0 B4R0.2 C(CF)CF LS40664 [0,0,0,0,0,0|3,0,1]=4 1 B4R0.2 C(CN)CBr LS00114 [0,0,0,0,0,0|3,0,1]=4 2 B4R0.2 C(CO)CF LS40656 [0,0,0,0,0,0|2,0,2]=4 3 B4R0.2 C=CCCBr LS20765 [0,0,0,0,0,0|3,0,0]=3 4 B4R0.2 C=CCCO LS40761 [0,0,0,0,0,0|3,0,0]=3 5 B4R0.2 CNCCO LS40382 [0,0,0,0,0,0|2,0,2]=4 6 B4R0.2 COCCBr LS40281 [0,0,0,0,0,0|3,0,1]=4 7 B3R0.1 C(CCl)N LS40418 [1,0,0,0,0,0|2,0,1]=4 8 B3R0.1 C(CF)O LS40655 [1,0,0,0,0,0|1,0,2]=4 9 B3R0.1 C(CO)N LS41686 [1,0,0,0,0,0|1,0,2]=4 10 B3R0.1 CCNN LS40292 [1,0,0,0,0,0|2,0,0]=3 11 B3R0.1 CNOC LS41340 [1,0,0,0,0,0|1,0,1]=3 12 B5R0.1 B(CCC)(O)O LS11148 [0,1,0,0,0,0|2,0,1]=4 13 B5R0.1 C(C#N)C(=O)N LS41191 [0,1,0,0,0,0|2,0,1]=4 14 B5R0.1 C(CCl)C(=O)Cl LS40026 [0,1,0,0,0,0|2,0,0]=3 15 B5R0.1 C(CO)C(=O)O LS40008 [0,1,0,0,0,0|2,0,0]=3 16 B5R0.1 C(CO)[N+](=O)[O-] LS40399 [0,1,0,0,0,0|3,0,0]=4 17 B5R0.1 CC#CC(=O)O LS40078 [0,1,0,0,0,0|1,0,1]=3 18 B5R0.1 CC(CCO)N LS41893 [0,1,0,0,0,0|1,0,2]=4 19 B5R0.1 CCC[C@@H](C)O LS30259 [0,1,0,0,0,0|1,0,2]=4 20 B5R0.1 CCC[C@H](C)O LS30258 [0,1,0,0,0,0|1,0,2]=4 21 B5R0.1 C[C@@H](CCO)N LS30207 [0,1,0,0,0,0|1,0,2]=4 22 B5R0.1 C[C@H](CCO)N LS30127 [0,1,0,0,0,0|1,0,2]=4 23 B5R0.2 C(CC#N)CCl LS40416 [0,1,0,0,0,0|2,0,1]=4 24 B5R0.2 C(CCBr)CBr LS40910 [0,1,0,0,0,0|2,0,1]=4 25 B5R0.2 C(CCF)CF LS40665 [0,1,0,0,0,0|2,0,1]=4 26 B5R0.2 C(CCF)CO LS40657 [0,1,0,0,0,0|1,0,2]=4 27 B5R0.2 C(\C=C/CCl)Cl LS30130 [0,1,0,0,0,0|3,0,0]=4 28 B5R0.2 C(\C=C\CCl)Cl LS30302 [0,1,0,0,0,0|3,0,0]=4 29 B5R0.2 C=CCCCBr LS20766 [0,1,0,0,0,0|2,0,0]=3 30 B5R0.2 COCCC#N LS40792 [0,1,0,0,0,0|2,0,1]=4 31 B5R0.2 COCCCBr LS40222 [0,1,0,0,0,0|2,0,1]=4 32 B5R0.3 CCC(CO)N LS40333 [0,1,0,0,0,0|1,0,2]=4 33 B5R0.3 CC[C@@H](CO)O LS30248 [0,1,0,0,0,0|1,0,2]=4 34 B5R0.3 CC[C@H](CO)O LS30249 [0,1,0,0,0,0|1,0,2]=4 35 B5R1.1 C1C=CCN1 LS20566 [0,0,0,1,0,0|3,0,0]=4 36 B5R1.1 c1cnoc1 LS21145 [0,0,0,1,0,0|2,0,1]=4 37 B5R1.2 C1C(=O)CO1 LS41911 [0,0,0,1,0,0|2,0,0]=3 38 B5R1.2 C1C(=O)CS1 LS40394 [0,0,0,1,0,0|2,0,0]=3 39 B5R1.2 C1CC(=O)C1 LS40231 [0,0,0,1,0,0|1,0,0]=2 40 B5R1.3 CC[C@@H]1CO1 LS30243 [0,0,0,1,0,0|1,0,2]=4 41 B5R1.3 CC[C@H]1CO1 LS30242 [0,0,0,1,0,0|1,0,2]=4 42 B2R0.1 C(=O)[O-] LS60287 [2,0,0,0,0,0|0,0,1]=3 43 B2R0.1 C(=O)[O-] LS60313 [2,0,0,0,0,0|0,0,1]=3 44 B2R0.1 [O-]P=O LS00029 [2,0,0,0,0,0|1,0,1]=4 45 B2R0.1 [O-]P=O LS41874 [2,0,0,0,0,0|1,0,1]=4 46 B4R0.1 B(CC)(O)O LS11146 [1,1,0,0,0,0|1,0,1]=4 47 B4R0.1 C(C(=O)Cl)Br LS40185 [1,1,0,0,0,0|1,0,0]=3 48 B4R0.1 C(C(=O)N)I LS41576 [1,1,0,0,0,0|1,0,0]=3 49 B4R0.1 C(C(=O)[O-])Br LS41065 [1,1,0,0,0,0|1,0,0]=3 50 B4R0.1 CC(=C)CO LS40522 [1,1,0,0,0,0|2,0,0]=4 51 B4R0.1 CC(CCl)Cl LS40550 [1,1,0,0,0,0|1,0,1]=4 52 B4R0.1 CC[C@@H](C)O LS30261 [1,1,0,0,0,0|0,0,2]=4 53 B4R0.1 CC[C@H](C)O LS30260 [1,1,0,0,0,0|0,0,2]=4 54 B4R0.1 COC(Cl)Cl LS00123 [1,1,0,0,0,0|1,0,1]=4 55 B4R0.1 C[C@@H](CCl)O LS30025 [1,1,0,0,0,0|1,0,1]=4 56 B4R0.1 C[C@@H](CO)Cl LS30257 [1,1,0,0,0,0|0,0,2]=4 57 B4R0.1 C[C@@H](CO)N LS30252 [1,1,0,0,0,0|0,0,2]=4 58 B4R0.1 C[C@@H](CO)O LS30238 [1,1,0,0,0,0|0,0,2]=4 59 B4R0.1 C[C@H](CCl)O LS30026 [1,1,0,0,0,0|1,0,1]=4 60 B4R0.1 C[C@H](CO)Cl LS30085 [1,1,0,0,0,0|0,0,2]=4 61 B4R0.1 C[C@H](CO)N LS30253 [1,1,0,0,0,0|0,0,2]=4 62 B4R0.1 C[C@H](CO)O LS30239 [1,1,0,0,0,0|0,0,2]=4 63 B6R0.1 CCOC(=O)CBr LS40563 [0,2,0,0,0,0|0,0,0]=2 64 B6R0.1 CCOC(=O)CF LS40582 [0,2,0,0,0,0|0,0,0]=2 65 B6R0.1 CCOC(=O)OC LS41158 [0,2,0,0,0,0|0,0,0]=2 66 B6R0.2 C[C@@H](CC(=O)O)N LS30205 [0,2,0,0,0,0|1,0,0]=3 67 B6R0.2 C[C@H](CC(=O)O)N LS30206 [0,2,0,0,0,0|1,0,0]=3 68 B6R0.3 CC(=O)N(C)OC LS41178 [0,2,0,0,0,0|2,0,0]=4 69 B6R0.3 CCC(=O)C(=O)O LS41883 [0,2,0,0,0,0|1,0,0]=3 70 B6R0.3 CCC(=O)C(=O)[O-] LS41889 [0,2,0,0,0,0|1,0,0]=3 71 B6R0.3 CCN(C)C(=O)Cl LS40081 [0,2,0,0,0,0|1,0,0]=3 72 B6R0.3 CC[C@@H](C(=O)O)O LS30082 [0,2,0,0,0,0|1,0,0]=3 73 B6R0.4 C(CC(=O)Cl)CCl LS40415 [0,2,0,0,0,0|1,0,0]=3 74 B6R0.4 C=CCCC(=O)O LS41473 [0,2,0,0,0,0|1,0,1]=4 75 B6R0.5 C(C=O)C(F)(F)F LS40954 [0,2,0,0,0,0|2,0,0]=4 76 B6R0.5 CC(C)(C)CC=O LS40274 [0,2,0,0,0,0|1,0,0]=3 77 B6R0.5 CCCS(=O)(=O)Cl LS40243 [0,2,0,0,0,0|2,0,0]=4 78 B6R0.6 C=CCCCCO LS40909 [0,2,0,0,0,0|2,0,0]=4 79 B4R1.2 CC1=CC1 LS00107 [1,0,0,1,0,0|1,0,1]=4 80 B4R1.2 C[C@@H]1CO1 LS30241 [1,0,0,1,0,0|0,0,1]=3 81 B4R1.2 C[C@H]1CO1 LS30240 [1,0,0,1,0,0|0,0,1]=3 82 B6R1.2 C1CC(=O)OC1 LS40356 [0,1,0,1,0,0|0,0,0]=2 83 B6R1.2 C1CNCC1=O LS20898 [0,1,0,1,0,0|1,0,0]=3 84 B6R1.2 C1COCC1=O LS21051 [0,1,0,1,0,0|0,0,0]=2 85 B6R1.2 C1COCC1O LS21045 [0,1,0,1,0,0|0,0,2]=4 86 B6R1.2 C1COC[C@@H]1N LS30001 [0,1,0,1,0,0|1,0,1]=4 87 B6R1.2 C1COC[C@@H]1O LS30063 [0,1,0,1,0,0|0,0,2]=4 88 B6R1.2 C1COC[C@H]1O LS30020 [0,1,0,1,0,0|0,0,2]=4 89 B6R1.2 C1COC[C@H]1O LS30064 [0,1,0,1,0,0|0,0,2]=4 90 B6R1.2 C1CSCC1=O LS40268 [0,1,0,1,0,0|0,1,0]=3 91 B6R1.2 CC1=NCCC1 LS20850 [0,1,0,1,0,0|2,0,0]=4 92 B6R1.2 c1coc(=O)o1 LS40378 [0,1,0,1,0,0|0,0,2]=4 93 B6R1.11 C1CC1C(=O)Cl LS40512 [0,1,0,1,0,0|1,0,0]=3 94 B6R1.11 C1CC1C(=O)N LS40035 [0,1,0,1,0,0|1,0,0]=3 95 B6R1.11 C1CC1C(=O)O LS41647 [0,1,0,1,0,0|1,0,0]=3