0 B5R0.1 C=C(C)CNN BB57-2407 [0,0,0,0,0,0|4,0,0]=4 1 B5R0.1 CC(=O)CC#N BB54-5411 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.1 CCOC(C)=N BB12-3674 [0,0,0,0,0,0|1,0,2]=3 3 B5R0.1 CNCC(C)=O BB12-3010 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.1 CS(=O)CCN BB55-5915 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.1 NC(=O)CCO BB58-1090 [0,0,0,0,0,0|3,0,1]=4 6 B4R0.1 C#CC(=C)C BB54-0485 [1,0,0,0,0,0|1,0,2]=4 7 B4R0.1 COC(=S)[S-] BB12-3031 [1,0,0,0,0,0|1,1,1]=4 8 B4R0.1 C\C(N)=N\O BB53-1937 [1,0,0,0,0,0|3,0,0]=4 9 B6R0.1 C#CC(=O)OCC BB53-1426 [0,1,0,0,0,0|0,0,3]=4 10 B6R0.1 CCNC(=O)CBr BB57-1139 [0,1,0,0,0,0|1,0,2]=4 11 B6R0.1 CCOC(=N)CC BB57-3767 [0,1,0,0,0,0|1,0,2]=4 12 B6R0.1 CCOC(=N)CCl BB57-3987 [0,1,0,0,0,0|1,0,2]=4 13 B6R0.1 CNC(=O)CC#N BB12-1423 [0,1,0,0,0,0|2,0,1]=4 14 B6R0.1 CNC(=O)CCCl BB12-1619 [0,1,0,0,0,0|2,0,1]=4 15 B6R0.1 CNC(=O)CCN BB12-1715 [0,1,0,0,0,0|2,0,1]=4 16 B6R0.1 CNC(=O)CCO BB12-3660 [0,1,0,0,0,0|2,0,1]=4 17 B6R0.1 CNCC(=O)NC BB01-4880 [0,1,0,0,0,0|2,0,1]=4 18 B6R0.1 CNNC(=O)OC BB58-0264 [0,1,0,0,0,0|2,0,1]=4 19 B6R0.1 COC(=O)CCN BB12-2761 [0,1,0,0,0,0|2,0,1]=4 20 B6R0.1 COC(=O)CCO BB12-1300 [0,1,0,0,0,0|2,0,1]=4 21 B6R0.2 CC(=O)NC(=N)N BB56-2578 [0,1,0,0,0,0|2,0,0]=3 22 B6R0.2 CC(C)=CC(=O)O BB01-7468 [0,1,0,0,0,0|2,0,1]=4 23 B6R0.2 NC(=O)CC(=O)O BB55-4726 [0,1,0,0,0,0|3,0,0]=4 24 B6R0.4 C=CCNC(C)C BB12-1319 [0,1,0,0,0,0|2,0,1]=4 25 B6R0.4 CC(=O)NCC#N BB57-3731 [0,1,0,0,0,0|1,0,2]=4 26 B6R0.4 CCOCC(=O)Cl BB01-8267 [0,1,0,0,0,0|1,0,2]=4 27 B6R0.4 COCCC(C)=O BB58-1056 [0,1,0,0,0,0|1,0,2]=4 28 B6R1.2 CC1=CC=NN1 BB56-1939 [0,0,0,1,0,0|3,0,0]=4 29 B6R1.2 CC1=NC=CS1 BB20-4630 [0,0,0,1,0,0|1,1,0]=3 30 B6R1.2 CC1=NNC=N1 BB12-3430 [0,0,0,1,0,0|3,0,0]=4 31 B6R1.2 NC1=NC=CO1 BB54-4580 [0,0,0,1,0,0|2,0,0]=3 32 B6R1.2 NC1=NC=CS1 BB17-0298 [0,0,0,1,0,0|2,1,0]=4 33 B6R1.2 NC1=NN=CO1 BB58-1966 [0,0,0,1,0,0|3,0,0]=4 34 B6R1.2 O=C1NC=CN1 BB57-4795 [0,0,0,1,0,0|2,0,0]=3 35 B6R1.2 O=C1NC=NN1 BB54-5765 [0,0,0,1,0,0|3,0,0]=4 36 B6R1.2 OC1=NN=CO1 BB58-1351 [0,0,0,1,0,0|2,0,1]=4 37 B3R0.1 CNOC BB01-7679 [2,0,0,0,0,0|1,0,1]=4 38 B3R0.1 NNC=O BB12-2770 [2,0,0,0,0,0|2,0,0]=4 39 B3R0.2 CS(=O)[O-] BB12-1172 [2,0,0,0,0,0|1,0,1]=4 40 B3R0.2 N[13C](N)=O BB54-5648 [2,0,0,0,0,0|2,0,0]=4 41 B5R0.3 CNC(=O)CBr BB55-6801 [1,1,0,0,0,0|1,0,1]=4 42 B5R0.3 CNC(=O)CO BB58-0349 [1,1,0,0,0,0|1,0,1]=4 43 B5R0.3 NNC(=O)CO BB12-3095 [1,1,0,0,0,0|2,0,0]=4 44 B5R0.3 NNC(=O)CS BB58-4379 [1,1,0,0,0,0|2,0,0]=4 45 B5R0.2 C=COCCN BB57-6790 [1,1,0,0,0,0|0,0,1]=3 46 B5R0.2 O=CNNC=O BB12-1708 [1,1,0,0,0,0|2,0,0]=4 47 B7R0.2 CNC(=O)CC(=O)O BB55-4725 [0,2,0,0,0,0|2,0,0]=4 48 B7R0.3 C=CCNC(=O)CCl BB17-2019 [0,2,0,0,0,0|1,0,0]=3 49 B7R0.3 CCO\C=C(\C)C=O BB12-3547 [0,2,0,0,0,0|0,0,2]=4 50 B7R0.5 CCOC(=O)N(C)N BB57-3659 [0,2,0,0,0,0|0,0,2]=4 51 B7R0.7 CCOC(=O)CCO BB12-1446 [0,2,0,0,0,0|0,0,2]=4 52 B7R0.7 CCOC(=O)CNN BB05-1938 [0,2,0,0,0,0|0,0,2]=4 53 B7R0.7 [C-]#[N+]CC(=O)OCC BB56-1762 [0,2,0,0,0,0|0,0,2]=4 54 B7R0.4 C=CCSCC(=O)O BB12-3265 [0,2,0,0,0,0|1,1,0]=4 55 B7R0.6 C=C(C)COC(C)=O BB12-2984 [0,2,0,0,0,0|0,0,0]=2 56 B7R0.6 CC(=O)OCC(=O)Cl BB12-3445 [0,2,0,0,0,0|0,0,1]=3 57 B5R1.2 O=C1CNC1 BB20-3400 [1,0,0,1,0,0|1,0,1]=4 58 B7R1.1 ClCC1=NC=CS1 BB55-8274 [0,1,0,1,0,0|1,1,0]=4 59 B7R1.1 ClCC1=NC=NO1 BB58-4501 [0,1,0,1,0,0|2,0,0]=4 60 B7R1.1 NCC1=NC=CN1 BB12-2726 [0,1,0,1,0,0|2,0,0]=4 61 B7R1.1 NCC1=NC=CS1 BB55-3479 [0,1,0,1,0,0|1,1,0]=4 62 B7R1.1 OCC1=NC=NO1 BB58-4497 [0,1,0,1,0,0|2,0,0]=4 63 B7R1.2 BrC1=CC=C(Br)O1 BB57-2079 [0,1,0,1,0,0|1,0,1]=4 64 B7R1.2 CC1=CC(C)=NO1 BB01-6357 [0,1,0,1,0,0|1,0,1]=4 65 B7R1.2 CC1=CC=C(N)S1 BB55-4553 [0,1,0,1,0,0|1,1,0]=4 66 B7R1.2 CC1=NC(Br)=NO1 BB12-3504 [0,1,0,1,0,0|2,0,0]=4 67 B7R1.2 CC1=NC(Cl)=NO1 BB57-2426 [0,1,0,1,0,0|2,0,0]=4 68 B7R1.2 CC1=NC(N)=NO1 BB12-3450 [0,1,0,1,0,0|2,0,0]=4 69 B7R1.2 CC1=NN=C(O)O1 BB12-2756 [0,1,0,1,0,0|2,0,0]=4 70 B7R1.2 CC1=NN=C(S)O1 BB12-2764 [0,1,0,1,0,0|2,0,0]=4 71 B7R1.2 CC1=NOC(N)=C1 BB12-3489 [0,1,0,1,0,0|2,0,0]=4 72 B7R1.2 CC1=NOC(N)=N1 BB12-3433 [0,1,0,1,0,0|2,0,0]=4 73 B7R1.2 CC1CNC(=O)O1 BB57-3655 [0,1,0,1,0,0|0,0,2]=4 74 B7R1.2 NC1=CC(=O)NO1 BB54-5766 [0,1,0,1,0,0|1,0,1]=4 75 B7R1.2 O=C1C=C(O)CC1 BB12-0743 [0,1,0,1,0,0|1,0,1]=4 76 B7R1.2 O=C1C=C(O)CO1 BB54-5190 [0,1,0,1,0,0|0,0,2]=4 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|0,0,1]=3 80 B7R1.3 CC1=CC=NC=N1 BB17-0193 [0,1,0,1,0,0|2,0,0]=4 81 B7R1.4 CC1=C(Br)SC=C1 BB56-2325 [0,1,0,1,0,0|1,1,0]=4 82 B7R1.4 CC1=CNNC1=O BB58-3426 [0,1,0,1,0,0|2,0,0]=4