0 B7R0.1 C=CCCCCNC R10008 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.1 CCCNCCCO AB4057 [0,0,0,0,0,0|1,0,3]=4 2 B7R0.1 COCOCCC=O 32199 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.6 CCOCCCBr A11082 [1,0,0,0,0,0|2,0,1]=4 4 B6R0.6 CCOCCON W15834 [1,0,0,0,0,0|3,0,0]=4 5 B6R0.6 CC\C=C/CCI 98107 [1,0,0,0,0,0|1,0,0]=2 6 B8R0.1 CCOC(=O)CCC#N 82565 [0,1,0,0,0,0|2,0,1]=4 7 B8R0.1 CCOC(=O)CCC=O AB9300 [0,1,0,0,0,0|1,0,0]=2 8 B8R0.1 CCOC(=O)CCCO C91677 [0,1,0,0,0,0|1,0,2]=4 9 B8R0.4 C=CCCCCCC=O N11873 [0,1,0,0,0,0|0,0,3]=4 10 B8R0.4 C=CCCCCCCI W11175 [0,1,0,0,0,0|1,0,2]=4 11 B8R0.7 NCCCCCC(=O)O P19609 [0,1,0,0,0,0|1,0,2]=4 12 B8R0.7 NCCCCCC(N)=O AC6029 [0,1,0,0,0,0|1,0,2]=4 13 B8R0.7 O=C([O-])CCCCCO Y14708 [0,1,0,0,0,0|1,0,2]=4 14 B8R1.2 BrCC1=CCCCC1 37274 [0,0,0,1,0,0|2,0,1]=4 15 B8R1.2 CCC1=NC=NC=C1 F17281 [0,0,0,1,0,0|2,0,1]=4 16 B8R1.2 O=CN1CCCCC1 D77795 [0,0,0,1,0,0|1,0,2]=4 17 B8R1.2 O=C[C@@H]1CCCCN1 62054 [0,0,0,1,0,0|1,0,2]=4 18 B8R1.2 O=C[C@@H]1CCCCO1 79885 [0,0,0,1,0,0|1,0,2]=4 19 B8R1.2 O=C[C@@H]1COCCO1 D78647 [0,0,0,1,0,0|2,0,1]=4 20 B8R1.2 O=C[C@H]1CCCOC1 79874 [0,0,0,1,0,0|1,0,1]=3 21 B8R1.5 C[C@@H]1OCCNC1=O AC4099 [0,0,0,1,0,0|2,0,1]=4 22 B8R1.5 C[C@H]1CCCCC1=O D77719 [0,0,0,1,0,0|0,0,2]=3 23 B8R1.5 C[C@H]1CCCOC1=O AB4082 [0,0,0,1,0,0|1,0,2]=4 24 B8R1.5 C[C@H]1COCCC1=O 27832 [0,0,0,1,0,0|1,0,1]=3 25 B8R1.5 C[C@H]1CSCCC1=O 70869 [0,0,0,1,0,0|1,0,1]=3 26 B8R1.5 N[C@H]1CCCCC1=O C16242 [0,0,0,1,0,0|1,0,2]=4 27 B8R1.5 O=C1CCOC[C@@H]1Br RB3241 [0,0,0,1,0,0|2,0,1]=4 28 B8R1.8 C=CC[C@H]1CCCN1 N16954 [0,0,0,1,0,0|2,0,1]=4 29 B8R1.8 O=CCC1CCCC1 F11683 [0,0,0,1,0,0|0,0,2]=3 30 B8R1.11 CCC1=CNN=C1C AC8755 [0,0,0,1,0,0|3,0,0]=4 31 B8R1.11 NC[C@H]1CCCC1=O 33703 [0,0,0,1,0,0|1,0,2]=4 32 B8R1.11 O=C1CCC=C1CO E70389 [0,0,0,1,0,0|1,0,0]=2 33 B8R1.11 O=C1CCC[C@@H]1CO C73905 [0,0,0,1,0,0|1,0,2]=4 34 B8R1.22 O=C1CCCCCN1 D94502 [0,0,0,1,0,0|1,0,2]=4 35 B8R1.22 O=C1CCCCNC1 50109 [0,0,0,1,0,0|1,0,2]=4 36 B8R1.22 O=C1CCCOCC1 P12770 [0,0,0,1,0,0|1,0,1]=3 37 B8R1.22 O=C1CCNCCN1 58405 [0,0,0,1,0,0|2,0,1]=4 38 B8R1.49 C1=CCCC=CCC1 A11943 [0,0,0,1,0,0|1,0,0]=2 39 B8R1.49 C1=CCCC=CCC1 C10709 [0,0,0,1,0,0|1,0,0]=2 40 B8R1.49 C1=CCCC=CCC1 D94664 [0,0,0,1,0,0|1,0,0]=2 41 B8R1.49 C1=CCCC=CCC1 F16608 [0,0,0,1,0,0|1,0,0]=2 42 B8R1.49 C1=CCCC=CCC1 F16639 [0,0,0,1,0,0|1,0,0]=2 43 B8R1.49 C1=CCCC=CCC1 H10532 [0,0,0,1,0,0|1,0,0]=2 44 B8R1.49 C1=CCCC=CCC1 O11699 [0,0,0,1,0,0|1,0,0]=2 45 B8R1.49 C1=CCCC=CCC1 S12179 [0,0,0,1,0,0|1,0,0]=2 46 B8R1.49 C1=CCCC=CCC1 T72889 [0,0,0,1,0,0|1,0,0]=2 47 B5R0.2 C#CCCC=C T71785 [2,0,0,0,0,0|1,0,1]=4 48 B5R0.2 C#CCCC=O 89357 [2,0,0,0,0,0|0,0,2]=4 49 B5R0.2 C=CCCNC W16107 [2,0,0,0,0,0|2,0,0]=4 50 B5R0.2 CCCCON 31644 [2,0,0,0,0,0|2,0,0]=4 51 B5R0.2 NC\C=C\CN E70437 [2,0,0,0,0,0|2,0,0]=4 52 B5R0.2 O=CCCCO 55817 [2,0,0,0,0,0|1,0,0]=3 53 B7R0.3 C=CCCC(=O)OC AT23749 [1,1,0,0,0,0|2,0,0]=4 54 B7R0.3 CCC(=O)OCCO A11774 [1,1,0,0,0,0|1,0,1]=4 55 B7R0.4 CC(=O)CCCCBr O11558 [1,1,0,0,0,0|1,0,1]=4 56 B7R0.4 CCCOCC(=O)O AC1647 [1,1,0,0,0,0|1,0,1]=4 57 B7R0.4 CCNCCC(N)=O AT24732 [1,1,0,0,0,0|1,0,0]=3 58 B7R0.4 CNCCCC(N)=O 21232 [1,1,0,0,0,0|1,0,1]=4 59 B7R0.4 COCCCC(=O)O 78063 [1,1,0,0,0,0|1,0,1]=4 60 B7R0.4 C\C=C/C=C/C(=O)O D86563 [1,1,0,0,0,0|0,0,2]=4 61 B7R0.7 CCNC(=O)CCCl Y14703 [1,1,0,0,0,0|2,0,0]=4 62 B9R0.5 CCOC(=O)CCCC=O N10598 [0,2,0,0,0,0|0,0,1]=3 63 B9R0.48 C=C(C)CCC(=O)OCC A11234 [0,2,0,0,0,0|2,0,0]=4 64 B9R0.48 CCNC(=S)NCC(=O)O W19340 [0,2,0,0,0,0|2,0,0]=4 65 B9R0.48 CCOC(=O)CC[N+](=O)[O-] F11926 [0,2,0,0,0,0|2,0,0]=4 66 B9R0.48 CCOC(=O)NCC(=O)O D76651 [0,2,0,0,0,0|2,0,0]=4 67 B9R0.2 CCCCCCCC(=O)[O-] F12023 [0,2,0,0,0,0|0,0,2]=4 68 B9R0.2 CCC\C=C/CCC(=O)O E70288 [0,2,0,0,0,0|0,0,0]=2 69 B9R0.2 COCCOCCC(=O)O C70448 [0,2,0,0,0,0|1,0,1]=4 70 B9R0.46 CCNCCCC(=O)OC 72977 [0,2,0,0,0,0|1,0,1]=4 71 B9R0.1 O=C(O)CCNC(=O)CCl W18663 [0,2,0,0,0,0|2,0,0]=4 72 B9R0.47 CCCCC[C@H](N)C(=O)O C10639 [0,2,0,0,0,0|0,0,2]=4 73 B9R0.47 CCCCC[C@H](N)C(=O)O C75217 [0,2,0,0,0,0|0,0,2]=4 74 B9R0.47 CCSCC[C@H](N)C(=O)O A12005 [0,2,0,0,0,0|1,0,1]=4 75 B9R0.55 CC(C)CCCCC(=O)O D95053 [0,2,0,0,0,0|0,0,2]=4 76 B9R0.55 O=C(O)\C=C\CCC(=O)O S11920 [0,2,0,0,0,0|1,0,1]=4 77 B7R1.1 BrCC1=CCCC1 37275 [1,0,0,1,0,0|1,0,1]=4 78 B7R1.1 C=CC1CCCC1 T72385 [1,0,0,1,0,0|1,0,1]=4 79 B7R1.1 CCC1=CNN=C1 72604 [1,0,0,1,0,0|2,0,0]=4 80 B7R1.1 COC1=CCCC1 D93350 [1,0,0,1,0,0|1,0,1]=4 81 B7R1.1 O=CC1=CCC=C1 77835 [1,0,0,1,0,0|0,0,2]=4 82 B7R1.1 O=CC1=CCCC1 26227 [1,0,0,1,0,0|0,0,2]=4 83 B7R1.3 C=C1CCNCC1 88914 [1,0,0,1,0,0|2,0,0]=4 84 B7R1.3 C=C1CCOCC1 84295 [1,0,0,1,0,0|2,0,0]=4 85 B7R1.3 N[C@@H]1C=CCCC1 D84435 [1,0,0,1,0,0|1,0,1]=4 86 B7R1.3 O=C1CCCCS1 D95162 [1,0,0,1,0,0|1,0,1]=4 87 B7R1.4 CC1=CCOC1=O T72100 [1,0,0,1,0,0|1,0,0]=3 88 B7R1.4 CN1C=CNC1=O F12570 [1,0,0,1,0,0|2,0,0]=4 89 B7R1.6 O=CCC1CCC1 55432 [1,0,0,1,0,0|0,0,1]=3 90 B7R1.6 O=CCC1COC1 CS2316 [1,0,0,1,0,0|1,0,1]=4 91 B7R1.8 CO[C@H]1CCC1=O P17941 [1,0,0,1,0,0|1,0,1]=4 92 B7R1.8 O=C1CC[C@@H]1CO P13853 [1,0,0,1,0,0|1,0,1]=4 93 B9R1.2 CCC1=CC(=O)CCC1 A10067 [0,1,0,1,0,0|0,0,1]=3 94 B9R1.2 CCC1=CC(=O)NN=C1 S11511 [0,1,0,1,0,0|2,0,0]=4 95 B9R1.2 CC[C@H]1CC(=O)CCO1 73975 [0,1,0,1,0,0|1,0,1]=4 96 B9R1.2 CSC1=NC(=O)CCN1 AC1460 [0,1,0,1,0,0|2,0,0]=4 97 B9R1.7 CCC[C@H]1CCC(=O)C1 A10517 [0,1,0,1,0,0|0,0,2]=4 98 B9R1.7 CCOC1=CC(=O)CC1 W16153 [0,1,0,1,0,0|1,0,0]=3 99 B9R1.8 O=CCC1CCCCC1 11388 [0,1,0,1,0,0|0,0,2]=4 100 B9R1.15 CCC1=CC=NNC1=O S11452 [0,1,0,1,0,0|1,0,1]=4 101 B9R1.15 CCC1=NC=CNC1=O S12194 [0,1,0,1,0,0|1,0,1]=4 102 B9R1.15 CCN1CCNCC1=O W18927 [0,1,0,1,0,0|1,0,1]=4 103 B9R1.15 CC[C@@H]1NCCCC1=O 63470 [0,1,0,1,0,0|0,0,2]=4 104 B9R1.15 CO[C@H]1COCCC1=O 37648 [0,1,0,1,0,0|1,0,1]=4 105 B9R1.33 O=C1CCCN1CCBr C77640 [0,1,0,1,0,0|1,0,1]=4 106 B9R1.48 C[C@H]1CCCCC(=O)N1 W19298 [0,1,0,1,0,0|0,0,2]=4 107 B9R1.50 O[C@@H]1C=CCCCCC1 AT23384 [0,1,0,1,0,0|1,0,1]=4 108 B9R1.50 O[C@@H]1CCC=CCCC1 C76726 [0,1,0,1,0,0|0,0,2]=4 109 B9R1.69 CC1CCC(C)C(=O)C1 T71472 [0,1,0,1,0,0|0,0,2]=4 110 B9R1.5 CN1CCNCCC1=O Y10618 [0,1,0,1,0,0|1,0,1]=4 111 B9R1.5 C[C@@H]1NCCCNC1=O F50270 [0,1,0,1,0,0|1,0,1]=4 112 B9R1.5 C[C@@H]1NCCCNC1=O F50344 [0,1,0,1,0,0|1,0,1]=4 113 B9R1.5 C[C@H]1CCNCCC1=O 73013 [0,1,0,1,0,0|0,0,2]=4 114 B9R1.5 O=C1CCNCC[C@@H]1Br 98344 [0,1,0,1,0,0|1,0,1]=4 115 B9R1.1 O=CC1CCC(=O)CC1 C77323 [0,1,0,1,0,0|0,0,1]=3 116 B9R1.3 CN1C(=O)CCCC1=O C74292 [0,1,0,1,0,0|1,0,1]=4 117 B9R1.21 CCC1=CSC(C=O)=N1 H10618 [0,1,0,1,0,0|1,0,1]=4 118 B9R1.118 CC1(C=O)CCOCC1 P15595 [0,1,0,1,0,0|1,0,1]=4 119 B9R1.132 CCN1OC[C@H](N)C1=O W15638 [0,1,0,1,0,0|2,0,0]=4 120 B9R1.6 NC(=O)C1CCNCC1 C75011 [0,1,0,1,0,0|1,0,1]=4 121 B9R1.6 NC(=O)[C@H]1CCCNC1 37191 [0,1,0,1,0,0|1,0,1]=4 122 B9R1.6 NC(=O)[C@H]1CCCNC1 64553 [0,1,0,1,0,0|1,0,1]=4 123 B9R1.6 NC(=O)[C@H]1CCCNC1 69862 [0,1,0,1,0,0|1,0,1]=4 124 B9R1.6 O=C(O)C1CCSCC1 24425 [0,1,0,1,0,0|1,0,1]=4 125 B9R1.6 O=C(O)[C@H]1CCCSC1 37673 [0,1,0,1,0,0|1,0,1]=4 126 B9R1.13 O=C(O)CC1=CCC=C1 78226 [0,1,0,1,0,0|0,0,2]=4 127 B9R1.13 O=C(O)C[C@H]1CCCN1 70865 [0,1,0,1,0,0|1,0,1]=4 128 B9R1.13 O=C(O)C[C@H]1CCCN1 F11179 [0,1,0,1,0,0|1,0,1]=4 129 B9R1.13 O=C(O)C[C@H]1CCCN1 F12356 [0,1,0,1,0,0|1,0,1]=4 130 B9R1.13 O=C(O)C[C@H]1CCCN1 P10210 [0,1,0,1,0,0|1,0,1]=4 131 B9R1.13 O=C(O)C[C@H]1CCNC1 50100 [0,1,0,1,0,0|1,0,1]=4 132 B9R1.13 O=C(O)C[C@H]1CCNC1 P10779 [0,1,0,1,0,0|1,0,1]=4 133 B9R1.13 O=C(O)C[C@H]1CCOC1 68888 [0,1,0,1,0,0|1,0,1]=4 134 B9R1.13 O=C(O)C[C@H]1CCOC1 68890 [0,1,0,1,0,0|1,0,1]=4 135 B9R1.40 CC1(C)COCCC1=O P12769 [0,1,0,1,0,0|1,0,1]=4 136 B9R1.59 CCOC1CC1C(=O)O C77470 [0,1,0,1,0,0|1,0,1]=4 137 B9R1.84 O=C(O)CCC1CCC1 86885 [0,1,0,1,0,0|0,0,2]=4 138 B9R1.84 O=C([O-])CCN1CCC1 F50895 [0,1,0,1,0,0|1,0,1]=4 139 B9R1.86 CCC1CC1CC(=O)O D79896 [0,1,0,1,0,0|0,0,2]=4 140 B9R1.96 CCN1CC[C@H]1C(=O)O P15973 [0,1,0,1,0,0|1,0,1]=4 141 B9R2.65 O=C[C@@H]1[C@H]2COC[C@H]21 P18294 [0,0,0,2,0,0|1,0,1]=4 142 B9R2.39 O=C1CC2CC1CN2 D84847 [0,0,0,2,0,0|1,0,1]=4 143 B9R2.109 O=C1CCCC2CC12 P10813 [0,0,0,2,0,0|0,0,2]=4 144 B9R2.5 O=C1CCCC12CC2 F51719 [0,0,0,2,0,0|0,0,2]=4