0 B13R1.547 COC(=O)C1=C(B(O)O)C=CC=C1 CS20976 [0,0,0,0,0,0|3,0,0]=3 1 B13R1.547 COC(=O)C1=C(C(=O)O)C=CC=C1 CS21642 [0,0,0,0,0,0|3,0,0]=3 2 B13R1.547 COC(=O)C1=C(C(=O)O)C=CC=N1 MC427273 [0,0,0,0,0,0|4,0,0]=4 3 B13R1.547 COC(=O)C1=C([N+](=O)[O-])C=NC=C1 CS16671 [0,0,0,0,0,0|3,0,1]=4 4 B12R1.77 C=CC1=C(C(=O)OC)C=CC=N1 MC429151 [1,0,0,0,0,0|2,0,1]=4 5 B12R1.77 COC(=O)C1=C(C#N)C=CC=C1 MC40089 [1,0,0,0,0,0|2,0,0]=3 6 B12R1.77 COC(=O)C1=C(C#N)N=CC=C1 MC33457 [1,0,0,0,0,0|3,0,0]=4 7 B12R1.77 COC(=O)C1=C(C=O)C=CC=C1 CS21630 [1,0,0,0,0,0|2,0,0]=3 8 B12R1.77 COC(=O)C1=C(C=O)N=CC=C1 MC431364 [1,0,0,0,0,0|3,0,0]=4 9 B12R1.77 COC(=O)C1=C(CBr)C=CC=C1 CS18185 [1,0,0,0,0,0|2,0,0]=3 10 B12R1.77 COC(=O)C1=C(OC)C=NC=C1 MC431681 [1,0,0,0,0,0|2,0,0]=3 11 B12R1.77 COC(=O)C1=C(OC)N=CC=C1 CS13707 [1,0,0,0,0,0|2,0,0]=3 12 B12R1.77 COC(=O)C1=CN=CC=C1OC MC425461 [1,0,0,0,0,0|2,0,0]=3 13 B12R1.77 COC(=O)C1=NC=CC=C1C=O MC102694 [1,0,0,0,0,0|3,0,0]=4 14 B12R1.77 COC(=O)C1=NC=CC=C1OC CS22344 [1,0,0,0,0,0|2,0,0]=3 15 B12R1.77 COC1=C(C(=O)CBr)C=CC=C1 CS11020 [1,0,0,0,0,0|3,0,0]=4 16 B12R1.261 CC(=O)C1=C(B(O)O)C=CC=C1 MC425394 [1,0,0,0,0,0|3,0,0]=4 17 B12R1.261 CC(=O)C1=C(C(=O)O)C=CC=C1 MC40221 [1,0,0,0,0,0|2,0,0]=3 18 B12R1.261 CC(=O)C1=C([N+](=O)[O-])C=CC=C1 CS14872 [1,0,0,0,0,0|2,0,1]=4 19 B12R1.261 CC(C)C1=C(B(O)O)C=CC=C1 CS21201 [1,0,0,0,0,0|2,0,1]=4 20 B12R1.261 CC(C)C1=C(C(=O)O)C=CC=C1 MC433703 [1,0,0,0,0,0|1,0,0]=2 21 B12R1.261 CN(C)C1=C(B(O)O)C=CC=C1 MC442892 [1,0,0,0,0,0|1,0,1]=3 22 B12R1.261 CN(C)C1=C([N+](=O)[O-])C=CC=C1 CS11732 [1,0,0,0,0,0|1,0,1]=3 23 B12R1.261 O=C(O)C1=C(B(O)O)C=CC=C1 CS10454 [1,0,0,0,0,0|3,0,0]=4 24 B12R1.261 O=C(O)C1=C(I(=O)=O)C=CC=C1 MC20686 [1,0,0,0,0,0|3,0,0]=4 25 B12R1.261 O=C(O)C1=C([N+](=O)[O-])C=CC=C1 CS21715 [1,0,0,0,0,0|2,0,1]=4 26 B14R1.623 CCOC(=O)C1=C(B(O)O)C=CC=C1 CS21141 [0,1,0,0,0,0|3,0,0]=4 27 B14R1.623 CCOC(=O)C1=C(N(C)C)C=CC=C1 MC40040 [0,1,0,0,0,0|0,0,0]=1 28 B14R1.707 COC(=O)C1=C(B(O)O)C=CC(Cl)=C1 MC102829 [0,1,0,0,0,0|3,0,0]=4 29 B14R1.707 COC(=O)C1=C(N(C)C)N=CC(Br)=C1 MC102764 [0,1,0,0,0,0|1,0,0]=2 30 B14R1.707 COC(=O)C1=C([N+](=O)[O-])C=CC(Br)=C1 CS10279 [0,1,0,0,0,0|2,0,1]=4 31 B14R1.707 COC(=O)C1=C([N+](=O)[O-])C=CC(Cl)=C1 CS22288 [0,1,0,0,0,0|2,0,1]=4 32 B14R1.707 COC(=O)C1=C([N+](=O)[O-])C=CC(F)=C1 MC30331 [0,1,0,0,0,0|2,0,1]=4 33 B14R1.745 COC(=O)C1=C(S(=O)(=O)Cl)C=CC=C1 CS20836 [0,1,0,0,0,0|3,0,0]=4 34 B14R1.746 COC(=O)C1=C(C(=O)OC)C=NC=C1 MC33488 [0,1,0,0,0,0|3,0,0]=4 35 B14R1.746 COC(=O)C1=CC=CN=C1C(=O)OC MC31168 [0,1,0,0,0,0|3,0,0]=4 36 B14R1.1153 COC(=O)C1=C([N+](=O)[O-])C(C)=CC=C1 CS21734 [0,1,0,0,0,0|2,0,1]=4 37 B14R1.1153 COC(=O)C1=C([N+](=O)[O-])C(F)=CC=C1 CS15055 [0,1,0,0,0,0|2,0,1]=4 38 B14R1.1153 COC(=O)C1=C([N+](=O)[O-])C(O)=CC=C1 CS13488 [0,1,0,0,0,0|2,0,1]=4 39 B14R1.1164 COC(=O)C1=C(Br)C=CC=C1C(F)F MC110547 [0,1,0,0,0,0|3,0,0]=4 40 B14R1.1164 COC(=O)C1=C(F)C=CC=C1[N+](=O)[O-] MC30066 [0,1,0,0,0,0|2,0,1]=4 41 B11R1.53 C=CC1=C(C(=O)O)C=CC=C1 CS16516 [2,0,0,0,0,0|1,0,1]=4 42 B11R1.53 CC(=O)C1=C(C#N)C=CC=C1 CS21523 [2,0,0,0,0,0|2,0,0]=4 43 B11R1.53 CC(C)C1=C(C=O)C=CC=C1 MC441019 [2,0,0,0,0,0|1,0,0]=3 44 B11R1.53 CCC1=C(C(=O)O)C=CC=C1 CS15281 [2,0,0,0,0,0|1,0,0]=3 45 B11R1.53 CCC1=C(C(=O)O)C=CC=N1 CS12568 [2,0,0,0,0,0|2,0,0]=4 46 B11R1.53 CCC1=C(C(=O)O)C=CN=C1 CS15310 [2,0,0,0,0,0|2,0,0]=4 47 B11R1.53 COC1=C(C(=O)Cl)C=CC=C1 MC40492 [2,0,0,0,0,0|2,0,0]=4 48 B11R1.53 COC1=C(C(=O)O)C=CC=C1 CS15086 [2,0,0,0,0,0|1,0,0]=3 49 B11R1.53 COC1=C(C(=O)O)C=CC=N1 CS20330 [2,0,0,0,0,0|2,0,0]=4 50 B11R1.53 COC1=C(C(=O)O)C=CN=C1 CS10492 [2,0,0,0,0,0|2,0,0]=4 51 B11R1.53 COC1=C(C(C)=O)C=CC=C1 MC41261 [2,0,0,0,0,0|1,0,0]=3 52 B11R1.53 COC1=C(C(C)=O)C=CN=C1 MC105760 [2,0,0,0,0,0|2,0,0]=4 53 B11R1.53 COC1=C(C(C)=O)C=NC=C1 MC102690 [2,0,0,0,0,0|2,0,0]=4 54 B11R1.53 COC1=C(C(C)N)C=CC=C1 CS15754 [2,0,0,0,0,0|2,0,0]=4 55 B11R1.53 COC1=CC=CN=C1C(=O)O CS22335 [2,0,0,0,0,0|2,0,0]=4 56 B11R1.53 COC1=CC=CN=C1C(C)=O CS16598 [2,0,0,0,0,0|2,0,0]=4 57 B11R1.53 COC1=CC=NC=C1C(=O)O CS13273 [2,0,0,0,0,0|2,0,0]=4 58 B11R1.53 COC1=NC=CC=C1C(C)=O MC102691 [2,0,0,0,0,0|2,0,0]=4 59 B11R1.53 N#CC1=C(C(=O)O)C=CC=C1 MC40261 [2,0,0,0,0,0|2,0,0]=4 60 B11R1.53 O=CC1=C(C(=O)O)C=CC=C1 CS13542 [2,0,0,0,0,0|2,0,0]=4 61 B11R1.222 CCC(=O)C1=C(Cl)C=CC=C1 CS15813 [2,0,0,0,0,0|2,0,0]=4 62 B11R1.222 CCC(=O)C1=C(N)C=CC=C1 MC430440 [2,0,0,0,0,0|1,0,0]=3 63 B11R1.222 CCC(=O)C1=CC=CN=C1N MC429975 [2,0,0,0,0,0|2,0,0]=4 64 B11R1.222 CNC(=O)C1=C(N)C=CC=C1 CS20442 [2,0,0,0,0,0|1,0,0]=3 65 B11R1.222 CNC(=O)C1=C(S)C=CC=C1 MC42220 [2,0,0,0,0,0|2,0,0]=4 66 B11R1.222 COC(=O)C1=C(Br)C=CC=C1 MC20192 [2,0,0,0,0,0|1,0,0]=3 67 B11R1.222 COC(=O)C1=C(Br)C=NC=C1 CS22176 [2,0,0,0,0,0|2,0,0]=4 68 B11R1.222 COC(=O)C1=C(C)C=NC=C1 MC121213 [2,0,0,0,0,0|1,0,0]=3 69 B11R1.222 COC(=O)C1=C(C)N=CC=C1 CS21004 [2,0,0,0,0,0|1,0,0]=3 70 B11R1.222 COC(=O)C1=C(Cl)N=CC=C1 CS20210 [2,0,0,0,0,0|2,0,0]=4 71 B11R1.222 COC(=O)C1=C(F)C=CC=C1 CS11605 [2,0,0,0,0,0|1,0,0]=3 72 B11R1.222 COC(=O)C1=C(F)N=CC=C1 CS14405 [2,0,0,0,0,0|2,0,0]=4 73 B11R1.222 COC(=O)C1=C(I)C=CC=C1 CS15277 [2,0,0,0,0,0|1,0,0]=3 74 B11R1.222 COC(=O)C1=C(I)C=NC=C1 CS22331 [2,0,0,0,0,0|2,0,0]=4 75 B11R1.222 COC(=O)C1=C(N)C=CC=C1 CS13618 [2,0,0,0,0,0|0,0,0]=2 76 B11R1.222 COC(=O)C1=C(O)C=NC=C1 CS11627 [2,0,0,0,0,0|2,0,0]=4 77 B11R1.222 COC(=O)C1=C(S)C=CC=C1 MC40110 [2,0,0,0,0,0|1,0,0]=3 78 B11R1.222 COC(=O)C1=CC=CN=C1N CS18010 [2,0,0,0,0,0|1,0,0]=3 79 B11R1.222 COC(=O)C1=CN=CC=C1C CS11648 [2,0,0,0,0,0|1,0,0]=3 80 B11R1.222 COC(=O)C1=CN=CC=C1Cl CS15530 [2,0,0,0,0,0|2,0,0]=4 81 B11R1.222 COC(=O)C1=CN=CC=C1Cl MC425389 [2,0,0,0,0,0|2,0,0]=4 82 B11R1.222 COC(=O)C1=CN=CC=C1N CS18774 [2,0,0,0,0,0|1,0,0]=3 83 B11R1.222 COC(=O)C1=CN=CN=C1N CS12825 [2,0,0,0,0,0|2,0,0]=4 84 B11R1.222 COC(=O)C1=CN=NC=C1C MC102128 [2,0,0,0,0,0|2,0,0]=4 85 B11R1.222 COC(=O)C1=NC=CC=C1Br CS12168 [2,0,0,0,0,0|2,0,0]=4 86 B11R1.222 COC(=O)C1=NC=CC=C1F CS19566 [2,0,0,0,0,0|2,0,0]=4 87 B11R1.222 COC(=O)C1=NC=CC=C1I MC431997 [2,0,0,0,0,0|2,0,0]=4 88 B11R1.222 COC(=O)C1=NC=CC=C1N CS22111 [2,0,0,0,0,0|1,0,0]=3 89 B11R1.222 COC(=O)C1=NC=CC=C1O CS21936 [2,0,0,0,0,0|2,0,0]=4 90 B11R1.222 COC(=O)C1=NC=CN=C1N CS21912 [2,0,0,0,0,0|2,0,0]=4 91 B13R1.107 COC(=O)C1=C(CBr)C(Cl)=CC=C1 CS17751 [1,1,0,0,0,0|2,0,0]=4 92 B13R1.382 COC(=O)C1=C(CCBr)C=CC=C1 MC425520 [1,1,0,0,0,0|1,0,0]=3 93 B13R1.382 COC(=O)c1ccccc1CCN MC433578 [1,1,0,0,0,0|1,0,0]=3 94 B13R1.464 CCOC(=O)C1=C(C#N)C=CC=C1 CS13482 [1,1,0,0,0,0|2,0,0]=4 95 B13R1.464 CCOC(=O)C1=C(NC)C=CC=C1 CS15043 [1,1,0,0,0,0|0,0,0]=2 96 B13R1.2065 COC(=O)C1=C(CBr)C=C(Br)C=C1 CS17753 [1,1,0,0,0,0|2,0,0]=4 97 B13R1.2065 COC(=O)C1=C(OC)C=C(Br)C=C1 CS13659 [1,1,0,0,0,0|1,0,0]=3 98 B13R1.2065 COC(=O)C1=C(OC)C=C(C)C=C1 CS11124 [1,1,0,0,0,0|1,0,0]=3 99 B13R1.2065 COC(=O)C1=C(OC)C=C(F)C=C1 MC107460 [1,1,0,0,0,0|1,0,0]=3 100 B13R1.2065 COC(=O)C1=C(OC)C=C(N)C=C1 CS21188 [1,1,0,0,0,0|1,0,0]=3 101 B13R1.2065 COC(=O)C1=C(OC)N=C(Br)C=C1 MC443786 [1,1,0,0,0,0|2,0,0]=4 102 B13R1.2065 COC(=O)C1=C(OC)N=C(Cl)C=C1 CS14551 [1,1,0,0,0,0|2,0,0]=4 103 B13R1.2209 CNC1=C(C(=O)OC)C=C(Br)C=C1 CS13350 [1,1,0,0,0,0|0,0,0]=2 104 B13R1.2209 COC(=O)C1=C(C#N)C=CC(Br)=C1 CS16610 [1,1,0,0,0,0|2,0,0]=4 105 B13R1.2209 COC(=O)C1=C(C#N)C=CC(Cl)=C1 CS11657 [1,1,0,0,0,0|2,0,0]=4 106 B13R1.2209 COC(=O)C1=C(C=O)C=CC(Br)=C1 MC432016 [1,1,0,0,0,0|2,0,0]=4 107 B13R1.2209 COC(=O)C1=C(OC)N=CC(Br)=C1 MC427124 [1,1,0,0,0,0|2,0,0]=4 108 B13R1.2209 COC(=O)C1=NC(Br)=CC=C1OC CS16606 [1,1,0,0,0,0|2,0,0]=4 109 B13R1.2357 CCC1=CN=CC(N)=C1C(=O)OC MC106302 [1,1,0,0,0,0|2,0,0]=4 110 B13R1.2357 COC(=O)C1=C(Cl)N=CC=C1OC MC106056 [1,1,0,0,0,0|2,0,0]=4 111 B13R1.2357 COC(=O)C1=C(F)C=CC=C1OC MC433684 [1,1,0,0,0,0|1,0,0]=3 112 B13R1.165 CN(C)C1=C(C(=O)O)C=C(N)C=C1 MC433571 [1,1,0,0,0,0|0,0,0]=2 113 B13R1.349 CC(F)(F)C1=C(C(=O)O)C=CC=C1 MC102232 [1,1,0,0,0,0|2,0,0]=4 114 B15R1.925 COC(=O)C1=C(NC(C)=O)C=CC(Br)=C1 MC427161 [0,1,0,0,0,1|2,0,0]=4 115 B15R1.986 COC(=O)C1=NC=CC=C1C(OC)OC MC102693 [0,2,0,0,0,0|2,0,0]=4 116 B15R1.38521 COC(=O)C1=CC=C(Br)C=C1C(=O)OC CS19384 [0,2,0,0,0,0|2,0,0]=4 117 B15R1.38509 COC(=O)C1=CC=CC(Br)=C1C(=O)OC MC103642 [0,2,0,0,0,0|2,0,0]=4 118 B15R1.38509 COC(=O)C1=CC=CC(N)=C1C(=O)OC MC445103 [0,2,0,0,0,0|2,0,0]=4 119 B13R2.582 COC1=C2C(=O)CCC2=CC=C1 CS15531 [1,0,0,1,0,0|2,0,0]=4 120 B13R2.5252 O=C1CCCCC2=C1C=CC=C2 MC20683 [1,0,0,1,0,0|2,0,0]=4 121 B13R2.5252 O=C1CCCNC2=C1C=CC=C2 CS11086 [1,0,0,1,0,0|1,0,0]=3 122 B13R2.12159 CC1(C)NC(=O)C2=CC=CC=C21 MC101955 [1,0,0,1,0,0|2,0,0]=4 123 B15R2.19309 COC(=O)C1=C2NC(=O)CC2=CC=C1 CS11679 [0,0,0,1,0,1|2,0,0]=4 124 B15R2.61763 CC1(C)C(=O)OC(=O)C2=CC=CC=C21 CS16617 [0,1,0,1,0,0|1,0,1]=4 125 B15R2.65988 CN1CCNS(=O)(=O)C2=C1C=CC=C2 MC111680 [0,1,0,1,0,0|2,0,0]=4 126 B15R2.19310 COC(=O)C1=C2C(=CC=C1)C=NN2C MC444515 [0,1,0,1,0,0|0,0,1]=3 127 B13R1.91 COC(=O)CC1=C(C#N)C=CC=C1 MC433944 [1,0,0,0,0,1|2,0,0]=4 128 B13R1.543 COC(=O)C1=CC(C(C)=O)=CC=C1 MC40052 [0,0,0,0,1,1|2,0,0]=4 129 B13R1.543 COC(=O)C1=CC(C(C)N)=CC=C1 MC106946 [0,0,0,0,1,1|2,0,0]=4 130 B15R1.3845 CNC(=O)OC1=C(OC(C)C)C=CC=C1 CS13523 [0,0,0,0,0,2|2,0,0]=4