0 B13R1.547 COC(=O)C1=C(C(F)F)N=CC=C1 AC-93637 [0,0,0,0,0,0|4,0,0]=4 1 B13R1.547 COC(=O)C1=C([N+](=O)[O-])C=NC=C1 AC-80031 [0,0,0,0,0,0|3,0,1]=4 2 B13R1.547 COC(=O)C1=CC=CC=C1B(O)O AC-20775 [0,0,0,0,0,0|3,0,0]=3 3 B13R1.547 COC(=O)C1=CC=CC=C1C(F)F AC-92392 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.77 C=CC1=C(C(=O)OC)C=CC=N1 AC-87511 [1,0,0,0,0,0|2,0,1]=4 5 B12R1.77 CNC(=O)C1=CC=CC=C1CO AC-72552 [1,0,0,0,0,0|3,0,0]=4 6 B12R1.77 COC(=O)C1=C(C#N)C=NC=C1 AC-80052 [1,0,0,0,0,0|3,0,0]=4 7 B12R1.77 COC(=O)C1=C(C=O)N=CC=C1 AC-93870 [1,0,0,0,0,0|3,0,0]=4 8 B12R1.77 COC(=O)C1=C(CO)N=CC=C1 AC-93165 [1,0,0,0,0,0|3,0,0]=4 9 B12R1.77 COC(=O)C1=CC=CC=C1C#N AC-30863 [1,0,0,0,0,0|2,0,0]=3 10 B12R1.77 COC(=O)C1=CC=CC=C1C=O AC-30943 [1,0,0,0,0,0|2,0,0]=3 11 B12R1.77 COC(=O)C1=CC=CC=C1CBr AC-16768 [1,0,0,0,0,0|2,0,0]=3 12 B12R1.77 COC(=O)C1=CC=CN=C1C#N AC-41221 [1,0,0,0,0,0|3,0,0]=4 13 B12R1.77 COC(=O)C1=NC=CC=C1C=O AC-30956 [1,0,0,0,0,0|3,0,0]=4 14 B12R1.77 COC1=CC=CC=C1C(=O)CBr AC-18476 [1,0,0,0,0,0|3,0,0]=4 15 B12R1.261 CC(=O)C1=C(C(C)C)C=NC=C1 AC-87360 [1,0,0,0,0,0|2,0,0]=3 16 B12R1.261 CC(=O)C1=CC=CC=C1C(F)F AC-90783 [1,0,0,0,0,0|3,0,0]=4 17 B12R1.261 CC(=O)C1=CC=CC=C1[N+](=O)[O-] AC-14552 [1,0,0,0,0,0|2,0,1]=4 18 B12R1.261 CC(=O)C1=NC=CC=C1C(C)C AC-93622 [1,0,0,0,0,0|2,0,0]=3 19 B12R1.261 CC(N)C1=CC=CC=C1C(=O)O AC-93155 [1,0,0,0,0,0|2,0,0]=3 20 B12R1.261 CN(C)C1=C(C(=O)O)C=CC=N1 AC-56075 [1,0,0,0,0,0|1,0,0]=2 21 B12R1.261 CN(C)C1=CC=CC=C1B(O)O AC-72508 [1,0,0,0,0,0|1,0,1]=3 22 B12R1.261 CN(C)C1=CC=CC=C1C(=O)O AC-85402 [1,0,0,0,0,0|0,0,0]=1 23 B12R1.261 CN(C)C1=CC=CC=C1[N+](=O)[O-] AC-80347 [1,0,0,0,0,0|1,0,1]=3 24 B12R1.261 CN(C)C1=NC=CC=C1C(=O)Cl AC-76111 [1,0,0,0,0,0|2,0,0]=3 25 B12R1.261 C[SiH](C)C1=CC=CC=C1[SiH](C)C AC-85381 [1,0,0,0,0,0|2,1,0]=4 26 B12R1.261 O=C(O)C1=CC=CC=C1I(=O)=O AC-61145 [1,0,0,0,0,0|3,0,0]=4 27 B12R1.261 O=C(O)C1=CC=CC=C1[N+](=O)[O-] AC-23853 [1,0,0,0,0,0|2,0,1]=4 28 B14R1.623 CCOC(=O)C1=CC=CC=C1B(O)O AC-28693 [0,1,0,0,0,0|3,0,0]=4 29 B14R1.707 COC(=O)C1=C(N(C)C)N=CC(Br)=C1 AC-87471 [0,1,0,0,0,0|1,0,0]=2 30 B14R1.707 COC(=O)C1=CC(Br)=CC=C1N(C)C AC-81857 [0,1,0,0,0,0|0,0,0]=1 31 B14R1.707 COC(=O)C1=CC(Br)=CC=C1[N+](=O)[O-] AC-25343 [0,1,0,0,0,0|2,0,1]=4 32 B14R1.707 COC(=O)C1=CC(C)=CC=C1B(O)O AC-30183 [0,1,0,0,0,0|3,0,0]=4 33 B14R1.707 COC(=O)C1=NC(Br)=CN=C1N(C)C AC-89914 [0,1,0,0,0,0|2,0,0]=3 34 B14R1.745 COC(=O)C1=CC=CC=C1C(F)(F)F AC-31977 [0,1,0,0,0,0|3,0,0]=4 35 B14R1.746 COC(=O)C1=CC=CN=C1C(=O)OC AC-63759 [0,1,0,0,0,0|3,0,0]=4 36 B14R1.1126 COC(=O)C1=CC=C(Br)C=C1[N+](=O)[O-] AC-83877 [0,1,0,0,0,0|2,0,1]=4 37 B14R1.1153 COC(=O)C1=CC=CC(C)=C1[N+](=O)[O-] AC-31162 [0,1,0,0,0,0|2,0,1]=4 38 B14R2.24350 CC(O)C1=CC=CC2=C1C(=O)NC2 AC-84420 [0,0,0,1,0,0|3,0,0]=4 39 B14R2.29285 CC1(C)CCC(=O)C2=C1C=CC=C2 AC-38332 [0,0,0,1,0,0|2,0,0]=3 40 B12R1.368 COC(=O)C1=C(C(C)C)N=CS1 AC-94195 [0,0,0,0,1,0|3,0,0]=4 41 B14R1.3302 COC(=O)CC1=CC=CC=C1C(=O)O AC-94452 [0,0,0,0,0,1|3,0,0]=4 42 B11R1.53 C#CC1=CC=CC=C1C(=O)O AC-93746 [2,0,0,0,0,0|1,0,1]=4 43 B11R1.53 C#CC1=CC=CC=C1C(C)=O AC-75654 [2,0,0,0,0,0|1,0,1]=4 44 B11R1.53 CC(=O)C1=CC=CC=C1C#N AC-24155 [2,0,0,0,0,0|2,0,0]=4 45 B11R1.53 CCC1=C(C(=O)O)C=CN=C1 AC-80700 [2,0,0,0,0,0|2,0,0]=4 46 B11R1.53 CCC1=CC=CC=C1C(=O)O AC-14207 [2,0,0,0,0,0|1,0,0]=3 47 B11R1.53 CCC1=CC=CN=C1C(C)=O AC-96638 [2,0,0,0,0,0|2,0,0]=4 48 B11R1.53 CN(C)C1=CC=CC=C1C#N AC-73729 [2,0,0,0,0,0|1,0,1]=4 49 B11R1.53 CN(C)C1=CC=CC=C1C=O AC-93804 [2,0,0,0,0,0|0,0,0]=2 50 B11R1.53 CN(C)C1=CC=CC=C1CN AC-42911 [2,0,0,0,0,0|1,0,1]=4 51 B11R1.53 CNC1=CC=CC=C1C(=O)O AC-77200 [2,0,0,0,0,0|0,0,0]=2 52 B11R1.53 CNC1=CC=CC=C1C(N)=O AC-91039 [2,0,0,0,0,0|1,0,0]=3 53 B11R1.53 COC1=C(C(=O)O)C=CN=C1 AC-12657 [2,0,0,0,0,0|2,0,0]=4 54 B11R1.53 COC1=C(C(C)=O)C=NC=C1 AC-84738 [2,0,0,0,0,0|2,0,0]=4 55 B11R1.53 COC1=CC=CC=C1C(=O)O AC-59997 [2,0,0,0,0,0|1,0,0]=3 56 B11R1.53 COC1=CC=CC=C1C(C)Br AC-84112 [2,0,0,0,0,0|2,0,0]=4 57 B11R1.53 COC1=CC=CC=C1C(C)C AC-92947 [2,0,0,0,0,0|1,0,0]=3 58 B11R1.53 COC1=CC=CC=C1[C@H](C)N AC-80289 [2,0,0,0,0,0|2,0,0]=4 59 B11R1.53 COC1=CC=CN=C1C(=O)O AC-80130 [2,0,0,0,0,0|2,0,0]=4 60 B11R1.53 CSC1=C(C(=O)O)C=CC=N1 AC-22244 [2,0,0,0,0,0|2,0,0]=4 61 B11R1.53 N#CC1=CC=CC=C1C(=O)O AC-10849 [2,0,0,0,0,0|2,0,0]=4 62 B11R1.53 NCC1=CC=CC=C1C(=O)O AC-82643 [2,0,0,0,0,0|2,0,0]=4 63 B11R1.53 NNC1=CC=CC=C1C(=O)O AC-49805 [2,0,0,0,0,0|1,0,0]=3 64 B11R1.53 O=CC1=CC=CC=C1C(=O)O AC-37708 [2,0,0,0,0,0|2,0,0]=4 65 B11R1.222 CC1=CC=CC=C1C(=O)C#N AC-59851 [2,0,0,0,0,0|2,0,0]=4 66 B11R1.222 CNC(=O)C1=C(N)N=CC=C1 AC-30629 [2,0,0,0,0,0|2,0,0]=4 67 B11R1.222 CNC(=O)C1=CC=CC=C1Br AC-57611 [2,0,0,0,0,0|2,0,0]=4 68 B11R1.222 CNC(=O)C1=CC=CC=C1N AC-38066 [2,0,0,0,0,0|1,0,0]=3 69 B11R1.222 COC(=O)C1=C(Cl)N=CC=C1 AC-20352 [2,0,0,0,0,0|2,0,0]=4 70 B11R1.222 COC(=O)C1=C(I)N=CC=C1 AC-81336 [2,0,0,0,0,0|2,0,0]=4 71 B11R1.222 COC(=O)C1=C(N)C=CN=C1 AC-30651 [2,0,0,0,0,0|1,0,0]=3 72 B11R1.222 COC(=O)C1=C(N)C=NC=C1 AC-30611 [2,0,0,0,0,0|1,0,0]=3 73 B11R1.222 COC(=O)C1=C(O)C=NC=C1 AC-43382 [2,0,0,0,0,0|2,0,0]=4 74 B11R1.222 COC(=O)C1=CC=CC=C1F AC-30921 [2,0,0,0,0,0|1,0,0]=3 75 B11R1.222 COC(=O)C1=CC=CC=C1N AC-64856 [2,0,0,0,0,0|0,0,0]=2 76 B11R1.222 COC(=O)C1=CC=CN=C1Br AC-25489 [2,0,0,0,0,0|2,0,0]=4 77 B11R1.222 COC(=O)C1=CC=CNC1=O AC-31297 [2,0,0,0,0,0|2,0,0]=4 78 B11R1.222 COC(=O)C1=NC=CC=C1C AC-31173 [2,0,0,0,0,0|1,0,0]=3 79 B11R1.222 COC(=O)C1=NC=CC=C1Cl AC-30837 [2,0,0,0,0,0|2,0,0]=4 80 B11R1.222 COC(=O)C1=NC=CC=C1N AC-30652 [2,0,0,0,0,0|1,0,0]=3 81 B11R1.222 COC(=O)C1=NC=CC=C1O AC-75380 [2,0,0,0,0,0|2,0,0]=4 82 B11R1.222 COC(=O)C1=NC=CN=C1C AC-91937 [2,0,0,0,0,0|2,0,0]=4 83 B11R1.222 COC(=O)C1=NC=CN=C1N AC-10448 [2,0,0,0,0,0|2,0,0]=4 84 B13R1.107 COC(=O)C1=CC=CC(Br)=C1CBr AC-30732 [1,1,0,0,0,0|2,0,0]=4 85 B13R1.107 COC(=O)C1=CC=CC(Br)=C1OC AC-94828 [1,1,0,0,0,0|1,0,0]=3 86 B13R1.107 COC(=O)C1=CC=CC(Cl)=C1CBr AC-77297 [1,1,0,0,0,0|2,0,0]=4 87 B13R1.107 COC(=O)C1=CC=CC(N)=C1OC AC-88753 [1,1,0,0,0,0|1,0,0]=3 88 B13R1.107 COC(=O)C1=CN=CC(Br)=C1OC AC-84558 [1,1,0,0,0,0|2,0,0]=4 89 B13R1.107 COC(=O)C1=NC=CC(Cl)=C1OC AC-90015 [1,1,0,0,0,0|2,0,0]=4 90 B13R1.382 CCOC1=CC=CC=C1C(=O)OC AC-15311 [1,1,0,0,0,0|1,0,0]=3 91 B13R1.382 COC(=O)C1=CC=CC=C1CC#N AC-13252 [1,1,0,0,0,0|1,0,1]=4 92 B13R1.464 CCOC(=O)C1=CC=CC=C1C#N AC-38357 [1,1,0,0,0,0|2,0,0]=4 93 B13R1.464 CCOC(=O)C1=CC=CC=C1C=O AC-29071 [1,1,0,0,0,0|2,0,0]=4 94 B13R1.464 CCOC(=O)C1=CC=CC=C1CBr AC-28931 [1,1,0,0,0,0|2,0,0]=4 95 B13R1.464 CCOC(=O)C1=CN=CC=C1OC AC-92420 [1,1,0,0,0,0|2,0,0]=4 96 B13R1.2065 COC(=O)C1=C(OC)N=C(Cl)C=C1 AC-41220 [1,1,0,0,0,0|2,0,0]=4 97 B13R1.2065 COC(=O)C1=CC=C(Br)C=C1C#N AC-88657 [1,1,0,0,0,0|2,0,0]=4 98 B13R1.2065 COC(=O)C1=CC=C(Br)C=C1CBr AC-30733 [1,1,0,0,0,0|2,0,0]=4 99 B13R1.2065 COC(=O)C1=CC=C(Br)C=C1OC AC-30761 [1,1,0,0,0,0|1,0,0]=3 100 B13R1.2065 COC(=O)C1=CC=C(C)C=C1OC AC-79667 [1,1,0,0,0,0|1,0,0]=3 101 B13R1.2065 COC(=O)C1=CC=C(F)C=C1CBr AC-92442 [1,1,0,0,0,0|2,0,0]=4 102 B13R1.2065 COC(=O)C1=CC=C(F)C=C1OC AC-66978 [1,1,0,0,0,0|1,0,0]=3 103 B13R1.2209 CNC1=CC=C(Br)C=C1C(=O)OC AC-81329 [1,1,0,0,0,0|0,0,0]=2 104 B13R1.2209 COC(=O)C1=CC(Br)=CC=C1CBr AC-79744 [1,1,0,0,0,0|2,0,0]=4 105 B13R1.2209 COC(=O)C1=CC(Br)=CC=C1OC AC-91920 [1,1,0,0,0,0|1,0,0]=3 106 B13R1.2209 COC(=O)C1=CC(F)=CC=C1CBr AC-84704 [1,1,0,0,0,0|2,0,0]=4 107 B13R1.2209 COC(=O)C1=CC(N)=CC=C1OC AC-83592 [1,1,0,0,0,0|1,0,0]=3 108 B13R1.2357 COC(=O)C1=C(C)C=CC=C1CBr AC-83358 [1,1,0,0,0,0|2,0,0]=4 109 B13R1.2357 COC(=O)C1=C(C)C=CC=C1OC AC-57423 [1,1,0,0,0,0|1,0,0]=3 110 B13R1.2357 COC(=O)C1=C(Cl)C=CC=C1CBr AC-82850 [1,1,0,0,0,0|2,0,0]=4 111 B13R1.2357 COC(=O)C1=C(F)C=CC=C1C#N AC-92450 [1,1,0,0,0,0|2,0,0]=4 112 B13R1.2357 COC(=O)C1=C(OC)C=CC=C1O AC-85102 [1,1,0,0,0,0|1,0,0]=3 113 B13R1.295 CN(C)C1=CC=CC(Br)=C1[N+](=O)[O-] AC-95980 [1,1,0,0,0,0|1,0,1]=4 114 B13R1.349 CS(=O)(=O)C1=CC=CC=C1C(=O)O AC-38684 [1,1,0,0,0,0|2,0,0]=4 115 B15R1.810 CCOC(=O)C1=CC=CC=C1OC(C)=O AC-86714 [0,1,0,0,0,1|2,0,0]=4 116 B15R1.925 COC(=O)C1=CC(Br)=CC=C1NC(C)=O AC-89131 [0,1,0,0,0,1|2,0,0]=4 117 B15R1.11678 COC(=O)C1=CC=C(Br)C=C1S(C)(=O)=O AC-38599 [0,2,0,0,0,0|2,0,0]=4 118 B13R2.371 CC1CCC(=O)C2=C1C=CC=C2 AC-31841 [1,0,0,1,0,0|2,0,0]=4 119 B13R2.371 CN1C=NC(=O)C2=C1C=CC=C2 AC-80094 [1,0,0,1,0,0|1,0,1]=4 120 B13R2.582 COC1=CC=CC2=C1C(=O)CC2 AC-43809 [1,0,0,1,0,0|2,0,0]=4 121 B13R2.5514 CC(=O)C1=NC=CC=C1C2CC2 AC-95893 [1,0,0,1,0,0|2,0,0]=4 122 B13R2.12159 CC1(C)CC(=O)C2=C1C=CC=C2 AC-28437 [1,0,0,1,0,0|1,0,0]=3 123 B13R2.12159 CC1(C)NC(=O)C2=C1C=CC=C2 AC-70298 [1,0,0,1,0,0|2,0,0]=4 124 B13R2.5569 CN(C)C1=C2C=CSC2=CC=C1 AC-88083 [1,0,0,1,0,0|2,0,0]=4 125 B15R2.19309 COC(=O)C1=CC=CC2=NN(C)C=C12 AC-39491 [0,0,0,1,0,1|1,0,0]=3 126 B15R2.61763 CC1(C)C(=O)OC(=O)C2=C1C=CC=C2 AC-80896 [0,1,0,1,0,0|1,0,1]=4 127 B15R2.9032 CC1=C(O)C(=O)C2=C(C=CC=C2)N1C AC-81507 [0,1,0,1,0,0|2,0,0]=4 128 B11R1.59 COC(=O)C1=C(OC)C=CS1 AC-85391 [1,0,0,0,1,0|2,0,0]=4 129 B13R1.543 COC(=O)C1=CN=CC(N(C)C)=C1 AC-41225 [0,0,0,0,1,1|1,0,0]=3 130 B13R1.543 COC(=O)C1=NC(C(C)=O)=CC=C1 AC-86946 [0,0,0,0,1,1|2,0,0]=4 131 B13R1.543 COC(=O)C1=NC(N(C)C)=NC=C1 AC-89806 [0,0,0,0,1,1|1,0,0]=3 132 B13R1.543 COC(=O)C1=NC=CC(C(C)C)=C1 AC-94701 [0,0,0,0,1,1|2,0,0]=4 133 B15R1.3845 CNC(=O)OC1=CC=CC=C1OC(C)C AC-77022 [0,0,0,0,0,2|2,0,0]=4