0 B7R0.1 C=CC\C=C\CCC 4639AL [0,0,0,0,0,0|2,0,2]=4 1 B7R0.1 CCCCCCNC Y1198 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.1 CCCCNCCC 6811AD [0,0,0,0,0,0|2,0,0]=2 3 B7R0.1 CC\C=C/CCCC 7443AL [0,0,0,0,0,0|2,0,1]=3 4 B7R0.1 COCCCCCBr Y7509 [0,0,0,0,0,0|3,0,0]=3 5 B7R0.1 COCOCCC#N 5718AJ [0,0,0,0,0,0|3,0,1]=4 6 B7R0.1 COCOCCC=O 5717AJ [0,0,0,0,0,0|3,0,1]=4 7 B7R0.1 C\C=C\C#CCCO 7743AC [0,0,0,0,0,0|1,0,3]=4 8 B6R0.6 C#CCOCCN 4990AL [1,0,0,0,0,0|1,0,2]=4 9 B6R0.6 CC=C=CCCO 1076AQ [1,0,0,0,0,0|0,0,3]=4 10 B6R0.6 CCCSCCN 1695AE [1,0,0,0,0,0|1,1,0]=3 11 B6R0.6 COCCCC=O Y8222 [1,0,0,0,0,0|1,0,2]=4 12 B6R0.6 N#CCCCCS 1133AQ [1,0,0,0,0,0|1,1,1]=4 13 B6R0.6 NNCCCCO 2732AL [1,0,0,0,0,0|2,0,0]=3 14 B8R0.1 CCCCC(O)CCC 7995AF [0,1,0,0,0,0|2,0,0]=3 15 B8R0.1 CCCC[C@H](N)CCO 2562AA [0,1,0,0,0,0|1,0,0]=2 16 B8R0.4 CCCCCC\C=C\I 0029AQ [0,1,0,0,0,0|2,0,1]=4 17 B8R0.4 O=CCCCCCCBr 3685AJ [0,1,0,0,0,0|1,0,2]=4 18 B8R0.6 CCCCCC(C)CC 6116AL [0,1,0,0,0,0|2,0,0]=3 19 B8R0.6 CCCCCC(O)CCl 7654AB [0,1,0,0,0,0|2,0,0]=3 20 B8R0.6 CCCCOC(C)CC AMTGC741 [0,1,0,0,0,0|1,0,0]=2 21 B8R0.6 CC[C@H](C)CCCCO 4205AL [0,1,0,0,0,0|1,0,0]=2 22 B8R0.6 COCCOC(=O)CCl 7354AL [0,1,0,0,0,0|2,0,1]=4 23 B8R0.7 C=C(Br)CCCCCC 3761AD [0,1,0,0,0,0|2,0,1]=4 24 B8R0.7 CC(C)CCCCCBr 4961AE [0,1,0,0,0,0|2,0,0]=3 25 B8R0.7 CC(C)CCCCCN 8012AF [0,1,0,0,0,0|2,0,0]=3 26 B8R0.7 CCCCC#CC(=O)O 5639AL [0,1,0,0,0,0|1,0,2]=4 27 B8R0.7 CCCCCCC(C)C 5738AL [0,1,0,0,0,0|2,0,0]=3 28 B8R0.7 CCCCCC[N+](=O)[O-] 7544AF [0,1,0,0,0,0|2,0,1]=4 29 B8R0.7 CCCCOCC(C)C AMTGC740 [0,1,0,0,0,0|1,0,0]=2 30 B8R1.2 BrCC1=CCCCC1 1457AL [0,0,0,1,0,0|2,0,1]=4 31 B8R1.2 BrCC1CCCCO1 Z3437 [0,0,0,1,0,0|1,0,0]=2 32 B8R1.2 BrCC1CCCNC1 5702AJ [0,0,0,1,0,0|3,0,0]=4 33 B8R1.2 BrCC1CCCNC1 7322AC [0,0,0,1,0,0|3,0,0]=4 34 B8R1.2 CC[C@@H]1CNCCN1 W6295 [0,0,0,1,0,0|2,0,0]=3 35 B8R1.2 CC[C@@H]1CNCCO1 5802AA [0,0,0,1,0,0|1,0,0]=2 36 B8R1.2 CC[C@H]1CNCCO1 1583AC [0,0,0,1,0,0|1,0,0]=2 37 B8R1.2 ClCC1CCCCO1 9636AA [0,0,0,1,0,0|1,0,0]=2 38 B8R1.2 ClCC1CCNCC1 6001AJ [0,0,0,1,0,0|3,0,0]=4 39 B8R1.2 FCC1CCCNC1 2978AD [0,0,0,1,0,0|3,0,0]=4 40 B8R1.2 N#CC1CNCCO1 6389AA [0,0,0,1,0,0|2,0,1]=4 41 B8R1.2 N#CC1COCCN1 6801AC [0,0,0,1,0,0|2,0,1]=4 42 B8R1.2 N#CC1COCCO1 7312AA [0,0,0,1,0,0|1,0,1]=3 43 B8R1.2 N#C[C@@H]1CCCCN1 1284AL [0,0,0,1,0,0|2,0,1]=4 44 B8R1.2 NCC1CCC=CO1 2289AL [0,0,0,1,0,0|1,0,2]=4 45 B8R1.2 NCC1COCCN1 5822AC [0,0,0,1,0,0|2,0,0]=3 46 B8R1.5 CC1CCNCC1O 2894AJ [0,0,0,1,0,0|1,0,0]=2 47 B8R1.5 C[C@@H]1CCCC[C@@H]1N 8411AH [0,0,0,1,0,0|2,0,0]=3 48 B8R1.5 C[C@@H]1CCNC[C@H]1O 4685AJ [0,0,0,1,0,0|1,0,0]=2 49 B8R1.5 C[C@H]1CCCC[C@@H]1O 9211AL [0,0,0,1,0,0|1,0,0]=2 50 B8R1.5 C[C@H]1CCCC[C@H]1N 8370AH [0,0,0,1,0,0|2,0,0]=3 51 B8R1.5 C[C@H]1CCCC[C@H]1N 8371AH [0,0,0,1,0,0|2,0,0]=3 52 B8R1.5 C[C@H]1COCC[C@H]1N 8239AE [0,0,0,1,0,0|2,0,0]=3 53 B8R1.5 N[C@@H]1CCCC[C@@H]1O 1658AA [0,0,0,1,0,0|2,0,0]=3 54 B8R1.5 N[C@H]1CCCC[C@H]1O 2200AB [0,0,0,1,0,0|2,0,0]=3 55 B8R1.5 O[C@H]1CNCC[C@H]1O 5209AB [0,0,0,1,0,0|2,0,0]=3 56 B8R1.8 BrCCC1CCCC1 9860AA [0,0,0,1,0,0|2,0,0]=3 57 B8R1.8 ClCCC1OCCO1 6026AB [0,0,0,1,0,0|1,0,0]=2 58 B8R1.8 NCCC1CCOC1 0563AC [0,0,0,1,0,0|3,0,0]=4 59 B8R1.8 O=CCC1OCCO1 5104AC [0,0,0,1,0,0|1,0,1]=3 60 B8R1.8 OCCC1CCCN1 1282AJ [0,0,0,1,0,0|2,0,0]=3 61 B8R1.8 OCCC1CCCN1 1283AJ [0,0,0,1,0,0|2,0,0]=3 62 B8R1.10 OCCCC1COC1 1984AB [0,0,0,1,0,0|2,0,0]=3 63 B8R1.11 NCC1CCCC1O 3854AC [0,0,0,1,0,0|2,0,0]=3 64 B8R1.11 N[C@@H]1CCC[C@H]1CO 5456AB [0,0,0,1,0,0|2,0,0]=3 65 B8R1.12 NC[C@@H]1CC[C@H]1CN 5574AD [0,0,0,1,0,0|3,0,0]=4 66 B8R1.22 CC1CCCNCC1 2641AE [0,0,0,1,0,0|2,0,0]=3 67 B8R1.22 O=C1COCCCN1 1535AL [0,0,0,1,0,0|1,0,2]=4 68 B8R1.36 CCCCCC1CO1 4463AL [0,0,0,1,0,0|1,0,0]=2 69 B5R0.2 CCSCCN 4637AB [2,0,0,0,0,0|1,1,0]=4 70 B7R0.3 CCCCC(=O)CCl 6831AD [1,1,0,0,0,0|1,0,1]=4 71 B7R0.3 CCCOC(C)CN 1653AF [1,1,0,0,0,0|1,0,0]=3 72 B7R0.3 CC\C=C\C(C)CC 6800AL [1,1,0,0,0,0|1,0,1]=4 73 B7R0.3 CNC(=O)CCCO 2742AL [1,1,0,0,0,0|1,0,1]=4 74 B7R0.3 COCO[C@@H](C)CO X7350 [1,1,0,0,0,0|1,0,0]=3 75 B7R0.3 C\C=C\CC(C)CC 6795AL [1,1,0,0,0,0|1,0,1]=4 76 B7R0.4 CC(C)NCCCN 0603AE [1,1,0,0,0,0|2,0,0]=4 77 B7R0.4 CC(O)CCCCO 7560AF [1,1,0,0,0,0|0,0,0]=2 78 B7R0.4 CCCCC[C@@H](C)N Z2122 [1,1,0,0,0,0|1,0,0]=3 79 B7R0.7 CCC[C@H](N)CCO 0636AC [1,1,0,0,0,0|0,0,0]=2 80 B7R0.7 CCC[C@H](N)CCO 9828AB [1,1,0,0,0,0|0,0,0]=2 81 B9R0.4 CCCCC(C)CC(=O)O 7656AB [0,2,0,0,0,0|1,0,1]=4 82 B9R0.18 CCCCC(C)CCCC 6803AL [0,2,0,0,0,0|2,0,0]=4 83 B9R0.18 CCCCN(C)CCCN 3945AD [0,2,0,0,0,0|2,0,0]=4 84 B9R0.35 CCCC(C)C(O)CCC 8147AF [0,2,0,0,0,0|2,0,0]=4 85 B9R0.45 CCCCCCCCCCl 8135AF [0,2,0,0,0,0|2,0,0]=4 86 B9R0.45 CCCCCCCCCS Q791 [0,2,0,0,0,0|1,1,0]=4 87 B9R0.45 COCCCNCCCN 8034AE [0,2,0,0,0,0|2,0,0]=4 88 B9R0.45 C\C=C/CCCCCCC 7421AL [0,2,0,0,0,0|2,0,0]=4 89 B9R0.46 CCCCCCC(C)CC 6115AL [0,2,0,0,0,0|2,0,0]=4 90 B9R0.46 CC[C@H](C)CCCCCO 4206AL [0,2,0,0,0,0|1,0,0]=3 91 B9R0.46 OCCCCCC(O)CO 4414AL [0,2,0,0,0,0|1,0,0]=3 92 B9R0.1 CCC(C)CCCC(C)C 5421AL [0,2,0,0,0,0|2,0,0]=4 93 B7R1.1 BrCC1CCCN1 X4014 [1,0,0,1,0,0|2,0,0]=4 94 B7R1.1 CCC1=CCCC1 4839AL [1,0,0,1,0,0|1,0,1]=4 95 B7R1.1 CCC1OCCO1 8516AD [1,0,0,1,0,0|0,0,0]=2 96 B7R1.1 CNC1CCCC1 W8261 [1,0,0,1,0,0|2,0,0]=4 97 B7R1.1 CNC1CCOC1 2338AF [1,0,0,1,0,0|1,0,0]=3 98 B7R1.1 CN[C@H]1CCOC1 9230AH [1,0,0,1,0,0|1,0,0]=3 99 B7R1.1 ClCC1CCCN1 1675AJ [1,0,0,1,0,0|2,0,0]=4 100 B7R1.1 ClCC1CCNC1 3920AC [1,0,0,1,0,0|2,0,0]=4 101 B7R1.1 ClCC1CCNC1 5321AH [1,0,0,1,0,0|2,0,0]=4 102 B7R1.1 ClC[C@H]1CCCN1 8958AH [1,0,0,1,0,0|2,0,0]=4 103 B7R1.1 FC[C@@H]1CCCN1 1290AF [1,0,0,1,0,0|2,0,0]=4 104 B7R1.1 FC[C@@H]1CCCN1 2327AC [1,0,0,1,0,0|2,0,0]=4 105 B7R1.1 NNC1CCCC1 W7612 [1,0,0,1,0,0|2,0,0]=4 106 B7R1.1 NN[C@H]1CCOC1 8686AH [1,0,0,1,0,0|2,0,0]=4 107 B7R1.1 OC[C@@H]1CCOC1 4598AA [1,0,0,1,0,0|1,0,0]=3 108 B7R1.3 BrC1CCCNC1 7813AB [1,0,0,1,0,0|2,0,0]=4 109 B7R1.3 ClC1CCCNC1 5322AH [1,0,0,1,0,0|2,0,0]=4 110 B7R1.3 ClC1CCCNC1 X3740 [1,0,0,1,0,0|2,0,0]=4 111 B7R1.4 BrC1CCCC1Br 1288AQ [1,0,0,1,0,0|2,0,0]=4 112 B7R1.4 CC1CNCC1C 1532AC [1,0,0,1,0,0|2,0,0]=4 113 B7R1.4 CC1CNCC1C 7526AB [1,0,0,1,0,0|2,0,0]=4 114 B7R1.4 NC1CCCC1N 3230AL [1,0,0,1,0,0|2,0,0]=4 115 B7R1.4 N[C@H]1CCC[C@H]1O 3503AB [1,0,0,1,0,0|1,0,0]=3 116 B7R1.4 O[C@H]1COC[C@@H]1O 1117AL [1,0,0,1,0,0|1,0,0]=3 117 B7R1.6 NCCC1COC1 4766AA [1,0,0,1,0,0|2,0,0]=4 118 B7R1.6 NNCC1CCC1 4798AC [1,0,0,1,0,0|2,0,0]=4 119 B7R1.6 O=CCC1CCC1 0019AC [1,0,0,1,0,0|0,0,2]=4 120 B7R1.7 O=CCCC1CC1 8213AB [1,0,0,1,0,0|0,0,2]=4 121 B7R1.7 OCCCC1CC1 8212AB [1,0,0,1,0,0|0,0,0]=2 122 B7R1.24 C1CCCOCC1 8040AL [1,0,0,1,0,0|0,0,0]=2 123 B9R1.2 CCC1CC(=O)CCN1 1709AJ [0,1,0,1,0,0|2,0,0]=4 124 B9R1.7 NCCN1CCC(O)C1 Y4334 [0,1,0,1,0,0|2,0,0]=4 125 B9R1.7 NCCN1CC[C@H](O)C1 W6844 [0,1,0,1,0,0|2,0,0]=4 126 B9R1.8 BrCCC1CCCCN1 8894AE [0,1,0,1,0,0|2,0,0]=4 127 B9R1.8 C=COC1CCCCO1 5809AL [0,1,0,1,0,0|1,0,1]=4 128 B9R1.8 COC[C@@H]1CNCCO1 7914AA [0,1,0,1,0,0|1,0,0]=3 129 B9R1.8 N#CCC1CCCOC1 1827AF [0,1,0,1,0,0|1,0,1]=4 130 B9R1.8 NNCC1CCCCC1 3969AJ [0,1,0,1,0,0|2,0,0]=4 131 B9R1.8 OCCC1CNCCN1 4749AE [0,1,0,1,0,0|2,0,0]=4 132 B9R1.8 OCCC1CNCCO1 1271AJ [0,1,0,1,0,0|1,0,0]=3 133 B9R1.8 OCCC1CNCCO1 6034AA [0,1,0,1,0,0|1,0,0]=3 134 B9R1.8 OCCC1COCCN1 5273AB [0,1,0,1,0,0|1,0,0]=3 135 B9R1.8 OCC[C@@H]1COCCN1 5478AC [0,1,0,1,0,0|1,0,0]=3 136 B9R1.8 OCC[C@H]1COCCN1 1846AC [0,1,0,1,0,0|1,0,0]=3 137 B9R1.12 BrCCCN1CCCC1 2284AA [0,1,0,1,0,0|2,0,0]=4 138 B9R1.12 C=CCOC1CCNC1 0342AD [0,1,0,1,0,0|1,0,1]=4 139 B9R1.12 CNCCC1OCCO1 5054AL [0,1,0,1,0,0|0,0,0]=2 140 B9R1.12 COCCC1CCCN1 3594AF [0,1,0,1,0,0|2,0,0]=4 141 B9R1.12 O=CCCC1OCCO1 Y4161 [0,1,0,1,0,0|0,0,1]=3 142 B9R1.15 CN1CCOCC1CN Z5034 [0,1,0,1,0,0|2,0,0]=4 143 B9R1.15 COC1CCNCC1C 2861AJ [0,1,0,1,0,0|2,0,0]=4 144 B9R1.15 N#CC1CCCCC1O 3235AB [0,1,0,1,0,0|1,0,1]=4 145 B9R1.15 N#C[C@@H]1CCCC[C@H]1O 0720AP [0,1,0,1,0,0|1,0,1]=4 146 B9R1.15 N[C@@H]1CCCC[C@@H]1CO 8475AJ [0,1,0,1,0,0|1,0,0]=3 147 B9R1.15 N[C@@H]1CCCC[C@H]1CO 4877AJ [0,1,0,1,0,0|1,0,0]=3 148 B9R1.15 O=C1CCCCC1CO 7564AB [0,1,0,1,0,0|1,0,0]=3 149 B9R1.15 OCC1CNCCC1O 2022AB [0,1,0,1,0,0|2,0,0]=4 150 B9R1.33 CN1CCCC1CCCl 9319AJ [0,1,0,1,0,0|2,0,0]=4 151 B9R1.33 CN1CCC[C@H]1CCO 9114AH [0,1,0,1,0,0|1,0,0]=3 152 B9R1.134 OCCC1(O)CCCC1 8871AE [0,1,0,1,0,0|1,0,0]=3 153 B9R1.5 BrC1CCCCCC1Br 3090AB [0,1,0,1,0,0|2,0,0]=4 154 B9R1.5 N[C@H]1CCCCC[C@@H]1O 0321AQ [0,1,0,1,0,0|1,0,0]=3 155 B9R1.17 CCCOCC1CNC1 4868AC [0,1,0,1,0,0|1,0,0]=3 156 B9R1.89 NNC1CCCCCC1 3964AJ [0,1,0,1,0,0|2,0,0]=4 157 B9R1.103 C1CCCCNCCC1 8287AB [0,1,0,1,0,0|2,0,0]=4 158 B9R1.1 CC[C@H]1CN[C@H](C)CN1 5106AC [0,1,0,1,0,0|2,0,0]=4 159 B9R1.1 N[C@H]1CC[C@H](CO)CC1 7282AA [0,1,0,1,0,0|1,0,0]=3 160 B9R1.3 CC1CCCC(C)C1C 4402AL [0,1,0,1,0,0|2,0,0]=4 161 B9R1.118 CC1(CBr)CCCCC1 5561AB [0,1,0,1,0,0|2,0,0]=4 162 B9R1.118 NCC1(N)CCCCC1 8307AH [0,1,0,1,0,0|2,0,0]=4 163 B9R1.118 OCC1(F)CCCCC1 X9192 [0,1,0,1,0,0|1,0,0]=3 164 B9R1.118 OCC1(F)CCNCC1 6309AC [0,1,0,1,0,0|2,0,0]=4 165 B9R1.118 OCC1(O)CCCNC1 3061AC [0,1,0,1,0,0|2,0,0]=4 166 B9R1.6 CC(=O)C1CNCCO1 9531AH [0,1,0,1,0,0|1,0,1]=4 167 B9R1.6 CC(C)[C@@H]1CNCCN1 4020AA [0,1,0,1,0,0|2,0,0]=4 168 B9R1.6 CC(C)[C@H]1CNCCN1 X9850 [0,1,0,1,0,0|2,0,0]=4 169 B9R1.6 O=C(O)[C@@H]1CNCCO1 7772AA [0,1,0,1,0,0|1,0,1]=4 170 B9R1.77 CC1(C)C[C@@H]1CCCBr 5624AA [0,1,0,1,0,0|2,0,0]=4 171 B9R1.148 CC1(C)CNCCCO1 3679AD [0,1,0,1,0,0|2,0,0]=4 172 B9R1.148 CC1(O)CCCNCC1 2830AJ [0,1,0,1,0,0|2,0,0]=4 173 B9R2.49 C1CC2CNC1CN2 1393AJ [0,0,0,2,0,0|2,0,0]=4 174 B9R2.49 C1CC2CNC1CN2 1394AJ [0,0,0,2,0,0|2,0,0]=4 175 B9R2.50 C1CN2CCC2CN1 9628AH [0,0,0,2,0,0|2,0,0]=4 176 B9R2.68 C1CC2CCC(C1)N2 3751AJ [0,0,0,2,0,0|2,0,0]=4 177 B9R2.68 [C@@H]12CC[C@@H](CNC1)C2 V1976 [0,0,0,2,0,0|2,0,0]=4 178 B9R2.70 [C@@H]12CN[C@H](CO)[C@@H]1C2 1811AA [0,0,0,2,0,0|1,0,0]=3 179 B9R2.174 C1CNCC2(C1)CC2 2038AB [0,0,0,2,0,0|2,0,0]=4 180 B9R2.174 C1COC2(CC2)CN1 2905AJ [0,0,0,2,0,0|1,0,0]=3 181 B9R2.174 C1COCC2(CC2)N1 3738AJ [0,0,0,2,0,0|1,0,0]=3 182 B9R2.174 C1COCC2(CC2)N1 3739AJ [0,0,0,2,0,0|1,0,0]=3 183 B9R2.39 ClC1CC2CCC1C2 1378AQ [0,0,0,2,0,0|2,0,0]=4 184 B9R2.2 C1CNC(C2CC2)C1 1686AJ [0,0,0,2,0,0|2,0,0]=4 185 B9R2.2 C1CNC(C2CC2)C1 1687AJ [0,0,0,2,0,0|2,0,0]=4 186 B9R2.173 C1CC2(CCO2)CN1 5615AA [0,0,0,2,0,0|2,0,0]=4 187 B9R2.52 C1CCC2OC2CC1 0011AQ [0,0,0,2,0,0|1,0,0]=3 188 B9R2.28 OCCC1CC12CC2 1824AL [0,0,0,2,0,0|1,0,0]=3 189 B9R2.69 C1CC1CNC2CC2 0956AB [0,0,0,2,0,0|2,0,0]=4