,0]=3 36 B6R0.3 CC(C)C(=O)CBr W4222 [0,1,0,0,0,0|2,0,0]=3 37 B6R0.3 CC(C)C(N)=NO 3115AC [0,1,0,0,0,0|2,0,0]=3 38 B6R0.3 CC(CN)C(=O)O B714 [0,1,0,0,0,0|1,0,0]=2 39 B6R0.3 CC(O)C(O)CO 4398AL [0,1,0,0,0,0|0,0,2]=3 40 B6R0.3 CCC(=O)C(C)=O 7386AF [0,1,0,0,0,0|1,0,2]=4 41 B6R0.3 CCC(Br)C(=O)Cl 5533AL [0,1,0,0,0,0|2,0,0]=3 42 B6R0.3 CCC(Cl)C(=O)O 7236AF [0,1,0,0,0,0|1,0,0]=2 43 B6R0.3 CCC(O)C(=O)O Z2570 [0,1,0,0,0,0|0,0,0]=1 44 B6R0.3 CCC(O)C(C)C 8275AB [0,1,0,0,0,0|2,0,1]=4 45 B6R0.3 CC[C@H](N)C(N)=O V3235 [0,1,0,0,0,0|2,0,0]=3 46 B6R0.3 CN(C)C(=O)CN Z5718 [0,1,0,0,0,0|3,0,0]=4 47 B6R0.3 CN(C)C(=O)CO 4466AD [0,1,0,0,0,0|2,0,0]=3 48 B6R0.3 CNC(=O)C(C)Cl 3091AE [0,1,0,0,0,0|2,0,0]=3 49 B6R0.3 CNC(=O)C(F)Br 5096AE [0,1,0,0,0,0|3,0,0]=4 50 B6R0.3 CNC(=O)C(F)I 1593AF [0,1,0,0,0,0|3,0,0]=4 51 B6R0.3 CNC(C)C(=O)O 0549AP [0,1,0,0,0,0|1,0,0]=2 52 B6R0.3 COC(=N)C(C)C V5712 [0,1,0,0,0,0|2,0,0]=3 53 B6R0.3 COC(C)C(C)O V6491 [0,1,0,0,0,0|1,0,1]=3 54 B6R0.3 CON(C)C(=O)Cl 8593AL [0,1,0,0,0,0|2,0,0]=3 55 B6R0.3 C[C@@H](CN)C(=O)O 5650AC [0,1,0,0,0,0|1,0,0]=2 56 B6R0.3 C[C@H](CN)C(=O)O 5992AA [0,1,0,0,0,0|1,0,0]=2 57 B6R0.3 C[C@H](CO)C(=O)O 9933AA [0,1,0,0,0,0|0,0,0]=1 58 B6R0.3 C[C@H](O)[C@@H](N)CO W6337 [0,1,0,0,0,0|1,0,1]=3 59 B6R0.3 NC(=O)C(Cl)CCl 5220AL [0,1,0,0,0,0|2,0,0]=3 60 B6R0.3 NC(CCl)C(=O)O 1396AE [0,1,0,0,0,0|1,0,0]=2 61 B6R0.3 NCC(F)C(=O)O 5631AL [0,1,0,0,0,0|1,0,0]=2 62 B6R0.3 NCC(N)C(=O)O 3293AL [0,1,0,0,0,0|1,0,0]=2 63 B6R0.3 NCC(N)C(=O)O V0517 [0,1,0,0,0,0|1,0,0]=2 64 B6R0.3 NCC(O)C(=O)O X2972 [0,1,0,0,0,0|0,0,0]=1 65 B6R0.3 N[C@@H](CCl)C(=O)O W6670 [0,1,0,0,0,0|1,0,0]=2 66 B6R0.3 N[C@H](CCl)C(=O)O 3161AL [0,1,0,0,0,0|1,0,0]=2 67 B6R0.3 O=C(O)C(=O)CBr 7040AD [0,1,0,0,0,0|0,0,2]=3 68 B6R0.7 CC(=O)C(Cl)(Cl)Cl 4319AL [0,1,0,0,0,0|3,0,0]=4 69 B6R0.7 CC(C)(C)C(=O)[O-] 7339AJ [0,1,0,0,0,0|1,0,1]=3 70 B6R0.7 CC(C)(C)C(=O)[O-] 7340AJ [0,1,0,0,0,0|1,0,1]=3 71 B6R0.7 CC(C)(Cl)[N+](=O)[O-] 7043AF [0,1,0,0,0,0|2,0,1]=4 72 B6R0.7 CC(C)(F)C(=O)O 7217AE [0,1,0,0,0,0|1,0,0]=2 73 B6R0.7 CC(C)S(=O)(=O)[O-] 7068AF [0,1,0,0,0,0|2,0,1]=4 74 B6R0.7 CC(C)S(N)(=O)=O 2634AC [0,1,0,0,0,0|2,0,1]=4 75 B6R0.7 NC(=O)C(F)(F)Br F492 [0,1,0,0,0,0|3,0,0]=4 76 B6R0.7 O=C([O-])C(F)(F)Br 0441AF [0,1,0,0,0,0|2,0,1]=4 77 B6R1.11 NC(=S)C1CC1 6843AD [0,0,0,1,0,0|2,1,0]=4 78 B6R1.11 O=S([O-])C1CC1 V8957 [0,0,0,1,0,0|2,0,1]=4 79 B6R0.2 CC(=O)NC(C)=O 7247AF [0,0,0,0,0,1|1,0,2]=4 80 B6R0.2 CC(=O)NC(C)C X8984 [0,0,0,0,0,1|2,0,0]=3 81 B6R0.2 CC(C)NC(N)=O X3415 [0,0,0,0,0,1|2,0,0]=3 82 B6R0.2 CC(C)OC(N)=O 7274AF [0,0,0,0,0,1|2,0,0]=3 83 B6R0.2 CC(Cl)CC(=O)O 7238AF [0,0,0,0,0,1|1,0,0]=2 84 B6R0.2 CC(N)CC(=O)O 3162AL [0,0,0,0,0,1|1,0,0]=2 85 B6R0.2 CC(O)CC(C)O 5338AL [0,0,0,0,0,1|1,0,1]=3 86 B6R0.2 C[C@@H](N)CC(=O)O Z5926 [0,0,0,0,0,1|1,0,0]=2 87 B6R0.2 C[C@@H](O)C[C@@H](C)O 7396AJ [0,0,0,0,0,1|1,0,1]=3 88 B6R0.2 C[C@H](N)CC(=O)O W5861 [0,0,0,0,0,1|1,0,0]=2 89 B6R0.2 C[C@H](O)C[C@H](C)O 7398AJ [0,0,0,0,0,1|1,0,1]=3 90 B3R0.1 CCCN 8883AL [2,0,0,0,0,0|1,0,1]=4 91 B3R0.1 CCCS 7738AJ [2,0,0,0,0,0|0,1,1]=4 92 B3R0.1 CCNO X5655 [2,0,0,0,0,0|1,0,0]=3 93 B3R0.2 C=C(C)C 5301AF [2,0,0,0,0,0|1,0,1]=4 94 B3R0.2 CC(=N)N 6978AL [2,0,0,0,0,0|2,0,0]=4 95 B3R0.2 CC(=O)O 6852AF [2,0,0,0,0,0|0,0,0]=2 96 B3R0.2 CC(=O)[O-] 6843AF [2,0,0,0,0,0|0,0,1]=3 97 B3R0.2 NC(N)=O G570 [2,0,0,0,0,0|2,0,0]=4 98 B3R0.2 O=C([O-])O 6528AH [2,0,0,0,0,0|0,0,1]=3 99 B3R0.2 O=C([O-])[O-] 5334AF [2,0,0,0,0,0|0,0,2]=4 100 B3R0.2 O=C([O-])[O-] 7328AJ [2,0,0,0,0,0|0,0,2]=4 101 B3R0.2 O=C([O-])[O-] 7332AJ [2,0,0,0,0,0|0,0,2]=4 102 B3R0.2 O=C([O-])[O-] 8472AF [2,0,0,0,0,0|0,0,2]=4 103 B3R0.2 O=C([O-])[O-] 8476AF [2,0,0,0,0,0|0,0,2]=4 104 B3R0.2 O=C([O-])[O-] 8478AF [2,0,0,0,0,0|0,0,2]=4 105 B3R0.2 O=C([O-])[O-] V0893 [2,0,0,0,0,0|0,0,2]=4 106 B3R0.2 O=C([O-])[O-] X4664 [2,0,0,0,0,0|0,0,2]=4 107 B3R0.2 O=[Si](O)O 8695AF [2,0,0,0,0,0|0,1,0]=3 108 B3R0.2 OP(O)O 7182AB [2,0,0,0,0,0|1,0,1]=4 109 B3R0.2 O[In](O)O 8704AF [2,0,0,0,0,0|1,0,1]=4 110 B5R0.1 C=C(Br)CCO X2989 [1,1,0,0,0,0|2,0,0]=4 111 B5R0.1 C=C(C)CCBr Z4377 [1,1,0,0,0,0|2,0,0]=4 112 B5R0.1 C=C(C)CCC 5700AL [1,1,0,0,0,0|2,0,0]=4 113 B5R0.1 CC(C)OC=O 7262AF [1,1,0,0,0,0|1,0,0]=3 114 B5R0.1 CC(N)CCO Z2685 [1,1,0,0,0,0|1,0,1]=4 115 B5R0.1 CN(C)CC=O 4924AA [1,1,0,0,0,0|2,0,0]=4 116 B5R0.1 CNCC(=O)O 9764AB [1,1,0,0,0,0|0,0,0]=2 117 B5R0.1 CNOC(C)=O 8699AL [1,1,0,0,0,0|2,0,0]=4 118 B5R0.1 COCC(=N)N W4095 [1,1,0,0,0,0|2,0,0]=4 119 B5R0.1 COCC(C)=O U020 [1,1,0,0,0,0|1,0,0]=3 120 B5R0.1 COCC(C)N 0442AC [1,1,0,0,0,0|1,0,1]=4 121 B5R0.1 COC[C@@H](C)N W7467 [1,1,0,0,0,0|1,0,1]=4 122 B5R0.1 CSCC(C)=O Y1373 [1,1,0,0,0,0|1,0,0]=3 123 B5R0.1 CSCS(C)=O E772 [1,1,0,0,0,0|2,0,0]=4 124 B5R0.1 C[C@H](N)CCO W7371 [1,1,0,0,0,0|1,0,1]=4 125 B5R0.1 NCCC(N)=O 6432AB [1,1,0,0,0,0|1,0,0]=3 126 B5R0.1 NCCS(=O)O 0301AQ [1,1,0,0,0,0|1,0,0]=3 127 B5R0.1 O=C(O)CCI 7031AF [1,1,0,0,0,0|0,0,0]=2 128 B5R0.3 C=CC(=O)NC 3091AA [1,1,0,0,0,0|2,0,0]=4 129 B5R0.3 C=CC(C)C#N 5710AL [1,1,0,0,0,0|2,0,0]=4 130 B5R0.3 C=CC(C)CC 6094AL [1,1,0,0,0,0|2,0,0]=4 131 B5R0.3 C=CC(O)CC 7733AJ [1,1,0,0,0,0|1,0,0]=3 132 B5R0.3 C=CC(O)CO V0531 [1,1,0,0,0,0|1,0,0]=3 133 B5R0.3 C=C[C@@H](N)CO 3384AB [1,1,0,0,0,0|2,0,0]=4 134 B5R0.3 C=C[C@H](N)CO W4532 [1,1,0,0,0,0|2,0,0]=4 135 B5R0.3 CCC(=O)NC 7273AF [1,1,0,0,0,0|1,0,0]=3 136 B5R0.3 CCC(=O)NN 6023AE [1,1,0,0,0,0|1,0,0]=3 137 B5R0.3 CCC(C)C=O 7969AJ [1,1,0,0,0,0|1,0,0]=3 138 B5R0.3 CCC(O)CN 6349AA [1,1,0,0,0,0|1,0,1]=4 139 B5R0.3 CC[C@H](O)CO 1422AC [1,1,0,0,0,0|0,0,1]=3 140 B5R0.3 CC\C(N)=N\O 9295AD [1,1,0,0,0,0|1,0,0]=3 141 B5R0.3 CON(C)C=O 3547AB [1,1,0,0,0,0|1,0,0]=3 142 B5R0.3 COS(=O)OC 6871AF [1,1,0,0,0,0|2,0,0]=4 143 B5R0.3 CS\C(O)=[SH]/C K552 [1,1,0,0,0,0|1,1,0]=4 144 B5R0.3 NC(CO)CO V0534 [1,1,0,0,0,0|1,0,1]=4 145 B5R0.3 NCC(O)CCl Z2000 [1,1,0,0,0,0|1,0,1]=4 146 B5R0.3 NNC(=O)CO 4389AB [1,1,0,0,0,0|1,0,0]=3 147 B5R0.3 O=CC(O)CO 6635AH [1,1,0,0,0,0|0,0,0]=2 148 B5R0.3 OCC(S)CS F878 [1,1,0,0,0,0|0,1,1]=4 149 B5R0.4 C=CC(C)(C)C 5869AL [1,1,0,0,0,0|2,0,0]=4 150 B5R0.4 CC(C)(C)NO B804 [1,1,0,0,0,0|2,0,0]=4 151 B5R0.4 CC(C)(N)CO 4971AH [1,1,0,0,0,0|1,0,1]=4 152 B5R0.4 CCS(=O)(=O)[O-] 8987AL [1,1,0,0,0,0|1,0,1]=4 153 B5R0.4 CCS(C)(=O)=O F876 [1,1,0,0,0,0|1,0,1]=4 154 B5R0.4 O=CC(F)(F)F 3062AE [1,1,0,0,0,0|2,0,0]=4 155 B7R0.2 CC(=O)\C=C(\C)O[Rh] G765 [0,1,0,0,0,1|1,0,1]=4 156 B7R0.2 CC(C)NC(=O)CN 6712AE [0,1,0,0,0,1|2,0,0]=4 157 B7R0.2 CC(C)OC(=O)CN Y6052 [0,1,0,0,0,1|2,0,0]=4 158 B7R0.2 CCC(=O)CC(C)C 9385AB [0,1,0,0,0,1|2,0,0]=4 159 B7R0.2 CCC(=O)OC(C)C 7522AF [0,1,0,0,0,1|2,0,0]=4 160 B7R0.2 CCC(C)OC(C)=O 7525AF [0,1,0,0,0,1|2,0,0]=4 161 B7R0.2 CCC(N)CC(=O)O W4035 [0,1,0,0,0,1|1,0,0]=3 162 B7R0.2 CCN(C)CC(=O)O 9048AE [0,1,0,0,0,1|2,0,0]=4 163 B7R0.2 CC[C@H](C)CC(=O)O 4847AJ [0,1,0,0,0,1|1,0,0]=3 164 B7R0.2 COC(=O)CC(C)C 8842AJ [0,1,0,0,0,1|1,0,0]=3 165 B7R0.2 COC(=O)CN(C)C X7323 [0,1,0,0,0,1|2,0,0]=4 166 B7R0.2 C\C(CC(C)C)=N/O 6599AL [0,1,0,0,0,1|2,0,0]=4 167 B7R0.2 NC[C@H](O)CC(=O)O Z5048 [0,1,0,0,0,1|0,0,0]=2 168 B7R0.2 N[C@@H](CO)CC(=O)O W3594 [0,1,0,0,0,1|1,0,0]=3 169 B7R0.2 N[C@H](CO)CC(=O)O Z5676 [0,1,0,0,0,1|1,0,0]=3 170 B7R0.9 CC(C)(C)NC(N)=O 7334AF [0,1,0,0,0,1|2,0,0]=4 171 B7R0.16 CC(C)C(=O)C(=O)O 1796AC [0,1,0,0,0,1|1,0,0]=3 172 B7R0.16 CC(C)C(C)C(=O)O 6994AA [0,1,0,0,0,1|1,0,0]=3 173 B7R0.16 CC(C)C(N)C(N)=O 3528AF [0,1,0,0,0,1|2,0,0]=4 174 B7R0.16 CC(C)[C@@H](Br)C(=O)O N107 [0,1,0,0,0,1|1,0,0]=3 175 B7R0.16 CC(C)[C@H](Br)C(=O)O M886 [0,1,0,0,0,1|1,0,0]=3 176 B7R0.16 CC(C)[C@H](N)C(N)=O 7258AH [0,1,0,0,0,1|2,0,0]=4 177 B7R0.16 C[C@@H](C(=O)O)N(C)C 1280AL [0,1,0,0,0,1|2,0,0]=4 178 B7R0.5 C=CC[C@@H](N)C(=O)O 1695AA [0,2,0,0,0,0|1,0,0]=3 179 B7R0.5 C=COC(=O)C(=C)C 9402AL [0,2,0,0,0,0|1,0,1]=4 180 B7R0.5 CC(=O)N(C)CCO 4889AD [0,2,0,0,0,0|2,0,0]=4 181 B7R0.5 CC(C)C(=O)CC#N W5204 [0,2,0,0,0,0|2,0,0]=4 182 B7R0.5 CC(NC=O)C(=O)O 6246AE [0,2,0,0,0,0|0,0,1]=3 183 B7R0.5 CCC[C@H](N)C(N)=O Z6420 [0,2,0,0,0,0|2,0,0]=4 184 B7R0.5 CCOC(=O)C(Cl)Cl 7192AF [0,2,0,0,0,0|2,0,0]=4 185 B7R0.5 CCOC(=O)C(F)Cl 2611AE [0,2,0,0,0,0|2,0,0]=4 186 B7R0.5 CCOC(=O)C(F)I 2612AE [0,2,0,0,0,0|2,0,0]=4 187 B7R0.5 COCC(N)C(=O)O Z1926 [0,2,0,0,0,0|1,0,0]=3 188 B7R0.5 CSC[C@H](N)C(=O)O V1222 [0,2,0,0,0,0|1,0,0]=3 189 B7R0.5 NC(CCS)C(=O)O D600 [0,2,0,0,0,0|1,0,0]=3 190 B7R0.5 NCCC(N)C(=O)O X3169 [0,2,0,0,0,0|1,0,0]=3 191 B7R0.5 NCC[C@H](N)C(=O)O 0470AP [0,2,0,0,0,0|1,0,0]=3 192 B7R0.5 NCC[C@H](N)C(=O)O 7090AH [0,2,0,0,0,0|1,0,0]=3 193 B7R0.10 C=C(CO)C(=O)OC X7006 [0,2,0,0,0,0|0,0,2]=4 194 B7R0.10 C=C(OC)C(=O)OC 3529AL [0,2,0,0,0,0|0,0,2]=4 195 B7R0.10 C=CC(O)C(=O)OC 7788AL [0,2,0,0,0,0|0,0,1]=3 196 B7R0.10 CCC(C)C(=O)NN 8409AE [0,2,0,0,0,0|2,0,0]=4 197 B7R0.10 CC[C@H](O)C(=O)OC 9869AL [0,2,0,0,0,0|0,0,0]=2 198 B7R0.10 CNC(C)C(=O)OC 4207AJ [0,2,0,0,0,0|1,0,0]=3 199 B7R0.10 CN[C@@H](C)C(=O)OC V5398 [0,2,0,0,0,0|1,0,0]=3 200 B7R0.10 COC(=O)C(=O)CBr S720 [0,2,0,0,0,0|0,0,2]=4 201 B7R0.10 COC(=O)C(C)OC X3976 [0,2,0,0,0,0|0,0,0]=2 202 B7R0.10 COC(=O)[C@@H](C)CBr 4140AL [0,2,0,0,0,0|1,0,0]=3 203 B7R0.10 COC(=O)[C@@H](O)CO X8639 [0,2,0,0,0,0|0,0,0]=2 204 B7R0.10 COC(=O)[C@H](C)CBr 4182AL [0,2,0,0,0,0|1,0,0]=3 205 B7R0.10 COC(=O)[C@H](C)CO X3275 [0,2,0,0,0,0|0,0,0]=2 206 B7R0.10 COC(=O)[C@H](N)CCl 2170AA [0,2,0,0,0,0|1,0,0]=3 207 B7R0.10 COC(=O)[C@H](N)CS 8434AE [0,2,0,0,0,0|1,0,0]=3 208 B7R0.10 COC(=O)[C@H](O)CO 9042AH [0,2,0,0,0,0|0,0,0]=2 209 B7R0.10 C\C=C(/Br)C(=O)OC 3521AL [0,2,0,0,0,0|1,0,1]=4 210 B7R0.10 C\C=C(/C)C(=O)OC 8251AL [0,2,0,0,0,0|1,0,1]=4 211 B7R0.10 O=C(CO)[C@@H](O)CO 8755AJ [0,2,0,0,0,0|0,0,0]=2 212 B7R0.10 O[C@@H](CS)[C@@H](O)CS 7309AH [0,2,0,0,0,0|0,1,1]=4 213 B7R0.13 C=CC(C)(C)C(=O)O 0670AA [0,2,0,0,0,0|1,0,0]=3 214 B7R0.13 CC(=O)C(C)(C)C#N W5860 [0,2,0,0,0,0|2,0,0]=4 215 B7R0.13 CC(C)(C#N)C(=O)O 1332AB [0,2,0,0,0,0|1,0,0]=3 216 B7R0.13 CC(C)(CF)C(=O)O 9836AB [0,2,0,0,0,0|1,0,0]=3 217 B7R0.13 CC(C)(CN)C(=O)O 2121AJ [0,2,0,0,0,0|1,0,0]=3 218 B7R0.13 CCC(C)(C)C(C)=O 0596AB [0,2,0,0,0,0|2,0,0]=4 219 B7R0.13 CCC(F)(F)C(=O)O 8005AD [0,2,0,0,0,0|1,0,0]=3 220 B7R0.13 CC[C@@](C)(N)C(=O)O Q389 [0,2,0,0,0,0|1,0,0]=3 221 B7R0.14 CC(C)(C)C(=O)CN 3787AB [0,2,0,0,0,0|2,0,0]=4 222 B7R0.14 CCC(=O)C(C)(C)C Y9483 [0,2,0,0,0,0|2,0,0]=4 223 B7R0.14 CNC(=O)C(C)(C)Br V7364 [0,2,0,0,0,0|2,0,0]=4 224 B7R0.14 COC(=O)C(F)(F)Cl 8839AJ [0,2,0,0,0,0|2,0,0]=4 225 B7R0.15 CCC(CC)C(C)=O 6697AE [0,2,0,0,0,0|2,0,0]=4 226 B7R0.15 CCC(NC)C(N)=O 1348AD [0,2,0,0,0,0|2,0,0]=4 227 B7R0.15 CN[C@@H](CO)C(=O)O 0565AP [0,2,0,0,0,0|0,0,0]=2 228 B7R0.15 CN[C@@H](CO)C(=O)O Z5780 [0,2,0,0,0,0|0,0,0]=2 229 B5R1.2 NC1COC1 6668AB [1,0,0,1,0,0|1,0,1]=4 230 B5R1.2 O=C1CCN1 W9581 [1,0,0,1,0,0|1,0,0]=3 231 B5R1.2 O=C1CSC1 Z4430 [1,0,0,1,0,0|1,1,0]=4 232 B5R1.2 OC1CNC1 W6360 [1,0,0,1,0,0|1,0,1]=4 233 B5R1.3 C=CC1CO1 7293AL [1,0,0,1,0,0|1,0,0]=3 234 B5R1.3 CC[C@H]1CO1 7482AJ [1,0,0,1,0,0|1,0,1]=4 235 B7R1.2 CC1CCC(=O)N1 1659AA [0,0,0,1,0,1|2,0,0]=4 236 B7R1.2 CC1COC(=O)N1 5156AD [0,0,0,1,0,1|1,0,0]=3 237 B7R1.2 C[C@@H]1COC(=O)N1 5441AB [0,0,0,1,0,1|1,0,0]=3 238 B7R1.2 C[C@H]1COC(=O)N1 5440AB [0,0,0,1,0,1|1,0,0]=3 239 B7R1.2 O=C1OCC(Cl)O1 E933 [0,0,0,1,0,1|1,0,0]=3 240 B7R1.2 OC1CCC(O)C1 7614AJ [0,0,0,1,0,1|1,0,1]=4 241 B7R1.4 CC1CCNC1=O Y8455 [0,1,0,1,0,0|2,0,0]=4 242 B7R1.4 CC1CCOC1=O W3659 [0,1,0,1,0,0|1,0,0]=3 243 B7R1.4 CC1CSCC1=O 6972AB [0,1,0,1,0,0|1,1,0]=4 244 B7R1.4 CC1SCCC1=O 6512AA [0,1,0,1,0,0|1,1,0]=4 245 B7R1.4 NC1CCNC1=O 0020AD [0,1,0,1,0,0|2,0,0]=4 246 B7R1.4 NC1CONC1=O Z5032 [0,1,0,1,0,0|1,0,0]=3 247 B7R1.4 N[C@@H]1COC[C@H]1O 4689AJ [0,1,0,1,0,0|1,0,1]=4 248 B7R1.4 O=C1CCC=C1O X8732 [0,1,0,1,0,0|1,0,1]=4 249 B7R1.4 O=C1OCCC1O 0071AB [0,1,0,1,0,0|0,0,0]=2 250 B7R1.4 O=C1OCC[C@H]1O 8329AB [0,1,0,1,0,0|0,0,0]=2 251 B7R1.4 O=C1O[Ca]OC1=O 6793AF [0,1,0,1,0,0|1,0,1]=4 252 B7R1.4 O=C1O[Fe]OC1=O 6807AF [0,1,0,1,0,0|1,0,1]=4 253 B7R1.4 O=C1O[Fe]OC1=O 6808AF [0,1,0,1,0,0|1,0,1]=4 254 B7R1.4 OC1CCCC1O 5008AJ [0,1,0,1,0,0|1,0,1]=4 255 B7R1.4 O[C@@H]1CCC[C@H]1O 6973AB [0,1,0,1,0,0|1,0,1]=4 256 B7R1.4 O[C@H]1CNC[C@@H]1O Z5315 [0,1,0,1,0,0|1,0,1]=4 257 B7R1.18 CC(=O)C1CCC1 9513AD [0,1,0,1,0,0|2,0,0]=4 258 B7R1.18 O=C(O)C1CCN1 X2014 [0,1,0,1,0,0|1,0,0]=3 259 B7R1.18 O=C(O)C1COC1 X3417 [0,1,0,1,0,0|0,0,0]=2 260 B7R1.18 O=C(O)[C@@H]1CCN1 D297 [0,1,0,1,0,0|1,0,0]=3 261 B7R1.18 O=C(O)[C@H]1CCN1 Z4994 [0,1,0,1,0,0|1,0,0]=3 262 B7R1.19 NC(=O)C1(Br)CC1 0213AB [0,1,0,1,0,0|2,0,0]=4 263 B7R1.19 O=C(O)C1(Br)CC1 4830AC [0,1,0,1,0,0|1,0,0]=3 264 B7R1.22 N\C(=N/O)C1CC1 W6626 [0,1,0,1,0,0|2,0,0]=4 265 B7R1.22 [C@@H]1(C(=O)OC)CO1 4453AH [0,1,0,1,0,0|0,0,0]=2 266 B7R0.6 C=C(C)CCC(=O)O 0114AA [0,0,0,0,0,2|1,0,1]=4 267 B7R0.6 CC(C)OCC(=O)O 0549AE [0,0,0,0,0,2|1,0,0]=3 268 B7R0.6 CC(Cl)CCC(=O)Cl 6146AJ [0,0,0,0,0,2|2,0,0]=4 269 B7R0.6 CC(O)CCC(C)O Q324 [0,0,0,0,0,2|1,0,1]=4 270 B7R0.6 C[C@@H](O)CC[C@@H](C)O 4049AL [0,0,0,0,0,2|1,0,1]=4 271 B7R0.6 C[S+](C)CCC(=O)O 4030AL [0,0,0,0,0,2|2,0,0]=4 272 B7R0.6 O=C(O)\C=C\C(=O)O X2063 [0,0,0,0,0,2|1,0,1]=4