0 B9R0.5 CCC=CCC(=O)OCC E47083 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.5 CCCC=CC(=O)OCC E47082 [0,0,0,0,0,0|2,0,1]=3 2 B9R0.5 CCOC(=O)CCCCBr E39295 [0,0,0,0,0,0|3,0,0]=3 3 B9R0.5 CCOC(=O)CCCCN E46517 [0,0,0,0,0,0|3,0,0]=3 4 B9R0.5 CCOC(=O)CCC[Zn]I E31894 [0,0,0,0,0,0|4,0,0]=4 5 B9R0.5 CCOC(=O)COCCCl E41531 [0,0,0,0,0,0|4,0,0]=4 6 B9R0.5 CCOC=CC(=O)OCC E43814 [0,0,0,0,0,0|3,0,1]=4 7 B9R0.5 CCO\C=C\C(=O)OCC E43813 [0,0,0,0,0,0|3,0,1]=4 8 B8R0.1 C#CCCC(=O)CCO H6251 [1,0,0,0,0,0|1,0,2]=4 9 B8R0.1 CCCC[C@H](N)CCO A62132 [1,0,0,0,0,0|2,0,1]=4 10 B8R0.1 CCOC(=O)CCC#N E63052 [1,0,0,0,0,0|2,0,1]=4 11 B8R0.1 CCOC(=O)CCCBr B69333 [1,0,0,0,0,0|2,0,0]=3 12 B8R0.1 CCOC(=O)CCCI E31893 [1,0,0,0,0,0|2,0,0]=3 13 B8R0.1 CCOC(=O)CCCN E43487 [1,0,0,0,0,0|2,0,0]=3 14 B8R0.1 CCOC(=O)CCNC E41584 [1,0,0,0,0,0|2,0,0]=3 15 B8R0.1 CCOC(=O)CCSC E39202 [1,0,0,0,0,0|2,0,0]=3 16 B8R0.1 CCOCC(=O)OCC E41554 [1,0,0,0,0,0|2,0,0]=3 17 B8R0.4 CCCCCCCNC M47212 [1,0,0,0,0,0|2,0,1]=4 18 B8R0.6 CCCC=CC(=O)OC M43802 [1,0,0,0,0,0|2,0,1]=4 19 B8R0.6 CCCCCC(=O)CBr B43868 [1,0,0,0,0,0|2,0,0]=3 20 B8R0.6 CCCCC[C@@H](O)CC X47206 [1,0,0,0,0,0|1,0,2]=4 21 B8R0.6 CCCCNC(=O)CCl B41547 [1,0,0,0,0,0|2,0,0]=3 22 B8R0.6 CNCCCC(=O)OC M43486 [1,0,0,0,0,0|3,0,0]=4 23 B8R0.6 COC(=O)CCCCBr M41523 [1,0,0,0,0,0|3,0,0]=4 24 B8R0.6 COC(=O)CCCCCl M63406 [1,0,0,0,0,0|3,0,0]=4 25 B8R0.6 COC(=O)CCCCN M43490 [1,0,0,0,0,0|3,0,0]=4 26 B8R0.6 COCCCC(=O)OC M68350 [1,0,0,0,0,0|3,0,0]=4 27 B10R0.1 CCOC(=O)CCCCCBr E39444 [0,1,0,0,0,0|2,0,0]=3 28 B10R0.1 CCOC(=O)CCCCCO E47160 [0,1,0,0,0,0|2,0,0]=3 29 B10R0.2 CCCC(=O)CC(=O)OCC E47091 [0,1,0,0,0,0|2,0,1]=4 30 B10R0.2 CCC[C@H](O)CC(=O)OCC E47159 [0,1,0,0,0,0|2,0,0]=3 31 B10R0.3 C=C(C)CCCC(=O)OCC E50504 [0,1,0,0,0,0|2,0,1]=4 32 B10R0.3 CCOC(=O)CCCC(C)=O E47092 [0,1,0,0,0,0|2,0,1]=4 33 B10R0.19 CCCCC(=O)C(=O)OCC E12153 [0,1,0,0,0,0|2,0,0]=3 34 B10R0.19 CCOC(=O)[C@@H](N)CCCN E63673 [0,1,0,0,0,0|3,0,0]=4 35 B10R0.91 CCCCCC(=O)OCCC P50580 [0,1,0,0,0,0|1,0,0]=2 36 B10R1.10 CCC[C@H]1CC(=O)CCN1 P49563 [0,0,0,1,0,0|2,0,0]=3 37 B10R1.11 CCOC(=O)[C@@H]1CCCO1 E43818 [0,0,0,1,0,0|3,0,0]=4 38 B10R1.11 CCOC(=O)[C@H]1CCCN1 E37266 [0,0,0,1,0,0|3,0,0]=4 39 B10R1.11 CCOC(=O)[C@H]1CCNC1 E25456 [0,0,0,1,0,0|3,0,0]=4 40 B10R1.11 N#CCC(=O)C1CCCC1 C10418 [0,0,0,1,0,0|2,0,1]=4 41 B10R1.25 CC[C@H]1CNC(=O)CC1=O E14290 [0,0,0,1,0,0|2,0,1]=4 42 B10R1.29 CCCCN1CCCC1=O B68886 [0,0,0,1,0,0|1,0,0]=2 43 B10R1.78 O=C1CCCCCCCN1 A62814 [0,0,0,1,0,0|1,0,0]=2 44 B10R1.137 CCOC(=O)C=C1CCC1 E47017 [0,0,0,1,0,0|2,0,1]=4 45 B10R1.138 CCCC(=O)OC[C@H]1CO1 G39289 [0,0,0,1,0,0|1,0,0]=2 46 B7R0.1 CCCCCCCBr B43897 [2,0,0,0,0,0|1,0,1]=4 47 B7R0.1 CCCCCCC[Mg+] H31707 [2,0,0,0,0,0|1,0,1]=4 48 B7R0.1 COCCOCCI K40420 [2,0,0,0,0,0|2,0,0]=4 49 B7R0.1 COCCOCCN M38824 [2,0,0,0,0,0|2,0,0]=4 50 B7R0.3 CCCCC(=O)NN P40425 [2,0,0,0,0,0|2,0,0]=4 51 B7R0.3 CCCC[C@@H]([Mg+])CC E31708 [2,0,0,0,0,0|1,0,1]=4 52 B7R0.3 CCCOC(=O)OC M40388 [2,0,0,0,0,0|1,0,0]=3 53 B7R0.3 CNCCC(=O)OC M40412 [2,0,0,0,0,0|2,0,0]=4 54 B7R0.3 COC(=O)CCCBr M39189 [2,0,0,0,0,0|2,0,0]=4 55 B7R0.3 COC(=O)CCCCl M60517 [2,0,0,0,0,0|2,0,0]=4 56 B7R0.3 COC(=O)CCCN M32376 [2,0,0,0,0,0|2,0,0]=4 57 B7R0.7 CC#CC(=O)OCC E36835 [2,0,0,0,0,0|0,0,2]=4 58 B7R0.7 CCNC(=O)NCC D40424 [2,0,0,0,0,0|2,0,0]=4 59 B7R0.7 CCOC(=O)CCBr E39188 [2,0,0,0,0,0|1,0,0]=3 60 B7R0.7 CCOC(=O)CCI E41273 [2,0,0,0,0,0|1,0,0]=3 61 B7R0.7 CCOC(=O)CCO E36682 [2,0,0,0,0,0|1,0,0]=3 62 B7R0.7 CCOC(=O)CNC S69399 [2,0,0,0,0,0|1,0,0]=3 63 B7R0.7 CCOC(=O)CNN E67459 [2,0,0,0,0,0|2,0,0]=4 64 B7R0.7 CCOC(=O)CSC E40386 [2,0,0,0,0,0|1,0,0]=3 65 B7R0.7 CCOC(=O)OCCl C38646 [2,0,0,0,0,0|2,0,0]=4 66 B7R0.7 COCC(=O)COC D40391 [2,0,0,0,0,0|2,0,0]=4 67 B7R0.7 O=C(CCCl)CCCl D67616 [2,0,0,0,0,0|2,0,0]=4 68 B7R0.4 CC(=O)CCCCBr B41532 [2,0,0,0,0,0|2,0,0]=4 69 B7R0.4 CC(=O)OCCCBr B41266 [2,0,0,0,0,0|1,0,0]=3 70 B7R0.4 CC(=O)OCCCCl C39190 [2,0,0,0,0,0|1,0,0]=3 71 B7R0.4 CCCCOC(N)=O B39165 [2,0,0,0,0,0|1,0,0]=3 72 B9R0.34 CCCC(=O)CC(=O)OC M39290 [1,1,0,0,0,0|1,0,1]=4 73 B9R0.34 CCOC(=O)CC(=O)CC E43812 [1,1,0,0,0,0|1,0,1]=4 74 B9R0.34 CCOC(=O)C[C@@H](O)CCl E68321 [1,1,0,0,0,0|2,0,0]=4 75 B9R0.34 CCOC(=O)C[C@H](O)CO E66047 [1,1,0,0,0,0|2,0,0]=4 76 B9R0.35 CCCC(=O)C(=O)OCC E43810 [1,1,0,0,0,0|1,0,1]=4 77 B9R0.35 CCC[C@H](C)C(=O)OCC E39445 [1,1,0,0,0,0|1,0,0]=3 78 B9R0.35 CCC[C@H](N)C(=O)OCC N65311 [1,1,0,0,0,0|1,0,0]=3 79 B9R0.48 C=C(C)CCC(=O)OCC E69099 [1,1,0,0,0,0|1,0,1]=4 80 B9R0.48 CCOC(=O)CCC(C)=O E36601 [1,1,0,0,0,0|1,0,1]=4 81 B9R0.45 CCCCCCCCC[Mg+] N31713 [1,1,0,0,0,0|1,0,1]=4 82 B9R0.45 CCCCCCCCNC M50621 [1,1,0,0,0,0|1,0,1]=4 83 B9R0.45 CCCCCCCNCC E50620 [1,1,0,0,0,0|1,0,1]=4 84 B9R0.47 CCCCOC(=O)[C@H](C)N B43923 [1,1,0,0,0,0|0,0,0]=2 85 B11R0.4 CCOC(=O)CCCCCCBr E50560 [0,2,0,0,0,0|2,0,0]=4 86 B11R0.4 CCOC(=O)CCCCCCN E52216 [0,2,0,0,0,0|2,0,0]=4 87 B11R0.4 CC\C=C/CCOC(=O)CCC H39623 [0,2,0,0,0,0|0,0,0]=2 88 B11R0.180 CCCC(=O)SCC[N+](C)(C)C B64927 [0,2,0,0,0,0|1,1,0]=4 89 B11R0.191 CCCC[C@H](CC)C(=O)OCC E53338 [0,2,0,0,0,0|2,0,0]=4 90 B11R0.247 CCCCC(F)(F)C(=O)OCC E47090 [0,2,0,0,0,0|2,0,0]=4 91 B11R0.78 CCCCC[C@H](CCC)C(=O)O P53339 [0,2,0,0,0,0|1,0,1]=4 92 B11R0.140 CCCCOC(=O)OCCCC D50584 [0,2,0,0,0,0|0,0,0]=2 93 B9R1.2 CCN1CCNC(=O)C1 E43465 [1,0,0,1,0,0|2,0,0]=4 94 B9R1.2 N#C[C@H]1CCCC(=O)C1 X46385 [1,0,0,1,0,0|1,0,1]=4 95 B9R1.2 NC[C@H]1CCCC(=O)N1 A37687 [1,0,0,1,0,0|2,0,0]=4 96 B9R1.2 NC[C@H]1CCNC(=O)C1 A7242 [1,0,0,1,0,0|2,0,0]=4 97 B9R1.2 O=C1C[C@@H](CO)CCN1 X0577 [1,0,0,1,0,0|2,0,0]=4 98 B9R1.8 CCC[C@H]1CCCCN1 P49580 [1,0,0,1,0,0|1,0,1]=4 99 B9R1.15 CO[C@H]1COCCC1=O M10506 [1,0,0,1,0,0|2,0,0]=4 100 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 H29811 [1,0,0,1,0,0|2,0,0]=4 101 B9R1.48 C[C@H]1CC(=O)NCCN1 H7872 [1,0,0,1,0,0|2,0,0]=4 102 B9R1.48 O=C1CCCCC(=O)C1 C37584 [1,0,0,1,0,0|1,0,1]=4 103 B9R1.49 CN1CCNC(=O)CC1 M10175 [1,0,0,1,0,0|2,0,0]=4 104 B9R1.49 N[C@H]1CCCC(=O)NC1 A43464 [1,0,0,1,0,0|2,0,0]=4 105 B9R1.49 O=C1CCC[C@H](O)CN1 H41499 [1,0,0,1,0,0|2,0,0]=4 106 B9R1.50 O=C1CCCCCCC1 C67881 [1,0,0,1,0,0|0,0,0]=2 107 B9R1.50 O=C1CCCCCCN1 A69570 [1,0,0,1,0,0|1,0,0]=3 108 B9R1.73 CCOC(=N)C1CCC1 E64744 [1,0,0,1,0,0|2,0,0]=4 109 B9R1.73 CCOC(=O)C1CNC1 E0677 [1,0,0,1,0,0|2,0,0]=4 110 B9R1.73 N#CCC(=O)C1CCC1 C0311 [1,0,0,1,0,0|1,0,1]=4 111 B9R1.75 CCOC(=O)CC1CC1 E29877 [1,0,0,1,0,0|1,0,0]=3 112 B9R1.1 CCC1CCC(=O)CC1 E39441 [1,0,0,1,0,0|1,0,0]=3 113 B9R1.1 NC[C@H]1CCC(=O)NC1 A10714 [1,0,0,1,0,0|2,0,0]=4 114 B9R1.1 O=C1CC[C@H](CO)CN1 H38263 [1,0,0,1,0,0|2,0,0]=4 115 B9R1.11 COC(=O)C1CCCC1 M43805 [1,0,0,1,0,0|2,0,0]=4 116 B11R1.4 OCCCCO[C@@H]1CCCO1 T47162 [0,1,0,1,0,0|0,0,2]=4 117 B11R1.16 CCCC(=O)N1CCNCC1 P63909 [0,1,0,1,0,0|1,0,0]=3 118 B11R1.16 CCOC(=O)C1CCNCC1 E29669 [0,1,0,1,0,0|2,0,0]=4 119 B11R1.16 CCOC(=O)C1CCNCC1 P28285 [0,1,0,1,0,0|2,0,0]=4 120 B11R1.16 CCOC(=O)C1CCOCC1 E47102 [0,1,0,1,0,0|2,0,0]=4 121 B11R1.16 CCOC(=O)C1OCCCO1 D10084 [0,1,0,1,0,0|2,0,0]=4 122 B11R1.16 CCOC(=O)N1CCCCC1 E47120 [0,1,0,1,0,0|2,0,0]=4 123 B11R1.16 CCOC(=O)N1CCNCC1 E39297 [0,1,0,1,0,0|2,0,0]=4 124 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 E47117 [0,1,0,1,0,0|2,0,0]=4 125 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 E49565 [0,1,0,1,0,0|2,0,0]=4 126 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 E49567 [0,1,0,1,0,0|2,0,0]=4 127 B11R1.16 CCOC(=O)[C@@H]1CCCCO1 E63418 [0,1,0,1,0,0|1,0,0]=3 128 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 D21711 [0,1,0,1,0,0|2,0,0]=4 129 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 E1816 [0,1,0,1,0,0|2,0,0]=4 130 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 E22645 [0,1,0,1,0,0|2,0,0]=4 131 B11R1.16 CCOC(=O)[C@@H]1CNCCO1 E43856 [0,1,0,1,0,0|2,0,0]=4 132 B11R1.16 CCOC(=O)[C@H]1CCCNC1 D25574 [0,1,0,1,0,0|2,0,0]=4 133 B11R1.16 CCOC(=O)[C@H]1CCCNC1 E1843 [0,1,0,1,0,0|2,0,0]=4 134 B11R1.16 CCOC(=O)[C@H]1CCCNC1 E23938 [0,1,0,1,0,0|2,0,0]=4 135 B11R1.16 CCOC(=O)[C@H]1CCCNC1 E39525 [0,1,0,1,0,0|2,0,0]=4 136 B11R1.30 CCOC(=O)C[C@H]1CCCO1 E47100 [0,1,0,1,0,0|2,0,0]=4 137 B11R1.30 CCOC(=O)C[C@H]1CCNC1 E15030 [0,1,0,1,0,0|2,0,0]=4 138 B11R1.199 CCOC(=O)C1CCCC1N E49570 [0,1,0,1,0,0|2,0,0]=4 139 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N E63697 [0,1,0,1,0,0|2,0,0]=4 140 B11R1.199 CCOC(=O)[C@H]1CCC[C@H]1N E69723 [0,1,0,1,0,0|2,0,0]=4 141 B11R1.201 CCOC(=O)CC1CC(O)C1 E11673 [0,1,0,1,0,0|2,0,0]=4 142 B11R1.201 CCOC(=O)C[C@H]1C[C@@H](O)C1 E14840 [0,1,0,1,0,0|2,0,0]=4 143 B11R1.201 CCOC(=O)C[C@H]1C[C@H](O)C1 E14839 [0,1,0,1,0,0|2,0,0]=4 144 B11R1.351 CCOC(=O)C(=O)CC1CC1 C2015 [0,1,0,1,0,0|2,0,0]=4 145 B11R1.366 CCCCOS(=O)(=O)C1CC1 B43894 [0,1,0,1,0,0|1,0,0]=3 146 B11R2.106 O=C1CNC[C@@H]2CCCN12 H46480 [0,0,0,2,0,0|2,0,0]=4 147 B11R2.678 O=C1C[C@@H]2CCC[C@H](C1)N2 A14879 [0,0,0,2,0,0|2,0,0]=4 148 B11R2.1478 O=C1CNCC2(CCC2)N1 D13166 [0,0,0,2,0,0|2,0,0]=4 149 B11R2.1478 O=C1CNCC2(CCC2)N1 D59918 [0,0,0,2,0,0|2,0,0]=4 150 B11R2.63 CN1C2CCC(=O)C1CC2 M14806 [0,0,0,2,0,0|2,0,0]=4 151 B11R2.1 O=C1CC[C@@H]2CNCCN12 H10647 [0,0,0,2,0,0|2,0,0]=4 152 B11R2.1 O=C1CC[C@@H]2CNCCN12 H31039 [0,0,0,2,0,0|2,0,0]=4 153 B11R2.1 O=C1CC[C@H]2CNCCN12 H10646 [0,0,0,2,0,0|2,0,0]=4 154 B11R2.1 O=C1CC[C@H]2CNCCN12 X17072 [0,0,0,2,0,0|2,0,0]=4 155 B11R2.1 O=C1NC[C@@H]2CCNC[C@H]12 O1562 [0,0,0,2,0,0|2,0,0]=4 156 B11R2.1 O=C1NC[C@H]2CCNC[C@@H]12 X14209 [0,0,0,2,0,0|2,0,0]=4 157 B11R2.1 O=C1OC[C@@H]2CNCCN12 H13025 [0,0,0,2,0,0|2,0,0]=4 158 B11R2.1 O=C1OC[C@H]2CNCCN12 H8753 [0,0,0,2,0,0|2,0,0]=4 159 B11R2.459 O=C1CCCN1C2CNC2 A6322 [0,0,0,2,0,0|2,0,0]=4 160 B11R2.10 O=C1NC2CCNCC2O1 X19636 [0,0,0,2,0,0|2,0,0]=4