0 B5R0.5 CC(C)C(=N)N BB20-1445 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.5 CC(Cl)C(N)=O BB12-1307 [0,0,0,0,0,0|2,1,1]=4 2 B5R0.5 CC(O)C(=N)N BB58-0260 [0,0,0,0,0,0|2,1,1]=4 3 B5R0.5 CN(C)C(=N)N BB58-1392 [0,0,0,0,0,0|3,0,1]=4 4 B4R0.1 CC(C)NN BB54-0473 [1,0,0,0,0,0|2,0,0]=3 5 B4R0.1 CC(N)CO BB01-7506 [1,0,0,0,0,0|1,1,0]=3 6 B4R0.1 CCC(=N)N BB54-4123 [1,0,0,0,0,0|2,0,1]=4 7 B4R0.1 C[C@H](N)CO BB20-1224 [1,0,0,0,0,0|1,1,0]=3 8 B6R0.3 CC(C#N)N(C)C BB57-2435 [0,1,0,0,0,0|2,0,0]=3 9 B6R0.3 CC(C)C(=N)NN BB58-0378 [0,1,0,0,0,0|2,0,1]=4 10 B6R0.3 CC(C)C(=O)NN BB12-1583 [0,1,0,0,0,0|1,1,1]=4 11 B6R0.3 CC(C)C(N)CO BB01-7497 [0,1,0,0,0,0|1,0,0]=2 12 B6R0.3 CC(C)C(O)C#N BB57-3716 [0,1,0,0,0,0|0,1,1]=3 13 B6R0.3 CC(C)C(O)CN BB58-1333 [0,1,0,0,0,0|0,1,0]=2 14 B6R0.3 CC(C)\C(N)=N\O BB53-1938 [0,1,0,0,0,0|1,1,1]=4 15 B6R0.3 CC(CN)N(C)C BB12-3256 [0,1,0,0,0,0|2,0,0]=3 16 B6R0.3 CC(CO)[N+](=O)[O-] BB12-1675 [0,1,0,0,0,0|2,1,0]=4 17 B6R0.3 CN(C)C(=O)CBr BB57-2931 [0,1,0,0,0,0|1,1,1]=4 18 B6R0.3 CN(C)C(=O)CO BB12-3698 [0,1,0,0,0,0|1,1,1]=4 19 B6R0.3 CNC(=O)C(C)Br BB12-1295 [0,1,0,0,0,0|1,1,1]=4 20 B6R0.3 CNC(=O)C(C)Cl BB55-4738 [0,1,0,0,0,0|1,1,1]=4 21 B6R0.3 CNC(=O)[C@@H](C)N BB32-0279 [0,1,0,0,0,0|1,1,1]=4 22 B6R0.3 CNC(C)C(=O)O BB57-2982 [0,1,0,0,0,0|1,1,1]=4 23 B6R0.3 COC(=N)C(C)C BB12-3132 [0,1,0,0,0,0|1,0,1]=3 24 B6R0.3 COC(C)C(=O)O BB57-2927 [0,1,0,0,0,0|1,1,1]=4 25 B6R0.3 CSC(C)C(=O)O BB12-2671 [0,1,0,0,0,0|1,1,1]=4 26 B6R0.7 CC(=O)C(C)(C)N BB54-1822 [0,1,0,0,0,0|0,1,1]=3 27 B6R0.7 CC(C)(Br)C(N)=O BB55-8836 [0,1,0,0,0,0|1,1,1]=4 28 B6R0.7 CC(C)(N)C(N)=O BB57-1099 [0,1,0,0,0,0|1,1,1]=4 29 B6R0.7 CC(C)C(C)(C)N BB58-0627 [0,1,0,0,0,0|1,0,0]=2 30 B6R0.7 CC(N)C(C)(C)C BB55-1061 [0,1,0,0,0,0|1,0,0]=2 31 B6R1.11 CC(N)C1CC1 BB05-4551 [0,0,0,1,0,0|1,0,0]=2 32 B6R1.11 CC(N)C1CC1 BB55-7032 [0,0,0,1,0,0|1,0,0]=2 33 B6R1.11 N=C(N)C1CC1 BB53-1675 [0,0,0,1,0,0|2,0,1]=4 34 B6R1.11 NC(=S)C1CC1 BB12-3485 [0,0,0,1,0,0|1,0,2]=4 35 B6R0.2 CC(C)NC(N)=O BB01-7616 [0,0,0,0,0,1|1,1,1]=4 36 B6R0.2 CC(N)CC(C)O BB58-3424 [0,0,0,0,0,1|1,1,0]=3 37 B3R0.1 CNOC BB01-7679 [2,0,0,0,0,0|2,0,0]=4 38 B3R0.1 [C-]#[N+]CC BB56-1802 [2,0,0,0,0,0|1,0,1]=4 39 B5R0.1 CC(N)CCO BB57-1076 [1,1,0,0,0,0|1,0,0]=3 40 B5R0.1 CC(O)CNN BB58-3435 [1,1,0,0,0,0|1,1,0]=4 41 B5R0.1 CCOC(C)=N BB12-3674 [1,1,0,0,0,0|1,0,1]=4 42 B5R0.1 CNCC(C)=O BB12-3010 [1,1,0,0,0,0|0,1,1]=4 43 B5R0.1 CNCC(C)O BB12-1288 [1,1,0,0,0,0|0,1,0]=3 44 B5R0.1 CS(=O)CCN BB55-5915 [1,1,0,0,0,0|1,1,0]=4 45 B5R0.3 CC(C#N)CCl BB01-7479 [1,1,0,0,0,0|1,0,1]=4 46 B5R0.3 CC(CN)CO BB57-2245 [1,1,0,0,0,0|0,1,0]=3 47 B5R0.3 CCC(C)NC BB53-1672 [1,1,0,0,0,0|0,0,0]=2 48 B5R0.3 CNC(C)CO BB12-1570 [1,1,0,0,0,0|0,1,0]=3 49 B5R0.3 COC(C)C#N BB57-3722 [1,1,0,0,0,0|1,0,1]=4 50 B5R0.3 COC(C)CN BB55-4647 [1,1,0,0,0,0|1,0,0]=3 51 B5R0.3 [C-]#[N+]C(C)CC BB56-1204 [1,1,0,0,0,0|0,0,1]=3 52 B5R0.4 C#CC(C)(C)N BB54-0057 [1,1,0,0,0,0|0,0,2]=4 53 B5R0.4 CC(C)(C)NN BB01-7814 [1,1,0,0,0,0|2,0,0]=4 54 B5R0.4 CC(C)(N)C#N BB55-6333 [1,1,0,0,0,0|1,0,1]=4 55 B5R0.4 CC(C)(N)CO BB17-0635 [1,1,0,0,0,0|0,1,0]=3 56 B5R0.4 CC(C)(O)CBr BB58-5360 [1,1,0,0,0,0|1,0,0]=3 57 B7R0.2 CC(C#N)CN(C)C BB12-1399 [0,1,0,0,0,1|2,0,0]=4 58 B7R0.2 CC(C)CC(O)CN BB58-4053 [0,1,0,0,0,1|0,1,0]=3 59 B7R0.2 CC(C)NC(=O)CBr BB57-1138 [0,1,0,0,0,1|0,1,1]=4 60 B7R0.2 CC(CO)CN(C)C BB12-3644 [0,1,0,0,0,1|1,1,0]=4 61 B7R0.2 CN(C)CC(O)CN BB57-3763 [0,1,0,0,0,1|1,1,0]=4 62 B7R0.9 CN(C)CC(C)(C)N BB12-1286 [0,1,0,0,0,1|2,0,0]=4 63 B7R0.16 CC(Br)C(=O)N(C)C BB58-3438 [0,1,0,0,0,1|2,0,0]=4 64 B7R0.16 CC(C)C(N)C(C)C BB58-0206 [0,1,0,0,0,1|1,0,0]=3 65 B7R0.16 CC(Cl)C(=O)N(C)C BB57-0817 [0,1,0,0,0,1|2,0,0]=4 66 B7R0.16 CC(N)C(=O)N(C)C BB12-3610 [0,1,0,0,0,1|2,0,0]=4 67 B7R0.5 CC(CCN)N(C)C BB12-1370 [0,2,0,0,0,0|2,0,0]=4 68 B7R0.5 CC(CCO)N(C)C BB12-3646 [0,2,0,0,0,0|1,1,0]=4 69 B7R0.5 CCOC(=N)C(C)C BB57-3768 [0,2,0,0,0,0|1,0,1]=4 70 B7R0.10 CNC(=O)C(C)NC BB12-3606 [0,2,0,0,0,0|0,1,1]=4 71 B7R0.10 CNC(C)C(=O)OC BB57-2496 [0,2,0,0,0,0|0,1,1]=4 72 B7R0.13 CN(C)C(C)(C)CN BB91-0103 [0,2,0,0,0,0|2,0,0]=4 73 B7R0.13 CN(C)C(C)(C)CO BB58-0203 [0,2,0,0,0,0|1,1,0]=4 74 B7R0.14 CC(C)(C)C(=O)CN BB12-1271 [0,2,0,0,0,0|0,1,1]=4 75 B7R0.14 CC(C)(C)C(O)C#N BB58-4056 [0,2,0,0,0,0|0,1,1]=4 76 B7R0.14 CC(C)(C)C(O)CN BB58-4055 [0,2,0,0,0,0|0,1,0]=3 77 B7R0.14 CC(C)(O)C(O)CN BB58-0361 [0,2,0,0,0,0|0,1,0]=3 78 B7R0.14 CNC(=O)C(C)(C)N BB57-2984 [0,2,0,0,0,0|0,1,1]=4 79 B7R0.15 CCC(CC)N(C)C BB12-3678 [0,2,0,0,0,0|2,0,0]=4 80 B7R0.15 CCC(CN)N(C)C BB12-3590 [0,2,0,0,0,0|2,0,0]=4 81 B7R0.15 CCC(CO)N(C)C BB12-3597 [0,2,0,0,0,0|1,1,0]=4 82 B7R0.17 CC(C)(C)C(C)(C)N BB58-0628 [0,2,0,0,0,0|1,0,0]=3 83 B5R1.3 FCC1CO1 BB57-4956 [1,0,0,1,0,0|1,1,0]=4 84 B5R1.5 CC1(N)CC1 BB58-0060 [1,0,0,1,0,0|1,0,0]=3 85 B7R1.2 CN1CC[C@@H](N)C1 BB32-2166 [0,0,0,1,0,1|2,0,0]=4 86 B7R1.4 N[C@@H]1CSC[C@H]1O BB54-3348 [0,1,0,1,0,0|1,1,0]=4 87 B7R1.19 CC(C)C1(N)CC1 BB58-3777 [0,1,0,1,0,0|1,0,0]=3 88 B7R1.22 CCC(N)C1CC1 BB57-2148 [0,1,0,1,0,0|1,0,0]=3 89 B7R1.22 N[C@H](CO)C1CC1 BB32-0741 [0,1,0,1,0,0|1,0,0]=3 90 B7R1.22 O=C(CBr)C1CC1 BB55-6968 [0,1,0,1,0,0|0,1,1]=4 91 B7R1.22 OC(CBr)C1CC1 BB58-0634 [0,1,0,1,0,0|0,1,0]=3 92 B7R1.23 CC1(C)CC1CO BB31-7326 [0,1,0,1,0,0|0,1,0]=3 93 B7R1.26 CC(C)(N)C1CC1 BB58-0629 [0,1,0,1,0,0|1,0,0]=3 94 B7R0.6 CC(C)CNC(C)C BB12-1371 [0,0,0,0,0,2|1,0,0]=3 95 B7R0.6 CC(N)CCN(C)C BB57-2247 [0,0,0,0,0,2|2,0,0]=4 96 B7R0.6 CC(O)CNC(C)C BB58-2123 [0,0,0,0,0,2|0,1,0]=3