0 B6R0.6 C=CCCCC#N BB12-2224 [0,0,0,0,0,0|3,0,0]=3 1 B6R0.6 CCCCCNC BB57-3734 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.6 CCCCCNN BB12-2485 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.6 CCCSCCN BB53-1582 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.6 CCOCCNC BB57-2926 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.6 CCSCCNC BB12-0971 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.6 COCCN=C=S BB53-1315 [0,0,0,0,0,0|1,2,1]=4 7 B6R0.6 FCCCCCBr BB57-3968 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.6 [C-]#[N+]CCCOC BB56-1464 [0,0,0,0,0,0|2,1,0]=3 9 B5R0.2 C=COCCN BB57-6790 [1,0,0,0,0,0|3,0,0]=4 10 B5R0.2 CCSCCN BB53-1545 [1,0,0,0,0,0|2,0,1]=4 11 B5R0.2 CCSCCO BB54-1799 [1,0,0,0,0,0|1,0,2]=4 12 B5R0.2 CNCCSC BB57-4145 [1,0,0,0,0,0|1,0,1]=3 13 B5R0.2 COCCNN BB58-0266 [1,0,0,0,0,0|2,1,0]=4 14 B5R0.2 CSCCC#N BB12-3714 [1,0,0,0,0,0|1,0,1]=3 15 B5R0.2 N#CCCCN BB58-1324 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.2 N#CCCCO BB58-5314 [1,0,0,0,0,0|1,1,1]=4 17 B5R0.2 NNCCCO BB58-0747 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.2 OCCCCCl BB54-0721 [1,0,0,0,0,0|1,0,2]=4 19 B5R0.2 [C-]#[N+]CCCC BB56-0718 [1,0,0,0,0,0|2,0,0]=3 20 B5R0.2 [C-]#[N+]CCOC BB56-1837 [1,0,0,0,0,0|1,1,1]=4 21 B7R0.1 CCCCOCCN BB53-1642 [0,1,0,0,0,0|2,0,1]=4 22 B7R0.1 CCCCSCCN BB57-6671 [0,1,0,0,0,0|2,0,1]=4 23 B7R0.1 CCCCSCCO BB54-1800 [0,1,0,0,0,0|1,0,2]=4 24 B7R0.1 [C-]#[N+]CCCCCC BB56-1203 [0,1,0,0,0,0|2,0,1]=4 25 B7R0.3 CCCCC(N)CO BB56-2048 [0,1,0,0,0,0|1,0,2]=4 26 B7R0.3 CSCCC(N)CO BB56-2047 [0,1,0,0,0,0|0,0,2]=3 27 B7R0.4 C=CCCNC(C)C BB58-4949 [0,1,0,0,0,0|3,0,0]=4 28 B7R0.4 C=CCSCC(=O)O BB12-3265 [0,1,0,0,0,0|2,0,1]=4 29 B7R0.4 CC(=O)NCCCN BB32-2735 [0,1,0,0,0,0|3,0,0]=4 30 B7R0.4 CC(=O)NCCCO BB12-3384 [0,1,0,0,0,0|3,0,0]=4 31 B7R0.4 CC(C)CCCCO BB12-2305 [0,1,0,0,0,0|1,0,2]=4 32 B7R0.4 CC(C)CCN=C=O BB01-6540 [0,1,0,0,0,0|2,0,1]=4 33 B7R0.4 CCCNCC(=O)O BB20-0186 [0,1,0,0,0,0|2,0,0]=3 34 B7R0.4 CCCOCC(=O)O BB55-7872 [0,1,0,0,0,0|2,0,0]=3 35 B7R0.4 CCCSCC(=O)O BB12-3263 [0,1,0,0,0,0|2,0,0]=3 36 B7R0.4 CCOCCC(=O)Cl BB58-1931 [0,1,0,0,0,0|2,0,0]=3 37 B7R0.4 CCSCCC(=O)O BB12-3270 [0,1,0,0,0,0|2,0,0]=3 38 B7R0.4 NC(=O)CSCCO BB53-1357 [0,1,0,0,0,0|3,0,0]=4 39 B7R0.4 O=C(O)CNCCO BB58-1263 [0,1,0,0,0,0|3,0,0]=4 40 B7R0.4 [C-]#[N+]CCCN(C)C BB56-1193 [0,1,0,0,0,0|3,0,0]=4 41 B7R0.7 CCCC(N)CCC BB54-4015 [0,1,0,0,0,0|2,0,1]=4 42 B7R0.7 CNCC(O)COC BB17-0811 [0,1,0,0,0,0|2,1,0]=4 43 B7R1.1 CCC1CCCN1 BB55-8085 [0,0,0,1,0,0|2,0,1]=4 44 B7R1.1 CNC1CCCC1 BB53-1678 [0,0,0,1,0,0|2,0,1]=4 45 B7R1.3 BrC1CCCOC1 BB55-3590 [0,0,0,1,0,0|1,1,1]=4 46 B7R1.3 NC1CCCOC1 BB12-2177 [0,0,0,1,0,0|1,1,1]=4 47 B7R1.3 O=C1CNCCN1 BB54-4362 [0,0,0,1,0,0|2,0,0]=3 48 B7R1.3 O=C1CSCCN1 BB20-1255 [0,0,0,1,0,0|1,0,0]=2 49 B7R1.4 NC1CCCC1=O BB58-3328 [0,0,0,1,0,0|2,0,0]=3 50 B7R1.4 NC1CCNC1=O BB12-2184 [0,0,0,1,0,0|3,0,0]=4 51 B7R1.6 CNCC1CCC1 BB12-1623 [0,0,0,1,0,0|2,0,1]=4 52 B7R1.6 N#CCC1CCC1 BB57-4846 [0,0,0,1,0,0|2,0,1]=4 53 B7R1.6 NNCC1CCC1 BB58-1933 [0,0,0,1,0,0|3,0,0]=4 54 B7R1.6 OCCC1CCC1 BB31-5201 [0,0,0,1,0,0|1,0,2]=4 55 B7R1.24 C1CNCCNC1 BB12-2760 [0,0,0,1,0,0|3,0,0]=4 56 B7R1.24 C1CNCCOC1 BB57-0752 [0,0,0,1,0,0|2,1,0]=4 57 B4R0.2 CCCNN BB58-2805 [2,0,0,0,0,0|2,0,0]=4 58 B4R0.2 CNCCCl BB57-4776 [2,0,0,0,0,0|2,0,0]=4 59 B4R0.2 CNCCI BB57-4692 [2,0,0,0,0,0|2,0,0]=4 60 B4R0.2 CSCCCl BB53-1396 [2,0,0,0,0,0|1,0,0]=3 61 B4R0.2 CSCCN BB12-0970 [2,0,0,0,0,0|1,0,0]=3 62 B6R0.1 CCCC(O)CN BB58-4054 [1,1,0,0,0,0|1,0,1]=4 63 B6R0.1 CC[C@H](N)COC BB20-3253 [1,1,0,0,0,0|0,1,1]=4 64 B6R0.1 CNC(C)CCO BB05-4613 [1,1,0,0,0,0|1,0,1]=4 65 B6R0.1 CNC(C)CCO BB12-1373 [1,1,0,0,0,0|1,0,1]=4 66 B6R0.1 COC(C)CCN BB57-3649 [1,1,0,0,0,0|1,1,0]=4 67 B6R0.1 COCC(O)CN BB55-6376 [1,1,0,0,0,0|1,1,0]=4 68 B6R0.4 C=CCNC(C)C BB12-1319 [1,1,0,0,0,0|2,0,0]=4 69 B6R0.4 CC(C)CN=C=O BB01-8145 [1,1,0,0,0,0|1,0,1]=4 70 B6R0.4 CCCCC(N)=S BB31-3291 [1,1,0,0,0,0|0,1,0]=3 71 B6R0.4 CCCNC(N)=O BB01-7603 [1,1,0,0,0,0|1,0,0]=3 72 B6R0.4 CCOCC(=O)Cl BB01-8267 [1,1,0,0,0,0|1,0,0]=3 73 B6R0.4 CCSCC(=O)O BB12-3264 [1,1,0,0,0,0|1,0,0]=3 74 B6R0.4 CNCCC(=O)O BB12-1452 [1,1,0,0,0,0|1,0,0]=3 75 B6R0.4 COCCC(=O)Cl BB20-1617 [1,1,0,0,0,0|0,1,0]=3 76 B6R0.4 COCCC(C)=O BB58-1056 [1,1,0,0,0,0|0,1,0]=3 77 B6R0.4 CSCCC(=N)N BB12-3715 [1,1,0,0,0,0|1,0,0]=3 78 B6R0.4 N=C(N)CCCCl BB54-4116 [1,1,0,0,0,0|2,0,0]=4 79 B6R0.4 NC(=O)CCCCl BB57-2489 [1,1,0,0,0,0|1,0,0]=3 80 B6R0.4 NCCCC(N)=O BB57-4725 [1,1,0,0,0,0|1,0,0]=3 81 B8R0.4 C=CCCNCCOC BB58-0794 [0,2,0,0,0,0|1,1,0]=4 82 B8R0.6 CCNCCC(=O)NN BB12-1383 [0,2,0,0,0,0|2,0,0]=4 83 B8R0.6 COCCCC(=O)OC BB57-3708 [0,2,0,0,0,0|0,1,0]=3 84 B8R0.7 CC(=O)CCCOC=O BB54-0059 [0,2,0,0,0,0|1,0,0]=3 85 B8R0.7 CCCCNCC(=O)O BB20-0185 [0,2,0,0,0,0|1,0,0]=3 86 B8R0.7 COCCCNC(N)=O BB01-7612 [0,2,0,0,0,0|0,1,0]=3 87 B8R0.8 CCCCC(N)C(C)=O BB54-3218 [0,2,0,0,0,0|1,0,0]=3 88 B8R0.8 CCCC[C@H](N)C(=O)O BB12-2277 [0,2,0,0,0,0|1,0,0]=3 89 B8R0.8 CCCOC(C)C(=O)O BB55-7871 [0,2,0,0,0,0|2,0,0]=4 90 B8R0.9 CCC(=O)CCC(=O)O BB57-6622 [0,2,0,0,0,0|1,0,1]=4 91 B8R0.9 CCC(N)CCC(=O)O BB57-2163 [0,2,0,0,0,0|1,0,0]=3 92 B8R0.9 CCN(C)CCC(=O)O BB12-3650 [0,2,0,0,0,0|2,0,0]=4 93 B8R0.9 CCS(=O)CCC(=O)O BB12-3269 [0,2,0,0,0,0|2,0,0]=4 94 B8R0.25 CC(C)(C=O)CCC#N BB12-1601 [0,2,0,0,0,0|2,0,0]=4 95 B8R0.5 CCCC(N)CC(=O)O BB12-1701 [0,2,0,0,0,0|1,0,0]=3 96 B8R0.5 COCC(=O)CC(C)=O BB58-1952 [0,2,0,0,0,0|0,1,1]=4 97 B8R0.28 CC(C)CNCC(=O)O BB20-0181 [0,2,0,0,0,0|2,0,0]=4 98 B8R0.28 CN(C)CCCC(=O)O BB01-6266 [0,2,0,0,0,0|1,0,0]=3 99 B8R0.28 NC(=O)CCCC(=O)O BB12-2466 [0,2,0,0,0,0|2,0,0]=4 100 B6R1.1 C1CCONC1 BB57-1044 [1,0,0,1,0,0|1,0,1]=4 101 B6R1.2 NC1CCOC1 BB55-5168 [1,0,0,1,0,0|1,1,0]=4 102 B6R1.2 O[C@@H]1CCNC1 BB12-3487 [1,0,0,1,0,0|1,0,1]=4 103 B6R1.3 CNCC1CC1 BB55-8900 [1,0,0,1,0,0|1,0,1]=4 104 B6R1.3 NNCC1CC1 BB58-1934 [1,0,0,1,0,0|2,0,0]=4 105 B6R1.6 CNC1CCC1 BB58-0080 [1,0,0,1,0,0|1,0,1]=4 106 B6R1.6 NCC1CCC1 BB12-1679 [1,0,0,1,0,0|1,0,1]=4 107 B8R1.2 CNC1CCSCC1 BB53-1643 [0,1,0,1,0,0|2,0,0]=4 108 B8R1.2 O=CC1=CCCOC1 BB54-4079 [0,1,0,1,0,0|0,1,1]=4 109 B8R1.2 O=CC1CC=CCC1 BB01-8334 [0,1,0,1,0,0|1,0,0]=3 110 B8R1.2 ON=C1CCCCC1 BB12-1685 [0,1,0,1,0,0|1,0,1]=4 111 B8R1.5 CC1=NCCCN1C BB54-0189 [0,1,0,1,0,0|2,0,0]=4 112 B8R1.5 CC1CNCCC1=O BB58-3122 [0,1,0,1,0,0|1,0,0]=3 113 B8R1.5 CC1OCCNC1=O BB58-1681 [0,1,0,1,0,0|1,1,0]=4 114 B8R1.5 CN1CCNCC1=O BB57-1025 [0,1,0,1,0,0|1,0,0]=3 115 B8R1.5 NC1CCCCC1=O BB58-4091 [0,1,0,1,0,0|1,0,0]=3 116 B8R1.5 O=C1CCOCC1O BB17-2979 [0,1,0,1,0,0|2,0,0]=4 117 B8R1.5 O=C1OCCCC1Br BB17-3008 [0,1,0,1,0,0|2,0,0]=4 118 B8R1.8 CSCC1CCCN1 BB56-0633 [0,1,0,1,0,0|1,0,1]=4 119 B8R1.11 CCC1CCCC1=O BB12-2911 [0,1,0,1,0,0|1,0,0]=3 120 B8R1.22 O=C1CCOCCN1 BB20-4217 [0,1,0,1,0,0|1,1,0]=4 121 B8R1.22 O=C1CCSCCN1 BB57-4185 [0,1,0,1,0,0|1,0,0]=3 122 B8R1.1 CCC1COC(=O)N1 BB57-3665 [0,1,0,1,0,0|2,0,0]=4 123 B8R1.1 O=C1CCC(CBr)O1 BB58-1167 [0,1,0,1,0,0|2,0,0]=4 124 B8R1.1 O=C1CCC(CCl)O1 BB54-5256 [0,1,0,1,0,0|2,0,0]=4 125 B8R1.3 O=C1CCS(=O)CC1 BB53-1536 [0,1,0,1,0,0|2,0,0]=4 126 B8R1.50 CN1CCC(Br)C1=O BB58-3454 [0,1,0,1,0,0|1,0,0]=3 127 B8R1.50 CN1CCC(N)C1=O BB58-3639 [0,1,0,1,0,0|1,0,0]=3 128 B8R1.4 CC1CC(=O)CCN1 BB54-5684 [0,1,0,1,0,0|2,0,0]=4 129 B8R1.4 CC1CCCC(=O)N1 BB58-1969 [0,1,0,1,0,0|1,0,0]=3 130 B8R1.7 CC(=O)C1CCCC1 BB55-6362 [0,1,0,1,0,0|1,0,0]=3 131 B8R1.7 NC(=O)[C@@H]1CCCN1 BB12-3488 [0,1,0,1,0,0|2,0,0]=4 132 B8R1.7 O=C(Cl)C1CCCO1 BB20-1591 [0,1,0,1,0,0|2,0,0]=4 133 B8R1.19 CC1(C)OCCC1=O BB58-3943 [0,1,0,1,0,0|2,0,0]=4 134 B8R1.34 O=C(O)CC1CCC1 BB55-4828 [0,1,0,1,0,0|1,0,0]=3 135 B8R1.18 CN1CC(N)CC1=O BB58-3545 [0,1,0,1,0,0|1,0,0]=3