0 B5R0.3 C=C(CCl)CCl C19303 [0,0,0,0,0,0|3,0,0]=3 1 B5R0.3 C=C[C@H](N)CO A18275 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.3 CC(CN)CO A15437 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.3 COC(=O)CN G18901 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.3 ClCC(Br)CBr D10531 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.3 NC[C@@H](O)CO A4797 [0,0,0,0,0,0|1,0,2]=3 6 B5R0.3 NC[C@H](O)CO P6783 [0,0,0,0,0,0|1,0,2]=3 7 B5R0.3 NC[C@H](O)CO P6783 [0,0,0,0,0,0|1,0,2]=3 8 B5R0.3 N\C(CF)=N\O F14052 [0,0,0,0,0,0|3,0,0]=3 9 B5R0.3 OC[C@@H](O)CCl C4763 [0,0,0,0,0,0|1,0,2]=3 10 B5R0.3 OC[C@@H](O)CCl C4763 [0,0,0,0,0,0|1,0,2]=3 11 B5R0.3 OC[C@H](O)CCl C4762 [0,0,0,0,0,0|1,0,2]=3 12 B5R0.3 OC[C@H](O)CCl C4762 [0,0,0,0,0,0|1,0,2]=3 13 B4R0.1 CC(=O)NO A3293 [1,0,0,0,0,0|1,0,0]=2 14 B4R0.1 CC(N)=NN A13105 [1,0,0,0,0,0|3,0,0]=4 15 B4R0.1 CCC(=N)N P12993 [1,0,0,0,0,0|3,0,0]=4 16 B4R0.1 CC[C@@H](C)O B4806 [1,0,0,0,0,0|1,0,2]=4 17 B4R0.1 CC[C@H](C)O B4805 [1,0,0,0,0,0|1,0,2]=4 18 B4R0.1 C[C@@H](Cl)CO C4812 [1,0,0,0,0,0|1,0,1]=3 19 B4R0.1 C[C@@H](N)CN D1041 [1,0,0,0,0,0|2,0,1]=4 20 B4R0.1 C[C@@H](N)CN D7317 [1,0,0,0,0,0|2,0,1]=4 21 B4R0.1 C[C@@H](N)CO A1425 [1,0,0,0,0,0|1,0,1]=3 22 B4R0.1 C[C@@H](O)CCl C4810 [1,0,0,0,0,0|1,0,2]=4 23 B4R0.1 C[C@@H](O)CCl C4810 [1,0,0,0,0,0|1,0,2]=4 24 B4R0.1 C[C@@H](O)CN A6198 [1,0,0,0,0,0|1,0,2]=4 25 B4R0.1 C[C@@H](O)CN A6198 [1,0,0,0,0,0|1,0,2]=4 26 B4R0.1 C[C@@H](O)CO P2644 [1,0,0,0,0,0|0,0,2]=3 27 B4R0.1 C[C@@H](O)CO P2644 [1,0,0,0,0,0|0,0,2]=3 28 B4R0.1 C[C@H](Cl)CO C4811 [1,0,0,0,0,0|1,0,1]=3 29 B4R0.1 C[C@H](N)CO A5008 [1,0,0,0,0,0|1,0,1]=3 30 B4R0.1 C[C@H](N)CO A5008 [1,0,0,0,0,0|1,0,1]=3 31 B4R0.1 C[C@H](O)CCl C4809 [1,0,0,0,0,0|1,0,2]=4 32 B4R0.1 C[C@H](O)CCl C4809 [1,0,0,0,0,0|1,0,2]=4 33 B4R0.1 C[C@H](O)CN A5854 [1,0,0,0,0,0|1,0,2]=4 34 B4R0.1 C[C@H](O)CO P6701 [1,0,0,0,0,0|0,0,2]=3 35 B4R0.1 C\C(N)=N\O H13104 [1,0,0,0,0,0|2,0,0]=3 36 B4R0.1 N=C(N)CF F14053 [1,0,0,0,0,0|3,0,0]=4 37 B4R0.1 N=C(N)CN A17678 [1,0,0,0,0,0|3,0,0]=4 38 B4R0.1 NC(=O)NO H13275 [1,0,0,0,0,0|2,0,0]=3 39 B4R0.2 BrCCCBr D18864 [1,0,0,0,0,0|2,0,1]=4 40 B4R0.2 NCCCCl C18780 [1,0,0,0,0,0|2,0,1]=4 41 B4R0.2 NCCCO A18882 [1,0,0,0,0,0|1,0,1]=3 42 B4R0.2 NNCCO H13045 [1,0,0,0,0,0|2,0,1]=4 43 B6R0.1 C=CC(=O)CCC H17062 [0,1,0,0,0,0|2,0,1]=4 44 B6R0.1 C=CC\C(N)=N\O H13122 [0,1,0,0,0,0|3,0,0]=4 45 B6R0.1 CCCC(N)CO A18883 [0,1,0,0,0,0|2,0,1]=4 46 B6R0.1 CCC\C(N)=N/O H14022 [0,1,0,0,0,0|3,0,0]=4 47 B6R0.1 CCOC(=O)CN A14488 [0,1,0,0,0,0|2,0,0]=3 48 B6R0.1 CCO\C(C)=N/O H17707 [0,1,0,0,0,0|3,0,0]=4 49 B6R0.1 CNCC(=O)OC M5408 [0,1,0,0,0,0|3,0,0]=4 50 B6R0.1 COCC(N)CO A15709 [0,1,0,0,0,0|1,0,1]=3 51 B6R0.1 COCC(O)CN A13295 [0,1,0,0,0,0|1,0,2]=4 52 B6R0.1 COC[C@H](O)CN A15357 [0,1,0,0,0,0|1,0,2]=4 53 B6R0.1 COC\C(N)=N/O H13783 [0,1,0,0,0,0|2,0,0]=3 54 B6R0.1 N#CCC(=O)NN C5401 [0,1,0,0,0,0|3,0,0]=4 55 B6R0.1 N\C(CCCl)=N/O C13124 [0,1,0,0,0,0|3,0,0]=4 56 B6R0.1 N\C(CCO)=N/O D13760 [0,1,0,0,0,0|2,0,0]=3 57 B6R0.1 OCC[C@@H](O)CO B7203 [0,1,0,0,0,0|0,0,2]=3 58 B6R0.1 [C-]#[N+]CC(=O)OC M14376 [0,1,0,0,0,0|3,0,0]=4 59 B6R0.3 CC(C)[C@@H](N)CO A5893 [0,1,0,0,0,0|2,0,1]=4 60 B6R0.3 CC(C)[C@H](N)CO V2118 [0,1,0,0,0,0|2,0,1]=4 61 B6R0.3 CC(C)[C@H](N)CO V2118 [0,1,0,0,0,0|2,0,1]=4 62 B6R0.3 CC(C)\C(N)=N\O H12994 [0,1,0,0,0,0|3,0,0]=4 63 B6R0.3 CC(O)\C(N)=N/O D13759 [0,1,0,0,0,0|2,0,0]=3 64 B6R0.3 COC(=O)[C@H](C)Cl M7191 [0,1,0,0,0,0|3,0,0]=4 65 B6R0.3 N[C@H](CO)C(=O)O S5985 [0,1,0,0,0,0|1,0,2]=4 66 B6R1.2 N[C@H]1CCOC1 A19174 [0,0,0,1,0,0|2,0,1]=4 67 B6R1.2 O=C1C=CCC1 C18886 [0,0,0,1,0,0|2,0,1]=4 68 B6R1.2 O=C1CCSC1 T11319 [0,0,0,1,0,0|1,1,0]=3 69 B6R1.2 O=C1CC[NH2+]N1 P12961 [0,0,0,1,0,0|3,0,0]=4 70 B6R1.2 O[C@@H]1CCOC1 H7200 [0,0,0,1,0,0|1,0,2]=4 71 B6R1.2 O[C@H]1CCOC1 H2612 [0,0,0,1,0,0|1,0,2]=4 72 B6R1.6 OCC1CNC1 A19210 [0,0,0,1,0,0|2,0,1]=4 73 B6R1.6 OC[C@@H]1CCN1 A19140 [0,0,0,1,0,0|2,0,1]=4 74 B6R1.7 NC1(CO)CC1 A7278 [0,0,0,1,0,0|2,0,1]=4 75 B6R1.7 NC1(CO)CC1 F06470 [0,0,0,1,0,0|2,0,1]=4 76 B6R1.7 NC1(CO)CC1 F06470 [0,0,0,1,0,0|2,0,1]=4 77 B3R0.2 CC(=N)N A12781 [2,0,0,0,0,0|2,0,0]=4 78 B5R0.1 CCCC(=O)O B18853 [1,1,0,0,0,0|1,0,0]=3 79 B5R0.1 CNCC(=O)O S18803 [1,1,0,0,0,0|1,0,0]=3 80 B5R0.1 COCC(=N)N M13846 [1,1,0,0,0,0|2,0,0]=4 81 B5R0.1 COC[C@@H](C)O M5850 [1,1,0,0,0,0|0,0,2]=4 82 B5R0.1 COC[C@H](C)O M5856 [1,1,0,0,0,0|0,0,2]=4 83 B5R0.1 C\C(I)=C\CI D16723 [1,1,0,0,0,0|2,0,0]=4 84 B5R0.1 N#CCC(N)=O C0404 [1,1,0,0,0,0|2,0,0]=4 85 B5R0.5 CC(=O)C(C)O A1243 [1,1,0,0,0,0|0,0,0]=2 86 B5R0.5 CC(Br)C(=O)O B18872 [1,1,0,0,0,0|1,0,0]=3 87 B5R0.5 CC(C)C(N)=O I11048 [1,1,0,0,0,0|2,0,0]=4 88 B5R0.5 CC(Cl)C(=O)Cl C18873 [1,1,0,0,0,0|2,0,0]=4 89 B5R0.5 CC(O)C(=N)N H13779 [1,1,0,0,0,0|2,0,0]=4 90 B5R0.5 C[C@@H](Cl)C(=O)O C6128 [1,1,0,0,0,0|1,0,0]=3 91 B5R0.5 C[C@@H](N)C(=O)O A6086 [1,1,0,0,0,0|1,0,0]=3 92 B5R0.5 C[C@@H](O)C(=N)N H16733 [1,1,0,0,0,0|2,0,0]=4 93 B5R0.5 C[C@H](Cl)C(=O)O C4804 [1,1,0,0,0,0|1,0,0]=3 94 B5R0.5 C[C@H](N)C(N)=O A6327 [1,1,0,0,0,0|2,0,0]=4 95 B5R0.5 O=C([O-])C(Cl)Cl S19114 [1,1,0,0,0,0|1,0,1]=4 96 B5R0.2 NCCCCO A18122 [1,1,0,0,0,0|1,0,1]=4 97 B5R0.2 OCCCCBr B18469 [1,1,0,0,0,0|1,0,1]=4 98 B7R0.2 NCC(=O)O[AlH3](O)O A1184 [0,2,0,0,0,0|2,0,0]=4 99 B7R0.2 NCC(=O)O[AlH3](O)O A1184 [0,2,0,0,0,0|2,0,0]=4 100 B7R0.2 N[C@H](CO)CC(=O)O A12916 [0,2,0,0,0,0|1,0,1]=4 101 B7R0.2 [NH3+][C@@H](CO)CC(=O)O H13159 [0,2,0,0,0,0|1,0,1]=4 102 B7R0.2 [NH3+][C@@H](CO)CC(=O)O H13159 [0,2,0,0,0,0|1,0,1]=4 103 B7R0.3 COCC\C(N)=N/O H13784 [0,2,0,0,0,0|2,0,0]=4 104 B7R0.5 CCOC(=O)C(F)Br E1920 [0,2,0,0,0,0|2,0,0]=4 105 B7R0.5 CCOC(=O)C(F)F E5215 [0,2,0,0,0,0|2,0,0]=4 106 B7R0.7 COCC(=O)COC D12730 [0,2,0,0,0,0|0,0,0]=2 107 B7R0.7 COCC(Cl)COC C16846 [0,2,0,0,0,0|1,0,1]=4 108 B7R0.7 COCC(N)COC A13333 [0,2,0,0,0,0|1,0,1]=4 109 B7R0.7 COCC(O)COC D12731 [0,2,0,0,0,0|0,0,2]=4 110 B7R0.7 [C-]#[N+]CC(=O)OCC E14341 [0,2,0,0,0,0|2,0,0]=4 111 B7R0.10 OCC(Br)C(Br)CO D1412 [0,2,0,0,0,0|1,0,1]=4 112 B7R0.10 OC[C@H](O)[C@H](O)CO E19244 [0,2,0,0,0,0|0,0,2]=4 113 B5R1.2 O=C1CCC1 C17719 [1,0,0,1,0,0|1,0,0]=3 114 B5R1.2 O=C1CCN1 A18280 [1,0,0,1,0,0|2,0,0]=4 115 B5R1.2 O=C1COC1 O19064 [1,0,0,1,0,0|0,0,0]=2 116 B5R1.3 OC[C@@H]1CO1 G4757 [1,0,0,1,0,0|0,0,2]=4 117 B5R1.3 OC[C@H]1CO1 G4756 [1,0,0,1,0,0|0,0,2]=4 118 B5R1.3 OC[C@H]1CO1 G4756 [1,0,0,1,0,0|0,0,2]=4 119 B7R1.2 O=C1CCC(=O)C1 C13983 [0,1,0,1,0,0|1,0,1]=4 120 B7R1.2 O=C1C[C@@H](O)CO1 H7194 [0,1,0,1,0,0|2,0,0]=4 121 B7R1.2 O=C1C[C@H](O)CN1 H2610 [0,1,0,1,0,0|2,0,0]=4 122 B7R1.2 O=C1C[C@H](O)CN1 H2610 [0,1,0,1,0,0|2,0,0]=4 123 B7R1.2 O=C1C[C@H](O)CO1 H2611 [0,1,0,1,0,0|2,0,0]=4 124 B7R1.3 O=C1CCNCC1 P3649 [0,1,0,1,0,0|2,0,0]=4 125 B7R1.3 O=C1CCNCC1 P7276 [0,1,0,1,0,0|2,0,0]=4 126 B7R1.3 O=C1CCOCC1 T11055 [0,1,0,1,0,0|1,0,0]=3 127 B7R1.3 O=C1CNCCN1 P12440 [0,1,0,1,0,0|2,0,0]=4 128 B7R1.4 CC1OCCC1=O M5424 [0,1,0,1,0,0|1,0,0]=3 129 B7R1.4 N[C@@H]1CONC1=O C5656 [0,1,0,1,0,0|2,0,0]=4 130 B7R1.4 N[C@H]1COC[C@@H]1O A15394 [0,1,0,1,0,0|1,0,1]=4 131 B7R1.4 O=C1OCCC1Br B11067 [0,1,0,1,0,0|2,0,0]=4 132 B7R1.29 OCC1(CO)CC1 C11353 [0,1,0,1,0,0|1,0,1]=4