0 B7R0.7 CCNC(C)CCO BB12-1398 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.7 CCOC(=N)CCCl BB12-2325 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.7 CCOC(=O)CCO BB12-1446 [0,0,0,0,0,0|1,0,0]=1 3 B6R0.1 C#CC(=O)OCC BB53-1426 [1,0,0,0,0,0|0,0,2]=3 4 B6R0.1 CCC\C(N)=N\O BB10-0037 [1,0,0,0,0,0|3,0,0]=4 5 B6R0.1 CC[C@H](N)COC BB20-3253 [1,0,0,0,0,0|2,0,1]=4 6 B6R0.1 CNC(=O)CC#N BB12-1423 [1,0,0,0,0,0|2,0,1]=4 7 B6R0.1 CNC(=O)CCCl BB12-1619 [1,0,0,0,0,0|2,0,0]=3 8 B6R0.1 CNC(=O)CCN BB12-1715 [1,0,0,0,0,0|2,0,0]=3 9 B6R0.1 CNC(=O)CCO BB12-3660 [1,0,0,0,0,0|2,0,0]=3 10 B6R0.1 CNCC(=O)NN BB12-1497 [1,0,0,0,0,0|3,0,0]=4 11 B6R0.1 COC(=O)CCN BB12-2761 [1,0,0,0,0,0|1,0,0]=2 12 B6R0.1 COC(=O)CCO BB12-1300 [1,0,0,0,0,0|1,0,0]=2 13 B6R0.6 CCCSCCN BB53-1582 [1,0,0,0,0,0|3,0,0]=4 14 B6R0.6 CCSCCNC BB12-0971 [1,0,0,0,0,0|1,1,1]=4 15 B8R0.1 CCOC(=N)CCCCl BB12-2324 [0,1,0,0,0,0|1,0,0]=2 16 B8R0.1 CCOC(=O)CCC#N BB12-3513 [0,1,0,0,0,0|0,0,1]=2 17 B8R0.3 CCOC(=O)C(=O)CC BB12-2925 [0,1,0,0,0,0|0,0,1]=2 18 B8R0.3 [C-]#[N+]C(C)C(=O)OCC BB56-0006 [0,1,0,0,0,0|1,0,1]=3 19 B8R0.5 CC(C)NC(=O)CC#N BB12-1368 [0,1,0,0,0,0|2,0,1]=4 20 B8R0.5 CCOC(=O)CC(=N)N BB20-3533 [0,1,0,0,0,0|1,0,1]=3 21 B8R0.5 CCOC(=O)CC(C)N BB12-1720 [0,1,0,0,0,0|0,0,0]=1 22 B8R0.22 C#CC(OCC)OCC BB12-2983 [0,1,0,0,0,0|2,0,1]=4 23 B8R1.8 CCCC1CCCN1 BB56-1742 [0,0,0,1,0,0|2,0,1]=4 24 B8R1.8 CCOC1CCNC1 BB12-1138 [0,0,0,1,0,0|2,0,1]=4 25 B8R1.11 CCC1CCCC1=O BB12-2911 [0,0,0,1,0,0|1,0,0]=2 26 B8R1.22 CC1CCCCCN1 BB12-3099 [0,0,0,1,0,0|2,0,1]=4 27 B8R1.22 O=C1CCOCCN1 BB20-4217 [0,0,0,1,0,0|2,0,0]=3 28 B5R0.1 CCOC(C)=N BB12-3674 [2,0,0,0,0,0|1,0,0]=3 29 B5R0.1 CNCC(C)=O BB12-3010 [2,0,0,0,0,0|1,0,0]=3 30 B5R0.2 CCSCCN BB53-1545 [2,0,0,0,0,0|1,1,0]=4 31 B7R0.2 CC(C)CC(=O)NN BB12-2655 [1,1,0,0,0,0|2,0,0]=4 32 B7R0.2 CNC(=O)CC(C)N BB12-1658 [1,1,0,0,0,0|1,0,0]=3 33 B7R0.3 CCC(=O)NCCN BB12-2323 [1,1,0,0,0,0|1,0,0]=3 34 B7R0.3 CCCCC(=O)NN BB12-2550 [1,1,0,0,0,0|2,0,0]=4 35 B7R0.3 CCN(C)CCCN BB12-1555 [1,1,0,0,0,0|2,0,0]=4 36 B7R0.3 CCN(C)CCCO BB12-3254 [1,1,0,0,0,0|2,0,0]=4 37 B7R0.3 CNCCC(=O)NC BB12-1428 [1,1,0,0,0,0|1,0,0]=3 38 B7R0.3 COCCC(=O)NN BB20-4502 [1,1,0,0,0,0|2,0,0]=4 39 B7R0.5 CN(C)C(=O)CCCl BB12-1527 [1,1,0,0,0,0|2,0,0]=4 40 B7R0.5 CN(C)C(=O)CCO BB12-3663 [1,1,0,0,0,0|2,0,0]=4 41 B7R0.10 CCN(C)C(=O)CCl BB12-2479 [1,1,0,0,0,0|2,0,0]=4 42 B7R0.10 CNC(=O)C(C)NC BB12-3606 [1,1,0,0,0,0|2,0,0]=4 43 B7R0.11 CCS(=O)(=O)CCCl BB53-1535 [1,1,0,0,0,0|2,0,0]=4 44 B7R0.11 CCS(=O)(=O)CCN BB53-1627 [1,1,0,0,0,0|2,0,0]=4 45 B7R0.11 CCS(=O)(=O)CCO BB53-1534 [1,1,0,0,0,0|2,0,0]=4 46 B7R0.12 CCOC(CC)CBr BB12-3730 [1,1,0,0,0,0|1,0,1]=4 47 B7R0.1 CCCCOCCN BB53-1642 [1,1,0,0,0,0|0,0,1]=3 48 B9R0.5 CCNCCC(=O)OCC BB12-1650 [0,2,0,0,0,0|0,0,0]=2 49 B9R0.5 [C-]#[N+]CCCC(=O)OCC BB56-1524 [0,2,0,0,0,0|0,0,0]=2 50 B9R0.34 CCOC(=O)CC(C)NC BB12-1298 [0,2,0,0,0,0|0,0,0]=2 51 B9R0.35 CCOC(=O)C(C)CNC BB12-1638 [0,2,0,0,0,0|0,0,0]=2 52 B9R0.44 CNCC(=O)OC(C)(C)C BB20-3288 [0,2,0,0,0,0|1,0,0]=3 53 B9R0.17 CCCC(OCC)OCC BB12-3705 [0,2,0,0,0,0|0,0,2]=4 54 B7R1.4 NC1CCNC1=O BB12-2184 [1,0,0,1,0,0|2,0,0]=4 55 B9R1.49 CN1CCCC(=O)CC1 BB12-1456 [0,1,0,1,0,0|1,0,0]=3 56 B9R1.50 O=C1CCCCCCC1 BB12-2910 [0,1,0,1,0,0|1,0,0]=3 57 B9R1.137 CC(=O)CC(=O)C1CC1 BB12-3707 [0,1,0,1,0,0|1,0,1]=4