0 B7R1.3 BrC1CCCNC1 7813AB [0,0,0,0,0,0|2,0,1]=3 1 B7R1.3 CC1=NCCNC1 3262AJ [0,0,0,0,0,0|3,0,0]=3 2 B7R1.3 ClC1C=CCCC1 6027AL [0,0,0,0,0,0|1,0,3]=4 3 B7R1.3 ClC1CCCNC1 5322AH [0,0,0,0,0,0|2,0,1]=3 4 B7R1.3 ClC1CCCNC1 X3740 [0,0,0,0,0,0|2,0,1]=3 5 B7R1.3 NC1CC=CCC1 3965AJ [0,0,0,0,0,0|1,0,3]=4 6 B7R1.3 N[C@H]1CC=CCC1 8362AH [0,0,0,0,0,0|1,0,3]=4 7 B7R1.3 O=C1C=COCC1 2954AC [0,0,0,0,0,0|1,0,2]=3 8 B7R1.3 O=C1CNCCO1 W6328 [0,0,0,0,0,0|2,0,0]=2 9 B6R1.1 C1CSCCS1 U566 [1,0,0,0,0,0|2,0,0]=3 10 B8R1.2 BrC=C1CCCCC1 0651AQ [0,1,0,0,0,0|1,0,0]=2 11 B8R1.2 BrCC1=CCCCC1 1457AL [0,1,0,0,0,0|1,0,1]=3 12 B8R1.2 BrCC1CCCCO1 Z3437 [0,1,0,0,0,0|2,0,1]=4 13 B8R1.2 BrCC1CCCNC1 5702AJ [0,1,0,0,0,0|2,0,1]=4 14 B8R1.2 BrCC1CCCNC1 7322AC [0,1,0,0,0,0|2,0,1]=4 15 B8R1.2 C#CC1CCNCC1 1465AC [0,1,0,0,0,0|2,0,1]=4 16 B8R1.2 CNC1CCSCC1 7537AD [0,1,0,0,0,0|2,0,1]=4 17 B8R1.2 COC1=CCOCC1 Y5304 [0,1,0,0,0,0|1,0,2]=4 18 B8R1.2 ClCC1CCCCO1 9636AA [0,1,0,0,0,0|2,0,1]=4 19 B8R1.2 ClCC1CCNCC1 6001AJ [0,1,0,0,0,0|2,0,1]=4 20 B8R1.2 FCC1CCCNC1 2978AD [0,1,0,0,0,0|2,0,1]=4 21 B8R1.2 N#C[C@@H]1CCCCN1 1284AL [0,1,0,0,0,0|2,0,1]=4 22 B8R1.2 O=CC1CCNCC1 Y9263 [0,1,0,0,0,0|1,0,1]=3 23 B8R1.3 C=C1CCN(C)CC1 6500AA [0,1,0,0,0,0|2,0,0]=3 24 B8R1.3 CC1COC(=O)OC1 3991AC [0,1,0,0,0,0|2,0,0]=3 25 B8R1.3 CN1CCN(N)CC1 Y9034 [0,1,0,0,0,0|3,0,0]=4 26 B8R1.3 NC1CCC(F)CC1 X3853 [0,1,0,0,0,0|1,0,1]=3 27 B8R1.3 N[C@@H]1CCC(=O)NC1 0145AA [0,1,0,0,0,0|1,0,0]=2 28 B8R1.3 O=C1COC(=O)CN1 3606AL [0,1,0,0,0,0|2,0,1]=4 29 B8R1.4 CC1CCCC(=O)N1 6454AJ [0,1,0,0,0,0|1,0,0]=2 30 B8R1.4 CC1CCNC(=O)N1 V4468 [0,1,0,0,0,0|2,0,0]=3 31 B8R1.4 CC1CCNC(C)C1 W9513 [0,1,0,0,0,0|2,0,1]=4 32 B8R1.4 CN1CCC=C(Br)C1 1699AE [0,1,0,0,0,0|2,0,1]=4 33 B8R1.4 CN1CCCC(Br)C1 Z2702 [0,1,0,0,0,0|2,0,0]=3 34 B8R1.4 C[C@@H]1COCC(=O)N1 3435AA [0,1,0,0,0,0|2,0,0]=3 35 B8R1.4 C[C@H]1CN(C)CCN1 9093AH [0,1,0,0,0,0|3,0,0]=4 36 B8R1.4 C[C@H]1C[C@@H](O)CCO1 2705AC [0,1,0,0,0,0|1,0,2]=4 37 B8R1.4 C[C@H]1C[C@H](O)CCO1 8425AA [0,1,0,0,0,0|1,0,2]=4 38 B8R1.4 NC1CCCC(F)C1 5333AA [0,1,0,0,0,0|1,0,1]=3 39 B8R1.4 NC1CCNC(=O)C1 X9664 [0,1,0,0,0,0|1,0,0]=2 40 B8R1.4 N[C@@H]1CCC[C@H](O)C1 8414AH [0,1,0,0,0,0|0,0,2]=3 41 B8R1.4 N[C@H]1CCC[C@@H](O)C1 8379AH [0,1,0,0,0,0|0,0,2]=3 42 B8R1.4 N[C@H]1CCC[C@H](O)C1 8418AH [0,1,0,0,0,0|0,0,2]=3 43 B8R1.4 O=C1CCNC(=O)O1 9268AH [0,1,0,0,0,0|2,0,1]=4 44 B8R1.4 O=C1CNCC(=O)C1 4462AJ [0,1,0,0,0,0|1,0,1]=3 45 B8R1.5 CC1CCNCC1O 2894AJ [0,1,0,0,0,0|1,0,2]=4 46 B8R1.5 C[C@@H]1CCCC[C@@H]1N 8411AH [0,1,0,0,0,0|1,0,1]=3 47 B8R1.5 C[C@@H]1CCNC[C@H]1O 4685AJ [0,1,0,0,0,0|1,0,2]=4 48 B8R1.5 C[C@H]1CCCC[C@@H]1O 9211AL [0,1,0,0,0,0|0,0,2]=3 49 B8R1.5 C[C@H]1CCCC[C@H]1N 8370AH [0,1,0,0,0,0|1,0,1]=3 50 B8R1.5 C[C@H]1CCCC[C@H]1N 8371AH [0,1,0,0,0,0|1,0,1]=3 51 B8R1.5 C[C@H]1COCC[C@H]1N 8239AE [0,1,0,0,0,0|2,0,1]=4 52 B8R1.5 NC1CCCCC1=O Y8332 [0,1,0,0,0,0|0,0,0]=1 53 B8R1.5 N[C@@H]1CCCC[C@@H]1O 1658AA [0,1,0,0,0,0|0,0,2]=3 54 B8R1.5 N[C@H]1CCCC[C@H]1O 2200AB [0,1,0,0,0,0|0,0,2]=3 55 B8R1.5 O=C1CCCC=C1I 2099AL [0,1,0,0,0,0|0,0,2]=3 56 B8R1.5 O=C1CCCCC1F Z5041 [0,1,0,0,0,0|0,0,0]=1 57 B8R1.5 O=C1NCCC[C@H]1O 1192AB [0,1,0,0,0,0|1,0,0]=2 58 B8R1.5 O=C1NCCOC1=O 3605AL [0,1,0,0,0,0|2,0,1]=4 59 B8R1.5 O=C1OCCCC1O Y3190 [0,1,0,0,0,0|1,0,0]=2 60 B8R1.5 O[C@H]1CNCC[C@H]1O 5209AB [0,1,0,0,0,0|1,0,2]=4 61 B8R1.72 CC1(N)CCNCC1 0131AB [0,1,0,0,0,0|2,0,1]=4 62 B8R1.72 O=S1(=O)COCCN1 9610AH [0,1,0,0,0,0|3,0,0]=4 63 B8R1.72 O=S1(=O)NCCCN1 0315AC [0,1,0,0,0,0|3,0,0]=4 64 B6R0.1 CCCC(=O)OC 8838AJ [0,0,1,0,0,0|1,0,0]=2 65 B6R0.1 CCCC(Cl)CC 6028AL [0,0,1,0,0,0|1,0,1]=3 66 B6R0.1 CCCC(Cl)CCl 7311AF [0,0,1,0,0,0|2,0,1]=4 67 B6R0.1 COC(=N)CCCl 3040AC [0,0,1,0,0,0|3,0,0]=4 68 B6R0.1 COC(=N)CCCl W4440 [0,0,1,0,0,0|3,0,0]=4 69 B6R0.4 CC(C)=CCCO 1893AC [0,0,1,0,0,0|2,0,1]=4 70 B6R0.4 CC(N)CCCN U481 [0,0,1,0,0,0|2,0,1]=4 71 B6R0.4 CCCC[Sn](=O)O 8518AL [0,0,1,0,0,0|2,0,0]=3 72 B6R0.4 CCOCC(C)N 0535AD [0,0,1,0,0,0|2,0,1]=4 73 B6R0.4 C\C=C\CC(=O)O 6149AL [0,0,1,0,0,0|1,0,2]=4 74 B6R0.6 CCCSCCN 1695AE [0,0,1,0,0,0|2,0,1]=4 75 B6R0.6 COCCCC=O Y8222 [0,0,1,0,0,0|1,0,0]=2 76 B6R0.6 N#CCCCCS 1133AQ [0,0,1,0,0,0|2,0,1]=4 77 B6R0.6 NNCCCCO 2732AL [0,0,1,0,0,0|3,0,0]=4 78 B8R2.23 C1NCC2CC1C2 2816AB [0,0,0,1,0,0|2,0,1]=4 79 B8R2.23 C1NCC2CC1O2 Y7074 [0,0,0,1,0,0|1,0,2]=4 80 B8R2.23 C1OCC2CC1N2 Y8562 [0,0,0,1,0,0|2,0,1]=4 81 B8R2.25 C1CC2CC2CN1 2159AJ [0,0,0,1,0,0|2,0,1]=4 82 B8R2.25 C1CNC2CC2C1 1556AJ [0,0,0,1,0,0|2,0,1]=4 83 B6R1.2 BrC1CCNC1 Z2707 [0,0,0,0,1,0|2,0,1]=4 84 B6R1.2 CC1=CCCO1 0728AQ [0,0,0,0,1,0|2,0,1]=4 85 B6R1.2 ClC1CCOC1 X2032 [0,0,0,0,1,0|2,0,1]=4 86 B6R1.2 OC1CCSC1 Y1949 [0,0,0,0,1,0|1,0,2]=4 87 B8R1.22 CC1CCCNCC1 2641AE [0,0,0,0,0,1|1,0,1]=3 88 B8R1.22 O=C1COCCCN1 1535AL [0,0,0,0,0,1|1,0,0]=2 89 B5R0.1 CCNC(=O)Cl Y1298 [1,0,1,0,0,0|2,0,0]=4 90 B5R0.1 NCCC(N)=O 6432AB [1,0,1,0,0,0|2,0,0]=4 91 B5R0.2 CCSCCN 4637AB [1,0,1,0,0,0|2,0,0]=4 92 B5R0.2 O=CNCCO 0539AQ [1,0,1,0,0,0|2,0,0]=4 93 B5R0.3 CC[SiH](C)CC 8570AJ [1,0,1,0,0,0|1,1,0]=4 94 B7R0.2 CNC(=O)CC(C)N 5418AE [0,1,1,0,0,0|1,0,0]=3 95 B7R0.2 COC(=O)CC(C)N TMBA004 [0,1,1,0,0,0|1,0,0]=3 96 B7R0.3 C=CC(=O)NCCC 3769AL [0,1,1,0,0,0|0,0,2]=4 97 B7R0.3 CCCCC(=O)CCl 6831AD [0,1,1,0,0,0|1,0,0]=3 98 B7R0.3 CNC(=O)CCCO 2742AL [0,1,1,0,0,0|1,0,0]=3 99 B7R0.5 CCCC(C)C(C)C 5237AL [0,1,1,0,0,0|1,0,1]=4 100 B7R0.5 CCOC(=N)C(C)C 8345AC [0,1,1,0,0,0|2,0,0]=4 101 B7R0.7 CCC[C@H](N)CCO 0636AC [0,1,1,0,0,0|1,0,1]=4 102 B7R0.7 CCC[C@H](N)CCO 9828AB [0,1,1,0,0,0|1,0,1]=4 103 B7R0.7 CCOC(=O)NOC 2240AE [0,1,1,0,0,0|2,0,0]=4 104 B7R0.10 CCC(=O)C(=O)OC W5987 [0,1,1,0,0,0|1,0,1]=4 105 B7R0.10 CNC(=O)C(C)NC 7051AE [0,1,1,0,0,0|2,0,0]=4 106 B7R0.10 CNC(C)C(=O)OC TMA004 [0,1,1,0,0,0|2,0,0]=4 107 B7R0.10 COC(=O)C(Cl)CO 0534AQ [0,1,1,0,0,0|2,0,0]=4 108 B7R0.10 COC(=O)C(O)CN 7006AJ [0,1,1,0,0,0|2,0,0]=4 109 B7R0.11 CCCC(C)(C)CC 5876AL [0,1,1,0,0,0|1,0,1]=4 110 B7R0.4 C=C(C)CC\C=C\C 5695AL [0,1,1,0,0,0|1,0,1]=4 111 B7R0.4 CC(O)CCCCO 7560AF [0,1,1,0,0,0|0,0,2]=4 112 B7R0.4 CCCCC[C@@H](C)N Z2122 [0,1,1,0,0,0|1,0,1]=4 113 B7R0.4 NCCNCC(=O)O W4767 [0,1,1,0,0,0|2,0,0]=4 114 B7R0.6 CC(=O)CC[N+](=O)[O-] 2788AL [0,1,1,0,0,0|2,0,0]=4 115 B7R0.6 CC(C)=CCC(C)C 5373AL [0,1,1,0,0,0|1,0,1]=4 116 B7R0.6 CC(N)CCN(C)C 6120AD [0,1,1,0,0,0|2,0,0]=4 117 B7R0.8 CS(=O)(=O)CCCN Y9638 [0,1,1,0,0,0|2,0,0]=4 118 B7R0.8 CS(=O)(=O)CCC[NH3+] 8708AD [0,1,1,0,0,0|2,0,0]=4 119 B7R0.1 C=CC\C=C\CCC 4639AL [0,1,1,0,0,0|1,0,1]=4 120 B7R0.1 CCCCCCNC Y1198 [0,1,1,0,0,0|1,0,1]=4 121 B7R0.1 CCCCNCCC 6811AD [0,1,1,0,0,0|1,0,1]=4 122 B7R0.1 CC\C=C/CCC=O 8476AJ [0,1,1,0,0,0|0,0,1]=3 123 B7R0.1 CC\C=C/CCCC 7443AL [0,1,1,0,0,0|1,0,1]=4 124 B7R0.1 COCCCCCBr Y7509 [0,1,1,0,0,0|1,0,1]=4 125 B7R0.1 COCOCCC=O 5717AJ [0,1,1,0,0,0|1,0,0]=3 126 B7R1.1 CCC1=CCCC1 4839AL [0,1,0,0,1,0|1,0,1]=4 127 B7R1.1 CNC1CCCC1 W8261 [0,1,0,0,1,0|1,0,1]=4 128 B7R1.1 NNC1CCCC1 W7612 [0,1,0,0,1,0|1,0,1]=4 129 B7R1.2 CC1CNC(=O)C1 X7991 [0,1,0,0,1,0|1,0,0]=3 130 B7R1.2 CC1CNC(=O)O1 8398AC [0,1,0,0,1,0|2,0,0]=4 131 B7R1.2 CC1CSC(=O)S1 0954AB [0,1,0,0,1,0|2,0,0]=4 132 B7R1.2 CN1CC[C@H](N)C1 7273AD [0,1,0,0,1,0|2,0,0]=4 133 B7R1.2 CN1CC[C@H](N)C1 9108AH [0,1,0,0,1,0|2,0,0]=4 134 B7R1.2 C[C@H]1CC[C@@H](C)C1 7413AL [0,1,0,0,1,0|1,0,1]=4 135 B7R1.2 NC1CCC(O)C1 6561AA [0,1,0,0,1,0|0,0,2]=4 136 B7R1.2 N[C@@H]1CC[C@H](O)C1 0868AA [0,1,0,0,1,0|0,0,2]=4 137 B7R1.2 N[C@@H]1CNC(=O)C1 9184AH [0,1,0,0,1,0|1,0,0]=3 138 B7R1.2 N[C@H]1CC[C@H](O)C1 Z1703 [0,1,0,0,1,0|0,0,2]=4 139 B7R1.2 N[C@H]1CNC(=O)C1 9015AH [0,1,0,0,1,0|1,0,0]=3 140 B7R1.2 O=C1C=C[C@@H](O)C1 1307AL [0,1,0,0,1,0|0,0,2]=4 141 B7R1.2 O=C1C=C[C@H](O)C1 1131AL [0,1,0,0,1,0|0,0,2]=4 142 B7R1.2 O=C1CCC(F)C1 3909AA [0,1,0,0,1,0|0,0,0]=2 143 B7R1.2 O=C1C[C@@H](S)CN1 1221AL [0,1,0,0,1,0|1,0,0]=3 144 B7R1.4 BrC1CCCC1Br 1288AQ [0,1,0,0,1,0|1,0,1]=4 145 B7R1.4 CC1CSCC1=O 6972AB [0,1,0,0,1,0|1,0,0]=3 146 B7R1.4 NC1CCCC1N 3230AL [0,1,0,0,1,0|1,0,1]=4 147 B7R1.4 N[C@H]1CCC[C@H]1O 3503AB [0,1,0,0,1,0|0,0,2]=4 148 B7R1.4 N[C@H]1CCSC1=O 1317AA [0,1,0,0,1,0|1,0,0]=3 149 B7R1.4 O=C1CCNC1=O 4537AB [0,1,0,0,1,0|1,0,1]=4 150 B7R1.4 O=C1NCCC1Br 2391AL [0,1,0,0,1,0|1,0,0]=3 151 B7R1.14 CC1(N)CCCC1 0991AQ [0,1,0,0,1,0|1,0,1]=4 152 B7R1.14 C[Si]1(C)CCCC1 3234AL [0,1,0,0,1,0|1,1,0]=4 153 B9R1.5 BrC1CCCCCC1Br 3090AB [0,1,0,0,0,1|1,0,1]=4 154 B9R1.5 CN1CCCNCC1=O 8136AE [0,1,0,0,0,1|1,0,0]=3 155 B9R1.5 N[C@H]1CCCCC[C@@H]1O 0321AQ [0,1,0,0,0,1|0,0,2]=4 156 B9R1.5 N[C@H]1CSCCNC1=O 3471AF [0,1,0,0,0,1|1,0,0]=3 157 B9R1.49 CN1CCNC(=O)CC1 3270AC [0,1,0,0,0,1|1,0,0]=3 158 B9R1.49 O=C1CCNC(=O)CC1 3823AJ [0,1,0,0,0,1|0,0,1]=3 159 B9R1.89 NNC1CCCCCC1 3964AJ [0,1,0,0,0,1|1,0,1]=4 160 B9R1.148 CC1(O)CCCNCC1 2830AJ [0,1,0,0,0,1|0,0,2]=4 161 B9R1.148 O=S1(=O)NCCCCN1 9557AB [0,1,0,0,0,1|2,0,0]=4 162 B9R1.1 C=C1CCC(CBr)CC1 9470AE [0,2,0,0,0,0|1,0,0]=3 163 B9R1.1 CN1CCC(C=O)CC1 W6593 [0,2,0,0,0,0|1,0,1]=4 164 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 W4603 [0,2,0,0,0,0|0,0,2]=4 165 B9R1.1 CN[C@H]1CC[C@H](C)CC1 4693AJ [0,2,0,0,0,0|1,0,1]=4 166 B9R1.1 COC1=CCC(O)CC1 0663AC [0,2,0,0,0,0|0,0,2]=4 167 B9R1.1 COC1CCN(N)CC1 8590AA [0,2,0,0,0,0|2,0,0]=4 168 B9R1.1 N#CC1CCC(N)CC1 2646AJ [0,2,0,0,0,0|1,0,1]=4 169 B9R1.1 N#CC1CCC(O)CC1 W4762 [0,2,0,0,0,0|0,0,2]=4 170 B9R1.1 NCC1CCC(=O)CC1 5848AC [0,2,0,0,0,0|0,0,0]=2 171 B9R1.1 N[C@H]1CC[C@H](CO)CC1 7282AA [0,2,0,0,0,0|0,0,2]=4 172 B9R1.2 CCC1CC(=O)CCN1 1709AJ [0,2,0,0,0,0|1,0,0]=3 173 B9R1.2 CCC1CCCC(=O)N1 7643AB [0,2,0,0,0,0|1,0,0]=3 174 B9R1.2 CCN1CCCC(=O)C1 2923AE [0,2,0,0,0,0|1,0,0]=3 175 B9R1.2 CCN1CCCC(N)C1 0464AC [0,2,0,0,0,0|2,0,0]=4 176 B9R1.2 CN1CCCC(C=O)C1 Z2329 [0,2,0,0,0,0|1,0,1]=4 177 B9R1.2 N#C[C@@H]1CCC[C@H](N)C1 4161AD [0,2,0,0,0,0|1,0,1]=4 178 B9R1.2 NCC1CCCC(=O)N1 3337AJ [0,2,0,0,0,0|1,0,0]=3 179 B9R1.6 CC(=O)N1CCNCC1 Y1341 [0,2,0,0,0,0|2,0,0]=4 180 B9R1.6 CC(C)=C1CCNCC1 0782AF [0,2,0,0,0,0|2,0,0]=4 181 B9R1.6 O=C(O)C1=CCCNC1 Y1163 [0,2,0,0,0,0|1,0,1]=4 182 B9R1.6 O=C(O)C1=CCNCC1 7359AE [0,2,0,0,0,0|1,0,1]=4 183 B9R1.6 O=C([O-])C1CCCCC1 6421AA [0,2,0,0,0,0|0,0,1]=3 184 B9R1.6 O=[N+]([O-])C1CCOCC1 3680AD [0,2,0,0,0,0|1,0,1]=4 185 B9R1.8 C=C=CC1CCCCC1 X3409 [0,2,0,0,0,0|1,0,1]=4 186 B9R1.8 NNCC1CCCCC1 3969AJ [0,2,0,0,0,0|1,0,1]=4 187 B9R1.8 O=CCN1CCCCC1 X3787 [0,2,0,0,0,0|1,0,0]=3 188 B9R1.8 O=CCN1CCOCC1 2810AA [0,2,0,0,0,0|2,0,0]=4 189 B9R1.15 CCC1NCCNC1=O 5065AC [0,2,0,0,0,0|2,0,0]=4 190 B9R1.15 COC1=CCCCC1=O 1767AJ [0,2,0,0,0,0|0,0,2]=4 191 B9R1.15 COC1CNCCC1=O 2327AJ [0,2,0,0,0,0|1,0,0]=3 192 B9R1.15 N#CC1CCCCC1O 3235AB [0,2,0,0,0,0|0,0,2]=4 193 B9R1.15 N#CC1CNCCC1=O W4111 [0,2,0,0,0,0|1,0,0]=3 194 B9R1.15 N#C[C@@H]1CCCC[C@H]1O 0720AP [0,2,0,0,0,0|0,0,2]=4 195 B9R1.15 N[C@@H]1CCCC[C@@H]1CO 8475AJ [0,2,0,0,0,0|0,0,2]=4 196 B9R1.15 N[C@@H]1CCCC[C@H]1CO 4877AJ [0,2,0,0,0,0|0,0,2]=4 197 B9R1.15 O=C1CCCCC1CO 7564AB [0,2,0,0,0,0|0,0,0]=2 198 B9R1.118 C#CC1(C)CCCCC1 2800AB [0,2,0,0,0,0|1,0,1]=4 199 B9R1.118 CC1(CBr)CCCCC1 5561AB [0,2,0,0,0,0|1,0,1]=4 200 B9R1.118 NCC1(N)CCCCC1 8307AH [0,2,0,0,0,0|1,0,1]=4 201 B9R1.118 O=CC1(F)CCOCC1 1953AA [0,2,0,0,0,0|1,0,1]=4 202 B9R1.118 OCC1(F)CCCCC1 X9192 [0,2,0,0,0,0|0,0,2]=4 203 B9R1.10 CC1(N)CCC(O)CC1 2632AJ [0,2,0,0,0,0|0,0,2]=4 204 B9R1.10 O=S1(=O)CCC(Cl)CC1 2758AJ [0,2,0,0,0,0|1,0,0]=3 205 B9R1.10 O=S1(=O)CCN(O)CC1 5125AD [0,2,0,0,0,0|2,0,0]=4 206 B9R1.69 C[C@H]1CN(C)C(=O)CN1 1465AA [0,2,0,0,0,0|2,0,0]=4 207 B9R1.69 N[C@H]1C[C@@H](O)CNC1=O 1642AC [0,2,0,0,0,0|1,0,0]=3 208 B9R1.3 CC1CCCC(C)C1C 4402AL [0,2,0,0,0,0|1,0,1]=4 209 B9R1.3 CN1CCCC(N)C1=O 2119AJ [0,2,0,0,0,0|1,0,0]=3 210 B9R1.3 CN1CCC[C@@H](N)C1=O 8989AH [0,2,0,0,0,0|1,0,0]=3 211 B9R1.3 CN1CCC[C@H](N)C1=O 6486AC [0,2,0,0,0,0|1,0,0]=3 212 B9R1.3 CN1CCC[C@H](N)C1=O 9155AH [0,2,0,0,0,0|1,0,0]=3 213 B9R1.34 CN1CC(O)CC(O)C1 5563AB [0,2,0,0,0,0|2,0,0]=4 214 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)N1 3928AJ [0,2,0,0,0,0|1,0,0]=3 215 B9R1.66 CC1(C)CC(=O)CCN1 1325AJ [0,2,0,0,0,0|1,0,0]=3 216 B9R1.66 CC1(C)CSCC(=O)C1 6245AD [0,2,0,0,0,0|1,0,0]=3 217 B9R1.66 CC1CCCC(C)(C)C1 8129AF [0,2,0,0,0,0|1,0,1]=4 218 B9R1.66 NC1CCCC(F)(F)C1 W9529 [0,2,0,0,0,0|1,0,1]=4 219 B9R1.40 CC1(C)CCCCC1=O X4695 [0,2,0,0,0,0|0,0,0]=2 220 B9R1.40 CC1(C)CNCCC1=O 7548AA [0,2,0,0,0,0|1,0,0]=3 221 B9R1.40 NC1CCCCC1(F)F 5567AC [0,2,0,0,0,0|1,0,1]=4 222 B7R1.15 C[C@@H]1NC(=O)[C@H]1N Z1696 [0,0,1,1,0,0|2,0,0]=4 223 B7R1.12 CC1CC1C(N)=O 0078AF [0,0,1,1,0,0|1,0,0]=3 224 B7R1.18 O=C(O)C1CSC1 1921AC [0,0,1,1,0,0|2,0,0]=4 225 B7R1.20 N=C(N)CC1CC1 0968AB [0,0,1,1,0,0|2,0,0]=4 226 B7R1.24 C1=CCCNCC1 X2002 [0,0,1,1,0,0|2,0,0]=4 227 B7R1.24 C1CCCOCC1 8040AL [0,0,1,1,0,0|0,0,2]=4 228 B7R2.13 C1=CC2OC2C1 1066AC [1,0,0,1,0,0|1,0,1]=4 229 B7R2.13 C1CC2CC2N1 1554AJ [1,0,0,1,0,0|1,0,0]=3 230 B9R2.7 [C@H]12C=CC[C@H]1C(=O)C2 1037AC [0,0,0,1,0,1|0,0,1]=3 231 B9R2.52 C1CCC2OC2CC1 0011AQ [0,0,0,1,0,1|0,0,2]=4 232 B9R2.68 C1CC2CCC(C1)N2 3751AJ [0,0,0,1,0,1|1,0,1]=4 233 B9R2.68 [C@@H]12CC[C@@H](CNC1)C2 V1976 [0,0,0,1,0,1|1,0,1]=4 234 B9R2.54 [C@@H]12CN(C)C[C@@H]1[C@H]2N 5287AD [0,1,0,1,0,0|2,0,0]=4 235 B9R2.8 CN1CC2CC(C1)N2 2336AJ [0,1,0,1,0,0|2,0,0]=4 236 B9R2.39 ClC1CC2CCC1C2 1378AQ [0,1,0,1,0,0|1,0,1]=4 237 B9R2.39 O=C1CN2CCC1C2 4321AA [0,1,0,1,0,0|1,0,0]=3 238 B9R2.39 [C@@H]12CCN(CC1=O)C2 0921AB [0,1,0,1,0,0|1,0,0]=3 239 B9R2.39 [C@H]12C=C(C)[C@H](CC1)C2 2133AL [0,1,0,1,0,0|1,0,1]=4 240 B5R1.2 O=C1CNC1 3824AJ [0,0,0,0,2,0|1,0,0]=3 241 B9R1.50 NC1C=CCCCCC1 5931AD [0,0,0,0,0,2|1,0,1]=4