0 B5R0.5 CC(=O)C(N)=O BB32-3571 [0,0,0,0,0,0|1,0,2]=3 1 B4R0.1 C#C[C@H](C)N BB31-2680 [1,0,0,0,0,0|1,0,2]=4 2 B4R0.1 CC(N)C#N BB31-5240 [1,0,0,0,0,0|2,0,1]=4 3 B4R0.1 OCC(Cl)Cl BB31-5600 [1,0,0,0,0,0|2,0,1]=4 4 B6R0.3 C=C[C@H](N)C(=O)O BB31-5208 [0,1,0,0,0,0|2,0,1]=4 5 B6R0.3 CC(C#N)C(=O)O BB32-3033 [0,1,0,0,0,0|2,0,0]=3 6 B6R0.3 CC[C@@H](C)C(=O)O BB31-4656 [0,1,0,0,0,0|2,0,0]=3 7 B6R0.3 CC[C@@H](O)C(=O)O BB31-3920 [0,1,0,0,0,0|1,0,0]=2 8 B6R0.3 CN(C)C(=O)CI BB31-8712 [0,1,0,0,0,0|2,0,0]=3 9 B6R0.3 NC[C@@H](N)C(=O)O BB31-4003 [0,1,0,0,0,0|2,0,0]=3 10 B6R1.11 O=C(O)C1CO1 BB31-6282 [0,0,0,1,0,0|1,0,0]=2 11 B6R1.11 O=C([O-])[C@H]1CO1 BB31-6739 [0,0,0,1,0,0|1,0,0]=2 12 B6R0.2 CC(C)C[N+](=O)[O-] BB32-3569 [0,0,0,0,0,1|3,0,0]=4 13 B5R0.1 CC(=O)CCBr BB31-4479 [1,1,0,0,0,0|0,0,0]=2 14 B5R0.1 CC(O)CCBr BB32-3029 [1,1,0,0,0,0|0,0,1]=3 15 B5R0.1 COCC(C)Br BB31-8127 [1,1,0,0,0,0|1,0,1]=4 16 B5R0.1 COCC(N)=O BB31-3207 [1,1,0,0,0,0|1,0,0]=3 17 B5R0.1 O=C(O)CCF BB32-2513 [1,1,0,0,0,0|1,0,0]=3 18 B5R0.3 C=C[C@H](N)CO BB32-0951 [1,1,0,0,0,0|1,0,1]=4 19 B5R0.3 CC(CO)CBr BB31-7772 [1,1,0,0,0,0|1,0,1]=4 20 B5R0.3 CCC(=O)CN BB31-8248 [1,1,0,0,0,0|0,0,0]=2 21 B5R0.3 CO[C@@H](C)CO BB31-0453 [1,1,0,0,0,0|1,0,0]=3 22 B5R0.3 NCC(O)CCl BB31-4889 [1,1,0,0,0,0|1,0,1]=4 23 B5R0.3 O=C[C@H](O)CO BB31-6122 [1,1,0,0,0,0|0,0,0]=2 24 B7R0.2 CCC(N)CC(=O)O BB31-5235 [0,1,0,0,0,1|2,0,0]=4 25 B7R0.2 CC[C@H](N)CC(=O)O BB31-2771 [0,1,0,0,0,1|2,0,0]=4 26 B7R0.9 CC(O)CC(C)(C)C BB31-5872 [0,1,0,0,0,1|1,0,1]=4 27 B7R0.16 CC(C)C(C)C(=O)O BB31-8342 [0,1,0,0,0,1|2,0,0]=4 28 B7R0.5 CC(C)C(C)CCO BB31-7531 [0,2,0,0,0,0|1,0,1]=4 29 B7R0.5 CC(CCO)C(N)=O BB31-7816 [0,2,0,0,0,0|1,0,0]=3 30 B7R0.5 NCCC(F)C(=O)O BB31-4428 [0,2,0,0,0,0|2,0,0]=4 31 B7R0.10 COC(=O)C(C)CN BB31-6417 [0,2,0,0,0,0|1,0,0]=3 32 B7R0.10 COC(=O)[C@@H](C)CBr BB31-6195 [0,2,0,0,0,0|1,0,0]=3 33 B7R0.10 C\C=C(/Br)C(=O)OC BB31-3618 [0,2,0,0,0,0|1,0,1]=4 34 B7R0.10 O[C@H](CCl)[C@@H](O)CCl BB31-6193 [0,2,0,0,0,0|0,0,2]=4 35 B7R0.13 CC(=O)C(C)(C)CO BB32-0806 [0,2,0,0,0,0|0,0,0]=2 36 B7R0.13 CC(C)(CN)C(=O)O BB31-3976 [0,2,0,0,0,0|2,0,0]=4 37 B7R0.13 CC(C)(CN)C(=O)O BB31-5761 [0,2,0,0,0,0|2,0,0]=4 38 B7R0.13 C[C@@](N)(CO)C(=O)O BB31-6838 [0,2,0,0,0,0|1,0,0]=3 39 B7R0.13 NCC(F)(F)C(=O)O BB31-0714 [0,2,0,0,0,0|2,0,0]=4 40 B7R0.13 NCC(F)(F)C(=O)O BB32-1782 [0,2,0,0,0,0|2,0,0]=4 41 B7R0.14 CC(C)(C)C(=O)CO BB32-2137 [0,2,0,0,0,0|1,0,0]=3 42 B7R0.14 CC(C)(O)[C@H](F)CN BB32-0764 [0,2,0,0,0,0|1,0,1]=4 43 B7R0.15 CCN(N=O)C(C)C BB32-0816 [0,2,0,0,0,0|2,0,0]=4 44 B7R0.15 CN[C@@H](CO)C(=O)O BB31-9937 [0,2,0,0,0,0|1,0,0]=3 45 B7R0.15 NC[C@H](CO)C(=O)O BB31-2226 [0,2,0,0,0,0|1,0,0]=3 46 B5R1.2 CC1CCN1 BB31-0642 [1,0,0,1,0,0|1,0,1]=4 47 B7R1.2 C[C@@H]1CCC(=O)N1 BB31-7724 [0,0,0,1,0,1|1,0,0]=3 48 B7R1.2 C[C@H]1CCC(=O)N1 BB31-2966 [0,0,0,1,0,1|1,0,0]=3 49 B7R1.2 NC1=CC(=O)CC1 BB31-4485 [0,0,0,1,0,1|1,0,1]=4 50 B7R1.2 NC1CCC(O)C1 BB31-2061 [0,0,0,1,0,1|1,0,1]=4 51 B7R1.2 N[C@@H]1CC[C@@H](O)C1 BB31-1056 [0,0,0,1,0,1|1,0,1]=4 52 B7R1.2 N[C@H]1CC[C@H](O)C1 BB31-4650 [0,0,0,1,0,1|1,0,1]=4 53 B7R1.2 N[C@H]1CC[C@H](O)C1 BB31-5100 [0,0,0,1,0,1|1,0,1]=4 54 B7R1.2 N[C@H]1CNC(=O)C1 BB31-3703 [0,0,0,1,0,1|2,0,0]=4 55 B7R1.2 O=C1C=CC(O)O1 BB31-2490 [0,0,0,1,0,1|0,0,2]=4 56 B7R1.2 O=C1CC(O)CO1 BB31-5337 [0,0,0,1,0,1|1,0,0]=3 57 B7R1.2 O=C1CCC(O)C1 BB31-4994 [0,0,0,1,0,1|0,0,0]=2 58 B7R1.12 C[C@@H]1C[C@H]1C(=O)O BB32-3490 [0,0,0,1,0,1|2,0,0]=4 59 B7R1.12 C[C@H]1C[C@@H]1C(=O)O BB32-0696 [0,0,0,1,0,1|2,0,0]=4 60 B7R1.12 O=C(O)[C@@H]1C[C@H]1F BB31-3334 [0,0,0,1,0,1|2,0,0]=4 61 B7R1.16 CC1(C)CC(=O)N1 BB32-2836 [0,0,0,1,0,1|1,0,0]=3 62 B7R1.16 C[C@]1(N)C[C@H](O)C1 BB31-2494 [0,0,0,1,0,1|1,0,1]=4 63 B7R1.16 O=C1CC(F)(F)C1 BB31-1782 [0,0,0,1,0,1|2,0,0]=4 64 B7R1.16 O=S1(=O)CC(O)C1 BB31-7627 [0,0,0,1,0,1|2,0,0]=4 65 B7R1.4 CC1=C(C)OC=N1 BB31-4084 [0,1,0,1,0,0|1,0,1]=4 66 B7R1.4 NC1CCNC1=O BB31-0754 [0,1,0,1,0,0|1,0,0]=3 67 B7R1.4 NC1CCOC1=O BB52-6516 [0,1,0,1,0,0|1,0,0]=3 68 B7R1.4 N[C@@H]1COC[C@@H]1O BB32-0460 [0,1,0,1,0,0|1,0,1]=4 69 B7R1.4 N[C@@H]1COC[C@H]1O BB31-5283 [0,1,0,1,0,0|1,0,1]=4 70 B7R1.4 N[C@@H]1COC[C@H]1O BB32-1570 [0,1,0,1,0,0|1,0,1]=4 71 B7R1.4 N[C@H]1COC[C@@H]1O BB31-3986 [0,1,0,1,0,0|1,0,1]=4 72 B7R1.4 N[C@H]1COC[C@@H]1O BB32-1041 [0,1,0,1,0,0|1,0,1]=4 73 B7R1.4 O[C@H]1CNC[C@@H]1F BB31-3989 [0,1,0,1,0,0|1,0,1]=4 74 B7R1.18 CC(=O)N1CCC1 BB32-2755 [0,1,0,1,0,0|2,0,0]=4 75 B7R1.18 CC(O)C1CNC1 BB31-4088 [0,1,0,1,0,0|1,0,1]=4 76 B7R1.18 NC(=O)C1CNC1 BB31-1092 [0,1,0,1,0,0|2,0,0]=4 77 B7R1.18 O=C(O)C1COC1 BB31-0382 [0,1,0,1,0,0|1,0,0]=3 78 B7R1.19 CC1(C(N)=O)CC1 BB31-3052 [0,1,0,1,0,0|2,0,0]=4 79 B7R1.19 O=C(O)C1(Br)CC1 BB31-8489 [0,1,0,1,0,0|2,0,0]=4 80 B7R1.22 CCC(O)C1CC1 BB32-0693 [0,1,0,1,0,0|1,0,1]=4 81 B7R0.6 CC(=O)NCC(C)O BB31-7690 [0,0,0,0,0,2|0,0,0]=2 82 B7R0.6 CC(=O)NNC(C)C BB32-2318 [0,0,0,0,0,2|1,0,0]=3 83 B7R0.6 CC(=O)\C=C\C(=O)O BB31-4699 [0,0,0,0,0,2|1,0,1]=4 84 B7R0.6 CC(N)CCC(=O)O BB31-2419 [0,0,0,0,0,2|2,0,0]=4 85 B7R0.6 CC(O)CCC(=O)[O-] BB31-5329 [0,0,0,0,0,2|1,0,0]=3