0 B7R0.18 C#CC(N)(CC)CC 20511 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.18 CCC(N)(C#N)CC 20841 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.8 C#CC(C)(C)CO 20986 [1,0,0,0,0,0|2,0,1]=4 3 B6R0.8 CC(O)(CO)CO AC1642 [1,0,0,0,0,0|1,0,0]=2 4 B6R0.8 CC[C@](C)(N)C#N 25874 [1,0,0,0,0,0|2,0,1]=4 5 B6R0.8 NCC(F)(F)CO 74613 [1,0,0,0,0,0|3,0,0]=4 6 B6R0.9 CCC(CBr)CBr W17735 [1,0,0,0,0,0|3,0,0]=4 7 B6R0.9 CC[C@@H](CN)CO Y13480 [1,0,0,0,0,0|2,0,0]=3 8 B6R0.9 CO[C@@H](CN)CO P20679 [1,0,0,0,0,0|3,0,0]=4 9 B8R0.10 OCC(CO)(CO)CBr T70490 [0,1,0,0,0,0|1,0,0]=2 10 B8R0.31 CCC(O)(CC)COC 73811 [0,1,0,0,0,0|3,0,0]=4 11 B8R0.36 CCC(N)(CC)C(=O)O 20649 [0,1,0,0,0,0|2,0,1]=4 12 B8R1.52 CC1(CO)CCCC1 90940 [0,0,0,1,0,0|3,0,0]=4 13 B8R1.52 C[C@]1(CN)CCOC1 38929 [0,0,0,1,0,0|3,0,0]=4 14 B8R1.52 C[C@]1(CO)CCNC1 73010 [0,0,0,1,0,0|3,0,0]=4 15 B8R1.52 C[C@]1(CO)CCOC1 P13013 [0,0,0,1,0,0|2,0,0]=3 16 B8R1.52 N[C@@]1(CO)CCOC1 P12315 [0,0,0,1,0,0|1,0,0]=2 17 B8R1.52 OC[C@]1(F)CCNC1 73170 [0,0,0,1,0,0|3,0,0]=4 18 B8R1.52 OC[C@]1(O)CCNC1 P16014 [0,0,0,1,0,0|3,0,0]=4 19 B8R1.60 CCC1(CN)COC1 32774 [0,0,0,1,0,0|3,0,0]=4 20 B8R1.60 COC1(CO)COC1 P17512 [0,0,0,1,0,0|3,0,0]=4 21 B8R1.60 ClCC1(CI)COC1 P15352 [0,0,0,1,0,0|3,0,0]=4 22 B8R1.60 N#CC1(CO)COC1 D79068 [0,0,0,1,0,0|2,0,1]=4 23 B8R1.60 NCC1(CN)COC1 P12430 [0,0,0,1,0,0|3,0,0]=4 24 B8R1.60 OCC1(CO)CNC1 39072 [0,0,0,1,0,0|2,0,0]=3 25 B5R0.3 C=C[C@@H](N)CO 52208 [2,0,0,0,0,0|1,0,1]=4 26 B5R0.3 C=C[C@@H](N)CO 52209 [2,0,0,0,0,0|1,0,1]=4 27 B5R0.3 C=C[C@@H](N)CO 52211 [2,0,0,0,0,0|1,0,1]=4 28 B5R0.3 C=C[C@@H](O)CO 56500 [2,0,0,0,0,0|1,0,1]=4 29 B5R0.3 CC[C@H](C)CN 88665 [2,0,0,0,0,0|2,0,0]=4 30 B5R0.3 CN[C@@H](C)CO AC8719 [2,0,0,0,0,0|2,0,0]=4 31 B5R0.3 CN[C@@H](C)CO C77593 [2,0,0,0,0,0|2,0,0]=4 32 B5R0.3 CN[C@@H](C)CO D80042 [2,0,0,0,0,0|2,0,0]=4 33 B5R0.3 CN[C@@H](C)CO D80344 [2,0,0,0,0,0|2,0,0]=4 34 B5R0.3 CN[C@@H](C)CO D82586 [2,0,0,0,0,0|2,0,0]=4 35 B5R0.3 CO[C@@H](C)CO 91002 [2,0,0,0,0,0|2,0,0]=4 36 B5R0.3 C[C@@H](CN)CCl 72948 [2,0,0,0,0,0|2,0,0]=4 37 B5R0.3 C[C@@H](CO)CBr AB3182 [2,0,0,0,0,0|1,0,0]=3 38 B5R0.3 NC[C@H](F)CO 94841 [2,0,0,0,0,0|2,0,0]=4 39 B5R0.3 NC[C@H](F)CO 94845 [2,0,0,0,0,0|2,0,0]=4 40 B5R0.3 NC[C@H](F)CO 94846 [2,0,0,0,0,0|2,0,0]=4 41 B5R0.3 NC[C@H](O)CCl C10413 [2,0,0,0,0,0|2,0,0]=4 42 B5R0.3 NC[C@H](O)CF 94771 [2,0,0,0,0,0|2,0,0]=4 43 B5R0.3 OC[C@H](O)CF 65949 [2,0,0,0,0,0|1,0,0]=3 44 B5R0.3 OC[C@H](O)CF F14582 [2,0,0,0,0,0|1,0,0]=3 45 B5R0.4 CC(C)(Br)CN 55595 [2,0,0,0,0,0|2,0,0]=4 46 B5R0.4 CC(C)(C)NO 77598 [2,0,0,0,0,0|2,0,0]=4 47 B5R0.4 CC(C)(Cl)CCl H11156 [2,0,0,0,0,0|2,0,0]=4 48 B5R0.4 CC(C)(F)CBr 29918 [2,0,0,0,0,0|2,0,0]=4 49 B5R0.4 CC(C)(F)CO P17817 [2,0,0,0,0,0|1,0,0]=3 50 B5R0.4 CC(C)(O)CBr A11164 [2,0,0,0,0,0|2,0,0]=4 51 B7R0.11 CC(C)(CO)CCO W16131 [1,1,0,0,0,0|1,0,0]=3 52 B7R0.11 COCC(C)(C)CO BL000418 [1,1,0,0,0,0|1,0,0]=3 53 B7R0.13 CC[C@](C)(N)C(=O)O 63927 [1,1,0,0,0,0|1,0,1]=4 54 B7R0.13 CC[C@](C)(N)C(=O)O F12073 [1,1,0,0,0,0|1,0,1]=4 55 B7R0.13 C[C@](N)(CO)C(=O)O 64334 [1,1,0,0,0,0|0,0,1]=3 56 B7R0.12 CCCC(CO)CO AB7729 [1,1,0,0,0,0|1,0,0]=3 57 B7R0.12 CCN[C@@H](CC)CO 29377 [1,1,0,0,0,0|2,0,0]=4 58 B7R0.15 CC(C)C(CO)CO 73803 [1,1,0,0,0,0|1,0,0]=3 59 B7R0.15 CC[C@@H](CO)C(C)C C74656 [1,1,0,0,0,0|2,0,0]=4 60 B7R1.14 CC1(N)CCCC1 90423 [1,0,0,1,0,0|2,0,0]=4 61 B7R1.14 C[C@]1(N)CCOC1 38927 [1,0,0,1,0,0|1,0,0]=3 62 B7R1.14 C[C@]1(O)CCOC1 69114 [1,0,0,1,0,0|2,0,0]=4 63 B7R1.25 CC1(CO)CCC1 90942 [1,0,0,1,0,0|2,0,0]=4 64 B7R1.25 CC1(CO)CNC1 73126 [1,0,0,1,0,0|2,0,0]=4 65 B7R1.25 CCC1(N)COC1 32880 [1,0,0,1,0,0|1,0,0]=3 66 B7R1.25 CCC1(O)COC1 69107 [1,0,0,1,0,0|2,0,0]=4 67 B7R1.25 C[C@]1(CO)CCN1 P18401 [1,0,0,1,0,0|1,0,0]=3 68 B7R1.25 FC1(CBr)COC1 32850 [1,0,0,1,0,0|2,0,0]=4 69 B7R1.25 N#CC1(N)COC1 P15362 [1,0,0,1,0,0|1,0,1]=4 70 B7R1.25 NC1(CF)COC1 P18909 [1,0,0,1,0,0|1,0,0]=3 71 B7R1.25 NC1(CO)CCC1 P11244 [1,0,0,1,0,0|1,0,0]=3 72 B7R1.25 NC1(CO)COC1 32838 [1,0,0,1,0,0|0,0,0]=2 73 B7R1.25 NCC1(F)COC1 32924 [1,0,0,1,0,0|2,0,0]=4 74 B7R1.25 NCC1(O)COC1 32889 [1,0,0,1,0,0|2,0,0]=4 75 B7R1.25 OCC1(F)CCC1 85746 [1,0,0,1,0,0|2,0,0]=4 76 B7R1.25 OCC1(F)COC1 32840 [1,0,0,1,0,0|1,0,0]=3 77 B7R1.25 OCC1(O)CCC1 AT20135 [1,0,0,1,0,0|2,0,0]=4 78 B7R1.25 OCC1(O)CNC1 P15456 [1,0,0,1,0,0|2,0,0]=4 79 B7R1.29 OCC1(CF)CC1 32156 [1,0,0,1,0,0|2,0,0]=4 80 B7R1.1 BrC[C@H]1CCOC1 84096 [1,0,0,1,0,0|2,0,0]=4 81 B7R1.1 NC[C@H]1CCOC1 37316 [1,0,0,1,0,0|2,0,0]=4 82 B7R1.1 NC[C@H]1CCOC1 68891 [1,0,0,1,0,0|2,0,0]=4 83 B7R1.1 NC[C@H]1CCOC1 P12031 [1,0,0,1,0,0|2,0,0]=4 84 B7R1.1 OC[C@H]1CCNC1 24481 [1,0,0,1,0,0|2,0,0]=4 85 B7R1.1 OC[C@H]1CCNC1 29239 [1,0,0,1,0,0|2,0,0]=4 86 B7R1.1 OC[C@H]1CCNC1 30959 [1,0,0,1,0,0|2,0,0]=4 87 B7R1.1 OC[C@H]1CCOC1 37313 [1,0,0,1,0,0|1,0,0]=3 88 B7R1.1 OC[C@H]1CCOC1 37314 [1,0,0,1,0,0|1,0,0]=3 89 B9R1.204 OCC1(CO)CCCC1 A50570 [0,1,0,1,0,0|2,0,0]=4 90 B9R1.118 CC1(CO)CCOCC1 31610 [0,1,0,1,0,0|2,0,0]=4 91 B9R1.118 CCC1(N)CCOCC1 P16087 [0,1,0,1,0,0|2,0,0]=4 92 B9R1.118 NC1(CO)CCNCC1 P19134 [0,1,0,1,0,0|2,0,0]=4 93 B9R1.118 NC1(CO)CCOCC1 30407 [0,1,0,1,0,0|1,0,0]=3 94 B9R1.118 NC1(CO)CCSCC1 AC1096 [0,1,0,1,0,0|1,1,0]=4 95 B9R1.118 OCC1(F)CCOCC1 38679 [0,1,0,1,0,0|2,0,0]=4 96 B9R1.124 NC1CC(CO)(CO)C1 39219 [0,1,0,1,0,0|2,0,0]=4 97 B9R1.124 O=C1CC(CO)(CO)C1 P13991 [0,1,0,1,0,0|1,0,1]=4 98 B9R1.124 OCC1(CO)CC(F)C1 D76865 [0,1,0,1,0,0|2,0,0]=4 99 B9R1.175 CNCC1(CO)COC1 D96957 [0,1,0,1,0,0|2,0,0]=4 100 B9R1.163 N[C@@]1(C(=O)O)CCOC1 53168 [0,1,0,1,0,0|1,0,1]=4 101 B9R1.163 N[C@@]1(C(=O)O)CCOC1 77577 [0,1,0,1,0,0|1,0,1]=4 102 B9R1.163 N[C@@]1(C(=O)O)CCOC1 77578 [0,1,0,1,0,0|1,0,1]=4 103 B9R2.56 OCC12COCC1C2 D79110 [0,0,0,2,0,0|2,0,0]=4 104 B9R2.140 O[C@H]1CCC12COC2 84055 [0,0,0,2,0,0|2,0,0]=4