0 B9R1.41 C1=C(C(=CS1)Br)C(=O)O PI-29187 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.41 C1=CSC(=C1Br)C(=O)Cl PI-29405 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.41 C1=CSC(=C1Br)C(=O)O PI-22617 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.41 C1=CSC(=C1Cl)C(=O)Cl PI-20245 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.41 C1=CSC(=C1Cl)C(=O)N PI-29148 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.41 C1=CSC(=C1Cl)C(=O)O PI-10801 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.41 CC(=O)C1=C(C=CS1)N PI-26559 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.41 CC(=O)C1=CC=CN1C PI-12067 [0,0,0,0,0,0|0,0,0]=0 8 B9R1.41 CC1=C(C=CO1)C(=O)Cl PI-19717 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.41 CC1=C(C=NO1)C(=O)Cl PI-42959 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.41 CC1=C(C=NO1)C(=O)O PI-10238 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.41 CC1=C(OC=C1)C(=O)O PI-17475 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.41 CC1=C(SC=C1)C(=O)C PI-35069 [0,0,0,0,0,0|2,0,0]=2 13 B9R1.41 CC1=C(SC=C1)C(=O)Cl PI-11936 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.41 CC1=C(SC=C1)C(=O)N PI-29912 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.41 CC1=C(SC=C1)C(=O)O PI-11161 [0,0,0,0,0,0|3,0,0]=3 16 B9R1.41 CC1=C(SC=N1)C(=O)O PI-11138 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.41 CN1C=CN=C1C(=O)O PI-45034 [0,0,0,0,0,0|2,0,0]=2 18 B9R1.41 Cn1cncc1C(=O)O PI-35821 [0,0,0,0,0,0|2,0,0]=2 19 B9R1.41 NC(=O)c1sccc1N PI-14136 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.41 O=C(C1=C(Br)SC=C1)O PI-41655 [0,0,0,0,0,0|4,0,0]=4 21 B9R1.41 O=C(C1=C(N)SC=C1)N PI-37067 [0,0,0,0,0,0|4,0,0]=4 22 B9R1.41 OC(=O)c1occc1Br PI-39205 [0,0,0,0,0,0|4,0,0]=4 23 B9R1.41 OC(=O)c1sccc1O PI-36902 [0,0,0,0,0,0|4,0,0]=4 24 B8R1.7 C1=C(NC=N1)C(=O)O PI-31349 [1,0,0,0,0,0|2,0,0]=3 25 B8R1.7 C1=C(NC=N1)[N+](=O)[O-] PI-31145 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.7 C1=C(ON=C1)C(=O)Cl PI-29789 [1,0,0,0,0,0|3,0,0]=4 27 B8R1.7 C1=C(SC=N1)C(=O)O PI-25160 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.7 C1=CN=C(N1)C(=O)O PI-40003 [1,0,0,0,0,0|2,0,0]=3 29 B8R1.7 C1=CNC=C1C(=O)O PI-34087 [1,0,0,0,0,0|3,0,0]=4 30 B8R1.7 C1=CNC=C1C(=O)O PI-48299 [1,0,0,0,0,0|3,0,0]=4 31 B8R1.7 C1=COC(=C1)C(=O)N PI-17349 [1,0,0,0,0,0|2,0,0]=3 32 B8R1.7 C1=COC=C1C(=O)Cl PI-46981 [1,0,0,0,0,0|3,0,0]=4 33 B8R1.7 C1=COC=C1C(=O)O PI-16502 [1,0,0,0,0,0|3,0,0]=4 34 B8R1.7 C1=CON=C1C(=O)O PI-48871 [1,0,0,0,0,0|2,0,1]=4 35 B8R1.7 C1=CSC(=C1)C(=N)N PI-29689 [1,0,0,0,0,0|3,0,0]=4 36 B8R1.7 C1=CSC(=C1)C(=O)N PI-50586 [1,0,0,0,0,0|2,0,0]=3 37 B8R1.7 C1=CSC(=C1)C(=O)[O-] PI-11153 [1,0,0,0,0,0|2,0,0]=3 38 B8R1.7 C1=CSC(=C1)[N+](=O)[O-] PI-10995 [1,0,0,0,0,0|3,0,0]=4 39 B8R1.7 C1=CSC(=N1)C(C)=O PI-11117 [1,0,0,0,0,0|1,0,1]=3 40 B8R1.7 CC(=O)C1=CC=CN1 PI-12083 [1,0,0,0,0,0|0,0,0]=1 41 B8R1.7 CC(=O)C1=CC=NN1 PI-44747 [1,0,0,0,0,0|1,0,0]=2 42 B8R1.7 CC(=O)C1=CN=CN1 PI-45218 [1,0,0,0,0,0|1,0,0]=2 43 B8R1.7 CC(=O)C1=CN=CN1 PI-45286 [1,0,0,0,0,0|1,0,0]=2 44 B8R1.7 CC(=O)c1cscc1 PI-16499 [1,0,0,0,0,0|2,0,0]=3 45 B8R1.7 CC(=O)n1cncc1 PI-31807 [1,0,0,0,0,0|3,0,0]=4 46 B8R1.7 CC(C)C1=NC=CN1 PI-31819 [1,0,0,0,0,0|2,0,1]=4 47 B8R1.7 CC(C1=CC=CS1)O PI-12508 [1,0,0,0,0,0|1,0,2]=4 48 B8R1.7 CC(C1=CC=C[CH-]1)O PI-44457 [1,0,0,0,0,0|1,0,2]=4 49 B8R1.7 CC(C1=NC=CN1)=O PI-39737 [1,0,0,0,0,0|1,0,0]=2 50 B8R1.7 CC(N)C1=CC=CS1 PI-40007 [1,0,0,0,0,0|2,0,1]=4 51 B8R1.7 C[C@@H](O)c1cccs1 PI-12507 [1,0,0,0,0,0|1,0,2]=4 52 B8R1.7 ClC(=O)c1cscc1 PI-10762 [1,0,0,0,0,0|3,0,0]=4 53 B8R1.7 NC(=O)c1ncn[nH]1 PI-10146 [1,0,0,0,0,0|3,0,0]=4 54 B8R1.7 NC(=S)c1ccco1 PI-19230 [1,0,0,0,0,0|2,1,0]=4 55 B8R1.7 NC(=S)c1cccs1 PI-39110 [1,0,0,0,0,0|2,1,0]=4 56 B8R1.7 OC(=O)[C@H]1NCC=C1 PI-38250 [1,0,0,0,0,0|1,0,2]=4 57 B8R1.7 OC(=O)c1cc[nH]n1 PI-34779 [1,0,0,0,0,0|2,0,1]=4 58 B8R1.7 OC(=O)c1ccc[nH]1 PI-27813 [1,0,0,0,0,0|1,0,0]=2 59 B8R1.7 OC(=O)c1cccs1 PI-38239 [1,0,0,0,0,0|2,0,0]=3 60 B8R1.7 OC(=O)c1ccno1 PI-29335 [1,0,0,0,0,0|3,0,0]=4 61 B8R1.7 OC(=O)c1cocn1 PI-43182 [1,0,0,0,0,0|2,0,1]=4 62 B8R1.7 OC(=O)c1cscc1 PI-10764 [1,0,0,0,0,0|3,0,0]=4 63 B8R1.7 OC(=O)c1cscn1 PI-28011 [1,0,0,0,0,0|2,0,1]=4 64 B8R1.7 OC(=O)n1scc[nH]1 PI-29827 [1,0,0,0,0,0|3,0,0]=4 65 B8R1.7 [O-][N+](=O)c1ncc[nH]1 PI-10202 [1,0,0,0,0,0|3,0,0]=4 66 B8R1.11 Brc1cscc1C=O PI-36834 [1,0,0,0,0,0|3,0,0]=4 67 B8R1.11 C1=CSC(=C1Br)C=O PI-22616 [1,0,0,0,0,0|3,0,0]=4 68 B8R1.11 C1=CSC(=C1Cl)C=O PI-42060 [1,0,0,0,0,0|3,0,0]=4 69 B8R1.11 CC1=C(C=CO1)SC PI-14230 [1,0,0,0,0,0|3,0,0]=4 70 B8R1.11 CC1=C(N=CN1)C=O PI-45102 [1,0,0,0,0,0|3,0,0]=4 71 B8R1.11 CC1=C(SC=C1)C=O PI-10802 [1,0,0,0,0,0|2,0,0]=3 72 B8R1.11 CCC1=CC=CN1N PI-40301 [1,0,0,0,0,0|1,0,1]=3 73 B8R1.11 CN1C=CC=C1C=O PI-33707 [1,0,0,0,0,0|0,0,0]=1 74 B8R1.11 CN1C=CN=C1CO PI-33166 [1,0,0,0,0,0|1,0,2]=4 75 B8R1.11 CN1C=NC=C1C=O PI-25534 [1,0,0,0,0,0|1,0,0]=2 76 B8R1.11 CN1N=CC=C1CC PI-39594 [1,0,0,0,0,0|1,0,1]=3 77 B8R1.11 Cc1ncsc1C=O PI-11136 [1,0,0,0,0,0|3,0,0]=4 78 B8R1.11 N#Cc1cccn1C PI-34307 [1,0,0,0,0,0|1,0,1]=3 79 B8R1.11 NCC1=CC=NN1C PI-40532 [1,0,0,0,0,0|2,0,1]=4 80 B8R1.11 NCc1nccn1C PI-38209 [1,0,0,0,0,0|2,0,1]=4 81 B8R1.11 O=Cc1nccn1C PI-16496 [1,0,0,0,0,0|1,0,0]=2 82 B10R1.39 CCN1C=CC=C1C(=O)C PI-12064 [0,1,0,0,0,0|0,0,0]=1 83 B10R1.39 COC1=CSC=C1C(=O)N PI-29830 [0,1,0,0,0,0|3,0,0]=4 84 B10R1.39 COC1=CSC=C1C(=O)O PI-29870 [0,1,0,0,0,0|3,0,0]=4 85 B10R1.39 CSC1=C(C=CS1)C(=O)O PI-29871 [0,1,0,0,0,0|3,0,0]=4 86 B10R1.59 CC1=C(OC(=C1)Br)C(=O)O PI-49746 [0,1,0,0,0,0|3,0,0]=4 87 B10R1.59 CC1=C(SC(=N1)N)C(=O)C PI-26047 [0,1,0,0,0,0|3,0,0]=4 88 B10R1.59 CC1=CC(=C(N1)C(=O)O)C PI-31903 [0,1,0,0,0,0|3,0,0]=4 89 B10R1.59 CC1=CC(=C(N1)C)C(=O)O PI-29708 [0,1,0,0,0,0|3,0,0]=4 90 B10R1.59 CC1=CC(=C(O1)C)C(=O)C PI-26051 [0,1,0,0,0,0|2,0,0]=3 91 B10R1.59 CC1=CC(=C(O1)C)C(=O)Cl PI-23851 [0,1,0,0,0,0|3,0,0]=4 92 B10R1.59 CC1=NN(C(=C1)C(=O)Cl)C PI-21981 [0,1,0,0,0,0|2,0,0]=3 93 B10R1.59 CC1=NN(C(=C1)C(=O)N)C PI-21983 [0,1,0,0,0,0|2,0,0]=3 94 B10R1.59 CC1=NN(C(=C1)C(=O)O)C PI-21984 [0,1,0,0,0,0|2,0,0]=3 95 B10R1.59 Cc1nc(c(s1)C(=O)C)C PI-11114 [0,1,0,0,0,0|3,0,0]=4 96 B10R1.59 Cc1sc(c(c1)C(=O)O)C PI-29415 [0,1,0,0,0,0|3,0,0]=4 97 B10R1.59 Clc1sc(Cl)c(c1)C(=O)C PI-21085 [0,1,0,0,0,0|3,0,0]=4 98 B10R1.149 CC1=C(OC=C1)C(=O)OC PI-30773 [0,1,0,0,0,0|2,0,0]=3 99 B10R1.149 CC1=C(SC=C1)C(=O)OC PI-29927 [0,1,0,0,0,0|2,0,0]=3 100 B10R1.149 CC1=C(SC=N1)C(=O)OC PI-11143 [0,1,0,0,0,0|3,0,0]=4 101 B10R1.149 CN1C=CC=C1C(=O)OC PI-31682 [0,1,0,0,0,0|0,0,0]=1 102 B10R1.149 CN1C=CN=C1C(=O)OC PI-45283 [0,1,0,0,0,0|1,0,0]=2 103 B10R1.149 COC(=O)C1=C(C=CS1)Br PI-29410 [0,1,0,0,0,0|3,0,0]=4 104 B10R1.149 COC(=O)C1=C(C=CS1)Cl PI-29957 [0,1,0,0,0,0|3,0,0]=4 105 B10R1.149 COC(=O)c1ccsc1N PI-15241 [0,1,0,0,0,0|3,0,0]=4 106 B10R1.149 COC(=O)c1cscc1N PI-29564 [0,1,0,0,0,0|3,0,0]=4 107 B10R1.149 COC(=O)c1cscc1N PI-29848 [0,1,0,0,0,0|3,0,0]=4 108 B10R1.149 COC(=O)c1sccc1N PI-31111 [0,1,0,0,0,0|3,0,0]=4 109 B10R1.149 COC(=O)c1sccc1O PI-18017 [0,1,0,0,0,0|3,0,0]=4 110 B10R1.149 O=C(C1=C(Br)SC=C1)OC PI-46673 [0,1,0,0,0,0|3,0,0]=4 111 B10R1.149 O=C(C1=C(F)C=CS1)OC PI-36480 [0,1,0,0,0,0|3,0,0]=4 112 B10R1.149 O=C(C1=CSC=C1Br)OC PI-46670 [0,1,0,0,0,0|3,0,0]=4 113 B10R1.192 CC(=O)c1c(C)c[nH]c1C PI-26336 [0,1,0,0,0,0|2,0,0]=3 114 B10R1.192 CC1=CSC(=C1C(=O)N)N PI-29611 [0,1,0,0,0,0|3,0,0]=4 115 B10R1.192 Cn1ncc(Br)c1C(=O)O PI-22169 [0,1,0,0,0,0|2,0,0]=3 116 B10R1.194 CC1=NC=C(N1C)[N+](=O)[O-] PI-31738 [0,1,0,0,0,0|3,0,0]=4 117 B10R1.194 ClC(=O)c1scc(Br)c1C PI-22180 [0,1,0,0,0,0|3,0,0]=4 118 B10R1.194 OC(=O)c1scc(Br)c1C PI-22179 [0,1,0,0,0,0|3,0,0]=4 119 B10R1.61 C1=CC(=C(N=C1)Br)C(=O)N PI-34520 [0,0,0,0,0,1|3,0,0]=4 120 B10R1.61 C1=CC(=C(N=C1)Br)C(=O)O PI-28439 [0,0,0,0,0,1|3,0,0]=4 121 B10R1.61 C1=CC(=C(N=C1)Cl)C(=O)Cl PI-16729 [0,0,0,0,0,1|3,0,0]=4 122 B10R1.61 C1=CC(=C(N=C1)Cl)C(=O)N PI-24027 [0,0,0,0,0,1|3,0,0]=4 123 B10R1.61 C1=CC=C(C(=C1)C(=O)N)Br PI-20527 [0,0,0,0,0,1|3,0,0]=4 124 B10R1.61 C1=CC=C(C(=C1)C(=O)N)Cl PI-23128 [0,0,0,0,0,1|3,0,0]=4 125 B10R1.61 C1=CC=C(C(=C1)C(=O)N)F PI-27598 [0,0,0,0,0,1|3,0,0]=4 126 B10R1.61 C1=CC=C(C(=C1)C(=O)O)I PI-18960 [0,0,0,0,0,1|3,0,0]=4 127 B10R1.61 C1=CC=C(C(=C1)C(=O)O)S PI-40146 [0,0,0,0,0,1|3,0,0]=4 128 B10R1.61 C1=CC=C(C(=C1)C(=O)[O-])F PI-28576 [0,0,0,0,0,1|3,0,0]=4 129 B10R1.61 C1=CN=CC(=C1Br)C(=O)O PI-42057 [0,0,0,0,0,1|3,0,0]=4 130 B10R1.61 C1=CN=CC(=C1C(=O)O)F PI-34435 [0,0,0,0,0,1|3,0,0]=4 131 B10R1.61 C1=CN=CC(=C1C(=O)O)N PI-33158 [0,0,0,0,0,1|3,0,0]=4 132 B10R1.61 C1=CNC(=S)C(=C1)C(=O)O PI-16712 [0,0,0,0,0,1|3,0,0]=4 133 B10R1.61 C1=CNC=C(C1=O)C(=O)O PI-32174 [0,0,0,0,0,1|3,0,0]=4 134 B10R1.61 CC(=O)C1=C(C=NC=C1)N PI-48174 [0,0,0,0,0,1|2,0,0]=3 135 B10R1.61 CC(=O)C1=CC=CC=C1Br PI-12211 [0,0,0,0,0,1|2,0,0]=3 136 B10R1.61 CC(=O)C1=CC=CC=C1Cl PI-11622 [0,0,0,0,0,1|2,0,0]=3 137 B10R1.61 CC(=O)C1=CC=CC=C1F PI-16975 [0,0,0,0,0,1|2,0,0]=3 138 B10R1.61 CC(=O)C1=CC=CC=C1N PI-29399 [0,0,0,0,0,1|2,0,0]=3 139 B10R1.61 CC(=O)c1ccccc1I PI-29345 [0,0,0,0,0,1|2,0,0]=3 140 B10R1.61 CC(=O)c1ccccc1N PI-11796 [0,0,0,0,0,1|2,0,0]=3 141 B10R1.61 CC1=C(C=CN=C1)C(=O)O PI-48282 [0,0,0,0,0,1|2,0,0]=3 142 B10R1.61 CC1=C(C=NC=C1)C(=O)O PI-48296 [0,0,0,0,0,1|2,0,0]=3 143 B10R1.61 CC1=C(C=NC=C1)[N+](=O)[O-] PI-10377 [0,0,0,0,0,1|3,0,0]=4 144 B10R1.61 CC1=CC=CC=C1C(=O)C PI-12963 [0,0,0,0,0,1|1,0,0]=2 145 B10R1.61 CC1=CC=CC=C1C(=O)Cl PI-34221 [0,0,0,0,0,1|2,0,0]=3 146 B10R1.61 CC1=NC=CN=C1C(=O)C PI-11038 [0,0,0,0,0,1|2,0,0]=3 147 B10R1.61 ClC(=O)c1ccccc1F PI-11847 [0,0,0,0,0,1|3,0,0]=4 148 B10R1.61 O=C(C1=C(Cl)C=NC=C1)O PI-37397 [0,0,0,0,0,1|3,0,0]=4 149 B10R1.61 OC(=O)c1ccccc1F PI-16976 [0,0,0,0,0,1|3,0,0]=4 150 B10R1.61 OC(=O)c1cccnc1Cl PI-31141 [0,0,0,0,0,1|3,0,0]=4 151 B10R1.61 OC(=O)c1cccnc1F PI-16387 [0,0,0,0,0,1|3,0,0]=4 152 B10R1.61 OC(=O)c1cccnc1N PI-31221 [0,0,0,0,0,1|3,0,0]=4 153 B10R1.61 OC(=O)c1cccnc1O PI-16700 [0,0,0,0,0,1|3,0,0]=4 154 B10R1.61 OC(=O)c1ccncc1Br PI-28140 [0,0,0,0,0,1|3,0,0]=4 155 B10R1.61 OC(=O)c1ccncc1I PI-38273 [0,0,0,0,0,1|3,0,0]=4 156 B10R1.61 OC(=O)c1ccncc1N PI-10177 [0,0,0,0,0,1|3,0,0]=4 157 B10R1.61 OC(=O)c1ccncc1O PI-28020 [0,0,0,0,0,1|3,0,0]=4 158 B10R1.61 OC(=O)c1cnccc1Cl PI-24019 [0,0,0,0,0,1|3,0,0]=4 159 B10R1.61 OC(=O)c1cnccc1N PI-10029 [0,0,0,0,0,1|3,0,0]=4 160 B10R1.61 OC(=O)c1ncccc1Br PI-28360 [0,0,0,0,0,1|3,0,0]=4 161 B10R1.61 OC(=O)c1ncccc1Cl PI-34714 [0,0,0,0,0,1|3,0,0]=4 162 B10R1.61 OC(=O)c1ncccc1F PI-34434 [0,0,0,0,0,1|3,0,0]=4 163 B10R1.61 OC(=O)c1ncccc1N PI-14129 [0,0,0,0,0,1|3,0,0]=4 164 B10R1.61 OC(=O)c1ncccc1O PI-16553 [0,0,0,0,0,1|3,0,0]=4 165 B10R1.61 [O-][N+](=O)c1cccnc1C PI-31380 [0,0,0,0,0,1|3,0,0]=4 166 B10R1.64 CC1=C(C=CO1)SC(=O)C PI-46984 [0,0,0,0,0,1|2,0,0]=3 167 B10R1.113 Brc1cccc(c1)C(=O)Cl PI-11911 [0,0,0,0,0,1|3,0,0]=4 168 B10R1.113 Brc1cccc(c1)C(=O)O PI-12741 [0,0,0,0,0,1|3,0,0]=4 169 B10R1.113 Brc1cccc(n1)C(=O)O PI-16042 [0,0,0,0,0,1|3,0,0]=4 170 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)Cl PI-12189 [0,0,0,0,0,1|3,0,0]=4 171 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)N PI-23129 [0,0,0,0,0,1|3,0,0]=4 172 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)O PI-34230 [0,0,0,0,0,1|3,0,0]=4 173 B10R1.113 C1=CC(=CC(=C1)F)C(=O)Cl PI-12124 [0,0,0,0,0,1|3,0,0]=4 174 B10R1.113 C1=CC(=CC(=C1)F)C(=O)O PI-10427 [0,0,0,0,0,1|3,0,0]=4 175 B10R1.113 C1=CC(=CC(=C1)F)C(=O)[O-] PI-28584 [0,0,0,0,0,1|3,0,0]=4 176 B10R1.113 C1=CC(=C[N+](=C1)[O-])C(=O)N PI-14714 [0,0,0,0,0,1|2,0,1]=4 177 B10R1.113 C1=CC(=NC(=C1)N)C(=O)O PI-24258 [0,0,0,0,0,1|3,0,0]=4 178 B10R1.113 CC(=O)C1=CC(=CC=C1)I PI-29141 [0,0,0,0,0,1|2,0,0]=3 179 B10R1.113 CC(=O)C1=CC(=CN=C1)Br PI-26605 [0,0,0,0,0,1|3,0,0]=4 180 B10R1.113 CC1=CC(=CC=C1)C(=N)N PI-30283 [0,0,0,0,0,1|3,0,0]=4 181 B10R1.113 CC1=CC(=CC=C1)C(=O)C PI-10859 [0,0,0,0,0,1|1,0,0]=2 182 B10R1.113 CC1=CC(=CC=C1)N(C)N PI-29882 [0,0,0,0,0,1|3,0,0]=4 183 B10R1.113 CC1=CC(=CC=C1)[C@@H](C)O PI-49835 [0,0,0,0,0,1|1,0,2]=4 184 B10R1.113 CC1=CC(=CN=C1)C(=O)O PI-13102 [0,0,0,0,0,1|3,0,0]=4 185 B10R1.113 CC1=NC(=CC=C1)C(=O)O PI-31796 [0,0,0,0,0,1|2,0,0]=3 186 B10R1.113 CC1=NC(=CC=C1)[N+](=O)[O-] PI-28224 [0,0,0,0,0,1|3,0,0]=4 187 B10R1.113 CC1=NC=CC(C(C)=O)=C1 PI-46770 [0,0,0,0,0,1|2,0,0]=3 188 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N PI-17447 [0,0,0,0,0,1|1,0,1]=3 189 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)O PI-17996 [0,0,0,0,0,1|1,0,1]=3 190 B10R1.113 C[n+]1cccc(c1)C(=O)[O-] PI-39076 [0,0,0,0,0,1|1,0,1]=3 191 B10R1.113 Cc1nccc(n1)C(=O)O PI-36794 [0,0,0,0,0,1|3,0,0]=4 192 B10R1.113 Cc1ncnc(c1)C(=O)C PI-35999 [0,0,0,0,0,1|3,0,0]=4 193 B10R1.113 Clc1cccc(n1)C(=O)O PI-10178 [0,0,0,0,0,1|3,0,0]=4 194 B10R1.113 Clc1nccc(c1)C(=O)C PI-38296 [0,0,0,0,0,1|3,0,0]=4 195 B10R1.113 Fc1cccc(c1)C(=O)C PI-28549 [0,0,0,0,0,1|2,0,0]=3 196 B10R1.113 Fc1cccc(n1)C(=O)O PI-34433 [0,0,0,0,0,1|3,0,0]=4 197 B10R1.113 Ic1cccc(c1)C(=O)O PI-12091 [0,0,0,0,0,1|3,0,0]=4 198 B10R1.113 Nc1cccc(c1)C(=O)C PI-32567 [0,0,0,0,0,1|2,0,0]=3 199 B10R1.113 Nc1cccc(c1)C(=O)N PI-30514 [0,0,0,0,0,1|3,0,0]=4 200 B10R1.113 O=C(C1=CC(C)=NC=C1)O PI-36276 [0,0,0,0,0,1|3,0,0]=4 201 B10R1.113 OC(=O)c1cccc(O)n1 PI-16038 [0,0,0,0,0,1|3,0,0]=4 202 B10R1.113 Oc1cccc(c1)C(=O)C PI-31363 [0,0,0,0,0,1|2,0,0]=3 203 B10R1.113 Oc1cccc(c1)C(=O)N PI-30785 [0,0,0,0,0,1|3,0,0]=4 204 B10R1.113 Oc1cccc(c1)C(=O)O PI-33399 [0,0,0,0,0,1|3,0,0]=4 205 B10R1.113 S=C(N)C1=CC=CC(C)=C1 PI-19344 [0,0,0,0,0,1|2,1,0]=4 206 B7R0.4 CC=CC=CC(=O)[O-] PI-15818 [1,0,1,0,0,0|1,0,0]=3 207 B7R1.1 C1=C(N=CS1)C=O PI-25454 [2,0,0,0,0,0|1,0,1]=4 208 B7R1.1 C1=C(NC=N1)C=O PI-34783 [2,0,0,0,0,0|1,0,0]=3 209 B7R1.1 C1=CNC=C1C=O PI-34088 [2,0,0,0,0,0|2,0,0]=4 210 B7R1.1 C1=CSC(=C1)C=O PI-44709 [2,0,0,0,0,0|1,0,0]=3 211 B7R1.1 CCC1=CC=CS1 PI-10993 [2,0,0,0,0,0|1,0,1]=4 212 B7R1.1 CCc1ncc[nH]1 PI-31817 [2,0,0,0,0,0|1,0,1]=4 213 B7R1.1 COc1cccs1 PI-33573 [2,0,0,0,0,0|2,0,0]=4 214 B7R1.1 O=CC1=NC=CO1 PI-39572 [2,0,0,0,0,0|1,0,1]=4 215 B7R1.1 O=Cc1cc[nH]n1 PI-39063 [2,0,0,0,0,0|1,0,1]=4 216 B7R1.1 O=Cc1ccc[nH]1 PI-16523 [2,0,0,0,0,0|0,0,0]=2 217 B7R1.1 O=Cc1cnco1 PI-38922 [2,0,0,0,0,0|2,0,0]=4 218 B7R1.1 O=Cc1cncs1 PI-25019 [2,0,0,0,0,0|2,0,0]=4 219 B7R1.1 O=Cc1cscc1 PI-10763 [2,0,0,0,0,0|2,0,0]=4 220 B7R1.1 O=Cc1ncc[nH]1 PI-24015 [2,0,0,0,0,0|1,0,0]=3 221 B7R1.1 O=Cc1nccs1 PI-11133 [2,0,0,0,0,0|1,0,1]=4 222 B7R1.4 CC1=CSC=C1C PI-35053 [2,0,0,0,0,0|2,0,0]=4 223 B7R1.4 CC1=NC=CN1C PI-31811 [2,0,0,0,0,0|1,0,0]=3 224 B7R1.4 CN1C=CN=C1Cl PI-20160 [2,0,0,0,0,0|2,0,0]=4 225 B7R1.4 CN1C=CNC1=S PI-18739 [2,0,0,0,0,0|1,1,0]=4 226 B7R1.4 CN1C=NC=C1Cl PI-11701 [2,0,0,0,0,0|2,0,0]=4 227 B7R1.4 CN1C=NC=C1Cl PI-12996 [2,0,0,0,0,0|2,0,0]=4 228 B7R1.4 CN1C=NC=C1I PI-25811 [2,0,0,0,0,0|2,0,0]=4 229 B7R1.4 Cn1ccnc1Br PI-14474 [2,0,0,0,0,0|2,0,0]=4 230 B7R1.4 Cn1nccc1C PI-37575 [2,0,0,0,0,0|1,0,0]=3 231 B7R1.4 Cn1nccc1N PI-28081 [2,0,0,0,0,0|2,0,0]=4 232 B7R1.4 Cn1nccc1O PI-37212 [2,0,0,0,0,0|1,0,1]=4 233 B7R1.4 Cn1sccc1=O PI-11861 [2,0,0,0,0,0|1,0,0]=3 234 B9R0.2 CC=CC=CCOC(=O)C PI-40367 [0,1,1,0,0,0|1,0,1]=4 235 B9R1.11 C1=CSC(=C1)C(=O)CCl PI-29443 [1,1,0,0,0,0|1,0,0]=3 236 B9R1.11 C1=CSC(=N1)C(=O)CBr PI-45387 [1,1,0,0,0,0|1,0,1]=4 237 B9R1.11 C1=CSC=C1C(=O)CBr PI-29147 [1,1,0,0,0,0|2,0,0]=4 238 B9R1.11 CCC(=O)C1=CC=CS1 PI-32561 [1,1,0,0,0,0|1,0,0]=3 239 B9R1.11 CCC(=O)C1=NC=CS1 PI-48498 [1,1,0,0,0,0|1,0,1]=4 240 B9R1.11 CCC(=O)c1ccco1 PI-17052 [1,1,0,0,0,0|1,0,0]=3 241 B9R1.11 COC(=O)C1=CC=CO1 PI-13054 [1,1,0,0,0,0|1,0,0]=3 242 B9R1.11 COC(=O)C1=CC=NN1 PI-50563 [1,1,0,0,0,0|1,0,0]=3 243 B9R1.11 COC(=O)C1=CN=CN1 PI-40206 [1,1,0,0,0,0|1,0,0]=3 244 B9R1.11 COC(=O)C1=CN=CS1 PI-25162 [1,1,0,0,0,0|2,0,0]=4 245 B9R1.11 COC(=O)C1=COC=C1 PI-19097 [1,1,0,0,0,0|2,0,0]=4 246 B9R1.11 COC(=O)C1=NC=NN1 PI-16818 [1,1,0,0,0,0|2,0,0]=4 247 B9R1.11 COC(=O)c1cccs1 PI-30692 [1,1,0,0,0,0|1,0,0]=3 248 B9R1.11 NNC(=O)c1ccco1 PI-28398 [1,1,0,0,0,0|2,0,0]=4 249 B9R1.11 NNC(=O)c1cccs1 PI-18375 [1,1,0,0,0,0|2,0,0]=4 250 B9R1.11 O=C(C1=CC=CN1)OC PI-42625 [1,1,0,0,0,0|0,0,0]=2 251 B9R1.11 O=C(C1=CNC=C1)OC PI-46831 [1,1,0,0,0,0|2,0,0]=4 252 B9R1.19 CS(=O)(=O)C1=CC=CS1 PI-29538 [1,1,0,0,0,0|2,0,0]=4 253 B9R1.35 C1=C(OC(=C1)Br)C(=O)Cl PI-21496 [1,1,0,0,0,0|2,0,0]=4 254 B9R1.35 C1=C(OC(=C1)Br)C(=O)O PI-21497 [1,1,0,0,0,0|2,0,0]=4 255 B9R1.35 C1=C(OC(=C1)N)C(=O)O PI-19351 [1,1,0,0,0,0|2,0,0]=4 256 B9R1.35 C1=C(SC(=C1)Br)C(=O)Cl PI-45457 [1,1,0,0,0,0|2,0,0]=4 257 B9R1.35 C1=C(SC(=C1)Br)C(=O)N PI-29907 [1,1,0,0,0,0|2,0,0]=4 258 B9R1.35 C1=C(SC(=C1)Br)C(=O)O PI-16448 [1,1,0,0,0,0|2,0,0]=4 259 B9R1.35 C1=C(SC(=C1)Cl)C(=O)O PI-30361 [1,1,0,0,0,0|2,0,0]=4 260 B9R1.35 CC(=O)C1=CC(Br)=CS1 PI-29021 [1,1,0,0,0,0|1,0,0]=3 261 B9R1.35 CC(=O)C1=CC=C(S1)Br PI-16279 [1,1,0,0,0,0|1,0,0]=3 262 B9R1.35 CC(=O)C1=CC=C(S1)I PI-26551 [1,1,0,0,0,0|1,0,0]=3 263 B9R1.35 CC(=O)C1=NC=C(S1)Br PI-43922 [1,1,0,0,0,0|1,0,1]=4 264 B9R1.35 CC(=O)N1C=C(C=N1)I PI-31343 [1,1,0,0,0,0|1,0,1]=4 265 B9R1.35 CC(=O)c1c[nH]c(C)n1 PI-36304 [1,1,0,0,0,0|1,0,1]=4 266 B9R1.35 CC(=O)c1cc(cs1)Cl PI-38201 [1,1,0,0,0,0|1,0,0]=3 267 B9R1.35 CC(C1=CN=C(N)S1)=O PI-46739 [1,1,0,0,0,0|2,0,0]=4 268 B9R1.35 CC1=CC=C(O1)C(=O)Cl PI-19122 [1,1,0,0,0,0|2,0,0]=4 269 B9R1.35 CC1=CC=C(O1)C(=O)O PI-17727 [1,1,0,0,0,0|2,0,0]=4 270 B9R1.35 CC1=CC=C(S1)C(=O)C PI-27153 [1,1,0,0,0,0|1,0,0]=3 271 B9R1.35 CC1=CC=C(S1)C(=O)O PI-11163 [1,1,0,0,0,0|2,0,0]=4 272 B9R1.35 CC1=CSC(=C1)C(=O)O PI-29136 [1,1,0,0,0,0|2,0,0]=4 273 B9R1.35 Clc1ccc(s1)C(=O)Cl PI-26633 [1,1,0,0,0,0|2,0,0]=4 274 B9R1.35 OC(=O)C1=CC(Br)=CN1 PI-39658 [1,1,0,0,0,0|1,0,0]=3 275 B9R1.35 OC(=O)c1cc(Br)cs1 PI-29188 [1,1,0,0,0,0|2,0,0]=4 276 B9R1.14 CCN1C=CN=C1C=O PI-39047 [1,1,0,0,0,0|1,0,0]=3 277 B9R1.22 CC1=CC(=C(S1)C)C=O PI-29416 [1,1,0,0,0,0|2,0,0]=4 278 B9R1.22 CC1=NN(C(=C1)C=O)C PI-21982 [1,1,0,0,0,0|1,0,0]=3 279 B9R1.22 CC1=NN(C(=C1)NC)C PI-46493 [1,1,0,0,0,0|2,0,0]=4 280 B9R1.22 O=Cc1[nH]c(cc1C)C PI-21987 [1,1,0,0,0,0|2,0,0]=4 281 B9R1.27 CN1C=NC(=C1C=O)Br PI-25143 [1,1,0,0,0,0|1,0,0]=3 282 B9R1.27 CN1C=NC(=C1C=O)I PI-25281 [1,1,0,0,0,0|1,0,0]=3 283 B9R1.33 CN1C=NC=C1N=C=O PI-26685 [1,1,0,0,0,0|1,0,1]=4 284 B11R1.53 C1=CC=C(C(=C1)CCl)C(=O)Cl PI-46932 [0,1,0,0,0,1|2,0,0]=4 285 B11R1.53 C1=CC=CC(=C1CCl)C(O)=O PI-32625 [0,1,0,0,0,1|2,0,0]=4 286 B11R1.53 CC(=O)C1=CC=CC=C1C#N PI-30977 [0,1,0,0,0,1|1,0,1]=4 287 B11R1.53 CCC1=NC=CN=C1C(=O)C PI-11774 [0,1,0,0,0,1|2,0,0]=4 288 B11R1.53 CNC1=CC=CC=C1C(=O)N PI-30904 [0,1,0,0,0,1|2,0,0]=4 289 B11R1.53 CNC1=CC=CC=C1C(=O)O PI-50482 [0,1,0,0,0,1|2,0,0]=4 290 B11R1.53 COC1=C(C=CN=C1)C(=O)O PI-28728 [0,1,0,0,0,1|2,0,0]=4 291 B11R1.53 COC1=CC=CC=C1C(=O)N PI-30368 [0,1,0,0,0,1|2,0,0]=4 292 B11R1.53 COc1ccccc1C(=O)C PI-12757 [0,1,0,0,0,1|1,0,0]=3 293 B11R1.53 COc1ccccc1C(=O)Cl PI-11858 [0,1,0,0,0,1|2,0,0]=4 294 B11R1.53 COc1ncccc1C(=O)O PI-16704 [0,1,0,0,0,1|2,0,0]=4 295 B11R1.53 CSC1=C(C=CC=N1)C(=O)Cl PI-30995 [0,1,0,0,0,1|2,0,0]=4 296 B11R1.156 CC(=O)c1c(Cl)cccc1Cl PI-20998 [0,1,0,0,0,1|2,0,0]=4 297 B11R1.156 CC(=O)c1c(F)cccc1Cl PI-20054 [0,1,0,0,0,1|2,0,0]=4 298 B11R1.156 CC(=O)c1c(F)cccc1F PI-31057 [0,1,0,0,0,1|2,0,0]=4 299 B11R1.156 CC(=O)c1c(O)cccc1O PI-11029 [0,1,0,0,0,1|2,0,0]=4 300 B11R1.156 CC1=C(C(=CC=C1)C)C(=O)C PI-30312 [0,1,0,0,0,1|1,0,0]=3 301 B11R1.156 CC1=C(C(=CC=C1)C)C(=O)O PI-27811 [0,1,0,0,0,1|2,0,0]=4 302 B11R1.156 CC1=C(C(=CC=C1)Cl)C(=O)N PI-30032 [0,1,0,0,0,1|2,0,0]=4 303 B11R1.156 OC(=O)c1c(C)cccc1Cl PI-11820 [0,1,0,0,0,1|2,0,0]=4 304 B11R1.156 OC(=O)c1c(C)cccc1F PI-10193 [0,1,0,0,0,1|2,0,0]=4 305 B11R1.156 OC(=O)c1c(C)cccc1N PI-18553 [0,1,0,0,0,1|2,0,0]=4 306 B11R1.159 CC(=O)C1=C(C(=CC=C1)Cl)Cl PI-20997 [0,1,0,0,0,1|2,0,0]=4 307 B11R1.159 CC(=O)C1=C(C(=CC=C1)N)O PI-10229 [0,1,0,0,0,1|2,0,0]=4 308 B11R1.159 CC(=O)C1=C(C(=CC=C1)O)O PI-30124 [0,1,0,0,0,1|2,0,0]=4 309 B11R1.159 CC(=O)c1cccc(Br)c1F PI-34270 [0,1,0,0,0,1|2,0,0]=4 310 B11R1.159 CC(=O)c1cccc(c1F)F PI-21122 [0,1,0,0,0,1|2,0,0]=4 311 B11R1.159 CC(=O)c1cccc(c1O)N PI-39350 [0,1,0,0,0,1|2,0,0]=4 312 B11R1.159 CC(C1=CC=CC(Br)=C1O)=O PI-41897 [0,1,0,0,0,1|2,0,0]=4 313 B11R1.159 CC(C1=CC=CC(Cl)=C1O)=O PI-29482 [0,1,0,0,0,1|2,0,0]=4 314 B11R1.159 CC1=C(C(=CC=C1)C(=O)C)C PI-30311 [0,1,0,0,0,1|1,0,0]=3 315 B11R1.159 CC1=C(C(=CC=C1)C(=O)Cl)C PI-21939 [0,1,0,0,0,1|2,0,0]=4 316 B11R1.159 CC1=C(C(=CC=C1)C(=O)O)C PI-27770 [0,1,0,0,0,1|2,0,0]=4 317 B11R1.159 CC1=C(C=CC=C1Br)C(=O)O PI-22125 [0,1,0,0,0,1|2,0,0]=4 318 B11R1.159 CC1=C(C=CC=C1O)C(=O)O PI-11926 [0,1,0,0,0,1|2,0,0]=4 319 B11R1.159 ClC(=O)c1cccc(c1C)Br PI-39385 [0,1,0,0,0,1|2,0,0]=4 320 B11R1.159 O=C(N)C1=CC=CC(C)=C1C PI-30715 [0,1,0,0,0,1|2,0,0]=4 321 B11R1.159 O=C(O)C1=CC=CC(N)=C1C PI-16107 [0,1,0,0,0,1|2,0,0]=4 322 B11R1.159 OC(=O)c1cccc(F)c1C PI-10192 [0,1,0,0,0,1|2,0,0]=4 323 B11R1.166 Brc1ccc(C(=O)C)c(F)c1 PI-30799 [0,1,0,0,0,1|2,0,0]=4 324 B11R1.166 CC(=O)C1=C(C)N=C(C)C=N1 PI-11037 [0,1,0,0,0,1|2,0,0]=4 325 B11R1.166 CC(=O)C1=C(C=C(C=C1)Br)O PI-43291 [0,1,0,0,0,1|2,0,0]=4 326 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)Br PI-20599 [0,1,0,0,0,1|2,0,0]=4 327 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)Cl PI-33128 [0,1,0,0,0,1|2,0,0]=4 328 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)O PI-30853 [0,1,0,0,0,1|2,0,0]=4 329 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)Br PI-14425 [0,1,0,0,0,1|2,0,0]=4 330 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)Cl PI-28768 [0,1,0,0,0,1|2,0,0]=4 331 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)F PI-16939 [0,1,0,0,0,1|2,0,0]=4 332 B11R1.166 CC(=O)C1=C(C=C(C=C1)N)O PI-42987 [0,1,0,0,0,1|2,0,0]=4 333 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)Cl PI-12994 [0,1,0,0,0,1|2,0,0]=4 334 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)F PI-16148 [0,1,0,0,0,1|2,0,0]=4 335 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)N PI-30973 [0,1,0,0,0,1|2,0,0]=4 336 B11R1.166 CC(C1=CC=C(F)C=C1O)=O PI-23585 [0,1,0,0,0,1|2,0,0]=4 337 B11R1.166 CC1=C(C=CC(=C1)Br)C(=O)Cl PI-39384 [0,1,0,0,0,1|2,0,0]=4 338 B11R1.166 CC1=C(C=CC(=C1)F)C(=O)O PI-10190 [0,1,0,0,0,1|2,0,0]=4 339 B11R1.166 CC1=C(C=CC(=C1)O)C(=O)C PI-12264 [0,1,0,0,0,1|1,0,0]=3 340 B11R1.166 CC1=CC(=C(C=C1)C(=O)C)C PI-11718 [0,1,0,0,0,1|1,0,0]=3 341 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)C PI-16114 [0,1,0,0,0,1|2,0,0]=4 342 B11R1.166 CC1=NC(=NC=C1C(=O)C)N PI-14033 [0,1,0,0,0,1|2,0,0]=4 343 B11R1.166 Cc1ccc(c(c1)O)C(=O)C PI-29847 [0,1,0,0,0,1|2,0,0]=4 344 B11R1.166 Ic1ccc(c(c1)O)C(=O)C PI-30931 [0,1,0,0,0,1|2,0,0]=4 345 B11R1.166 Nc1ccc(c(c1)C)C(=O)O PI-38300 [0,1,0,0,0,1|2,0,0]=4 346 B11R1.166 O=C(O)C1=C(C)N=C(C)C=C1 PI-37311 [0,1,0,0,0,1|2,0,0]=4 347 B11R1.166 Oc1ccc(C(=O)C)c(O)c1 PI-15410 [0,1,0,0,0,1|2,0,0]=4 348 B11R1.167 Brc1ccc(c(c1)C(=O)Cl)C PI-39383 [0,1,0,0,0,1|2,0,0]=4 349 B11R1.167 CC(=O)C1=C(C=CC(=C1)Br)F PI-40483 [0,1,0,0,0,1|2,0,0]=4 350 B11R1.167 CC(=O)C1=C(C=CC(=C1)Br)N PI-50076 [0,1,0,0,0,1|2,0,0]=4 351 B11R1.167 CC(=O)C1=C(C=CC(=C1)Br)O PI-15407 [0,1,0,0,0,1|2,0,0]=4 352 B11R1.167 CC(=O)C1=C(C=CC(=C1)Cl)O PI-11257 [0,1,0,0,0,1|2,0,0]=4 353 B11R1.167 CC(=O)C1=C(C=CC(=C1)F)F PI-28256 [0,1,0,0,0,1|2,0,0]=4 354 B11R1.167 CC(=O)C1=C(C=CC(=C1)F)O PI-16161 [0,1,0,0,0,1|2,0,0]=4 355 B11R1.167 CC(=O)C1=C(C=CC(=C1)N)Cl PI-31000 [0,1,0,0,0,1|2,0,0]=4 356 B11R1.167 CC(=O)C1=C(N=CC(=C1)Br)F PI-48367 [0,1,0,0,0,1|2,0,0]=4 357 B11R1.167 CC(C1=CC(F)=CC=C1I)=O PI-41210 [0,1,0,0,0,1|2,0,0]=4 358 B11R1.167 CC(C1=CC(F)=CC=C1N)=O PI-46722 [0,1,0,0,0,1|2,0,0]=4 359 B11R1.167 CC1=C(C=C(C=C1)Br)C(=O)O PI-31513 [0,1,0,0,0,1|2,0,0]=4 360 B11R1.167 CC1=C(C=C(C=C1)F)C(=O)Cl PI-23751 [0,1,0,0,0,1|2,0,0]=4 361 B11R1.167 CC1=C(C=C(C=C1)F)C(=O)N PI-23733 [0,1,0,0,0,1|2,0,0]=4 362 B11R1.167 CC1=C(C=C(C=C1)I)C(=O)O PI-35497 [0,1,0,0,0,1|2,0,0]=4 363 B11R1.167 CC1=CC(=C(C=C1)C)C(=O)C PI-23365 [0,1,0,0,0,1|1,0,0]=3 364 B11R1.167 CC1=CC(=C(C=C1)C)C(=O)O PI-16116 [0,1,0,0,0,1|2,0,0]=4 365 B11R1.167 CC1=CC(=C(C=C1)F)C(=O)C PI-30627 [0,1,0,0,0,1|2,0,0]=4 366 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)C PI-16152 [0,1,0,0,0,1|2,0,0]=4 367 B11R1.167 Clc1ccc(c(c1)C(=O)C)Cl PI-11720 [0,1,0,0,0,1|2,0,0]=4 368 B11R1.167 Clc1ccc(c(n1)C(=O)O)C PI-39087 [0,1,0,0,0,1|2,0,0]=4 369 B11R1.167 Fc1ccc(Cl)c(c1)C(=O)C PI-29442 [0,1,0,0,0,1|2,0,0]=4 370 B11R1.167 Fc1ccc(c(c1)C(=O)O)C PI-16069 [0,1,0,0,0,1|2,0,0]=4 371 B11R1.167 Oc1ccc(O)c(c1)C(=O)C PI-31206 [0,1,0,0,0,1|2,0,0]=4 372 B11R1.222 BrCC(=O)c1ccccc1Br PI-31567 [0,1,0,0,0,1|2,0,0]=4 373 B11R1.222 BrCC(=O)c1ccccc1Cl PI-20199 [0,1,0,0,0,1|2,0,0]=4 374 B11R1.222 BrCC(=O)c1ccccc1F PI-17348 [0,1,0,0,0,1|2,0,0]=4 375 B11R1.222 BrCC(=O)c1ccccc1O PI-31566 [0,1,0,0,0,1|2,0,0]=4 376 B11R1.222 CC1=C(C=CC=N1)C(=O)OC PI-13128 [0,1,0,0,0,1|1,0,0]=3 377 B11R1.222 CC1=CC=CC=C1C(=O)CBr PI-31565 [0,1,0,0,0,1|1,0,0]=3 378 B11R1.222 CC1=CC=CC=C1C(=O)NN PI-24611 [0,1,0,0,0,1|2,0,0]=4 379 B11R1.222 CCC(=O)C1=CC=CC=C1F PI-16905 [0,1,0,0,0,1|2,0,0]=4 380 B11R1.222 CCC(=O)c1ccccc1O PI-15452 [0,1,0,0,0,1|2,0,0]=4 381 B11R1.222 COC(=O)C1=C(C=CC=N1)Cl PI-34713 [0,1,0,0,0,1|2,0,0]=4 382 B11R1.222 COC(=O)C1=C(C=CN=C1)N PI-33897 [0,1,0,0,0,1|2,0,0]=4 383 B11R1.222 COC(=O)C1=C(C=NC=C1)O PI-34886 [0,1,0,0,0,1|2,0,0]=4 384 B11R1.222 COC(=O)C1=C(N=CC=C1)Cl PI-24397 [0,1,0,0,0,1|2,0,0]=4 385 B11R1.222 COC(=O)C1=C(N=CC=C1)N PI-35287 [0,1,0,0,0,1|2,0,0]=4 386 B11R1.222 COC(=O)C1=CC=CC=C1Br PI-50462 [0,1,0,0,0,1|2,0,0]=4 387 B11R1.222 COC(=O)C1=CC=CC=C1Cl PI-34231 [0,1,0,0,0,1|2,0,0]=4 388 B11R1.222 COC(=O)C1=CC=CC=C1F PI-34134 [0,1,0,0,0,1|2,0,0]=4 389 B11R1.222 COC(=O)C1=CC=CC=C1S PI-50244 [0,1,0,0,0,1|2,0,0]=4 390 B11R1.222 COC(=O)c1ccccc1I PI-10942 [0,1,0,0,0,1|2,0,0]=4 391 B11R1.222 COC(=O)c1ccncc1Br PI-38429 [0,1,0,0,0,1|2,0,0]=4 392 B11R1.222 COC(=O)c1ccncc1Cl PI-36383 [0,1,0,0,0,1|2,0,0]=4 393 B11R1.222 COC(=O)c1ccncc1N PI-35280 [0,1,0,0,0,1|2,0,0]=4 394 B11R1.222 COC(=O)c1ncccc1N PI-39311 [0,1,0,0,0,1|2,0,0]=4 395 B11R1.222 COC(=O)c1ncccc1O PI-31931 [0,1,0,0,0,1|2,0,0]=4 396 B11R1.222 O=C(C1=CC=CNC1=O)OC PI-40201 [0,1,0,0,0,1|2,0,0]=4 397 B11R1.222 O=C(C1=NC=CC=C1Br)OC PI-39663 [0,1,0,0,0,1|2,0,0]=4 398 B11R1.21 CC(=O)C1=CC(=C(C=C1)Br)F PI-43296 [0,1,0,0,0,1|2,0,0]=4 399 B11R1.21 CC(=O)C1=CC(=C(C=C1)Cl)Cl PI-29417 [0,1,0,0,0,1|2,0,0]=4 400 B11R1.21 CC(=O)C1=CC(=C(C=C1)Cl)F PI-30165 [0,1,0,0,0,1|2,0,0]=4 401 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)Br PI-12717 [0,1,0,0,0,1|2,0,0]=4 402 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)F PI-28452 [0,1,0,0,0,1|2,0,0]=4 403 B11R1.21 CC(=O)c1ccc(Cl)c(C)c1 PI-29523 [0,1,0,0,0,1|1,0,0]=3 404 B11R1.21 CC(=O)c1ccc(F)c(Cl)c1 PI-16917 [0,1,0,0,0,1|2,0,0]=4 405 B11R1.21 CC(=O)c1ccc(c(c1)C)O PI-29955 [0,1,0,0,0,1|1,0,0]=3 406 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O PI-30431 [0,1,0,0,0,1|2,0,0]=4 407 B11R1.21 CC(=O)c1ccc(c(c1)F)O PI-23584 [0,1,0,0,0,1|2,0,0]=4 408 B11R1.21 CC(C1=CC=C(O)C(O)=C1)=O PI-29084 [0,1,0,0,0,1|2,0,0]=4 409 B11R1.21 CC1=C(C=C(C=C1)C(=O)C)Br PI-30577 [0,1,0,0,0,1|2,0,0]=4 410 B11R1.21 CC1=C(C=C(C=C1)C(=O)C)O PI-10230 [0,1,0,0,0,1|2,0,0]=4 411 B11R1.21 CC1=C(C=C(C=C1)C(=O)Cl)C PI-23822 [0,1,0,0,0,1|2,0,0]=4 412 B11R1.21 CC1=C(C=C(C=C1)C(=O)N)C PI-30714 [0,1,0,0,0,1|2,0,0]=4 413 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)C PI-27799 [0,1,0,0,0,1|2,0,0]=4 414 B11R1.21 CC1=C(C=CC(=C1)C(=O)C)F PI-30538 [0,1,0,0,0,1|1,0,0]=3 415 B11R1.21 CC1=C(C=CC(=C1)C(=O)Cl)F PI-23750 [0,1,0,0,0,1|2,0,0]=4 416 B11R1.21 CC1=C(C=CC(=C1)C(=O)N)Br PI-30206 [0,1,0,0,0,1|2,0,0]=4 417 B11R1.21 CC1=C(C=CC(=C1)C(=O)N)N PI-35808 [0,1,0,0,0,1|2,0,0]=4 418 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Br PI-22129 [0,1,0,0,0,1|2,0,0]=4 419 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Cl PI-31518 [0,1,0,0,0,1|2,0,0]=4 420 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)F PI-23746 [0,1,0,0,0,1|2,0,0]=4 421 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)O PI-20807 [0,1,0,0,0,1|2,0,0]=4 422 B11R1.21 CC1=C(C=CC(=N1)C(=O)O)F PI-34875 [0,1,0,0,0,1|2,0,0]=4 423 B11R1.21 O=C(N)C1=CC=C(F)C(C)=C1 PI-23732 [0,1,0,0,0,1|2,0,0]=4 424 B11R1.21 OC(=O)c1ccc(N)c(C)c1 PI-27395 [0,1,0,0,0,1|2,0,0]=4 425 B11R1.23 BrCC(=O)c1cccc(Br)c1 PI-22228 [0,1,0,0,0,1|2,0,0]=4 426 B11R1.23 C1=C(C=CC=C1C(OC)=O)O PI-18286 [0,1,0,0,0,1|2,0,0]=4 427 B11R1.23 C1=CC(=CC(=C1)Cl)C(=O)CBr PI-20200 [0,1,0,0,0,1|2,0,0]=4 428 B11R1.23 C1=CC(=CC(=C1)Cl)C(=O)CCl PI-32569 [0,1,0,0,0,1|2,0,0]=4 429 B11R1.23 C1=CC(=CC(=C1)F)C(=O)CBr PI-31564 [0,1,0,0,0,1|2,0,0]=4 430 B11R1.23 CC1=CC(=CC=C1)C(=O)NN PI-24087 [0,1,0,0,0,1|2,0,0]=4 431 B11R1.23 CC1=CC(=CC=C1)C(=O)OC PI-50285 [0,1,0,0,0,1|1,0,0]=3 432 B11R1.23 CCC(=O)C1=CC(=CC=C1)F PI-28550 [0,1,0,0,0,1|2,0,0]=4 433 B11R1.23 CCC(=O)C1=CC(=CC=C1)O PI-17471 [0,1,0,0,0,1|2,0,0]=4 434 B11R1.23 CCC(=O)c1cccc(c1)Cl PI-13415 [0,1,0,0,0,1|2,0,0]=4 435 B11R1.23 CN1CCC=C(C1)C(=O)OC PI-46489 [0,1,0,0,0,1|0,0,2]=4 436 B11R1.23 CNC(=O)C1=CC(=CC=C1)N PI-17436 [0,1,0,0,0,1|2,0,0]=4 437 B11R1.23 COC(=O)C1=CC(=CC=C1)Br PI-29779 [0,1,0,0,0,1|2,0,0]=4 438 B11R1.23 COC(=O)C1=CC(=CC=C1)Cl PI-14890 [0,1,0,0,0,1|2,0,0]=4 439 B11R1.23 COC(=O)C1=CC(=CC=C1)F PI-34142 [0,1,0,0,0,1|2,0,0]=4 440 B11R1.23 COC(=O)C1=NC(=CC=C1)Cl PI-35288 [0,1,0,0,0,1|2,0,0]=4 441 B11R1.23 COC(=O)c1cccc(c1)N PI-10944 [0,1,0,0,0,1|2,0,0]=4 442 B11R1.23 COC(=O)c1cccc(n1)Br PI-38915 [0,1,0,0,0,1|2,0,0]=4 443 B11R1.23 O=C(OC)C1=CC=CC(I)=C1 PI-41906 [0,1,0,0,0,1|2,0,0]=4 444 B11R1.74 CC(=O)C1=CC(=CC(=C1)Br)Br PI-40368 [0,1,0,0,0,1|2,0,0]=4 445 B11R1.74 CC(=O)C1=CC(=CC(=C1)Cl)Cl PI-29140 [0,1,0,0,0,1|2,0,0]=4 446 B11R1.74 CC(C1=CC(F)=CC(F)=C1)=O PI-16883 [0,1,0,0,0,1|2,0,0]=4 447 B11R1.74 CC(C1=CC(O)=CC(O)=C1)=O PI-11032 [0,1,0,0,0,1|2,0,0]=4 448 B11R1.74 Cc1cc(C)cc(c1)C(=O)C PI-30691 [0,1,0,0,0,1|1,0,0]=3 449 B11R1.74 Cc1cc(C)cc(c1)C(=O)O PI-31207 [0,1,0,0,0,1|2,0,0]=4 450 B11R1.74 Cc1cc(F)cc(c1)C(=O)O PI-34459 [0,1,0,0,0,1|2,0,0]=4 451 B11R1.74 Cc1cc(O)cc(c1)C(=O)O PI-39027 [0,1,0,0,0,1|2,0,0]=4 452 B11R1.266 C1=CC(=CC(=C1)C(=O)Cl)CCl PI-35901 [0,1,0,0,0,1|2,0,0]=4 453 B11R1.266 C1=CC(=CC(=C1)C(=O)O)CCl PI-27471 [0,1,0,0,0,1|2,0,0]=4 454 B11R1.266 C1=CC(=CC(=C1)C(=O)O)CN PI-30963 [0,1,0,0,0,1|2,0,0]=4 455 B11R1.266 C1=CC(=CC(=C1)C(=O)O)CN PI-33743 [0,1,0,0,0,1|2,0,0]=4 456 B11R1.266 CC(=O)C1=CC(=CC=C1)OC PI-44646 [0,1,0,0,0,1|1,0,0]=3 457 B11R1.266 CC(=O)C1=CC=CC(=C1)CCl PI-16155 [0,1,0,0,0,1|1,0,0]=3 458 B11R1.266 CC(=O)C1=NC(=NC=C1)SC PI-49758 [0,1,0,0,0,1|2,0,0]=4 459 B11R1.266 CCC1=CC(=CC=C1)C(=O)C PI-22041 [0,1,0,0,0,1|1,0,0]=3 460 B11R1.266 COC1=CC=CC(=C1)C(=O)Cl PI-50560 [0,1,0,0,0,1|2,0,0]=4 461 B11R1.266 COC1=CC=CC(=C1)C(=O)O PI-33400 [0,1,0,0,0,1|2,0,0]=4 462 B11R1.266 COC1=CC=CC(=N1)C(=O)O PI-28329 [0,1,0,0,0,1|2,0,0]=4 463 B11R1.266 COc1cccc(c1)C(=O)N PI-30738 [0,1,0,0,0,1|2,0,0]=4 464 B11R1.266 N#Cc1cccc(c1)C(=O)C PI-29763 [0,1,0,0,0,1|1,0,1]=4 465 B11R1.266 NCc1cccc(c1)C(=O)N PI-38245 [0,1,0,0,0,1|2,0,0]=4 466 B11R1.266 OCC1=CC=CC(=C1)C(O)=O PI-42488 [0,1,0,0,0,1|2,0,0]=4 467 B11R1.49 CCN1C(=CC(=N1)C)C(=O)O PI-29644 [0,2,0,0,0,0|2,0,0]=4 468 B11R1.59 COC1=C(SC=C1)C(=O)OC PI-29790 [0,2,0,0,0,0|2,0,0]=4 469 B11R1.59 COC1=CSC=C1C(=O)OC PI-29829 [0,2,0,0,0,0|2,0,0]=4 470 B11R1.471 CCn1ncc(Br)c1C(=O)O PI-21428 [0,2,0,0,0,0|2,0,0]=4 471 B11R1.225 CC1=CC(=C(N1)C)C(=O)OC PI-30859 [0,2,0,0,0,0|2,0,0]=4 472 B11R1.673 CC1=NN(C(=C1Br)C(=O)O)C PI-21400 [0,2,0,0,0,0|2,0,0]=4 473 B11R1.199 CCOC(=O)C1=C(OC=C1)C PI-17357 [0,2,0,0,0,0|2,0,0]=4 474 B11R1.199 CCOC(=O)c1nccn1C PI-38402 [0,2,0,0,0,0|1,0,0]=3 475 B9R1.2 CC1=NC(=CC=C1)NN PI-36907 [0,0,1,1,0,0|2,0,0]=4 476 B9R1.2 CC1=NC(=CC=C1)OC PI-10858 [0,0,1,1,0,0|2,0,0]=4 477 B9R1.2 CNc1cccc(c1)F PI-29299 [0,0,1,1,0,0|1,0,1]=4 478 B9R1.2 NNc1cccc(c1)C PI-29814 [0,0,1,1,0,0|2,0,0]=4 479 B9R1.6 CC(=O)C1=CC=CC=N1 PI-48516 [0,0,1,1,0,0|2,0,0]=4 480 B9R1.6 CC(=O)c1cccnc1 PI-32250 [0,0,1,1,0,0|0,0,2]=4 481 B9R1.15 CCc1ccccc1C PI-36541 [0,0,1,1,0,0|2,0,0]=4 482 B9R1.15 CNC1=CC=CC=C1F PI-28236 [0,0,1,1,0,0|1,0,1]=4 483 B9R1.15 CNC1=CC=CC=C1N PI-23401 [0,0,1,1,0,0|1,0,1]=4 484 B9R1.15 CNC1=CC=CC=C1N PI-28564 [0,0,1,1,0,0|1,0,1]=4 485 B9R1.15 CNc1cccnc1Cl PI-32645 [0,0,1,1,0,0|2,0,0]=4 486 B9R1.15 COc1ccc[nH]c1=O PI-26288 [0,0,1,1,0,0|2,0,0]=4 487 B9R1.15 NNc1ccccc1C PI-29808 [0,0,1,1,0,0|2,0,0]=4 488 B11R2.1 C1C(=O)C2=CC=CC=C2O1 PI-27871 [0,0,0,1,0,1|2,0,0]=4 489 B11R2.1 C1C(=O)C2=CC=CC=C2O1 PI-33947 [0,0,0,1,0,1|2,0,0]=4 490 B11R2.1 C1C2=C(C(=O)O1)N=CC=C2 PI-40243 [0,0,0,1,0,1|2,0,0]=4 491 B11R2.1 C1CC(=O)C2=CC=CC=C21 PI-12356 [0,0,0,1,0,1|1,0,0]=3 492 B11R2.1 O=C1C2=CC=CC=C2SC1 PI-42644 [0,0,0,1,0,1|2,0,0]=4 493 B11R2.1 O=C1OCc2c1cccc2 PI-33738 [0,0,0,1,0,1|2,0,0]=4 494 B11R2.106 O=C1CCCc2occc12 PI-27242 [0,1,0,1,0,0|2,0,0]=4 495 B11R2.106 O=C1NC=NN2C=CC=C12 PI-41561 [0,1,0,1,0,0|1,0,1]=4 496 B11R1.86 CC(=O)Cc1ccccc1F PI-38595 [0,0,0,0,0,2|2,0,0]=4 497 B11R1.86 CC(=O)NC1=CC=CC=C1Br PI-50525 [0,0,0,0,0,2|2,0,0]=4 498 B11R1.86 CC(=O)NC1=CC=CC=C1F PI-34151 [0,0,0,0,0,2|2,0,0]=4 499 B11R1.86 CC(=O)NC1=CC=CC=C1O PI-11773 [0,0,0,0,0,2|2,0,0]=4 500 B11R1.86 CC(=O)Nc1ccccc1N PI-39094 [0,0,0,0,0,2|2,0,0]=4 501 B11R1.86 CC(=O)OC1=CC=CC=C1Cl PI-10924 [0,0,0,0,0,2|2,0,0]=4 502 B11R1.86 ClC(=O)Cc1ccccc1C PI-24889 [0,0,0,0,0,2|2,0,0]=4 503 B11R1.86 OC(=O)Cc1ccccc1C PI-30825 [0,0,0,0,0,2|2,0,0]=4 504 B11R1.90 CN1C=CC=C1C=C[N+](=O)[O-] PI-33708 [0,0,0,0,0,2|2,0,0]=4 505 B11R1.157 CC(=O)Cc1cccc(c1)Br PI-38558 [0,0,0,0,0,2|2,0,0]=4 506 B11R1.157 CC(=O)NC1=CC(=CC=C1)Br PI-50520 [0,0,0,0,0,2|2,0,0]=4 507 B11R1.157 CC(=O)NC1=CC(=CC=C1)F PI-23433 [0,0,0,0,0,2|2,0,0]=4 508 B11R1.157 CC(=O)NC1=CC=CC(=C1)N PI-17432 [0,0,0,0,0,2|2,0,0]=4 509 B11R1.157 CC(=O)OC1=CC(=CC=C1)F PI-26855 [0,0,0,0,0,2|2,0,0]=4 510 B11R1.157 CC1=NC(=CC=C1)NC(=O)C PI-46994 [0,0,0,0,0,2|1,0,0]=3