0 B7R1.1 CO[C@@H]1CCNC1 Z2120 [0,0,0,0,0,0|4,0,0]=4 1 B7R1.1 CO[C@H]1CCNC1 Z2151 [0,0,0,0,0,0|4,0,0]=4 2 B7R1.1 ClCC1CCCN1 1258AJ [0,0,0,0,0,0|2,0,0]=2 3 B7R1.1 Cl[Mg]C1CCCC1 Z3121 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.1 N#CC1CCCN1 Y9476 [0,0,0,0,0,0|2,0,1]=3 5 B6R1.2 CC1C=COC1 8769AA [1,0,0,0,0,0|2,0,1]=4 6 B6R1.2 ClC1CCNC1 X3739 [1,0,0,0,0,0|3,0,0]=4 7 B6R1.2 NC1CCCC1 0142AP [1,0,0,0,0,0|2,0,0]=3 8 B6R1.2 NN1CCCC1 9623AB [1,0,0,0,0,0|3,0,0]=4 9 B6R1.2 OC1CC=CC1 X4956 [1,0,0,0,0,0|1,0,2]=4 10 B6R1.2 OC1CCCO1 5572AJ [1,0,0,0,0,0|0,0,0]=1 11 B8R1.1 CCC1OCC(C)O1 3360AE [0,1,0,0,0,0|2,0,0]=3 12 B8R1.7 CC(=O)C1CCCN1 1442AJ [0,1,0,0,0,0|1,0,2]=4 13 B8R1.7 CC(C)N1CCCC1 5860AD [0,1,0,0,0,0|3,0,0]=4 14 B8R1.7 C[C@@H](N)C1CCCC1 8945AH [0,1,0,0,0,0|2,0,0]=3 15 B8R1.7 OC(=S)[C@H]1CCCO1 X5836 [0,1,0,0,0,0|0,0,1]=2 16 B8R1.8 CCCC1CCCC1 7958AF [0,1,0,0,0,0|2,0,0]=3 17 B8R1.8 NOCC1CCCC1 3261AC [0,1,0,0,0,0|1,0,0]=2 18 B8R1.8 OCCC1CCNC1 3526AF [0,1,0,0,0,0|2,0,0]=3 19 B8R1.11 OC[C@@H]1CC=C[C@@H]1O 2847AH [0,1,0,0,0,0|1,0,2]=4 20 B8R1.52 CC1(C=O)OCCO1 5076AB [0,1,0,0,0,0|1,0,2]=4 21 B6R0.1 BrCCC(Br)CBr F672 [0,0,1,0,0,0|3,0,0]=4 22 B6R0.1 CC(CN)CCN 7844AA [0,0,1,0,0,0|3,0,0]=4 23 B6R0.1 CCCC(Br)CBr R241 [0,0,1,0,0,0|2,0,0]=3 24 B6R0.1 CCCC(N)CC 7574AF [0,0,1,0,0,0|2,0,0]=3 25 B6R0.1 CCC[C@@H](C)CO N835 [0,0,1,0,0,0|1,0,0]=2 26 B6R0.1 CCOC(=O)CF C411 [0,0,1,0,0,0|2,0,1]=4 27 B6R0.1 CCOC(Br)CBr V0731 [0,0,1,0,0,0|2,0,0]=3 28 B6R0.1 CC[C@@H](N)COC 8544AH [0,0,1,0,0,0|3,0,0]=4 29 B6R0.1 CC[C@H](N)COC 8568AH [0,0,1,0,0,0|3,0,0]=4 30 B6R0.1 C\C=C\C(C)CC 6598AL [0,0,1,0,0,0|2,0,1]=4 31 B6R0.1 N#CC[C@H](O)CO Q266 [0,0,1,0,0,0|1,0,1]=3 32 B6R0.1 OCC[C@@H](O)CCl Z2057 [0,0,1,0,0,0|2,0,0]=3 33 B6R0.1 OCC[C@H](O)CCl Z2061 [0,0,1,0,0,0|2,0,0]=3 34 B6R0.6 C#CCCCCBr 0285AC [0,0,1,0,0,0|2,0,1]=4 35 B6R0.6 CCCCCCF 7535AF [0,0,1,0,0,0|2,0,0]=3 36 B6R0.6 OCCOCCS 5680AL [0,0,1,0,0,0|1,0,0]=2 37 B6R0.9 C=CC(CC)CO 7511AB [0,0,1,0,0,0|1,0,1]=3 38 B6R0.9 CCN(CC)CC 9279AL [0,0,1,0,0,0|3,0,0]=4 39 B6R0.9 CC[NH+](CC)CC X5323 [0,0,1,0,0,0|3,0,0]=4 40 B6R0.9 CC[O+](CC)CC 0270AP [0,0,1,0,0,0|3,0,0]=4 41 B6R0.9 CC[O+](CC)CC 0741AP [0,0,1,0,0,0|3,0,0]=4 42 B8R2.34 C1CC2CCC1N2 2690AB [0,0,0,1,0,0|2,0,0]=3 43 B8R2.34 [C@H]12CN[C@H](CN1)C2 8423AH [0,0,0,1,0,0|2,0,0]=3 44 B8R2.34 [C@H]12CO[C@H](CN1)C2 Y7693 [0,0,0,1,0,0|1,0,0]=2 45 B8R2.55 C1CC2(CO1)CO2 9709AA [0,0,0,1,0,0|2,0,0]=3 46 B6R1.6 CNC1COC1 4219AF [0,0,0,0,1,0|3,0,0]=4 47 B6R1.6 [C-]#[N+]C1CCC1 2868AF [0,0,0,0,1,0|2,0,0]=3 48 B8R1.2 BrCN1CCOCC1 Y1575 [0,0,0,0,0,1|3,0,0]=4 49 B8R1.2 BrCN1CCOCC1 Y1582 [0,0,0,0,0,1|3,0,0]=4 50 B8R1.2 CCC1=NCCCC1 Y7557 [0,0,0,0,0,1|2,0,1]=4 51 B8R1.2 CC[C@H]1CCCCN1 1287AL [0,0,0,0,0,1|2,0,0]=3 52 B8R1.2 COC1CCCCO1 7544AE [0,0,0,0,0,1|2,0,0]=3 53 B8R1.2 ClCC1CCCCC1 2451AB [0,0,0,0,0,1|2,0,0]=3 54 B8R1.2 ClCC1CCCCN1 2061AL [0,0,0,0,0,1|2,0,0]=3 55 B8R1.2 ClCC1CCNCC1 8572AB [0,0,0,0,0,1|2,0,0]=3 56 B8R1.2 ClCN1CCOCC1 Y1583 [0,0,0,0,0,1|3,0,0]=4 57 B8R1.2 ICC1CCCCN1 Z2411 [0,0,0,0,0,1|2,0,0]=3 58 B8R1.2 NCC1CNCCN1 9394AJ [0,0,0,0,0,1|2,0,0]=3 59 B8R1.2 NNC1CCCCC1 7551AF [0,0,0,0,0,1|3,0,0]=4 60 B8R1.2 O=CC1CCCCN1 Z3377 [0,0,0,0,0,1|1,0,2]=4 61 B8R1.2 OC[C@H]1CNCCN1 W3267 [0,0,0,0,0,1|1,0,0]=2 62 B5R0.1 C=CC[C@@H](C)O 1174AL [1,0,1,0,0,0|0,0,2]=4 63 B5R0.1 CC#C[C@H](C)O S982 [1,0,1,0,0,0|0,0,2]=4 64 B5R0.1 CC(Cl)CCBr 7250AF [1,0,1,0,0,0|2,0,0]=4 65 B5R0.1 CC(O)CC=O 7261AF [1,0,1,0,0,0|1,0,1]=4 66 B5R0.1 CCCC(C)I 7327AF [1,0,1,0,0,0|1,0,0]=3 67 B5R0.1 CCO[PH](C)=O 8330AA [1,0,1,0,0,0|1,0,1]=4 68 B5R0.1 C[C@H](O)CC#N W1944 [1,0,1,0,0,0|1,0,1]=4 69 B5R0.2 FCCCCF 1855AE [1,0,1,0,0,0|2,0,0]=4 70 B5R0.2 NCCCCCl 5846AB [1,0,1,0,0,0|2,0,0]=4 71 B5R0.3 CCC(N)CN Y2034 [1,0,1,0,0,0|2,0,0]=4 72 B5R0.3 CC[C@H](C)C#N 1254AL [1,0,1,0,0,0|1,0,1]=4 73 B5R0.3 C[C@@H](CO)CBr 6877AC [1,0,1,0,0,0|1,0,0]=3 74 B5R0.3 NC[C@@H](O)CCl Z2104 [1,0,1,0,0,0|2,0,0]=4 75 B5R0.3 NC[C@H](O)CCl Z2048 [1,0,1,0,0,0|2,0,0]=4 76 B5R0.3 OCC(O)CF 6245AB [1,0,1,0,0,0|1,0,0]=3 77 B5R0.3 OC[C@@H](O)CBr 7112AA [1,0,1,0,0,0|1,0,0]=3 78 B5R0.3 OC[C@H](O)CBr 6586AA [1,0,1,0,0,0|1,0,0]=3 79 B5R1.1 C1CCOC1 V2332 [2,0,0,0,0,0|0,0,0]=2 80 B5R1.1 C1CNNC1 4465AJ [2,0,0,0,0,0|2,0,0]=4 81 B5R1.1 C1CNOC1 4176AJ [2,0,0,0,0,0|1,0,0]=3 82 B7R0.3 CCC(C)OCCO 1705AL [0,1,1,0,0,0|1,0,0]=3 83 B7R0.3 CCCCC(N)CC 7820AF [0,1,1,0,0,0|2,0,0]=4 84 B7R0.3 NCC(Cl)CCCCl 1747AA [0,1,1,0,0,0|2,0,0]=4 85 B7R0.5 CCCC(O)C(C)=O X3438 [0,1,1,0,0,0|0,0,2]=4 86 B7R0.7 CCOP(C)OCC R038 [0,1,1,0,0,0|2,0,0]=4 87 B7R0.11 C#CC(C)(O)CCC 7764AF [0,1,1,0,0,0|1,0,1]=4 88 B7R0.1 C=CCOCCOC 9825AA [0,1,1,0,0,0|0,0,2]=4 89 B7R0.1 CCCCOCCBr 7502AE [0,1,1,0,0,0|1,0,0]=3 90 B7R0.1 CCCNCCC#N 8736AE [0,1,1,0,0,0|2,0,0]=4 91 B7R0.1 CCCOCCCO 9024AJ [0,1,1,0,0,0|0,0,0]=2 92 B7R0.1 OCCCNCCCl B648 [0,1,1,0,0,0|1,0,0]=3 93 B7R0.4 CC(C)CCCCCl 3854AB [0,1,1,0,0,0|2,0,0]=4 94 B7R0.4 CCCCCC(C)N 5131AF [0,1,1,0,0,0|2,0,0]=4 95 B7R0.4 NC(=O)COCCO 7275AF [0,1,1,0,0,0|1,0,1]=4 96 B7R0.4 N[C@@H](C)CCCCC Z2154 [0,1,1,0,0,0|2,0,0]=4 97 B7R0.15 CCC(CO)[N+](=O)[O-] 7276AF [0,1,1,0,0,0|2,0,0]=4 98 B7R0.15 CC[C@H](CO)C(=O)O 1257AC [0,1,1,0,0,0|2,0,0]=4 99 B7R1.2 CC1CCC(=O)C1 7470AF [1,1,0,0,0,0|1,0,1]=4 100 B7R1.2 CC1CCC(C)N1 Y8778 [1,1,0,0,0,0|1,0,0]=3 101 B7R1.2 C[C@@H]1CC[C@@H](C)N1 8295AH [1,1,0,0,0,0|1,0,0]=3 102 B7R1.2 C[C@@H]1CC[C@@H](C)N1 8559AH [1,1,0,0,0,0|1,0,0]=3 103 B7R1.2 C[C@H]1CC[C@H](C)N1 8586AH [1,1,0,0,0,0|1,0,0]=3 104 B7R1.2 N[C@@H]1CC[C@@H](O)C1 6258AC [1,1,0,0,0,0|1,0,0]=3 105 B7R1.4 CC1=C(S)CCO1 R544 [1,1,0,0,0,0|0,0,2]=4 106 B7R1.4 C[C@@H]1CCC[C@H]1O S086 [1,1,0,0,0,0|1,0,0]=3 107 B7R1.4 N[C@@H]1CCC[C@H]1N X3520 [1,1,0,0,0,0|2,0,0]=4 108 B7R1.4 N[C@@H]1CCC[C@H]1O 0541AC [1,1,0,0,0,0|1,0,0]=3 109 B7R1.4 O[C@H]1CNC[C@H]1O 5860AA [1,1,0,0,0,0|2,0,0]=4 110 B7R1.14 CC1(C)CCNC1 2277AL [1,1,0,0,0,0|2,0,0]=4 111 B7R1.18 O=C(O)[C@@H]1CCN1 5483AB [0,1,0,0,1,0|1,0,1]=4 112 B7R1.25 CC1(CN)CSC1 3849AD [0,1,0,0,1,0|2,0,0]=4 113 B9R1.2 CN1CCCC(CBr)C1 Z2706 [0,1,0,0,0,1|2,0,0]=4 114 B9R1.2 N[C@H]1CCC[C@H](CO)C1 8294AH [0,1,0,0,0,1|1,0,0]=3 115 B9R1.2 OC[C@@H]1CC=C[C@H](O)C1 8910AH [0,1,0,0,0,1|1,0,1]=4 116 B9R1.6 CC(C)[C@@H]1CNCCN1 W4351 [0,1,0,0,0,1|2,0,0]=4 117 B9R1.6 O=C(O)C1CCCCN1 3297AL [0,1,0,0,0,1|1,0,1]=4 118 B9R1.6 O=C(O)C1CCCCN1 6644AH [0,1,0,0,0,1|1,0,1]=4 119 B9R1.6 O=C(O)C1CNCCN1 V5196 [0,1,0,0,0,1|1,0,1]=4 120 B9R1.6 O=C(O)[C@H]1COCCN1 Z8033 [0,1,0,0,0,1|1,0,1]=4 121 B9R1.6 OB(O)C1CCNCC1 4463AJ [0,1,0,0,0,1|2,0,0]=4 122 B9R1.8 BrCCC1CCCCN1 8895AE [0,1,0,0,0,1|2,0,0]=4 123 B9R1.8 Br[Mg]CC1CCCCC1 8498AJ [0,1,0,0,0,1|2,0,0]=4 124 B9R1.8 CCCC1CCCCN1 3606AB [0,1,0,0,0,1|2,0,0]=4 125 B9R1.8 COC[C@@H]1COCCN1 0762AC [0,1,0,0,0,1|1,0,0]=3 126 B9R1.8 COC[C@H]1COCCN1 1077AB [0,1,0,0,0,1|1,0,0]=3 127 B9R1.8 NCCC1CCCCN1 5054AD [0,1,0,0,0,1|2,0,0]=4 128 B9R1.8 NCCC1CNCCO1 3494AC [0,1,0,0,0,1|1,0,0]=3 129 B9R1.8 OCCC1CCCNC1 1431AC [0,1,0,0,0,1|1,0,0]=3 130 B9R1.15 CN1CCCCC1CN 7499AB [0,1,0,0,0,1|2,0,0]=4 131 B9R1.15 OC[C@@H]1CCNC[C@@H]1O 0933AB [0,1,0,0,0,1|1,0,0]=3 132 B9R1.118 CC1(CO)COCOC1 8917AC [0,1,0,0,0,1|1,0,0]=3 133 B9R1.118 NCC1(N)CCCCC1 9516AH [0,1,0,0,0,1|2,0,0]=4 134 B9R1.21 CCC1CCC(CC)O1 Z5522 [0,2,0,0,0,0|1,0,0]=3 135 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 4247AH [0,2,0,0,0,0|1,0,1]=4 136 B9R1.11 COC(=O)[C@H]1CCCN1 5950AB [0,2,0,0,0,0|1,0,1]=4 137 B9R1.19 FC(F)(F)C1CCCN1 0746AD [0,2,0,0,0,0|2,0,0]=4 138 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O 7397AJ [0,2,0,0,0,0|1,0,1]=4 139 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O 4857AB [0,2,0,0,0,0|1,0,1]=4 140 B9R1.41 O=C(O)C1CCCC1=O 4522AE [0,2,0,0,0,0|1,0,1]=4 141 B9R1.163 NC1(C(=O)O)CCCC1 Z5998 [0,2,0,0,0,0|1,0,1]=4 142 B9R1.12 CCCNC1CCCC1 8105AC [0,2,0,0,0,0|2,0,0]=4 143 B9R1.13 O=C(Cl)CC1CCCC1 8929AC [0,2,0,0,0,0|1,0,1]=4 144 B9R1.13 O=C(O)CC1CCNC1 2247AF [0,2,0,0,0,0|2,0,0]=4 145 B9R1.33 COC[C@@H]1CCC[C@@H]1N 8410AH [0,2,0,0,0,0|1,0,0]=3 146 B9R1.33 COC[C@H]1CCC[C@H]1N 3926AJ [0,2,0,0,0,0|1,0,0]=3 147 B9R1.33 COC[C@H]1CCC[C@H]1N 8369AH [0,2,0,0,0,0|1,0,0]=3 148 B7R1.3 C[C@@H]1CCCCN1 W3754 [0,0,1,1,0,0|2,0,0]=4 149 B7R1.3 C[C@@H]1CCCNC1 8114AA [0,0,1,1,0,0|2,0,0]=4 150 B7R1.3 N[C@@H]1CCCOC1 X8827 [0,0,1,1,0,0|1,0,0]=3 151 B7R1.3 N[C@H]1CCCOC1 X6276 [0,0,1,1,0,0|1,0,0]=3 152 B7R1.3 OC1CC=CCC1 Y4155 [0,0,1,1,0,0|1,0,1]=4 153 B7R1.7 CCCC[C@H]1CO1 Y7384 [0,0,1,1,0,0|1,0,0]=3 154 B7R1.7 CCCNC1CC1 8890AE [0,0,1,1,0,0|2,0,0]=4 155 B7R1.24 C1CNOCCN1 9264AH [0,0,1,1,0,0|2,0,0]=4 156 B7R2.11 C1CC2CC1N2 3085AJ [1,0,0,1,0,0|1,0,0]=3 157 B9R2.49 C1C[C@@H]2CN[C@H]1CN2 8385AH [0,0,0,1,0,1|2,0,0]=4 158 B9R2.49 C1C[C@H]2CN[C@@H]1CN2 8422AH [0,0,0,1,0,1|2,0,0]=4 159 B9R2.68 C1CC2CNCC1N2 2699AB [0,0,0,1,0,1|2,0,0]=4 160 B9R2.123 BrC1C2CCCCC12 2139AA [0,0,0,1,0,1|2,0,0]=4 161 B9R2.39 CN1CC2CC1CN2 8850AB [0,1,0,1,0,0|2,0,0]=4 162 B9R2.39 N[C@@H]1C[C@H]2CC[C@@H]1C2 0224AP [0,1,0,1,0,0|2,0,0]=4 163 B9R2.39 OC1CC2C=CC1C2 X4118 [0,1,0,1,0,0|1,0,1]=4 164 B9R2.39 [C@H]12CC[C@H](C1)[C@@H](O)C2 4676AB [0,1,0,1,0,0|1,0,0]=3 165 B5R1.2 CC1CCN1 2132AL [1,0,0,0,1,0|1,0,0]=3 166 B5R1.2 NC1CNC1 X8588 [1,0,0,0,1,0|2,0,0]=4 167 B5R1.3 C=CC1CC1 3916AL [0,0,0,0,2,0|1,0,1]=4 168 B5R1.3 CCC1CN1 Y8453 [0,0,0,0,2,0|2,0,0]=4 169 B5R1.3 ClCC1CS1 Y8722 [0,0,0,0,2,0|1,1,0]=4