0 B4R0.1 C\C(N)=N\O BB53-1937 [0,0,0,0,0,0|3,0,0]=3 1 B3R0.1 NNC=O BB12-2770 [1,0,0,0,0,0|2,0,0]=3 2 B3R0.1 N\C=N/O BB12-3512 [1,0,0,0,0,0|3,0,0]=4 3 B3R0.1 [C-]#[N+]CC BB56-1802 [1,0,0,0,0,0|1,0,1]=3 4 B3R0.2 CS(=O)[O-] BB12-1172 [1,0,0,0,0,0|2,0,0]=3 5 B5R0.1 CCOC(C)=N BB12-3674 [0,1,0,0,0,0|1,0,0]=2 6 B5R0.1 CNCC(C)=O BB12-3010 [0,1,0,0,0,0|0,0,0]=1 7 B5R0.1 CNCC(C)O BB12-1288 [0,1,0,0,0,0|0,0,2]=3 8 B5R0.1 N#CCC(N)=S BB56-1845 [0,1,0,0,0,0|1,1,1]=4 9 B5R0.3 CCC(C)NC BB53-1672 [0,1,0,0,0,0|1,0,1]=3 10 B5R0.3 CC\C(N)=N\O BB12-3467 [0,1,0,0,0,0|1,0,1]=3 11 B5R0.3 CNC(=S)NN BB12-2784 [0,1,0,0,0,0|2,1,0]=4 12 B5R0.3 CNC(C)CO BB12-1570 [0,1,0,0,0,0|1,0,2]=4 13 B5R0.3 [C-]#[N+]C(C)CC BB56-1204 [0,1,0,0,0,0|1,0,1]=3 14 B5R0.4 CC(C)(N)CO BB17-0635 [0,1,0,0,0,0|2,0,1]=4 15 B5R0.5 CC(Cl)C(N)=O BB12-1307 [0,1,0,0,0,0|1,0,0]=2 16 B5R1.2 O=C1CNC1 BB20-3400 [0,0,0,1,0,0|1,0,0]=2 17 B4R0.2 CSCCCl BB53-1396 [1,1,0,0,0,0|1,0,0]=3 18 B4R0.2 CSCCN BB12-0970 [1,1,0,0,0,0|1,0,0]=3 19 B6R0.1 C#CC(=O)OCC BB53-1426 [0,2,0,0,0,0|0,0,1]=3 20 B6R0.1 CC(CN)CCN BB12-1906 [0,2,0,0,0,0|1,0,1]=4 21 B6R0.1 CCC\C(N)=N\O BB10-0037 [0,2,0,0,0,0|1,0,1]=4 22 B6R0.1 CCNC(=S)NN BB12-3098 [0,2,0,0,0,0|1,1,0]=4 23 B6R0.1 CCNC(C)CO BB12-1659 [0,2,0,0,0,0|0,0,2]=4 24 B6R0.1 CC[C@H](N)COC BB20-3253 [0,2,0,0,0,0|1,0,1]=4 25 B6R0.1 CNC(=O)CC#N BB12-1423 [0,2,0,0,0,0|0,0,1]=3 26 B6R0.1 CNC(=O)CCCl BB12-1619 [0,2,0,0,0,0|0,0,0]=2 27 B6R0.1 CNC(=O)CCN BB12-1715 [0,2,0,0,0,0|0,0,0]=2 28 B6R0.1 CNC(=O)CCO BB12-3660 [0,2,0,0,0,0|0,0,0]=2 29 B6R0.1 CNC(C)CCO BB12-1373 [0,2,0,0,0,0|1,0,1]=4 30 B6R0.1 CNCC(=O)NN BB12-1497 [0,2,0,0,0,0|1,0,0]=3 31 B6R0.1 COC(=O)CCN BB12-2761 [0,2,0,0,0,0|0,0,0]=2 32 B6R0.1 COC(=O)CCO BB12-1300 [0,2,0,0,0,0|0,0,0]=2 33 B6R0.1 COC\C(N)=N\O BB20-4328 [0,2,0,0,0,0|1,0,1]=4 34 B6R0.1 CSC\C(N)=N\O BB12-3469 [0,2,0,0,0,0|1,0,1]=4 35 B6R0.1 N\C(CCO)=N/O BB12-3471 [0,2,0,0,0,0|1,0,1]=4 36 B6R0.2 CC(=O)NC(=N)N BB56-2578 [0,2,0,0,0,0|1,0,1]=4 37 B6R0.2 CC(N)CC(=O)O BB12-2890 [0,2,0,0,0,0|1,0,0]=3 38 B6R0.3 CC(C)C(=O)NN BB12-1583 [0,2,0,0,0,0|1,0,0]=3 39 B6R0.3 CC(C)\C(N)=N\O BB53-1938 [0,2,0,0,0,0|1,0,1]=4 40 B6R0.3 CC(CN)N(C)C BB12-3256 [0,2,0,0,0,0|2,0,0]=4 41 B6R0.3 CC(CO)[N+](=O)[O-] BB12-1675 [0,2,0,0,0,0|1,0,1]=4 42 B6R0.3 CN(C)C(=O)CO BB12-3698 [0,2,0,0,0,0|1,0,0]=3 43 B6R0.3 CN(C)C(=O)NN BB12-2766 [0,2,0,0,0,0|2,0,0]=4 44 B6R0.3 CNC(=O)C(C)Br BB12-1295 [0,2,0,0,0,0|0,0,0]=2 45 B6R0.3 COC(=N)C(C)C BB12-3132 [0,2,0,0,0,0|1,0,0]=3 46 B6R0.3 COC(=O)N(C)N BB12-2783 [0,2,0,0,0,0|1,0,0]=3 47 B6R0.3 CSC(C)C(=O)O BB12-2671 [0,2,0,0,0,0|1,0,0]=3 48 B6R0.4 CC(C)SCCCl BB53-1373 [0,2,0,0,0,0|1,0,1]=4 49 B6R0.4 CC(C)SCCN BB53-1544 [0,2,0,0,0,0|1,0,1]=4 50 B6R0.4 CC(C)SCCO BB53-1392 [0,2,0,0,0,0|1,0,1]=4 51 B6R0.4 CCNCC(C)O BB12-1676 [0,2,0,0,0,0|0,0,2]=4 52 B6R0.4 CCSCC(=O)O BB12-3264 [0,2,0,0,0,0|1,0,0]=3 53 B6R0.4 CNCCC(=O)O BB12-1452 [0,2,0,0,0,0|1,0,0]=3 54 B6R0.4 COCCC(=O)Cl BB20-1617 [0,2,0,0,0,0|1,0,0]=3 55 B6R0.4 CSCCC(=N)N BB12-3715 [0,2,0,0,0,0|2,0,0]=4 56 B6R0.4 [C-]#[N+]CCN(C)C BB56-1617 [0,2,0,0,0,0|2,0,0]=4 57 B6R0.5 COCC(C)(C)N BB53-1697 [0,2,0,0,0,0|1,0,1]=4 58 B6R0.5 CS(=O)(=O)CCN BB53-1620 [0,2,0,0,0,0|1,0,0]=3 59 B6R0.5 CS(=O)(=O)CCO BB53-1360 [0,2,0,0,0,0|1,0,0]=3 60 B6R0.8 CCC(C)(N)CO BB56-2220 [0,2,0,0,0,0|0,0,2]=4 61 B6R0.9 CCC(C#N)NC BB12-1702 [0,2,0,0,0,0|1,0,1]=4 62 B6R1.2 O[C@@H]1CCNC1 BB12-3487 [0,1,0,1,0,0|0,0,2]=4 63 B6R1.11 N=C(N)C1CC1 BB53-1675 [0,1,0,1,0,0|2,0,0]=4 64 B6R1.11 NC(=S)C1CC1 BB12-3485 [0,1,0,1,0,0|1,1,0]=4 65 B6R1.6 NCC1CCC1 BB12-1679 [0,1,0,1,0,0|1,0,1]=4