0 B5R0.5 B(C(C)C)(O)O AB08847 [0,0,0,0,0,0|2,1,0]=3 1 B5R0.5 CC(C(=O)N)N AB43014 [0,0,0,0,0,0|2,1,1]=4 2 B5R0.5 CC(C)C(=N)N AB07702 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.5 CC(C)C(=S)N AB32169 [0,0,0,0,0,0|1,0,2]=3 4 B5R0.5 C[C@@H](C(=O)O)Br AB03774 [0,0,0,0,0,0|2,1,1]=4 5 B5R0.5 C[C@@H](C(=O)O)N AB02601 [0,0,0,0,0,0|2,1,1]=4 6 B4R0.1 B(CC)(O)O AB08033 [1,0,0,0,0,0|2,1,0]=4 7 B4R0.1 CCC(=N)N AB07703 [1,0,0,0,0,0|2,0,1]=4 8 B4R0.1 C\C=C(/C)\Br AB00105 [1,0,0,0,0,0|1,0,2]=4 9 B6R0.3 B(C(C)CC)(O)O AB25482 [0,1,0,0,0,0|2,1,0]=4 10 B6R0.3 CC(C)C(=N)NN AB56371 [0,1,0,0,0,0|2,0,1]=4 11 B6R0.3 CC(C)C(=O)NN PB30560 [0,1,0,0,0,0|1,1,1]=4 12 B6R0.3 CC(C)C(C#N)O AB07208 [0,1,0,0,0,0|0,1,1]=3 13 B6R0.3 CC(CN)C(=O)O AB00933 [0,1,0,0,0,0|1,1,1]=4 14 B6R0.3 C[C@@H](C(=O)OC)N AB02553 [0,1,0,0,0,0|1,1,1]=4 15 B6R0.3 C[C@@H](CN)C(=O)O AB35706 [0,1,0,0,0,0|1,1,1]=4 16 B6R0.3 C[C@H](CN)C(=O)O AB08204 [0,1,0,0,0,0|1,1,1]=4 17 B6R0.7 CC(C(F)(F)F)N AB21256 [0,1,0,0,0,0|3,0,0]=4 18 B6R0.7 CC(C)(C(=O)N)Br MB05789 [0,1,0,0,0,0|1,1,1]=4 19 B6R0.7 CC(C)(C(=O)O)N AB00918 [0,1,0,0,0,0|1,1,1]=4 20 B6R0.7 CC(C)(C)C(=N)N AB02164 [0,1,0,0,0,0|2,0,1]=4 21 B6R0.7 CC(C)(C)S(=O)N PB24744 [0,1,0,0,0,0|2,1,0]=4 22 B6R0.7 C[C@@H](C(C)(C)O)N MB19778 [0,1,0,0,0,0|1,0,0]=2 23 B6R1.4 CC1C(CN1)O PB39176 [0,0,0,1,0,0|1,1,0]=3 24 B6R1.9 C1C(C1(F)F)N AB68664 [0,0,0,1,0,0|3,0,0]=4 25 B6R1.11 B(C1CC1)(O)O AB17174 [0,0,0,1,0,0|2,1,0]=4 26 B6R1.11 C1CC1C(=S)N AB50595 [0,0,0,1,0,0|1,0,2]=4 27 B6R0.2 B(CC(C)C)(O)O AB03722 [0,0,0,0,0,1|2,1,0]=4 28 B6R0.2 CC(C)CC(=N)N AB60903 [0,0,0,0,0,1|2,0,1]=4 29 B6R0.2 CC(C)CC(=S)N AB52630 [0,0,0,0,0,1|1,0,2]=4 30 B6R0.2 CC(C)O[N+](=O)[O-] AB00827 [0,0,0,0,0,1|2,1,0]=4 31 B3R0.1 C(CCl)N AB03778 [2,0,0,0,0,0|2,0,0]=4 32 B3R0.2 C[S+](C)C AB01061 [2,0,0,0,0,0|1,0,0]=3 33 B5R0.1 C(CN)C(F)F AB65227 [1,1,0,0,0,0|2,0,0]=4 34 B5R0.1 C(CO)C(F)F AB76811 [1,1,0,0,0,0|2,0,0]=4 35 B5R0.1 CC#CN(C)C AB76935 [1,1,0,0,0,0|1,0,1]=4 36 B5R0.1 CC(C)N=C=O AB00193 [1,1,0,0,0,0|0,1,1]=4 37 B5R0.3 C[C@@H](CO)NC AB31545 [1,1,0,0,0,0|0,1,0]=3 38 B5R0.4 CC(C)(C)[N+]#[C-] AB32563 [1,1,0,0,0,0|1,0,1]=4 39 B5R0.4 C[Si](C)(C)CO CB10021 [1,1,0,0,0,0|0,2,0]=4 40 B7R0.5 CC(C)C(=O)CC#N AB22304 [0,2,0,0,0,0|0,1,1]=4 41 B7R0.5 CC(C)C(CCO)N AB31007 [0,2,0,0,0,0|1,0,0]=3 42 B7R0.10 C([C@@H]([C@H](CO)N)N)O MB06933 [0,2,0,0,0,0|2,0,0]=4 43 B7R0.10 C([C@H]([C@@H](CO)N)N)O MB06944 [0,2,0,0,0,0|2,0,0]=4 44 B7R0.14 CC(C)(C(=O)OC)F AB13921 [0,2,0,0,0,0|0,1,1]=4 45 B7R0.14 CC(C)(C)C(=O)CN AB29945 [0,2,0,0,0,0|0,1,1]=4 46 B7R0.14 CC(C)(C)N(C)C#N MB19782 [0,2,0,0,0,0|2,0,0]=4 47 B7R0.15 CC(C(OC)OC)Br AB64104 [0,2,0,0,0,0|1,0,0]=3 48 B5R1.2 C1C(=O)CS1 PB29880 [1,0,0,1,0,0|1,0,1]=4 49 B5R1.2 C1C(CN1)N PB22346 [1,0,0,1,0,0|2,0,0]=4 50 B5R1.2 C1C(CN1)O PB18565 [1,0,0,1,0,0|1,1,0]=4 51 B5R1.2 C1C(CN1)S PB18372 [1,0,0,1,0,0|1,0,0]=3 52 B5R1.2 C1C(CO1)Br PB32639 [1,0,0,1,0,0|1,1,0]=4 53 B5R1.2 C1C(CO1)Cl PB33445 [1,0,0,1,0,0|1,1,0]=4 54 B5R1.2 C1C(CO1)F AB71732 [1,0,0,1,0,0|1,1,0]=4 55 B5R1.2 C1C(CO1)I PB20276 [1,0,0,1,0,0|1,1,0]=4 56 B5R1.2 C1C(CO1)N MB07029 [1,0,0,1,0,0|1,1,0]=4 57 B5R1.2 C1C(CO1)N PB31297 [1,0,0,1,0,0|1,1,0]=4 58 B5R1.2 C1C(CO1)O PB25111 [1,0,0,1,0,0|1,1,0]=4 59 B5R1.2 C1C(CO1)S PB31940 [1,0,0,1,0,0|1,0,0]=3 60 B5R1.2 C1C(CS1)N PB11400 [1,0,0,1,0,0|1,0,0]=3 61 B5R1.2 CC1CNC1 PB16157 [1,0,0,1,0,0|1,0,0]=3 62 B5R1.3 CNC1CC1 PB16260 [1,0,0,1,0,0|1,0,0]=3 63 B7R1.2 C1CC(CC1N)O PB13684 [0,0,0,1,0,1|1,1,0]=4 64 B7R1.2 C1C[C@H](C[C@@H]1N)O PB16975 [0,0,0,1,0,1|1,1,0]=4 65 B7R1.2 C1C[C@H](C[C@H]1N)O MB10639 [0,0,0,1,0,1|1,1,0]=4 66 B7R1.2 C1C[C@H](C[C@H]1N)O PB11774 [0,0,0,1,0,1|1,1,0]=4 67 B7R1.2 CN1CCC(C1)Br AB65769 [0,0,0,1,0,1|2,0,0]=4 68 B7R1.2 CN1CCC(C1)N PB22385 [0,0,0,1,0,1|2,0,0]=4 69 B7R1.2 CN1CCC(C1)O PB32059 [0,0,0,1,0,1|1,1,0]=4 70 B7R1.2 CN1CC[C@@H](C1)N PB14641 [0,0,0,1,0,1|2,0,0]=4 71 B7R1.2 CN1CC[C@H](C1)N PB34450 [0,0,0,1,0,1|2,0,0]=4 72 B7R1.2 CN1CC[C@H](C1)O PB17320 [0,0,0,1,0,1|1,1,0]=4 73 B7R1.16 CC1(CC(C1)O)N PB38639 [0,0,0,1,0,1|1,1,0]=4 74 B7R1.16 C[C@]1(C[C@@H](C1)N)O PB37614 [0,0,0,1,0,1|1,1,0]=4 75 B7R1.16 C[C@]1(C[C@@H](C1)O)N PB37848 [0,0,0,1,0,1|1,1,0]=4 76 B7R1.16 C[C@]1(C[C@H](C1)N)O PB38993 [0,0,0,1,0,1|1,1,0]=4 77 B7R1.16 C[C@]1(C[C@H](C1)O)N PB36691 [0,0,0,1,0,1|1,1,0]=4 78 B7R1.4 C1C[C@@H]([C@H](C1)O)N AB12529 [0,1,0,1,0,0|1,1,0]=4 79 B7R1.4 C1C[C@@H]([C@H](C1)O)N AB46088 [0,1,0,1,0,0|1,1,0]=4 80 B7R1.4 C1C[C@H]([C@H](C1)O)N AB30961 [0,1,0,1,0,0|1,1,0]=4 81 B7R1.4 C1C[C@H]([C@H](C1)O)N AB49868 [0,1,0,1,0,0|1,1,0]=4 82 B7R1.4 C1[C@@H]([C@H](CN1)F)F PB37373 [0,1,0,1,0,0|2,0,0]=4 83 B7R1.4 C1[C@@H]([C@H](CN1)O)O PB16044 [0,1,0,1,0,0|1,1,0]=4 84 B7R1.4 C1[C@@H]([C@H](CO1)N)N PB38160 [0,1,0,1,0,0|2,0,0]=4 85 B7R1.4 C1[C@@H]([C@H](CO1)N)N PB38162 [0,1,0,1,0,0|2,0,0]=4 86 B7R1.4 C1[C@H]([C@@H](CN1)F)O PB36321 [0,1,0,1,0,0|1,1,0]=4 87 B7R1.4 C1[C@H]([C@@H](CN1)O)O PB26398 [0,1,0,1,0,0|1,1,0]=4 88 B7R1.4 C1[C@H]([C@@H](CO1)N)N PB19676 [0,1,0,1,0,0|2,0,0]=4 89 B7R1.4 C1[C@H]([C@H](CN1)F)F PB36231 [0,1,0,1,0,0|2,0,0]=4 90 B7R1.4 C1[C@H]([C@H](CN1)O)O PB35093 [0,1,0,1,0,0|1,1,0]=4 91 B7R1.4 C1[C@H]([C@H](CO1)N)N PB18249 [0,1,0,1,0,0|2,0,0]=4 92 B7R1.8 C1CC(=O)C1CO PB37542 [0,1,0,1,0,0|0,1,1]=4 93 B7R1.8 CN1CCC1CN PB37073 [0,1,0,1,0,0|2,0,0]=4 94 B7R1.8 CN1CC[C@@H]1CN PB35830 [0,1,0,1,0,0|2,0,0]=4 95 B7R1.8 CN1CC[C@H]1CN PB38844 [0,1,0,1,0,0|2,0,0]=4 96 B7R1.18 CC(C1CCC1)O CB10183 [0,1,0,1,0,0|0,1,0]=3 97 B7R1.18 CN(C)C1CNC1 PB29633 [0,1,0,1,0,0|2,0,0]=4 98 B7R1.22 C1CC1C(=O)CBr AB45693 [0,1,0,1,0,0|0,1,1]=4 99 B7R1.23 C1C(C1(F)F)CBr AB29725 [0,1,0,1,0,0|2,0,0]=4 100 B7R1.23 C1C(C1(F)F)CN AB68662 [0,1,0,1,0,0|2,0,0]=4