0 B6R0.4 CCNCC(C)O BB12-1676 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.4 CCSCC(=O)O BB12-3264 [0,0,0,0,0,0|1,0,0]=1 2 B6R0.4 CNCCC(=O)O BB12-1452 [0,0,0,0,0,0|1,0,0]=1 3 B6R0.4 COCCC(=O)Cl BB20-1617 [0,0,0,0,0,0|2,0,0]=2 4 B6R0.4 CSCCC(=N)N BB12-3715 [0,0,0,0,0,0|3,0,0]=3 5 B5R0.1 CCOC(C)=N BB12-3674 [1,0,0,0,0,0|3,0,0]=4 6 B5R0.1 CNCC(C)=O BB12-3010 [1,0,0,0,0,0|2,0,0]=3 7 B5R0.1 CNCC(C)O BB12-1288 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.2 CCSCCN BB53-1545 [1,0,0,0,0,0|2,0,1]=4 9 B5R0.2 CSCCC#N BB12-3714 [1,0,0,0,0,0|2,0,1]=4 10 B5R0.2 [C-]#[N+]CCCC BB56-0718 [1,0,0,0,0,0|2,0,0]=3 11 B5R0.2 [C-]#[N+]CCOC BB56-1837 [1,0,0,0,0,0|3,0,0]=4 12 B7R0.2 CCN(C)CC(=O)O BB12-1321 [0,1,0,0,0,0|1,0,0]=2 13 B7R0.2 CCN(C)CC(C)=O BB12-2316 [0,1,0,0,0,0|2,0,0]=3 14 B7R0.2 CNC(C)CC(=O)O BB12-1285 [0,1,0,0,0,0|1,0,0]=2 15 B7R0.3 CCC(=O)NCCN BB12-2323 [0,1,0,0,0,0|3,0,0]=4 16 B7R0.3 CCCCC(=O)NN BB12-2550 [0,1,0,0,0,0|1,0,0]=2 17 B7R0.3 CCCCC(N)CO BB56-2048 [0,1,0,0,0,0|1,0,1]=3 18 B7R0.3 CCO\C=C(\C)C=O BB12-3547 [0,1,0,0,0,0|2,0,1]=4 19 B7R0.3 CNCCC(=O)NC BB12-1428 [0,1,0,0,0,0|2,0,0]=3 20 B7R0.3 COCCC(=O)NN BB20-4502 [0,1,0,0,0,0|2,0,0]=3 21 B7R0.3 COCC\C(N)=N\O BB12-3470 [0,1,0,0,0,0|2,0,0]=3 22 B7R0.3 CSCCC(N)CO BB56-2047 [0,1,0,0,0,0|2,0,1]=4 23 B7R0.4 C=CCSCC(=O)O BB12-3265 [0,1,0,0,0,0|0,0,2]=3 24 B7R0.4 CC(=O)NCCCO BB12-3384 [0,1,0,0,0,0|2,0,0]=3 25 B7R0.4 CC(C)CCCCO BB12-2305 [0,1,0,0,0,0|2,0,1]=4 26 B7R0.4 CCCSCC(=O)O BB12-3263 [0,1,0,0,0,0|0,0,0]=1 27 B7R0.4 CCSCCC(=O)O BB12-3270 [0,1,0,0,0,0|0,0,0]=1 28 B7R0.4 NC(=O)CSCCO BB53-1357 [0,1,0,0,0,0|2,0,0]=3 29 B7R0.5 CC(NC=O)C(=O)O BB12-1345 [0,1,0,0,0,0|2,0,1]=4 30 B7R0.5 CCSC(C)C(=O)O BB12-3261 [0,1,0,0,0,0|1,0,0]=2 31 B7R0.5 CNCC(C)C(=O)O BB12-1637 [0,1,0,0,0,0|1,0,0]=2 32 B7R0.6 C=C(C)COC(C)=O BB12-2984 [0,1,0,0,0,0|2,0,1]=4 33 B7R0.6 CC(=O)OCC(=O)Cl BB12-3445 [0,1,0,0,0,0|2,0,1]=4 34 B7R0.6 CC(C)SCC(=O)O BB12-3365 [0,1,0,0,0,0|1,0,0]=2 35 B7R1.2 O=C1C=C(O)CC1 BB12-0743 [0,0,0,1,0,0|2,0,1]=4 36 B7R1.3 OC1CCOCC1 BB12-1171 [0,0,0,1,0,0|2,0,1]=4 37 B7R1.3 OC1CCSCC1 BB53-1540 [0,0,0,1,0,0|2,0,1]=4 38 B7R1.18 NC(=O)C1CCC1 BB12-3033 [0,0,0,1,0,0|1,0,0]=2 39 B4R0.2 CSCCCl BB53-1396 [2,0,0,0,0,0|2,0,0]=4 40 B4R0.2 CSCCN BB12-0970 [2,0,0,0,0,0|2,0,0]=4 41 B6R0.1 C#CC(=O)OCC BB53-1426 [1,1,0,0,0,0|2,0,0]=4 42 B6R0.1 CCC\C(N)=N\O BB10-0037 [1,1,0,0,0,0|1,0,0]=3 43 B6R0.1 CNC(=O)CCCl BB12-1619 [1,1,0,0,0,0|2,0,0]=4 44 B6R0.1 CNC(=O)CCN BB12-1715 [1,1,0,0,0,0|2,0,0]=4 45 B6R0.1 CNC(=O)CCO BB12-3660 [1,1,0,0,0,0|2,0,0]=4 46 B6R0.1 CNCC(=O)NN BB12-1497 [1,1,0,0,0,0|2,0,0]=4 47 B6R0.1 COC(=O)CCN BB12-2761 [1,1,0,0,0,0|1,0,0]=3 48 B6R0.1 COC(=O)CCO BB12-1300 [1,1,0,0,0,0|1,0,0]=3 49 B6R0.1 COC\C(N)=N\O BB20-4328 [1,1,0,0,0,0|2,0,0]=4 50 B6R0.1 CSC\C(N)=N\O BB12-3469 [1,1,0,0,0,0|2,0,0]=4 51 B6R0.1 N\C(CCO)=N/O BB12-3471 [1,1,0,0,0,0|2,0,0]=4 52 B6R0.2 CC(N)CC(=O)O BB12-2890 [1,1,0,0,0,0|0,0,0]=2 53 B6R0.3 CSC(C)C(=O)O BB12-2671 [1,1,0,0,0,0|1,0,0]=3 54 B6R0.6 C=CCCCC#N BB12-2224 [1,1,0,0,0,0|1,0,1]=4 55 B6R0.6 CCCSCCN BB53-1582 [1,1,0,0,0,0|1,0,1]=4 56 B6R0.6 CCSCCNC BB12-0971 [1,1,0,0,0,0|2,0,0]=4 57 B6R0.6 [C-]#[N+]CCCOC BB56-1464 [1,1,0,0,0,0|2,0,0]=4 58 B8R0.5 CCCC(N)CC(=O)O BB12-1701 [0,2,0,0,0,0|0,0,0]=2 59 B8R0.5 CN(CCO)CC(=O)O BB12-1628 [0,2,0,0,0,0|1,0,0]=3 60 B8R0.19 CCN(C)CC(=O)NN BB12-2715 [0,2,0,0,0,0|2,0,0]=4 61 B8R0.23 CC(CC(=O)O)N(C)C BB12-1308 [0,2,0,0,0,0|1,0,0]=3 62 B8R0.23 CC(CN(C)C)C(=O)O BB12-1434 [0,2,0,0,0,0|1,0,0]=3 63 B8R0.34 CCS(=O)(=O)CC(=O)O BB12-3267 [0,2,0,0,0,0|1,0,0]=3 64 B8R0.1 CCOC(=N)CCCCl BB12-2324 [0,2,0,0,0,0|2,0,0]=4 65 B8R0.1 CCOC(=O)CCC#N BB12-3513 [0,2,0,0,0,0|1,0,1]=4 66 B8R0.6 CCNCCC(=O)NN BB12-1383 [0,2,0,0,0,0|1,0,0]=3 67 B8R0.8 C=CCSC(C)C(=O)O BB12-3266 [0,2,0,0,0,0|0,0,2]=4 68 B8R0.8 CCCC[C@H](N)C(=O)O BB12-2277 [0,2,0,0,0,0|0,0,0]=2 69 B8R0.8 CN(C)C(=O)CCCCl BB12-3613 [0,2,0,0,0,0|2,0,0]=4 70 B8R0.9 CCN(C)CCC(=O)O BB12-3650 [0,2,0,0,0,0|0,0,0]=2 71 B8R0.9 CCS(=O)CCC(=O)O BB12-3269 [0,2,0,0,0,0|0,0,0]=2 72 B8R0.28 CN(C)CCCC(=O)O BB01-6266 [0,2,0,0,0,0|0,0,0]=2 73 B8R0.28 NC(=O)CCCC(=O)O BB12-2466 [0,2,0,0,0,0|0,0,1]=3 74 B8R0.28 NC(=O)COCC(=O)O BB12-2362 [0,2,0,0,0,0|1,0,1]=4 75 B8R0.29 CC(C)(N)CCC(=O)O BB12-1634 [0,2,0,0,0,0|0,0,0]=2 76 B6R1.11 N=C(N)C1CC1 BB53-1675 [1,0,0,1,0,0|2,0,0]=4 77 B6R1.11 NC(=S)C1CC1 BB12-3485 [1,0,0,1,0,0|1,1,0]=4 78 B6R1.6 NCC1CCC1 BB12-1679 [1,0,0,1,0,0|1,0,1]=4 79 B8R1.1 CC1=NOC(CN)C1 BB55-4169 [0,1,0,1,0,0|2,0,0]=4 80 B8R1.1 CC1=NOC(CO)C1 BB55-3949 [0,1,0,1,0,0|2,0,0]=4 81 B8R1.40 O=C(CCl)NC1CC1 BB53-1318 [0,1,0,1,0,0|2,0,0]=4 82 B8R1.51 CC1(C)CCC(=O)N1 BB12-1604 [0,1,0,1,0,0|1,0,0]=3 83 B8R1.51 CC1(C)COC(=O)N1 BB12-2312 [0,1,0,1,0,0|2,0,0]=4 84 B8R1.51 NC1CCS(=O)(=O)C1 BB12-2525 [0,1,0,1,0,0|1,0,1]=4 85 B8R1.2 OCC1CCCCC1 BB20-4574 [0,1,0,1,0,0|1,0,1]=4 86 B8R1.2 OCC1CCCCN1 BB56-1322 [0,1,0,1,0,0|1,0,1]=4 87 B8R1.2 ON=C1CCCCC1 BB12-1685 [0,1,0,1,0,0|1,0,0]=3 88 B8R1.3 O=C1CCS(=O)CC1 BB53-1536 [0,1,0,1,0,0|2,0,0]=4 89 B8R1.5 O=C1CCOCC1O BB17-2979 [0,1,0,1,0,0|1,0,0]=3 90 B8R1.5 O=C1OCCCC1Br BB17-3008 [0,1,0,1,0,0|0,0,0]=2 91 B8R1.22 O=C1CCOCCN1 BB20-4217 [0,1,0,1,0,0|1,0,0]=3 92 B8R1.38 COC(=O)C1CCC1 BB12-2967 [0,1,0,1,0,0|0,0,0]=2 93 B8R1.38 NNC(=O)C1CCC1 BB12-2674 [0,1,0,1,0,0|1,0,0]=3 94 B8R1.52 NC1(CO)CCCC1 BB56-2049 [0,1,0,1,0,0|1,0,1]=4 95 B8R1.7 NC(=O)[C@@H]1CCCN1 BB12-3488 [0,1,0,1,0,0|1,0,0]=3 96 B8R1.72 O=S1(=O)CCNCC1 BB12-1778 [0,1,0,1,0,0|1,0,1]=4