0 B5R0.1 CCOC(C)=N BB12-3674 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.1 CNCC(C)=O BB12-3010 [0,0,0,0,0,0|2,0,0]=2 2 B5R0.1 CNCC(C)O BB12-1288 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.1 N#CCC(N)=S BB56-1845 [0,0,0,0,0,0|1,1,1]=3 4 B4R0.1 C\C(N)=N\O BB53-1937 [1,0,0,0,0,0|3,0,0]=4 5 B4R0.2 CSCCCl BB53-1396 [1,0,0,0,0,0|2,0,1]=4 6 B4R0.2 CSCCN BB12-0970 [1,0,0,0,0,0|1,0,1]=3 7 B6R0.1 C#CC(=O)OCC BB53-1426 [0,1,0,0,0,0|2,0,0]=3 8 B6R0.1 CC(CN)CCN BB12-1906 [0,1,0,0,0,0|2,0,1]=4 9 B6R0.1 CCC\C(N)=N\O BB10-0037 [0,1,0,0,0,0|0,0,1]=2 10 B6R0.1 CCNC(=S)NN BB12-3098 [0,1,0,0,0,0|1,1,0]=3 11 B6R0.1 CC[C@H](N)COC BB20-3253 [0,1,0,0,0,0|2,0,1]=4 12 B6R0.1 CNC(=O)CC#N BB12-1423 [0,1,0,0,0,0|1,0,1]=3 13 B6R0.1 CNC(=O)CCCl BB12-1619 [0,1,0,0,0,0|1,0,0]=2 14 B6R0.1 CNC(=O)CCN BB12-1715 [0,1,0,0,0,0|1,0,0]=2 15 B6R0.1 CNC(=O)CCO BB12-3660 [0,1,0,0,0,0|1,0,0]=2 16 B6R0.1 CNC(C)CCO BB12-1373 [0,1,0,0,0,0|2,0,1]=4 17 B6R0.1 CNCC(=O)NN BB12-1497 [0,1,0,0,0,0|1,0,0]=2 18 B6R0.1 COC(=O)CCN BB12-2761 [0,1,0,0,0,0|2,0,0]=3 19 B6R0.1 COC(=O)CCO BB12-1300 [0,1,0,0,0,0|2,0,0]=3 20 B6R0.1 COC\C(N)=N\O BB20-4328 [0,1,0,0,0,0|1,0,1]=3 21 B6R0.1 CSC\C(N)=N\O BB12-3469 [0,1,0,0,0,0|1,0,1]=3 22 B6R0.1 N\C(CCO)=N/O BB12-3471 [0,1,0,0,0,0|1,0,1]=3 23 B6R0.2 CC(=O)NC(=N)N BB56-2578 [0,1,0,0,0,0|2,0,1]=4 24 B6R0.2 CC(N)CC(=O)O BB12-2890 [0,1,0,0,0,0|1,0,0]=2 25 B6R0.3 CC(CO)[N+](=O)[O-] BB12-1675 [0,1,0,0,0,0|3,0,0]=4 26 B6R0.3 CSC(C)C(=O)O BB12-2671 [0,1,0,0,0,0|2,0,0]=3 27 B6R0.3 NC(=O)\C(N)=N\O BB12-3387 [0,1,0,0,0,0|2,0,1]=4 28 B6R0.3 NNC(=O)C(N)=O BB12-2523 [0,1,0,0,0,0|2,0,1]=4 29 B6R0.4 CCNCC(C)O BB12-1676 [0,1,0,0,0,0|1,0,2]=4 30 B6R0.4 CCSCC(=O)O BB12-3264 [0,1,0,0,0,0|1,0,0]=2 31 B6R0.4 CNCCC(=O)O BB12-1452 [0,1,0,0,0,0|1,0,0]=2 32 B6R0.4 COCCC(=O)Cl BB20-1617 [0,1,0,0,0,0|1,0,0]=2 33 B6R0.4 CSCCC(=N)N BB12-3715 [0,1,0,0,0,0|1,0,0]=2 34 B6R0.5 COCC(C)(C)N BB53-1697 [0,1,0,0,0,0|2,0,1]=4 35 B6R0.5 CS(=O)(=O)CCN BB53-1620 [0,1,0,0,0,0|3,0,0]=4 36 B6R0.5 CS(=O)(=O)CCO BB53-1360 [0,1,0,0,0,0|3,0,0]=4 37 B6R1.11 N=C(N)C1CC1 BB53-1675 [0,0,0,1,0,0|1,0,0]=2 38 B6R1.11 NC(=S)C1CC1 BB12-3485 [0,0,0,1,0,0|0,1,0]=2 39 B3R0.1 NNC=O BB12-2770 [2,0,0,0,0,0|2,0,0]=4 40 B3R0.1 N\C=N/O BB12-3512 [2,0,0,0,0,0|2,0,0]=4 41 B3R0.1 [C-]#[N+]CC BB56-1802 [2,0,0,0,0,0|1,0,1]=4 42 B3R0.2 CS(=O)[O-] BB12-1172 [2,0,0,0,0,0|2,0,0]=4 43 B5R0.3 CCC(C)NC BB53-1672 [1,1,0,0,0,0|1,0,1]=4 44 B5R0.3 CC\C(N)=N\O BB12-3467 [1,1,0,0,0,0|0,0,1]=3 45 B5R0.3 CNC(=S)NN BB12-2784 [1,1,0,0,0,0|1,1,0]=4 46 B5R0.5 CC(Cl)C(N)=O BB12-1307 [1,1,0,0,0,0|0,0,0]=2 47 B5R0.2 CCSCCN BB53-1545 [1,1,0,0,0,0|0,0,1]=3 48 B5R0.2 CSCCC#N BB12-3714 [1,1,0,0,0,0|0,0,2]=4 49 B5R0.2 [C-]#[N+]CCCC BB56-0718 [1,1,0,0,0,0|0,0,2]=4 50 B5R0.2 [C-]#[N+]CCOC BB56-1837 [1,1,0,0,0,0|2,0,0]=4 51 B7R0.2 CC(C)CC(=O)NN BB12-2655 [0,2,0,0,0,0|0,0,0]=2 52 B7R0.2 CCN(C)CC(=O)O BB12-1321 [0,2,0,0,0,0|1,0,0]=3 53 B7R0.2 CCN(C)CC(C)=O BB12-2316 [0,2,0,0,0,0|1,0,0]=3 54 B7R0.2 CNC(=O)CC(C)N BB12-1658 [0,2,0,0,0,0|0,0,0]=2 55 B7R0.2 CNC(C)CC(=O)O BB12-1285 [0,2,0,0,0,0|1,0,0]=3 56 B7R0.3 CCC(=O)NCCN BB12-2323 [0,2,0,0,0,0|2,0,0]=4 57 B7R0.3 CCCCC(=O)NN BB12-2550 [0,2,0,0,0,0|0,0,0]=2 58 B7R0.3 CCCCC(N)CO BB56-2048 [0,2,0,0,0,0|0,0,2]=4 59 B7R0.3 CCO\C=C(\C)C=O BB12-3547 [0,2,0,0,0,0|1,0,1]=4 60 B7R0.3 CNCCC(=O)NC BB12-1428 [0,2,0,0,0,0|0,0,0]=2 61 B7R0.3 COCCC(=O)NN BB20-4502 [0,2,0,0,0,0|0,0,0]=2 62 B7R0.3 COCC\C(N)=N\O BB12-3470 [0,2,0,0,0,0|0,0,1]=3 63 B7R0.3 CSCCC(N)CO BB56-2047 [0,2,0,0,0,0|0,0,2]=4 64 B7R0.5 CCSC(C)C(=O)O BB12-3261 [0,2,0,0,0,0|1,0,0]=3 65 B7R0.5 CN(C)C(=O)CC#N BB12-1492 [0,2,0,0,0,0|1,0,1]=4 66 B7R0.5 CN(C)C(=O)CCCl BB12-1527 [0,2,0,0,0,0|1,0,0]=3 67 B7R0.5 CN(C)C(=O)CCO BB12-3663 [0,2,0,0,0,0|1,0,0]=3 68 B7R0.5 CNCC(C)C(=O)O BB12-1637 [0,2,0,0,0,0|1,0,0]=3 69 B7R0.7 CCOC(=O)CCO BB12-1446 [0,2,0,0,0,0|2,0,0]=4 70 B7R0.10 CCN(C)C(=O)CCl BB12-2479 [0,2,0,0,0,0|2,0,0]=4 71 B7R0.10 CNC(=O)C(C)NC BB12-3606 [0,2,0,0,0,0|1,0,0]=3 72 B7R0.9 CC(=O)CS(C)(=O)=O BB12-0011 [0,2,0,0,0,0|2,0,0]=4 73 B7R0.9 CC(C)(C)OC(N)=O BB56-2323 [0,2,0,0,0,0|1,0,0]=3 74 B7R0.16 CC(C(=O)O)N(C)C BB12-1429 [0,2,0,0,0,0|2,0,0]=4 75 B7R0.13 CCC(C)(N)C(=O)O BB56-0974 [0,2,0,0,0,0|1,0,0]=3 76 B7R0.4 C=CCSCC(=O)O BB12-3265 [0,2,0,0,0,0|1,0,1]=4 77 B7R0.4 CC(=O)NCCCO BB12-3384 [0,2,0,0,0,0|1,0,0]=3 78 B7R0.4 CCCSCC(=O)O BB12-3263 [0,2,0,0,0,0|1,0,0]=3 79 B7R0.4 CCSCCC(=O)O BB12-3270 [0,2,0,0,0,0|1,0,0]=3 80 B7R0.4 NC(=O)CSCCO BB53-1357 [0,2,0,0,0,0|0,0,0]=2 81 B7R0.6 C=C(C)COC(C)=O BB12-2984 [0,2,0,0,0,0|1,0,1]=4 82 B7R0.6 CC(=O)OCC(=O)Cl BB12-3445 [0,2,0,0,0,0|1,0,1]=4 83 B7R0.6 CC(C)=NNC(N)=O BB12-2973 [0,2,0,0,0,0|1,0,1]=4 84 B7R0.6 CC(C)SCC(=O)O BB12-3365 [0,2,0,0,0,0|1,0,0]=3 85 B5R1.2 O=C1CNC1 BB20-3400 [1,0,0,1,0,0|2,0,0]=4 86 B7R1.1 CNC1CCCC1 BB53-1678 [0,1,0,1,0,0|1,0,1]=4 87 B7R1.1 ClCC1=NCCN1 BB12-2991 [0,1,0,1,0,0|2,0,0]=4 88 B7R1.2 O=C1C=C(O)CC1 BB12-0743 [0,1,0,1,0,0|1,0,1]=4 89 B7R1.2 O=C1CNC(=S)N1 BB20-3124 [0,1,0,1,0,0|1,0,1]=4 90 B7R1.3 NC1CCCOC1 BB12-2177 [0,1,0,1,0,0|0,0,2]=4 91 B7R1.4 NC1CCNC1=O BB12-2184 [0,1,0,1,0,0|0,0,0]=2 92 B7R1.22 N\C(=N/O)C1CC1 BB10-0038 [0,1,0,1,0,0|0,0,1]=3 93 B7R1.18 NC(=O)C1CCC1 BB12-3033 [0,1,0,1,0,0|0,0,0]=2