0 B8R0.6 CCCCOC(=O)CN BB31-9514 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.6 CCNCCC(=O)OC BB31-6215 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.1 CCCNCCOC BB31-6246 [1,0,0,0,0,0|1,0,2]=4 3 B9R0.1 C=C(C)CCCC(=O)OC BB32-1876 [0,1,0,0,0,0|0,0,3]=4 4 B9R0.47 CCCCCC(=O)N(C)C BB31-6255 [0,1,0,0,0,0|1,0,2]=4 5 B9R1.7 CCCC1=NNC(=O)C1 BB52-7288 [0,0,0,1,0,0|2,0,1]=4 6 B9R1.7 CCCC1COC(=O)O1 BB31-8496 [0,0,0,1,0,0|1,0,1]=3 7 B9R1.11 COC(=O)C1=CSN=N1 BB31-7806 [0,0,0,1,0,0|3,0,0]=4 8 B9R1.11 COC(=O)C1=NOC=C1 BB32-1155 [0,0,0,1,0,0|2,0,1]=4 9 B9R1.79 COC(=O)CC1COC1 BB31-2235 [0,0,0,1,0,0|1,0,2]=4 10 B6R0.1 C#CCC(=O)OC BB32-1580 [2,0,0,0,0,0|0,0,2]=4 11 B6R0.1 CCCC(=O)CCl BB31-4027 [2,0,0,0,0,0|2,0,0]=4 12 B6R0.4 CC(=O)CCCBr BB31-6000 [2,0,0,0,0,0|1,0,1]=4 13 B6R0.4 COCOC(C)=O BB32-2824 [2,0,0,0,0,0|2,0,0]=4 14 B8R0.8 CCCCC(=O)[C@H](C)N BB31-2998 [1,1,0,0,0,0|1,0,1]=4 15 B8R0.9 CCC(=O)NCC(C)C BB32-3399 [1,1,0,0,0,0|2,0,0]=4 16 B8R0.19 CC[C@H](O)CC(=O)OC BB31-5331 [1,1,0,0,0,0|0,0,1]=3 17 B8R0.19 COC(=O)N[C@@H](C)CN BB31-0922 [1,1,0,0,0,0|2,0,0]=4 18 B8R0.5 CCCC(C)CC(C)=O BB32-3065 [1,1,0,0,0,0|0,0,2]=4 19 B8R0.5 CCC[C@H](N)CC(=O)O BB32-3503 [1,1,0,0,0,0|0,0,2]=4 20 B8R0.5 CCC\C(C)=C\C(=O)O BB31-5804 [1,1,0,0,0,0|0,0,0]=2 21 B10R0.3 CCOC(=O)\C=C\CN(C)C BB31-9011 [0,2,0,0,0,0|1,0,0]=3 22 B10R0.2 CCOC(=O)NC(=O)OCC BB32-0619 [0,2,0,0,0,0|2,0,0]=4 23 B10R0.18 C#CCCC(=O)CC(=O)OC BB31-0074 [0,2,0,0,0,0|0,0,2]=4 24 B10R0.18 CCOCC(=O)CC(=O)OC BB32-1709 [0,2,0,0,0,0|0,0,1]=3 25 B8R1.8 CCCC1=NNC=C1 BB31-7142 [1,0,0,1,0,0|2,0,0]=4 26 B8R1.8 OCCC1=COC=C1 BB31-4913 [1,0,0,1,0,0|1,0,1]=4 27 B8R1.1 COC1=CC(=O)CC1 BB31-5801 [1,0,0,1,0,0|2,0,0]=4 28 B8R1.1 O=C1N[C@@H](CI)CO1 BB31-2803 [1,0,0,1,0,0|2,0,0]=4 29 B8R1.1 O=C1N[C@H](CO)CO1 BB31-1953 [1,0,0,1,0,0|2,0,0]=4 30 B8R1.38 COC(=O)C1COC1 BB31-3226 [1,0,0,1,0,0|1,0,1]=4 31 B8R1.40 COC(=O)CC1CC1 BB32-1998 [1,0,0,1,0,0|0,0,1]=3 32 B8R1.4 CC1CCNC(=O)C1 BB31-5195 [1,0,0,1,0,0|1,0,1]=4 33 B8R1.4 CC1CCOC(=O)O1 BB31-3403 [1,0,0,1,0,0|1,0,1]=4 34 B8R1.7 CC(=O)[C@@H]1CCCO1 BB31-1725 [1,0,0,1,0,0|1,0,1]=4 35 B8R1.7 O=C(O)C1CCCS1 BB32-0695 [1,0,0,1,0,0|1,0,1]=4 36 B8R1.31 CC1CCC1C(=O)O BB31-4909 [1,0,0,1,0,0|0,0,2]=4 37 B10R1.14 COC(=O)C1=CC(=O)CC1 BB31-9888 [0,1,0,1,0,0|0,0,1]=3 38 B10R1.14 COC(=O)C1=CNC(C)=C1 BB32-1910 [0,1,0,1,0,0|1,0,1]=4 39 B10R1.14 COC(=O)C1=CNC(C)=N1 BB31-7210 [0,1,0,1,0,0|1,0,1]=4 40 B10R1.14 COC(=O)C1=NN(C)N=C1 BB31-6210 [0,1,0,1,0,0|2,0,0]=4 41 B10R1.14 COC(=O)[C@@H]1C=C[C@H](N)C1 BB31-4192 [0,1,0,1,0,0|0,0,2]=4 42 B10R1.14 COC(=O)[C@@H]1CC[C@@H](N)C1 BB31-5268 [0,1,0,1,0,0|0,0,2]=4 43 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 BB31-3489 [0,1,0,1,0,0|0,0,2]=4 44 B10R1.14 COC(=O)[C@@H]1CC[C@H](O)C1 BB31-3426 [0,1,0,1,0,0|0,0,2]=4 45 B10R1.14 COC(=O)[C@@H]1C[C@@H](F)CN1 BB31-1508 [0,1,0,1,0,0|1,0,1]=4 46 B10R1.14 COC(=O)[C@@H]1C[C@@H](F)CN1 BB32-2988 [0,1,0,1,0,0|1,0,1]=4 47 B10R1.14 COC(=O)[C@H]1CC[C@@H](N)C1 BB32-0731 [0,1,0,1,0,0|0,0,2]=4 48 B10R1.14 COC(=O)[C@H]1C[C@@H](F)CN1 BB31-2804 [0,1,0,1,0,0|1,0,1]=4 49 B10R1.54 CC(C)C[C@H]1COC(=O)N1 BB32-0436 [0,1,0,1,0,0|1,0,1]=4 50 B10R1.11 CCOC(=O)C1=CCCC1 BB31-0334 [0,1,0,1,0,0|0,0,0]=2 51 B10R1.137 CCOC(=O)C=C1CSC1 BB32-0291 [0,1,0,1,0,0|1,0,0]=3 52 B10R1.137 CCOC(=O)CC1CCC1 BB32-1564 [0,1,0,1,0,0|0,0,2]=4 53 B10R1.138 CCOC(=O)\C=C\C1CC1 BB31-4156 [0,1,0,1,0,0|0,0,0]=2 54 B10R1.15 COC(=O)C1=CCNCC1 BB31-6196 [0,1,0,1,0,0|0,0,0]=2 55 B10R1.15 COC(=O)C1=CCOCC1 BB31-7947 [0,1,0,1,0,0|0,0,0]=2 56 B10R1.15 COC(=O)C1=COCCC1 BB31-6594 [0,1,0,1,0,0|0,0,0]=2 57 B10R1.15 COC(=O)C1CCSCC1 BB31-1822 [0,1,0,1,0,0|0,0,2]=4 58 B10R1.15 COC(=O)N1CCNCC1 BB52-9825 [0,1,0,1,0,0|1,0,1]=4 59 B10R1.15 COC(=O)[C@H]1COCCN1 BB31-5008 [0,1,0,1,0,0|1,0,1]=4 60 B10R1.15 COC(=O)[C@H]1COCCN1 BB31-9151 [0,1,0,1,0,0|1,0,1]=4 61 B10R1.182 COC(=O)[C@@H](N)C1CCC1 BB31-2238 [0,1,0,1,0,0|0,0,2]=4 62 B10R1.411 COC(=O)[C@@]1(C)CCCN1 BB31-1844 [0,1,0,1,0,0|1,0,1]=4 63 B10R1.27 COC(=O)C[C@H]1CCCN1 BB32-1710 [0,1,0,1,0,0|0,0,2]=4 64 B10R1.27 COC(=O)C[C@H]1CCNC1 BB31-0316 [0,1,0,1,0,0|0,0,2]=4 65 B10R1.149 COC(=O)C1=CN=NN1C BB31-6199 [0,1,0,1,0,0|2,0,0]=4 66 B10R1.149 COC(=O)C1=CNC=C1C BB32-1705 [0,1,0,1,0,0|0,0,2]=4 67 B10R1.149 COC(=O)C1=CSC=C1C BB32-3581 [0,1,0,1,0,0|0,0,2]=4 68 B10R1.149 COC(=O)C1OCCC1=O BB31-7530 [0,1,0,1,0,0|1,0,1]=4 69 B10R1.149 COC(=O)[C@@H]1CCCN1C BB32-1741 [0,1,0,1,0,0|0,0,2]=4