0 B7R1.4 CC1=C(S)CCO1 R544 [0,0,0,0,0,0|0,1,1]=2 1 B7R1.4 C[C@@H]1CCC[C@H]1O S086 [0,0,0,0,0,0|1,0,2]=3 2 B7R1.4 NC1=CCOC1=O 3957AB [0,0,0,0,0,0|2,0,2]=4 3 B7R1.4 NC1CCNC1=O W4818 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.4 N[C@@H]1CCC[C@H]1N X3520 [0,0,0,0,0,0|3,0,1]=4 5 B7R1.4 N[C@@H]1CCC[C@H]1O 0541AC [0,0,0,0,0,0|2,0,2]=4 6 B7R1.4 N[C@@H]1CCNC1=O 1294AB [0,0,0,0,0,0|3,0,0]=3 7 B7R1.4 N[C@H]1CCNC1=O 5681AB [0,0,0,0,0,0|3,0,0]=3 8 B7R1.4 O=C1OCC=C1Br 1872AC [0,0,0,0,0,0|2,0,2]=4 9 B7R1.4 O=C1O[Ba]OC1=O 6788AF [0,0,0,0,0,0|3,0,1]=4 10 B7R1.4 O=C1O[Ca]OC1=O 6793AF [0,0,0,0,0,0|3,0,1]=4 11 B7R1.4 O=C1O[Cu]OC1=O 6805AF [0,0,0,0,0,0|3,0,1]=4 12 B7R1.4 O=C1O[Mn]OC1=O 6901AF [0,0,0,0,0,0|3,0,1]=4 13 B7R1.4 O=C1O[PbH2]OC1=O Z1767 [0,0,0,0,0,0|3,0,1]=4 14 B7R1.4 O=C1O[Sr]OC1=O 6917AF [0,0,0,0,0,0|3,0,1]=4 15 B7R1.4 O=C1O[Zn]OC1=O 6920AF [0,0,0,0,0,0|3,0,1]=4 16 B6R1.2 CC1=[C-]CC=C1 Y1619 [1,0,0,0,0,0|1,0,2]=4 17 B6R1.2 CC1C=COC1 8769AA [1,0,0,0,0,0|2,0,1]=4 18 B6R1.2 ClC1CCNC1 X3739 [1,0,0,0,0,0|2,0,1]=4 19 B6R1.2 NC1CCCC1 0142AP [1,0,0,0,0,0|2,0,1]=4 20 B6R1.2 NN1CCCC1 9623AB [1,0,0,0,0,0|3,0,0]=4 21 B6R1.2 O=C1C=CNC1 8696AB [1,0,0,0,0,0|1,0,2]=4 22 B6R1.2 O=C1CC=CN1 2602AB [1,0,0,0,0,0|2,0,1]=4 23 B6R1.2 O=C1CCNC1 R079 [1,0,0,0,0,0|1,0,0]=2 24 B6R1.2 O=C1CS[Ca]O1 7318AL [1,0,0,0,0,0|2,1,0]=4 25 B6R1.2 OC1CCCO1 5572AJ [1,0,0,0,0,0|1,0,1]=3 26 B8R1.18 CC1=NC(C)OC1C L046 [0,1,0,0,0,0|2,0,0]=3 27 B8R1.18 C[C@H]1NC(=O)NC1=O 2120AH [0,1,0,0,0,0|2,0,1]=4 28 B8R1.50 CC1=C(O)C(=O)CC1 5650AL [0,1,0,0,0,0|2,0,1]=4 29 B8R1.50 CC1CCC(=O)N1C 0337AQ [0,1,0,0,0,0|2,0,0]=3 30 B6R0.1 CCCC(N)CC 7574AF [0,0,1,0,0,0|2,0,1]=4 31 B6R0.1 CCC[C@@H](C)CO N835 [0,0,1,0,0,0|1,0,2]=4 32 B6R0.1 CCN(C)CCO Z5820 [0,0,1,0,0,0|2,0,0]=3 33 B6R0.1 CCOC(=O)CF C411 [0,0,1,0,0,0|3,0,0]=4 34 B6R0.1 CCOC(Br)CBr V0731 [0,0,1,0,0,0|2,0,1]=4 35 B6R0.1 COC(=O)CCN 5700AB [0,0,1,0,0,0|2,0,0]=3 36 B6R0.1 OCC[C@@H](O)CCl Z2057 [0,0,1,0,0,0|1,0,2]=4 37 B6R0.1 OCC[C@H](O)CCl Z2061 [0,0,1,0,0,0|1,0,2]=4 38 B6R0.3 C=C(C)C(=O)OC P536 [0,0,1,0,0,0|2,0,1]=4 39 B6R0.3 C=C(C)C(C)CC 7776AF [0,0,1,0,0,0|2,0,0]=3 40 B6R0.3 CC(O)C(=O)O[Ag] 7026AF [0,0,1,0,0,0|2,0,0]=3 41 B6R0.3 CC(O)C(=O)O[Ag] 7027AF [0,0,1,0,0,0|2,0,0]=3 42 B6R0.3 CC[C@H](C)C(=O)O Z9667 [0,0,1,0,0,0|2,0,0]=3 43 B6R0.3 COC(=O)C(C)N X3707 [0,0,1,0,0,0|2,0,0]=3 44 B6R0.3 COC(=O)C(N)=O L906 [0,0,1,0,0,0|2,0,1]=4 45 B6R0.6 CCCCCCF 7535AF [0,0,1,0,0,0|2,0,1]=4 46 B6R0.6 CCNCCC#N 7314AD [0,0,1,0,0,0|2,0,1]=4 47 B6R1.4 O=C1CCC1Br 0705AD [0,0,0,0,1,0|1,0,0]=2 48 B6R1.4 O=C1CCC1Cl 7041AD [0,0,0,0,1,0|1,0,0]=2 49 B8R1.4 CC1=CC(O)CCC1 X4463 [0,0,0,0,0,1|3,0,0]=4 50 B8R1.4 CC1CCOC(=O)C1 2149AA [0,0,0,0,0,1|2,0,0]=3 51 B8R1.4 C[C@@H]1CN(C)CCN1 8937AH [0,0,0,0,0,1|3,0,0]=4 52 B8R1.4 C[C@H]1CNCC(=O)N1 7823AA [0,0,0,0,0,1|2,0,0]=3 53 B8R1.4 NC1CCCC(=O)C1 7456AA [0,0,0,0,0,1|2,0,0]=3 54 B8R1.4 NC1CCCC(=O)C1 V9436 [0,0,0,0,0,1|2,0,0]=3 55 B8R1.4 NC1CCNC(=O)C1 V1291 [0,0,0,0,0,1|3,0,0]=4 56 B8R1.5 CC1CCNCC1=O 2896AJ [0,0,0,0,0,1|1,0,0]=2 57 B8R1.5 CC1CNCCN1C 9603AH [0,0,0,0,0,1|3,0,0]=4 58 B8R1.5 C[C@@H]1CCCC[C@H]1N M973 [0,0,0,0,0,1|2,0,1]=4 59 B8R1.5 C[C@@H]1COCC[C@@H]1N 0693AC [0,0,0,0,0,1|1,0,1]=3 60 B8R1.5 C[C@H]1CCCC[C@H]1N 3932AJ [0,0,0,0,0,1|2,0,1]=4 61 B8R1.5 NC1CCOCC1N Y5905 [0,0,0,0,0,1|2,0,1]=4 62 B8R1.5 O=C1CCOCC1Br 4586AF [0,0,0,0,0,1|1,0,0]=2 63 B8R1.5 O=C1CCOCC1Cl 2253AJ [0,0,0,0,0,1|1,0,0]=2 64 B5R0.1 CC#C[C@H](C)O S982 [1,0,1,0,0,0|0,0,2]=4 65 B5R0.1 CC(=O)CCS U742 [1,0,1,0,0,0|0,1,0]=3 66 B5R0.1 CCCC(=O)[O-] M135 [1,0,1,0,0,0|2,0,0]=4 67 B5R0.1 CCCC(C)I 7327AF [1,0,1,0,0,0|1,0,1]=4 68 B5R0.1 CCO[PH](C)=O 8330AA [1,0,1,0,0,0|1,0,0]=3 69 B5R0.1 N=C(N)CCO 5428AA [1,0,1,0,0,0|2,0,0]=4 70 B5R0.2 CCO\C=C/Br 7961AD [1,0,1,0,0,0|1,0,1]=4 71 B5R0.2 COCCC=O Y8542 [1,0,1,0,0,0|0,0,0]=2 72 B5R0.2 O=CCCC=O N715 [1,0,1,0,0,0|1,0,1]=4 73 B5R0.2 OC\C=C\CCl Y3343 [1,0,1,0,0,0|1,0,1]=4 74 B5R0.3 CCC(=O)CN 2095AC [1,0,1,0,0,0|1,0,0]=3 75 B5R0.3 CC[C@H](C)C#N 1254AL [1,0,1,0,0,0|1,0,1]=4 76 B5R0.3 COC(=O)C=O Y1686 [1,0,1,0,0,0|1,0,1]=4 77 B5R0.3 COC(=O)CN W7382 [1,0,1,0,0,0|2,0,0]=4 78 B5R0.3 O=C(CF)CF 3891AE [1,0,1,0,0,0|2,0,0]=4 79 B5R0.3 O=C(CO)CBr 0236AP [1,0,1,0,0,0|1,0,0]=3 80 B5R0.5 CC(=O)C(C)Br V0402 [1,0,1,0,0,0|1,0,0]=3 81 B5R0.5 CC(=O)C(Cl)Cl 7020AF [1,0,1,0,0,0|2,0,0]=4 82 B5R0.5 CC(C)C(C)N 4455AL [1,0,1,0,0,0|1,0,1]=4 83 B5R0.5 CC(O)C(=O)[O-] P973 [1,0,1,0,0,0|1,0,0]=3 84 B5R0.5 CC(O)C(=O)[O-] Z1915 [1,0,1,0,0,0|1,0,0]=3 85 B5R0.5 CC(O)C(=O)[O-] Z1916 [1,0,1,0,0,0|1,0,0]=3 86 B5R0.5 CC(O)C(N)=O 7066AF [1,0,1,0,0,0|1,0,0]=3 87 B5R0.5 C[C@H](O)C(N)=O 4862AC [1,0,1,0,0,0|1,0,0]=3 88 B5R1.1 C1CCOC1 V2332 [2,0,0,0,0,0|0,0,1]=3 89 B5R1.1 C1CNOC1 4176AJ [2,0,0,0,0,0|1,0,1]=4 90 B7R0.2 CC(C)CC(=O)CBr Y8593 [0,1,1,0,0,0|2,0,0]=4 91 B7R0.2 CCC(=O)C[N+](=O)[O-] 1451AB [0,1,1,0,0,0|1,0,1]=4 92 B7R0.3 C=CCOC(=O)CC 7475AF [0,1,1,0,0,0|1,0,1]=4 93 B7R0.3 CCC(C)OCCO 1705AL [0,1,1,0,0,0|1,0,1]=4 94 B7R0.3 CCCOC(=O)CCl U589 [0,1,1,0,0,0|2,0,0]=4 95 B7R0.3 CCCOC(=O)CN 3440AL [0,1,1,0,0,0|2,0,0]=4 96 B7R0.3 COC(=O)CCCO 3568AL [0,1,1,0,0,0|1,0,0]=3 97 B7R0.5 C=C(C)C(=O)NCO V0404 [0,1,1,0,0,0|1,0,1]=4 98 B7R0.5 CCCC(O)C(C)=O X3438 [0,1,1,0,0,0|2,0,0]=4 99 B7R0.5 CCOC(=O)[C@H](C)Cl 9674AJ [0,1,1,0,0,0|2,0,0]=4 100 B7R0.7 CCCC(=S)OCC R545 [0,1,1,0,0,0|1,1,0]=4 101 B7R0.7 CCCS(=O)CCC 7566AF [0,1,1,0,0,0|2,0,0]=4 102 B7R0.7 CCNC(=O)OCC 7331AF [0,1,1,0,0,0|2,0,0]=4 103 B7R0.7 CCOC(=O)CCN 5625AC [0,1,1,0,0,0|1,0,0]=3 104 B7R0.7 O=C(CCBr)CCBr 6817AA [0,1,1,0,0,0|1,0,0]=3 105 B7R0.7 O=C(CCCl)CCCl R711 [0,1,1,0,0,0|1,0,0]=3 106 B7R0.10 CCC(C)C(=O)SC U625 [0,1,1,0,0,0|2,0,0]=4 107 B7R0.10 COC(=O)C(Br)CF 4787AD [0,1,1,0,0,0|2,0,0]=4 108 B7R0.10 COC(=O)C(C)C=O Z3080 [0,1,1,0,0,0|2,0,0]=4 109 B7R0.10 COC(=O)C(C)CN X3684 [0,1,1,0,0,0|2,0,0]=4 110 B7R0.10 COC(=O)C(N)CO 0759AB [0,1,1,0,0,0|1,0,0]=3 111 B7R0.10 NC(CO)C(=O)NN 9864AL [0,1,1,0,0,0|2,0,0]=4 112 B7R0.11 CCS(=O)(=O)CCO 4648AE [0,1,1,0,0,0|1,0,0]=3 113 B7R0.12 CCN(CC)CCO 7101AA [0,1,1,0,0,0|2,0,0]=4 114 B7R0.14 COC(=O)C(C)(F)Br 7892AA [0,1,1,0,0,0|2,0,0]=4 115 B7R0.15 CC[C@H](CO)C(=O)O 1257AC [0,1,1,0,0,0|2,0,0]=4 116 B7R0.1 CCCCOCCBr 7502AE [0,1,1,0,0,0|1,0,1]=4 117 B7R0.1 CCCOCCCO 9024AJ [0,1,1,0,0,0|0,0,2]=4 118 B7R0.4 CC(=O)OCCC=O 9702AA [0,1,1,0,0,0|0,0,1]=3 119 B7R1.1 ClCC1CCCN1 1258AJ [1,1,0,0,0,0|1,0,1]=4 120 B7R1.2 CC1C=CC(C)N1 Y9566 [1,1,0,0,0,0|1,0,1]=4 121 B7R1.2 CC1CCC(=O)C1 7470AF [1,1,0,0,0,0|1,0,0]=3 122 B7R1.2 CC1CCC(C)N1 Y8778 [1,1,0,0,0,0|1,0,1]=4 123 B7R1.2 C[C@@H]1CC[C@@H](C)N1 8295AH [1,1,0,0,0,0|1,0,1]=4 124 B7R1.2 C[C@@H]1CC[C@@H](C)N1 8559AH [1,1,0,0,0,0|1,0,1]=4 125 B7R1.2 C[C@H]1CC[C@H](C)N1 8586AH [1,1,0,0,0,0|1,0,1]=4 126 B9R1.34 C[C@H]1CC(=O)C[C@H](C)N1 4678AJ [0,1,0,0,0,1|1,0,0]=3 127 B9R1.41 O=C(O)C1CCCC1=O 4522AE [0,2,0,0,0,0|1,0,1]=4 128 B9R1.38 CC1CC(C)S(=O)(=O)C1 7526AF [0,2,0,0,0,0|2,0,0]=4 129 B7R1.3 C=C1CCCCC1 3293AA [0,0,1,1,0,0|2,0,0]=4 130 B7R1.3 O=C1CCCNC1 7001AB [0,0,1,1,0,0|2,0,0]=4 131 B7R1.3 O=S1CCCCC1 V2389 [0,0,1,1,0,0|2,0,0]=4 132 B7R1.22 COC(=O)[C@@H]1CN1 1314AL [0,0,1,1,0,0|2,0,0]=4 133 B7R1.18 O=C(O)[C@@H]1CCN1 5483AB [0,0,1,1,0,0|2,0,0]=4 134 B7R2.11 C1CC2CC1N2 3085AJ [1,0,0,1,0,0|1,0,1]=4 135 B5R1.2 CC1CCN1 2132AL [1,0,0,0,1,0|1,0,0]=3 136 B5R1.4 CC1OC1C 5247AL [0,0,0,0,2,0|1,0,1]=4 137 B9R1.5 O=C1CCCCCC1Br 9448AE [0,0,0,0,0,2|2,0,0]=4