0 B11R1.17 C(CC)OC1=C(C=CC=C1)O ACS011557 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.4 BrC1=C(C=CC=C1)COC ACS014788 [1,0,0,0,0,0|1,0,0]=2 2 B10R1.4 BrC1=C(C=CC=C1)N=C=O ACS014091 [1,0,0,0,0,0|2,0,1]=4 3 B10R1.4 BrC1=C(C=CC=C1)OCC ACS010456 [1,0,0,0,0,0|1,0,0]=2 4 B10R1.4 BrC1=C(CCO)C=CC=C1 ACS016868 [1,0,0,0,0,0|1,0,0]=2 5 B10R1.4 BrC=1C=NC=CC1OCC ACS020291 [1,0,0,0,0,0|2,0,0]=3 6 B10R1.4 BrCCC1=C(C=CC=C1)Cl ACS016881 [1,0,0,0,0,0|1,1,0]=3 7 B10R1.4 C(C)OC1=C(C=CC=C1)O ACS014432 [1,0,0,0,0,0|2,0,0]=3 8 B10R1.4 C(C)OC=1C(=NC=CC1)C ACS020372 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.4 C(C)OC=1C=NC=CC1N ACS019161 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.4 CC1=C(CC#N)C=CC=C1 ACS013802 [1,0,0,0,0,0|1,0,2]=4 11 B10R1.4 FC1=C(C=CC=C1)CCO ACF013749 [1,0,0,0,0,0|1,1,0]=3 12 B10R1.4 FC1=C(C=CC=C1)CNN ACF021007 [1,0,0,0,0,0|1,1,0]=3 13 B10R1.4 FC1=C(CNC)C=CC=C1 ACF013851 [1,0,0,0,0,0|0,1,0]=2 14 B10R1.4 FC1=C(CNN)C=CC=C1 ACF014059 [1,0,0,0,0,0|1,1,0]=3 15 B10R1.4 FC=1C(=NC=CC1)CCO ACF021762 [1,0,0,0,0,0|2,1,0]=4 16 B10R1.4 FC=1C(=NC=CC1)CNC ACF022944 [1,0,0,0,0,0|1,1,0]=3 17 B10R1.4 NC1=C(C=CC=C1)CC#N ACS016953 [1,0,0,0,0,0|1,0,2]=4 18 B10R1.17 BrCCOC1=CC=CC=C1 ACS010459 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.17 ClCCOC1=CC=CC=C1 ACS014772 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.17 O(C1=CC=CC=C1)CCO ACS015601 [1,0,0,0,0,0|3,0,0]=4 21 B12R1.25 BrC1=C(C(=CC=C1)OCOC)O ACS019633 [0,1,0,0,0,0|3,0,0]=4 22 B12R1.69 C(CCC)C1=C(C=C(C=C1)O)O ACS020042 [0,1,0,0,0,0|2,0,0]=3 23 B12R1.125 BrC1=C(C=CC=C1)CCC(=O)O ACS017007 [0,1,0,0,0,0|2,0,0]=3 24 B12R1.308 BrC1=C(C(=O)OCC)C=CC=C1 ACS010559 [0,1,0,0,0,0|2,0,1]=4 25 B12R2.24 C1N(CCC2=CC=CC=C12)N ACS019121 [0,0,0,1,0,0|2,0,0]=3 26 B12R2.24 c1ccc2c(c1)CCC(=O)O2 ACS015483 [0,0,0,1,0,0|3,0,0]=4 27 B12R2.41 C1CNCCC2=C1C=CC=C2 ACS017182 [0,0,0,1,0,0|1,0,0]=2 28 B12R2.41 c1ccc2c(c1)OCCCO2 ACS024030 [0,0,0,1,0,0|3,0,0]=4 29 B12R2.196 BrC1=C2C(=CN=C1)N(N=C2)C ACS018981 [0,0,0,1,0,0|2,0,1]=4 30 B12R2.196 BrC1=C2C=NN(C2=CC=C1)C ACS017786 [0,0,0,1,0,0|1,0,1]=3 31 B12R2.196 BrC1=C2CCC(C2=CC=C1)=O ACS018808 [0,0,0,1,0,0|2,0,0]=3 32 B12R2.196 BrC1=CC=CC2=C1SC=C2C ACS018379 [0,0,0,1,0,0|2,0,1]=4 33 B12R2.196 BrC1=CC=CC=2C(=COC21)C ACS017678 [0,0,0,1,0,0|2,0,1]=4 34 B12R2.196 BrC1=CC=CC=2N(C=NC21)C ACS017160 [0,0,0,1,0,0|1,0,1]=3 35 B12R2.196 BrC=1C=CC=C2C(=NNC12)C ACS017508 [0,0,0,1,0,0|3,0,0]=4 36 B12R2.196 CN1N=CC=2C(=CC=CC12)O ACS017532 [0,0,0,1,0,0|2,0,1]=4 37 B12R2.196 ClC1=C2CCC(C2=CC=C1)=O ACS019188 [0,0,0,1,0,0|2,1,0]=4 38 B12R2.196 FC1=C2C=CN(C2=CC=C1)C ACF022071 [0,0,0,1,0,0|0,1,2]=4 39 B12R2.196 FC1=C2CCC(C2=CC=C1)=O ACF019209 [0,0,0,1,0,0|2,1,0]=4 40 B12R2.196 OC1=C2CCC(C2=CC=C1)=O ACS011256 [0,0,0,1,0,0|3,0,0]=4 41 B12R2.1081 BrC1=C2CCCNC2=CC=C1 ACS017344 [0,0,0,1,0,0|2,0,0]=3 42 B12R2.1081 BrC1=C2CCCNC2=CN=C1 ACS011995 [0,0,0,1,0,0|3,0,0]=4 43 B12R2.1081 ClC1=C2CCCNC2=CC=C1 ACS019187 [0,0,0,1,0,0|2,1,0]=4 44 B12R2.1081 ClC=1C=CC=C2CCCNC12 ACS017386 [0,0,0,1,0,0|2,1,0]=4 45 B12R2.1081 FC1=C2CCCNC2=CC=C1 ACF019490 [0,0,0,1,0,0|2,1,0]=4 46 B12R2.1081 FC1=C2CCCNC2=CC=C1 ACF019491 [0,0,0,1,0,0|2,1,0]=4 47 B9R1.8 BrCCC1=CC=CC=C1 ACS013490 [2,0,0,0,0,0|1,0,0]=3 48 B9R1.8 C(C)NC1=CC=CC=C1 ACS013960 [2,0,0,0,0,0|1,0,0]=3 49 B9R1.8 C(C)OC1=NC=CC=C1 ACS010026 [2,0,0,0,0,0|2,0,0]=4 50 B9R1.8 C(C1=CC=CC=C1)ON ACS011006 [2,0,0,0,0,0|1,0,0]=3 51 B9R1.8 C(CC1=CC=CC=C1)N ACS014044 [2,0,0,0,0,0|0,0,0]=2 52 B9R1.8 C1(=CC=CC=C1)CC#N ACS011959 [2,0,0,0,0,0|0,0,2]=4 53 B9R1.8 C1(=CC=CC=C1)CCO ACS013753 [2,0,0,0,0,0|1,0,0]=3 54 B9R1.8 CNCC1=CC=CC=C1 ACS010845 [2,0,0,0,0,0|0,0,0]=2 55 B9R1.8 CNCC1=CC=CC=C1 ACS012120 [2,0,0,0,0,0|0,0,0]=2 56 B9R1.8 FCCC1=CC=CC=C1 ACF015043 [2,0,0,0,0,0|1,0,0]=3 57 B9R1.8 NCCC=1C=NC=CC1 ACS015130 [2,0,0,0,0,0|1,0,0]=3 58 B9R1.8 OCCC=1C=NC=CC1 ACS023955 [2,0,0,0,0,0|2,0,0]=4 59 B9R1.8 c1ccnc(c1)CCN ACS015129 [2,0,0,0,0,0|1,0,0]=3 60 B9R1.15 BrC1=C(C#N)C=CC=C1 ACS010528 [2,0,0,0,0,0|0,0,2]=4 61 B9R1.15 BrC1=C(C=CC=C1)CC ACS010532 [2,0,0,0,0,0|0,0,0]=2 62 B9R1.15 BrC1=C(C=CC=C1)NN ACS014051 [2,0,0,0,0,0|1,0,0]=3 63 B9R1.15 BrC1=C(C=CC=C1)OC ACS010523 [2,0,0,0,0,0|1,0,0]=3 64 B9R1.15 BrC1=C(C=NC=C1)OC ACS020691 [2,0,0,0,0,0|2,0,0]=4 65 B9R1.15 BrC1=C(C=O)C=CC=C1 ACS010524 [2,0,0,0,0,0|1,0,1]=4 66 B9R1.15 BrC1=C(CBr)C=CC=C1 ACS011810 [2,0,0,0,0,0|1,0,0]=3 67 B9R1.15 BrC1=C(CO)C=CC=C1 ACS024431 [2,0,0,0,0,0|1,0,0]=3 68 B9R1.15 BrC1=C(NC)C=CC=C1 ACS013899 [2,0,0,0,0,0|0,0,0]=2 69 B9R1.15 BrC1=NC=CC=C1OC ACS010858 [2,0,0,0,0,0|2,0,0]=4 70 B9R1.15 BrC=1C(=NC=CC1)CC ACS017418 [2,0,0,0,0,0|1,0,0]=3 71 B9R1.15 BrC=1C=NC=CC1OC ACS020289 [2,0,0,0,0,0|2,0,0]=4 72 B9R1.15 C(C)C1=C(N)C=CC=C1 ACS012493 [2,0,0,0,0,0|1,0,0]=3 73 B9R1.15 CC1=C(C=CC=C1)NN ACS010924 [2,0,0,0,0,0|2,0,0]=4 74 B9R1.15 CC1=C(CN)C=CC=C1 ACS013860 [2,0,0,0,0,0|1,0,0]=3 75 B9R1.15 CC1=CC=CC=C1NN ACS014060 [2,0,0,0,0,0|2,0,0]=4 76 B9R1.15 CCc1ccccc1I ACS016324 [2,0,0,0,0,0|0,1,0]=3 77 B9R1.15 COC1=C(C=CC=C1)O ACS014446 [2,0,0,0,0,0|2,0,0]=4 78 B9R1.15 COC1=C(N)C=CC=C1 ACS013977 [2,0,0,0,0,0|2,0,0]=4 79 B9R1.15 ClC1=C(CBr)C=CC=C1 ACS016807 [2,0,0,0,0,0|1,1,0]=4 80 B9R1.15 ClC1=C(CN)C=CC=C1 ACS013824 [2,0,0,0,0,0|0,1,0]=3 81 B9R1.15 ClC1=C(NC)C=CC=C1 ACS013922 [2,0,0,0,0,0|0,1,0]=3 82 B9R1.15 FC1=C(C=CC=C1)OC ACF014705 [2,0,0,0,0,0|1,1,0]=4 83 B9R1.15 FC1=C(CCl)C=CC=C1 ACF013513 [2,0,0,0,0,0|1,1,0]=4 84 B9R1.15 FC1=C(CN)C=CC=C1 ACF013849 [2,0,0,0,0,0|0,1,0]=3 85 B9R1.15 FC1=C(CO)C=CC=C1 ACF013706 [2,0,0,0,0,0|1,1,0]=4 86 B9R1.15 FC=1C(=NC=CC1)CN ACF021127 [2,0,0,0,0,0|1,1,0]=4 87 B9R1.15 FC=1C(=NC=CC1)CN ACF021128 [2,0,0,0,0,0|1,1,0]=4 88 B9R1.15 IC1=C(C=CC=C1)OC ACS014713 [2,0,0,0,0,0|1,1,0]=4 89 B9R1.15 IC1=C(C=CC=C1)SC ACS016147 [2,0,0,0,0,0|1,1,0]=4 90 B9R1.15 IC1=C(CBr)C=CC=C1 ACS013474 [2,0,0,0,0,0|1,1,0]=4 91 B9R1.15 IC1=C(CO)C=CC=C1 ACS013717 [2,0,0,0,0,0|1,1,0]=4 92 B9R1.15 NC1=C(CN)C=CC=C1 ACS013818 [2,0,0,0,0,0|1,0,0]=3 93 B9R1.15 NC1=C(CO)C=CC=C1 ACS013664 [2,0,0,0,0,0|2,0,0]=4 94 B9R1.15 NCC1=NC=CC=C1O ACS020575 [2,0,0,0,0,0|2,0,0]=4 95 B11R1.13 ClC1=C(C=CC=C1Cl)CCO ACS013741 [1,1,0,0,0,0|1,1,0]=4 96 B11R1.41 C(C)OC1=C(C#N)C=CC=C1 ACS013594 [1,1,0,0,0,0|2,0,0]=4 97 B11R1.41 C(C)OC1=C(C=CC=C1)OC ACS016109 [1,1,0,0,0,0|2,0,0]=4 98 B11R1.41 COC1=C(CCO)C=CC=C1 ACS012281 [1,1,0,0,0,0|2,0,0]=4 99 B11R1.81 BrC1=C(CC#N)C=CC(=C1)Cl ACS013766 [1,1,0,0,0,0|0,0,2]=4 100 B11R1.81 BrC1=CC(=C(C=C1)OCC)F ACF016079 [1,1,0,0,0,0|1,1,0]=4 101 B11R1.81 ClC1=C(C=CC(=C1)Cl)CCO ACS013742 [1,1,0,0,0,0|1,1,0]=4 102 B11R1.81 ClC1=C(C=CC(=C1)F)CNN ACF021077 [1,1,0,0,0,0|1,1,0]=4 103 B11R1.81 ClC1=C(C=CC(=C1)F)CNN ACF021078 [1,1,0,0,0,0|1,1,0]=4 104 B11R1.81 FC1=C(CCN)C=CC(=C1)F ACF014038 [1,1,0,0,0,0|0,1,0]=3 105 B11R1.86 BrC1=C(C=CC=C1)CC(=O)O ACS012928 [1,1,0,0,0,0|1,0,1]=4 106 B11R1.86 BrC1=C(C=CC=C1)OC(F)F ACF014756 [1,1,0,0,0,0|2,0,0]=4 107 B11R1.86 FC1=C(C=CC=C1)CC(N)=N ACF022179 [1,1,0,0,0,0|0,1,1]=4 108 B11R1.182 BrC1=C(C=C(C=C1)Cl)CC#N ACS012572 [1,1,0,0,0,0|0,0,2]=4 109 B11R1.182 BrC1=C(C=C(N)C=C1)OCC ACS013890 [1,1,0,0,0,0|1,0,0]=3 110 B11R1.182 BrC1=C(C=C(N)C=C1)OCC ACS015904 [1,1,0,0,0,0|1,0,0]=3 111 B11R1.182 BrC=1C=CC(=C(C1)OCC)Cl ACS014728 [1,1,0,0,0,0|1,1,0]=4 112 B11R1.182 CC1=C(C=C(C=C1)C)CCO ACS013747 [1,1,0,0,0,0|2,0,0]=4 113 B11R1.182 ClC1=C(C=C(C=C1)Cl)CCO ACS013743 [1,1,0,0,0,0|1,1,0]=4 114 B11R1.182 ClC1=C(CCN)C=C(C=C1)Cl ACS014037 [1,1,0,0,0,0|0,1,0]=3 115 B11R1.182 ClC=1C=CC(=C(C1)OCC)F ACF014731 [1,1,0,0,0,0|1,1,0]=4 116 B11R1.182 FC1=C(C=C(C=C1)F)CCO ACF016873 [1,1,0,0,0,0|1,1,0]=4 117 B11R1.222 BrC1=C(C(=O)OC)C=CC=C1 ACS010561 [1,1,0,0,0,0|1,0,1]=4 118 B11R1.222 CNC(C1=C(C=CC=C1)S)=O ACS023684 [1,1,0,0,0,0|1,0,1]=4 119 B11R1.1 BrC1=CC=C(C=C1)CCC#N ACS023956 [1,1,0,0,0,0|2,0,0]=4 120 B11R1.1 NC1=CC=C(CCNC)C=C1 ACS014035 [1,1,0,0,0,0|0,0,0]=2 121 B11R1.16 c1ccc(cc1)C(CCCl)O ACS010829 [1,1,0,0,0,0|2,0,0]=4 122 B11R1.28 BrCCOCC1=CC=CC=C1 ACS014787 [1,1,0,0,0,0|2,0,0]=4 123 B11R1.28 C(C1=CC=CC=C1)NCC#N ACS019120 [1,1,0,0,0,0|2,0,0]=4 124 B11R1.28 C(C1=CC=CC=C1)OCCO ACS010246 [1,1,0,0,0,0|2,0,0]=4 125 B11R1.28 C(CCCC)C1=CC=CC=C1 ACS011797 [1,1,0,0,0,0|1,0,0]=3 126 B11R1.28 C1(=CC=CC=C1)CCCCO ACS010447 [1,1,0,0,0,0|1,0,0]=3 127 B11R1.40 C1(=CC=CC=C1)CC(CC)=O ACS014616 [1,1,0,0,0,0|1,0,1]=4 128 B11R1.40 C1(=CC=CC=C1)OC(NC)=O ACS017176 [1,1,0,0,0,0|1,0,1]=4 129 B11R1.91 [N+](=O)([O-])CCC1=CC=CC=C1 ACS012492 [1,1,0,0,0,0|1,0,1]=4 130 B13R1.369 CC=1C=CC(=C(C1)O)CCCCC ACS014449 [0,2,0,0,0,0|2,0,0]=4 131 B11R2.10 C1N(CC2=CC=CC=C12)N ACS019146 [1,0,0,1,0,0|2,0,0]=4 132 B11R2.10 CC=1CC2=CC=CC=C2C1 ACS010787 [1,0,0,1,0,0|1,0,1]=4 133 B11R2.10 ON1CC2=CC=CC=C2C1 ACS015477 [1,0,0,1,0,0|2,0,0]=4 134 B11R2.10 c1ccc2c(c1)CC(C2)N ACS015406 [1,0,0,1,0,0|1,0,0]=3 135 B11R2.20 N1=CC=CC=2CCCCC12 ACS010857 [1,0,0,1,0,0|2,0,0]=4 136 B11R2.20 O1CCNC2=C1C=CC=C2 ACS023745 [1,0,0,1,0,0|2,0,0]=4 137 B11R2.106 BrC1=C2C=NNC2=CC=C1 ACS011082 [1,0,0,1,0,0|1,0,1]=4 138 B11R2.106 BrC1=C2CCNC2=CC=C1 ACS019162 [1,0,0,1,0,0|0,0,0]=2 139 B11R2.106 BrC1=C2CNCC2=CC=C1 ACS020170 [1,0,0,1,0,0|0,0,0]=2 140 B11R2.106 C1COC2=C1C=CC=C2Br ACS020374 [1,0,0,1,0,0|1,0,0]=3 141 B11R2.106 C1NCC=2C(=CC=CC12)N ACS018641 [1,0,0,1,0,0|1,0,0]=3 142 B11R2.106 FC1=C2CCNC2=CC=C1 ACF016924 [1,0,0,1,0,0|0,1,0]=3 143 B11R2.238 C1(=CC=CC=C1)SC2CC2 ACS011377 [1,0,0,1,0,0|2,0,0]=4 144 B13R2.33 C1=CC=CC2=C1CCC(CC2)=O ACS018799 [0,1,0,1,0,0|2,0,0]=4 145 B13R2.435 C(C)(=O)C1CC2=CC=CC=C2C1 ACS015403 [0,1,0,1,0,0|2,0,0]=4 146 B13R2.5179 BrC1=C2CCC(CC2=CC=C1)=O ACS011836 [0,1,0,1,0,0|1,0,0]=3 147 B13R2.18 BrC1=C(C=CC=C1)C2OCCO2 ACS016233 [0,1,0,1,0,0|2,0,0]=4 148 B13R2.18 FC1=C(C=CC=C1)C2NCCC2 ACF021180 [0,1,0,1,0,0|1,1,0]=4 149 B13R2.342 NC1=C2CCNC(C2=CC=C1)=O ACS019174 [0,1,0,1,0,0|1,0,1]=4 150 B13R2.3569 FC1=C(C=CC=C1)C2(CNC2)O ACF022191 [0,1,0,1,0,0|0,1,0]=3 151 B13R2.3569 FC=1C(=NC=CC1)C2(CNC2)O ACF023526 [0,1,0,1,0,0|1,1,0]=4