0 B6R0.3 C=C[C@H](N)C(=O)O BB31-5208 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.3 CC(C#N)C(=O)O BB32-3033 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.3 CC[C@@H](C)C(=O)O BB31-4656 [0,0,0,0,0,0|0,0,2]=2 3 B6R0.3 CC[C@@H](O)C(=O)O BB31-3920 [0,0,0,0,0,0|1,0,2]=3 4 B6R0.3 NC[C@@H](N)C(=O)O BB31-4003 [0,0,0,0,0,0|2,0,2]=4 5 B5R0.1 COCC(N)=O BB31-3207 [1,0,0,0,0,0|2,0,1]=4 6 B5R0.1 O=C(O)CCF BB32-2513 [1,0,0,0,0,0|1,0,2]=4 7 B5R0.1 O=C(O)\C=C\Br BB31-5400 [1,0,0,0,0,0|1,0,0]=2 8 B5R0.3 CO[C@@H](C)CO BB31-0453 [1,0,0,0,0,0|1,0,2]=4 9 B5R0.5 CC(=O)C(N)=O BB32-3571 [1,0,0,0,0,0|2,0,0]=3 10 B7R0.5 CC(CCO)C(N)=O BB31-7816 [0,1,0,0,0,0|1,0,2]=4 11 B7R0.5 NCCC(F)C(=O)O BB31-4428 [0,1,0,0,0,0|1,0,2]=4 12 B7R0.10 COC(=O)C(C)CN BB31-6417 [0,1,0,0,0,0|1,0,2]=4 13 B7R0.10 COC(=O)[C@@H](C)CBr BB31-6195 [0,1,0,0,0,0|1,0,2]=4 14 B7R0.10 C\C=C(/Br)C(=O)OC BB31-3618 [0,1,0,0,0,0|1,0,0]=2 15 B7R0.13 CC(C)(CN)C(=O)O BB31-3976 [0,1,0,0,0,0|1,0,2]=4 16 B7R0.13 CC(C)(CN)C(=O)O BB31-5761 [0,1,0,0,0,0|1,0,2]=4 17 B7R0.13 C[C@@](N)(CO)C(=O)O BB31-6838 [0,1,0,0,0,0|1,0,2]=4 18 B7R0.15 CN[C@@H](CO)C(=O)O BB31-9937 [0,1,0,0,0,0|1,0,1]=3 19 B7R0.15 NC[C@H](CO)C(=O)O BB31-2226 [0,1,0,0,0,0|1,0,2]=4 20 B7R0.16 CC(C)C(C)C(=O)O BB31-8342 [0,1,0,0,0,0|0,0,2]=3 21 B7R1.4 CC1=C(Br)C=NO1 BB32-3633 [0,0,0,1,0,0|3,0,0]=4 22 B7R1.4 CC1=C(C)OC=N1 BB31-4084 [0,0,0,1,0,0|2,0,1]=4 23 B7R1.4 CC1=C(I)C=NO1 BB31-6971 [0,0,0,1,0,0|3,0,0]=4 24 B7R1.4 CN1C=CNC1=O BB31-4937 [0,0,0,1,0,0|2,0,1]=4 25 B7R1.4 NC1CCOC1=O BB52-6516 [0,0,0,1,0,0|1,0,2]=4 26 B7R1.12 C[C@@H]1C[C@H]1C(=O)O BB32-3490 [0,0,0,1,0,0|0,0,2]=3 27 B7R1.12 C[C@H]1C[C@@H]1C(=O)O BB32-0696 [0,0,0,1,0,0|0,0,2]=3 28 B7R1.12 O=C(O)[C@@H]1C[C@H]1F BB31-3334 [0,0,0,1,0,0|1,0,2]=4 29 B7R1.18 CC(=O)N1CCC1 BB32-2755 [0,0,0,1,0,0|2,0,1]=4 30 B7R1.18 O=C(O)C1=CCC1 BB32-1171 [0,0,0,1,0,0|0,0,0]=1 31 B7R1.18 O=C(O)C1COC1 BB31-0382 [0,0,0,1,0,0|1,0,2]=4 32 B7R1.19 CC1(C(N)=O)CC1 BB31-3052 [0,0,0,1,0,0|1,0,2]=4 33 B7R1.19 O=C(O)C1(Br)CC1 BB31-8489 [0,0,0,1,0,0|1,0,2]=4 34 B7R0.2 CCC(N)CC(=O)O BB31-5235 [0,0,0,0,0,1|1,0,2]=4 35 B7R0.2 CC[C@H](N)CC(=O)O BB31-2771 [0,0,0,0,0,1|1,0,2]=4 36 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O BB31-6183 [0,1,0,0,0,1|1,0,1]=4 37 B8R0.5 CCC\C(C)=C\C(=O)O BB31-5804 [0,1,0,0,0,1|0,0,1]=3 38 B8R0.16 CCC(CC)CC(=O)O BB32-3031 [0,1,0,0,0,1|0,0,2]=4 39 B8R0.23 CC(=O)C(C)CC(=O)O BB31-6096 [0,1,0,0,0,1|0,0,1]=3 40 B8R0.3 CCOC(=O)[C@@H](C)OC BB31-7778 [0,2,0,0,0,0|1,0,1]=4 41 B8R0.8 CCCCC(=O)C(=O)O BB31-4311 [0,2,0,0,0,0|1,0,1]=4 42 B8R0.12 C=CC[C@@](C)(N)C(=O)O BB31-5407 [0,2,0,0,0,0|0,0,2]=4 43 B8R0.12 C=CC[C@](C)(N)C(=O)O BB31-5427 [0,2,0,0,0,0|0,0,2]=4 44 B8R0.15 CCCC(CC)C(=O)O BB31-3760 [0,2,0,0,0,0|0,0,2]=4 45 B8R0.13 COC(=O)C(C)(C)C=O BB31-8066 [0,2,0,0,0,0|1,0,1]=4 46 B8R0.36 CCC(C)(CC)C(=O)O BB31-3894 [0,2,0,0,0,0|0,0,2]=4 47 B8R0.18 CC(C)=C(C#N)C(=O)O BB31-5676 [0,2,0,0,0,0|0,0,1]=3 48 B8R0.18 CC(C)[C@@H](CN)C(=O)O BB31-3788 [0,2,0,0,0,0|0,0,2]=4 49 B8R0.18 CC(C)[C@H](CN)C(=O)O BB31-1792 [0,2,0,0,0,0|0,0,2]=4 50 B6R1.2 O=C1C=CCS1 BB32-1702 [1,0,0,1,0,0|0,1,0]=3 51 B6R1.2 O=C1C=CON1 BB32-3109 [1,0,0,1,0,0|2,0,0]=4 52 B6R1.11 O=C(O)C1CO1 BB31-6282 [1,0,0,1,0,0|1,0,1]=4 53 B8R1.1 COC1=CC(=O)CC1 BB31-5801 [0,0,0,1,0,1|2,0,0]=4 54 B8R1.4 CC1CCOC(=O)O1 BB31-3403 [0,0,0,1,0,1|0,0,2]=4 55 B8R1.18 CC1=CC(=O)NN1C BB32-2100 [0,0,0,1,0,1|2,0,0]=4 56 B8R1.31 CC1CCC1C(=O)O BB31-4909 [0,0,0,1,0,1|0,0,2]=4 57 B8R1.5 CN1CCOCC1=O BB31-4094 [0,1,0,1,0,0|1,0,1]=4 58 B8R1.7 O=C(O)C1=CC=NS1 BB54-5260 [0,1,0,1,0,0|1,0,1]=4 59 B8R1.7 O=C(O)C1=CN=CO1 BB52-2257 [0,1,0,1,0,0|1,0,1]=4 60 B8R1.7 O=C(O)C1=NON=C1 BB54-2722 [0,1,0,1,0,0|2,0,0]=4 61 B8R1.7 O=C(O)C1CCCS1 BB32-0695 [0,1,0,1,0,0|0,0,2]=4 62 B8R1.7 O=C(O)[C@@H]1C=CCN1 BB31-3955 [0,1,0,1,0,0|0,0,2]=4 63 B8R1.7 O=C(O)[C@@H]1C=CCN1 BB31-5745 [0,1,0,1,0,0|0,0,2]=4 64 B8R1.7 O=C(O)[C@H]1CCNC1 BB31-5430 [0,1,0,1,0,0|0,0,2]=4 65 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 BB31-7196 [0,1,0,1,0,0|0,0,2]=4 66 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 BB31-8607 [0,1,0,1,0,0|0,0,2]=4 67 B8R1.23 O=C(O)C1CC(Cl)C1 BB31-7948 [0,1,0,1,0,0|0,0,2]=4 68 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 BB31-0994 [0,1,0,1,0,0|0,0,2]=4 69 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 BB31-0993 [0,1,0,1,0,0|0,0,2]=4 70 B8R1.11 C(=O)C1=C(C)C=NN1 BB05-4543 [0,1,0,1,0,0|2,0,0]=4 71 B8R1.11 CC1=CSC=C1C=O BB32-4004 [0,1,0,1,0,0|2,0,0]=4 72 B8R1.11 O=C1CCC=C1CO BB31-7246 [0,1,0,1,0,0|1,0,0]=3 73 B8R1.50 CC1=C(Br)C(=O)NO1 BB31-0111 [0,1,0,1,0,0|1,0,0]=3 74 B8R1.50 CC1=NNC(=O)C1C BB52-7289 [0,1,0,1,0,0|1,0,1]=4 75 B8R1.50 CC1=NOC(N)=C1Br BB54-5504 [0,1,0,1,0,0|2,0,0]=4 76 B8R1.63 CCC1(C(=O)O)CC1 BB31-2928 [0,1,0,1,0,0|0,0,2]=4 77 B8R1.63 COC1(C(=O)O)CC1 BB31-0109 [0,1,0,1,0,0|0,0,2]=4 78 B8R1.63 O=C(O)C1(CF)CC1 BB31-1780 [0,1,0,1,0,0|0,0,2]=4 79 B8R0.9 C=CC(=O)NCC(=O)O BB31-4277 [0,0,0,0,0,2|1,0,1]=4