0 B6R0.3 C=C[C@H](N)C(=O)O BB31-5208 [0,0,0,0,0,0|1,0,1]=2 1 B6R0.3 CC(C#N)C(=O)O BB32-3033 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.3 CC[C@@H](C)C(=O)O BB31-4656 [0,0,0,0,0,0|2,0,0]=2 3 B6R0.3 CC[C@@H](O)C(=O)O BB31-3920 [0,0,0,0,0,0|2,0,0]=2 4 B6R0.3 NC[C@@H](N)C(=O)O BB31-4003 [0,0,0,0,0,0|1,0,0]=1 5 B5R0.1 CC(=O)CCBr BB31-4479 [1,0,0,0,0,0|2,0,0]=3 6 B5R0.1 CC(O)CCBr BB32-3029 [1,0,0,0,0,0|2,0,1]=4 7 B5R0.1 COCC(N)=O BB31-3207 [1,0,0,0,0,0|3,0,0]=4 8 B5R0.1 O=C(O)CCF BB32-2513 [1,0,0,0,0,0|1,0,0]=2 9 B5R0.1 O=C(O)\C=C\Br BB31-5400 [1,0,0,0,0,0|1,0,2]=4 10 B5R0.3 C=C[C@H](N)CO BB32-0951 [1,0,0,0,0,0|1,1,0]=3 11 B5R0.3 CC(CO)CBr BB31-7772 [1,0,0,0,0,0|2,0,1]=4 12 B5R0.3 O=C[C@H](O)CO BB31-6122 [1,0,0,0,0,0|1,1,0]=3 13 B5R0.5 CC(=O)C(N)=O BB32-3571 [1,0,0,0,0,0|1,1,1]=4 14 B7R0.5 CC(CCO)C(N)=O BB31-7816 [0,1,0,0,0,0|2,1,0]=4 15 B7R0.5 NCCC(F)C(=O)O BB31-4428 [0,1,0,0,0,0|2,0,0]=3 16 B7R0.10 COC(=O)C(C)CN BB31-6417 [0,1,0,0,0,0|2,0,0]=3 17 B7R0.10 COC(=O)[C@@H](C)CBr BB31-6195 [0,1,0,0,0,0|2,0,0]=3 18 B7R0.13 CC(=O)C(C)(C)CO BB32-0806 [0,1,0,0,0,0|2,1,0]=4 19 B7R0.13 CC(C)(CN)C(=O)O BB31-3976 [0,1,0,0,0,0|2,0,0]=3 20 B7R0.13 CC(C)(CN)C(=O)O BB31-5761 [0,1,0,0,0,0|2,0,0]=3 21 B7R0.13 C[C@@](N)(CO)C(=O)O BB31-6838 [0,1,0,0,0,0|0,1,0]=2 22 B7R0.13 NCC(F)(F)C(=O)O BB31-0714 [0,1,0,0,0,0|2,0,0]=3 23 B7R0.13 NCC(F)(F)C(=O)O BB32-1782 [0,1,0,0,0,0|2,0,0]=3 24 B7R0.15 CN[C@@H](CO)C(=O)O BB31-9937 [0,1,0,0,0,0|0,1,0]=2 25 B7R0.15 NC[C@H](CO)C(=O)O BB31-2226 [0,1,0,0,0,0|0,1,0]=2 26 B7R0.16 CC(C)C(C)C(=O)O BB31-8342 [0,1,0,0,0,0|2,0,0]=3 27 B7R1.4 NC1CCNC1=O BB31-0754 [0,0,0,1,0,0|2,0,0]=3 28 B7R1.4 NC1CCOC1=O BB52-6516 [0,0,0,1,0,0|1,0,0]=2 29 B7R1.4 N[C@@H]1COC[C@@H]1O BB32-0460 [0,0,0,1,0,0|1,1,1]=4 30 B7R1.4 N[C@@H]1COC[C@H]1O BB31-5283 [0,0,0,1,0,0|1,1,1]=4 31 B7R1.4 N[C@@H]1COC[C@H]1O BB32-1570 [0,0,0,1,0,0|1,1,1]=4 32 B7R1.4 N[C@H]1COC[C@@H]1O BB31-3986 [0,0,0,1,0,0|1,1,1]=4 33 B7R1.4 N[C@H]1COC[C@@H]1O BB32-1041 [0,0,0,1,0,0|1,1,1]=4 34 B7R1.12 C[C@@H]1C[C@H]1C(=O)O BB32-3490 [0,0,0,1,0,0|2,0,0]=3 35 B7R1.12 C[C@H]1C[C@@H]1C(=O)O BB32-0696 [0,0,0,1,0,0|2,0,0]=3 36 B7R1.12 O=C(O)[C@@H]1C[C@H]1F BB31-3334 [0,0,0,1,0,0|2,0,0]=3 37 B7R1.18 NC(=O)C1CNC1 BB31-1092 [0,0,0,1,0,0|3,0,0]=4 38 B7R1.18 O=C(O)C1=CCC1 BB32-1171 [0,0,0,1,0,0|2,0,1]=4 39 B7R1.18 O=C(O)C1COC1 BB31-0382 [0,0,0,1,0,0|1,1,0]=3 40 B7R1.19 CC1(C(N)=O)CC1 BB31-3052 [0,0,0,1,0,0|3,0,0]=4 41 B7R1.19 O=C(O)C1(Br)CC1 BB31-8489 [0,0,0,1,0,0|2,0,0]=3 42 B7R0.2 CCC(N)CC(=O)O BB31-5235 [0,0,0,0,0,1|1,0,0]=2 43 B7R0.2 CC[C@H](N)CC(=O)O BB31-2771 [0,0,0,0,0,1|1,0,0]=2 44 B4R0.1 C#C[C@H](C)N BB31-2680 [2,0,0,0,0,0|1,0,1]=4 45 B4R0.1 CC(N)C#N BB31-5240 [2,0,0,0,0,0|1,0,1]=4 46 B4R0.2 C=CCCI BB31-6880 [2,0,0,0,0,0|2,0,0]=4 47 B6R0.1 C#CCC(=O)OC BB32-1580 [1,1,0,0,0,0|1,0,1]=4 48 B6R0.1 CCCC(=O)CCl BB31-4027 [1,1,0,0,0,0|2,0,0]=4 49 B6R0.1 NNC(=O)CCO BB31-4269 [1,1,0,0,0,0|1,1,0]=4 50 B6R0.4 CC(=O)CCCBr BB31-6000 [1,1,0,0,0,0|2,0,0]=4 51 B6R0.4 NCCNC(N)=O BB32-3910 [1,1,0,0,0,0|2,0,0]=4 52 B8R0.5 CCC[C@H](N)CC(=O)O BB32-3503 [0,1,0,0,0,1|1,0,0]=3 53 B8R0.16 CCC(CC)CC(=O)O BB32-3031 [0,1,0,0,0,1|2,0,0]=4 54 B8R0.19 CC[C@H](O)CC(=O)OC BB31-5331 [0,1,0,0,0,1|2,0,0]=4 55 B8R0.19 COC(=O)N[C@@H](C)CN BB31-0922 [0,1,0,0,0,1|2,0,0]=4 56 B8R0.23 CC(C)[C@H](N)CC(=O)O BB31-7640 [0,1,0,0,0,1|1,0,0]=3 57 B8R0.8 C=CCC[C@H](N)C(=O)O BB31-7442 [0,2,0,0,0,0|1,0,0]=3 58 B8R0.12 C=CC[C@@](C)(N)C(=O)O BB31-5407 [0,2,0,0,0,0|1,0,0]=3 59 B8R0.12 C=CC[C@](C)(N)C(=O)O BB31-5427 [0,2,0,0,0,0|1,0,0]=3 60 B8R0.15 CCCC(CC)C(=O)O BB31-3760 [0,2,0,0,0,0|2,0,0]=4 61 B8R0.36 CCC(C)(CC)C(=O)O BB31-3894 [0,2,0,0,0,0|2,0,0]=4 62 B8R0.27 CC(C(=O)O)C(F)(F)F BB32-1822 [0,2,0,0,0,0|2,0,0]=4 63 B8R0.27 CC(C)(C)[C@@H](O)C(=O)O BB31-7670 [0,2,0,0,0,0|2,0,0]=4 64 B8R0.27 CC(C)(C)[C@H](O)C(=O)O BB31-5424 [0,2,0,0,0,0|2,0,0]=4 65 B8R0.27 CC(C)(O)[C@H](N)C(=O)O BB31-5147 [0,2,0,0,0,0|0,1,0]=3 66 B8R0.18 CC(C)[C@@H](CN)C(=O)O BB31-3788 [0,2,0,0,0,0|1,0,0]=3 67 B8R0.18 CC(C)[C@H](CN)C(=O)O BB31-1792 [0,2,0,0,0,0|1,0,0]=3 68 B6R1.2 OC1CCSC1 BB52-7751 [1,0,0,1,0,0|1,0,1]=4 69 B6R1.5 O=C1CC(O)C1 BB31-5120 [1,0,0,1,0,0|1,1,0]=4 70 B6R1.11 O=C(O)C1CO1 BB31-6282 [1,0,0,1,0,0|0,1,0]=3 71 B6R1.11 O=C([O-])[C@H]1CO1 BB31-6739 [1,0,0,1,0,0|0,1,1]=4 72 B6R1.6 O=CC1COC1 BB31-1651 [1,0,0,1,0,0|1,1,0]=4 73 B6R1.6 OC[C@@H]1CCN1 BB31-7982 [1,0,0,1,0,0|1,0,1]=4 74 B6R1.6 OC[C@H]1CCN1 BB31-4144 [1,0,0,1,0,0|1,0,1]=4 75 B8R1.1 O=C1N[C@@H](CI)CO1 BB31-2803 [0,0,0,1,0,1|2,0,0]=4 76 B8R1.1 O=C1N[C@H](CO)CO1 BB31-1953 [0,0,0,1,0,1|1,1,0]=4 77 B8R1.4 CC1CCOC(=O)O1 BB31-3403 [0,0,0,1,0,1|2,0,0]=4 78 B8R1.31 CC1CCC1C(=O)O BB31-4909 [0,0,0,1,0,1|2,0,0]=4 79 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O BB31-3568 [0,0,0,1,0,1|1,0,0]=3 80 B8R1.34 O=C(O)CC1COC1 BB31-1686 [0,0,0,1,0,1|1,1,0]=4 81 B8R1.5 NC1CCCCC1=O BB31-7416 [0,1,0,1,0,0|2,0,0]=4 82 B8R1.5 NC1CCCNC1=O BB52-8540 [0,1,0,1,0,0|2,0,0]=4 83 B8R1.7 NC(=O)[C@@H]1CCNC1 BB31-1778 [0,1,0,1,0,0|2,0,0]=4 84 B8R1.7 NC(=O)[C@H]1CCNC1 BB31-1805 [0,1,0,1,0,0|2,0,0]=4 85 B8R1.7 O=C(O)C1CCCS1 BB32-0695 [0,1,0,1,0,0|2,0,0]=4 86 B8R1.7 O=C(O)[C@@H]1C=CCN1 BB31-3955 [0,1,0,1,0,0|1,0,1]=4 87 B8R1.7 O=C(O)[C@@H]1C=CCN1 BB31-5745 [0,1,0,1,0,0|1,0,1]=4 88 B8R1.7 O=C(O)[C@H]1CCNC1 BB31-5430 [0,1,0,1,0,0|1,0,0]=3 89 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 BB31-7196 [0,1,0,1,0,0|2,0,0]=4 90 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 BB31-8607 [0,1,0,1,0,0|2,0,0]=4 91 B8R1.23 O=C(O)C1CC(Cl)C1 BB31-7948 [0,1,0,1,0,0|2,0,0]=4 92 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 BB31-0994 [0,1,0,1,0,0|2,0,0]=4 93 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 BB31-0993 [0,1,0,1,0,0|2,0,0]=4 94 B8R1.78 O=C(O)C1(O)COC1 BB31-2829 [0,1,0,1,0,0|1,1,0]=4 95 B8R1.38 COC(=O)C1COC1 BB31-3226 [0,1,0,1,0,0|1,1,0]=4 96 B8R1.63 CCC1(C(=O)O)CC1 BB31-2928 [0,1,0,1,0,0|2,0,0]=4 97 B8R1.63 COC1(C(=O)O)CC1 BB31-0109 [0,1,0,1,0,0|2,0,0]=4 98 B8R1.63 O=C(O)C1(CF)CC1 BB31-1780 [0,1,0,1,0,0|2,0,0]=4 99 B8R1.77 O=C(O)[C@@H]1CC1(F)F BB31-4050 [0,1,0,1,0,0|2,0,0]=4 100 B8R1.77 O=C(O)[C@H]1CC1(F)F BB31-3198 [0,1,0,1,0,0|2,0,0]=4