0 B12R1.16 CCOC(=O)C1=CC=C(Br)C=C1 CS11362 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.16 CCOC(=O)C1=CC=C(Cl)C=C1 CS11363 [0,0,0,0,0,0|1,0,0]=1 2 B12R1.16 CCOC(=O)C1=CC=C(Cl)N=N1 CS12305 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.16 CCOC(=O)C1=CC=C(F)C=C1 CS21694 [0,0,0,0,0,0|1,0,0]=1 4 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 CS19762 [0,0,0,0,0,0|0,0,0]=0 5 B12R1.16 CCOC(=O)C1=CC=C(N)N=N1 MC425265 [0,0,0,0,0,0|2,0,0]=2 6 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 CS18640 [0,0,0,0,0,0|1,0,0]=1 7 B12R1.16 CCOC(=O)C1=CN=C(Br)C=C1 CS12492 [0,0,0,0,0,0|2,0,0]=2 8 B12R1.16 CCOC(=O)C1=CN=C(C)N=C1 CS11397 [0,0,0,0,0,0|3,0,0]=3 9 B12R1.16 CCOC(=O)C1=CN=C(Cl)C=C1 CS20898 [0,0,0,0,0,0|2,0,0]=2 10 B12R1.16 CCOC(=O)C1=CN=C(Cl)N=C1 CS12296 [0,0,0,0,0,0|3,0,0]=3 11 B12R1.16 CCOC(=O)C1=CN=C(N)N=C1 CS21311 [0,0,0,0,0,0|2,0,0]=2 12 B12R1.16 CCOC(=O)C1=CN=C(O)C=C1 CS18817 [0,0,0,0,0,0|2,0,0]=2 13 B12R1.16 CCOC(=O)C1=NC=C(Br)C=C1 CS19325 [0,0,0,0,0,0|2,0,0]=2 14 B12R1.16 CCOC(=O)C1=NC=C(Br)C=N1 CS12561 [0,0,0,0,0,0|3,0,0]=3 15 B12R1.16 CCOC(=O)C1=NC=C(Br)N=C1 CS12107 [0,0,0,0,0,0|3,0,0]=3 16 B12R1.16 CCOC(=O)C1=NC=C(C)C=C1 CS14696 [0,0,0,0,0,0|2,0,0]=2 17 B12R1.16 CCOC(=O)C1=NC=C(Cl)N=C1 CS16733 [0,0,0,0,0,0|3,0,0]=3 18 B12R1.16 CCOC(=O)C1=NC=C(N)C=C1 MC430639 [0,0,0,0,0,0|1,0,0]=1 19 B12R1.16 CCOC(=O)C1=NC=C(N)N=C1 MC425285 [0,0,0,0,0,0|2,0,0]=2 20 B12R1.16 N#CCC(=O)C1=CC=C(Cl)C=C1 CS10944 [0,0,0,0,0,0|3,0,1]=4 21 B12R1.16 N#CCC(=O)C1=CC=C(F)C=C1 MC20625 [0,0,0,0,0,0|3,0,1]=4 22 B12R1.16 O=C(CCCl)C1=CC=C(Br)C=C1 MC41277 [0,0,0,0,0,0|3,0,0]=3 23 B12R1.16 O=C(CCCl)C1=CC=C(Cl)C=C1 MC433259 [0,0,0,0,0,0|3,0,0]=3 24 B12R1.16 O=C(CCCl)C1=CC=C(F)C=C1 CS14887 [0,0,0,0,0,0|3,0,0]=3 25 B11R1.1 CCOCC1=CC=C(O)C=C1 CS16541 [1,0,0,0,0,0|1,0,1]=3 26 B11R1.1 CNCCC1=CC=C(N)C=C1 MC40974 [1,0,0,0,0,0|2,0,1]=4 27 B11R1.16 CCCC(=O)C1=CC=CN=C1 MC443690 [1,0,0,0,0,0|2,0,0]=3 28 B11R1.16 CCOC(=O)C1=CC=NC=C1 MC41618 [1,0,0,0,0,0|1,0,0]=2 29 B11R1.16 CCOC(=O)C1=CN=CC=C1 CS19194 [1,0,0,0,0,0|1,0,0]=2 30 B11R1.16 CCOC(=O)C1=NC=CC=C1 CS14035 [1,0,0,0,0,0|1,0,0]=2 31 B11R1.16 N#CCC(=O)C1=CC=CC=C1 CS10995 [1,0,0,0,0,0|2,0,1]=4 32 B11R1.16 O=C(CCCl)C1=CC=CC=C1 MC41279 [1,0,0,0,0,0|2,0,0]=3 33 B11R1.16 O=C(N=C=S)C1=CC=CC=C1 MC41078 [1,0,0,0,0,0|2,0,1]=4 34 B11R1.22 CC1=CC=C(C(=O)CBr)C=N1 MC431197 [1,0,0,0,0,0|3,0,0]=4 35 B11R1.22 CCC(=O)C1=CC=C(Br)C=C1 CS22698 [1,0,0,0,0,0|1,0,0]=2 36 B11R1.22 CCC(=O)C1=CC=C(Cl)C=C1 CS22795 [1,0,0,0,0,0|1,0,0]=2 37 B11R1.22 CCC(=O)C1=CC=C(Cl)N=C1 CS20436 [1,0,0,0,0,0|2,0,0]=3 38 B11R1.22 CCC(=O)C1=CC=C(F)C=C1 CS22846 [1,0,0,0,0,0|1,0,0]=2 39 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 CS15690 [1,0,0,0,0,0|1,0,0]=2 40 B11R1.22 CCC(C)C1=CC=C(Br)C=C1 CS18281 [1,0,0,0,0,0|2,0,1]=4 41 B11R1.22 CNC(=O)C1=CN=C(Cl)C=C1 MC33519 [1,0,0,0,0,0|3,0,0]=4 42 B11R1.22 COC(=O)C1=CC=C(Br)C=C1 CS15303 [1,0,0,0,0,0|1,0,0]=2 43 B11R1.22 COC(=O)C1=CC=C(Br)N=N1 CS15397 [1,0,0,0,0,0|3,0,0]=4 44 B11R1.22 COC(=O)C1=CC=C(C)C=C1 MC40114 [1,0,0,0,0,0|1,0,0]=2 45 B11R1.22 COC(=O)C1=CC=C(Cl)N=N1 CS11663 [1,0,0,0,0,0|3,0,0]=4 46 B11R1.22 COC(=O)C1=CC=C(F)C=C1 CS20841 [1,0,0,0,0,0|1,0,0]=2 47 B11R1.22 COC(=O)C1=CC=C(I)C=C1 CS20853 [1,0,0,0,0,0|1,0,0]=2 48 B11R1.22 COC(=O)C1=CC=C(N)C=C1 CS20990 [1,0,0,0,0,0|0,0,0]=1 49 B11R1.22 COC(=O)C1=CC=C(N)N=N1 MC444521 [1,0,0,0,0,0|2,0,0]=3 50 B11R1.22 COC(=O)C1=CC=C(O)C=C1 CS19446 [1,0,0,0,0,0|1,0,0]=2 51 B11R1.22 COC(=O)C1=CN=C(Br)C=C1 CS14052 [1,0,0,0,0,0|2,0,0]=3 52 B11R1.22 COC(=O)C1=CN=C(Br)N=C1 MC442840 [1,0,0,0,0,0|3,0,0]=4 53 B11R1.22 COC(=O)C1=CN=C(C)C=C1 CS10875 [1,0,0,0,0,0|2,0,0]=3 54 B11R1.22 COC(=O)C1=CN=C(Cl)N=C1 CS11603 [1,0,0,0,0,0|3,0,0]=4 55 B11R1.22 COC(=O)C1=CN=C(F)C=C1 CS13697 [1,0,0,0,0,0|2,0,0]=3 56 B11R1.22 COC(=O)C1=CN=C(N)C=C1 CS14193 [1,0,0,0,0,0|1,0,0]=2 57 B11R1.22 COC(=O)C1=CN=C(N)N=C1 CS12441 [1,0,0,0,0,0|2,0,0]=3 58 B11R1.22 COC(=O)C1=CN=C(O)C=C1 CS19248 [1,0,0,0,0,0|2,0,0]=3 59 B11R1.22 COC(=O)C1=CNC(=O)N=C1 MC443636 [1,0,0,0,0,0|3,0,0]=4 60 B11R1.22 COC(=O)C1=COC(=O)C=C1 CS19181 [1,0,0,0,0,0|2,0,0]=3 61 B11R1.22 COC(=O)C1=NC=C(Br)C=C1 CS14099 [1,0,0,0,0,0|2,0,0]=3 62 B11R1.22 COC(=O)C1=NC=C(Br)C=N1 CS12346 [1,0,0,0,0,0|3,0,0]=4 63 B11R1.22 COC(=O)C1=NC=C(Br)N=C1 CS11655 [1,0,0,0,0,0|3,0,0]=4 64 B11R1.22 COC(=O)C1=NC=C(C)C=C1 CS15553 [1,0,0,0,0,0|2,0,0]=3 65 B11R1.22 COC(=O)C1=NC=C(C)C=N1 MC115976 [1,0,0,0,0,0|3,0,0]=4 66 B11R1.22 COC(=O)C1=NC=C(Cl)N=C1 CS14158 [1,0,0,0,0,0|3,0,0]=4 67 B11R1.22 COC(=O)C1=NC=C(F)C=C1 CS16224 [1,0,0,0,0,0|2,0,0]=3 68 B11R1.22 COC(=O)C1=NC=C(N)C=C1 CS21755 [1,0,0,0,0,0|1,0,0]=2 69 B11R1.22 COC(=O)C1=NC=C(N)C=N1 MC103762 [1,0,0,0,0,0|2,0,0]=3 70 B11R1.22 COC(=O)C1=NC=C(N)C=N1 MC115672 [1,0,0,0,0,0|2,0,0]=3 71 B11R1.22 COC(=O)C1=NC=C(N)N=C1 MC444546 [1,0,0,0,0,0|2,0,0]=3 72 B11R1.22 COC(=O)C1=NC=C(O)C=C1 CS10406 [1,0,0,0,0,0|2,0,0]=3 73 B11R1.22 COC(=O)C1=NC=C(O)N=C1 CS19747 [1,0,0,0,0,0|3,0,0]=4 74 B11R1.22 COC(=O)C1=NNC(=O)C=C1 CS13480 [1,0,0,0,0,0|3,0,0]=4 75 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 CS10839 [1,0,0,0,0,0|2,0,0]=3 76 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 CS20894 [1,0,0,0,0,0|2,0,0]=3 77 B11R1.22 NNC(=O)C1=CC=C(Br)C=C1 MC33165 [1,0,0,0,0,0|3,0,0]=4 78 B11R1.22 NNC(=O)C1=CC=C(Cl)C=C1 MC20179 [1,0,0,0,0,0|3,0,0]=4 79 B11R1.22 NNC(=O)C1=CC=C(F)C=C1 MC41002 [1,0,0,0,0,0|3,0,0]=4 80 B11R1.22 NNC(=O)C1=CC=C(I)C=C1 MC41004 [1,0,0,0,0,0|3,0,0]=4 81 B11R1.22 NNC(=O)C1=CC=C(O)C=C1 MC41003 [1,0,0,0,0,0|3,0,0]=4 82 B11R1.22 O=C(CBr)C1=CC=C(Br)C=C1 CS19445 [1,0,0,0,0,0|2,0,0]=3 83 B11R1.22 O=C(CBr)C1=CC=C(Cl)C=C1 MC433210 [1,0,0,0,0,0|2,0,0]=3 84 B11R1.22 O=C(CBr)C1=CC=C(F)C=C1 CS20678 [1,0,0,0,0,0|2,0,0]=3 85 B11R1.22 O=C(CBr)C1=CC=C(O)C=C1 CS10771 [1,0,0,0,0,0|2,0,0]=3 86 B11R1.22 O=C(CCl)C1=CC=C(Br)C=C1 CS14324 [1,0,0,0,0,0|2,0,0]=3 87 B11R1.22 O=C(CCl)C1=CC=C(F)C=C1 MC41236 [1,0,0,0,0,0|2,0,0]=3 88 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 CS15989 [1,0,0,0,0,0|2,0,1]=4 89 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 MC427408 [1,0,0,0,0,0|2,0,1]=4 90 B11R1.22 O=CC(=O)C1=CC=C(Cl)C=C1 CS20192 [1,0,0,0,0,0|2,0,1]=4 91 B11R1.22 O=CC(=O)C1=CC=C(O)C=C1 CS18120 [1,0,0,0,0,0|2,0,1]=4 92 B13R1.17 CCCCC(=O)C1=CC=C(Cl)C=C1 CS22799 [0,1,0,0,0,0|2,0,0]=3 93 B13R1.17 NCCNC(=O)C1=NC=C(Cl)C=C1 MC34142 [0,1,0,0,0,0|3,0,0]=4 94 B13R1.17 NCCNC(=O)C1=NC=C(Cl)C=C1 MC34143 [0,1,0,0,0,0|3,0,0]=4 95 B13R1.17 O=C(CCCCl)C1=CC=C(F)C=C1 MC21005 [0,1,0,0,0,0|2,0,0]=3 96 B13R1.21 CNC(C)C(=O)C1=CC=C(C)C=C1 MC426128 [0,1,0,0,0,0|3,0,0]=4 97 B13R1.21 CON(C)C(=O)C1=CC=C(Br)C=C1 MC41010 [0,1,0,0,0,0|3,0,0]=4 98 B13R1.21 CON(C)C(=O)C1=CC=C(F)C=C1 MC433804 [0,1,0,0,0,0|3,0,0]=4 99 B13R1.29 CC1=CC=C(S(=O)(=O)OCF)C=C1 MC429325 [0,1,0,0,0,0|3,0,0]=4 100 B13R1.29 CCOS(=O)(=O)C1=CC=C(C)C=C1 MC445525 [0,1,0,0,0,0|2,0,0]=3 101 B13R1.132 CC(C)CC(=O)C1=CC=C(Cl)N=C1 MC112245 [0,1,0,0,0,0|3,0,0]=4 102 B13R1.132 CC(C)OC(=O)C1=CC=C(Cl)N=N1 CS22403 [0,1,0,0,0,0|3,0,0]=4 103 B13R1.132 CC(C)OC(=O)C1=CN=C(N)C=C1 MC431367 [0,1,0,0,0,0|1,0,0]=2 104 B13R1.452 CCOC(=O)C1=CC=C(C#N)C=C1 CS15724 [0,1,0,0,0,0|0,0,1]=2 105 B13R1.452 CCOC(=O)C1=CN=C(C=O)C=C1 CS15060 [0,1,0,0,0,0|2,0,0]=3 106 B13R1.452 CCOC(=O)C1=CN=C(CBr)C=C1 CS13320 [0,1,0,0,0,0|2,0,0]=3 107 B13R1.452 CCOC(=O)C1=CN=C(CO)C=C1 CS16826 [0,1,0,0,0,0|2,0,0]=3 108 B13R1.466 CCOC(=O)C1=CC(=O)N(C)N=C1 MC116438 [0,1,0,0,0,0|3,0,0]=4 109 B13R1.466 CCOC(=O)C1=CC(Br)=C(N)C=C1 CS18437 [0,1,0,0,0,0|0,0,0]=1 110 B13R1.466 CCOC(=O)C1=CC(Cl)=C(F)C=C1 MC40033 [0,1,0,0,0,0|1,0,0]=2 111 B13R1.466 CCOC(=O)C1=CC(F)=C(N)C=C1 CS12761 [0,1,0,0,0,0|0,0,0]=1 112 B13R1.466 CCOC(=O)C1=CC(N)=C(C)C=C1 CS12913 [0,1,0,0,0,0|1,0,0]=2 113 B13R1.466 CCOC(=O)C1=CC(N)=C(F)C=C1 CS21053 [0,1,0,0,0,0|1,0,0]=2 114 B13R1.466 CCOC(=O)C1=CC(N)=C(N)C=C1 MC40037 [0,1,0,0,0,0|0,0,0]=1 115 B13R1.466 CCOC(=O)C1=CC(O)=C(Br)C=C1 MC443174 [0,1,0,0,0,0|1,0,0]=2 116 B13R1.466 CCOC(=O)C1=CC(O)=C(O)C=C1 CS10893 [0,1,0,0,0,0|1,0,0]=2 117 B13R1.466 CCOC(=O)C1=CN=C(Cl)C(O)=C1 MC429676 [0,1,0,0,0,0|2,0,0]=3 118 B13R1.466 CCOC(=O)C1=CN=C(N)C(Br)=C1 MC443379 [0,1,0,0,0,0|1,0,0]=2 119 B13R1.466 CCOC(=O)C1=NC(Cl)=C(Br)C=C1 MC431571 [0,1,0,0,0,0|2,0,0]=3 120 B13R1.466 CCOC(=O)C1=NC=C(C)C(Br)=C1 MC432005 [0,1,0,0,0,0|2,0,0]=3 121 B13R1.466 CCOC(=O)C1=NC=C(C)C(Cl)=C1 MC431758 [0,1,0,0,0,0|2,0,0]=3 122 B13R1.466 CCOC(=O)C1=NC=C(Cl)C(Cl)=N1 MC110051 [0,1,0,0,0,0|3,0,0]=4 123 B13R1.1511 CCOC(=O)C1=C(C)N=C(Cl)C=C1 MC431989 [0,1,0,0,0,0|2,0,0]=3 124 B13R1.1511 CCOC(=O)C1=C(C)N=C(O)C=C1 MC106606 [0,1,0,0,0,0|2,0,0]=3 125 B13R1.1511 CCOC(=O)C1=C(Cl)C=C(Cl)N=N1 MC427468 [0,1,0,0,0,0|3,0,0]=4 126 B13R1.1511 CCOC(=O)C1=C(F)C=C(Br)C=C1 MC433606 [0,1,0,0,0,0|1,0,0]=2 127 B13R1.1511 CCOC(=O)C1=C(F)C=C(C)C=C1 MC433687 [0,1,0,0,0,0|1,0,0]=2 128 B13R1.1511 CCOC(=O)C1=C(F)C=C(F)C=C1 CS21580 [0,1,0,0,0,0|1,0,0]=2 129 B13R1.1511 CCOC(=O)C1=C(N)C=C(F)C=C1 CS11329 [0,1,0,0,0,0|1,0,0]=2 130 B13R1.1511 CCOC(=O)C1=C(O)C=C(O)N=N1 MC427155 [0,1,0,0,0,0|3,0,0]=4 131 B13R1.1511 CCOC(=O)C1=CN=C(Br)N=C1C MC111863 [0,1,0,0,0,0|3,0,0]=4 132 B13R1.1511 CCOC(=O)C1=CN=C(C)N=C1O CS10545 [0,1,0,0,0,0|3,0,0]=4 133 B13R1.1511 CCOC(=O)C1=CN=C(Cl)C=C1Cl CS19050 [0,1,0,0,0,0|2,0,0]=3 134 B13R1.1511 CCOC(=O)C1=CN=C(Cl)C=C1N CS14671 [0,1,0,0,0,0|2,0,0]=3 135 B13R1.1511 CCOC(=O)C1=CN=C(Cl)N=C1C CS13192 [0,1,0,0,0,0|3,0,0]=4 136 B13R1.1511 CCOC(=O)C1=CN=C(Cl)N=C1Cl CS11327 [0,1,0,0,0,0|3,0,0]=4 137 B13R1.1511 CCOC(=O)C1=CN=C(Cl)N=C1N CS13098 [0,1,0,0,0,0|3,0,0]=4 138 B13R1.1511 CCOC(=O)C1=NC=C(Br)C=C1F MC429611 [0,1,0,0,0,0|2,0,0]=3 139 B13R1.1511 CCOC(=O)C1=NC=C(C)C=C1C MC111084 [0,1,0,0,0,0|2,0,0]=3 140 B13R1.1511 CCOC(=O)C1=NC=C(Cl)C=C1N CS16707 [0,1,0,0,0,0|2,0,0]=3 141 B13R1.1511 CCOC(=O)C1=NC=C(F)C=C1F MC430767 [0,1,0,0,0,0|2,0,0]=3 142 B13R2.12 NC1=CC=C(C2=CN=CO2)C=C1 MC429911 [0,0,0,1,0,0|2,0,1]=4 143 B13R2.12 NC1=NC=C(C2=NCCN2)C=C1 MC425909 [0,0,0,1,0,0|3,0,0]=4 144 B13R2.520 O=C(C1=CC=C(O)C=C1)C2CC2 MC30319 [0,0,0,1,0,0|2,0,0]=3 145 B13R2.520 O=C(C1=NC=C(F)C=C1)C2CC2 MC111952 [0,0,0,1,0,0|3,0,0]=4 146 B13R2.5179 CC1=CC=C2C(=O)CCCC2=C1 CS10733 [0,0,0,1,0,0|2,0,0]=3 147 B13R2.5179 NC1=CC=C2C(=O)CCCC2=C1 MC441180 [0,0,0,1,0,0|1,0,0]=2 148 B13R2.5179 NC1=CC=C2C(=O)NCCC2=C1 MC431590 [0,0,0,1,0,0|1,0,0]=2 149 B13R2.5179 O=C1CCCC2=C1C=CC(Cl)=N2 MC430372 [0,0,0,1,0,0|3,0,0]=4 150 B13R2.5179 O=C1CCCC2=CC(Br)=CC=C12 MC10362 [0,0,0,1,0,0|2,0,0]=3 151 B13R2.5179 O=C1CCCC2=CC(Cl)=CC=C12 CS18199 [0,0,0,1,0,0|2,0,0]=3 152 B13R2.5179 O=C1CCCC2=CC(F)=CC=C12 CS15679 [0,0,0,1,0,0|2,0,0]=3 153 B13R2.5179 O=C1CCOC2=CC(Br)=CC=C12 CS10791 [0,0,0,1,0,0|3,0,0]=4 154 B13R2.5179 O=C1CCOC2=CC(Cl)=CC=C12 CS10805 [0,0,0,1,0,0|3,0,0]=4 155 B13R2.5179 O=C1CCOC2=CC(F)=CC=C12 CS13519 [0,0,0,1,0,0|3,0,0]=4 156 B13R2.5179 O=C1CCOC2=CC(O)=CC=C12 CS22849 [0,0,0,1,0,0|3,0,0]=4 157 B13R2.5179 O=C1NCCC2=C1C=CC(Cl)=N2 MC102515 [0,0,0,1,0,0|3,0,0]=4 158 B13R2.5179 O=C1NCCC2=CC(Br)=CC=C12 CS18011 [0,0,0,1,0,0|2,0,0]=3 159 B13R2.5179 O=C1NCCC2=CC(Cl)=CC=C12 CS18170 [0,0,0,1,0,0|2,0,0]=3 160 B13R2.5179 O=C1NCCC2=CC(O)=CC=C12 CS17654 [0,0,0,1,0,0|2,0,0]=3 161 B13R2.5187 CC1=NN(C)C2=CC(N)=CC=C21 MC444072 [0,0,0,1,0,0|3,0,0]=4 162 B13R2.5187 CC1CC(=O)C2=CC=C(F)C=C21 MC446744 [0,0,0,1,0,0|2,0,0]=3 163 B13R2.5187 NC1=CC=C2C(=O)NC(=O)C2=C1 CS20776 [0,0,0,1,0,0|2,0,1]=4 164 B13R2.5187 O=C1NC(O)C2=CC(Br)=CC=C12 MC427428 [0,0,0,1,0,0|3,0,0]=4 165 B13R2.5187 O=C1OC(=O)C2=CC(Br)=CC=C12 CS20571 [0,0,0,1,0,0|2,0,1]=4 166 B13R2.5187 O=C1OC(=O)C2=CC(Cl)=CC=C12 MC20637 [0,0,0,1,0,0|2,0,1]=4 167 B13R2.5187 O=C1OC(=O)C2=CC(F)=CC=C12 MC20072 [0,0,0,1,0,0|2,0,1]=4 168 B11R1.15 CCOC(=O)C1=CC(Br)=NO1 CS17805 [0,0,0,0,1,0|3,0,0]=4 169 B11R1.15 CCOC(=O)C1=CC(C)=CN1 MC41683 [0,0,0,0,1,0|2,0,0]=3 170 B11R1.15 CCOC(=O)C1=CC(C)=NN1 CS16214 [0,0,0,0,1,0|3,0,0]=4 171 B11R1.15 CCOC(=O)C1=CC(C)=NO1 MC41681 [0,0,0,0,1,0|3,0,0]=4 172 B11R1.15 CCOC(=O)C1=CC(N)=CN1 CS22540 [0,0,0,0,1,0|1,0,0]=2 173 B11R1.15 CCOC(=O)C1=CC(N)=NO1 MC107297 [0,0,0,0,1,0|2,0,0]=3 174 B11R1.15 CCOC(=O)C1=CC=C(Br)N1 MC441009 [0,0,0,0,1,0|2,0,0]=3 175 B11R1.15 CCOC(=O)C1=CC=C(Br)S1 CS12128 [0,0,0,0,1,0|2,0,0]=3 176 B11R1.15 CCOC(=O)C1=CC=C(C)N1 CS10437 [0,0,0,0,1,0|2,0,0]=3 177 B11R1.15 CCOC(=O)C1=CC=C(N)N1 CS15649 [0,0,0,0,1,0|1,0,0]=2 178 B11R1.15 CCOC(=O)C1=CN=C(Br)S1 CS19262 [0,0,0,0,1,0|3,0,0]=4 179 B11R1.15 CCOC(=O)C1=CN=C(Cl)S1 CS11339 [0,0,0,0,1,0|3,0,0]=4 180 B11R1.15 CCOC(=O)C1=CN=C(N)N1 CS13818 [0,0,0,0,1,0|2,0,0]=3 181 B11R1.15 CCOC(=O)C1=CN=C(N)S1 CS19535 [0,0,0,0,1,0|2,0,0]=3 182 B11R1.15 CCOC(=O)C1=COC(Br)=N1 CS12176 [0,0,0,0,1,0|3,0,0]=4 183 B11R1.15 CCOC(=O)C1=COC(Cl)=N1 MC427383 [0,0,0,0,1,0|3,0,0]=4 184 B11R1.15 CCOC(=O)C1=COC(I)=N1 CS17606 [0,0,0,0,1,0|3,0,0]=4 185 B11R1.15 CCOC(=O)C1=COC(N)=N1 CS18060 [0,0,0,0,1,0|2,0,0]=3 186 B11R1.15 CCOC(=O)C1=CSC(Br)=C1 CS14895 [0,0,0,0,1,0|2,0,0]=3 187 B11R1.15 CCOC(=O)C1=CSC(Br)=N1 CS11334 [0,0,0,0,1,0|3,0,0]=4 188 B11R1.15 CCOC(=O)C1=CSC(C)=N1 CS20415 [0,0,0,0,1,0|3,0,0]=4 189 B11R1.15 CCOC(=O)C1=CSC(Cl)=N1 CS12667 [0,0,0,0,1,0|3,0,0]=4 190 B11R1.15 CCOC(=O)C1=CSC(F)=N1 MC425793 [0,0,0,0,1,0|3,0,0]=4 191 B11R1.15 CCOC(=O)C1=CSC(N)=N1 CS10112 [0,0,0,0,1,0|2,0,0]=3 192 B11R1.15 CCOC(=O)C1=NC=C(Br)N1 MC115985 [0,0,0,0,1,0|3,0,0]=4 193 B11R1.15 CCOC(=O)C1=NC=C(Br)S1 MC428242 [0,0,0,0,1,0|3,0,0]=4 194 B11R1.15 CCOC(=O)C1=NN(C)C=C1 CS15596 [0,0,0,0,1,0|3,0,0]=4 195 B11R1.15 CCOC(=O)C1=NN=C(N)N1 CS19748 [0,0,0,0,1,0|3,0,0]=4 196 B11R1.15 CCOC(=O)C1=NN=C(N)S1 CS10195 [0,0,0,0,1,0|3,0,0]=4 197 B11R1.15 CCOC(=O)C1=NNC(C)=C1 CS19586 [0,0,0,0,1,0|3,0,0]=4 198 B11R1.15 CCOC(=O)C1=NNC(F)=C1 MC431096 [0,0,0,0,1,0|3,0,0]=4 199 B13R1.19 CCOC(=O)CC1=CC=C(Br)C=C1 CS13678 [0,0,0,0,0,1|1,0,0]=2 200 B13R1.19 CCOC(=O)CC1=CC=C(C)C=C1 MC40045 [0,0,0,0,0,1|1,0,0]=2 201 B13R1.19 CCOC(=O)CC1=CC=C(C)N=C1 MC107448 [0,0,0,0,0,1|2,0,0]=3 202 B13R1.19 CCOC(=O)CC1=CC=C(Cl)C=C1 CS11364 [0,0,0,0,0,1|1,0,0]=2 203 B13R1.19 CCOC(=O)CC1=CC=C(Cl)N=N1 MC104034 [0,0,0,0,0,1|3,0,0]=4 204 B13R1.19 CCOC(=O)CC1=CC=C(F)C=C1 CS12592 [0,0,0,0,0,1|1,0,0]=2 205 B13R1.19 CCOC(=O)CC1=NC=C(Br)C=N1 CS19726 [0,0,0,0,0,1|3,0,0]=4 206 B13R1.19 CCOC(=O)CC1=NC=C(F)C=C1 MC430659 [0,0,0,0,0,1|2,0,0]=3 207 B13R1.19 CCOC(=O)CC1=NC=C(F)C=N1 CS16842 [0,0,0,0,0,1|3,0,0]=4 208 B13R1.19 CCOC(=O)CC1=NC=C(N)C=C1 MC104031 [0,0,0,0,0,1|1,0,0]=2 209 B13R1.19 CCOC(=O)CC1=NC=C(O)C=C1 MC101950 [0,0,0,0,0,1|2,0,0]=3 210 B10R1.1 CCCC1=CC=C(Br)C=C1 CS10896 [2,0,0,0,0,0|1,0,1]=4 211 B10R1.1 CCOC1=CC=C(Br)C=C1 MC446797 [2,0,0,0,0,0|1,0,0]=3 212 B10R1.1 CCOC1=CC=C(I)C=C1 CS22907 [2,0,0,0,0,0|1,0,0]=3 213 B10R1.1 CCOC1=CC=C(N)C=C1 CS11879 [2,0,0,0,0,0|0,0,0]=2 214 B10R1.1 CCOC1=CC=C(N)N=N1 CS10700 [2,0,0,0,0,0|2,0,0]=4 215 B10R1.1 CCOC1=CN=C(N)C=C1 CS15063 [2,0,0,0,0,0|1,0,0]=3 216 B10R1.1 CCOC1=NC=C(Br)C=C1 CS22026 [2,0,0,0,0,0|2,0,0]=4 217 B10R1.1 CCOC1=NC=C(N)C=C1 CS14713 [2,0,0,0,0,0|1,0,0]=3 218 B10R1.1 NC1=CC=C(CCO)C=C1 CS13450 [2,0,0,0,0,0|1,0,1]=4 219 B10R1.1 NCCC1=CC=C(N)C=C1 MC33045 [2,0,0,0,0,0|1,0,1]=4 220 B10R1.17 ClC\C=C\C1=CC=CC=C1 MC41818 [2,0,0,0,0,0|2,0,0]=4 221 B10R1.15 C=C(CBr)C1=CC=CC=C1 CS20091 [2,0,0,0,0,0|2,0,0]=4 222 B10R1.15 CCC(C)C1=CC=CC=C1 CS11947 [2,0,0,0,0,0|1,0,1]=4 223 B10R1.15 CCC(C)C1=CC=CC=C1 MC433489 [2,0,0,0,0,0|1,0,1]=4 224 B10R1.15 CCC(N)C1=CC=CC=C1 MC20337 [2,0,0,0,0,0|1,0,1]=4 225 B10R1.15 COC(=N)C1=NC=CC=C1 MC106728 [2,0,0,0,0,0|2,0,0]=4 226 B10R1.15 COC(=O)C1=CC=CC=C1 MC40065 [2,0,0,0,0,0|0,0,0]=2 227 B10R1.15 COC(=O)C1=CC=CN=N1 MC444561 [2,0,0,0,0,0|2,0,0]=4 228 B10R1.15 COC(=O)C1=CC=NC=C1 CS18945 [2,0,0,0,0,0|1,0,0]=3 229 B10R1.15 COC(=O)C1=CN=CC=C1 CS19425 [2,0,0,0,0,0|1,0,0]=3 230 B10R1.15 COC(=O)C1=CN=CN=C1 MC444563 [2,0,0,0,0,0|2,0,0]=4 231 B10R1.15 COC(=O)C1=CN=NC=C1 CS13474 [2,0,0,0,0,0|2,0,0]=4 232 B10R1.15 COC(=O)C1=NC=CC=C1 CS19684 [2,0,0,0,0,0|1,0,0]=3 233 B10R1.15 COC(=O)C1=NC=CC=N1 CS19792 [2,0,0,0,0,0|2,0,0]=4 234 B10R1.15 COC(=O)C1=NC=NC=C1 MC444562 [2,0,0,0,0,0|2,0,0]=4 235 B10R1.15 NCC(=O)C1=CC=CC=C1 CS10874 [2,0,0,0,0,0|1,0,0]=3 236 B10R1.15 NCC(=O)C1=NC=CC=C1 MC33498 [2,0,0,0,0,0|2,0,0]=4 237 B10R1.15 NNC(=O)C1=CC=CC=C1 CS10971 [2,0,0,0,0,0|2,0,0]=4 238 B10R1.15 O=C(CBr)C1=CC=CC=C1 CS19274 [2,0,0,0,0,0|1,0,0]=3 239 B10R1.15 O=C(CBr)C1=CC=CN=C1 MC42216 [2,0,0,0,0,0|2,0,0]=4 240 B10R1.15 O=C(CBr)C1=CC=NC=C1 CS20175 [2,0,0,0,0,0|2,0,0]=4 241 B10R1.15 O=C(CCl)C1=CC=CC=C1 MC20159 [2,0,0,0,0,0|1,0,0]=3 242 B10R1.15 O=C(CI)C1=CC=CC=C1 MC433244 [2,0,0,0,0,0|1,0,0]=3 243 B10R1.13 C=C(C)C1=CC=C(O)C=C1 MC441020 [2,0,0,0,0,0|2,0,0]=4 244 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 CS19447 [2,0,0,0,0,0|1,0,0]=3 245 B10R1.13 CC(=O)C1=CC=C(Br)N=C1 CS17999 [2,0,0,0,0,0|2,0,0]=4 246 B10R1.13 CC(=O)C1=CC=C(C)C=C1 CS13558 [2,0,0,0,0,0|1,0,0]=3 247 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 CS20014 [2,0,0,0,0,0|1,0,0]=3 248 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 CS19687 [2,0,0,0,0,0|2,0,0]=4 249 B10R1.13 CC(=O)C1=CC=C(F)C=C1 CS14299 [2,0,0,0,0,0|1,0,0]=3 250 B10R1.13 CC(=O)C1=CC=C(F)N=C1 CS16982 [2,0,0,0,0,0|2,0,0]=4 251 B10R1.13 CC(=O)C1=CC=C(N)C=C1 MC20162 [2,0,0,0,0,0|0,0,0]=2 252 B10R1.13 CC(=O)C1=CC=C(O)C=C1 CS22884 [2,0,0,0,0,0|1,0,0]=3 253 B10R1.13 CC(=O)C1=CC=C(O)N=C1 CS12692 [2,0,0,0,0,0|2,0,0]=4 254 B10R1.13 CC(=O)C1=CN=C(C)C=C1 MC428167 [2,0,0,0,0,0|2,0,0]=4 255 B10R1.13 CC(=O)C1=CN=C(N)N=C1 CS17494 [2,0,0,0,0,0|2,0,0]=4 256 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 CS16977 [2,0,0,0,0,0|2,0,0]=4 257 B10R1.13 CC(=O)C1=NC=C(C)C=C1 MC443649 [2,0,0,0,0,0|2,0,0]=4 258 B10R1.13 CC(=O)C1=NC=C(Cl)C=C1 CS16979 [2,0,0,0,0,0|2,0,0]=4 259 B10R1.13 CC(=O)C1=NC=C(F)C=C1 MC106404 [2,0,0,0,0,0|2,0,0]=4 260 B10R1.13 CC(=O)C1=NC=C(N)C=C1 MC442802 [2,0,0,0,0,0|1,0,0]=3 261 B10R1.13 CC(=O)c1ccc(I)cc1 MC433245 [2,0,0,0,0,0|1,0,0]=3 262 B10R1.13 CC(C)C1=CC=C(N)C=C1 CS22915 [2,0,0,0,0,0|1,0,1]=4 263 B10R1.13 CC(N)C1=CC=C(N)C=C1 CS22422 [2,0,0,0,0,0|1,0,1]=4 264 B10R1.13 CC(O)C1=CC=C(N)C=C1 MC40728 [2,0,0,0,0,0|0,0,2]=4 265 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 MC40494 [2,0,0,0,0,0|2,0,0]=4 266 B10R1.13 CC1=CC=C(C(=O)O)C=C1 MC40304 [2,0,0,0,0,0|1,0,0]=3 267 B10R1.13 CC1=CC=C(C(N)=O)C=C1 CS11895 [2,0,0,0,0,0|2,0,0]=4 268 B10R1.13 CC1=CN=C(C(=O)O)C=C1 CS10458 [2,0,0,0,0,0|2,0,0]=4 269 B10R1.13 CC1=CN=C(C(=O)O)C=C1 CS17310 [2,0,0,0,0,0|2,0,0]=4 270 B10R1.13 CC1=NC=C(C(=O)O)C=C1 CS20324 [2,0,0,0,0,0|2,0,0]=4 271 B10R1.13 N=C(N)C1=CC=C(N)C=C1 CS21974 [2,0,0,0,0,0|2,0,0]=4 272 B10R1.13 NC(=O)C1=CC=C(F)C=C1 CS10426 [2,0,0,0,0,0|2,0,0]=4 273 B10R1.13 NC(=O)C1=CN=C(N)C=C1 MC425266 [2,0,0,0,0,0|2,0,0]=4 274 B10R1.13 NC(=O)C1=NC=C(N)C=C1 CS10223 [2,0,0,0,0,0|2,0,0]=4 275 B10R1.13 NC1=CC=C(B(O)O)C=C1 CS19513 [2,0,0,0,0,0|1,0,1]=4 276 B10R1.13 NC1=CC=C(B(O)O)C=C1 MC442888 [2,0,0,0,0,0|1,0,1]=4 277 B10R1.13 NC1=CC=C(C(=O)O)C=C1 MC40224 [2,0,0,0,0,0|0,0,0]=2 278 B10R1.13 NC1=CC=C(C(=O)O)N=N1 MC444236 [2,0,0,0,0,0|2,0,0]=4 279 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 CS22580 [2,0,0,0,0,0|0,0,1]=3 280 B10R1.13 NC1=CC=C([N+](=O)[O-])C=C1 MC40934 [2,0,0,0,0,0|1,0,1]=4 281 B10R1.13 NC1=CN=C(C(=O)O)C=C1 CS19367 [2,0,0,0,0,0|1,0,0]=3 282 B10R1.13 NC1=CN=C(C(=O)O)C=N1 CS14292 [2,0,0,0,0,0|2,0,0]=4 283 B10R1.13 NC1=CN=C(C(=O)O)N=C1 MC115893 [2,0,0,0,0,0|2,0,0]=4 284 B10R1.13 NC1=NC=C(C(=O)O)C=C1 CS19354 [2,0,0,0,0,0|1,0,0]=3 285 B10R1.13 NC1=NC=C(C(=O)O)C=N1 CS18230 [2,0,0,0,0,0|2,0,0]=4 286 B10R1.13 O=C(Cl)C1=CC=C(Br)C=C1 MC40440 [2,0,0,0,0,0|2,0,0]=4 287 B10R1.13 O=C(Cl)C1=CC=C(F)C=C1 MC40474 [2,0,0,0,0,0|2,0,0]=4 288 B10R1.13 O=C(Cl)C1=CC=C(I)C=C1 MC433701 [2,0,0,0,0,0|2,0,0]=4 289 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 CS20082 [2,0,0,0,0,0|1,0,0]=3 290 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 CS15821 [2,0,0,0,0,0|1,0,0]=3 291 B10R1.13 O=C(O)C1=CC=C(F)C=C1 MC40280 [2,0,0,0,0,0|1,0,0]=3 292 B10R1.13 O=C(O)C1=CC=C(I)C=C1 CS20135 [2,0,0,0,0,0|1,0,0]=3 293 B10R1.13 O=C(O)C1=CC=C(O)C=C1 CS22885 [2,0,0,0,0,0|1,0,0]=3 294 B10R1.13 O=C(O)C1=CN=C(Br)C=C1 CS22092 [2,0,0,0,0,0|2,0,0]=4 295 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 CS22101 [2,0,0,0,0,0|2,0,0]=4 296 B10R1.13 O=C(O)C1=CN=C(F)C=C1 CS18891 [2,0,0,0,0,0|2,0,0]=4 297 B10R1.13 O=C(O)C1=CN=C(O)C=C1 CS19189 [2,0,0,0,0,0|2,0,0]=4 298 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 CS22033 [2,0,0,0,0,0|2,0,0]=4 299 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 CS19376 [2,0,0,0,0,0|2,0,0]=4 300 B10R1.13 O=C(O)C1=NC=C(F)C=C1 CS10387 [2,0,0,0,0,0|2,0,0]=4 301 B10R1.13 O=C(O)C1=NC=C(I)C=C1 CS10412 [2,0,0,0,0,0|2,0,0]=4 302 B10R1.13 O=C(O)C1=NC=C(O)C=C1 CS22997 [2,0,0,0,0,0|2,0,0]=4 303 B10R1.13 O=C([O-])C1=CC=C(Br)C=C1 MC40334 [2,0,0,0,0,0|1,0,1]=4 304 B10R1.13 O=C([O-])C1=CC=C(Cl)C=C1 MC40337 [2,0,0,0,0,0|1,0,1]=4 305 B10R1.13 O=C([O-])C1=CC=C(F)C=C1 MC40351 [2,0,0,0,0,0|1,0,1]=4 306 B12R1.1 COCCOC1=CC=C(N)C=C1 CS13382 [1,1,0,0,0,0|2,0,0]=4 307 B12R1.21 CC(O)\C=C\C1=CC=C(Br)C=C1 MC106116 [1,1,0,0,0,0|2,0,0]=4 308 B12R1.385 CCCCC1=CC=C(N)C(N)=C1 MC445204 [1,1,0,0,0,0|1,0,1]=4 309 B12R1.17 CCOC(=O)C1=CC(=O)NC=N1 MC106697 [1,1,0,0,0,0|2,0,0]=4 310 B12R1.17 CCOC(=O)C1=CC(Br)=CC=C1 MC40031 [1,1,0,0,0,0|0,0,0]=2 311 B12R1.17 CCOC(=O)C1=CC(Br)=NC=C1 MC20736 [1,1,0,0,0,0|1,0,0]=3 312 B12R1.17 CCOC(=O)C1=CC(Cl)=NC=C1 CS14959 [1,1,0,0,0,0|1,0,0]=3 313 B12R1.17 CCOC(=O)C1=CC(I)=CC=C1 CS11354 [1,1,0,0,0,0|0,0,0]=2 314 B12R1.17 CCOC(=O)C1=CC(N)=CC=C1 MC40025 [1,1,0,0,0,0|0,0,0]=2 315 B12R1.17 CCOC(=O)C1=CC(N)=NC=C1 CS17963 [1,1,0,0,0,0|1,0,0]=3 316 B12R1.17 CCOC(=O)C1=CC(O)=CC=C1 CS11352 [1,1,0,0,0,0|0,0,0]=2 317 B12R1.17 CCOC(=O)C1=CN=CC(Br)=C1 CS22041 [1,1,0,0,0,0|1,0,0]=3 318 B12R1.17 CCOC(=O)C1=CN=CC(F)=C1 MC430707 [1,1,0,0,0,0|1,0,0]=3 319 B12R1.17 CCOC(=O)C1=NC(=O)NC=C1 MC441257 [1,1,0,0,0,0|2,0,0]=4 320 B12R1.17 CCOC(=O)C1=NC(Br)=CC=C1 CS13935 [1,1,0,0,0,0|1,0,0]=3 321 B12R1.17 CCOC(=O)C1=NC(Br)=NC=C1 MC442162 [1,1,0,0,0,0|2,0,0]=4 322 B12R1.17 CCOC(=O)C1=NC(Cl)=CC=C1 CS15548 [1,1,0,0,0,0|1,0,0]=3 323 B12R1.17 CCOC(=O)C1=NC(Cl)=NC=C1 MC441258 [1,1,0,0,0,0|2,0,0]=4 324 B12R1.17 CCOC(=O)C1=NC(N)=CC=C1 CS10611 [1,1,0,0,0,0|1,0,0]=3 325 B12R1.17 CCOC(=O)C1=NC(N)=NC=C1 MC441256 [1,1,0,0,0,0|2,0,0]=4 326 B12R1.17 CCOC(=O)C1=NC=CC(N)=N1 CS12503 [1,1,0,0,0,0|2,0,0]=4 327 B12R1.17 CCOC(=O)C1=NC=NC(Cl)=C1 MC442159 [1,1,0,0,0,0|2,0,0]=4 328 B12R1.30 CCCOC(=O)C1=CC=CC=C1 CS11887 [1,1,0,0,0,0|0,0,0]=2 329 B12R1.30 O=C(C#CCO)C1=CC=CC=C1 MC111021 [1,1,0,0,0,0|1,0,1]=4 330 B12R1.30 O=C(NCCO)C1=CN=CC=C1 CS11709 [1,1,0,0,0,0|2,0,0]=4 331 B12R1.30 O=C(OCCCl)C1=CC=CC=C1 MC40015 [1,1,0,0,0,0|0,0,0]=2 332 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 MC20896 [1,1,0,0,0,0|2,0,0]=4 333 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CS20784 [1,1,0,0,0,0|1,0,1]=4 334 B12R1.308 CCCC(=O)C1=C(N)C=CC=C1 MC430441 [1,1,0,0,0,0|1,0,0]=3 335 B12R1.308 CCOC(=O)C1=C(Br)C=CC=C1 MC20191 [1,1,0,0,0,0|0,0,0]=2 336 B12R1.308 CCOC(=O)C1=C(Br)C=NC=C1 MC20829 [1,1,0,0,0,0|1,0,0]=3 337 B12R1.308 CCOC(=O)C1=C(Br)N=CC=C1 CS21405 [1,1,0,0,0,0|1,0,0]=3 338 B12R1.308 CCOC(=O)C1=C(C)C=CC=C1 MC40044 [1,1,0,0,0,0|0,0,0]=2 339 B12R1.308 CCOC(=O)C1=C(C)C=CN=N1 MC104552 [1,1,0,0,0,0|2,0,0]=4 340 B12R1.308 CCOC(=O)C1=C(C)N=NC=C1 MC104788 [1,1,0,0,0,0|2,0,0]=4 341 B12R1.308 CCOC(=O)C1=C(Cl)N=CC=C1 CS20897 [1,1,0,0,0,0|1,0,0]=3 342 B12R1.308 CCOC(=O)C1=C(F)C=CC=C1 CS11340 [1,1,0,0,0,0|0,0,0]=2 343 B12R1.308 CCOC(=O)C1=C(N)N=CC=C1 CS13612 [1,1,0,0,0,0|1,0,0]=3 344 B12R1.308 CCOC(=O)C1=C(O)C=NC=C1 MC100279 [1,1,0,0,0,0|1,0,0]=3 345 B12R1.308 CCOC(=O)C1=CC=CC=C1O MC34575 [1,1,0,0,0,0|0,0,0]=2 346 B12R1.308 CCOC(=O)C1=CN=CC=C1Cl CS18275 [1,1,0,0,0,0|1,0,0]=3 347 B12R1.308 CCOC(=O)C1=CN=CN=C1Cl CS18296 [1,1,0,0,0,0|2,0,0]=4 348 B12R1.308 CCOC(=O)C1=CN=CN=C1N MC444489 [1,1,0,0,0,0|2,0,0]=4 349 B12R1.308 CCOC(=O)C1=CN=CN=C1O CS18328 [1,1,0,0,0,0|2,0,0]=4 350 B12R1.308 CCOC(=O)C1=CN=CNC1=O CS17889 [1,1,0,0,0,0|2,0,0]=4 351 B12R1.308 CCOC(=O)C1=CN=NC=C1C MC104021 [1,1,0,0,0,0|2,0,0]=4 352 B12R1.308 CCOC(=O)C1=NC=CC=C1F MC432518 [1,1,0,0,0,0|1,0,0]=3 353 B12R1.308 CCOC(=O)C1=NC=CC=C1N CS22110 [1,1,0,0,0,0|1,0,0]=3 354 B12R1.308 CCOC(=O)C1=NC=CN=C1Cl MC444493 [1,1,0,0,0,0|2,0,0]=4 355 B12R1.308 CCOC(=O)C1=NC=NC=C1Br CS13681 [1,1,0,0,0,0|2,0,0]=4 356 B12R1.308 O=C(CCCl)C1=C(Cl)C=CC=C1 MC429389 [1,1,0,0,0,0|2,0,0]=4 357 B12R1.5 CCC(=O)C1=CC=C(CC)C=C1 MC433261 [1,1,0,0,0,0|1,0,0]=3 358 B12R1.5 CCC1=CC=C(C(=O)CBr)C=C1 MC442572 [1,1,0,0,0,0|2,0,0]=4 359 B12R1.5 COC(=O)C1=CC=C(C#N)C=C1 CS22286 [1,1,0,0,0,0|0,0,1]=3 360 B12R1.5 COC(=O)C1=CC=C(C=O)C=C1 CS21634 [1,1,0,0,0,0|1,0,0]=3 361 B12R1.5 COC(=O)C1=CC=C(CBr)C=C1 CS21991 [1,1,0,0,0,0|1,0,0]=3 362 B12R1.5 COC(=O)C1=CC=C(CN)C=C1 CS18814 [1,1,0,0,0,0|0,0,0]=2 363 B12R1.5 COC(=O)C1=CC=C(NN)N=N1 MC444531 [1,1,0,0,0,0|2,0,0]=4 364 B12R1.5 COC(=O)C1=CC=C(NN)N=N1 MC444532 [1,1,0,0,0,0|2,0,0]=4 365 B12R1.5 COC(=O)C1=CC=C(OC)C=C1 CS18683 [1,1,0,0,0,0|1,0,0]=3 366 B12R1.5 COC(=O)C1=CN=C(C=O)C=C1 CS11664 [1,1,0,0,0,0|2,0,0]=4 367 B12R1.5 COC(=O)C1=CN=C(CO)C=C1 CS14996 [1,1,0,0,0,0|2,0,0]=4 368 B12R1.5 COC(=O)C1=CN=C(OC)C=C1 CS10880 [1,1,0,0,0,0|2,0,0]=4 369 B12R1.5 COC(=O)C1=NC=C(CO)C=C1 MC431233 [1,1,0,0,0,0|2,0,0]=4 370 B12R1.5 COC1=CC=C(C(=O)CCl)C=C1 MC41239 [1,1,0,0,0,0|2,0,0]=4 371 B12R1.5 COC1=CC=C(C(=O)CN)C=C1 CS21179 [1,1,0,0,0,0|2,0,0]=4 372 B12R1.5 N#CC1=CC=C(C(=O)CBr)C=C1 MC426060 [1,1,0,0,0,0|1,0,1]=4 373 B12R1.9 CCS(=O)(=O)C1=CC=C(Br)C=C1 MC429144 [1,1,0,0,0,0|2,0,0]=4 374 B12R1.9 CCS(=O)(=O)C1=CC=C(C)C=C1 MC111842 [1,1,0,0,0,0|2,0,0]=4 375 B12R1.9 CCS(=O)(=O)C1=CC=C(F)C=C1 MC112595 [1,1,0,0,0,0|2,0,0]=4 376 B12R1.9 CNS(=O)(=O)C1=CC=C(N)C=C1 CS19588 [1,1,0,0,0,0|2,0,0]=4 377 B12R1.9 COS(=O)(=O)C1=CC=C(C)C=C1 MC445526 [1,1,0,0,0,0|2,0,0]=4 378 B12R1.20 CC(C)S(=O)C1=CC=C(Br)C=C1 CS16783 [1,1,0,0,0,0|2,0,0]=4 379 B12R1.20 CC1=CC=C(C(=O)C(Cl)Cl)C=C1 MC42255 [1,1,0,0,0,0|2,0,0]=4 380 B12R1.20 O=C(C1=CC=C(F)C=C1)C(O)O MC33140 [1,1,0,0,0,0|2,0,0]=4 381 B12R1.367 CC1=C(Br)C=CC(C(=O)CBr)=C1 MC113998 [1,1,0,0,0,0|2,0,0]=4 382 B12R1.367 CCC(=O)C1=CC(F)=C(F)C=C1 MC41281 [1,1,0,0,0,0|1,0,0]=3 383 B12R1.367 COC(=O)C1=CC(Br)=C(C)C=C1 CS21663 [1,1,0,0,0,0|1,0,0]=3 384 B12R1.367 COC(=O)C1=CC(Br)=C(I)C=C1 CS22151 [1,1,0,0,0,0|1,0,0]=3 385 B12R1.367 COC(=O)C1=CC(Br)=C(N)C=C1 CS13492 [1,1,0,0,0,0|0,0,0]=2 386 B12R1.367 COC(=O)C1=CC(Br)=C(O)C=C1 CS13829 [1,1,0,0,0,0|1,0,0]=3 387 B12R1.367 COC(=O)C1=CC(C)=C(Br)C=C1 CS13733 [1,1,0,0,0,0|1,0,0]=3 388 B12R1.367 COC(=O)C1=CC(C)=C(Cl)C=C1 CS11642 [1,1,0,0,0,0|1,0,0]=3 389 B12R1.367 COC(=O)C1=CC(C)=C(F)C=C1 CS13467 [1,1,0,0,0,0|1,0,0]=3 390 B12R1.367 COC(=O)C1=CC(C)=C(I)C=C1 MC40109 [1,1,0,0,0,0|1,0,0]=3 391 B12R1.367 COC(=O)C1=CC(C)=C(N)C=C1 CS13862 [1,1,0,0,0,0|0,0,0]=2 392 B12R1.367 COC(=O)C1=CC(Cl)=C(F)C=C1 CS14199 [1,1,0,0,0,0|1,0,0]=3 393 B12R1.367 COC(=O)C1=CC(Cl)=C(O)C=C1 MC40083 [1,1,0,0,0,0|1,0,0]=3 394 B12R1.367 COC(=O)C1=CC(F)=C(Br)C=C1 MC30260 [1,1,0,0,0,0|1,0,0]=3 395 B12R1.367 COC(=O)C1=CC(F)=C(C)C=C1 CS14385 [1,1,0,0,0,0|1,0,0]=3 396 B12R1.367 COC(=O)C1=CC(F)=C(Cl)C=C1 CS14421 [1,1,0,0,0,0|1,0,0]=3 397 B12R1.367 COC(=O)C1=CC(F)=C(F)C=C1 MC40097 [1,1,0,0,0,0|1,0,0]=3 398 B12R1.367 COC(=O)C1=CC(F)=C(F)N=C1 MC430145 [1,1,0,0,0,0|2,0,0]=4 399 B12R1.367 COC(=O)C1=CC(F)=C(N)C=C1 CS14018 [1,1,0,0,0,0|0,0,0]=2 400 B12R1.367 COC(=O)C1=CC(I)=C(C)C=C1 CS19409 [1,1,0,0,0,0|1,0,0]=3 401 B12R1.367 COC(=O)C1=CC(I)=C(N)C=C1 CS18837 [1,1,0,0,0,0|0,0,0]=2 402 B12R1.367 COC(=O)C1=CC(I)=C(O)C=C1 CS11645 [1,1,0,0,0,0|1,0,0]=3 403 B12R1.367 COC(=O)C1=CC(N)=C(Br)C=C1 CS11615 [1,1,0,0,0,0|1,0,0]=3 404 B12R1.367 COC(=O)C1=CC(N)=C(C)C=C1 CS10899 [1,1,0,0,0,0|1,0,0]=3 405 B12R1.367 COC(=O)C1=CC(N)=C(F)C=C1 CS11616 [1,1,0,0,0,0|1,0,0]=3 406 B12R1.367 COC(=O)C1=CC(N)=C(I)C=C1 CS11618 [1,1,0,0,0,0|1,0,0]=3 407 B12R1.367 COC(=O)C1=CC(N)=C(N)C=C1 CS20450 [1,1,0,0,0,0|0,0,0]=2 408 B12R1.367 COC(=O)C1=CC(N)=C(O)C=C1 CS11617 [1,1,0,0,0,0|1,0,0]=3 409 B12R1.367 COC(=O)C1=CC(O)=C(Br)C=C1 CS11639 [1,1,0,0,0,0|1,0,0]=3 410 B12R1.367 COC(=O)C1=CC(O)=C(Cl)C=C1 CS15706 [1,1,0,0,0,0|1,0,0]=3 411 B12R1.367 COC(=O)C1=CC(O)=C(I)C=C1 CS11687 [1,1,0,0,0,0|1,0,0]=3 412 B12R1.367 COC(=O)C1=CC(O)=C(N)C=C1 CS21024 [1,1,0,0,0,0|0,0,0]=2 413 B12R1.367 COC(=O)C1=CC(O)=C(O)C=C1 CS20955 [1,1,0,0,0,0|1,0,0]=3 414 B12R1.367 COC(=O)C1=CC(S)=C(N)C=C1 MC427483 [1,1,0,0,0,0|0,0,0]=2 415 B12R1.367 COC(=O)C1=CN=C(Br)C(C)=C1 MC443715 [1,1,0,0,0,0|2,0,0]=4 416 B12R1.367 COC(=O)C1=CN=C(Br)C(F)=C1 MC430144 [1,1,0,0,0,0|2,0,0]=4 417 B12R1.367 COC(=O)C1=CN=C(Cl)C(Br)=C1 CS15946 [1,1,0,0,0,0|2,0,0]=4 418 B12R1.367 COC(=O)C1=CN=C(Cl)C(C)=C1 CS17661 [1,1,0,0,0,0|2,0,0]=4 419 B12R1.367 COC(=O)C1=CN=C(Cl)C(F)=C1 MC429992 [1,1,0,0,0,0|2,0,0]=4 420 B12R1.367 COC(=O)C1=CN=C(Cl)C(O)=C1 CS17660 [1,1,0,0,0,0|2,0,0]=4 421 B12R1.367 COC(=O)C1=CN=C(N)C(C)=C1 MC431245 [1,1,0,0,0,0|1,0,0]=3 422 B12R1.367 COC(=O)C1=COC(=O)C(Br)=C1 CS11621 [1,1,0,0,0,0|2,0,0]=4 423 B12R1.367 COC(=O)C1=NC(Br)=C(C)C=C1 CS19533 [1,1,0,0,0,0|2,0,0]=4 424 B12R1.367 COC(=O)C1=NC(Br)=C(N)N=C1 MC444545 [1,1,0,0,0,0|2,0,0]=4 425 B12R1.367 COC(=O)C1=NC(C)=C(Br)C=C1 CS16719 [1,1,0,0,0,0|2,0,0]=4 426 B12R1.367 COC(=O)C1=NC(Cl)=C(Br)C=C1 CS16862 [1,1,0,0,0,0|2,0,0]=4 427 B12R1.367 COC(=O)C1=NC(Cl)=C(C)C=C1 CS16029 [1,1,0,0,0,0|2,0,0]=4 428 B12R1.367 COC(=O)C1=NC(Cl)=C(Cl)C=C1 CS16003 [1,1,0,0,0,0|2,0,0]=4 429 B12R1.367 COC(=O)C1=NC(I)=C(N)N=C1 MC104767 [1,1,0,0,0,0|2,0,0]=4 430 B12R1.367 COC(=O)C1=NC(N)=C(Br)C=C1 MC430945 [1,1,0,0,0,0|2,0,0]=4 431 B12R1.367 COC(=O)C1=NC(N)=C(N)C=C1 MC112955 [1,1,0,0,0,0|1,0,0]=3 432 B12R1.367 COC(=O)C1=NC(O)=C(C)C=C1 MC428183 [1,1,0,0,0,0|2,0,0]=4 433 B12R1.367 COC(=O)C1=NC(O)=C(O)C=C1 MC102411 [1,1,0,0,0,0|2,0,0]=4 434 B12R1.367 COC(=O)C1=NC=C(Br)C(C)=C1 CS17574 [1,1,0,0,0,0|2,0,0]=4 435 B12R1.367 COC(=O)C1=NC=C(C)C(Br)=C1 MC432006 [1,1,0,0,0,0|2,0,0]=4 436 B12R1.367 COC(=O)C1=NC=C(C)C(Cl)=C1 CS16028 [1,1,0,0,0,0|2,0,0]=4 437 B12R1.367 COC(=O)C1=NC=C(Cl)C(Cl)=C1 CS17982 [1,1,0,0,0,0|2,0,0]=4 438 B12R1.367 COC(=O)C1=NC=C(N)C(N)=C1 CS16611 [1,1,0,0,0,0|1,0,0]=3 439 B12R1.367 COC(=O)C1=NC=C(O)C(O)=C1 MC102001 [1,1,0,0,0,0|2,0,0]=4 440 B12R1.367 NCC(=O)C1=CC(F)=C(Br)C=C1 MC114806 [1,1,0,0,0,0|2,0,0]=4 441 B12R1.367 O=C(CBr)C1=CC(Cl)=C(Cl)C=C1 MC41226 [1,1,0,0,0,0|2,0,0]=4 442 B12R1.367 O=C(CBr)C1=CC(F)=C(Br)C=C1 MC114804 [1,1,0,0,0,0|2,0,0]=4 443 B12R1.367 O=C(CBr)C1=CC(F)=C(F)C=C1 CS20625 [1,1,0,0,0,0|2,0,0]=4 444 B12R1.367 O=C(CCl)C1=CC(F)=C(Br)C=C1 MC114805 [1,1,0,0,0,0|2,0,0]=4 445 B12R1.367 O=C(CCl)c1ccc(F)c(F)c1 MC433220 [1,1,0,0,0,0|2,0,0]=4 446 B12R1.1703 CCC(=O)C1=C(F)C=C(Br)C=C1 MC442253 [1,1,0,0,0,0|1,0,0]=3 447 B12R1.1703 CNC(=O)C1=C(Br)C=C(F)C=C1 MC41012 [1,1,0,0,0,0|2,0,0]=4 448 B12R1.1703 CNC(=O)C1=C(F)C=C(Br)C=C1 MC433813 [1,1,0,0,0,0|2,0,0]=4 449 B12R1.1703 CNC(=O)C1=C(F)C=C(I)C=C1 MC433812 [1,1,0,0,0,0|2,0,0]=4 450 B12R1.1703 CNC(=O)c1ccc(N)cc1F MC443851 [1,1,0,0,0,0|1,0,0]=3 451 B12R1.1703 COC(=O)C1=C(Br)C=C(Cl)C=C1 CS14759 [1,1,0,0,0,0|1,0,0]=3 452 B12R1.1703 COC(=O)C1=C(Br)C=C(F)C=C1 MC433602 [1,1,0,0,0,0|1,0,0]=3 453 B12R1.1703 COC(=O)C1=C(Br)C=C(I)C=C1 MC103303 [1,1,0,0,0,0|1,0,0]=3 454 B12R1.1703 COC(=O)C1=C(Br)N=C(C)C=C1 MC443365 [1,1,0,0,0,0|2,0,0]=4 455 B12R1.1703 COC(=O)C1=C(C)C=C(Br)C=C1 CS12236 [1,1,0,0,0,0|1,0,0]=3 456 B12R1.1703 COC(=O)C1=C(C)C=C(F)C=C1 CS15071 [1,1,0,0,0,0|1,0,0]=3 457 B12R1.1703 COC(=O)C1=C(C)C=C(N)C=C1 CS22283 [1,1,0,0,0,0|0,0,0]=2 458 B12R1.1703 COC(=O)C1=C(C)C=C(O)C=C1 CS13812 [1,1,0,0,0,0|1,0,0]=3 459 B12R1.1703 COC(=O)C1=C(C)N=C(N)C=C1 CS16936 [1,1,0,0,0,0|1,0,0]=3 460 B12R1.1703 COC(=O)C1=C(Cl)C=C(Br)C=C1 CS16949 [1,1,0,0,0,0|1,0,0]=3 461 B12R1.1703 COC(=O)C1=C(Cl)C=C(F)C=C1 CS19781 [1,1,0,0,0,0|1,0,0]=3 462 B12R1.1703 COC(=O)C1=C(Cl)C=C(N)C=C1 CS14483 [1,1,0,0,0,0|0,0,0]=2 463 B12R1.1703 COC(=O)C1=C(Cl)C=C(O)C=C1 CS19702 [1,1,0,0,0,0|1,0,0]=3 464 B12R1.1703 COC(=O)C1=C(Cl)N=C(Br)C=C1 MC431232 [1,1,0,0,0,0|2,0,0]=4 465 B12R1.1703 COC(=O)C1=C(F)C=C(Br)C=C1 CS13466 [1,1,0,0,0,0|1,0,0]=3 466 B12R1.1703 COC(=O)C1=C(F)C=C(C)C=C1 MC429625 [1,1,0,0,0,0|1,0,0]=3 467 B12R1.1703 COC(=O)C1=C(F)C=C(F)C=C1 CS19771 [1,1,0,0,0,0|1,0,0]=3 468 B12R1.1703 COC(=O)C1=C(F)C=C(I)C=C1 MC433679 [1,1,0,0,0,0|1,0,0]=3 469 B12R1.1703 COC(=O)C1=C(F)C=C(N)C=C1 CS18453 [1,1,0,0,0,0|0,0,0]=2 470 B12R1.1703 COC(=O)C1=C(F)C=C(O)C=C1 CS13813 [1,1,0,0,0,0|1,0,0]=3 471 B12R1.1703 COC(=O)C1=C(F)N=C(Cl)C=C1 CS17031 [1,1,0,0,0,0|2,0,0]=4 472 B12R1.1703 COC(=O)C1=C(N)C=C(Br)C=C1 CS13629 [1,1,0,0,0,0|1,0,0]=3 473 B12R1.1703 COC(=O)C1=C(N)C=C(C)C=C1 CS12400 [1,1,0,0,0,0|1,0,0]=3 474 B12R1.1703 COC(=O)C1=C(N)C=C(Cl)C=C1 MC20246 [1,1,0,0,0,0|1,0,0]=3 475 B12R1.1703 COC(=O)C1=C(N)C=C(F)C=C1 MC429410 [1,1,0,0,0,0|1,0,0]=3 476 B12R1.1703 COC(=O)C1=C(O)C=C(F)C=C1 MC433676 [1,1,0,0,0,0|1,0,0]=3 477 B12R1.1703 COC(=O)C1=C(O)C=C(N)C=C1 CS21027 [1,1,0,0,0,0|0,0,0]=2 478 B12R1.1703 COC(=O)C1=C(O)C=C(O)C=C1 CS11594 [1,1,0,0,0,0|1,0,0]=3 479 B12R1.1703 COC(=O)C1=CC=C(Cl)C=C1O CS11643 [1,1,0,0,0,0|1,0,0]=3 480 B12R1.1703 COC(=O)C1=CN=C(Br)C=C1Cl MC33266 [1,1,0,0,0,0|2,0,0]=4 481 B12R1.1703 COC(=O)C1=CN=C(Cl)C=C1C MC431919 [1,1,0,0,0,0|2,0,0]=4 482 B12R1.1703 COC(=O)C1=CN=C(Cl)C=C1Cl CS15535 [1,1,0,0,0,0|2,0,0]=4 483 B12R1.1703 COC(=O)C1=CN=C(F)C=C1F MC431866 [1,1,0,0,0,0|2,0,0]=4 484 B12R1.1703 COC(=O)C1=CN=C(N)N=C1C MC442170 [1,1,0,0,0,0|2,0,0]=4 485 B12R1.1703 COC(=O)C1=CN=C(N)NC1=O MC442169 [1,1,0,0,0,0|2,0,0]=4 486 B12R1.1703 COC(=O)C1=CN=C(O)C=C1O MC33270 [1,1,0,0,0,0|2,0,0]=4 487 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1C CS17567 [1,1,0,0,0,0|2,0,0]=4 488 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1Cl CS17200 [1,1,0,0,0,0|2,0,0]=4 489 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1O CS15641 [1,1,0,0,0,0|2,0,0]=4 490 B12R1.1703 COC(=O)C1=NC=C(Cl)C=C1Br MC106512 [1,1,0,0,0,0|2,0,0]=4 491 B12R1.1703 COC(=O)C1=NC=C(Cl)C=C1N MC431192 [1,1,0,0,0,0|2,0,0]=4 492 B12R1.1703 COC(=O)C1=NC=C(Cl)C=C1O MC102705 [1,1,0,0,0,0|2,0,0]=4 493 B12R1.1703 COC(=O)C1=NC=C(F)C=C1C MC431705 [1,1,0,0,0,0|2,0,0]=4 494 B12R1.1703 COC(=O)C1=NC=C(F)C=C1Cl MC432344 [1,1,0,0,0,0|2,0,0]=4 495 B12R1.1703 O=C(CBr)C1=C(Cl)C=C(Cl)C=C1 MC41224 [1,1,0,0,0,0|2,0,0]=4 496 B12R1.1703 O=C(CBr)C1=C(F)C=C(Br)C=C1 CS13247 [1,1,0,0,0,0|2,0,0]=4 497 B12R1.1703 O=C(CBr)C1=C(F)C=C(F)C=C1 MC429429 [1,1,0,0,0,0|2,0,0]=4 498 B12R1.1703 O=C(CCl)C1=C(F)C=C(F)C=C1 CS10678 [1,1,0,0,0,0|2,0,0]=4 499 B12R1.1703 O=C(CF)C1=C(O)C=C(Br)C=C1 MC433215 [1,1,0,0,0,0|2,0,0]=4 500 B12R1.312 CCOC(=O)C1=CC(C=O)=CN1 MC111118 [0,1,0,0,1,0|2,0,0]=4 501 B12R1.312 CCOC(=O)C1=CC=C(C=O)N1 CS17740 [0,1,0,0,1,0|2,0,0]=4 502 B12R1.313 CCOC(=O)C1=C(Br)SC(N)=N1 CS19202 [0,1,0,0,1,0|2,0,0]=4 503 B12R1.313 CCOC(=O)C1=C(C)C=C(C)N1 CS10913 [0,1,0,0,1,0|2,0,0]=4 504 B12R1.313 CCOC(=O)C1=C(C)N=C(N)O1 MC100062 [0,1,0,0,1,0|2,0,0]=4 505 B12R1.313 CCOC(=O)C1=C(C)N=C(N)S1 CS19589 [0,1,0,0,1,0|2,0,0]=4 506 B12R1.313 CCOC(=O)C1=C(C)NC(C)=C1 MC441139 [0,1,0,0,1,0|2,0,0]=4 507 B12R1.313 CCOC(=O)C1=C(Cl)SC(N)=N1 MC425576 [0,1,0,0,1,0|2,0,0]=4 508 B12R1.313 CCOC(=O)C1=NC(N)=CN1C MC436184 [0,1,0,0,1,0|2,0,0]=4 509 B12R1.314 CCOC(=O)C1=CC(Br)=C(Br)O1 MC113782 [0,1,0,0,1,0|2,0,0]=4 510 B12R1.1579 CCOC(=O)C1=C(C)C(C)=CN1 CS21948 [0,1,0,0,1,0|2,0,0]=4 511 B12R1.1579 CCOC(=O)C1=CN=C(N)N1C CS17309 [0,1,0,0,1,0|2,0,0]=4 512 B14R1.35 C=C(C(=O)OCC)C1=CC=C(Br)C=C1 CS16512 [0,1,0,0,0,1|1,0,0]=3 513 B14R1.35 CCOC(=O)C(=O)C1=CC=C(Br)C=C1 MC425584 [0,1,0,0,0,1|1,0,0]=3 514 B14R1.35 CCOC(=O)C(=O)C1=CC=C(Cl)C=C1 CS10064 [0,1,0,0,0,1|1,0,0]=3 515 B14R1.35 CCOC(=O)C(Br)C1=CC=C(Br)C=C1 MC40032 [0,1,0,0,0,1|1,0,0]=3 516 B14R1.35 CCOC(=O)C(Br)c1ccc(Cl)cc1 MC40029 [0,1,0,0,0,1|1,0,0]=3 517 B14R1.35 CCOC(=O)C(O)C1=CC=C(F)C=C1 MC425015 [0,1,0,0,0,1|1,0,0]=3 518 B14R1.954 CCOC(=O)CC1=CC=C(C#N)C=C1 MC40036 [0,1,0,0,0,1|0,0,1]=3 519 B14R1.954 CCOC(=O)CC1=CC=C(C=O)C=C1 MC427378 [0,1,0,0,0,1|1,0,0]=3 520 B14R1.954 CCOC(=O)Cc1ccc(CN)cc1 MC121103 [0,1,0,0,0,1|0,0,0]=2 521 B14R1.967 CCOC(=O)CC1=CC(C)=C(F)C=C1 MC432613 [0,1,0,0,0,1|1,0,0]=3 522 B14R1.967 CCOC(=O)CC1=CC(F)=C(Cl)C=C1 MC433939 [0,1,0,0,0,1|1,0,0]=3 523 B14R1.967 CCOC(=O)CC1=CC=C(Br)C(Br)=N1 MC109104 [0,1,0,0,0,1|2,0,0]=4 524 B14R1.967 CCOC(=O)CC1=CN=C(Br)C(Br)=C1 MC109103 [0,1,0,0,0,1|2,0,0]=4 525 B14R1.6823 CCOC(=O)CC1=C(Cl)C=C(N)C=C1 MC111289 [0,1,0,0,0,1|0,0,0]=2 526 B14R1.6823 CCOC(=O)CC1=C(F)C=C(Cl)C=C1 MC433938 [0,1,0,0,0,1|1,0,0]=3 527 B14R1.6823 CCOC(=O)CC1=CC=C(Br)N=C1Br MC109107 [0,1,0,0,0,1|2,0,0]=4 528 B14R1.6823 CCOC(=O)CC1=NC=C(Br)C=C1Br MC109109 [0,1,0,0,0,1|2,0,0]=4 529 B14R1.19 CCCCCC(=O)C1=CC=C(Cl)C=C1 MC445711 [0,2,0,0,0,0|2,0,0]=4 530 B14R1.19 CCCCOC(=O)C1=CC=C(O)C=C1 CS11088 [0,2,0,0,0,0|1,0,0]=3 531 B14R1.125 CC1=CC=C(S(=O)(=O)OCCF)C=C1 CS21563 [0,2,0,0,0,0|2,0,0]=4 532 B14R1.678 NC1=CC=C(C(=O)NCC(=O)O)C=C1 MC443883 [0,2,0,0,0,0|1,0,1]=4 533 B14R1.941 C=CCOC(=O)C1=CC(F)=C(N)C=C1 CS14795 [0,2,0,0,0,0|0,0,1]=3 534 B14R1.941 CCCCC(=O)C1=CC(F)=C(F)C=C1 MC41288 [0,2,0,0,0,0|2,0,0]=4 535 B14R1.2523 CCCCC(=O)C1=C(O)C=C(C)C=C1 MC41287 [0,2,0,0,0,0|2,0,0]=4 536 B14R1.694 CC1=CC=C(S(=O)(=O)OC(C)C)C=C1 CS11172 [0,2,0,0,0,0|2,0,0]=4 537 B14R1.2 CC(C)NC(=O)C1=CC=C(C=O)C=C1 CS22710 [0,2,0,0,0,0|2,0,0]=4 538 B14R1.683 CC(C)(C)OC(=O)C1=CC=C(Br)C=C1 MC40130 [0,2,0,0,0,0|1,0,0]=3 539 B14R1.683 CC(C)(C)OC(=O)C1=CC=C(F)C=C1 MC31165 [0,2,0,0,0,0|1,0,0]=3 540 B14R1.683 CC(C)(C)OC(=O)C1=CC=C(I)C=C1 MC106761 [0,2,0,0,0,0|1,0,0]=3 541 B14R1.683 CC(C)(C)OC(=O)C1=CC=C(N)C=C1 CS11451 [0,2,0,0,0,0|0,0,0]=2 542 B14R1.683 CC(C)(C)OC(=O)C1=CC=C(O)C=C1 MC433696 [0,2,0,0,0,0|1,0,0]=3 543 B14R1.683 CC(C)(C)OC(=O)C1=NC=C(Br)C=C1 MC41637 [0,2,0,0,0,0|2,0,0]=4 544 B14R1.25 CCOC(=O)C1=CN=C(CC#N)C=C1 MC111038 [0,2,0,0,0,0|1,0,1]=4 545 B14R1.610 CCNC(=O)C1=CC=C(B(O)O)C=C1 MC442922 [0,2,0,0,0,0|2,0,0]=4 546 B14R1.610 CCOC(=O)C1=CC=C(B(O)O)C=C1 CS21144 [0,2,0,0,0,0|1,0,0]=3 547 B14R1.610 CCOC(=O)C1=CC=C(N(C)C)C=C1 CS13336 [0,2,0,0,0,0|0,0,0]=2 548 B14R1.628 CCOC(=O)C1=CC(Br)=C(C#N)C=C1 MC433594 [0,2,0,0,0,0|0,0,1]=3 549 B14R1.628 CCOC(=O)C1=CC(Br)=C(CBr)C=C1 MC429674 [0,2,0,0,0,0|1,0,0]=3 550 B14R1.628 CCOC(=O)C1=CN=C(CCl)C(Cl)=C1 MC432410 [0,2,0,0,0,0|2,0,0]=4 551 B14R1.628 CCOC(=O)C1=CN=C(OC)C(O)=C1 MC429675 [0,2,0,0,0,0|2,0,0]=4 552 B14R1.626 CCOC(=O)C1=CC(OC)=C(N)C=C1 MC40026 [0,2,0,0,0,0|0,0,0]=2 553 B14R1.6821 CCOC(=O)C1=CC(Br)=C(Cl)C(Cl)=C1 CS14583 [0,2,0,0,0,0|1,0,0]=3 554 B14R1.6821 CCOC(=O)C1=CC(Br)=C(F)C(F)=C1 MC108419 [0,2,0,0,0,0|1,0,0]=3 555 B14R1.6821 CCOC(=O)C1=CC(Br)=C(N)C(Cl)=C1 MC425608 [0,2,0,0,0,0|0,0,0]=2 556 B14R1.6821 CCOC(=O)C1=CC(Cl)=C(Cl)C(F)=C1 MC109643 [0,2,0,0,0,0|1,0,0]=3 557 B14R1.6821 CCOC(=O)C1=CC(F)=C(C)C(F)=C1 MC110244 [0,2,0,0,0,0|1,0,0]=3 558 B14R1.6821 CCOC(=O)C1=CC(F)=C(F)C(F)=C1 MC40048 [0,2,0,0,0,0|1,0,0]=3 559 B14R1.6821 CCOC(=O)C1=CC(N)=C(C)C(F)=C1 MC20543 [0,2,0,0,0,0|1,0,0]=3 560 B14R1.6821 CCOC(=O)C1=CC(O)=C(O)C(O)=C1 MC427039 [0,2,0,0,0,0|1,0,0]=3 561 B14R1.7264 CCOC(=O)C1=C(Br)C=C(Br)C(F)=C1 MC108866 [0,2,0,0,0,0|1,0,0]=3 562 B14R1.7264 CCOC(=O)C1=C(Br)C=C(Cl)C(F)=C1 MC107933 [0,2,0,0,0,0|1,0,0]=3 563 B14R1.7264 CCOC(=O)C1=C(Cl)C=C(Cl)C(C)=C1 MC109857 [0,2,0,0,0,0|1,0,0]=3 564 B14R1.7264 CCOC(=O)C1=C(F)C=C(F)C(F)=C1 MC433718 [0,2,0,0,0,0|1,0,0]=3 565 B14R1.7264 CCOC(=O)C1=C(N)C=C(Cl)C(Cl)=C1 CS14531 [0,2,0,0,0,0|1,0,0]=3 566 B14R1.7265 CCOC(=O)C1=C(Br)C(Br)=C(F)C=C1 MC108863 [0,2,0,0,0,0|1,0,0]=3 567 B14R1.7265 CCOC(=O)C1=C(Br)C(F)=C(Br)C=C1 MC108865 [0,2,0,0,0,0|1,0,0]=3 568 B14R1.7265 CCOC(=O)C1=C(Br)C(F)=C(F)C=C1 MC108414 [0,2,0,0,0,0|1,0,0]=3 569 B14R1.7265 CCOC(=O)C1=C(Cl)C(F)=C(Cl)C=C1 MC109639 [0,2,0,0,0,0|1,0,0]=3 570 B14R1.7265 CCOC(=O)C1=C(F)C(Br)=C(Br)C=C1 MC108869 [0,2,0,0,0,0|1,0,0]=3 571 B14R1.7265 CCOC(=O)C1=C(F)C(Br)=C(F)C=C1 MC108418 [0,2,0,0,0,0|1,0,0]=3 572 B14R1.7265 CCOC(=O)C1=C(F)C(Cl)=C(Cl)C=C1 MC109642 [0,2,0,0,0,0|1,0,0]=3 573 B14R1.7265 CCOC(=O)C1=C(F)C(F)=C(Br)C=C1 MC108420 [0,2,0,0,0,0|1,0,0]=3 574 B14R1.7265 CCOC(=O)C1=C(F)C(F)=C(F)C=C1 MC429326 [0,2,0,0,0,0|1,0,0]=3 575 B14R1.7265 CCOC(=O)C1=C(O)C(O)=C(Br)C=C1 MC442963 [0,2,0,0,0,0|1,0,0]=3 576 B14R1.7265 CCOC(=O)C1=CN=C(Cl)C(C)=C1Cl CS17060 [0,2,0,0,0,0|2,0,0]=4 577 B14R1.7265 CCOC(=O)C1=CN=C(Cl)C(F)=C1Cl MC432056 [0,2,0,0,0,0|2,0,0]=4 578 B14R1.7265 CCOC(=O)C1=CNC(=O)C(F)=C1O MC107861 [0,2,0,0,0,0|2,0,0]=4 579 B14R1.18811 CCOC(=O)C1=C(Br)C=C(Cl)C=C1F MC107934 [0,2,0,0,0,0|1,0,0]=3 580 B14R1.18811 CCOC(=O)C1=C(Br)C=C(F)C=C1Br MC108868 [0,2,0,0,0,0|1,0,0]=3 581 B14R1.18811 CCOC(=O)C1=C(Br)C=C(F)C=C1Cl MC107935 [0,2,0,0,0,0|1,0,0]=3 582 B14R1.18811 CCOC(=O)C1=C(Br)C=C(F)C=C1F MC108417 [0,2,0,0,0,0|1,0,0]=3 583 B14R1.18811 CCOC(=O)C1=C(C)C=C(C)C=C1C MC40051 [0,2,0,0,0,0|1,0,0]=3 584 B14R1.18811 CCOC(=O)C1=C(C)N=C(Cl)C=C1Cl CS13455 [0,2,0,0,0,0|2,0,0]=4 585 B14R1.18811 CCOC(=O)C1=C(C)N=C(N)N=C1C MC442171 [0,2,0,0,0,0|2,0,0]=4 586 B14R1.18811 CCOC(=O)C1=C(Cl)C=C(Br)C=C1F MC107937 [0,2,0,0,0,0|1,0,0]=3 587 B14R1.18811 CCOC(=O)C1=C(Cl)C=C(Cl)C=C1C MC109858 [0,2,0,0,0,0|1,0,0]=3 588 B14R1.18811 CCOC(=O)C1=C(Cl)C=C(Cl)C=C1F MC109640 [0,2,0,0,0,0|1,0,0]=3 589 B14R1.18811 CCOC(=O)C1=C(Cl)C=C(F)C=C1Cl MC109641 [0,2,0,0,0,0|1,0,0]=3 590 B14R1.18811 CCOC(=O)C1=C(Cl)C=C(F)C=C1Cl MC429649 [0,2,0,0,0,0|1,0,0]=3 591 B14R1.18811 CCOC(=O)C1=C(F)C=C(F)C=C1C MC110243 [0,2,0,0,0,0|1,0,0]=3 592 B14R1.18811 CCOC(=O)C1=C(O)C=C(O)C=C1O MC111361 [0,2,0,0,0,0|1,0,0]=3 593 B14R1.18811 CCOC(=O)C1=C(O)N=C(C)C=C1C MC442675 [0,2,0,0,0,0|2,0,0]=4 594 B14R1.18811 CCOC(=O)C1=C(O)N=C(C)C=C1O CS22214 [0,2,0,0,0,0|2,0,0]=4 595 B12R2.24 BrC1=CC=C2COCCC2=C1 MC441107 [1,0,0,1,0,0|1,0,1]=4 596 B12R2.132 CN1N=CC2=CC=C(N)C=C21 MC444404 [1,0,0,1,0,0|2,0,0]=4 597 B12R2.1081 O=C1CCCC2=C1C=CC=N2 CS18351 [1,0,0,1,0,0|2,0,0]=4 598 B12R2.1081 O=C1CCCC2=C1C=CN=C2 CS16479 [1,0,0,1,0,0|2,0,0]=4 599 B12R2.1081 O=C1CCCC2=C1C=NC=C2 CS18873 [1,0,0,1,0,0|2,0,0]=4 600 B12R2.1081 O=C1CCCC2=C1N=CC=C2 CS15049 [1,0,0,1,0,0|2,0,0]=4 601 B12R2.1081 O=C1CCCC2=CC=CC=C12 CS14809 [1,0,0,1,0,0|1,0,0]=3 602 B12R2.1081 O=C1CCNC2=CC=CC=C12 CS15321 [1,0,0,1,0,0|2,0,0]=4 603 B12R2.1081 O=C1CCNC2=CC=CC=C12 MC441207 [1,0,0,1,0,0|2,0,0]=4 604 B12R2.1081 O=C1CCOC2=CC=CC=C12 CS22800 [1,0,0,1,0,0|2,0,0]=4 605 B12R2.1081 O=C1COCC2=C1C=CC=C2 MC41773 [1,0,0,1,0,0|2,0,0]=4 606 B12R2.1081 O=C1NCCC2=CC=CC=C12 CS17872 [1,0,0,1,0,0|1,0,0]=3 607 B12R2.1081 O=C1NCCC2=CC=NC=C12 MC104301 [1,0,0,1,0,0|2,0,0]=4 608 B12R2.1081 O=C1OCCC2=CC=CC=C12 CS12987 [1,0,0,1,0,0|0,0,0]=2 609 B12R2.2028 O=C1CC(Br)C2=CC=CC=C12 CS22129 [1,0,0,1,0,0|2,0,0]=4 610 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 MC41809 [1,0,0,1,0,0|1,0,1]=4 611 B12R2.2028 O=C1O[IH2](O)C2=C1C=CC=C2 MC20691 [1,0,0,1,0,0|2,0,0]=4 612 B12R2.612 CC1=CC=C2C(=O)CCC2=C1 MC446693 [1,0,0,1,0,0|1,0,0]=3 613 B12R2.612 NC1=CC=C2C(=O)CCC2=C1 MC446737 [1,0,0,1,0,0|0,0,0]=2 614 B12R2.612 NC1=CC=C2C(=O)NCC2=C1 MC100084 [1,0,0,1,0,0|1,0,0]=3 615 B12R2.612 O=C1CCC2=CC(Br)=CC=C12 CS21498 [1,0,0,1,0,0|1,0,0]=3 616 B12R2.612 O=C1CCC2=CC(Cl)=CC=C12 CS22043 [1,0,0,1,0,0|1,0,0]=3 617 B12R2.612 O=C1CCC2=CC(F)=CC=C12 MC10164 [1,0,0,1,0,0|1,0,0]=3 618 B12R2.612 O=C1CCC2=CC(O)=CC=C12 CS11017 [1,0,0,1,0,0|1,0,0]=3 619 B12R2.612 O=C1COC2=C1C=CC(Br)=C2 MC115907 [1,0,0,1,0,0|2,0,0]=4 620 B12R2.612 O=C1COC2=C1C=CC(Cl)=C2 CS15082 [1,0,0,1,0,0|2,0,0]=4 621 B12R2.612 O=C1COC2=C1C=CC(O)=C2 CS20793 [1,0,0,1,0,0|2,0,0]=4 622 B12R2.612 O=C1NCC2=CC(Br)=CC=C12 CS12118 [1,0,0,1,0,0|2,0,0]=4 623 B12R2.612 O=C1NCC2=CC(Cl)=CC=C12 CS10349 [1,0,0,1,0,0|2,0,0]=4 624 B12R2.612 O=C1NCC2=CC(F)=CC=C12 CS15892 [1,0,0,1,0,0|2,0,0]=4 625 B12R2.612 O=C1NCC2=CC(O)=CC=C12 CS15015 [1,0,0,1,0,0|2,0,0]=4 626 B12R2.612 O=C1OCC2=C1C=NC(Cl)=C2 MC104939 [1,0,0,1,0,0|2,0,0]=4 627 B12R2.612 O=C1OCC2=CC(Br)=CC=C12 CS10666 [1,0,0,1,0,0|1,0,0]=3 628 B12R2.612 O=C1OCC2=CC(F)=CC=C12 MC113738 [1,0,0,1,0,0|1,0,0]=3 629 B14R2.926 O=C1CCCN1C2=CC=C(F)C=C2 CS20420 [0,0,0,1,0,1|2,0,0]=4 630 B14R2.949 O=C(NC1=CC=C(S)C=C1)C2CC2 MC110874 [0,0,0,1,0,1|2,0,0]=4 631 B14R2.8719 O=C1CCCCC2=C1C=CC(Br)=C2 MC106565 [0,1,0,1,0,0|2,0,0]=4 632 B14R2.8719 O=C1NCCCC2=C1C=CC(Br)=C2 MC429709 [0,1,0,1,0,0|2,0,0]=4 633 B14R2.10627 O=C(C1=CC=C(Cl)C=C1)C2(F)CC2 MC425293 [0,1,0,1,0,0|2,0,0]=4 634 B14R2.938 NC1=CC=C(S(=O)(=O)C2CC2)C=C1 MC103585 [0,1,0,1,0,0|2,0,0]=4 635 B14R2.8732 CC1(C)NC(=O)C2=CC=C(Br)C=C21 MC105376 [0,1,0,1,0,0|2,0,0]=4 636 B14R2.8732 CC1(C)NC(=O)C2=CC=C(O)C=C21 MC104066 [0,1,0,1,0,0|2,0,0]=4 637 B14R2.29365 CC1CC2=CC(Br)=CC=C2C(=O)N1 CS18562 [0,1,0,1,0,0|2,0,0]=4 638 B14R2.29365 NC1=CC=C2C(=O)NC(=O)CC2=C1 MC33410 [0,1,0,1,0,0|1,0,1]=4 639 B14R2.1801 COC1=CC=C2C(=O)NCCC2=C1 CS18171 [0,1,0,1,0,0|2,0,0]=4 640 B14R2.8038 O=C1CCCC2=C(Br)C(F)=CC=C12 MC429276 [0,1,0,1,0,0|2,0,0]=4 641 B10R1.11 CCOC(=O)C1=CC=CN1 CS10538 [1,0,0,0,1,0|1,0,0]=3 642 B10R1.11 CCOC(=O)C1=CC=CO1 MC10319 [1,0,0,0,1,0|1,0,0]=3 643 B10R1.11 CCOC(=O)C1=CC=CS1 CS14077 [1,0,0,0,1,0|1,0,0]=3 644 B10R1.11 CCOC(=O)C1=CN=CO1 CS17742 [1,0,0,0,1,0|2,0,0]=4 645 B10R1.11 CCOC(=O)C1=CN=CS1 CS11320 [1,0,0,0,1,0|2,0,0]=4 646 B10R1.11 CCOC(=O)C1=CNC=C1 MC115913 [1,0,0,0,1,0|1,0,0]=3 647 B10R1.11 CCOC(=O)C1=CNC=N1 CS18895 [1,0,0,0,1,0|2,0,0]=4 648 B10R1.11 CCOC(=O)C1=CNN=C1 CS10111 [1,0,0,0,1,0|2,0,0]=4 649 B10R1.11 CCOC(=O)C1=COC=N1 CS18179 [1,0,0,0,1,0|2,0,0]=4 650 B10R1.11 CCOC(=O)C1=CSC=C1 CS10526 [1,0,0,0,1,0|1,0,0]=3 651 B10R1.11 CCOC(=O)C1=NC=CN1 CS18245 [1,0,0,0,1,0|2,0,0]=4 652 B10R1.11 CCOC(=O)C1=NNC=C1 CS20723 [1,0,0,0,1,0|2,0,0]=4 653 B10R1.14 CCC(=O)C1=CC=C(C)O1 MC41697 [1,0,0,0,1,0|2,0,0]=4 654 B10R1.14 COC(=O)C1=CC(Br)=CN1 CS16309 [1,0,0,0,1,0|2,0,0]=4 655 B10R1.14 COC(=O)C1=CC(Br)=CO1 CS11686 [1,0,0,0,1,0|2,0,0]=4 656 B10R1.14 COC(=O)C1=CC(Br)=CS1 CS11641 [1,0,0,0,1,0|2,0,0]=4 657 B10R1.14 COC(=O)C1=CC(F)=CN1 CS15647 [1,0,0,0,1,0|2,0,0]=4 658 B10R1.14 COC(=O)C1=CC=C(Br)N1 CS13213 [1,0,0,0,1,0|2,0,0]=4 659 B10R1.14 COC(=O)C1=CC=C(Br)O1 CS19025 [1,0,0,0,1,0|2,0,0]=4 660 B10R1.14 COC(=O)C1=CC=C(Br)S1 CS10309 [1,0,0,0,1,0|2,0,0]=4 661 B10R1.14 COC(=O)C1=CC=C(Cl)O1 MC41693 [1,0,0,0,1,0|2,0,0]=4 662 B10R1.14 COC(=O)C1=CC=C(Cl)S1 CS17193 [1,0,0,0,1,0|2,0,0]=4 663 B10R1.14 COC(=O)C1=CN=C(N)S1 CS17987 [1,0,0,0,1,0|2,0,0]=4 664 B10R1.14 COC(=O)C1=CNC(Br)=C1 MC428134 [1,0,0,0,1,0|2,0,0]=4 665 B10R1.14 COC(=O)C1=CSC(Br)=C1 MC441052 [1,0,0,0,1,0|2,0,0]=4 666 B10R1.14 COC(=O)C1=CSC(N)=N1 CS22767 [1,0,0,0,1,0|2,0,0]=4 667 B10R1.14 COC(=O)C1=NC=C(N)S1 MC104624 [1,0,0,0,1,0|2,0,0]=4 668 B12R1.32 CCNC(=S)NC1=CC=CC=C1 MC427354 [1,0,0,0,0,1|1,1,0]=4 669 B12R1.32 CCOC(=O)CC1=NC=CC=C1 MC41619 [1,0,0,0,0,1|1,0,0]=3 670 B12R1.32 CCOC(=O)CC1=NC=CC=N1 CS12227 [1,0,0,0,0,1|2,0,0]=4 671 B14R1.502 CCOC(=O)C#Cc1ccc(Cl)cc1 MC434037 [0,0,0,0,0,2|1,0,0]=3 672 B14R1.502 CCOC(=O)CCC1=CC=C(Br)C=C1 CS12527 [0,0,0,0,0,2|1,0,0]=3 673 B14R1.502 CCOC(=O)CCC1=CC=C(F)C=C1 MC40041 [0,0,0,0,0,2|1,0,0]=3 674 B14R1.502 CCOC(=O)CCC1=CC=C(N)C=C1 MC442444 [0,0,0,0,0,2|0,0,0]=2 675 B14R1.502 CCOC(=O)CCC1=CC=C(N)N=C1 MC429710 [0,0,0,0,0,2|1,0,0]=3 676 B14R1.502 CCOC(=O)CSC1=CC=C(O)C=C1 MC120175 [0,0,0,0,0,2|1,0,0]=3 677 B14R1.502 CCOC(=O)\C=C\C1=CC=C(Br)N=C1 MC103307 [0,0,0,0,0,2|2,0,0]=4 678 B14R1.502 CCOC(=O)\C=C\C1=CC=C(Cl)C=C1 MC433908 [0,0,0,0,0,2|1,0,0]=3 679 B14R1.502 CCOC(=O)\C=C\C1=CC=C(O)C=C1 MC431718 [0,0,0,0,0,2|1,0,0]=3