0 B6R0.3 CC(C)C(N)CO BB01-7497 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.3 CC(CO)[N+](=O)[O-] BB12-1675 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.3 CC(O)\C(N)=N\O BB57-3710 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.3 CCC(Br)C(N)=O BB55-8830 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.3 CNC(C)C(=O)O BB57-2982 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.3 COC(C)C(=O)O BB57-2927 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.3 CSC(C)C(=O)O BB12-2671 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.3 N#CC(N)C(N)=O BB54-0378 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.3 NC(=O)\C(N)=N\O BB12-3387 [0,0,0,0,0,0|2,0,1]=3 9 B6R0.3 NC(CCl)C(=O)O BB57-2456 [0,0,0,0,0,0|1,0,0]=1 10 B6R0.3 O=C(O)C(O)CCl BB57-6579 [0,0,0,0,0,0|2,0,0]=2 11 B5R0.1 CC(=O)CC#N BB54-5411 [1,0,0,0,0,0|2,0,1]=4 12 B5R0.1 CC(N)CCO BB57-1076 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.1 CNCC(C)=O BB12-3010 [1,0,0,0,0,0|3,0,0]=4 14 B5R0.1 CS(=O)CCN BB55-5915 [1,0,0,0,0,0|3,0,0]=4 15 B5R0.1 NC(=O)CCO BB58-1090 [1,0,0,0,0,0|1,0,0]=2 16 B5R0.3 CC(CN)CO BB57-2245 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.3 CC\C(N)=N\O BB12-3467 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.3 CNC(C)CO BB12-1570 [1,0,0,0,0,0|3,0,0]=4 19 B5R0.3 N\C(CCl)=N/O BB57-3706 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.3 N\C(CO)=N\O BB57-2423 [1,0,0,0,0,0|1,0,1]=3 21 B5R0.5 CC(C)C(=N)N BB20-1445 [1,0,0,0,0,0|3,0,0]=4 22 B5R0.5 CC(Cl)C(N)=O BB12-1307 [1,0,0,0,0,0|2,0,0]=3 23 B5R0.5 CC(O)C(=N)N BB58-0260 [1,0,0,0,0,0|3,0,0]=4 24 B7R0.5 CC(=O)N(C)CCO BB55-7164 [0,1,0,0,0,0|3,0,0]=4 25 B7R0.5 CC(NC=O)C(=O)O BB12-1345 [0,1,0,0,0,0|1,0,2]=4 26 B7R0.5 CCNC(=O)C(=O)O BB57-2473 [0,1,0,0,0,0|2,0,1]=4 27 B7R0.5 CCSC(C)C(=O)O BB12-3261 [0,1,0,0,0,0|2,0,0]=3 28 B7R0.5 CNCC(C)C(=O)O BB12-1637 [0,1,0,0,0,0|2,0,0]=3 29 B7R0.10 CC(=N/O)\C(N)=N\O BB55-4954 [0,1,0,0,0,0|2,0,1]=4 30 B7R0.10 CCC(C)C(=O)NN BB55-8843 [0,1,0,0,0,0|3,0,0]=4 31 B7R0.10 CCC(N)C(=O)NO BB57-4144 [0,1,0,0,0,0|1,0,0]=2 32 B7R0.10 CNC(=O)\C(N)=N\O BB57-2408 [0,1,0,0,0,0|2,0,1]=4 33 B7R0.10 CNC(C)C(=O)OC BB57-2496 [0,1,0,0,0,0|3,0,0]=4 34 B7R0.10 COC(=O)C(O)CCl BB57-4961 [0,1,0,0,0,0|2,0,0]=3 35 B7R0.10 COC(=O)\C(N)=N\O BB58-1318 [0,1,0,0,0,0|1,0,1]=3 36 B7R0.13 CC(C)(CO)[N+](=O)[O-] BB58-2134 [0,1,0,0,0,0|2,0,1]=4 37 B7R0.13 CCC(C)(N)C(=O)O BB56-0974 [0,1,0,0,0,0|1,0,0]=2 38 B7R0.13 COC(C)(C)C(=O)O BB57-1085 [0,1,0,0,0,0|3,0,0]=4 39 B7R0.15 CCC(CN)C(=O)O BB58-3841 [0,1,0,0,0,0|1,0,0]=2 40 B7R0.15 CCC(NC)C(=O)O BB57-2477 [0,1,0,0,0,0|1,0,0]=2 41 B7R0.15 CCC(NC)C(N)=O BB57-1806 [0,1,0,0,0,0|2,0,0]=3 42 B7R0.15 CCC(OC)C(=O)O BB57-2928 [0,1,0,0,0,0|2,0,0]=3 43 B7R0.16 CC(C(=O)O)C(=O)O BB20-4558 [0,1,0,0,0,0|1,0,1]=3 44 B7R0.16 CC(C(=O)O)N(C)C BB12-1429 [0,1,0,0,0,0|3,0,0]=4 45 B7R1.4 NC1CCCC1=O BB58-3328 [0,0,0,1,0,0|2,0,0]=3 46 B7R1.4 NC1CCNC1=O BB12-2184 [0,0,0,1,0,0|2,0,0]=3 47 B7R1.4 N[C@@H]1CSC[C@H]1O BB54-3348 [0,0,0,1,0,0|1,1,1]=4 48 B7R1.12 O=C(O)[C@H]1C[C@@H]1F BB31-3333 [0,0,0,1,0,0|2,0,0]=3 49 B7R1.18 NC(=O)C1CCC1 BB12-3033 [0,0,0,1,0,0|3,0,0]=4 50 B7R1.18 O=C(O)C1CCN1 BB57-4884 [0,0,0,1,0,0|1,0,0]=2 51 B7R1.18 O=C(O)C1CCO1 BB31-4760 [0,0,0,1,0,0|2,0,0]=3 52 B7R1.19 NC(=O)C1(N)CC1 BB58-3762 [0,0,0,1,0,0|2,0,0]=3 53 B7R1.22 N[C@H](CO)C1CC1 BB32-0741 [0,0,0,1,0,0|2,0,1]=4 54 B7R0.2 CCC(C)NC(N)=O BB01-7615 [0,0,0,0,0,1|3,0,0]=4 55 B7R0.2 CCN(C)CC(=O)O BB12-1321 [0,0,0,0,0,1|3,0,0]=4 56 B7R0.2 CNC(C)CC(=O)O BB12-1285 [0,0,0,0,0,1|3,0,0]=4 57 B4R0.1 CC(N)CO BB01-7506 [2,0,0,0,0,0|0,0,1]=3 58 B4R0.1 CCC(=N)N BB54-4123 [2,0,0,0,0,0|2,0,0]=4 59 B4R0.1 C[C@H](N)CO BB20-1224 [2,0,0,0,0,0|0,0,1]=3 60 B4R0.1 C\C(N)=N\O BB53-1937 [2,0,0,0,0,0|1,0,1]=4 61 B4R0.1 NC(=S)CO BB58-2954 [2,0,0,0,0,0|0,1,1]=4 62 B6R0.1 CCC\C(N)=N\O BB10-0037 [1,1,0,0,0,0|2,0,0]=4 63 B6R0.1 CNC(=O)CCCl BB12-1619 [1,1,0,0,0,0|2,0,0]=4 64 B6R0.1 CNC(=O)CCN BB12-1715 [1,1,0,0,0,0|2,0,0]=4 65 B6R0.1 CNC(=O)CCO BB12-3660 [1,1,0,0,0,0|1,0,0]=3 66 B6R0.1 COC(=O)CCN BB12-2761 [1,1,0,0,0,0|1,0,0]=3 67 B6R0.1 COC(=O)CCO BB12-1300 [1,1,0,0,0,0|0,0,0]=2 68 B6R0.1 N\C(CCO)=N/O BB12-3471 [1,1,0,0,0,0|1,0,0]=3 69 B6R0.2 CC(N)CC(=O)O BB12-2890 [1,1,0,0,0,0|1,0,0]=3 70 B6R0.2 NC(=O)CC(=O)O BB55-4726 [1,1,0,0,0,0|0,0,2]=4 71 B6R0.2 O=C(O)CC(F)F BB31-2950 [1,1,0,0,0,0|1,0,0]=3 72 B6R0.4 CCCNC(N)=O BB01-7603 [1,1,0,0,0,0|2,0,0]=4 73 B6R0.4 CCOCC(=O)Cl BB01-8267 [1,1,0,0,0,0|2,0,0]=4 74 B6R0.4 CCSCC(=O)O BB12-3264 [1,1,0,0,0,0|1,0,0]=3 75 B6R0.4 CNCCC(=O)O BB12-1452 [1,1,0,0,0,0|1,0,0]=3 76 B6R0.4 COCCC(=O)Cl BB20-1617 [1,1,0,0,0,0|1,0,0]=3 77 B6R0.4 COCCC(C)=O BB58-1056 [1,1,0,0,0,0|1,0,0]=3 78 B6R0.4 NC(=O)CCCCl BB57-2489 [1,1,0,0,0,0|2,0,0]=4 79 B6R0.4 NCCCC(N)=O BB57-4725 [1,1,0,0,0,0|2,0,0]=4 80 B6R0.5 CS(=O)(=O)CCO BB53-1360 [1,1,0,0,0,0|1,0,1]=4 81 B6R0.8 C=CC(C)(C)CO BB57-4301 [1,1,0,0,0,0|2,0,0]=4 82 B6R0.8 CCC(C)(N)CO BB56-2220 [1,1,0,0,0,0|1,0,1]=4 83 B6R0.7 CC(=O)C(C)(C)N BB54-1822 [1,1,0,0,0,0|1,0,0]=3 84 B6R0.7 CC(C)(Br)C(N)=O BB55-8836 [1,1,0,0,0,0|2,0,0]=4 85 B6R0.7 CC(C)(N)C(N)=O BB57-1099 [1,1,0,0,0,0|1,0,0]=3 86 B8R0.5 CCCC(N)CC(=O)O BB12-1701 [0,1,0,0,0,1|1,0,0]=3 87 B8R0.5 CN(CCO)CC(=O)O BB12-1628 [0,1,0,0,0,1|2,0,0]=4 88 B8R0.23 CC(C)[C@H](N)CC(=O)O BB01-8380 [0,1,0,0,0,1|1,0,0]=3 89 B8R0.3 CCCC(N)C(=O)NC BB55-8840 [0,2,0,0,0,0|2,0,0]=4 90 B8R0.3 CCOC(=O)C(C)CN BB31-4039 [0,2,0,0,0,0|2,0,0]=4 91 B8R0.8 C=CCSC(C)C(=O)O BB12-3266 [0,2,0,0,0,0|2,0,0]=4 92 B8R0.8 CCCCC(N)C(C)=O BB54-3218 [0,2,0,0,0,0|2,0,0]=4 93 B8R0.8 CCCC[C@H](N)C(=O)O BB12-2277 [0,2,0,0,0,0|1,0,0]=3 94 B8R0.8 CCCOC(C)C(=O)O BB55-7871 [0,2,0,0,0,0|2,0,0]=4 95 B8R0.12 CCOC(C)(C)C(=O)O BB57-2291 [0,2,0,0,0,0|2,0,0]=4 96 B8R0.12 COCC(C)(C)C(=O)O BB58-3780 [0,2,0,0,0,0|1,0,0]=3 97 B8R0.15 CCCC(NC)C(=O)O BB57-2495 [0,2,0,0,0,0|1,0,0]=3 98 B8R0.13 CCC(C)(N)C(=O)OC BB56-0964 [0,2,0,0,0,0|1,0,0]=3 99 B8R0.20 CCC(NC)C(=O)OC BB57-2497 [0,2,0,0,0,0|1,0,0]=3 100 B8R0.37 CC(O)C(F)(F)C(=O)O BB58-4751 [0,2,0,0,0,0|1,0,0]=3 101 B8R0.18 CCC(C(=O)O)N(C)C BB12-3549 [0,2,0,0,0,0|1,0,0]=3 102 B8R0.18 CNC(C(=O)O)C(C)C BB57-2975 [0,2,0,0,0,0|1,0,0]=3 103 B8R1.1 CCC1COC(=O)N1 BB57-3665 [0,0,0,1,0,1|2,0,0]=4 104 B8R1.1 O=C1CC(CO)CN1 BB57-1047 [0,0,0,1,0,1|2,0,0]=4 105 B8R1.1 OCC1CC(O)CN1 BB54-3096 [0,0,0,1,0,1|1,0,1]=4 106 B8R1.34 O=C(O)CC1CCC1 BB55-4828 [0,0,0,1,0,1|2,0,0]=4 107 B8R1.5 NC1CCCCC1=O BB58-4091 [0,1,0,1,0,0|2,0,0]=4 108 B8R1.5 O=C1CCOCC1O BB17-2979 [0,1,0,1,0,0|2,0,0]=4 109 B8R1.5 O=C1OCCCC1Br BB17-3008 [0,1,0,1,0,0|2,0,0]=4 110 B8R1.7 NC(=O)[C@@H]1CCCN1 BB12-3488 [0,1,0,1,0,0|2,0,0]=4 111 B8R1.7 O=C(O)[C@H]1C=CCN1 BB32-2958 [0,1,0,1,0,0|1,0,1]=4 112 B8R1.23 O=C(O)C1CC(O)C1 BB58-2196 [0,1,0,1,0,0|1,0,0]=3 113 B8R1.78 NC1(C(=O)O)CCC1 BB57-1033 [0,1,0,1,0,0|1,0,0]=3 114 B8R1.11 CO[C@@H]1COC[C@H]1N BB58-2830 [0,1,0,1,0,0|1,0,1]=4 115 B8R1.38 COC(=O)C1CCC1 BB12-2967 [0,1,0,1,0,0|2,0,0]=4 116 B8R1.50 CN1CCC(N)C1=O BB58-3639 [0,1,0,1,0,0|2,0,0]=4 117 B8R1.63 NC(=O)C1(CO)CC1 BB58-1674 [0,1,0,1,0,0|2,0,0]=4 118 B8R1.63 NCC1(C(=O)O)CC1 BB58-3627 [0,1,0,1,0,0|1,0,0]=3 119 B8R1.63 NCC1(C(N)=O)CC1 BB58-3797 [0,1,0,1,0,0|2,0,0]=4 120 B8R1.63 O=C(O)C1(CO)CC1 BB58-3832 [0,1,0,1,0,0|1,0,0]=3 121 B8R0.9 CCC(N)CCC(=O)O BB57-2163 [0,0,0,0,0,2|1,0,0]=3