0 B7R0.18 CCC(N)(CO)CO CS21221 [0,0,0,0,0,0|1,0,0]=1 1 B6R0.8 C#CC(C)(N)CC CS22059 [1,0,0,0,0,0|2,0,1]=4 2 B6R0.8 CC(C)(C#N)CO CS13572 [1,0,0,0,0,0|2,0,1]=4 3 B6R0.8 CC(C)(C=O)CO MC21089 [1,0,0,0,0,0|1,0,2]=4 4 B6R0.8 CC(C)(CBr)CBr CS20516 [1,0,0,0,0,0|3,0,0]=4 5 B6R0.8 CC(C)(CN)CO CS22037 [1,0,0,0,0,0|2,0,0]=3 6 B6R0.8 CCC(C)(N)C#N CS17000 [1,0,0,0,0,0|2,0,1]=4 7 B6R0.8 NCC(F)(F)CO MC444228 [1,0,0,0,0,0|3,0,0]=4 8 B8R0.10 OCC(CBr)(CBr)CBr CS13741 [0,1,0,0,0,0|3,0,0]=4 9 B8R0.36 CC(CO)(CO)C(=O)O CS20965 [0,1,0,0,0,0|1,0,1]=3 10 B8R0.36 CCC(N)(CC)C(=O)O MC439327 [0,1,0,0,0,0|2,0,1]=4 11 B8R1.52 CC1(CBr)CCOC1 MC104228 [0,0,0,1,0,0|3,0,0]=4 12 B8R1.52 CC1(CN)CCOC1 MC103499 [0,0,0,1,0,0|3,0,0]=4 13 B8R1.52 CC1(CO)CCOC1 MC104227 [0,0,0,1,0,0|2,0,0]=3 14 B8R1.52 NC1(CO)CCOC1 MC103469 [0,0,0,1,0,0|1,0,0]=2 15 B8R1.52 OCC1(F)CCCC1 MC443810 [0,0,0,1,0,0|3,0,0]=4 16 B8R1.52 OCC1(O)CCNC1 MC104779 [0,0,0,1,0,0|3,0,0]=4 17 B8R1.60 BrCC1(CBr)COC1 MC443822 [0,0,0,1,0,0|3,0,0]=4 18 B8R1.60 CCC1(CO)COC1 MC440257 [0,0,0,1,0,0|2,0,0]=3 19 B8R1.60 CNC1(CO)COC1 MC102481 [0,0,0,1,0,0|3,0,0]=4 20 B8R1.60 ClCC1(CBr)COC1 MC113070 [0,0,0,1,0,0|3,0,0]=4 21 B8R1.60 ClCC1(CCl)COC1 MC41664 [0,0,0,1,0,0|3,0,0]=4 22 B8R1.60 ClCC1(CI)COC1 MC113069 [0,0,0,1,0,0|3,0,0]=4 23 B8R1.60 FCC1(CF)COC1 MC113064 [0,0,0,1,0,0|3,0,0]=4 24 B8R1.60 NCC1(CN)COC1 MC102493 [0,0,0,1,0,0|3,0,0]=4 25 B8R1.60 NCC1(CN)COC1 MC121254 [0,0,0,1,0,0|3,0,0]=4 26 B8R1.60 NCC1(CN)COC1 MC444206 [0,0,0,1,0,0|3,0,0]=4 27 B8R1.60 NCC1(CO)COC1 CS22100 [0,0,0,1,0,0|2,0,0]=3 28 B8R1.60 OCC1(CBr)COC1 CS22180 [0,0,0,1,0,0|2,0,0]=3 29 B8R1.60 OCC1(CCl)COC1 MC121236 [0,0,0,1,0,0|2,0,0]=3 30 B8R1.60 OCC1(CO)CCC1 MC121123 [0,0,0,1,0,0|2,0,0]=3 31 B8R1.60 OCC1(CO)COC1 MC31109 [0,0,0,1,0,0|1,0,0]=2 32 B8R1.64 OCC1(CO)CC1F MC102957 [0,0,0,1,0,0|2,0,0]=3 33 B5R0.3 C=C(CO)CO CS21689 [2,0,0,0,0,0|0,0,2]=4 34 B5R0.3 CCC(N)CO CS15119 [2,0,0,0,0,0|1,0,0]=3 35 B5R0.3 CCC(N)CO MC10528 [2,0,0,0,0,0|1,0,0]=3 36 B5R0.3 CCC(N)CO MC20718 [2,0,0,0,0,0|1,0,0]=3 37 B5R0.3 CCC(N)CO MC436159 [2,0,0,0,0,0|1,0,0]=3 38 B5R0.3 CCC(O)CO CS15622 [2,0,0,0,0,0|1,0,0]=3 39 B5R0.3 COC(C)CO CS12306 [2,0,0,0,0,0|2,0,0]=4 40 B5R0.3 NC(CO)CO CS18352 [2,0,0,0,0,0|0,0,0]=2 41 B5R0.3 NCC(O)CCl MC427329 [2,0,0,0,0,0|2,0,0]=4 42 B5R0.3 NCC(O)CN CS14232 [2,0,0,0,0,0|2,0,0]=4 43 B5R0.3 NCC(O)CO CS14832 [2,0,0,0,0,0|1,0,0]=3 44 B5R0.3 NCC(O)CO CS18397 [2,0,0,0,0,0|1,0,0]=3 45 B5R0.3 NCC(O)CO MC20311 [2,0,0,0,0,0|1,0,0]=3 46 B5R0.3 O=C(CO)CO CS11245 [2,0,0,0,0,0|0,0,2]=4 47 B5R0.3 O=CC(O)CO MC107096 [2,0,0,0,0,0|0,0,2]=4 48 B5R0.3 O=CC(O)CO MC20361 [2,0,0,0,0,0|0,0,2]=4 49 B5R0.3 O=CC(O)CO MC20362 [2,0,0,0,0,0|0,0,2]=4 50 B5R0.3 OC(CCl)CCl MC428012 [2,0,0,0,0,0|2,0,0]=4 51 B5R0.3 OC(CF)CF MC429449 [2,0,0,0,0,0|2,0,0]=4 52 B5R0.3 OCC(O)CCl CS15061 [2,0,0,0,0,0|1,0,0]=3 53 B5R0.3 OCC(O)CCl MC20314 [2,0,0,0,0,0|1,0,0]=3 54 B5R0.4 CC(C)(C)CN CS11775 [2,0,0,0,0,0|2,0,0]=4 55 B5R0.4 CC(C)(F)CO MC429446 [2,0,0,0,0,0|1,0,0]=3 56 B5R0.4 CC(C)(N)C#N CS15395 [2,0,0,0,0,0|1,0,1]=4 57 B5R0.4 CC(C)(N)CN MC443126 [2,0,0,0,0,0|1,0,0]=3 58 B5R0.4 CC(C)(O)CN CS20593 [2,0,0,0,0,0|2,0,0]=4 59 B5R0.4 CC(C)(S)CN MC434042 [2,0,0,0,0,0|2,0,0]=4 60 B5R0.4 CC(F)(F)CO MC429356 [2,0,0,0,0,0|2,0,0]=4 61 B7R0.11 COCC(C)(C)CN MC418388 [1,1,0,0,0,0|2,0,0]=4 62 B7R0.11 COCC(C)(C)CN MC431431 [1,1,0,0,0,0|2,0,0]=4 63 B7R0.13 CC(C)(CO)C(=O)O CS19743 [1,1,0,0,0,0|1,0,1]=4 64 B7R0.13 CC(N)(CO)C(=O)O MC437944 [1,1,0,0,0,0|0,0,1]=3 65 B7R0.13 CC(N)(CO)C(=O)O MC437946 [1,1,0,0,0,0|0,0,1]=3 66 B7R0.13 CC(N)(CS)C(=O)O MC445186 [1,1,0,0,0,0|0,1,1]=4 67 B7R0.13 CCC(C)(N)C(=O)O CS16944 [1,1,0,0,0,0|1,0,1]=4 68 B7R1.25 CC1(CBr)COC1 CS22179 [1,0,0,1,0,0|2,0,0]=4 69 B7R1.25 CC1(CN)COC1 CS22390 [1,0,0,1,0,0|2,0,0]=4 70 B7R1.25 CC1(CO)CCO1 MC102954 [1,0,0,1,0,0|2,0,0]=4 71 B7R1.25 CC1(CO)COC1 CS16968 [1,0,0,1,0,0|1,0,0]=3 72 B7R1.25 CC1(CO)CSC1 MC121099 [1,0,0,1,0,0|1,1,0]=4 73 B7R1.25 CC1(CS)COC1 MC115780 [1,0,0,1,0,0|1,1,0]=4 74 B7R1.25 CCC1(N)CNC1 MC105492 [1,0,0,1,0,0|2,0,0]=4 75 B7R1.25 CCC1(N)COC1 MC102900 [1,0,0,1,0,0|1,0,0]=3 76 B7R1.25 FC1(CBr)COC1 MC113194 [1,0,0,1,0,0|2,0,0]=4 77 B7R1.25 FC1(CI)COC1 MC102471 [1,0,0,1,0,0|2,0,0]=4 78 B7R1.25 NC1(CO)COC1 MC102014 [1,0,0,1,0,0|0,0,0]=2 79 B7R1.25 NCC1(F)COC1 MC102450 [1,0,0,1,0,0|2,0,0]=4 80 B7R1.25 NCC1(N)CCC1 CS17914 [1,0,0,1,0,0|2,0,0]=4 81 B7R1.25 OCC1(F)CNC1 MC103712 [1,0,0,1,0,0|2,0,0]=4 82 B7R1.25 OCC1(F)COC1 MC121269 [1,0,0,1,0,0|1,0,0]=3 83 B7R1.29 OCC1(CO)CC1 MC20742 [1,0,0,1,0,0|1,0,0]=3 84 B7R1.1 NCC1CCOC1 MC102307 [1,0,0,1,0,0|2,0,0]=4 85 B7R1.1 NCC1CCOC1 MC103862 [1,0,0,1,0,0|2,0,0]=4 86 B7R1.1 NCC1CCOC1 MC115675 [1,0,0,1,0,0|2,0,0]=4 87 B7R1.1 NCC1CCOC1 MC121256 [1,0,0,1,0,0|2,0,0]=4 88 B7R1.1 OCC1CC=CC1 CS20734 [1,0,0,1,0,0|2,0,0]=4 89 B7R1.1 OCC1CCCC1 CS11185 [1,0,0,1,0,0|2,0,0]=4 90 B7R1.1 OCC1CCNC1 CS11284 [1,0,0,1,0,0|2,0,0]=4 91 B7R1.1 OCC1CCNC1 CS16764 [1,0,0,1,0,0|2,0,0]=4 92 B7R1.1 OCC1CCNC1 CS18341 [1,0,0,1,0,0|2,0,0]=4 93 B7R1.1 OCC1CCNC1 MC102405 [1,0,0,1,0,0|2,0,0]=4 94 B7R1.1 OCC1CCNC1 MC115660 [1,0,0,1,0,0|2,0,0]=4 95 B7R1.1 OCC1CCOC1 MC113000 [1,0,0,1,0,0|1,0,0]=3 96 B7R1.1 OCC1CCOC1 MC113001 [1,0,0,1,0,0|1,0,0]=3 97 B7R1.1 OCC1CCOC1 MC427704 [1,0,0,1,0,0|1,0,0]=3 98 B9R1.204 OCC1(CO)CCCC1 MC442320 [0,1,0,1,0,0|2,0,0]=4 99 B9R1.118 NC1(CO)CCOCC1 MC444316 [0,1,0,1,0,0|1,0,0]=3 100 B9R1.118 NC1(CO)CCOCC1 MC444317 [0,1,0,1,0,0|1,0,0]=3 101 B9R1.175 NCC1(CCO)COC1 MC115696 [0,1,0,1,0,0|2,0,0]=4 102 B9R1.163 NC1(C(=O)O)CCOC1 MC20730 [0,1,0,1,0,0|1,0,1]=4 103 B9R2.173 C1CC2(CCOC2)N1 MC115741 [0,0,0,2,0,0|2,0,0]=4