0 B6R0.1 C(C#N)[C@@H](CCl)O LS30056 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.1 C(C#N)[C@H](CCl)O LS30057 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.1 COC(=N)CCCl LS40140 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.1 C(CO)C(=O)O LS40008 [1,0,0,0,0,0|2,0,1]=4 4 B5R0.1 C(CO)[N+](=O)[O-] LS40399 [1,0,0,0,0,0|3,0,0]=4 5 B5R0.1 CC(CCO)N LS41893 [1,0,0,0,0,0|1,0,0]=2 6 B5R0.1 CCC[C@@H](C)O LS30259 [1,0,0,0,0,0|2,0,0]=3 7 B5R0.1 CCC[C@H](C)O LS30258 [1,0,0,0,0,0|2,0,0]=3 8 B5R0.1 CN(C)CCCl LS41162 [1,0,0,0,0,0|2,0,0]=3 9 B5R0.1 C[C@@H](CCO)N LS30207 [1,0,0,0,0,0|1,0,0]=2 10 B5R0.1 C[C@H](CCO)N LS30127 [1,0,0,0,0,0|1,0,0]=2 11 B5R0.2 C(CC#N)CCl LS40416 [1,0,0,0,0,0|2,0,1]=4 12 B5R0.2 C(CCBr)CBr LS40910 [1,0,0,0,0,0|2,0,0]=3 13 B5R0.2 C(CCF)CF LS40665 [1,0,0,0,0,0|2,0,0]=3 14 B5R0.2 C(CCF)CO LS40657 [1,0,0,0,0,0|1,0,0]=2 15 B5R0.2 C=CCCCBr LS20766 [1,0,0,0,0,0|1,0,2]=4 16 B5R0.2 COCCC#N LS40792 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.2 COCCCBr LS40222 [1,0,0,0,0,0|2,0,0]=3 18 B5R0.3 C(C(=O)CO)O LS41177 [1,0,0,0,0,0|2,0,1]=4 19 B5R0.3 C(C(CO)N)O LS41161 [1,0,0,0,0,0|2,0,0]=3 20 B5R0.3 C([C@@H](CCl)O)N LS30231 [1,0,0,0,0,0|3,0,0]=4 21 B5R0.3 C([C@@H](CCl)O)O LS30054 [1,0,0,0,0,0|2,0,0]=3 22 B5R0.3 C([C@@H](CO)O)N LS30120 [1,0,0,0,0,0|2,0,0]=3 23 B5R0.3 C([C@H](CCl)O)O LS30055 [1,0,0,0,0,0|2,0,0]=3 24 B5R0.3 C([C@H](CO)O)N LS30267 [1,0,0,0,0,0|2,0,0]=3 25 B5R0.3 C=C(CO)CO LS40793 [1,0,0,0,0,0|1,0,2]=4 26 B5R0.3 CCC(CO)N LS40333 [1,0,0,0,0,0|1,0,0]=2 27 B5R0.3 CC[C@@H](CO)O LS30248 [1,0,0,0,0,0|1,0,0]=2 28 B5R0.3 CC[C@H](CO)O LS30249 [1,0,0,0,0,0|1,0,0]=2 29 B7R0.2 CCC(C)CC(C)N LS41471 [0,1,0,0,0,0|1,0,0]=2 30 B7R0.2 C[C@@H](CC(=O)OC)O LS30199 [0,1,0,0,0,0|2,0,1]=4 31 B7R0.2 C[C@H](CC(=O)OC)O LS30200 [0,1,0,0,0,0|2,0,1]=4 32 B7R0.7 CCOC(=O)CCCl LS40099 [0,1,0,0,0,0|2,0,1]=4 33 B7R0.10 C(C(C(CO)Br)Br)O LS41719 [0,1,0,0,0,0|2,0,0]=3 34 B7R0.12 COCC(OC)OC LS40169 [0,1,0,0,0,0|3,0,0]=4 35 B7R1.1 C1C=CCC1CO LS40472 [0,0,0,1,0,0|2,0,1]=4 36 B7R1.1 C1CCC(C1)C=O LS41696 [0,0,0,1,0,0|2,0,1]=4 37 B7R1.1 C1CNC[C@@H]1CO LS30145 [0,0,0,1,0,0|2,0,0]=3 38 B7R1.1 C1CNC[C@H]1CO LS30146 [0,0,0,1,0,0|2,0,0]=3 39 B7R1.1 C1C[C@@H](OC1)CN LS30245 [0,0,0,1,0,0|3,0,0]=4 40 B7R1.1 C1C[C@H](OC1)CN LS30244 [0,0,0,1,0,0|3,0,0]=4 41 B7R1.2 C1[C@@H](CNC1=O)O LS30539 [0,0,0,1,0,0|2,0,1]=4 42 B7R1.2 C1[C@@H](COC1=O)O LS30540 [0,0,0,1,0,0|2,0,1]=4 43 B7R1.3 C1CC(CNC1)O LS20687 [0,0,0,1,0,0|3,0,0]=4 44 B7R1.3 C1CCN(CC1)N LS20693 [0,0,0,1,0,0|3,0,0]=4 45 B7R1.3 C1CCN(CC1)N LS20694 [0,0,0,1,0,0|3,0,0]=4 46 B7R1.3 C1CCS(=O)CC1 LS40520 [0,0,0,1,0,0|3,0,0]=4 47 B7R1.3 C1CNCCC1Br LS20253 [0,0,0,1,0,0|2,0,0]=3 48 B7R1.3 C1CNCCC1N LS20678 [0,0,0,1,0,0|2,0,0]=3 49 B7R1.3 C1CNCCC1N LS20903 [0,0,0,1,0,0|2,0,0]=3 50 B7R1.3 C1CNCCC1O LS20318 [0,0,0,1,0,0|2,0,0]=3 51 B7R1.3 C1COCCC1=O LS40242 [0,0,0,1,0,0|1,0,1]=3 52 B7R1.3 C1CSCCC1=O LS40396 [0,0,0,1,0,0|1,1,1]=4 53 B7R1.3 C1C[C@@H](CNC1)N LS30004 [0,0,0,1,0,0|3,0,0]=4 54 B7R1.3 C1C[C@H](CNC1)N LS30290 [0,0,0,1,0,0|3,0,0]=4 55 B7R1.3 CC1CCCCN1 LS21158 [0,0,0,1,0,0|2,0,0]=3 56 B7R1.3 CN1CCNCC1 LS20947 [0,0,0,1,0,0|2,0,0]=3 57 B7R1.3 C[C@@H]1CNCCN1 LS30176 [0,0,0,1,0,0|3,0,0]=4 58 B7R1.3 C[C@@H]1CNCCO1 LS30015 [0,0,0,1,0,0|3,0,0]=4 59 B7R1.3 C[C@@H]1COCCN1 LS30002 [0,0,0,1,0,0|3,0,0]=4 60 B7R1.3 C[C@@H]1COCCN1 LS30011 [0,0,0,1,0,0|3,0,0]=4 61 B7R1.3 C[C@H]1CNCCN1 LS30177 [0,0,0,1,0,0|3,0,0]=4 62 B7R1.3 C[C@H]1CNCCO1 LS30016 [0,0,0,1,0,0|3,0,0]=4 63 B7R1.3 C[C@H]1COCCN1 LS30012 [0,0,0,1,0,0|3,0,0]=4 64 B7R1.3 C[C@H]1COCCN1 LS30156 [0,0,0,1,0,0|3,0,0]=4 65 B7R1.4 C1COC(=O)C1Br LS40518 [0,0,0,1,0,0|2,0,1]=4 66 B7R1.25 CC1(COC1)CO LS40343 [0,0,0,1,0,0|3,0,0]=4 67 B4R0.1 B(CC)(O)O LS11146 [2,0,0,0,0,0|2,0,0]=4 68 B4R0.1 CC(=C)CO LS40522 [2,0,0,0,0,0|0,0,2]=4 69 B4R0.1 CC(=NO)C LS00155 [2,0,0,0,0,0|1,0,1]=4 70 B4R0.1 CC(CCl)Cl LS40550 [2,0,0,0,0,0|2,0,0]=4 71 B4R0.1 CC[C@@H](C)O LS30261 [2,0,0,0,0,0|0,0,0]=2 72 B4R0.1 CC[C@H](C)O LS30260 [2,0,0,0,0,0|0,0,0]=2 73 B4R0.1 C[C@@H](CCl)O LS30025 [2,0,0,0,0,0|1,0,0]=3 74 B4R0.1 C[C@@H](CO)Cl LS30257 [2,0,0,0,0,0|1,0,0]=3 75 B4R0.1 C[C@@H](CO)N LS30252 [2,0,0,0,0,0|1,0,0]=3 76 B4R0.1 C[C@@H](CO)O LS30238 [2,0,0,0,0,0|1,0,0]=3 77 B4R0.1 C[C@H](CCl)O LS30026 [2,0,0,0,0,0|1,0,0]=3 78 B4R0.1 C[C@H](CO)Cl LS30085 [2,0,0,0,0,0|1,0,0]=3 79 B4R0.1 C[C@H](CO)N LS30253 [2,0,0,0,0,0|1,0,0]=3 80 B4R0.1 C[C@H](CO)O LS30239 [2,0,0,0,0,0|1,0,0]=3 81 B4R0.2 C(CF)CF LS40664 [2,0,0,0,0,0|2,0,0]=4 82 B4R0.2 C(CN)CBr LS00114 [2,0,0,0,0,0|2,0,0]=4 83 B4R0.2 C(CO)CF LS40656 [2,0,0,0,0,0|1,0,0]=3 84 B4R0.2 C=CCCO LS40761 [2,0,0,0,0,0|0,0,2]=4 85 B4R0.2 CNCCO LS40382 [2,0,0,0,0,0|1,0,0]=3 86 B4R0.2 COCCBr LS40281 [2,0,0,0,0,0|2,0,0]=4 87 B6R0.2 B(CC(C)C)(O)O LS40457 [1,1,0,0,0,0|1,0,0]=3 88 B6R0.2 CC(C)CC(C)N LS41472 [1,1,0,0,0,0|1,0,0]=3 89 B6R0.2 C[C@@H](CC(=O)O)N LS30205 [1,1,0,0,0,0|1,0,1]=4 90 B6R0.2 C[C@H](CC(=O)O)N LS30206 [1,1,0,0,0,0|1,0,1]=4 91 B6R0.5 C(CO)C(F)(F)F LS40952 [1,1,0,0,0,0|2,0,0]=4 92 B6R0.5 CC(C)(C)CC=O LS40274 [1,1,0,0,0,0|0,0,2]=4 93 B6R0.5 C[Si](C)(C)CCO LS40275 [1,1,0,0,0,0|0,1,0]=3 94 B6R0.6 C(CBr)NCCBr LS41604 [1,1,0,0,0,0|2,0,0]=4 95 B6R0.6 C(CCF)CCF LS40666 [1,1,0,0,0,0|1,0,0]=3 96 B6R0.6 C(CCO)CCF LS40658 [1,1,0,0,0,0|0,0,0]=2 97 B6R0.6 C(CCl)NCCCl LS40789 [1,1,0,0,0,0|2,0,0]=4 98 B6R0.6 C=CCCCCO LS40909 [1,1,0,0,0,0|0,0,1]=3 99 B6R0.6 COCCCCCl LS00136 [1,1,0,0,0,0|1,0,0]=3 100 B6R0.8 CC(C)(CO)OC LS40980 [1,1,0,0,0,0|1,0,0]=3 101 B6R0.9 CCN(CC)CC LS40534 [1,1,0,0,0,0|1,0,0]=3 102 B6R0.9 CCP(CC)CC LS41012 [1,1,0,0,0,0|1,0,0]=3 103 B6R0.9 CC[SiH](CC)CC LS41206 [1,1,0,0,0,0|0,1,0]=3 104 B6R0.9 COC(CBr)OC LS41675 [1,1,0,0,0,0|2,0,0]=4 105 B8R0.11 COC(CCCCl)OC LS41642 [0,2,0,0,0,0|2,0,0]=4 106 B8R0.22 CCOC(CBr)OCC LS41652 [0,2,0,0,0,0|2,0,0]=4 107 B8R0.30 C[N+](C)(CCO)CCO LS40942 [0,2,0,0,0,0|1,0,0]=3 108 B6R1.2 C1CNCC1N LS20700 [1,0,0,1,0,0|2,0,0]=4 109 B6R1.2 C1CNC[C@@H]1O LS30060 [1,0,0,1,0,0|2,0,0]=4 110 B6R1.2 C1CNC[C@@H]1O LS30061 [1,0,0,1,0,0|2,0,0]=4 111 B6R1.2 C1CNC[C@H]1N LS30070 [1,0,0,1,0,0|2,0,0]=4 112 B6R1.2 C1COCC1=O LS21051 [1,0,0,1,0,0|1,0,1]=4 113 B6R1.2 C1COCC1O LS21045 [1,0,0,1,0,0|1,0,0]=3 114 B6R1.2 C1COC[C@@H]1N LS30001 [1,0,0,1,0,0|1,0,0]=3 115 B6R1.2 C1COC[C@@H]1O LS30063 [1,0,0,1,0,0|1,0,0]=3 116 B6R1.2 C1COC[C@H]1O LS30020 [1,0,0,1,0,0|1,0,0]=3 117 B6R1.2 C1COC[C@H]1O LS30064 [1,0,0,1,0,0|1,0,0]=3 118 B6R1.1 C1CCNCC1 LS20630 [1,0,0,1,0,0|1,0,0]=3 119 B6R1.1 C1CSCCN1 LS20061 [1,0,0,1,0,0|1,1,0]=4 120 B6R1.6 C1CC(C1)CBr LS40121 [1,0,0,1,0,0|1,0,0]=3 121 B6R1.6 C1CC(C1)CN LS40614 [1,0,0,1,0,0|1,0,0]=3 122 B6R1.6 C1CC(C1)CN LS40654 [1,0,0,1,0,0|1,0,0]=3 123 B6R1.6 C1CC(C1)CO LS41574 [1,0,0,1,0,0|0,0,0]=2 124 B6R1.7 CC1(CO1)CCl LS40232 [1,0,0,1,0,0|1,0,0]=3 125 B8R1.4 C1CC(CC(C1)O)N LS40220 [0,1,0,1,0,0|1,0,0]=3 126 B8R1.2 C1CCC(CC1)C=O LS40273 [0,1,0,1,0,0|1,0,1]=4 127 B8R1.2 C1CCC(CC1)CN LS40038 [0,1,0,1,0,0|1,0,0]=3 128 B8R1.2 C1CCOC(C1)CO LS20884 [0,1,0,1,0,0|2,0,0]=4 129 B8R1.2 C1CNCCC1CN LS21222 [0,1,0,1,0,0|1,0,0]=3 130 B8R1.2 C1COC[C@@H](N1)CO LS00103 [0,1,0,1,0,0|1,0,0]=3 131 B8R1.2 C1COC[C@H](N1)CO LS00102 [0,1,0,1,0,0|1,0,0]=3 132 B8R1.2 C1CO[C@@H](CN1)CO LS30134 [0,1,0,1,0,0|2,0,0]=4 133 B8R1.2 CCN1CCNCC1 LS20285 [0,1,0,1,0,0|2,0,0]=4 134 B8R1.2 CC[C@@H]1COCCN1 LS30017 [0,1,0,1,0,0|0,0,0]=2 135 B8R1.2 CC[C@H]1COCCN1 LS30018 [0,1,0,1,0,0|0,0,0]=2 136 B8R1.2 CNC1CCCNC1 LS20138 [0,1,0,1,0,0|2,0,0]=4 137 B8R1.2 CSC1CCNCC1 LS20119 [0,1,0,1,0,0|1,0,0]=3 138 B8R1.3 C1[C@@H](CC[C@@H](C1)O)N LS30035 [0,1,0,1,0,0|1,0,0]=3 139 B8R1.3 C1[C@@H](CC[C@H](C1)O)O LS30275 [0,1,0,1,0,0|1,0,0]=3 140 B8R1.3 CN1CCC(=O)CC1 LS20681 [0,1,0,1,0,0|1,0,1]=4 141 B8R1.3 CN1CCC(CC1)N LS20683 [0,1,0,1,0,0|2,0,0]=4 142 B8R1.3 CN1CCC(CC1)O LS40375 [0,1,0,1,0,0|1,0,0]=3 143 B8R1.3 CN1CCN(CC1)N LS20698 [0,1,0,1,0,0|2,0,0]=4 144 B8R1.5 C1CC[C@@H]([C@H](C1)N)N LS30194 [0,1,0,1,0,0|2,0,0]=4 145 B8R1.5 C1CC[C@@H]([C@H](C1)N)O LS30024 [0,1,0,1,0,0|2,0,0]=4 146 B8R1.5 C1CC[C@@H]([C@H](C1)N)O LS30123 [0,1,0,1,0,0|2,0,0]=4 147 B8R1.5 C1CC[C@H]([C@@H](C1)N)N LS30059 [0,1,0,1,0,0|2,0,0]=4 148 B8R1.5 C1CC[C@H]([C@H](C1)N)O LS30029 [0,1,0,1,0,0|2,0,0]=4 149 B8R1.52 CCC1(CCCC1)O LS41625 [0,1,0,1,0,0|1,0,0]=3 150 B8R1.52 CC[N+]1(CCCC1)C LS40606 [0,1,0,1,0,0|2,0,0]=4 151 B8R1.8 C1CCN(C1)CCN LS20889 [0,1,0,1,0,0|2,0,0]=4 152 B8R1.72 C1CNCCC1(F)F LS20131 [0,1,0,1,0,0|2,0,0]=4 153 B8R1.72 C1CNCCC1(F)F LS20132 [0,1,0,1,0,0|2,0,0]=4 154 B8R1.72 C1CNCCC1(O)O LS20793 [0,1,0,1,0,0|2,0,0]=4 155 B8R1.72 CC1(CCNCC1)O LS20682 [0,1,0,1,0,0|1,0,0]=3 156 B8R1.72 CC1(CCNCC1)O LS20905 [0,1,0,1,0,0|1,0,0]=3 157 B8R1.72 C[N+]1(CCCCC1)C LS40575 [0,1,0,1,0,0|2,0,0]=4