0 B9R1.6 B(C1=CN=CC=C1)(O)O PI-13311 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.6 C1=C(C=NC=N1)C(=O)O PI-21348 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.6 C1=CC(=CN=C1)C(=O)Cl PI-18307 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.6 C1=CC(=CN=C1)C(=O)N PI-14591 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.6 C1=CC(=CN=C1)C(=S)N PI-41116 [0,0,0,0,0,0|2,1,0]=3 5 B9R1.6 C1=CC(=NN=C1)C(=O)Cl PI-48417 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.6 C1=CC=C(C=C1)C(=O)Br PI-46923 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.6 C1=CC=NC(=C1)C(=O)Cl PI-36884 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.6 C1=CC=NC(=C1)C(=O)O PI-44932 [0,0,0,0,0,0|2,0,0]=2 9 B9R1.6 C1=CN=C(C=N1)C(=N)N PI-33861 [0,0,0,0,0,0|2,0,0]=2 10 B9R1.6 C1=CN=C(N=C1)C(=N)N PI-45842 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.6 C1=CN=CC=C1C(=O)Cl PI-29544 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.6 C1=CN=CC=C1C(=O)N PI-46036 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.6 C1=CN=NC=C1C(=O)O PI-32630 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.6 C1=NC=CN=C1C(O)=O PI-14238 [0,0,0,0,0,0|1,0,0]=1 15 B9R1.6 CC(=O)C1=CC=CC=N1 PI-48516 [0,0,0,0,0,0|1,0,0]=1 16 B9R1.6 CC(=O)C1=CCCCC1 PI-26979 [0,0,0,0,0,0|2,0,2]=4 17 B9R1.6 CC(=O)C1=CN=CN=C1 PI-40256 [0,0,0,0,0,0|2,0,0]=2 18 B9R1.6 CC(=O)C1=NC=CC=N1 PI-42079 [0,0,0,0,0,0|2,0,0]=2 19 B9R1.6 CC(=O)C1=NC=CN=C1 PI-16283 [0,0,0,0,0,0|0,0,0]=0 20 B9R1.6 CC(=O)c1cccnc1 PI-32250 [0,0,0,0,0,0|1,0,0]=1 21 B9R1.6 CC(=O)c1ccncc1 PI-38297 [0,0,0,0,0,0|3,0,0]=3 22 B9R1.6 CC(C1=CC=CC=C1)N PI-32638 [0,0,0,0,0,0|3,0,1]=4 23 B9R1.6 CC(C1=CN=CN=C1)N PI-43048 [0,0,0,0,0,0|3,0,1]=4 24 B9R1.6 CC(C1=NC=CN=C1)N PI-37121 [0,0,0,0,0,0|1,0,1]=2 25 B9R1.6 CC(c1ccccn1)N PI-38576 [0,0,0,0,0,0|2,0,1]=3 26 B9R1.6 CN(C1=CC=CC=C1)N PI-29778 [0,0,0,0,0,0|4,0,0]=4 27 B9R1.6 C[C@@H](C1=CC=CC=C1)O PI-50011 [0,0,0,0,0,0|2,0,2]=4 28 B9R1.6 C[C@@H](N)c1ccccn1 PI-36896 [0,0,0,0,0,0|2,0,1]=3 29 B9R1.6 C[C@@H](O)C1=NC=CC=C1 PI-42552 [0,0,0,0,0,0|1,0,2]=3 30 B9R1.6 C[C@@H](c1ccccc1)N PI-11219 [0,0,0,0,0,0|3,0,1]=4 31 B9R1.6 C[C@H](O)C1=NC=CC=C1 PI-42531 [0,0,0,0,0,0|1,0,2]=3 32 B9R1.6 C[C@H](c1ccccc1)N PI-11221 [0,0,0,0,0,0|3,0,1]=4 33 B9R1.6 C[C@H](c1ccccc1)O PI-38963 [0,0,0,0,0,0|2,0,2]=4 34 B9R1.6 C[SiH](c1ccccc1)C PI-39122 [0,0,0,0,0,0|3,1,0]=4 35 B9R1.6 FC(c1ccccn1)F PI-35198 [0,0,0,0,0,0|3,0,1]=4 36 B9R1.6 N1=C(N=CC=C1)C(=O)O PI-36489 [0,0,0,0,0,0|3,0,0]=3 37 B9R1.6 N=C(C1=CC=CN=C1)N PI-36525 [0,0,0,0,0,0|3,0,0]=3 38 B9R1.6 N=C(N)C1=CN=CC=C1 PI-30891 [0,0,0,0,0,0|3,0,0]=3 39 B9R1.6 NC(=N)c1ccccc1 PI-30200 [0,0,0,0,0,0|4,0,0]=4 40 B9R1.6 NC(=N)c1ccccn1 PI-30669 [0,0,0,0,0,0|3,0,0]=3 41 B9R1.6 NC(=O)c1cccnc1 PI-12870 [0,0,0,0,0,0|2,0,0]=2 42 B9R1.6 NC(=S)c1ccccc1 PI-29356 [0,0,0,0,0,0|3,1,0]=4 43 B9R1.6 NC(=S)c1cncnc1 PI-36422 [0,0,0,0,0,0|3,1,0]=4 44 B9R1.6 OB(c1ccccn1)O PI-25302 [0,0,0,0,0,0|3,0,1]=4 45 B9R1.6 OC(=O)c1cccnc1 PI-15824 [0,0,0,0,0,0|2,0,0]=2 46 B9R1.6 OC(=O)c1ccncn1 PI-32629 [0,0,0,0,0,0|3,0,0]=3 47 B9R1.6 [O-]C(=O)c1ccccn1 PI-27190 [0,0,0,0,0,0|2,0,0]=2 48 B8R1.2 C#CC1=NC=CC=C1 PI-37137 [1,0,0,0,0,0|1,0,2]=4 49 B8R1.2 C1=C(N=CC=N1)CN PI-42651 [1,0,0,0,0,0|1,0,1]=3 50 B8R1.2 C1=CC(=CN=C1)CCl PI-16717 [1,0,0,0,0,0|2,0,1]=4 51 B8R1.2 C1=CC(=CN=C1)NN PI-39291 [1,0,0,0,0,0|3,0,0]=4 52 B8R1.2 C1=CC=NC(=C1)NN PI-46991 [1,0,0,0,0,0|3,0,0]=4 53 B8R1.2 C1=CC=NC(=C1)NN PI-50652 [1,0,0,0,0,0|3,0,0]=4 54 B8R1.2 C1=CN=C(C=N1)NN PI-48275 [1,0,0,0,0,0|2,0,0]=3 55 B8R1.2 C1=CN=C(N=C1)C=O PI-32954 [1,0,0,0,0,0|2,0,0]=3 56 B8R1.2 C1=CN=CN=C1C=O PI-34868 [1,0,0,0,0,0|2,0,0]=3 57 B8R1.2 CCC1=CC=CC=N1 PI-49466 [1,0,0,0,0,0|1,0,1]=3 58 B8R1.2 CCC1=NC=CN=C1 PI-11040 [1,0,0,0,0,0|0,0,1]=2 59 B8R1.2 CNC1=CC=CC=N1 PI-11864 [1,0,0,0,0,0|2,0,0]=3 60 B8R1.2 CNC1=CN=CC=C1 PI-11328 [1,0,0,0,0,0|2,0,0]=3 61 B8R1.2 COC1=CC=CC=N1 PI-33887 [1,0,0,0,0,0|2,0,0]=3 62 B8R1.2 COC1=CN=CC=C1 PI-33889 [1,0,0,0,0,0|2,0,0]=3 63 B8R1.2 COC1=NC=CN=C1 PI-11859 [1,0,0,0,0,0|1,0,0]=2 64 B8R1.2 CSC1=CC=CC=N1 PI-16757 [1,0,0,0,0,0|2,0,0]=3 65 B8R1.2 CSC1=NC=CN=C1 PI-11048 [1,0,0,0,0,0|1,0,0]=2 66 B8R1.2 CSC1=NN=CC=N1 PI-37184 [1,0,0,0,0,0|2,0,0]=3 67 B8R1.2 ClCC1=CN=CC=N1 PI-39634 [1,0,0,0,0,0|1,0,1]=3 68 B8R1.2 ClCC1=NC=CC=C1 PI-11827 [1,0,0,0,0,0|2,0,1]=4 69 B8R1.2 ClCc1ccccn1 PI-16716 [1,0,0,0,0,0|2,0,1]=4 70 B8R1.2 NCc1ccccn1 PI-33905 [1,0,0,0,0,0|2,0,1]=4 71 B8R1.2 NCc1cccnc1 PI-15236 [1,0,0,0,0,0|2,0,1]=4 72 B8R1.2 O=Cc1ccccn1 PI-33895 [1,0,0,0,0,0|1,0,0]=2 73 B8R1.2 O=Cc1cccnc1 PI-33908 [1,0,0,0,0,0|1,0,0]=2 74 B8R1.2 O=Cc1ccncc1 PI-13140 [1,0,0,0,0,0|3,0,0]=4 75 B8R1.2 OCC1=CC=CN=C1 PI-11019 [1,0,0,0,0,0|1,0,2]=4 76 B8R1.2 OCC1=NC=CC=C1 PI-16261 [1,0,0,0,0,0|1,0,2]=4 77 B8R1.2 c1nccnc1C#N PI-11837 [1,0,0,0,0,0|1,0,1]=3 78 B10R1.13 Brc1ccc(cc1)C(=O)O PI-27741 [0,1,0,0,0,0|3,0,0]=4 79 B10R1.13 Brc1ccc(cn1)C(=O)O PI-10090 [0,1,0,0,0,0|2,0,0]=3 80 B10R1.13 Brc1ccc(cn1)[N+](=O)[O-] PI-10084 [0,1,0,0,0,0|3,0,0]=4 81 B10R1.13 Brc1ccc(nc1)C(=O)O PI-10180 [0,1,0,0,0,0|2,0,0]=3 82 B10R1.13 Brc1ccc(nc1)[N+](=O)[O-] PI-16738 [0,1,0,0,0,0|3,0,0]=4 83 B10R1.13 C1=C(C=NC(=N1)C(=O)O)Br PI-32859 [0,1,0,0,0,0|3,0,0]=4 84 B10R1.13 C1=CC(=CC=C1C(=O)Cl)F PI-11984 [0,1,0,0,0,0|3,0,0]=4 85 B10R1.13 C1=CC(=CC=C1C(=O)N)Cl PI-30790 [0,1,0,0,0,0|3,0,0]=4 86 B10R1.13 C1=CC(=CC=C1C(=O)N)O PI-20729 [0,1,0,0,0,0|3,0,0]=4 87 B10R1.13 C1=CC(=CC=C1C(=O)O)I PI-12206 [0,1,0,0,0,0|3,0,0]=4 88 B10R1.13 C1=CC(=CC=C1C(=O)O)S PI-11996 [0,1,0,0,0,0|3,0,0]=4 89 B10R1.13 C1=CC(=CC=C1C(=O)[O-])F PI-28585 [0,1,0,0,0,0|3,0,0]=4 90 B10R1.13 C1=CC(=CC=C1C(N)=O)F PI-28843 [0,1,0,0,0,0|3,0,0]=4 91 B10R1.13 C1=CC(=NC=C1C(=O)N)Cl PI-30802 [0,1,0,0,0,0|2,0,0]=3 92 B10R1.13 C1=CC(=NC=C1C(=O)N)N PI-17748 [0,1,0,0,0,0|2,0,0]=3 93 B10R1.13 C1=CC(=NC=C1C(=O)O)Cl PI-31219 [0,1,0,0,0,0|2,0,0]=3 94 B10R1.13 C1=CC(=NC=C1C(=O)O)F PI-16388 [0,1,0,0,0,0|2,0,0]=3 95 B10R1.13 C1=CC(=NC=C1C(=O)O)N PI-10089 [0,1,0,0,0,0|2,0,0]=3 96 B10R1.13 C1=CC(=NC=C1[N+](=O)[O-])N PI-31194 [0,1,0,0,0,0|3,0,0]=4 97 B10R1.13 C1=CC(=O)NC=C1C(=O)O PI-10378 [0,1,0,0,0,0|2,0,1]=4 98 B10R1.13 C1=CC(=O)OC=C1C(=O)O PI-31209 [0,1,0,0,0,0|3,0,0]=4 99 B10R1.13 CC(=O)C1=CC=C(C=C1)Br PI-44871 [0,1,0,0,0,0|2,0,0]=3 100 B10R1.13 CC(=O)C1=CC=C(C=C1)N PI-29588 [0,1,0,0,0,0|2,0,0]=3 101 B10R1.13 CC(=O)C1=CN=C(C=C1)N PI-34884 [0,1,0,0,0,0|1,0,0]=2 102 B10R1.13 CC(=O)C1=NC=C(C=C1)Br PI-41220 [0,1,0,0,0,0|1,0,0]=2 103 B10R1.13 CC(=O)c1ccc(cc1)I PI-29117 [0,1,0,0,0,0|2,0,0]=3 104 B10R1.13 CC(C1=CC=C(O)C=C1)=O PI-37424 [0,1,0,0,0,0|2,0,0]=3 105 B10R1.13 CC(N)C1=NC=C(F)C=C1 PI-41878 [0,1,0,0,0,0|2,0,1]=4 106 B10R1.13 CC1=CC=C(C=C1)C(=O)C PI-32267 [0,1,0,0,0,0|2,0,0]=3 107 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl PI-34220 [0,1,0,0,0,0|3,0,0]=4 108 B10R1.13 CC1=NC=C(C=C1)C(=O)C PI-34864 [0,1,0,0,0,0|1,0,0]=2 109 B10R1.13 CC1=NC=C(C=C1)[N+](=O)[O-] PI-24226 [0,1,0,0,0,0|3,0,0]=4 110 B10R1.13 CN(C)C1=CN=C(C=N1)Br PI-47342 [0,1,0,0,0,0|2,0,0]=3 111 B10R1.13 CN(C)C1=NC=C(Br)C=C1 PI-46676 [0,1,0,0,0,0|3,0,0]=4 112 B10R1.13 CN(C)C1=NC=C(C=C1)N PI-33882 [0,1,0,0,0,0|3,0,0]=4 113 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 PI-41877 [0,1,0,0,0,0|2,0,1]=4 114 B10R1.13 Cc1ccc(cn1)C(=O)O PI-16698 [0,1,0,0,0,0|2,0,0]=3 115 B10R1.13 Cc1cnc(cn1)C(=O)O PI-16774 [0,1,0,0,0,0|1,0,0]=2 116 B10R1.13 Cc1ncc(cn1)C(=O)O PI-36501 [0,1,0,0,0,0|3,0,0]=4 117 B10R1.13 ClC(=O)c1ccc(Cl)cc1 PI-34309 [0,1,0,0,0,0|3,0,0]=4 118 B10R1.13 ClC(=O)c1ccc(cc1)Br PI-11966 [0,1,0,0,0,0|3,0,0]=4 119 B10R1.13 ClC(=O)c1ccc(cc1)C PI-32402 [0,1,0,0,0,0|3,0,0]=4 120 B10R1.13 Clc1ccc(cn1)C(=O)Cl PI-12964 [0,1,0,0,0,0|2,0,0]=3 121 B10R1.13 Clc1ccc(cn1)[N+](=O)[O-] PI-23540 [0,1,0,0,0,0|3,0,0]=4 122 B10R1.13 Clc1ccc(nc1)[N+](=O)[O-] PI-10384 [0,1,0,0,0,0|3,0,0]=4 123 B10R1.13 Fc1ccc(cc1)C(=O)O PI-16490 [0,1,0,0,0,0|3,0,0]=4 124 B10R1.13 Fc1ccc(cn1)[N+](=O)[O-] PI-34426 [0,1,0,0,0,0|3,0,0]=4 125 B10R1.13 NC(=O)c1ccc(cc1)Br PI-30860 [0,1,0,0,0,0|3,0,0]=4 126 B10R1.13 Nc1ccc(cc1)C(=O)N PI-38043 [0,1,0,0,0,0|3,0,0]=4 127 B10R1.13 Nc1ccc(nc1)C(=O)N PI-36522 [0,1,0,0,0,0|2,0,0]=3 128 B10R1.13 Nc1ccc(nc1)C(=O)O PI-10173 [0,1,0,0,0,0|2,0,0]=3 129 B10R1.13 Nc1ccc(nc1)C(C)C PI-38600 [0,1,0,0,0,0|2,0,1]=4 130 B10R1.13 Nc1ccc(nc1)N(C)C PI-36330 [0,1,0,0,0,0|3,0,0]=4 131 B10R1.13 O=C(N)C1=CC=C(I)C=C1 PI-41985 [0,1,0,0,0,0|3,0,0]=4 132 B10R1.13 O=C(N)C1=CN=C(C)C=C1 PI-37349 [0,1,0,0,0,0|2,0,0]=3 133 B10R1.13 OC(=O)c1ccc(nn1)Cl PI-38350 [0,1,0,0,0,0|3,0,0]=4 134 B10R1.13 OC(=O)c1cnc(cn1)Cl PI-38333 [0,1,0,0,0,0|1,0,0]=2 135 B10R1.13 Oc1ccc(nn1)C(=O)O PI-14659 [0,1,0,0,0,0|3,0,0]=4 136 B10R1.15 BrCC(=O)c1ccccn1 PI-20524 [0,1,0,0,0,0|1,0,0]=2 137 B10R1.15 BrCC(=O)c1ccncc1 PI-20526 [0,1,0,0,0,0|3,0,0]=4 138 B10R1.15 C1=CC(=CN=C1)C(=NO)N PI-34835 [0,1,0,0,0,0|2,0,1]=4 139 B10R1.15 C1=CC(=CN=C1)C(=O)CBr PI-20525 [0,1,0,0,0,0|1,0,0]=2 140 B10R1.15 C1=CC=C(C=C1)C(=O)C#N PI-11000 [0,1,0,0,0,0|2,0,1]=4 141 B10R1.15 C1=CC=C(C=C1)C(=O)C=O PI-30054 [0,1,0,0,0,0|2,0,1]=4 142 B10R1.15 C1=CC=C(C=C1)C(=O)NO PI-10934 [0,1,0,0,0,0|3,0,0]=4 143 B10R1.15 C1=CC=NC(=C1)C(=O)NN PI-50236 [0,1,0,0,0,0|2,0,0]=3 144 B10R1.15 C1=CN=C(C=N1)C(=O)NN PI-35467 [0,1,0,0,0,0|1,0,0]=2 145 B10R1.15 CC(=NO)C1=CC=CC=C1 PI-29764 [0,1,0,0,0,0|2,0,1]=4 146 B10R1.15 CCC(=O)c1ccncc1 PI-36821 [0,1,0,0,0,0|3,0,0]=4 147 B10R1.15 CNC(=O)c1ccccc1 PI-29765 [0,1,0,0,0,0|2,0,0]=3 148 B10R1.15 COC(=N)C1=CC=CC=C1 PI-19741 [0,1,0,0,0,0|3,0,0]=4 149 B10R1.15 COC(=N)C1=CC=CC=N1 PI-46993 [0,1,0,0,0,0|2,0,0]=3 150 B10R1.15 COC(=O)C1=CN=CC=C1 PI-33274 [0,1,0,0,0,0|1,0,0]=2 151 B10R1.15 COC(=O)C1=NC=CC=N1 PI-42078 [0,1,0,0,0,0|2,0,0]=3 152 B10R1.15 COC(=O)C1=NC=CN=C1 PI-30782 [0,1,0,0,0,0|0,0,0]=1 153 B10R1.15 COC(=O)c1ccccn1 PI-33273 [0,1,0,0,0,0|1,0,0]=2 154 B10R1.15 COC(=O)c1ccncn1 PI-36498 [0,1,0,0,0,0|2,0,0]=3 155 B10R1.15 NCC(=O)c1ccccc1 PI-29691 [0,1,0,0,0,0|2,0,0]=3 156 B10R1.15 NNC(=O)c1cccnc1 PI-18681 [0,1,0,0,0,0|2,0,0]=3 157 B10R1.15 OCC(=O)c1ccccc1 PI-11851 [0,1,0,0,0,0|2,0,0]=3 158 B10R1.28 C1=CC(=CN=C1)S(=O)(=O)[O-] PI-46992 [0,1,0,0,0,0|3,0,0]=4 159 B10R1.28 CP(=O)(C1=CC=CC=C1)O PI-30611 [0,1,0,0,0,0|3,0,0]=4 160 B10R1.28 CS(=O)(=O)c1ccccc1 PI-24312 [0,1,0,0,0,0|3,0,0]=4 161 B10R1.28 C[Si](C)(C)C1=CC=CC=N1 PI-35345 [0,1,0,0,0,0|2,1,0]=4 162 B10R1.28 ClS(=O)(=O)c1cccnc1 PI-36817 [0,1,0,0,0,0|3,0,0]=4 163 B10R1.28 ClS(=O)(=O)c1cccnc1 PI-36890 [0,1,0,0,0,0|3,0,0]=4 164 B10R1.28 ClS(=O)(=O)c1nccnc1 PI-36830 [0,1,0,0,0,0|2,0,0]=3 165 B10R1.28 OS(=O)(=O)c1cccnc1 PI-33168 [0,1,0,0,0,0|3,0,0]=4 166 B10R1.61 C1=C(C(=NC=N1)N)C(=O)O PI-42082 [0,1,0,0,0,0|3,0,0]=4 167 B10R1.61 C1=CC(=C(N=C1)Br)C(=O)N PI-34520 [0,1,0,0,0,0|2,0,0]=3 168 B10R1.61 C1=CC(=C(N=C1)Br)C(=O)O PI-28439 [0,1,0,0,0,0|2,0,0]=3 169 B10R1.61 C1=CC(=C(N=C1)Br)[N+](=O)[O-] PI-28253 [0,1,0,0,0,0|3,0,0]=4 170 B10R1.61 C1=CC(=C(N=C1)Cl)C(=O)Cl PI-16729 [0,1,0,0,0,0|2,0,0]=3 171 B10R1.61 C1=CC(=C(N=C1)Cl)C(=O)N PI-24027 [0,1,0,0,0,0|2,0,0]=3 172 B10R1.61 C1=CC(=C(N=C1)N)[N+](=O)[O-] PI-10379 [0,1,0,0,0,0|3,0,0]=4 173 B10R1.61 C1=CC(=C(N=C1)[N+](=O)[O-])O PI-10087 [0,1,0,0,0,0|3,0,0]=4 174 B10R1.61 C1=CC=C(C(=C1)C(=O)N)Br PI-20527 [0,1,0,0,0,0|3,0,0]=4 175 B10R1.61 C1=CC=C(C(=C1)C(=O)N)Cl PI-23128 [0,1,0,0,0,0|3,0,0]=4 176 B10R1.61 C1=CC=C(C(=C1)C(=O)N)F PI-27598 [0,1,0,0,0,0|3,0,0]=4 177 B10R1.61 C1=CC=C(C(=C1)C(=O)O)I PI-18960 [0,1,0,0,0,0|3,0,0]=4 178 B10R1.61 C1=CC=C(C(=C1)C(=O)O)S PI-40146 [0,1,0,0,0,0|3,0,0]=4 179 B10R1.61 C1=CC=C(C(=C1)C(=O)[O-])F PI-28576 [0,1,0,0,0,0|3,0,0]=4 180 B10R1.61 C1=CN=C(C(=O)N1)C(=O)[NH-] PI-49791 [0,1,0,0,0,0|1,0,1]=3 181 B10R1.61 C1=CN=CC(=C1Br)C(=O)O PI-42057 [0,1,0,0,0,0|2,0,0]=3 182 B10R1.61 C1=CN=CC(=C1N)[N+](=O)[O-] PI-16571 [0,1,0,0,0,0|3,0,0]=4 183 B10R1.61 C1=CNC(=S)C(=C1)C(=O)O PI-16712 [0,1,0,0,0,0|2,0,1]=4 184 B10R1.61 C1=CNC=C(C1=O)C(=O)O PI-32174 [0,1,0,0,0,0|2,0,1]=4 185 B10R1.61 CC(=O)C1=C(C=NC=C1)N PI-48174 [0,1,0,0,0,0|3,0,0]=4 186 B10R1.61 CC(=O)C1=CC=CC=C1Br PI-12211 [0,1,0,0,0,0|2,0,0]=3 187 B10R1.61 CC(=O)C1=CC=CC=C1Cl PI-11622 [0,1,0,0,0,0|2,0,0]=3 188 B10R1.61 CC(=O)C1=CC=CC=C1F PI-16975 [0,1,0,0,0,0|2,0,0]=3 189 B10R1.61 CC(=O)C1=CC=CC=C1N PI-29399 [0,1,0,0,0,0|2,0,0]=3 190 B10R1.61 CC(=O)c1ccccc1I PI-29345 [0,1,0,0,0,0|2,0,0]=3 191 B10R1.61 CC(=O)c1ccccc1N PI-11796 [0,1,0,0,0,0|2,0,0]=3 192 B10R1.61 CC1=C(C=NC=C1)C(=O)O PI-48296 [0,1,0,0,0,0|2,0,0]=3 193 B10R1.61 CC1=C(C=NC=C1)[N+](=O)[O-] PI-10377 [0,1,0,0,0,0|3,0,0]=4 194 B10R1.61 CC1=CC=CC=C1C(=O)C PI-12963 [0,1,0,0,0,0|2,0,0]=3 195 B10R1.61 CC1=CC=CC=C1C(=O)Cl PI-34221 [0,1,0,0,0,0|3,0,0]=4 196 B10R1.61 CC1=NC=CN=C1C(=O)C PI-11038 [0,1,0,0,0,0|0,0,0]=1 197 B10R1.61 CN(C)C1=NC=CN=C1Cl PI-46715 [0,1,0,0,0,0|2,0,0]=3 198 B10R1.61 ClC(=O)c1ccccc1F PI-11847 [0,1,0,0,0,0|3,0,0]=4 199 B10R1.61 NC(=O)c1nccnc1N PI-38832 [0,1,0,0,0,0|1,0,0]=2 200 B10R1.61 NC(=O)c1nccnc1O PI-38271 [0,1,0,0,0,0|1,0,0]=2 201 B10R1.61 O=[N+](C1=C(Br)C=CN=C1)[O-] PI-37164 [0,1,0,0,0,0|3,0,0]=4 202 B10R1.61 O=[N+](C1=CC=CN=C1F)[O-] PI-37086 [0,1,0,0,0,0|3,0,0]=4 203 B10R1.61 OC(=O)c1ccccc1F PI-16976 [0,1,0,0,0,0|3,0,0]=4 204 B10R1.61 OC(=O)c1cccnc1Cl PI-31141 [0,1,0,0,0,0|2,0,0]=3 205 B10R1.61 OC(=O)c1cccnc1F PI-16387 [0,1,0,0,0,0|2,0,0]=3 206 B10R1.61 OC(=O)c1cccnc1N PI-31221 [0,1,0,0,0,0|2,0,0]=3 207 B10R1.61 OC(=O)c1cccnc1O PI-16700 [0,1,0,0,0,0|2,0,0]=3 208 B10R1.61 OC(=O)c1cnccc1Cl PI-24019 [0,1,0,0,0,0|2,0,0]=3 209 B10R1.61 OC(=O)c1cnccc1N PI-10029 [0,1,0,0,0,0|2,0,0]=3 210 B10R1.61 OC(=O)c1ncccc1Br PI-28360 [0,1,0,0,0,0|2,0,0]=3 211 B10R1.61 OC(=O)c1ncccc1Cl PI-34714 [0,1,0,0,0,0|2,0,0]=3 212 B10R1.61 OC(=O)c1ncccc1F PI-34434 [0,1,0,0,0,0|2,0,0]=3 213 B10R1.61 OC(=O)c1ncccc1N PI-14129 [0,1,0,0,0,0|2,0,0]=3 214 B10R1.61 OC(=O)c1ncccc1O PI-16553 [0,1,0,0,0,0|2,0,0]=3 215 B10R1.61 OC(=O)c1nccnc1Cl PI-29423 [0,1,0,0,0,0|1,0,0]=2 216 B10R1.61 OC(=O)c1nccnc1O PI-29323 [0,1,0,0,0,0|1,0,0]=2 217 B10R1.61 [O-][N+](=O)c1cccnc1C PI-31380 [0,1,0,0,0,0|3,0,0]=4 218 B10R1.61 [O-][N+](=O)c1cccnc1Cl PI-25662 [0,1,0,0,0,0|3,0,0]=4 219 B10R1.61 [O-][N+](=O)c1cccnc1O PI-10109 [0,1,0,0,0,0|3,0,0]=4 220 B10R1.61 [O-][N+](=O)c1cccnc1S PI-36518 [0,1,0,0,0,0|3,0,0]=4 221 B10R1.61 [O-][N+](=O)c1cnccc1Cl PI-16715 [0,1,0,0,0,0|3,0,0]=4 222 B10R1.61 [O-][N+](=O)c1cnccc1Cl PI-24477 [0,1,0,0,0,0|3,0,0]=4 223 B10R1.61 [O-][N+](=O)c1ncccc1Br PI-35802 [0,1,0,0,0,0|3,0,0]=4 224 B10R1.61 [O-][N+](=O)c1ncccc1N PI-16570 [0,1,0,0,0,0|3,0,0]=4 225 B10R1.113 Brc1cccc(c1)C(=O)Cl PI-11911 [0,1,0,0,0,0|3,0,0]=4 226 B10R1.113 Brc1cccc(c1)C(=O)O PI-12741 [0,1,0,0,0,0|3,0,0]=4 227 B10R1.113 Brc1cccc(n1)C(=O)O PI-16042 [0,1,0,0,0,0|2,0,0]=3 228 B10R1.113 C1=C(C=NC=C1Br)C(=O)O PI-22834 [0,1,0,0,0,0|2,0,0]=3 229 B10R1.113 C1=C(C=NC=C1Cl)C(=O)O PI-13096 [0,1,0,0,0,0|2,0,0]=3 230 B10R1.113 C1=C(C=NC=C1F)C(=O)O PI-19548 [0,1,0,0,0,0|2,0,0]=3 231 B10R1.113 C1=C(C=NC=C1N)C(=O)O PI-10028 [0,1,0,0,0,0|2,0,0]=3 232 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)Cl PI-12189 [0,1,0,0,0,0|3,0,0]=4 233 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)N PI-23129 [0,1,0,0,0,0|3,0,0]=4 234 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)O PI-34230 [0,1,0,0,0,0|3,0,0]=4 235 B10R1.113 C1=CC(=CC(=C1)F)C(=O)Cl PI-12124 [0,1,0,0,0,0|3,0,0]=4 236 B10R1.113 C1=CC(=CC(=C1)F)C(=O)O PI-10427 [0,1,0,0,0,0|3,0,0]=4 237 B10R1.113 C1=CC(=CC(=C1)F)C(=O)[O-] PI-28584 [0,1,0,0,0,0|3,0,0]=4 238 B10R1.113 C1=CC(=C[N+](=C1)[O-])C(=O)N PI-14714 [0,1,0,0,0,0|2,0,1]=4 239 B10R1.113 C1=CC(=NC(=C1)N)C(=O)O PI-24258 [0,1,0,0,0,0|2,0,0]=3 240 B10R1.113 C1=CN=C(C=C1Br)C(=O)O PI-35911 [0,1,0,0,0,0|2,0,0]=3 241 B10R1.113 C1=CN=C(C=C1Cl)C(=O)Cl PI-33856 [0,1,0,0,0,0|2,0,0]=3 242 B10R1.113 C1=CN=C(C=C1Cl)C(=O)O PI-34707 [0,1,0,0,0,0|2,0,0]=3 243 B10R1.113 C1=CN=C(C=C1F)[N+](=O)[O-] PI-34880 [0,1,0,0,0,0|3,0,0]=4 244 B10R1.113 C1=CN=C(N=C1C(=O)O)Cl PI-41170 [0,1,0,0,0,0|3,0,0]=4 245 B10R1.113 C1=CNC(=CC1=O)C(=O)O PI-34877 [0,1,0,0,0,0|2,0,1]=4 246 B10R1.113 CC(=O)C1=CC(=CC=C1)I PI-29141 [0,1,0,0,0,0|2,0,0]=3 247 B10R1.113 CC(=O)C1=CC(=CN=C1)Br PI-26605 [0,1,0,0,0,0|1,0,0]=2 248 B10R1.113 CC(C)C1=NC(=CC=C1)Cl PI-31678 [0,1,0,0,0,0|2,0,1]=4 249 B10R1.113 CC1=CC(=CC=C1)C(=O)C PI-10859 [0,1,0,0,0,0|2,0,0]=3 250 B10R1.113 CC1=CC(=CN=C1)C(=O)O PI-13102 [0,1,0,0,0,0|2,0,0]=3 251 B10R1.113 CC1=NC(=CC=C1)C(=O)O PI-31796 [0,1,0,0,0,0|2,0,0]=3 252 B10R1.113 CC1=NC(=CC=C1)[N+](=O)[O-] PI-28224 [0,1,0,0,0,0|3,0,0]=4 253 B10R1.113 CC1=NC=CC(C(C)=O)=C1 PI-46770 [0,1,0,0,0,0|3,0,0]=4 254 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N PI-17447 [0,1,0,0,0,0|2,0,1]=4 255 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)O PI-17996 [0,1,0,0,0,0|2,0,1]=4 256 B10R1.113 C[n+]1cccc(c1)C(=O)[O-] PI-39076 [0,1,0,0,0,0|2,0,1]=4 257 B10R1.113 Cc1nccc(n1)C(=O)O PI-36794 [0,1,0,0,0,0|3,0,0]=4 258 B10R1.113 Cc1ncnc(c1)C(=O)C PI-35999 [0,1,0,0,0,0|2,0,0]=3 259 B10R1.113 Clc1cccc(n1)C(=O)O PI-10178 [0,1,0,0,0,0|2,0,0]=3 260 B10R1.113 Clc1nccc(c1)C(=O)C PI-38296 [0,1,0,0,0,0|3,0,0]=4 261 B10R1.113 Fc1cccc(c1)C(=O)C PI-28549 [0,1,0,0,0,0|2,0,0]=3 262 B10R1.113 Fc1cccc(n1)C(=O)O PI-34433 [0,1,0,0,0,0|2,0,0]=3 263 B10R1.113 Ic1cccc(c1)C(=O)O PI-12091 [0,1,0,0,0,0|3,0,0]=4 264 B10R1.113 NC(=O)c1cc(Br)cnc1 PI-30430 [0,1,0,0,0,0|2,0,0]=3 265 B10R1.113 Nc1cccc(c1)C(=O)C PI-32567 [0,1,0,0,0,0|2,0,0]=3 266 B10R1.113 Nc1cccc(c1)C(=O)N PI-30514 [0,1,0,0,0,0|3,0,0]=4 267 B10R1.113 O=C(C1=CC(C=CO1)=O)O PI-40052 [0,1,0,0,0,0|3,0,0]=4 268 B10R1.113 O=C(C1=NC(Cl)=CN=C1)O PI-37167 [0,1,0,0,0,0|1,0,0]=2 269 B10R1.113 O=[N+](C1=CC=CC(Br)=N1)[O-] PI-37150 [0,1,0,0,0,0|3,0,0]=4 270 B10R1.113 O=[N+](C1=CC=CC(Cl)=N1)[O-] PI-37415 [0,1,0,0,0,0|3,0,0]=4 271 B10R1.113 O=[N+](C1=CN=CC(Br)=C1)[O-] PI-37100 [0,1,0,0,0,0|3,0,0]=4 272 B10R1.113 OC(=O)c1cc(Cl)nnc1 PI-38264 [0,1,0,0,0,0|3,0,0]=4 273 B10R1.113 OC(=O)c1cccc(O)n1 PI-16038 [0,1,0,0,0,0|2,0,0]=3 274 B10R1.113 Oc1cccc(c1)C(=O)C PI-31363 [0,1,0,0,0,0|2,0,0]=3 275 B10R1.113 Oc1cccc(c1)C(=O)N PI-30785 [0,1,0,0,0,0|3,0,0]=4 276 B10R1.113 Oc1cccc(c1)C(=O)O PI-33399 [0,1,0,0,0,0|3,0,0]=4 277 B10R1.113 Oc1cncc(c1)C(=O)O PI-10172 [0,1,0,0,0,0|2,0,0]=3 278 B10R1.113 Oc1ncnc(c1)C(=O)O PI-31803 [0,1,0,0,0,0|3,0,0]=4 279 B10R1.113 [O-][N+](=O)c1cc(C)ccn1 PI-28226 [0,1,0,0,0,0|3,0,0]=4 280 B10R2.320 C1=CC=CC2=C1CC2=O PI-40938 [0,0,0,1,0,0|2,0,0]=3 281 B8R1.7 C1=C(C=NO1)C(=O)O PI-14897 [0,0,0,0,1,0|2,0,0]=3 282 B8R1.7 C1=C(N=NS1)C(=O)O PI-28513 [0,0,0,0,1,0|3,0,0]=4 283 B8R1.7 C1=C(NC=N1)C(=O)O PI-31349 [0,0,0,0,1,0|1,0,1]=3 284 B8R1.7 C1=C(NC=N1)[N+](=O)[O-] PI-31145 [0,0,0,0,1,0|2,0,1]=4 285 B8R1.7 C1=C(ON=C1)C(=O)Cl PI-29789 [0,0,0,0,1,0|2,0,0]=3 286 B8R1.7 C1=C(SC=N1)C(=O)O PI-25160 [0,0,0,0,1,0|2,0,0]=3 287 B8R1.7 C1=CN=C(N1)C(=O)O PI-40003 [0,0,0,0,1,0|1,0,1]=3 288 B8R1.7 C1=CNC=C1C(=O)O PI-34087 [0,0,0,0,1,0|1,0,1]=3 289 B8R1.7 C1=CNC=C1C(=O)O PI-48299 [0,0,0,0,1,0|1,0,1]=3 290 B8R1.7 C1=COC(=C1)C(=O)N PI-17349 [0,0,0,0,1,0|2,0,0]=3 291 B8R1.7 C1=COC=C1C(=N)N PI-19708 [0,0,0,0,1,0|3,0,0]=4 292 B8R1.7 C1=COC=C1C(=O)Cl PI-46981 [0,0,0,0,1,0|2,0,0]=3 293 B8R1.7 C1=COC=C1C(=O)O PI-16502 [0,0,0,0,1,0|2,0,0]=3 294 B8R1.7 C1=COC=C1C(=S)N PI-19750 [0,0,0,0,1,0|2,1,0]=4 295 B8R1.7 C1=CON=C1C(=O)O PI-48871 [0,0,0,0,1,0|2,0,0]=3 296 B8R1.7 C1=CSC(=C1)C(=N)N PI-29689 [0,0,0,0,1,0|3,0,0]=4 297 B8R1.7 C1=CSC(=C1)C(=O)N PI-50586 [0,0,0,0,1,0|2,0,0]=3 298 B8R1.7 C1=CSC(=C1)C(=O)[O-] PI-11153 [0,0,0,0,1,0|2,0,0]=3 299 B8R1.7 C1=CSC(=C1)[N+](=O)[O-] PI-10995 [0,0,0,0,1,0|3,0,0]=4 300 B8R1.7 C1=CSC(=N1)C(=N)N PI-45383 [0,0,0,0,1,0|3,0,0]=4 301 B8R1.7 C1=CSC(=N1)C(C)=O PI-11117 [0,0,0,0,1,0|1,0,0]=2 302 B8R1.7 C1=N[NH]C=C1[N+]([O-])=O PI-40000 [0,0,0,0,1,0|3,0,0]=4 303 B8R1.7 CC(=O)C1=CC=CN1 PI-12083 [0,0,0,0,1,0|0,0,1]=2 304 B8R1.7 CC(=O)C1=CC=NN1 PI-44747 [0,0,0,0,1,0|1,0,0]=2 305 B8R1.7 CC(=O)C1=CN=CN1 PI-45218 [0,0,0,0,1,0|0,0,1]=2 306 B8R1.7 CC(=O)C1=CN=CN1 PI-45286 [0,0,0,0,1,0|0,0,1]=2 307 B8R1.7 CC(=O)C1=NCCS1 PI-42267 [0,0,0,0,1,0|1,0,2]=4 308 B8R1.7 CC(=O)c1cscc1 PI-16499 [0,0,0,0,1,0|1,0,0]=2 309 B8R1.7 CC(=O)n1cncc1 PI-31807 [0,0,0,0,1,0|1,0,0]=2 310 B8R1.7 CC(C)C1=NC=CN1 PI-31819 [0,0,0,0,1,0|1,0,2]=4 311 B8R1.7 CC(C)n1cncc1 PI-31687 [0,0,0,0,1,0|2,0,1]=4 312 B8R1.7 CC(C1=CC=CS1)O PI-12508 [0,0,0,0,1,0|1,0,2]=4 313 B8R1.7 CC(C1=CC=C[CH-]1)O PI-44457 [0,0,0,0,1,0|1,0,2]=4 314 B8R1.7 CC(C1=NC=CN1)=O PI-39737 [0,0,0,0,1,0|0,0,1]=2 315 B8R1.7 CC(N)C1=CC=CS1 PI-40007 [0,0,0,0,1,0|2,0,1]=4 316 B8R1.7 CC(c1cc[nH]n1)C PI-34763 [0,0,0,0,1,0|2,0,1]=4 317 B8R1.7 C[C@@H](O)c1cccs1 PI-12507 [0,0,0,0,1,0|1,0,2]=4 318 B8R1.7 ClC(=O)c1cscc1 PI-10762 [0,0,0,0,1,0|2,0,0]=3 319 B8R1.7 NC(=N)n1cccn1 PI-16548 [0,0,0,0,1,0|3,0,0]=4 320 B8R1.7 NC(=O)c1ncn[nH]1 PI-10146 [0,0,0,0,1,0|2,0,0]=3 321 B8R1.7 NC(=S)c1ccco1 PI-19230 [0,0,0,0,1,0|2,1,0]=4 322 B8R1.7 NC(=S)c1cccs1 PI-39110 [0,0,0,0,1,0|2,1,0]=4 323 B8R1.7 NC(=S)c1cscc1 PI-29381 [0,0,0,0,1,0|2,1,0]=4 324 B8R1.7 OC(=O)C1=CNN=N1 PI-40359 [0,0,0,0,1,0|2,0,1]=4 325 B8R1.7 OC(=O)c1c[nH]nc1 PI-32193 [0,0,0,0,1,0|2,0,0]=3 326 B8R1.7 OC(=O)c1cc[nH]n1 PI-34779 [0,0,0,0,1,0|2,0,0]=3 327 B8R1.7 OC(=O)c1ccc[nH]1 PI-27813 [0,0,0,0,1,0|1,0,1]=3 328 B8R1.7 OC(=O)c1cccs1 PI-38239 [0,0,0,0,1,0|2,0,0]=3 329 B8R1.7 OC(=O)c1ccno1 PI-29335 [0,0,0,0,1,0|2,0,0]=3 330 B8R1.7 OC(=O)c1cocn1 PI-43182 [0,0,0,0,1,0|2,0,0]=3 331 B8R1.7 OC(=O)c1cscc1 PI-10764 [0,0,0,0,1,0|2,0,0]=3 332 B8R1.7 OC(=O)c1cscn1 PI-28011 [0,0,0,0,1,0|2,0,0]=3 333 B8R1.7 OC(=O)c1n[nH]cn1 PI-10407 [0,0,0,0,1,0|2,0,0]=3 334 B8R1.7 [O-][N+](=O)c1cc[nH]n1 PI-36856 [0,0,0,0,1,0|3,0,0]=4 335 B8R1.7 [O-][N+](=O)c1n[nH]cn1 PI-31126 [0,0,0,0,1,0|3,0,0]=4 336 B8R1.7 [O-][N+](=O)c1ncc[nH]1 PI-10202 [0,0,0,0,1,0|2,0,1]=4 337 B8R1.7 [O-][N+](=O)n1cccn1 PI-16557 [0,0,0,0,1,0|3,0,0]=4 338 B10R1.18 C1=CC(=CN=C1)CC(=O)O PI-13521 [0,0,0,0,0,1|2,0,0]=3 339 B10R1.18 C1=CC(=CN=C1)CC(=O)O PI-16758 [0,0,0,0,0,1|2,0,0]=3 340 B10R1.18 C1=CC=C(C=C1)OC(=O)N PI-10948 [0,0,0,0,0,1|3,0,0]=4 341 B10R1.18 C1=CC=NC(=C1)CC(=O)O PI-16725 [0,0,0,0,0,1|2,0,0]=3 342 B10R1.18 CC(=CC1=CC=CC=C1)C PI-47118 [0,0,0,0,0,1|3,0,0]=4 343 B10R1.18 CC(=O)CC1=CC=NC=C1 PI-24530 [0,0,0,0,0,1|3,0,0]=4 344 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 PI-17935 [0,0,0,0,0,1|3,0,0]=4 345 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 PI-30609 [0,0,0,0,0,1|3,0,0]=4 346 B10R1.18 CC(=O)NC1=NC=CC=N1 PI-44088 [0,0,0,0,0,1|2,0,0]=3 347 B10R1.18 CC(CC1=NC=CC=C1)=O PI-41787 [0,0,0,0,0,1|1,0,0]=2 348 B10R1.18 CC(Cc1ccccn1)C PI-13337 [0,0,0,0,0,1|2,0,1]=4 349 B10R1.18 OC(=O)Cc1cccnc1 PI-28588 [0,0,0,0,0,1|2,0,0]=3 350 B10R1.18 OC(=O)Cc1cncnc1 PI-32944 [0,0,0,0,0,1|3,0,0]=4 351 B7R0.4 CC=CC=CC(=O)[O-] PI-15818 [1,0,1,0,0,0|2,0,0]=4 352 B7R1.3 Brc1cccnc1 PI-11914 [2,0,0,0,0,0|2,0,0]=4 353 B7R1.3 C1=CC(=CN=C1)I PI-11390 [2,0,0,0,0,0|2,0,0]=4 354 B7R1.3 C1=CC(=CN=C1)O PI-44714 [2,0,0,0,0,0|1,0,1]=4 355 B7R1.3 C1=CC(=CN=C1)[O-] PI-42109 [2,0,0,0,0,0|1,0,1]=4 356 B7R1.3 C1=CC(=O)NC=C1 PI-13304 [2,0,0,0,0,0|1,0,1]=4 357 B7R1.3 C1=CC(=O)NC=C1 PI-49120 [2,0,0,0,0,0|1,0,1]=4 358 B7R1.3 C1=CC(=O)OC=C1 PI-46989 [2,0,0,0,0,0|2,0,0]=4 359 B7R1.3 C1=CC=NC(=C1)I PI-32173 [2,0,0,0,0,0|2,0,0]=4 360 B7R1.3 C1=CN=C(C=N1)Br PI-47341 [2,0,0,0,0,0|1,0,0]=3 361 B7R1.3 C1=CN=C(C=N1)Cl PI-11831 [2,0,0,0,0,0|1,0,0]=3 362 B7R1.3 C1=CN=CC(=S)N1 PI-45037 [2,0,0,0,0,0|0,1,1]=4 363 B7R1.3 C1=CNC(=O)N=C1 PI-32626 [2,0,0,0,0,0|2,0,0]=4 364 B7R1.3 C1=CNC(=O)N=C1 PI-33107 [2,0,0,0,0,0|2,0,0]=4 365 B7R1.3 CC1=CC=CC=N1 PI-38534 [2,0,0,0,0,0|1,0,0]=3 366 B7R1.3 CC1=CN=CN=C1 PI-21343 [2,0,0,0,0,0|2,0,0]=4 367 B7R1.3 CC1=CN=NC=C1 PI-31701 [2,0,0,0,0,0|2,0,0]=4 368 B7R1.3 CC1=NC=CN=C1 PI-48495 [2,0,0,0,0,0|0,0,0]=2 369 B7R1.3 Cc1ncccn1 PI-35192 [2,0,0,0,0,0|2,0,0]=4 370 B7R1.3 Clc1cccnc1 PI-11921 [2,0,0,0,0,0|2,0,0]=4 371 B7R1.3 Fc1ccccn1 PI-11583 [2,0,0,0,0,0|2,0,0]=4 372 B7R1.3 Fc1cccnc1 PI-16759 [2,0,0,0,0,0|2,0,0]=4 373 B7R1.3 Ic1cnccn1 PI-38885 [2,0,0,0,0,0|1,0,0]=3 374 B7R1.3 Nc1cnccn1 PI-29636 [2,0,0,0,0,0|1,0,0]=3 375 B7R1.3 O=C1C=CC=NN1 PI-40006 [2,0,0,0,0,0|2,0,0]=4 376 B9R1.1 BrC1=NC=C(N=C1)OC PI-35953 [1,1,0,0,0,0|1,0,0]=3 377 B9R1.1 C1=CC(=CC=C1C=O)Cl PI-34386 [1,1,0,0,0,0|2,0,0]=4 378 B9R1.1 C1=CC(=CC=C1C=O)F PI-33068 [1,1,0,0,0,0|2,0,0]=4 379 B9R1.1 C1=CC(=NC=C1C=O)Br PI-35910 [1,1,0,0,0,0|1,0,0]=3 380 B9R1.1 C1=CC(=NC=C1C=O)Cl PI-41221 [1,1,0,0,0,0|1,0,0]=3 381 B9R1.1 C1=CC(=NC=C1O)C=O PI-40986 [1,1,0,0,0,0|1,0,0]=3 382 B9R1.1 C=Cc1ccc(nc1)C PI-38680 [1,1,0,0,0,0|1,0,1]=4 383 B9R1.1 CC1=CN=C(C=N1)CN PI-48153 [1,1,0,0,0,0|1,0,1]=4 384 B9R1.1 CC1=NC=C(C=C1)C=O PI-48154 [1,1,0,0,0,0|1,0,0]=3 385 B9R1.1 CNC1=CN=C(C=C1)Cl PI-45925 [1,1,0,0,0,0|2,0,0]=4 386 B9R1.1 CNC1=NC=C(Br)C=C1 PI-46679 [1,1,0,0,0,0|2,0,0]=4 387 B9R1.1 COC1=CN=C(C=C1)Br PI-45881 [1,1,0,0,0,0|2,0,0]=4 388 B9R1.1 COC1=NC=C(C=C1)F PI-16766 [1,1,0,0,0,0|2,0,0]=4 389 B9R1.1 COc1ccc(N)cn1 PI-16695 [1,1,0,0,0,0|2,0,0]=4 390 B9R1.1 COc1ccc(O)cn1 PI-26700 [1,1,0,0,0,0|2,0,0]=4 391 B9R1.1 COc1ccc(cn1)Br PI-22840 [1,1,0,0,0,0|2,0,0]=4 392 B9R1.1 CSC1=CN=C(C=N1)Br PI-48220 [1,1,0,0,0,0|1,0,0]=3 393 B9R1.1 ClC1=NC=C(N=C1)C#N PI-41865 [1,1,0,0,0,0|1,0,1]=4 394 B9R1.1 N#CC1=NC=C(N)N=C1 PI-37017 [1,1,0,0,0,0|1,0,1]=4 395 B9R1.1 O=CC1=CC=C(N)N=C1 PI-37351 [1,1,0,0,0,0|1,0,0]=3 396 B9R1.1 O=CC1=NC=C(F)C=C1 PI-37201 [1,1,0,0,0,0|1,0,0]=3 397 B9R1.1 O=Cc1ccc(Br)cc1 PI-12729 [1,1,0,0,0,0|2,0,0]=4 398 B9R1.1 O=Cc1ccc(cc1)I PI-27209 [1,1,0,0,0,0|2,0,0]=4 399 B9R1.1 O=Cc1ccc(cc1)O PI-37802 [1,1,0,0,0,0|2,0,0]=4 400 B9R1.1 O=Cc1cnc(N)nc1 PI-34787 [1,1,0,0,0,0|2,0,0]=4 401 B9R1.1 OCc1cnc(cn1)Cl PI-39045 [1,1,0,0,0,0|0,0,2]=4 402 B9R1.2 Brc1cc(C=O)ncc1 PI-38308 [1,1,0,0,0,0|1,0,0]=3 403 B9R1.2 Brc1cncc(n1)C#N PI-34860 [1,1,0,0,0,0|1,0,1]=4 404 B9R1.2 C1=C(N=C(C=N1)Cl)NN PI-50493 [1,1,0,0,0,0|2,0,0]=4 405 B9R1.2 C1=CC(=CC(=C1)I)C=O PI-27854 [1,1,0,0,0,0|2,0,0]=4 406 B9R1.2 C1=CC(=CC(=C1)N)C=O PI-27126 [1,1,0,0,0,0|2,0,0]=4 407 B9R1.2 C1=CC(=NC(=C1)Br)C=O PI-21494 [1,1,0,0,0,0|1,0,0]=3 408 B9R1.2 CC1=CC(=CC=C1)C=O PI-11938 [1,1,0,0,0,0|2,0,0]=4 409 B9R1.2 CC1=CC(=CN=C1)C=O PI-43924 [1,1,0,0,0,0|1,0,0]=3 410 B9R1.2 CC1=NC(=CC=C1)C=C PI-27081 [1,1,0,0,0,0|1,0,1]=4 411 B9R1.2 CC1=NC(=CC=C1)C=O PI-16691 [1,1,0,0,0,0|1,0,0]=3 412 B9R1.2 CC1=NC(=CC=C1)OC PI-10858 [1,1,0,0,0,0|2,0,0]=4 413 B9R1.2 CCc1cccc(N)n1 PI-30318 [1,1,0,0,0,0|1,0,1]=4 414 B9R1.2 COC1=NC(=CC=C1)Br PI-34471 [1,1,0,0,0,0|2,0,0]=4 415 B9R1.2 COC1=NC=CC(=C1)I PI-36520 [1,1,0,0,0,0|2,0,0]=4 416 B9R1.2 COc1cc(Br)cnc1 PI-38259 [1,1,0,0,0,0|2,0,0]=4 417 B9R1.2 COc1cc(Cl)ccn1 PI-26867 [1,1,0,0,0,0|2,0,0]=4 418 B9R1.2 COc1cc(N)ccn1 PI-26277 [1,1,0,0,0,0|2,0,0]=4 419 B9R1.2 COc1cc(N)cnc1 PI-33855 [1,1,0,0,0,0|2,0,0]=4 420 B9R1.2 Clc1cc(C=O)ncc1 PI-39303 [1,1,0,0,0,0|1,0,0]=3 421 B9R1.2 FC1=NC(=CC=C1)C=O PI-39667 [1,1,0,0,0,0|1,0,0]=3 422 B9R1.2 O=Cc1cccc(c1)Br PI-34503 [1,1,0,0,0,0|2,0,0]=4 423 B9R1.2 O=Cc1cccc(c1)Cl PI-27742 [1,1,0,0,0,0|2,0,0]=4 424 B9R1.2 O=Cc1cccc(c1)F PI-11925 [1,1,0,0,0,0|2,0,0]=4 425 B9R1.2 O=Cc1cccc(c1)N PI-11906 [1,1,0,0,0,0|2,0,0]=4 426 B9R1.2 O=Cc1cccc(c1)O PI-34273 [1,1,0,0,0,0|2,0,0]=4 427 B9R1.2 O=Cc1ccnc(C)n1 PI-33598 [1,1,0,0,0,0|2,0,0]=4 428 B9R1.8 C1=CC(=CN=C1)CCO PI-20772 [1,1,0,0,0,0|1,0,1]=4 429 B9R1.8 C1=CC=NC(=C1)CCN PI-33890 [1,1,0,0,0,0|1,0,1]=4 430 B9R1.8 C1=CN=C(C=N1)CCS PI-48496 [1,1,0,0,0,0|0,0,1]=3 431 B9R1.8 CCCC1=CC=CC=N1 PI-13326 [1,1,0,0,0,0|1,0,1]=4 432 B9R1.8 CCOC1=CC=CC=N1 PI-16377 [1,1,0,0,0,0|1,0,1]=4 433 B9R1.8 CCOC1=NC=CN=C1 PI-11039 [1,1,0,0,0,0|0,0,1]=3 434 B9R1.8 CNCC1=CC=CN=C1 PI-46624 [1,1,0,0,0,0|1,0,1]=4 435 B9R1.8 COCc1ccccn1 PI-38670 [1,1,0,0,0,0|1,0,1]=4 436 B9R1.8 C\C=C\C1=CC=CC=C1 PI-42685 [1,1,0,0,0,0|2,0,0]=4 437 B9R1.8 C\C=C\C1=CC=CC=C1 PI-46536 [1,1,0,0,0,0|2,0,0]=4 438 B9R1.8 NCCc1cccnc1 PI-23439 [1,1,0,0,0,0|1,0,1]=4 439 B9R1.8 O=C=Nc1cccnc1 PI-38566 [1,1,0,0,0,0|1,0,1]=4 440 B9R1.8 O\N=C\c1ccccn1 PI-38007 [1,1,0,0,0,0|1,0,1]=4 441 B9R1.15 BrC1=NC=CC=C1C=O PI-39999 [1,1,0,0,0,0|1,0,0]=3 442 B9R1.15 C1=CC(=C(N=C1)C=O)O PI-20863 [1,1,0,0,0,0|1,0,0]=3 443 B9R1.15 C1=CC(=C(N=C1)Cl)C=O PI-34991 [1,1,0,0,0,0|1,0,0]=3 444 B9R1.15 C1=CC(=C(N=C1)F)C=O PI-39564 [1,1,0,0,0,0|1,0,0]=3 445 B9R1.15 C1=CC=C(C(=C1)C=O)Br PI-11807 [1,1,0,0,0,0|2,0,0]=4 446 B9R1.15 C1=CN=C(C(=N1)C#N)Cl PI-23703 [1,1,0,0,0,0|1,0,1]=4 447 B9R1.15 C1=CN=C(C(=N1)NN)Cl PI-50492 [1,1,0,0,0,0|2,0,0]=4 448 B9R1.15 C1=CN=CC(=C1N)C=O PI-14094 [1,1,0,0,0,0|1,0,0]=3 449 B9R1.15 CC1=CC=CC=C1C=O PI-27677 [1,1,0,0,0,0|2,0,0]=4 450 B9R1.15 CC1=NC=CN=C1SC PI-11047 [1,1,0,0,0,0|1,0,0]=3 451 B9R1.15 CCC1=NC=CN=C1C PI-11842 [1,1,0,0,0,0|0,0,1]=3 452 B9R1.15 CCc1nccnc1C PI-11841 [1,1,0,0,0,0|0,0,1]=3 453 B9R1.15 CNc1cccnc1Cl PI-32645 [1,1,0,0,0,0|2,0,0]=4 454 B9R1.15 COC1=C(C=CC=N1)Br PI-26112 [1,1,0,0,0,0|2,0,0]=4 455 B9R1.15 COC1=C(C=CC=N1)N PI-24213 [1,1,0,0,0,0|2,0,0]=4 456 B9R1.15 COC1=C(N=CC=C1)I PI-26982 [1,1,0,0,0,0|2,0,0]=4 457 B9R1.15 COc1cccnc1Br PI-26342 [1,1,0,0,0,0|2,0,0]=4 458 B9R1.15 COc1cccnc1Cl PI-27671 [1,1,0,0,0,0|2,0,0]=4 459 B9R1.15 COc1nccnc1C PI-11042 [1,1,0,0,0,0|1,0,0]=3 460 B9R1.15 NC1=NC=CC=C1OC PI-39996 [1,1,0,0,0,0|2,0,0]=4 461 B9R1.15 NCC1=NC=CN=C1Cl PI-42457 [1,1,0,0,0,0|1,0,1]=4 462 B9R1.15 O=CC1=C(Cl)C=CN=C1 PI-37019 [1,1,0,0,0,0|1,0,0]=3 463 B9R1.15 O=CC1=CC=CC=C1I PI-27403 [1,1,0,0,0,0|2,0,0]=4 464 B9R1.15 O=Cc1ccccc1Cl PI-34387 [1,1,0,0,0,0|2,0,0]=4 465 B9R1.15 O=Cc1ccccc1F PI-27600 [1,1,0,0,0,0|2,0,0]=4 466 B9R1.15 O=Cc1cccnc1N PI-15940 [1,1,0,0,0,0|1,0,0]=3 467 B9R1.15 O=Cc1cnccc1Br PI-36813 [1,1,0,0,0,0|1,0,0]=3 468 B9R1.11 C1=CSC(=C1)C(=O)CCl PI-29443 [0,1,0,0,1,0|1,0,0]=3 469 B9R1.11 C1=CSC(=N1)C(=O)CBr PI-45387 [0,1,0,0,1,0|1,0,0]=3 470 B9R1.11 C1=CSC=C1C(=O)CBr PI-29147 [0,1,0,0,1,0|1,0,0]=3 471 B9R1.11 C1=CSC=C1C(=O)NN PI-29542 [0,1,0,0,1,0|2,0,0]=4 472 B9R1.11 C1=NNC(=N1)C(=O)NN PI-28276 [0,1,0,0,1,0|2,0,0]=4 473 B9R1.11 CCC(=O)C1=CC=CS1 PI-32561 [0,1,0,0,1,0|1,0,0]=3 474 B9R1.11 CCC(=O)C1=NC=CS1 PI-48498 [0,1,0,0,1,0|1,0,0]=3 475 B9R1.11 CCC(=O)c1ccco1 PI-17052 [0,1,0,0,1,0|1,0,0]=3 476 B9R1.11 COC(=O)C1=CC=CO1 PI-13054 [0,1,0,0,1,0|1,0,0]=3 477 B9R1.11 COC(=O)C1=CC=NN1 PI-50563 [0,1,0,0,1,0|1,0,0]=3 478 B9R1.11 COC(=O)C1=CN=CN1 PI-40206 [0,1,0,0,1,0|0,0,1]=3 479 B9R1.11 COC(=O)C1=CN=CS1 PI-25162 [0,1,0,0,1,0|1,0,0]=3 480 B9R1.11 COC(=O)C1=COC=C1 PI-19097 [0,1,0,0,1,0|1,0,0]=3 481 B9R1.11 COC(=O)C1=NC=NN1 PI-16818 [0,1,0,0,1,0|1,0,0]=3 482 B9R1.11 COC(=O)C1=NNN=C1 PI-44893 [0,1,0,0,1,0|1,0,0]=3 483 B9R1.11 COC(=O)C1=NNN=C1 PI-44918 [0,1,0,0,1,0|1,0,0]=3 484 B9R1.11 COC(=O)c1cccs1 PI-30692 [0,1,0,0,1,0|1,0,0]=3 485 B9R1.11 NNC(=O)c1ccco1 PI-28398 [0,1,0,0,1,0|2,0,0]=4 486 B9R1.11 NNC(=O)c1cccs1 PI-18375 [0,1,0,0,1,0|2,0,0]=4 487 B9R1.11 O=C(C1=CC=CN1)OC PI-42625 [0,1,0,0,1,0|0,0,1]=3 488 B9R1.11 O=C(C1=CNC=C1)OC PI-46831 [0,1,0,0,1,0|0,0,1]=3 489 B9R1.19 CS(=O)(=O)C1=CC=CS1 PI-29538 [0,1,0,0,1,0|2,0,0]=4 490 B9R1.35 Brc1scc(c1)C(=O)O PI-35044 [0,1,0,0,1,0|2,0,0]=4 491 B9R1.35 C1=C(N=C(S1)Br)C(=O)O PI-25633 [0,1,0,0,1,0|2,0,0]=4 492 B9R1.35 C1=C(N=C(S1)C(=O)O)Br PI-45389 [0,1,0,0,1,0|2,0,0]=4 493 B9R1.35 C1=C(N=C(S1)N)C(=O)O PI-16258 [0,1,0,0,1,0|2,0,0]=4 494 B9R1.35 C1=C(OC(=C1)Br)C(=O)Cl PI-21496 [0,1,0,0,1,0|2,0,0]=4 495 B9R1.35 C1=C(OC(=C1)Br)C(=O)O PI-21497 [0,1,0,0,1,0|2,0,0]=4 496 B9R1.35 C1=C(OC(=C1)N)C(=O)O PI-19351 [0,1,0,0,1,0|2,0,0]=4 497 B9R1.35 C1=C(SC(=C1)Br)C(=O)Cl PI-45457 [0,1,0,0,1,0|2,0,0]=4 498 B9R1.35 C1=C(SC(=C1)Br)C(=O)N PI-29907 [0,1,0,0,1,0|2,0,0]=4 499 B9R1.35 C1=C(SC(=C1)Br)C(=O)O PI-16448 [0,1,0,0,1,0|2,0,0]=4 500 B9R1.35 C1=C(SC(=C1)Cl)C(=O)O PI-30361 [0,1,0,0,1,0|2,0,0]=4 501 B9R1.35 C1=C(SC(=N1)Br)C(=O)O PI-25655 [0,1,0,0,1,0|2,0,0]=4 502 B9R1.35 C1=C(SC(=N1)C)C(=O)O PI-36606 [0,1,0,0,1,0|2,0,0]=4 503 B9R1.35 C1=C(SC=C1C(=O)N)Br PI-44107 [0,1,0,0,1,0|2,0,0]=4 504 B9R1.35 CC(=O)C1=CC(Br)=CS1 PI-29021 [0,1,0,0,1,0|1,0,0]=3 505 B9R1.35 CC(=O)C1=CC=C(S1)Br PI-16279 [0,1,0,0,1,0|1,0,0]=3 506 B9R1.35 CC(=O)C1=CC=C(S1)I PI-26551 [0,1,0,0,1,0|1,0,0]=3 507 B9R1.35 CC(=O)C1=NC=C(S1)Br PI-43922 [0,1,0,0,1,0|1,0,0]=3 508 B9R1.35 CC(=O)N1C=C(C=N1)I PI-31343 [0,1,0,0,1,0|1,0,0]=3 509 B9R1.35 CC(=O)c1c[nH]c(C)n1 PI-36304 [0,1,0,0,1,0|0,0,1]=3 510 B9R1.35 CC(=O)c1cc(cs1)Cl PI-38201 [0,1,0,0,1,0|1,0,0]=3 511 B9R1.35 CC(C1=CN=C(N)S1)=O PI-46739 [0,1,0,0,1,0|1,0,0]=3 512 B9R1.35 CC1=CC=C(O1)C(=O)Cl PI-19122 [0,1,0,0,1,0|2,0,0]=4 513 B9R1.35 CC1=CC=C(O1)C(=O)O PI-17727 [0,1,0,0,1,0|2,0,0]=4 514 B9R1.35 CC1=CC=C(S1)C(=O)C PI-27153 [0,1,0,0,1,0|1,0,0]=3 515 B9R1.35 CC1=CC=C(S1)C(=O)O PI-11163 [0,1,0,0,1,0|2,0,0]=4 516 B9R1.35 CC1=CSC(=C1)C(=O)O PI-29136 [0,1,0,0,1,0|2,0,0]=4 517 B9R1.35 Cc1cc(no1)C(=O)O PI-36872 [0,1,0,0,1,0|2,0,0]=4 518 B9R1.35 Cc1nc(co1)C(=O)O PI-38605 [0,1,0,0,1,0|2,0,0]=4 519 B9R1.35 Clc1ccc(s1)C(=O)Cl PI-26633 [0,1,0,0,1,0|2,0,0]=4 520 B9R1.35 Cn1cc(nc1)C(=O)O PI-38169 [0,1,0,0,1,0|1,0,1]=4 521 B9R1.35 Cn1ccc(n1)C(=O)O PI-38564 [0,1,0,0,1,0|2,0,0]=4 522 B9R1.35 O=C(C1=CSC(Cl)=C1)O PI-46668 [0,1,0,0,1,0|2,0,0]=4 523 B9R1.35 OC(=O)C1=CC(Br)=CN1 PI-39658 [0,1,0,0,1,0|1,0,1]=4 524 B9R1.35 OC(=O)c1c[nH]c(C)c1 PI-36150 [0,1,0,0,1,0|1,0,1]=4 525 B9R1.35 OC(=O)c1cc(Br)cs1 PI-29188 [0,1,0,0,1,0|2,0,0]=4 526 B9R1.35 OC(=O)c1cc([nH]n1)Cl PI-39269 [0,1,0,0,1,0|2,0,0]=4 527 B9R1.35 OC(=O)c1cc(no1)Br PI-39414 [0,1,0,0,1,0|2,0,0]=4 528 B9R1.35 OC(=O)c1ncc(s1)Br PI-39239 [0,1,0,0,1,0|2,0,0]=4 529 B9R1.41 C1=C(C(=CS1)Br)C(=O)O PI-29187 [0,1,0,0,1,0|2,0,0]=4 530 B9R1.41 C1=CSC(=C1Br)C(=O)Cl PI-29405 [0,1,0,0,1,0|2,0,0]=4 531 B9R1.41 C1=CSC(=C1Br)C(=O)O PI-22617 [0,1,0,0,1,0|2,0,0]=4 532 B9R1.41 C1=CSC(=C1Cl)C(=O)Cl PI-20245 [0,1,0,0,1,0|2,0,0]=4 533 B9R1.41 C1=CSC(=C1Cl)C(=O)N PI-29148 [0,1,0,0,1,0|2,0,0]=4 534 B9R1.41 C1=CSC(=C1Cl)C(=O)O PI-10801 [0,1,0,0,1,0|2,0,0]=4 535 B9R1.41 C1=NC(=C(N1)C(=O)N)N PI-10147 [0,1,0,0,1,0|1,0,1]=4 536 B9R1.41 C1=NC(=C(S1)N)C(=O)N PI-48355 [0,1,0,0,1,0|2,0,0]=4 537 B9R1.41 C1=NNC(=C1C(=O)N)N PI-13039 [0,1,0,0,1,0|2,0,0]=4 538 B9R1.41 C1=NNC(=C1C(=O)N)N PI-35654 [0,1,0,0,1,0|2,0,0]=4 539 B9R1.41 C1=NNC(=C1C(=O)O)N PI-13600 [0,1,0,0,1,0|2,0,0]=4 540 B9R1.41 CC(=O)C1=C(C=CS1)N PI-26559 [0,1,0,0,1,0|1,0,0]=3 541 B9R1.41 CC(=O)C1=CC=CN1C PI-12067 [0,1,0,0,1,0|0,0,1]=3 542 B9R1.41 CC1=C(C=CO1)C(=O)Cl PI-19717 [0,1,0,0,1,0|2,0,0]=4 543 B9R1.41 CC1=C(C=NO1)C(=O)Cl PI-42959 [0,1,0,0,1,0|2,0,0]=4 544 B9R1.41 CC1=C(C=NO1)C(=O)O PI-10238 [0,1,0,0,1,0|2,0,0]=4 545 B9R1.41 CC1=C(OC=C1)C(=O)O PI-17475 [0,1,0,0,1,0|2,0,0]=4 546 B9R1.41 CC1=C(SC=C1)C(=O)C PI-35069 [0,1,0,0,1,0|1,0,0]=3 547 B9R1.41 CC1=C(SC=C1)C(=O)Cl PI-11936 [0,1,0,0,1,0|2,0,0]=4 548 B9R1.41 CC1=C(SC=C1)C(=O)N PI-29912 [0,1,0,0,1,0|2,0,0]=4 549 B9R1.41 CC1=C(SC=C1)C(=O)O PI-11161 [0,1,0,0,1,0|2,0,0]=4 550 B9R1.41 CC1=C(SC=N1)C(=O)O PI-11138 [0,1,0,0,1,0|2,0,0]=4 551 B9R1.41 CN1C=CN=C1C(=O)O PI-45034 [0,1,0,0,1,0|1,0,1]=4 552 B9R1.41 Cn1cncc1C(=O)O PI-35821 [0,1,0,0,1,0|1,0,1]=4 553 B9R1.41 NC(=O)c1[nH]cnc1N PI-31291 [0,1,0,0,1,0|1,0,1]=4 554 B9R1.41 NC(=O)c1nc[nH]c1N PI-36874 [0,1,0,0,1,0|1,0,1]=4 555 B9R1.41 NC(=O)c1sccc1N PI-14136 [0,1,0,0,1,0|2,0,0]=4 556 B9R1.41 O=C(C1=C(Br)SC=C1)O PI-41655 [0,1,0,0,1,0|2,0,0]=4 557 B9R1.41 O=C(C1=C(N)SC=C1)N PI-37067 [0,1,0,0,1,0|2,0,0]=4 558 B9R1.41 OC(=O)c1occc1Br PI-39205 [0,1,0,0,1,0|2,0,0]=4 559 B9R1.41 OC(=O)c1sccc1O PI-36902 [0,1,0,0,1,0|2,0,0]=4 560 B11R1.20 C1=CC(=CC=C1CC(C)=O)F PI-39618 [0,1,0,0,0,1|2,0,0]=4 561 B11R1.20 C1=CC(=NC=C1CC(=O)O)Cl PI-32201 [0,1,0,0,0,1|2,0,0]=4 562 B11R1.20 CC(=O)Cc1ccc(cc1)Br PI-38548 [0,1,0,0,0,1|2,0,0]=4 563 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 PI-26690 [0,1,0,0,0,1|2,0,0]=4 564 B11R1.20 CC(=O)NC1=CC=C(C=C1)Br PI-24030 [0,1,0,0,0,1|2,0,0]=4 565 B11R1.20 CC(=O)NC1=CC=C(C=C1)F PI-34152 [0,1,0,0,0,1|2,0,0]=4 566 B11R1.20 CC(=O)NC1=CC=C(C=C1)S PI-26064 [0,1,0,0,0,1|2,0,0]=4 567 B11R1.20 CC(=O)NC1=NC=C(C=C1)N PI-14240 [0,1,0,0,0,1|1,0,0]=3 568 B11R1.20 CC(=O)OC1=CC=C(C=C1)F PI-16968 [0,1,0,0,0,1|2,0,0]=4 569 B11R1.20 CC(=O)OC1=CC=C(C=C1)O PI-49042 [0,1,0,0,0,1|2,0,0]=4 570 B11R1.20 CC(=O)Oc1ccc(cc1)Br PI-35155 [0,1,0,0,0,1|2,0,0]=4 571 B11R1.20 CC(=O)SC1=CC=C(C=C1)I PI-35183 [0,1,0,0,0,1|2,0,0]=4 572 B11R1.20 CC(OC1=CC=C(N)C=C1)=O PI-37062 [0,1,0,0,0,1|2,0,0]=4 573 B11R1.20 CC1=CN=C(C=C1)CC(=O)O PI-48028 [0,1,0,0,0,1|2,0,0]=4 574 B11R1.36 O=C(C(=O)C)c1ccccc1 PI-32566 [0,1,0,0,0,1|2,0,0]=4 575 B11R1.40 CCC(=O)CC1=CC=CC=C1 PI-47129 [0,1,0,0,0,1|2,0,0]=4 576 B11R1.40 COC(=O)CC1=CC=CC=N1 PI-48279 [0,1,0,0,0,1|1,0,0]=3 577 B11R1.40 COC(=O)CC1=NC=CN=C1 PI-29522 [0,1,0,0,0,1|0,0,0]=2 578 B11R1.40 ClCC(=O)Nc1ccccc1 PI-15656 [0,1,0,0,0,1|2,0,0]=4 579 B11R1.40 O=C(OC)CC1=NC=CC=N1 PI-46781 [0,1,0,0,0,1|2,0,0]=4 580 B11R1.86 CC(=O)Cc1ccccc1F PI-38595 [0,1,0,0,0,1|2,0,0]=4 581 B11R1.86 CC(=O)NC1=CC=CC=C1Br PI-50525 [0,1,0,0,0,1|2,0,0]=4 582 B11R1.86 CC(=O)NC1=CC=CC=C1F PI-34151 [0,1,0,0,0,1|2,0,0]=4 583 B11R1.86 CC(=O)NC1=CC=CC=C1O PI-11773 [0,1,0,0,0,1|2,0,0]=4 584 B11R1.86 CC(=O)Nc1ccccc1N PI-39094 [0,1,0,0,0,1|2,0,0]=4 585 B11R1.86 CC(=O)OC1=CC=CC=C1Cl PI-10924 [0,1,0,0,0,1|2,0,0]=4 586 B11R1.86 CC1=NC=CN=C1CC(C)C PI-48497 [0,1,0,0,0,1|1,0,1]=4 587 B11R1.157 CC(=O)Cc1cccc(c1)Br PI-38558 [0,1,0,0,0,1|2,0,0]=4 588 B11R1.157 CC(=O)NC1=CC(=CC=C1)Br PI-50520 [0,1,0,0,0,1|2,0,0]=4 589 B11R1.157 CC(=O)NC1=CC(=CC=C1)F PI-23433 [0,1,0,0,0,1|2,0,0]=4 590 B11R1.157 CC(=O)NC1=CC=CC(=C1)N PI-17432 [0,1,0,0,0,1|2,0,0]=4 591 B11R1.157 CC(=O)OC1=CC(=CC=C1)F PI-26855 [0,1,0,0,0,1|2,0,0]=4 592 B11R1.157 CC1=NC(=CC=C1)NC(=O)C PI-46994 [0,1,0,0,0,1|1,0,0]=3 593 B11R1.3 C1=CC(=NC=C1C(=O)O)NN PI-35028 [0,2,0,0,0,0|2,0,0]=4 594 B11R1.3 C1=CC(=NC=C1C=O)C(=O)O PI-43981 [0,2,0,0,0,0|2,0,0]=4 595 B11R1.3 CC(=O)C1=CC=C(C=C1)C#N PI-16159 [0,2,0,0,0,0|2,0,0]=4 596 B11R1.3 CC(=O)C1=CC=C(C=C1)C=O PI-27504 [0,2,0,0,0,0|2,0,0]=4 597 B11R1.3 CC(C1=CC=C(SC)C=C1)=O PI-16796 [0,2,0,0,0,0|2,0,0]=4 598 B11R1.3 CCC1=CC=C(C=C1)C(=O)C PI-12886 [0,2,0,0,0,0|2,0,0]=4 599 B11R1.3 COc1ccc(cn1)C(=O)O PI-28741 [0,2,0,0,0,0|2,0,0]=4 600 B11R1.3 COc1ccc(nc1)C(=O)O PI-38926 [0,2,0,0,0,0|2,0,0]=4 601 B11R1.3 COc1ncc(nc1)C(=O)O PI-38849 [0,2,0,0,0,0|1,0,0]=3 602 B11R1.21 C1=C(C=NC(=C1Br)F)C(=O)O PI-36514 [0,2,0,0,0,0|2,0,0]=4 603 B11R1.21 C1=C(C=NC(=C1Cl)Cl)C(=O)O PI-16262 [0,2,0,0,0,0|2,0,0]=4 604 B11R1.21 CC(=O)C1=CC(=C(C=C1)Br)F PI-43296 [0,2,0,0,0,0|2,0,0]=4 605 B11R1.21 CC(=O)C1=CC(=C(C=C1)Cl)Cl PI-29417 [0,2,0,0,0,0|2,0,0]=4 606 B11R1.21 CC(=O)C1=CC(=C(C=C1)Cl)F PI-30165 [0,2,0,0,0,0|2,0,0]=4 607 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)Br PI-12717 [0,2,0,0,0,0|2,0,0]=4 608 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)F PI-28452 [0,2,0,0,0,0|2,0,0]=4 609 B11R1.21 CC(=O)c1ccc(Cl)c(C)c1 PI-29523 [0,2,0,0,0,0|2,0,0]=4 610 B11R1.21 CC(=O)c1ccc(F)c(Cl)c1 PI-16917 [0,2,0,0,0,0|2,0,0]=4 611 B11R1.21 CC(=O)c1ccc(c(c1)C)O PI-29955 [0,2,0,0,0,0|2,0,0]=4 612 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O PI-30431 [0,2,0,0,0,0|2,0,0]=4 613 B11R1.21 CC(=O)c1ccc(c(c1)F)O PI-23584 [0,2,0,0,0,0|2,0,0]=4 614 B11R1.21 CC(C1=CC=C(O)C(O)=C1)=O PI-29084 [0,2,0,0,0,0|2,0,0]=4 615 B11R1.21 CC1=C(C=C(C=C1)C(=O)C)Br PI-30577 [0,2,0,0,0,0|2,0,0]=4 616 B11R1.21 CC1=C(C=C(C=C1)C(=O)C)O PI-10230 [0,2,0,0,0,0|2,0,0]=4 617 B11R1.21 CC1=C(C=CC(=C1)C(=O)C)F PI-30538 [0,2,0,0,0,0|2,0,0]=4 618 B11R1.21 CC1=C(C=CC(=N1)C(=O)O)F PI-34875 [0,2,0,0,0,0|2,0,0]=4 619 B11R1.21 CC1=CN=C(C=[N+]1[O-])C(=O)O PI-11485 [0,2,0,0,0,0|1,0,1]=4 620 B11R1.21 CC1=NC=C(N=C1C)C(C)C PI-11733 [0,2,0,0,0,0|1,0,1]=4 621 B11R1.21 OC(=O)c1cnc(c(c1)Br)C PI-39237 [0,2,0,0,0,0|2,0,0]=4 622 B11R1.21 OC(=O)c1cnc(c(c1)Br)Cl PI-34711 [0,2,0,0,0,0|2,0,0]=4 623 B11R1.21 OC(=O)c1cnc(c(c1)Br)O PI-35284 [0,2,0,0,0,0|2,0,0]=4 624 B11R1.21 OC(=O)c1cnc(c(c1)I)O PI-39189 [0,2,0,0,0,0|2,0,0]=4 625 B11R1.22 BrC1=CC=C(C(CBr)=O)C=N1 PI-41793 [0,2,0,0,0,0|1,0,0]=3 626 B11R1.22 BrCC(=O)c1ccc(F)cc1 PI-16507 [0,2,0,0,0,0|2,0,0]=4 627 B11R1.22 BrCC(=O)c1ccc(cc1)Cl PI-12174 [0,2,0,0,0,0|2,0,0]=4 628 B11R1.22 C1=C(N=CC(=N1)Cl)C(=O)NN PI-50494 [0,2,0,0,0,0|1,0,0]=3 629 B11R1.22 C1=CC(=CC=C1C(=O)CBr)O PI-10322 [0,2,0,0,0,0|2,0,0]=4 630 B11R1.22 C1=CC(=CC=C1C(=O)CCl)F PI-28553 [0,2,0,0,0,0|2,0,0]=4 631 B11R1.22 C1=CC(=CC=C1C(=O)CF)Cl PI-30480 [0,2,0,0,0,0|2,0,0]=4 632 B11R1.22 C1=CC(=CC=C1C(=O)CN)Br PI-29690 [0,2,0,0,0,0|2,0,0]=4 633 B11R1.22 C1=CC(=CC=C1C(=O)CN)Cl PI-16147 [0,2,0,0,0,0|2,0,0]=4 634 B11R1.22 C1=CC(=CC=C1C(=O)CN)F PI-10226 [0,2,0,0,0,0|2,0,0]=4 635 B11R1.22 C1=CC(=CC=C1C(=O)CN)O PI-49411 [0,2,0,0,0,0|2,0,0]=4 636 B11R1.22 C1=CC(=CC=C1C(=O)CO)Br PI-30487 [0,2,0,0,0,0|2,0,0]=4 637 B11R1.22 C1=CC(=CC=C1C(=O)CO)Cl PI-30418 [0,2,0,0,0,0|2,0,0]=4 638 B11R1.22 C1=CC(=CC=C1C(=O)CO)F PI-30583 [0,2,0,0,0,0|2,0,0]=4 639 B11R1.22 C1=CC(=NC=C1C(=O)NN)Cl PI-50259 [0,2,0,0,0,0|2,0,0]=4 640 B11R1.22 C1=CC(=NC=C1C(=O)NN)N PI-36889 [0,2,0,0,0,0|2,0,0]=4 641 B11R1.22 C1=CC(=NC=C1C(OC)=O)Cl PI-16721 [0,2,0,0,0,0|1,0,0]=3 642 B11R1.22 CC1=CC=C(C=C1)C(=O)CBr PI-27801 [0,2,0,0,0,0|2,0,0]=4 643 B11R1.22 CC1=CC=C(C=C1)C(=O)CN PI-30703 [0,2,0,0,0,0|2,0,0]=4 644 B11R1.22 CC1=CC=C(C=C1)C(=O)OC PI-50597 [0,2,0,0,0,0|2,0,0]=4 645 B11R1.22 CC1=CN=C(C=N1)C(=O)NN PI-50303 [0,2,0,0,0,0|1,0,0]=3 646 B11R1.22 CCC(=O)C1=CC=C(C=C1)Br PI-12718 [0,2,0,0,0,0|2,0,0]=4 647 B11R1.22 CCC(=O)C1=CC=C(C=C1)N PI-17560 [0,2,0,0,0,0|2,0,0]=4 648 B11R1.22 CNC(=O)c1ccc(cc1)N PI-38046 [0,2,0,0,0,0|2,0,0]=4 649 B11R1.22 COC(=O)C1=CC=C(C=C1)Br PI-11276 [0,2,0,0,0,0|2,0,0]=4 650 B11R1.22 COC(=O)C1=CC=C(C=C1)I PI-18765 [0,2,0,0,0,0|2,0,0]=4 651 B11R1.22 COC(=O)C1=CC=C(C=C1)N PI-12227 [0,2,0,0,0,0|2,0,0]=4 652 B11R1.22 COC(=O)C1=CN=C(C=C1)Br PI-48738 [0,2,0,0,0,0|1,0,0]=3 653 B11R1.22 COC(=O)C1=CN=C(C=N1)Cl PI-35905 [0,2,0,0,0,0|0,0,0]=2 654 B11R1.22 COC(=O)C1=CN=C(N=C1)Cl PI-40861 [0,2,0,0,0,0|2,0,0]=4 655 B11R1.22 COC(=O)c1ccc(=O)oc1 PI-27764 [0,2,0,0,0,0|2,0,0]=4 656 B11R1.22 COC(=O)c1ccc(Cl)cc1 PI-30070 [0,2,0,0,0,0|2,0,0]=4 657 B11R1.22 COC(=O)c1ccc(O)cn1 PI-36864 [0,2,0,0,0,0|1,0,0]=3 658 B11R1.22 COC(=O)c1ccc(cn1)Br PI-36861 [0,2,0,0,0,0|1,0,0]=3 659 B11R1.22 COC(=O)c1ccc(nc1)C PI-10340 [0,2,0,0,0,0|1,0,0]=3 660 B11R1.22 COC(=O)c1cnc(C)cn1 PI-25000 [0,2,0,0,0,0|0,0,0]=2 661 B11R1.22 NNC(=O)c1ccc(C)nc1 PI-24807 [0,2,0,0,0,0|2,0,0]=4 662 B11R1.22 O=C(OC)C1=CC=C(F)C=C1 PI-16967 [0,2,0,0,0,0|2,0,0]=4 663 B11R1.22 O=C(OC)C1=CN=C(N)C=C1 PI-35070 [0,2,0,0,0,0|1,0,0]=3 664 B11R1.166 Brc1ccc(C(=O)C)c(F)c1 PI-30799 [0,2,0,0,0,0|2,0,0]=4 665 B11R1.166 CC(=O)C1=C(C)N=C(C)C=N1 PI-11037 [0,2,0,0,0,0|0,0,0]=2 666 B11R1.166 CC(=O)C1=C(C=C(C=C1)Br)O PI-43291 [0,2,0,0,0,0|2,0,0]=4 667 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)Br PI-20599 [0,2,0,0,0,0|2,0,0]=4 668 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)Cl PI-33128 [0,2,0,0,0,0|2,0,0]=4 669 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)O PI-30853 [0,2,0,0,0,0|2,0,0]=4 670 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)Br PI-14425 [0,2,0,0,0,0|2,0,0]=4 671 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)Cl PI-28768 [0,2,0,0,0,0|2,0,0]=4 672 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)F PI-16939 [0,2,0,0,0,0|2,0,0]=4 673 B11R1.166 CC(=O)C1=C(C=C(C=C1)N)O PI-42987 [0,2,0,0,0,0|2,0,0]=4 674 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)Cl PI-12994 [0,2,0,0,0,0|2,0,0]=4 675 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)F PI-16148 [0,2,0,0,0,0|2,0,0]=4 676 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)N PI-30973 [0,2,0,0,0,0|2,0,0]=4 677 B11R1.166 CC(C1=CC=C(F)C=C1O)=O PI-23585 [0,2,0,0,0,0|2,0,0]=4 678 B11R1.166 CC1=C(C=CC(=C1)O)C(=O)C PI-12264 [0,2,0,0,0,0|2,0,0]=4 679 B11R1.166 CC1=CC(=C(C=C1)C(=O)C)C PI-11718 [0,2,0,0,0,0|2,0,0]=4 680 B11R1.166 CC1=NC(=NC=C1C(=O)C)N PI-14033 [0,2,0,0,0,0|2,0,0]=4 681 B11R1.166 Cc1ccc(C(=O)O)c(Cl)n1 PI-16720 [0,2,0,0,0,0|2,0,0]=4 682 B11R1.166 Cc1ccc(c(c1)O)C(=O)C PI-29847 [0,2,0,0,0,0|2,0,0]=4 683 B11R1.166 ClC1=C(C(=O)O)C=CC(=N1)Cl PI-31177 [0,2,0,0,0,0|2,0,0]=4 684 B11R1.166 Clc1cnc(c(c1)Cl)C(=O)O PI-16047 [0,2,0,0,0,0|2,0,0]=4 685 B11R1.166 Fc1cnc(c(c1)F)C(=O)O PI-38255 [0,2,0,0,0,0|2,0,0]=4 686 B11R1.166 Ic1ccc(c(c1)O)C(=O)C PI-30931 [0,2,0,0,0,0|2,0,0]=4 687 B11R1.166 O=C(C1=NC=C(Cl)N=C1Cl)N PI-46710 [0,2,0,0,0,0|1,0,0]=3 688 B11R1.166 O=C(O)C1=C(C)N=C(C)C=C1 PI-37311 [0,2,0,0,0,0|2,0,0]=4 689 B11R1.166 OC(=O)c1cnc(cc1Cl)Cl PI-38189 [0,2,0,0,0,0|2,0,0]=4 690 B11R1.166 Oc1ccc(C(=O)C)c(O)c1 PI-15410 [0,2,0,0,0,0|2,0,0]=4 691 B11R1.7 C1=CC=NC(=C1)S(=O)(=O)CF PI-46455 [0,2,0,0,0,0|2,0,0]=4 692 B11R1.16 C1=CC(=CN=C1)C(=O)NCO PI-10800 [0,2,0,0,0,0|1,0,0]=3 693 B11R1.16 CCOC(=O)C1=CN=CC=C1 PI-39994 [0,2,0,0,0,0|1,0,0]=3 694 B11R1.16 CCOC(=O)c1ccccn1 PI-33276 [0,2,0,0,0,0|1,0,0]=3 695 B11R1.16 CNOC(=O)C1=CC=CC=C1 PI-46922 [0,2,0,0,0,0|2,0,0]=4 696 B11R1.16 COCC(=O)c1ccccc1 PI-11856 [0,2,0,0,0,0|2,0,0]=4 697 B11R1.16 ClCCC(=O)c1ccccc1 PI-11246 [0,2,0,0,0,0|2,0,0]=4 698 B11R1.16 N#CCC(=O)c1ccccc1 PI-14837 [0,2,0,0,0,0|2,0,0]=4 699 B11R1.16 O=C(OCCl)C1=CC=CC=C1 PI-40036 [0,2,0,0,0,0|2,0,0]=4 700 B11R1.23 BrCC(=O)c1cccc(Br)c1 PI-22228 [0,2,0,0,0,0|2,0,0]=4 701 B11R1.23 C1=C(C=CC=C1C(OC)=O)O PI-18286 [0,2,0,0,0,0|2,0,0]=4 702 B11R1.23 C1=C(C=NC=C1Br)C(=O)NN PI-50341 [0,2,0,0,0,0|2,0,0]=4 703 B11R1.23 C1=CC(=CC(=C1)Cl)C(=O)CBr PI-20200 [0,2,0,0,0,0|2,0,0]=4 704 B11R1.23 C1=CC(=CC(=C1)Cl)C(=O)CCl PI-32569 [0,2,0,0,0,0|2,0,0]=4 705 B11R1.23 C1=CC(=CC(=C1)F)C(=O)CBr PI-31564 [0,2,0,0,0,0|2,0,0]=4 706 B11R1.23 CC1=CC(=CC=C1)C(=O)OC PI-50285 [0,2,0,0,0,0|2,0,0]=4 707 B11R1.23 CCC(=O)C1=CC(=CC=C1)F PI-28550 [0,2,0,0,0,0|2,0,0]=4 708 B11R1.23 CCC(=O)C1=CC(=CC=C1)O PI-17471 [0,2,0,0,0,0|2,0,0]=4 709 B11R1.23 CCC(=O)c1cccc(c1)Cl PI-13415 [0,2,0,0,0,0|2,0,0]=4 710 B11R1.23 CNC(=O)C1=CC(=CC=C1)N PI-17436 [0,2,0,0,0,0|2,0,0]=4 711 B11R1.23 CNC(=O)c1cc(Cl)ccn1 PI-35278 [0,2,0,0,0,0|1,0,0]=3 712 B11R1.23 COC(=O)C1=CC(=CC=C1)Br PI-29779 [0,2,0,0,0,0|2,0,0]=4 713 B11R1.23 COC(=O)C1=CC(=CC=C1)Cl PI-14890 [0,2,0,0,0,0|2,0,0]=4 714 B11R1.23 COC(=O)C1=CC(=CC=C1)F PI-34142 [0,2,0,0,0,0|2,0,0]=4 715 B11R1.23 COC(=O)C1=CN=CC(=N1)Br PI-50062 [0,2,0,0,0,0|0,0,0]=2 716 B11R1.23 COC(=O)C1=NC(=CC=C1)Cl PI-35288 [0,2,0,0,0,0|1,0,0]=3 717 B11R1.23 COC(=O)C1=NC(=NC=C1)Cl PI-42080 [0,2,0,0,0,0|2,0,0]=4 718 B11R1.23 COC(=O)c1cc(Cl)ccn1 PI-34710 [0,2,0,0,0,0|1,0,0]=3 719 B11R1.23 COC(=O)c1cc(I)ccn1 PI-38432 [0,2,0,0,0,0|1,0,0]=3 720 B11R1.23 COC(=O)c1cccc(c1)N PI-10944 [0,2,0,0,0,0|2,0,0]=4 721 B11R1.23 COC(=O)c1cccc(n1)Br PI-38915 [0,2,0,0,0,0|1,0,0]=3 722 B11R1.23 COC(=O)c1cncc(Br)c1 PI-22189 [0,2,0,0,0,0|1,0,0]=3 723 B11R1.23 COC(=O)c1cnnc(c1)Cl PI-38433 [0,2,0,0,0,0|2,0,0]=4 724 B11R1.23 O=C(OC)C1=CC=CC(I)=C1 PI-41906 [0,2,0,0,0,0|2,0,0]=4 725 B11R1.222 BrCC(=O)c1ccccc1Br PI-31567 [0,2,0,0,0,0|2,0,0]=4 726 B11R1.222 BrCC(=O)c1ccccc1Cl PI-20199 [0,2,0,0,0,0|2,0,0]=4 727 B11R1.222 BrCC(=O)c1ccccc1F PI-17348 [0,2,0,0,0,0|2,0,0]=4 728 B11R1.222 BrCC(=O)c1ccccc1O PI-31566 [0,2,0,0,0,0|2,0,0]=4 729 B11R1.222 C1=CC(=C(N=C1)N)C(=O)NN PI-50253 [0,2,0,0,0,0|2,0,0]=4 730 B11R1.222 C1=CN=C(C(=N1)C(=O)NN)N PI-50451 [0,2,0,0,0,0|1,0,0]=3 731 B11R1.222 CC1=C(C=CC=N1)C(=O)OC PI-13128 [0,2,0,0,0,0|1,0,0]=3 732 B11R1.222 CC1=CC=CC=C1C(=O)CBr PI-31565 [0,2,0,0,0,0|2,0,0]=4 733 B11R1.222 CCC(=O)C1=CC=CC=C1F PI-16905 [0,2,0,0,0,0|2,0,0]=4 734 B11R1.222 CCC(=O)c1ccccc1O PI-15452 [0,2,0,0,0,0|2,0,0]=4 735 B11R1.222 COC(=O)C1=C(C=CC=N1)Cl PI-34713 [0,2,0,0,0,0|1,0,0]=3 736 B11R1.222 COC(=O)C1=C(C=CN=C1)N PI-33897 [0,2,0,0,0,0|1,0,0]=3 737 B11R1.222 COC(=O)C1=C(N=CC=C1)Cl PI-24397 [0,2,0,0,0,0|1,0,0]=3 738 B11R1.222 COC(=O)C1=C(N=CC=C1)N PI-35287 [0,2,0,0,0,0|1,0,0]=3 739 B11R1.222 COC(=O)C1=CC=CC=C1Br PI-50462 [0,2,0,0,0,0|2,0,0]=4 740 B11R1.222 COC(=O)C1=CC=CC=C1Cl PI-34231 [0,2,0,0,0,0|2,0,0]=4 741 B11R1.222 COC(=O)C1=CC=CC=C1F PI-34134 [0,2,0,0,0,0|2,0,0]=4 742 B11R1.222 COC(=O)C1=CC=CC=C1S PI-50244 [0,2,0,0,0,0|2,0,0]=4 743 B11R1.222 COC(=O)C1=NC=CN=C1N PI-10107 [0,2,0,0,0,0|0,0,0]=2 744 B11R1.222 COC(=O)c1ccccc1I PI-10942 [0,2,0,0,0,0|2,0,0]=4 745 B11R1.222 COC(=O)c1ncccc1N PI-39311 [0,2,0,0,0,0|1,0,0]=3 746 B11R1.222 COC(=O)c1ncccc1O PI-31931 [0,2,0,0,0,0|1,0,0]=3 747 B11R1.222 COC(=O)c1nccnc1Cl PI-38428 [0,2,0,0,0,0|0,0,0]=2 748 B11R1.222 O=C(C1=CC=CNC1=O)OC PI-40201 [0,2,0,0,0,0|1,0,1]=4 749 B11R1.222 O=C(C1=NC=CC=C1Br)OC PI-39663 [0,2,0,0,0,0|1,0,0]=3 750 B11R1.222 OC1=NC=CN=C1C(=O)OC PI-40997 [0,2,0,0,0,0|0,0,0]=2 751 B11R1.53 CC(=O)C1=CC=CC=C1C#N PI-30977 [0,2,0,0,0,0|2,0,0]=4 752 B11R1.53 CCC1=NC=CN=C1C(=O)C PI-11774 [0,2,0,0,0,0|0,0,0]=2 753 B11R1.53 COc1ccccc1C(=O)C PI-12757 [0,2,0,0,0,0|2,0,0]=4 754 B11R1.53 COc1ncccc1C(=O)O PI-16704 [0,2,0,0,0,0|2,0,0]=4 755 B11R1.53 COc1nccnc1C(C)C PI-11044 [0,2,0,0,0,0|1,0,1]=4 756 B11R1.53 CSC1=C(C=CC=N1)C(=O)Cl PI-30995 [0,2,0,0,0,0|2,0,0]=4 757 B11R1.53 CSc1nccnc1C(C)C PI-19834 [0,2,0,0,0,0|1,0,1]=4 758 B11R1.156 CC(=O)c1c(Cl)cccc1Cl PI-20998 [0,2,0,0,0,0|2,0,0]=4 759 B11R1.156 CC(=O)c1c(F)cccc1Cl PI-20054 [0,2,0,0,0,0|2,0,0]=4 760 B11R1.156 CC(=O)c1c(F)cccc1F PI-31057 [0,2,0,0,0,0|2,0,0]=4 761 B11R1.156 CC(=O)c1c(O)cccc1O PI-11029 [0,2,0,0,0,0|2,0,0]=4 762 B11R1.156 CC1=C(C(=CC=C1)C)C(=O)C PI-30312 [0,2,0,0,0,0|2,0,0]=4 763 B11R1.159 CC(=O)C1=C(C(=CC=C1)Cl)Cl PI-20997 [0,2,0,0,0,0|2,0,0]=4 764 B11R1.159 CC(=O)C1=C(C(=CC=C1)N)O PI-10229 [0,2,0,0,0,0|2,0,0]=4 765 B11R1.159 CC(=O)C1=C(C(=CC=C1)O)O PI-30124 [0,2,0,0,0,0|2,0,0]=4 766 B11R1.159 CC(=O)c1cccc(Br)c1F PI-34270 [0,2,0,0,0,0|2,0,0]=4 767 B11R1.159 CC(=O)c1cccc(c1F)F PI-21122 [0,2,0,0,0,0|2,0,0]=4 768 B11R1.159 CC(=O)c1cccc(c1O)N PI-39350 [0,2,0,0,0,0|2,0,0]=4 769 B11R1.159 CC(C1=CC=CC(Br)=C1O)=O PI-41897 [0,2,0,0,0,0|2,0,0]=4 770 B11R1.159 CC(C1=CC=CC(Cl)=C1O)=O PI-29482 [0,2,0,0,0,0|2,0,0]=4 771 B11R1.159 CC1=C(C(=CC=C1)C(=O)C)C PI-30311 [0,2,0,0,0,0|2,0,0]=4 772 B11R1.167 Brc1cnc(N)c(c1)C(=O)O PI-22190 [0,2,0,0,0,0|2,0,0]=4 773 B11R1.167 Brc1cnc(c(n1)C(=O)N)N PI-38833 [0,2,0,0,0,0|1,0,0]=3 774 B11R1.167 C1=C(C=NC(=C1C(=O)O)Cl)Br PI-24300 [0,2,0,0,0,0|2,0,0]=4 775 B11R1.167 C1=C(N=C(C(=N1)Br)C(=O)O)Br PI-45629 [0,2,0,0,0,0|1,0,0]=3 776 B11R1.167 C1=C(N=C(C(=N1)N)C(=O)O)Br PI-41222 [0,2,0,0,0,0|1,0,0]=3 777 B11R1.167 CC(=O)C1=C(C=CC(=C1)Br)F PI-40483 [0,2,0,0,0,0|2,0,0]=4 778 B11R1.167 CC(=O)C1=C(C=CC(=C1)Br)N PI-50076 [0,2,0,0,0,0|2,0,0]=4 779 B11R1.167 CC(=O)C1=C(C=CC(=C1)Br)O PI-15407 [0,2,0,0,0,0|2,0,0]=4 780 B11R1.167 CC(=O)C1=C(C=CC(=C1)Cl)O PI-11257 [0,2,0,0,0,0|2,0,0]=4 781 B11R1.167 CC(=O)C1=C(C=CC(=C1)F)F PI-28256 [0,2,0,0,0,0|2,0,0]=4 782 B11R1.167 CC(=O)C1=C(C=CC(=C1)F)O PI-16161 [0,2,0,0,0,0|2,0,0]=4 783 B11R1.167 CC(=O)C1=C(C=CC(=C1)N)Cl PI-31000 [0,2,0,0,0,0|2,0,0]=4 784 B11R1.167 CC(=O)C1=C(N=CC(=C1)Br)F PI-48367 [0,2,0,0,0,0|1,0,0]=3 785 B11R1.167 CC(C1=CC(F)=CC=C1I)=O PI-41210 [0,2,0,0,0,0|2,0,0]=4 786 B11R1.167 CC(C1=CC(F)=CC=C1N)=O PI-46722 [0,2,0,0,0,0|2,0,0]=4 787 B11R1.167 CC1=CC(=C(C=C1)C)C(=O)C PI-23365 [0,2,0,0,0,0|2,0,0]=4 788 B11R1.167 CC1=CC(=C(C=C1)F)C(=O)C PI-30627 [0,2,0,0,0,0|2,0,0]=4 789 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)C PI-16152 [0,2,0,0,0,0|2,0,0]=4 790 B11R1.167 Clc1ccc(c(c1)C(=O)C)Cl PI-11720 [0,2,0,0,0,0|2,0,0]=4 791 B11R1.167 Clc1ccc(c(n1)C(=O)O)C PI-39087 [0,2,0,0,0,0|2,0,0]=4 792 B11R1.167 Clc1ccc(c(n1)C(=O)O)Cl PI-16736 [0,2,0,0,0,0|2,0,0]=4 793 B11R1.167 Fc1ccc(Cl)c(c1)C(=O)C PI-29442 [0,2,0,0,0,0|2,0,0]=4 794 B11R1.167 Oc1ccc(O)c(c1)C(=O)C PI-31206 [0,2,0,0,0,0|2,0,0]=4 795 B11R1.74 C1=C(C=C(N=C1C(=O)O)Cl)Cl PI-50621 [0,2,0,0,0,0|2,0,0]=4 796 B11R1.74 CC(=O)C1=CC(=CC(=C1)Br)Br PI-40368 [0,2,0,0,0,0|2,0,0]=4 797 B11R1.74 CC(=O)C1=CC(=CC(=C1)Cl)Cl PI-29140 [0,2,0,0,0,0|2,0,0]=4 798 B11R1.74 CC(C1=CC(F)=CC(F)=C1)=O PI-16883 [0,2,0,0,0,0|2,0,0]=4 799 B11R1.74 CC(C1=CC(O)=CC(O)=C1)=O PI-11032 [0,2,0,0,0,0|2,0,0]=4 800 B11R1.74 Cc1cc(C)cc(c1)C(=O)C PI-30691 [0,2,0,0,0,0|2,0,0]=4 801 B11R1.266 CC(=O)C1=CC(=CC=C1)OC PI-44646 [0,2,0,0,0,0|2,0,0]=4 802 B11R1.266 CC(=O)C1=CC=CC(=C1)CCl PI-16155 [0,2,0,0,0,0|2,0,0]=4 803 B11R1.266 CC(=O)C1=NC(=NC=C1)SC PI-49758 [0,2,0,0,0,0|2,0,0]=4 804 B11R1.266 CCC1=CC(=CC=C1)C(=O)C PI-22041 [0,2,0,0,0,0|2,0,0]=4 805 B11R1.266 COC1=CC(=NC=C1)C(=O)N PI-26971 [0,2,0,0,0,0|2,0,0]=4 806 B11R1.266 COC1=CC(=NC=C1)C(=O)O PI-26085 [0,2,0,0,0,0|2,0,0]=4 807 B11R1.266 COC1=CC=CC(=N1)C(=O)O PI-28329 [0,2,0,0,0,0|2,0,0]=4 808 B11R1.266 COC1=CN=CC(=C1)C(=O)O PI-39997 [0,2,0,0,0,0|2,0,0]=4 809 B11R1.266 COc1ccnc(c1)C(=O)O PI-26532 [0,2,0,0,0,0|2,0,0]=4 810 B11R1.266 N#Cc1cccc(c1)C(=O)C PI-29763 [0,2,0,0,0,0|2,0,0]=4 811 B9R1.13 CC(=O)NC1=NC=CS1 PI-26514 [0,0,1,1,0,0|2,0,0]=4 812 B11R2.10 C1=CC2=C(NC(=O)O2)N=C1 PI-13499 [0,0,0,1,0,1|2,0,0]=4 813 B11R2.10 C1=CN=CC2=C1NC(=O)N2 PI-47254 [0,0,0,1,0,1|2,0,0]=4 814 B11R2.10 C1C(=O)CC2=CC=CC=C21 PI-11611 [0,0,0,1,0,1|2,0,0]=4 815 B11R2.10 O=C1Cc2c(N1)cccc2 PI-11084 [0,0,0,1,0,1|2,0,0]=4 816 B11R2.10 O=C1Cc2ccccc2O1 PI-18682 [0,0,0,1,0,1|2,0,0]=4 817 B11R2.1 C1C(=O)C2=CC=CC=C2O1 PI-27871 [0,1,0,1,0,0|2,0,0]=4 818 B11R2.1 C1C(=O)C2=CC=CC=C2O1 PI-33947 [0,1,0,1,0,0|2,0,0]=4 819 B11R2.1 C1C2=C(C(=O)O1)N=CC=C2 PI-40243 [0,1,0,1,0,0|1,0,0]=3 820 B11R2.1 C1CC(=O)C2=CC=CC=C21 PI-12356 [0,1,0,1,0,0|2,0,0]=4 821 B11R2.1 O=C1C2=CC=CC=C2SC1 PI-42644 [0,1,0,1,0,0|2,0,0]=4 822 B11R2.1 O=C1OCc2c1cccc2 PI-33738 [0,1,0,1,0,0|2,0,0]=4 823 B7R1.1 C1=C(C=N[NH]1)C=O PI-39404 [1,0,0,0,1,0|1,0,0]=3 824 B7R1.1 C1=C(N=CS1)C=O PI-25454 [1,0,0,0,1,0|1,0,0]=3 825 B7R1.1 C1=C(N=NS1)C=O PI-29425 [1,0,0,0,1,0|2,0,0]=4 826 B7R1.1 C1=C(NC=N1)C=O PI-34783 [1,0,0,0,1,0|0,0,1]=3 827 B7R1.1 C1=CNC=C1C=O PI-34088 [1,0,0,0,1,0|0,0,1]=3 828 B7R1.1 C1=CSC(=C1)C=O PI-44709 [1,0,0,0,1,0|1,0,0]=3 829 B7R1.1 CCC1=CC=CS1 PI-10993 [1,0,0,0,1,0|1,0,1]=4 830 B7R1.1 CCC1=CSC=C1 PI-35073 [1,0,0,0,1,0|1,0,1]=4 831 B7R1.1 CCc1ncc[nH]1 PI-31817 [1,0,0,0,1,0|0,0,2]=4 832 B7R1.1 CCn1cccn1 PI-35920 [1,0,0,0,1,0|1,0,1]=4 833 B7R1.1 CCn1cncn1 PI-37585 [1,0,0,0,1,0|1,0,1]=4 834 B7R1.1 COC1=NC=CS1 PI-11131 [1,0,0,0,1,0|2,0,0]=4 835 B7R1.1 COc1cccs1 PI-33573 [1,0,0,0,1,0|2,0,0]=4 836 B7R1.1 COc1cscc1 PI-27269 [1,0,0,0,1,0|2,0,0]=4 837 B7R1.1 CSC1=CSC=C1 PI-29322 [1,0,0,0,1,0|2,0,0]=4 838 B7R1.1 O=CC1=NC=CO1 PI-39572 [1,0,0,0,1,0|1,0,0]=3 839 B7R1.1 O=Cc1cc[nH]n1 PI-39063 [1,0,0,0,1,0|1,0,0]=3 840 B7R1.1 O=Cc1ccc[nH]1 PI-16523 [1,0,0,0,1,0|0,0,1]=3 841 B7R1.1 O=Cc1cnco1 PI-38922 [1,0,0,0,1,0|1,0,0]=3 842 B7R1.1 O=Cc1cncs1 PI-25019 [1,0,0,0,1,0|1,0,0]=3 843 B7R1.1 O=Cc1cscc1 PI-10763 [1,0,0,0,1,0|1,0,0]=3 844 B7R1.1 O=Cc1ncc[nH]1 PI-24015 [1,0,0,0,1,0|0,0,1]=3 845 B7R1.1 O=Cc1nccs1 PI-11133 [1,0,0,0,1,0|1,0,0]=3 846 B11R1.91 CC(=O)NNc1ccccc1 PI-32317 [0,0,0,0,0,2|2,0,0]=4 847 B11R1.91 OC(=O)\C=C\c1ccccn1 PI-28790 [0,0,0,0,0,2|2,0,0]=4 848 B11R1.91 OC(=O)\C=C\c1cccnc1 PI-28055 [0,0,0,0,0,2|2,0,0]=4