0 B11R1.605 C(=O)NC1=C(C=CC=C1C)Cl S625477 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.605 C=CCC1=C(C=CN=C1Cl)I ADE000600 [0,0,0,0,0,0|2,1,1]=4 2 B11R1.605 CC1=CC=CC(=C1N=C=S)Cl PH011374 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.605 CCOC1=C(C=CC=C1N)N S767417 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.605 NC1=CC=CC(=C1CCO)Cl PH014566 [0,0,0,0,0,0|2,0,0]=2 5 B11R1.605 NCCC1=C(C=CC=C1F)F T151203 [0,0,0,0,0,0|0,2,0]=2 6 B11R1.605 NNCC1=C(C=CC=C1Cl)Cl S761540 [0,0,0,0,0,0|1,0,0]=1 7 B11R1.605 O=C=NC1=C(C=CC=C1F)Cl CDS013093 [0,0,0,0,0,0|2,1,1]=4 8 B11R1.605 OCCC1=C(C=CC=C1Cl)Cl PH011763 [0,0,0,0,0,0|1,0,0]=1 9 B11R1.605 ON=CC1=C(C=CC=C1Cl)Cl S531391 [0,0,0,0,0,0|2,0,1]=3 10 B10R1.4 C(=O)NC1=C(C=CC=C1)Cl S775096 [1,0,0,0,0,0|2,0,1]=4 11 B10R1.4 CC1=C(C=CC=C1)CNN CBR02348 [1,0,0,0,0,0|2,0,0]=3 12 B10R1.4 CC1=CC=CC=C1CCN CDS007535 [1,0,0,0,0,0|1,0,0]=2 13 B10R1.4 CC1=CC=CN=C1CCN CDS009037 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.4 CC1=NC=CC=C1CNN PH019261 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.4 CCNC1=CC=CC=C1C S571016 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.4 CCOC1=CC=CC=C1F S362085 [1,0,0,0,0,0|2,1,0]=4 17 B10R1.4 CCSC1=C(C=CC=C1)O PH000049 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.4 CNCC1=CC=CC=C1O CDS000322 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.4 CNCC1=CC=CN=C1Cl CBR00860 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.4 COCC1=CC=CC=C1Br CDS003612 [1,0,0,0,0,0|2,1,0]=4 21 B10R1.4 CSCC1=CC=CC=C1Br S663395 [1,0,0,0,0,0|2,1,0]=4 22 B10R1.4 ClC1=CC=CC=C1C#CI RNI00102 [1,0,0,0,0,0|1,0,2]=4 23 B10R1.4 NCCC1=CC=CC=C1N CDS005914 [1,0,0,0,0,0|1,0,0]=2 24 B10R1.4 NCCN1C=CC=CC1=O PH019084 [1,0,0,0,0,0|2,0,0]=3 25 B10R1.4 NCCN1C=CC=CC1=O T300829 [1,0,0,0,0,0|2,0,0]=3 26 B10R1.4 NNCC1=CC=CC=C1Cl S441996 [1,0,0,0,0,0|1,0,0]=2 27 B10R1.4 O=C1C=CC=CN1CCO T161284 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.4 O=CCC1=CC=CC=C1Br CDS018605 [1,0,0,0,0,0|1,1,1]=4 29 B10R1.245 C#CC1=C(C=CC=C1Cl)Cl CDS021281 [1,0,0,0,0,0|0,0,2]=3 30 B10R1.245 CC1=C(C(=CC=C1)Cl)CN CDS000918 [1,0,0,0,0,0|1,0,0]=2 31 B10R1.245 CC1=CC=CC(=C1CBr)C CDS022041 [1,0,0,0,0,0|3,0,0]=4 32 B10R1.245 CC1=CC=CC(=C1CBr)F CDS020960 [1,0,0,0,0,0|2,1,0]=4 33 B10R1.245 CC1=CC=CC(=C1CO)C PH002994 [1,0,0,0,0,0|3,0,0]=4 34 B10R1.245 COC1=C(C=CC=C1Br)N CDS023930 [1,0,0,0,0,0|2,1,0]=4 35 B10R1.245 COC1=C(C=CC=C1Cl)F CDS002901 [1,0,0,0,0,0|1,1,0]=3 36 B10R1.245 COC1=C(C=CN=C1C)Cl CDS024135 [1,0,0,0,0,0|3,0,0]=4 37 B10R1.245 FC1=CC=CC(=C1CS)F CDS006153 [1,0,0,0,0,0|1,2,0]=4 38 B10R1.245 NCC1=C(C=CC=C1Cl)Cl L480827 [1,0,0,0,0,0|0,0,0]=1 39 B10R1.245 OCC1=C(C=CN=C1Cl)I ADE000565 [1,0,0,0,0,0|2,1,0]=4 40 B10R1.245 OCC1=C(N=CN=C1Cl)Cl CDS021203 [1,0,0,0,0,0|3,0,0]=4 41 B12R1.1009 CC(=O)NC1=C(C=CC=C1Cl)Cl R646350 [0,1,0,0,0,0|2,0,1]=4 42 B12R1.1009 CC1=CC=CC(=C1NC(=O)N)Cl S708852 [0,1,0,0,0,0|2,0,1]=4 43 B12R1.1009 CN(N)CC1=C(C=CC=C1Cl)Cl PH007582 [0,1,0,0,0,0|1,0,0]=2 44 B12R1.1009 N=C(N)CC1=C(C=CC=C1F)Cl PH015036 [0,1,0,0,0,0|0,1,1]=3 45 B12R1.1009 NC(=S)CC1=C(C=CC=C1Cl)Cl PH014656 [0,1,0,0,0,0|0,0,1]=2 46 B12R1.1009 NC(=S)NC1=C(C=CC=C1Cl)Cl PH011794 [0,1,0,0,0,0|1,0,1]=3 47 B12R1.1009 OB(O)CC1=C(C=CC=C1Cl)Cl CDS008083 [0,1,0,0,0,0|2,0,0]=3 48 B12R1.1095 O=C=NC1=C(C=C(C=C1Cl)Cl)Cl T341614 [0,1,0,0,0,0|2,0,1]=4 49 B12R1.1631 CC1=CC=CC(=C1NCCN)C PH002687 [0,1,0,0,0,0|2,0,0]=3 50 B12R1.1631 CC1=CC=CC(=C1OCCN)C OTV000226 [0,1,0,0,0,0|2,0,0]=3 51 B12R1.1631 CC1=CC=CC(=C1OCCN)C R414344 [0,1,0,0,0,0|2,0,0]=3 52 B12R1.1631 N#C/C=C/C1=C(C=CC=C1Cl)Cl PH001537 [0,1,0,0,0,0|0,0,3]=4 53 B12R1.1631 N#CSCC1=C(C=CC=C1Cl)Cl S428930 [0,1,0,0,0,0|0,0,2]=3 54 B12R1.1631 NCCCC1=C(C=CC=C1F)F CDS022487 [0,1,0,0,0,0|0,2,0]=3 55 B12R1.1631 OCCOC1=C(C=CC=C1Cl)Cl S597325 [0,1,0,0,0,0|1,0,0]=2 56 B12R2.202 NC1=NC2=C(S1)C=CC=C2Cl S429481 [0,0,0,1,0,0|2,0,1]=4 57 B12R2.1081 BrC1=CC=CC2=C1CCCC2 CDS007742 [0,0,0,1,0,0|2,1,0]=4 58 B12R2.1081 NC1=C2CCCNC2=CC=C1 PH003531 [0,0,0,1,0,0|3,0,0]=4 59 B12R2.1081 NC1=CC=CC2=C1CCCC2 T281816 [0,0,0,1,0,0|3,0,0]=4 60 B9R1.8 BrCCC1=CC=CN=C1 CDS024209 [2,0,0,0,0,0|2,0,0]=4 61 B9R1.8 CCCC1=CC=NC=C1 S573086 [2,0,0,0,0,0|2,0,0]=4 62 B9R1.8 Cl[Hg]CC1=CC=CC=C1 S810894 [2,0,0,0,0,0|2,0,0]=4 63 B9R1.8 I[Hg]CC1=CC=CC=C1 S838705 [2,0,0,0,0,0|2,0,0]=4 64 B9R1.8 NCCC1=CC=CN=C1 CDS003709 [2,0,0,0,0,0|1,0,0]=3 65 B9R1.8 NCCC1=CC=CN=C1 CDS022961 [2,0,0,0,0,0|1,0,0]=3 66 B9R1.8 NOCC1=CC=CC=C1 CDS001502 [2,0,0,0,0,0|1,0,0]=3 67 B9R1.8 OCCC1=CC=CN=C1 CDS008359 [2,0,0,0,0,0|2,0,0]=4 68 B9R1.8 OCC[N+]1=CC=CC=C1 T161055 [2,0,0,0,0,0|2,0,0]=4 69 B9R1.8 SCCC1=CC=CC=N1 CDS004787 [2,0,0,0,0,0|2,0,0]=4 70 B9R1.8 SCCC1=CC=NC=C1 CDS000260 [2,0,0,0,0,0|2,0,0]=4 71 B9R1.8 SCCC1=CC=NC=C1 CDS004770 [2,0,0,0,0,0|2,0,0]=4 72 B9R1.15 CC1=C(C=CC=C1)NN R580260 [2,0,0,0,0,0|2,0,0]=4 73 B9R1.15 CC1=CC=CN=C1CN CDS004048 [2,0,0,0,0,0|2,0,0]=4 74 B9R1.15 CC1=CC=NC=C1CN CDS013951 [2,0,0,0,0,0|2,0,0]=4 75 B9R1.15 CCN1C=CC=CC1=O S683159 [2,0,0,0,0,0|2,0,0]=4 76 B9R1.15 CC[N+]1=C(C=CC=C1)Br S765686 [2,0,0,0,0,0|1,1,0]=4 77 B9R1.15 CC[N+]1=CC=CC=C1N S142549 [2,0,0,0,0,0|2,0,0]=4 78 B9R1.15 CNC1=C(C=CC=C1)F CDS000433 [2,0,0,0,0,0|1,1,0]=4 79 B9R1.15 CNC1=NC=CC=C1Cl T169315 [2,0,0,0,0,0|2,0,0]=4 80 B9R1.15 COC1=CC=CC=C1N CDS000192 [2,0,0,0,0,0|2,0,0]=4 81 B9R1.15 ClC1=C(C=CC=N1)CBr CDS022464 [2,0,0,0,0,0|2,0,0]=4 82 B9R1.15 N#[N+]C1=C(C=CC=C1)Cl R288675 [2,0,0,0,0,0|1,0,1]=4 83 B9R1.15 NCC1=C(C=CC=C1)O CDS008020 [2,0,0,0,0,0|1,0,0]=3 84 B9R1.15 NCC1=CC=CC=C1Br T151114 [2,0,0,0,0,0|0,1,0]=3 85 B9R1.15 OCC1=C(C=NC=C1)Cl MNO000070 [2,0,0,0,0,0|2,0,0]=4 86 B9R1.3 CC1=C(C(=CC=C1)Cl)S R262153 [2,0,0,0,0,0|2,0,0]=4 87 B9R1.3 CC1=C(C=CC=C1Br)F CDS003017 [2,0,0,0,0,0|0,2,0]=4 88 B9R1.3 CC1=C(C=CC=C1O)Cl CDS003050 [2,0,0,0,0,0|1,0,0]=3 89 B9R1.3 CC1=CC=CC(=C1Br)Cl CDS003391 [2,0,0,0,0,0|2,0,0]=4 90 B9R1.3 NC1=C(C=CC=C1Cl)I KOB0053 [2,0,0,0,0,0|0,1,0]=3 91 B9R1.3 NC1=C(C=CC=C1I)O CDS007998 [2,0,0,0,0,0|1,1,0]=4 92 B9R1.3 NC1=C(C=CC=C1O)O CDS003448 [2,0,0,0,0,0|2,0,0]=4 93 B9R1.3 NC1=C(C=CC=C1O)O PH009922 [2,0,0,0,0,0|2,0,0]=4 94 B9R1.3 NC1=CC=CC(=C1Br)Cl CDS023345 [2,0,0,0,0,0|2,0,0]=4 95 B9R1.3 NC1=CC=CC(=C1N)Br CDS020072 [2,0,0,0,0,0|1,1,0]=4 96 B9R1.3 NC1=CC=CC(=C1N)F CDS011409 [2,0,0,0,0,0|1,1,0]=4 97 B9R1.3 NC1=CC=CC(=C1N)N S915041 [2,0,0,0,0,0|2,0,0]=4 98 B9R1.3 NC1=CC=CC(=C1O)Cl TMT00393 [2,0,0,0,0,0|2,0,0]=4 99 B9R1.3 OC1=C(C(=CC=C1)Cl)F CDS003101 [2,0,0,0,0,0|2,0,0]=4 100 B9R1.3 SC1=CC=CC(=C1Cl)Cl R239429 [2,0,0,0,0,0|2,0,0]=4 101 B11R1.13 CC1=CC=CN(C1=O)CCN PH017777 [1,1,0,0,0,0|2,0,0]=4 102 B11R1.13 CCCC1=C(C(=CC=C1)C)O S405507 [1,1,0,0,0,0|2,0,0]=4 103 B11R1.13 NCCC1=CC=CC(=C1Cl)Cl L300195 [1,1,0,0,0,0|0,0,0]=2 104 B11R1.13 OCCC1=CC=CC(=C1F)Cl CDS022327 [1,1,0,0,0,0|1,1,0]=4 105 B11R1.17 C=CCOC1=CC=CC=C1Cl S544744 [1,1,0,0,0,0|1,0,1]=4 106 B11R1.17 CC1=C(C=CC=C1)NCCN PH010276 [1,1,0,0,0,0|1,0,0]=3 107 B11R1.17 CC1=C(C=CC=C1)OCCN R414298 [1,1,0,0,0,0|1,0,0]=3 108 B11R1.17 CC1=C(N=CC=C1)NCCN CBR01323 [1,1,0,0,0,0|2,0,0]=4 109 B11R1.17 CC1=CC=CC=C1OCCN OTV000147 [1,1,0,0,0,0|1,0,0]=3 110 B11R1.17 CCCCC1=C(C=CC=C1)N CDS000462 [1,1,0,0,0,0|2,0,0]=4 111 B11R1.17 CCCOC1=CC=CC=C1N CDS014846 [1,1,0,0,0,0|2,0,0]=4 112 B11R1.17 CCCSC1=CC=CC=C1N PH000487 [1,1,0,0,0,0|2,0,0]=4 113 B11R1.17 COCCC1=CC=CC=C1Br S809608 [1,1,0,0,0,0|1,1,0]=4 114 B11R1.17 NCCCC1=C(C=CC=C1)F CBR02360 [1,1,0,0,0,0|0,1,0]=3 115 B11R1.17 NCCCN1C=CC=CC1=O CBR01559 [1,1,0,0,0,0|2,0,0]=4 116 B11R1.17 NCCOC1=C(C=CC=C1)Cl R414425 [1,1,0,0,0,0|0,0,0]=2 117 B11R1.17 NCCOC1=CC=CC=C1F CBR00831 [1,1,0,0,0,0|0,1,0]=3 118 B11R1.41 BrCCC1=CC=CC=C1CBr S809802 [1,1,0,0,0,0|1,1,0]=4 119 B11R1.41 CCC1=CC=CC=C1CCN PH016764 [1,1,0,0,0,0|1,0,0]=3 120 B11R1.41 CCC1=CC=CC=C1CCO T175994 [1,1,0,0,0,0|2,0,0]=4 121 B11R1.41 O=CC1=C(C=CC=C1)CCBr PH009837 [1,1,0,0,0,0|2,0,0]=4 122 B11R1.81 CCOC1=C(C=C(C=C1)N)Cl CBR01472 [1,1,0,0,0,0|2,0,0]=4 123 B11R1.81 NCCC1=CC=C(C=C1F)Cl CDS022235 [1,1,0,0,0,0|0,1,0]=3 124 B11R1.81 NCCC1=CC=C(C=C1F)F L300241 [1,1,0,0,0,0|0,1,0]=3 125 B11R1.86 CN(N)CC1=CC=CC=C1Cl PH001191 [1,1,0,0,0,0|1,0,0]=3 126 B11R1.86 N=C(N)CC1=C(C=CC=C1)Cl PH015478 [1,1,0,0,0,0|0,0,1]=3 127 B11R1.86 NC(=O)CC1=CC=CC=C1Br CDS005049 [1,1,0,0,0,0|0,1,1]=4 128 B11R1.86 NC(=O)CC1=CC=CC=C1Cl CDS011434 [1,1,0,0,0,0|0,0,1]=3 129 B11R1.86 NC(=O)CC1=CC=CC=C1N CDS012270 [1,1,0,0,0,0|1,0,1]=4 130 B11R1.86 NC(=O)CC1=CC=CC=C1O S668982 [1,1,0,0,0,0|1,0,1]=4 131 B11R1.86 NC(=O)NC1=CC=CC=C1Cl PH009853 [1,1,0,0,0,0|1,0,1]=4 132 B11R1.86 NC(=O)OC1=CC=CC=C1Cl PH009081 [1,1,0,0,0,0|1,0,1]=4 133 B11R1.182 CC1=CC=C(C(=C1)CCN)O PH019198 [1,1,0,0,0,0|1,0,0]=3 134 B11R1.182 CC1=CC=C(C(=C1)CCO)C S347248 [1,1,0,0,0,0|2,0,0]=4 135 B11R1.182 CNCC1=CC(=CC=C1Cl)Cl PH016788 [1,1,0,0,0,0|2,0,0]=4 136 B11R1.182 N#CCC1=CC(=CC=C1Cl)Cl R594105 [1,1,0,0,0,0|0,0,2]=4 137 B11R1.182 NCCC1=CC(=CC=C1F)F L300276 [1,1,0,0,0,0|0,1,0]=3 138 B11R1.182 NCCC1=CC(=CC=C1N)Cl PH018969 [1,1,0,0,0,0|1,0,0]=3 139 B11R1.182 NCCC1=CC(=CC=C1O)Cl PH019172 [1,1,0,0,0,0|1,0,0]=3 140 B11R1.222 CC[C@H](O)C1=CC=CC=C1F PH018898 [1,1,0,0,0,0|1,1,0]=4 141 B11R1.222 NCC(O)C1=CC=CC=C1Br CDS009497 [1,1,0,0,0,0|0,1,0]=3 142 B11R1.72 CC1=CC=C(C(=C1Cl)CBr)F CDS021694 [1,1,0,0,0,0|1,1,0]=4 143 B11R1.72 CC1=CC=C(C(=C1F)CN)F CDS001922 [1,1,0,0,0,0|0,2,0]=4 144 B11R1.72 CCC1=C(C(=CC=C1F)O)Cl PH017290 [1,1,0,0,0,0|0,1,0]=3 145 B11R1.72 CCC1=C(C(=CC=C1O)F)Cl PH017315 [1,1,0,0,0,0|1,0,0]=3 146 B11R1.72 NCC1=C(C(=CC=C1F)F)F CDS002581 [1,1,0,0,0,0|0,2,0]=4 147 B11R1.72 NCC1=C(C=CC(=C1F)Cl)F CDS010757 [1,1,0,0,0,0|0,2,0]=4 148 B11R1.72 OCC1=C(C(=CC=C1Cl)Br)F CDS024342 [1,1,0,0,0,0|1,1,0]=4 149 B11R1.156 OB(O)C1=C(C=CC=C1Cl)Cl CDS003181 [1,1,0,0,0,0|2,0,0]=4 150 B11R1.265 COC1=C(C=CC=C1C=O)Cl CDS021098 [1,1,0,0,0,0|2,0,0]=4 151 B11R1.464 CC1=CC(=C(C(=C1)C)CN)C CDS021956 [1,1,0,0,0,0|2,0,0]=4 152 B11R1.464 COC1=C(C=C(C=C1Cl)N)Cl PH010475 [1,1,0,0,0,0|1,0,0]=3 153 B11R1.464 COC1=C(C=C(C=C1Cl)N)F CDS021066 [1,1,0,0,0,0|1,1,0]=4 154 B11R1.464 NCC1=C(C=C(C=C1F)Cl)F CDS000828 [1,1,0,0,0,0|0,2,0]=4 155 B11R1.464 NCC1=C(C=C(C=C1F)F)F CDS001002 [1,1,0,0,0,0|0,2,0]=4 156 B11R1.464 NNC1=C(C=C(C=C1Cl)Cl)Cl S418943 [1,1,0,0,0,0|1,0,0]=3 157 B13R1.885 O=C(O)CC1=C(C(=CC=C1Cl)Cl)Cl R435341 [0,2,0,0,0,0|1,0,1]=4 158 B13R1.4928 CNC(=O)NC1=C(C=CC=C1Cl)Cl S665665 [0,2,0,0,0,0|1,0,1]=4 159 B13R1.4928 N/C(=N\O)/CC1=C(C=CC=C1Cl)Cl PH016704 [0,2,0,0,0,0|0,0,1]=3 160 B13R1.4928 NNC(=S)NC1=C(C=CC=C1Cl)Cl R257818 [0,2,0,0,0,0|1,0,1]=4 161 B13R1.4928 O=C(CCl)NC1=C(C=CC=C1Cl)Cl S188913 [0,2,0,0,0,0|1,0,1]=4 162 B13R1.1601 C#CCOC1=C(C=C(C=C1Cl)Cl)Cl CDS024026 [0,2,0,0,0,0|1,0,1]=4 163 B13R1.3787 O=C(O)CSC1=C(C=CC=C1Cl)Cl PH010790 [0,2,0,0,0,0|1,0,1]=4 164 B13R1.8919 ClC1=CC=CC(=C1OCCCBr)Cl PH011049 [0,2,0,0,0,0|1,0,0]=3 165 B11R2.10 CC1CC2=C(O1)C=CC=C2 S455830 [1,0,0,1,0,0|2,0,0]=4 166 B11R2.10 SC1CC2=CC=CC=C2C1 CDS023745 [1,0,0,1,0,0|2,0,0]=4 167 B11R2.20 C1=CC2=C(C=C1)CNCC2 R750530 [1,0,0,1,0,0|1,0,0]=3 168 B11R2.55 NC1=C(C=CC=C1)C2CC2 CDS021534 [1,0,0,1,0,0|2,0,0]=4 169 B11R2.106 ClC1=CC=CC2=C1C=NN2 BML00245 [1,0,0,1,0,0|1,0,1]=4 170 B13R2.371 OC1=CC=C(C2=C1NCCC2)Cl T312959 [0,1,0,1,0,0|2,0,0]=4 171 B13R2.54 NCC1=NC2=C(O1)C(=CC=C2)Cl PH018998 [0,1,0,1,0,0|1,0,1]=4 172 B9R1.33 CC1=C(SC=C1)CCN CBR01050 [1,0,0,0,1,0|2,0,0]=4 173 B9R1.33 CN1C=CC=C1CCN CBR01483 [1,0,0,0,1,0|2,0,0]=4