0 B10R1.4 C=CCC1=C(O)C=CC=C1 BBL027374 [0,0,0,0,0,0|1,0,1]=2 1 B10R1.4 CNCC1=CC=CN=C1Cl BBL036539 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.4 FC1=CC=CC=C1N=C=S BBL027477 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.4 O=C=NC1=CC=CC=C1Br BBL037642 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.4 O\N=C\C1=C(O)C=CC=C1 BBL013317 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.4 S=C=NC1=CC=CC=C1Cl BBL027478 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.8 BrCCC1=CC=CC=C1 BBL027290 [1,0,0,0,0,0|1,0,0]=2 7 B9R1.8 CNCC1=NC=CC=C1 BBL029574 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.8 COCC1=CC=CC=C1 BBL011461 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.8 ClCCC1=CC=CC=C1 BBL027318 [1,0,0,0,0,0|1,0,0]=2 10 B9R1.8 NNCC1=CC=CC=C1 BBL029077 [1,0,0,0,0,0|1,0,0]=2 11 B9R1.8 NOCC1=CC=CC=C1 BBL040921 [1,0,0,0,0,0|1,0,0]=2 12 B9R1.8 O=C=NC1=CC=CC=C1 BBL013184 [1,0,0,0,0,0|2,0,1]=4 13 B9R1.8 OCCC1=CC=CC=C1 BBL036905 [1,0,0,0,0,0|1,0,0]=2 14 B9R1.8 OCCC1=NC=CC=C1 BBL027580 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.8 S=C=NC1=CC=CC=C1 BBL027476 [1,0,0,0,0,0|2,0,1]=4 16 B9R1.15 CC1=C(CBr)N=CC=C1 BBL038258 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.15 CC1=C(NN)C=CC=C1 BBL007626 [1,0,0,0,0,0|2,0,0]=3 18 B9R1.15 CNC1=C(N)C=CC=N1 BBL031075 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.15 COC1=NC=CC=C1N BBL029047 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.15 ClCC1=C(Cl)C=CC=C1 BBL012560 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.15 NC1=CC=CC=C1CO BBL027657 [1,0,0,0,0,0|2,0,0]=3 22 B9R1.15 NNC1=C(F)C=CC=C1 BBL027973 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.15 NNC1=CC=CC=C1Br BBL012157 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.15 NNC1=CC=CC=C1I BBL022200 [1,0,0,0,0,0|2,0,0]=3 25 B11R1.17 C=CCOC1=CC=CC=C1N BBL023219 [0,1,0,0,0,0|2,0,1]=4 26 B11R1.17 CC1=CC=CC=C1OCCBr BBL028170 [0,1,0,0,0,0|2,0,0]=3 27 B11R1.17 CCCOC1=C(N)C=CC=C1 BBL035841 [0,1,0,0,0,0|2,0,0]=3 28 B11R1.17 CCCSC1=CC=CC=C1N BBL034973 [0,1,0,0,0,0|2,0,0]=3 29 B11R1.17 ClC1=CC=CC=C1OCCBr BBL029543 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.17 NC1=CC=CC=C1OCCO BBL013148 [0,1,0,0,0,0|2,0,0]=3 31 B11R1.17 NCCOC1=CC=CC=C1Cl BBL002953 [0,1,0,0,0,0|1,0,0]=2 32 B11R1.17 NCCOC1=CC=CC=C1F BBL002954 [0,1,0,0,0,0|1,0,0]=2 33 B11R1.41 CCOC1=CC=CC=C1NN BBL014418 [0,1,0,0,0,0|3,0,0]=4 34 B11R1.41 COC1=C(N=C=S)C=CC=C1 BBL027787 [0,1,0,0,0,0|2,0,1]=4 35 B11R1.41 COC1=CC=CC=C1CCN BBL027693 [0,1,0,0,0,0|0,0,0]=1 36 B11R1.41 COC1=CC=CC=C1N=C=O BBL027367 [0,1,0,0,0,0|2,0,1]=4 37 B11R1.41 N#CCC1=C(C#N)C=CC=C1 BBL011044 [0,1,0,0,0,0|1,0,2]=4 38 B11R1.81 CCOC1=C(Cl)C=C(N)C=C1 BBL034970 [0,1,0,0,0,0|3,0,0]=4 39 B11R1.81 CCOC1=C(N)C=C(Cl)C=C1 BBL034405 [0,1,0,0,0,0|3,0,0]=4 40 B11R1.86 CC(C)SC1=CC=CC=C1N BBL034974 [0,1,0,0,0,0|3,0,0]=4 41 B11R1.86 CC1=CC=CC=C1NC(N)=S BBL027968 [0,1,0,0,0,0|2,0,1]=4 42 B11R1.86 NC(=O)CC1=CC=CC=C1O BBL003575 [0,1,0,0,0,0|0,0,1]=2 43 B11R1.86 NC(=S)NC1=CC=CC=C1O BBL008029 [0,1,0,0,0,0|1,0,1]=3 44 B11R1.182 CCNC1=C(C)C=CC(O)=C1 BBL100468 [0,1,0,0,0,0|3,0,0]=4 45 B11R1.182 CNCC1=C(O)C=CC(Br)=C1 BBL036631 [0,1,0,0,0,0|2,0,0]=3 46 B11R1.222 CC1=C(C(=O)NN)C=CC=C1 BBL008111 [0,1,0,0,0,0|2,0,1]=4 47 B11R1.222 CCC(=O)C1=CC=CC=C1O BBL011846 [0,1,0,0,0,0|1,0,1]=3 48 B11R1.222 CNC(=O)C1=CC=CC=C1O BBL010949 [0,1,0,0,0,0|2,0,1]=4 49 B11R1.222 COC(=O)C1=CC=CC=C1O BBL010504 [0,1,0,0,0,0|2,0,1]=4 50 B11R1.222 C\C(=N\O)C1=C(O)C=CC=C1 BBL023001 [0,1,0,0,0,0|2,0,1]=4 51 B11R1.222 NNC(=O)C1=C(Br)C=CC=C1 BBL008389 [0,1,0,0,0,0|2,0,1]=4 52 B11R1.222 NNC(=O)C1=C(N)C=CC=C1 BBL008412 [0,1,0,0,0,0|2,0,1]=4 53 B11R1.222 NNC(=O)C1=C(O)C=CC=C1 BBL008416 [0,1,0,0,0,0|1,0,1]=3 54 B11R1.222 NNC(=O)C1=CC=CC=C1Cl BBL008395 [0,1,0,0,0,0|2,0,1]=4 55 B11R1.222 NNC(=O)C1=CC=CC=C1I BBL014372 [0,1,0,0,0,0|2,0,1]=4 56 B11R1.605 N#CCC1=C(Cl)C=CC=C1Cl BBL011912 [0,1,0,0,0,0|1,0,2]=4 57 B11R2.10 NC1=NC2=CC=CC=C2N1 BBL033933 [0,0,0,1,0,0|2,0,1]=4 58 B11R2.10 O=C1NC2=C(C=CC=C2)O1 BBL027537 [0,0,0,1,0,0|2,0,1]=4 59 B11R2.106 CC1=CC=CC2=C1C=CN2 BBL027536 [0,0,0,1,0,0|1,0,2]=4 60 B11R2.106 ClC1=CC=CC2=C1C=CN2 BBL027535 [0,0,0,1,0,0|1,0,2]=4 61 B11R2.106 NC1=C2C=CNC2=CC=C1 BBL100183 [0,0,0,1,0,0|1,0,2]=4 62 B11R2.106 OC1=C2C=CNC2=CC=C1 BBL011019 [0,0,0,1,0,0|0,0,2]=3 63 B11R2.106 OC1=CC=CC2=NSN=C12 BBL029357 [0,0,0,1,0,0|2,0,1]=4 64 B9R1.33 CC1=CC=NN1CCN BBL030322 [0,0,0,0,1,0|3,0,0]=4 65 B9R1.33 CC1=NC=CN1CCN BBL022416 [0,0,0,0,1,0|3,0,0]=4 66 B8R1.2 COC1=NC=CC=C1 BBL011495 [2,0,0,0,0,0|2,0,0]=4 67 B8R1.2 ClCC1=CC=CC=N1 BBL009975 [2,0,0,0,0,0|2,0,0]=4 68 B8R1.2 NCC1=CC=CN=C1 BBL036897 [2,0,0,0,0,0|1,0,0]=3 69 B8R1.2 NNC1=CC=CC=C1 BBL011601 [2,0,0,0,0,0|1,0,0]=3 70 B8R1.2 NNC1=NC=CC=C1 BBL027570 [2,0,0,0,0,0|2,0,0]=4 71 B8R1.2 OCC1=CC=CC=C1 BBL011938 [2,0,0,0,0,0|1,0,0]=3 72 B8R1.2 [NH3+]CC1=CC=CC=C1 BBL002893 [2,0,0,0,0,0|0,0,1]=3 73 B8R1.5 CC1=C(Br)C=NC=C1 BBL028165 [2,0,0,0,0,0|2,0,0]=4 74 B8R1.5 CC1=CC=NC=C1C BBL027583 [2,0,0,0,0,0|2,0,0]=4 75 B8R1.5 C[N+]1=CC=CC=C1Cl BBL011337 [2,0,0,0,0,0|2,0,0]=4 76 B8R1.5 NC1=C(I)C=CC=C1 BBL011389 [2,0,0,0,0,0|1,0,0]=3 77 B8R1.5 NC1=C(N)C=NC=C1 BBL013269 [2,0,0,0,0,0|2,0,0]=4 78 B8R1.5 NC1=C(O)C=CC=N1 BBL009590 [2,0,0,0,0,0|1,0,0]=3 79 B8R1.5 NC1=C(O)C=CN=C1 BBL011065 [2,0,0,0,0,0|1,0,0]=3 80 B8R1.5 NC1=CC=CN=C1N BBL011063 [2,0,0,0,0,0|2,0,0]=4 81 B8R1.5 OC1=C(O)N=CC=C1 BBL027572 [2,0,0,0,0,0|2,0,0]=4 82 B8R1.5 OC1=CC=CN=C1Br BBL013305 [2,0,0,0,0,0|2,0,0]=4 83 B10R1.1 CC1=CC=C(CON)C=C1 BBL039158 [1,1,0,0,0,0|1,0,0]=3 84 B10R1.1 COCC1=CC=C(N)C=C1 BBL030690 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.1 NC1=CC=C(CCO)C=C1 BBL036337 [1,1,0,0,0,0|1,0,0]=3 86 B10R1.1 NCCC1=CC=C(F)C=C1 BBL013000 [1,1,0,0,0,0|0,0,0]=2 87 B10R1.1 NCCC1=CC=C(O)C=C1 BBL027695 [1,1,0,0,0,0|0,0,0]=2 88 B10R1.10 CNCC1=CC(N)=CC=C1 BBL011550 [1,1,0,0,0,0|2,0,0]=4 89 B10R1.10 NCCC1=CC=CC(F)=C1 BBL012999 [1,1,0,0,0,0|0,0,0]=2 90 B10R1.15 CCC(=O)C1=CC=CC=C1 BBL027754 [1,1,0,0,0,0|1,0,1]=4 91 B10R1.15 NCC(=O)C1=CC=CC=C1 BBL028098 [1,1,0,0,0,0|0,0,1]=3 92 B10R1.15 NNC(=O)C1=CC=CC=C1 BBL019079 [1,1,0,0,0,0|1,0,1]=4 93 B10R1.17 BrCCCC1=CC=CC=C1 BBL027292 [1,1,0,0,0,0|1,0,0]=3 94 B10R1.17 CCCNC1=CC=CC=C1 BBL012082 [1,1,0,0,0,0|1,0,0]=3 95 B10R1.17 CNCCC1=NC=CC=C1 BBL004908 [1,1,0,0,0,0|1,0,0]=3 96 B10R1.17 ClC\C=C\C1=CC=CC=C1 BBL011410 [1,1,0,0,0,0|1,0,1]=4 97 B10R1.17 NCCNC1=NC=CC=N1 BBL010886 [1,1,0,0,0,0|2,0,0]=4 98 B10R1.17 NCCOC1=CC=CC=C1 BBL028054 [1,1,0,0,0,0|0,0,0]=2 99 B10R1.17 OCCNC1=CC=CC=C1 BBL011612 [1,1,0,0,0,0|1,0,0]=3 100 B10R1.17 OCCOC1=CC=CC=C1 BBL027410 [1,1,0,0,0,0|1,0,0]=3 101 B10R1.17 OC\C=C\C1=CC=CC=C1 BBL027413 [1,1,0,0,0,0|1,0,1]=4 102 B10R1.17 S=C=NCC1=CC=CC=C1 BBL013129 [1,1,0,0,0,0|1,0,1]=4 103 B10R1.18 N=C(N)CC1=CC=CC=C1 BBL029167 [1,1,0,0,0,0|0,0,1]=3 104 B10R1.18 NC(=S)NC1=CC=CC=C1 BBL013021 [1,1,0,0,0,0|1,0,1]=4 105 B10R1.18 O=C(Cl)CC1=CC=CC=C1 BBL011387 [1,1,0,0,0,0|1,0,1]=4 106 B10R1.2 CCC1=C(O)C(=O)C=CO1 BBL036457 [1,1,0,0,0,0|1,0,0]=3 107 B10R1.2 NNC1=CC=CC(Cl)=C1Cl BBL022193 [1,1,0,0,0,0|2,0,0]=4 108 B10R1.2 O=CC1=C(O)C(O)=CC=C1 BBL000528 [1,1,0,0,0,0|1,0,1]=4 109 B10R1.20 COC1=CC=CC=C1CN BBL027680 [1,1,0,0,0,0|0,0,0]=2 110 B10R1.20 COC1=CC=CC=C1NN BBL022185 [1,1,0,0,0,0|1,0,0]=3 111 B10R1.20 CSC1=CC=CC=C1NN BBL020781 [1,1,0,0,0,0|1,1,0]=4 112 B10R1.20 [NH3+]NC1=C(OC)C=CC=C1 BBL002895 [1,1,0,0,0,0|1,0,1]=4 113 B10R1.25 CC1=CC(C)=C(NN)C=C1 BBL020466 [1,1,0,0,0,0|2,0,0]=4 114 B10R1.25 COC1=CC=C(N)C=C1F BBL100259 [1,1,0,0,0,0|2,0,0]=4 115 B10R1.25 ClCC1=C(Cl)C=C(Cl)C=C1 BBL009650 [1,1,0,0,0,0|2,0,0]=4 116 B10R1.25 NCC1=CC=C(F)C=C1Cl BBL037739 [1,1,0,0,0,0|1,0,0]=3 117 B10R1.25 NNC1=CC=C(Br)C=C1F BBL012160 [1,1,0,0,0,0|2,0,0]=4 118 B10R1.25 NNC1=CC=C(Cl)C=C1F BBL011332 [1,1,0,0,0,0|2,0,0]=4 119 B10R1.25 NNC1=CC=C(F)C=C1F BBL012158 [1,1,0,0,0,0|2,0,0]=4 120 B10R1.25 O=CC1=CC=C(O)C=C1O BBL012171 [1,1,0,0,0,0|1,0,1]=4 121 B10R1.30 CC1=CC=C(Cl)C=C1NN BBL022189 [1,1,0,0,0,0|2,0,0]=4 122 B10R1.30 CCC1=C(N)C=CC(I)=C1 BBL018999 [1,1,0,0,0,0|1,0,0]=3 123 B10R1.30 NNC1=CC(F)=CC=C1Cl BBL011333 [1,1,0,0,0,0|2,0,0]=4 124 B10R1.61 CC(=O)C1=C(O)C=CC=C1 BBL012126 [1,1,0,0,0,0|0,0,1]=3 125 B10R1.61 CC(N)C1=C(Cl)C=CC=C1 BBL017883 [1,1,0,0,0,0|1,0,0]=3 126 B10R1.61 NC(=O)C1=C(O)C=CC=C1 BBL016007 [1,1,0,0,0,0|0,0,1]=3 127 B10R1.61 NC(=O)C1=C(O)C=CC=N1 BBL009297 [1,1,0,0,0,0|1,0,1]=4 128 B10R1.61 NC(=O)C1=CC=CC=C1N BBL012278 [1,1,0,0,0,0|1,0,1]=4 129 B10R1.61 NC(=S)C1=CC=CC=C1N BBL018382 [1,1,0,0,0,0|1,0,1]=4 130 B10R1.61 NC(C)C1=C(C)C=CC=C1 BBL036386 [1,1,0,0,0,0|1,0,0]=3 131 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 BBL000698 [1,1,0,0,0,0|1,0,1]=4 132 B10R1.245 CC1=CC=CC(C)=C1NN BBL022194 [1,1,0,0,0,0|2,0,0]=4 133 B12R1.24 CC1=C(O)C(C(=O)NN)=CC=C1 BBL016688 [0,2,0,0,0,0|1,0,1]=4 134 B12R1.280 CCOC1=CC=CC(C=O)=C1O BBL023426 [0,2,0,0,0,0|2,0,0]=4 135 B12R1.280 CNCC1=CC=CC(OC)=C1O BBL036647 [0,2,0,0,0,0|2,0,0]=4 136 B12R1.69 CC1=C(OCCN)C=CC(Cl)=C1 BBL003405 [0,2,0,0,0,0|1,0,0]=3 137 B12R1.69 CC1=CC(C)=C(OCCN)C=C1 BBL007654 [0,2,0,0,0,0|1,0,0]=3 138 B12R1.69 NCCOC1=CC=C(Cl)C=C1Cl BBL030397 [0,2,0,0,0,0|1,0,0]=3 139 B12R1.121 CCCOC1=CC=CC=C1C=O BBL022916 [0,2,0,0,0,0|1,0,1]=4 140 B12R1.121 COC1=CC=CC=C1OCCBr BBL027843 [0,2,0,0,0,0|1,0,0]=3 141 B12R1.121 COC1=CC=CC=C1OCCN BBL001425 [0,2,0,0,0,0|0,0,0]=2 142 B12R1.121 N#CC1=CC=CN=C1OCCN BBL036732 [0,2,0,0,0,0|2,0,0]=4 143 B12R1.125 NC(=S)NCC1=C(Cl)C=CC=C1 BBL031879 [0,2,0,0,0,0|1,0,1]=4 144 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 BBL012110 [0,2,0,0,0,0|2,0,0]=4 145 B12R1.125 O=C(O)CCC1=C(F)C=CC=C1 BBL025641 [0,2,0,0,0,0|2,0,0]=4 146 B12R1.267 CC1=CC=CC=C1CNCCO BBL000292 [0,2,0,0,0,0|2,0,0]=4 147 B12R1.267 CCCNCC1=CC=CC=C1C BBL000293 [0,2,0,0,0,0|2,0,0]=4 148 B12R1.267 CNCCOC1=C(C)C=CC=C1 BBL023141 [0,2,0,0,0,0|1,0,0]=3 149 B12R1.371 NCC(=O)NC1=CC=CC=C1Cl BBL011217 [0,2,0,0,0,0|1,0,1]=4 150 B12R1.371 NNC(=O)CC1=CC=CC=C1Cl BBL017353 [0,2,0,0,0,0|1,0,1]=4 151 B12R1.374 CC1=CC(OCCN)=C(Cl)C=C1 BBL008288 [0,2,0,0,0,0|1,0,0]=3 152 B12R1.374 CCCOC1=CC(C)=CC=C1N BBL019268 [0,2,0,0,0,0|2,0,0]=4 153 B12R1.75 COC1=CC=CC=C1CC(C)=O BBL027726 [0,2,0,0,0,0|1,0,1]=4 154 B12R1.283 CCSC1=C(C(=O)O)C=CC=C1 BBL000357 [0,2,0,0,0,0|2,0,0]=4 155 B12R1.1703 NNC(=O)C1=CC=C(Cl)C=C1O BBL017863 [0,2,0,0,0,0|1,0,1]=4 156 B12R1.1703 NNC(=O)C1=CC=C(O)C=C1O BBL015199 [0,2,0,0,0,0|1,0,1]=4 157 B12R1.1703 O=C(CCl)C1=CC=C(O)C=C1O BBL011800 [0,2,0,0,0,0|1,0,1]=4 158 B12R1.127 NC(=S)NC1=CC(Cl)=CC=C1O BBL023773 [0,2,0,0,0,0|1,0,1]=4 159 B12R1.270 CCOC1=C(O)C=CC(C=O)=C1 BBL023011 [0,2,0,0,0,0|2,0,0]=4 160 B12R1.354 CCC(N)C1=C(Cl)C=CC(Cl)=C1 BBL008269 [0,2,0,0,0,0|2,0,0]=4 161 B12R1.354 NNC(=O)C1=C(O)C=CC(Br)=C1 BBL013909 [0,2,0,0,0,0|1,0,1]=4 162 B12R1.354 NNC(=O)C1=C(O)C=CC(Cl)=C1 BBL015495 [0,2,0,0,0,0|1,0,1]=4 163 B12R1.354 NNC(=O)C1=CC(O)=CC=C1O BBL016326 [0,2,0,0,0,0|1,0,1]=4 164 B10R2.7 C1=CC2=C(C=C1)NC=C2 BBL011739 [1,0,0,1,0,0|0,0,2]=4 165 B12R2.1081 O=C1CCCC2=CC=CC=C12 BBL027352 [0,1,0,1,0,0|1,0,1]=4 166 B12R2.1081 OC1=C2CCCCC2=CC=C1 BBL025814 [0,1,0,1,0,0|1,0,0]=3 167 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 BBL027621 [0,1,0,1,0,0|1,0,0]=3 168 B12R2.32 NCC1=NC2=CC=CC=C2N1 BBL007911 [0,1,0,1,0,0|1,0,1]=4 169 B12R2.32 OCC1CC2=CC=CC=C2O1 BBL029876 [0,1,0,1,0,0|1,0,0]=3 170 B12R2.315 COC1=CC=CC2=C1C=CN2 BBL010878 [0,1,0,1,0,0|0,0,2]=4 171 B12R2.203 CC1=CNC2=C1C(O)=CC=C2 BBL030378 [0,1,0,1,0,0|0,0,2]=4 172 B8R1.8 NCCC1=CC=CS1 BBL001466 [1,0,0,0,1,0|1,0,0]=3 173 B8R1.8 NCCC1=CNC=N1 BBL004932 [1,0,0,0,1,0|2,0,0]=4 174 B8R1.11 CN1C=CC=C1CN BBL029743 [1,0,0,0,1,0|2,0,0]=4