0 B6R1.1 C1=CCCCC1 6616AH [0,0,0,0,0,0|1,0,1]=2 1 B6R1.1 C1CCNCC1 X3730 [0,0,0,0,0,0|0,0,0]=0 2 B6R1.1 C1CNCCN1 7642AH [0,0,0,0,0,0|1,0,0]=1 3 B6R1.1 C1CNCCN1 W0060 [0,0,0,0,0,0|1,0,0]=1 4 B7R1.3 C=C1CCCCC1 3293AA [0,1,0,0,0,0|1,0,0]=2 5 B7R1.3 CC1CC=CCC1 6594AL [0,1,0,0,0,0|1,0,1]=3 6 B7R1.3 C[C@@H]1CCCCN1 W3754 [0,1,0,0,0,0|0,0,0]=1 7 B7R1.3 C[C@@H]1CCCNC1 8114AA [0,1,0,0,0,0|0,0,0]=1 8 B7R1.3 NC1=NCCSC1 8863AE [0,1,0,0,0,0|1,0,2]=4 9 B7R1.3 NC1CCCCN1 6271AB [0,1,0,0,0,0|0,0,0]=1 10 B7R1.3 NC1CCSCC1 V4406 [0,1,0,0,0,0|1,0,0]=2 11 B7R1.3 NN1CCNCC1 Y3154 [0,1,0,0,0,0|1,0,0]=2 12 B7R1.3 N[C@@H]1CCCOC1 X8827 [0,1,0,0,0,0|1,0,0]=2 13 B7R1.3 N[C@H]1CC=CCC1 9037AH [0,1,0,0,0,0|1,0,1]=3 14 B7R1.3 N[C@H]1CCCOC1 X6276 [0,1,0,0,0,0|1,0,0]=2 15 B7R1.3 O=C1CCCNC1 7001AB [0,1,0,0,0,0|0,0,1]=2 16 B7R1.3 O=S1CCCCC1 V2389 [0,1,0,0,0,0|1,0,0]=2 17 B7R1.3 OC1C=CCNC1 9589AH [0,1,0,0,0,0|0,0,2]=3 18 B7R1.3 OC1CC=CCC1 Y4155 [0,1,0,0,0,0|1,0,1]=3 19 B5R0.2 CCCSC#N I565 [0,0,1,0,0,0|1,0,2]=4 20 B5R0.2 COCCC=O Y8542 [0,0,1,0,0,0|2,0,1]=4 21 B5R0.2 FCCCCF 1855AE [0,0,1,0,0,0|2,0,0]=3 22 B5R0.2 NCCCCCl 5846AB [0,0,1,0,0,0|1,0,0]=2 23 B5R1.1 C1CCOC1 V2332 [0,0,0,0,1,0|1,0,0]=2 24 B5R1.1 C1CNNC1 4465AJ [0,0,0,0,1,0|1,0,0]=2 25 B5R1.1 C1CNOC1 4176AJ [0,0,0,0,1,0|1,0,0]=2 26 B7R1.24 C1=CCCCC=C1 5492AB [0,0,0,0,0,1|1,0,2]=4 27 B7R1.24 C1CNOCCN1 9264AH [0,0,0,0,0,1|1,0,0]=2 28 B4R0.2 CCCC[NH3+] 7121AF [1,0,1,0,0,0|0,0,1]=3 29 B4R0.2 CCCC[O-] S459 [1,0,1,0,0,0|1,0,0]=3 30 B4R0.2 CCC[Mg]Cl 9030AJ [1,0,1,0,0,0|2,0,0]=4 31 B4R0.2 CCNCC Y1600 [1,0,1,0,0,0|0,0,0]=2 32 B4R0.2 C\C=C\CN Q938 [1,0,1,0,0,0|0,0,2]=4 33 B4R0.2 FCCCF Y3147 [1,0,1,0,0,0|2,0,0]=4 34 B4R0.2 NOCCO 0128AP [1,0,1,0,0,0|2,0,0]=4 35 B6R0.1 BrCCC(Br)CBr F672 [0,1,1,0,0,0|2,0,0]=4 36 B6R0.1 CC(CN)CCN 7844AA [0,1,1,0,0,0|1,0,0]=3 37 B6R0.1 CCCC(Br)CBr R241 [0,1,1,0,0,0|1,0,0]=3 38 B6R0.1 CCCC(N)CC 7574AF [0,1,1,0,0,0|1,0,0]=3 39 B6R0.1 CCC[C@@H](C)CO N835 [0,1,1,0,0,0|1,0,0]=3 40 B6R0.1 CCN(C)CCO Z5820 [0,1,1,0,0,0|1,0,0]=3 41 B6R0.1 CCOC(Br)CBr V0731 [0,1,1,0,0,0|2,0,0]=4 42 B6R0.1 CC[C@@H](N)COC 8544AH [0,1,1,0,0,0|1,0,0]=3 43 B6R0.1 CC[C@H](N)COC 8568AH [0,1,1,0,0,0|1,0,0]=3 44 B6R0.1 COC(=O)CCN 5700AB [0,1,1,0,0,0|1,0,1]=4 45 B6R0.1 C\C=C\C(C)CC 6598AL [0,1,1,0,0,0|1,0,1]=4 46 B6R0.1 OCC[C@@H](O)CCl Z2057 [0,1,1,0,0,0|2,0,0]=4 47 B6R0.1 OCC[C@H](O)CCl Z2061 [0,1,1,0,0,0|2,0,0]=4 48 B6R0.4 CCC#CC(C)O I840 [0,1,1,0,0,0|1,0,1]=4 49 B6R0.4 CN(C)CCC=O 0848AC [0,1,1,0,0,0|1,0,1]=4 50 B6R0.4 CN(C)CCCBr 7713AB [0,1,1,0,0,0|1,0,0]=3 51 B6R0.4 CNCCC(C)C 5617AB [0,1,1,0,0,0|0,0,0]=2 52 B6R0.4 CNCC[C@H](C)N 9254AH [0,1,1,0,0,0|0,0,0]=2 53 B6R0.6 C#CCCCCBr 0285AC [0,1,1,0,0,0|1,0,1]=4 54 B6R0.6 CCCCCCF 7535AF [0,1,1,0,0,0|1,0,0]=3 55 B6R0.6 CCCCSO=[Sn] P605 [0,1,1,0,0,0|2,0,0]=4 56 B6R0.6 CCNCCC#N 7314AD [0,1,1,0,0,0|0,0,1]=3 57 B6R0.6 COCCCOC U569 [0,1,1,0,0,0|1,0,0]=3 58 B6R0.6 OCCOCCS 5680AL [0,1,1,0,0,0|2,0,0]=4 59 B6R1.2 ClC1CCNC1 X3739 [0,1,0,0,1,0|0,0,0]=2 60 B6R1.2 NC1CCCC1 0142AP [0,1,0,0,1,0|0,0,0]=2 61 B6R1.2 NN1CCCC1 9623AB [0,1,0,0,1,0|0,0,0]=2 62 B6R1.2 O=C1CCNC1 R079 [0,1,0,0,1,0|0,0,1]=3 63 B6R1.2 OC1CC=CC1 X4956 [0,1,0,0,1,0|0,0,2]=4 64 B6R1.2 OC1CCCO1 5572AJ [0,1,0,0,1,0|1,0,0]=3 65 B8R1.22 N[C@@H]1CCCCNC1 X9610 [0,1,0,0,0,1|0,0,0]=2 66 B8R1.22 O=C1CCCCCN1 X5632 [0,1,0,0,0,1|0,0,0]=2 67 B8R1.22 O=S1CCCNCC1 1742AA [0,1,0,0,0,1|0,0,0]=2 68 B8R1.2 BrCN1CCOCC1 Y1575 [0,2,0,0,0,0|1,0,0]=3 69 B8R1.2 BrCN1CCOCC1 Y1582 [0,2,0,0,0,0|1,0,0]=3 70 B8R1.2 CCC1=NCCCC1 Y7557 [0,2,0,0,0,0|0,0,2]=4 71 B8R1.2 CC[C@H]1CCCCN1 1287AL [0,2,0,0,0,0|0,0,0]=2 72 B8R1.2 COC1CCCCO1 7544AE [0,2,0,0,0,0|1,0,0]=3 73 B8R1.2 ClCC1CCCCC1 2451AB [0,2,0,0,0,0|1,0,0]=3 74 B8R1.2 ClCC1CCCCN1 2061AL [0,2,0,0,0,0|0,0,0]=2 75 B8R1.2 ClCC1CCNCC1 8572AB [0,2,0,0,0,0|0,0,0]=2 76 B8R1.2 ClCN1CCOCC1 Y1583 [0,2,0,0,0,0|1,0,0]=3 77 B8R1.2 ICC1CCCCN1 Z2411 [0,2,0,0,0,0|0,0,0]=2 78 B8R1.2 NCC1CNCCN1 9394AJ [0,2,0,0,0,0|1,0,0]=3 79 B8R1.2 NNC1=NCCCN1 6639AD [0,2,0,0,0,0|1,0,1]=4 80 B8R1.2 NNC1CCCCC1 7551AF [0,2,0,0,0,0|1,0,0]=3 81 B8R1.2 O=CC1CCCCN1 Z3377 [0,2,0,0,0,0|0,0,0]=2 82 B8R1.2 OC[C@H]1CNCCN1 W3267 [0,2,0,0,0,0|1,0,0]=3 83 B8R1.3 BrC1CCC(Br)CC1 7452AF [0,2,0,0,0,0|1,0,0]=3 84 B8R1.3 CC1CCN(N)CC1 4385AJ [0,2,0,0,0,0|0,0,0]=2 85 B8R1.3 CN1CCC(O)CC1 4721AH [0,2,0,0,0,0|0,0,0]=2 86 B8R1.3 C[C@@H]1CC[C@@H](C)NC1 3626AB [0,2,0,0,0,0|0,0,0]=2 87 B8R1.3 NC1CCC(=O)CC1 X7969 [0,2,0,0,0,0|1,0,0]=3 88 B8R1.3 O[C@H]1CC[C@H](S)CC1 7455AE [0,2,0,0,0,0|1,0,0]=3 89 B8R1.4 CC1=CC(O)CCC1 X4463 [0,2,0,0,0,0|1,0,1]=4 90 B8R1.4 CC1CCOC(=O)C1 2149AA [0,2,0,0,0,0|1,0,1]=4 91 B8R1.4 CN1CCCC(N)C1 Z2680 [0,2,0,0,0,0|0,0,0]=2 92 B8R1.4 CN1CCCC(O)C1 L535 [0,2,0,0,0,0|0,0,0]=2 93 B8R1.4 C[C@@H]1CN(C)CCN1 8937AH [0,2,0,0,0,0|1,0,0]=3 94 B8R1.4 C[C@@H]1CNC[C@H](C)C1 3935AJ [0,2,0,0,0,0|0,0,0]=2 95 B8R1.4 C[C@H]1CNCC(=O)N1 7823AA [0,2,0,0,0,0|1,0,1]=4 96 B8R1.4 NC1CCCC(=O)C1 7456AA [0,2,0,0,0,0|1,0,0]=3 97 B8R1.4 NC1CCCC(=O)C1 V9436 [0,2,0,0,0,0|1,0,0]=3 98 B8R1.4 NC1CCNC(=O)C1 V1291 [0,2,0,0,0,0|0,0,1]=3 99 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 8375AH [0,2,0,0,0,0|1,0,0]=3 100 B8R1.4 N[C@@H]1CCC[C@H](O)C1 8415AH [0,2,0,0,0,0|1,0,0]=3 101 B8R1.4 N[C@H]1CCC[C@@H](O)C1 3937AJ [0,2,0,0,0,0|1,0,0]=3 102 B8R1.4 N[C@H]1CCC[C@@H](O)C1 X6750 [0,2,0,0,0,0|1,0,0]=3 103 B8R1.4 O=C1CNCC(=O)C1 4461AJ [0,2,0,0,0,0|0,0,2]=4 104 B8R1.5 CC1CCNCC1=O 2896AJ [0,2,0,0,0,0|0,0,1]=3 105 B8R1.5 CC1CNCCN1C 9603AH [0,2,0,0,0,0|1,0,0]=3 106 B8R1.5 C[C@@H]1CCCC[C@H]1N M973 [0,2,0,0,0,0|1,0,0]=3 107 B8R1.5 C[C@@H]1COCC[C@@H]1N 0693AC [0,2,0,0,0,0|1,0,0]=3 108 B8R1.5 C[C@H]1CCCC[C@H]1N 3932AJ [0,2,0,0,0,0|1,0,0]=3 109 B8R1.5 NC1CCOCC1N Y5905 [0,2,0,0,0,0|1,0,0]=3 110 B8R1.5 N[C@@H]1CC=CC[C@H]1N 8363AH [0,2,0,0,0,0|1,0,1]=4 111 B8R1.5 N[C@H]1CCCC[C@@H]1N 8198AH [0,2,0,0,0,0|1,0,0]=3 112 B8R1.5 O=C1CCOCC1Br 4586AF [0,2,0,0,0,0|1,0,1]=4 113 B8R1.5 O=C1CCOCC1Cl 2253AJ [0,2,0,0,0,0|1,0,1]=4 114 B8R1.5 O[C@@H]1CCCC[C@H]1I 9141AJ [0,2,0,0,0,0|1,0,0]=3 115 B8R1.72 CC1(C)CCCCN1 1327AJ [0,2,0,0,0,0|0,0,0]=2 116 B8R1.72 CC1(N)CCCOC1 2359AJ [0,2,0,0,0,0|1,0,0]=3 117 B8R1.72 C[Si]1(C)CCCCC1 7819AF [0,2,0,0,0,0|1,0,0]=3 118 B8R1.72 Cl[Si]1(Cl)CCCCC1 7312AF [0,2,0,0,0,0|1,0,0]=3 119 B8R1.72 FC1(F)CCCCC1 1844AE [0,2,0,0,0,0|1,0,0]=3 120 B6R1.3 BrCCC1CC1 8486AH [0,0,1,1,0,0|1,0,0]=3 121 B6R1.3 BrCC[C@H]1CO1 9072AH [0,0,1,1,0,0|2,0,0]=4 122 B6R1.3 CCCC1CN1 Y8874 [0,0,1,1,0,0|0,0,0]=2 123 B6R1.3 NCCN1CC1 2655AE [0,0,1,1,0,0|1,0,0]=3 124 B6R1.3 O=CCC1CC1 8199AB [0,0,1,1,0,0|1,0,1]=4 125 B6R1.6 CNC1COC1 4219AF [0,0,1,1,0,0|1,0,0]=3 126 B6R1.6 [C-]#[N+]C1CCC1 2868AF [0,0,1,1,0,0|0,0,2]=4 127 B8R2.25 C1CCC2SC2C1 7489AF [0,0,0,1,0,1|1,0,0]=3 128 B8R2.23 C1NCC2CC1S2 Y3051 [0,1,0,1,0,0|0,0,0]=2 129 B8R2.34 C1CC2CCC1N2 2690AB [0,1,0,1,0,0|1,0,0]=3 130 B8R2.34 [C@H]12CN[C@H](CN1)C2 8423AH [0,1,0,1,0,0|1,0,0]=3 131 B8R2.34 [C@H]12CO[C@H](CN1)C2 Y7693 [0,1,0,1,0,0|1,0,0]=3 132 B8R1.49 C1=CCCC=CCC1 8418AJ [0,0,0,0,0,2|1,0,1]=4