0 B7R0.1 CCCC\C=C\CO D90932 [0,0,0,0,0,0|0,0,4]=4 1 B7R0.1 CCC\C=C/CCC D91812 [0,0,0,0,0,0|1,0,3]=4 2 B7R0.1 CCC\C=C\CCC D91813 [0,0,0,0,0,0|1,0,3]=4 3 B7R0.1 CC\C=C/CCCC T71802 [0,0,0,0,0,0|1,0,3]=4 4 B7R0.1 CC\C=C/CCCO D90956 [0,0,0,0,0,0|0,0,4]=4 5 B7R0.1 CC\C=C\CCC=O D90892 [0,0,0,0,0,0|0,0,2]=2 6 B7R0.1 CC\C=C\CCCC D91811 [0,0,0,0,0,0|1,0,3]=4 7 B7R0.1 C\C=C\CCCCC D91810 [0,0,0,0,0,0|1,0,3]=4 8 B6R0.6 C=CCCCCC D90784 [1,0,0,0,0,0|0,0,3]=4 9 B6R0.6 C=CCC\C=C\C T71838 [1,0,0,0,0,0|0,0,3]=4 10 B6R0.6 C=CCSCCC F13976 [1,0,0,0,0,0|1,0,2]=4 11 B6R0.6 CCCC\C=C\I AT25371 [1,0,0,0,0,0|1,0,2]=4 12 B6R0.6 CCC\C=C/CO D90941 [1,0,0,0,0,0|0,0,3]=4 13 B6R0.6 CC\C=C\CCC D90967 [1,0,0,0,0,0|0,0,3]=4 14 B6R0.6 C\C=C/CCCC D90859 [1,0,0,0,0,0|0,0,3]=4 15 B6R0.6 C\C=C\CCCC D90785 [1,0,0,0,0,0|0,0,3]=4 16 B8R0.1 CC\C=C\C(=O)OCC D80177 [0,1,0,0,0,0|2,0,1]=4 17 B8R0.1 C\C=C\C(=O)CCCC T72492 [0,1,0,0,0,0|1,0,2]=4 18 B8R0.7 CCCC\C=C\C(C)=O D91847 [0,1,0,0,0,0|0,0,2]=3 19 B8R0.7 CCC\C=C/CC(=O)O D90865 [0,1,0,0,0,0|0,0,2]=3 20 B8R1.2 BrCC1=NC=CC=C1 D87709 [0,0,0,1,0,0|2,0,0]=3 21 B8R1.2 C#CC1=CC=CC=C1 D90456 [0,0,0,1,0,0|1,0,2]=4 22 B8R1.2 C=CC1=NC=CC=C1 91716 [0,0,0,1,0,0|1,0,2]=4 23 B8R1.2 C=C[C@@H]1CC=CCC1 D92779 [0,0,0,1,0,0|1,0,2]=4 24 B8R1.2 CCC1=CC=CN=C1 D87724 [0,0,0,1,0,0|2,0,0]=3 25 B8R1.2 CCC1=CC=NC=C1 D90449 [0,0,0,1,0,0|2,0,0]=3 26 B8R1.2 CCC1=NC=CC=C1 AT23190 [0,0,0,1,0,0|1,0,0]=2 27 B8R1.2 COC1=CCC=CC1 78369 [0,0,0,1,0,0|2,0,1]=4 28 B8R1.2 ClCC1=CC=NC=C1 D88171 [0,0,0,1,0,0|3,0,0]=4 29 B8R1.2 ICC1=CN=CC=C1 AC6646 [0,0,0,1,0,0|3,0,0]=4 30 B8R1.2 NCC1=CC=CC=C1 T70936 [0,0,0,1,0,0|2,0,0]=3 31 B8R1.2 NNC1=CC=CC=C1 D91920 [0,0,0,1,0,0|3,0,0]=4 32 B8R1.2 O=C[C@@H]1CC=CCC1 28448 [0,0,0,1,0,0|0,0,2]=3 33 B8R1.2 OCC1=NC=CC=N1 W13843 [0,0,0,1,0,0|3,0,0]=4 34 B8R1.5 CC1=C(N)C=CC=C1 C90102 [0,0,0,1,0,0|1,0,1]=3 35 B8R1.5 CC1=[N+](N)C=CC=C1 S12215 [0,0,0,1,0,0|2,0,1]=4 36 B8R1.5 FC1=C(F)C=CC=C1 36950 [0,0,0,1,0,0|2,0,1]=4 37 B8R1.5 NC1=C(Br)C=CC=C1 N12017 [0,0,0,1,0,0|2,0,1]=4 38 B8R1.5 NC1=C(N)C=CC=C1 D91918 [0,0,0,1,0,0|2,0,1]=4 39 B8R1.5 NC1=C(S)C=CC=C1 AT19637 [0,0,0,1,0,0|1,1,1]=4 40 B8R1.5 NC1=CC=CNC1=O D86077 [0,0,0,1,0,0|2,0,1]=4 41 B8R1.5 NC1=CNC=CC1=O D80314 [0,0,0,1,0,0|2,0,1]=4 42 B8R1.8 CCCC1=CC=CO1 D92136 [0,0,0,1,0,0|0,0,2]=3 43 B8R1.8 CCNC1=CC=CS1 23456 [0,0,0,1,0,0|1,1,0]=3 44 B8R1.8 NCCC1=CC=CS1 F14846 [0,0,0,1,0,0|1,1,1]=4 45 B8R1.8 O\N=C\C1=CC=CN1 71265 [0,0,0,1,0,0|3,0,0]=4 46 B8R1.11 CC1=C(C=O)C=CO1 AT17469 [0,0,0,1,0,0|1,0,1]=3 47 B8R1.11 CC1=C(C=O)OC=C1 AT17117 [0,0,0,1,0,0|1,0,1]=3 48 B8R1.11 NCC1=C(Br)SC=C1 AT16368 [0,0,0,1,0,0|3,0,0]=4 49 B8R1.49 C1=CC=CC=CC=C1 T71153 [0,0,0,1,0,0|1,0,2]=4 50 B8R1.49 C1=CC=CC=CC=C1 T71638 [0,0,0,1,0,0|1,0,2]=4 51 B5R0.2 C=CCOCC D88369 [2,0,0,0,0,0|1,0,1]=4 52 B5R0.2 C=CC\C=C\C F19222 [2,0,0,0,0,0|0,0,1]=3 53 B5R0.2 C=COCCC A10930 [2,0,0,0,0,0|1,0,1]=4 54 B5R0.2 CCO\C=C/Br 71052 [2,0,0,0,0,0|2,0,0]=4 55 B5R0.2 CC\C=C/CC D90855 [2,0,0,0,0,0|0,0,2]=4 56 B5R0.2 CC\C=C/CO 23141 [2,0,0,0,0,0|0,0,2]=4 57 B5R0.2 CC\C=C\CC D82999 [2,0,0,0,0,0|0,0,2]=4 58 B5R0.2 C\C=C/C=C/C D90841 [2,0,0,0,0,0|0,0,1]=3 59 B5R0.2 C\C=C/OCC D90589 [2,0,0,0,0,0|1,0,1]=4 60 B5R0.2 C\C=C\CCC D90853 [2,0,0,0,0,0|0,0,2]=4 61 B7R0.3 CCO\C=C(/C)C=O F11738 [1,1,0,0,0,0|1,0,0]=3 62 B7R0.4 C\C=C\C=C\C(C)=O D90780 [1,1,0,0,0,0|0,0,0]=2 63 B9R0.2 CCCCC\C=C\C(=O)O D91783 [0,2,0,0,0,0|0,0,2]=4 64 B9R0.2 CCCCC\C=C\C(C)=O D91739 [0,2,0,0,0,0|0,0,2]=4 65 B9R0.2 CCCC\C=C\CC(=O)O D84200 [0,2,0,0,0,0|0,0,2]=4 66 B9R0.45 CC\C=C\C\C=C\CCO D91741 [0,2,0,0,0,0|0,0,2]=4 67 B7R1.1 CCC1=CC=CN1 D90555 [1,0,0,1,0,0|1,0,0]=3 68 B7R1.1 CCN1C=CC=C1 F17504 [1,0,0,1,0,0|1,0,0]=3 69 B7R1.1 COC1=CC=CO1 F10347 [1,0,0,1,0,0|1,0,1]=4 70 B7R1.1 CSC1=CC=CS1 77890 [1,0,0,1,0,0|1,1,0]=4 71 B7R1.1 NCC1=CC=CO1 AT17186 [1,0,0,1,0,0|1,0,1]=4 72 B7R1.1 O=CC1=CC=NN1 O10411 [1,0,0,1,0,0|2,0,0]=4 73 B7R1.3 CC1=CCC=CC1 D91336 [1,0,0,1,0,0|1,0,1]=4 74 B7R1.3 C[N+]1=CC=CC=C1 D91621 [1,0,0,1,0,0|1,0,0]=3 75 B7R1.3 F[N+]1=CC=CC=C1 D90663 [1,0,0,1,0,0|2,0,0]=4 76 B7R1.3 [Mg+]C1=CC=CC=C1 F20531 [1,0,0,1,0,0|1,0,1]=4 77 B7R1.4 CC1=C(C)SC=C1 C16125 [1,0,0,1,0,0|2,0,0]=4 78 B7R1.4 CN1SC=CC1=O F21330 [1,0,0,1,0,0|2,0,0]=4 79 B7R1.24 C1=CC=CCC=C1 D89271 [1,0,0,1,0,0|0,0,1]=3 80 B7R1.24 C1=CC=C[CH+]C=C1 D92453 [1,0,0,1,0,0|0,0,2]=4 81 B7R1.24 C1=CC=C[CH+]C=C1 T72246 [1,0,0,1,0,0|0,0,2]=4 82 B9R1.2 C#CC1=CC=CC(=O)N1 D81685 [0,1,0,1,0,0|0,0,2]=4 83 B9R1.2 CC1=CC(CCl)=NC=C1 C15707 [0,1,0,1,0,0|2,0,0]=4 84 B9R1.2 CC1=CC=CC(CS)=C1 AT13701 [0,1,0,1,0,0|2,0,0]=4 85 B9R1.2 CNC1=CC=CC(Br)=N1 AT21378 [0,1,0,1,0,0|2,0,0]=4 86 B9R1.2 COC1=CC(N)=CC=C1 D88266 [0,1,0,1,0,0|2,0,0]=4 87 B9R1.2 FC1=CC=CC(CS)=C1 AT13684 [0,1,0,1,0,0|2,0,0]=4 88 B9R1.2 NCC1=CC=CC(F)=N1 24135 [0,1,0,1,0,0|2,0,0]=4 89 B9R1.2 OC1=CC=CC(CCl)=C1 D84184 [0,1,0,1,0,0|1,0,1]=4 90 B9R1.8 CNCC1=NC=CN=C1 P10399 [0,1,0,1,0,0|2,0,0]=4 91 B9R1.8 CNCC1=NC=NC=C1 AT18327 [0,1,0,1,0,0|2,0,0]=4 92 B9R1.8 CNCC1=NC=NC=C1 I11999 [0,1,0,1,0,0|2,0,0]=4 93 B9R1.8 CSCC1=CC=CC=C1 D88728 [0,1,0,1,0,0|1,0,0]=3 94 B9R1.8 CSCC1=CN=CC=C1 E72352 [0,1,0,1,0,0|2,0,0]=4 95 B9R1.8 C\C=C/C1=CC=CC=C1 D91456 [0,1,0,1,0,0|1,0,1]=4 96 B9R1.8 C\C=C\C1=CC=CC=C1 H10852 [0,1,0,1,0,0|1,0,1]=4 97 B9R1.8 ClCCC1=NC=CC=C1 D83590 [0,1,0,1,0,0|1,0,0]=3 98 B9R1.15 CC1=C(CCl)C=CC=C1 22011 [0,1,0,1,0,0|1,0,1]=4 99 B9R1.15 CC1=C(CN)C=CN=C1 F30519 [0,1,0,1,0,0|2,0,0]=4 100 B9R1.15 CC1=C(CS)C=CC=C1 AT13699 [0,1,0,1,0,0|0,1,1]=4 101 B9R1.15 CCC1=C(N)C=CC=C1 CK1167 [0,1,0,1,0,0|1,0,0]=3 102 B9R1.15 CCC1=C([S-])C=CC=C1 D90553 [0,1,0,1,0,0|0,1,0]=3 103 B9R1.15 CC[N+]1=C(C)C=CC=C1 D90603 [0,1,0,1,0,0|1,0,0]=3 104 B9R1.15 CNC1=C(Br)C=NC=C1 N10505 [0,1,0,1,0,0|2,0,0]=4 105 B9R1.15 COC1=CC=CN=C1I D73279 [0,1,0,1,0,0|2,0,0]=4 106 B9R1.15 CSC1=C(F)C=CC=C1 D90680 [0,1,0,1,0,0|1,0,1]=4 107 B9R1.15 ClC1=C(CBr)C=CC=N1 A10611 [0,1,0,1,0,0|2,0,0]=4 108 B9R1.15 ClCC1=C(Br)C=CC=C1 H11765 [0,1,0,1,0,0|1,0,1]=4 109 B9R1.15 FC1=C(CS)C=CC=C1 AT13683 [0,1,0,1,0,0|1,0,1]=4 110 B9R1.15 FC1=CC=CN=C1CBr P13399 [0,1,0,1,0,0|2,0,0]=4 111 B9R1.15 NCC1=C(O)C=CC=C1 O10497 [0,1,0,1,0,0|0,0,2]=4 112 B9R1.15 O=CC1=CC=CNC1=O 34796 [0,1,0,1,0,0|1,0,1]=4 113 B9R1.15 OCC1=C(O)C=CC=N1 S12139 [0,1,0,1,0,0|1,0,1]=4 114 B9R1.22 CC1=CC(C=O)=C(C)N1 AT16327 [0,1,0,1,0,0|1,0,1]=4 115 B9R1.33 CNCC1=CC=CN1C AT16163 [0,1,0,1,0,0|2,0,0]=4 116 B9R1.69 CC1=C(C)C=C([S-])C=C1 D90179 [0,1,0,1,0,0|1,0,1]=4 117 B9R1.69 CC1=C(F)C=CC(S)=C1 76113 [0,1,0,1,0,0|1,0,1]=4 118 B9R1.69 CC1=C(N)C=CC(Cl)=C1 D89231 [0,1,0,1,0,0|1,0,1]=4 119 B9R1.69 CN1C=C(N)C=CC1=O P12636 [0,1,0,1,0,0|1,0,0]=3 120 B9R1.14 CCC1=CNC=C1CC F10353 [0,1,0,1,0,0|1,0,1]=4 121 B9R1.14 CCN1N=CN=C1C=O AT12472 [0,1,0,1,0,0|2,0,0]=4 122 B9R1.1 BC1=CC=C(OC)C=C1 F10893 [0,1,0,1,0,0|2,0,0]=4 123 B9R1.1 CC1=CC=C(CS)C=C1 D91373 [0,1,0,1,0,0|2,0,0]=4 124 B9R1.1 CCC1=CC=C(S)C=C1 H11883 [0,1,0,1,0,0|1,0,0]=3 125 B9R1.1 CCC1=CN=C(C)C=C1 D88165 [0,1,0,1,0,0|2,0,0]=4 126 B9R1.1 CSC1=CC=C(C)C=C1 D91411 [0,1,0,1,0,0|2,0,0]=4 127 B9R1.1 FC1=CC=C(CS)C=C1 AT13678 [0,1,0,1,0,0|2,0,0]=4 128 B9R1.1 NCC1=CC=C(F)C=C1 D90701 [0,1,0,1,0,0|2,0,0]=4 129 B9R1.1 NCC1=CC=C(O)C=C1 A10196 [0,1,0,1,0,0|2,0,0]=4 130 B9R1.1 O=CC1=CN=C(O)C=C1 BL005396 [0,1,0,1,0,0|1,0,1]=4 131 B9R1.1 SCC1=CC=C(Br)C=C1 A12220 [0,1,0,1,0,0|2,0,0]=4 132 B9R1.3 CC1=C(Cl)C=CC=C1Cl 36898 [0,1,0,1,0,0|1,0,1]=4 133 B9R1.3 CN1C(=O)C=CC=C1Cl O11568 [0,1,0,1,0,0|1,0,0]=3 134 B9R1.3 CN1C=CNC(=O)C1=O AT13889 [0,1,0,1,0,0|2,0,0]=4 135 B9R1.11 CCC(=O)C1=CC=CO1 N11989 [0,1,0,1,0,0|0,0,1]=3 136 B9R1.11 CC[C@H](N)C1=CC=CS1 N12365 [0,1,0,1,0,0|0,1,1]=4 137 B9R1.11 COC(=N)C1=CC=CS1 77279 [0,1,0,1,0,0|1,1,0]=4 138 B9R1.21 CCC1=CC=C(C=O)O1 F14735 [0,1,0,1,0,0|0,0,0]=2 139 B9R1.132 CC1=CC=C(C=O)N1C AT16213 [0,1,0,1,0,0|1,0,0]=3 140 B9R1.6 CN(C)C1=CC=CC=C1 D95371 [0,1,0,1,0,0|2,0,0]=4 141 B9R1.6 CN(N)C1=CC=CC=C1 Y14873 [0,1,0,1,0,0|2,0,0]=4 142 B9R1.6 CP(C)C1=CC=CC=C1 D90262 [0,1,0,1,0,0|2,0,0]=4 143 B9R1.6 C[C@H](Cl)C1=CC=CC=C1 A10187 [0,1,0,1,0,0|1,0,0]=3 144 B9R1.6 C[C@H](N)C1=NC=CC=C1 90515 [0,1,0,1,0,0|1,0,0]=3 145 B9R1.6 O=C([O-])C1=NC=CC=C1 D91960 [0,1,0,1,0,0|1,0,1]=4 146 B9R1.13 CN(C)C=C1C=CC=C1 C76211 [0,1,0,1,0,0|2,0,0]=4 147 B9R1.13 C[C@H](N)CC1=CC=CS1 AT16733 [0,1,0,1,0,0|0,1,1]=4 148 B9R1.41 CC1=C(C(N)=O)SC=C1 30332 [0,1,0,1,0,0|1,0,1]=4 149 B9R1.41 CN1C=CN=C1C(=O)[O-] AT15611 [0,1,0,1,0,0|2,0,0]=4 150 B9R2.50 C1=CC2=C(C=C1)CC2 F15000 [0,0,0,2,0,0|1,0,0]=3