0 B9R1.35 B(C1=CC(=CS1)C)(O)O PI-25213 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.35 B(C1=CC=C(O1)C)(O)O PI-18768 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.35 B(C1=CC=C(S1)C)(O)O PI-25216 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.35 Brc1scc(c1)C(=O)O PI-35044 [0,0,0,0,0,0|1,0,0]=1 4 B9R1.35 C1=C(N=C(S1)Br)C(=O)O PI-25633 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.35 C1=C(N=C(S1)C(=O)O)Br PI-45389 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.35 C1=C(N=C(S1)N)C(=O)O PI-16258 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.35 C1=C(OC(=C1)Br)C(=O)Cl PI-21496 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.35 C1=C(OC(=C1)Br)C(=O)O PI-21497 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.35 C1=C(OC(=C1)N)C(=O)O PI-19351 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.35 C1=C(SC(=C1)Br)C(=O)Cl PI-45457 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.35 C1=C(SC(=C1)Br)C(=O)N PI-29907 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.35 C1=C(SC(=C1)Br)C(=O)O PI-16448 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.35 C1=C(SC(=C1)Cl)C(=O)O PI-30361 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.35 C1=C(SC(=N1)Br)C(=O)O PI-25655 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.35 C1=C(SC(=N1)C)C(=O)O PI-36606 [0,0,0,0,0,0|2,0,0]=2 16 B9R1.35 C1=C(SC=C1C(=O)N)Br PI-44107 [0,0,0,0,0,0|2,0,0]=2 17 B9R1.35 C1C(N=C(S1)N)C(=O)O PI-12060 [0,0,0,0,0,0|2,0,2]=4 18 B9R1.35 C1C(NC(=O)S1)C(=O)O PI-47157 [0,0,0,0,0,0|2,0,2]=4 19 B9R1.35 CC(=O)C1=CC(Br)=CS1 PI-29021 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.35 CC(=O)C1=CC=C(S1)Br PI-16279 [0,0,0,0,0,0|4,0,0]=4 21 B9R1.35 CC(=O)C1=CC=C(S1)I PI-26551 [0,0,0,0,0,0|4,0,0]=4 22 B9R1.35 CC(=O)c1c[nH]c(C)n1 PI-36304 [0,0,0,0,0,0|3,0,0]=3 23 B9R1.35 CC(=O)c1cc(cs1)Cl PI-38201 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.35 CC(C1=CN=C(N)S1)=O PI-46739 [0,0,0,0,0,0|4,0,0]=4 25 B9R1.35 CC1=CC=C(O1)C(=O)Cl PI-19122 [0,0,0,0,0,0|3,0,0]=3 26 B9R1.35 CC1=CC=C(O1)C(=O)O PI-17727 [0,0,0,0,0,0|2,0,0]=2 27 B9R1.35 CC1=CC=C(S1)C(=O)C PI-27153 [0,0,0,0,0,0|3,0,0]=3 28 B9R1.35 CC1=CC=C(S1)C(=O)O PI-11163 [0,0,0,0,0,0|2,0,0]=2 29 B9R1.35 CC1=CSC(=C1)C(=O)O PI-29136 [0,0,0,0,0,0|2,0,0]=2 30 B9R1.35 CC1=NC=C(N1)[N+](=O)[O-] PI-31739 [0,0,0,0,0,0|3,0,1]=4 31 B9R1.35 CN1C=C(C=N1)[N+](=O)[O-] PI-41982 [0,0,0,0,0,0|3,0,1]=4 32 B9R1.35 Cc1cc(no1)C(=O)O PI-36872 [0,0,0,0,0,0|1,1,0]=2 33 B9R1.35 Cc1nc(co1)C(=O)O PI-38605 [0,0,0,0,0,0|1,1,0]=2 34 B9R1.35 Clc1ccc(s1)C(=O)Cl PI-26633 [0,0,0,0,0,0|4,0,0]=4 35 B9R1.35 Cn1cc(nc1)C(=O)O PI-38169 [0,0,0,0,0,0|3,0,0]=3 36 B9R1.35 Cn1ccc(n1)C(=O)O PI-38564 [0,0,0,0,0,0|3,0,0]=3 37 B9R1.35 O=C(C1=CSC(Cl)=C1)O PI-46668 [0,0,0,0,0,0|1,0,0]=1 38 B9R1.35 O=C(C1=NN=C(C)S1)[O-] PI-40879 [0,0,0,0,0,0|3,0,1]=4 39 B9R1.35 OB(C1=CN(C)N=C1)O PI-37378 [0,0,0,0,0,0|3,0,1]=4 40 B9R1.35 OC(=O)C1=CC(Br)=CN1 PI-39658 [0,0,0,0,0,0|3,0,0]=3 41 B9R1.35 OC(=O)c1c[nH]c(C)c1 PI-36150 [0,0,0,0,0,0|1,0,0]=1 42 B9R1.35 OC(=O)c1cc(Br)cs1 PI-29188 [0,0,0,0,0,0|3,0,0]=3 43 B9R1.35 OC(=O)c1cc([nH]n1)Cl PI-39269 [0,0,0,0,0,0|3,0,0]=3 44 B9R1.35 OC(=O)c1cc(no1)Br PI-39414 [0,0,0,0,0,0|3,0,0]=3 45 B9R1.35 OC(=O)c1ncc(s1)Br PI-39239 [0,0,0,0,0,0|4,0,0]=4 46 B8R1.1 Brc1cc(oc1)C=O PI-21495 [1,0,0,0,0,0|3,0,0]=4 47 B8R1.1 Brc1cc(sc1)C=O PI-16278 [1,0,0,0,0,0|3,0,0]=4 48 B8R1.1 Brc1ccc(C=O)o1 PI-31098 [1,0,0,0,0,0|3,0,0]=4 49 B8R1.1 Brc1ccc(C=O)s1 PI-35909 [1,0,0,0,0,0|3,0,0]=4 50 B8R1.1 Brc1ncc(s1)C=O PI-25590 [1,0,0,0,0,0|3,0,0]=4 51 B8R1.1 C1=C(N=C(S1)Br)CO PI-25632 [1,0,0,0,0,0|2,0,1]=4 52 B8R1.1 C1=C(OC(=C1)I)C=O PI-31133 [1,0,0,0,0,0|3,0,0]=4 53 B8R1.1 C1=C(SC(=C1)Cl)C=O PI-30886 [1,0,0,0,0,0|3,0,0]=4 54 B8R1.1 C1=C(SC(=N1)N)C=O PI-14095 [1,0,0,0,0,0|3,0,0]=4 55 B8R1.1 CC1=CC=C(O1)C=O PI-44598 [1,0,0,0,0,0|2,0,0]=3 56 B8R1.1 CC1=CSC(=C1)C=O PI-29744 [1,0,0,0,0,0|2,0,0]=3 57 B8R1.1 CC1=NC(=CS1)C=O PI-39568 [1,0,0,0,0,0|1,0,0]=2 58 B8R1.1 CC1=NC(=CS1)CCl PI-20165 [1,0,0,0,0,0|2,0,1]=4 59 B8R1.1 C[N]1C=CC(=N1)C=O PI-39712 [1,0,0,0,0,0|3,0,0]=4 60 B8R1.1 Cc1cc(no1)CO PI-20812 [1,0,0,0,0,0|1,1,1]=4 61 B8R1.1 Cc1ccc(C=O)s1 PI-10821 [1,0,0,0,0,0|2,0,0]=3 62 B8R1.1 Cn1cc(nc1)C=O PI-39321 [1,0,0,0,0,0|3,0,0]=4 63 B8R1.1 O=CC1=CN=C(C)S1 PI-39711 [1,0,0,0,0,0|2,0,0]=3 64 B8R1.1 O=CC1=CN=C(Cl)S1 PI-41521 [1,0,0,0,0,0|3,0,0]=4 65 B8R1.1 O=CC1=CSC(Br)=N1 PI-25631 [1,0,0,0,0,0|2,0,0]=3 66 B8R1.1 O=Cc1cnn(c1)C PI-33835 [1,0,0,0,0,0|2,0,0]=3 67 B8R1.7 B(C1=CNC=C1)(O)O PI-33181 [1,0,0,0,0,0|2,0,1]=4 68 B8R1.7 B(C1=CSC=C1)(O)O PI-28689 [1,0,0,0,0,0|1,0,1]=3 69 B8R1.7 C1=C(C=NO1)C(=O)O PI-14897 [1,0,0,0,0,0|1,1,0]=3 70 B8R1.7 C1=C(N=NS1)C(=O)O PI-28513 [1,0,0,0,0,0|2,0,0]=3 71 B8R1.7 C1=C(NC=N1)C(=O)O PI-31349 [1,0,0,0,0,0|2,0,0]=3 72 B8R1.7 C1=C(ON=C1)C(=O)Cl PI-29789 [1,0,0,0,0,0|3,0,0]=4 73 B8R1.7 C1=C(SC=N1)C(=O)O PI-25160 [1,0,0,0,0,0|2,0,0]=3 74 B8R1.7 C1=CN=C(N1)C(=O)O PI-40003 [1,0,0,0,0,0|3,0,0]=4 75 B8R1.7 C1=CNC=C1C(=O)O PI-34087 [1,0,0,0,0,0|1,0,0]=2 76 B8R1.7 C1=CNC=C1C(=O)O PI-48299 [1,0,0,0,0,0|1,0,0]=2 77 B8R1.7 C1=COC(=C1)C(=O)N PI-17349 [1,0,0,0,0,0|3,0,0]=4 78 B8R1.7 C1=COC=C1C(=N)N PI-19708 [1,0,0,0,0,0|2,1,0]=4 79 B8R1.7 C1=COC=C1C(=O)Cl PI-46981 [1,0,0,0,0,0|1,1,0]=3 80 B8R1.7 C1=COC=C1C(=O)O PI-16502 [1,0,0,0,0,0|0,1,0]=2 81 B8R1.7 C1=COC=C1C(=S)N PI-19750 [1,0,0,0,0,0|1,2,0]=4 82 B8R1.7 C1=CON=C1C(=O)O PI-48871 [1,0,0,0,0,0|1,1,0]=3 83 B8R1.7 C1=CSC(=C1)C(=O)N PI-50586 [1,0,0,0,0,0|3,0,0]=4 84 B8R1.7 C1=CSC(=C1)C(=O)[O-] PI-11153 [1,0,0,0,0,0|2,0,1]=4 85 B8R1.7 C1CC=C(C1)C(=O)O PI-30173 [1,0,0,0,0,0|1,0,2]=4 86 B8R1.7 C1COC=C1C(=O)O PI-48370 [1,0,0,0,0,0|0,1,2]=4 87 B8R1.7 CC(=O)C1=CC=CN1 PI-12083 [1,0,0,0,0,0|3,0,0]=4 88 B8R1.7 CC(=O)C1=CC=NN1 PI-44747 [1,0,0,0,0,0|3,0,0]=4 89 B8R1.7 CC(=O)C1=CN=CN1 PI-45218 [1,0,0,0,0,0|3,0,0]=4 90 B8R1.7 CC(=O)C1=CN=CN1 PI-45286 [1,0,0,0,0,0|3,0,0]=4 91 B8R1.7 CC(=O)c1cscc1 PI-16499 [1,0,0,0,0,0|1,0,0]=2 92 B8R1.7 CC(=O)n1cncc1 PI-31807 [1,0,0,0,0,0|3,0,0]=4 93 B8R1.7 ClC(=O)c1cscc1 PI-10762 [1,0,0,0,0,0|1,0,0]=2 94 B8R1.7 NC(=S)c1cscc1 PI-29381 [1,0,0,0,0,0|1,1,0]=3 95 B8R1.7 OB(c1cocc1)O PI-18685 [1,0,0,0,0,0|1,1,1]=4 96 B8R1.7 OB(c1ncsc1)O PI-39512 [1,0,0,0,0,0|2,0,1]=4 97 B8R1.7 OC(=O)C1=CNN=N1 PI-40359 [1,0,0,0,0,0|3,0,0]=4 98 B8R1.7 OC(=O)[C@H]1NCC=C1 PI-38250 [1,0,0,0,0,0|2,0,1]=4 99 B8R1.7 OC(=O)c1c[nH]nc1 PI-32193 [1,0,0,0,0,0|2,0,0]=3 100 B8R1.7 OC(=O)c1cc[nH]n1 PI-34779 [1,0,0,0,0,0|2,0,0]=3 101 B8R1.7 OC(=O)c1ccc[nH]1 PI-27813 [1,0,0,0,0,0|2,0,0]=3 102 B8R1.7 OC(=O)c1cccs1 PI-38239 [1,0,0,0,0,0|2,0,0]=3 103 B8R1.7 OC(=O)c1ccno1 PI-29335 [1,0,0,0,0,0|2,0,0]=3 104 B8R1.7 OC(=O)c1cocn1 PI-43182 [1,0,0,0,0,0|1,1,0]=3 105 B8R1.7 OC(=O)c1cscc1 PI-10764 [1,0,0,0,0,0|0,0,0]=1 106 B8R1.7 OC(=O)c1cscn1 PI-28011 [1,0,0,0,0,0|1,0,0]=2 107 B8R1.7 OC(=O)c1n[nH]cn1 PI-10407 [1,0,0,0,0,0|3,0,0]=4 108 B10R1.14 C1=C(C(OC)=O)N=C(S1)Cl PI-41958 [0,1,0,0,0,0|2,0,0]=3 109 B10R1.14 CC1=CC=C(O1)C(=O)OC PI-19366 [0,1,0,0,0,0|2,0,0]=3 110 B10R1.14 CC1=NC(=CO1)C(=O)OC PI-48165 [0,1,0,0,0,0|1,1,0]=3 111 B10R1.14 CCC(=O)C1=CC=C(O1)C PI-17359 [0,1,0,0,0,0|3,0,0]=4 112 B10R1.14 COC(=O)C1=CC=C(O1)Br PI-30379 [0,1,0,0,0,0|3,0,0]=4 113 B10R1.14 COC(=O)C1=CC=C(S1)Cl PI-45460 [0,1,0,0,0,0|3,0,0]=4 114 B10R1.14 COC(=O)C1=CN=C(S1)Br PI-25654 [0,1,0,0,0,0|3,0,0]=4 115 B10R1.14 COC(=O)C1=CSC(=N1)Br PI-25237 [0,1,0,0,0,0|2,0,0]=3 116 B10R1.14 COC(=O)C1=CSC(=N1)N PI-16259 [0,1,0,0,0,0|2,0,0]=3 117 B10R1.14 COC(=O)c1cc([nH]n1)N PI-39462 [0,1,0,0,0,0|3,0,0]=4 118 B10R1.14 COC(=O)c1cc(c[nH]1)Br PI-33152 [0,1,0,0,0,0|3,0,0]=4 119 B10R1.14 COC(=O)c1cc(cs1)Br PI-39011 [0,1,0,0,0,0|3,0,0]=4 120 B10R1.14 COC(=O)c1cc(cs1)N PI-35482 [0,1,0,0,0,0|3,0,0]=4 121 B10R1.14 COC(=O)c1cc(no1)O PI-36768 [0,1,0,0,0,0|3,0,0]=4 122 B10R1.14 COC(=O)c1ccc([nH]1)C PI-39271 [0,1,0,0,0,0|2,0,0]=3 123 B10R1.14 COC(=O)c1cnc(s1)N PI-25778 [0,1,0,0,0,0|3,0,0]=4 124 B10R1.14 COC(=O)c1scc(C)c1 PI-24693 [0,1,0,0,0,0|2,0,0]=3 125 B10R1.14 O=C(C1=CSC(Br)=C1)OC PI-46727 [0,1,0,0,0,0|1,0,0]=2 126 B10R1.14 O=C(C1=CSC(C)=N1)OC PI-40824 [0,1,0,0,0,0|1,0,0]=2 127 B10R1.31 C1=C(SC(=C1)C(=O)O)C=O PI-29607 [0,1,0,0,0,0|2,0,1]=4 128 B10R1.31 C1=C(SC=C1[N+](=O)[O-])C#N PI-49740 [0,1,0,0,0,0|1,0,2]=4 129 B10R1.31 CCC1=NC=C(S1)C(=O)O PI-36607 [0,1,0,0,0,0|2,0,0]=3 130 B10R1.31 CCc1ccc(s1)C(=O)O PI-29371 [0,1,0,0,0,0|2,0,0]=3 131 B10R1.31 CSc1ccc(s1)C(=O)O PI-29329 [0,1,0,0,0,0|2,0,0]=3 132 B10R1.31 N#Cc1c[nH]c(c1)C(=O)O PI-36278 [0,1,0,0,0,0|2,0,1]=4 133 B10R1.31 O=Cc1ccc([nH]1)C(=O)O PI-36297 [0,1,0,0,0,0|2,0,1]=4 134 B10R1.31 O=Cc1ccc(o1)C(=O)O PI-17709 [0,1,0,0,0,0|2,0,1]=4 135 B10R1.31 O=Cc1scc(c1)B(O)O PI-29252 [0,1,0,0,0,0|1,0,2]=4 136 B10R1.31 OCc1ccc(o1)C(=O)O PI-19793 [0,1,0,0,0,0|2,0,0]=3 137 B10R1.58 CC1=C(SC(=C1)C(=O)O)C PI-29578 [0,1,0,0,0,0|2,0,0]=3 138 B10R1.58 OC(=O)c1cc(c(s1)Br)C PI-39423 [0,1,0,0,0,0|2,0,0]=3 139 B10R1.58 OC(=O)c1cc(c(s1)Br)Cl PI-39422 [0,1,0,0,0,0|3,0,0]=4 140 B10R1.58 OC(=O)c1nn(C)c(C)c1 PI-21985 [0,1,0,0,0,0|2,0,0]=3 141 B10R1.58 OC(=O)c1oc(C)c(C)c1 PI-17532 [0,1,0,0,0,0|2,0,0]=3 142 B10R1.58 OC(=O)c1sc(Br)c(Br)c1 PI-26016 [0,1,0,0,0,0|3,0,0]=4 143 B10R1.59 Brc1sc(c(c1)C(=O)O)Br PI-35047 [0,1,0,0,0,0|1,0,0]=2 144 B10R1.59 C1=C(SC(=C1C(=O)Cl)Cl)Cl PI-26753 [0,1,0,0,0,0|2,0,0]=3 145 B10R1.59 C1=C(SC(=C1S(=O)[O-])Cl)Cl PI-29515 [0,1,0,0,0,0|2,0,1]=4 146 B10R1.59 CC1=C(OC(=C1)Br)C(=O)O PI-49746 [0,1,0,0,0,0|3,0,0]=4 147 B10R1.59 CC1=C(SC(=N1)C)C(=O)O PI-21993 [0,1,0,0,0,0|2,0,0]=3 148 B10R1.59 CC1=CC(=C(N1)C(=O)O)C PI-31903 [0,1,0,0,0,0|2,0,0]=3 149 B10R1.59 CC1=CC(=C(N1)C)C(=O)O PI-29708 [0,1,0,0,0,0|1,0,0]=2 150 B10R1.59 CC1=CC(=C(O1)C)C(=O)C PI-26051 [0,1,0,0,0,0|1,1,0]=3 151 B10R1.59 CC1=CC(=C(O1)C)C(=O)Cl PI-23851 [0,1,0,0,0,0|1,1,0]=3 152 B10R1.59 CC1=NN(C(=C1)C(=O)Cl)C PI-21981 [0,1,0,0,0,0|3,0,0]=4 153 B10R1.59 CC1=NN(C(=C1)C(=O)N)C PI-21983 [0,1,0,0,0,0|3,0,0]=4 154 B10R1.59 CC1=NN(C(=C1)C(=O)O)C PI-21984 [0,1,0,0,0,0|2,0,0]=3 155 B10R1.59 Cc1nc(c(s1)C(=O)C)C PI-11114 [0,1,0,0,0,0|3,0,0]=4 156 B10R1.59 Cc1sc(c(c1)C(=O)O)C PI-29415 [0,1,0,0,0,0|0,0,0]=1 157 B10R1.59 Clc1sc(Cl)c(c1)C(=O)C PI-21085 [0,1,0,0,0,0|2,0,0]=3 158 B10R1.59 Clc1sc(c(c1)C(=O)O)Cl PI-18502 [0,1,0,0,0,0|1,0,0]=2 159 B10R1.59 Cn1cc(Br)c(n1)C(=O)O PI-22168 [0,1,0,0,0,0|3,0,0]=4 160 B10R1.59 O=C(C1=C(Cl)SC(Cl)=N1)O PI-46772 [0,1,0,0,0,0|2,0,0]=3 161 B10R1.194 OC(=O)c1scc(Br)c1C PI-22179 [0,1,0,0,0,0|3,0,0]=4 162 B10R1.194 OC(=O)c1snc(c1Cl)Cl PI-34849 [0,1,0,0,0,0|3,0,0]=4 163 B8R0.23 CC(=O)NC(=C)C(=O)O PI-26724 [0,0,1,0,0,0|1,1,0]=3 164 B8R0.28 CC(=C\C=C\C(=O)C)C PI-48754 [0,0,1,0,0,0|2,0,1]=4 165 B8R0.28 CN(C\C=C\C(=O)O)C PI-32230 [0,0,1,0,0,0|2,0,1]=4 166 B10R1.13 B(C1=CN=C(C=C1)C)(O)O PI-44977 [0,0,0,0,0,1|2,0,1]=4 167 B10R1.13 B(C1=CN=C(N=C1)C)(O)O PI-48987 [0,0,0,0,0,1|2,0,1]=4 168 B10R1.13 B(C1=NC=C(C=C1)C)(O)O PI-25499 [0,0,0,0,0,1|2,0,1]=4 169 B10R1.13 Brc1ccc(cc1)C(=O)O PI-27741 [0,0,0,0,0,1|2,0,0]=3 170 B10R1.13 Brc1ccc(cn1)C(=O)O PI-10090 [0,0,0,0,0,1|2,0,0]=3 171 B10R1.13 Brc1ccc(nc1)C(=O)O PI-10180 [0,0,0,0,0,1|2,0,0]=3 172 B10R1.13 C1=C(C=NC(=N1)C(=O)O)Br PI-32859 [0,0,0,0,0,1|3,0,0]=4 173 B10R1.13 C1=CC(=CC=C1C(=O)Cl)F PI-11984 [0,0,0,0,0,1|3,0,0]=4 174 B10R1.13 C1=CC(=CC=C1C(=O)N)Cl PI-30790 [0,0,0,0,0,1|3,0,0]=4 175 B10R1.13 C1=CC(=CC=C1C(=O)N)O PI-20729 [0,0,0,0,0,1|3,0,0]=4 176 B10R1.13 C1=CC(=CC=C1C(=O)O)I PI-12206 [0,0,0,0,0,1|2,0,0]=3 177 B10R1.13 C1=CC(=CC=C1C(=O)O)S PI-11996 [0,0,0,0,0,1|2,0,0]=3 178 B10R1.13 C1=CC(=CC=C1C(=O)[O-])F PI-28585 [0,0,0,0,0,1|2,0,1]=4 179 B10R1.13 C1=CC(=CC=C1C(N)=O)F PI-28843 [0,0,0,0,0,1|3,0,0]=4 180 B10R1.13 C1=CC(=NC=C1C(=O)N)Cl PI-30802 [0,0,0,0,0,1|3,0,0]=4 181 B10R1.13 C1=CC(=NC=C1C(=O)N)N PI-17748 [0,0,0,0,0,1|3,0,0]=4 182 B10R1.13 C1=CC(=NC=C1C(=O)O)Cl PI-31219 [0,0,0,0,0,1|2,0,0]=3 183 B10R1.13 C1=CC(=NC=C1C(=O)O)F PI-16388 [0,0,0,0,0,1|2,0,0]=3 184 B10R1.13 C1=CC(=NC=C1C(=O)O)N PI-10089 [0,0,0,0,0,1|2,0,0]=3 185 B10R1.13 C1=CC(=O)NC=C1C(=O)O PI-10378 [0,0,0,0,0,1|2,0,0]=3 186 B10R1.13 C1=CC(=O)OC=C1C(=O)O PI-31209 [0,0,0,0,0,1|1,1,0]=3 187 B10R1.13 C1=C[N+](=CC=C1C(=O)O)[O-] PI-18162 [0,0,0,0,0,1|3,0,0]=4 188 B10R1.13 CC(=O)C1=CC=C(C=C1)Br PI-44871 [0,0,0,0,0,1|3,0,0]=4 189 B10R1.13 CC(=O)C1=CC=C(C=C1)N PI-29588 [0,0,0,0,0,1|3,0,0]=4 190 B10R1.13 CC(=O)C1=CN=C(C=C1)N PI-34884 [0,0,0,0,0,1|3,0,0]=4 191 B10R1.13 CC(=O)C1=NC=C(C=C1)Br PI-41220 [0,0,0,0,0,1|3,0,0]=4 192 B10R1.13 CC(=O)c1ccc(cc1)I PI-29117 [0,0,0,0,0,1|3,0,0]=4 193 B10R1.13 CC(C1=CC=C(O)C=C1)=O PI-37424 [0,0,0,0,0,1|3,0,0]=4 194 B10R1.13 CC1=CC=C(C=C1)C(=N)N PI-29803 [0,0,0,0,0,1|3,0,0]=4 195 B10R1.13 CC1=CC=C(C=C1)C(=O)C PI-32267 [0,0,0,0,0,1|2,0,0]=3 196 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl PI-34220 [0,0,0,0,0,1|2,0,0]=3 197 B10R1.13 CC1=CC=C(C=C1)C(=S)N PI-30352 [0,0,0,0,0,1|2,1,0]=4 198 B10R1.13 CC1=CC=C(C=C1)C(C)O PI-32578 [0,0,0,0,0,1|2,0,1]=4 199 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O PI-49806 [0,0,0,0,0,1|2,0,1]=4 200 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O PI-49807 [0,0,0,0,0,1|2,0,1]=4 201 B10R1.13 CC1=NC=C(C=C1)C(=O)C PI-34864 [0,0,0,0,0,1|2,0,0]=3 202 B10R1.13 CC1=NC=C(C=C1)[N+](=O)[O-] PI-24226 [0,0,0,0,0,1|2,0,1]=4 203 B10R1.13 Cc1ccc(cc1)S(=O)O PI-38460 [0,0,0,0,0,1|2,0,0]=3 204 B10R1.13 Cc1ccc(cn1)C(=O)O PI-16698 [0,0,0,0,0,1|1,0,0]=2 205 B10R1.13 Cc1cnc(cn1)C(=O)O PI-16774 [0,0,0,0,0,1|1,0,0]=2 206 B10R1.13 Cc1ncc(cn1)C(=O)O PI-36501 [0,0,0,0,0,1|1,0,0]=2 207 B10R1.13 ClC(=O)c1ccc(Cl)cc1 PI-34309 [0,0,0,0,0,1|3,0,0]=4 208 B10R1.13 ClC(=O)c1ccc(cc1)Br PI-11966 [0,0,0,0,0,1|3,0,0]=4 209 B10R1.13 ClC(=O)c1ccc(cc1)C PI-32402 [0,0,0,0,0,1|2,0,0]=3 210 B10R1.13 Clc1ccc(cn1)C(=O)Cl PI-12964 [0,0,0,0,0,1|3,0,0]=4 211 B10R1.13 Fc1ccc(cc1)C(=O)O PI-16490 [0,0,0,0,0,1|2,0,0]=3 212 B10R1.13 NC(=O)c1ccc(cc1)Br PI-30860 [0,0,0,0,0,1|3,0,0]=4 213 B10R1.13 Nc1ccc(cc1)C(=O)N PI-38043 [0,0,0,0,0,1|3,0,0]=4 214 B10R1.13 Nc1ccc(nc1)C(=O)N PI-36522 [0,0,0,0,0,1|3,0,0]=4 215 B10R1.13 Nc1ccc(nc1)C(=O)O PI-10173 [0,0,0,0,0,1|2,0,0]=3 216 B10R1.13 O=C(N)C1=CC=C(I)C=C1 PI-41985 [0,0,0,0,0,1|3,0,0]=4 217 B10R1.13 O=C(N)C1=CN=C(C)C=C1 PI-37349 [0,0,0,0,0,1|2,0,0]=3 218 B10R1.13 O=[S@@](C1=CC=C(C)C=C1)N PI-41430 [0,0,0,0,0,1|3,0,0]=4 219 B10R1.13 O=[S@](C1=CC=C(C)C=C1)N PI-41427 [0,0,0,0,0,1|3,0,0]=4 220 B10R1.13 OB(c1ccc(cc1)C)O PI-35795 [0,0,0,0,0,1|2,0,1]=4 221 B10R1.13 OC(=O)c1ccc(nn1)Cl PI-38350 [0,0,0,0,0,1|3,0,0]=4 222 B10R1.13 OC(=O)c1cnc(cn1)Cl PI-38333 [0,0,0,0,0,1|2,0,0]=3 223 B10R1.13 Oc1ccc(nn1)C(=O)O PI-14659 [0,0,0,0,0,1|3,0,0]=4 224 B10R1.54 CC1=CSC(=C1)CC(=O)C PI-48378 [0,0,0,0,0,1|3,0,0]=4 225 B10R1.54 CC1=NN(C=C1)CC(=O)O PI-17370 [0,0,0,0,0,1|3,0,0]=4 226 B10R1.54 Nc1nc(cs1)CC(=O)O PI-11022 [0,0,0,0,0,1|2,0,0]=3 227 B10R1.54 Nc1nc(cs1)CC(=O)O PI-12833 [0,0,0,0,0,1|2,0,0]=3 228 B10R1.113 B(C1=CC(=CC=C1)C)(O)O PI-11574 [0,0,0,0,0,1|2,0,1]=4 229 B10R1.113 B(C1=CC(=CN=C1)C)(O)O PI-25250 [0,0,0,0,0,1|2,0,1]=4 230 B10R1.113 B(C1=NC=CC(=C1)C)(O)O PI-25498 [0,0,0,0,0,1|2,0,1]=4 231 B10R1.113 Brc1cccc(c1)C(=O)Cl PI-11911 [0,0,0,0,0,1|3,0,0]=4 232 B10R1.113 Brc1cccc(c1)C(=O)O PI-12741 [0,0,0,0,0,1|2,0,0]=3 233 B10R1.113 Brc1cccc(n1)C(=O)O PI-16042 [0,0,0,0,0,1|3,0,0]=4 234 B10R1.113 Brc1nccc(c1)C(=O)O PI-28742 [0,0,0,0,0,1|2,0,0]=3 235 B10R1.113 C1=C(C=NC=C1Br)C(=O)O PI-22834 [0,0,0,0,0,1|2,0,0]=3 236 B10R1.113 C1=C(C=NC=C1Cl)C(=O)O PI-13096 [0,0,0,0,0,1|2,0,0]=3 237 B10R1.113 C1=C(C=NC=C1F)C(=O)O PI-19548 [0,0,0,0,0,1|2,0,0]=3 238 B10R1.113 C1=C(C=NC=C1N)C(=O)O PI-10028 [0,0,0,0,0,1|2,0,0]=3 239 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)Cl PI-12189 [0,0,0,0,0,1|3,0,0]=4 240 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)N PI-23129 [0,0,0,0,0,1|3,0,0]=4 241 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)O PI-34230 [0,0,0,0,0,1|2,0,0]=3 242 B10R1.113 C1=CC(=CC(=C1)F)C(=O)Cl PI-12124 [0,0,0,0,0,1|3,0,0]=4 243 B10R1.113 C1=CC(=CC(=C1)F)C(=O)O PI-10427 [0,0,0,0,0,1|2,0,0]=3 244 B10R1.113 C1=CC(=CC(=C1)F)C(=O)[O-] PI-28584 [0,0,0,0,0,1|2,0,1]=4 245 B10R1.113 C1=CC(=NC(=C1)N)C(=O)O PI-24258 [0,0,0,0,0,1|3,0,0]=4 246 B10R1.113 C1=CN=C(C=C1Br)C(=O)O PI-35911 [0,0,0,0,0,1|2,0,0]=3 247 B10R1.113 C1=CN=C(C=C1C(=O)O)Cl PI-16713 [0,0,0,0,0,1|2,0,0]=3 248 B10R1.113 C1=CN=C(C=C1C(=O)O)N PI-28116 [0,0,0,0,0,1|2,0,0]=3 249 B10R1.113 C1=CN=C(C=C1Cl)C(=O)Cl PI-33856 [0,0,0,0,0,1|3,0,0]=4 250 B10R1.113 C1=CN=C(C=C1Cl)C(=O)O PI-34707 [0,0,0,0,0,1|2,0,0]=3 251 B10R1.113 C1=CN=C(N=C1C(=O)O)Cl PI-41170 [0,0,0,0,0,1|3,0,0]=4 252 B10R1.113 C1=CNC(=CC1=O)C(=O)O PI-34877 [0,0,0,0,0,1|2,0,0]=3 253 B10R1.113 C1=CNC(=O)C=C1C(=O)O PI-28282 [0,0,0,0,0,1|2,0,0]=3 254 B10R1.113 CC(=O)C1=CC(=CC=C1)I PI-29141 [0,0,0,0,0,1|3,0,0]=4 255 B10R1.113 CC(=O)C1=CC(=CN=C1)Br PI-26605 [0,0,0,0,0,1|3,0,0]=4 256 B10R1.113 CC1=CC(=CC=C1)C(=N)N PI-30283 [0,0,0,0,0,1|3,0,0]=4 257 B10R1.113 CC1=CC(=CC=C1)C(=O)C PI-10859 [0,0,0,0,0,1|2,0,0]=3 258 B10R1.113 CC1=CC(=CC=C1)[C@@H](C)O PI-49835 [0,0,0,0,0,1|2,0,1]=4 259 B10R1.113 CC1=CC(=CN=C1)C(=O)O PI-13102 [0,0,0,0,0,1|1,0,0]=2 260 B10R1.113 CC1=NC(=CC=C1)C(=O)O PI-31796 [0,0,0,0,0,1|2,0,0]=3 261 B10R1.113 CC1=NC=CC(C(C)=O)=C1 PI-46770 [0,0,0,0,0,1|2,0,0]=3 262 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N PI-17447 [0,0,0,0,0,1|3,0,0]=4 263 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)O PI-17996 [0,0,0,0,0,1|2,0,0]=3 264 B10R1.113 C[n+]1cccc(c1)C(=O)[O-] PI-39076 [0,0,0,0,0,1|2,0,1]=4 265 B10R1.113 Cc1nccc(n1)C(=O)O PI-36794 [0,0,0,0,0,1|2,0,0]=3 266 B10R1.113 Cc1ncnc(c1)C(=O)C PI-35999 [0,0,0,0,0,1|2,0,0]=3 267 B10R1.113 Clc1cccc(n1)C(=O)O PI-10178 [0,0,0,0,0,1|3,0,0]=4 268 B10R1.113 Clc1nccc(c1)C(=O)C PI-38296 [0,0,0,0,0,1|3,0,0]=4 269 B10R1.113 Fc1cccc(c1)C(=O)C PI-28549 [0,0,0,0,0,1|3,0,0]=4 270 B10R1.113 Fc1cccc(n1)C(=O)O PI-34433 [0,0,0,0,0,1|3,0,0]=4 271 B10R1.113 Fc1nccc(c1)C(=O)O PI-19547 [0,0,0,0,0,1|2,0,0]=3 272 B10R1.113 Ic1cccc(c1)C(=O)O PI-12091 [0,0,0,0,0,1|2,0,0]=3 273 B10R1.113 Ic1nccc(c1)C(=O)O PI-36519 [0,0,0,0,0,1|2,0,0]=3 274 B10R1.113 NC(=O)c1cc(Br)cnc1 PI-30430 [0,0,0,0,0,1|3,0,0]=4 275 B10R1.113 Nc1cccc(c1)C(=O)C PI-32567 [0,0,0,0,0,1|3,0,0]=4 276 B10R1.113 Nc1cccc(c1)C(=O)N PI-30514 [0,0,0,0,0,1|3,0,0]=4 277 B10R1.113 O=C(C1=CC(C)=NC=C1)O PI-36276 [0,0,0,0,0,1|1,0,0]=2 278 B10R1.113 O=C(C1=CC(C=CO1)=O)O PI-40052 [0,0,0,0,0,1|2,0,0]=3 279 B10R1.113 O=C(C1=NC(Cl)=CN=C1)O PI-37167 [0,0,0,0,0,1|3,0,0]=4 280 B10R1.113 OC(=O)c1cc(Cl)nnc1 PI-38264 [0,0,0,0,0,1|2,0,0]=3 281 B10R1.113 OC(=O)c1cccc(O)n1 PI-16038 [0,0,0,0,0,1|3,0,0]=4 282 B10R1.113 Oc1cccc(c1)C(=O)C PI-31363 [0,0,0,0,0,1|3,0,0]=4 283 B10R1.113 Oc1cccc(c1)C(=O)N PI-30785 [0,0,0,0,0,1|3,0,0]=4 284 B10R1.113 Oc1cccc(c1)C(=O)O PI-33399 [0,0,0,0,0,1|2,0,0]=3 285 B10R1.113 Oc1cncc(c1)C(=O)O PI-10172 [0,0,0,0,0,1|2,0,0]=3 286 B10R1.113 Oc1ncnc(c1)C(=O)O PI-31803 [0,0,0,0,0,1|2,0,0]=3 287 B10R1.113 S=C(N)C1=CC=CC(C)=C1 PI-19344 [0,0,0,0,0,1|2,1,0]=4 288 B10R1.113 [O-][N+](=O)c1cc(C)ccn1 PI-28226 [0,0,0,0,0,1|2,0,1]=4 289 B7R0.4 CC=CC=CC(=O)[O-] PI-15818 [1,0,1,0,0,0|1,0,1]=4 290 B7R0.4 CCO\C=C\C(=O)O PI-41236 [1,0,1,0,0,0|0,1,1]=4 291 B7R0.6 CC(=O)C=CC(=O)O PI-29616 [1,0,1,0,0,0|0,1,0]=3 292 B7R1.1 BrCc1cscc1 PI-14311 [2,0,0,0,0,0|1,0,1]=4 293 B7R1.1 C#Cc1cscc1 PI-39299 [2,0,0,0,0,0|1,0,1]=4 294 B7R1.1 C1=C(C=N[NH]1)C=O PI-39404 [2,0,0,0,0,0|2,0,0]=4 295 B7R1.1 C1=C(N=CS1)C=O PI-25454 [2,0,0,0,0,0|1,0,0]=3 296 B7R1.1 C1=C(N=NS1)C=O PI-29425 [2,0,0,0,0,0|2,0,0]=4 297 B7R1.1 C1=C(NC=N1)C=O PI-34783 [2,0,0,0,0,0|2,0,0]=4 298 B7R1.1 C1=CNC=C1C=O PI-34088 [2,0,0,0,0,0|1,0,0]=3 299 B7R1.1 C1=CSC(=C1)C=O PI-44709 [2,0,0,0,0,0|2,0,0]=4 300 B7R1.1 C1=CSC=C1C#N PI-20214 [2,0,0,0,0,0|1,0,1]=4 301 B7R1.1 C1=CSC=C1CN PI-31789 [2,0,0,0,0,0|1,0,1]=4 302 B7R1.1 CCC1=CSC=C1 PI-35073 [2,0,0,0,0,0|1,0,1]=4 303 B7R1.1 COc1cscc1 PI-27269 [2,0,0,0,0,0|2,0,0]=4 304 B7R1.1 CSC1=CSC=C1 PI-29322 [2,0,0,0,0,0|2,0,0]=4 305 B7R1.1 O=Cc1cc[nH]n1 PI-39063 [2,0,0,0,0,0|2,0,0]=4 306 B7R1.1 O=Cc1ccc[nH]1 PI-16523 [2,0,0,0,0,0|2,0,0]=4 307 B7R1.1 O=Cc1cnco1 PI-38922 [2,0,0,0,0,0|2,0,0]=4 308 B7R1.1 O=Cc1cncs1 PI-25019 [2,0,0,0,0,0|2,0,0]=4 309 B7R1.1 O=Cc1cscc1 PI-10763 [2,0,0,0,0,0|0,0,0]=2 310 B7R1.1 OCc1cscc1 PI-29874 [2,0,0,0,0,0|0,0,1]=3 311 B7R1.1 OCc1cscn1 PI-25015 [2,0,0,0,0,0|1,0,1]=4 312 B7R1.2 C1=C(N=C(S1)N)O PI-45401 [2,0,0,0,0,0|2,0,0]=4 313 B7R1.2 C1=C(SC=C1Br)Br PI-26554 [2,0,0,0,0,0|2,0,0]=4 314 B7R1.2 CC1=CC(=CS1)Br PI-22178 [2,0,0,0,0,0|1,0,0]=3 315 B7R1.2 CC1=CC(=O)N=N1 PI-30060 [2,0,0,0,0,0|2,0,0]=4 316 B7R1.2 CC1=CSC(=N1)C PI-11115 [2,0,0,0,0,0|1,0,1]=4 317 B7R1.2 Cc1[nH][nH]c(=O)c1 PI-10806 [2,0,0,0,0,0|2,0,0]=4 318 B7R1.2 Cc1[nH]cc(c1)C PI-10987 [2,0,0,0,0,0|1,0,1]=4 319 B7R1.2 Cc1scc(c1)C PI-29816 [2,0,0,0,0,0|0,0,1]=3 320 B9R1.21 CCC1=CC=C(O1)C=O PI-17705 [1,1,0,0,0,0|2,0,0]=4 321 B9R1.21 CSc1ccc(s1)C=O PI-29388 [1,1,0,0,0,0|2,0,0]=4 322 B9R1.22 CC1=C(SC(=N1)C)C=O PI-45390 [1,1,0,0,0,0|2,0,0]=4 323 B9R1.22 CC1=CC(=C(S1)C)C=O PI-29416 [1,1,0,0,0,0|0,0,0]=2 324 B9R1.22 CC1=NN(C(=C1)C=O)C PI-21982 [1,1,0,0,0,0|2,0,0]=4 325 B9R1.22 NC1=C(C=C(S1)C)C#N PI-22810 [1,1,0,0,0,0|1,0,1]=4 326 B9R1.22 O=Cc1[nH]c(cc1C)C PI-21987 [1,1,0,0,0,0|2,0,0]=4 327 B9R1.22 O=Cc1cn(nc1C)C PI-38563 [1,1,0,0,0,0|2,0,0]=4 328 B9R1.132 O=Cc1cnn(c1C)C PI-38562 [1,1,0,0,0,0|2,0,0]=4 329 B9R1.11 C1=CSC=C1C(=O)CBr PI-29147 [1,1,0,0,0,0|1,0,0]=3 330 B9R1.11 C1=CSC=C1C(=O)NN PI-29542 [1,1,0,0,0,0|1,0,0]=3 331 B9R1.11 COC(=O)C1=CC=CO1 PI-13054 [1,1,0,0,0,0|2,0,0]=4 332 B9R1.11 COC(=O)C1=CC=NN1 PI-50563 [1,1,0,0,0,0|2,0,0]=4 333 B9R1.11 COC(=O)C1=CN=CN1 PI-40206 [1,1,0,0,0,0|2,0,0]=4 334 B9R1.11 COC(=O)C1=CN=CS1 PI-25162 [1,1,0,0,0,0|2,0,0]=4 335 B9R1.11 COC(=O)C1=COC=C1 PI-19097 [1,1,0,0,0,0|0,1,0]=3 336 B9R1.11 COC(=O)c1cccs1 PI-30692 [1,1,0,0,0,0|2,0,0]=4 337 B9R1.11 O=C(C1=CC=CN1)OC PI-42625 [1,1,0,0,0,0|2,0,0]=4 338 B9R1.11 O=C(C1=CNC=C1)OC PI-46831 [1,1,0,0,0,0|1,0,0]=3 339 B9R1.19 ClS(=O)(=O)c1cscc1 PI-39413 [1,1,0,0,0,0|1,0,1]=4 340 B9R1.41 B(C1=C(SC=C1)Cl)(O)O PI-35132 [1,1,0,0,0,0|1,0,1]=4 341 B9R1.41 B(C1=CSC=C1Br)(O)O PI-29028 [1,1,0,0,0,0|1,0,1]=4 342 B9R1.41 B(C1=CSC=C1C)(O)O PI-35133 [1,1,0,0,0,0|1,0,1]=4 343 B9R1.41 C1=C(C(=CS1)Br)C(=O)O PI-29187 [1,1,0,0,0,0|0,0,0]=2 344 B9R1.41 C1=CSC(=C1Br)C(=O)O PI-22617 [1,1,0,0,0,0|2,0,0]=4 345 B9R1.41 C1=CSC(=C1Cl)C(=O)O PI-10801 [1,1,0,0,0,0|2,0,0]=4 346 B9R1.41 C1=CSC(=C1[N+](=O)[O-])Cl PI-20193 [1,1,0,0,0,0|1,0,1]=4 347 B9R1.41 C1=NC(=C(S1)N)C(=O)N PI-48355 [1,1,0,0,0,0|2,0,0]=4 348 B9R1.41 C1=NNC(=C1C(=O)O)N PI-13600 [1,1,0,0,0,0|2,0,0]=4 349 B9R1.41 CC1=C(C=CO1)C(=O)Cl PI-19717 [1,1,0,0,0,0|1,1,0]=4 350 B9R1.41 CC1=C(C=NO1)C(=O)O PI-10238 [1,1,0,0,0,0|1,1,0]=4 351 B9R1.41 CC1=C(OC=C1)C(=O)O PI-17475 [1,1,0,0,0,0|2,0,0]=4 352 B9R1.41 CC1=C(SC=C1)C(=O)O PI-11161 [1,1,0,0,0,0|2,0,0]=4 353 B9R1.41 CC1=C(SC=N1)C(=O)O PI-11138 [1,1,0,0,0,0|2,0,0]=4 354 B9R1.41 Cn1cncc1C(=O)O PI-35821 [1,1,0,0,0,0|2,0,0]=4 355 B9R1.41 O=C(C1=C(Br)SC=C1)O PI-41655 [1,1,0,0,0,0|0,0,0]=2 356 B9R1.41 O=C(C1=C(N)SC=C1)N PI-37067 [1,1,0,0,0,0|1,0,0]=3 357 B9R1.41 OC(=O)c1occc1Br PI-39205 [1,1,0,0,0,0|2,0,0]=4 358 B9R1.41 OC(=O)c1sccc1O PI-36902 [1,1,0,0,0,0|2,0,0]=4 359 B11R1.3 BrCc1ccc(cc1)C(=O)O PI-11969 [0,1,0,0,0,1|1,0,0]=3 360 B11R1.3 C#CC1=CC=C(C=C1)C(=O)O PI-46517 [0,1,0,0,0,1|1,0,1]=4 361 B11R1.3 C1=CC(=CC=C1C(=O)O)NN PI-11467 [0,1,0,0,0,1|2,0,0]=4 362 B11R1.3 C1=CC(=CC=C1CO)C(=O)O PI-24305 [0,1,0,0,0,1|1,0,0]=3 363 B11R1.3 C1=CC(=NC=C1C(=O)O)NN PI-35028 [0,1,0,0,0,1|2,0,0]=4 364 B11R1.3 C1=CC(=NC=C1C=O)C(=O)O PI-43981 [0,1,0,0,0,1|1,0,1]=4 365 B11R1.3 C=Cc1ccc(cc1)C(=O)O PI-30056 [0,1,0,0,0,1|1,0,1]=4 366 B11R1.3 CC(C1=CC=C(SC)C=C1)=O PI-16796 [0,1,0,0,0,1|2,0,0]=4 367 B11R1.3 CCC1=CC=C(C=C1)C(=O)C PI-12886 [0,1,0,0,0,1|2,0,0]=4 368 B11R1.3 CCC1=CC=C(C=C1)C(=O)Cl PI-12125 [0,1,0,0,0,1|2,0,0]=4 369 B11R1.3 CCC1=CC=C(C=C1)C(=O)N PI-30492 [0,1,0,0,0,1|2,0,0]=4 370 B11R1.3 COC1=CC=C(C=C1)C(=O)N PI-10932 [0,1,0,0,0,1|2,0,0]=4 371 B11R1.3 COc1ccc(cc1)C(=O)O PI-31764 [0,1,0,0,0,1|1,0,0]=3 372 B11R1.3 COc1ccc(cc1)C(Cl)=O PI-31760 [0,1,0,0,0,1|2,0,0]=4 373 B11R1.3 COc1ccc(cn1)C(=O)O PI-28741 [0,1,0,0,0,1|1,0,0]=3 374 B11R1.3 COc1ccc(nc1)C(=O)O PI-38926 [0,1,0,0,0,1|1,0,0]=3 375 B11R1.3 COc1ncc(nc1)C(=O)O PI-38849 [0,1,0,0,0,1|1,0,0]=3 376 B11R1.3 ClCc1ccc(cc1)C(=O)O PI-16127 [0,1,0,0,0,1|1,0,0]=3 377 B11R1.3 NCc1ccc(cc1)C(=O)O PI-13119 [0,1,0,0,0,1|1,0,0]=3 378 B11R1.3 O=C(O)C1=CC=C(CC)C=C1 PI-10223 [0,1,0,0,0,1|1,0,0]=3 379 B11R1.3 O=C(O)C1=CC=C(NN)C=C1 PI-27393 [0,1,0,0,0,1|2,0,0]=4 380 B11R1.3 O=Cc1ccc(cc1)C(=O)O PI-18766 [0,1,0,0,0,1|1,0,1]=4 381 B11R1.3 OC(=O)c1ccc(cc1)C#N PI-31249 [0,1,0,0,0,1|1,0,1]=4 382 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O PI-48935 [0,1,0,0,0,1|2,0,0]=4 383 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O PI-49467 [0,1,0,0,0,1|2,0,0]=4 384 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O PI-37598 [0,1,0,0,0,1|2,0,0]=4 385 B11R1.19 O=S(C1=CC=C(C)C=C1)(O)=O PI-41319 [0,1,0,0,0,1|2,0,0]=4 386 B11R1.21 C1=C(C(=CC=C1C(=O)O)C)N PI-31125 [0,1,0,0,0,1|1,0,0]=3 387 B11R1.21 C1=C(C(=O)NC=C1C(=O)O)Cl PI-16724 [0,1,0,0,0,1|2,0,0]=4 388 B11R1.21 C1=C(C=NC(=C1Br)F)C(=O)O PI-36514 [0,1,0,0,0,1|2,0,0]=4 389 B11R1.21 C1=C(C=NC(=C1Cl)Cl)C(=O)O PI-16262 [0,1,0,0,0,1|2,0,0]=4 390 B11R1.21 C1=CC(=C(C=C1C(=O)O)Br)O PI-10053 [0,1,0,0,0,1|2,0,0]=4 391 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)F PI-16072 [0,1,0,0,0,1|2,0,0]=4 392 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)N PI-32812 [0,1,0,0,0,1|2,0,0]=4 393 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)O PI-19535 [0,1,0,0,0,1|2,0,0]=4 394 B11R1.21 C1=CC(=C(C=C1C(=O)O)F)Br PI-16062 [0,1,0,0,0,1|2,0,0]=4 395 B11R1.21 C1=CC(=C(C=C1C(=O)O)F)N PI-30637 [0,1,0,0,0,1|2,0,0]=4 396 B11R1.21 C1=CC(=C(C=C1C(=O)O)I)O PI-50668 [0,1,0,0,0,1|2,0,0]=4 397 B11R1.21 C1=CC(=C(C=C1C(=O)O)N)F PI-16994 [0,1,0,0,0,1|2,0,0]=4 398 B11R1.21 C1=CC(=C(C=C1C(=O)O)O)F PI-23589 [0,1,0,0,0,1|2,0,0]=4 399 B11R1.21 C1=CC(=C(C=C1C(=O)O)O)I PI-33357 [0,1,0,0,0,1|2,0,0]=4 400 B11R1.21 C1=CC(=C(C=C1C(=O)O)O)N PI-30353 [0,1,0,0,0,1|2,0,0]=4 401 B11R1.21 CC1=C(C=C(C=C1)C(=O)C)Br PI-30577 [0,1,0,0,0,1|2,0,0]=4 402 B11R1.21 CC1=C(C=C(C=C1)C(=O)C)O PI-10230 [0,1,0,0,0,1|2,0,0]=4 403 B11R1.21 CC1=C(C=C(C=C1)C(=O)Cl)C PI-23822 [0,1,0,0,0,1|2,0,0]=4 404 B11R1.21 CC1=C(C=C(C=C1)C(=O)Cl)F PI-23749 [0,1,0,0,0,1|2,0,0]=4 405 B11R1.21 CC1=C(C=C(C=C1)C(=O)N)C PI-30714 [0,1,0,0,0,1|2,0,0]=4 406 B11R1.21 CC1=C(C=C(C=C1)C(=O)N)F PI-23731 [0,1,0,0,0,1|2,0,0]=4 407 B11R1.21 CC1=C(C=C(C=C1)C(=O)N)N PI-30259 [0,1,0,0,0,1|2,0,0]=4 408 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)C PI-27799 [0,1,0,0,0,1|1,0,0]=3 409 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)F PI-31159 [0,1,0,0,0,1|1,0,0]=3 410 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)I PI-31314 [0,1,0,0,0,1|1,0,0]=3 411 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)O PI-10215 [0,1,0,0,0,1|1,0,0]=3 412 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Br PI-22129 [0,1,0,0,0,1|2,0,0]=4 413 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Cl PI-31518 [0,1,0,0,0,1|2,0,0]=4 414 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)F PI-23746 [0,1,0,0,0,1|2,0,0]=4 415 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)O PI-20807 [0,1,0,0,0,1|2,0,0]=4 416 B11R1.21 CC1=C(C=CC(=N1)C(=O)O)F PI-34875 [0,1,0,0,0,1|2,0,0]=4 417 B11R1.21 CC1=CN=C(C=[N+]1[O-])C(=O)O PI-11485 [0,1,0,0,0,1|1,0,0]=3 418 B11R1.21 ClC(=O)c1ccc(C)c(Br)c1 PI-22136 [0,1,0,0,0,1|2,0,0]=4 419 B11R1.21 OC(=O)C1=CC(I)=C(Br)C=C1 PI-39647 [0,1,0,0,0,1|2,0,0]=4 420 B11R1.21 OC(=O)c1ccc(C)c(Cl)c1 PI-30672 [0,1,0,0,0,1|1,0,0]=3 421 B11R1.21 OC(=O)c1ccc(Cl)c(F)c1 PI-16071 [0,1,0,0,0,1|2,0,0]=4 422 B11R1.21 OC(=O)c1ccc(N)c(C)c1 PI-27395 [0,1,0,0,0,1|2,0,0]=4 423 B11R1.21 OC(=O)c1ccc(O)c(N)c1 PI-10926 [0,1,0,0,0,1|2,0,0]=4 424 B11R1.21 OC(=O)c1ccc(O)c(O)c1 PI-20424 [0,1,0,0,0,1|2,0,0]=4 425 B11R1.21 OC(=O)c1ccc(c(c1)Br)C PI-30921 [0,1,0,0,0,1|1,0,0]=3 426 B11R1.21 OC(=O)c1ccc(c(c1)Br)Cl PI-14390 [0,1,0,0,0,1|2,0,0]=4 427 B11R1.21 OC(=O)c1ccc(c(c1)Br)F PI-16063 [0,1,0,0,0,1|2,0,0]=4 428 B11R1.21 OC(=O)c1ccc(c(c1)F)F PI-10196 [0,1,0,0,0,1|2,0,0]=4 429 B11R1.21 OC(=O)c1ccc(c(c1)F)O PI-23588 [0,1,0,0,0,1|2,0,0]=4 430 B11R1.21 OC(=O)c1ccc(c(c1)N)Cl PI-10214 [0,1,0,0,0,1|2,0,0]=4 431 B11R1.21 OC(=O)c1ccc(c(c1)N)N PI-27800 [0,1,0,0,0,1|2,0,0]=4 432 B11R1.21 OC(=O)c1ccc(c(c1)O)Cl PI-19468 [0,1,0,0,0,1|2,0,0]=4 433 B11R1.21 OC(=O)c1ccc(c(c1)S)N PI-27183 [0,1,0,0,0,1|2,0,0]=4 434 B11R1.21 OC(=O)c1cnc(c(c1)Br)C PI-39237 [0,1,0,0,0,1|1,0,0]=3 435 B11R1.21 OC(=O)c1cnc(c(c1)Br)Cl PI-34711 [0,1,0,0,0,1|2,0,0]=4 436 B11R1.21 OC(=O)c1cnc(c(c1)Br)O PI-35284 [0,1,0,0,0,1|2,0,0]=4 437 B11R1.21 OC(=O)c1cnc(c(c1)I)O PI-39189 [0,1,0,0,0,1|2,0,0]=4 438 B11R1.22 C1=CC(=CC=C1C(=O)CO)Br PI-30487 [0,1,0,0,0,1|2,0,0]=4 439 B11R1.22 C1=CC(=CC=C1C(=O)CO)Cl PI-30418 [0,1,0,0,0,1|2,0,0]=4 440 B11R1.22 C1=CC(=CC=C1C(=O)CO)F PI-30583 [0,1,0,0,0,1|2,0,0]=4 441 B11R1.22 C1=CC(=NC=C1C(OC)=O)Cl PI-16721 [0,1,0,0,0,1|2,0,0]=4 442 B11R1.22 CC1=CC=C(C=C1)C(=NO)N PI-30254 [0,1,0,0,0,1|2,0,0]=4 443 B11R1.22 CC1=CC=C(C=C1)C(=O)CBr PI-27801 [0,1,0,0,0,1|2,0,0]=4 444 B11R1.22 CC1=CC=C(C=C1)C(=O)CN PI-30703 [0,1,0,0,0,1|2,0,0]=4 445 B11R1.22 CC1=CC=C(C=C1)C(=O)NN PI-24359 [0,1,0,0,0,1|2,0,0]=4 446 B11R1.22 CC1=CC=C(C=C1)C(=O)OC PI-50597 [0,1,0,0,0,1|1,0,0]=3 447 B11R1.22 CC1=CN=C(C=N1)C(=O)NN PI-50303 [0,1,0,0,0,1|2,0,0]=4 448 B11R1.22 COC(=O)C1=CC=C(C=C1)Br PI-11276 [0,1,0,0,0,1|2,0,0]=4 449 B11R1.22 COC(=O)C1=CC=C(C=C1)I PI-18765 [0,1,0,0,0,1|2,0,0]=4 450 B11R1.22 COC(=O)C1=CC=C(C=C1)N PI-12227 [0,1,0,0,0,1|2,0,0]=4 451 B11R1.22 COC(=O)C1=CN=C(C=C1)Br PI-48738 [0,1,0,0,0,1|2,0,0]=4 452 B11R1.22 COC(=O)C1=CN=C(C=N1)Cl PI-35905 [0,1,0,0,0,1|2,0,0]=4 453 B11R1.22 COC(=O)C1=CN=C(N=C1)Cl PI-40861 [0,1,0,0,0,1|2,0,0]=4 454 B11R1.22 COC(=O)c1ccc(=O)oc1 PI-27764 [0,1,0,0,0,1|1,1,0]=4 455 B11R1.22 COC(=O)c1ccc(Cl)cc1 PI-30070 [0,1,0,0,0,1|2,0,0]=4 456 B11R1.22 COC(=O)c1ccc(O)cn1 PI-36864 [0,1,0,0,0,1|2,0,0]=4 457 B11R1.22 COC(=O)c1ccc(cn1)Br PI-36861 [0,1,0,0,0,1|2,0,0]=4 458 B11R1.22 COC(=O)c1ccc(nc1)C PI-10340 [0,1,0,0,0,1|1,0,0]=3 459 B11R1.22 COC(=O)c1cnc(C)cn1 PI-25000 [0,1,0,0,0,1|1,0,0]=3 460 B11R1.22 NC1=CC=C(C([O-4][K+2])=O)C=C1 PI-50445 [0,1,0,0,0,1|2,0,0]=4 461 B11R1.22 NNC(=O)c1ccc(C)nc1 PI-24807 [0,1,0,0,0,1|2,0,0]=4 462 B11R1.22 O=C(OC)C1=CC=C(F)C=C1 PI-16967 [0,1,0,0,0,1|2,0,0]=4 463 B11R1.22 O=C(OC)C1=CN=C(N)C=C1 PI-35070 [0,1,0,0,0,1|2,0,0]=4 464 B11R1.166 Brc1ccc(C(=O)O)c(F)c1 PI-16060 [0,1,0,0,0,1|2,0,0]=4 465 B11R1.166 C1=CC(=C(C=C1Br)Cl)C(=O)O PI-28671 [0,1,0,0,0,1|2,0,0]=4 466 B11R1.166 C1=CC(=C(C=C1Br)N)C(=O)O PI-18326 [0,1,0,0,0,1|2,0,0]=4 467 B11R1.166 C1=CC(=C(C=C1Br)O)C(=O)O PI-21374 [0,1,0,0,0,1|2,0,0]=4 468 B11R1.166 C1=CC(=C(C=C1Cl)O)C(=O)O PI-33938 [0,1,0,0,0,1|2,0,0]=4 469 B11R1.166 C1=CC(=C(C=C1F)Br)C(=O)O PI-16061 [0,1,0,0,0,1|2,0,0]=4 470 B11R1.166 C1=CC(=C(C=C1F)Cl)C(=O)O PI-16103 [0,1,0,0,0,1|2,0,0]=4 471 B11R1.166 C1=CC(=C(C=C1F)I)C(=O)O PI-34280 [0,1,0,0,0,1|2,0,0]=4 472 B11R1.166 C1=CC(=C(C=C1N)Cl)C(=O)O PI-10541 [0,1,0,0,0,1|2,0,0]=4 473 B11R1.166 C1=CC(=C(C=C1N)F)C(=O)O PI-27599 [0,1,0,0,0,1|2,0,0]=4 474 B11R1.166 C1=CC(=C(C=C1O)F)C(=O)O PI-28723 [0,1,0,0,0,1|2,0,0]=4 475 B11R1.166 C1=CC(=CC(=C1C(O)=O)Br)Br PI-41212 [0,1,0,0,0,1|2,0,0]=4 476 B11R1.166 CC(=O)C1=C(C)N=C(C)C=N1 PI-11037 [0,1,0,0,0,1|2,0,0]=4 477 B11R1.166 CC1=C(C=CC(=C1)F)C(=O)O PI-10190 [0,1,0,0,0,1|2,0,0]=4 478 B11R1.166 CC1=CC(=C(C=C1)C(=O)C)C PI-11718 [0,1,0,0,0,1|2,0,0]=4 479 B11R1.166 CC1=CC(=C(C=C1)C(=O)N)O PI-28583 [0,1,0,0,0,1|2,0,0]=4 480 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)C PI-16114 [0,1,0,0,0,1|1,0,0]=3 481 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)F PI-18894 [0,1,0,0,0,1|1,0,0]=3 482 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)O PI-15312 [0,1,0,0,0,1|1,0,0]=3 483 B11R1.166 CC1=CC(=O)C(=CN1)C(=O)O PI-13132 [0,1,0,0,0,1|1,0,0]=3 484 B11R1.166 CC1=CC=C(C(=O)N1)C(=O)O PI-18513 [0,1,0,0,0,1|1,0,0]=3 485 B11R1.166 Cc1ccc(C(=O)O)c(Cl)n1 PI-16720 [0,1,0,0,0,1|1,0,0]=3 486 B11R1.166 Cc1ccc(c(c1)Br)C(=O)O PI-22123 [0,1,0,0,0,1|1,0,0]=3 487 B11R1.166 Cc1ccc(c(c1)N)C(=O)N PI-30565 [0,1,0,0,0,1|2,0,0]=4 488 B11R1.166 Cc1ccc(c(c1)N)C(=O)O PI-34285 [0,1,0,0,0,1|1,0,0]=3 489 B11R1.166 Cc1ccc(c(c1)O)C(=O)C PI-29847 [0,1,0,0,0,1|2,0,0]=4 490 B11R1.166 ClC1=C(C(=O)O)C=CC(=N1)Cl PI-31177 [0,1,0,0,0,1|2,0,0]=4 491 B11R1.166 Clc1ccc(C(=O)O)c(F)c1 PI-16109 [0,1,0,0,0,1|2,0,0]=4 492 B11R1.166 Clc1ccc(C(=O)O)c(N)c1 PI-14296 [0,1,0,0,0,1|2,0,0]=4 493 B11R1.166 Clc1ccc(c(c1)Br)C(=O)O PI-20610 [0,1,0,0,0,1|2,0,0]=4 494 B11R1.166 Clc1cnc(c(c1)Cl)C(=O)O PI-16047 [0,1,0,0,0,1|2,0,0]=4 495 B11R1.166 Fc1ccc(C(=O)O)c(F)c1 PI-10195 [0,1,0,0,0,1|2,0,0]=4 496 B11R1.166 Fc1ccc(C(=O)O)c(N)c1 PI-16067 [0,1,0,0,0,1|2,0,0]=4 497 B11R1.166 Fc1ccc(C(=O)O)c(O)c1 PI-34804 [0,1,0,0,0,1|2,0,0]=4 498 B11R1.166 Fc1cnc(c(c1)F)C(=O)O PI-38255 [0,1,0,0,0,1|2,0,0]=4 499 B11R1.166 Ic1ccc(C(=O)O)c(N)c1 PI-35979 [0,1,0,0,0,1|2,0,0]=4 500 B11R1.166 Nc1ccc(c(c1)C)C(=O)O PI-38300 [0,1,0,0,0,1|2,0,0]=4 501 B11R1.166 O=C(O)C1=C(C)N=C(C)C=C1 PI-37311 [0,1,0,0,0,1|1,0,0]=3 502 B11R1.166 O=C(O)C1=CC=C(Br)C=C1I PI-41942 [0,1,0,0,0,1|2,0,0]=4 503 B11R1.166 OC(=O)c1cnc(cc1Cl)Cl PI-38189 [0,1,0,0,0,1|2,0,0]=4 504 B11R1.166 Oc1ccc(C(=O)O)c(Cl)c1 PI-18689 [0,1,0,0,0,1|2,0,0]=4 505 B11R1.39 COC(=O)CC1=CSC(N)=N1 PI-39587 [0,1,0,0,0,1|2,0,0]=4 506 B11R1.645 CC1=C(N=C(S1)C)CC(=O)O PI-21995 [0,1,0,0,0,1|1,0,0]=3 507 B11R1.23 C1=C(C=CC=C1C(OC)=O)O PI-18286 [0,1,0,0,0,1|2,0,0]=4 508 B11R1.23 CC1=CC(=CC=C1)C(=NO)N PI-19541 [0,1,0,0,0,1|2,0,0]=4 509 B11R1.23 CC1=CC(=CC=C1)C(=O)NN PI-24087 [0,1,0,0,0,1|2,0,0]=4 510 B11R1.23 CC1=CC(=CC=C1)C(=O)OC PI-50285 [0,1,0,0,0,1|1,0,0]=3 511 B11R1.23 COC(=O)C1=CC(=CC=C1)Br PI-29779 [0,1,0,0,0,1|2,0,0]=4 512 B11R1.23 COC(=O)C1=CC(=CC=C1)Cl PI-14890 [0,1,0,0,0,1|2,0,0]=4 513 B11R1.23 COC(=O)C1=CC(=CC=C1)F PI-34142 [0,1,0,0,0,1|2,0,0]=4 514 B11R1.23 COC(=O)C1=CC(=NC=C1)Cl PI-35024 [0,1,0,0,0,1|2,0,0]=4 515 B11R1.23 COC(=O)c1cc(Cl)ccn1 PI-34710 [0,1,0,0,0,1|2,0,0]=4 516 B11R1.23 COC(=O)c1cc(I)ccn1 PI-38432 [0,1,0,0,0,1|2,0,0]=4 517 B11R1.23 COC(=O)c1cc[nH]c(=O)c1 PI-38426 [0,1,0,0,0,1|2,0,0]=4 518 B11R1.23 COC(=O)c1cccc(c1)N PI-10944 [0,1,0,0,0,1|2,0,0]=4 519 B11R1.23 COC(=O)c1ccnc(c1)Br PI-39300 [0,1,0,0,0,1|2,0,0]=4 520 B11R1.23 COC(=O)c1ccnc(c1)N PI-27027 [0,1,0,0,0,1|2,0,0]=4 521 B11R1.23 COC(=O)c1cncc(Br)c1 PI-22189 [0,1,0,0,0,1|2,0,0]=4 522 B11R1.23 COC(=O)c1cnnc(c1)Cl PI-38433 [0,1,0,0,0,1|2,0,0]=4 523 B11R1.23 O=C(OC)C1=CC=CC(I)=C1 PI-41906 [0,1,0,0,0,1|2,0,0]=4 524 B11R1.74 C1=C(C=C(C=C1Br)I)C(=O)O PI-21371 [0,1,0,0,0,1|2,0,0]=4 525 B11R1.74 C1=C(C=C(C=C1Cl)Cl)C(=O)O PI-11891 [0,1,0,0,0,1|2,0,0]=4 526 B11R1.74 C1=C(C=C(C=C1F)Br)C(=O)O PI-16064 [0,1,0,0,0,1|2,0,0]=4 527 B11R1.74 C1=C(C=C(C=C1N)N)C(=O)O PI-33050 [0,1,0,0,0,1|2,0,0]=4 528 B11R1.74 C1=C(C=C(C=C1O)Br)C(=O)O PI-47172 [0,1,0,0,0,1|2,0,0]=4 529 B11R1.74 C1=C(C=C(C=C1O)Cl)C(=O)O PI-47171 [0,1,0,0,0,1|2,0,0]=4 530 B11R1.74 C1=C(C=C(N=C1C(=O)O)Cl)Cl PI-50621 [0,1,0,0,0,1|2,0,0]=4 531 B11R1.74 C1=C(C=C(NC1=O)O)C(=O)O PI-41126 [0,1,0,0,0,1|2,0,0]=4 532 B11R1.74 CC1=CC(=CC(=N1)Cl)C(=O)Cl PI-20177 [0,1,0,0,0,1|2,0,0]=4 533 B11R1.74 CC1=CC(=CC(=N1)Cl)C(=O)O PI-49440 [0,1,0,0,0,1|1,0,0]=3 534 B11R1.74 Cc1cc(C)cc(c1)C(=O)C PI-30691 [0,1,0,0,0,1|2,0,0]=4 535 B11R1.74 Cc1cc(C)cc(c1)C(=O)O PI-31207 [0,1,0,0,0,1|1,0,0]=3 536 B11R1.74 Cc1cc(F)cc(c1)C(=O)O PI-34459 [0,1,0,0,0,1|1,0,0]=3 537 B11R1.74 Cc1cc(O)cc(c1)C(=O)O PI-39027 [0,1,0,0,0,1|1,0,0]=3 538 B11R1.74 Clc1cc(Br)cc(c1)C(=O)O PI-35805 [0,1,0,0,0,1|2,0,0]=4 539 B11R1.74 Fc1cc(F)cc(c1)C(=O)O PI-10428 [0,1,0,0,0,1|2,0,0]=4 540 B11R1.74 Ic1cc(I)cc(c1)C(=O)O PI-36327 [0,1,0,0,0,1|2,0,0]=4 541 B11R1.74 OC(=O)c1cc(Br)cc(c1)Br PI-20961 [0,1,0,0,0,1|2,0,0]=4 542 B11R1.74 OC(=O)c1cc(Cl)nc(c1)Cl PI-16190 [0,1,0,0,0,1|2,0,0]=4 543 B11R1.74 Oc1cc(O)cc(c1)C(=O)O PI-33401 [0,1,0,0,0,1|2,0,0]=4 544 B11R1.159 C1=CC(=C(C(=C1)Br)N)C(=O)O PI-27326 [0,1,0,0,0,1|2,0,0]=4 545 B11R1.159 C1=CC(=C(C(=C1)Cl)F)C(=O)O PI-16070 [0,1,0,0,0,1|2,0,0]=4 546 B11R1.159 C1=CC(=C(C(=C1)F)Cl)C(=O)O PI-18055 [0,1,0,0,0,1|2,0,0]=4 547 B11R1.159 C1=CC(=C(C(=C1)F)F)C(=O)O PI-10290 [0,1,0,0,0,1|2,0,0]=4 548 B11R1.159 C1=CC(=C(C(=C1)F)N)C(=O)O PI-10452 [0,1,0,0,0,1|2,0,0]=4 549 B11R1.159 C1=CC(=C(C(=C1)N)F)C(=O)O PI-34457 [0,1,0,0,0,1|2,0,0]=4 550 B11R1.159 C1=CC(=C(C(=C1)N)N)C(=O)O PI-39985 [0,1,0,0,0,1|2,0,0]=4 551 B11R1.159 C1=CC(=C(C(=C1)N)O)C(=O)O PI-14096 [0,1,0,0,0,1|2,0,0]=4 552 B11R1.159 C1=CC(=C(C(=C1)O)O)C(=O)O PI-16110 [0,1,0,0,0,1|2,0,0]=4 553 B11R1.159 CC1=C(C(=CC=C1)C(=O)C)C PI-30311 [0,1,0,0,0,1|2,0,0]=4 554 B11R1.159 CC1=C(C(=CC=C1)C(=O)Cl)C PI-21939 [0,1,0,0,0,1|2,0,0]=4 555 B11R1.159 CC1=C(C(=CC=C1)C(=O)O)C PI-27770 [0,1,0,0,0,1|1,0,0]=3 556 B11R1.159 CC1=C(C(=CC=C1)C(=O)O)Cl PI-31520 [0,1,0,0,0,1|1,0,0]=3 557 B11R1.159 CC1=C(C(=CC=C1)C(=O)O)F PI-10191 [0,1,0,0,0,1|1,0,0]=3 558 B11R1.159 CC1=C(C(=CC=C1)C(=O)O)N PI-10074 [0,1,0,0,0,1|1,0,0]=3 559 B11R1.159 CC1=C(C=CC=C1Br)C(=O)O PI-22125 [0,1,0,0,0,1|2,0,0]=4 560 B11R1.159 CC1=C(C=CC=C1O)C(=O)O PI-11926 [0,1,0,0,0,1|2,0,0]=4 561 B11R1.159 CC1=C(N=CN=C1Cl)C(=O)O PI-36441 [0,1,0,0,0,1|2,0,0]=4 562 B11R1.159 ClC1=NC=CC(=C1F)C(=O)O PI-34444 [0,1,0,0,0,1|2,0,0]=4 563 B11R1.159 O=C(N)C1=CC=CC(C)=C1C PI-30715 [0,1,0,0,0,1|2,0,0]=4 564 B11R1.159 O=C(O)C1=CC=CC(N)=C1C PI-16107 [0,1,0,0,0,1|2,0,0]=4 565 B11R1.159 O=C(O)C1=CC=NC(Br)=C1F PI-39723 [0,1,0,0,0,1|2,0,0]=4 566 B11R1.159 OC(=O)c1cccc(C)c1Br PI-22122 [0,1,0,0,0,1|1,0,0]=3 567 B11R1.159 OC(=O)c1cccc(Cl)c1N PI-10209 [0,1,0,0,0,1|2,0,0]=4 568 B11R1.159 OC(=O)c1cccc(F)c1C PI-10192 [0,1,0,0,0,1|2,0,0]=4 569 B11R1.159 OC(=O)c1cccc(I)c1N PI-35980 [0,1,0,0,0,1|2,0,0]=4 570 B11R1.159 OC(=O)c1cccc(O)c1N PI-30706 [0,1,0,0,0,1|2,0,0]=4 571 B11R1.159 OC(=O)c1cccc(c1Br)F PI-10189 [0,1,0,0,0,1|2,0,0]=4 572 B11R1.159 OC(=O)c1cccc(c1F)Br PI-10188 [0,1,0,0,0,1|2,0,0]=4 573 B11R1.159 OC(=O)c1cccc(c1O)F PI-23590 [0,1,0,0,0,1|2,0,0]=4 574 B11R1.159 OC(=O)c1ccnc(c1N)Cl PI-38953 [0,1,0,0,0,1|2,0,0]=4 575 B11R1.167 Brc1ccc(I)c(c1)C(=O)O PI-21527 [0,1,0,0,0,1|2,0,0]=4 576 B11R1.167 Brc1ccc(c(c1)C(=O)O)Br PI-27786 [0,1,0,0,0,1|2,0,0]=4 577 B11R1.167 Brc1ccc(c(c1)C(=O)O)Cl PI-28277 [0,1,0,0,0,1|2,0,0]=4 578 B11R1.167 Brc1ccc(c(c1)C(=O)O)F PI-16059 [0,1,0,0,0,1|2,0,0]=4 579 B11R1.167 Brc1cnc(N)c(c1)C(=O)O PI-22190 [0,1,0,0,0,1|2,0,0]=4 580 B11R1.167 C1=C(C(=NN=C1Cl)Cl)C(=O)O PI-41119 [0,1,0,0,0,1|2,0,0]=4 581 B11R1.167 C1=C(C(=O)NC=C1Br)C(=O)O PI-12916 [0,1,0,0,0,1|2,0,0]=4 582 B11R1.167 C1=C(C(=O)NC=C1Cl)C(=O)O PI-30553 [0,1,0,0,0,1|2,0,0]=4 583 B11R1.167 C1=C(C=NC(=C1C(=O)O)Cl)Br PI-24300 [0,1,0,0,0,1|2,0,0]=4 584 B11R1.167 C1=CC(=C(C=C1Br)C(=O)O)N PI-16097 [0,1,0,0,0,1|2,0,0]=4 585 B11R1.167 C1=CC(=C(C=C1Br)C(=O)O)S PI-44100 [0,1,0,0,0,1|2,0,0]=4 586 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)Br PI-20611 [0,1,0,0,0,1|2,0,0]=4 587 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)Cl PI-16113 [0,1,0,0,0,1|2,0,0]=4 588 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)F PI-28487 [0,1,0,0,0,1|2,0,0]=4 589 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)O PI-33939 [0,1,0,0,0,1|2,0,0]=4 590 B11R1.167 C1=CC(=C(C=C1F)C(=O)O)Br PI-16102 [0,1,0,0,0,1|2,0,0]=4 591 B11R1.167 C1=CC(=C(C=C1F)C(=O)O)O PI-28413 [0,1,0,0,0,1|2,0,0]=4 592 B11R1.167 C1=CC(=C(C=C1I)C(=O)O)Cl PI-44655 [0,1,0,0,0,1|2,0,0]=4 593 B11R1.167 C1=CC(=C(C=C1I)C(=O)O)F PI-18130 [0,1,0,0,0,1|2,0,0]=4 594 B11R1.167 C1=CC(=C(C=C1N)C(=O)O)F PI-16066 [0,1,0,0,0,1|2,0,0]=4 595 B11R1.167 C1=CC(=C(C=C1N)C(=O)O)O PI-33946 [0,1,0,0,0,1|2,0,0]=4 596 B11R1.167 CC1=C(C=C(C=C1)Br)C(=O)O PI-31513 [0,1,0,0,0,1|2,0,0]=4 597 B11R1.167 CC1=C(C=C(C=C1)I)C(=O)O PI-35497 [0,1,0,0,0,1|2,0,0]=4 598 B11R1.167 CC1=CC(=C(C=C1)Br)C(=O)O PI-22124 [0,1,0,0,0,1|1,0,0]=3 599 B11R1.167 CC1=CC(=C(C=C1)C)C(=O)C PI-23365 [0,1,0,0,0,1|2,0,0]=4 600 B11R1.167 CC1=CC(=C(C=C1)C)C(=O)O PI-16116 [0,1,0,0,0,1|1,0,0]=3 601 B11R1.167 CC1=CC(=C(C=C1)Cl)C(=O)O PI-44945 [0,1,0,0,0,1|1,0,0]=3 602 B11R1.167 CC1=CC(=C(C=C1)F)C(=O)C PI-30627 [0,1,0,0,0,1|2,0,0]=4 603 B11R1.167 CC1=CC(=C(C=C1)F)C(=O)O PI-10194 [0,1,0,0,0,1|1,0,0]=3 604 B11R1.167 CC1=CC(=C(C=C1)I)C(=O)O PI-44708 [0,1,0,0,0,1|1,0,0]=3 605 B11R1.167 CC1=CC(=C(C=C1)N)C(=O)N PI-11516 [0,1,0,0,0,1|2,0,0]=4 606 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)C PI-16152 [0,1,0,0,0,1|2,0,0]=4 607 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)N PI-32434 [0,1,0,0,0,1|2,0,0]=4 608 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)O PI-12037 [0,1,0,0,0,1|1,0,0]=3 609 B11R1.167 Cc1ccc(c(c1)C(=O)O)I PI-44956 [0,1,0,0,0,1|1,0,0]=3 610 B11R1.167 Cc1ccc(c(c1)C(=O)O)N PI-11791 [0,1,0,0,0,1|1,0,0]=3 611 B11R1.167 Clc1ncc(c(c1)C(=O)O)Br PI-36973 [0,1,0,0,0,1|2,0,0]=4 612 B11R1.167 Clc1ncc(c(c1)C(=O)O)Cl PI-38193 [0,1,0,0,0,1|2,0,0]=4 613 B11R1.167 Fc1ccc(F)c(c1)C(=O)O PI-16919 [0,1,0,0,0,1|2,0,0]=4 614 B11R1.167 Fc1ccc(I)c(c1)C(=O)O PI-34282 [0,1,0,0,0,1|2,0,0]=4 615 B11R1.167 Fc1ccc(c(c1)C(=O)O)C PI-16069 [0,1,0,0,0,1|2,0,0]=4 616 B11R1.167 Fc1ccc(c(c1)C(=O)O)N PI-16065 [0,1,0,0,0,1|2,0,0]=4 617 B11R1.167 Fc1ncc(c(c1)C(=O)O)N PI-32204 [0,1,0,0,0,1|2,0,0]=4 618 B11R1.167 Ic1ccc(N)c(c1)C(=O)O PI-16099 [0,1,0,0,0,1|2,0,0]=4 619 B11R1.167 Ic1ccc(c(c1)C(=O)O)Br PI-21526 [0,1,0,0,0,1|2,0,0]=4 620 B11R1.167 NC1=CC(C(O)=O)=C(N)C=C1 PI-31741 [0,1,0,0,0,1|2,0,0]=4 621 B11R1.167 Nc1ccc(O)cc1C(O)=O PI-10210 [0,1,0,0,0,1|2,0,0]=4 622 B11R1.167 Nc1ccc(c(c1)C(=O)O)Br PI-33365 [0,1,0,0,0,1|2,0,0]=4 623 B11R1.167 Nc1ccc(c(c1)C(=O)O)Cl PI-27966 [0,1,0,0,0,1|2,0,0]=4 624 B11R1.167 O=C(O)C1=CC(F)=CC=C1Cl PI-16104 [0,1,0,0,0,1|2,0,0]=4 625 B11R1.167 Oc1ccc(c(c1)C(=O)O)F PI-23587 [0,1,0,0,0,1|2,0,0]=4 626 B11R1.167 Oc1ccc(c(c1)C(=O)O)O PI-12845 [0,1,0,0,0,1|2,0,0]=4 627 B11R1.266 C1=CC(=CC(=C1)C(=O)Cl)CCl PI-35901 [0,1,0,0,0,1|2,0,0]=4 628 B11R1.266 C1=CC(=CC(=C1)C(=O)O)C#N PI-16124 [0,1,0,0,0,1|1,0,1]=4 629 B11R1.266 C1=CC(=CC(=C1)C(=O)O)CCl PI-27471 [0,1,0,0,0,1|1,0,0]=3 630 B11R1.266 C1=CC(=CC(=C1)C(=O)O)CN PI-30963 [0,1,0,0,0,1|1,0,0]=3 631 B11R1.266 C1=CC(=CC(=C1)C(=O)O)CN PI-33743 [0,1,0,0,0,1|1,0,0]=3 632 B11R1.266 CC(=O)C1=CC(=CC=C1)OC PI-44646 [0,1,0,0,0,1|2,0,0]=4 633 B11R1.266 CC(=O)C1=CC=CC(=C1)CCl PI-16155 [0,1,0,0,0,1|2,0,0]=4 634 B11R1.266 CCC1=CC(=CC=C1)C(=O)C PI-22041 [0,1,0,0,0,1|2,0,0]=4 635 B11R1.266 COC1=CC(=NC=C1)C(=O)N PI-26971 [0,1,0,0,0,1|2,0,0]=4 636 B11R1.266 COC1=CC(=NC=C1)C(=O)O PI-26085 [0,1,0,0,0,1|1,0,0]=3 637 B11R1.266 COC1=CC=CC(=C1)C(=O)Cl PI-50560 [0,1,0,0,0,1|2,0,0]=4 638 B11R1.266 COC1=CC=CC(=C1)C(=O)O PI-33400 [0,1,0,0,0,1|1,0,0]=3 639 B11R1.266 COC1=CC=CC(=N1)C(=O)O PI-28329 [0,1,0,0,0,1|2,0,0]=4 640 B11R1.266 COC1=CN=CC(=C1)C(=O)O PI-39997 [0,1,0,0,0,1|1,0,0]=3 641 B11R1.266 COC1=NC=CC(=C1)C(=O)O PI-28037 [0,1,0,0,0,1|1,0,0]=3 642 B11R1.266 COc1cccc(c1)C(=O)N PI-30738 [0,1,0,0,0,1|2,0,0]=4 643 B11R1.266 COc1ccnc(c1)C(=O)O PI-26532 [0,1,0,0,0,1|1,0,0]=3 644 B11R1.266 CSc1nccc(n1)C(=O)O PI-36376 [0,1,0,0,0,1|2,0,0]=4 645 B11R1.266 NCc1cccc(c1)C(=O)N PI-38245 [0,1,0,0,0,1|2,0,0]=4 646 B11R1.266 O=Cc1cccc(c1)C(=O)O PI-31248 [0,1,0,0,0,1|1,0,1]=4 647 B11R1.266 OCC1=CC=CC(=C1)C(O)=O PI-42488 [0,1,0,0,0,1|1,0,0]=3 648 B11R1.15 C1=C(C(OCC)=O)N=C(S1)Br PI-22058 [0,2,0,0,0,0|2,0,0]=4 649 B11R1.15 CCOC(=O)C1=CSC(=C1)Br PI-35048 [0,2,0,0,0,0|1,0,0]=3 650 B11R1.15 CCOC(=O)C1=CSC(=N1)C PI-29820 [0,2,0,0,0,0|1,0,0]=3 651 B11R1.15 CCOC(=O)C1=NOC(=C1)C PI-29478 [0,2,0,0,0,0|1,1,0]=4 652 B11R1.15 CCOC(=O)c1csc(n1)N PI-11141 [0,2,0,0,0,0|2,0,0]=4 653 B11R1.15 CCOC(=O)c1csc(n1)N PI-36790 [0,2,0,0,0,0|2,0,0]=4 654 B11R1.44 COC(=O)c1ccc(o1)CCl PI-17913 [0,2,0,0,0,0|2,0,0]=4 655 B11R1.44 COC(=O)c1csc(c1)C=O PI-10166 [0,2,0,0,0,0|0,0,1]=3 656 B11R1.44 O=C(C1=COC(CBr)=N1)OC PI-37118 [0,2,0,0,0,0|1,1,0]=4 657 B11R1.225 CC1=CC(=C(N1)C)C(=O)OC PI-30859 [0,2,0,0,0,0|1,0,0]=3 658 B11R1.225 COC(=O)C1=C(SC(=C1)Cl)Cl PI-26139 [0,2,0,0,0,0|1,0,0]=3 659 B11R1.225 COC(=O)C1=C(SC(=N1)N)Br PI-25876 [0,2,0,0,0,0|2,0,0]=4 660 B11R1.225 O=C(C1=C(Br)SC(Br)=C1)OC PI-46783 [0,2,0,0,0,0|1,0,0]=3 661 B11R1.865 CC1=CSC(=C1Cl)C(=O)OC PI-26211 [0,2,0,0,0,0|2,0,0]=4 662 B11R1.865 CC1=CSC(=C1N)C(=O)OC PI-15244 [0,2,0,0,0,0|2,0,0]=4 663 B11R1.124 CCCC1=NC=C(S1)C(=O)O PI-36608 [0,2,0,0,0,0|2,0,0]=4 664 B11R1.124 CCOC1=CC=C(O1)C(=O)O PI-19066 [0,2,0,0,0,0|2,0,0]=4 665 B11R1.175 CC(=O)C1=CSC(=C1)[N+](=O)[O-] PI-14047 [0,2,0,0,0,0|2,0,0]=4 666 B11R1.175 CC(=O)c1ccc(s1)C(=O)O PI-29576 [0,2,0,0,0,0|2,0,0]=4 667 B11R1.175 CC(n1ncc(c1)C(=O)O)C PI-39167 [0,2,0,0,0,0|2,0,0]=4 668 B11R1.175 [O-][N+](=O)c1scc(c1)C(=O)O PI-30584 [0,2,0,0,0,0|1,0,0]=3 669 B11R1.672 OC(=O)c1nn(C)c(C)c1Br PI-21399 [0,2,0,0,0,0|2,0,0]=4 670 B11R1.49 CCN1C(=CC(=N1)C)C(=O)O PI-29644 [0,2,0,0,0,0|2,0,0]=4 671 B11R1.673 CC1=NN(C(=C1Br)C(=O)O)C PI-21400 [0,2,0,0,0,0|2,0,0]=4 672 B11R1.64 COC1=C(SC=C1C(=O)Cl)Cl PI-20147 [0,2,0,0,0,0|2,0,0]=4 673 B11R1.64 COC1=C(SC=C1C(=O)O)Br PI-29176 [0,2,0,0,0,0|1,0,0]=3 674 B11R1.64 COC1=C(SC=C1C(=O)O)Cl PI-29118 [0,2,0,0,0,0|1,0,0]=3 675 B9R1.6 C1=C(C=NC=N1)C(=O)O PI-21348 [0,0,1,1,0,0|2,0,0]=4 676 B9R1.6 OC(=O)c1cccnc1 PI-15824 [0,0,1,1,0,0|1,0,1]=4 677 B9R1.2 Brc1cc(C=O)ncc1 PI-38308 [1,0,0,0,0,1|2,0,0]=4 678 B9R1.2 C1=CC(=CC(=C1)I)C=O PI-27854 [1,0,0,0,0,1|2,0,0]=4 679 B9R1.2 C1=CC(=CC(=C1)N)C=O PI-27126 [1,0,0,0,0,1|2,0,0]=4 680 B9R1.2 C=Cc1cccc(c1)C PI-40767 [1,0,0,0,0,1|2,0,0]=4 681 B9R1.2 CC1=CC(=CC=C1)C=O PI-11938 [1,0,0,0,0,1|1,0,0]=3 682 B9R1.2 CC1=CC(=CN=C1)C=O PI-43924 [1,0,0,0,0,1|1,0,0]=3 683 B9R1.2 CC1=NC(=CC=C1)C=O PI-16691 [1,0,0,0,0,1|2,0,0]=4 684 B9R1.2 Clc1cc(C=O)ncc1 PI-39303 [1,0,0,0,0,1|2,0,0]=4 685 B9R1.2 O=Cc1cccc(c1)Br PI-34503 [1,0,0,0,0,1|2,0,0]=4 686 B9R1.2 O=Cc1cccc(c1)Cl PI-27742 [1,0,0,0,0,1|2,0,0]=4 687 B9R1.2 O=Cc1cccc(c1)F PI-11925 [1,0,0,0,0,1|2,0,0]=4 688 B9R1.2 O=Cc1cccc(c1)N PI-11906 [1,0,0,0,0,1|2,0,0]=4 689 B9R1.2 O=Cc1cccc(c1)O PI-34273 [1,0,0,0,0,1|2,0,0]=4 690 B9R1.2 O=Cc1ccnc(C)n1 PI-33598 [1,0,0,0,0,1|2,0,0]=4 691 B9R1.2 O=Cc1ccnc(c1)Br PI-27099 [1,0,0,0,0,1|2,0,0]=4 692 B9R1.2 O=Cc1ccnc(c1)Cl PI-31791 [1,0,0,0,0,1|2,0,0]=4 693 B9R1.2 OCC1=CC(C)=NC=C1 PI-36994 [1,0,0,0,0,1|1,0,1]=4 694 B9R1.2 OCc1cccc(c1)C PI-38620 [1,0,0,0,0,1|1,0,1]=4 695 B9R1.13 C1=CN(C=N1)CC(=O)O PI-10326 [1,0,0,0,0,1|2,0,0]=4 696 B9R1.13 C1=CN(C=N1)CC(=O)O PI-11655 [1,0,0,0,0,1|2,0,0]=4 697 B9R1.13 C1=COC=C1CC(=O)O PI-36295 [1,0,0,0,0,1|0,1,0]=3 698 B9R1.13 OC(=O)CC1=CC=C[CH-]1 PI-40764 [1,0,0,0,0,1|1,0,1]=4 699 B9R1.13 OC(=O)Cc1c[nH]cn1 PI-21909 [1,0,0,0,0,1|2,0,0]=4 700 B9R1.13 OC(=O)Cc1cccs1 PI-11148 [1,0,0,0,0,1|2,0,0]=4 701 B9R1.13 OC(=O)Cc1cscc1 PI-15240 [1,0,0,0,0,1|0,0,0]=2 702 B11R1.20 C1=CC(=CC=C1CC(=O)O)Br PI-12711 [0,0,0,0,0,2|2,0,0]=4 703 B11R1.20 C1=CC(=CC=C1CC(=O)O)Cl PI-32618 [0,0,0,0,0,2|2,0,0]=4 704 B11R1.20 C1=CC(=CC=C1CC(=O)O)N PI-25083 [0,0,0,0,0,2|2,0,0]=4 705 B11R1.20 C1=CC(=NC=C1CC(=O)O)Cl PI-32201 [0,0,0,0,0,2|2,0,0]=4 706 B11R1.20 CC1=CC=C(C=C1)CC(=O)O PI-30795 [0,0,0,0,0,2|1,0,0]=3 707 B11R1.20 CC1=CC=C(C=C1)NC(=O)N PI-24527 [0,0,0,0,0,2|2,0,0]=4 708 B11R1.20 CC1=CN=C(C=C1)CC(=O)O PI-48028 [0,0,0,0,0,2|1,0,0]=3 709 B11R1.20 ClC(=O)Cc1ccc(C)cc1 PI-24891 [0,0,0,0,0,2|2,0,0]=4 710 B11R1.20 OC(=O)Cc1ccc(F)cc1 PI-16969 [0,0,0,0,0,2|2,0,0]=4 711 B11R1.20 OC(=O)Cc1ccc(I)cc1 PI-30230 [0,0,0,0,0,2|2,0,0]=4 712 B11R1.20 OC(=O)Cc1ccc(O)cc1 PI-11992 [0,0,0,0,0,2|2,0,0]=4 713 B11R1.20 OC(=O)Cc1ccc(S)cc1 PI-30560 [0,0,0,0,0,2|2,0,0]=4 714 B11R1.157 C1=CC(=CC(=C1)Br)CC(=O)O PI-22281 [0,0,0,0,0,2|2,0,0]=4 715 B11R1.157 C1=CC(=CC(=C1)Cl)CC(=O)O PI-16021 [0,0,0,0,0,2|2,0,0]=4 716 B11R1.157 C1=CC(=CC(=C1)I)CC(=O)O PI-30249 [0,0,0,0,0,2|2,0,0]=4 717 B11R1.157 OC(=O)Cc1cccc(c1)F PI-16930 [0,0,0,0,0,2|2,0,0]=4 718 B11R1.157 OC(=O)Cc1cccc(c1)N PI-31063 [0,0,0,0,0,2|2,0,0]=4 719 B11R1.157 OC(=O)Cc1cccc(c1)O PI-11931 [0,0,0,0,0,2|2,0,0]=4