0 B8R1.1 CCC1=NN=C(O)O1 BB12-2757 [0,0,0,0,0,0|2,0,2]=4 1 B8R1.1 CCC1COC(=O)N1 BB57-3665 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.1 CN1CCC(CBr)C1 BB12-3105 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.1 CN1CCC(CCl)C1 BB12-1681 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.1 CN1CCC(CN)C1 BB56-2350 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.1 CN1CCC(CN)C1 BB57-3997 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.1 COC1=CC(=O)NC1 BB12-2206 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.1 O=C1CC(CO)CN1 BB57-1047 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.1 O=C1CCC(CBr)O1 BB58-1167 [0,0,0,0,0,0|1,0,0]=1 9 B8R1.1 O=C1CCC(CCl)O1 BB54-5256 [0,0,0,0,0,0|1,0,0]=1 10 B8R1.1 O=C1NCC(CBr)S1 BB54-4454 [0,0,0,0,0,0|2,1,0]=3 11 B7R1.1 CCC1CCCN1 BB55-8085 [1,0,0,0,0,0|1,0,1]=3 12 B7R1.1 CNC1CCCC1 BB53-1678 [1,0,0,0,0,0|2,0,1]=4 13 B7R1.1 ClCC1CCCN1 BB54-3837 [1,0,0,0,0,0|2,0,1]=4 14 B7R1.1 NCC1CCCO1 BB12-1343 [1,0,0,0,0,0|1,0,1]=3 15 B7R1.2 CC1CNC(=O)C1 BB58-5429 [1,0,0,0,0,0|2,0,0]=3 16 B7R1.2 CC1CNC(=O)O1 BB57-3655 [1,0,0,0,0,0|1,0,0]=2 17 B7R1.2 CC1CNC(=S)N1 BB20-1218 [1,0,0,0,0,0|2,1,0]=4 18 B7R1.2 CC1COC(=O)N1 BB57-2454 [1,0,0,0,0,0|2,0,0]=3 19 B7R1.2 O=C1C=C(O)CC1 BB12-0743 [1,0,0,0,0,0|2,0,1]=4 20 B7R1.2 O=[13C]1CC[13C](=O)O1 BB54-5289 [1,0,0,0,0,0|1,0,1]=3 21 B9R1.7 CCCC1CNC(=O)C1 BB55-7002 [0,1,0,0,0,0|2,0,0]=3 22 B9R1.7 CNCC1CCN(C)C1 BB55-6980 [0,1,0,0,0,0|3,0,0]=4 23 B9R1.125 CC1(CO)COC(=O)N1 BB58-5091 [0,1,0,0,0,0|3,0,0]=4 24 B9R1.133 CC1(C)CCC(CO)O1 BB58-4750 [0,1,0,0,0,0|2,0,1]=4 25 B9R1.133 CNC1CCS(=O)(=O)C1 BB30-0300 [0,1,0,0,0,0|3,0,0]=4 26 B9R1.133 NCC1CCS(=O)(=O)C1 BB54-4465 [0,1,0,0,0,0|3,0,0]=4 27 B9R1.133 O=S1(=O)CCC(CCl)C1 BB54-4369 [0,1,0,0,0,0|3,0,0]=4 28 B7R0.2 CCC(C)NC(N)=O BB01-7615 [0,0,1,0,0,0|2,0,0]=3 29 B7R0.2 CCN(C)CC(=O)O BB12-1321 [0,0,1,0,0,0|3,0,0]=4 30 B7R0.2 CCN(C)CC(C)=O BB12-2316 [0,0,1,0,0,0|2,0,0]=3 31 B7R0.2 CNC(C)CC(=O)O BB12-1285 [0,0,1,0,0,0|3,0,0]=4 32 B7R0.3 CCC(=O)NCCN BB12-2323 [0,0,1,0,0,0|2,0,0]=3 33 B7R0.3 CCCCC(=O)NN BB12-2550 [0,0,1,0,0,0|3,0,0]=4 34 B7R0.3 CCCOC(C)CN BB55-6921 [0,0,1,0,0,0|2,0,1]=4 35 B7R0.3 CCNCC(O)CC BB57-7065 [0,0,1,0,0,0|2,0,1]=4 36 B7R0.3 CNC(=O)CCCN BB55-7167 [0,0,1,0,0,0|3,0,0]=4 37 B7R0.3 CNCCC(=O)NC BB12-1428 [0,0,1,0,0,0|3,0,0]=4 38 B7R0.3 O=C(CCl)NCCCl BB57-4227 [0,0,1,0,0,0|3,0,0]=4 39 B7R0.4 C=CCSCC(=O)O BB12-3265 [0,0,1,0,0,0|1,0,2]=4 40 B7R0.4 CC(=O)NCCCN BB32-2735 [0,0,1,0,0,0|3,0,0]=4 41 B7R0.4 CC(=O)NCCCO BB12-3384 [0,0,1,0,0,0|3,0,0]=4 42 B7R0.4 CCCNCC(=O)O BB20-0186 [0,0,1,0,0,0|1,0,0]=2 43 B7R0.4 CCCNCC(C)O BB58-2124 [0,0,1,0,0,0|2,0,1]=4 44 B7R0.4 CCCOCC(=O)O BB55-7872 [0,0,1,0,0,0|1,0,0]=2 45 B7R0.4 CCCSCC(=O)O BB12-3263 [0,0,1,0,0,0|1,0,0]=2 46 B7R0.4 CCOCCC(=O)Cl BB58-1931 [0,0,1,0,0,0|2,0,0]=3 47 B7R0.4 CCSCCC(=O)O BB12-3270 [0,0,1,0,0,0|1,0,0]=2 48 B7R0.4 NC(=O)CSCCO BB53-1357 [0,0,1,0,0,0|3,0,0]=4 49 B7R0.4 O=C(O)CNCCO BB58-1263 [0,0,1,0,0,0|2,0,0]=3 50 B7R0.12 CCOC(CC)CBr BB12-3730 [0,0,1,0,0,0|2,0,1]=4 51 B9R2.39 N1C(=O)[C@@H]2C=C[C@H]1C2 BB20-3333 [0,0,0,1,0,0|1,0,2]=4 52 B9R2.139 O=C1CC2(CC2)CN1 BB58-3835 [0,0,0,1,0,0|2,0,0]=3 53 B9R1.1 CCC1CCC(N)CC1 BB55-1074 [0,0,0,0,0,1|2,0,1]=4 54 B9R1.2 CCN1CCNC(=O)C1 BB57-3671 [0,0,0,0,0,1|2,0,0]=3 55 B9R1.2 NCC1CCNC(=O)C1 BB31-2480 [0,0,0,0,0,1|2,0,0]=3 56 B6R0.1 C#CC(=O)OCC BB53-1426 [1,0,1,0,0,0|0,0,2]=4 57 B6R0.1 CCCC(O)CN BB58-4054 [1,0,1,0,0,0|1,0,1]=4 58 B6R0.1 CCNC(=O)CBr BB57-1139 [1,0,1,0,0,0|2,0,0]=4 59 B6R0.1 CCOC(=N)CC BB57-3767 [1,0,1,0,0,0|1,0,0]=3 60 B6R0.1 CCOC(=N)CCl BB57-3987 [1,0,1,0,0,0|2,0,0]=4 61 B6R0.1 CCOC(C)CN BB57-2923 [1,0,1,0,0,0|1,0,1]=4 62 B6R0.1 CNC(=O)CCCl BB12-1619 [1,0,1,0,0,0|2,0,0]=4 63 B6R0.1 CNC(=O)CCN BB12-1715 [1,0,1,0,0,0|2,0,0]=4 64 B6R0.1 CNC(=O)CCO BB12-3660 [1,0,1,0,0,0|2,0,0]=4 65 B6R0.1 CNCC(=O)NC BB01-4880 [1,0,1,0,0,0|2,0,0]=4 66 B6R0.1 COC(=O)CCN BB12-2761 [1,0,1,0,0,0|2,0,0]=4 67 B6R0.1 COC(=O)CCO BB12-1300 [1,0,1,0,0,0|2,0,0]=4 68 B6R0.2 CC(C)NC(N)=O BB01-7616 [1,0,1,0,0,0|2,0,0]=4 69 B6R0.4 CCCCC(N)=S BB31-3291 [1,0,1,0,0,0|1,1,0]=4 70 B6R0.4 CCCNC(N)=O BB01-7603 [1,0,1,0,0,0|2,0,0]=4 71 B6R0.4 CCOCC(=O)Cl BB01-8267 [1,0,1,0,0,0|2,0,0]=4 72 B6R0.4 CCSCC(=O)O BB12-3264 [1,0,1,0,0,0|1,0,0]=3 73 B6R0.4 CNCCC(=O)O BB12-1452 [1,0,1,0,0,0|1,0,0]=3 74 B6R0.4 COCCC(=O)Cl BB20-1617 [1,0,1,0,0,0|2,0,0]=4 75 B6R0.4 COCCC(C)=O BB58-1056 [1,0,1,0,0,0|2,0,0]=4 76 B6R0.4 NC(=O)CCCCl BB57-2489 [1,0,1,0,0,0|2,0,0]=4 77 B6R0.4 NCCCC(N)=O BB57-4725 [1,0,1,0,0,0|2,0,0]=4 78 B6R0.6 CCCCCNC BB57-3734 [1,0,1,0,0,0|2,0,0]=4 79 B6R0.6 CCCCCNN BB12-2485 [1,0,1,0,0,0|2,0,0]=4 80 B8R0.1 CCCCS(=O)CCO BB54-4315 [0,1,1,0,0,0|2,0,0]=4 81 B8R0.1 CCOC(=O)CCNC BB57-3648 [0,1,1,0,0,0|2,0,0]=4 82 B8R0.3 CCCC(N)C(=O)NC BB55-8840 [0,1,1,0,0,0|2,0,0]=4 83 B8R0.3 CCOC(=O)C(=O)CC BB12-2925 [0,1,1,0,0,0|2,0,0]=4 84 B8R0.6 COCCCC(=O)OC BB57-3708 [0,1,1,0,0,0|2,0,0]=4 85 B8R0.8 CC(C)C(=O)NCCN BB32-2419 [0,1,1,0,0,0|2,0,0]=4 86 B8R0.9 CC(C)CNC(=O)CBr BB57-1141 [0,1,1,0,0,0|2,0,0]=4 87 B8R0.9 CCC(=O)CCC(=O)O BB57-6622 [0,1,1,0,0,0|0,0,2]=4 88 B8R0.9 CCC(N)CCC(=O)O BB57-2163 [0,1,1,0,0,0|1,0,0]=3 89 B8R0.9 CCN(C)CCC(=O)O BB12-3650 [0,1,1,0,0,0|2,0,0]=4 90 B8R0.9 CCS(=O)CCC(=O)O BB12-3269 [0,1,1,0,0,0|1,0,1]=4 91 B8R0.11 CCOC=C(C=O)CC BB58-5315 [0,1,1,0,0,0|2,0,0]=4 92 B8R0.7 CCCCNCC(=O)O BB20-0185 [0,1,1,0,0,0|0,0,0]=2 93 B8R0.7 COCCCNC(N)=O BB01-7612 [0,1,1,0,0,0|2,0,0]=4 94 B8R0.28 CC(C)CNCC(=O)O BB20-0181 [0,1,1,0,0,0|1,0,0]=3 95 B8R0.28 CN(C)CCCC(=O)O BB01-6266 [0,1,1,0,0,0|1,0,0]=3 96 B8R0.28 NC(=O)CCCC(=O)O BB12-2466 [0,1,1,0,0,0|1,0,1]=4 97 B8R1.7 CC(C)C1CCCN1 BB56-0522 [1,1,0,0,0,0|1,0,1]=4 98 B8R1.7 CC(N)C1CCCO1 BB05-0765 [1,1,0,0,0,0|0,0,1]=3 99 B8R1.7 CC(N)C1CCCO1 BB55-1059 [1,1,0,0,0,0|0,0,1]=3 100 B8R1.8 BrCCC1CCCC1 BB31-4074 [1,1,0,0,0,0|1,0,1]=4 101 B8R1.8 CCCC1CCCN1 BB56-1742 [1,1,0,0,0,0|1,0,1]=4 102 B8R1.8 CCCC1CCNC1 BB55-7022 [1,1,0,0,0,0|2,0,0]=4 103 B8R1.8 CCOC1CCNC1 BB12-1138 [1,1,0,0,0,0|2,0,0]=4 104 B8R1.8 CCOC1CCNC1 BB31-9892 [1,1,0,0,0,0|2,0,0]=4 105 B8R1.8 CNCC1CCCC1 BB12-1620 [1,1,0,0,0,0|1,0,1]=4 106 B8R1.8 COCC1CCCN1 BB56-0037 [1,1,0,0,0,0|1,0,1]=4 107 B8R1.8 CSCC1CCCN1 BB56-0633 [1,1,0,0,0,0|1,0,1]=4 108 B8R1.8 N#CCC1CCCO1 BB54-3910 [1,1,0,0,0,0|0,0,2]=4 109 B8R1.8 NCCC1CCCC1 BB12-2130 [1,1,0,0,0,0|1,0,1]=4 110 B8R1.8 NCCC1CCCN1 BB20-3166 [1,1,0,0,0,0|1,0,1]=4 111 B8R1.8 NCCC1CCCO1 BB54-3985 [1,1,0,0,0,0|0,0,1]=3 112 B8R1.8 OCCN1CCC=N1 BB55-7594 [1,1,0,0,0,0|2,0,0]=4 113 B8R1.11 CCC1CCCC1=O BB12-2911 [1,1,0,0,0,0|1,0,1]=4 114 B8R1.52 CC1(CN)CCCO1 BB54-3675 [1,1,0,0,0,0|1,0,1]=4 115 B8R1.52 CCC1(O)CCNC1 BB58-0285 [1,1,0,0,0,0|2,0,0]=4 116 B8R1.51 CC1(C)CC(=O)CO1 BB58-3838 [1,1,0,0,0,0|2,0,0]=4 117 B8R1.51 CC1(C)CCC(=O)N1 BB12-1604 [1,1,0,0,0,0|1,0,0]=3 118 B8R1.51 CC1(C)CNC(=O)C1 BB58-3757 [1,1,0,0,0,0|2,0,0]=4 119 B8R1.51 CC1(C)COC(=O)N1 BB12-2312 [1,1,0,0,0,0|2,0,0]=4 120 B10R1.1 O=C1CCC(CCO)CC1 BB32-1714 [0,1,0,0,0,1|1,0,0]=3 121 B10R1.176 CN1CC(CBr)CCC1=O BB58-4803 [0,1,0,0,0,1|2,0,0]=4 122 B10R1.2 CCN1CCNC(=O)C1C BB57-3771 [0,1,0,0,0,1|2,0,0]=4 123 B10R1.10 CCCN1CCCC(=O)C1 BB55-8107 [0,1,0,0,0,1|2,0,0]=4 124 B10R1.54 O=C(O)CC1CCC(=O)N1 BB58-3082 [0,2,0,0,0,0|1,0,1]=4 125 B10R1.475 C=C1OC(=O)OC1(C)CC BB54-0404 [0,2,0,0,0,0|1,0,1]=4 126 B10R1.470 CC(C)C1(C)CNC(=O)C1 BB55-7010 [0,2,0,0,0,0|2,0,0]=4 127 B10R1.237 CCC1(CC)CNC(=O)C1 BB55-7003 [0,2,0,0,0,0|2,0,0]=4 128 B8R1.4 CC1CC(=O)CCN1 BB54-5684 [0,0,1,1,0,0|2,0,0]=4 129 B8R1.4 CC1CCCC(=O)N1 BB58-1969 [0,0,1,1,0,0|1,0,0]=3 130 B8R1.34 O=C(O)CC1CCC1 BB55-4828 [0,0,1,1,0,0|2,0,0]=4 131 B8R1.3 O=C1CCS(=O)CC1 BB53-1536 [0,0,1,1,0,0|1,0,1]=4 132 B8R1.5 CC1CNCCC1=O BB58-3122 [0,0,1,1,0,0|2,0,0]=4 133 B8R1.5 CC1OCCNC1=O BB58-1681 [0,0,1,1,0,0|2,0,0]=4 134 B8R1.5 C[C@H]1CNCC[C@@H]1O BB58-3128 [0,0,1,1,0,0|2,0,0]=4 135 B8R1.5 NC1CCCCC1=O BB58-4091 [0,0,1,1,0,0|2,0,0]=4 136 B8R1.5 O=C1OCCCC1Br BB17-3008 [0,0,1,1,0,0|1,0,0]=3 137 B8R1.22 O=C1CCOCCN1 BB20-4217 [0,0,1,1,0,0|2,0,0]=4 138 B8R1.22 O=C1CCSCCN1 BB57-4185 [0,0,1,1,0,0|2,0,0]=4 139 B8R1.38 COC(=O)C1CCC1 BB12-2967 [0,0,1,1,0,0|2,0,0]=4 140 B8R1.35 O=C(O)C#CC1CC1 BB58-3544 [0,0,1,1,0,0|0,0,2]=4 141 B8R2.34 C1CC2CC1CN2 BB54-1062 [1,0,0,1,0,0|1,0,1]=4 142 B8R2.55 C1CC2(CC2)CN1 BB58-3839 [1,0,0,1,0,0|2,0,0]=4 143 B10R2.335 O=C1NCC2(CC2)CO1 BB58-3754 [0,0,0,1,0,1|1,0,0]=3 144 B10R2.534 O=C1CNCC2(CC2)N1 BB58-3657 [0,0,0,1,0,1|1,0,0]=3 145 B6R0.3 CCC(Br)C(N)=O BB55-8830 [0,0,1,0,1,0|2,0,0]=4 146 B6R0.3 CNC(C)C(=O)O BB57-2982 [0,0,1,0,1,0|2,0,0]=4 147 B6R0.3 COC(C)C(=O)O BB57-2927 [0,0,1,0,1,0|2,0,0]=4 148 B6R0.3 CSC(C)C(=O)O BB12-2671 [0,0,1,0,1,0|2,0,0]=4 149 B6R1.6 CNC1CCC1 BB58-0080 [1,0,0,0,1,0|1,0,1]=4 150 B6R1.6 NCC1CCC1 BB12-1679 [1,0,0,0,1,0|1,0,1]=4 151 B10R1.197 CCC1CCNC(=O)CC1 BB12-1630 [0,0,0,0,0,2|1,0,0]=3 152 B10R1.162 O=C1CCCCC(CO)N1 BB58-2836 [0,0,0,0,0,2|2,0,0]=4