0 B11R1.24 CCCOC1=NC=CC(Br)=C1 MC430459 [0,0,0,0,0,0|3,1,0]=4 1 B11R1.24 ClC1=CC=CC(OCCBr)=C1 MC433477 [0,0,0,0,0,0|3,1,0]=4 2 B11R1.24 FC1=CC=CC(CN=C=S)=C1 MC41079 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.10 Br[Zn]Cc1cccc(Br)c1 MC121352 [1,0,0,0,0,0|2,1,0]=4 4 B10R1.10 C=CCC1=CC=CC(O)=C1 MC425380 [1,0,0,0,0,0|1,0,2]=4 5 B10R1.10 CC1=CC(CC#N)=CC=C1 CS18941 [1,0,0,0,0,0|1,0,2]=4 6 B10R1.10 CC1=CC(CCO)=CC=C1 CS22372 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.10 CCCc1cccc(F)c1 MC440476 [1,0,0,0,0,0|0,0,0]=1 8 B10R1.10 CCNC1=NC=CC(N)=C1 CS14774 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.10 CCOC1=CC(Br)=NC=C1 MC430483 [1,0,0,0,0,0|2,1,0]=4 10 B10R1.10 CCOC1=CC(N)=NC=C1 MC20309 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.10 CCOC1=CC=CC(N)=N1 MC33459 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.10 CCOC1=CN=CC(Br)=C1 MC107004 [1,0,0,0,0,0|2,1,0]=4 13 B10R1.10 CCOC1=CN=CC(Cl)=C1 MC443271 [1,0,0,0,0,0|2,1,0]=4 14 B10R1.10 CCOC1=NC=CC(Cl)=C1 MC113277 [1,0,0,0,0,0|2,1,0]=4 15 B10R1.10 CNCC1=CC(F)=CN=C1 MC105914 [1,0,0,0,0,0|1,0,0]=2 16 B10R1.10 CNCC1=NC=CC(C)=N1 MC104234 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.10 CNCC1=NC=CC(Cl)=C1 MC102697 [1,0,0,0,0,0|1,1,0]=3 18 B10R1.10 COCC1=CC(Cl)=NC=C1 MC425095 [1,0,0,0,0,0|2,1,0]=4 19 B10R1.10 FC1=CC(N=C=S)=CC=C1 MC33130 [1,0,0,0,0,0|2,0,1]=4 20 B10R1.10 FC1=CC=CC(CCBr)=C1 MC40572 [1,0,0,0,0,0|1,0,0]=2 21 B10R1.10 Fc1cccc(C[Zn]Cl)c1 MC121345 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.10 N#CCC1=CC(Br)=CC=C1 CS18969 [1,0,0,0,0,0|0,1,2]=4 23 B10R1.10 N#CCC1=CC(Cl)=CC=C1 CS13745 [1,0,0,0,0,0|0,1,2]=4 24 B10R1.10 N#CCC1=CC(F)=CC=C1 MC20212 [1,0,0,0,0,0|0,0,2]=3 25 B10R1.10 N#CCC1=CC(F)=CN=C1 MC102190 [1,0,0,0,0,0|1,0,2]=4 26 B10R1.10 N#CCC1=CC(N)=CC=C1 MC433930 [1,0,0,0,0,0|1,0,2]=4 27 B10R1.10 NC1=CC=CC(CCO)=C1 CS22105 [1,0,0,0,0,0|2,0,0]=3 28 B10R1.10 NCCC1=CC(Br)=CC=C1 CS15159 [1,0,0,0,0,0|0,1,0]=2 29 B10R1.10 NCCC1=CC(F)=CC=C1 MC40979 [1,0,0,0,0,0|0,0,0]=1 30 B10R1.10 NNCC1=CC(O)=CC=C1 MC10382 [1,0,0,0,0,0|2,0,0]=3 31 B10R1.10 O=C=NC1=CC(F)=CC=C1 MC41043 [1,0,0,0,0,0|2,0,1]=4 32 B10R1.10 O=CCC1=CC(O)=CC=C1 MC106361 [1,0,0,0,0,0|2,0,1]=4 33 B10R1.10 OCCC1=CC(Br)=CC=C1 CS22186 [1,0,0,0,0,0|1,1,0]=3 34 B10R1.10 OCCC1=CC(Cl)=CC=C1 CS22241 [1,0,0,0,0,0|1,1,0]=3 35 B10R1.10 OCCC1=CC(F)=CC=C1 MC40743 [1,0,0,0,0,0|1,0,0]=2 36 B10R1.17 BrCCOC1=CC=CC=C1 MC20150 [1,0,0,0,0,0|3,0,0]=4 37 B10R1.17 Br[Zn]CCc1ccccc1 MC121341 [1,0,0,0,0,0|2,0,0]=3 38 B10R1.17 CNCCC1=CC=CC=C1 MC446670 [1,0,0,0,0,0|0,0,0]=1 39 B10R1.17 ClCCOC1=CC=CC=C1 MC33174 [1,0,0,0,0,0|3,0,0]=4 40 B10R1.17 NCCCC1=CC=NC=C1 MC425564 [1,0,0,0,0,0|3,0,0]=4 41 B10R1.17 NCCOC1=CC=CC=C1 CS20484 [1,0,0,0,0,0|3,0,0]=4 42 B10R1.17 NOCCC1=CC=NC=C1 MC427573 [1,0,0,0,0,0|3,0,0]=4 43 B10R1.17 OCCCC1=CC=NC=C1 CS22019 [1,0,0,0,0,0|3,0,0]=4 44 B10R1.17 OCCOC1=CC=CC=C1 MC41398 [1,0,0,0,0,0|3,0,0]=4 45 B12R1.17 N#CCC(=O)C1=CC(F)=CC=C1 MC429587 [0,1,0,0,0,0|2,0,1]=4 46 B12R1.17 NC(CCO)C1=CC(Cl)=CC=C1 CS19263 [0,1,0,0,0,0|2,1,0]=4 47 B12R1.25 COCOC1=CC=CC(Br)=C1O MC442836 [0,1,0,0,0,0|2,1,0]=4 48 B12R1.28 CCCCOC1=CC=CC(O)=C1 MC445596 [0,1,0,0,0,0|2,0,0]=3 49 B12R1.28 NCCCOC1=CC(Cl)=CC=C1 MC425612 [0,1,0,0,0,0|2,1,0]=4 50 B12R1.50 CCC(C)OC1=CC=CC(O)=C1 MC112599 [0,1,0,0,0,0|3,0,0]=4 51 B12R1.50 COC(=O)CC1=CC(Br)=CC=C1 CS20169 [0,1,0,0,0,0|1,1,1]=4 52 B12R1.50 COC(=O)CC1=CC(F)=CC=C1 MC433952 [0,1,0,0,0,0|1,0,1]=3 53 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 CS15979 [0,1,0,0,0,0|2,0,1]=4 54 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 MC40063 [0,1,0,0,0,0|2,0,1]=4 55 B12R1.50 COC(=O)CC1=CC(O)=CC=C1 CS22324 [0,1,0,0,0,0|2,0,1]=4 56 B12R1.50 NC(CO)CC1=CC(F)=CC=C1 MC431472 [0,1,0,0,0,0|2,0,0]=3 57 B12R1.50 NNC(=O)CC1=CC(Br)=CC=C1 MC111969 [0,1,0,0,0,0|1,1,1]=4 58 B12R1.100 CCCCC1=CC(F)=CC(F)=C1 MC440247 [0,1,0,0,0,0|1,0,0]=2 59 B12R1.226 CC(C)COC1=CC=CC(O)=C1 MC112276 [0,1,0,0,0,0|3,0,0]=4 60 B12R1.226 O=C(O)CCC1=CC(Br)=CC=C1 CS21658 [0,1,0,0,0,0|2,1,0]=4 61 B12R1.226 O=C(O)CCC1=CC(Cl)=CC=C1 CS13948 [0,1,0,0,0,0|2,1,0]=4 62 B12R1.226 O=C(O)CCc1cccc(F)c1 MC40203 [0,1,0,0,0,0|2,0,0]=3 63 B12R1.382 CCNCC1=CC=CC(C#N)=C1 MC112218 [0,1,0,0,0,0|3,0,0]=4 64 B12R1.385 CCCCC1=CC=C(N)C(N)=C1 MC445204 [0,1,0,0,0,0|2,0,0]=3 65 B12R2.24 BrC1=CC2=C(CNCC2)N=C1 MC104843 [0,0,0,1,0,0|1,1,0]=3 66 B12R2.24 BrC1=CC=C2CCCCC2=C1 CS16753 [0,0,0,1,0,0|1,1,0]=3 67 B12R2.24 BrC1=CC=C2CCCNC2=C1 CS18621 [0,0,0,1,0,0|2,1,0]=4 68 B12R2.24 BrC1=CC=C2CCCOC2=C1 MC443258 [0,0,0,1,0,0|2,1,0]=4 69 B12R2.24 BrC1=CC=C2CCNCC2=C1 CS19606 [0,0,0,1,0,0|2,1,0]=4 70 B12R2.24 BrC1=CC=C2CCOCC2=C1 CS16547 [0,0,0,1,0,0|2,1,0]=4 71 B12R2.24 BrC1=CC=C2CNCCC2=C1 CS10618 [0,0,0,1,0,0|0,1,0]=2 72 B12R2.24 BrC1=CC=C2CNCCC2=C1 CS17620 [0,0,0,1,0,0|0,1,0]=2 73 B12R2.24 BrC1=CC=C2COCCC2=C1 MC441107 [0,0,0,1,0,0|1,1,0]=3 74 B12R2.24 BrC1=CC=C2NCCCC2=C1 CS19737 [0,0,0,1,0,0|2,1,0]=4 75 B12R2.24 BrC1=CC=C2OCCCC2=C1 CS19916 [0,0,0,1,0,0|2,1,0]=4 76 B12R2.24 BrC1=NC2=C(C=C1)CNCC2 MC100126 [0,0,0,1,0,0|1,1,0]=3 77 B12R2.24 CC1=CC=C2CCCCC2=C1 CS10746 [0,0,0,1,0,0|2,0,0]=3 78 B12R2.24 CC1=CC=C2CCNCC2=C1 CS18155 [0,0,0,1,0,0|3,0,0]=4 79 B12R2.24 CC1=CC=C2CNCCC2=C1 MC431469 [0,0,0,1,0,0|1,0,0]=2 80 B12R2.24 ClC1=CC2=C(CNCC2)N=N1 MC20767 [0,0,0,1,0,0|2,1,0]=4 81 B12R2.24 ClC1=CC=C2CCCNC2=C1 MC443569 [0,0,0,1,0,0|2,1,0]=4 82 B12R2.24 ClC1=CC=C2NCCCC2=C1 CS14585 [0,0,0,1,0,0|2,1,0]=4 83 B12R2.24 ClC1=NC2=C(C=C1)CCCC2 CS16899 [0,0,0,1,0,0|2,1,0]=4 84 B12R2.24 ClC1=NC2=C(C=C1)CNCC2 CS12512 [0,0,0,1,0,0|1,1,0]=3 85 B12R2.24 ClC1=NC2=C(C=N1)CNCC2 MC100239 [0,0,0,1,0,0|2,1,0]=4 86 B12R2.24 FC1=CC=C2CNCCC2=C1 MC106618 [0,0,0,1,0,0|0,0,0]=1 87 B12R2.24 FC1=CC=C2NCCCC2=C1 MC441111 [0,0,0,1,0,0|2,0,0]=3 88 B12R2.24 IC1=CC=C2OCCCC2=C1 MC425133 [0,0,0,1,0,0|2,1,0]=4 89 B12R2.24 NC1=CC=C2CCNCC2=C1 MC443158 [0,0,0,1,0,0|3,0,0]=4 90 B12R2.24 NC1=NC2=C(C=N1)CNCC2 MC441253 [0,0,0,1,0,0|3,0,0]=4 91 B12R2.24 OC1=CC2=C(C=C1)CCCC2 CS13514 [0,0,0,1,0,0|2,0,0]=3 92 B12R2.24 OC1=CC=C2CCCNC2=C1 CS10898 [0,0,0,1,0,0|3,0,0]=4 93 B12R2.24 OC1=CC=C2CCNCC2=C1 CS17696 [0,0,0,1,0,0|3,0,0]=4 94 B12R2.24 OC1=CC=C2CNCCC2=C1 CS18391 [0,0,0,1,0,0|1,0,0]=2 95 B12R2.24 OC1=CC=C2NCCCC2=C1 CS18990 [0,0,0,1,0,0|3,0,0]=4 96 B12R2.203 CC1=C2C(=CC=C1)C=NN2C CS17810 [0,0,0,1,0,0|2,0,1]=4 97 B12R2.203 CC1=NNC2=CC=CC(F)=C21 MC441186 [0,0,0,1,0,0|3,0,0]=4 98 B12R2.203 CN1N=CC2=CC=CC(Br)=C21 CS12330 [0,0,0,1,0,0|1,1,1]=4 99 B12R2.203 CN1N=CC2=CC=CC(N)=C21 MC444436 [0,0,0,1,0,0|2,0,1]=4 100 B12R2.203 O=C1CCC2=CC=CC(Br)=C12 MC106557 [0,0,0,1,0,0|2,1,0]=4 101 B12R2.203 O=C1CCC2=CC=CC(Cl)=C12 MC429388 [0,0,0,1,0,0|2,1,0]=4 102 B12R2.203 O=C1CCC2=CC=CC(F)=C12 CS15500 [0,0,0,1,0,0|2,0,0]=3 103 B12R2.203 O=C1CCC2=CC=CC(I)=C12 MC113777 [0,0,0,1,0,0|2,1,0]=4 104 B12R2.203 O=C1CCC2=CC=CC(O)=C12 CS12591 [0,0,0,1,0,0|3,0,0]=4 105 B12R2.203 O=C1COC2=C1C(F)=CC=C2 MC113791 [0,0,0,1,0,0|3,0,0]=4 106 B12R2.612 CC1=CC=C2C(=O)CCC2=C1 MC446693 [0,0,0,1,0,0|3,0,0]=4 107 B12R2.612 CC1=NNC2=CC(F)=CC=C21 MC441188 [0,0,0,1,0,0|3,0,0]=4 108 B12R2.612 CN1C=CC2=CC(Br)=CC=C21 CS10246 [0,0,0,1,0,0|0,1,2]=4 109 B12R2.612 CN1C=CC2=CC(O)=CC=C21 MC102986 [0,0,0,1,0,0|1,0,2]=4 110 B12R2.612 CN1C=NC2=C1C=CC(Br)=C2 MC442223 [0,0,0,1,0,0|1,1,1]=4 111 B12R2.612 CN1C=NC2=C1C=CC(O)=C2 MC33533 [0,0,0,1,0,0|2,0,1]=4 112 B12R2.612 CN1N=CC2=CC(Br)=CC=C21 MC41765 [0,0,0,1,0,0|1,1,1]=4 113 B12R2.612 CN1N=CC2=CC(N)=CC=C21 CS18338 [0,0,0,1,0,0|2,0,1]=4 114 B12R2.612 CN1N=CC2=CC(O)=CC=C21 CS13076 [0,0,0,1,0,0|2,0,1]=4 115 B12R2.612 CN1N=NC2=C1C=CC(Br)=C2 MC427583 [0,0,0,1,0,0|2,1,0]=4 116 B12R2.612 ClC1CCC2=CC(Br)=CC=C21 CS16081 [0,0,0,1,0,0|2,1,0]=4 117 B12R2.612 NC1=CC=C2C(=O)CCC2=C1 MC446737 [0,0,0,1,0,0|3,0,0]=4 118 B12R2.612 NC1CCC2=CC(F)=CC=C21 MC431475 [0,0,0,1,0,0|2,0,0]=3 119 B12R2.612 O=C1CCC2=CC(Br)=CC=C12 CS21498 [0,0,0,1,0,0|2,1,0]=4 120 B12R2.612 O=C1CCC2=CC(Cl)=CC=C12 CS22043 [0,0,0,1,0,0|2,1,0]=4 121 B12R2.612 O=C1CCC2=CC(F)=CC=C12 MC10164 [0,0,0,1,0,0|2,0,0]=3 122 B12R2.612 O=C1CCC2=CC(O)=CC=C12 CS11017 [0,0,0,1,0,0|3,0,0]=4 123 B12R2.612 O=C1NCC2=CC(F)=CC=C12 CS15892 [0,0,0,1,0,0|3,0,0]=4 124 B12R2.612 O=C1OCC2=CC(F)=CC=C12 MC113738 [0,0,0,1,0,0|3,0,0]=4 125 B12R2.1081 BrC1=C2CCCNC2=CC=C1 CS18620 [0,0,0,1,0,0|2,1,0]=4 126 B12R2.1081 BrC1=C2CCCNC2=CC=C1 MC441076 [0,0,0,1,0,0|2,1,0]=4 127 B12R2.1081 BrC1=C2CCNCC2=CC=C1 CS19342 [0,0,0,1,0,0|2,1,0]=4 128 B12R2.1081 BrC1=C2CNCCC2=CC=C1 CS12481 [0,0,0,1,0,0|0,1,0]=2 129 B12R2.1081 BrC1=C2CNCCC2=CC=C1 CS15449 [0,0,0,1,0,0|0,1,0]=2 130 B12R2.1081 Cc1ncnc2c1CNCC2 MC100176 [0,0,0,1,0,0|3,0,0]=4 131 B12R2.1081 ClC1=C2CCCNC2=CC=C1 CS19411 [0,0,0,1,0,0|2,1,0]=4 132 B12R2.1081 ClC1=C2CNCCC2=CC=C1 CS17691 [0,0,0,1,0,0|0,1,0]=2 133 B12R2.1081 ClC1=C2NCCCC2=CC=C1 MC441108 [0,0,0,1,0,0|2,1,0]=4 134 B12R2.1081 ClC1=CC=NC2=C1CCCC2 CS16900 [0,0,0,1,0,0|2,1,0]=4 135 B12R2.1081 Clc1ncnc2c1CNCC2 MC100168 [0,0,0,1,0,0|2,1,0]=4 136 B12R2.1081 FC1=C2CCCNC2=CC=C1 MC100194 [0,0,0,1,0,0|2,0,0]=3 137 B12R2.1081 FC1=C2CCCNC2=CC=C1 MC430214 [0,0,0,1,0,0|2,0,0]=3 138 B12R2.1081 FC1=C2CCNCC2=CC=C1 CS19337 [0,0,0,1,0,0|2,0,0]=3 139 B12R2.1081 FC1=C2CCNCC2=CC=C1 MC431444 [0,0,0,1,0,0|2,0,0]=3 140 B12R2.1081 FC1=CC=CC2=C1CC=CO2 MC41786 [0,0,0,1,0,0|2,0,1]=4 141 B12R2.1081 FC1=CC=CC2=C1NCCO2 MC443372 [0,0,0,1,0,0|3,0,0]=4 142 B12R2.1081 OC1=C2CNCCC2=CC=C1 MC105733 [0,0,0,1,0,0|1,0,0]=2 143 B12R2.1081 OC1=C2NCCCC2=CC=C1 CS19254 [0,0,0,1,0,0|3,0,0]=4 144 B12R2.1081 OC1=CC=CC2=C1CCNC2 MC425651 [0,0,0,1,0,0|3,0,0]=4 145 B12R2.2313 BrC1=CC(C2CCC2)=NC=C1 MC110669 [0,0,0,1,0,0|2,1,0]=4 146 B12R2.2313 BrC1=CC=CC(C2COC2)=C1 MC115757 [0,0,0,1,0,0|1,1,0]=3 147 B9R1.2 BrCC1=CC(I)=CC=C1 MC40562 [2,0,0,0,0,0|1,1,0]=4 148 B9R1.2 BrCC1=CC=CC(Br)=C1 CS19344 [2,0,0,0,0,0|1,1,0]=4 149 B9R1.2 C#CC1=CC(F)=CC=C1 CS20642 [2,0,0,0,0,0|0,0,2]=4 150 B9R1.2 CC1=CC(CN)=CC=C1 CS19644 [2,0,0,0,0,0|1,0,0]=3 151 B9R1.2 CC1=CC(NN)=CC=C1 CS19574 [2,0,0,0,0,0|2,0,0]=4 152 B9R1.2 CC1=CC=CC(CCl)=C1 MC40602 [2,0,0,0,0,0|2,0,0]=4 153 B9R1.2 CC1=CC=CC(CF)=C1 MC433869 [2,0,0,0,0,0|2,0,0]=4 154 B9R1.2 CC1=CC=CC(CN)=N1 CS18414 [2,0,0,0,0,0|2,0,0]=4 155 B9R1.2 CC1=NC=CC(CN)=C1 MC443686 [2,0,0,0,0,0|2,0,0]=4 156 B9R1.2 CCC1=CC=CC(Br)=C1 MC30292 [2,0,0,0,0,0|0,1,0]=3 157 B9R1.2 CCC1=CC=CC(Br)=N1 CS15322 [2,0,0,0,0,0|1,1,0]=4 158 B9R1.2 CCC1=CC=CC(C)=C1 MC425590 [2,0,0,0,0,0|1,0,0]=3 159 B9R1.2 CCC1=CC=CC(N)=C1 MC433319 [2,0,0,0,0,0|1,0,0]=3 160 B9R1.2 CCC1=CC=C[N+]([O-])=C1 MC427174 [2,0,0,0,0,0|2,0,0]=4 161 B9R1.2 CCC1=CN=CC(Br)=C1 CS11907 [2,0,0,0,0,0|1,1,0]=4 162 B9R1.2 CCC1=NC=CC(N)=C1 MC105214 [2,0,0,0,0,0|2,0,0]=4 163 B9R1.2 CNC1=CC(Br)=CC=C1 CS22185 [2,0,0,0,0,0|0,1,0]=3 164 B9R1.2 CNC1=CC(Br)=CC=C1 MC40876 [2,0,0,0,0,0|0,1,0]=3 165 B9R1.2 CNC1=CC(Br)=CN=C1 MC443556 [2,0,0,0,0,0|1,1,0]=4 166 B9R1.2 CNC1=CC(Br)=NC=C1 MC442736 [2,0,0,0,0,0|1,1,0]=4 167 B9R1.2 CNC1=CC(Cl)=CC=C1 MC20486 [2,0,0,0,0,0|0,1,0]=3 168 B9R1.2 CNC1=CC(N)=CC=C1 CS16640 [2,0,0,0,0,0|1,0,0]=3 169 B9R1.2 CNC1=CC=CC(O)=C1 MC442233 [2,0,0,0,0,0|1,0,0]=3 170 B9R1.2 CNC1=NC=CC(Br)=C1 MC33481 [2,0,0,0,0,0|1,1,0]=4 171 B9R1.2 CNC1=NC=CC(Cl)=C1 MC430266 [2,0,0,0,0,0|1,1,0]=4 172 B9R1.2 CNC1=NC=CC(N)=C1 CS16967 [2,0,0,0,0,0|2,0,0]=4 173 B9R1.2 COC1=CC(F)=NC=C1 CS14826 [2,0,0,0,0,0|2,0,0]=4 174 B9R1.2 COC1=CC=CC(Cl)=C1 CS19894 [2,0,0,0,0,0|1,1,0]=4 175 B9R1.2 COC1=CC=CC(F)=C1 CS19929 [2,0,0,0,0,0|1,0,0]=3 176 B9R1.2 COC1=CC=CC(F)=N1 CS13652 [2,0,0,0,0,0|2,0,0]=4 177 B9R1.2 COC1=CC=CC(N)=C1 CS19943 [2,0,0,0,0,0|2,0,0]=4 178 B9R1.2 COC1=CC=CC(O)=C1 CS18747 [2,0,0,0,0,0|2,0,0]=4 179 B9R1.2 COC1=NC=CC(F)=C1 CS11908 [2,0,0,0,0,0|2,0,0]=4 180 B9R1.2 CSC1=CC(N)=CC=C1 MC20570 [2,0,0,0,0,0|2,0,0]=4 181 B9R1.2 ClC1=CC=CC(CBr)=C1 CS22235 [2,0,0,0,0,0|1,1,0]=4 182 B9R1.2 ClCC1=CC(Br)=CC=C1 MC40579 [2,0,0,0,0,0|1,1,0]=4 183 B9R1.2 ClCC1=CC(Cl)=CC=C1 MC40582 [2,0,0,0,0,0|1,1,0]=4 184 B9R1.2 FC1=CC=CC(CBr)=C1 MC40552 [2,0,0,0,0,0|1,0,0]=3 185 B9R1.2 FC1=CC=CC(CCl)=C1 CS19068 [2,0,0,0,0,0|1,0,0]=3 186 B9R1.2 FCC1=CC=CC(F)=C1 MC433530 [2,0,0,0,0,0|1,0,0]=3 187 B9R1.2 N#CC1=CC(F)=CC=C1 MC20044 [2,0,0,0,0,0|0,0,2]=4 188 B9R1.2 NC1=CC=CC(CO)=C1 CS18821 [2,0,0,0,0,0|2,0,0]=4 189 B9R1.2 NCC1=CC(Br)=CC=C1 CS19652 [2,0,0,0,0,0|0,1,0]=3 190 B9R1.2 NCC1=CC(Br)=CC=C1 MC40798 [2,0,0,0,0,0|0,1,0]=3 191 B9R1.2 NCC1=CC(Br)=CN=C1 MC106753 [2,0,0,0,0,0|1,1,0]=4 192 B9R1.2 NCC1=CC(Br)=NC=C1 CS17247 [2,0,0,0,0,0|1,1,0]=4 193 B9R1.2 NCC1=CC(Cl)=CC=C1 MC33134 [2,0,0,0,0,0|0,1,0]=3 194 B9R1.2 NCC1=CC(Cl)=NC=C1 CS16037 [2,0,0,0,0,0|1,1,0]=4 195 B9R1.2 NCC1=CC(F)=CC=C1 MC33025 [2,0,0,0,0,0|0,0,0]=2 196 B9R1.2 NCC1=CC(F)=CN=C1 MC431591 [2,0,0,0,0,0|1,0,0]=3 197 B9R1.2 NCC1=CC(F)=NC=C1 MC116260 [2,0,0,0,0,0|1,0,0]=3 198 B9R1.2 NCC1=CC(I)=CC=C1 CS22330 [2,0,0,0,0,0|0,1,0]=3 199 B9R1.2 NCC1=CC(N)=NC=C1 CS17453 [2,0,0,0,0,0|2,0,0]=4 200 B9R1.2 NCC1=CN=CC(N)=C1 MC33458 [2,0,0,0,0,0|2,0,0]=4 201 B9R1.2 NCC1=NC(Br)=CC=C1 CS10635 [2,0,0,0,0,0|1,1,0]=4 202 B9R1.2 NCC1=NC(Br)=CC=C1 MC425058 [2,0,0,0,0,0|1,1,0]=4 203 B9R1.2 NCC1=NC(F)=CC=C1 CS13193 [2,0,0,0,0,0|1,0,0]=3 204 B9R1.2 NCC1=NC=CC(Br)=C1 CS12824 [2,0,0,0,0,0|1,1,0]=4 205 B9R1.2 NCC1=NC=CC(Br)=C1 CS15559 [2,0,0,0,0,0|1,1,0]=4 206 B9R1.2 NCC1=NC=CC(Cl)=C1 MC113773 [2,0,0,0,0,0|1,1,0]=4 207 B9R1.2 NNC1=CC(Br)=CC=C1 CS19465 [2,0,0,0,0,0|1,1,0]=4 208 B9R1.2 NNC1=CC(Cl)=CC=C1 CS19479 [2,0,0,0,0,0|1,1,0]=4 209 B9R1.2 NNC1=CC(F)=CC=C1 CS19485 [2,0,0,0,0,0|1,0,0]=3 210 B9R1.2 NNC1=NC=CC(F)=C1 MC115508 [2,0,0,0,0,0|2,0,0]=4 211 B9R1.2 O=CC1=CC(F)=CC=C1 CS22298 [2,0,0,0,0,0|1,0,1]=4 212 B9R1.2 OC1=CC(CBr)=CC=C1 MC425573 [2,0,0,0,0,0|2,0,0]=4 213 B9R1.2 OCC1=CC(F)=CC=C1 CS19069 [2,0,0,0,0,0|1,0,0]=3 214 B9R1.2 OCC1=CC(F)=CN=C1 MC430713 [2,0,0,0,0,0|2,0,0]=4 215 B9R1.2 OCC1=CC(F)=NC=C1 CS21547 [2,0,0,0,0,0|2,0,0]=4 216 B9R1.2 OCC1=CC(O)=CC=C1 MC40720 [2,0,0,0,0,0|2,0,0]=4 217 B9R1.2 OCC1=NC(F)=CC=C1 MC430488 [2,0,0,0,0,0|2,0,0]=4 218 B9R1.8 BrCCC1=CC=CC=C1 MC40571 [2,0,0,0,0,0|1,0,0]=3 219 B9R1.8 Br[Zn]Cc1ccccc1 MC121333 [2,0,0,0,0,0|2,0,0]=4 220 B9R1.8 CCCC1=CC=CN=C1 CS22402 [2,0,0,0,0,0|1,0,0]=3 221 B9R1.8 CCNC1=CC=CC=C1 MC40913 [2,0,0,0,0,0|1,0,0]=3 222 B9R1.8 CCOC1=NC=CC=C1 CS18732 [2,0,0,0,0,0|2,0,0]=4 223 B9R1.8 CNCC1=CC=CC=C1 MC10559 [2,0,0,0,0,0|0,0,0]=2 224 B9R1.8 CNCC1=CC=CC=C1 MC20323 [2,0,0,0,0,0|0,0,0]=2 225 B9R1.8 CNCC1=CC=CC=C1 MC21006 [2,0,0,0,0,0|0,0,0]=2 226 B9R1.8 CNCC1=CC=CN=C1 CS18846 [2,0,0,0,0,0|1,0,0]=3 227 B9R1.8 CNCC1=CN=CN=C1 MC103834 [2,0,0,0,0,0|2,0,0]=4 228 B9R1.8 COCC1=NC=CC=C1 CS20909 [2,0,0,0,0,0|2,0,0]=4 229 B9R1.8 ClCCC1=CC=CC=C1 MC40609 [2,0,0,0,0,0|1,0,0]=3 230 B9R1.8 ClCCC1=CC=NC=C1 CS17913 [2,0,0,0,0,0|2,0,0]=4 231 B9R1.8 FCCC1=CC=CC=C1 MC41557 [2,0,0,0,0,0|1,0,0]=3 232 B9R1.8 NCCC1=CC=CC=C1 MC40983 [2,0,0,0,0,0|0,0,0]=2 233 B9R1.8 NCCC1=CC=CN=C1 CS21892 [2,0,0,0,0,0|1,0,0]=3 234 B9R1.8 NCCC1=NC=CC=C1 CS14064 [2,0,0,0,0,0|1,0,0]=3 235 B9R1.8 NCCC1=NC=NC=C1 MC104796 [2,0,0,0,0,0|2,0,0]=4 236 B9R1.8 NNCC1=CC=CC=C1 CS11006 [2,0,0,0,0,0|1,0,0]=3 237 B9R1.8 NNCC1=CC=CC=C1 CS12127 [2,0,0,0,0,0|1,0,0]=3 238 B9R1.8 NNCC1=CC=CN=C1 MC111189 [2,0,0,0,0,0|2,0,0]=4 239 B9R1.8 NNCC1=CC=CN=C1 MC111240 [2,0,0,0,0,0|2,0,0]=4 240 B9R1.8 NNCC1=CC=NC=C1 MC111241 [2,0,0,0,0,0|2,0,0]=4 241 B9R1.8 NNCC1=NC=CC=C1 MC111239 [2,0,0,0,0,0|2,0,0]=4 242 B9R1.8 NOCC1=CC=CC=C1 CS14063 [2,0,0,0,0,0|1,0,0]=3 243 B9R1.8 OCCC1=CC=CC=C1 MC40745 [2,0,0,0,0,0|1,0,0]=3 244 B9R1.8 ONCC1=CC=CC=C1 CS11753 [2,0,0,0,0,0|1,0,0]=3 245 B11R1.13 CCOc1cccc(F)c1F MC433141 [1,1,0,0,0,0|1,0,0]=3 246 B11R1.13 CNCC1=C(Cl)C(Cl)=CC=C1 CS20112 [1,1,0,0,0,0|0,1,0]=3 247 B11R1.13 N#CCC1=C(F)C(F)=CC=C1 CS18734 [1,1,0,0,0,0|0,0,2]=4 248 B11R1.13 OCCC1=C(Cl)C(Cl)=CC=C1 MC40738 [1,1,0,0,0,0|1,1,0]=4 249 B11R1.23 CCC(=O)C1=CC(Br)=CC=C1 MC41278 [1,1,0,0,0,0|0,1,1]=4 250 B11R1.23 CCC(=O)C1=CC(Cl)=CC=C1 MC41280 [1,1,0,0,0,0|0,1,1]=4 251 B11R1.23 CCC(=O)C1=CC(F)=CC=C1 MC41284 [1,1,0,0,0,0|0,0,1]=3 252 B11R1.23 CCC(=O)C1=CC(N)=CC=C1 MC433258 [1,1,0,0,0,0|1,0,1]=4 253 B11R1.23 CCC(N)C1=CC(Br)=CN=C1 MC112156 [1,1,0,0,0,0|1,1,0]=4 254 B11R1.23 COC(=O)C1=CC(F)=CC=C1 MC40102 [1,1,0,0,0,0|1,0,1]=4 255 B11R1.23 NC(CO)C1=CC(I)=CC=C1 MC103511 [1,1,0,0,0,0|1,1,0]=4 256 B11R1.23 NCC(O)C1=CC(Br)=CC=C1 MC111476 [1,1,0,0,0,0|0,1,0]=3 257 B11R1.23 NNC(=O)C1=CC(F)=CC=C1 MC429588 [1,1,0,0,0,0|1,0,1]=4 258 B11R1.23 O=C(CBr)C1=CC(F)=CC=C1 CS15383 [1,1,0,0,0,0|1,0,1]=4 259 B11R1.23 OC(CBr)C1=CC(Br)=CC=C1 MC111475 [1,1,0,0,0,0|1,1,0]=4 260 B11R1.34 C#CCC1=CC(F)=CC(F)=C1 MC431174 [1,1,0,0,0,0|0,0,2]=4 261 B11R1.34 CCOC1=CC(F)=NC(F)=C1 MC33463 [1,1,0,0,0,0|2,0,0]=4 262 B11R1.34 N#CCC1=CC(Br)=CC(F)=C1 MC40757 [1,1,0,0,0,0|0,0,2]=4 263 B11R1.34 N#CCC1=CC(Cl)=CC(F)=C1 MC40763 [1,1,0,0,0,0|0,0,2]=4 264 B11R1.34 N#CCC1=CC(F)=CC(F)=C1 CS20643 [1,1,0,0,0,0|0,0,2]=4 265 B11R1.34 NCCC1=CC(Cl)=CC(Cl)=C1 CS16793 [1,1,0,0,0,0|0,1,0]=3 266 B11R1.34 OCCC1=CC(Cl)=CC(Cl)=C1 MC40741 [1,1,0,0,0,0|1,1,0]=4 267 B11R1.157 CC(=O)CC1=CC(Br)=CC=C1 CS22187 [1,1,0,0,0,0|0,1,1]=4 268 B11R1.157 CC(=O)NC1=CC(F)=CC=C1 MC33114 [1,1,0,0,0,0|1,0,1]=4 269 B11R1.157 CC(=O)OC1=CC(F)=CC=C1 MC40004 [1,1,0,0,0,0|1,0,1]=4 270 B11R1.157 CC(C)CC1=CC=CC(Br)=C1 MC443308 [1,1,0,0,0,0|0,1,0]=3 271 B11R1.157 CC(C)OC1=CC=CC(O)=C1 MC112598 [1,1,0,0,0,0|2,0,0]=4 272 B11R1.157 CN(C)CC1=CC=CC(O)=C1 MC425485 [1,1,0,0,0,0|1,0,0]=3 273 B11R1.157 O=C(O)CC1=CC(F)=CC=C1 MC40173 [1,1,0,0,0,0|1,0,1]=4 274 B11R1.182 CC1=C(CC#N)C=C(F)C=C1 CS19339 [1,1,0,0,0,0|0,0,2]=4 275 B11R1.182 CC1=CC(CCO)=C(C)C=C1 MC40742 [1,1,0,0,0,0|2,0,0]=4 276 B11R1.182 CCOC1=C(Br)C=CC(N)=C1 CS20424 [1,1,0,0,0,0|2,0,0]=4 277 B11R1.182 CCOC1=C(C)C=CC(N)=C1 MC111938 [1,1,0,0,0,0|2,0,0]=4 278 B11R1.182 CCOC1=C(Cl)C=CC(Br)=C1 MC41352 [1,1,0,0,0,0|1,1,0]=4 279 B11R1.182 CCOC1=C(F)C=CC(Cl)=C1 MC41354 [1,1,0,0,0,0|1,1,0]=4 280 B11R1.182 N#CCC1=C(Cl)C=CC(F)=C1 MC40761 [1,1,0,0,0,0|0,0,2]=4 281 B11R1.182 N#CCC1=C(F)C=CC(F)=C1 MC40768 [1,1,0,0,0,0|0,0,2]=4 282 B11R1.182 NCCC1=C(Cl)C=CC(Cl)=C1 MC40976 [1,1,0,0,0,0|0,1,0]=3 283 B11R1.182 OCCC1=C(Cl)C=CC(Cl)=C1 MC40740 [1,1,0,0,0,0|1,1,0]=4 284 B11R1.189 CCOC1=CC=CC(C=O)=C1 MC433437 [1,1,0,0,0,0|2,0,0]=4 285 B11R1.189 COC1=CC=CC(CCN)=C1 CS13916 [1,1,0,0,0,0|1,0,0]=3 286 B11R1.189 COC1=CC=CC(CCO)=C1 CS22342 [1,1,0,0,0,0|2,0,0]=4 287 B11R1.189 COCC1=CC=CC(C#N)=C1 CS18233 [1,1,0,0,0,0|2,0,0]=4 288 B11R1.189 COCC1=CC=CC(CN)=C1 CS15687 [1,1,0,0,0,0|2,0,0]=4 289 B11R1.189 N#CC1=CC(CCO)=CC=C1 MC431317 [1,1,0,0,0,0|2,0,0]=4 290 B11R1.189 NCC1=CC=CC(CCO)=C1 CS17053 [1,1,0,0,0,0|2,0,0]=4 291 B11R1.192 CC1=C(F)C=C(CC#N)C=C1 MC40776 [1,1,0,0,0,0|0,0,2]=4 292 B11R1.192 CCOC1=CC(Cl)=C(Br)C=C1 CS16022 [1,1,0,0,0,0|1,1,0]=4 293 B11R1.192 CCOC1=CC=C(N)C(N)=C1 MC433374 [1,1,0,0,0,0|2,0,0]=4 294 B11R1.192 CNCC1=CC(Cl)=C(Cl)C=C1 CS11711 [1,1,0,0,0,0|0,1,0]=3 295 B11R1.192 COCC1=CC(F)=C(Br)C=C1 MC33058 [1,1,0,0,0,0|1,0,0]=3 296 B11R1.192 N#CCC1=CC(F)=C(Br)C=C1 CS15044 [1,1,0,0,0,0|0,0,2]=4 297 B11R1.192 N#CCC1=CC(F)=C(Cl)C=C1 MC433126 [1,1,0,0,0,0|0,0,2]=4 298 B11R1.192 N#CCC1=CC(F)=C(F)C=C1 MC30096 [1,1,0,0,0,0|0,0,2]=4 299 B11R1.192 N#CCC1=CC(F)=C(I)C=C1 MC113672 [1,1,0,0,0,0|0,0,2]=4 300 B11R1.192 NCCC1=CC(Cl)=C(Cl)C=C1 CS21933 [1,1,0,0,0,0|0,1,0]=3 301 B11R1.192 NCCC1=CC=C(O)C(O)=C1 CS15345 [1,1,0,0,0,0|1,0,0]=3 302 B11R1.192 O=CCC1=CC(F)=C(Br)C=C1 MC430272 [1,1,0,0,0,0|1,0,1]=4 303 B11R1.192 OCCC1=CC(Cl)=C(Cl)C=C1 CS21932 [1,1,0,0,0,0|1,1,0]=4 304 B11R1.192 OCCC1=CC(F)=C(F)C=C1 MC33101 [1,1,0,0,0,0|1,0,0]=3 305 B11R1.1 CCOCC1=CC=C(O)C=C1 CS16541 [1,1,0,0,0,0|2,0,0]=4 306 B11R1.1 CNCCC1=CC=C(N)C=C1 MC40974 [1,1,0,0,0,0|0,0,0]=2 307 B11R1.1 CNCCC1=CC=C(O)C=C1 MC426074 [1,1,0,0,0,0|0,0,0]=2 308 B11R1.1 CNCCC1=NC=C(F)C=C1 MC431885 [1,1,0,0,0,0|1,0,0]=3 309 B11R1.1 COCCC1=CC=C(O)C=C1 MC445496 [1,1,0,0,0,0|1,0,0]=3 310 B11R1.1 FC1=CC=C(CCCBr)C=C1 MC113691 [1,1,0,0,0,0|2,0,0]=4 311 B11R1.16 CNCC(C)C1=CC=CC=C1 MC446681 [1,1,0,0,0,0|0,0,0]=2 312 B11R1.16 CNCC(O)C1=CC=CC=C1 MC446674 [1,1,0,0,0,0|0,0,0]=2 313 B11R1.16 NC(CCO)C1=CC=CC=C1 CS18735 [1,1,0,0,0,0|2,0,0]=4 314 B11R1.16 NC(CCO)C1=CC=CC=C1 CS21217 [1,1,0,0,0,0|2,0,0]=4 315 B11R1.16 OC(CCCl)C1=CC=CC=C1 CS10897 [1,1,0,0,0,0|2,0,0]=4 316 B11R1.16 OC(CCCl)C1=CC=CC=C1 CS22197 [1,1,0,0,0,0|2,0,0]=4 317 B11R1.16 OC(CCCl)C1=CC=CC=C1 MC20313 [1,1,0,0,0,0|2,0,0]=4 318 B11R1.17 CCCOC1=C(O)C=CC=C1 MC20673 [1,1,0,0,0,0|2,0,0]=4 319 B11R1.17 O=CCCC1=C(Cl)C=CC=C1 MC106741 [1,1,0,0,0,0|2,0,0]=4 320 B11R1.28 BrCCCOC1=CC=CC=C1 CS15031 [1,1,0,0,0,0|2,0,0]=4 321 B11R1.28 BrCCOCC1=CC=CC=C1 CS10998 [1,1,0,0,0,0|2,0,0]=4 322 B11R1.28 C=CCOCC1=CC=CC=C1 MC425090 [1,1,0,0,0,0|1,0,1]=4 323 B11R1.28 CNCCCC1=CC=CC=C1 MC425598 [1,1,0,0,0,0|0,0,0]=2 324 B11R1.28 CNCCCC1=NC=CC=C1 MC430496 [1,1,0,0,0,0|1,0,0]=3 325 B11R1.28 N#CCNCC1=CC=CC=C1 MC442440 [1,1,0,0,0,0|2,0,0]=4 326 B11R1.28 NCCOCC1=CC=CC=C1 CS20892 [1,1,0,0,0,0|2,0,0]=4 327 B11R1.28 O=CCOCC1=CC=CC=C1 MC429084 [1,1,0,0,0,0|2,0,0]=4 328 B11R1.28 OCCCCC1=CC=CC=C1 CS11170 [1,1,0,0,0,0|1,0,0]=3 329 B11R1.28 OCCCCC1=CC=NC=C1 CS13477 [1,1,0,0,0,0|2,0,0]=4 330 B11R1.28 OCCOCC1=CC=CC=C1 MC20071 [1,1,0,0,0,0|2,0,0]=4 331 B11R1.40 C#CC(O)CC1=CC=CC=C1 MC425691 [1,1,0,0,0,0|1,0,1]=4 332 B11R1.40 CCC(=O)CC1=CC=CC=C1 MC41289 [1,1,0,0,0,0|1,0,1]=4 333 B11R1.40 NC(CO)CC1=CC=CC=C1 CS21216 [1,1,0,0,0,0|2,0,0]=4 334 B11R1.40 NC(CO)CC1=CC=CC=C1 MC425862 [1,1,0,0,0,0|2,0,0]=4 335 B11R1.91 CC(=O)COC1=CC=CC=C1 MC433248 [1,1,0,0,0,0|2,0,0]=4 336 B11R1.91 CN(C)CCC1=CC=CC=C1 MC446671 [1,1,0,0,0,0|0,0,0]=2 337 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 CS20444 [1,1,0,0,0,0|1,0,1]=4 338 B13R1.147 CC(C)CC(=O)C1=CC(F)=CC=C1 MC112094 [0,2,0,0,0,0|1,0,1]=4 339 B13R1.147 CC(CC(=O)O)C1=CC(F)=CC=C1 MC112322 [0,2,0,0,0,0|2,0,0]=4 340 B13R1.147 NC(CC(=O)O)C1=CC(F)=CC=C1 MC429425 [0,2,0,0,0,0|2,0,0]=4 341 B13R1.3518 CCCOC1=C(F)C(F)=C(Br)C=C1 MC114148 [0,2,0,0,0,0|2,0,0]=4 342 B13R1.15 COC(=O)CCC1=CC(Br)=CC=C1 MC433967 [0,2,0,0,0,0|1,1,0]=4 343 B13R1.55 CCCCCC1=CC(F)=CC(F)=C1 CS12655 [0,2,0,0,0,0|1,0,0]=3 344 B13R1.55 CCCCCC1=CC(O)=CC(O)=C1 CS11819 [0,2,0,0,0,0|2,0,0]=4 345 B13R1.55 CCCCOC1=CC(F)=CC(F)=C1 MC41356 [0,2,0,0,0,0|1,0,0]=3 346 B13R1.149 CN(C)CCOC1=CC(Br)=CN=C1 MC442216 [0,2,0,0,0,0|1,1,0]=4 347 B13R1.149 O=C(O)CCOC1=CC(F)=CC=C1 MC425447 [0,2,0,0,0,0|2,0,0]=4 348 B13R1.656 COCCOC1=C(N)C=CC(Br)=C1 MC112125 [0,2,0,0,0,0|1,1,0]=4 349 B13R1.148 NC(CC1=CC(F)=CC=C1)C(=O)O MC428048 [0,2,0,0,0,0|2,0,0]=4 350 B13R1.148 NC(CC1=CC(F)=CC=C1)C(=O)O MC428051 [0,2,0,0,0,0|2,0,0]=4 351 B13R1.148 NC(CC1=CC(F)=CC=C1)C(=O)O MC428052 [0,2,0,0,0,0|2,0,0]=4 352 B13R1.2879 COC(=O)CC1=CC(F)=C(C)C=C1 CS15702 [0,2,0,0,0,0|1,0,1]=4 353 B13R1.3420 O=C(O)CCC1=CC(F)=CC(F)=C1 MC40202 [0,2,0,0,0,0|2,0,0]=4 354 B13R1.511 O=C(O)CCC1=CC(F)=C(Cl)C=C1 CS13209 [0,2,0,0,0,0|2,0,0]=4 355 B13R1.511 O=C(O)CCC1=CC(F)=C(F)C=C1 MC40201 [0,2,0,0,0,0|2,0,0]=4 356 B13R1.568 CNCCC1=CC=CC(C(=O)O)=C1 MC102783 [0,2,0,0,0,0|1,0,0]=3 357 B13R1.568 CNCCC1=CC=CC(C(=O)O)=C1 MC425112 [0,2,0,0,0,0|1,0,0]=3 358 B13R1.568 CNCCC1=CC=CC(C(=O)O)=C1 MC425113 [0,2,0,0,0,0|1,0,0]=3 359 B13R1.568 O=CCCC1=CC(C(F)F)=CC=C1 MC429865 [0,2,0,0,0,0|2,0,0]=4 360 B11R2.35 BrC1=CC(C2CC2)=CN=C1 MC442247 [1,0,0,1,0,0|1,1,0]=4 361 B11R2.35 BrC1=CC=CC(C2CO2)=C1 MC111470 [1,0,0,1,0,0|1,1,0]=4 362 B11R2.35 BrC1=NC(C2CC2)=CC=C1 MC442245 [1,0,0,1,0,0|1,1,0]=4 363 B11R2.35 ClC1=CC=CC(C2CO2)=C1 MC42002 [1,0,0,1,0,0|1,1,0]=4 364 B11R2.36 BrC1=CC2=C(C=C1)CCO2 MC441170 [1,0,0,1,0,0|1,1,0]=4 365 B11R2.36 BrC1=CC2=C(C=C1)OCC2 MC20389 [1,0,0,1,0,0|1,1,0]=4 366 B11R2.36 BrC1=CC=C2CCCC2=C1 MC443408 [1,0,0,1,0,0|0,1,0]=3 367 B11R2.36 BrC1=CC=C2CCNC2=C1 CS17623 [1,0,0,1,0,0|1,1,0]=4 368 B11R2.36 BrC1=CC=C2CNCC2=C1 CS14408 [1,0,0,1,0,0|0,1,0]=3 369 B11R2.36 BrC1=CC=C2CNCC2=C1 MC20658 [1,0,0,1,0,0|0,1,0]=3 370 B11R2.36 BrC1=CC=C2NCCC2=C1 CS10836 [1,0,0,1,0,0|0,1,0]=3 371 B11R2.36 BrC1=CN=C2CCCC2=C1 CS22164 [1,0,0,1,0,0|1,1,0]=4 372 B11R2.36 BrC1=CN=C2CNCC2=C1 MC102146 [1,0,0,1,0,0|1,1,0]=4 373 B11R2.36 BrC1=CN=C2CNCC2=C1 MC103552 [1,0,0,1,0,0|1,1,0]=4 374 B11R2.36 BrC1=CN=C2NCCC2=C1 CS18623 [1,0,0,1,0,0|1,1,0]=4 375 B11R2.36 CC1=CC=C2CCNC2=C1 MC106356 [1,0,0,1,0,0|2,0,0]=4 376 B11R2.36 CC1=CC=C2CNCC2=C1 MC431420 [1,0,0,1,0,0|1,0,0]=3 377 B11R2.36 ClC1=CC=C2CCCC2=C1 MC106098 [1,0,0,1,0,0|0,1,0]=3 378 B11R2.36 ClC1=CC=C2CCNC2=C1 CS19407 [1,0,0,1,0,0|1,1,0]=4 379 B11R2.36 ClC1=CC=C2CNCC2=C1 CS15340 [1,0,0,1,0,0|0,1,0]=3 380 B11R2.36 ClC1=CC=C2CNCC2=C1 MC441088 [1,0,0,1,0,0|0,1,0]=3 381 B11R2.36 ClC1=CC=C2NCCC2=C1 MC20079 [1,0,0,1,0,0|0,1,0]=3 382 B11R2.36 FC1=CC2=C(C=C1)CCO2 MC432264 [1,0,0,1,0,0|1,0,0]=3 383 B11R2.36 FC1=CC=C2CC=CC2=C1 MC446777 [1,0,0,1,0,0|0,0,2]=4 384 B11R2.36 FC1=CC=C2CCCC2=C1 CS16751 [1,0,0,1,0,0|0,0,0]=2 385 B11R2.36 FC1=CC=C2CCNC2=C1 MC443334 [1,0,0,1,0,0|1,0,0]=3 386 B11R2.36 FC1=CC=C2CNCC2=C1 CS15207 [1,0,0,1,0,0|0,0,0]=2 387 B11R2.36 FC1=CC=C2NC=CC2=C1 CS22058 [1,0,0,1,0,0|0,0,2]=4 388 B11R2.36 FC1=CC=C2NN=CC2=C1 CS18254 [1,0,0,1,0,0|1,0,1]=4 389 B11R2.36 IC1=CC2=C(C=C1)OCC2 MC442476 [1,0,0,1,0,0|1,1,0]=4 390 B11R2.36 NC1=CC2=C(C=C1)OCC2 MC442475 [1,0,0,1,0,0|2,0,0]=4 391 B11R2.36 NC1=CC=C2CCNC2=C1 MC425589 [1,0,0,1,0,0|2,0,0]=4 392 B11R2.36 NC1=CC=C2CNCC2=C1 MC20849 [1,0,0,1,0,0|1,0,0]=3 393 B11R2.36 NC1=CC=C2CNCC2=C1 MC442457 [1,0,0,1,0,0|1,0,0]=3 394 B11R2.36 NC1=CC=C2COCC2=C1 CS20519 [1,0,0,1,0,0|2,0,0]=4 395 B11R2.36 NC1=CN=C2CCCC2=C1 MC100354 [1,0,0,1,0,0|2,0,0]=4 396 B11R2.36 OC1=CC2=C(C=C1)CCO2 CS16031 [1,0,0,1,0,0|2,0,0]=4 397 B11R2.36 OC1=CC=C2NCCC2=C1 CS21042 [1,0,0,1,0,0|1,0,0]=3 398 B11R2.106 BrC1=C2CCCC2=CC=C1 CS16754 [1,0,0,1,0,0|0,1,0]=3 399 B11R2.106 BrC1=C2CCNC2=CC=C1 CS18513 [1,0,0,1,0,0|1,1,0]=4 400 B11R2.106 BrC1=C2CNCC2=CC=C1 CS22684 [1,0,0,1,0,0|0,1,0]=3 401 B11R2.106 BrC1=C2CNCC2=CC=C1 MC443236 [1,0,0,1,0,0|0,1,0]=3 402 B11R2.106 BrC1=CC=CC2=C1OCC2 CS12983 [1,0,0,1,0,0|1,1,0]=4 403 B11R2.106 BrC1=CN=CC2=C1NCC2 MC102119 [1,0,0,1,0,0|1,1,0]=4 404 B11R2.106 CC1=C2CCNC2=CC=C1 MC425439 [1,0,0,1,0,0|2,0,0]=4 405 B11R2.106 CC1=C2CNCC2=CC=C1 CS17946 [1,0,0,1,0,0|1,0,0]=3 406 B11R2.106 CC1=C2NCCC2=CC=C1 CS18412 [1,0,0,1,0,0|1,0,0]=3 407 B11R2.106 ClC1=C2CCCC2=NC=C1 CS12915 [1,0,0,1,0,0|1,1,0]=4 408 B11R2.106 ClC1=C2CCNC2=CC=C1 CS10845 [1,0,0,1,0,0|1,1,0]=4 409 B11R2.106 ClC1=C2CNCC2=CC=C1 CS15338 [1,0,0,1,0,0|0,1,0]=3 410 B11R2.106 FC1=C2CCNC2=CC=C1 MC433917 [1,0,0,1,0,0|1,0,0]=3 411 B11R2.106 FC1=C2CNCC2=CC=C1 MC430022 [1,0,0,1,0,0|0,0,0]=2 412 B11R2.106 FC1=C2NC=CC2=CC=C1 CS10747 [1,0,0,1,0,0|0,0,2]=4 413 B11R2.106 FC1=C2NN=CC2=CC=C1 CS10814 [1,0,0,1,0,0|1,0,1]=4 414 B11R2.106 IC1=C2CCNC2=CC=C1 MC113807 [1,0,0,1,0,0|1,1,0]=4 415 B11R2.106 NC1=C2CCCC2=NC=C1 MC115911 [1,0,0,1,0,0|2,0,0]=4 416 B11R2.106 NC1=C2CCOC2=CC=C1 CS21040 [1,0,0,1,0,0|2,0,0]=4 417 B11R2.106 NC1=CC=CC2=C1CCN2 CS11498 [1,0,0,1,0,0|2,0,0]=4 418 B11R2.106 NC1=CC=CC2=C1CNC2 MC442084 [1,0,0,1,0,0|1,0,0]=3 419 B11R2.106 OC1=CC=CC2=C1CCC2 CS22898 [1,0,0,1,0,0|1,0,0]=3 420 B11R2.1 CC1=CCC2=CC=CC=C12 MC106180 [1,0,0,1,0,0|1,0,1]=4 421 B11R2.1 CN1C=CC2=CC=CC=C21 CS11026 [1,0,0,1,0,0|0,0,2]=4 422 B11R2.1 NC1CCC2=CC=CC=C21 CS16005 [1,0,0,1,0,0|2,0,0]=4 423 B11R2.1 NC1CCC2=CC=CC=C21 CS19275 [1,0,0,1,0,0|2,0,0]=4 424 B11R2.1 NC1CCC2=CC=CC=C21 CS19803 [1,0,0,1,0,0|2,0,0]=4 425 B11R2.1 NC1CCC2=CC=CC=C21 CS20307 [1,0,0,1,0,0|2,0,0]=4 426 B11R2.1 NC1CCC2=CC=CC=C21 MC425841 [1,0,0,1,0,0|2,0,0]=4 427 B11R2.1 O=C1CCC2=CC=CC=C12 CS18668 [1,0,0,1,0,0|2,0,0]=4 428 B11R2.4 NC1CC1C2=CC=CC=C2 MC100890 [1,0,0,1,0,0|2,0,0]=4 429 B11R2.4 NC1CC1C2=CC=CC=C2 MC106461 [1,0,0,1,0,0|2,0,0]=4 430 B11R2.20 C1=CC2=C(CCCC2)N=C1 CS13407 [1,0,0,1,0,0|2,0,0]=4 431 B11R2.20 C1=CC2=C(CCNC2)N=C1 CS14841 [1,0,0,1,0,0|1,0,0]=3 432 B11R2.20 C1=CC2=C(CNCC2)N=C1 MC104317 [1,0,0,1,0,0|1,0,0]=3 433 B11R2.20 C1=CC2=C(CNCC2)N=C1 MC431486 [1,0,0,1,0,0|1,0,0]=3 434 B11R2.20 C1=CC=C2CC=CCC2=C1 CS11050 [1,0,0,1,0,0|1,0,1]=4 435 B11R2.20 C1=CC=C2CNCCC2=C1 CS19412 [1,0,0,1,0,0|0,0,0]=2 436 B11R2.20 C1=CC=C2COCCC2=C1 CS19933 [1,0,0,1,0,0|1,0,0]=3 437 B11R2.20 C1=NC=C2CCNCC2=C1 CS15863 [1,0,0,1,0,0|1,0,0]=3 438 B11R2.20 C1=NC=C2CCNCC2=C1 MC115896 [1,0,0,1,0,0|1,0,0]=3 439 B11R2.20 C1=NC=C2CNCCC2=C1 CS17812 [1,0,0,1,0,0|1,0,0]=3 440 B11R2.20 C1=NC=C2CNCCC2=C1 MC113298 [1,0,0,1,0,0|1,0,0]=3 441 B11R2.20 C1=NC=NC2=C1CCNC2 MC103871 [1,0,0,1,0,0|2,0,0]=4 442 B11R2.20 C1=NC=NC2=C1CNCC2 CS11914 [1,0,0,1,0,0|2,0,0]=4 443 B11R2.20 C1=NC=NC2=C1CNCC2 CS15273 [1,0,0,1,0,0|2,0,0]=4 444 B11R2.238 C1=CC=C(CC2CN2)C=C1 CS19482 [1,0,0,1,0,0|0,0,0]=2 445 B11R2.238 C1=CC=C(SC2CC2)C=C1 MC20576 [1,0,0,1,0,0|2,0,0]=4 446 B11R2.239 C1=CC(C2CNC2)=NC=N1 MC116097 [1,0,0,1,0,0|2,0,0]=4 447 B13R2.13 CC1=CC(C2CCCN2)=CC=C1 CS15757 [0,1,0,1,0,0|2,0,0]=4 448 B13R2.13 FC1=CC(N2CCCC2)=CN=C1 MC101196 [0,1,0,1,0,0|2,0,0]=4 449 B13R2.13 FC1=CC=CC(C2CCCN2)=C1 CS11095 [0,1,0,1,0,0|1,0,0]=3 450 B13R2.13 FC1=NC(N2CCCC2)=CC=C1 MC101161 [0,1,0,1,0,0|2,0,0]=4 451 B13R2.162 NC1CCCC2=CC=C(Br)C=C21 CS18492 [0,1,0,1,0,0|1,1,0]=4 452 B13R2.162 NC1CCOC2=CC=C(F)C=C21 CS15090 [0,1,0,1,0,0|2,0,0]=4 453 B13R2.162 NC1CCOC2=CC=C(F)C=C21 CS18833 [0,1,0,1,0,0|2,0,0]=4 454 B13R2.162 NC1COCc2ccc(Br)cc21 MC100143 [0,1,0,1,0,0|1,1,0]=4 455 B13R2.162 NC1CSCc2ccc(Br)cc21 MC100183 [0,1,0,1,0,0|1,1,0]=4 456 B13R2.162 O=C1CCC2=CC=CC(Br)=C2C1 MC425726 [0,1,0,1,0,0|1,1,0]=4 457 B13R2.162 O=C1CCC2=CC=CC(O)=C2C1 MC20770 [0,1,0,1,0,0|2,0,0]=4 458 B13R2.162 O=C1CCCC2=CC=C(F)C=C12 MC445729 [0,1,0,1,0,0|1,0,1]=4 459 B13R2.342 NC1CCOC2=C(F)C=CC=C21 CS15088 [0,1,0,1,0,0|2,0,0]=4 460 B13R2.342 NC1CCOC2=C(F)C=CC=C21 MC100203 [0,1,0,1,0,0|2,0,0]=4 461 B13R2.342 O=C1CCCC2=C(F)C=CC=C12 CS19426 [0,1,0,1,0,0|1,0,1]=4 462 B13R2.3018 CC1(C2=CC(Br)=CC=C2)COC1 MC102910 [0,1,0,1,0,0|1,1,0]=4 463 B13R2.3018 CC1=CC(C2(N)COC2)=CC=C1 MC102437 [0,1,0,1,0,0|2,0,0]=4 464 B13R2.3018 NC1(C2=CC(Br)=CC=C2)CCC1 MC115301 [0,1,0,1,0,0|1,1,0]=4 465 B13R2.3018 NC1(C2=CC(Br)=CC=C2)COC1 MC102448 [0,1,0,1,0,0|1,1,0]=4 466 B13R2.3018 NC1(C2=CC(Cl)=CC=C2)COC1 MC115762 [0,1,0,1,0,0|1,1,0]=4 467 B13R2.3018 NC1(C2=CC(F)=CC=C2)COC1 MC115774 [0,1,0,1,0,0|1,0,0]=3 468 B13R2.3018 NC1(C2=CC(I)=CC=C2)COC1 MC102476 [0,1,0,1,0,0|1,1,0]=4 469 B13R2.3018 OC1(C2=CC(Br)=CC=C2)COC1 MC102906 [0,1,0,1,0,0|1,1,0]=4 470 B13R2.5187 CC1CC(=O)C2=CC=C(F)C=C21 MC446744 [0,1,0,1,0,0|2,0,0]=4 471 B13R2.32 FC1=C2CNCCC2=CC=C1Cl MC431355 [0,1,0,1,0,0|0,0,0]=2 472 B13R2.5180 O=C1CCC2=C(Cl)C(F)=CC=C12 MC446776 [0,1,0,1,0,0|2,0,0]=4 473 B13R2.5180 O=C1CCC2=C(F)C(F)=CC=C12 CS19221 [0,1,0,1,0,0|2,0,0]=4 474 B13R2.4818 CN1CCCC2=CC=CC(O)=C21 MC104408 [0,1,0,1,0,0|1,0,0]=3 475 B13R2.4818 O=C1NCCC2=CC=CC(Br)=C12 CS17198 [0,1,0,1,0,0|0,1,1]=4 476 B13R2.5179 CC1CNCC2=CC(Br)=CC=C21 MC427152 [0,1,0,1,0,0|1,1,0]=4 477 B13R2.5179 CN1CCNC2=CC(Br)=CC=C21 CS17058 [0,1,0,1,0,0|0,1,0]=3 478 B13R2.5179 NC1=CC=C2C(=O)NCCC2=C1 MC431590 [0,1,0,1,0,0|1,0,1]=4 479 B13R2.5179 NC1CCOC2=CC(F)=CC=C21 CS15089 [0,1,0,1,0,0|2,0,0]=4 480 B13R2.5179 O=C1CCCC2=CC(F)=CC=C12 CS15679 [0,1,0,1,0,0|1,0,1]=4 481 B13R2.5179 O=C1CCOC2=CC(F)=CC=C12 CS13519 [0,1,0,1,0,0|2,0,0]=4 482 B13R2.5179 O=C1NCCC2=CC(Br)=CC=C12 CS18011 [0,1,0,1,0,0|0,1,1]=4 483 B13R2.5179 O=C1NCCC2=CC(Cl)=CC=C12 CS18170 [0,1,0,1,0,0|0,1,1]=4 484 B13R2.5179 O=C1NCCC2=CC(O)=CC=C12 CS17654 [0,1,0,1,0,0|1,0,1]=4 485 B13R2.155 NC1CCC2=CC=C(O)C=C2C1 MC444617 [0,1,0,1,0,0|2,0,0]=4 486 B13R2.5190 CC1CC2=CC(F)=CC=C2C1=O MC446699 [0,1,0,1,0,0|2,0,0]=4 487 B13R2.11642 NC1CCC2=CC(O)=CC(F)=C21 MC105698 [0,1,0,1,0,0|2,0,0]=4 488 B13R2.11642 O=C1CCC2=CC(Br)=CC(F)=C12 MC430395 [0,1,0,1,0,0|2,0,0]=4 489 B13R2.11642 O=C1CCC2=CC(F)=CC(Br)=C12 MC446764 [0,1,0,1,0,0|2,0,0]=4 490 B13R2.11642 O=C1CCC2=CC(F)=CC(Cl)=C12 MC446768 [0,1,0,1,0,0|2,0,0]=4 491 B13R2.11642 O=C1CCC2=CC(F)=CC(F)=C12 CS14529 [0,1,0,1,0,0|2,0,0]=4 492 B13R2.11642 O=C1CCC2=CC(F)=CC(O)=C12 MC446745 [0,1,0,1,0,0|2,0,0]=4 493 B13R2.11642 O=C1CCC2=CC(O)=CC(F)=C12 MC446771 [0,1,0,1,0,0|2,0,0]=4 494 B13R2.3683 CC1CNC2=C(C=CC(F)=C2)O1 MC430156 [0,1,0,1,0,0|2,0,0]=4 495 B13R2.3683 O=C1CCC2=CC(Cl)=CC=C2C1 MC445396 [0,1,0,1,0,0|1,1,0]=4 496 B13R2.3683 O=C1CCC2=CC(F)=CC=C2C1 CS11331 [0,1,0,1,0,0|1,0,0]=3 497 B13R2.3683 O=C1CCC2=CC(F)=CC=C2N1 MC441110 [0,1,0,1,0,0|2,0,0]=4 498 B13R2.3683 O=C1CCC2=CC(O)=CC=C2C1 CS10710 [0,1,0,1,0,0|2,0,0]=4 499 B13R2.5151 O=C1CCC2=C(Br)C=CC(F)=C12 CS16737 [0,1,0,1,0,0|2,0,0]=4 500 B13R2.5151 O=C1CCC2=C(Cl)C=CC(F)=C12 MC446729 [0,1,0,1,0,0|2,0,0]=4 501 B13R2.5151 O=C1CCC2=C(F)C=CC(F)=C12 MC446722 [0,1,0,1,0,0|2,0,0]=4 502 B13R2.57 COC1=CC=C2CNCCC2=C1 CS18370 [0,1,0,1,0,0|1,0,0]=3 503 B13R2.57 N#CC1=CC=C2CNCCC2=C1 CS20469 [0,1,0,1,0,0|1,0,0]=3 504 B13R2.57 N#CC1=CC=C2CNCCC2=C1 MC418386 [0,1,0,1,0,0|1,0,0]=3 505 B13R2.1613 COC1=C2CNCCC2=CC=C1 MC111163 [0,1,0,1,0,0|1,0,0]=3 506 B13R2.1613 O=CC1=CC=CC2=C1CCCC2 CS16055 [0,1,0,1,0,0|2,0,0]=4 507 B13R2.1613 OCC1=CC=CC2=C1CCCC2 CS16039 [0,1,0,1,0,0|2,0,0]=4 508 B13R2.522 NC1CC1C2=CC(F)=C(F)C=C2 MC105655 [0,1,0,1,0,0|2,0,0]=4 509 B13R2.522 NC1CC1C2=CC(F)=C(F)C=C2 MC114282 [0,1,0,1,0,0|2,0,0]=4 510 B13R2.522 NC1CC1C2=CC(F)=C(F)C=C2 MC31263 [0,1,0,1,0,0|2,0,0]=4 511 B13R2.3790 O=C1CCC2=CC=C(Br)C(F)=C12 MC446781 [0,1,0,1,0,0|2,0,0]=4 512 B13R2.3790 O=C1CCC2=CC=C(F)C(F)=C12 MC446748 [0,1,0,1,0,0|2,0,0]=4 513 B13R2.11634 CN1N=CC2=CC(F)=C(Br)C=C21 CS17148 [0,1,0,1,0,0|1,0,1]=4 514 B13R2.11634 O=C1CCC2=CC(F)=C(Br)C=C12 MC446752 [0,1,0,1,0,0|2,0,0]=4 515 B13R2.11634 O=C1CCC2=CC(F)=C(Cl)C=C12 CS17367 [0,1,0,1,0,0|2,0,0]=4 516 B13R2.11634 O=C1CCC2=CC(F)=C(F)C=C12 CS18776 [0,1,0,1,0,0|2,0,0]=4 517 B9R1.7 NCCC1=CC=C(Br)S1 MC114876 [1,0,0,0,1,0|1,1,0]=4 518 B9R1.12 CCCCC1C=CC=C1 MC114482 [1,0,0,0,1,0|1,0,1]=4