0 B5R0.5 CC(=O)C(C)O A1243 [0,0,0,0,0,0|0,2,1]=3 1 B5R0.5 CC(Br)C(=O)O B18872 [0,0,0,0,0,0|2,1,1]=4 2 B5R0.5 CC(C)C(=N)N M12995 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.5 CC(C)C(N)=O I11048 [0,0,0,0,0,0|2,1,1]=4 4 B5R0.5 CC(Cl)C(=O)Cl C18873 [0,0,0,0,0,0|2,1,1]=4 5 B5R0.5 CC(O)C(=N)N H13779 [0,0,0,0,0,0|2,1,1]=4 6 B5R0.5 C[C@@H](Cl)C(=O)O C6128 [0,0,0,0,0,0|2,1,1]=4 7 B5R0.5 C[C@@H](N)C(=O)O A6086 [0,0,0,0,0,0|2,1,1]=4 8 B5R0.5 C[C@@H](O)C(=N)N H16733 [0,0,0,0,0,0|2,1,1]=4 9 B5R0.5 C[C@H](Cl)C(=O)O C4804 [0,0,0,0,0,0|2,1,1]=4 10 B5R0.5 C[C@H](N)C(N)=O A6327 [0,0,0,0,0,0|2,1,1]=4 11 B4R0.1 CCC(=N)N P12993 [1,0,0,0,0,0|2,0,1]=4 12 B4R0.1 CC[C@@H](C)O B4806 [1,0,0,0,0,0|0,1,0]=2 13 B4R0.1 CC[C@H](C)O B4805 [1,0,0,0,0,0|0,1,0]=2 14 B4R0.1 C[C@@H](Cl)CO C4812 [1,0,0,0,0,0|1,1,0]=3 15 B4R0.1 C[C@@H](N)CN D1041 [1,0,0,0,0,0|2,0,0]=3 16 B4R0.1 C[C@@H](N)CN D7317 [1,0,0,0,0,0|2,0,0]=3 17 B4R0.1 C[C@@H](N)CO A1425 [1,0,0,0,0,0|1,1,0]=3 18 B4R0.1 C[C@@H](O)CCl C4810 [1,0,0,0,0,0|1,1,0]=3 19 B4R0.1 C[C@@H](O)CCl C4810 [1,0,0,0,0,0|1,1,0]=3 20 B4R0.1 C[C@@H](O)CN A6198 [1,0,0,0,0,0|1,1,0]=3 21 B4R0.1 C[C@@H](O)CN A6198 [1,0,0,0,0,0|1,1,0]=3 22 B4R0.1 C[C@@H](O)CO P2644 [1,0,0,0,0,0|0,2,0]=3 23 B4R0.1 C[C@@H](O)CO P2644 [1,0,0,0,0,0|0,2,0]=3 24 B4R0.1 C[C@H](Cl)CO C4811 [1,0,0,0,0,0|1,1,0]=3 25 B4R0.1 C[C@H](N)CO A5008 [1,0,0,0,0,0|1,1,0]=3 26 B4R0.1 C[C@H](N)CO A5008 [1,0,0,0,0,0|1,1,0]=3 27 B4R0.1 C[C@H](O)CCl C4809 [1,0,0,0,0,0|1,1,0]=3 28 B4R0.1 C[C@H](O)CCl C4809 [1,0,0,0,0,0|1,1,0]=3 29 B4R0.1 C[C@H](O)CN A5854 [1,0,0,0,0,0|1,1,0]=3 30 B4R0.1 C[C@H](O)CO P6701 [1,0,0,0,0,0|0,2,0]=3 31 B6R0.3 CC(C)[C@@H](N)CO A5893 [0,1,0,0,0,0|2,0,0]=3 32 B6R0.3 CC(C)[C@H](N)CO V2118 [0,1,0,0,0,0|2,0,0]=3 33 B6R0.3 CC(C)[C@H](N)CO V2118 [0,1,0,0,0,0|2,0,0]=3 34 B6R0.3 COC(=O)[C@H](C)Cl M7191 [0,1,0,0,0,0|1,1,1]=4 35 B6R1.4 CN1CCC1N A18235 [0,0,0,1,0,0|3,0,0]=4 36 B6R1.11 CC(=O)C1CC1 C0960 [0,0,0,1,0,0|1,1,1]=4 37 B5R0.1 CCC[C@H](C)O P4807 [1,1,0,0,0,0|0,1,0]=3 38 B5R0.1 COC[C@@H](C)O M5850 [1,1,0,0,0,0|0,1,0]=3 39 B5R0.1 COC[C@H](C)O M5856 [1,1,0,0,0,0|0,1,0]=3 40 B5R0.3 CC(CN)CO A15437 [1,1,0,0,0,0|1,1,0]=4 41 B5R0.3 ClCC(Br)CBr D10531 [1,1,0,0,0,0|2,0,0]=4 42 B5R0.3 NC[C@@H](O)CO A4797 [1,1,0,0,0,0|0,2,0]=4 43 B5R0.3 NC[C@H](O)CO P6783 [1,1,0,0,0,0|0,2,0]=4 44 B5R0.3 NC[C@H](O)CO P6783 [1,1,0,0,0,0|0,2,0]=4 45 B5R0.3 OC[C@@H](O)CCl C4763 [1,1,0,0,0,0|0,2,0]=4 46 B5R0.3 OC[C@@H](O)CCl C4763 [1,1,0,0,0,0|0,2,0]=4 47 B5R0.3 OC[C@H](O)CCl C4762 [1,1,0,0,0,0|0,2,0]=4 48 B5R0.3 OC[C@H](O)CCl C4762 [1,1,0,0,0,0|0,2,0]=4 49 B7R0.2 CC(C)C[C@H](N)CO L2031 [0,1,0,0,0,1|2,0,0]=4 50 B7R0.10 OCC(Br)C(Br)CO D1412 [0,2,0,0,0,0|2,0,0]=4 51 B7R0.10 OC[C@H](O)[C@H](O)CO E19244 [0,2,0,0,0,0|0,2,0]=4 52 B7R0.14 CC(C)(C)C(O)CN A14344 [0,2,0,0,0,0|1,1,0]=4 53 B7R0.17 CC(C)(O)C(C)(C)O P18792 [0,2,0,0,0,0|0,2,0]=4 54 B5R1.2 ClC1CCC1 C18781 [1,0,0,1,0,0|1,0,0]=3 55 B5R1.2 FC1CNC1 F12347 [1,0,0,1,0,0|2,0,0]=4 56 B5R1.2 FC1CNC1 F12347 [1,0,0,1,0,0|2,0,0]=4 57 B5R1.2 NC1CCC1 A18148 [1,0,0,1,0,0|1,0,0]=3 58 B5R1.2 NC1CNC1 A13816 [1,0,0,1,0,0|2,0,0]=4 59 B5R1.2 O=C1CCC1 C17719 [1,0,0,1,0,0|0,1,1]=4 60 B5R1.2 OC1CNC1 H11075 [1,0,0,1,0,0|1,1,0]=4 61 B5R1.3 BrCC1CC1 C1292 [1,0,0,1,0,0|2,0,0]=4 62 B5R1.3 ClC[C@@H]1CO1 E4755 [1,0,0,1,0,0|1,1,0]=4 63 B5R1.3 ClC[C@@H]1CO1 E4755 [1,0,0,1,0,0|1,1,0]=4 64 B5R1.3 ClC[C@H]1CO1 E4754 [1,0,0,1,0,0|1,1,0]=4 65 B5R1.3 NCC1CC1 C2241 [1,0,0,1,0,0|2,0,0]=4 66 B5R1.3 NCC1CC1 C2241 [1,0,0,1,0,0|2,0,0]=4 67 B5R1.3 OC[C@@H]1CO1 G4757 [1,0,0,1,0,0|0,2,0]=4 68 B5R1.3 OC[C@H]1CO1 G4756 [1,0,0,1,0,0|0,2,0]=4 69 B5R1.3 OC[C@H]1CO1 G4756 [1,0,0,1,0,0|0,2,0]=4 70 B5R1.4 CC1OC1C E1498 [1,0,0,1,0,0|0,1,0]=3 71 B7R1.2 OC1CCC(O)C1 C18885 [0,0,0,1,0,1|0,2,0]=4 72 B7R1.4 CC1OCCC1S T12619 [0,1,0,1,0,0|0,1,0]=3 73 B7R1.4 N[C@@H]1CCC[C@H]1O A4082 [0,1,0,1,0,0|1,1,0]=4 74 B7R1.4 N[C@@H]1CCC[C@H]1O A4082 [0,1,0,1,0,0|1,1,0]=4 75 B7R1.4 N[C@H]1CCC[C@@H]1O A13715 [0,1,0,1,0,0|1,1,0]=4 76 B7R1.4 N[C@H]1COC[C@@H]1O A15394 [0,1,0,1,0,0|1,1,0]=4 77 B7R1.23 CC1(C)CC1C#N D2246 [0,1,0,1,0,0|2,0,0]=4 78 B7R0.6 C[C@H](O)CC[C@H](C)O H5146 [0,0,0,0,0,2|0,2,0]=4