0 B5R0.2 C=COCCN BB57-6790 [0,0,0,0,0,0|2,0,0]=2 1 B5R0.2 CCC#CCO BB58-4730 [0,0,0,0,0,0|1,0,3]=4 2 B5R0.2 CCSCCN BB53-1545 [0,0,0,0,0,0|2,1,1]=4 3 B5R0.2 CCSCCO BB54-1799 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.2 CNCCSC BB57-4145 [0,0,0,0,0,0|4,0,0]=4 5 B5R0.2 COCCNN BB58-0266 [0,0,0,0,0,0|4,0,0]=4 6 B5R0.2 CSCCC#N BB12-3714 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.2 N#CCCCN BB58-1324 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.2 N#CCCCO BB58-5314 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.2 NNCCCO BB58-0747 [0,0,0,0,0,0|4,0,0]=4 10 B5R0.2 O=CNNC=O BB12-1708 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.2 OCCCCCl BB54-0721 [0,0,0,0,0,0|2,0,2]=4 12 B5R0.2 [C-]#[N+]CCCC BB56-0718 [0,0,0,0,0,0|3,0,0]=3 13 B5R0.2 [C-]#[N+]CCOC BB56-1837 [0,0,0,0,0,0|4,0,0]=4 14 B4R0.2 C#CCON BB31-7679 [1,0,0,0,0,0|1,0,2]=4 15 B4R0.2 CCCNN BB58-2805 [1,0,0,0,0,0|2,0,0]=3 16 B4R0.2 CNCCCl BB57-4776 [1,0,0,0,0,0|2,0,1]=4 17 B4R0.2 CNCCI BB57-4692 [1,0,0,0,0,0|2,0,1]=4 18 B4R0.2 CSCCCl BB53-1396 [1,0,0,0,0,0|1,1,1]=4 19 B4R0.2 CSCCN BB12-0970 [1,0,0,0,0,0|1,1,1]=4 20 B6R0.1 CCCC(O)CN BB58-4054 [0,1,0,0,0,0|2,0,1]=4 21 B6R0.1 CCC\C(N)=N\O BB10-0037 [0,1,0,0,0,0|2,0,1]=4 22 B6R0.1 CCOC(=N)CC BB57-3767 [0,1,0,0,0,0|1,0,2]=4 23 B6R0.1 CCOC(C)CN BB57-2923 [0,1,0,0,0,0|2,0,1]=4 24 B6R0.1 CC[C@H](N)COC BB20-3253 [0,1,0,0,0,0|3,0,0]=4 25 B6R0.4 C=CCNC(C)C BB12-1319 [0,1,0,0,0,0|3,0,0]=4 26 B6R0.4 CC(=O)NCC#N BB57-3731 [0,1,0,0,0,0|2,0,1]=4 27 B6R0.4 CC(C)CN=C=O BB01-8145 [0,1,0,0,0,0|1,0,1]=3 28 B6R0.4 CCCCC(N)=S BB31-3291 [0,1,0,0,0,0|1,1,0]=3 29 B6R0.4 CCCNC(N)=O BB01-7603 [0,1,0,0,0,0|1,0,0]=2 30 B6R0.4 CCNCC(C)O BB12-1676 [0,1,0,0,0,0|2,0,1]=4 31 B6R0.4 CCOCC(=O)Cl BB01-8267 [0,1,0,0,0,0|2,0,0]=3 32 B6R0.4 CCSCC(=O)O BB12-3264 [0,1,0,0,0,0|2,0,0]=3 33 B6R0.4 CNCCC(=O)O BB12-1452 [0,1,0,0,0,0|2,0,0]=3 34 B6R0.4 COCCC(=O)Cl BB20-1617 [0,1,0,0,0,0|2,0,0]=3 35 B6R0.4 COCCC(C)=O BB58-1056 [0,1,0,0,0,0|2,0,0]=3 36 B6R0.4 CSCCC(=N)N BB12-3715 [0,1,0,0,0,0|3,0,0]=4 37 B6R0.4 N=C(N)CCCCl BB54-4116 [0,1,0,0,0,0|3,0,0]=4 38 B6R0.4 NC(=O)CCCCl BB57-2489 [0,1,0,0,0,0|2,0,0]=3 39 B6R0.4 NCCCC(N)=O BB57-4725 [0,1,0,0,0,0|2,0,0]=3 40 B6R0.4 NCCNC(N)=S BB58-1242 [0,1,0,0,0,0|2,1,0]=4 41 B6R0.6 C=CCCCC#N BB12-2224 [0,1,0,0,0,0|2,0,1]=4 42 B6R0.6 CCCCCNC BB57-3734 [0,1,0,0,0,0|2,0,1]=4 43 B6R0.6 CCCCCNN BB12-2485 [0,1,0,0,0,0|2,0,1]=4 44 B6R0.6 CCCSCCN BB53-1582 [0,1,0,0,0,0|1,1,1]=4 45 B6R0.6 CCOCCNC BB57-2926 [0,1,0,0,0,0|1,0,1]=3 46 B6R0.6 CCSCCNC BB12-0971 [0,1,0,0,0,0|1,1,1]=4 47 B6R0.6 COCCN=C=S BB53-1315 [0,1,0,0,0,0|1,1,1]=4 48 B6R0.6 FCCCCCBr BB57-3968 [0,1,0,0,0,0|2,0,1]=4 49 B6R0.6 [C-]#[N+]CCCOC BB56-1464 [0,1,0,0,0,0|3,0,0]=4 50 B6R1.1 C1CCONC1 BB57-1044 [0,0,0,1,0,0|2,0,0]=3 51 B6R1.2 CC1=NCCN1 BB01-8036 [0,0,0,1,0,0|3,0,0]=4 52 B6R1.2 N=C1NCCN1 BB20-0100 [0,0,0,1,0,0|3,0,0]=4 53 B6R1.2 NC1CCOC1 BB55-5168 [0,0,0,1,0,0|2,0,1]=4 54 B6R1.2 OC1CNOC1 BB12-1709 [0,0,0,1,0,0|3,0,0]=4 55 B6R1.3 CC#CC1CC1 BB12-2979 [0,0,0,1,0,0|2,0,1]=4 56 B6R1.3 CCNC1CC1 BB57-0155 [0,0,0,1,0,0|2,0,1]=4 57 B6R1.3 CNCC1CC1 BB55-8900 [0,0,0,1,0,0|3,0,0]=4 58 B6R1.3 NNCC1CC1 BB58-1934 [0,0,0,1,0,0|3,0,0]=4 59 B6R1.3 S=C=NC1CC1 BB53-1314 [0,0,0,1,0,0|1,1,1]=4 60 B6R1.6 CNC1CCC1 BB58-0080 [0,0,0,1,0,0|3,0,0]=4 61 B6R1.6 NCC1CCC1 BB12-1679 [0,0,0,1,0,0|2,0,1]=4 62 B3R0.1 CNOC BB01-7679 [2,0,0,0,0,0|1,0,1]=4 63 B3R0.1 NNC=O BB12-2770 [2,0,0,0,0,0|2,0,0]=4 64 B3R0.1 [C-]#[N+]CC BB56-1802 [2,0,0,0,0,0|1,0,1]=4 65 B5R0.1 CC(=O)CC#N BB54-5411 [1,1,0,0,0,0|1,0,1]=4 66 B5R0.1 CC(N)CCO BB57-1076 [1,1,0,0,0,0|0,0,2]=4 67 B5R0.1 CC(O)CNN BB58-3435 [1,1,0,0,0,0|2,0,0]=4 68 B5R0.1 CCOC(C)=N BB12-3674 [1,1,0,0,0,0|1,0,0]=3 69 B5R0.1 CNCC(C)=O BB12-3010 [1,1,0,0,0,0|1,0,0]=3 70 B5R0.1 CNCC(C)O BB12-1288 [1,1,0,0,0,0|1,0,1]=4 71 B5R0.1 COCC(N)=S BB58-4256 [1,1,0,0,0,0|1,1,0]=4 72 B5R0.1 CS(=O)CCN BB55-5915 [1,1,0,0,0,0|1,1,0]=4 73 B5R0.1 NC(=O)CCO BB58-1090 [1,1,0,0,0,0|1,0,0]=3 74 B5R0.3 CCC(C)NC BB53-1672 [1,1,0,0,0,0|1,0,1]=4 75 B5R0.3 COC(C)CN BB55-4647 [1,1,0,0,0,0|1,0,1]=4 76 B5R0.3 [C-]#[N+]C(C)CC BB56-1204 [1,1,0,0,0,0|1,0,1]=4 77 B7R0.2 CCC(C)NC(N)=O BB01-7615 [0,2,0,0,0,0|1,0,0]=3 78 B7R0.2 CCN(C)CC(=O)O BB12-1321 [0,2,0,0,0,0|2,0,0]=4 79 B7R0.2 CCN(C)CC(C)=O BB12-2316 [0,2,0,0,0,0|2,0,0]=4 80 B7R0.2 CNC(C)CC(=O)O BB12-1285 [0,2,0,0,0,0|2,0,0]=4 81 B7R0.3 CCC(=O)NCCN BB12-2323 [0,2,0,0,0,0|2,0,0]=4 82 B7R0.3 CCCCC(=O)NN BB12-2550 [0,2,0,0,0,0|1,0,0]=3 83 B7R0.3 CCCOC(C)CN BB55-6921 [0,2,0,0,0,0|1,0,1]=4 84 B7R0.3 CCO\C=C(\C)C=O BB12-3547 [0,2,0,0,0,0|1,0,1]=4 85 B7R0.3 CNC(=O)CCCN BB55-7167 [0,2,0,0,0,0|2,0,0]=4 86 B7R0.3 CNCCC(=O)NC BB12-1428 [0,2,0,0,0,0|2,0,0]=4 87 B7R0.3 COCCC(=O)NN BB20-4502 [0,2,0,0,0,0|2,0,0]=4 88 B7R0.3 NNC(=O)CCCO BB55-4806 [0,2,0,0,0,0|2,0,0]=4 89 B7R0.3 O=C(CCl)NCCCl BB57-4227 [0,2,0,0,0,0|2,0,0]=4 90 B7R0.5 CC(=O)N(C)CCO BB55-7164 [0,2,0,0,0,0|2,0,0]=4 91 B7R0.5 CCNC(=O)C(=O)O BB57-2473 [0,2,0,0,0,0|2,0,0]=4 92 B7R0.5 CCSC(C)C(=O)O BB12-3261 [0,2,0,0,0,0|2,0,0]=4 93 B7R0.5 CNCC(C)C(=O)O BB12-1637 [0,2,0,0,0,0|2,0,0]=4 94 B7R0.12 CCOC(CC)CBr BB12-3730 [0,2,0,0,0,0|1,0,1]=4 95 B7R0.4 C=CCCNC(C)C BB58-4949 [0,2,0,0,0,0|2,0,0]=4 96 B7R0.4 CC(=O)NCCCN BB32-2735 [0,2,0,0,0,0|1,0,0]=3 97 B7R0.4 CC(=O)NCCCO BB12-3384 [0,2,0,0,0,0|1,0,0]=3 98 B7R0.4 CC(C)CCN=C=O BB01-6540 [0,2,0,0,0,0|1,0,1]=4 99 B7R0.4 CCCNCC(=O)O BB20-0186 [0,2,0,0,0,0|1,0,0]=3 100 B7R0.4 CCCOCC(=O)O BB55-7872 [0,2,0,0,0,0|0,0,0]=2 101 B7R0.4 CCCSCC(=O)O BB12-3263 [0,2,0,0,0,0|0,1,0]=3 102 B7R0.4 CCOCCC(=O)Cl BB58-1931 [0,2,0,0,0,0|1,0,0]=3 103 B7R0.4 CCSCCC(=O)O BB12-3270 [0,2,0,0,0,0|1,0,0]=3 104 B7R0.4 NC(=O)CSCCO BB53-1357 [0,2,0,0,0,0|1,1,0]=4 105 B7R0.4 O=C(O)CNCCO BB58-1263 [0,2,0,0,0,0|2,0,0]=4 106 B7R0.6 C=C(C)COC(C)=O BB12-2984 [0,2,0,0,0,0|0,0,1]=3 107 B7R0.6 CC(=O)OCC(=O)Cl BB12-3445 [0,2,0,0,0,0|1,0,1]=4 108 B7R0.6 CC(C)CNC(N)=O BB01-7595 [0,2,0,0,0,0|1,0,0]=3 109 B7R0.6 CC(C)SCC(=O)O BB12-3365 [0,2,0,0,0,0|2,0,0]=4 110 B7R0.6 CN(C)CCC(=O)O BB55-3488 [0,2,0,0,0,0|2,0,0]=4 111 B7R0.8 O=P(Cl)(Cl)OCCBr BB54-5401 [0,2,0,0,0,0|2,0,0]=4 112 B7R0.1 CCCCOCCN BB53-1642 [0,2,0,0,0,0|1,0,1]=4 113 B5R1.2 O=C1CNC1 BB20-3400 [1,0,0,1,0,0|1,0,0]=3 114 B5R1.3 FCC1CO1 BB57-4956 [1,0,0,1,0,0|1,0,1]=4 115 B7R1.1 NCC1CCCO1 BB12-1343 [0,1,0,1,0,0|1,0,1]=4 116 B7R1.2 CC1CNC(=O)C1 BB58-5429 [0,1,0,1,0,0|1,0,0]=3 117 B7R1.2 CC1CNC(=O)O1 BB57-3655 [0,1,0,1,0,0|1,0,0]=3 118 B7R1.2 CC1CNC(=S)N1 BB20-1218 [0,1,0,1,0,0|1,1,0]=4 119 B7R1.2 CC1COC(=O)N1 BB57-2454 [0,1,0,1,0,0|0,0,0]=2 120 B7R1.2 O=C1C=C(O)CC1 BB12-0743 [0,1,0,1,0,0|1,0,1]=4 121 B7R1.2 O=C1C=C(O)CO1 BB54-5190 [0,1,0,1,0,0|0,0,2]=4 122 B7R1.2 O=[13C]1CC[13C](=O)O1 BB54-5289 [0,1,0,1,0,0|0,0,1]=3 123 B7R1.3 BrC1CCCOC1 BB55-3590 [0,1,0,1,0,0|1,0,1]=4 124 B7R1.3 CC1=CCNCC1 BB57-2457 [0,1,0,1,0,0|2,0,0]=4 125 B7R1.3 CC1CCOCC1 BB32-2892 [0,1,0,1,0,0|1,0,1]=4 126 B7R1.3 CC1CNCCO1 BB57-2444 [0,1,0,1,0,0|1,0,1]=4 127 B7R1.3 NC1CCCOC1 BB12-2177 [0,1,0,1,0,0|1,0,1]=4 128 B7R1.3 NC1CCOCC1 BB54-3533 [0,1,0,1,0,0|1,0,1]=4 129 B7R1.3 O=C1CNCCN1 BB54-4362 [0,1,0,1,0,0|1,0,0]=3 130 B7R1.3 O=C1CSCCN1 BB20-1255 [0,1,0,1,0,0|1,0,0]=3 131 B7R1.3 OC1CCOCC1 BB12-1171 [0,1,0,1,0,0|1,0,1]=4 132 B7R1.4 NC1CCCC1=O BB58-3328 [0,1,0,1,0,0|1,0,0]=3 133 B7R1.4 NC1CCNC1=O BB12-2184 [0,1,0,1,0,0|1,0,0]=3 134 B7R1.12 O=C(O)[C@H]1C[C@@H]1F BB31-3333 [0,1,0,1,0,0|2,0,0]=4 135 B7R1.18 NC(=O)C1CCC1 BB12-3033 [0,1,0,1,0,0|1,0,0]=3 136 B7R1.18 O=C(O)C1CCN1 BB57-4884 [0,1,0,1,0,0|2,0,0]=4 137 B7R1.18 O=C(O)C1CCO1 BB31-4760 [0,1,0,1,0,0|2,0,0]=4 138 B7R1.20 O=C(Cl)CC1CC1 BB57-3744 [0,1,0,1,0,0|1,0,0]=3 139 B7R1.24 C1CNCCOC1 BB57-0752 [0,1,0,1,0,0|1,0,1]=4