0 B5R0.2 C=COCCN BB57-6790 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.2 CNCCSC BB57-4145 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.2 COCCNN BB58-0266 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.2 CSCCC#N BB12-3714 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.2 N#CCCCN BB58-1324 [0,0,0,0,0,0|2,0,2]=4 5 B5R0.2 N#CCCCO BB58-5314 [0,0,0,0,0,0|1,0,3]=4 6 B5R0.2 NNCCCO BB58-0747 [0,0,0,0,0,0|2,0,2]=4 7 B5R0.2 O=CNNC=O BB12-1708 [0,0,0,0,0,0|3,0,0]=3 8 B5R0.2 OCCCCCl BB54-0721 [0,0,0,0,0,0|1,0,3]=4 9 B5R0.2 [C-]#[N+]CCCC BB56-0718 [0,0,0,0,0,0|2,0,2]=4 10 B5R0.2 [C-]#[N+]CCOC BB56-1837 [0,0,0,0,0,0|3,0,1]=4 11 B4R0.2 CCCNN BB58-2805 [1,0,0,0,0,0|2,0,1]=4 12 B4R0.2 CNCCCl BB57-4776 [1,0,0,0,0,0|2,0,1]=4 13 B4R0.2 CNCCI BB57-4692 [1,0,0,0,0,0|2,0,1]=4 14 B4R0.2 CSCCCl BB53-1396 [1,0,0,0,0,0|2,0,1]=4 15 B4R0.2 CSCCN BB12-0970 [1,0,0,0,0,0|2,0,1]=4 16 B6R0.4 C=CCNC(C)C BB12-1319 [0,1,0,0,0,0|2,0,1]=4 17 B6R0.4 CC(=O)NCC#N BB57-3731 [0,1,0,0,0,0|2,0,1]=4 18 B6R0.4 CCCCC(N)=S BB31-3291 [0,1,0,0,0,0|0,1,2]=4 19 B6R0.4 CCCNC(N)=O BB01-7603 [0,1,0,0,0,0|1,0,2]=4 20 B6R0.4 CCOCC(=O)Cl BB01-8267 [0,1,0,0,0,0|1,0,2]=4 21 B6R0.4 CCSCC(=O)O BB12-3264 [0,1,0,0,0,0|1,0,2]=4 22 B6R0.4 CNCCC(=O)O BB12-1452 [0,1,0,0,0,0|1,0,1]=3 23 B6R0.4 COCCC(=O)Cl BB20-1617 [0,1,0,0,0,0|1,0,1]=3 24 B6R0.4 COCCC(C)=O BB58-1056 [0,1,0,0,0,0|1,0,1]=3 25 B6R0.4 CSCCC(=N)N BB12-3715 [0,1,0,0,0,0|2,0,1]=4 26 B6R0.4 N=C(N)CCCCl BB54-4116 [0,1,0,0,0,0|2,0,1]=4 27 B6R0.4 NC(=O)CCCCl BB57-2489 [0,1,0,0,0,0|1,0,1]=3 28 B6R0.4 NC(=S)NNC=O BB58-1807 [0,1,0,0,0,0|3,0,0]=4 29 B6R0.4 NCCCC(N)=O BB57-4725 [0,1,0,0,0,0|1,0,1]=3 30 B6R0.6 C=CCCCC#N BB12-2224 [0,1,0,0,0,0|1,0,1]=3 31 B6R1.1 C1=CCONC1 BB12-1719 [0,0,0,1,0,0|3,0,0]=4 32 B6R1.2 BrC1=CC=NS1 BB54-5514 [0,0,0,1,0,0|3,0,0]=4 33 B6R1.2 CC1=CC=NN1 BB56-1939 [0,0,0,1,0,0|3,0,0]=4 34 B6R1.2 NC1=NNC=C1 BB54-4623 [0,0,0,1,0,0|3,0,0]=4 35 B6R1.2 O=C1NC=CN1 BB57-4795 [0,0,0,1,0,0|2,0,1]=4 36 B6R1.2 O=C1NC=NN1 BB54-5765 [0,0,0,1,0,0|3,0,0]=4 37 B3R0.1 NNC=O BB12-2770 [2,0,0,0,0,0|2,0,0]=4 38 B3R0.1 [C-]#[N+]CC BB56-1802 [2,0,0,0,0,0|1,0,1]=4 39 B5R0.1 C=C(C)CNN BB57-2407 [1,1,0,0,0,0|2,0,0]=4 40 B5R0.1 CC(=O)CC#N BB54-5411 [1,1,0,0,0,0|1,0,1]=4 41 B5R0.1 CNCC(C)=O BB12-3010 [1,1,0,0,0,0|1,0,1]=4 42 B5R0.1 CS(=O)CCN BB55-5915 [1,1,0,0,0,0|2,0,0]=4 43 B5R0.1 NC(=O)CCO BB58-1090 [1,1,0,0,0,0|1,0,0]=3 44 B7R0.2 CNC(C)CC(=O)O BB12-1285 [0,2,0,0,0,0|1,0,1]=4 45 B7R0.3 C=CCNC(=O)CCl BB17-2019 [0,2,0,0,0,0|1,0,0]=3 46 B7R0.3 CCCCC(=O)NN BB12-2550 [0,2,0,0,0,0|0,0,2]=4 47 B7R0.3 CNC(=O)CCCN BB55-7167 [0,2,0,0,0,0|1,0,1]=4 48 B7R0.3 CNCCC(=O)NC BB12-1428 [0,2,0,0,0,0|1,0,1]=4 49 B7R0.3 COCCC(=O)NN BB20-4502 [0,2,0,0,0,0|1,0,1]=4 50 B7R0.3 NNC(=O)CCCO BB55-4806 [0,2,0,0,0,0|1,0,1]=4 51 B7R0.5 CC(NC=O)C(=O)O BB12-1345 [0,2,0,0,0,0|2,0,0]=4 52 B7R0.5 CNCC(C)C(=O)O BB12-1637 [0,2,0,0,0,0|1,0,1]=4 53 B7R0.4 C=CCCNC(C)C BB58-4949 [0,2,0,0,0,0|1,0,1]=4 54 B7R0.4 C=CCSCC(=O)O BB12-3265 [0,2,0,0,0,0|0,0,0]=2 55 B7R0.4 CC(=O)NCCCN BB32-2735 [0,2,0,0,0,0|1,0,1]=4 56 B7R0.4 CC(=O)NCCCO BB12-3384 [0,2,0,0,0,0|1,0,1]=4 57 B7R0.4 CCCNCC(=O)O BB20-0186 [0,2,0,0,0,0|0,0,2]=4 58 B7R0.4 CCCOCC(=O)O BB55-7872 [0,2,0,0,0,0|0,0,2]=4 59 B7R0.4 CCCSCC(=O)O BB12-3263 [0,2,0,0,0,0|0,0,2]=4 60 B7R0.4 CCOCCC(=O)Cl BB58-1931 [0,2,0,0,0,0|0,0,2]=4 61 B7R0.4 CCSCCC(=O)O BB12-3270 [0,2,0,0,0,0|0,0,2]=4 62 B7R0.4 NC(=O)CSCCO BB53-1357 [0,2,0,0,0,0|1,0,1]=4 63 B7R0.4 O=C(O)CNCCO BB58-1263 [0,2,0,0,0,0|1,0,1]=4 64 B7R0.6 C=C(C)COC(C)=O BB12-2984 [0,2,0,0,0,0|1,0,0]=3 65 B7R0.6 CC(=O)OCC(=O)Cl BB12-3445 [0,2,0,0,0,0|1,0,1]=4 66 B7R0.6 CN(C)CCC(=O)O BB55-3488 [0,2,0,0,0,0|1,0,1]=4 67 B7R0.6 N=C(N)SCC(=O)O BB55-4565 [0,2,0,0,0,0|2,0,0]=4 68 B7R0.6 N=C(N)SCC(N)=O BB57-4170 [0,2,0,0,0,0|2,0,0]=4 69 B5R1.1 C1=CSN=C1 BB58-1903 [1,0,0,1,0,0|2,0,0]=4 70 B5R1.2 O=C1CNC1 BB20-3400 [1,0,0,1,0,0|1,0,1]=4 71 B7R1.1 O=CC1=CN=CS1 BB55-8342 [0,1,0,1,0,0|1,0,1]=4 72 B7R1.1 O=CC1=CSC=N1 BB57-0141 [0,1,0,1,0,0|1,0,1]=4 73 B7R1.2 CC1CNC(=O)C1 BB58-5429 [0,1,0,1,0,0|1,0,1]=4 74 B7R1.2 NC1=CC(=O)NO1 BB54-5766 [0,1,0,1,0,0|2,0,0]=4 75 B7R1.2 O=C1C=C(O)CC1 BB12-0743 [0,1,0,1,0,0|0,0,0]=2 76 B7R1.2 O=C1C=C(O)CO1 BB54-5190 [0,1,0,1,0,0|1,0,0]=3 77 B7R1.2 O=C1CNC(=S)N1 BB20-3124 [0,1,0,1,0,0|2,0,0]=4 78 B7R1.2 O=C1NC(=S)CS1 BB58-2054 [0,1,0,1,0,0|2,0,0]=4 79 B7R1.2 O=[13C]1CC[13C](=O)O1 BB54-5289 [0,1,0,1,0,0|1,0,0]=3 80 B7R1.3 CC1=CCNCC1 BB57-2457 [0,1,0,1,0,0|1,0,1]=4 81 B7R1.3 O=C1CNCCN1 BB54-4362 [0,1,0,1,0,0|1,0,1]=4 82 B7R1.3 O=C1CSCCN1 BB20-1255 [0,1,0,1,0,0|1,0,1]=4 83 B7R1.4 CC1=CNNC1=O BB58-3426 [0,1,0,1,0,0|2,0,0]=4 84 B7R1.4 NC1CCCC1=O BB58-3328 [0,1,0,1,0,0|0,0,2]=4 85 B7R1.4 NC1CCNC1=O BB12-2184 [0,1,0,1,0,0|1,0,1]=4 86 B7R1.12 O=C(O)[C@H]1C[C@@H]1F BB31-3333 [0,1,0,1,0,0|1,0,1]=4 87 B7R1.14 O=S1(=O)C=CCC1 BB54-3187 [0,1,0,1,0,0|1,0,0]=3 88 B7R1.18 NC(=O)C1CCC1 BB12-3033 [0,1,0,1,0,0|0,0,2]=4 89 B7R1.18 O=C(O)C1CCN1 BB57-4884 [0,1,0,1,0,0|1,0,1]=4 90 B7R1.18 O=C(O)C1CCO1 BB31-4760 [0,1,0,1,0,0|1,0,1]=4 91 B7R1.20 O=C(Cl)CC1CC1 BB57-3744 [0,1,0,1,0,0|0,0,2]=4