0 B11R1.16 CC(N=C=O)C1=CC=CC=C1 MC20438 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.16 CCCC(=O)C1=CC=CN=C1 MC443690 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.16 CN(CCN)C1=CC=CC=C1 CS11704 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.16 CNCC(C)C1=CC=CC=C1 MC446681 [0,0,0,0,0,0|0,0,0]=0 4 B11R1.16 CNCC(O)C1=CC=CC=C1 MC446674 [0,0,0,0,0,0|1,0,0]=1 5 B11R1.16 N#CCC(=O)C1=CC=CC=C1 CS10995 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.16 NC(CCO)C1=CC=CC=C1 CS18735 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.16 NC(CCO)C1=CC=CC=C1 CS21217 [0,0,0,0,0,0|3,0,0]=3 8 B11R1.16 O=C(CCCl)C1=CC=CC=C1 MC41279 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.16 OC(CCCl)C1=CC=CC=C1 CS10897 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.16 OC(CCCl)C1=CC=CC=C1 CS22197 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.16 OC(CCCl)C1=CC=CC=C1 MC20313 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.15 C=C(CBr)C1=CC=CC=C1 CS20091 [1,0,0,0,0,0|1,0,2]=4 13 B10R1.15 C=CC(N)C1=CC=CC=C1 MC102512 [1,0,0,0,0,0|1,0,2]=4 14 B10R1.15 CC(CN)C1=CC=CC=C1 CS10909 [1,0,0,0,0,0|0,0,0]=1 15 B10R1.15 CC(CN)c1ccccc1 MC110750 [1,0,0,0,0,0|0,0,0]=1 16 B10R1.15 CC(NO)c1ccccc1 MC103844 [1,0,0,0,0,0|1,0,0]=2 17 B10R1.15 CC(NO)c1ccccc1 MC103845 [1,0,0,0,0,0|1,0,0]=2 18 B10R1.15 CCC(C)C1=CC=CC=C1 CS11947 [1,0,0,0,0,0|0,0,0]=1 19 B10R1.15 CCC(C)C1=CC=CC=C1 MC433489 [1,0,0,0,0,0|0,0,0]=1 20 B10R1.15 CCC(N)C1=CC=CC=C1 MC20337 [1,0,0,0,0,0|1,0,0]=2 21 B10R1.15 CCC(N)C1=NC=CN=C1 MC104764 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.15 CN(C=O)C1=CC=CC=C1 CS11793 [1,0,0,0,0,0|2,0,1]=4 23 B10R1.15 COC(=O)C1=CC=CC=C1 MC40065 [1,0,0,0,0,0|2,0,1]=4 24 B10R1.15 FC(CBr)C1=CC=CC=C1 MC102769 [1,0,0,0,0,0|2,0,0]=3 25 B10R1.15 N#CC(N)C1=CC=CC=C1 MC31161 [1,0,0,0,0,0|1,0,2]=4 26 B10R1.15 NC(CO)C1=CC=CC=C1 CS10553 [1,0,0,0,0,0|2,0,0]=3 27 B10R1.15 NC(CO)C1=CC=CC=C1 CS10555 [1,0,0,0,0,0|2,0,0]=3 28 B10R1.15 NC(CO)C1=CC=CC=C1 CS15860 [1,0,0,0,0,0|2,0,0]=3 29 B10R1.15 NC(CO)C1=NC=CC=C1 MC111155 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.15 NCC(=O)C1=CC=CC=C1 CS10874 [1,0,0,0,0,0|1,0,1]=3 31 B10R1.15 NCC(=O)C1=NC=CC=C1 MC33498 [1,0,0,0,0,0|2,0,1]=4 32 B10R1.15 NCC(O)C1=CC=CC=C1 CS20485 [1,0,0,0,0,0|1,0,0]=2 33 B10R1.15 NCC(O)C1=CC=CC=C1 MC444625 [1,0,0,0,0,0|1,0,0]=2 34 B10R1.15 NCC(O)C1=CC=CN=C1 MC103058 [1,0,0,0,0,0|2,0,0]=3 35 B10R1.15 NCC(O)C1=NC=CC=C1 MC33503 [1,0,0,0,0,0|2,0,0]=3 36 B10R1.15 NNC(=O)C1=CC=CC=C1 CS10971 [1,0,0,0,0,0|2,0,1]=4 37 B10R1.15 O=C(CBr)C1=CC=CC=C1 CS19274 [1,0,0,0,0,0|2,0,1]=4 38 B10R1.15 O=C(CCl)C1=CC=CC=C1 MC20159 [1,0,0,0,0,0|2,0,1]=4 39 B10R1.15 O=C(CI)C1=CC=CC=C1 MC433244 [1,0,0,0,0,0|2,0,1]=4 40 B10R1.15 OC(CBr)C1=CC=CC=C1 CS18840 [1,0,0,0,0,0|2,0,0]=3 41 B10R1.15 OC(CCl)C1=CC=CN=C1 MC103059 [1,0,0,0,0,0|3,0,0]=4 42 B10R1.15 OCC(F)C1=CC=CC=C1 MC430923 [1,0,0,0,0,0|2,0,0]=3 43 B10R1.17 BrCCOC1=CC=CC=C1 MC20150 [1,0,0,0,0,0|3,0,0]=4 44 B10R1.17 Br[Zn]CCc1ccccc1 MC121341 [1,0,0,0,0,0|2,0,0]=3 45 B10R1.17 CNCCC1=CC=CC=C1 MC446670 [1,0,0,0,0,0|0,0,0]=1 46 B10R1.17 ClCCOC1=CC=CC=C1 MC33174 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.17 NCCCC1=CC=NC=C1 MC425564 [1,0,0,0,0,0|3,0,0]=4 48 B10R1.17 NCCOC1=CC=CC=C1 CS20484 [1,0,0,0,0,0|3,0,0]=4 49 B10R1.17 NOCCC1=CC=NC=C1 MC427573 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.17 OCCCC1=CC=NC=C1 CS22019 [1,0,0,0,0,0|3,0,0]=4 51 B10R1.17 OCCOC1=CC=CC=C1 MC41398 [1,0,0,0,0,0|3,0,0]=4 52 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 CS11969 [0,1,0,0,0,0|1,0,0]=2 53 B12R1.16 NC(CCO)C1=CC=C(Cl)C=C1 CS14753 [0,1,0,0,0,0|3,0,0]=4 54 B12R1.16 NC(CCO)C1=CC=C(F)C=C1 CS19558 [0,1,0,0,0,0|3,0,0]=4 55 B12R1.16 NC(CCO)C1=CC=C(F)C=C1 MC106616 [0,1,0,0,0,0|3,0,0]=4 56 B12R1.17 NC(CCO)C1=CC(Cl)=CC=C1 CS19263 [0,1,0,0,0,0|3,0,0]=4 57 B12R1.30 CCCOC(=O)C1=CC=CC=C1 CS11887 [0,1,0,0,0,0|2,0,1]=4 58 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 CS13901 [0,1,0,0,0,0|2,0,1]=4 59 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 CS21181 [0,1,0,0,0,0|2,0,1]=4 60 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 CS18861 [0,1,0,0,0,0|2,0,1]=4 61 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 CS21098 [0,1,0,0,0,0|2,0,1]=4 62 B12R1.34 NC(CO)C(O)C1=CC=CC=C1 MC20366 [0,1,0,0,0,0|3,0,0]=4 63 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CS20784 [0,1,0,0,0,0|2,0,1]=4 64 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 MC42229 [0,1,0,0,0,0|3,0,0]=4 65 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 MC428246 [0,1,0,0,0,0|3,0,0]=4 66 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 CS22312 [0,1,0,0,0,0|3,0,0]=4 67 B12R1.308 CCCC(=O)C1=C(N)C=CC=C1 MC430441 [0,1,0,0,0,0|2,0,1]=4 68 B12R2.2 C1=CC(C2CCCN2)=CC=N1 MC425217 [0,0,0,1,0,0|3,0,0]=4 69 B12R2.2 C1=CC(C2CCNC2)=NC=N1 MC430224 [0,0,0,1,0,0|2,0,0]=3 70 B12R2.2 C1=CC(N2CCCC2)=CC=N1 CS14007 [0,0,0,1,0,0|3,0,0]=4 71 B12R2.2 C1=CC=C(C2CCCN2)C=C1 CS11140 [0,0,0,1,0,0|2,0,0]=3 72 B12R2.2 C1=CC=C(C2CCCN2)C=C1 CS17953 [0,0,0,1,0,0|2,0,0]=3 73 B12R2.2 C1=CC=C(C2CCCN2)C=C1 MC105777 [0,0,0,1,0,0|2,0,0]=3 74 B12R2.2 C1=CC=C(C2CCNC2)C=C1 MC106676 [0,0,0,1,0,0|0,0,0]=1 75 B12R2.2 C1=CN=CC(C2CCCN2)=C1 CS21193 [0,0,0,1,0,0|3,0,0]=4 76 B12R2.2 C1=CN=CC(C2CCNC2)=C1 MC106144 [0,0,0,1,0,0|1,0,0]=2 77 B12R2.22 NC1CC(C2=CC=CC=C2)C1 MC103854 [0,0,0,1,0,0|2,0,0]=3 78 B12R2.22 NC1CC(C2=CC=CC=C2)C1 MC103855 [0,0,0,1,0,0|2,0,0]=3 79 B12R2.22 NC1CC(C2=CC=CC=C2)C1 MC105059 [0,0,0,1,0,0|2,0,0]=3 80 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 MC105058 [0,0,0,1,0,0|2,0,0]=3 81 B12R2.116 NC1(C2=CC=CC=C2)CCC1 CS20790 [0,0,0,1,0,0|2,0,0]=3 82 B12R2.116 NC1(C2=CC=CC=C2)COC1 MC115717 [0,0,0,1,0,0|2,0,0]=3 83 B12R2.1081 CC1CCNC2=CC=CC=C21 CS17518 [0,0,0,1,0,0|2,0,0]=3 84 B12R2.1081 CC1CNCC2=CC=CC=C21 CS17240 [0,0,0,1,0,0|0,0,0]=1 85 B12R2.1081 CC1NCCC2=CC=CC=C21 CS12178 [0,0,0,1,0,0|2,0,0]=3 86 B12R2.1081 CC1NCCC2=CC=CC=C21 CS15270 [0,0,0,1,0,0|2,0,0]=3 87 B12R2.1081 CN1CCNC2=CC=CC=C21 CS19012 [0,0,0,1,0,0|3,0,0]=4 88 B12R2.1081 NC1CCCC2=C1C=CC=N2 MC103512 [0,0,0,1,0,0|3,0,0]=4 89 B12R2.1081 NC1CCCC2=C1N=CC=C2 CS18224 [0,0,0,1,0,0|3,0,0]=4 90 B12R2.1081 NC1CCCC2=CC=CC=C21 CS13980 [0,0,0,1,0,0|2,0,0]=3 91 B12R2.1081 NC1CCOC2=CC=CC=C21 CS18355 [0,0,0,1,0,0|3,0,0]=4 92 B12R2.1081 NC1COCC2=CC=CC=C21 MC100130 [0,0,0,1,0,0|2,0,0]=3 93 B12R2.1081 O=C1CCCC2=CC=CC=C12 CS14809 [0,0,0,1,0,0|2,0,1]=4 94 B12R2.1081 O=C1COCC2=C1C=CC=C2 MC41773 [0,0,0,1,0,0|2,0,1]=4 95 B12R2.1081 OC1CCCC2=C1N=CC=C2 CS18737 [0,0,0,1,0,0|3,0,0]=4 96 B12R2.1081 OC1CNCC2=CC=CC=C21 MC111757 [0,0,0,1,0,0|1,0,0]=2 97 B12R2.2028 CN1C=C(Br)C2=CC=CC=C21 MC441090 [0,0,0,1,0,0|1,0,2]=4 98 B12R2.2028 O=C1CC(Br)C2=CC=CC=C12 CS22129 [0,0,0,1,0,0|3,0,0]=4 99 B12R1.32 CN(CCO)CC1=CC=CC=C1 CS11755 [0,0,0,0,0,1|3,0,0]=4 100 B9R1.6 CC(=O)C1=CC=CC=C1 MC41221 [2,0,0,0,0,0|1,0,1]=4 101 B9R1.6 CC(Br)C1=CC=CC=C1 MC40570 [2,0,0,0,0,0|1,0,0]=3 102 B9R1.6 CC(C)C1=NC=CC=C1 CS21621 [2,0,0,0,0,0|1,0,0]=3 103 B9R1.6 CC(N)C1=CC=CC=C1 CS10551 [2,0,0,0,0,0|0,0,0]=2 104 B9R1.6 CC(N)C1=CC=CC=C1 MC20344 [2,0,0,0,0,0|0,0,0]=2 105 B9R1.6 CC(N)C1=CN=CN=C1 MC102354 [2,0,0,0,0,0|2,0,0]=4 106 B9R1.6 CC(N)C1=CN=CN=C1 MC104062 [2,0,0,0,0,0|2,0,0]=4 107 B9R1.6 CC(N)C1=CN=CN=C1 MC105298 [2,0,0,0,0,0|2,0,0]=4 108 B9R1.6 CC(N)C1=CN=NC=C1 MC103837 [2,0,0,0,0,0|2,0,0]=4 109 B9R1.6 CC(N)C1=NC=CC=C1 CS15370 [2,0,0,0,0,0|1,0,0]=3 110 B9R1.6 CC(N)C1=NC=CC=C1 CS20271 [2,0,0,0,0,0|1,0,0]=3 111 B9R1.6 CC(N)C1=NC=CC=N1 MC431305 [2,0,0,0,0,0|2,0,0]=4 112 B9R1.6 CC(N)C1=NC=CN=C1 CS12997 [2,0,0,0,0,0|2,0,0]=4 113 B9R1.6 CC(N)C1=NC=NC=C1 MC103926 [2,0,0,0,0,0|2,0,0]=4 114 B9R1.6 CC(O)C1=CC=CC=C1 MC20383 [2,0,0,0,0,0|1,0,0]=3 115 B9R1.6 CC(O)C1=NC=CC=C1 CS20801 [2,0,0,0,0,0|2,0,0]=4 116 B9R1.6 CC(O)C1=NC=CC=C1 MC20310 [2,0,0,0,0,0|2,0,0]=4 117 B9R1.6 CN(C)C1=CC=CC=C1 MC40906 [2,0,0,0,0,0|1,0,0]=3 118 B9R1.6 CN(C)C1=CC=NC=C1 CS13386 [2,0,0,0,0,0|2,0,0]=4 119 B9R1.6 C[PH](=O)C1=CC=CC=C1 CS16386 [2,0,0,0,0,0|2,0,0]=4 120 B9R1.6 ClC(Cl)C1=CC=CC=C1 MC40608 [2,0,0,0,0,0|2,0,0]=4 121 B9R1.6 FC(F)C1=CC=CC=C1 MC41442 [2,0,0,0,0,0|2,0,0]=4 122 B9R1.6 N=C(N)C1=CC=CC=C1 CS14830 [2,0,0,0,0,0|1,0,1]=4 123 B9R1.6 NC(=O)C1=CC=CC=C1 CS10962 [2,0,0,0,0,0|1,0,1]=4 124 B9R1.6 NC(=S)C1=CC=CC=C1 MC20863 [2,0,0,0,0,0|1,0,1]=4 125 B9R1.8 BrCCC1=CC=CC=C1 MC40571 [2,0,0,0,0,0|1,0,0]=3 126 B9R1.8 Br[Zn]Cc1ccccc1 MC121333 [2,0,0,0,0,0|2,0,0]=4 127 B9R1.8 CCCC1=CC=CN=C1 CS22402 [2,0,0,0,0,0|1,0,0]=3 128 B9R1.8 CCNC1=CC=CC=C1 MC40913 [2,0,0,0,0,0|1,0,0]=3 129 B9R1.8 CCOC1=NC=CC=C1 CS18732 [2,0,0,0,0,0|2,0,0]=4 130 B9R1.8 CNCC1=CC=CC=C1 MC10559 [2,0,0,0,0,0|0,0,0]=2 131 B9R1.8 CNCC1=CC=CC=C1 MC20323 [2,0,0,0,0,0|0,0,0]=2 132 B9R1.8 CNCC1=CC=CC=C1 MC21006 [2,0,0,0,0,0|0,0,0]=2 133 B9R1.8 CNCC1=CC=CN=C1 CS18846 [2,0,0,0,0,0|1,0,0]=3 134 B9R1.8 CNCC1=CN=CN=C1 MC103834 [2,0,0,0,0,0|2,0,0]=4 135 B9R1.8 COCC1=NC=CC=C1 CS20909 [2,0,0,0,0,0|2,0,0]=4 136 B9R1.8 ClCCC1=CC=CC=C1 MC40609 [2,0,0,0,0,0|1,0,0]=3 137 B9R1.8 ClCCC1=CC=NC=C1 CS17913 [2,0,0,0,0,0|2,0,0]=4 138 B9R1.8 FCCC1=CC=CC=C1 MC41557 [2,0,0,0,0,0|1,0,0]=3 139 B9R1.8 NCCC1=CC=CC=C1 MC40983 [2,0,0,0,0,0|0,0,0]=2 140 B9R1.8 NCCC1=CC=CN=C1 CS21892 [2,0,0,0,0,0|1,0,0]=3 141 B9R1.8 NCCC1=NC=CC=C1 CS14064 [2,0,0,0,0,0|1,0,0]=3 142 B9R1.8 NCCC1=NC=NC=C1 MC104796 [2,0,0,0,0,0|2,0,0]=4 143 B9R1.8 NNCC1=CC=CC=C1 CS11006 [2,0,0,0,0,0|1,0,0]=3 144 B9R1.8 NNCC1=CC=CC=C1 CS12127 [2,0,0,0,0,0|1,0,0]=3 145 B9R1.8 NNCC1=CC=CN=C1 MC111189 [2,0,0,0,0,0|2,0,0]=4 146 B9R1.8 NNCC1=CC=CN=C1 MC111240 [2,0,0,0,0,0|2,0,0]=4 147 B9R1.8 NNCC1=CC=NC=C1 MC111241 [2,0,0,0,0,0|2,0,0]=4 148 B9R1.8 NNCC1=NC=CC=C1 MC111239 [2,0,0,0,0,0|2,0,0]=4 149 B9R1.8 NOCC1=CC=CC=C1 CS14063 [2,0,0,0,0,0|1,0,0]=3 150 B9R1.8 OCCC1=CC=CC=C1 MC40745 [2,0,0,0,0,0|1,0,0]=3 151 B9R1.8 ONCC1=CC=CC=C1 CS11753 [2,0,0,0,0,0|1,0,0]=3 152 B11R1.7 C#CC(C)(O)C1=CC=CC=C1 MC425780 [1,1,0,0,0,0|0,0,2]=4 153 B11R1.7 CC(Br)(CBr)C1=CC=NC=C1 MC111871 [1,1,0,0,0,0|2,0,0]=4 154 B11R1.7 FC(F)(CBr)C1=CC=CC=C1 MC106429 [1,1,0,0,0,0|2,0,0]=4 155 B11R1.7 NCC(F)(F)C1=NC=CC=C1 MC104009 [1,1,0,0,0,0|2,0,0]=4 156 B11R1.7 OCC(F)(F)C1=CC=CC=C1 MC430789 [1,1,0,0,0,0|2,0,0]=4 157 B11R1.12 CCB(CC)C1=CC=CN=C1 MC10329 [1,1,0,0,0,0|2,0,0]=4 158 B11R1.12 CCP(CC)c1ccccc1 MC444851 [1,1,0,0,0,0|1,0,0]=3 159 B11R1.12 CNC(CO)C1=CC=CC=C1 CS17955 [1,1,0,0,0,0|0,0,0]=2 160 B11R1.12 COC(OC)c1ccccc1 CS10959 [1,1,0,0,0,0|1,0,0]=3 161 B11R1.12 COP(OC)C1=CC=CC=C1 MC444856 [1,1,0,0,0,0|2,0,0]=4 162 B11R1.12 NCC(CO)C1=CC=CC=C1 MC105854 [1,1,0,0,0,0|0,0,0]=2 163 B11R1.12 NCC(CO)C1=CC=CC=C1 MC105855 [1,1,0,0,0,0|0,0,0]=2 164 B11R1.12 OCC(CO)C1=CC=CC=C1 CS21198 [1,1,0,0,0,0|1,0,0]=3 165 B11R1.22 CC(C#N)C1=CC=C(Br)C=C1 MC427374 [1,1,0,0,0,0|0,0,2]=4 166 B11R1.22 CC(CN)C1=CC=C(Br)C=C1 MC103018 [1,1,0,0,0,0|0,0,0]=2 167 B11R1.22 CC(CN)C1=CC=C(Br)C=C1 MC427281 [1,1,0,0,0,0|0,0,0]=2 168 B11R1.22 CC(CN)C1=CC=C(O)C=C1 MC116255 [1,1,0,0,0,0|0,0,0]=2 169 B11R1.22 CC(NN)C1=CC=C(Cl)C=C1 MC110625 [1,1,0,0,0,0|1,0,0]=3 170 B11R1.22 CCC(=O)C1=CC=C(Br)C=C1 CS22698 [1,1,0,0,0,0|1,0,1]=4 171 B11R1.22 CCC(=O)C1=CC=C(Cl)C=C1 CS22795 [1,1,0,0,0,0|1,0,1]=4 172 B11R1.22 CCC(=O)C1=CC=C(F)C=C1 CS22846 [1,1,0,0,0,0|1,0,1]=4 173 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 CS15690 [1,1,0,0,0,0|1,0,1]=4 174 B11R1.22 CCC(C)C1=CC=C(Br)C=C1 CS18281 [1,1,0,0,0,0|0,0,0]=2 175 B11R1.22 FC1=CC=C(C(Br)CBr)C=C1 MC430994 [1,1,0,0,0,0|2,0,0]=4 176 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 CS10839 [1,1,0,0,0,0|1,0,1]=4 177 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 CS20894 [1,1,0,0,0,0|1,0,1]=4 178 B11R1.22 NCC(O)C1=CC=C(Cl)C=C1 MC431262 [1,1,0,0,0,0|1,0,0]=3 179 B11R1.22 OCC(O)C1=CC=C(Br)C=C1 MC442284 [1,1,0,0,0,0|2,0,0]=4 180 B11R1.23 CCC(=O)C1=CC(Br)=CC=C1 MC41278 [1,1,0,0,0,0|1,0,1]=4 181 B11R1.23 CCC(=O)C1=CC(Cl)=CC=C1 MC41280 [1,1,0,0,0,0|1,0,1]=4 182 B11R1.23 CCC(=O)C1=CC(F)=CC=C1 MC41284 [1,1,0,0,0,0|1,0,1]=4 183 B11R1.23 CCC(=O)C1=CC(N)=CC=C1 MC433258 [1,1,0,0,0,0|1,0,1]=4 184 B11R1.23 CCC(N)C1=CC(Br)=CN=C1 MC112156 [1,1,0,0,0,0|2,0,0]=4 185 B11R1.23 NC(CO)C1=CC(I)=CC=C1 MC103511 [1,1,0,0,0,0|2,0,0]=4 186 B11R1.23 NCC(O)C1=CC(Br)=CC=C1 MC111476 [1,1,0,0,0,0|1,0,0]=3 187 B11R1.23 OC(CBr)C1=CC(Br)=CC=C1 MC111475 [1,1,0,0,0,0|2,0,0]=4 188 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 MC443670 [1,1,0,0,0,0|1,0,1]=4 189 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 CS10890 [1,1,0,0,0,0|1,0,1]=4 190 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 CS14544 [1,1,0,0,0,0|1,0,1]=4 191 B11R1.36 CN(C(N)=S)C1=CC=CC=C1 MC427369 [1,1,0,0,0,0|1,0,1]=4 192 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 CS15488 [1,1,0,0,0,0|1,0,1]=4 193 B11R1.36 NC(=O)C(N)c1ccccc1 MC438104 [1,1,0,0,0,0|1,0,1]=4 194 B11R1.222 CC(CO)C1=C(Cl)C=CC=C1 MC111290 [1,1,0,0,0,0|1,0,0]=3 195 B11R1.222 CCC(=O)C1=C(Cl)C=CC=C1 CS15813 [1,1,0,0,0,0|1,0,1]=4 196 B11R1.222 CCC(=O)C1=C(N)C=CC=C1 MC430440 [1,1,0,0,0,0|1,0,1]=4 197 B11R1.222 CCC(C)C1=C(N)C=CC=C1 CS21765 [1,1,0,0,0,0|0,0,0]=2 198 B11R1.222 CCC(N)C1=C(C)C=CC=C1 CS14530 [1,1,0,0,0,0|1,0,0]=3 199 B11R1.222 CNC(=O)C1=C(N)C=CC=C1 CS20442 [1,1,0,0,0,0|1,0,1]=4 200 B11R1.222 CNC(=O)C1=C(S)C=CC=C1 MC42220 [1,1,0,0,0,0|1,0,1]=4 201 B11R1.222 NCC(=O)C1=C(F)C=CC=C1 CS15388 [1,1,0,0,0,0|1,0,1]=4 202 B11R1.222 NCC(O)C1=C(F)C=CC=C1 MC431432 [1,1,0,0,0,0|1,0,0]=3 203 B11R1.222 NCC(O)C1=C(I)C=CC=C1 CS17962 [1,1,0,0,0,0|1,0,0]=3 204 B11R1.1 CCOCC1=CC=C(O)C=C1 CS16541 [1,1,0,0,0,0|2,0,0]=4 205 B11R1.1 CNCCC1=CC=C(N)C=C1 MC40974 [1,1,0,0,0,0|0,0,0]=2 206 B11R1.1 CNCCC1=CC=C(O)C=C1 MC426074 [1,1,0,0,0,0|0,0,0]=2 207 B11R1.1 CNCCC1=NC=C(F)C=C1 MC431885 [1,1,0,0,0,0|1,0,0]=3 208 B11R1.1 COCCC1=CC=C(O)C=C1 MC445496 [1,1,0,0,0,0|1,0,0]=3 209 B11R1.1 FC1=CC=C(CCCBr)C=C1 MC113691 [1,1,0,0,0,0|2,0,0]=4 210 B11R1.17 CCCOC1=C(O)C=CC=C1 MC20673 [1,1,0,0,0,0|2,0,0]=4 211 B11R1.17 O=CCCC1=C(Cl)C=CC=C1 MC106741 [1,1,0,0,0,0|2,0,0]=4 212 B11R1.28 BrCCCOC1=CC=CC=C1 CS15031 [1,1,0,0,0,0|2,0,0]=4 213 B11R1.28 BrCCOCC1=CC=CC=C1 CS10998 [1,1,0,0,0,0|2,0,0]=4 214 B11R1.28 C=CCOCC1=CC=CC=C1 MC425090 [1,1,0,0,0,0|1,0,1]=4 215 B11R1.28 CNCCCC1=CC=CC=C1 MC425598 [1,1,0,0,0,0|0,0,0]=2 216 B11R1.28 CNCCCC1=NC=CC=C1 MC430496 [1,1,0,0,0,0|1,0,0]=3 217 B11R1.28 N#CCNCC1=CC=CC=C1 MC442440 [1,1,0,0,0,0|2,0,0]=4 218 B11R1.28 NCCOCC1=CC=CC=C1 CS20892 [1,1,0,0,0,0|2,0,0]=4 219 B11R1.28 O=CCOCC1=CC=CC=C1 MC429084 [1,1,0,0,0,0|2,0,0]=4 220 B11R1.28 OCCCCC1=CC=CC=C1 CS11170 [1,1,0,0,0,0|1,0,0]=3 221 B11R1.28 OCCCCC1=CC=NC=C1 CS13477 [1,1,0,0,0,0|2,0,0]=4 222 B11R1.28 OCCOCC1=CC=CC=C1 MC20071 [1,1,0,0,0,0|2,0,0]=4 223 B11R1.40 C#CC(O)CC1=CC=CC=C1 MC425691 [1,1,0,0,0,0|1,0,1]=4 224 B11R1.40 CCC(=O)CC1=CC=CC=C1 MC41289 [1,1,0,0,0,0|1,0,1]=4 225 B11R1.40 NC(CO)CC1=CC=CC=C1 CS21216 [1,1,0,0,0,0|2,0,0]=4 226 B11R1.40 NC(CO)CC1=CC=CC=C1 MC425862 [1,1,0,0,0,0|2,0,0]=4 227 B11R1.91 CC(=O)COC1=CC=CC=C1 MC433248 [1,1,0,0,0,0|2,0,0]=4 228 B11R1.91 CN(C)CCC1=CC=CC=C1 MC446671 [1,1,0,0,0,0|0,0,0]=2 229 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 CS20444 [1,1,0,0,0,0|1,0,1]=4 230 B11R1.29 CNCCC(O)C1=CC=CS1 CS20305 [0,1,0,0,1,0|2,0,0]=4 231 B11R1.29 CNCCC(O)C1=CC=CS1 MC445533 [0,1,0,0,1,0|2,0,0]=4 232 B13R1.405 CN(C)C(CCO)C1=CC=CC=C1 CS20349 [0,2,0,0,0,0|2,0,0]=4 233 B13R1.713 CC(=O)NC(CO)c1ccccc1 MC436100 [0,2,0,0,0,0|2,0,0]=4 234 B13R1.21 CNC(C)C(=O)C1=CC=C(C)C=C1 MC426128 [0,2,0,0,0,0|1,0,1]=4 235 B13R1.21 COC(=O)C(C)C1=CC=C(N)C=C1 MC442718 [0,2,0,0,0,0|1,0,1]=4 236 B13R1.132 CC(CN(C)C)C1=CC=C(Br)C=C1 MC41972 [0,2,0,0,0,0|0,0,0]=2 237 B13R1.22 COC(=O)C(C)C1=CC(N)=CC=C1 MC102243 [0,2,0,0,0,0|1,0,1]=4 238 B13R1.147 CC(CC(=O)O)C1=CC(F)=CC=C1 MC112322 [0,2,0,0,0,0|2,0,0]=4 239 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 MC42230 [0,2,0,0,0,0|2,0,0]=4 240 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 MC42231 [0,2,0,0,0,0|2,0,0]=4 241 B13R1.24 C=CCCNC(C)C1=CC=CC=C1 MC446663 [0,2,0,0,0,0|1,0,1]=4 242 B13R1.24 CCCNCC(O)C1=CC=CN=C1 MC33475 [0,2,0,0,0,0|2,0,0]=4 243 B13R1.45 CN(C)CCC(=O)C1=CC=CC=C1 MC31215 [0,2,0,0,0,0|1,0,1]=4 244 B11R2.1 CC1=CCC2=CC=CC=C12 MC106180 [1,0,0,1,0,0|0,0,2]=4 245 B11R2.1 CC1=CNC2=CC=CC=C12 CS11030 [1,0,0,1,0,0|0,0,2]=4 246 B11R2.1 CC1=NNC2=CC=CC=C21 CS17372 [1,0,0,1,0,0|1,0,1]=4 247 B11R2.1 NC1CCC2=CC=CC=C21 CS16005 [1,0,0,1,0,0|1,0,0]=3 248 B11R2.1 NC1CCC2=CC=CC=C21 CS19275 [1,0,0,1,0,0|1,0,0]=3 249 B11R2.1 NC1CCC2=CC=CC=C21 CS19803 [1,0,0,1,0,0|1,0,0]=3 250 B11R2.1 NC1CCC2=CC=CC=C21 CS20307 [1,0,0,1,0,0|1,0,0]=3 251 B11R2.1 NC1CCC2=CC=CC=C21 MC425841 [1,0,0,1,0,0|1,0,0]=3 252 B11R2.1 O=C1CCC2=CC=CC=C12 CS18668 [1,0,0,1,0,0|1,0,1]=4 253 B11R2.1 O=C1NCC2=CC=CC=C12 CS11515 [1,0,0,1,0,0|1,0,1]=4 254 B11R2.1 OC1CCC2=CC=CN=C21 CS10573 [1,0,0,1,0,0|2,0,0]=4 255 B11R2.4 NC1CC1C2=CC=CC=C2 MC100890 [1,0,0,1,0,0|0,0,0]=2 256 B11R2.4 NC1CC1C2=CC=CC=C2 MC106461 [1,0,0,1,0,0|0,0,0]=2 257 B11R2.40 BrC1(C2=NC=CC=C2)CC1 MC431657 [1,0,0,1,0,0|2,0,0]=4 258 B11R2.40 NC1(C2=CC=CC=C2)CC1 MC425296 [1,0,0,1,0,0|1,0,0]=3 259 B11R2.40 NC1(C2=NC=CC=C2)CC1 MC115574 [1,0,0,1,0,0|2,0,0]=4 260 B11R2.239 C1=CC(C2CNC2)=NC=N1 MC116097 [1,0,0,1,0,0|2,0,0]=4 261 B11R2.20 C1=CC2=C(CCCC2)N=C1 CS13407 [1,0,0,1,0,0|2,0,0]=4 262 B11R2.20 C1=CC2=C(CCNC2)N=C1 CS14841 [1,0,0,1,0,0|1,0,0]=3 263 B11R2.20 C1=CC2=C(CNCC2)N=C1 MC104317 [1,0,0,1,0,0|1,0,0]=3 264 B11R2.20 C1=CC2=C(CNCC2)N=C1 MC431486 [1,0,0,1,0,0|1,0,0]=3 265 B11R2.20 C1=CC=C2CC=CCC2=C1 CS11050 [1,0,0,1,0,0|1,0,1]=4 266 B11R2.20 C1=CC=C2CNCCC2=C1 CS19412 [1,0,0,1,0,0|0,0,0]=2 267 B11R2.20 C1=CC=C2COCCC2=C1 CS19933 [1,0,0,1,0,0|1,0,0]=3 268 B11R2.20 C1=NC=C2CCNCC2=C1 CS15863 [1,0,0,1,0,0|1,0,0]=3 269 B11R2.20 C1=NC=C2CCNCC2=C1 MC115896 [1,0,0,1,0,0|1,0,0]=3 270 B11R2.20 C1=NC=C2CNCCC2=C1 CS17812 [1,0,0,1,0,0|1,0,0]=3 271 B11R2.20 C1=NC=C2CNCCC2=C1 MC113298 [1,0,0,1,0,0|1,0,0]=3 272 B11R2.20 C1=NC=NC2=C1CCNC2 MC103871 [1,0,0,1,0,0|2,0,0]=4 273 B11R2.20 C1=NC=NC2=C1CNCC2 CS11914 [1,0,0,1,0,0|2,0,0]=4 274 B11R2.20 C1=NC=NC2=C1CNCC2 CS15273 [1,0,0,1,0,0|2,0,0]=4 275 B11R2.238 C1=CC=C(CC2CN2)C=C1 CS19482 [1,0,0,1,0,0|0,0,0]=2 276 B11R2.238 C1=CC=C(SC2CC2)C=C1 MC20576 [1,0,0,1,0,0|2,0,0]=4 277 B13R2.15 OC1CNCC1C2=CC=CC=C2 MC101965 [0,0,0,1,0,1|1,0,0]=3 278 B13R2.26 CNCC1=NC2=C(C=CC=C2)O1 CS17984 [0,0,0,1,0,1|1,0,1]=4 279 B13R2.64 C1=CC=C(CN2CCCC2)C=C1 MC33310 [0,0,0,1,0,1|2,0,0]=4 280 B13R2.64 C1=CN=C(OC2CCNC2)C=C1 MC106938 [0,0,0,1,0,1|1,0,0]=3 281 B13R2.64 C1=CN=CC(OC2CCNC2)=C1 MC431348 [0,0,0,1,0,1|1,0,0]=3 282 B13R2.221 NC1(CC2=CC=CC=C2)COC1 MC103534 [0,0,0,1,0,1|2,0,0]=4 283 B13R2.328 CN1CC(=O)NC2=CC=CC=C21 MC107481 [0,0,0,1,0,1|1,0,1]=4 284 B13R2.328 NC1CC2=CC=CC=C2N(O)C1 MC31043 [0,0,0,1,0,1|2,0,0]=4 285 B13R2.3 C1=CC(N2CCNCC2)=CC=N1 CS17786 [0,1,0,1,0,0|2,0,0]=4 286 B13R2.3 C1=CC=C(C2=CCOCC2)C=C1 MC113029 [0,1,0,1,0,0|1,0,1]=4 287 B13R2.3 C1=CC=C(C2CCCCC2)C=C1 CS19345 [0,1,0,1,0,0|1,0,0]=3 288 B13R2.3 C1=CC=C(C2CCCNC2)C=C1 MC105744 [0,1,0,1,0,0|0,0,0]=2 289 B13R2.3 C1=CC=C(C2CCNCC2)C=C1 CS19654 [0,1,0,1,0,0|0,0,0]=2 290 B13R2.3 C1=CC=C(C2CNCCN2)C=C1 MC104288 [0,1,0,1,0,0|0,0,0]=2 291 B13R2.3 C1=CC=C(C2CNCCN2)C=C1 MC105373 [0,1,0,1,0,0|0,0,0]=2 292 B13R2.3 C1=CC=C(C2COCCN2)C=C1 MC104251 [0,1,0,1,0,0|1,0,0]=3 293 B13R2.3 C1=CC=C(C2COCCN2)C=C1 MC107844 [0,1,0,1,0,0|1,0,0]=3 294 B13R2.3 C1=CC=C(N2CCNCC2)C=C1 CS11163 [0,1,0,1,0,0|1,0,0]=3 295 B13R2.3 C1=CC=C(N2CCOCC2)C=C1 CS16282 [0,1,0,1,0,0|2,0,0]=4 296 B13R2.3 C1=CN=C(C2CCCCN2)C=C1 MC111154 [0,1,0,1,0,0|2,0,0]=4 297 B13R2.3 C1=CN=C(C2CCNCC2)C=C1 MC443762 [0,1,0,1,0,0|1,0,0]=3 298 B13R2.3 C1=CN=C(C2CCNCC2)N=C1 CS15380 [0,1,0,1,0,0|2,0,0]=4 299 B13R2.3 C1=CN=C(C2CNCCO2)C=C1 MC121310 [0,1,0,1,0,0|1,0,0]=3 300 B13R2.3 C1=CN=C(N2CCNCC2)C=C1 MC31125 [0,1,0,1,0,0|2,0,0]=4 301 B13R2.3 C1=CN=CC(C2CCCNC2)=C1 MC430232 [0,1,0,1,0,0|1,0,0]=3 302 B13R2.3 C1=CN=CC(C2CNCCO2)=C1 MC107791 [0,1,0,1,0,0|1,0,0]=3 303 B13R2.3 C1=CN=CC(N2CCNCC2)=C1 CS15006 [0,1,0,1,0,0|2,0,0]=4 304 B13R2.10 O=C1CC(C2=CC=CC=C2)CN1 CS13543 [0,1,0,1,0,0|0,0,1]=3 305 B13R2.10 O=C1CCC(C2=CC=NC=C2)C1 MC106176 [0,1,0,1,0,0|2,0,0]=4 306 B13R2.10 O=C1CCC(C2=NC=CC=C2)C1 MC106175 [0,1,0,1,0,0|2,0,0]=4 307 B13R2.2532 NCC1(C2=CC=CC=C2)CC1F MC102851 [0,1,0,1,0,0|2,0,0]=4 308 B13R2.2532 NCC1(C2=CC=CC=C2)CC1F MC102852 [0,1,0,1,0,0|2,0,0]=4 309 B13R2.2532 OCC1(C2=CC=CC=C2)CC1F MC102853 [0,1,0,1,0,0|2,0,0]=4 310 B13R2.2532 OCC1(C2=CC=CC=C2)CC1F MC102854 [0,1,0,1,0,0|2,0,0]=4 311 B13R2.2539 BrCC1(C2=CC=CC=C2)COC1 MC115756 [0,1,0,1,0,0|1,0,0]=3 312 B13R2.2539 ICC1(C2=CC=CC=C2)COC1 MC115777 [0,1,0,1,0,0|1,0,0]=3 313 B13R2.2539 N#CC1(C2=CC=CC=C2)CCC1 CS20789 [0,1,0,1,0,0|1,0,1]=4 314 B13R2.2539 N#CC1(C2=CC=CC=C2)COC1 MC102447 [0,1,0,1,0,0|1,0,1]=4 315 B13R2.2539 NCC1(C2=CC=CC=C2)COC1 MC113068 [0,1,0,1,0,0|1,0,0]=3 316 B13R2.2931 CN1N=C(CBr)C2=CC=CC=C21 CS17545 [0,1,0,1,0,0|1,0,1]=4 317 B13R2.2931 CN1N=C(CO)C2=CC=CC=C21 MC444217 [0,1,0,1,0,0|1,0,1]=4 318 B13R2.12 BrC1=CC=C(C2CCCN2)C=C1 CS14245 [0,1,0,1,0,0|2,0,0]=4 319 B13R2.12 BrC1=CC=C(N2CCCC2)C=C1 CS13956 [0,1,0,1,0,0|2,0,0]=4 320 B13R2.12 CC1=CC=C(C2CCCN2)C=C1 CS15355 [0,1,0,1,0,0|2,0,0]=4 321 B13R2.12 FC1=CC=C(C2CCCN2)C=C1 CS20274 [0,1,0,1,0,0|2,0,0]=4 322 B13R2.12 FC1=CC=C(C2CCCN2)C=C1 MC31188 [0,1,0,1,0,0|2,0,0]=4 323 B13R2.2986 CC1=CC=C(C2(N)COC2)C=C1 MC102483 [0,1,0,1,0,0|2,0,0]=4 324 B13R2.2986 NC1(C2=CC=C(Br)C=C2)CCC1 CS12829 [0,1,0,1,0,0|2,0,0]=4 325 B13R2.2986 NC1(C2=CC=C(Br)C=C2)COC1 MC102460 [0,1,0,1,0,0|2,0,0]=4 326 B13R2.2986 NC1(C2=CC=C(Cl)C=C2)COC1 MC115763 [0,1,0,1,0,0|2,0,0]=4 327 B13R2.2986 NC1(C2=CC=C(I)C=C2)COC1 MC102477 [0,1,0,1,0,0|2,0,0]=4 328 B13R2.2986 OC1(C2=CC=C(Br)C=C2)COC1 MC102170 [0,1,0,1,0,0|2,0,0]=4 329 B13R2.5179 CC1CNCC2=CC(Br)=CC=C21 MC427152 [0,1,0,1,0,0|0,0,0]=2 330 B13R2.5187 CC1=NN(C)C2=CC(Br)=CC=C21 MC444411 [0,1,0,1,0,0|1,0,1]=4 331 B13R2.5187 CC1=NN(C)C2=CC(N)=CC=C21 MC444072 [0,1,0,1,0,0|1,0,1]=4 332 B13R2.5187 CC1=NN(C)C2=CC=C(Br)C=C21 MC444385 [0,1,0,1,0,0|1,0,1]=4 333 B13R2.5187 CC1=NN(C)C2=CC=C(N)C=C21 CS16504 [0,1,0,1,0,0|1,0,1]=4 334 B13R2.5187 CC1CC(=O)C2=CC=C(F)C=C21 MC446744 [0,1,0,1,0,0|2,0,0]=4 335 B13R2.13 CC1=CC(C2CCCN2)=CC=C1 CS15757 [0,1,0,1,0,0|2,0,0]=4 336 B13R2.13 FC1=CC=CC(C2CCCN2)=C1 CS11095 [0,1,0,1,0,0|2,0,0]=4 337 B13R2.162 CN1CCCC2=CC=C(N)C=C21 CS11790 [0,1,0,1,0,0|2,0,0]=4 338 B13R2.162 NC1CCCC2=CC=C(Br)C=C21 CS18492 [0,1,0,1,0,0|2,0,0]=4 339 B13R2.162 NC1COCc2ccc(Br)cc21 MC100143 [0,1,0,1,0,0|2,0,0]=4 340 B13R2.162 NC1CSCc2ccc(Br)cc21 MC100183 [0,1,0,1,0,0|2,0,0]=4 341 B13R2.3018 CC1(C2=CC(Br)=CC=C2)COC1 MC102910 [0,1,0,1,0,0|1,0,0]=3 342 B13R2.3018 CC1(C2=NC=CC(Br)=C2)CCC1 MC110671 [0,1,0,1,0,0|2,0,0]=4 343 B13R2.3018 CC1=CC(C2(N)COC2)=CC=C1 MC102437 [0,1,0,1,0,0|2,0,0]=4 344 B13R2.3018 NC1(C2=CC(Br)=CC=C2)CCC1 MC115301 [0,1,0,1,0,0|2,0,0]=4 345 B13R2.3018 NC1(C2=CC(Br)=CC=C2)COC1 MC102448 [0,1,0,1,0,0|2,0,0]=4 346 B13R2.3018 NC1(C2=CC(Cl)=CC=C2)COC1 MC115762 [0,1,0,1,0,0|2,0,0]=4 347 B13R2.3018 NC1(C2=CC(F)=CC=C2)COC1 MC115774 [0,1,0,1,0,0|2,0,0]=4 348 B13R2.3018 NC1(C2=CC(I)=CC=C2)COC1 MC102476 [0,1,0,1,0,0|2,0,0]=4 349 B13R2.3018 OC1(C2=CC(Br)=CC=C2)COC1 MC102906 [0,1,0,1,0,0|2,0,0]=4 350 B13R2.4857 CC1=NN(C)C2=C(Br)C=CC=C12 MC103524 [0,1,0,1,0,0|1,0,1]=4 351 B13R2.371 CC1=NCC(C)C2=CC=CC=C21 MC33409 [0,1,0,1,0,0|0,0,1]=3 352 B13R2.3085 CC1=C(I)N(C)C2=CC=CC=C21 MC114572 [0,1,0,1,0,0|0,0,2]=4 353 B13R2.3122 CC1(C)CCSC2=C1C=CC=C2 MC41779 [0,1,0,1,0,0|2,0,0]=4 354 B13R2.423 O=[N+]([O-])C1CC1C2=CC=CC=C2 MC106452 [0,1,0,1,0,0|1,0,1]=4 355 B13R2.18 ClC1=C(C2CCNC2)C=CC=C1 CS15235 [0,1,0,1,0,0|0,0,0]=2 356 B13R2.18 FC1=C(C2CCCN2)C=CC=C1 CS11094 [0,1,0,1,0,0|2,0,0]=4 357 B13R2.3569 NC1(C2=C(Br)C=CC=C2)COC1 MC115747 [0,1,0,1,0,0|2,0,0]=4 358 B13R2.3569 NC1(C2=C(F)C=CC=C2)COC1 MC115773 [0,1,0,1,0,0|2,0,0]=4 359 B13R2.4818 CN1CCCC2=CC=CC(O)=C21 MC104408 [0,1,0,1,0,0|2,0,0]=4 360 B9R1.12 CCCCC1C=CC=C1 MC114482 [1,0,0,0,1,0|1,0,1]=4 361 B13R1.42 CNCC(=O)OCc1ccccc1 MC438153 [0,0,0,0,0,2|1,0,1]=4