0 B10R1.21 C1=COC(=C1)CSCCN F156651 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.21 CCCCCC1=CC=CO1 P103007 [0,0,0,0,0,0|0,0,0]=0 2 B10R1.21 CCCCCC1=CC=CS1 P160668 [0,0,0,0,0,0|0,1,0]=1 3 B10R1.21 CCCCCN1C=CN=C1 P330951 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.12 C1=CN(C=C1)CCCBr B152723 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.12 C1=CN(C=C1)CCCO H157253 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.12 C1=COC(=C1)CN=C=O B301379 [1,0,0,0,0,0|2,0,1]=4 7 B9R1.12 C1=COC(=C1)CSC=O S161330 [1,0,0,0,0,0|2,0,1]=4 8 B9R1.12 CCCCC1=CC=CO1 B152372 [1,0,0,0,0,0|0,0,0]=1 9 B9R1.12 CCCCC1=CC=CS1 N189024 [1,0,0,0,0,0|0,1,0]=2 10 B9R1.12 CCCCC1=CSC=C1 B100752 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.12 CCCCC1=NC=CN1 B152375 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.12 CCCCN1C=CN=C1 B152373 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.12 CSSCC1=CC=CO1 F103101 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.4 CCCCCCC1=CC=CS1 H111808 [0,1,0,0,0,0|0,1,0]=2 15 B11R1.4 CCCCCCC1=CSC=C1 H110541 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.4 CCCCCCN1C=CN=C1 H189113 [0,1,0,0,0,0|3,0,0]=4 17 B11R1.4 CCCCCCN1C=CN=C1 H406316 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.25 CCC(=O)SCC1=CC=CO1 F464899 [0,1,0,0,0,0|1,0,1]=3 19 B11R1.25 CCC(=O)SCC1=CC=CO1 S161331 [0,1,0,0,0,0|1,0,1]=3 20 B11R1.27 CCCCCC1CCC(=O)O1 N101430 [0,1,0,0,0,0|0,0,3]=4 21 B11R1.27 CCCCCN1C=C[N+](=C1)C M588370 [0,1,0,0,0,0|3,0,0]=4 22 B11R1.27 CCCCCN1C=C[N+](=C1)C M588550 [0,1,0,0,0,0|3,0,0]=4 23 B11R1.29 CCCOC(=O)C1=CC=CO1 P160281 [0,1,0,0,0,0|1,0,1]=3 24 B11R1.29 CNCCC(=O)C1=CC=CS1 M589779 [0,1,0,0,0,0|1,1,1]=4 25 B11R1.29 CNCCC(C1=CC=CS1)O S160977 [0,1,0,0,0,0|1,1,0]=3 26 B11R1.30 CCOC(=O)CC1=CC=CS1 E341558 [0,1,0,0,0,0|1,1,1]=4 27 B11R1.172 C1=CSC(=C1)CCCC(=O)O T472466 [0,1,0,0,0,0|1,1,1]=4 28 B11R1.180 CCCCCC1=CCCC1=O P160131 [0,1,0,0,0,0|1,0,2]=4 29 B9R0.5 CCCCCC(=O)OC=C V162949 [0,0,1,0,0,0|1,0,0]=2 30 B9R0.5 CCCCCC(=O)OCC E103497 [0,0,1,0,0,0|1,0,2]=4 31 B9R0.5 CCCCCC(=O)OCC E103498 [0,0,1,0,0,0|1,0,2]=4 32 B9R0.5 CCCCCC(=O)OCC E103499 [0,0,1,0,0,0|1,0,2]=4 33 B9R0.5 CCCCOC(=O)C=CC B152883 [0,0,1,0,0,0|1,0,2]=4 34 B9R0.5 CCCCOC(=O)C=CC B293404 [0,0,1,0,0,0|1,0,2]=4 35 B9R0.45 CCCCC=CC=CC=O N102611 [0,0,1,0,0,0|0,0,2]=3 36 B9R0.45 CCCCCC=CCCO C153389 [0,0,1,0,0,0|0,0,2]=3 37 B9R0.45 CCCCCCC=CC=O T162631 [0,0,1,0,0,0|0,0,2]=3 38 B9R0.45 CCCCCCC=CCO C153388 [0,0,1,0,0,0|0,0,2]=3 39 B9R0.45 CCCCCCC=CCO T162746 [0,0,1,0,0,0|0,0,2]=3 40 B9R0.45 CCCCCCCCC=C D106872 [0,0,1,0,0,0|1,0,2]=4 41 B9R0.45 CCCCCCCCC=C D106873 [0,0,1,0,0,0|1,0,2]=4 42 B11R2.2 C1COC(O1)C2=CC=CO2 D155499 [0,0,0,1,0,0|2,0,0]=3 43 B11R2.2 C1COC(O1)C2=CC=CS2 T162831 [0,0,0,1,0,0|2,1,0]=4 44 B11R2.106 C1CC2=C(C=CN2)C(=O)C1 T161530 [0,0,0,1,0,0|2,0,1]=4 45 B11R2.106 C1CC2=C(C=CO2)C(=O)C1 D104210 [0,0,0,1,0,0|1,0,1]=3 46 B11R2.106 C1CC2=C(C=CS2)C(=O)C1 D119131 [0,0,0,1,0,0|1,1,1]=4 47 B11R1.28 C1=CC=C(C=C1)CCCCBr B140194 [0,0,0,0,0,1|2,0,0]=3 48 B11R1.28 C1=CC=C(C=C1)CCCCCl P404858 [0,0,0,0,0,1|2,0,0]=3 49 B11R1.28 C1=CC=C(C=C1)CCCCN B292880 [0,0,0,0,0,1|2,0,0]=3 50 B11R1.28 C1=CC=C(C=C1)CCCCN P160136 [0,0,0,0,0,1|2,0,0]=3 51 B11R1.28 C1=CC=C(C=C1)CCCCN P160137 [0,0,0,0,0,1|2,0,0]=3 52 B11R1.28 C1=CC=C(C=C1)CCCCN P493282 [0,0,0,0,0,1|2,0,0]=3 53 B11R1.28 C1=CC=C(C=C1)CCCCO P138687 [0,0,0,0,0,1|2,0,0]=3 54 B11R1.28 C1=CC=C(C=C1)CNCCN B124211 [0,0,0,0,0,1|3,0,0]=4 55 B11R1.28 C1=CC=C(C=C1)CNCCO B111181 [0,0,0,0,0,1|3,0,0]=4 56 B11R1.28 C1=CC=C(C=C1)COCCBr B107737 [0,0,0,0,0,1|3,0,0]=4 57 B11R1.28 C1=CC=C(C=C1)COCCCl B132425 [0,0,0,0,0,1|3,0,0]=4 58 B11R1.28 C1=CC=C(C=C1)COCCN B193115 [0,0,0,0,0,1|3,0,0]=4 59 B11R1.28 C1=CC=C(C=C1)COCCO B111396 [0,0,0,0,0,1|3,0,0]=4 60 B11R1.28 C1=CC=C(C=C1)CSCCO B140387 [0,0,0,0,0,1|3,0,0]=4 61 B11R1.28 C1=CC=C(C=C1)NCCCO A151778 [0,0,0,0,0,1|3,0,0]=4 62 B11R1.28 C1=CC=C(C=C1)OCCCBr P160566 [0,0,0,0,0,1|3,0,0]=4 63 B11R1.28 C1=CC=C(C=C1)OCCCN P353595 [0,0,0,0,0,1|3,0,0]=4 64 B11R1.28 C1=CC=C(C=C1)OCCCO P160296 [0,0,0,0,0,1|3,0,0]=4 65 B11R1.28 C1=CN=CC=C1CCCCO P193755 [0,0,0,0,0,1|2,0,0]=3 66 B11R1.28 CCCC#CC1=CC=CC=C1 P404844 [0,0,0,0,0,1|1,0,2]=4 67 B11R1.28 CCCCCC1=CC=CC=C1 A151374 [0,0,0,0,0,1|1,0,0]=2 68 B11R1.28 CCCCCC1=CC=CC=N1 A132572 [0,0,0,0,0,1|1,0,0]=2 69 B11R1.28 CCCCCC1=CC=NC=C1 A151146 [0,0,0,0,0,1|1,0,0]=2 70 B11R1.28 CCCCCC1=NC=CN=C1 P345021 [0,0,0,0,0,1|1,0,0]=2 71 B11R1.28 CCCCNC1=CC=CC=C1 B140175 [0,0,0,0,0,1|2,0,0]=3 72 B11R1.28 CCCCNC1=CC=CC=C1 N590954 [0,0,0,0,0,1|2,0,0]=3 73 B11R1.28 CCCCOC1=CC=CC=C1 B153006 [0,0,0,0,0,1|2,0,0]=3 74 B11R1.28 CCCNCC1=CC=CC=C1 N191934 [0,0,0,0,0,1|2,0,0]=3 75 B11R1.28 CNCCOC1=CC=CC=C1 N169984 [0,0,0,0,0,1|3,0,0]=4 76 B11R1.28 OCCSCc1ccccc1 H109405 [0,0,0,0,0,1|3,0,0]=4 77 B8R0.1 CCCCC(=O)C=CC O160046 [1,0,1,0,0,0|0,0,2]=4 78 B8R0.4 CCCCC=CCCO C153378 [1,0,1,0,0,0|0,0,2]=4 79 B8R0.4 CCCCCC=CC=O O105936 [1,0,1,0,0,0|0,0,1]=3 80 B8R0.4 CCCCCC=CC=O O303154 [1,0,1,0,0,0|0,0,1]=3 81 B8R0.4 CCCCCC=CCO T161811 [1,0,1,0,0,0|0,0,1]=3 82 B8R0.4 CCCCCCCC=C N109555 [1,0,1,0,0,0|0,0,2]=4 83 B8R0.4 CCCCCCCC=C N110481 [1,0,1,0,0,0|0,0,2]=4 84 B8R0.4 CCCCCCOC=O H113684 [1,0,1,0,0,0|1,0,1]=4 85 B8R0.6 CCCCCC(=O)C=C O160047 [1,0,1,0,0,0|0,0,1]=3 86 B8R0.6 CCCCCC(=O)OC M112312 [1,0,1,0,0,0|1,0,1]=4 87 B8R0.6 CCCCCC(=O)OC M112313 [1,0,1,0,0,0|1,0,1]=4 88 B8R0.6 CCCCCC(=O)OC M112314 [1,0,1,0,0,0|1,0,1]=4 89 B8R0.6 CCCCCC(C=C)O O102968 [1,0,1,0,0,0|0,0,1]=3 90 B8R0.6 CCCCCC(C=C)O S463982 [1,0,1,0,0,0|0,0,1]=3 91 B8R0.6 CCCCNC(=O)C=C N405436 [1,0,1,0,0,0|1,0,1]=4 92 B8R0.6 CCCCOC(=O)C=C B100034 [1,0,1,0,0,0|1,0,1]=4 93 B8R0.6 CCCCOC(=O)C=C B100035 [1,0,1,0,0,0|1,0,1]=4 94 B8R0.6 CCCCOC(=O)C=C B100036 [1,0,1,0,0,0|1,0,1]=4 95 B8R0.6 CCCCOC(=O)C=C B100037 [1,0,1,0,0,0|1,0,1]=4 96 B8R1.8 C1=CSC(=C1)CCN T107627 [2,0,0,0,0,0|1,1,0]=4 97 B8R1.8 C1=CSC(=C1)CCN T493549 [2,0,0,0,0,0|1,1,0]=4 98 B8R1.8 C1=CSC(=C1)CCO T107405 [2,0,0,0,0,0|1,1,0]=4 99 B8R1.8 CCCC1=CC=CO1 P160277 [2,0,0,0,0,0|0,0,0]=2 100 B8R1.8 CCCC1=CC=CS1 P167542 [2,0,0,0,0,0|0,1,0]=3 101 B8R1.8 CCCC1=CSC=C1 P160669 [2,0,0,0,0,0|2,0,0]=4 102 B8R1.8 CCCC1=NC=CN1 P135164 [2,0,0,0,0,0|2,0,0]=4 103 B8R1.8 CCCC1=NC=CS1 P160319 [2,0,0,0,0,0|1,1,0]=4 104 B8R1.8 CNCC1=CC=CO1 I170508 [2,0,0,0,0,0|1,0,0]=3 105 B8R1.8 CSCC1=CC=CO1 F102908 [2,0,0,0,0,0|1,0,0]=3 106 B10R0.91 CCCCCC(=O)C=CC=O O274680 [0,1,1,0,0,0|0,0,1]=3 107 B10R0.91 CCCCCC(=O)OCC=C A109767 [0,1,1,0,0,0|1,0,0]=3 108 B10R0.91 CCCCCC(C=CC=O)O H274882 [0,1,1,0,0,0|0,0,1]=3 109 B10R0.4 B(C=CCCCCCC)(O)O I170305 [0,1,1,0,0,0|1,0,1]=4 110 B10R0.4 CCCCCCC=CC(=O)C D154240 [0,1,1,0,0,0|0,0,2]=4 111 B10R0.4 CCCCCCC=CC(=O)O N303594 [0,1,1,0,0,0|0,0,1]=3 112 B10R0.71 CCCCCC=CC=CC=O D107642 [0,1,1,0,0,0|0,0,1]=3 113 B10R0.71 CCCCCC=CC=CC=O D303153 [0,1,1,0,0,0|0,0,1]=3 114 B10R0.71 CCCCCC=CCCCO C153573 [0,1,1,0,0,0|0,0,2]=4 115 B10R0.71 CCCCCCCC=CC=O D117855 [0,1,1,0,0,0|0,0,2]=4 116 B10R0.74 CCCCCC=CC(=O)OC M158154 [0,1,1,0,0,0|2,0,0]=4 117 B10R0.74 CCCCCCOC(=O)C=C H156906 [0,1,1,0,0,0|0,0,1]=3 118 B10R1.11 C1=CSC(=C1)C(CCCl)O A354219 [1,1,0,0,0,0|1,1,0]=4 119 B10R1.11 C=CCC(C1=CC=CO1)O F404484 [1,1,0,0,0,0|0,0,2]=4 120 B10R1.11 CCOC(=O)C1=CC=CO1 E156335 [1,1,0,0,0,0|1,0,1]=4 121 B10R1.11 CCOC(=O)C1=CC=CO1 E302418 [1,1,0,0,0,0|1,0,1]=4 122 B10R1.16 CC1=CC=C(O1)CCC=O M157833 [1,1,0,0,0,0|1,0,1]=4 123 B10R1.29 CCCCC1=C(SC=C1)Br B152941 [1,1,0,0,0,0|2,0,0]=4 124 B10R1.66 C1=COC(=C1)CCC(=O)O F188394 [1,1,0,0,0,0|1,0,1]=4 125 B10R1.66 CC(=O)OCC1=CC=CO1 F116599 [1,1,0,0,0,0|1,0,1]=4 126 B10R1.66 CC(=O)SCC1=CC=CO1 F103056 [1,1,0,0,0,0|1,0,1]=4 127 B10R1.66 CC(C)SCC1=CC=CO1 F133262 [1,1,0,0,0,0|1,0,0]=3 128 B12R1.1 CCCCCC1=CC=C(C=C1)Br P115517 [0,1,0,0,0,1|1,0,0]=3 129 B12R1.1 CCCCCC1=CC=C(C=C1)N A151044 [0,1,0,0,0,1|1,0,0]=3 130 B12R1.1 CCCCCC1=CC=C(C=C1)O A131897 [0,1,0,0,0,1|1,0,0]=3 131 B12R1.1 CCCCOC1=CC=C(C=C1)N B151816 [0,1,0,0,0,1|2,0,0]=4 132 B12R1.1 CCCCOC1=CC=C(C=C1)O B152847 [0,1,0,0,0,1|2,0,0]=4 133 B12R1.8 C1=CC=C(C=C1)CCCCCBr B404856 [0,1,0,0,0,1|1,0,0]=3 134 B12R1.8 C1=CC=C(C=C1)CCCCCO P160162 [0,1,0,0,0,1|1,0,0]=3 135 B12R1.8 C1=CC=C(C=C1)CNCCCN N158976 [0,1,0,0,0,1|2,0,0]=4 136 B12R1.8 C1=CC=C(C=C1)CNCCCO B151809 [0,1,0,0,0,1|2,0,0]=4 137 B12R1.8 C1=CC=C(C=C1)COCCCBr B111397 [0,1,0,0,0,1|2,0,0]=4 138 B12R1.8 C1=CC=C(C=C1)COCCCBr B165144 [0,1,0,0,0,1|2,0,0]=4 139 B12R1.8 C1=CC=C(C=C1)COCCCO B151933 [0,1,0,0,0,1|2,0,0]=4 140 B12R1.8 C1=CC=C(C=C1)OCCCCBr P160718 [0,1,0,0,0,1|2,0,0]=4 141 B12R1.8 C1=CC=C(C=C1)OCCCCCl P335977 [0,1,0,0,0,1|2,0,0]=4 142 B12R1.8 CCCCC#CC1=CC=CC=C1 P160657 [0,1,0,0,0,1|1,0,1]=4 143 B12R1.8 CCCCCCC1=CC=CC=C1 H107002 [0,1,0,0,0,1|1,0,0]=3 144 B12R1.8 CCCCCCC1=CC=CC=C1 H107003 [0,1,0,0,0,1|1,0,0]=3 145 B12R1.8 CCCCCC[N+]1=CC=CC=C1 H157301 [0,1,0,0,0,1|2,0,0]=4 146 B12R1.8 CCCCCC[N+]1=CC=CC=C1 N304538 [0,1,0,0,0,1|2,0,0]=4 147 B12R1.8 CCCCNCC1=CC=CC=C1 N159171 [0,1,0,0,0,1|1,0,0]=3 148 B12R1.28 CCCCCC1=CC=CC(=O)O1 P134904 [0,1,0,0,0,1|0,0,0]=2 149 B12R1.28 CCCCOC1=CC=CC(=C1)O B152843 [0,1,0,0,0,1|2,0,0]=4 150 B12R1.30 CCCCC(=O)C1=CC=CC=C1 V107009 [0,1,0,0,0,1|1,0,1]=4 151 B12R1.30 CCCCC(C1=CC=CC=C1)O P160160 [0,1,0,0,0,1|1,0,0]=3 152 B12R1.30 CCCCC(C1=CC=CC=C1)O P424881 [0,1,0,0,0,1|1,0,0]=3 153 B12R1.30 CNCCC(C1=CC=CC=C1)O A136323 [0,1,0,0,0,1|2,0,0]=4 154 B12R1.252 CC(COCC1=CC=CC=C1)O B123078 [0,1,0,0,0,1|2,0,0]=4 155 B12R1.252 CC(COCC1=CC=CC=C1)O B123080 [0,1,0,0,0,1|2,0,0]=4 156 B12R1.7 CCCCCCC1=CC=C(S1)Br B140304 [0,2,0,0,0,0|0,1,0]=3 157 B12R1.7 CCCCCCC1=CSC(=C1)Br B153079 [0,2,0,0,0,0|2,0,0]=4 158 B12R1.35 CCCCCC(=O)C1=CC=CO1 H339726 [0,2,0,0,0,0|0,0,0]=2 159 B12R1.37 CCCCCCCC1=CSC=C1 H136693 [0,2,0,0,0,0|2,0,0]=4 160 B12R1.372 CCCCCCC1=C(SC=C1)Br B100758 [0,2,0,0,0,0|2,0,0]=4 161 B12R1.372 CCCCCCC1=C(SC=C1)Cl C153407 [0,2,0,0,0,0|2,0,0]=4 162 B12R1.54 CN(C)CCC(C1=CC=CS1)O D155818 [0,2,0,0,0,0|1,1,0]=4 163 B12R1.54 CN(C)CCC(C1=CC=CS1)O S160970 [0,2,0,0,0,0|1,1,0]=4 164 B10R1.19 C=CN1CCCCCC1=O N159777 [0,0,1,1,0,0|1,0,1]=4 165 B10R1.19 C=CN1CCCCCC1=O N299077 [0,0,1,1,0,0|1,0,1]=4 166 B10R1.4 CCCC1=CC=CC=C1O P160564 [0,0,1,1,0,0|0,0,2]=4 167 B10R1.17 CCCCC1=CC=CC=C1 B100020 [0,0,1,1,0,0|1,0,1]=4 168 B10R1.17 CCCCC1=CC=CC=C1 B100021 [0,0,1,1,0,0|1,0,1]=4 169 B10R1.17 CCCCC1=CC=CC=C1 B128171 [0,0,1,1,0,0|1,0,1]=4 170 B10R1.17 CCCCC1=CN=CC=C1 B115782 [0,0,1,1,0,0|1,0,1]=4 171 B10R1.17 CCCC[N+]1=CC=CC=C1 B101511 [0,0,1,1,0,0|2,0,0]=4 172 B10R1.17 CCCC[N+]1=CC=CC=C1 B102654 [0,0,1,1,0,0|2,0,0]=4 173 B10R1.17 CCCC[N+]1=CC=CC=C1 B102663 [0,0,1,1,0,0|2,0,0]=4 174 B10R1.17 CCCC[N+]1=CC=CC=C1 B120504 [0,0,1,1,0,0|2,0,0]=4 175 B10R2.7 C1CCC2=C(C1)C=CN2 T167082 [1,0,0,1,0,0|1,0,0]=3 176 B10R2.7 C1CCC2=C(C1)C=NN2 T168817 [1,0,0,1,0,0|2,0,0]=4 177 B10R2.7 C1CCC2=C(C1)NC=N2 T193061 [1,0,0,1,0,0|2,0,0]=4 178 B10R2.7 C1CNCC2=C1SC=C2 T135979 [1,0,0,1,0,0|1,1,0]=4 179 B10R2.7 C1CNCC2=C1SC=C2 T137162 [1,0,0,1,0,0|1,1,0]=4 180 B12R2.2 C1CC(NC1)C2=CC=CC=C2 P345688 [0,0,0,1,0,1|2,0,0]=4 181 B12R2.2 C1CC(NC1)C2=CC=CC=C2 R176807 [0,0,0,1,0,1|2,0,0]=4 182 B12R2.2 C1CC(NC1)C2=CN=CC=C2 N113829 [0,0,0,1,0,1|2,0,0]=4 183 B12R2.2 C1CCN(C1)C2=CC=CC=C2 P332600 [0,0,0,1,0,1|2,0,0]=4 184 B12R2.2 C1CCN(C1)C2=CC=NC=C2 P121075 [0,0,0,1,0,1|2,0,0]=4 185 B12R2.1081 C1CC(C2=CC=CC=C2C1)N T102999 [0,0,0,1,0,1|2,0,0]=4 186 B12R2.1081 C1CC(C2=CC=CC=C2C1)N T113718 [0,0,0,1,0,1|2,0,0]=4 187 B12R2.1081 C1CC(C2=CC=CC=C2C1)N T113722 [0,0,0,1,0,1|2,0,0]=4 188 B12R2.1081 C1CC(C2=CC=CC=C2C1)N T401554 [0,0,0,1,0,1|2,0,0]=4 189 B12R2.1081 C1CC(C2=CC=CC=C2C1)O R160835 [0,0,0,1,0,1|2,0,0]=4 190 B12R2.1081 C1CC(C2=CC=CC=C2C1)O S161373 [0,0,0,1,0,1|2,0,0]=4 191 B12R2.1081 C1CC(C2=CC=CC=C2C1)O T161537 [0,0,0,1,0,1|2,0,0]=4 192 B12R2.1081 CC1C2=CC=CC=C2CCN1 M193575 [0,0,0,1,0,1|2,0,0]=4 193 B12R2.1081 CC1CNCC2=CC=CC=C12 P165923 [0,0,0,1,0,1|2,0,0]=4 194 B12R2.2057 C1CC1NCC2=CC=CC=C2 N181212 [0,0,0,1,0,1|2,0,0]=4 195 B12R2.2057 C1CC1NCC2=CN=CC=C2 C351317 [0,0,0,1,0,1|2,0,0]=4 196 B12R2.2383 C1C(O1)COCC2=CC=CO2 H111929 [0,1,0,1,0,0|1,0,0]=3 197 B8R1.36 CCCCCC1CO1 E156381 [0,0,0,0,2,0|0,0,2]=4