0 B7R0.18 CCC(N)(CC)CO D75115 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.18 N#CC(N)(CF)CF 92872 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.18 NCC(N)(CF)CF 92875 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.8 C=CC(C)(C)CO C77629 [1,0,0,0,0,0|2,0,1]=4 4 B6R0.8 CC(C)(CO)ON AT14544 [1,0,0,0,0,0|3,0,0]=4 5 B6R0.8 CCC(C)(Br)CC F20158 [1,0,0,0,0,0|3,0,0]=4 6 B6R0.8 CC[C@](C)(N)C#N 20939 [1,0,0,0,0,0|2,0,1]=4 7 B6R0.8 CC[C@](C)(N)CO D75057 [1,0,0,0,0,0|1,0,0]=2 8 B6R0.8 CC[C@](C)(O)CO D78587 [1,0,0,0,0,0|2,0,0]=3 9 B6R0.8 CSC(C)(C)CO AT13941 [1,0,0,0,0,0|3,0,0]=4 10 B6R0.8 C[C@](O)(CN)CO AT10630 [1,0,0,0,0,0|2,0,0]=3 11 B6R0.8 [2H]C([2H])(CO)CO D98164 [1,0,0,0,0,0|2,0,0]=3 12 B8R0.10 COC(CO)(CO)OC 11627 [0,1,0,0,0,0|3,0,0]=4 13 B8R1.52 N#C[C@]1(N)CCOC1 AC1740 [0,0,0,1,0,0|2,0,1]=4 14 B8R1.52 NC1(CO)CC=CC1 D75107 [0,0,0,1,0,0|2,0,0]=3 15 B8R1.52 NC[C@]1(O)CCOC1 W16059 [0,0,0,1,0,0|3,0,0]=4 16 B8R1.52 N[C@@]1(CO)CCNC1 AC5273 [0,0,0,1,0,0|2,0,0]=3 17 B8R1.52 N[C@@]1(CO)CCOC1 91976 [0,0,0,1,0,0|1,0,0]=2 18 B8R1.52 N[C@@]1(CO)CCSC1 AT23900 [0,0,0,1,0,0|1,1,0]=3 19 B8R1.52 OCC1(F)CCCC1 85748 [0,0,0,1,0,0|3,0,0]=4 20 B8R1.52 OC[C@]1(F)CCNC1 94889 [0,0,0,1,0,0|3,0,0]=4 21 B8R1.52 OC[C@]1(F)CCNC1 94890 [0,0,0,1,0,0|3,0,0]=4 22 B8R1.52 OC[C@]1(O)CCNC1 P13142 [0,0,0,1,0,0|3,0,0]=4 23 B8R1.60 CCC1(CI)COC1 C90202 [0,0,0,1,0,0|3,0,0]=4 24 B8R1.60 NCC1(CO)CCC1 C77767 [0,0,0,1,0,0|3,0,0]=4 25 B8R1.60 NCC1(CO)COC1 38615 [0,0,0,1,0,0|2,0,0]=3 26 B8R1.60 OCC1(CO)CNC1 AC6171 [0,0,0,1,0,0|2,0,0]=3 27 B5R0.3 C#C[C@@H](N)CO F30984 [2,0,0,0,0,0|1,0,1]=4 28 B5R0.3 CC(CI)CI AC4732 [2,0,0,0,0,0|2,0,0]=4 29 B5R0.3 CC[C@H](C)CBr D86395 [2,0,0,0,0,0|2,0,0]=4 30 B5R0.3 CC[C@H](C)CN 88661 [2,0,0,0,0,0|2,0,0]=4 31 B5R0.3 CC[C@H](C)CO 88660 [2,0,0,0,0,0|1,0,0]=3 32 B5R0.3 C[C@@H](CO)CBr C16753 [2,0,0,0,0,0|1,0,0]=3 33 B5R0.3 NC[C@H](F)CO AT21904 [2,0,0,0,0,0|2,0,0]=4 34 B5R0.3 O=C[C@@H](O)CO C15860 [2,0,0,0,0,0|0,0,2]=4 35 B5R0.3 O=C[C@@H](O)CO S10019 [2,0,0,0,0,0|0,0,2]=4 36 B5R0.3 OCC(F)CO AT19575 [2,0,0,0,0,0|1,0,0]=3 37 B5R0.4 CC(C)(N)CF AT13343 [2,0,0,0,0,0|1,0,0]=3 38 B5R0.4 CC(C)(N)CN F16110 [2,0,0,0,0,0|1,0,0]=3 39 B5R0.4 [2H]C(C)(C)CO D98435 [2,0,0,0,0,0|1,0,0]=3 40 B5R0.4 [2H]C([2H])(C)CO D98924 [2,0,0,0,0,0|2,0,0]=4 41 B7R0.11 C=CCC(C)(C)CO 68262 [1,1,0,0,0,0|2,0,0]=4 42 B7R0.11 CC(C)(CN)CCO AT20760 [1,1,0,0,0,0|2,0,0]=4 43 B7R0.11 CC(C)(CO)CC#N H11137 [1,1,0,0,0,0|2,0,0]=4 44 B7R0.13 CC(C)(CO)C(F)F AT13778 [1,1,0,0,0,0|2,0,0]=4 45 B7R0.13 CC(C)[C@@](C)(N)CO D75113 [1,1,0,0,0,0|1,0,0]=3 46 B7R0.13 CC[C@](C)(N)C(=O)O 75102 [1,1,0,0,0,0|1,0,1]=4 47 B7R0.15 NC[C@@H](CO)C(=O)O FD10273 [1,1,0,0,0,0|1,0,1]=4 48 B7R1.14 CC1(N)CCCC1 F50575 [1,0,0,1,0,0|2,0,0]=4 49 B7R1.14 C[C@]1(N)CCNC1 97388 [1,0,0,1,0,0|2,0,0]=4 50 B7R1.14 C[C@]1(N)CCOC1 AT12753 [1,0,0,1,0,0|1,0,0]=3 51 B7R1.14 C[C@]1(O)CNOC1 A50949 [1,0,0,1,0,0|2,0,0]=4 52 B7R1.14 C[C@]1(O)CNOC1 AT14854 [1,0,0,1,0,0|2,0,0]=4 53 B7R1.25 CC1(CO)CSC1 D75149 [1,0,0,1,0,0|1,1,0]=4 54 B7R1.25 CC1(CS)COC1 CS1170 [1,0,0,1,0,0|1,1,0]=4 55 B7R1.25 CCC1(N)CNC1 P11231 [1,0,0,1,0,0|2,0,0]=4 56 B7R1.25 CCC1(N)COC1 CS2262 [1,0,0,1,0,0|1,0,0]=3 57 B7R1.25 OCC1(F)CNC1 38894 [1,0,0,1,0,0|2,0,0]=4 58 B7R1.29 CCC1(CO)CC1 AT23872 [1,0,0,1,0,0|2,0,0]=4 59 B7R1.29 NCC1(CO)CC1 C77891 [1,0,0,1,0,0|2,0,0]=4 60 B7R1.1 ClC[C@H]1CCOC1 N12624 [1,0,0,1,0,0|2,0,0]=4 61 B7R1.1 NC[C@H]1CCOC1 68889 [1,0,0,1,0,0|2,0,0]=4 62 B7R1.8 OC[C@H]1CC[C@@H]1O D79582 [1,0,0,1,0,0|1,0,0]=3 63 B9R1.204 NCC1(CO)CCCC1 C78066 [0,1,0,1,0,0|2,0,0]=4 64 B9R1.118 NC1(CO)CCCCC1 AT12680 [0,1,0,1,0,0|2,0,0]=4 65 B9R1.118 NC1(CO)CCCCC1 AT12681 [0,1,0,1,0,0|2,0,0]=4 66 B9R1.118 NC1(CO)CCCCC1 D74962 [0,1,0,1,0,0|2,0,0]=4 67 B9R1.118 NC1(CO)CCNCC1 D75162 [0,1,0,1,0,0|2,0,0]=4 68 B9R1.134 NC1(CCO)CCCC1 F51936 [0,1,0,1,0,0|2,0,0]=4 69 B9R1.119 O=C(O)C1(CO)COC1 AC1691 [0,1,0,1,0,0|1,0,1]=4