0 B10R1.15 C=C(C#N)C1=CC=CC=C1 MC106124 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.15 C=C(CBr)C1=CC=CC=C1 CS20091 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.15 C=CC(N)C1=CC=CC=C1 MC102512 [0,0,0,0,0,0|2,0,2]=4 3 B10R1.15 CC(CN)C1=CC=CC=C1 CS10909 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.15 CC(CN)c1ccccc1 MC110750 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.15 CC(NO)c1ccccc1 MC103844 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.15 CC(NO)c1ccccc1 MC103845 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.15 CCC(C)C1=CC=CC=C1 CS11947 [0,0,0,0,0,0|2,0,1]=3 8 B10R1.15 CCC(C)C1=CC=CC=C1 MC433489 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.15 CCC(N)C1=CC=CC=C1 MC20337 [0,0,0,0,0,0|2,0,1]=3 10 B10R1.15 CN(C=O)C1=CC=CC=C1 CS11793 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.15 COC(=N)C1=NC=CC=C1 MC106728 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.15 COC(=O)C1=CC=CC=C1 MC40065 [0,0,0,0,0,0|0,0,0]=0 13 B10R1.15 COC(=O)C1=CC=CN=N1 MC444561 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.15 COC(=O)C1=CC=NC=C1 CS18945 [0,0,0,0,0,0|1,0,0]=1 15 B10R1.15 COC(=O)C1=CCOCC1 MC113105 [0,0,0,0,0,0|1,0,3]=4 16 B10R1.15 COC(=O)C1=CN=CC=C1 CS19425 [0,0,0,0,0,0|1,0,0]=1 17 B10R1.15 COC(=O)C1=CN=CN=C1 MC444563 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.15 COC(=O)C1=CN=NC=C1 CS13474 [0,0,0,0,0,0|2,0,0]=2 19 B10R1.15 COC(=O)C1=NC=CC=C1 CS19684 [0,0,0,0,0,0|1,0,0]=1 20 B10R1.15 COC(=O)C1=NC=CC=N1 CS19792 [0,0,0,0,0,0|2,0,0]=2 21 B10R1.15 COC(=O)C1=NC=NC=C1 MC444562 [0,0,0,0,0,0|2,0,0]=2 22 B10R1.15 C\C(=C\Br)C1=CC=NC=C1 MC111870 [0,0,0,0,0,0|4,0,0]=4 23 B10R1.15 FC(CBr)C1=CC=CC=C1 MC102769 [0,0,0,0,0,0|3,0,1]=4 24 B10R1.15 N#CC(N)C1=CC=CC=C1 MC31161 [0,0,0,0,0,0|3,0,1]=4 25 B10R1.15 NC(CO)C1=CC=CC=C1 CS10553 [0,0,0,0,0,0|3,0,1]=4 26 B10R1.15 NC(CO)C1=CC=CC=C1 CS10555 [0,0,0,0,0,0|3,0,1]=4 27 B10R1.15 NC(CO)C1=CC=CC=C1 CS15860 [0,0,0,0,0,0|3,0,1]=4 28 B10R1.15 NCC(=O)C1=CC=CC=C1 CS10874 [0,0,0,0,0,0|2,0,0]=2 29 B10R1.15 NCC(=O)C1=NC=CC=C1 MC33498 [0,0,0,0,0,0|3,0,0]=3 30 B10R1.15 NCC(O)C1=CC=CC=C1 CS20485 [0,0,0,0,0,0|2,0,2]=4 31 B10R1.15 NCC(O)C1=CC=CC=C1 MC444625 [0,0,0,0,0,0|2,0,2]=4 32 B10R1.15 NNC(=O)C1=CC=CC=C1 CS10971 [0,0,0,0,0,0|2,0,0]=2 33 B10R1.15 NNC(=O)C1=CN=CC=C1 CS19488 [0,0,0,0,0,0|3,0,0]=3 34 B10R1.15 NNC(=O)C1=NC=CN=C1 CS18472 [0,0,0,0,0,0|4,0,0]=4 35 B10R1.15 NNC(=O)c1ccncc1 MC445177 [0,0,0,0,0,0|3,0,0]=3 36 B10R1.15 O=C(CBr)C1=CC=CC=C1 CS19274 [0,0,0,0,0,0|2,0,0]=2 37 B10R1.15 O=C(CBr)C1=CC=CN=C1 MC42216 [0,0,0,0,0,0|3,0,0]=3 38 B10R1.15 O=C(CBr)C1=CC=NC=C1 CS20175 [0,0,0,0,0,0|3,0,0]=3 39 B10R1.15 O=C(CBr)C1=NC=CC=N1 MC115988 [0,0,0,0,0,0|4,0,0]=4 40 B10R1.15 O=C(CBr)C1=NC=NC=C1 MC106959 [0,0,0,0,0,0|4,0,0]=4 41 B10R1.15 O=C(CCl)C1=CC=CC=C1 MC20159 [0,0,0,0,0,0|2,0,0]=2 42 B10R1.15 O=C(CI)C1=CC=CC=C1 MC433244 [0,0,0,0,0,0|2,0,0]=2 43 B10R1.15 OC(CBr)C1=CC=CC=C1 CS18840 [0,0,0,0,0,0|2,0,2]=4 44 B10R1.15 OCC(F)C1=CC=CC=C1 MC430923 [0,0,0,0,0,0|3,0,1]=4 45 B10R1.15 O\N=C(/Cl)C1=NC=CC=C1 CS14803 [0,0,0,0,0,0|4,0,0]=4 46 B9R1.6 C=C(C)C1=CC=NC=C1 MC111872 [1,0,0,0,0,0|2,0,0]=3 47 B9R1.6 C=C(F)C1=CC=CC=C1 MC102770 [1,0,0,0,0,0|1,0,1]=3 48 B9R1.6 CC(=O)C1=CC=CC=C1 MC41221 [1,0,0,0,0,0|0,0,0]=1 49 B9R1.6 CC(=O)C1=CC=CN=C1 CS18256 [1,0,0,0,0,0|1,0,0]=2 50 B9R1.6 CC(=O)C1=CC=CN=N1 MC444225 [1,0,0,0,0,0|2,0,0]=3 51 B9R1.6 CC(=O)C1=CC=NC=C1 CS22535 [1,0,0,0,0,0|1,0,0]=2 52 B9R1.6 CC(=O)C1=CN=CN=C1 MC444371 [1,0,0,0,0,0|2,0,0]=3 53 B9R1.6 CC(=O)C1=CN=NC=C1 MC444309 [1,0,0,0,0,0|2,0,0]=3 54 B9R1.6 CC(=O)C1=NC=CC=C1 CS18611 [1,0,0,0,0,0|1,0,0]=2 55 B9R1.6 CC(=O)C1=NC=CC=N1 MC444159 [1,0,0,0,0,0|2,0,0]=3 56 B9R1.6 CC(=O)C1=NC=CN=C1 CS19346 [1,0,0,0,0,0|2,0,0]=3 57 B9R1.6 CC(=O)C1=NC=NC=C1 MC442362 [1,0,0,0,0,0|2,0,0]=3 58 B9R1.6 CC(Br)C1=CC=CC=C1 MC40570 [1,0,0,0,0,0|1,0,1]=3 59 B9R1.6 CC(C)C1=NC=CC=C1 CS21621 [1,0,0,0,0,0|2,0,1]=4 60 B9R1.6 CC(N)C1=CC=CC=C1 CS10551 [1,0,0,0,0,0|1,0,1]=3 61 B9R1.6 CC(N)C1=CC=CC=C1 MC20344 [1,0,0,0,0,0|1,0,1]=3 62 B9R1.6 CC(N)C1=NC=CC=C1 CS15370 [1,0,0,0,0,0|2,0,1]=4 63 B9R1.6 CC(N)C1=NC=CC=C1 CS20271 [1,0,0,0,0,0|2,0,1]=4 64 B9R1.6 CC(O)C1=CC=CC=C1 MC20383 [1,0,0,0,0,0|0,0,2]=3 65 B9R1.6 CC(O)C1=NC=CC=C1 CS20801 [1,0,0,0,0,0|1,0,2]=4 66 B9R1.6 CC(O)C1=NC=CC=C1 MC20310 [1,0,0,0,0,0|1,0,2]=4 67 B9R1.6 CN(C)C1=CC=CC=C1 MC40906 [1,0,0,0,0,0|2,0,0]=3 68 B9R1.6 CN(C)C1=CC=NC=C1 CS13386 [1,0,0,0,0,0|3,0,0]=4 69 B9R1.6 C[PH](=O)C1=CC=CC=C1 CS16386 [1,0,0,0,0,0|1,0,0]=2 70 B9R1.6 ClC(Cl)C1=CC=CC=C1 MC40608 [1,0,0,0,0,0|2,0,1]=4 71 B9R1.6 FC(F)C1=CC=CC=C1 MC41442 [1,0,0,0,0,0|2,0,1]=4 72 B9R1.6 N=C(N)C1=CC=CC=C1 CS14830 [1,0,0,0,0,0|2,0,0]=3 73 B9R1.6 N=C(N)C1=CN=CC=C1 CS19487 [1,0,0,0,0,0|3,0,0]=4 74 B9R1.6 N=C(N)C1=NC=CC=C1 CS19100 [1,0,0,0,0,0|3,0,0]=4 75 B9R1.6 NC(=O)C1=CC=CC=C1 CS10962 [1,0,0,0,0,0|1,0,0]=2 76 B9R1.6 NC(=O)C1=CC=NC=C1 CS13721 [1,0,0,0,0,0|2,0,0]=3 77 B9R1.6 NC(=O)C1=NC=CC=C1 CS11910 [1,0,0,0,0,0|2,0,0]=3 78 B9R1.6 NC(=O)C1=NC=CN=C1 CS13379 [1,0,0,0,0,0|3,0,0]=4 79 B9R1.6 NC(=O)C1=NC=CN=C1 MC427375 [1,0,0,0,0,0|3,0,0]=4 80 B9R1.6 NC(=S)C1=CC=CC=C1 MC20863 [1,0,0,0,0,0|1,1,0]=3 81 B9R1.6 O=C(Cl)C1=CC=CC=C1 MC40435 [1,0,0,0,0,0|1,0,0]=2 82 B9R1.6 O=C(Cl)C1=NC=CC=C1 CS11857 [1,0,0,0,0,0|2,0,0]=3 83 B9R1.6 O=C(O)C1=CC=CC=C1 MC40233 [1,0,0,0,0,0|0,0,0]=1 84 B9R1.6 O=C(O)C1=CC=CN=C1 MC41633 [1,0,0,0,0,0|1,0,0]=2 85 B9R1.6 O=C(O)C1=CC=CN=N1 CS19741 [1,0,0,0,0,0|2,0,0]=3 86 B9R1.6 O=C(O)C1=CN=CN=C1 CS17525 [1,0,0,0,0,0|2,0,0]=3 87 B9R1.6 O=C(O)C1=CN=NC=C1 MC41706 [1,0,0,0,0,0|2,0,0]=3 88 B9R1.6 O=C(O)C1=NC=CC=C1 CS13384 [1,0,0,0,0,0|1,0,0]=2 89 B9R1.6 O=C(O)C1=NC=CC=N1 CS18229 [1,0,0,0,0,0|2,0,0]=3 90 B9R1.6 O=C(O)C1=NC=CN=C1 CS17531 [1,0,0,0,0,0|2,0,0]=3 91 B9R1.6 O=C(O)C1=NC=NC=C1 CS14129 [1,0,0,0,0,0|2,0,0]=3 92 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 MC41586 [1,0,0,0,0,0|1,0,1]=3 93 B9R1.6 O=[N+]([O-])C1=CC=CN=C1 CS22384 [1,0,0,0,0,0|2,0,1]=4 94 B9R1.6 OB(O)C1=CC=CC=C1 CS19450 [1,0,0,0,0,0|1,0,1]=3 95 B9R1.6 OB(O)C1=CC=CN=C1 CS17797 [1,0,0,0,0,0|2,0,1]=4 96 B9R1.6 OB(O)C1=CC=NC=C1 CS22018 [1,0,0,0,0,0|2,0,1]=4 97 B9R1.6 OB(O)C1=NC=CC=C1 MC20201 [1,0,0,0,0,0|2,0,1]=4 98 B9R1.8 BrCCC1=CC=CC=C1 MC40571 [1,0,0,0,0,0|2,0,1]=4 99 B9R1.8 Br[Zn]Cc1ccccc1 MC121333 [1,0,0,0,0,0|2,0,1]=4 100 B9R1.8 CCCC1=CC=CN=C1 CS22402 [1,0,0,0,0,0|2,0,1]=4 101 B9R1.8 CCNC1=CC=CC=C1 MC40913 [1,0,0,0,0,0|2,0,0]=3 102 B9R1.8 CCOC1=NC=CC=C1 CS18732 [1,0,0,0,0,0|3,0,0]=4 103 B9R1.8 CNCC1=CC=CC=C1 MC10559 [1,0,0,0,0,0|1,0,1]=3 104 B9R1.8 CNCC1=CC=CC=C1 MC20323 [1,0,0,0,0,0|1,0,1]=3 105 B9R1.8 CNCC1=CC=CC=C1 MC21006 [1,0,0,0,0,0|1,0,1]=3 106 B9R1.8 CNCC1=CC=CN=C1 CS18846 [1,0,0,0,0,0|2,0,1]=4 107 B9R1.8 COCC1=NC=CC=C1 CS20909 [1,0,0,0,0,0|1,0,1]=3 108 B9R1.8 ClCCC1=CC=CC=C1 MC40609 [1,0,0,0,0,0|2,0,1]=4 109 B9R1.8 FCCC1=CC=CC=C1 MC41557 [1,0,0,0,0,0|2,0,1]=4 110 B9R1.8 NCCC1=CC=CC=C1 MC40983 [1,0,0,0,0,0|2,0,1]=4 111 B9R1.8 NNCC1=CC=CC=C1 CS11006 [1,0,0,0,0,0|2,0,1]=4 112 B9R1.8 NNCC1=CC=CC=C1 CS12127 [1,0,0,0,0,0|2,0,1]=4 113 B9R1.8 NOCC1=CC=CC=C1 CS14063 [1,0,0,0,0,0|1,0,1]=3 114 B9R1.8 O=C=NC1=CC=CC=C1 MC41051 [1,0,0,0,0,0|3,0,0]=4 115 B9R1.8 O=CNC1=CC=CC=C1 MC40924 [1,0,0,0,0,0|3,0,0]=4 116 B9R1.8 O=COC1=CC=CC=C1 MC40136 [1,0,0,0,0,0|3,0,0]=4 117 B9R1.8 OCCC1=CC=CC=C1 MC40745 [1,0,0,0,0,0|2,0,1]=4 118 B9R1.8 ONCC1=CC=CC=C1 CS11753 [1,0,0,0,0,0|2,0,1]=4 119 B11R1.7 C=CS(=O)(=O)C1=CC=CC=C1 CS20936 [0,1,0,0,0,0|2,0,1]=4 120 B11R1.7 O=S(=O)(NF)C1=CC=CC=C1 MC426118 [0,1,0,0,0,0|3,0,0]=4 121 B11R1.12 CCP(CC)c1ccccc1 MC444851 [0,1,0,0,0,0|3,0,0]=4 122 B11R1.12 CNC(CO)C1=CC=CC=C1 CS17955 [0,1,0,0,0,0|1,0,2]=4 123 B11R1.12 COC(OC)c1ccccc1 CS10959 [0,1,0,0,0,0|0,0,2]=3 124 B11R1.12 COP(OC)C1=CC=CC=C1 MC444856 [0,1,0,0,0,0|1,0,1]=3 125 B11R1.16 CCCC(=O)C1=CC=CN=C1 MC443690 [0,1,0,0,0,0|2,0,0]=3 126 B11R1.16 CCOC(=O)C1=CC=NC=C1 MC41618 [0,1,0,0,0,0|1,0,0]=2 127 B11R1.16 CCOC(=O)C1=CN=CC=C1 CS19194 [0,1,0,0,0,0|1,0,0]=2 128 B11R1.16 CCOC(=O)C1=NC=CC=C1 CS14035 [0,1,0,0,0,0|1,0,0]=2 129 B11R1.16 CN(CCN)C1=CC=CC=C1 CS11704 [0,1,0,0,0,0|3,0,0]=4 130 B11R1.16 CNCC(C)C1=CC=CC=C1 MC446681 [0,1,0,0,0,0|2,0,1]=4 131 B11R1.16 CNCC(O)C1=CC=CC=C1 MC446674 [0,1,0,0,0,0|1,0,2]=4 132 B11R1.16 N#CCC(=O)C1=CC=CC=C1 CS10995 [0,1,0,0,0,0|1,0,1]=3 133 B11R1.16 N#CCC(=O)C1=CC=CN=C1 MC425586 [0,1,0,0,0,0|2,0,1]=4 134 B11R1.16 NC(CCO)C1=CC=CC=C1 CS18735 [0,1,0,0,0,0|2,0,1]=4 135 B11R1.16 NC(CCO)C1=CC=CC=C1 CS21217 [0,1,0,0,0,0|2,0,1]=4 136 B11R1.16 O=C(CCCl)C1=CC=CC=C1 MC41279 [0,1,0,0,0,0|1,0,0]=2 137 B11R1.16 O=C(N=C=S)C1=CC=CC=C1 MC41078 [0,1,0,0,0,0|1,0,1]=3 138 B11R1.16 OC(CCCl)C1=CC=CC=C1 CS10897 [0,1,0,0,0,0|1,0,2]=4 139 B11R1.16 OC(CCCl)C1=CC=CC=C1 CS22197 [0,1,0,0,0,0|1,0,2]=4 140 B11R1.16 OC(CCCl)C1=CC=CC=C1 MC20313 [0,1,0,0,0,0|1,0,2]=4 141 B11R1.22 CC1=CC=C(C(=O)CBr)C=N1 MC431197 [0,1,0,0,0,0|3,0,0]=4 142 B11R1.22 CCC(=O)C1=CC=C(Br)C=C1 CS22698 [0,1,0,0,0,0|1,0,0]=2 143 B11R1.22 CCC(=O)C1=CC=C(Cl)C=C1 CS22795 [0,1,0,0,0,0|1,0,0]=2 144 B11R1.22 CCC(=O)C1=CC=C(Cl)N=C1 CS20436 [0,1,0,0,0,0|2,0,0]=3 145 B11R1.22 CCC(=O)C1=CC=C(F)C=C1 CS22846 [0,1,0,0,0,0|1,0,0]=2 146 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 CS15690 [0,1,0,0,0,0|1,0,0]=2 147 B11R1.22 CCC(C)C1=CC=C(Br)C=C1 CS18281 [0,1,0,0,0,0|2,0,1]=4 148 B11R1.22 CNC(=O)C1=CN=C(Cl)C=C1 MC33519 [0,1,0,0,0,0|2,0,0]=3 149 B11R1.22 COC(=O)C1=CC=C(Br)C=C1 CS15303 [0,1,0,0,0,0|0,0,0]=1 150 B11R1.22 COC(=O)C1=CC=C(Br)N=N1 CS15397 [0,1,0,0,0,0|2,0,0]=3 151 B11R1.22 COC(=O)C1=CC=C(C)C=C1 MC40114 [0,1,0,0,0,0|0,0,0]=1 152 B11R1.22 COC(=O)C1=CC=C(Cl)N=N1 CS11663 [0,1,0,0,0,0|2,0,0]=3 153 B11R1.22 COC(=O)C1=CC=C(F)C=C1 CS20841 [0,1,0,0,0,0|0,0,0]=1 154 B11R1.22 COC(=O)C1=CC=C(I)C=C1 CS20853 [0,1,0,0,0,0|0,0,0]=1 155 B11R1.22 COC(=O)C1=CC=C(N)C=C1 CS20990 [0,1,0,0,0,0|0,0,0]=1 156 B11R1.22 COC(=O)C1=CC=C(N)N=N1 MC444521 [0,1,0,0,0,0|2,0,0]=3 157 B11R1.22 COC(=O)C1=CC=C(O)C=C1 CS19446 [0,1,0,0,0,0|0,0,0]=1 158 B11R1.22 COC(=O)C1=CN=C(Br)C=C1 CS14052 [0,1,0,0,0,0|1,0,0]=2 159 B11R1.22 COC(=O)C1=CN=C(Br)N=C1 MC442840 [0,1,0,0,0,0|2,0,0]=3 160 B11R1.22 COC(=O)C1=CN=C(C)C=C1 CS10875 [0,1,0,0,0,0|1,0,0]=2 161 B11R1.22 COC(=O)C1=CN=C(Cl)N=C1 CS11603 [0,1,0,0,0,0|2,0,0]=3 162 B11R1.22 COC(=O)C1=CN=C(F)C=C1 CS13697 [0,1,0,0,0,0|1,0,0]=2 163 B11R1.22 COC(=O)C1=CN=C(N)C=C1 CS14193 [0,1,0,0,0,0|1,0,0]=2 164 B11R1.22 COC(=O)C1=CN=C(N)N=C1 CS12441 [0,1,0,0,0,0|2,0,0]=3 165 B11R1.22 COC(=O)C1=CN=C(O)C=C1 CS19248 [0,1,0,0,0,0|1,0,0]=2 166 B11R1.22 COC(=O)C1=CNC(=O)N=C1 MC443636 [0,1,0,0,0,0|2,0,0]=3 167 B11R1.22 COC(=O)C1=COC(=O)C=C1 CS19181 [0,1,0,0,0,0|1,0,0]=2 168 B11R1.22 COC(=O)C1=NC=C(Br)C=C1 CS14099 [0,1,0,0,0,0|1,0,0]=2 169 B11R1.22 COC(=O)C1=NC=C(Br)C=N1 CS12346 [0,1,0,0,0,0|2,0,0]=3 170 B11R1.22 COC(=O)C1=NC=C(Br)N=C1 CS11655 [0,1,0,0,0,0|2,0,0]=3 171 B11R1.22 COC(=O)C1=NC=C(C)C=C1 CS15553 [0,1,0,0,0,0|1,0,0]=2 172 B11R1.22 COC(=O)C1=NC=C(C)C=N1 MC115976 [0,1,0,0,0,0|2,0,0]=3 173 B11R1.22 COC(=O)C1=NC=C(Cl)N=C1 CS14158 [0,1,0,0,0,0|2,0,0]=3 174 B11R1.22 COC(=O)C1=NC=C(F)C=C1 CS16224 [0,1,0,0,0,0|1,0,0]=2 175 B11R1.22 COC(=O)C1=NC=C(N)C=C1 CS21755 [0,1,0,0,0,0|1,0,0]=2 176 B11R1.22 COC(=O)C1=NC=C(N)C=N1 MC103762 [0,1,0,0,0,0|2,0,0]=3 177 B11R1.22 COC(=O)C1=NC=C(N)C=N1 MC115672 [0,1,0,0,0,0|2,0,0]=3 178 B11R1.22 COC(=O)C1=NC=C(N)N=C1 MC444546 [0,1,0,0,0,0|2,0,0]=3 179 B11R1.22 COC(=O)C1=NC=C(O)C=C1 CS10406 [0,1,0,0,0,0|1,0,0]=2 180 B11R1.22 COC(=O)C1=NC=C(O)N=C1 CS19747 [0,1,0,0,0,0|2,0,0]=3 181 B11R1.22 COC(=O)C1=NNC(=O)C=C1 CS13480 [0,1,0,0,0,0|2,0,0]=3 182 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 CS10839 [0,1,0,0,0,0|2,0,0]=3 183 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 CS20894 [0,1,0,0,0,0|2,0,0]=3 184 B11R1.22 NNC(=O)C1=CC=C(Br)C=C1 MC33165 [0,1,0,0,0,0|2,0,0]=3 185 B11R1.22 NNC(=O)C1=CC=C(Cl)C=C1 MC20179 [0,1,0,0,0,0|2,0,0]=3 186 B11R1.22 NNC(=O)C1=CC=C(F)C=C1 MC41002 [0,1,0,0,0,0|2,0,0]=3 187 B11R1.22 NNC(=O)C1=CC=C(I)C=C1 MC41004 [0,1,0,0,0,0|2,0,0]=3 188 B11R1.22 NNC(=O)C1=CC=C(O)C=C1 MC41003 [0,1,0,0,0,0|2,0,0]=3 189 B11R1.22 NNC(=O)C1=CNC(=O)C=C1 CS18702 [0,1,0,0,0,0|3,0,0]=4 190 B11R1.22 NNC(=O)C1=NC=C(F)C=C1 CS16150 [0,1,0,0,0,0|3,0,0]=4 191 B11R1.22 N\C(=N/O)C1=CC=C(Br)C=C1 MC428196 [0,1,0,0,0,0|3,0,0]=4 192 B11R1.22 N\C(=N/O)C1=CC=C(F)C=C1 MC41822 [0,1,0,0,0,0|3,0,0]=4 193 B11R1.22 O=C(CBr)C1=CC=C(Br)C=C1 CS19445 [0,1,0,0,0,0|2,0,0]=3 194 B11R1.22 O=C(CBr)C1=CC=C(Cl)C=C1 MC433210 [0,1,0,0,0,0|2,0,0]=3 195 B11R1.22 O=C(CBr)C1=CC=C(F)C=C1 CS20678 [0,1,0,0,0,0|2,0,0]=3 196 B11R1.22 O=C(CBr)C1=CC=C(O)C=C1 CS10771 [0,1,0,0,0,0|2,0,0]=3 197 B11R1.22 O=C(CCl)C1=CC=C(Br)C=C1 CS14324 [0,1,0,0,0,0|2,0,0]=3 198 B11R1.22 O=C(CCl)C1=CC=C(F)C=C1 MC41236 [0,1,0,0,0,0|2,0,0]=3 199 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 CS15989 [0,1,0,0,0,0|2,0,0]=3 200 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 MC427408 [0,1,0,0,0,0|2,0,0]=3 201 B11R1.22 O=CC(=O)C1=CC=C(Cl)C=C1 CS20192 [0,1,0,0,0,0|2,0,0]=3 202 B11R1.22 O=CC(=O)C1=CC=C(O)C=C1 CS18120 [0,1,0,0,0,0|2,0,0]=3 203 B11R1.23 CCC(=O)C1=CC(Br)=CC=C1 MC41278 [0,1,0,0,0,0|1,0,0]=2 204 B11R1.23 CCC(=O)C1=CC(Cl)=CC=C1 MC41280 [0,1,0,0,0,0|1,0,0]=2 205 B11R1.23 CCC(=O)C1=CC(F)=CC=C1 MC41284 [0,1,0,0,0,0|1,0,0]=2 206 B11R1.23 CCC(=O)C1=CC(N)=CC=C1 MC433258 [0,1,0,0,0,0|1,0,0]=2 207 B11R1.23 CNC(=O)C1=NC=CC(Cl)=C1 CS18168 [0,1,0,0,0,0|2,0,0]=3 208 B11R1.23 COC(=O)C1=CC(=O)NC=C1 CS11585 [0,1,0,0,0,0|1,0,0]=2 209 B11R1.23 COC(=O)C1=CC(Br)=CC=C1 CS20038 [0,1,0,0,0,0|0,0,0]=1 210 B11R1.23 COC(=O)C1=CC(C)=CC=C1 MC40113 [0,1,0,0,0,0|0,0,0]=1 211 B11R1.23 COC(=O)C1=CC(Cl)=CC=C1 CS11622 [0,1,0,0,0,0|0,0,0]=1 212 B11R1.23 COC(=O)C1=CC(Cl)=NC=C1 CS18382 [0,1,0,0,0,0|1,0,0]=2 213 B11R1.23 COC(=O)C1=CC(F)=CC=C1 MC40102 [0,1,0,0,0,0|0,0,0]=1 214 B11R1.23 COC(=O)C1=CC(I)=CC=C1 CS19204 [0,1,0,0,0,0|0,0,0]=1 215 B11R1.23 COC(=O)C1=CC(N)=CC=C1 MC40055 [0,1,0,0,0,0|0,0,0]=1 216 B11R1.23 COC(=O)C1=CC(N)=NC=C1 CS19528 [0,1,0,0,0,0|1,0,0]=2 217 B11R1.23 COC(=O)C1=CC(N)=NC=C1 MC442551 [0,1,0,0,0,0|1,0,0]=2 218 B11R1.23 COC(=O)C1=CC(O)=CC=C1 CS13404 [0,1,0,0,0,0|0,0,0]=1 219 B11R1.23 COC(=O)C1=CC(S)=CC=C1 MC100369 [0,1,0,0,0,0|0,0,0]=1 220 B11R1.23 COC(=O)C1=CC(S)=NC=C1 MC430617 [0,1,0,0,0,0|1,0,0]=2 221 B11R1.23 COC(=O)C1=CC=CC(=O)N1 CS15010 [0,1,0,0,0,0|1,0,0]=2 222 B11R1.23 COC(=O)C1=CN=CC(Br)=C1 CS10403 [0,1,0,0,0,0|1,0,0]=2 223 B11R1.23 COC(=O)C1=CN=CC(C)=C1 CS11660 [0,1,0,0,0,0|1,0,0]=2 224 B11R1.23 COC(=O)C1=CN=CC(N)=C1 CS18261 [0,1,0,0,0,0|1,0,0]=2 225 B11R1.23 COC(=O)C1=CN=CC(O)=C1 CS11658 [0,1,0,0,0,0|1,0,0]=2 226 B11R1.23 COC(=O)C1=CN=NC(Cl)=C1 CS12304 [0,1,0,0,0,0|2,0,0]=3 227 B11R1.23 COC(=O)C1=NC(Br)=CC=C1 CS18917 [0,1,0,0,0,0|1,0,0]=2 228 B11R1.23 COC(=O)C1=NC(Br)=CN=C1 CS12870 [0,1,0,0,0,0|2,0,0]=3 229 B11R1.23 COC(=O)C1=NC(Br)=NC=C1 CS15709 [0,1,0,0,0,0|2,0,0]=3 230 B11R1.23 COC(=O)C1=NC(C)=CC=C1 CS12275 [0,1,0,0,0,0|1,0,0]=2 231 B11R1.23 COC(=O)C1=NC(C)=CN=C1 MC110937 [0,1,0,0,0,0|2,0,0]=3 232 B11R1.23 COC(=O)C1=NC(C)=NC=C1 CS15096 [0,1,0,0,0,0|2,0,0]=3 233 B11R1.23 COC(=O)C1=NC(Cl)=CC=C1 CS10671 [0,1,0,0,0,0|1,0,0]=2 234 B11R1.23 COC(=O)C1=NC(Cl)=CN=C1 CS12231 [0,1,0,0,0,0|2,0,0]=3 235 B11R1.23 COC(=O)C1=NC(Cl)=NC=C1 CS12287 [0,1,0,0,0,0|2,0,0]=3 236 B11R1.23 COC(=O)C1=NC(N)=CC=C1 CS10610 [0,1,0,0,0,0|1,0,0]=2 237 B11R1.23 COC(=O)C1=NC(N)=NC=C1 CS15550 [0,1,0,0,0,0|2,0,0]=3 238 B11R1.23 COC(=O)C1=NC=CC(Br)=C1 CS18223 [0,1,0,0,0,0|1,0,0]=2 239 B11R1.23 COC(=O)C1=NC=CC(Br)=N1 MC431545 [0,1,0,0,0,0|2,0,0]=3 240 B11R1.23 COC(=O)C1=NC=CC(C)=C1 MC431617 [0,1,0,0,0,0|1,0,0]=2 241 B11R1.23 COC(=O)C1=NC=CC(C)=N1 CS12268 [0,1,0,0,0,0|2,0,0]=3 242 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 CS14005 [0,1,0,0,0,0|1,0,0]=2 243 B11R1.23 COC(=O)C1=NC=CC(Cl)=N1 MC431559 [0,1,0,0,0,0|2,0,0]=3 244 B11R1.23 COC(=O)C1=NC=CC(F)=C1 MC430081 [0,1,0,0,0,0|1,0,0]=2 245 B11R1.23 NNC(=O)C1=CC(F)=CC=C1 MC429588 [0,1,0,0,0,0|2,0,0]=3 246 B11R1.23 O=C(CBr)C1=CC(Br)=CC=C1 MC41245 [0,1,0,0,0,0|2,0,0]=3 247 B11R1.23 O=C(CBr)C1=CC(Cl)=CC=C1 CS19056 [0,1,0,0,0,0|2,0,0]=3 248 B11R1.23 O=C(CBr)C1=CC(Cl)=NC=C1 MC431210 [0,1,0,0,0,0|3,0,0]=4 249 B11R1.23 O=C(CBr)C1=CC(F)=CC=C1 CS15383 [0,1,0,0,0,0|2,0,0]=3 250 B11R1.23 O=C(CBr)C1=CC(O)=CC=C1 MC433217 [0,1,0,0,0,0|2,0,0]=3 251 B11R1.23 O=C(CCl)C1=CC(Cl)=CC=C1 MC20163 [0,1,0,0,0,0|2,0,0]=3 252 B11R1.23 O=C(OO)C1=CC(Cl)=CC=C1 MC20584 [0,1,0,0,0,0|1,0,0]=2 253 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 CS19083 [0,1,0,0,0,0|3,0,0]=4 254 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 MC443670 [0,1,0,0,0,0|1,0,0]=2 255 B11R1.36 CC(C)C(=O)C1=CC=CN=C1 MC429968 [0,1,0,0,0,0|2,0,0]=3 256 B11R1.36 O=C(C1=NC=CC=C1)C(F)F MC442749 [0,1,0,0,0,0|3,0,0]=4 257 B11R1.222 CCC(=O)C1=C(Cl)C=CC=C1 CS15813 [0,1,0,0,0,0|1,0,0]=2 258 B11R1.222 CCC(=O)C1=C(N)C=CC=C1 MC430440 [0,1,0,0,0,0|1,0,0]=2 259 B11R1.222 CCC(=O)C1=CC=CN=C1N MC429975 [0,1,0,0,0,0|2,0,0]=3 260 B11R1.222 CCC(C)C1=C(N)C=CC=C1 CS21765 [0,1,0,0,0,0|2,0,1]=4 261 B11R1.222 CCC(N)C1=C(C)C=CC=C1 CS14530 [0,1,0,0,0,0|2,0,1]=4 262 B11R1.222 CNC(=O)C1=C(N)C=CC=C1 CS20442 [0,1,0,0,0,0|1,0,0]=2 263 B11R1.222 CNC(=O)C1=C(S)C=CC=C1 MC42220 [0,1,0,0,0,0|1,0,0]=2 264 B11R1.222 COC(=O)C1=C(Br)C=CC=C1 MC20192 [0,1,0,0,0,0|0,0,0]=1 265 B11R1.222 COC(=O)C1=C(Br)C=NC=C1 CS22176 [0,1,0,0,0,0|1,0,0]=2 266 B11R1.222 COC(=O)C1=C(C)C=NC=C1 MC121213 [0,1,0,0,0,0|1,0,0]=2 267 B11R1.222 COC(=O)C1=C(C)N=CC=C1 CS21004 [0,1,0,0,0,0|1,0,0]=2 268 B11R1.222 COC(=O)C1=C(Cl)N=CC=C1 CS20210 [0,1,0,0,0,0|1,0,0]=2 269 B11R1.222 COC(=O)C1=C(F)C=CC=C1 CS11605 [0,1,0,0,0,0|0,0,0]=1 270 B11R1.222 COC(=O)C1=C(F)N=CC=C1 CS14405 [0,1,0,0,0,0|1,0,0]=2 271 B11R1.222 COC(=O)C1=C(I)C=CC=C1 CS15277 [0,1,0,0,0,0|0,0,0]=1 272 B11R1.222 COC(=O)C1=C(I)C=NC=C1 CS22331 [0,1,0,0,0,0|1,0,0]=2 273 B11R1.222 COC(=O)C1=C(N)C=CC=C1 CS13618 [0,1,0,0,0,0|0,0,0]=1 274 B11R1.222 COC(=O)C1=C(O)C=NC=C1 CS11627 [0,1,0,0,0,0|1,0,0]=2 275 B11R1.222 COC(=O)C1=C(S)C=CC=C1 MC40110 [0,1,0,0,0,0|0,0,0]=1 276 B11R1.222 COC(=O)C1=CC=CN=C1N CS18010 [0,1,0,0,0,0|1,0,0]=2 277 B11R1.222 COC(=O)C1=CC=NNC1=O MC104814 [0,1,0,0,0,0|2,0,0]=3 278 B11R1.222 COC(=O)C1=CN=CC=C1C CS11648 [0,1,0,0,0,0|1,0,0]=2 279 B11R1.222 COC(=O)C1=CN=CC=C1Cl CS15530 [0,1,0,0,0,0|1,0,0]=2 280 B11R1.222 COC(=O)C1=CN=CC=C1Cl MC425389 [0,1,0,0,0,0|1,0,0]=2 281 B11R1.222 COC(=O)C1=CN=CC=C1N CS18774 [0,1,0,0,0,0|1,0,0]=2 282 B11R1.222 COC(=O)C1=CN=CN=C1N CS12825 [0,1,0,0,0,0|2,0,0]=3 283 B11R1.222 COC(=O)C1=CN=CNC1=O CS19080 [0,1,0,0,0,0|2,0,0]=3 284 B11R1.222 COC(=O)C1=CN=NC=C1C MC102128 [0,1,0,0,0,0|2,0,0]=3 285 B11R1.222 COC(=O)C1=NC=CC=C1Br CS12168 [0,1,0,0,0,0|1,0,0]=2 286 B11R1.222 COC(=O)C1=NC=CC=C1F CS19566 [0,1,0,0,0,0|1,0,0]=2 287 B11R1.222 COC(=O)C1=NC=CC=C1I MC431997 [0,1,0,0,0,0|1,0,0]=2 288 B11R1.222 COC(=O)C1=NC=CC=C1N CS22111 [0,1,0,0,0,0|1,0,0]=2 289 B11R1.222 COC(=O)C1=NC=CC=C1O CS21936 [0,1,0,0,0,0|1,0,0]=2 290 B11R1.222 COC(=O)C1=NC=CN=C1Br CS12415 [0,1,0,0,0,0|2,0,0]=3 291 B11R1.222 COC(=O)C1=NC=CN=C1Cl CS18208 [0,1,0,0,0,0|2,0,0]=3 292 B11R1.222 COC(=O)C1=NC=CN=C1I MC103283 [0,1,0,0,0,0|2,0,0]=3 293 B11R1.222 COC(=O)C1=NC=CN=C1N CS21912 [0,1,0,0,0,0|2,0,0]=3 294 B11R1.222 COC(=O)C1=NC=CN=C1O CS11607 [0,1,0,0,0,0|2,0,0]=3 295 B11R1.222 COC(=O)C1=NC=NC=C1Br CS12520 [0,1,0,0,0,0|2,0,0]=3 296 B11R1.222 NCC(=O)C1=C(F)C=CC=C1 CS15388 [0,1,0,0,0,0|2,0,0]=3 297 B11R1.222 NNC(=O)C1=C(F)C=CC=C1 MC429401 [0,1,0,0,0,0|2,0,0]=3 298 B11R1.222 O=C(CBr)C1=C(Cl)C=CC=C1 CS14555 [0,1,0,0,0,0|2,0,0]=3 299 B11R1.222 O=C(CBr)C1=C(O)C=CC=C1 MC41230 [0,1,0,0,0,0|2,0,0]=3 300 B11R1.222 O=C(NO)C1=C(O)C=CC=C1 CS11942 [0,1,0,0,0,0|2,0,0]=3 301 B11R2.1 BrC1=COC2=C1C=CC=C2 CS20626 [0,0,0,1,0,0|3,0,0]=4 302 B11R2.1 BrC1=NNC2=CC=CC=C21 MC442207 [0,0,0,1,0,0|3,0,0]=4 303 B11R2.1 CC1=CCC2=CC=CC=C12 MC106180 [0,0,0,1,0,0|2,0,0]=3 304 B11R2.1 CC1=CNC2=CC=CC=C12 CS11030 [0,0,0,1,0,0|3,0,0]=4 305 B11R2.1 CC1=COC2=C1C=CC=C2 MC30270 [0,0,0,1,0,0|3,0,0]=4 306 B11R2.1 CC1=NNC2=CC=CC=C21 CS17372 [0,0,0,1,0,0|3,0,0]=4 307 B11R2.1 CC1=NOC2=C1C=CC=C2 CS22352 [0,0,0,1,0,0|3,0,0]=4 308 B11R2.1 ClC1=CNC2=CC=CC=C12 MC427199 [0,0,0,1,0,0|3,0,0]=4 309 B11R2.1 ClC1=COC2=C1C=CC=C2 MC114725 [0,0,0,1,0,0|3,0,0]=4 310 B11R2.1 ClC1=NOC2=C1C=CC=C2 CS19970 [0,0,0,1,0,0|3,0,0]=4 311 B11R2.1 IC1=CSC2=C1C=CC=C2 CS22329 [0,0,0,1,0,0|3,0,0]=4 312 B11R2.1 NC1=CSC2=C1C=CC=C2 CS13998 [0,0,0,1,0,0|3,0,0]=4 313 B11R2.1 NC1=NNC2=CC=CC=C21 CS20708 [0,0,0,1,0,0|3,0,0]=4 314 B11R2.1 NC1=NOC2=C1C=CC=C2 CS20240 [0,0,0,1,0,0|3,0,0]=4 315 B11R2.1 NC1=NSC2=C1C=CC=C2 CS13975 [0,0,0,1,0,0|3,0,0]=4 316 B11R2.1 NC1CCC2=CC=CC=C21 CS16005 [0,0,0,1,0,0|2,0,1]=4 317 B11R2.1 NC1CCC2=CC=CC=C21 CS19275 [0,0,0,1,0,0|2,0,1]=4 318 B11R2.1 NC1CCC2=CC=CC=C21 CS19803 [0,0,0,1,0,0|2,0,1]=4 319 B11R2.1 NC1CCC2=CC=CC=C21 CS20307 [0,0,0,1,0,0|2,0,1]=4 320 B11R2.1 NC1CCC2=CC=CC=C21 MC425841 [0,0,0,1,0,0|2,0,1]=4 321 B11R2.1 O=C1CCC2=CC=CC=C12 CS18668 [0,0,0,1,0,0|1,0,0]=2 322 B11R2.1 O=C1CCC2=CC=CN=C12 CS10816 [0,0,0,1,0,0|2,0,0]=3 323 B11R2.1 O=C1CCC2=NC=CC=C12 CS18212 [0,0,0,1,0,0|2,0,0]=3 324 B11R2.1 O=C1COC2=C1C=CC=C2 CS20787 [0,0,0,1,0,0|2,0,0]=3 325 B11R2.1 O=C1COC2=CC=CN=C12 MC103039 [0,0,0,1,0,0|3,0,0]=4 326 B11R2.1 O=C1COC2=NC=CC=C12 MC441318 [0,0,0,1,0,0|3,0,0]=4 327 B11R2.1 O=C1CSC2=C1C=CC=C2 CS20606 [0,0,0,1,0,0|2,0,0]=3 328 B11R2.1 O=C1NCC2=CC=CC=C12 CS11515 [0,0,0,1,0,0|1,0,0]=2 329 B11R2.1 O=C1NNC2=CC=CC=C12 MC441212 [0,0,0,1,0,0|2,0,0]=3 330 B11R2.1 O=C1NNC2=CC=CN=C12 CS16829 [0,0,0,1,0,0|3,0,0]=4 331 B11R2.1 O=C1NNC2=CN=CC=C12 MC33248 [0,0,0,1,0,0|3,0,0]=4 332 B11R2.1 O=C1NNC2=NC=CC=C12 CS13662 [0,0,0,1,0,0|3,0,0]=4 333 B11R2.1 O=C1NSC2=C1C=CC=C2 CS14057 [0,0,0,1,0,0|2,0,0]=3 334 B11R2.1 O=C1OCC2=CC=CC=C12 CS11853 [0,0,0,1,0,0|0,0,0]=1 335 B11R2.1 O=C1OCC2=NC=CC=C12 CS11423 [0,0,0,1,0,0|1,0,0]=2 336 B11R2.1 O=C1SSC2=C1C=CC=C2 MC428208 [0,0,0,1,0,0|1,1,0]=3 337 B11R2.1 O=S1C=NC2=C1C=CC=C2 MC31232 [0,0,0,1,0,0|3,0,0]=4 338 B11R2.1 OC1=NOC2=C1C=CC=C2 MC442249 [0,0,0,1,0,0|2,0,1]=4 339 B11R2.40 NC1(C2=CC=CC=C2)CC1 MC425296 [0,0,0,1,0,0|2,0,1]=4 340 B9R1.11 COC(=O)C1=CC=CN1 CS17868 [0,0,0,0,1,0|1,0,0]=2 341 B9R1.11 COC(=O)C1=CC=CO1 CS11606 [0,0,0,0,1,0|1,0,0]=2 342 B9R1.11 COC(=O)C1=CC=NS1 MC106643 [0,0,0,0,1,0|2,0,0]=3 343 B9R1.11 COC(=O)C1=CCCC1 CS18911 [0,0,0,0,1,0|0,0,3]=4 344 B9R1.11 COC(=O)C1=CNC=C1 CS20729 [0,0,0,0,1,0|1,0,0]=2 345 B9R1.11 COC(=O)C1=CNC=N1 CS18794 [0,0,0,0,1,0|2,0,0]=3 346 B9R1.11 COC(=O)C1=CNN=C1 MC425198 [0,0,0,0,1,0|2,0,0]=3 347 B9R1.11 COC(=O)C1=CNN=N1 CS13476 [0,0,0,0,1,0|3,0,0]=4 348 B9R1.11 COC(=O)C1=NC=CN1 CS15200 [0,0,0,0,1,0|2,0,0]=3 349 B9R1.11 COC(=O)C1=NNC=C1 CS11588 [0,0,0,0,1,0|2,0,0]=3 350 B9R1.11 COC(=O)C1=NNC=N1 CS16131 [0,0,0,0,1,0|3,0,0]=4 351 B9R1.11 COC(=O)C1=NNN=C1 CS17729 [0,0,0,0,1,0|3,0,0]=4 352 B9R1.11 COC(=O)C1C=CCN1 MC436937 [0,0,0,0,1,0|1,0,2]=4 353 B11R1.40 CCC(=O)CC1=CC=CC=C1 MC41289 [0,0,0,0,0,1|1,0,0]=2 354 B11R1.40 COC(=O)CC1=CC=CN=N1 MC103761 [0,0,0,0,0,1|2,0,0]=3 355 B11R1.40 COC(=O)CC1=CN=NC=C1 MC101903 [0,0,0,0,0,1|2,0,0]=3 356 B11R1.40 COC(=O)CC1=NC=NC=C1 MC104059 [0,0,0,0,0,1|2,0,0]=3 357 B11R1.40 NNC(=O)CC1=CC=NC=C1 CS21751 [0,0,0,0,0,1|3,0,0]=4 358 B11R1.40 O=C(CO)CC1=CC=CC=C1 MC107738 [0,0,0,0,0,1|2,0,0]=3 359 B8R0.6 C\C=C\C=C\C(=O)OC MC446659 [1,0,1,0,0,0|0,0,1]=3 360 B8R1.2 C#CC1=CC=CC=C1 CS19127 [2,0,0,0,0,0|0,0,2]=4 361 B8R1.2 CCC1=CC=CC=C1 MC41556 [2,0,0,0,0,0|0,0,1]=3 362 B8R1.2 CCC1=CC=CN=C1 CS22277 [2,0,0,0,0,0|1,0,1]=4 363 B8R1.2 CNC1=CC=CC=C1 CS11792 [2,0,0,0,0,0|1,0,0]=3 364 B8R1.2 CNC1=CC=CN=C1 CS13856 [2,0,0,0,0,0|2,0,0]=4 365 B8R1.2 CNC1=CC=NC=C1 MC41620 [2,0,0,0,0,0|2,0,0]=4 366 B8R1.2 COC1=CC=CC=C1 MC41309 [2,0,0,0,0,0|0,0,0]=2 367 B8R1.2 COC1=CC=CN=C1 CS22348 [2,0,0,0,0,0|1,0,0]=3 368 B8R1.2 COC1=CC=CN=N1 CS22347 [2,0,0,0,0,0|2,0,0]=4 369 B8R1.2 COC1=CC=NC=C1 CS19206 [2,0,0,0,0,0|1,0,0]=3 370 B8R1.2 COC1=CN=CN=C1 MC428182 [2,0,0,0,0,0|2,0,0]=4 371 B8R1.2 COC1=CN=NC=C1 MC427243 [2,0,0,0,0,0|2,0,0]=4 372 B8R1.2 COC1=NC=CC=C1 CS18780 [2,0,0,0,0,0|1,0,0]=3 373 B8R1.2 COC1=NC=CN=C1 CS17887 [2,0,0,0,0,0|2,0,0]=4 374 B8R1.2 CSC1=CC=CC=C1 MC439137 [2,0,0,0,0,0|0,1,0]=3 375 B8R1.2 CSC1=NC=CC=C1 MC41628 [2,0,0,0,0,0|1,1,0]=4 376 B8R1.2 ICC1=CC=CC=C1 CS11000 [2,0,0,0,0,0|1,0,1]=4 377 B8R1.2 I[Zn]c1ccccc1 MC121332 [2,0,0,0,0,0|2,0,0]=4 378 B8R1.2 N#CC1=CC=CC=C1 MC40623 [2,0,0,0,0,0|1,0,1]=4 379 B8R1.2 N#Cc1ccccc1 CS13696 [2,0,0,0,0,0|1,0,1]=4 380 B8R1.2 NCC1=CC=CC=C1 MC40797 [2,0,0,0,0,0|1,0,1]=4 381 B8R1.2 NNC1=CC=CC=C1 CS15210 [2,0,0,0,0,0|2,0,0]=4 382 B8R1.2 NNC1=CC=CC=C1 MC427075 [2,0,0,0,0,0|2,0,0]=4 383 B8R1.2 O=CC1=CC=CN=N1 MC121079 [2,0,0,0,0,0|2,0,0]=4 384 B8R1.2 O=CC1=CN=CC=C1 CS19090 [2,0,0,0,0,0|1,0,0]=3 385 B8R1.2 O=CC1=CN=CN=C1 CS19643 [2,0,0,0,0,0|2,0,0]=4 386 B8R1.2 O=CC1=CN=NC=C1 MC444362 [2,0,0,0,0,0|2,0,0]=4 387 B8R1.2 O=CC1=NC=CC=C1 CS18610 [2,0,0,0,0,0|1,0,0]=3 388 B8R1.2 O=CC1=NC=CC=N1 MC444571 [2,0,0,0,0,0|2,0,0]=4 389 B8R1.2 O=CC1=NC=CN=C1 CS18375 [2,0,0,0,0,0|2,0,0]=4 390 B8R1.2 O=NC1=CC=CC=C1 MC33163 [2,0,0,0,0,0|1,0,0]=3 391 B8R1.2 OCC1=CC=CC=C1 MC40684 [2,0,0,0,0,0|0,0,1]=3 392 B8R1.2 OCC1=CC=CN=C1 CS22409 [2,0,0,0,0,0|1,0,1]=4 393 B8R1.2 OCC1=CC=NC=C1 CS19163 [2,0,0,0,0,0|1,0,1]=4 394 B8R1.2 OCC1=NC=CC=C1 CS19164 [2,0,0,0,0,0|1,0,1]=4 395 B10R1.13 C=C(C)C1=CC=C(O)C=C1 MC441020 [1,1,0,0,0,0|1,0,0]=3 396 B10R1.13 C=C(C)C1=CN=C(Cl)C=C1 MC107618 [1,1,0,0,0,0|2,0,0]=4 397 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 CS19447 [1,1,0,0,0,0|0,0,0]=2 398 B10R1.13 CC(=O)C1=CC=C(Br)N=C1 CS17999 [1,1,0,0,0,0|1,0,0]=3 399 B10R1.13 CC(=O)C1=CC=C(C)C=C1 CS13558 [1,1,0,0,0,0|0,0,0]=2 400 B10R1.13 CC(=O)C1=CC=C(C)N=N1 MC112296 [1,1,0,0,0,0|2,0,0]=4 401 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 CS20014 [1,1,0,0,0,0|0,0,0]=2 402 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 CS19687 [1,1,0,0,0,0|1,0,0]=3 403 B10R1.13 CC(=O)C1=CC=C(Cl)N=N1 MC104987 [1,1,0,0,0,0|2,0,0]=4 404 B10R1.13 CC(=O)C1=CC=C(F)C=C1 CS14299 [1,1,0,0,0,0|0,0,0]=2 405 B10R1.13 CC(=O)C1=CC=C(F)N=C1 CS16982 [1,1,0,0,0,0|1,0,0]=3 406 B10R1.13 CC(=O)C1=CC=C(N)C=C1 MC20162 [1,1,0,0,0,0|0,0,0]=2 407 B10R1.13 CC(=O)C1=CC=C(O)C=C1 CS22884 [1,1,0,0,0,0|0,0,0]=2 408 B10R1.13 CC(=O)C1=CC=C(O)N=C1 CS12692 [1,1,0,0,0,0|1,0,0]=3 409 B10R1.13 CC(=O)C1=CN=C(C)C=C1 MC428167 [1,1,0,0,0,0|1,0,0]=3 410 B10R1.13 CC(=O)C1=CN=C(C)N=C1 MC444074 [1,1,0,0,0,0|2,0,0]=4 411 B10R1.13 CC(=O)C1=CN=C(N)N=C1 CS17494 [1,1,0,0,0,0|2,0,0]=4 412 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 CS16977 [1,1,0,0,0,0|1,0,0]=3 413 B10R1.13 CC(=O)C1=NC=C(Br)C=N1 CS17050 [1,1,0,0,0,0|2,0,0]=4 414 B10R1.13 CC(=O)C1=NC=C(C)C=C1 MC443649 [1,1,0,0,0,0|1,0,0]=3 415 B10R1.13 CC(=O)C1=NC=C(C)N=C1 MC444078 [1,1,0,0,0,0|2,0,0]=4 416 B10R1.13 CC(=O)C1=NC=C(Cl)C=C1 CS16979 [1,1,0,0,0,0|1,0,0]=3 417 B10R1.13 CC(=O)C1=NC=C(Cl)N=C1 CS14519 [1,1,0,0,0,0|2,0,0]=4 418 B10R1.13 CC(=O)C1=NC=C(F)C=C1 MC106404 [1,1,0,0,0,0|1,0,0]=3 419 B10R1.13 CC(=O)C1=NC=C(N)C=C1 MC442802 [1,1,0,0,0,0|1,0,0]=3 420 B10R1.13 CC(=O)c1ccc(I)cc1 MC433245 [1,1,0,0,0,0|0,0,0]=2 421 B10R1.13 CC(Br)C1=CC=C(F)C=C1 CS16140 [1,1,0,0,0,0|1,0,1]=4 422 B10R1.13 CC(C)C1=CC=C(Br)C=C1 CS19162 [1,1,0,0,0,0|1,0,1]=4 423 B10R1.13 CC(C)C1=CC=C(N)C=C1 CS22915 [1,1,0,0,0,0|1,0,1]=4 424 B10R1.13 CC(N)C1=CC=C(Br)C=C1 CS10540 [1,1,0,0,0,0|1,0,1]=4 425 B10R1.13 CC(N)C1=CC=C(Br)C=C1 CS20256 [1,1,0,0,0,0|1,0,1]=4 426 B10R1.13 CC(N)C1=CC=C(F)C=C1 CS19253 [1,1,0,0,0,0|1,0,1]=4 427 B10R1.13 CC(N)C1=CC=C(F)C=C1 MC40832 [1,1,0,0,0,0|1,0,1]=4 428 B10R1.13 CC(N)C1=CC=C(F)C=C1 MC429424 [1,1,0,0,0,0|1,0,1]=4 429 B10R1.13 CC(N)C1=CC=C(I)C=C1 MC113505 [1,1,0,0,0,0|1,0,1]=4 430 B10R1.13 CC(N)C1=CC=C(N)C=C1 CS22422 [1,1,0,0,0,0|1,0,1]=4 431 B10R1.13 CC(N)c1ccc(Cl)cc1 MC433903 [1,1,0,0,0,0|1,0,1]=4 432 B10R1.13 CC(O)C1=CC=C(F)C=C1 MC33129 [1,1,0,0,0,0|0,0,2]=4 433 B10R1.13 CC(O)C1=CC=C(N)C=C1 MC40728 [1,1,0,0,0,0|0,0,2]=4 434 B10R1.13 CC1=CC=C(B(O)O)C=C1 CS10128 [1,1,0,0,0,0|1,0,1]=4 435 B10R1.13 CC1=CC=C(C(=N)N)C=C1 CS20439 [1,1,0,0,0,0|2,0,0]=4 436 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 MC40494 [1,1,0,0,0,0|1,0,0]=3 437 B10R1.13 CC1=CC=C(C(=O)O)C=C1 MC40304 [1,1,0,0,0,0|0,0,0]=2 438 B10R1.13 CC1=CC=C(C(N)=O)C=C1 CS11895 [1,1,0,0,0,0|1,0,0]=3 439 B10R1.13 CC1=CC=C(S(=O)[O-])C=C1 CS11896 [1,1,0,0,0,0|1,0,1]=4 440 B10R1.13 CC1=CC=C(S(N)=O)C=C1 CS18822 [1,1,0,0,0,0|2,0,0]=4 441 B10R1.13 CC1=CN=C(C(=O)O)C=C1 CS10458 [1,1,0,0,0,0|1,0,0]=3 442 B10R1.13 CC1=CN=C(C(=O)O)C=C1 CS17310 [1,1,0,0,0,0|1,0,0]=3 443 B10R1.13 CC1=CN=C(C(=O)O)C=N1 CS19370 [1,1,0,0,0,0|2,0,0]=4 444 B10R1.13 CC1=CN=C(C(=O)O)N=C1 CS21764 [1,1,0,0,0,0|2,0,0]=4 445 B10R1.13 CC1=NC=C(C(=O)O)C=C1 CS20324 [1,1,0,0,0,0|1,0,0]=3 446 B10R1.13 CC1=NC=C(C(=O)O)C=N1 CS21698 [1,1,0,0,0,0|2,0,0]=4 447 B10R1.13 CC1=NC=C(C(N)=O)C=C1 CS18427 [1,1,0,0,0,0|2,0,0]=4 448 B10R1.13 CN(C)C1=CC=C(Br)C=C1 CS15132 [1,1,0,0,0,0|2,0,0]=4 449 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 MC20289 [1,1,0,0,0,0|2,0,0]=4 450 B10R1.13 CN(C)C1=CC=C(I)C=C1 CS16430 [1,1,0,0,0,0|2,0,0]=4 451 B10R1.13 CN(C)C1=CC=C(O)C=C1 CS16528 [1,1,0,0,0,0|2,0,0]=4 452 B10R1.13 CN(C)C1=CC=C(O)C=C1 MC442505 [1,1,0,0,0,0|2,0,0]=4 453 B10R1.13 Cc1ccc(C(C)C)cc1 MC444976 [1,1,0,0,0,0|1,0,1]=4 454 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 MC21022 [1,1,0,0,0,0|2,0,0]=4 455 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 CS20283 [1,1,0,0,0,0|2,0,0]=4 456 B10R1.13 N=C(N)C1=CC=C(F)C=C1 CS18318 [1,1,0,0,0,0|2,0,0]=4 457 B10R1.13 N=C(N)C1=CC=C(N)C=C1 CS21974 [1,1,0,0,0,0|2,0,0]=4 458 B10R1.13 NC(=O)C1=CC=C(F)C=C1 CS10426 [1,1,0,0,0,0|1,0,0]=3 459 B10R1.13 NC(=O)C1=CN=C(N)C=C1 MC425266 [1,1,0,0,0,0|2,0,0]=4 460 B10R1.13 NC(=O)C1=CNC(=O)C=C1 MC427340 [1,1,0,0,0,0|2,0,0]=4 461 B10R1.13 NC(=O)C1=NC=C(Br)C=C1 MC41603 [1,1,0,0,0,0|2,0,0]=4 462 B10R1.13 NC(=O)C1=NC=C(Cl)C=C1 MC33351 [1,1,0,0,0,0|2,0,0]=4 463 B10R1.13 NC(=O)C1=NC=C(F)C=C1 CS16336 [1,1,0,0,0,0|2,0,0]=4 464 B10R1.13 NC(=O)C1=NC=C(N)C=C1 CS10223 [1,1,0,0,0,0|2,0,0]=4 465 B10R1.13 NC(=S)C1=CC=C(O)C=C1 CS20343 [1,1,0,0,0,0|1,1,0]=4 466 B10R1.13 NC1=CC=C(B(O)O)C=C1 CS19513 [1,1,0,0,0,0|1,0,1]=4 467 B10R1.13 NC1=CC=C(B(O)O)C=C1 MC442888 [1,1,0,0,0,0|1,0,1]=4 468 B10R1.13 NC1=CC=C(C(=O)O)C=C1 MC40224 [1,1,0,0,0,0|0,0,0]=2 469 B10R1.13 NC1=CC=C(C(=O)O)N=N1 MC444236 [1,1,0,0,0,0|2,0,0]=4 470 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 CS22580 [1,1,0,0,0,0|0,0,1]=3 471 B10R1.13 NC1=CC=C([N+](=O)[O-])C=C1 MC40934 [1,1,0,0,0,0|1,0,1]=4 472 B10R1.13 NC1=CN=C(C(=O)O)C=C1 CS19367 [1,1,0,0,0,0|1,0,0]=3 473 B10R1.13 NC1=CN=C(C(=O)O)C=N1 CS14292 [1,1,0,0,0,0|2,0,0]=4 474 B10R1.13 NC1=CN=C(C(=O)O)N=C1 MC115893 [1,1,0,0,0,0|2,0,0]=4 475 B10R1.13 NC1=NC=C(C(=O)O)C=C1 CS19354 [1,1,0,0,0,0|1,0,0]=3 476 B10R1.13 NC1=NC=C(C(=O)O)C=N1 CS18230 [1,1,0,0,0,0|2,0,0]=4 477 B10R1.13 O=C(Cl)C1=CC=C(Br)C=C1 MC40440 [1,1,0,0,0,0|1,0,0]=3 478 B10R1.13 O=C(Cl)C1=CC=C(F)C=C1 MC40474 [1,1,0,0,0,0|1,0,0]=3 479 B10R1.13 O=C(Cl)C1=CC=C(I)C=C1 MC433701 [1,1,0,0,0,0|1,0,0]=3 480 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 CS20082 [1,1,0,0,0,0|0,0,0]=2 481 B10R1.13 O=C(O)C1=CC=C(Br)N=N1 MC431375 [1,1,0,0,0,0|2,0,0]=4 482 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 CS15821 [1,1,0,0,0,0|0,0,0]=2 483 B10R1.13 O=C(O)C1=CC=C(Cl)N=N1 MC444427 [1,1,0,0,0,0|2,0,0]=4 484 B10R1.13 O=C(O)C1=CC=C(F)C=C1 MC40280 [1,1,0,0,0,0|0,0,0]=2 485 B10R1.13 O=C(O)C1=CC=C(I)C=C1 CS20135 [1,1,0,0,0,0|0,0,0]=2 486 B10R1.13 O=C(O)C1=CC=C(O)C=C1 CS22885 [1,1,0,0,0,0|0,0,0]=2 487 B10R1.13 O=C(O)C1=CC=C(O)N=N1 CS17550 [1,1,0,0,0,0|2,0,0]=4 488 B10R1.13 O=C(O)C1=CN=C(Br)C=C1 CS22092 [1,1,0,0,0,0|1,0,0]=3 489 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 CS22101 [1,1,0,0,0,0|1,0,0]=3 490 B10R1.13 O=C(O)C1=CN=C(Cl)N=C1 CS18270 [1,1,0,0,0,0|2,0,0]=4 491 B10R1.13 O=C(O)C1=CN=C(F)C=C1 CS18891 [1,1,0,0,0,0|1,0,0]=3 492 B10R1.13 O=C(O)C1=CN=C(O)C=C1 CS19189 [1,1,0,0,0,0|1,0,0]=3 493 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 CS22033 [1,1,0,0,0,0|1,0,0]=3 494 B10R1.13 O=C(O)C1=NC=C(Br)C=N1 CS14223 [1,1,0,0,0,0|2,0,0]=4 495 B10R1.13 O=C(O)C1=NC=C(Br)N=C1 CS12377 [1,1,0,0,0,0|2,0,0]=4 496 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 CS19376 [1,1,0,0,0,0|1,0,0]=3 497 B10R1.13 O=C(O)C1=NC=C(Cl)C=N1 CS14727 [1,1,0,0,0,0|2,0,0]=4 498 B10R1.13 O=C(O)C1=NC=C(Cl)N=C1 CS10354 [1,1,0,0,0,0|2,0,0]=4 499 B10R1.13 O=C(O)C1=NC=C(F)C=C1 CS10387 [1,1,0,0,0,0|1,0,0]=3 500 B10R1.13 O=C(O)C1=NC=C(F)C=N1 MC103707 [1,1,0,0,0,0|2,0,0]=4 501 B10R1.13 O=C(O)C1=NC=C(I)C=C1 CS10412 [1,1,0,0,0,0|1,0,0]=3 502 B10R1.13 O=C(O)C1=NC=C(O)C=C1 CS22997 [1,1,0,0,0,0|1,0,0]=3 503 B10R1.13 O=C(O)C1=NC=C(O)C=N1 MC105798 [1,1,0,0,0,0|2,0,0]=4 504 B10R1.13 O=C([O-])C1=CC=C(Br)C=C1 MC40334 [1,1,0,0,0,0|0,0,1]=3 505 B10R1.13 O=C([O-])C1=CC=C(Cl)C=C1 MC40337 [1,1,0,0,0,0|0,0,1]=3 506 B10R1.13 O=C([O-])C1=CC=C(F)C=C1 MC40351 [1,1,0,0,0,0|0,0,1]=3 507 B10R1.13 O=[N+]([O-])C1=CC=C(Br)C=C1 CS18786 [1,1,0,0,0,0|1,0,1]=4 508 B10R1.13 O=[N+]([O-])C1=CC=C(F)C=C1 CS22843 [1,1,0,0,0,0|1,0,1]=4 509 B10R1.13 O=[N+]([O-])C1=CC=C(I)C=C1 CS19234 [1,1,0,0,0,0|1,0,1]=4 510 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 MC41207 [1,1,0,0,0,0|1,0,1]=4 511 B10R1.13 O=[N+]([O-])c1ccc(Cl)cc1 MC41577 [1,1,0,0,0,0|1,0,1]=4 512 B10R1.13 OB(O)C1=CC=C(Br)C=C1 CS19222 [1,1,0,0,0,0|1,0,1]=4 513 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 CS19227 [1,1,0,0,0,0|1,0,1]=4 514 B10R1.13 OB(O)C1=CC=C(F)C=C1 CS23000 [1,1,0,0,0,0|1,0,1]=4 515 B10R1.13 OB(O)C1=CC=C(I)C=C1 CS22011 [1,1,0,0,0,0|1,0,1]=4 516 B10R1.13 OB(O)C1=CC=C(O)C=C1 CS19452 [1,1,0,0,0,0|1,0,1]=4 517 B10R1.13 OB(O)C1=CC=C(S)C=C1 MC20067 [1,1,0,0,0,0|1,0,1]=4 518 B10R1.28 CC(C)(C)C1=CC=CC=C1 MC41559 [1,1,0,0,0,0|1,0,1]=4 519 B10R1.28 CS(=O)(=O)C1=CC=CC=C1 MC100403 [1,1,0,0,0,0|1,0,0]=3 520 B10R1.28 CS(=O)(=O)C1=CC=NC=C1 MC33441 [1,1,0,0,0,0|2,0,0]=4 521 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 CS12052 [1,1,0,0,0,0|2,0,0]=4 522 B10R1.28 C[Si](C)(Cl)C1=CC=CC=C1 CS11135 [1,1,0,0,0,0|1,1,0]=4 523 B10R1.28 NS(=O)(=O)C1=CC=CC=C1 CS10507 [1,1,0,0,0,0|1,0,1]=4 524 B10R1.28 O=P(Cl)(Cl)C1=CC=CC=C1 MC20369 [1,1,0,0,0,0|2,0,0]=4 525 B10R1.28 O=S(=O)(O)C1=CC=CN=C1 CS15426 [1,1,0,0,0,0|2,0,0]=4 526 B10R1.28 O=S(=O)(O)C1=CC=NC=C1 MC111106 [1,1,0,0,0,0|2,0,0]=4 527 B10R1.28 O=S(=O)([O-])C1=CC=CC=C1 CS19698 [1,1,0,0,0,0|1,0,1]=4 528 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 CS18866 [1,1,0,0,0,0|0,0,0]=2 529 B10R1.61 CC(=O)C1=C(C)C=CC=C1 CS19710 [1,1,0,0,0,0|0,0,0]=2 530 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 MC41234 [1,1,0,0,0,0|0,0,0]=2 531 B10R1.61 CC(=O)C1=C(F)C=CC=C1 CS15490 [1,1,0,0,0,0|0,0,0]=2 532 B10R1.61 CC(=O)C1=C(F)C=NC=C1 MC113260 [1,1,0,0,0,0|1,0,0]=3 533 B10R1.61 CC(=O)C1=C(N)C=CC=C1 CS19948 [1,1,0,0,0,0|0,0,0]=2 534 B10R1.61 CC(=O)C1=C(N)C=NC=C1 MC427146 [1,1,0,0,0,0|1,0,0]=3 535 B10R1.61 CC(=O)C1=C(O)C=CC=C1 CS15026 [1,1,0,0,0,0|0,0,0]=2 536 B10R1.61 CC(=O)C1=C(O)C=NC=C1 MC427306 [1,1,0,0,0,0|1,0,0]=3 537 B10R1.61 CC(=O)C1=CC=CN=C1Br CS18506 [1,1,0,0,0,0|1,0,0]=3 538 B10R1.61 CC(=O)C1=CC=CN=C1Cl CS18365 [1,1,0,0,0,0|1,0,0]=3 539 B10R1.61 CC(=O)C1=CC=CN=C1O MC427454 [1,1,0,0,0,0|1,0,0]=3 540 B10R1.61 CC(=O)C1=CN=CN=C1C CS17792 [1,1,0,0,0,0|2,0,0]=4 541 B10R1.61 CC(=O)C1=NC=CC=C1Br CS16209 [1,1,0,0,0,0|1,0,0]=3 542 B10R1.61 CC(=O)C1=NC=CC=C1Cl MC425055 [1,1,0,0,0,0|1,0,0]=3 543 B10R1.61 CC(=O)C1=NC=CC=C1F CS16198 [1,1,0,0,0,0|1,0,0]=3 544 B10R1.61 CC(=O)C1=NC=CC=C1O CS14450 [1,1,0,0,0,0|1,0,0]=3 545 B10R1.61 CC(=O)C1=NC=CN=C1Cl MC444224 [1,1,0,0,0,0|2,0,0]=4 546 B10R1.61 CC(=O)C1=NC=CN=C1N CS15534 [1,1,0,0,0,0|2,0,0]=4 547 B10R1.61 CC(=O)C1=NC=NC=C1Br MC115898 [1,1,0,0,0,0|2,0,0]=4 548 B10R1.61 CC(C)C1=C(Br)C=CC=C1 CS19988 [1,1,0,0,0,0|1,0,1]=4 549 B10R1.61 CC(N)C1=C(Br)C=CC=C1 CS20301 [1,1,0,0,0,0|1,0,1]=4 550 B10R1.61 CC(N)C1=C(F)C=CC=C1 CS20318 [1,1,0,0,0,0|1,0,1]=4 551 B10R1.61 CC(N)C1=C(F)C=CC=C1 MC429423 [1,1,0,0,0,0|1,0,1]=4 552 B10R1.61 CC(O)C1=C(Cl)C=CC=C1 CS13547 [1,1,0,0,0,0|0,0,2]=4 553 B10R1.61 CC(O)C1=C(F)C=CC=C1 CS15513 [1,1,0,0,0,0|0,0,2]=4 554 B10R1.61 CC(O)C1=C(F)C=CC=C1 MC33138 [1,1,0,0,0,0|0,0,2]=4 555 B10R1.61 CC1=C(B(O)O)C=CC=C1 CS20397 [1,1,0,0,0,0|1,0,1]=4 556 B10R1.61 CC1=C(C(=O)O)C=CC=C1 CS19823 [1,1,0,0,0,0|0,0,0]=2 557 B10R1.61 CC1=C(C(=O)O)C=CC=N1 CS18975 [1,1,0,0,0,0|1,0,0]=3 558 B10R1.61 CC1=C(C(=O)O)C=CN=C1 CS22360 [1,1,0,0,0,0|1,0,0]=3 559 B10R1.61 CC1=C(C(=O)O)C=CN=N1 MC104787 [1,1,0,0,0,0|2,0,0]=4 560 B10R1.61 CC1=C(C(=O)O)N=NC=C1 MC104743 [1,1,0,0,0,0|2,0,0]=4 561 B10R1.61 CC1=C(C(N)=O)C=CC=N1 CS22408 [1,1,0,0,0,0|2,0,0]=4 562 B10R1.61 CC1=C(C(N)=O)C=NC=C1 MC33526 [1,1,0,0,0,0|2,0,0]=4 563 B10R1.61 CC1=C([N+](=O)[O-])C=CC=C1 MC41522 [1,1,0,0,0,0|1,0,1]=4 564 B10R1.61 CC1=CC=CN=C1C(=O)O CS19680 [1,1,0,0,0,0|1,0,0]=3 565 B10R1.61 CC1=CC=NC=C1C(=O)O CS22976 [1,1,0,0,0,0|1,0,0]=3 566 B10R1.61 CC1=CC=NC=C1C(=O)O CS22977 [1,1,0,0,0,0|1,0,0]=3 567 B10R1.61 CC1=CN=NC=C1C(=O)O MC101944 [1,1,0,0,0,0|2,0,0]=4 568 B10R1.61 CC1=NC=CN=C1C(=O)O CS19744 [1,1,0,0,0,0|2,0,0]=4 569 B10R1.61 CN(C)C1=C(Br)C=CC=C1 MC20183 [1,1,0,0,0,0|2,0,0]=4 570 B10R1.61 CN(C)C1=C(Cl)C=CC=C1 MC20288 [1,1,0,0,0,0|2,0,0]=4 571 B10R1.61 CN(C)C1=C(F)C=CC=C1 MC20285 [1,1,0,0,0,0|2,0,0]=4 572 B10R1.61 CN(C)C1=C(O)C=CC=C1 CS14782 [1,1,0,0,0,0|2,0,0]=4 573 B10R1.61 CN(C)C1=CC=CC=C1N CS14204 [1,1,0,0,0,0|2,0,0]=4 574 B10R1.61 Cc1ccccc1C(C)Br MC106119 [1,1,0,0,0,0|1,0,1]=4 575 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 CS20174 [1,1,0,0,0,0|1,0,0]=3 576 B10R1.61 NC(=O)C1=C(Br)C=NC=C1 CS12247 [1,1,0,0,0,0|2,0,0]=4 577 B10R1.61 NC(=O)C1=C(Br)N=CC=C1 CS21404 [1,1,0,0,0,0|2,0,0]=4 578 B10R1.61 NC(=O)C1=C(F)C=CC=C1 MC41021 [1,1,0,0,0,0|1,0,0]=3 579 B10R1.61 NC(=O)C1=C(I)C=CC=C1 MC433808 [1,1,0,0,0,0|1,0,0]=3 580 B10R1.61 NC(=O)C1=C(N)C=NC=C1 CS22071 [1,1,0,0,0,0|2,0,0]=4 581 B10R1.61 NC(=O)C1=C(N)N=CC=C1 CS22407 [1,1,0,0,0,0|2,0,0]=4 582 B10R1.61 NC(=O)C1=C(O)C=CC=C1 CS11941 [1,1,0,0,0,0|1,0,0]=3 583 B10R1.61 NC(=O)C1=CC=CN=C1Cl CS19049 [1,1,0,0,0,0|2,0,0]=4 584 B10R1.61 NC(=O)C1=CN=CC=C1Cl CS22796 [1,1,0,0,0,0|2,0,0]=4 585 B10R1.61 NC(=O)C1=NC=CC=C1N CS18340 [1,1,0,0,0,0|2,0,0]=4 586 B10R1.61 NC1=C(B(O)O)C=CC=C1 CS19508 [1,1,0,0,0,0|1,0,1]=4 587 B10R1.61 NC1=C(C(=O)O)C=CC=N1 CS21827 [1,1,0,0,0,0|1,0,0]=3 588 B10R1.61 NC1=C(C(=O)O)C=CN=C1 CS17968 [1,1,0,0,0,0|1,0,0]=3 589 B10R1.61 NC1=C(C(=O)O)C=CN=C1 CS21908 [1,1,0,0,0,0|1,0,0]=3 590 B10R1.61 NC1=C(C(=O)O)C=CN=N1 CS18162 [1,1,0,0,0,0|2,0,0]=4 591 B10R1.61 NC1=C(C(=O)O)N=NC=C1 MC427245 [1,1,0,0,0,0|2,0,0]=4 592 B10R1.61 NC1=C([N+](=O)[O-])C=CC=C1 MC40933 [1,1,0,0,0,0|1,0,1]=4 593 B10R1.61 NC1=CC=CN=C1C(=O)O CS17409 [1,1,0,0,0,0|1,0,0]=3 594 B10R1.61 NC1=CC=CN=C1C(=O)O CS19360 [1,1,0,0,0,0|1,0,0]=3 595 B10R1.61 NC1=CC=NC=C1C(=O)O CS21982 [1,1,0,0,0,0|1,0,0]=3 596 B10R1.61 NC1=NC=CN=C1C(=O)O CS22108 [1,1,0,0,0,0|2,0,0]=4 597 B10R1.61 O=C(Cl)C1=C(Br)C=CC=C1 MC40438 [1,1,0,0,0,0|1,0,0]=3 598 B10R1.61 O=C(Cl)C1=C(F)C=CC=C1 MC40472 [1,1,0,0,0,0|1,0,0]=3 599 B10R1.61 O=C(Cl)C1=C(I)C=CC=C1 CS19188 [1,1,0,0,0,0|1,0,0]=3 600 B10R1.61 O=C(O)C1=C(Br)C=CC=C1 CS16216 [1,1,0,0,0,0|0,0,0]=2 601 B10R1.61 O=C(O)C1=C(Br)C=NC=C1 CS22916 [1,1,0,0,0,0|1,0,0]=3 602 B10R1.61 O=C(O)C1=C(Br)N=CC=C1 CS22912 [1,1,0,0,0,0|1,0,0]=3 603 B10R1.61 O=C(O)C1=C(Cl)C=NC=C1 CS16220 [1,1,0,0,0,0|1,0,0]=3 604 B10R1.61 O=C(O)C1=C(Cl)N=CC=C1 CS18848 [1,1,0,0,0,0|1,0,0]=3 605 B10R1.61 O=C(O)C1=C(F)C=CC=C1 CS10366 [1,1,0,0,0,0|0,0,0]=2 606 B10R1.61 O=C(O)C1=C(F)C=NC=C1 CS19033 [1,1,0,0,0,0|1,0,0]=3 607 B10R1.61 O=C(O)C1=C(F)N=CC=C1 CS18890 [1,1,0,0,0,0|1,0,0]=3 608 B10R1.61 O=C(O)C1=C(I)C=CC=C1 CS20137 [1,1,0,0,0,0|0,0,0]=2 609 B10R1.61 O=C(O)C1=C(I)N=CC=C1 MC443233 [1,1,0,0,0,0|1,0,0]=3 610 B10R1.61 O=C(O)C1=C(O)C=CC=C1 MC40289 [1,1,0,0,0,0|0,0,0]=2 611 B10R1.61 O=C(O)C1=C(O)C=NC=C1 CS22995 [1,1,0,0,0,0|1,0,0]=3 612 B10R1.61 O=C(O)C1=C(S)C=CC=C1 MC40297 [1,1,0,0,0,0|0,0,0]=2 613 B10R1.61 O=C(O)C1=CC=CNC1=O CS19183 [1,1,0,0,0,0|1,0,0]=3 614 B10R1.61 O=C(O)C1=CN=CC=C1Br MC10387 [1,1,0,0,0,0|1,0,0]=3 615 B10R1.61 O=C(O)C1=CN=CC=C1Cl CS18850 [1,1,0,0,0,0|1,0,0]=3 616 B10R1.61 O=C(O)C1=CN=CC=C1I MC442349 [1,1,0,0,0,0|1,0,0]=3 617 B10R1.61 O=C(O)C1=CN=CC=C1O CS15271 [1,1,0,0,0,0|1,0,0]=3 618 B10R1.61 O=C(O)C1=CN=CN=C1O CS12936 [1,1,0,0,0,0|2,0,0]=4 619 B10R1.61 O=C(O)C1=NC=CC=C1Br CS22914 [1,1,0,0,0,0|1,0,0]=3 620 B10R1.61 O=C(O)C1=NC=CC=C1Cl CS15072 [1,1,0,0,0,0|1,0,0]=3 621 B10R1.61 O=C(O)C1=NC=CC=C1F CS18754 [1,1,0,0,0,0|1,0,0]=3 622 B10R1.61 O=C(O)C1=NC=CC=C1I CS12162 [1,1,0,0,0,0|1,0,0]=3 623 B10R1.61 O=C(O)C1=NC=CC=C1O CS22996 [1,1,0,0,0,0|1,0,0]=3 624 B10R1.61 O=C(O)C1=NC=CN=C1Br CS12631 [1,1,0,0,0,0|2,0,0]=4 625 B10R1.61 O=C(O)C1=NC=CN=C1Cl CS17325 [1,1,0,0,0,0|2,0,0]=4 626 B10R1.61 O=C(O)C1=NC=CN=C1I CS14926 [1,1,0,0,0,0|2,0,0]=4 627 B10R1.61 O=C(O)C1=NC=CN=C1O CS17542 [1,1,0,0,0,0|2,0,0]=4 628 B10R1.61 O=C(O)C1=NC=NC=C1Br CS19718 [1,1,0,0,0,0|2,0,0]=4 629 B10R1.61 O=C([O-])C1=C(Cl)C=CC=C1 MC40335 [1,1,0,0,0,0|0,0,1]=3 630 B10R1.61 O=C([O-])C1=C(F)C=CC=C1 MC40349 [1,1,0,0,0,0|0,0,1]=3 631 B10R1.61 O=[N+]([O-])C1=C(Br)C=CC=C1 CS22913 [1,1,0,0,0,0|1,0,1]=4 632 B10R1.61 O=[N+]([O-])C1=C(O)C=CC=C1 CS21724 [1,1,0,0,0,0|1,0,1]=4 633 B10R1.61 O=[N+]([O-])c1ccccc1F MC41584 [1,1,0,0,0,0|1,0,1]=4 634 B10R1.61 O=[N+]([O-])c1ccccc1F MC433531 [1,1,0,0,0,0|1,0,1]=4 635 B10R1.61 O=[N+]([O-])c1ccccc1I MC41585 [1,1,0,0,0,0|1,0,1]=4 636 B10R1.61 OB(O)C1=C(Br)C=CC=C1 CS21842 [1,1,0,0,0,0|1,0,1]=4 637 B10R1.61 OB(O)C1=C(Cl)C=CC=C1 CS19224 [1,1,0,0,0,0|1,0,1]=4 638 B10R1.61 OB(O)C1=C(F)C=CC=C1 CS16291 [1,1,0,0,0,0|1,0,1]=4 639 B10R1.61 OB(O)C1=C(I)C=CC=C1 MC443194 [1,1,0,0,0,0|1,0,1]=4 640 B10R1.61 OB(O)C1=C(O)C=CC=C1 CS21880 [1,1,0,0,0,0|1,0,1]=4 641 B10R1.61 OB(O)C1=C(S)C=CC=C1 MC100433 [1,1,0,0,0,0|1,0,1]=4 642 B10R1.113 C=C(C)C1=CN=CC(Br)=C1 CS14839 [1,1,0,0,0,0|2,0,0]=4 643 B10R1.113 C=C(C)C1=CN=CC(Br)=C1 MC113271 [1,1,0,0,0,0|2,0,0]=4 644 B10R1.113 CC(=O)C1=CC(Br)=CC=C1 CS18865 [1,1,0,0,0,0|0,0,0]=2 645 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 CS18282 [1,1,0,0,0,0|1,0,0]=3 646 B10R1.113 CC(=O)C1=CC(C)=CN=C1 CS16656 [1,1,0,0,0,0|1,0,0]=3 647 B10R1.113 CC(=O)C1=CC(C)=NC=C1 CS18206 [1,1,0,0,0,0|1,0,0]=3 648 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 CS19798 [1,1,0,0,0,0|0,0,0]=2 649 B10R1.113 CC(=O)C1=CC(Cl)=CN=C1 MC116273 [1,1,0,0,0,0|1,0,0]=3 650 B10R1.113 CC(=O)C1=CC(F)=CC=C1 CS19067 [1,1,0,0,0,0|0,0,0]=2 651 B10R1.113 CC(=O)C1=CC(F)=CN=C1 MC443199 [1,1,0,0,0,0|1,0,0]=3 652 B10R1.113 CC(=O)C1=CC(I)=CC=C1 MC33049 [1,1,0,0,0,0|0,0,0]=2 653 B10R1.113 CC(=O)C1=CC(N)=CC=C1 CS19441 [1,1,0,0,0,0|0,0,0]=2 654 B10R1.113 CC(=O)C1=CC(O)=CC=C1 CS18681 [1,1,0,0,0,0|0,0,0]=2 655 B10R1.113 CC(=O)C1=CC=CC(C)=C1 CS19159 [1,1,0,0,0,0|0,0,0]=2 656 B10R1.113 CC(=O)C1=NC(Br)=CC=C1 CS17202 [1,1,0,0,0,0|1,0,0]=3 657 B10R1.113 CC(=O)C1=NC(C)=CC=C1 CS18426 [1,1,0,0,0,0|1,0,0]=3 658 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 MC441210 [1,1,0,0,0,0|1,0,0]=3 659 B10R1.113 CC(=O)C1=NC=CC(F)=C1 MC430529 [1,1,0,0,0,0|1,0,0]=3 660 B10R1.113 CC(=O)C1=NC=CC(O)=N1 MC430457 [1,1,0,0,0,0|2,0,0]=4 661 B10R1.113 CC(C)c1cccc(Br)c1 MC433484 [1,1,0,0,0,0|1,0,1]=4 662 B10R1.113 CC(N)C1=CC(F)=CC=C1 CS19312 [1,1,0,0,0,0|1,0,1]=4 663 B10R1.113 CC(N)C1=CC(F)=CC=C1 CS19671 [1,1,0,0,0,0|1,0,1]=4 664 B10R1.113 CC(N)C1=CC(F)=CC=C1 CS20262 [1,1,0,0,0,0|1,0,1]=4 665 B10R1.113 CC(N)C1=CC(F)=CC=C1 MC429421 [1,1,0,0,0,0|1,0,1]=4 666 B10R1.113 CC(N)C1=CC=CC(N)=C1 MC116025 [1,1,0,0,0,0|1,0,1]=4 667 B10R1.113 CC(N)C1=CC=CC(O)=C1 MC431437 [1,1,0,0,0,0|1,0,1]=4 668 B10R1.113 CC(O)C1=CC(Br)=CC=C1 MC40729 [1,1,0,0,0,0|0,0,2]=4 669 B10R1.113 CC(O)C1=CC(F)=CC=C1 MC433887 [1,1,0,0,0,0|0,0,2]=4 670 B10R1.113 CC(O)C1=CC(N)=CC=C1 CS21787 [1,1,0,0,0,0|0,0,2]=4 671 B10R1.113 CC1=CC(B(O)O)=CC=C1 CS10529 [1,1,0,0,0,0|1,0,1]=4 672 B10R1.113 CC1=CC(C(=O)O)=CN=C1 CS20319 [1,1,0,0,0,0|1,0,0]=3 673 B10R1.113 CC1=CC(C(=O)O)=NC=C1 CS22984 [1,1,0,0,0,0|1,0,0]=3 674 B10R1.113 CC1=CC(C(C)N)=CC=C1 CS17345 [1,1,0,0,0,0|1,0,1]=4 675 B10R1.113 CC1=CC(C(N)=O)=CN=C1 MC33520 [1,1,0,0,0,0|2,0,0]=4 676 B10R1.113 CC1=CC=CC(C(=N)N)=C1 CS20438 [1,1,0,0,0,0|2,0,0]=4 677 B10R1.113 CC1=CC=CC(C(=O)Cl)=C1 MC20748 [1,1,0,0,0,0|1,0,0]=3 678 B10R1.113 CC1=CC=CC(C(=O)O)=C1 CS19799 [1,1,0,0,0,0|0,0,0]=2 679 B10R1.113 CC1=CC=CC(C(=O)O)=N1 CS16317 [1,1,0,0,0,0|1,0,0]=3 680 B10R1.113 CC1=CC=CC(C(O)=S)=C1 MC433710 [1,1,0,0,0,0|0,1,0]=3 681 B10R1.113 CC1=NC(C(=O)O)=CN=C1 MC10465 [1,1,0,0,0,0|2,0,0]=4 682 B10R1.113 CC1=NC(C(=O)O)=NC=C1 MC104691 [1,1,0,0,0,0|2,0,0]=4 683 B10R1.113 CC1=NC=CC(C(=O)O)=C1 CS19546 [1,1,0,0,0,0|1,0,0]=3 684 B10R1.113 CC1=NC=CC(C(=O)O)=N1 CS19716 [1,1,0,0,0,0|2,0,0]=4 685 B10R1.113 CN(C)C1=CC(Br)=CC=C1 MC40867 [1,1,0,0,0,0|2,0,0]=4 686 B10R1.113 CN(C)C1=CC(Cl)=CC=C1 MC40885 [1,1,0,0,0,0|2,0,0]=4 687 B10R1.113 N=C(N)C1=CC(Br)=CC=C1 CS20273 [1,1,0,0,0,0|2,0,0]=4 688 B10R1.113 NC(=O)C1=CC(Br)=CC=C1 CS22167 [1,1,0,0,0,0|1,0,0]=3 689 B10R1.113 NC(=O)C1=CC(Cl)=NC=C1 CS17785 [1,1,0,0,0,0|2,0,0]=4 690 B10R1.113 NC(=O)C1=CC(N)=CC=C1 MC433795 [1,1,0,0,0,0|1,0,0]=3 691 B10R1.113 NC(=O)C1=CC(N)=CN=C1 CS15231 [1,1,0,0,0,0|2,0,0]=4 692 B10R1.113 NC(=O)C1=CC(N)=NC=C1 MC425286 [1,1,0,0,0,0|2,0,0]=4 693 B10R1.113 NC(=O)C1=CN=CC(Br)=C1 CS19001 [1,1,0,0,0,0|2,0,0]=4 694 B10R1.113 NC(=O)C1=NC=CC(Br)=C1 MC427450 [1,1,0,0,0,0|2,0,0]=4 695 B10R1.113 NC(=O)C1=NC=CC(Cl)=C1 MC20489 [1,1,0,0,0,0|2,0,0]=4 696 B10R1.113 NC(=O)C1=NC=CC(N)=C1 MC116216 [1,1,0,0,0,0|2,0,0]=4 697 B10R1.113 NC1=CC(C(=O)O)=CN=C1 CS22022 [1,1,0,0,0,0|1,0,0]=3 698 B10R1.113 NC1=CC(C(=O)O)=NC=C1 CS15431 [1,1,0,0,0,0|1,0,0]=3 699 B10R1.113 NC1=CC(C(=O)O)=NC=N1 MC425236 [1,1,0,0,0,0|2,0,0]=4 700 B10R1.113 NC1=CC([N+](=O)[O-])=CC=C1 CS22379 [1,1,0,0,0,0|1,0,1]=4 701 B10R1.113 NC1=CC=CC(B(O)O)=C1 CS11047 [1,1,0,0,0,0|1,0,1]=4 702 B10R1.113 NC1=CC=CC(B(O)O)=C1 CS18152 [1,1,0,0,0,0|1,0,1]=4 703 B10R1.113 NC1=CC=CC(B(O)O)=C1 CS19512 [1,1,0,0,0,0|1,0,1]=4 704 B10R1.113 NC1=CC=CC(B(O)O)=C1 MC20897 [1,1,0,0,0,0|1,0,1]=4 705 B10R1.113 NC1=CC=CC(C(=O)O)=C1 CS13396 [1,1,0,0,0,0|0,0,0]=2 706 B10R1.113 NC1=CC=CC(C(=O)O)=N1 CS19355 [1,1,0,0,0,0|1,0,0]=3 707 B10R1.113 NC1=CN=CC(C(=O)O)=N1 CS12628 [1,1,0,0,0,0|2,0,0]=4 708 B10R1.113 NC1=NC=CC(C(=O)O)=C1 CS23021 [1,1,0,0,0,0|1,0,0]=3 709 B10R1.113 NC1=NC=CC(C(=O)O)=N1 MC10396 [1,1,0,0,0,0|2,0,0]=4 710 B10R1.113 O=C(Cl)C1=CC(Br)=CC=C1 MC40439 [1,1,0,0,0,0|1,0,0]=3 711 B10R1.113 O=C(Cl)C1=CC(Cl)=CC=C1 MC40449 [1,1,0,0,0,0|1,0,0]=3 712 B10R1.113 O=C(Cl)C1=CC(F)=CC=C1 MC40473 [1,1,0,0,0,0|1,0,0]=3 713 B10R1.113 O=C(Cl)C1=NC=CC(O)=C1 MC106015 [1,1,0,0,0,0|2,0,0]=4 714 B10R1.113 O=C(O)C1=CC(Br)=CC=C1 CS15122 [1,1,0,0,0,0|0,0,0]=2 715 B10R1.113 O=C(O)C1=CC(Br)=NC=C1 MC20488 [1,1,0,0,0,0|1,0,0]=3 716 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 CS14882 [1,1,0,0,0,0|0,0,0]=2 717 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 CS18845 [1,1,0,0,0,0|1,0,0]=3 718 B10R1.113 O=C(O)C1=CC(F)=CC=C1 CS10368 [1,1,0,0,0,0|0,0,0]=2 719 B10R1.113 O=C(O)C1=CC(F)=NC=C1 CS18886 [1,1,0,0,0,0|1,0,0]=3 720 B10R1.113 O=C(O)C1=CC(I)=CC=C1 CS10375 [1,1,0,0,0,0|0,0,0]=2 721 B10R1.113 O=C(O)C1=CC(O)=CC=C1 CS19800 [1,1,0,0,0,0|0,0,0]=2 722 B10R1.113 O=C(O)C1=CC(S)=CC=C1 MC20304 [1,1,0,0,0,0|0,0,0]=2 723 B10R1.113 O=C(O)C1=CN=CC(Br)=C1 CS22040 [1,1,0,0,0,0|1,0,0]=3 724 B10R1.113 O=C(O)C1=CN=CC(Cl)=C1 CS18852 [1,1,0,0,0,0|1,0,0]=3 725 B10R1.113 O=C(O)C1=CN=CC(F)=C1 CS22934 [1,1,0,0,0,0|1,0,0]=3 726 B10R1.113 O=C(O)C1=CN=CC(O)=C1 CS22067 [1,1,0,0,0,0|1,0,0]=3 727 B10R1.113 O=C(O)C1=CN=NC(Cl)=C1 CS17230 [1,1,0,0,0,0|2,0,0]=4 728 B10R1.113 O=C(O)C1=NC(Br)=CC=C1 CS22087 [1,1,0,0,0,0|1,0,0]=3 729 B10R1.113 O=C(O)C1=NC(Br)=CN=C1 MC441120 [1,1,0,0,0,0|2,0,0]=4 730 B10R1.113 O=C(O)C1=NC(Br)=NC=C1 MC443368 [1,1,0,0,0,0|2,0,0]=4 731 B10R1.113 O=C(O)C1=NC(Cl)=CC=C1 CS21854 [1,1,0,0,0,0|1,0,0]=3 732 B10R1.113 O=C(O)C1=NC(Cl)=CN=C1 CS12423 [1,1,0,0,0,0|2,0,0]=4 733 B10R1.113 O=C(O)C1=NC(Cl)=NC=C1 CS17265 [1,1,0,0,0,0|2,0,0]=4 734 B10R1.113 O=C(O)C1=NC(F)=CC=C1 CS14295 [1,1,0,0,0,0|1,0,0]=3 735 B10R1.113 O=C(O)C1=NC(O)=CC=C1 CS22114 [1,1,0,0,0,0|1,0,0]=3 736 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 CS14122 [1,1,0,0,0,0|1,0,0]=3 737 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 CS14963 [1,1,0,0,0,0|1,0,0]=3 738 B10R1.113 O=C(O)C1=NC=CC(F)=C1 CS17501 [1,1,0,0,0,0|1,0,0]=3 739 B10R1.113 O=C(O)C1=NC=CC(I)=C1 CS17506 [1,1,0,0,0,0|1,0,0]=3 740 B10R1.113 O=C(O)C1=NC=CC(O)=C1 CS22894 [1,1,0,0,0,0|1,0,0]=3 741 B10R1.113 O=C(O)C1=NC=NC(Cl)=C1 MC444429 [1,1,0,0,0,0|2,0,0]=4 742 B10R1.113 O=C(O)C1=NC=NC(O)=C1 CS17537 [1,1,0,0,0,0|2,0,0]=4 743 B10R1.113 O=C([O-])C1=CC(Cl)=CC=C1 MC40336 [1,1,0,0,0,0|0,0,1]=3 744 B10R1.113 O=C([O-])C1=CC(F)=CC=C1 MC40350 [1,1,0,0,0,0|0,0,1]=3 745 B10R1.113 O=C([O-])C1=NC=CC(I)=C1 MC430296 [1,1,0,0,0,0|1,0,1]=4 746 B10R1.113 O=C1C=C(C(=O)O)C=NN1 CS22119 [1,1,0,0,0,0|2,0,0]=4 747 B10R1.113 O=C1C=NC=C(C(=O)O)N1 CS17150 [1,1,0,0,0,0|2,0,0]=4 748 B10R1.113 O=C1N=CC=C(C(=O)O)N1 CS12225 [1,1,0,0,0,0|2,0,0]=4 749 B10R1.113 O=[N+]([O-])C1=CC=CC(Br)=C1 CS20650 [1,1,0,0,0,0|1,0,1]=4 750 B10R1.113 O=[N+]([O-])C1=CC=CC(Cl)=C1 CS20664 [1,1,0,0,0,0|1,0,1]=4 751 B10R1.113 O=[N+]([O-])C1=CC=CC(F)=C1 CS20684 [1,1,0,0,0,0|1,0,1]=4 752 B10R1.113 O=[N+]([O-])C1=CC=CC(I)=C1 CS19240 [1,1,0,0,0,0|1,0,1]=4 753 B10R1.113 O=[N+]([O-])C1=CC=CC(O)=C1 CS22383 [1,1,0,0,0,0|1,0,1]=4 754 B10R1.113 OB(O)C1=CC(Br)=CC=C1 CS19219 [1,1,0,0,0,0|1,0,1]=4 755 B10R1.113 OB(O)C1=CC(Cl)=CC=C1 CS22999 [1,1,0,0,0,0|1,0,1]=4 756 B10R1.113 OB(O)C1=CC(F)=CC=C1 CS21930 [1,1,0,0,0,0|1,0,1]=4 757 B10R1.113 OB(O)C1=CC(O)=CC=C1 MC440047 [1,1,0,0,0,0|1,0,1]=4 758 B10R1.1 CCCC1=CC=C(Br)C=C1 CS10896 [1,1,0,0,0,0|1,0,1]=4 759 B10R1.1 CCOC1=CC=C(Br)C=C1 MC446797 [1,1,0,0,0,0|2,0,0]=4 760 B10R1.1 CCOC1=CC=C(I)C=C1 CS22907 [1,1,0,0,0,0|2,0,0]=4 761 B10R1.1 CCOC1=CC=C(N)C=C1 CS11879 [1,1,0,0,0,0|2,0,0]=4 762 B10R1.1 CNCC1=CC=C(Br)C=C1 CS19272 [1,1,0,0,0,0|1,0,1]=4 763 B10R1.1 CNCC1=CC=C(C)C=C1 CS11795 [1,1,0,0,0,0|1,0,1]=4 764 B10R1.4 CCOC1=C(Br)C=CC=C1 MC20149 [1,1,0,0,0,0|2,0,0]=4 765 B10R1.4 CCOC1=C(N)C=CC=C1 CS11823 [1,1,0,0,0,0|2,0,0]=4 766 B10R1.4 CCOC1=C(O)C=CC=C1 MC41194 [1,1,0,0,0,0|2,0,0]=4 767 B10R1.4 CNCC1=C(F)C=CC=C1 MC40828 [1,1,0,0,0,0|1,0,1]=4 768 B10R1.4 COCC1=C(Br)C=CC=C1 MC41399 [1,1,0,0,0,0|0,0,1]=3 769 B10R1.4 O\N=C\C1=C(F)C=CC=C1 MC106948 [1,1,0,0,0,0|2,0,0]=4 770 B10R1.4 O\N=C\C1=C(F)C=CC=C1 MC433456 [1,1,0,0,0,0|2,0,0]=4 771 B10R1.10 CCCc1cccc(F)c1 MC440476 [1,1,0,0,0,0|1,0,1]=4 772 B10R1.10 COCC1=CC(Cl)=NC=C1 MC425095 [1,1,0,0,0,0|1,0,1]=4 773 B10R1.17 BrCCOC1=CC=CC=C1 MC20150 [1,1,0,0,0,0|2,0,0]=4 774 B10R1.17 CNCCC1=CC=CC=C1 MC446670 [1,1,0,0,0,0|1,0,1]=4 775 B10R1.17 ClCCOC1=CC=CC=C1 MC33174 [1,1,0,0,0,0|2,0,0]=4 776 B10R1.17 ClC\C=C\C1=CC=CC=C1 MC41818 [1,1,0,0,0,0|1,0,0]=3 777 B10R1.17 NCCOC1=CC=CC=C1 CS20484 [1,1,0,0,0,0|2,0,0]=4 778 B10R1.17 OCCOC1=CC=CC=C1 MC41398 [1,1,0,0,0,0|2,0,0]=4 779 B10R1.18 BrC(Br)=CC1=CC=CC=C1 CS16193 [1,1,0,0,0,0|2,0,0]=4 780 B10R1.18 CC(=O)NC1=CC=CC=C1 MC34102 [1,1,0,0,0,0|2,0,0]=4 781 B10R1.18 CC(Br)CC1=CC=CC=C1 MC41813 [1,1,0,0,0,0|1,0,1]=4 782 B10R1.18 CC(C)NC1=CC=CC=C1 CS11787 [1,1,0,0,0,0|2,0,0]=4 783 B10R1.18 CC(C)OC1=CC=CC=C1 MC41360 [1,1,0,0,0,0|2,0,0]=4 784 B10R1.11 CCOC(=O)C1=CC=CN1 CS10538 [0,1,0,0,1,0|1,0,0]=3 785 B10R1.11 CCOC(=O)C1=CC=CO1 MC10319 [0,1,0,0,1,0|1,0,0]=3 786 B10R1.11 CCOC(=O)C1=CC=CS1 CS14077 [0,1,0,0,1,0|1,0,0]=3 787 B10R1.11 CCOC(=O)C1=CN=CO1 CS17742 [0,1,0,0,1,0|2,0,0]=4 788 B10R1.11 CCOC(=O)C1=CN=CS1 CS11320 [0,1,0,0,1,0|2,0,0]=4 789 B10R1.11 CCOC(=O)C1=CNC=C1 MC115913 [0,1,0,0,1,0|1,0,0]=3 790 B10R1.11 CCOC(=O)C1=CNC=N1 CS18895 [0,1,0,0,1,0|2,0,0]=4 791 B10R1.11 CCOC(=O)C1=CNN=C1 CS10111 [0,1,0,0,1,0|2,0,0]=4 792 B10R1.11 CCOC(=O)C1=COC=N1 CS18179 [0,1,0,0,1,0|2,0,0]=4 793 B10R1.11 CCOC(=O)C1=CSC=C1 CS10526 [0,1,0,0,1,0|1,0,0]=3 794 B10R1.11 CCOC(=O)C1=NC=CN1 CS18245 [0,1,0,0,1,0|2,0,0]=4 795 B10R1.11 CCOC(=O)C1=NNC=C1 CS20723 [0,1,0,0,1,0|2,0,0]=4 796 B10R1.14 CCC(=O)C1=CC=C(C)O1 MC41697 [0,1,0,0,1,0|2,0,0]=4 797 B10R1.14 COC(=O)C1=CC(Br)=CN1 CS16309 [0,1,0,0,1,0|1,0,0]=3 798 B10R1.14 COC(=O)C1=CC(Br)=CO1 CS11686 [0,1,0,0,1,0|1,0,0]=3 799 B10R1.14 COC(=O)C1=CC(Br)=CS1 CS11641 [0,1,0,0,1,0|1,0,0]=3 800 B10R1.14 COC(=O)C1=CC(F)=CN1 CS15647 [0,1,0,0,1,0|1,0,0]=3 801 B10R1.14 COC(=O)C1=CC(O)=NO1 CS11625 [0,1,0,0,1,0|2,0,0]=4 802 B10R1.14 COC(=O)C1=CC=C(Br)N1 CS13213 [0,1,0,0,1,0|1,0,0]=3 803 B10R1.14 COC(=O)C1=CC=C(Br)O1 CS19025 [0,1,0,0,1,0|1,0,0]=3 804 B10R1.14 COC(=O)C1=CC=C(Br)S1 CS10309 [0,1,0,0,1,0|1,0,0]=3 805 B10R1.14 COC(=O)C1=CC=C(Cl)O1 MC41693 [0,1,0,0,1,0|1,0,0]=3 806 B10R1.14 COC(=O)C1=CC=C(Cl)S1 CS17193 [0,1,0,0,1,0|1,0,0]=3 807 B10R1.14 COC(=O)C1=CN(C)C=N1 CS20747 [0,1,0,0,1,0|2,0,0]=4 808 B10R1.14 COC(=O)C1=CN=C(Br)S1 CS17469 [0,1,0,0,1,0|2,0,0]=4 809 B10R1.14 COC(=O)C1=CN=C(Cl)S1 CS15219 [0,1,0,0,1,0|2,0,0]=4 810 B10R1.14 COC(=O)C1=CN=C(N)S1 CS17987 [0,1,0,0,1,0|2,0,0]=4 811 B10R1.14 COC(=O)C1=CNC(Br)=C1 MC428134 [0,1,0,0,1,0|1,0,0]=3 812 B10R1.14 COC(=O)C1=COC(C)=N1 CS19368 [0,1,0,0,1,0|2,0,0]=4 813 B10R1.14 COC(=O)C1=COC(Cl)=N1 CS12427 [0,1,0,0,1,0|2,0,0]=4 814 B10R1.14 COC(=O)C1=COC(I)=N1 CS17605 [0,1,0,0,1,0|2,0,0]=4 815 B10R1.14 COC(=O)C1=CSC(Br)=C1 MC441052 [0,1,0,0,1,0|1,0,0]=3 816 B10R1.14 COC(=O)C1=CSC(Br)=N1 CS17463 [0,1,0,0,1,0|2,0,0]=4 817 B10R1.14 COC(=O)C1=CSC(N)=N1 CS22767 [0,1,0,0,1,0|2,0,0]=4 818 B10R1.14 COC(=O)C1=NC(Br)=CS1 MC121155 [0,1,0,0,1,0|2,0,0]=4 819 B10R1.14 COC(=O)C1=NC(C)=CS1 CS11649 [0,1,0,0,1,0|2,0,0]=4 820 B10R1.14 COC(=O)C1=NC=C(C)S1 MC20969 [0,1,0,0,1,0|2,0,0]=4 821 B10R1.14 COC(=O)C1=NC=C(N)S1 MC104624 [0,1,0,0,1,0|2,0,0]=4 822 B10R1.14 COC(=O)C1=NNC(Br)=C1 CS16329 [0,1,0,0,1,0|2,0,0]=4 823 B10R1.14 COC(=O)C1=NNC(I)=C1 MC105672 [0,1,0,0,1,0|2,0,0]=4 824 B10R1.14 COC(=O)C1=NNC(O)=C1 MC106662 [0,1,0,0,1,0|2,0,0]=4 825 B10R1.14 COC(=O)C1=NOC(C)=C1 MC33072 [0,1,0,0,1,0|2,0,0]=4 826 B10R1.149 COC(=O)C1=C(Br)C=CS1 CS19022 [0,1,0,0,1,0|1,0,0]=3 827 B10R1.149 COC(=O)C1=C(Br)SC=C1 CS14695 [0,1,0,0,1,0|1,0,0]=3 828 B10R1.149 COC(=O)C1=C(Br)SC=N1 CS12091 [0,1,0,0,1,0|2,0,0]=4 829 B10R1.149 COC(=O)C1=C(C)C=CS1 MC20532 [0,1,0,0,1,0|1,0,0]=3 830 B10R1.149 COC(=O)C1=C(C)N=CS1 CS10100 [0,1,0,0,1,0|2,0,0]=4 831 B10R1.149 COC(=O)C1=C(C)OC=N1 CS12233 [0,1,0,0,1,0|2,0,0]=4 832 B10R1.149 COC(=O)C1=C(C)SC=C1 CS12807 [0,1,0,0,1,0|1,0,0]=3 833 B10R1.149 COC(=O)C1=C(Cl)C=CN1 MC102125 [0,1,0,0,1,0|1,0,0]=3 834 B10R1.149 COC(=O)C1=C(F)C=CS1 MC430932 [0,1,0,0,1,0|1,0,0]=3 835 B10R1.149 COC(=O)C1=C(I)C=CS1 MC431931 [0,1,0,0,1,0|1,0,0]=3 836 B10R1.149 COC(=O)C1=C(N)C=CO1 CS12425 [0,1,0,0,1,0|1,0,0]=3 837 B10R1.149 COC(=O)C1=C(N)C=CS1 CS18173 [0,1,0,0,1,0|1,0,0]=3 838 B10R1.149 COC(=O)C1=C(N)C=NN1 CS13630 [0,1,0,0,1,0|2,0,0]=4 839 B10R1.149 COC(=O)C1=C(N)NC=N1 CS15748 [0,1,0,0,1,0|2,0,0]=4 840 B10R1.149 COC(=O)C1=C(N)NN=C1 CS13377 [0,1,0,0,1,0|2,0,0]=4 841 B10R1.149 COC(=O)C1=C(N)SC=C1 CS19504 [0,1,0,0,1,0|1,0,0]=3 842 B10R1.149 COC(=O)C1=C(O)C=CN1 MC106838 [0,1,0,0,1,0|1,0,0]=3 843 B10R1.149 COC(=O)C1=CC=CN1N CS15888 [0,1,0,0,1,0|1,0,0]=3 844 B10R1.149 COC(=O)C1=CC=NN1C CS16991 [0,1,0,0,1,0|2,0,0]=4 845 B10R1.149 COC(=O)C1=CNN=C1C CS14906 [0,1,0,0,1,0|2,0,0]=4 846 B10R1.149 COC(=O)C1=CSC=C1Br CS16469 [0,1,0,0,1,0|1,0,0]=3 847 B10R1.149 COC(=O)C1=NNC=C1Br CS12841 [0,1,0,0,1,0|2,0,0]=4 848 B10R1.149 COC(=O)C1=NNC=C1Cl CS13632 [0,1,0,0,1,0|2,0,0]=4 849 B10R1.149 COC(=O)C1=NNC=C1N MC443702 [0,1,0,0,1,0|2,0,0]=4 850 B12R1.32 CCNC(=S)NC1=CC=CC=C1 MC427354 [0,1,0,0,0,1|1,1,0]=4 851 B12R1.32 CCOC(=O)CC1=NC=CC=C1 MC41619 [0,1,0,0,0,1|1,0,0]=3 852 B12R1.32 CCOC(=O)CC1=NC=CC=N1 CS12227 [0,1,0,0,0,1|2,0,0]=4 853 B12R1.32 N#CCC(=O)NC1=CC=CC=C1 MC40795 [0,1,0,0,0,1|1,0,1]=4 854 B12R1.34 CN(C(=O)CN)C1=CC=CC=C1 MC111794 [0,1,0,0,0,1|2,0,0]=4 855 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 MC20896 [0,1,0,0,0,1|0,0,0]=2 856 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 CS13901 [0,1,0,0,0,1|0,0,0]=2 857 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 CS21181 [0,1,0,0,0,1|0,0,0]=2 858 B12R1.34 COC(=O)C(N)C1=NC=CC=C1 CS17643 [0,1,0,0,0,1|1,0,0]=3 859 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 CS18861 [0,1,0,0,0,1|0,0,0]=2 860 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 CS21098 [0,1,0,0,0,1|0,0,0]=2 861 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 MC33263 [0,1,0,0,0,1|0,0,0]=2 862 B12R1.49 COC(=O)CC1=CC=C(C)C=C1 MC40116 [0,1,0,0,0,1|0,0,0]=2 863 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 MC40088 [0,1,0,0,0,1|0,0,0]=2 864 B12R1.49 COC(=O)CC1=CC=C(F)N=C1 MC429489 [0,1,0,0,0,1|1,0,0]=3 865 B12R1.49 COC(=O)CC1=CC=C(N)N=C1 MC431366 [0,1,0,0,0,1|1,0,0]=3 866 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 CS21113 [0,1,0,0,0,1|0,0,0]=2 867 B12R1.50 C=CC(=O)NC1=CC(N)=CC=C1 MC107629 [0,1,0,0,0,1|1,0,1]=4 868 B12R1.50 CCC(=O)NC1=CC(Br)=CN=C1 MC103001 [0,1,0,0,0,1|2,0,0]=4 869 B12R1.50 CCC(=O)NC1=CC(N)=CC=C1 CS21194 [0,1,0,0,0,1|1,0,0]=3 870 B12R1.50 COC(=O)CC1=CC(Br)=CC=C1 CS20169 [0,1,0,0,0,1|0,0,0]=2 871 B12R1.50 COC(=O)CC1=CC(F)=CC=C1 MC433952 [0,1,0,0,0,1|0,0,0]=2 872 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 CS15979 [0,1,0,0,0,1|0,0,0]=2 873 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 MC40063 [0,1,0,0,0,1|0,0,0]=2 874 B12R1.50 COC(=O)CC1=CC(O)=CC=C1 CS22324 [0,1,0,0,0,1|0,0,0]=2 875 B12R1.50 NNC(=O)CC1=CC(Br)=CC=C1 MC111969 [0,1,0,0,0,1|2,0,0]=4 876 B12R1.371 COC(=O)CC1=C(Br)C=CC=C1 CS11591 [0,1,0,0,0,1|0,0,0]=2 877 B12R1.371 COC(=O)CC1=C(Cl)C=CC=C1 CS21677 [0,1,0,0,0,1|0,0,0]=2 878 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 CS11582 [0,1,0,0,0,1|0,0,0]=2 879 B12R1.371 COC(=O)CC1=C(O)C=CC=C1 CS20138 [0,1,0,0,0,1|0,0,0]=2 880 B12R1.9 CCS(=O)(=O)C1=CC=C(Br)C=C1 MC429144 [0,2,0,0,0,0|2,0,0]=4 881 B12R1.9 CCS(=O)(=O)C1=CC=C(C)C=C1 MC111842 [0,2,0,0,0,0|2,0,0]=4 882 B12R1.9 CCS(=O)(=O)C1=CC=C(F)C=C1 MC112595 [0,2,0,0,0,0|2,0,0]=4 883 B12R1.9 CNS(=O)(=O)C1=CC=C(N)C=C1 CS19588 [0,2,0,0,0,0|2,0,0]=4 884 B12R1.9 COS(=O)(=O)C1=CC=C(C)C=C1 MC445526 [0,2,0,0,0,0|1,0,0]=3 885 B12R1.243 COC(OC)C1=C(I)C=CC=C1 MC20293 [0,2,0,0,0,0|0,0,2]=4 886 B12R1.478 CCC(C(=O)O)C1=CC=CC=C1 CS20312 [0,2,0,0,0,0|1,0,1]=4 887 B12R1.478 CCC(C1=CC=CC=C1)=C(Br)Br MC107155 [0,2,0,0,0,0|2,0,0]=4 888 B12R1.478 CNC(C(=O)O)c1ccccc1 MC437936 [0,2,0,0,0,0|1,0,1]=4 889 B12R1.478 CNC(C(=O)O)c1ccccc1 MC437937 [0,2,0,0,0,0|1,0,1]=4 890 B12R1.478 CNC(C(=O)O)c1ccccc1 MC437938 [0,2,0,0,0,0|1,0,1]=4 891 B12R1.478 COC(C(=O)O)c1ccccc1 MC428059 [0,2,0,0,0,0|0,0,1]=3 892 B12R1.16 CCOC(=O)C1=CC=C(Br)C=C1 CS11362 [0,2,0,0,0,0|0,0,0]=2 893 B12R1.16 CCOC(=O)C1=CC=C(Cl)C=C1 CS11363 [0,2,0,0,0,0|0,0,0]=2 894 B12R1.16 CCOC(=O)C1=CC=C(Cl)N=N1 CS12305 [0,2,0,0,0,0|2,0,0]=4 895 B12R1.16 CCOC(=O)C1=CC=C(F)C=C1 CS21694 [0,2,0,0,0,0|0,0,0]=2 896 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 CS19762 [0,2,0,0,0,0|0,0,0]=2 897 B12R1.16 CCOC(=O)C1=CC=C(N)N=N1 MC425265 [0,2,0,0,0,0|2,0,0]=4 898 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 CS18640 [0,2,0,0,0,0|0,0,0]=2 899 B12R1.16 CCOC(=O)C1=CN=C(Br)C=C1 CS12492 [0,2,0,0,0,0|1,0,0]=3 900 B12R1.16 CCOC(=O)C1=CN=C(C)N=C1 CS11397 [0,2,0,0,0,0|2,0,0]=4 901 B12R1.16 CCOC(=O)C1=CN=C(Cl)C=C1 CS20898 [0,2,0,0,0,0|1,0,0]=3 902 B12R1.16 CCOC(=O)C1=CN=C(Cl)N=C1 CS12296 [0,2,0,0,0,0|2,0,0]=4 903 B12R1.16 CCOC(=O)C1=CN=C(N)N=C1 CS21311 [0,2,0,0,0,0|2,0,0]=4 904 B12R1.16 CCOC(=O)C1=CN=C(O)C=C1 CS18817 [0,2,0,0,0,0|1,0,0]=3 905 B12R1.16 CCOC(=O)C1=NC=C(Br)C=C1 CS19325 [0,2,0,0,0,0|1,0,0]=3 906 B12R1.16 CCOC(=O)C1=NC=C(Br)C=N1 CS12561 [0,2,0,0,0,0|2,0,0]=4 907 B12R1.16 CCOC(=O)C1=NC=C(Br)N=C1 CS12107 [0,2,0,0,0,0|2,0,0]=4 908 B12R1.16 CCOC(=O)C1=NC=C(C)C=C1 CS14696 [0,2,0,0,0,0|1,0,0]=3 909 B12R1.16 CCOC(=O)C1=NC=C(Cl)N=C1 CS16733 [0,2,0,0,0,0|2,0,0]=4 910 B12R1.16 CCOC(=O)C1=NC=C(N)C=C1 MC430639 [0,2,0,0,0,0|1,0,0]=3 911 B12R1.16 CCOC(=O)C1=NC=C(N)N=C1 MC425285 [0,2,0,0,0,0|2,0,0]=4 912 B12R1.16 N#CCC(=O)C1=CC=C(Cl)C=C1 CS10944 [0,2,0,0,0,0|1,0,1]=4 913 B12R1.16 N#CCC(=O)C1=CC=C(F)C=C1 MC20625 [0,2,0,0,0,0|1,0,1]=4 914 B12R1.16 O=C(CCCl)C1=CC=C(Br)C=C1 MC41277 [0,2,0,0,0,0|1,0,0]=3 915 B12R1.16 O=C(CCCl)C1=CC=C(Cl)C=C1 MC433259 [0,2,0,0,0,0|1,0,0]=3 916 B12R1.16 O=C(CCCl)C1=CC=C(F)C=C1 CS14887 [0,2,0,0,0,0|1,0,0]=3 917 B12R1.17 CCOC(=O)C1=CC(=O)NC=N1 MC106697 [0,2,0,0,0,0|2,0,0]=4 918 B12R1.17 CCOC(=O)C1=CC(Br)=CC=C1 MC40031 [0,2,0,0,0,0|0,0,0]=2 919 B12R1.17 CCOC(=O)C1=CC(Br)=NC=C1 MC20736 [0,2,0,0,0,0|1,0,0]=3 920 B12R1.17 CCOC(=O)C1=CC(Cl)=NC=C1 CS14959 [0,2,0,0,0,0|1,0,0]=3 921 B12R1.17 CCOC(=O)C1=CC(I)=CC=C1 CS11354 [0,2,0,0,0,0|0,0,0]=2 922 B12R1.17 CCOC(=O)C1=CC(N)=CC=C1 MC40025 [0,2,0,0,0,0|0,0,0]=2 923 B12R1.17 CCOC(=O)C1=CC(N)=NC=C1 CS17963 [0,2,0,0,0,0|1,0,0]=3 924 B12R1.17 CCOC(=O)C1=CC(O)=CC=C1 CS11352 [0,2,0,0,0,0|0,0,0]=2 925 B12R1.17 CCOC(=O)C1=CN=CC(Br)=C1 CS22041 [0,2,0,0,0,0|1,0,0]=3 926 B12R1.17 CCOC(=O)C1=CN=CC(F)=C1 MC430707 [0,2,0,0,0,0|1,0,0]=3 927 B12R1.17 CCOC(=O)C1=NC(=O)NC=C1 MC441257 [0,2,0,0,0,0|2,0,0]=4 928 B12R1.17 CCOC(=O)C1=NC(Br)=CC=C1 CS13935 [0,2,0,0,0,0|1,0,0]=3 929 B12R1.17 CCOC(=O)C1=NC(Br)=NC=C1 MC442162 [0,2,0,0,0,0|2,0,0]=4 930 B12R1.17 CCOC(=O)C1=NC(Cl)=CC=C1 CS15548 [0,2,0,0,0,0|1,0,0]=3 931 B12R1.17 CCOC(=O)C1=NC(Cl)=NC=C1 MC441258 [0,2,0,0,0,0|2,0,0]=4 932 B12R1.17 CCOC(=O)C1=NC(N)=CC=C1 CS10611 [0,2,0,0,0,0|1,0,0]=3 933 B12R1.17 CCOC(=O)C1=NC(N)=NC=C1 MC441256 [0,2,0,0,0,0|2,0,0]=4 934 B12R1.17 CCOC(=O)C1=NC=CC(N)=N1 CS12503 [0,2,0,0,0,0|2,0,0]=4 935 B12R1.17 CCOC(=O)C1=NC=NC(Cl)=C1 MC442159 [0,2,0,0,0,0|2,0,0]=4 936 B12R1.17 N#CCC(=O)C1=CC(Br)=CC=C1 MC40793 [0,2,0,0,0,0|1,0,1]=4 937 B12R1.17 N#CCC(=O)C1=CC(Cl)=CC=C1 CS21429 [0,2,0,0,0,0|1,0,1]=4 938 B12R1.17 N#CCC(=O)C1=CC(F)=CC=C1 MC429587 [0,2,0,0,0,0|1,0,1]=4 939 B12R1.30 CCCOC(=O)C1=CC=CC=C1 CS11887 [0,2,0,0,0,0|0,0,0]=2 940 B12R1.30 O=C(C#CCO)C1=CC=CC=C1 MC111021 [0,2,0,0,0,0|1,0,0]=3 941 B12R1.30 O=C(NCCO)C1=CN=CC=C1 CS11709 [0,2,0,0,0,0|2,0,0]=4 942 B12R1.30 O=C(OCCCl)C1=CC=CC=C1 MC40015 [0,2,0,0,0,0|0,0,0]=2 943 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CS20784 [0,2,0,0,0,0|1,0,0]=3 944 B12R1.107 O=C(O[Au](Cl)Cl)c1ccccn1 MC10751 [0,2,0,0,0,0|2,0,0]=4 945 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 CS17400 [0,2,0,0,0,0|1,0,1]=4 946 B12R1.308 CCCC(=O)C1=C(N)C=CC=C1 MC430441 [0,2,0,0,0,0|1,0,0]=3 947 B12R1.308 CCOC(=O)C1=C(Br)C=CC=C1 MC20191 [0,2,0,0,0,0|0,0,0]=2 948 B12R1.308 CCOC(=O)C1=C(Br)C=NC=C1 MC20829 [0,2,0,0,0,0|1,0,0]=3 949 B12R1.308 CCOC(=O)C1=C(Br)N=CC=C1 CS21405 [0,2,0,0,0,0|1,0,0]=3 950 B12R1.308 CCOC(=O)C1=C(C)C=CC=C1 MC40044 [0,2,0,0,0,0|0,0,0]=2 951 B12R1.308 CCOC(=O)C1=C(C)C=CN=N1 MC104552 [0,2,0,0,0,0|2,0,0]=4 952 B12R1.308 CCOC(=O)C1=C(C)N=NC=C1 MC104788 [0,2,0,0,0,0|2,0,0]=4 953 B12R1.308 CCOC(=O)C1=C(Cl)N=CC=C1 CS20897 [0,2,0,0,0,0|1,0,0]=3 954 B12R1.308 CCOC(=O)C1=C(F)C=CC=C1 CS11340 [0,2,0,0,0,0|0,0,0]=2 955 B12R1.308 CCOC(=O)C1=C(N)N=CC=C1 CS13612 [0,2,0,0,0,0|1,0,0]=3 956 B12R1.308 CCOC(=O)C1=C(O)C=NC=C1 MC100279 [0,2,0,0,0,0|1,0,0]=3 957 B12R1.308 CCOC(=O)C1=CC=CC=C1O MC34575 [0,2,0,0,0,0|0,0,0]=2 958 B12R1.308 CCOC(=O)C1=CN=CC=C1Cl CS18275 [0,2,0,0,0,0|1,0,0]=3 959 B12R1.308 CCOC(=O)C1=CN=CN=C1Cl CS18296 [0,2,0,0,0,0|2,0,0]=4 960 B12R1.308 CCOC(=O)C1=CN=CN=C1N MC444489 [0,2,0,0,0,0|2,0,0]=4 961 B12R1.308 CCOC(=O)C1=CN=CN=C1O CS18328 [0,2,0,0,0,0|2,0,0]=4 962 B12R1.308 CCOC(=O)C1=CN=CNC1=O CS17889 [0,2,0,0,0,0|2,0,0]=4 963 B12R1.308 CCOC(=O)C1=CN=NC=C1C MC104021 [0,2,0,0,0,0|2,0,0]=4 964 B12R1.308 CCOC(=O)C1=NC=CC=C1F MC432518 [0,2,0,0,0,0|1,0,0]=3 965 B12R1.308 CCOC(=O)C1=NC=CC=C1N CS22110 [0,2,0,0,0,0|1,0,0]=3 966 B12R1.308 CCOC(=O)C1=NC=CN=C1Cl MC444493 [0,2,0,0,0,0|2,0,0]=4 967 B12R1.308 CCOC(=O)C1=NC=NC=C1Br CS13681 [0,2,0,0,0,0|2,0,0]=4 968 B12R1.308 N#CCC(=O)C1=C(Cl)C=CC=C1 CS21428 [0,2,0,0,0,0|1,0,1]=4 969 B12R1.308 N#CCC(=O)C1=C(F)C=CC=C1 MC433794 [0,2,0,0,0,0|1,0,1]=4 970 B12R1.308 O=C(CCCl)C1=C(Cl)C=CC=C1 MC429389 [0,2,0,0,0,0|1,0,0]=3 971 B12R1.5 CCC(=O)C1=CC=C(CC)C=C1 MC433261 [0,2,0,0,0,0|1,0,0]=3 972 B12R1.5 CCC1=CC=C(C(=O)CBr)C=C1 MC442572 [0,2,0,0,0,0|2,0,0]=4 973 B12R1.5 COC(=O)C1=CC=C(C#N)C=C1 CS22286 [0,2,0,0,0,0|0,0,0]=2 974 B12R1.5 COC(=O)C1=CC=C(C#N)N=N1 MC103576 [0,2,0,0,0,0|2,0,0]=4 975 B12R1.5 COC(=O)C1=CC=C(C=O)C=C1 CS21634 [0,2,0,0,0,0|0,0,0]=2 976 B12R1.5 COC(=O)C1=CC=C(CBr)C=C1 CS21991 [0,2,0,0,0,0|0,0,0]=2 977 B12R1.5 COC(=O)C1=CC=C(CN)C=C1 CS18814 [0,2,0,0,0,0|0,0,0]=2 978 B12R1.5 COC(=O)C1=CC=C(NN)N=N1 MC444531 [0,2,0,0,0,0|2,0,0]=4 979 B12R1.5 COC(=O)C1=CC=C(NN)N=N1 MC444532 [0,2,0,0,0,0|2,0,0]=4 980 B12R1.5 COC(=O)C1=CC=C(OC)C=C1 CS18683 [0,2,0,0,0,0|0,0,0]=2 981 B12R1.5 COC(=O)C1=CN=C(C=O)C=C1 CS11664 [0,2,0,0,0,0|1,0,0]=3 982 B12R1.5 COC(=O)C1=CN=C(CO)C=C1 CS14996 [0,2,0,0,0,0|1,0,0]=3 983 B12R1.5 COC(=O)C1=CN=C(OC)C=C1 CS10880 [0,2,0,0,0,0|1,0,0]=3 984 B12R1.5 COC(=O)C1=NC=C(C=O)N=C1 MC443563 [0,2,0,0,0,0|2,0,0]=4 985 B12R1.5 COC(=O)C1=NC=C(CBr)N=C1 MC445187 [0,2,0,0,0,0|2,0,0]=4 986 B12R1.5 COC(=O)C1=NC=C(CO)C=C1 MC431233 [0,2,0,0,0,0|1,0,0]=3 987 B12R1.5 COC(=O)C1=NC=C(OC)N=C1 MC110953 [0,2,0,0,0,0|2,0,0]=4 988 B12R1.5 COC1=CC=C(C(=O)CCl)C=C1 MC41239 [0,2,0,0,0,0|2,0,0]=4 989 B12R1.5 COC1=CC=C(C(=O)CN)C=C1 CS21179 [0,2,0,0,0,0|2,0,0]=4 990 B12R1.5 N#CC1=CC=C(C(=O)CBr)C=C1 MC426060 [0,2,0,0,0,0|2,0,0]=4 991 B12R1.5 N#CC1=CC=C(C(=O)NN)C=C1 MC443529 [0,2,0,0,0,0|2,0,0]=4 992 B12R1.20 CC(C)S(=O)C1=CC=C(Br)C=C1 CS16783 [0,2,0,0,0,0|2,0,0]=4 993 B12R1.20 CC1=CC=C(C(=O)C(Cl)Cl)C=C1 MC42255 [0,2,0,0,0,0|2,0,0]=4 994 B12R1.20 CN(C)C(=O)C1=NC=C(Br)C=C1 MC33515 [0,2,0,0,0,0|2,0,0]=4 995 B12R1.20 O=C(C1=CC=C(F)C=C1)C(O)O MC33140 [0,2,0,0,0,0|2,0,0]=4 996 B12R1.20 O=C(O)C(=O)C1=CC=C(Cl)C=C1 CS15974 [0,2,0,0,0,0|2,0,0]=4 997 B12R1.367 CC1=C(Br)C=CC(C(=O)CBr)=C1 MC113998 [0,2,0,0,0,0|2,0,0]=4 998 B12R1.367 CCC(=O)C1=CC(F)=C(F)C=C1 MC41281 [0,2,0,0,0,0|1,0,0]=3 999 B12R1.367 CNC(=O)C1=NC(N)=C(Br)C=C1 MC111788 [0,2,0,0,0,0|2,0,0]=4 1000 B12R1.367 COC(=O)C1=CC(Br)=C(C)C=C1 CS21663 [0,2,0,0,0,0|0,0,0]=2 1001 B12R1.367 COC(=O)C1=CC(Br)=C(I)C=C1 CS22151 [0,2,0,0,0,0|0,0,0]=2 1002 B12R1.367 COC(=O)C1=CC(Br)=C(N)C=C1 CS13492 [0,2,0,0,0,0|0,0,0]=2 1003 B12R1.367 COC(=O)C1=CC(Br)=C(O)C=C1 CS13829 [0,2,0,0,0,0|0,0,0]=2 1004 B12R1.367 COC(=O)C1=CC(C)=C(Br)C=C1 CS13733 [0,2,0,0,0,0|0,0,0]=2 1005 B12R1.367 COC(=O)C1=CC(C)=C(Cl)C=C1 CS11642 [0,2,0,0,0,0|0,0,0]=2 1006 B12R1.367 COC(=O)C1=CC(C)=C(F)C=C1 CS13467 [0,2,0,0,0,0|0,0,0]=2 1007 B12R1.367 COC(=O)C1=CC(C)=C(I)C=C1 MC40109 [0,2,0,0,0,0|0,0,0]=2 1008 B12R1.367 COC(=O)C1=CC(C)=C(N)C=C1 CS13862 [0,2,0,0,0,0|0,0,0]=2 1009 B12R1.367 COC(=O)C1=CC(Cl)=C(F)C=C1 CS14199 [0,2,0,0,0,0|0,0,0]=2 1010 B12R1.367 COC(=O)C1=CC(Cl)=C(O)C=C1 MC40083 [0,2,0,0,0,0|0,0,0]=2 1011 B12R1.367 COC(=O)C1=CC(F)=C(Br)C=C1 MC30260 [0,2,0,0,0,0|0,0,0]=2 1012 B12R1.367 COC(=O)C1=CC(F)=C(C)C=C1 CS14385 [0,2,0,0,0,0|0,0,0]=2 1013 B12R1.367 COC(=O)C1=CC(F)=C(Cl)C=C1 CS14421 [0,2,0,0,0,0|0,0,0]=2 1014 B12R1.367 COC(=O)C1=CC(F)=C(F)C=C1 MC40097 [0,2,0,0,0,0|0,0,0]=2 1015 B12R1.367 COC(=O)C1=CC(F)=C(F)N=C1 MC430145 [0,2,0,0,0,0|1,0,0]=3 1016 B12R1.367 COC(=O)C1=CC(F)=C(N)C=C1 CS14018 [0,2,0,0,0,0|0,0,0]=2 1017 B12R1.367 COC(=O)C1=CC(I)=C(C)C=C1 CS19409 [0,2,0,0,0,0|0,0,0]=2 1018 B12R1.367 COC(=O)C1=CC(I)=C(N)C=C1 CS18837 [0,2,0,0,0,0|0,0,0]=2 1019 B12R1.367 COC(=O)C1=CC(I)=C(O)C=C1 CS11645 [0,2,0,0,0,0|0,0,0]=2 1020 B12R1.367 COC(=O)C1=CC(N)=C(Br)C=C1 CS11615 [0,2,0,0,0,0|0,0,0]=2 1021 B12R1.367 COC(=O)C1=CC(N)=C(C)C=C1 CS10899 [0,2,0,0,0,0|0,0,0]=2 1022 B12R1.367 COC(=O)C1=CC(N)=C(F)C=C1 CS11616 [0,2,0,0,0,0|0,0,0]=2 1023 B12R1.367 COC(=O)C1=CC(N)=C(I)C=C1 CS11618 [0,2,0,0,0,0|0,0,0]=2 1024 B12R1.367 COC(=O)C1=CC(N)=C(N)C=C1 CS20450 [0,2,0,0,0,0|0,0,0]=2 1025 B12R1.367 COC(=O)C1=CC(N)=C(O)C=C1 CS11617 [0,2,0,0,0,0|0,0,0]=2 1026 B12R1.367 COC(=O)C1=CC(O)=C(Br)C=C1 CS11639 [0,2,0,0,0,0|0,0,0]=2 1027 B12R1.367 COC(=O)C1=CC(O)=C(Cl)C=C1 CS15706 [0,2,0,0,0,0|0,0,0]=2 1028 B12R1.367 COC(=O)C1=CC(O)=C(I)C=C1 CS11687 [0,2,0,0,0,0|0,0,0]=2 1029 B12R1.367 COC(=O)C1=CC(O)=C(N)C=C1 CS21024 [0,2,0,0,0,0|0,0,0]=2 1030 B12R1.367 COC(=O)C1=CC(O)=C(O)C=C1 CS20955 [0,2,0,0,0,0|0,0,0]=2 1031 B12R1.367 COC(=O)C1=CC(S)=C(N)C=C1 MC427483 [0,2,0,0,0,0|0,0,0]=2 1032 B12R1.367 COC(=O)C1=CN=C(Br)C(C)=C1 MC443715 [0,2,0,0,0,0|1,0,0]=3 1033 B12R1.367 COC(=O)C1=CN=C(Br)C(F)=C1 MC430144 [0,2,0,0,0,0|1,0,0]=3 1034 B12R1.367 COC(=O)C1=CN=C(Cl)C(Br)=C1 CS15946 [0,2,0,0,0,0|1,0,0]=3 1035 B12R1.367 COC(=O)C1=CN=C(Cl)C(C)=C1 CS17661 [0,2,0,0,0,0|1,0,0]=3 1036 B12R1.367 COC(=O)C1=CN=C(Cl)C(F)=C1 MC429992 [0,2,0,0,0,0|1,0,0]=3 1037 B12R1.367 COC(=O)C1=CN=C(Cl)C(O)=C1 CS17660 [0,2,0,0,0,0|1,0,0]=3 1038 B12R1.367 COC(=O)C1=CN=C(N)C(C)=C1 MC431245 [0,2,0,0,0,0|1,0,0]=3 1039 B12R1.367 COC(=O)C1=COC(=O)C(Br)=C1 CS11621 [0,2,0,0,0,0|1,0,0]=3 1040 B12R1.367 COC(=O)C1=NC(Br)=C(C)C=C1 CS19533 [0,2,0,0,0,0|1,0,0]=3 1041 B12R1.367 COC(=O)C1=NC(Br)=C(N)N=C1 MC444545 [0,2,0,0,0,0|2,0,0]=4 1042 B12R1.367 COC(=O)C1=NC(C)=C(Br)C=C1 CS16719 [0,2,0,0,0,0|1,0,0]=3 1043 B12R1.367 COC(=O)C1=NC(C)=C(C)N=C1 CS16868 [0,2,0,0,0,0|2,0,0]=4 1044 B12R1.367 COC(=O)C1=NC(C)=C(Cl)N=C1 MC10335 [0,2,0,0,0,0|2,0,0]=4 1045 B12R1.367 COC(=O)C1=NC(Cl)=C(Br)C=C1 CS16862 [0,2,0,0,0,0|1,0,0]=3 1046 B12R1.367 COC(=O)C1=NC(Cl)=C(C)C=C1 CS16029 [0,2,0,0,0,0|1,0,0]=3 1047 B12R1.367 COC(=O)C1=NC(Cl)=C(Cl)C=C1 CS16003 [0,2,0,0,0,0|1,0,0]=3 1048 B12R1.367 COC(=O)C1=NC(I)=C(N)N=C1 MC104767 [0,2,0,0,0,0|2,0,0]=4 1049 B12R1.367 COC(=O)C1=NC(N)=C(Br)C=C1 MC430945 [0,2,0,0,0,0|1,0,0]=3 1050 B12R1.367 COC(=O)C1=NC(N)=C(N)C=C1 MC112955 [0,2,0,0,0,0|1,0,0]=3 1051 B12R1.367 COC(=O)C1=NC(O)=C(C)C=C1 MC428183 [0,2,0,0,0,0|1,0,0]=3 1052 B12R1.367 COC(=O)C1=NC(O)=C(O)C=C1 MC102411 [0,2,0,0,0,0|1,0,0]=3 1053 B12R1.367 COC(=O)C1=NC=C(Br)C(C)=C1 CS17574 [0,2,0,0,0,0|1,0,0]=3 1054 B12R1.367 COC(=O)C1=NC=C(C)C(Br)=C1 MC432006 [0,2,0,0,0,0|1,0,0]=3 1055 B12R1.367 COC(=O)C1=NC=C(C)C(Cl)=C1 CS16028 [0,2,0,0,0,0|1,0,0]=3 1056 B12R1.367 COC(=O)C1=NC=C(Cl)C(Cl)=C1 CS17982 [0,2,0,0,0,0|1,0,0]=3 1057 B12R1.367 COC(=O)C1=NC=C(N)C(N)=C1 CS16611 [0,2,0,0,0,0|1,0,0]=3 1058 B12R1.367 COC(=O)C1=NC=C(O)C(O)=C1 MC102001 [0,2,0,0,0,0|1,0,0]=3 1059 B12R1.367 NCC(=O)C1=CC(F)=C(Br)C=C1 MC114806 [0,2,0,0,0,0|2,0,0]=4 1060 B12R1.367 O=C(CBr)C1=CC(Cl)=C(Cl)C=C1 MC41226 [0,2,0,0,0,0|2,0,0]=4 1061 B12R1.367 O=C(CBr)C1=CC(F)=C(Br)C=C1 MC114804 [0,2,0,0,0,0|2,0,0]=4 1062 B12R1.367 O=C(CBr)C1=CC(F)=C(F)C=C1 CS20625 [0,2,0,0,0,0|2,0,0]=4 1063 B12R1.367 O=C(CCl)C1=CC(F)=C(Br)C=C1 MC114805 [0,2,0,0,0,0|2,0,0]=4 1064 B12R1.367 O=C(CCl)c1ccc(F)c(F)c1 MC433220 [0,2,0,0,0,0|2,0,0]=4 1065 B12R1.1703 CCC(=O)C1=C(F)C=C(Br)C=C1 MC442253 [0,2,0,0,0,0|1,0,0]=3 1066 B12R1.1703 CNC(=O)C1=C(Br)C=C(F)C=C1 MC41012 [0,2,0,0,0,0|1,0,0]=3 1067 B12R1.1703 CNC(=O)C1=C(F)C=C(Br)C=C1 MC433813 [0,2,0,0,0,0|1,0,0]=3 1068 B12R1.1703 CNC(=O)C1=C(F)C=C(I)C=C1 MC433812 [0,2,0,0,0,0|1,0,0]=3 1069 B12R1.1703 CNC(=O)c1ccc(N)cc1F MC443851 [0,2,0,0,0,0|1,0,0]=3 1070 B12R1.1703 COC(=O)C1=C(Br)C=C(Cl)C=C1 CS14759 [0,2,0,0,0,0|0,0,0]=2 1071 B12R1.1703 COC(=O)C1=C(Br)C=C(F)C=C1 MC433602 [0,2,0,0,0,0|0,0,0]=2 1072 B12R1.1703 COC(=O)C1=C(Br)C=C(I)C=C1 MC103303 [0,2,0,0,0,0|0,0,0]=2 1073 B12R1.1703 COC(=O)C1=C(Br)N=C(C)C=C1 MC443365 [0,2,0,0,0,0|1,0,0]=3 1074 B12R1.1703 COC(=O)C1=C(C)C=C(Br)C=C1 CS12236 [0,2,0,0,0,0|0,0,0]=2 1075 B12R1.1703 COC(=O)C1=C(C)C=C(F)C=C1 CS15071 [0,2,0,0,0,0|0,0,0]=2 1076 B12R1.1703 COC(=O)C1=C(C)C=C(N)C=C1 CS22283 [0,2,0,0,0,0|0,0,0]=2 1077 B12R1.1703 COC(=O)C1=C(C)C=C(O)C=C1 CS13812 [0,2,0,0,0,0|0,0,0]=2 1078 B12R1.1703 COC(=O)C1=C(C)N=C(N)C=C1 CS16936 [0,2,0,0,0,0|1,0,0]=3 1079 B12R1.1703 COC(=O)C1=C(Cl)C=C(Br)C=C1 CS16949 [0,2,0,0,0,0|0,0,0]=2 1080 B12R1.1703 COC(=O)C1=C(Cl)C=C(Cl)N=N1 CS12429 [0,2,0,0,0,0|2,0,0]=4 1081 B12R1.1703 COC(=O)C1=C(Cl)C=C(F)C=C1 CS19781 [0,2,0,0,0,0|0,0,0]=2 1082 B12R1.1703 COC(=O)C1=C(Cl)C=C(N)C=C1 CS14483 [0,2,0,0,0,0|0,0,0]=2 1083 B12R1.1703 COC(=O)C1=C(Cl)C=C(O)C=C1 CS19702 [0,2,0,0,0,0|0,0,0]=2 1084 B12R1.1703 COC(=O)C1=C(Cl)N=C(Br)C=C1 MC431232 [0,2,0,0,0,0|1,0,0]=3 1085 B12R1.1703 COC(=O)C1=C(F)C=C(Br)C=C1 CS13466 [0,2,0,0,0,0|0,0,0]=2 1086 B12R1.1703 COC(=O)C1=C(F)C=C(C)C=C1 MC429625 [0,2,0,0,0,0|0,0,0]=2 1087 B12R1.1703 COC(=O)C1=C(F)C=C(F)C=C1 CS19771 [0,2,0,0,0,0|0,0,0]=2 1088 B12R1.1703 COC(=O)C1=C(F)C=C(I)C=C1 MC433679 [0,2,0,0,0,0|0,0,0]=2 1089 B12R1.1703 COC(=O)C1=C(F)C=C(N)C=C1 CS18453 [0,2,0,0,0,0|0,0,0]=2 1090 B12R1.1703 COC(=O)C1=C(F)C=C(O)C=C1 CS13813 [0,2,0,0,0,0|0,0,0]=2 1091 B12R1.1703 COC(=O)C1=C(F)N=C(Cl)C=C1 CS17031 [0,2,0,0,0,0|1,0,0]=3 1092 B12R1.1703 COC(=O)C1=C(N)C=C(Br)C=C1 CS13629 [0,2,0,0,0,0|0,0,0]=2 1093 B12R1.1703 COC(=O)C1=C(N)C=C(C)C=C1 CS12400 [0,2,0,0,0,0|0,0,0]=2 1094 B12R1.1703 COC(=O)C1=C(N)C=C(Cl)C=C1 MC20246 [0,2,0,0,0,0|0,0,0]=2 1095 B12R1.1703 COC(=O)C1=C(N)C=C(F)C=C1 MC429410 [0,2,0,0,0,0|0,0,0]=2 1096 B12R1.1703 COC(=O)C1=C(O)C=C(F)C=C1 MC433676 [0,2,0,0,0,0|0,0,0]=2 1097 B12R1.1703 COC(=O)C1=C(O)C=C(N)C=C1 CS21027 [0,2,0,0,0,0|0,0,0]=2 1098 B12R1.1703 COC(=O)C1=C(O)C=C(O)C=C1 CS11594 [0,2,0,0,0,0|0,0,0]=2 1099 B12R1.1703 COC(=O)C1=CC=C(Cl)C=C1O CS11643 [0,2,0,0,0,0|0,0,0]=2 1100 B12R1.1703 COC(=O)C1=CN=C(Br)C=C1Cl MC33266 [0,2,0,0,0,0|1,0,0]=3 1101 B12R1.1703 COC(=O)C1=CN=C(C)N=C1Cl MC443339 [0,2,0,0,0,0|2,0,0]=4 1102 B12R1.1703 COC(=O)C1=CN=C(Cl)C=C1C MC431919 [0,2,0,0,0,0|1,0,0]=3 1103 B12R1.1703 COC(=O)C1=CN=C(Cl)C=C1Cl CS15535 [0,2,0,0,0,0|1,0,0]=3 1104 B12R1.1703 COC(=O)C1=CN=C(Cl)N=C1C MC432032 [0,2,0,0,0,0|2,0,0]=4 1105 B12R1.1703 COC(=O)C1=CN=C(Cl)N=C1Cl CS11682 [0,2,0,0,0,0|2,0,0]=4 1106 B12R1.1703 COC(=O)C1=CN=C(Cl)N=C1N CS13688 [0,2,0,0,0,0|2,0,0]=4 1107 B12R1.1703 COC(=O)C1=CN=C(F)C=C1F MC431866 [0,2,0,0,0,0|1,0,0]=3 1108 B12R1.1703 COC(=O)C1=CN=C(N)N=C1C MC442170 [0,2,0,0,0,0|2,0,0]=4 1109 B12R1.1703 COC(=O)C1=CN=C(N)NC1=O MC442169 [0,2,0,0,0,0|2,0,0]=4 1110 B12R1.1703 COC(=O)C1=CN=C(O)C=C1O MC33270 [0,2,0,0,0,0|1,0,0]=3 1111 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1C CS17567 [0,2,0,0,0,0|1,0,0]=3 1112 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1Cl CS17200 [0,2,0,0,0,0|1,0,0]=3 1113 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1O CS15641 [0,2,0,0,0,0|1,0,0]=3 1114 B12R1.1703 COC(=O)C1=NC=C(Br)N=C1Br MC113249 [0,2,0,0,0,0|2,0,0]=4 1115 B12R1.1703 COC(=O)C1=NC=C(C)N=C1Cl MC116442 [0,2,0,0,0,0|2,0,0]=4 1116 B12R1.1703 COC(=O)C1=NC=C(Cl)C=C1Br MC106512 [0,2,0,0,0,0|1,0,0]=3 1117 B12R1.1703 COC(=O)C1=NC=C(Cl)C=C1N MC431192 [0,2,0,0,0,0|1,0,0]=3 1118 B12R1.1703 COC(=O)C1=NC=C(Cl)C=C1O MC102705 [0,2,0,0,0,0|1,0,0]=3 1119 B12R1.1703 COC(=O)C1=NC=C(Cl)N=C1Cl MC442254 [0,2,0,0,0,0|2,0,0]=4 1120 B12R1.1703 COC(=O)C1=NC=C(Cl)N=C1N CS15391 [0,2,0,0,0,0|2,0,0]=4 1121 B12R1.1703 COC(=O)C1=NC=C(F)C=C1C MC431705 [0,2,0,0,0,0|1,0,0]=3 1122 B12R1.1703 COC(=O)C1=NC=C(F)C=C1Cl MC432344 [0,2,0,0,0,0|1,0,0]=3 1123 B12R1.1703 O=C(CBr)C1=C(Cl)C=C(Cl)C=C1 MC41224 [0,2,0,0,0,0|2,0,0]=4 1124 B12R1.1703 O=C(CBr)C1=C(F)C=C(Br)C=C1 CS13247 [0,2,0,0,0,0|2,0,0]=4 1125 B12R1.1703 O=C(CBr)C1=C(F)C=C(F)C=C1 MC429429 [0,2,0,0,0,0|2,0,0]=4 1126 B12R1.1703 O=C(CCl)C1=C(F)C=C(F)C=C1 CS10678 [0,2,0,0,0,0|2,0,0]=4 1127 B12R1.1703 O=C(CF)C1=C(O)C=C(Br)C=C1 MC433215 [0,2,0,0,0,0|2,0,0]=4 1128 B12R1.24 CCC(=O)C1=C(Br)C(F)=CC=C1 MC443267 [0,2,0,0,0,0|1,0,0]=3 1129 B12R1.24 CNC(=O)C1=C(C)C(N)=CC=C1 MC442811 [0,2,0,0,0,0|1,0,0]=3 1130 B12R1.24 COC(=O)C1=C(Br)C(C)=CC=C1 CS13594 [0,2,0,0,0,0|0,0,0]=2 1131 B12R1.24 COC(=O)C1=C(C)C(Br)=CC=C1 CS22137 [0,2,0,0,0,0|0,0,0]=2 1132 B12R1.24 COC(=O)C1=C(C)C(C)=CC=C1 MC40100 [0,2,0,0,0,0|0,0,0]=2 1133 B12R1.24 COC(=O)C1=C(C)C(Cl)=NC=C1 MC113400 [0,2,0,0,0,0|1,0,0]=3 1134 B12R1.24 COC(=O)C1=C(C)C(N)=CC=C1 MC40061 [0,2,0,0,0,0|0,0,0]=2 1135 B12R1.24 COC(=O)C1=C(F)C(Br)=CC=C1 CS14449 [0,2,0,0,0,0|0,0,0]=2 1136 B12R1.24 COC(=O)C1=C(F)C(C)=CC=C1 MC433686 [0,2,0,0,0,0|0,0,0]=2 1137 B12R1.24 COC(=O)C1=C(F)C(Cl)=CC=C1 CS16697 [0,2,0,0,0,0|0,0,0]=2 1138 B12R1.24 COC(=O)C1=C(F)C(Cl)=NC=C1 CS20030 [0,2,0,0,0,0|1,0,0]=3 1139 B12R1.24 COC(=O)C1=C(F)C(F)=NC=C1 MC433053 [0,2,0,0,0,0|1,0,0]=3 1140 B12R1.24 COC(=O)C1=C(F)C(N)=CC=C1 MC20871 [0,2,0,0,0,0|0,0,0]=2 1141 B12R1.24 COC(=O)C1=C(N)C(Br)=CC=C1 CS15036 [0,2,0,0,0,0|0,0,0]=2 1142 B12R1.24 COC(=O)C1=C(N)C(C)=CC=C1 CS21163 [0,2,0,0,0,0|0,0,0]=2 1143 B12R1.24 COC(=O)C1=C(N)C(C)=NC=C1 MC104239 [0,2,0,0,0,0|1,0,0]=3 1144 B12R1.24 COC(=O)C1=C(N)C(Cl)=CC=C1 CS10850 [0,2,0,0,0,0|0,0,0]=2 1145 B12R1.24 COC(=O)C1=C(N)C(Cl)=NC=C1 CS18050 [0,2,0,0,0,0|1,0,0]=3 1146 B12R1.24 COC(=O)C1=C(N)C(F)=CC=C1 CS15337 [0,2,0,0,0,0|0,0,0]=2 1147 B12R1.24 COC(=O)C1=C(N)C(N)=CC=C1 MC40092 [0,2,0,0,0,0|0,0,0]=2 1148 B12R1.24 COC(=O)C1=C(N)C(O)=CC=C1 CS14773 [0,2,0,0,0,0|0,0,0]=2 1149 B12R1.24 COC(=O)C1=C(O)C(Br)=CC=C1 CS17379 [0,2,0,0,0,0|0,0,0]=2 1150 B12R1.24 COC(=O)C1=C(O)C(Cl)=CC=C1 CS12991 [0,2,0,0,0,0|0,0,0]=2 1151 B12R1.24 COC(=O)C1=C(O)C(Cl)=NC=C1 MC432365 [0,2,0,0,0,0|1,0,0]=3 1152 B12R1.24 COC(=O)C1=C(O)C(F)=CC=C1 MC433675 [0,2,0,0,0,0|0,0,0]=2 1153 B12R1.24 COC(=O)C1=CN=CC(Br)=C1Cl CS17481 [0,2,0,0,0,0|1,0,0]=3 1154 B12R1.24 COC(=O)C1=NC=CC(Cl)=C1C CS15774 [0,2,0,0,0,0|1,0,0]=3 1155 B12R1.24 COC(=O)C1=NC=CC(Cl)=C1F MC431620 [0,2,0,0,0,0|1,0,0]=3 1156 B12R1.24 COC(=O)C1=NC=C[N+]([O-])=C1N MC110836 [0,2,0,0,0,0|2,0,0]=4 1157 B12R1.24 NC1=C(C(=O)C=O)C=CC=C1F MC434029 [0,2,0,0,0,0|2,0,0]=4 1158 B12R1.225 CN(C)C(=O)C1=CC(S)=CC=C1 MC107153 [0,2,0,0,0,0|1,0,0]=3 1159 B12R1.354 CCC(=O)C1=C(N)C=CC(Br)=C1 MC443456 [0,2,0,0,0,0|1,0,0]=3 1160 B12R1.354 CCC(=O)C1=C(O)C=CC(F)=C1 MC41283 [0,2,0,0,0,0|1,0,0]=3 1161 B12R1.354 COC(=O)C1=C(Br)C=CC(Br)=C1 MC30181 [0,2,0,0,0,0|0,0,0]=2 1162 B12R1.354 COC(=O)C1=C(Br)C=CC(Cl)=C1 MC20597 [0,2,0,0,0,0|0,0,0]=2 1163 B12R1.354 COC(=O)C1=C(Br)C=CC(F)=C1 MC433603 [0,2,0,0,0,0|0,0,0]=2 1164 B12R1.354 COC(=O)C1=C(Br)N=CC(Br)=C1 MC432376 [0,2,0,0,0,0|1,0,0]=3 1165 B12R1.354 COC(=O)C1=C(C)C=CC(Br)=C1 CS11654 [0,2,0,0,0,0|0,0,0]=2 1166 B12R1.354 COC(=O)C1=C(C)C=CC(I)=C1 MC425395 [0,2,0,0,0,0|0,0,0]=2 1167 B12R1.354 COC(=O)C1=C(C)C=CC(N)=C1 CS21166 [0,2,0,0,0,0|0,0,0]=2 1168 B12R1.354 COC(=O)C1=C(C)C=CC(O)=C1 MC433698 [0,2,0,0,0,0|0,0,0]=2 1169 B12R1.354 COC(=O)C1=C(C)N=CC(Br)=C1 CS16882 [0,2,0,0,0,0|1,0,0]=3 1170 B12R1.354 COC(=O)C1=C(Cl)C=CC(Br)=C1 MC40067 [0,2,0,0,0,0|0,0,0]=2 1171 B12R1.354 COC(=O)C1=C(Cl)C=CC(N)=C1 CS13095 [0,2,0,0,0,0|0,0,0]=2 1172 B12R1.354 COC(=O)C1=C(Cl)N=CC(Br)=C1 MC20660 [0,2,0,0,0,0|1,0,0]=3 1173 B12R1.354 COC(=O)C1=C(Cl)N=CC(Cl)=C1 CS11595 [0,2,0,0,0,0|1,0,0]=3 1174 B12R1.354 COC(=O)C1=C(Cl)N=CC(N)=C1 MC430594 [0,2,0,0,0,0|1,0,0]=3 1175 B12R1.354 COC(=O)C1=C(Cl)N=CC(O)=C1 MC441023 [0,2,0,0,0,0|1,0,0]=3 1176 B12R1.354 COC(=O)C1=C(Cl)N=NC(Cl)=C1 MC444520 [0,2,0,0,0,0|2,0,0]=4 1177 B12R1.354 COC(=O)C1=C(F)C=CC(Br)=C1 CS16724 [0,2,0,0,0,0|0,0,0]=2 1178 B12R1.354 COC(=O)C1=C(F)C=CC(F)=C1 MC31131 [0,2,0,0,0,0|0,0,0]=2 1179 B12R1.354 COC(=O)C1=C(F)C=CC(I)=C1 MC433680 [0,2,0,0,0,0|0,0,0]=2 1180 B12R1.354 COC(=O)C1=C(F)C=CC(N)=C1 MC40058 [0,2,0,0,0,0|0,0,0]=2 1181 B12R1.354 COC(=O)C1=C(F)C=CC(O)=C1 MC429613 [0,2,0,0,0,0|0,0,0]=2 1182 B12R1.354 COC(=O)C1=C(F)N=CC(Br)=C1 CS12499 [0,2,0,0,0,0|1,0,0]=3 1183 B12R1.354 COC(=O)C1=C(I)C=CC(Br)=C1 CS12739 [0,2,0,0,0,0|0,0,0]=2 1184 B12R1.354 COC(=O)C1=C(N)C=CC(Br)=C1 CS10841 [0,2,0,0,0,0|0,0,0]=2 1185 B12R1.354 COC(=O)C1=C(N)C=CC(C)=C1 CS12341 [0,2,0,0,0,0|0,0,0]=2 1186 B12R1.354 COC(=O)C1=C(N)C=CC(Cl)=C1 CS20900 [0,2,0,0,0,0|0,0,0]=2 1187 B12R1.354 COC(=O)C1=C(N)C=CC(F)=C1 MC33104 [0,2,0,0,0,0|0,0,0]=2 1188 B12R1.354 COC(=O)C1=C(N)C=CC(I)=C1 CS19327 [0,2,0,0,0,0|0,0,0]=2 1189 B12R1.354 COC(=O)C1=C(N)N=CC(Br)=C1 CS19724 [0,2,0,0,0,0|1,0,0]=3 1190 B12R1.354 COC(=O)C1=C(O)C=CC(Br)=C1 CS11656 [0,2,0,0,0,0|0,0,0]=2 1191 B12R1.354 COC(=O)C1=C(O)C=CC(Cl)=C1 MC427365 [0,2,0,0,0,0|0,0,0]=2 1192 B12R1.354 COC(=O)C1=C(O)C=CC(O)=C1 CS20958 [0,2,0,0,0,0|0,0,0]=2 1193 B12R1.354 COC(=O)C1=C(O)N=CC(C)=C1 MC432223 [0,2,0,0,0,0|1,0,0]=3 1194 B12R1.354 COC(=O)C1=CC(Br)=NC=C1N MC102353 [0,2,0,0,0,0|1,0,0]=3 1195 B12R1.354 COC(=O)C1=CC(Cl)=NC=C1N CS17055 [0,2,0,0,0,0|1,0,0]=3 1196 B12R1.354 COC(=O)C1=CC(Cl)=NC=C1O MC443384 [0,2,0,0,0,0|1,0,0]=3 1197 B12R1.354 COC(=O)C1=CC(N)=NC=C1Br CS12420 [0,2,0,0,0,0|1,0,0]=3 1198 B12R1.354 COC(=O)C1=CC(O)=NC=C1Br CS12235 [0,2,0,0,0,0|1,0,0]=3 1199 B12R1.354 COC(=O)C1=NC(Br)=CC=C1N CS15657 [0,2,0,0,0,0|1,0,0]=3 1200 B12R1.354 COC(=O)C1=NC(Br)=CC=C1O CS16597 [0,2,0,0,0,0|1,0,0]=3 1201 B12R1.354 COC(=O)C1=NC(Br)=CN=C1Br CS12563 [0,2,0,0,0,0|2,0,0]=4 1202 B12R1.354 COC(=O)C1=NC(Br)=CN=C1N CS12122 [0,2,0,0,0,0|2,0,0]=4 1203 B12R1.354 COC(=O)C1=NC(C)=CC=C1O MC111036 [0,2,0,0,0,0|1,0,0]=3 1204 B12R1.354 COC(=O)C1=NC(C)=CN=C1C CS17622 [0,2,0,0,0,0|2,0,0]=4 1205 B12R1.354 COC(=O)C1=NC(Cl)=CC=C1C CS12796 [0,2,0,0,0,0|1,0,0]=3 1206 B12R1.354 COC(=O)C1=NC(Cl)=CC=C1N CS15661 [0,2,0,0,0,0|1,0,0]=3 1207 B12R1.354 COC(=O)C1=NC(Cl)=CN=C1Br MC444526 [0,2,0,0,0,0|2,0,0]=4 1208 B12R1.354 COC(=O)C1=NC(Cl)=CN=C1N CS12187 [0,2,0,0,0,0|2,0,0]=4 1209 B12R1.354 COC(=O)C1=NC(F)=CC=C1F MC432234 [0,2,0,0,0,0|1,0,0]=3 1210 B12R1.354 COC(=O)C1=NC(I)=CN=C1N CS12242 [0,2,0,0,0,0|2,0,0]=4 1211 B12R1.354 NCC(=O)C1=C(F)C=CC(F)=C1 CS17892 [0,2,0,0,0,0|2,0,0]=4 1212 B12R1.354 O=C(CCl)c1cc(F)ccc1F MC433219 [0,2,0,0,0,0|2,0,0]=4 1213 B12R1.358 CCC(=O)c1cc(Cl)cc(Cl)c1 MC433260 [0,2,0,0,0,0|1,0,0]=3 1214 B12R1.358 COC(=O)C1=CC(=O)NC(=O)N1 CS11678 [0,2,0,0,0,0|2,0,0]=4 1215 B12R1.358 COC(=O)C1=CC(Br)=CC(Br)=C1 CS20674 [0,2,0,0,0,0|0,0,0]=2 1216 B12R1.358 COC(=O)C1=CC(Br)=CC(C)=C1 CS14373 [0,2,0,0,0,0|0,0,0]=2 1217 B12R1.358 COC(=O)C1=CC(Br)=CC(I)=C1 MC433610 [0,2,0,0,0,0|0,0,0]=2 1218 B12R1.358 COC(=O)C1=CC(Br)=NC(Br)=C1 MC41621 [0,2,0,0,0,0|1,0,0]=3 1219 B12R1.358 COC(=O)C1=CC(Cl)=NC(C)=C1 CS14289 [0,2,0,0,0,0|1,0,0]=3 1220 B12R1.358 COC(=O)C1=CC(Cl)=NC(Cl)=C1 CS11596 [0,2,0,0,0,0|1,0,0]=3 1221 B12R1.358 COC(=O)C1=CC(F)=CC(F)=C1 MC40098 [0,2,0,0,0,0|0,0,0]=2 1222 B12R1.358 COC(=O)C1=CC(N)=CC(Br)=C1 CS22074 [0,2,0,0,0,0|0,0,0]=2 1223 B12R1.358 COC(=O)C1=CC(N)=CC(C)=C1 CS11619 [0,2,0,0,0,0|0,0,0]=2 1224 B12R1.358 COC(=O)C1=CC(N)=CC(Cl)=C1 CS12426 [0,2,0,0,0,0|0,0,0]=2 1225 B12R1.358 COC(=O)C1=CC(N)=CC(F)=C1 CS13225 [0,2,0,0,0,0|0,0,0]=2 1226 B12R1.358 COC(=O)C1=CC(O)=CC(O)=C1 CS20957 [0,2,0,0,0,0|0,0,0]=2 1227 B12R1.358 COC(=O)C1=NC(C)=CC(C)=C1 MC432026 [0,2,0,0,0,0|1,0,0]=3 1228 B12R1.358 COC(=O)C1=NC(C)=CC(N)=N1 MC103517 [0,2,0,0,0,0|2,0,0]=4 1229 B12R1.358 COC(=O)C1=NC(Cl)=CC(Br)=C1 MC111115 [0,2,0,0,0,0|1,0,0]=3 1230 B12R1.358 COC(=O)C1=NC(Cl)=CC(Cl)=C1 CS14945 [0,2,0,0,0,0|1,0,0]=3 1231 B12R1.358 COC(=O)C1=NC(Cl)=NC(Cl)=C1 CS15387 [0,2,0,0,0,0|2,0,0]=4 1232 B12R1.358 COC(=O)C1=NC(N)=NC(Cl)=C1 MC431547 [0,2,0,0,0,0|2,0,0]=4 1233 B12R1.358 O=C(CBr)C1=CC(Cl)=CC(Cl)=C1 CS16723 [0,2,0,0,0,0|2,0,0]=4 1234 B12R1.358 O=C(CBr)C1=CC(F)=CC(F)=C1 MC31088 [0,2,0,0,0,0|2,0,0]=4 1235 B12R1.435 C#CC1=CC=CC(C(=O)OC)=C1 CS16050 [0,2,0,0,0,0|0,0,0]=2 1236 B12R1.435 C#CC1=CC=CC(C(=O)OC)=N1 MC105758 [0,2,0,0,0,0|1,0,0]=3 1237 B12R1.435 CCC(=O)C1=CC(OC)=CC=C1 CS22346 [0,2,0,0,0,0|1,0,0]=3 1238 B12R1.435 CNC(=O)C1=CC(CN)=CC=C1 MC100301 [0,2,0,0,0,0|1,0,0]=3 1239 B12R1.435 COC(=O)C1=CC(C#N)=CC=C1 CS18708 [0,2,0,0,0,0|0,0,0]=2 1240 B12R1.435 COC(=O)C1=CC(C#N)=NC=C1 CS21510 [0,2,0,0,0,0|1,0,0]=3 1241 B12R1.435 COC(=O)C1=CC(C=O)=CC=C1 CS21632 [0,2,0,0,0,0|0,0,0]=2 1242 B12R1.435 COC(=O)C1=CC(C=O)=NC=C1 CS16859 [0,2,0,0,0,0|1,0,0]=3 1243 B12R1.435 COC(=O)C1=CC(CBr)=CC=C1 CS21662 [0,2,0,0,0,0|0,0,0]=2 1244 B12R1.435 COC(=O)C1=CC(CBr)=NC=C1 CS17850 [0,2,0,0,0,0|1,0,0]=3 1245 B12R1.435 COC(=O)C1=CC(CBr)=NC=C1 MC430896 [0,2,0,0,0,0|1,0,0]=3 1246 B12R1.435 COC(=O)C1=CC(CN)=CC=C1 CS11610 [0,2,0,0,0,0|0,0,0]=2 1247 B12R1.435 COC(=O)C1=CC(CO)=NC=C1 MC105759 [0,2,0,0,0,0|1,0,0]=3 1248 B12R1.435 COC(=O)C1=CC(OC)=NC=C1 CS11608 [0,2,0,0,0,0|1,0,0]=3 1249 B12R1.435 COC(=O)C1=CN=CC(CO)=C1 CS10405 [0,2,0,0,0,0|1,0,0]=3 1250 B12R1.435 COC(=O)C1=NC(CBr)=CC=C1 CS21402 [0,2,0,0,0,0|1,0,0]=3 1251 B12R1.435 COC(=O)C1=NC(OC)=CC=C1 MC425550 [0,2,0,0,0,0|1,0,0]=3 1252 B12R1.435 COC(=O)C1=NC=CC(CBr)=C1 MC429714 [0,2,0,0,0,0|1,0,0]=3 1253 B12R1.435 COC(=O)C1=NC=CC(OC)=C1 CS21029 [0,2,0,0,0,0|1,0,0]=3 1254 B12R1.435 COC(=O)c1cccc(CO)n1 MC434008 [0,2,0,0,0,0|1,0,0]=3 1255 B12R1.435 COC(=O)c1cccc(SCl)c1 MC433971 [0,2,0,0,0,0|0,0,0]=2 1256 B12R1.435 COC1=CC=CC(C(=O)CBr)=C1 CS11021 [0,2,0,0,0,0|2,0,0]=4 1257 B12R1.435 COC1=CC=CC(C(=O)NN)=C1 MC41005 [0,2,0,0,0,0|2,0,0]=4 1258 B12R1.435 N#CC1=CC=CC(C(=O)CBr)=C1 CS21406 [0,2,0,0,0,0|2,0,0]=4 1259 B12R1.124 NC1=C(C(=O)C(=O)[O-])C=CC=C1 MC427207 [0,2,0,0,0,0|2,0,0]=4 1260 B12R1.124 O=C(Cl)C(=O)C1=C(Cl)C=CC=C1 MC105996 [0,2,0,0,0,0|2,0,0]=4 1261 B12R1.124 O=C(O)C(=O)C1=C(Br)C=CC=C1 CS16464 [0,2,0,0,0,0|2,0,0]=4 1262 B12R1.564 CC(C)(O)C(=O)C1=CC=CC=C1 CS15837 [0,2,0,0,0,0|1,0,0]=3 1263 B12R1.564 O=C(C1=CC=CC=C1)C(F)(F)F MC41272 [0,2,0,0,0,0|2,0,0]=4 1264 B12R1.77 C=CC1=C(C(=O)OC)C=CC=N1 MC429151 [0,2,0,0,0,0|1,0,0]=3 1265 B12R1.77 COC(=O)C1=C(C#N)C=CC=C1 MC40089 [0,2,0,0,0,0|0,0,0]=2 1266 B12R1.77 COC(=O)C1=C(C#N)N=CC=C1 MC33457 [0,2,0,0,0,0|1,0,0]=3 1267 B12R1.77 COC(=O)C1=C(C=O)C=CC=C1 CS21630 [0,2,0,0,0,0|0,0,0]=2 1268 B12R1.77 COC(=O)C1=C(C=O)N=CC=C1 MC431364 [0,2,0,0,0,0|1,0,0]=3 1269 B12R1.77 COC(=O)C1=C(CBr)C=CC=C1 CS18185 [0,2,0,0,0,0|0,0,0]=2 1270 B12R1.77 COC(=O)C1=C(OC)C=NC=C1 MC431681 [0,2,0,0,0,0|1,0,0]=3 1271 B12R1.77 COC(=O)C1=C(OC)N=CC=C1 CS13707 [0,2,0,0,0,0|1,0,0]=3 1272 B12R1.77 COC(=O)C1=CN=CC=C1OC MC425461 [0,2,0,0,0,0|1,0,0]=3 1273 B12R1.77 COC(=O)C1=NC=CC=C1C=O MC102694 [0,2,0,0,0,0|1,0,0]=3 1274 B12R1.77 COC(=O)C1=NC=CC=C1OC CS22344 [0,2,0,0,0,0|1,0,0]=3 1275 B12R1.77 COC1=C(C(=O)CBr)C=CC=C1 CS11020 [0,2,0,0,0,0|2,0,0]=4 1276 B12R1.77 N#CC1=C(C(=O)NN)C=CC=C1 CS16910 [0,2,0,0,0,0|2,0,0]=4 1277 B12R1.3441 COC(=O)C1=C(Br)C=CC=C1C CS12101 [0,2,0,0,0,0|0,0,0]=2 1278 B12R1.3441 COC(=O)C1=C(Br)C=CC=C1F MC433604 [0,2,0,0,0,0|0,0,0]=2 1279 B12R1.3441 COC(=O)C1=C(C)C=NNC1=O MC104815 [0,2,0,0,0,0|2,0,0]=4 1280 B12R1.3441 COC(=O)C1=C(Cl)C=CC=C1C CS21485 [0,2,0,0,0,0|0,0,0]=2 1281 B12R1.3441 COC(=O)C1=C(Cl)C=CC=C1F CS16568 [0,2,0,0,0,0|0,0,0]=2 1282 B12R1.3441 COC(=O)C1=C(Cl)C=NC=C1C MC431812 [0,2,0,0,0,0|1,0,0]=3 1283 B12R1.3441 COC(=O)C1=C(Cl)N=CC=C1C MC106351 [0,2,0,0,0,0|1,0,0]=3 1284 B12R1.3441 COC(=O)C1=C(Cl)N=CC=C1Cl CS14126 [0,2,0,0,0,0|1,0,0]=3 1285 B12R1.3441 COC(=O)C1=C(Cl)N=CC=C1I CS18087 [0,2,0,0,0,0|1,0,0]=3 1286 B12R1.3441 COC(=O)C1=C(Cl)N=CC=C1N MC102408 [0,2,0,0,0,0|1,0,0]=3 1287 B12R1.3441 COC(=O)C1=C(F)C=CC=C1C MC31076 [0,2,0,0,0,0|0,0,0]=2 1288 B12R1.3441 COC(=O)C1=C(F)C=CC=C1F MC40096 [0,2,0,0,0,0|0,0,0]=2 1289 B12R1.3441 COC(=O)C1=C(F)C=CC=C1O MC433674 [0,2,0,0,0,0|0,0,0]=2 1290 B12R1.3441 COC(=O)C1=C(F)N=CC=C1I CS19542 [0,2,0,0,0,0|1,0,0]=3 1291 B12R1.3441 COC(=O)C1=C(N)C=CC=C1F MC114607 [0,2,0,0,0,0|0,0,0]=2 1292 B12R1.3441 COC(=O)C1=C(N)C=CC=C1O CS15549 [0,2,0,0,0,0|0,0,0]=2 1293 B12R1.3441 COC(=O)c1c(N)cccc1F MC30212 [0,2,0,0,0,0|0,0,0]=2 1294 B12R1.3441 NNC(=O)C1=C(F)C=CC=C1F MC41001 [0,2,0,0,0,0|2,0,0]=4 1295 B12R1.3441 O=C(CBr)C1=C(Cl)C=CC=C1Cl MC41225 [0,2,0,0,0,0|2,0,0]=4 1296 B12R1.3441 O=C(CBr)C1=C(Cl)C=CC=C1F CS15985 [0,2,0,0,0,0|2,0,0]=4 1297 B12R1.3441 O=C(CBr)C1=C(F)C=CC=C1F MC429635 [0,2,0,0,0,0|2,0,0]=4 1298 B12R1.3441 O=C(CCl)C1=C(F)C=CC=C1F MC431099 [0,2,0,0,0,0|2,0,0]=4 1299 B10R1.20 COC1=C(C=O)C=CC=N1 CS20317 [0,0,1,1,0,0|2,0,0]=4 1300 B10R1.172 COC1=CC=CC(C=O)=C1 CS19170 [0,0,1,1,0,0|2,0,0]=4 1301 B10R1.172 COC1=CC=CC(C=O)=N1 CS20321 [0,0,1,1,0,0|2,0,0]=4 1302 B10R2.6 C1=CC=C(C2CO2)C=C1 MC20326 [1,0,0,1,0,0|0,0,2]=4 1303 B10R2.6 C1=CC=C(C2CO2)C=C1 MC445226 [1,0,0,1,0,0|0,0,2]=4 1304 B10R2.7 C1=CC2=C(C=C1)CSC2 MC114506 [1,0,0,1,0,0|0,1,1]=4 1305 B10R2.7 C1=CC2=C(C=C1)OCC2 CS20929 [1,0,0,1,0,0|2,0,0]=4 1306 B10R2.7 C1=CC2=C(C=C1)SC=C2 CS16362 [1,0,0,1,0,0|2,0,0]=4 1307 B10R2.7 C1=CC2=NON=C2C=C1 CS10977 [1,0,0,1,0,0|2,0,0]=4 1308 B10R2.7 C1=CC=C2CC=CC2=C1 MC20914 [1,0,0,1,0,0|1,0,0]=3 1309 B10R2.7 C1=CC=C2CNCC2=C1 CS11516 [1,0,0,1,0,0|1,0,1]=4 1310 B10R2.7 C1=CC=C2CNCC2=C1 MC442466 [1,0,0,1,0,0|1,0,1]=4 1311 B10R2.7 C1=CC=C2NC=CC2=C1 CS11496 [1,0,0,1,0,0|2,0,0]=4 1312 B10R2.7 C1=CC=C2NCCC2=C1 CS19084 [1,0,0,1,0,0|2,0,0]=4 1313 B10R2.7 C1=CC=C2NN=CC2=C1 CS11488 [1,0,0,1,0,0|2,0,0]=4 1314 B10R2.7 C1=CC=C2OC=CC2=C1 CS11169 [1,0,0,1,0,0|2,0,0]=4 1315 B10R2.32 O=C1CCC2=C1SC=C2 MC429082 [0,0,0,1,1,0|2,0,0]=4 1316 B12R2.18 CC1=CC2=CC=CC=C2N1C CS10010 [0,0,0,1,0,1|2,0,0]=4 1317 B12R2.18 CN1C(=O)NC2=CC=CN=C21 MC427257 [0,0,0,1,0,1|2,0,0]=4 1318 B12R2.18 CN1C(=O)OC2=C1C=CC=C2 MC10211 [0,0,0,1,0,1|1,0,0]=3 1319 B12R2.18 CN1C(N)=CC2=CC=CC=C21 MC106654 [0,0,0,1,0,1|2,0,0]=4 1320 B12R2.18 O=C1NC2=CC=CC=C2C1=O CS11506 [0,0,0,1,0,1|2,0,0]=4 1321 B12R2.23 O=C1CCC1C2=CC=CC=C2 MC104226 [0,0,0,1,0,1|1,0,0]=3 1322 B12R2.24 O=C1C=C2C=CC=CC2=NN1 CS16596 [0,0,0,1,0,1|2,0,0]=4 1323 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 MC440135 [0,0,0,1,0,1|1,0,0]=3 1324 B12R2.24 O=C1CCC2=CC=CC=C2N1 CS11038 [0,0,0,1,0,1|1,0,0]=3 1325 B12R2.24 O=C1CCC2=CC=CN=C2N1 MC113033 [0,0,0,1,0,1|2,0,0]=4 1326 B12R2.24 O=C1CCC2=CN=CC=C2N1 MC105357 [0,0,0,1,0,1|2,0,0]=4 1327 B12R2.24 O=C1CCc2ccccc2O1 MC41795 [0,0,0,1,0,1|1,0,0]=3 1328 B12R2.24 O=C1COC2=C(C=CC=C2)N1 CS21568 [0,0,0,1,0,1|2,0,0]=4 1329 B12R2.24 O=C1CSC2=CC=CC=C2C1 MC107174 [0,0,0,1,0,1|2,0,0]=4 1330 B12R2.32 CCC1=NC2=C(C=CC=C2)N1 CS18815 [0,0,0,1,0,1|2,0,0]=4 1331 B12R2.32 CSC1=NC2=C(C=CC=C2)O1 MC31049 [0,0,0,1,0,1|0,1,1]=4 1332 B12R2.32 CSC1=NC2=C(C=CC=C2)S1 MC31173 [0,0,0,1,0,1|0,2,0]=4 1333 B12R2.48 O=CC1(C2=CC=CC=C2)CC1 MC115826 [0,1,0,1,0,0|1,0,1]=4 1334 B12R2.116 NC1(C2=CC=CC=C2)COC1 MC115717 [0,1,0,1,0,0|1,0,1]=4 1335 B12R2.1 COC1=NNC2=CC=CC=C21 MC428325 [0,1,0,1,0,0|1,0,0]=3 1336 B12R2.1 O=CC1=CNC2=CC=CC=C12 CS21525 [0,1,0,1,0,0|2,0,0]=4 1337 B12R2.1 O=CC1=CSC2=C1C=CC=C2 CS21482 [0,1,0,1,0,0|2,0,0]=4 1338 B12R2.1 O=CC1=NNC2=CC=CC=C21 CS20713 [0,1,0,1,0,0|2,0,0]=4 1339 B12R2.2 C1=CC=C(C2=CC=CO2)C=C1 MC114862 [0,1,0,1,0,0|1,0,1]=4 1340 B12R2.2 C1=CC=C(C2=CN=CO2)C=C1 CS10486 [0,1,0,1,0,0|1,0,1]=4 1341 B12R2.2 C1=CC=C(C2=NC=CO2)C=C1 CS12838 [0,1,0,1,0,0|1,0,1]=4 1342 B12R2.1081 NC1COCC2=CC=CC=C21 MC100130 [0,1,0,1,0,0|1,0,1]=4 1343 B12R2.1081 O=C1C=CNC2=CC=CC=C12 CS15452 [0,1,0,1,0,0|1,0,1]=4 1344 B12R2.1081 O=C1C=NNC2=CC=CC=C12 CS20704 [0,1,0,1,0,0|2,0,0]=4 1345 B12R2.1081 O=C1CCCC2=C1C=CC=N2 CS18351 [0,1,0,1,0,0|2,0,0]=4 1346 B12R2.1081 O=C1CCCC2=C1C=CN=C2 CS16479 [0,1,0,1,0,0|2,0,0]=4 1347 B12R2.1081 O=C1CCCC2=C1C=NC=C2 CS18873 [0,1,0,1,0,0|2,0,0]=4 1348 B12R2.1081 O=C1CCCC2=C1N=CC=C2 CS15049 [0,1,0,1,0,0|2,0,0]=4 1349 B12R2.1081 O=C1CCCC2=CC=CC=C12 CS14809 [0,1,0,1,0,0|1,0,0]=3 1350 B12R2.1081 O=C1CCNC2=CC=CC=C12 CS15321 [0,1,0,1,0,0|1,0,0]=3 1351 B12R2.1081 O=C1CCNC2=CC=CC=C12 MC441207 [0,1,0,1,0,0|1,0,0]=3 1352 B12R2.1081 O=C1CCOC2=CC=CC=C12 CS22800 [0,1,0,1,0,0|1,0,0]=3 1353 B12R2.1081 O=C1COCC2=C1C=CC=C2 MC41773 [0,1,0,1,0,0|0,0,0]=2 1354 B12R2.1081 O=C1NCCC2=CC=CC=C12 CS17872 [0,1,0,1,0,0|1,0,0]=3 1355 B12R2.1081 O=C1NCCC2=CC=NC=C12 MC104301 [0,1,0,1,0,0|2,0,0]=4 1356 B12R2.1081 O=C1NN=CC2=CC=CC=C12 CS19825 [0,1,0,1,0,0|1,0,1]=4 1357 B12R2.1081 O=C1NN=NC2=C1C=CC=C2 MC20712 [0,1,0,1,0,0|2,0,0]=4 1358 B12R2.1081 O=C1OCCC2=CC=CC=C12 CS12987 [0,1,0,1,0,0|0,0,0]=2 1359 B12R2.2028 CN1C=C(Br)C2=CC=CC=C21 MC441090 [0,1,0,1,0,0|2,0,0]=4 1360 B12R2.2028 O=C1CC(Br)C2=CC=CC=C12 CS22129 [0,1,0,1,0,0|1,0,0]=3 1361 B12R2.2028 O=C1NC(=O)C2=CC=CC=C12 MC41774 [0,1,0,1,0,0|1,0,1]=4 1362 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 MC41809 [0,1,0,1,0,0|0,0,1]=3 1363 B12R2.2028 O=C1OC(=O)C2=NC=CC=C12 CS15659 [0,1,0,1,0,0|1,0,1]=4 1364 B12R2.2028 O=C1O[IH2](O)C2=C1C=CC=C2 MC20691 [0,1,0,1,0,0|1,0,0]=3 1365 B12R2.2028 O=C1[N-]C(=O)C2=CC=CC=C12 CS11876 [0,1,0,1,0,0|1,0,1]=4 1366 B12R2.612 CC1=CC2=C(C=C1)C(=O)NO2 MC115929 [0,1,0,1,0,0|2,0,0]=4 1367 B12R2.612 CC1=CC=C2C(=O)CCC2=C1 MC446693 [0,1,0,1,0,0|1,0,0]=3 1368 B12R2.612 NC1=CC=C2C(=O)CCC2=C1 MC446737 [0,1,0,1,0,0|1,0,0]=3 1369 B12R2.612 NC1=CC=C2C(=O)NCC2=C1 MC100084 [0,1,0,1,0,0|1,0,0]=3 1370 B12R2.612 O=C1CCC2=CC(Br)=CC=C12 CS21498 [0,1,0,1,0,0|1,0,0]=3 1371 B12R2.612 O=C1CCC2=CC(Cl)=CC=C12 CS22043 [0,1,0,1,0,0|1,0,0]=3 1372 B12R2.612 O=C1CCC2=CC(F)=CC=C12 MC10164 [0,1,0,1,0,0|1,0,0]=3 1373 B12R2.612 O=C1CCC2=CC(O)=CC=C12 CS11017 [0,1,0,1,0,0|1,0,0]=3 1374 B12R2.612 O=C1COC2=C1C=CC(Br)=C2 MC115907 [0,1,0,1,0,0|2,0,0]=4 1375 B12R2.612 O=C1COC2=C1C=CC(Cl)=C2 CS15082 [0,1,0,1,0,0|2,0,0]=4 1376 B12R2.612 O=C1COC2=C1C=CC(O)=C2 CS20793 [0,1,0,1,0,0|2,0,0]=4 1377 B12R2.612 O=C1NCC2=CC(Br)=CC=C12 CS12118 [0,1,0,1,0,0|1,0,0]=3 1378 B12R2.612 O=C1NCC2=CC(Br)=CN=C12 MC111565 [0,1,0,1,0,0|2,0,0]=4 1379 B12R2.612 O=C1NCC2=CC(Cl)=CC=C12 CS10349 [0,1,0,1,0,0|1,0,0]=3 1380 B12R2.612 O=C1NCC2=CC(F)=CC=C12 CS15892 [0,1,0,1,0,0|1,0,0]=3 1381 B12R2.612 O=C1NCC2=CC(O)=CC=C12 CS15015 [0,1,0,1,0,0|1,0,0]=3 1382 B12R2.612 O=C1NNC2=CC(F)=CC=C12 CS10702 [0,1,0,1,0,0|2,0,0]=4 1383 B12R2.612 O=C1NOC2=C1C=CC(F)=C2 CS16833 [0,1,0,1,0,0|2,0,0]=4 1384 B12R2.612 O=C1OCC2=C1C=NC(Cl)=C2 MC104939 [0,1,0,1,0,0|1,0,0]=3 1385 B12R2.612 O=C1OCC2=CC(Br)=CC=C12 CS10666 [0,1,0,1,0,0|0,0,0]=2 1386 B12R2.612 O=C1OCC2=CC(F)=CC=C12 MC113738 [0,1,0,1,0,0|0,0,0]=2 1387 B12R2.132 CC1=C2C=C(Cl)C=CC2=NO1 MC442810 [0,1,0,1,0,0|2,0,0]=4 1388 B12R2.132 CC1=CC=C2CCC(=O)C2=C1 MC446759 [0,1,0,1,0,0|1,0,0]=3 1389 B12R2.132 NC1=CC2=C(C=C1)COB2O MC443364 [0,1,0,1,0,0|1,0,1]=4 1390 B12R2.132 NC1=CC=C2CCC(=O)C2=C1 MC446750 [0,1,0,1,0,0|1,0,0]=3 1391 B12R2.132 O=C1CCC2=CC=C(Br)C=C12 CS18733 [0,1,0,1,0,0|1,0,0]=3 1392 B12R2.132 O=C1CCC2=CC=C(Cl)C=C12 CS13722 [0,1,0,1,0,0|1,0,0]=3 1393 B12R2.132 O=C1CCC2=CC=C(F)C=C12 MC429567 [0,1,0,1,0,0|1,0,0]=3 1394 B12R2.132 O=C1CCC2=CC=C(I)C=C12 CS19840 [0,1,0,1,0,0|1,0,0]=3 1395 B12R2.132 O=C1CCC2=CC=C(O)C=C12 CS15371 [0,1,0,1,0,0|1,0,0]=3 1396 B12R2.132 O=C1COC2=C1C=C(Br)C=C2 CS18239 [0,1,0,1,0,0|2,0,0]=4 1397 B12R2.132 O=C1COC2=C1C=C(Cl)C=C2 MC428126 [0,1,0,1,0,0|2,0,0]=4 1398 B12R2.132 O=C1COC2=C1C=C(F)C=C2 MC113784 [0,1,0,1,0,0|2,0,0]=4 1399 B12R2.132 O=C1COC2=C1C=C(I)C=C2 MC100482 [0,1,0,1,0,0|2,0,0]=4 1400 B12R2.132 O=C1NCC2=CC=C(Br)C=C12 CS14261 [0,1,0,1,0,0|1,0,0]=3 1401 B12R2.132 O=C1NCC2=NC=C(Br)C=C12 CS17280 [0,1,0,1,0,0|2,0,0]=4 1402 B12R2.132 O=C1NOC2=C1C=C(Br)C=C2 CS15251 [0,1,0,1,0,0|2,0,0]=4 1403 B12R2.132 O=C1NOC2=C1C=C(Cl)C=C2 MC427277 [0,1,0,1,0,0|2,0,0]=4 1404 B12R2.132 O=C1NOC2=C1C=C(F)C=C2 CS16834 [0,1,0,1,0,0|2,0,0]=4 1405 B12R2.132 O=C1OCC2=CC=C(Br)C=C12 CS12535 [0,1,0,1,0,0|0,0,0]=2 1406 B12R2.196 CC1=C2CCC(=O)C2=CC=C1 CS14012 [0,1,0,1,0,0|1,0,0]=3 1407 B12R2.196 NC1=C2CCC(=O)C2=CC=C1 MC446724 [0,1,0,1,0,0|1,0,0]=3 1408 B12R2.196 NC1=C2CNC(=O)C2=CC=C1 CS22586 [0,1,0,1,0,0|1,0,0]=3 1409 B12R2.196 NC1=C2COC(=O)C2=CC=C1 CS14004 [0,1,0,1,0,0|0,0,0]=2 1410 B12R2.196 O=C1CCC2=C(Br)C=CC=C12 CS10966 [0,1,0,1,0,0|1,0,0]=3 1411 B12R2.196 O=C1CCC2=C(Cl)C=CC=C12 CS18751 [0,1,0,1,0,0|1,0,0]=3 1412 B12R2.196 O=C1CCC2=C(F)C=CC=C12 MC442503 [0,1,0,1,0,0|1,0,0]=3 1413 B12R2.196 O=C1CCC2=C(O)C=CC=C12 CS19922 [0,1,0,1,0,0|1,0,0]=3 1414 B12R2.196 O=C1COC2=C1C=CC=C2F MC113785 [0,1,0,1,0,0|2,0,0]=4 1415 B12R2.196 O=C1COC2=C1C=CC=C2I MC114833 [0,1,0,1,0,0|2,0,0]=4 1416 B12R2.196 O=C1CSC2=C1C=CC=C2F MC107892 [0,1,0,1,0,0|2,0,0]=4 1417 B12R2.196 O=C1NCC2=C(O)C=CC=C12 CS14659 [0,1,0,1,0,0|1,0,0]=3 1418 B12R2.196 O=C1OCC2=C(Br)C=CC=C12 CS22636 [0,1,0,1,0,0|0,0,0]=2 1419 B12R2.203 O=C1CCC2=CC=CC(Br)=C12 MC106557 [0,1,0,1,0,0|1,0,0]=3 1420 B12R2.203 O=C1CCC2=CC=CC(Cl)=C12 MC429388 [0,1,0,1,0,0|1,0,0]=3 1421 B12R2.203 O=C1CCC2=CC=CC(F)=C12 CS15500 [0,1,0,1,0,0|1,0,0]=3 1422 B12R2.203 O=C1CCC2=CC=CC(I)=C12 MC113777 [0,1,0,1,0,0|1,0,0]=3 1423 B12R2.203 O=C1CCC2=CC=CC(O)=C12 CS12591 [0,1,0,1,0,0|1,0,0]=3 1424 B12R2.203 O=C1COC2=C1C(F)=CC=C2 MC113791 [0,1,0,1,0,0|2,0,0]=4 1425 B12R2.203 O=C1NCC2=CC=CC(Br)=C12 CS14262 [0,1,0,1,0,0|1,0,0]=3 1426 B12R2.203 O=C1NCC2=CC=CC(I)=C12 MC100883 [0,1,0,1,0,0|1,0,0]=3 1427 B8R1.7 CC(=O)C1=CC=CO1 CS18634 [1,0,0,0,1,0|1,0,0]=3 1428 B8R1.7 CC(=O)C1=CC=CS1 CS19387 [1,0,0,0,1,0|1,0,0]=3 1429 B8R1.7 CC(=O)C1=CC=NO1 CS15344 [1,0,0,0,1,0|2,0,0]=4 1430 B8R1.7 CC(=O)C1=CNC=N1 CS20378 [1,0,0,0,1,0|2,0,0]=4 1431 B8R1.7 CC(=O)C1=CSC=C1 CS18739 [1,0,0,0,1,0|1,0,0]=3 1432 B8R1.7 CC(=O)C1=CSC=N1 CS13244 [1,0,0,0,1,0|2,0,0]=4 1433 B8R1.7 CC(=O)C1=NC=CO1 CS20443 [1,0,0,0,1,0|2,0,0]=4 1434 B8R1.7 CC(=O)C1=NC=CS1 CS22755 [1,0,0,0,1,0|2,0,0]=4 1435 B8R1.7 CC(=O)C1=NNC=C1 CS13441 [1,0,0,0,1,0|2,0,0]=4 1436 B8R1.7 CC(=O)C1=NOC=C1 MC116141 [1,0,0,0,1,0|2,0,0]=4 1437 B8R1.7 CC(=O)N1C=CN=C1 MC428372 [1,0,0,0,1,0|2,0,0]=4 1438 B8R1.7 O=C(O)C1=CC=CN1 CS17766 [1,0,0,0,1,0|1,0,0]=3 1439 B8R1.7 O=C(O)C1=CC=CO1 CS16202 [1,0,0,0,1,0|1,0,0]=3 1440 B8R1.7 O=C(O)C1=CC=CS1 MC41710 [1,0,0,0,1,0|1,0,0]=3 1441 B8R1.7 O=C(O)C1=CC=NO1 CS15566 [1,0,0,0,1,0|2,0,0]=4 1442 B8R1.7 O=C(O)C1=CN=CS1 CS15551 [1,0,0,0,1,0|2,0,0]=4 1443 B8R1.7 O=C(O)C1=CNC=C1 CS16294 [1,0,0,0,1,0|1,0,0]=3 1444 B8R1.7 O=C(O)C1=CNC=N1 CS19657 [1,0,0,0,1,0|2,0,0]=4 1445 B8R1.7 O=C(O)C1=CNN=C1 CS19027 [1,0,0,0,1,0|2,0,0]=4 1446 B8R1.7 O=C(O)C1=COC=C1 CS14540 [1,0,0,0,1,0|1,0,0]=3 1447 B8R1.7 O=C(O)C1=COC=N1 MC441322 [1,0,0,0,1,0|2,0,0]=4 1448 B8R1.7 O=C(O)C1=CON=C1 MC428244 [1,0,0,0,1,0|2,0,0]=4 1449 B8R1.7 O=C(O)C1=CSC=C1 CS22727 [1,0,0,0,1,0|1,0,0]=3 1450 B8R1.7 O=C(O)C1=CSC=N1 CS10126 [1,0,0,0,1,0|2,0,0]=4 1451 B8R1.7 O=C(O)C1=CSN=C1 CS22713 [1,0,0,0,1,0|2,0,0]=4 1452 B8R1.7 O=C(O)C1=NC=CN1 CS19852 [1,0,0,0,1,0|2,0,0]=4 1453 B8R1.7 O=C(O)C1=NC=CO1 MC106568 [1,0,0,0,1,0|2,0,0]=4 1454 B8R1.7 O=C(O)C1=NC=CS1 MC425486 [1,0,0,0,1,0|2,0,0]=4 1455 B8R1.7 O=C(O)C1=NNC=C1 CS18779 [1,0,0,0,1,0|2,0,0]=4 1456 B8R1.7 O=C(O)C1=NOC=C1 CS18235 [1,0,0,0,1,0|2,0,0]=4 1457 B8R1.7 O=C(O)C1=NSC=C1 MC113170 [1,0,0,0,1,0|2,0,0]=4 1458 B12R1.27 COC(=O)CCC1=CC=CC=C1 MC433965 [0,0,0,0,0,2|0,0,0]=2 1459 B12R1.27 NCC(=O)OCC1=CC=CC=C1 MC428105 [0,0,0,0,0,2|2,0,0]=4 1460 B12R1.27 NCC(=O)OCc1ccccc1 MC437714 [0,0,0,0,0,2|2,0,0]=4 1461 B12R1.27 NCC(=O)OCc1ccccc1 MC437715 [0,0,0,0,0,2|2,0,0]=4 1462 B12R1.27 NNC(=O)OCC1=CC=CC=C1 CS20449 [0,0,0,0,0,2|2,0,0]=4 1463 B12R1.27 NNC(=O)OCc1ccccc1 MC438484 [0,0,0,0,0,2|2,0,0]=4 1464 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 CS19947 [0,0,0,0,0,2|2,0,0]=4