0 B9R1.6 B(C1=CN=CC=C1)(O)O PI-13311 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.6 C1=C(C=NC=N1)C(=O)O PI-21348 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.6 C1=CC(=CN=C1)C(=O)Cl PI-18307 [0,0,0,0,0,0|2,0,2]=4 3 B9R1.6 C1=CC(=CN=C1)C(=O)N PI-14591 [0,0,0,0,0,0|2,0,2]=4 4 B9R1.6 C1=CC(=CN=C1)C(=S)N PI-41116 [0,0,0,0,0,0|2,1,1]=4 5 B9R1.6 C1=CC=C(C=C1)C(=O)Br PI-46923 [0,0,0,0,0,0|1,0,2]=3 6 B9R1.6 C1=CC=NC(=C1)C(=O)Cl PI-36884 [0,0,0,0,0,0|2,0,2]=4 7 B9R1.6 C1=CC=NC(=C1)C(=O)O PI-44932 [0,0,0,0,0,0|2,0,1]=3 8 B9R1.6 C1=CN=CC=C1C(=N)N PI-17542 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.6 C1=CN=CC=C1C(=N)N PI-36524 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.6 C1=CN=CC=C1C(=O)Cl PI-29544 [0,0,0,0,0,0|2,0,2]=4 11 B9R1.6 C1=CN=CC=C1C(=O)N PI-46036 [0,0,0,0,0,0|2,0,2]=4 12 B9R1.6 C1=CN=CC=C1C(=S)N PI-41117 [0,0,0,0,0,0|2,1,1]=4 13 B9R1.6 C1=CN=NC=C1C(=O)O PI-32630 [0,0,0,0,0,0|3,0,1]=4 14 B9R1.6 C1=NC=CN=C1C(O)=O PI-14238 [0,0,0,0,0,0|3,0,1]=4 15 B9R1.6 CC(=O)C1=CC=CC=N1 PI-48516 [0,0,0,0,0,0|1,0,2]=3 16 B9R1.6 CC(=O)C1=CN=CN=C1 PI-40256 [0,0,0,0,0,0|2,0,2]=4 17 B9R1.6 CC(=O)C1=NC=CC=N1 PI-42079 [0,0,0,0,0,0|2,0,2]=4 18 B9R1.6 CC(=O)C1=NC=CN=C1 PI-16283 [0,0,0,0,0,0|2,0,2]=4 19 B9R1.6 CC(=O)c1cccnc1 PI-32250 [0,0,0,0,0,0|1,0,2]=3 20 B9R1.6 CC(=O)c1ccncc1 PI-38297 [0,0,0,0,0,0|1,0,2]=3 21 B9R1.6 CC(C)c1ccncc1 PI-16693 [0,0,0,0,0,0|2,0,0]=2 22 B9R1.6 CC(C1=CC=CC=C1)N PI-32638 [0,0,0,0,0,0|1,0,0]=1 23 B9R1.6 CC(C1=CN=CN=C1)N PI-43048 [0,0,0,0,0,0|3,0,0]=3 24 B9R1.6 CC(C1=NC=CN=C1)N PI-37121 [0,0,0,0,0,0|3,0,0]=3 25 B9R1.6 CC(c1ccccn1)N PI-38576 [0,0,0,0,0,0|2,0,0]=2 26 B9R1.6 CC(c1ccncc1)N PI-38572 [0,0,0,0,0,0|2,0,0]=2 27 B9R1.6 CN(C)c1ccncc1 PI-16263 [0,0,0,0,0,0|3,0,0]=3 28 B9R1.6 CN(C1=CC=CC=C1)N PI-29778 [0,0,0,0,0,0|2,0,0]=2 29 B9R1.6 C[C@@H](C1=CC=CC=C1)O PI-50011 [0,0,0,0,0,0|0,0,0]=0 30 B9R1.6 C[C@@H](C1=CC=NC=C1)O PI-49831 [0,0,0,0,0,0|1,0,0]=1 31 B9R1.6 C[C@@H](N)c1ccccn1 PI-36896 [0,0,0,0,0,0|2,0,0]=2 32 B9R1.6 C[C@@H](O)C1=NC=CC=C1 PI-42552 [0,0,0,0,0,0|1,0,0]=1 33 B9R1.6 C[C@@H](c1ccccc1)N PI-11219 [0,0,0,0,0,0|1,0,0]=1 34 B9R1.6 C[C@H](C1=CC=NC=C1)O PI-49830 [0,0,0,0,0,0|1,0,0]=1 35 B9R1.6 C[C@H](O)C1=NC=CC=C1 PI-42531 [0,0,0,0,0,0|1,0,0]=1 36 B9R1.6 C[C@H](c1ccccc1)N PI-11221 [0,0,0,0,0,0|1,0,0]=1 37 B9R1.6 C[C@H](c1ccccc1)O PI-38963 [0,0,0,0,0,0|0,0,0]=0 38 B9R1.6 C[SiH](c1ccccc1)C PI-39122 [0,0,0,0,0,0|1,1,0]=2 39 B9R1.6 FC(c1ccccn1)F PI-35198 [0,0,0,0,0,0|3,0,0]=3 40 B9R1.6 N1=C(N=CC=C1)C(=O)O PI-36489 [0,0,0,0,0,0|3,0,1]=4 41 B9R1.6 N=C(C1=CC=CN=C1)N PI-36525 [0,0,0,0,0,0|3,0,1]=4 42 B9R1.6 N=C(N)C1=CN=CC=C1 PI-30891 [0,0,0,0,0,0|3,0,1]=4 43 B9R1.6 NC(=N)c1ccccc1 PI-30200 [0,0,0,0,0,0|2,0,1]=3 44 B9R1.6 NC(=N)c1ccccn1 PI-30669 [0,0,0,0,0,0|3,0,1]=4 45 B9R1.6 NC(=O)c1cccnc1 PI-12870 [0,0,0,0,0,0|2,0,2]=4 46 B9R1.6 NC(=S)c1ccccc1 PI-29356 [0,0,0,0,0,0|1,1,1]=3 47 B9R1.6 O=[N+](C1=CC=NC=C1)[O-] PI-46824 [0,0,0,0,0,0|3,0,1]=4 48 B9R1.6 OB(C1=NC=NC=C1)O PI-39710 [0,0,0,0,0,0|4,0,0]=4 49 B9R1.6 OB(O)c1ccccc1 PI-16480 [0,0,0,0,0,0|2,0,0]=2 50 B9R1.6 OB(c1ccccn1)O PI-25302 [0,0,0,0,0,0|3,0,0]=3 51 B9R1.6 OB(c1ccncc1)O PI-16484 [0,0,0,0,0,0|3,0,0]=3 52 B9R1.6 OB(c1cncnc1)O PI-25045 [0,0,0,0,0,0|4,0,0]=4 53 B9R1.6 OC(=O)c1cccnc1 PI-15824 [0,0,0,0,0,0|2,0,1]=3 54 B9R1.6 OC(=O)c1ccncn1 PI-32629 [0,0,0,0,0,0|3,0,1]=4 55 B9R1.6 [O-]C(=O)c1ccccn1 PI-27190 [0,0,0,0,0,0|2,0,2]=4 56 B8R1.2 BrCC1=CC=CC=C1 PI-36476 [1,0,0,0,0,0|1,0,0]=2 57 B8R1.2 BrCC1=CN=CN=C1 PI-40551 [1,0,0,0,0,0|3,0,0]=4 58 B8R1.2 C#CC1=CC=CC=C1 PI-48958 [1,0,0,0,0,0|0,0,2]=3 59 B8R1.2 C#CC1=NC=CC=C1 PI-37137 [1,0,0,0,0,0|1,0,2]=4 60 B8R1.2 C1=C(C=NC=N1)CO PI-32945 [1,0,0,0,0,0|2,0,0]=3 61 B8R1.2 C1=C(N=CC=N1)CN PI-42651 [1,0,0,0,0,0|3,0,0]=4 62 B8R1.2 C1=CC(=CN=C1)CCl PI-16717 [1,0,0,0,0,0|2,0,0]=3 63 B8R1.2 C1=CC(=CN=C1)NN PI-39291 [1,0,0,0,0,0|3,0,0]=4 64 B8R1.2 C1=CC=NC(=C1)NN PI-46991 [1,0,0,0,0,0|3,0,0]=4 65 B8R1.2 C1=CC=NC(=C1)NN PI-50652 [1,0,0,0,0,0|3,0,0]=4 66 B8R1.2 C1=CN=C(N=C1)CO PI-35153 [1,0,0,0,0,0|2,0,0]=3 67 B8R1.2 C1=CN=CC=C1CCl PI-31734 [1,0,0,0,0,0|2,0,0]=3 68 B8R1.2 C1=CN=CC=C1CO PI-16744 [1,0,0,0,0,0|1,0,0]=2 69 B8R1.2 C1=CN=CN=C1CO PI-35498 [1,0,0,0,0,0|2,0,0]=3 70 B8R1.2 CCC1=CC=CC=N1 PI-49466 [1,0,0,0,0,0|1,0,0]=2 71 B8R1.2 CCC1=NC=CN=C1 PI-11040 [1,0,0,0,0,0|2,0,0]=3 72 B8R1.2 CC[N+]1=CC=CC=C1 PI-13342 [1,0,0,0,0,0|1,0,0]=2 73 B8R1.2 CC[N+]1=CC=CC=C1 PI-13347 [1,0,0,0,0,0|1,0,0]=2 74 B8R1.2 CNC1=CC=CC=N1 PI-11864 [1,0,0,0,0,0|2,0,0]=3 75 B8R1.2 CNC1=CC=NC=C1 PI-23603 [1,0,0,0,0,0|2,0,0]=3 76 B8R1.2 CNC1=CN=CC=C1 PI-11328 [1,0,0,0,0,0|2,0,0]=3 77 B8R1.2 COC1=CC=CC=N1 PI-33887 [1,0,0,0,0,0|2,0,0]=3 78 B8R1.2 COC1=CC=NC=C1 PI-10034 [1,0,0,0,0,0|2,0,0]=3 79 B8R1.2 COC1=CN=CC=C1 PI-33889 [1,0,0,0,0,0|2,0,0]=3 80 B8R1.2 COC1=NC=CN=C1 PI-11859 [1,0,0,0,0,0|3,0,0]=4 81 B8R1.2 CSC1=CC=CC=N1 PI-16757 [1,0,0,0,0,0|2,0,0]=3 82 B8R1.2 CSC1=NC=CN=C1 PI-11048 [1,0,0,0,0,0|3,0,0]=4 83 B8R1.2 ClCC1=CN=CC=N1 PI-39634 [1,0,0,0,0,0|3,0,0]=4 84 B8R1.2 ClCC1=NC=CC=C1 PI-11827 [1,0,0,0,0,0|2,0,0]=3 85 B8R1.2 ClCc1ccccn1 PI-16716 [1,0,0,0,0,0|2,0,0]=3 86 B8R1.2 ClCc1ncccn1 PI-35014 [1,0,0,0,0,0|3,0,0]=4 87 B8R1.2 ClCc1ncccn1 PI-40553 [1,0,0,0,0,0|3,0,0]=4 88 B8R1.2 NCC1=CC=CC=C1 PI-37209 [1,0,0,0,0,0|1,0,0]=2 89 B8R1.2 NCC1=CC=NC=C1 PI-41875 [1,0,0,0,0,0|2,0,0]=3 90 B8R1.2 NCc1ccccn1 PI-33905 [1,0,0,0,0,0|2,0,0]=3 91 B8R1.2 NCc1cccnc1 PI-15236 [1,0,0,0,0,0|2,0,0]=3 92 B8R1.2 NCc1ccncc1 PI-31790 [1,0,0,0,0,0|2,0,0]=3 93 B8R1.2 NCc1ncccn1 PI-34855 [1,0,0,0,0,0|3,0,0]=4 94 B8R1.2 NCc1ncccn1 PI-34856 [1,0,0,0,0,0|3,0,0]=4 95 B8R1.2 NNC1=CC=CC=C1 PI-41551 [1,0,0,0,0,0|2,0,0]=3 96 B8R1.2 O=Cc1ccccn1 PI-33895 [1,0,0,0,0,0|1,0,2]=4 97 B8R1.2 O=Cc1cccnc1 PI-33908 [1,0,0,0,0,0|1,0,2]=4 98 B8R1.2 O=Cc1ccncc1 PI-13140 [1,0,0,0,0,0|1,0,2]=4 99 B8R1.2 OCC1=CC=CN=C1 PI-11019 [1,0,0,0,0,0|1,0,0]=2 100 B8R1.2 OCC1=NC=CC=C1 PI-16261 [1,0,0,0,0,0|1,0,0]=2 101 B8R1.2 OCc1ccncc1 PI-16686 [1,0,0,0,0,0|1,0,0]=2 102 B8R1.2 ONc1ccccc1 PI-38448 [1,0,0,0,0,0|1,0,0]=2 103 B8R1.2 [C-]#CC1=CC=CC=C1 PI-48435 [1,0,0,0,0,0|0,0,2]=3 104 B10R1.13 B(C1=CC=C(C=C1)N)(O)O PI-25845 [0,1,0,0,0,0|2,0,0]=3 105 B10R1.13 B(C1=CC=C(C=C1)O)(O)O PI-25808 [0,1,0,0,0,0|2,0,0]=3 106 B10R1.13 B(C1=CC=C(C=C1)S)(O)O PI-33001 [0,1,0,0,0,0|2,0,0]=3 107 B10R1.13 B(C1=CN=C(C=C1)Br)(O)O PI-25364 [0,1,0,0,0,0|3,0,0]=4 108 B10R1.13 B(C1=CN=C(C=C1)C)(O)O PI-44977 [0,1,0,0,0,0|3,0,0]=4 109 B10R1.13 B(C1=CN=C(C=C1)F)(O)O PI-25465 [0,1,0,0,0,0|3,0,0]=4 110 B10R1.13 B(C1=NC=C(C=C1)C)(O)O PI-25499 [0,1,0,0,0,0|3,0,0]=4 111 B10R1.13 Brc1ccc(cc1)B(O)O PI-25661 [0,1,0,0,0,0|2,0,0]=3 112 B10R1.13 Brc1ccc(cc1)C(=O)O PI-27741 [0,1,0,0,0,0|1,0,1]=3 113 B10R1.13 Brc1ccc(cc1)S(=O)[O-] PI-30223 [0,1,0,0,0,0|2,0,1]=4 114 B10R1.13 Brc1ccc(cc1)[N+](=O)[O-] PI-30746 [0,1,0,0,0,0|2,0,1]=4 115 B10R1.13 Brc1ccc(cn1)C(=O)O PI-10090 [0,1,0,0,0,0|2,0,1]=4 116 B10R1.13 Brc1ccc(nc1)C(=O)O PI-10180 [0,1,0,0,0,0|2,0,1]=4 117 B10R1.13 C1=C(C(=N)N)C=CC(=C1)F PI-38824 [0,1,0,0,0,0|2,0,1]=4 118 B10R1.13 C1=CC(=CC=C1C(=N)N)Cl PI-23130 [0,1,0,0,0,0|2,0,1]=4 119 B10R1.13 C1=CC(=CC=C1C(=N)N)Cl PI-36543 [0,1,0,0,0,0|2,0,1]=4 120 B10R1.13 C1=CC(=CC=C1C(=N)N)N PI-10167 [0,1,0,0,0,0|2,0,1]=4 121 B10R1.13 C1=CC(=CC=C1C(=N)N)N PI-30927 [0,1,0,0,0,0|2,0,1]=4 122 B10R1.13 C1=CC(=CC=C1C(=O)Cl)F PI-11984 [0,1,0,0,0,0|1,0,2]=4 123 B10R1.13 C1=CC(=CC=C1C(=O)N)Cl PI-30790 [0,1,0,0,0,0|1,0,2]=4 124 B10R1.13 C1=CC(=CC=C1C(=O)N)O PI-20729 [0,1,0,0,0,0|1,0,2]=4 125 B10R1.13 C1=CC(=CC=C1C(=O)O)I PI-12206 [0,1,0,0,0,0|1,0,1]=3 126 B10R1.13 C1=CC(=CC=C1C(=O)O)S PI-11996 [0,1,0,0,0,0|1,0,1]=3 127 B10R1.13 C1=CC(=CC=C1C(=O)[O-])F PI-28585 [0,1,0,0,0,0|1,0,2]=4 128 B10R1.13 C1=CC(=CC=C1C(=S)N)Br PI-22614 [0,1,0,0,0,0|1,1,1]=4 129 B10R1.13 C1=CC(=CC=C1C(Cl)Cl)F PI-19632 [0,1,0,0,0,0|2,0,0]=3 130 B10R1.13 C1=CC(=CC=C1C(F)F)Br PI-21636 [0,1,0,0,0,0|2,0,0]=3 131 B10R1.13 C1=CC(=CC=C1C(N)=O)F PI-28843 [0,1,0,0,0,0|1,0,2]=4 132 B10R1.13 C1=CC(=CC=C1F)S(=O)[O-] PI-23445 [0,1,0,0,0,0|2,0,1]=4 133 B10R1.13 C1=CC(=CC=C1N)[N+](=O)[O-] PI-50479 [0,1,0,0,0,0|2,0,1]=4 134 B10R1.13 C1=CC(=CC=C1S(=O)[O-])Cl PI-23131 [0,1,0,0,0,0|2,0,1]=4 135 B10R1.13 C1=CC(=NC=C1C(=O)O)Cl PI-31219 [0,1,0,0,0,0|2,0,1]=4 136 B10R1.13 C1=CC(=NC=C1C(=O)O)F PI-16388 [0,1,0,0,0,0|2,0,1]=4 137 B10R1.13 C1=CC(=NC=C1C(=O)O)N PI-10089 [0,1,0,0,0,0|2,0,1]=4 138 B10R1.13 C1=CC(=O)NC=C1C(=O)O PI-10378 [0,1,0,0,0,0|2,0,1]=4 139 B10R1.13 C1=CC(=O)OC=C1C(=O)O PI-31209 [0,1,0,0,0,0|2,0,1]=4 140 B10R1.13 C1=C[N+](=CC=C1C(=O)O)[O-] PI-18162 [0,1,0,0,0,0|2,0,1]=4 141 B10R1.13 CC(=O)C1=CC=C(C=C1)Br PI-44871 [0,1,0,0,0,0|0,0,2]=3 142 B10R1.13 CC(=O)C1=CC=C(C=C1)N PI-29588 [0,1,0,0,0,0|0,0,2]=3 143 B10R1.13 CC(=O)C1=CN=C(C=C1)N PI-34884 [0,1,0,0,0,0|1,0,2]=4 144 B10R1.13 CC(=O)C1=NC=C(C=C1)Br PI-41220 [0,1,0,0,0,0|1,0,2]=4 145 B10R1.13 CC(=O)c1ccc(cc1)I PI-29117 [0,1,0,0,0,0|0,0,2]=3 146 B10R1.13 CC(C)C1=CC=C(C=C1)Br PI-32313 [0,1,0,0,0,0|1,0,0]=2 147 B10R1.13 CC(C)C1=CC=C(C=C1)N PI-50230 [0,1,0,0,0,0|1,0,0]=2 148 B10R1.13 CC(C)C1=CC=C(C=C1)S PI-21362 [0,1,0,0,0,0|1,0,0]=2 149 B10R1.13 CC(C)C1=NNC(=O)C=C1 PI-48300 [0,1,0,0,0,0|3,0,0]=4 150 B10R1.13 CC(C1=CC=C(C=C1)Br)N PI-19358 [0,1,0,0,0,0|1,0,0]=2 151 B10R1.13 CC(C1=CC=C(C=C1)Br)O PI-32579 [0,1,0,0,0,0|0,0,0]=1 152 B10R1.13 CC(C1=CC=C(C=C1)Cl)N PI-47032 [0,1,0,0,0,0|1,0,0]=2 153 B10R1.13 CC(C1=CC=C(C=C1)N)O PI-11962 [0,1,0,0,0,0|0,0,0]=1 154 B10R1.13 CC(C1=CC=C(O)C=C1)=O PI-37424 [0,1,0,0,0,0|0,0,2]=3 155 B10R1.13 CC(N)C1=NC=C(F)C=C1 PI-41878 [0,1,0,0,0,0|2,0,0]=3 156 B10R1.13 CC(c1ccc(cc1)Cl)O PI-11234 [0,1,0,0,0,0|0,0,0]=1 157 B10R1.13 CC1=CC=C(C=C1)C(=N)N PI-29803 [0,1,0,0,0,0|2,0,1]=4 158 B10R1.13 CC1=CC=C(C=C1)C(=O)C PI-32267 [0,1,0,0,0,0|0,0,2]=3 159 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl PI-34220 [0,1,0,0,0,0|1,0,2]=4 160 B10R1.13 CC1=CC=C(C=C1)C(=S)N PI-30352 [0,1,0,0,0,0|1,1,1]=4 161 B10R1.13 CC1=CC=C(C=C1)C(C)O PI-32578 [0,1,0,0,0,0|0,0,0]=1 162 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O PI-49806 [0,1,0,0,0,0|0,0,0]=1 163 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O PI-49807 [0,1,0,0,0,0|0,0,0]=1 164 B10R1.13 CC1=NC=C(C=C1)C(=O)C PI-34864 [0,1,0,0,0,0|1,0,2]=4 165 B10R1.13 CN(C)C1=CC=C(C=C1)N PI-29738 [0,1,0,0,0,0|2,0,0]=3 166 B10R1.13 CN(C)C1=CC=C(C=C1)S PI-23412 [0,1,0,0,0,0|2,0,0]=3 167 B10R1.13 CN(C)C1=NC=C(Br)C=C1 PI-46676 [0,1,0,0,0,0|3,0,0]=4 168 B10R1.13 CN(C)C1=NC=C(C=C1)N PI-33882 [0,1,0,0,0,0|3,0,0]=4 169 B10R1.13 CN(c1ccc(cc1)Br)C PI-32601 [0,1,0,0,0,0|2,0,0]=3 170 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 PI-37362 [0,1,0,0,0,0|0,0,0]=1 171 B10R1.13 C[C@@H](c1ccc(cc1)Br)N PI-16658 [0,1,0,0,0,0|1,0,0]=2 172 B10R1.13 C[C@@H](c1ccc(cc1)Cl)O PI-36982 [0,1,0,0,0,0|0,0,0]=1 173 B10R1.13 C[C@@H](c1ccc(cc1)F)N PI-43974 [0,1,0,0,0,0|1,0,0]=2 174 B10R1.13 C[C@H](C1=CC=C(C=C1)O)O PI-49819 [0,1,0,0,0,0|0,0,0]=1 175 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 PI-41877 [0,1,0,0,0,0|2,0,0]=3 176 B10R1.13 C[C@H](c1ccc(cc1)Cl)O PI-36954 [0,1,0,0,0,0|0,0,0]=1 177 B10R1.13 Cc1ccc(cc1)C(C)C PI-39397 [0,1,0,0,0,0|1,0,0]=2 178 B10R1.13 Cc1ccc(cc1)S(=O)O PI-38460 [0,1,0,0,0,0|2,0,0]=3 179 B10R1.13 Cc1ccc(cn1)C(=O)O PI-16698 [0,1,0,0,0,0|2,0,1]=4 180 B10R1.13 ClC(=O)c1ccc(Cl)cc1 PI-34309 [0,1,0,0,0,0|1,0,2]=4 181 B10R1.13 ClC(=O)c1ccc(cc1)Br PI-11966 [0,1,0,0,0,0|1,0,2]=4 182 B10R1.13 ClC(=O)c1ccc(cc1)C PI-32402 [0,1,0,0,0,0|1,0,2]=4 183 B10R1.13 Clc1ccc(cc1)B(O)O PI-10311 [0,1,0,0,0,0|2,0,0]=3 184 B10R1.13 Clc1ccc(cn1)B(O)O PI-25579 [0,1,0,0,0,0|3,0,0]=4 185 B10R1.13 Fc1ccc(cc1)B(O)O PI-31092 [0,1,0,0,0,0|2,0,0]=3 186 B10R1.13 Fc1ccc(cc1)C(=O)O PI-16490 [0,1,0,0,0,0|1,0,1]=3 187 B10R1.13 Fc1ccc(cc1)C(C)O PI-32580 [0,1,0,0,0,0|0,0,0]=1 188 B10R1.13 Fc1ccc(cc1)[N+](=O)[O-] PI-33135 [0,1,0,0,0,0|2,0,1]=4 189 B10R1.13 IC1=CC=C(B(O)O)C=C1 PI-33000 [0,1,0,0,0,0|2,0,0]=3 190 B10R1.13 NC(=N)c1ccc(cc1)Cl PI-30146 [0,1,0,0,0,0|2,0,1]=4 191 B10R1.13 NC(=O)c1ccc(cc1)Br PI-30860 [0,1,0,0,0,0|1,0,2]=4 192 B10R1.13 NC(=S)c1ccc(cc1)Cl PI-30378 [0,1,0,0,0,0|1,1,1]=4 193 B10R1.13 NC(=S)c1ccc(cc1)O PI-20877 [0,1,0,0,0,0|1,1,1]=4 194 B10R1.13 Nc1ccc(cc1)B(O)O PI-31529 [0,1,0,0,0,0|2,0,0]=3 195 B10R1.13 Nc1ccc(cc1)C(=O)N PI-38043 [0,1,0,0,0,0|1,0,2]=4 196 B10R1.13 Nc1ccc(cc1)N(C)C PI-29785 [0,1,0,0,0,0|2,0,0]=3 197 B10R1.13 Nc1ccc(cc1)N(C)C PI-30690 [0,1,0,0,0,0|2,0,0]=3 198 B10R1.13 Nc1ccc(nc1)C(=O)O PI-10173 [0,1,0,0,0,0|2,0,1]=4 199 B10R1.13 Nc1ccc(nc1)C(C)C PI-38600 [0,1,0,0,0,0|2,0,0]=3 200 B10R1.13 Nc1ccc(nc1)N(C)C PI-36330 [0,1,0,0,0,0|3,0,0]=4 201 B10R1.13 O=C(N)C1=CC=C(I)C=C1 PI-41985 [0,1,0,0,0,0|1,0,2]=4 202 B10R1.13 O=[S@@](C1=CC=C(C)C=C1)N PI-41430 [0,1,0,0,0,0|2,0,1]=4 203 B10R1.13 O=[S@](C1=CC=C(C)C=C1)N PI-41427 [0,1,0,0,0,0|2,0,1]=4 204 B10R1.13 OB(c1ccc(cc1)C)O PI-35795 [0,1,0,0,0,0|2,0,0]=3 205 B10R1.13 Oc1ccc(cc1)C(=N)N PI-20730 [0,1,0,0,0,0|2,0,1]=4 206 B10R1.13 Sc1ccc(cc1)[N+](=O)[O-] PI-21365 [0,1,0,0,0,0|2,0,1]=4 207 B10R1.13 [O-]C1=CC=C([N+]([O-])=O)C=C1 PI-37341 [0,1,0,0,0,0|2,0,1]=4 208 B10R1.15 BrCC(=O)c1ccccn1 PI-20524 [0,1,0,0,0,0|1,0,2]=4 209 B10R1.15 BrCC(=O)c1ccncc1 PI-20526 [0,1,0,0,0,0|1,0,2]=4 210 B10R1.15 C1=CC(=CN=C1)C(=NO)N PI-34835 [0,1,0,0,0,0|2,0,1]=4 211 B10R1.15 C1=CC(=CN=C1)C(=O)CBr PI-20525 [0,1,0,0,0,0|1,0,2]=4 212 B10R1.15 C1=CC=C(C=C1)C(=O)C#N PI-11000 [0,1,0,0,0,0|0,0,3]=4 213 B10R1.15 C1=CC=C(C=C1)C(=O)C=O PI-30054 [0,1,0,0,0,0|0,0,3]=4 214 B10R1.15 C1=CC=C(C=C1)C(=O)NO PI-10934 [0,1,0,0,0,0|1,0,1]=3 215 B10R1.15 C1=CC=C(C=C1)C(C#N)O PI-38881 [0,1,0,0,0,0|0,0,1]=2 216 B10R1.15 C1=CC=C(C=C1)C(CCl)O PI-42549 [0,1,0,0,0,0|0,0,0]=1 217 B10R1.15 C1=CC=C(C=C1)C(CCl)O PI-42550 [0,1,0,0,0,0|0,0,0]=1 218 B10R1.15 C1=CC=C(C=C1)C(CN)O PI-30384 [0,1,0,0,0,0|0,0,0]=1 219 B10R1.15 C1=CC=C(C=C1)C(CO)O PI-19178 [0,1,0,0,0,0|0,0,0]=1 220 B10R1.15 CC(=NO)C1=CC=CC=C1 PI-29764 [0,1,0,0,0,0|0,0,1]=2 221 B10R1.15 CC(C1=CC=CC=C1)NC PI-26776 [0,1,0,0,0,0|1,0,0]=2 222 B10R1.15 CC(CN)C1=CC=CC=C1 PI-10356 [0,1,0,0,0,0|1,0,0]=2 223 B10R1.15 CCC(=O)c1ccncc1 PI-36821 [0,1,0,0,0,0|1,0,2]=4 224 B10R1.15 CCC(C1=CC=CC=C1)N PI-16663 [0,1,0,0,0,0|1,0,0]=2 225 B10R1.15 CCC(O)c1ccccc1 PI-31770 [0,1,0,0,0,0|0,0,0]=1 226 B10R1.15 CCN(C)C1=CC=CC=C1 PI-35465 [0,1,0,0,0,0|2,0,0]=3 227 B10R1.15 CCN(C1=CC=CC=C1)N PI-29822 [0,1,0,0,0,0|2,0,0]=3 228 B10R1.15 CC[C@@H](C1=CC=CC=C1)O PI-49816 [0,1,0,0,0,0|0,0,0]=1 229 B10R1.15 CC[C@@H](c1ccccc1)N PI-16662 [0,1,0,0,0,0|1,0,0]=2 230 B10R1.15 CC[C@H](C1=CC=CC=C1)O PI-49815 [0,1,0,0,0,0|0,0,0]=1 231 B10R1.15 CNC(=O)c1ccccc1 PI-29765 [0,1,0,0,0,0|0,0,2]=3 232 B10R1.15 COC(=N)C1=CC=CC=C1 PI-19741 [0,1,0,0,0,0|1,0,1]=3 233 B10R1.15 COC(=N)C1=CC=CC=N1 PI-46993 [0,1,0,0,0,0|2,0,1]=4 234 B10R1.15 COC(=O)C1=CN=CC=C1 PI-33274 [0,1,0,0,0,0|1,0,2]=4 235 B10R1.15 COC(=O)c1ccccn1 PI-33273 [0,1,0,0,0,0|1,0,2]=4 236 B10R1.15 C[C@H](CN)c1ccccc1 PI-10355 [0,1,0,0,0,0|1,0,0]=2 237 B10R1.15 NCC(=O)c1ccccc1 PI-29691 [0,1,0,0,0,0|0,0,2]=3 238 B10R1.15 NCC(O)c1ccccc1 PI-17268 [0,1,0,0,0,0|0,0,0]=1 239 B10R1.15 NC[C@H](c1ccccc1)O PI-30721 [0,1,0,0,0,0|0,0,0]=1 240 B10R1.15 OC(C1=CC=CC=C1)CO PI-39570 [0,1,0,0,0,0|0,0,0]=1 241 B10R1.15 OCC(=O)c1ccccc1 PI-11851 [0,1,0,0,0,0|0,0,2]=3 242 B10R1.15 OC[C@@H](N)c1ccccc1 PI-16634 [0,1,0,0,0,0|1,0,0]=2 243 B10R1.15 OC[C@@H](c1ccccc1)N PI-16633 [0,1,0,0,0,0|1,0,0]=2 244 B10R1.15 OC[C@H](c1ccccc1)O PI-17035 [0,1,0,0,0,0|0,0,0]=1 245 B10R1.15 O\N=C(/c1ccccc1)\Cl PI-23127 [0,1,0,0,0,0|1,0,1]=3 246 B10R1.15 O\N=C(\c1ccccc1)/N PI-14770 [0,1,0,0,0,0|1,0,1]=3 247 B10R1.28 C1=CC(=CN=C1)C(F)(F)F PI-16950 [0,1,0,0,0,0|3,0,0]=4 248 B10R1.28 C1=CC=C(C=C1)S(=O)(=O)[O-] PI-17596 [0,1,0,0,0,0|2,0,1]=4 249 B10R1.28 CC(C)(C)c1ccncc1 PI-38985 [0,1,0,0,0,0|2,0,0]=3 250 B10R1.28 CC(O)(C1=CC=CC=C1)C PI-37326 [0,1,0,0,0,0|0,0,0]=1 251 B10R1.28 CC(c1ccccc1)(Cl)C PI-21943 [0,1,0,0,0,0|1,0,0]=2 252 B10R1.28 CP(=O)(C1=CC=CC=C1)O PI-30611 [0,1,0,0,0,0|1,0,0]=2 253 B10R1.28 CS(=O)(=O)c1ccccc1 PI-24312 [0,1,0,0,0,0|1,0,1]=3 254 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 PI-30419 [0,1,0,0,0,0|2,0,0]=3 255 B10R1.28 C[N+](c1ccccc1)(C)C PI-39595 [0,1,0,0,0,0|2,0,0]=3 256 B10R1.28 C[Si](C)(C)C1=CC=CC=N1 PI-35345 [0,1,0,0,0,0|2,1,0]=4 257 B10R1.28 C[Si](C)(C1=CC=CC=C1)Cl PI-46048 [0,1,0,0,0,0|1,1,0]=3 258 B10R1.28 C[Si](C)(C1=CC=CC=C1)F PI-23923 [0,1,0,0,0,0|1,1,0]=3 259 B10R1.28 FC(F)(F)c1ccccc1 PI-34216 [0,1,0,0,0,0|2,0,0]=3 260 B10R1.28 FC(c1ccncc1)(F)F PI-16951 [0,1,0,0,0,0|3,0,0]=4 261 B10R1.28 OS(=O)(=O)c1cccnc1 PI-33168 [0,1,0,0,0,0|3,0,0]=4 262 B10R1.28 OS(=O)(=O)c1ccncc1 PI-40970 [0,1,0,0,0,0|3,0,0]=4 263 B10R1.61 B(C1=C(C=NC=C1)Cl)(O)O PI-25587 [0,1,0,0,0,0|3,0,0]=4 264 B10R1.61 B(C1=C(N=CC=C1)Br)(O)O PI-25583 [0,1,0,0,0,0|3,0,0]=4 265 B10R1.61 B(C1=CC=CC=C1N)(O)O PI-31530 [0,1,0,0,0,0|2,0,0]=3 266 B10R1.61 C1=CC(=C(N=C1)Br)C(=O)O PI-28439 [0,1,0,0,0,0|2,0,1]=4 267 B10R1.61 C1=CC=C(C(=C1)C(=O)N)Br PI-20527 [0,1,0,0,0,0|1,0,2]=4 268 B10R1.61 C1=CC=C(C(=C1)C(=O)N)Cl PI-23128 [0,1,0,0,0,0|1,0,2]=4 269 B10R1.61 C1=CC=C(C(=C1)C(=O)N)F PI-27598 [0,1,0,0,0,0|1,0,2]=4 270 B10R1.61 C1=CC=C(C(=C1)C(=O)O)I PI-18960 [0,1,0,0,0,0|1,0,1]=3 271 B10R1.61 C1=CC=C(C(=C1)C(=O)O)S PI-40146 [0,1,0,0,0,0|1,0,1]=3 272 B10R1.61 C1=CC=C(C(=C1)C(=O)[O-])F PI-28576 [0,1,0,0,0,0|1,0,2]=4 273 B10R1.61 C1=CC=C(C(=C1)C(=S)N)N PI-17294 [0,1,0,0,0,0|1,1,1]=4 274 B10R1.61 C1=CC=C(C(=C1)C(Cl)Cl)F PI-19438 [0,1,0,0,0,0|2,0,0]=3 275 B10R1.61 C1=CC=CC(=C1B(O)O)Br PI-39926 [0,1,0,0,0,0|2,0,0]=3 276 B10R1.61 C1=CN=CC(=C1Br)C(=O)O PI-42057 [0,1,0,0,0,0|2,0,1]=4 277 B10R1.61 C1=CN=CC(=C1C(=O)O)F PI-34435 [0,1,0,0,0,0|2,0,1]=4 278 B10R1.61 C1=CN=CC(=C1C(=O)O)N PI-33158 [0,1,0,0,0,0|2,0,1]=4 279 B10R1.61 C1=CNC(=S)C(=C1)C(=O)O PI-16712 [0,1,0,0,0,0|2,0,1]=4 280 B10R1.61 C1=CNC=C(C1=O)C(=O)O PI-32174 [0,1,0,0,0,0|2,0,1]=4 281 B10R1.61 CC(=O)C1=C(C=NC=C1)N PI-48174 [0,1,0,0,0,0|1,0,2]=4 282 B10R1.61 CC(=O)C1=CC=CC=C1Br PI-12211 [0,1,0,0,0,0|0,0,2]=3 283 B10R1.61 CC(=O)C1=CC=CC=C1Cl PI-11622 [0,1,0,0,0,0|0,0,2]=3 284 B10R1.61 CC(=O)C1=CC=CC=C1F PI-16975 [0,1,0,0,0,0|0,0,2]=3 285 B10R1.61 CC(=O)C1=CC=CC=C1N PI-29399 [0,1,0,0,0,0|0,0,2]=3 286 B10R1.61 CC(=O)c1ccccc1I PI-29345 [0,1,0,0,0,0|0,0,2]=3 287 B10R1.61 CC(=O)c1ccccc1N PI-11796 [0,1,0,0,0,0|0,0,2]=3 288 B10R1.61 CC(C)c1ccccc1S PI-17353 [0,1,0,0,0,0|1,0,0]=2 289 B10R1.61 CC(C1=CC=CC=C1Cl)O PI-32584 [0,1,0,0,0,0|0,0,0]=1 290 B10R1.61 CC(C1=CC=CC=C1F)O PI-32582 [0,1,0,0,0,0|0,0,0]=1 291 B10R1.61 CC(O)C1=CC=CC=C1N PI-46775 [0,1,0,0,0,0|0,0,0]=1 292 B10R1.61 CC(c1ccccc1Br)C PI-21543 [0,1,0,0,0,0|1,0,0]=2 293 B10R1.61 CC1=C(C=CN=C1)C(=O)O PI-48282 [0,1,0,0,0,0|2,0,1]=4 294 B10R1.61 CC1=C(C=NC=C1)C(=O)O PI-48296 [0,1,0,0,0,0|2,0,1]=4 295 B10R1.61 CC1=CC=CC=C1C(=O)C PI-12963 [0,1,0,0,0,0|0,0,2]=3 296 B10R1.61 CC1=CC=CC=C1C(=O)Cl PI-34221 [0,1,0,0,0,0|1,0,2]=4 297 B10R1.61 C[C@@H](C1=CC=CC=C1Br)O PI-50016 [0,1,0,0,0,0|0,0,0]=1 298 B10R1.61 C[C@@H](C1=CC=CC=C1F)O PI-50014 [0,1,0,0,0,0|0,0,0]=1 299 B10R1.61 C[C@H](C1=CC=CC=C1Br)O PI-50015 [0,1,0,0,0,0|0,0,0]=1 300 B10R1.61 C[C@H](C1=CC=CC=C1F)O PI-50013 [0,1,0,0,0,0|0,0,0]=1 301 B10R1.61 ClC(=O)c1ccccc1F PI-11847 [0,1,0,0,0,0|1,0,2]=4 302 B10R1.61 FC(F)c1ccccc1Br PI-21634 [0,1,0,0,0,0|2,0,0]=3 303 B10R1.61 NC(=S)c1ccccc1Br PI-22612 [0,1,0,0,0,0|1,1,1]=4 304 B10R1.61 NC(C1=CC=CC=C1O)=S PI-20875 [0,1,0,0,0,0|1,1,1]=4 305 B10R1.61 O=C(C1=C(Cl)C=NC=C1)O PI-37397 [0,1,0,0,0,0|2,0,1]=4 306 B10R1.61 OB(c1ccccc1C)O PI-10305 [0,1,0,0,0,0|2,0,0]=3 307 B10R1.61 OB(c1ccccc1F)O PI-28003 [0,1,0,0,0,0|2,0,0]=3 308 B10R1.61 OB(c1ccccc1O)O PI-37992 [0,1,0,0,0,0|2,0,0]=3 309 B10R1.61 OB(c1cccnc1Cl)O PI-25528 [0,1,0,0,0,0|3,0,0]=4 310 B10R1.61 OB(c1cccnc1F)O PI-25252 [0,1,0,0,0,0|3,0,0]=4 311 B10R1.61 OB(c1cnccc1C)O PI-25173 [0,1,0,0,0,0|3,0,0]=4 312 B10R1.61 OC(=O)c1ccccc1F PI-16976 [0,1,0,0,0,0|1,0,1]=3 313 B10R1.61 OC(=O)c1cccnc1Cl PI-31141 [0,1,0,0,0,0|2,0,1]=4 314 B10R1.61 OC(=O)c1cccnc1F PI-16387 [0,1,0,0,0,0|2,0,1]=4 315 B10R1.61 OC(=O)c1cccnc1N PI-31221 [0,1,0,0,0,0|2,0,1]=4 316 B10R1.61 OC(=O)c1cccnc1O PI-16700 [0,1,0,0,0,0|2,0,1]=4 317 B10R1.61 OC(=O)c1ccncc1Br PI-28140 [0,1,0,0,0,0|2,0,1]=4 318 B10R1.61 OC(=O)c1ccncc1I PI-38273 [0,1,0,0,0,0|2,0,1]=4 319 B10R1.61 OC(=O)c1ccncc1N PI-10177 [0,1,0,0,0,0|2,0,1]=4 320 B10R1.61 OC(=O)c1ccncc1O PI-28020 [0,1,0,0,0,0|2,0,1]=4 321 B10R1.61 OC(=O)c1cnccc1Cl PI-24019 [0,1,0,0,0,0|2,0,1]=4 322 B10R1.61 OC(=O)c1cnccc1N PI-10029 [0,1,0,0,0,0|2,0,1]=4 323 B10R1.61 OC(=O)c1ncccc1Br PI-28360 [0,1,0,0,0,0|2,0,1]=4 324 B10R1.61 OC(=O)c1ncccc1Cl PI-34714 [0,1,0,0,0,0|2,0,1]=4 325 B10R1.61 OC(=O)c1ncccc1F PI-34434 [0,1,0,0,0,0|2,0,1]=4 326 B10R1.61 OC(=O)c1ncccc1N PI-14129 [0,1,0,0,0,0|2,0,1]=4 327 B10R1.61 OC(=O)c1ncccc1O PI-16553 [0,1,0,0,0,0|2,0,1]=4 328 B10R1.61 SC1=CC=CC=C1B(O)O PI-40744 [0,1,0,0,0,0|2,0,0]=3 329 B10R1.61 [O-][N+](=O)c1ccccc1Cl PI-34106 [0,1,0,0,0,0|2,0,1]=4 330 B10R1.61 [O-][N+](=O)c1ccccc1F PI-33137 [0,1,0,0,0,0|2,0,1]=4 331 B10R1.61 [O-][N+](=O)c1ccccc1S PI-17367 [0,1,0,0,0,0|2,0,1]=4 332 B10R1.113 B(C1=CC(=CC=C1)Br)(O)O PI-25960 [0,1,0,0,0,0|2,0,0]=3 333 B10R1.113 B(C1=CC(=CC=C1)C)(O)O PI-11574 [0,1,0,0,0,0|2,0,0]=3 334 B10R1.113 B(C1=CC(=CC=C1)N)(O)O PI-25874 [0,1,0,0,0,0|2,0,0]=3 335 B10R1.113 B(C1=CC(=CC=C1)N)(O)O PI-30837 [0,1,0,0,0,0|2,0,0]=3 336 B10R1.113 B(C1=CC(=CC=C1)O)(O)O PI-25936 [0,1,0,0,0,0|2,0,0]=3 337 B10R1.113 B(C1=CC(=CN=C1)Br)(O)O PI-25584 [0,1,0,0,0,0|3,0,0]=4 338 B10R1.113 B(C1=CC(=CN=C1)C)(O)O PI-25250 [0,1,0,0,0,0|3,0,0]=4 339 B10R1.113 B(C1=CC(=NC=C1)Cl)(O)O PI-25586 [0,1,0,0,0,0|3,0,0]=4 340 B10R1.113 B(C1=NC(=CC=C1)Br)(O)O PI-33786 [0,1,0,0,0,0|3,0,0]=4 341 B10R1.113 B(C1=NC=CC(=C1)C)(O)O PI-25498 [0,1,0,0,0,0|3,0,0]=4 342 B10R1.113 Brc1cccc(c1)C(=N)N PI-30204 [0,1,0,0,0,0|2,0,1]=4 343 B10R1.113 Brc1cccc(c1)C(=O)Cl PI-11911 [0,1,0,0,0,0|1,0,2]=4 344 B10R1.113 Brc1cccc(c1)C(=O)O PI-12741 [0,1,0,0,0,0|1,0,1]=3 345 B10R1.113 Brc1cccc(c1)C(N)C PI-34608 [0,1,0,0,0,0|1,0,0]=2 346 B10R1.113 Brc1cccc(c1)[C@@H](N)C PI-34607 [0,1,0,0,0,0|1,0,0]=2 347 B10R1.113 Brc1cccc(c1)[N+](=O)[O-] PI-13640 [0,1,0,0,0,0|2,0,1]=4 348 B10R1.113 Brc1cccc(n1)C(=O)O PI-16042 [0,1,0,0,0,0|2,0,1]=4 349 B10R1.113 Brc1nccc(c1)C(=O)O PI-28742 [0,1,0,0,0,0|2,0,1]=4 350 B10R1.113 C1=C(C=NC=C1Br)C(=O)O PI-22834 [0,1,0,0,0,0|2,0,1]=4 351 B10R1.113 C1=C(C=NC=C1Cl)C(=O)O PI-13096 [0,1,0,0,0,0|2,0,1]=4 352 B10R1.113 C1=C(C=NC=C1F)C(=O)O PI-19548 [0,1,0,0,0,0|2,0,1]=4 353 B10R1.113 C1=C(C=NC=C1N)C(=O)O PI-10028 [0,1,0,0,0,0|2,0,1]=4 354 B10R1.113 C1=CC(=CC(=C1)Br)C(=S)N PI-22613 [0,1,0,0,0,0|1,1,1]=4 355 B10R1.113 C1=CC(=CC(=C1)Br)C(F)F PI-21635 [0,1,0,0,0,0|2,0,0]=3 356 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)Cl PI-12189 [0,1,0,0,0,0|1,0,2]=4 357 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)N PI-23129 [0,1,0,0,0,0|1,0,2]=4 358 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)O PI-34230 [0,1,0,0,0,0|1,0,1]=3 359 B10R1.113 C1=CC(=CC(=C1)Cl)C(=S)N PI-15665 [0,1,0,0,0,0|1,1,1]=4 360 B10R1.113 C1=CC(=CC(=C1)Cl)C(Cl)Cl PI-19154 [0,1,0,0,0,0|2,0,0]=3 361 B10R1.113 C1=CC(=CC(=C1)F)C(=O)Cl PI-12124 [0,1,0,0,0,0|1,0,2]=4 362 B10R1.113 C1=CC(=CC(=C1)F)C(=O)O PI-10427 [0,1,0,0,0,0|1,0,1]=3 363 B10R1.113 C1=CC(=CC(=C1)F)C(=O)[O-] PI-28584 [0,1,0,0,0,0|1,0,2]=4 364 B10R1.113 C1=CC(=CC(=C1)F)C(Cl)Cl PI-19546 [0,1,0,0,0,0|2,0,0]=3 365 B10R1.113 C1=CC(=NC(=C1)N)C(=O)O PI-24258 [0,1,0,0,0,0|2,0,1]=4 366 B10R1.113 C1=CN=C(C=C1Br)C(=O)O PI-35911 [0,1,0,0,0,0|2,0,1]=4 367 B10R1.113 C1=CN=C(C=C1C(=O)O)Cl PI-16713 [0,1,0,0,0,0|2,0,1]=4 368 B10R1.113 C1=CN=C(C=C1C(=O)O)N PI-28116 [0,1,0,0,0,0|2,0,1]=4 369 B10R1.113 C1=CN=C(C=C1Cl)C(=O)O PI-34707 [0,1,0,0,0,0|2,0,1]=4 370 B10R1.113 C1=CNC(=CC1=O)C(=O)O PI-34877 [0,1,0,0,0,0|2,0,1]=4 371 B10R1.113 C1=CNC(=O)C=C1C(=O)O PI-28282 [0,1,0,0,0,0|2,0,1]=4 372 B10R1.113 CC(=O)C1=CC(=CC=C1)I PI-29141 [0,1,0,0,0,0|0,0,2]=3 373 B10R1.113 CC(=O)C1=CC(=CN=C1)Br PI-26605 [0,1,0,0,0,0|1,0,2]=4 374 B10R1.113 CC(C)C1=NC(=CC=C1)Cl PI-31678 [0,1,0,0,0,0|2,0,0]=3 375 B10R1.113 CC(C1=CC(=CC=C1)Br)O PI-19679 [0,1,0,0,0,0|0,0,0]=1 376 B10R1.113 CC(C1=CC(=CC=C1)Cl)O PI-32583 [0,1,0,0,0,0|0,0,0]=1 377 B10R1.113 CC(C1=CC(=CC=C1)F)N PI-34605 [0,1,0,0,0,0|1,0,0]=2 378 B10R1.113 CC(C1=CC(=CC=C1)F)N PI-34606 [0,1,0,0,0,0|1,0,0]=2 379 B10R1.113 CC(C1=CC(=CC=C1)F)O PI-32581 [0,1,0,0,0,0|0,0,0]=1 380 B10R1.113 CC1=CC(=CC=C1)C(=N)N PI-30283 [0,1,0,0,0,0|2,0,1]=4 381 B10R1.113 CC1=CC(=CC=C1)C(=O)C PI-10859 [0,1,0,0,0,0|0,0,2]=3 382 B10R1.113 CC1=CC(=CC=C1)N(C)N PI-29882 [0,1,0,0,0,0|2,0,0]=3 383 B10R1.113 CC1=CC(=CC=C1)[C@@H](C)O PI-49835 [0,1,0,0,0,0|0,0,0]=1 384 B10R1.113 CC1=CC(=CN=C1)C(=O)O PI-13102 [0,1,0,0,0,0|2,0,1]=4 385 B10R1.113 CC1=NC(=CC=C1)C(=O)O PI-31796 [0,1,0,0,0,0|2,0,1]=4 386 B10R1.113 CC1=NC=CC(C(C)=O)=C1 PI-46770 [0,1,0,0,0,0|1,0,2]=4 387 B10R1.113 C[C@@H](C1=CC(=CC=C1)Br)O PI-49804 [0,1,0,0,0,0|0,0,0]=1 388 B10R1.113 C[C@@H](O)C1=CC=CC(Br)=C1 PI-37056 [0,1,0,0,0,0|0,0,0]=1 389 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)O PI-17996 [0,1,0,0,0,0|2,0,1]=4 390 B10R1.113 Cc1cccc(n1)B(O)O PI-25500 [0,1,0,0,0,0|3,0,0]=4 391 B10R1.113 Clc1cccc(c1)B(O)O PI-11573 [0,1,0,0,0,0|2,0,0]=3 392 B10R1.113 Clc1cccc(c1)[C@@H](N)C PI-34603 [0,1,0,0,0,0|1,0,0]=2 393 B10R1.113 Clc1cccc(c1)[C@H](N)C PI-34604 [0,1,0,0,0,0|1,0,0]=2 394 B10R1.113 Clc1cccc(n1)C(=O)O PI-10178 [0,1,0,0,0,0|2,0,1]=4 395 B10R1.113 Clc1cncc(c1)B(O)O PI-25937 [0,1,0,0,0,0|3,0,0]=4 396 B10R1.113 Clc1nccc(c1)C(=O)C PI-38296 [0,1,0,0,0,0|1,0,2]=4 397 B10R1.113 Fc1cccc(c1)B(O)O PI-23443 [0,1,0,0,0,0|2,0,0]=3 398 B10R1.113 Fc1cccc(c1)C(=O)C PI-28549 [0,1,0,0,0,0|0,0,2]=3 399 B10R1.113 Fc1cccc(c1)[N+](=O)[O-] PI-16966 [0,1,0,0,0,0|2,0,1]=4 400 B10R1.113 Fc1cccc(n1)C(=O)O PI-34433 [0,1,0,0,0,0|2,0,1]=4 401 B10R1.113 Fc1nccc(c1)B(O)O PI-25543 [0,1,0,0,0,0|3,0,0]=4 402 B10R1.113 Fc1nccc(c1)C(=O)O PI-19547 [0,1,0,0,0,0|2,0,1]=4 403 B10R1.113 Ic1cccc(c1)C(=O)O PI-12091 [0,1,0,0,0,0|1,0,1]=3 404 B10R1.113 Ic1nccc(c1)C(=O)O PI-36519 [0,1,0,0,0,0|2,0,1]=4 405 B10R1.113 NC(C1=CC=CC(O)=C1)=S PI-20876 [0,1,0,0,0,0|1,1,1]=4 406 B10R1.113 Nc1cccc(c1)B(O)O PI-16837 [0,1,0,0,0,0|2,0,0]=3 407 B10R1.113 Nc1cccc(c1)C(=O)C PI-32567 [0,1,0,0,0,0|0,0,2]=3 408 B10R1.113 Nc1cccc(c1)C(=O)N PI-30514 [0,1,0,0,0,0|1,0,2]=4 409 B10R1.113 Nc1cccc(c1)N(C)C PI-30522 [0,1,0,0,0,0|2,0,0]=3 410 B10R1.113 O=C(C1=CC(C)=NC=C1)O PI-36276 [0,1,0,0,0,0|2,0,1]=4 411 B10R1.113 O=C(C1=CC(C=CO1)=O)O PI-40052 [0,1,0,0,0,0|2,0,1]=4 412 B10R1.113 OC(=O)c1cccc(O)n1 PI-16038 [0,1,0,0,0,0|2,0,1]=4 413 B10R1.113 Oc1cccc(c1)C(=O)C PI-31363 [0,1,0,0,0,0|0,0,2]=3 414 B10R1.113 Oc1cccc(c1)C(=O)N PI-30785 [0,1,0,0,0,0|1,0,2]=4 415 B10R1.113 Oc1cccc(c1)C(=O)O PI-33399 [0,1,0,0,0,0|1,0,1]=3 416 B10R1.113 Oc1cccc(c1)[N+](=O)[O-] PI-11942 [0,1,0,0,0,0|2,0,1]=4 417 B10R1.113 Oc1cncc(c1)C(=O)O PI-10172 [0,1,0,0,0,0|2,0,1]=4 418 B10R1.113 S=C(N)C1=CC=CC(C)=C1 PI-19344 [0,1,0,0,0,0|1,1,1]=4 419 B10R1.113 Sc1cccc(c1)N(C)C PI-23411 [0,1,0,0,0,0|2,0,0]=3 420 B10R2.6 C1CC1c2ccccc2 PI-17840 [0,0,0,1,0,0|1,0,0]=2 421 B10R2.6 O1C[C@@H]1c2ccccc2 PI-10841 [0,0,0,1,0,0|0,0,0]=1 422 B10R2.6 O1C[C@H]1c2ccccc2 PI-10838 [0,0,0,1,0,0|0,0,0]=1 423 B10R2.320 C1=CC=CC2=C1CC2=O PI-40938 [0,0,0,1,0,0|0,0,2]=3 424 B10R2.320 C1C(C2=CC=CC=C21)Br PI-40935 [0,0,0,1,0,0|1,0,0]=2 425 B8R1.7 B(C1=CNC=C1)(O)O PI-33181 [0,0,0,0,1,0|3,0,0]=4 426 B8R1.7 B(C1=CSC=C1)(O)O PI-28689 [0,0,0,0,1,0|3,0,0]=4 427 B8R1.7 C1=CNC=C1C(=O)O PI-34087 [0,0,0,0,1,0|2,0,1]=4 428 B8R1.7 C1=CNC=C1C(=O)O PI-48299 [0,0,0,0,1,0|2,0,1]=4 429 B8R1.7 C1=COC=C1C(=O)O PI-16502 [0,0,0,0,1,0|2,0,1]=4 430 B8R1.7 CC(=O)C1=CC=CN1 PI-12083 [0,0,0,0,1,0|1,0,2]=4 431 B8R1.7 CC(=O)c1cscc1 PI-16499 [0,0,0,0,1,0|1,0,2]=4 432 B8R1.7 CC(C)C1=NC=CN1 PI-31819 [0,0,0,0,1,0|3,0,0]=4 433 B8R1.7 CC(C)n1cncc1 PI-31687 [0,0,0,0,1,0|3,0,0]=4 434 B8R1.7 CC(C1=CC=CS1)O PI-12508 [0,0,0,0,1,0|1,0,0]=2 435 B8R1.7 CC(C1=CC=C[CH-]1)O PI-44457 [0,0,0,0,1,0|0,0,1]=2 436 B8R1.7 CC(N)C1=CC=CS1 PI-40007 [0,0,0,0,1,0|2,0,0]=3 437 B8R1.7 CC(c1cc[nH]n1)C PI-34763 [0,0,0,0,1,0|3,0,0]=4 438 B8R1.7 C[C@@H](O)c1cccs1 PI-12507 [0,0,0,0,1,0|1,0,0]=2 439 B8R1.7 OB(c1ccco1)O PI-33002 [0,0,0,0,1,0|3,0,0]=4 440 B8R1.7 OB(c1cccs1)O PI-16529 [0,0,0,0,1,0|3,0,0]=4 441 B8R1.7 OB(c1cocc1)O PI-18685 [0,0,0,0,1,0|3,0,0]=4 442 B8R1.7 OC(=O)c1ccc[nH]1 PI-27813 [0,0,0,0,1,0|2,0,1]=4 443 B8R1.7 OC(=O)c1cccs1 PI-38239 [0,0,0,0,1,0|2,0,1]=4 444 B8R1.7 OC(=O)c1cscc1 PI-10764 [0,0,0,0,1,0|2,0,1]=4 445 B10R1.18 B(CC1=CC=CC=C1)(O)O PI-49945 [0,0,0,0,0,1|2,0,0]=3 446 B10R1.18 BrC(=Cc1ccccc1)Br PI-35682 [0,0,0,0,0,1|2,0,1]=4 447 B10R1.18 C1=CC(=CN=C1)CC(=O)O PI-13521 [0,0,0,0,0,1|2,0,1]=4 448 B10R1.18 C1=CC(=CN=C1)CC(=O)O PI-16758 [0,0,0,0,0,1|2,0,1]=4 449 B10R1.18 C1=CC=C(C=C1)N=C(N)N PI-11304 [0,0,0,0,0,1|2,0,1]=4 450 B10R1.18 C1=CC=C(C=C1)OC(=O)N PI-10948 [0,0,0,0,0,1|1,0,2]=4 451 B10R1.18 C1=CC=NC(=C1)CC(=O)O PI-16725 [0,0,0,0,0,1|2,0,1]=4 452 B10R1.18 CC(=CC1=CC=CC=C1)C PI-47118 [0,0,0,0,0,1|1,0,1]=3 453 B10R1.18 CC(=O)CC1=CC=NC=C1 PI-24530 [0,0,0,0,0,1|1,0,2]=4 454 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 PI-17935 [0,0,0,0,0,1|1,0,2]=4 455 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 PI-30609 [0,0,0,0,0,1|1,0,2]=4 456 B10R1.18 CC(C)NC1=CC=CC=C1 PI-11279 [0,0,0,0,0,1|1,0,0]=2 457 B10R1.18 CC(CC1=NC=CC=C1)=O PI-41787 [0,0,0,0,0,1|1,0,2]=4 458 B10R1.18 CC(Cc1ccccn1)C PI-13337 [0,0,0,0,0,1|2,0,0]=3 459 B10R1.18 ClC(=S)Oc1ccccc1 PI-13044 [0,0,0,0,0,1|1,1,1]=4 460 B10R1.18 NC(=Nc1ccccc1)N PI-20950 [0,0,0,0,0,1|2,0,1]=4 461 B10R1.18 OC(=O)Cc1cccnc1 PI-28588 [0,0,0,0,0,1|2,0,1]=4 462 B10R1.18 OC(=O)Cc1ccncc1 PI-16726 [0,0,0,0,0,1|2,0,1]=4 463 B7R1.3 Brc1cccnc1 PI-11914 [2,0,0,0,0,0|2,0,0]=4 464 B7R1.3 Brc1ccncc1 PI-10390 [2,0,0,0,0,0|2,0,0]=4 465 B7R1.3 C1=CC(=CN=C1)I PI-11390 [2,0,0,0,0,0|2,0,0]=4 466 B7R1.3 C1=CC(=CN=C1)O PI-44714 [2,0,0,0,0,0|1,0,0]=3 467 B7R1.3 C1=CC(=CN=C1)[O-] PI-42109 [2,0,0,0,0,0|1,0,1]=4 468 B7R1.3 C1=CC(=O)NC=C1 PI-13304 [2,0,0,0,0,0|1,0,1]=4 469 B7R1.3 C1=CC(=O)NC=C1 PI-49120 [2,0,0,0,0,0|1,0,1]=4 470 B7R1.3 C1=CC(=O)OC=C1 PI-46989 [2,0,0,0,0,0|1,0,1]=4 471 B7R1.3 C1=CC(=S)NC=C1 PI-11854 [2,0,0,0,0,0|1,1,0]=4 472 B7R1.3 C1=CC=C(C=C1)[Si] PI-45035 [2,0,0,0,0,0|0,1,0]=3 473 B7R1.3 C1=CC=NC(=C1)I PI-32173 [2,0,0,0,0,0|2,0,0]=4 474 B7R1.3 C1=CN=CC=C1Cl PI-16703 [2,0,0,0,0,0|2,0,0]=4 475 B7R1.3 C1=CN=CC=C1F PI-10293 [2,0,0,0,0,0|2,0,0]=4 476 B7R1.3 C1=CN=CC=C1F PI-28763 [2,0,0,0,0,0|2,0,0]=4 477 B7R1.3 C1=CN=CC=C1I PI-16167 [2,0,0,0,0,0|2,0,0]=4 478 B7R1.3 C1=CNC=CC1=S PI-33123 [2,0,0,0,0,0|1,1,0]=4 479 B7R1.3 C1=COC=CC1=O PI-43972 [2,0,0,0,0,0|1,0,1]=4 480 B7R1.3 CC1=CC=CC=N1 PI-38534 [2,0,0,0,0,0|1,0,0]=3 481 B7R1.3 CC1=CN=CN=C1 PI-21343 [2,0,0,0,0,0|2,0,0]=4 482 B7R1.3 CC1=CN=NC=C1 PI-31701 [2,0,0,0,0,0|2,0,0]=4 483 B7R1.3 CC1=NC=CN=C1 PI-48495 [2,0,0,0,0,0|2,0,0]=4 484 B7R1.3 C[N+]1=CC=CC=C1 PI-13346 [2,0,0,0,0,0|1,0,0]=3 485 B7R1.3 C[n+]1ccccc1 PI-17168 [2,0,0,0,0,0|1,0,0]=3 486 B7R1.3 Cc1ncccn1 PI-35192 [2,0,0,0,0,0|2,0,0]=4 487 B7R1.3 Clc1cccnc1 PI-11921 [2,0,0,0,0,0|2,0,0]=4 488 B7R1.3 Fc1ccccn1 PI-11583 [2,0,0,0,0,0|2,0,0]=4 489 B7R1.3 Fc1cccnc1 PI-16759 [2,0,0,0,0,0|2,0,0]=4 490 B7R1.3 Ic1ccccc1 PI-37973 [2,0,0,0,0,0|1,0,0]=3 491 B7R1.3 N[n+]1ccccc1 PI-10984 [2,0,0,0,0,0|2,0,0]=4 492 B7R1.3 O=C1C=CNC=C1 PI-33984 [2,0,0,0,0,0|1,0,1]=4 493 B7R1.3 Oc1cncnc1 PI-36495 [2,0,0,0,0,0|2,0,0]=4 494 B7R1.3 [S-]c1ccccc1 PI-17985 [2,0,0,0,0,0|0,1,0]=3 495 B9R1.1 BrCc1ccc(Br)cc1 PI-11967 [1,1,0,0,0,0|1,0,0]=3 496 B9R1.1 BrCc1ccc(Cl)cc1 PI-15674 [1,1,0,0,0,0|1,0,0]=3 497 B9R1.1 BrCc1ccc(I)cc1 PI-16508 [1,1,0,0,0,0|1,0,0]=3 498 B9R1.1 Brc1ccc(cc1)[N+]#N PI-10983 [1,1,0,0,0,0|2,0,0]=4 499 B9R1.1 C#CC1=CC=C(C=C1)Br PI-30915 [1,1,0,0,0,0|0,0,2]=4 500 B9R1.1 C#Cc1ccc(F)cc1 PI-30917 [1,1,0,0,0,0|0,0,2]=4 501 B9R1.1 C1=C(C=NC(=N1)N)CO PI-45149 [1,1,0,0,0,0|2,0,0]=4 502 B9R1.1 C1=CC(=CC=C1C#N)I PI-31146 [1,1,0,0,0,0|1,0,1]=4 503 B9R1.1 C1=CC(=CC=C1C#N)N PI-10997 [1,1,0,0,0,0|1,0,1]=4 504 B9R1.1 C1=CC(=CC=C1C=O)Cl PI-34386 [1,1,0,0,0,0|0,0,2]=4 505 B9R1.1 C1=CC(=CC=C1C=O)F PI-33068 [1,1,0,0,0,0|0,0,2]=4 506 B9R1.1 C1=CC(=CC=C1CBr)F PI-12706 [1,1,0,0,0,0|1,0,0]=3 507 B9R1.1 C1=CC(=CC=C1CCl)Br PI-20545 [1,1,0,0,0,0|1,0,0]=3 508 B9R1.1 C1=CC(=CC=C1CN)Cl PI-11469 [1,1,0,0,0,0|1,0,0]=3 509 B9R1.1 C1=CC(=CC=C1CN)I PI-33700 [1,1,0,0,0,0|1,0,0]=3 510 B9R1.1 C1=CC(=CC=C1CN)O PI-20736 [1,1,0,0,0,0|1,0,0]=3 511 B9R1.1 C1=CC(=CC=C1CO)F PI-16874 [1,1,0,0,0,0|0,0,0]=2 512 B9R1.1 C1=CC(=CC=C1CO)N PI-11961 [1,1,0,0,0,0|0,0,0]=2 513 B9R1.1 C1=CC(=CC=C1CS)F PI-23496 [1,1,0,0,0,0|0,1,0]=3 514 B9R1.1 C1=CC(=CC=C1NN)Br PI-14502 [1,1,0,0,0,0|2,0,0]=4 515 B9R1.1 C1=CC(=CC=C1NN)Br PI-50387 [1,1,0,0,0,0|2,0,0]=4 516 B9R1.1 C1=CC(=CC=C1NN)Br PI-50485 [1,1,0,0,0,0|2,0,0]=4 517 B9R1.1 C1=CC(=CC=C1NN)Cl PI-16438 [1,1,0,0,0,0|2,0,0]=4 518 B9R1.1 C1=CC(=CC=C1NN)Cl PI-50281 [1,1,0,0,0,0|2,0,0]=4 519 B9R1.1 C1=CC(=CC=C1NN)F PI-31312 [1,1,0,0,0,0|2,0,0]=4 520 B9R1.1 C1=CC(=CC=C1NN)I PI-29108 [1,1,0,0,0,0|2,0,0]=4 521 B9R1.1 C1=CC(=NC=C1CBr)Br PI-50654 [1,1,0,0,0,0|2,0,0]=4 522 B9R1.1 C1=CC(=NC=C1CO)N PI-44054 [1,1,0,0,0,0|1,0,0]=3 523 B9R1.1 C=Cc1ccc(cc1)Br PI-22599 [1,1,0,0,0,0|0,0,2]=4 524 B9R1.1 C=Cc1ccc(cc1)Cl PI-38314 [1,1,0,0,0,0|0,0,2]=4 525 B9R1.1 C=Cc1ccc(cc1)N PI-17562 [1,1,0,0,0,0|0,0,2]=4 526 B9R1.1 CC1=CC=C(C=C1)C#C PI-30916 [1,1,0,0,0,0|0,0,2]=4 527 B9R1.1 CC1=CC=C(C=C1)CBr PI-38678 [1,1,0,0,0,0|1,0,0]=3 528 B9R1.1 CCC1=CC=C(C=C1)Br PI-16231 [1,1,0,0,0,0|0,0,0]=2 529 B9R1.1 CCC1=CC=C(C=C1)Cl PI-19776 [1,1,0,0,0,0|0,0,0]=2 530 B9R1.1 CCC1=CC=C(C=C1)F PI-22092 [1,1,0,0,0,0|0,0,0]=2 531 B9R1.1 CCC1=CC=C(C=C1)S PI-13700 [1,1,0,0,0,0|0,0,0]=2 532 B9R1.1 CCC1=CN=C(N=C1)Cl PI-21315 [1,1,0,0,0,0|2,0,0]=4 533 B9R1.1 CCc1ccc(C)cc1 PI-36542 [1,1,0,0,0,0|0,0,0]=2 534 B9R1.1 CNC1=CC=C(C=C1)Cl PI-34211 [1,1,0,0,0,0|1,0,0]=3 535 B9R1.1 CNC1=CC=C(C=C1)N PI-10555 [1,1,0,0,0,0|1,0,0]=3 536 B9R1.1 CNC1=CN=C(C=C1)Cl PI-45925 [1,1,0,0,0,0|2,0,0]=4 537 B9R1.1 CNC1=NC=C(Br)C=C1 PI-46679 [1,1,0,0,0,0|2,0,0]=4 538 B9R1.1 CNc1ccc(cc1)Br PI-21585 [1,1,0,0,0,0|1,0,0]=3 539 B9R1.1 COC1=CC=C(C=C1)F PI-12219 [1,1,0,0,0,0|1,0,0]=3 540 B9R1.1 COC1=CC=C(C=C1)S PI-21363 [1,1,0,0,0,0|1,0,0]=3 541 B9R1.1 COC1=CN=C(C=C1)Br PI-45881 [1,1,0,0,0,0|2,0,0]=4 542 B9R1.1 COC1=NC=C(C=C1)F PI-16766 [1,1,0,0,0,0|2,0,0]=4 543 B9R1.1 COc1cc[n+]([O-])cc1 PI-26063 [1,1,0,0,0,0|2,0,0]=4 544 B9R1.1 COc1ccc(Cl)cc1 PI-34198 [1,1,0,0,0,0|1,0,0]=3 545 B9R1.1 COc1ccc(N)cn1 PI-16695 [1,1,0,0,0,0|2,0,0]=4 546 B9R1.1 COc1ccc(O)cn1 PI-26700 [1,1,0,0,0,0|2,0,0]=4 547 B9R1.1 COc1ccc(cc1)Br PI-34196 [1,1,0,0,0,0|1,0,0]=3 548 B9R1.1 COc1ccc(cc1)I PI-33808 [1,1,0,0,0,0|1,0,0]=3 549 B9R1.1 COc1ccc(cc1)O PI-31355 [1,1,0,0,0,0|1,0,0]=3 550 B9R1.1 COc1ccc(cn1)Br PI-22840 [1,1,0,0,0,0|2,0,0]=4 551 B9R1.1 CSC1=CC=C(C=C1)F PI-11986 [1,1,0,0,0,0|1,0,0]=3 552 B9R1.1 CSc1ccc(cc1)O PI-18075 [1,1,0,0,0,0|1,0,0]=3 553 B9R1.1 ClCc1ccc(Cl)nc1 PI-10395 [1,1,0,0,0,0|2,0,0]=4 554 B9R1.1 ClCc1ccc(F)cc1 PI-31364 [1,1,0,0,0,0|1,0,0]=3 555 B9R1.1 N#Cc1ccc(Br)cc1 PI-11462 [1,1,0,0,0,0|1,0,1]=4 556 B9R1.1 N#Cc1ccc(Cl)cc1 PI-11470 [1,1,0,0,0,0|1,0,1]=4 557 B9R1.1 N#Cc1ccc(cc1)F PI-16865 [1,1,0,0,0,0|1,0,1]=4 558 B9R1.1 N#Cc1ccc(cc1)O PI-35246 [1,1,0,0,0,0|1,0,1]=4 559 B9R1.1 NC1=CC=C(SC)C=C1 PI-11963 [1,1,0,0,0,0|1,0,0]=3 560 B9R1.1 NCc1ccc(F)cc1 PI-11985 [1,1,0,0,0,0|1,0,0]=3 561 B9R1.1 NCc1ccc(cc1)Br PI-20544 [1,1,0,0,0,0|1,0,0]=3 562 B9R1.1 NCc1ccc(cc1)Br PI-38542 [1,1,0,0,0,0|1,0,0]=3 563 B9R1.1 NCc1ccc(nc1)Cl PI-39010 [1,1,0,0,0,0|2,0,0]=4 564 B9R1.1 NNc1ccc(C)cc1 PI-13126 [1,1,0,0,0,0|2,0,0]=4 565 B9R1.1 O=Cc1ccc(Br)cc1 PI-12729 [1,1,0,0,0,0|0,0,2]=4 566 B9R1.1 O=Cc1ccc(cc1)I PI-27209 [1,1,0,0,0,0|0,0,2]=4 567 B9R1.1 O=Cc1ccc(cc1)O PI-37802 [1,1,0,0,0,0|0,0,2]=4 568 B9R1.1 OCc1ccc(Cl)nc1 PI-16749 [1,1,0,0,0,0|1,0,0]=3 569 B9R1.1 OCc1ccc(S)cc1 PI-35674 [1,1,0,0,0,0|0,0,0]=2 570 B9R1.1 OCc1ccc(cc1)Cl PI-11977 [1,1,0,0,0,0|0,0,0]=2 571 B9R1.1 OCc1ccc(cc1)I PI-33685 [1,1,0,0,0,0|0,0,0]=2 572 B9R1.1 OCc1ccc(cc1)O PI-29788 [1,1,0,0,0,0|0,0,0]=2 573 B9R1.1 OCc1ccc(cn1)Br PI-10546 [1,1,0,0,0,0|1,0,0]=3 574 B9R1.1 OCc1cnc(cn1)Cl PI-39045 [1,1,0,0,0,0|2,0,0]=4 575 B9R1.1 OCc1cnc(nc1)C PI-32943 [1,1,0,0,0,0|2,0,0]=4 576 B9R1.1 [C-]#[N+]C1=CC=C(C=C1)Br PI-22497 [1,1,0,0,0,0|1,0,1]=4 577 B9R1.2 BrCc1cccc(I)c1 PI-29628 [1,1,0,0,0,0|1,0,0]=3 578 B9R1.2 BrCc1cccc(c1)Br PI-13393 [1,1,0,0,0,0|1,0,0]=3 579 B9R1.2 BrCc1cccc(c1)Cl PI-23167 [1,1,0,0,0,0|1,0,0]=3 580 B9R1.2 C#CC1=CC(=CC=C1)Br PI-30913 [1,1,0,0,0,0|0,0,2]=4 581 B9R1.2 C#CC1=CC(=CC=C1)Cl PI-30914 [1,1,0,0,0,0|0,0,2]=4 582 B9R1.2 C#CC1=CC(=CC=C1)F PI-30388 [1,1,0,0,0,0|0,0,2]=4 583 B9R1.2 C#Cc1cccc(N)c1 PI-10850 [1,1,0,0,0,0|0,0,2]=4 584 B9R1.2 C1=C(C=NC=C1Br)CO PI-47170 [1,1,0,0,0,0|1,0,0]=3 585 B9R1.2 C1=C(C=NC=C1Cl)CO PI-34717 [1,1,0,0,0,0|1,0,0]=3 586 B9R1.2 C1=CC(=CC(=C1)Br)C#N PI-30857 [1,1,0,0,0,0|1,0,1]=4 587 B9R1.2 C1=CC(=CC(=C1)Br)CCl PI-35258 [1,1,0,0,0,0|1,0,0]=3 588 B9R1.2 C1=CC(=CC(=C1)Br)CO PI-10954 [1,1,0,0,0,0|0,0,0]=2 589 B9R1.2 C1=CC(=CC(=C1)Cl)CCl PI-34222 [1,1,0,0,0,0|1,0,0]=3 590 B9R1.2 C1=CC(=CC(=C1)Cl)NN PI-29369 [1,1,0,0,0,0|2,0,0]=4 591 B9R1.2 C1=CC(=CC(=C1)F)CBr PI-13389 [1,1,0,0,0,0|1,0,0]=3 592 B9R1.2 C1=CC(=CC(=C1)F)CCl PI-34129 [1,1,0,0,0,0|1,0,0]=3 593 B9R1.2 C1=CC(=CC(=C1)F)CO PI-16873 [1,1,0,0,0,0|0,0,0]=2 594 B9R1.2 C1=CC(=CC(=C1)F)NN PI-29439 [1,1,0,0,0,0|2,0,0]=4 595 B9R1.2 C1=CC(=CC(=C1)I)C=O PI-27854 [1,1,0,0,0,0|0,0,2]=4 596 B9R1.2 C1=CC(=CC(=C1)N)C=O PI-27126 [1,1,0,0,0,0|0,0,2]=4 597 B9R1.2 C1=CC(=CC(=C1)O)C#N PI-35245 [1,1,0,0,0,0|1,0,1]=4 598 B9R1.2 C1=CC(=CC(=C1)O)CBr PI-43991 [1,1,0,0,0,0|1,0,0]=3 599 B9R1.2 C1=CC(=CC(=C1)O)CO PI-11929 [1,1,0,0,0,0|0,0,0]=2 600 B9R1.2 C1=CC(=NC(=C1)Br)CBr PI-34987 [1,1,0,0,0,0|2,0,0]=4 601 B9R1.2 C1=CC(=NC(=C1)Br)CN PI-34988 [1,1,0,0,0,0|2,0,0]=4 602 B9R1.2 C1=CC(=NC(=C1)Br)CO PI-11552 [1,1,0,0,0,0|1,0,0]=3 603 B9R1.2 C1=CC(=NC(=C1)Cl)CO PI-35291 [1,1,0,0,0,0|1,0,0]=3 604 B9R1.2 C1=CC(=NC(=C1)Cl)CO PI-35292 [1,1,0,0,0,0|1,0,0]=3 605 B9R1.2 C1=CN=C(C=C1CBr)Br PI-40971 [1,1,0,0,0,0|2,0,0]=4 606 B9R1.2 C1=CN=C(C=C1CO)Br PI-27098 [1,1,0,0,0,0|1,0,0]=3 607 B9R1.2 C1=CN=C(C=C1CO)F PI-44971 [1,1,0,0,0,0|1,0,0]=3 608 B9R1.2 C1=CN=C(C=C1Cl)CO PI-34715 [1,1,0,0,0,0|1,0,0]=3 609 B9R1.2 C=CC1=CC(=CC=C1)Br PI-22598 [1,1,0,0,0,0|0,0,2]=4 610 B9R1.2 C=Cc1cccc(c1)C PI-40767 [1,1,0,0,0,0|0,0,2]=4 611 B9R1.2 CC1=CC(=CC=C1)C=O PI-11938 [1,1,0,0,0,0|0,0,2]=4 612 B9R1.2 CC1=CC(=CC=C1)CN PI-35861 [1,1,0,0,0,0|1,0,0]=3 613 B9R1.2 CC1=NC(=CC=C1)OC PI-10858 [1,1,0,0,0,0|2,0,0]=4 614 B9R1.2 CCC1=CC(=CC=C1)Br PI-21410 [1,1,0,0,0,0|0,0,0]=2 615 B9R1.2 CCC1=CC(=NC=C1)Br PI-24478 [1,1,0,0,0,0|1,0,0]=3 616 B9R1.2 CCC1=CC(=NC=N1)Cl PI-47323 [1,1,0,0,0,0|2,0,0]=4 617 B9R1.2 CCc1cccc(N)n1 PI-30318 [1,1,0,0,0,0|1,0,0]=3 618 B9R1.2 CCc1ccnc(c1)N PI-30483 [1,1,0,0,0,0|1,0,0]=3 619 B9R1.2 CNc1cccc(c1)F PI-29299 [1,1,0,0,0,0|1,0,0]=3 620 B9R1.2 COC1=CC(=CC=C1)Br PI-12683 [1,1,0,0,0,0|1,0,0]=3 621 B9R1.2 COC1=CC(=CC=C1)S PI-13025 [1,1,0,0,0,0|1,0,0]=3 622 B9R1.2 COC1=CC(=NC=C1)Cl PI-27253 [1,1,0,0,0,0|2,0,0]=4 623 B9R1.2 COC1=CC(=NC=C1)N PI-31930 [1,1,0,0,0,0|2,0,0]=4 624 B9R1.2 COC1=CC(=O)NC=C1 PI-47311 [1,1,0,0,0,0|2,0,0]=4 625 B9R1.2 COC1=CC(Cl)=CC=C1 PI-31362 [1,1,0,0,0,0|1,0,0]=3 626 B9R1.2 COC1=CC(F)=CC=C1 PI-12220 [1,1,0,0,0,0|1,0,0]=3 627 B9R1.2 COC1=NC(=CC=C1)Br PI-34471 [1,1,0,0,0,0|2,0,0]=4 628 B9R1.2 COC1=NC=CC(=C1)I PI-36520 [1,1,0,0,0,0|2,0,0]=4 629 B9R1.2 COc1cc(Br)cnc1 PI-38259 [1,1,0,0,0,0|2,0,0]=4 630 B9R1.2 COc1cc(Cl)ccn1 PI-26867 [1,1,0,0,0,0|2,0,0]=4 631 B9R1.2 COc1cc(N)ccn1 PI-26277 [1,1,0,0,0,0|2,0,0]=4 632 B9R1.2 COc1cc(N)cnc1 PI-33855 [1,1,0,0,0,0|2,0,0]=4 633 B9R1.2 COc1cccc(c1)O PI-34658 [1,1,0,0,0,0|1,0,0]=3 634 B9R1.2 CSC1=CC(=CC=C1)Br PI-11915 [1,1,0,0,0,0|1,0,0]=3 635 B9R1.2 CSC1=CC(=CC=C1)Cl PI-20243 [1,1,0,0,0,0|1,0,0]=3 636 B9R1.2 CSc1cccc(c1)N PI-11908 [1,1,0,0,0,0|1,0,0]=3 637 B9R1.2 Clc1cccc(c1)C#N PI-31301 [1,1,0,0,0,0|1,0,1]=4 638 B9R1.2 N#Cc1cccc(F)c1 PI-16864 [1,1,0,0,0,0|1,0,1]=4 639 B9R1.2 N#Cc1cccc(c1)I PI-10114 [1,1,0,0,0,0|1,0,1]=4 640 B9R1.2 NCc1cc(Br)ccn1 PI-39476 [1,1,0,0,0,0|2,0,0]=4 641 B9R1.2 NCc1cccc(Cl)c1 PI-15673 [1,1,0,0,0,0|1,0,0]=3 642 B9R1.2 NCc1cccc(c1)Br PI-21372 [1,1,0,0,0,0|1,0,0]=3 643 B9R1.2 NCc1cccc(c1)Br PI-38545 [1,1,0,0,0,0|1,0,0]=3 644 B9R1.2 NCc1cccc(c1)F PI-23480 [1,1,0,0,0,0|1,0,0]=3 645 B9R1.2 NNc1cccc(c1)Br PI-29422 [1,1,0,0,0,0|2,0,0]=4 646 B9R1.2 NNc1cccc(c1)C PI-29814 [1,1,0,0,0,0|2,0,0]=4 647 B9R1.2 O=Cc1cccc(c1)Br PI-34503 [1,1,0,0,0,0|0,0,2]=4 648 B9R1.2 O=Cc1cccc(c1)Cl PI-27742 [1,1,0,0,0,0|0,0,2]=4 649 B9R1.2 O=Cc1cccc(c1)F PI-11925 [1,1,0,0,0,0|0,0,2]=4 650 B9R1.2 O=Cc1cccc(c1)N PI-11906 [1,1,0,0,0,0|0,0,2]=4 651 B9R1.2 O=Cc1cccc(c1)O PI-34273 [1,1,0,0,0,0|0,0,2]=4 652 B9R1.2 OCC1=CC(C)=NC=C1 PI-36994 [1,1,0,0,0,0|1,0,0]=3 653 B9R1.2 OCC1=CC(N)=CN=C1 PI-35898 [1,1,0,0,0,0|1,0,0]=3 654 B9R1.2 OCc1cccc(c1)C PI-38620 [1,1,0,0,0,0|0,0,0]=2 655 B9R1.2 OCc1cccc(c1)Cl PI-11919 [1,1,0,0,0,0|0,0,0]=2 656 B9R1.2 SCc1cccc(F)c1 PI-23495 [1,1,0,0,0,0|0,1,0]=3 657 B9R1.2 [C-]#[N+]C1=CC(=CC=C1)Br PI-22496 [1,1,0,0,0,0|1,0,1]=4 658 B9R1.8 BrC#Cc1ccccc1 PI-38808 [1,1,0,0,0,0|0,0,2]=4 659 B9R1.8 C1=CC(=CN=C1)CCO PI-20772 [1,1,0,0,0,0|1,0,0]=3 660 B9R1.8 C1=CC=C(C=C1)C=CBr PI-12915 [1,1,0,0,0,0|0,0,2]=4 661 B9R1.8 C1=CC=C(C=C1)CCS PI-48520 [1,1,0,0,0,0|0,0,0]=2 662 B9R1.8 C1=CC=C(C=C1)CNN PI-12194 [1,1,0,0,0,0|1,0,0]=3 663 B9R1.8 C1=CC=C(C=C1)CNN PI-12195 [1,1,0,0,0,0|1,0,0]=3 664 B9R1.8 C1=CC=C(C=C1)CON PI-48767 [1,1,0,0,0,0|0,0,0]=2 665 B9R1.8 C1=CC=NC(=C1)CCN PI-33890 [1,1,0,0,0,0|1,0,0]=3 666 B9R1.8 C1=CC=[N+](C=C1)CC#N PI-30212 [1,1,0,0,0,0|1,0,1]=4 667 B9R1.8 C1=CN=C(C=N1)CCS PI-48496 [1,1,0,0,0,0|2,0,0]=4 668 B9R1.8 C1=CN=CC=C1C=NO PI-41016 [1,1,0,0,0,0|1,0,1]=4 669 B9R1.8 C=CCC1=CC=CC=C1 PI-36465 [1,1,0,0,0,0|0,0,1]=3 670 B9R1.8 CC#CC1=CC=CC=C1 PI-48954 [1,1,0,0,0,0|0,0,1]=3 671 B9R1.8 CCCC1=CC=CC=N1 PI-13326 [1,1,0,0,0,0|1,0,0]=3 672 B9R1.8 CCCC1=CC=NC=C1 PI-28052 [1,1,0,0,0,0|1,0,0]=3 673 B9R1.8 CCC[N+]1=CC=CC=C1 PI-13348 [1,1,0,0,0,0|1,0,0]=3 674 B9R1.8 CCOC1=CC=CC=N1 PI-16377 [1,1,0,0,0,0|1,0,0]=3 675 B9R1.8 CCOC1=CC=NC=C1 PI-16378 [1,1,0,0,0,0|1,0,0]=3 676 B9R1.8 CCOC1=NC=CN=C1 PI-11039 [1,1,0,0,0,0|2,0,0]=4 677 B9R1.8 CNCC1=CC=CN=C1 PI-46624 [1,1,0,0,0,0|1,0,0]=3 678 B9R1.8 COCC1=CC=CC=C1 PI-19695 [1,1,0,0,0,0|0,0,0]=2 679 B9R1.8 COCc1ccccn1 PI-38670 [1,1,0,0,0,0|1,0,0]=3 680 B9R1.8 C\C=C\C1=CC=CC=C1 PI-42685 [1,1,0,0,0,0|0,0,1]=3 681 B9R1.8 C\C=C\C1=CC=CC=C1 PI-46536 [1,1,0,0,0,0|0,0,1]=3 682 B9R1.8 N#CCc1ccccn1 PI-16690 [1,1,0,0,0,0|1,0,1]=4 683 B9R1.8 N#CCc1cccnc1 PI-32834 [1,1,0,0,0,0|1,0,1]=4 684 B9R1.8 N#CCc1ccncc1 PI-10376 [1,1,0,0,0,0|1,0,1]=4 685 B9R1.8 NCCc1cccnc1 PI-23439 [1,1,0,0,0,0|1,0,0]=3 686 B9R1.8 NCCc1ccncc1 PI-15907 [1,1,0,0,0,0|1,0,0]=3 687 B9R1.8 NOCc1ccccc1 PI-11329 [1,1,0,0,0,0|0,0,0]=2 688 B9R1.8 OCCC1=CC=NC=C1 PI-27680 [1,1,0,0,0,0|1,0,0]=3 689 B9R1.8 ONCC1=CC=CC=C1 PI-42266 [1,1,0,0,0,0|0,0,0]=2 690 B9R1.8 O\N=C\c1ccccn1 PI-38007 [1,1,0,0,0,0|1,0,1]=4 691 B9R1.15 BrCc1ccccc1Br PI-11809 [1,1,0,0,0,0|1,0,0]=3 692 B9R1.15 BrCc1ccccc1I PI-29573 [1,1,0,0,0,0|1,0,0]=3 693 B9R1.15 C#CC1=CC=CC=C1Cl PI-30962 [1,1,0,0,0,0|0,0,2]=4 694 B9R1.15 C#CC1=CC=CC=C1F PI-30912 [1,1,0,0,0,0|0,0,2]=4 695 B9R1.15 C#Cc1ccccc1Br PI-30911 [1,1,0,0,0,0|0,0,2]=4 696 B9R1.15 C1=CC(=C(N=C1)CBr)Br PI-47183 [1,1,0,0,0,0|2,0,0]=4 697 B9R1.15 C1=CC(=C(N=C1)CN)F PI-49343 [1,1,0,0,0,0|2,0,0]=4 698 B9R1.15 C1=CC(=C(N=C1)CO)Br PI-44198 [1,1,0,0,0,0|1,0,0]=3 699 B9R1.15 C1=CC(=C(N=C1)CO)O PI-16743 [1,1,0,0,0,0|1,0,0]=3 700 B9R1.15 C1=CC(=C(N=C1)Cl)CO PI-33153 [1,1,0,0,0,0|1,0,0]=3 701 B9R1.15 C1=CC=C(C(=C1)C#N)I PI-10113 [1,1,0,0,0,0|1,0,1]=4 702 B9R1.15 C1=CC=C(C(=C1)C=O)Br PI-11807 [1,1,0,0,0,0|0,0,2]=4 703 B9R1.15 C1=CC=C(C(=C1)CBr)Cl PI-11821 [1,1,0,0,0,0|1,0,0]=3 704 B9R1.15 C1=CC=C(C(=C1)CBr)F PI-28536 [1,1,0,0,0,0|1,0,0]=3 705 B9R1.15 C1=CC=C(C(=C1)CCl)F PI-34128 [1,1,0,0,0,0|1,0,0]=3 706 B9R1.15 C1=CC=C(C(=C1)CN)Br PI-11810 [1,1,0,0,0,0|1,0,0]=3 707 B9R1.15 C1=CC=C(C(=C1)CN)Cl PI-11822 [1,1,0,0,0,0|1,0,0]=3 708 B9R1.15 C1=CC=C(C(=C1)CN)F PI-31326 [1,1,0,0,0,0|1,0,0]=3 709 B9R1.15 C1=CC=C(C(=C1)CO)Br PI-30250 [1,1,0,0,0,0|0,0,0]=2 710 B9R1.15 C1=CC=C(C(=C1)CO)Cl PI-23166 [1,1,0,0,0,0|0,0,0]=2 711 B9R1.15 C1=CC=C(C(=C1)CO)N PI-11798 [1,1,0,0,0,0|0,0,0]=2 712 B9R1.15 C1=CC=C(C(=C1)CS)Br PI-20548 [1,1,0,0,0,0|0,1,0]=3 713 B9R1.15 C1=CC=C(C(=C1)CS)Cl PI-11007 [1,1,0,0,0,0|0,1,0]=3 714 B9R1.15 C1=CC=C(C(=C1)NN)Br PI-11813 [1,1,0,0,0,0|2,0,0]=4 715 B9R1.15 C1=CC=C(C(=C1)NN)Cl PI-29581 [1,1,0,0,0,0|2,0,0]=4 716 B9R1.15 C1=CC=C(C(=C1)NN)F PI-16908 [1,1,0,0,0,0|2,0,0]=4 717 B9R1.15 C1=CC=C(C(=C1)NN)F PI-31140 [1,1,0,0,0,0|2,0,0]=4 718 B9R1.15 C1=CN=CC(=C1Cl)CO PI-34716 [1,1,0,0,0,0|1,0,0]=3 719 B9R1.15 C=CC1=CC=CC=C1Br PI-14519 [1,1,0,0,0,0|0,0,2]=4 720 B9R1.15 C=Cc1ccccc1F PI-33746 [1,1,0,0,0,0|0,0,2]=4 721 B9R1.15 CC1=CC=CC=C1C=O PI-27677 [1,1,0,0,0,0|0,0,2]=4 722 B9R1.15 CCC1=CC=CC=C1Br PI-19276 [1,1,0,0,0,0|0,0,0]=2 723 B9R1.15 CCC1=CC=CC=C1Cl PI-19970 [1,1,0,0,0,0|0,0,0]=2 724 B9R1.15 CCC1=CC=CC=C1I PI-19242 [1,1,0,0,0,0|0,0,0]=2 725 B9R1.15 CCC1=NC=CN=C1C PI-11842 [1,1,0,0,0,0|2,0,0]=4 726 B9R1.15 CC[N+]1=CC=CC=C1Br PI-14423 [1,1,0,0,0,0|1,0,0]=3 727 B9R1.15 CC[N+]1=CC=CC=C1C PI-39505 [1,1,0,0,0,0|1,0,0]=3 728 B9R1.15 CCc1ccccc1C PI-36541 [1,1,0,0,0,0|0,0,0]=2 729 B9R1.15 CCc1nccnc1C PI-11841 [1,1,0,0,0,0|2,0,0]=4 730 B9R1.15 CCc1ncncc1F PI-15252 [1,1,0,0,0,0|2,0,0]=4 731 B9R1.15 CNC1=CC=CC=C1F PI-28236 [1,1,0,0,0,0|1,0,0]=3 732 B9R1.15 CNC1=CC=CC=C1N PI-23401 [1,1,0,0,0,0|1,0,0]=3 733 B9R1.15 CNC1=CC=CC=C1N PI-28564 [1,1,0,0,0,0|1,0,0]=3 734 B9R1.15 CNc1cccnc1Cl PI-32645 [1,1,0,0,0,0|2,0,0]=4 735 B9R1.15 COC1=C(C=CC=N1)Br PI-26112 [1,1,0,0,0,0|2,0,0]=4 736 B9R1.15 COC1=C(C=CC=N1)N PI-24213 [1,1,0,0,0,0|2,0,0]=4 737 B9R1.15 COC1=C(N=CC=C1)I PI-26982 [1,1,0,0,0,0|2,0,0]=4 738 B9R1.15 COC1=CC=CC=C1Br PI-34200 [1,1,0,0,0,0|1,0,0]=3 739 B9R1.15 COC1=CC=CC=C1Cl PI-34199 [1,1,0,0,0,0|1,0,0]=3 740 B9R1.15 COC1=CC=CC=C1F PI-12348 [1,1,0,0,0,0|1,0,0]=3 741 B9R1.15 COC1=CC=CC=C1I PI-50209 [1,1,0,0,0,0|1,0,0]=3 742 B9R1.15 COc1ccc[nH]c1=O PI-26288 [1,1,0,0,0,0|2,0,0]=4 743 B9R1.15 COc1ccccc1S PI-21364 [1,1,0,0,0,0|1,0,0]=3 744 B9R1.15 COc1cccnc1Br PI-26342 [1,1,0,0,0,0|2,0,0]=4 745 B9R1.15 COc1cccnc1Cl PI-27671 [1,1,0,0,0,0|2,0,0]=4 746 B9R1.15 CSC1=CC=CC=C1Br PI-11815 [1,1,0,0,0,0|1,0,0]=3 747 B9R1.15 CSC1=CC=CC=C1Cl PI-11833 [1,1,0,0,0,0|1,0,0]=3 748 B9R1.15 CSC1=CC=CC=C1F PI-11849 [1,1,0,0,0,0|1,0,0]=3 749 B9R1.15 CSC1=CC=CC=C1O PI-20874 [1,1,0,0,0,0|1,0,0]=3 750 B9R1.15 CSc1ccccc1I PI-13705 [1,1,0,0,0,0|1,0,0]=3 751 B9R1.15 N#Cc1ccccc1Br PI-11808 [1,1,0,0,0,0|1,0,1]=4 752 B9R1.15 N#Cc1ccccc1Cl PI-34735 [1,1,0,0,0,0|1,0,1]=4 753 B9R1.15 N#Cc1ccccc1F PI-27555 [1,1,0,0,0,0|1,0,1]=4 754 B9R1.15 N#Cc1ccccc1N PI-11517 [1,1,0,0,0,0|1,0,1]=4 755 B9R1.15 N#Cc1ccccc1O PI-11836 [1,1,0,0,0,0|1,0,1]=4 756 B9R1.15 NC1=NC=CC=C1OC PI-39996 [1,1,0,0,0,0|2,0,0]=4 757 B9R1.15 NCc1ccccc1Br PI-38543 [1,1,0,0,0,0|1,0,0]=3 758 B9R1.15 NCc1ncccc1C PI-36263 [1,1,0,0,0,0|2,0,0]=4 759 B9R1.15 NNc1ccccc1C PI-29808 [1,1,0,0,0,0|2,0,0]=4 760 B9R1.15 O=CC1=CC=CC=C1I PI-27403 [1,1,0,0,0,0|0,0,2]=4 761 B9R1.15 O=Cc1ccccc1Cl PI-34387 [1,1,0,0,0,0|0,0,2]=4 762 B9R1.15 O=Cc1ccccc1F PI-27600 [1,1,0,0,0,0|0,0,2]=4 763 B9R1.15 OCc1ccccc1F PI-28537 [1,1,0,0,0,0|0,0,0]=2 764 B9R1.15 OCc1ccccc1O PI-36548 [1,1,0,0,0,0|0,0,0]=2 765 B9R1.15 OCc1cccnc1N PI-33953 [1,1,0,0,0,0|1,0,0]=3 766 B9R1.15 SCc1ccccc1F PI-23494 [1,1,0,0,0,0|0,1,0]=3 767 B9R1.15 [C-]#[N+]c1ccccc1Br PI-22495 [1,1,0,0,0,0|1,0,1]=4 768 B9R1.11 CC(C1=CC=CO1)NO PI-19088 [0,1,0,0,1,0|1,0,0]=3 769 B9R1.11 NCC(c1ccco1)O PI-15941 [0,1,0,0,1,0|1,0,0]=3 770 B9R1.19 CC(C1=CC=CC1)(C)C PI-38470 [0,1,0,0,1,0|1,0,1]=4 771 B11R1.20 C1=CC(=CC=C1CC(=O)O)Br PI-12711 [0,1,0,0,0,1|1,0,1]=4 772 B11R1.20 C1=CC(=CC=C1CC(=O)O)Cl PI-32618 [0,1,0,0,0,1|1,0,1]=4 773 B11R1.20 C1=CC(=CC=C1CC(=O)O)N PI-25083 [0,1,0,0,0,1|1,0,1]=4 774 B11R1.20 C1=CC(=CC=C1CC(C)=O)F PI-39618 [0,1,0,0,0,1|0,0,2]=4 775 B11R1.20 C1=CC(=CC=C1N)OC(F)F PI-21176 [0,1,0,0,0,1|2,0,0]=4 776 B11R1.20 CC(=O)Cc1ccc(cc1)Br PI-38548 [0,1,0,0,0,1|0,0,2]=4 777 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 PI-26690 [0,1,0,0,0,1|0,0,2]=4 778 B11R1.20 CC(=O)NC1=CC=C(C=C1)Br PI-24030 [0,1,0,0,0,1|0,0,2]=4 779 B11R1.20 CC(=O)NC1=CC=C(C=C1)F PI-34152 [0,1,0,0,0,1|0,0,2]=4 780 B11R1.20 CC(=O)NC1=CC=C(C=C1)S PI-26064 [0,1,0,0,0,1|0,0,2]=4 781 B11R1.20 CC(=O)OC1=CC=C(C=C1)F PI-16968 [0,1,0,0,0,1|0,0,2]=4 782 B11R1.20 CC(=O)OC1=CC=C(C=C1)O PI-49042 [0,1,0,0,0,1|0,0,2]=4 783 B11R1.20 CC(=O)Oc1ccc(cc1)Br PI-35155 [0,1,0,0,0,1|0,0,2]=4 784 B11R1.20 CC(=O)SC1=CC=C(C=C1)I PI-35183 [0,1,0,0,0,1|0,0,2]=4 785 B11R1.20 CC(C)CC1=CC=C(C=C1)Br PI-13179 [0,1,0,0,0,1|1,0,0]=3 786 B11R1.20 CC(C)NC1=CC=C(C=C1)F PI-42945 [0,1,0,0,0,1|1,0,0]=3 787 B11R1.20 CC(C)OC1=CC=C(C=C1)N PI-28808 [0,1,0,0,0,1|1,0,0]=3 788 B11R1.20 CC(OC1=CC=C(N)C=C1)=O PI-37062 [0,1,0,0,0,1|0,0,2]=4 789 B11R1.20 CC1=CC=C(C=C1)CC(=O)O PI-30795 [0,1,0,0,0,1|1,0,1]=4 790 B11R1.20 CC1=CC=C(C=C1)OC(F)F PI-21199 [0,1,0,0,0,1|2,0,0]=4 791 B11R1.20 FC(Oc1ccc(cc1)Br)F PI-21193 [0,1,0,0,0,1|2,0,0]=4 792 B11R1.20 FC(Oc1ccc(cc1)I)F PI-21194 [0,1,0,0,0,1|2,0,0]=4 793 B11R1.20 OC(=O)Cc1ccc(F)cc1 PI-16969 [0,1,0,0,0,1|1,0,1]=4 794 B11R1.20 OC(=O)Cc1ccc(I)cc1 PI-30230 [0,1,0,0,0,1|1,0,1]=4 795 B11R1.20 OC(=O)Cc1ccc(O)cc1 PI-11992 [0,1,0,0,0,1|1,0,1]=4 796 B11R1.20 OC(=O)Cc1ccc(S)cc1 PI-30560 [0,1,0,0,0,1|1,0,1]=4 797 B11R1.36 C1=CC=C(C=C1)C(=O)C(Cl)Cl PI-25399 [0,1,0,0,0,1|2,0,0]=4 798 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)Br PI-12709 [0,1,0,0,0,1|1,0,1]=4 799 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)N PI-18442 [0,1,0,0,0,1|1,0,1]=4 800 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O PI-33913 [0,1,0,0,0,1|1,0,1]=4 801 B11R1.36 C=C(C1=CC=CC=C1)C(=O)O PI-11241 [0,1,0,0,0,1|1,0,1]=4 802 B11R1.36 CC(C(=O)C1=CC=CC=C1)Cl PI-12863 [0,1,0,0,0,1|1,0,0]=3 803 B11R1.36 CC(C(=O)O)c1ccccc1 PI-11879 [0,1,0,0,0,1|1,0,1]=4 804 B11R1.36 CC(C1=CC=CC=C1)C(=O)O PI-10358 [0,1,0,0,0,1|1,0,1]=4 805 B11R1.36 C[C@@H](c1ccccc1)C(=O)O PI-10357 [0,1,0,0,0,1|1,0,1]=4 806 B11R1.36 FC(C(=O)O)c1ccccc1 PI-30175 [0,1,0,0,0,1|1,0,1]=4 807 B11R1.36 O=C(C(=O)C)c1ccccc1 PI-32566 [0,1,0,0,0,1|0,0,2]=4 808 B11R1.36 O=C(C(=O)O)c1ccccc1 PI-30769 [0,1,0,0,0,1|1,0,1]=4 809 B11R1.36 O[C@@H](C(=O)O)c1ccccc1 PI-10352 [0,1,0,0,0,1|1,0,1]=4 810 B11R1.36 O[C@@H](c1ccccc1)C(=O)O PI-10351 [0,1,0,0,0,1|1,0,1]=4 811 B11R1.40 C1=CC=C(C=C1)CC(CN)N PI-19951 [0,1,0,0,0,1|1,0,0]=3 812 B11R1.40 CCC(=O)CC1=CC=CC=C1 PI-47129 [0,1,0,0,0,1|0,0,2]=4 813 B11R1.40 CNC(=S)Nc1ccccc1 PI-24288 [0,1,0,0,0,1|0,1,1]=4 814 B11R1.40 CNC(=S)Nc1ccccc1 PI-30591 [0,1,0,0,0,1|0,1,1]=4 815 B11R1.40 ClCC(=O)Nc1ccccc1 PI-15656 [0,1,0,0,0,1|0,0,2]=4 816 B11R1.40 OC[C@@H](Cc1ccccc1)N PI-16474 [0,1,0,0,0,1|1,0,0]=3 817 B11R1.40 OC[C@H](Cc1ccccc1)N PI-16635 [0,1,0,0,0,1|1,0,0]=3 818 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)Br PI-14498 [0,1,0,0,0,1|1,0,1]=4 819 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)O PI-10304 [0,1,0,0,0,1|1,0,1]=4 820 B11R1.86 CC(=O)Cc1ccccc1F PI-38595 [0,1,0,0,0,1|0,0,2]=4 821 B11R1.86 CC(=O)NC1=CC=CC=C1Br PI-50525 [0,1,0,0,0,1|0,0,2]=4 822 B11R1.86 CC(=O)NC1=CC=CC=C1F PI-34151 [0,1,0,0,0,1|0,0,2]=4 823 B11R1.86 CC(=O)NC1=CC=CC=C1O PI-11773 [0,1,0,0,0,1|0,0,2]=4 824 B11R1.86 CC(=O)Nc1ccccc1N PI-39094 [0,1,0,0,0,1|0,0,2]=4 825 B11R1.86 CC(=O)OC1=CC=CC=C1Cl PI-10924 [0,1,0,0,0,1|0,0,2]=4 826 B11R1.86 FC(F)Oc1ccccc1N PI-21174 [0,1,0,0,0,1|2,0,0]=4 827 B11R1.86 FC(Oc1ccccc1Br)F PI-21192 [0,1,0,0,0,1|2,0,0]=4 828 B11R1.86 NC1=CC=CC=C1SC(C)C PI-40822 [0,1,0,0,0,1|1,0,0]=3 829 B11R1.86 OC(=O)Cc1ccccc1C PI-30825 [0,1,0,0,0,1|1,0,1]=4 830 B11R1.86 OC(=O)Cc1ccccc1Cl PI-11828 [0,1,0,0,0,1|1,0,1]=4 831 B11R1.86 OC(=O)Cc1ccccc1F PI-16981 [0,1,0,0,0,1|1,0,1]=4 832 B11R1.86 OC(=O)Cc1ccccc1I PI-12208 [0,1,0,0,0,1|1,0,1]=4 833 B11R1.157 C1=CC(=CC(=C1)Br)CC(=O)O PI-22281 [0,1,0,0,0,1|1,0,1]=4 834 B11R1.157 C1=CC(=CC(=C1)Cl)CC(=O)O PI-16021 [0,1,0,0,0,1|1,0,1]=4 835 B11R1.157 C1=CC(=CC(=C1)I)CC(=O)O PI-30249 [0,1,0,0,0,1|1,0,1]=4 836 B11R1.157 C1=CC(=CC(=C1)OC(F)F)N PI-21175 [0,1,0,0,0,1|2,0,0]=4 837 B11R1.157 CC(=O)Cc1cccc(c1)Br PI-38558 [0,1,0,0,0,1|0,0,2]=4 838 B11R1.157 CC(=O)NC1=CC(=CC=C1)Br PI-50520 [0,1,0,0,0,1|0,0,2]=4 839 B11R1.157 CC(=O)NC1=CC(=CC=C1)F PI-23433 [0,1,0,0,0,1|0,0,2]=4 840 B11R1.157 CC(=O)NC1=CC=CC(=C1)N PI-17432 [0,1,0,0,0,1|0,0,2]=4 841 B11R1.157 CC(=O)OC1=CC(=CC=C1)F PI-26855 [0,1,0,0,0,1|0,0,2]=4 842 B11R1.157 CC(C)OC1=CC(=CC=C1)Br PI-31927 [0,1,0,0,0,1|1,0,0]=3 843 B11R1.157 CC(C)OC1=CC=CC(=C1)N PI-33132 [0,1,0,0,0,1|1,0,0]=3 844 B11R1.157 CN(C)CC1=CC(=CC=C1)Br PI-47270 [0,1,0,0,0,1|2,0,0]=4 845 B11R1.157 OC(=O)Cc1cccc(c1)F PI-16930 [0,1,0,0,0,1|1,0,1]=4 846 B11R1.157 OC(=O)Cc1cccc(c1)N PI-31063 [0,1,0,0,0,1|1,0,1]=4 847 B11R1.157 OC(=O)Cc1cccc(c1)O PI-11931 [0,1,0,0,0,1|1,0,1]=4 848 B11R1.509 C1=CC=C(C=C1)OC(F)(F)F PI-12216 [0,1,0,0,0,1|2,0,0]=4 849 B11R1.509 C1=CC=C(C=C1)SC(F)(F)F PI-12221 [0,1,0,0,0,1|2,0,0]=4 850 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 PI-28365 [0,1,0,0,0,1|1,0,1]=4 851 B11R1.509 CS(=O)(=O)NC1=CC=CC=C1 PI-13514 [0,1,0,0,0,1|1,0,1]=4 852 B11R1.509 CS(=O)(=O)OC1=CC=CC=C1 PI-12785 [0,1,0,0,0,1|1,0,1]=4 853 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 PI-20351 [0,1,0,0,0,1|2,0,0]=4 854 B11R1.509 C[Si](C)(C)OC1=CC=CC=C1 PI-46060 [0,1,0,0,0,1|1,1,0]=4 855 B11R1.509 OP(=O)(Cc1ccccc1)O PI-30850 [0,1,0,0,0,1|2,0,0]=4 856 B11R1.3 B(C1=CC=C(C=C1)CBr)(O)O PI-25789 [0,2,0,0,0,0|2,0,0]=4 857 B11R1.3 B(C1=CC=C(C=C1)SC)(O)O PI-23605 [0,2,0,0,0,0|2,0,0]=4 858 B11R1.3 BrCc1ccc(cc1)C(=O)O PI-11969 [0,2,0,0,0,0|1,0,1]=4 859 B11R1.3 C#CC1=CC=C(C=C1)C(=O)O PI-46517 [0,2,0,0,0,0|1,0,1]=4 860 B11R1.3 C#Cc1ccc(cc1)B(O)O PI-38738 [0,2,0,0,0,0|2,0,0]=4 861 B11R1.3 C#Cc1ccc(cc1)N(C)C PI-30225 [0,2,0,0,0,0|2,0,0]=4 862 B11R1.3 C1=CC(=CC=C1C(=O)O)NN PI-11467 [0,2,0,0,0,0|1,0,1]=4 863 B11R1.3 C1=CC(=CC=C1CO)C(=O)O PI-24305 [0,2,0,0,0,0|1,0,1]=4 864 B11R1.3 C=Cc1ccc(cc1)C(=O)O PI-30056 [0,2,0,0,0,0|1,0,1]=4 865 B11R1.3 CC(=O)C1=CC=C(C=C1)C#N PI-16159 [0,2,0,0,0,0|0,0,2]=4 866 B11R1.3 CC(=O)C1=CC=C(C=C1)C=O PI-27504 [0,2,0,0,0,0|0,0,2]=4 867 B11R1.3 CC(C)C1=CC=C(C=C1)C#C PI-30350 [0,2,0,0,0,0|1,0,0]=3 868 B11R1.3 CC(C)C1=CC=C(C=C1)CN PI-19626 [0,2,0,0,0,0|1,0,0]=3 869 B11R1.3 CC(C)C1=NC=C(C=C1)C=O PI-44044 [0,2,0,0,0,0|2,0,0]=4 870 B11R1.3 CC(C1=CC=C(C=C1)OC)N PI-32643 [0,2,0,0,0,0|1,0,0]=3 871 B11R1.3 CC(C1=CC=C(SC)C=C1)=O PI-16796 [0,2,0,0,0,0|0,0,2]=4 872 B11R1.3 CC(O)C1=CC=C(OC)C=C1 PI-32585 [0,2,0,0,0,0|0,0,0]=2 873 B11R1.3 CCC1=CC=C(C=C1)C(=O)C PI-12886 [0,2,0,0,0,0|0,0,2]=4 874 B11R1.3 CCc1ccc(cc1)B(O)O PI-28704 [0,2,0,0,0,0|2,0,0]=4 875 B11R1.3 CN(C)C1=CC=C(C=C1)CN PI-23374 [0,2,0,0,0,0|2,0,0]=4 876 B11R1.3 CN(C)C1=CC=C(C=C1)CN PI-35653 [0,2,0,0,0,0|2,0,0]=4 877 B11R1.3 CN(C)C1=CC=C(C=C1)CO PI-41788 [0,2,0,0,0,0|2,0,0]=4 878 B11R1.3 COc1ccc(cc1)B(O)O PI-11577 [0,2,0,0,0,0|2,0,0]=4 879 B11R1.3 COc1ccc(cc1)C(=O)O PI-31764 [0,2,0,0,0,0|1,0,1]=4 880 B11R1.3 COc1ccc(cc1)[C@@H](N)C PI-32642 [0,2,0,0,0,0|1,0,0]=3 881 B11R1.3 C[C@@H](C1=CC=C(C=C1)C#N)O PI-49825 [0,2,0,0,0,0|0,0,0]=2 882 B11R1.3 C[C@@H](C1=CC=C(C=C1)OC)O PI-49809 [0,2,0,0,0,0|0,0,0]=2 883 B11R1.3 C[C@H](C1=CC=C(C=C1)C#N)O PI-49824 [0,2,0,0,0,0|0,0,0]=2 884 B11R1.3 ClCc1ccc(cc1)C(=O)O PI-16127 [0,2,0,0,0,0|1,0,1]=4 885 B11R1.3 N#Cc1ccc(cc1)B(O)O PI-16439 [0,2,0,0,0,0|2,0,0]=4 886 B11R1.3 NCc1ccc(cc1)B(O)O PI-25826 [0,2,0,0,0,0|2,0,0]=4 887 B11R1.3 NCc1ccc(cc1)C(=O)O PI-13119 [0,2,0,0,0,0|1,0,1]=4 888 B11R1.3 NNc1ccc(cc1)C(C)C PI-29077 [0,2,0,0,0,0|1,0,0]=3 889 B11R1.3 NNc1ccc(cc1)C(C)C PI-29812 [0,2,0,0,0,0|1,0,0]=3 890 B11R1.3 O=C(O)C1=CC=C(CC)C=C1 PI-10223 [0,2,0,0,0,0|1,0,1]=4 891 B11R1.3 O=C(O)C1=CC=C(NN)C=C1 PI-27393 [0,2,0,0,0,0|1,0,1]=4 892 B11R1.3 O=Cc1ccc(cc1)B(O)O PI-16440 [0,2,0,0,0,0|2,0,0]=4 893 B11R1.3 O=Cc1ccc(cc1)C(=O)O PI-18766 [0,2,0,0,0,0|1,0,1]=4 894 B11R1.3 O=Cc1ccc(cc1)N(C)C PI-32094 [0,2,0,0,0,0|2,0,0]=4 895 B11R1.3 OC(=O)c1ccc(cc1)C#N PI-31249 [0,2,0,0,0,0|1,0,1]=4 896 B11R1.3 OCc1ccc(cc1)B(O)O PI-25712 [0,2,0,0,0,0|2,0,0]=4 897 B11R1.19 Brc1ccc(cc1)C(C)(C)C PI-11587 [0,2,0,0,0,0|1,0,0]=3 898 B11R1.19 Brc1ccc(cc1)S(=O)(=O)C PI-22518 [0,2,0,0,0,0|1,0,1]=4 899 B11R1.19 C1=CC(=CC=C1C(Cl)(Cl)Cl)Cl PI-34226 [0,2,0,0,0,0|2,0,0]=4 900 B11R1.19 C1=CC(=CC=C1C(F)(F)F)I PI-28548 [0,2,0,0,0,0|2,0,0]=4 901 B11R1.19 C1=CC(=CC=C1C(F)(F)F)N PI-30976 [0,2,0,0,0,0|2,0,0]=4 902 B11R1.19 C1=CC(=CC=C1F)S(=O)(=O)O PI-28451 [0,2,0,0,0,0|2,0,0]=4 903 B11R1.19 C1=CC(=CC=C1S(=O)(=O)O)Cl PI-21379 [0,2,0,0,0,0|2,0,0]=4 904 B11R1.19 CC(C)(C)C1=CC=C(C=C1)Cl PI-34169 [0,2,0,0,0,0|1,0,0]=3 905 B11R1.19 CC(C)(C)C1=CC=C(C=C1)I PI-15640 [0,2,0,0,0,0|1,0,0]=3 906 B11R1.19 CC(C)(C)C1=CC=C(C=C1)N PI-22877 [0,2,0,0,0,0|1,0,0]=3 907 B11R1.19 CC(C)(C)c1ccc(S)cc1 PI-23054 [0,2,0,0,0,0|1,0,0]=3 908 B11R1.19 CC(C1=CC=C(Br)C=C1)(F)C PI-46657 [0,2,0,0,0,0|1,0,0]=3 909 B11R1.19 CC(C1=CC=C(C=C1)Br)(F)F PI-42710 [0,2,0,0,0,0|1,0,0]=3 910 B11R1.19 CC1=CC=C(C=C1)C(C)(C)C PI-31987 [0,2,0,0,0,0|1,0,0]=3 911 B11R1.19 CC1=CC=C(C=C1)C(F)(F)F PI-28686 [0,2,0,0,0,0|2,0,0]=4 912 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)C PI-25437 [0,2,0,0,0,0|1,0,1]=4 913 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O PI-48935 [0,2,0,0,0,0|2,0,0]=4 914 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O PI-49467 [0,2,0,0,0,0|2,0,0]=4 915 B11R1.19 CS(=O)(=O)C1=CC=C(C=C1)N PI-12897 [0,2,0,0,0,0|1,0,1]=4 916 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O PI-37598 [0,2,0,0,0,0|2,0,0]=4 917 B11R1.19 FC(c1ccc(cc1)Br)(F)F PI-16964 [0,2,0,0,0,0|2,0,0]=4 918 B11R1.19 FC(c1ccc(cc1)O)(F)F PI-10422 [0,2,0,0,0,0|2,0,0]=4 919 B11R1.19 FC(c1ccc(cc1)S)(F)F PI-28846 [0,2,0,0,0,0|2,0,0]=4 920 B11R1.19 Fc1ccc(cc1)C(Cl)(Cl)Cl PI-33413 [0,2,0,0,0,0|2,0,0]=4 921 B11R1.19 Fc1ccc(cc1)C(F)(F)F PI-10295 [0,2,0,0,0,0|2,0,0]=4 922 B11R1.19 Nc1ccc(cc1)C(F)(F)F PI-32001 [0,2,0,0,0,0|2,0,0]=4 923 B11R1.19 O=S(C1=CC=C(C)C=C1)(O)=O PI-41319 [0,2,0,0,0,0|2,0,0]=4 924 B11R1.19 O=S(C1=CC=C(F)C=C1)(C)=O PI-29606 [0,2,0,0,0,0|1,0,1]=4 925 B11R1.19 Oc1ccc(cc1)S(=O)(=O)C PI-27192 [0,2,0,0,0,0|1,0,1]=4 926 B11R1.21 B(C1=CC(=C(C=C1)Br)F)(O)O PI-14427 [0,2,0,0,0,0|2,0,0]=4 927 B11R1.21 B(C1=CC(=C(C=C1)C)C)(O)O PI-25668 [0,2,0,0,0,0|2,0,0]=4 928 B11R1.21 B(C1=CC(=C(C=C1)C)Cl)(O)O PI-25257 [0,2,0,0,0,0|2,0,0]=4 929 B11R1.21 B(C1=CC(=C(C=C1)C)F)(O)O PI-25232 [0,2,0,0,0,0|2,0,0]=4 930 B11R1.21 B(C1=CC(=C(C=C1)C)N)(O)O PI-25361 [0,2,0,0,0,0|2,0,0]=4 931 B11R1.21 B(C1=CC(=C(C=C1)Cl)C)(O)O PI-20170 [0,2,0,0,0,0|2,0,0]=4 932 B11R1.21 B(C1=CC(=C(C=C1)F)Cl)(O)O PI-16842 [0,2,0,0,0,0|2,0,0]=4 933 B11R1.21 B(C1=CC(=C(C=C1)O)C)(O)O PI-49991 [0,2,0,0,0,0|2,0,0]=4 934 B11R1.21 B(C1=CC(=C(C=C1)O)Cl)(O)O PI-49917 [0,2,0,0,0,0|2,0,0]=4 935 B11R1.21 B(C1=CC(=C(C=C1)O)F)(O)O PI-49906 [0,2,0,0,0,0|2,0,0]=4 936 B11R1.21 C1=C(C(=CC=C1C(=O)O)C)N PI-31125 [0,2,0,0,0,0|1,0,1]=4 937 B11R1.21 C1=CC(=C(C=C1C(=O)O)Br)O PI-10053 [0,2,0,0,0,0|1,0,1]=4 938 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)F PI-16072 [0,2,0,0,0,0|1,0,1]=4 939 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)N PI-32812 [0,2,0,0,0,0|1,0,1]=4 940 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)O PI-19535 [0,2,0,0,0,0|1,0,1]=4 941 B11R1.21 C1=CC(=C(C=C1C(=O)O)F)Br PI-16062 [0,2,0,0,0,0|1,0,1]=4 942 B11R1.21 C1=CC(=C(C=C1C(=O)O)F)N PI-30637 [0,2,0,0,0,0|1,0,1]=4 943 B11R1.21 C1=CC(=C(C=C1C(=O)O)I)O PI-50668 [0,2,0,0,0,0|1,0,1]=4 944 B11R1.21 C1=CC(=C(C=C1C(=O)O)N)F PI-16994 [0,2,0,0,0,0|1,0,1]=4 945 B11R1.21 C1=CC(=C(C=C1C(=O)O)O)F PI-23589 [0,2,0,0,0,0|1,0,1]=4 946 B11R1.21 C1=CC(=C(C=C1C(=O)O)O)I PI-33357 [0,2,0,0,0,0|1,0,1]=4 947 B11R1.21 C1=CC(=C(C=C1C(=O)O)O)N PI-30353 [0,2,0,0,0,0|1,0,1]=4 948 B11R1.21 CC(=O)C1=CC(=C(C=C1)Br)F PI-43296 [0,2,0,0,0,0|0,0,2]=4 949 B11R1.21 CC(=O)C1=CC(=C(C=C1)Cl)Cl PI-29417 [0,2,0,0,0,0|0,0,2]=4 950 B11R1.21 CC(=O)C1=CC(=C(C=C1)Cl)F PI-30165 [0,2,0,0,0,0|0,0,2]=4 951 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)Br PI-12717 [0,2,0,0,0,0|0,0,2]=4 952 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)F PI-28452 [0,2,0,0,0,0|0,0,2]=4 953 B11R1.21 CC(=O)c1ccc(Cl)c(C)c1 PI-29523 [0,2,0,0,0,0|0,0,2]=4 954 B11R1.21 CC(=O)c1ccc(F)c(Cl)c1 PI-16917 [0,2,0,0,0,0|0,0,2]=4 955 B11R1.21 CC(=O)c1ccc(c(c1)C)O PI-29955 [0,2,0,0,0,0|0,0,2]=4 956 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O PI-30431 [0,2,0,0,0,0|0,0,2]=4 957 B11R1.21 CC(=O)c1ccc(c(c1)F)O PI-23584 [0,2,0,0,0,0|0,0,2]=4 958 B11R1.21 CC(C)C1=CC(=C(C=C1)N)Br PI-21542 [0,2,0,0,0,0|1,0,0]=3 959 B11R1.21 CC(C1=CC=C(O)C(O)=C1)=O PI-29084 [0,2,0,0,0,0|0,0,2]=4 960 B11R1.21 CC(c1ccc(c(c1)N)C)C PI-19295 [0,2,0,0,0,0|1,0,0]=3 961 B11R1.21 CC1=C(C=C(C=C1)C(=O)C)Br PI-30577 [0,2,0,0,0,0|0,0,2]=4 962 B11R1.21 CC1=C(C=C(C=C1)C(=O)C)O PI-10230 [0,2,0,0,0,0|0,0,2]=4 963 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)C PI-27799 [0,2,0,0,0,0|1,0,1]=4 964 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)F PI-31159 [0,2,0,0,0,0|1,0,1]=4 965 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)I PI-31314 [0,2,0,0,0,0|1,0,1]=4 966 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)O PI-10215 [0,2,0,0,0,0|1,0,1]=4 967 B11R1.21 CC1=C(C=CC(=C1)C(=O)C)F PI-30538 [0,2,0,0,0,0|0,0,2]=4 968 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Br PI-22129 [0,2,0,0,0,0|1,0,1]=4 969 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Cl PI-31518 [0,2,0,0,0,0|1,0,1]=4 970 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)F PI-23746 [0,2,0,0,0,0|1,0,1]=4 971 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)O PI-20807 [0,2,0,0,0,0|1,0,1]=4 972 B11R1.21 CC1=C(C=CC(=C1)N(C)C)Br PI-46966 [0,2,0,0,0,0|2,0,0]=4 973 B11R1.21 OB(O)C1=CC(F)=C(Cl)C=C1 PI-28135 [0,2,0,0,0,0|2,0,0]=4 974 B11R1.21 OB(c1ccc(c(c1)C)F)O PI-16844 [0,2,0,0,0,0|2,0,0]=4 975 B11R1.21 OB(c1ccc(c(c1)Cl)Cl)O PI-14297 [0,2,0,0,0,0|2,0,0]=4 976 B11R1.21 OB(c1ccc(c(c1)F)F)O PI-16839 [0,2,0,0,0,0|2,0,0]=4 977 B11R1.21 OC(=O)C1=CC(I)=C(Br)C=C1 PI-39647 [0,2,0,0,0,0|1,0,1]=4 978 B11R1.21 OC(=O)c1ccc(C)c(Cl)c1 PI-30672 [0,2,0,0,0,0|1,0,1]=4 979 B11R1.21 OC(=O)c1ccc(Cl)c(F)c1 PI-16071 [0,2,0,0,0,0|1,0,1]=4 980 B11R1.21 OC(=O)c1ccc(N)c(C)c1 PI-27395 [0,2,0,0,0,0|1,0,1]=4 981 B11R1.21 OC(=O)c1ccc(O)c(N)c1 PI-10926 [0,2,0,0,0,0|1,0,1]=4 982 B11R1.21 OC(=O)c1ccc(O)c(O)c1 PI-20424 [0,2,0,0,0,0|1,0,1]=4 983 B11R1.21 OC(=O)c1ccc(c(c1)Br)C PI-30921 [0,2,0,0,0,0|1,0,1]=4 984 B11R1.21 OC(=O)c1ccc(c(c1)Br)Cl PI-14390 [0,2,0,0,0,0|1,0,1]=4 985 B11R1.21 OC(=O)c1ccc(c(c1)Br)F PI-16063 [0,2,0,0,0,0|1,0,1]=4 986 B11R1.21 OC(=O)c1ccc(c(c1)F)F PI-10196 [0,2,0,0,0,0|1,0,1]=4 987 B11R1.21 OC(=O)c1ccc(c(c1)F)O PI-23588 [0,2,0,0,0,0|1,0,1]=4 988 B11R1.21 OC(=O)c1ccc(c(c1)N)Cl PI-10214 [0,2,0,0,0,0|1,0,1]=4 989 B11R1.21 OC(=O)c1ccc(c(c1)N)N PI-27800 [0,2,0,0,0,0|1,0,1]=4 990 B11R1.21 OC(=O)c1ccc(c(c1)O)Cl PI-19468 [0,2,0,0,0,0|1,0,1]=4 991 B11R1.21 OC(=O)c1ccc(c(c1)S)N PI-27183 [0,2,0,0,0,0|1,0,1]=4 992 B11R1.22 BrCC(=O)c1ccc(F)cc1 PI-16507 [0,2,0,0,0,0|0,0,2]=4 993 B11R1.22 BrCC(=O)c1ccc(cc1)Cl PI-12174 [0,2,0,0,0,0|0,0,2]=4 994 B11R1.22 C1=CC(=CC=C1C(=NO)N)Br PI-14454 [0,2,0,0,0,0|1,0,1]=4 995 B11R1.22 C1=CC(=CC=C1C(=NO)N)Cl PI-30654 [0,2,0,0,0,0|1,0,1]=4 996 B11R1.22 C1=CC(=CC=C1C(=NO)N)F PI-23442 [0,2,0,0,0,0|1,0,1]=4 997 B11R1.22 C1=CC(=CC=C1C(=O)CBr)O PI-10322 [0,2,0,0,0,0|0,0,2]=4 998 B11R1.22 C1=CC(=CC=C1C(=O)CCl)F PI-28553 [0,2,0,0,0,0|0,0,2]=4 999 B11R1.22 C1=CC(=CC=C1C(=O)CF)Cl PI-30480 [0,2,0,0,0,0|0,0,2]=4 1000 B11R1.22 C1=CC(=CC=C1C(=O)CN)Br PI-29690 [0,2,0,0,0,0|0,0,2]=4 1001 B11R1.22 C1=CC(=CC=C1C(=O)CN)Cl PI-16147 [0,2,0,0,0,0|0,0,2]=4 1002 B11R1.22 C1=CC(=CC=C1C(=O)CN)F PI-10226 [0,2,0,0,0,0|0,0,2]=4 1003 B11R1.22 C1=CC(=CC=C1C(=O)CN)O PI-49411 [0,2,0,0,0,0|0,0,2]=4 1004 B11R1.22 C1=CC(=CC=C1C(=O)CO)Br PI-30487 [0,2,0,0,0,0|0,0,2]=4 1005 B11R1.22 C1=CC(=CC=C1C(=O)CO)Cl PI-30418 [0,2,0,0,0,0|0,0,2]=4 1006 B11R1.22 C1=CC(=CC=C1C(=O)CO)F PI-30583 [0,2,0,0,0,0|0,0,2]=4 1007 B11R1.22 C1=CC(=CC=C1C(C#N)N)F PI-15928 [0,2,0,0,0,0|1,0,1]=4 1008 B11R1.22 C1=CC(=CC=C1[C@@H](CCl)O)F PI-49814 [0,2,0,0,0,0|0,0,0]=2 1009 B11R1.22 CC1=CC=C(C=C1)C(=NO)N PI-30254 [0,2,0,0,0,0|1,0,1]=4 1010 B11R1.22 CC1=CC=C(C=C1)C(=O)CBr PI-27801 [0,2,0,0,0,0|0,0,2]=4 1011 B11R1.22 CC1=CC=C(C=C1)C(=O)CN PI-30703 [0,2,0,0,0,0|0,0,2]=4 1012 B11R1.22 CC1=CC=C(C=C1)C(=O)OC PI-50597 [0,2,0,0,0,0|0,0,2]=4 1013 B11R1.22 CCC(=O)C1=CC=C(C=C1)Br PI-12718 [0,2,0,0,0,0|0,0,2]=4 1014 B11R1.22 CCC(=O)C1=CC=C(C=C1)N PI-17560 [0,2,0,0,0,0|0,0,2]=4 1015 B11R1.22 CCN(C1=CC=C(C=C1)C)N PI-29774 [0,2,0,0,0,0|2,0,0]=4 1016 B11R1.22 CNC(=O)c1ccc(cc1)N PI-38046 [0,2,0,0,0,0|0,0,2]=4 1017 B11R1.22 COC(=O)C1=CC=C(C=C1)Br PI-11276 [0,2,0,0,0,0|0,0,2]=4 1018 B11R1.22 COC(=O)C1=CC=C(C=C1)I PI-18765 [0,2,0,0,0,0|0,0,2]=4 1019 B11R1.22 COC(=O)C1=CC=C(C=C1)N PI-12227 [0,2,0,0,0,0|0,0,2]=4 1020 B11R1.22 COC(=O)c1ccc(Cl)cc1 PI-30070 [0,2,0,0,0,0|0,0,2]=4 1021 B11R1.22 NC1=CC=C(C([O-4][K+2])=O)C=C1 PI-50445 [0,2,0,0,0,0|1,0,1]=4 1022 B11R1.22 O=C(OC)C1=CC=C(F)C=C1 PI-16967 [0,2,0,0,0,0|0,0,2]=4 1023 B11R1.166 B(C1=C(C=C(C=C1)Br)F)(O)O PI-14426 [0,2,0,0,0,0|2,0,0]=4 1024 B11R1.166 B(C1=C(C=C(C=C1)C)C)(O)O PI-25669 [0,2,0,0,0,0|2,0,0]=4 1025 B11R1.166 B(C1=C(C=C(C=C1)C)Cl)(O)O PI-19135 [0,2,0,0,0,0|2,0,0]=4 1026 B11R1.166 B(C1=C(C=C(C=C1)Cl)C)(O)O PI-19305 [0,2,0,0,0,0|2,0,0]=4 1027 B11R1.166 B(C1=C(C=C(C=C1)F)C)(O)O PI-23765 [0,2,0,0,0,0|2,0,0]=4 1028 B11R1.166 B(C1=C(C=C(C=C1)F)Cl)(O)O PI-10412 [0,2,0,0,0,0|2,0,0]=4 1029 B11R1.166 B(C1=C(C=C(C=C1)I)F)(O)O PI-16841 [0,2,0,0,0,0|2,0,0]=4 1030 B11R1.166 Brc1ccc(C(=O)C)c(F)c1 PI-30799 [0,2,0,0,0,0|0,0,2]=4 1031 B11R1.166 Brc1ccc(C(=O)O)c(F)c1 PI-16060 [0,2,0,0,0,0|1,0,1]=4 1032 B11R1.166 C1=CC(=C(C=C1Br)Cl)C(=O)O PI-28671 [0,2,0,0,0,0|1,0,1]=4 1033 B11R1.166 C1=CC(=C(C=C1Br)F)C(F)F PI-21640 [0,2,0,0,0,0|2,0,0]=4 1034 B11R1.166 C1=CC(=C(C=C1Br)N)C(=O)O PI-18326 [0,2,0,0,0,0|1,0,1]=4 1035 B11R1.166 C1=CC(=C(C=C1Br)O)C(=O)O PI-21374 [0,2,0,0,0,0|1,0,1]=4 1036 B11R1.166 C1=CC(=C(C=C1Cl)O)C(=O)O PI-33938 [0,2,0,0,0,0|1,0,1]=4 1037 B11R1.166 C1=CC(=C(C=C1F)Br)C(=O)O PI-16061 [0,2,0,0,0,0|1,0,1]=4 1038 B11R1.166 C1=CC(=C(C=C1F)Br)C(F)F PI-21639 [0,2,0,0,0,0|2,0,0]=4 1039 B11R1.166 C1=CC(=C(C=C1F)Cl)C(=O)O PI-16103 [0,2,0,0,0,0|1,0,1]=4 1040 B11R1.166 C1=CC(=C(C=C1F)I)C(=O)O PI-34280 [0,2,0,0,0,0|1,0,1]=4 1041 B11R1.166 C1=CC(=C(C=C1N)Cl)C(=O)O PI-10541 [0,2,0,0,0,0|1,0,1]=4 1042 B11R1.166 C1=CC(=C(C=C1N)F)C(=O)O PI-27599 [0,2,0,0,0,0|1,0,1]=4 1043 B11R1.166 C1=CC(=C(C=C1O)F)C(=O)O PI-28723 [0,2,0,0,0,0|1,0,1]=4 1044 B11R1.166 C1=CC(=CC(=C1C(O)=O)Br)Br PI-41212 [0,2,0,0,0,0|1,0,1]=4 1045 B11R1.166 CC(=O)C1=C(C=C(C=C1)Br)O PI-43291 [0,2,0,0,0,0|0,0,2]=4 1046 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)Br PI-20599 [0,2,0,0,0,0|0,0,2]=4 1047 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)Cl PI-33128 [0,2,0,0,0,0|0,0,2]=4 1048 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)O PI-30853 [0,2,0,0,0,0|0,0,2]=4 1049 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)Br PI-14425 [0,2,0,0,0,0|0,0,2]=4 1050 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)Cl PI-28768 [0,2,0,0,0,0|0,0,2]=4 1051 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)F PI-16939 [0,2,0,0,0,0|0,0,2]=4 1052 B11R1.166 CC(=O)C1=C(C=C(C=C1)N)O PI-42987 [0,2,0,0,0,0|0,0,2]=4 1053 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)Cl PI-12994 [0,2,0,0,0,0|0,0,2]=4 1054 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)F PI-16148 [0,2,0,0,0,0|0,0,2]=4 1055 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)N PI-30973 [0,2,0,0,0,0|0,0,2]=4 1056 B11R1.166 CC(C1=CC=C(F)C=C1O)=O PI-23585 [0,2,0,0,0,0|0,0,2]=4 1057 B11R1.166 CC(N)C1=CC=C(Cl)C=C1Cl PI-41295 [0,2,0,0,0,0|1,0,0]=3 1058 B11R1.166 CC1=C(C=CC(=C1)F)C(=O)O PI-10190 [0,2,0,0,0,0|1,0,1]=4 1059 B11R1.166 CC1=C(C=CC(=C1)O)C(=O)C PI-12264 [0,2,0,0,0,0|0,0,2]=4 1060 B11R1.166 CC1=CC(=C(C=C1)C(=O)C)C PI-11718 [0,2,0,0,0,0|0,0,2]=4 1061 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)C PI-16114 [0,2,0,0,0,0|1,0,1]=4 1062 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)F PI-18894 [0,2,0,0,0,0|1,0,1]=4 1063 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)O PI-15312 [0,2,0,0,0,0|1,0,1]=4 1064 B11R1.166 Cc1ccc(c(c1)Br)C(=O)O PI-22123 [0,2,0,0,0,0|1,0,1]=4 1065 B11R1.166 Cc1ccc(c(c1)F)B(O)O PI-25239 [0,2,0,0,0,0|2,0,0]=4 1066 B11R1.166 Cc1ccc(c(c1)N)C(=O)O PI-34285 [0,2,0,0,0,0|1,0,1]=4 1067 B11R1.166 Cc1ccc(c(c1)O)C(=O)C PI-29847 [0,2,0,0,0,0|0,0,2]=4 1068 B11R1.166 Clc1ccc(B(O)O)c(F)c1 PI-25209 [0,2,0,0,0,0|2,0,0]=4 1069 B11R1.166 Clc1ccc(C(=O)O)c(F)c1 PI-16109 [0,2,0,0,0,0|1,0,1]=4 1070 B11R1.166 Clc1ccc(C(=O)O)c(N)c1 PI-14296 [0,2,0,0,0,0|1,0,1]=4 1071 B11R1.166 Clc1ccc(c(c1)Br)C(=O)O PI-20610 [0,2,0,0,0,0|1,0,1]=4 1072 B11R1.166 Clc1ccc(c(c1)Cl)B(O)O PI-11579 [0,2,0,0,0,0|2,0,0]=4 1073 B11R1.166 Fc1ccc(B(O)O)c(F)c1 PI-28150 [0,2,0,0,0,0|2,0,0]=4 1074 B11R1.166 Fc1ccc(C(=O)O)c(F)c1 PI-10195 [0,2,0,0,0,0|1,0,1]=4 1075 B11R1.166 Fc1ccc(C(=O)O)c(N)c1 PI-16067 [0,2,0,0,0,0|1,0,1]=4 1076 B11R1.166 Fc1ccc(C(=O)O)c(O)c1 PI-34804 [0,2,0,0,0,0|1,0,1]=4 1077 B11R1.166 Ic1ccc(C(=O)O)c(N)c1 PI-35979 [0,2,0,0,0,0|1,0,1]=4 1078 B11R1.166 Ic1ccc(c(c1)O)C(=O)C PI-30931 [0,2,0,0,0,0|0,0,2]=4 1079 B11R1.166 Nc1ccc(c(c1)C)C(=O)O PI-38300 [0,2,0,0,0,0|1,0,1]=4 1080 B11R1.166 O=C(O)C1=CC=C(Br)C=C1I PI-41942 [0,2,0,0,0,0|1,0,1]=4 1081 B11R1.166 OC1=CC=C(C(C)C)C(O)=C1 PI-40893 [0,2,0,0,0,0|1,0,0]=3 1082 B11R1.166 Oc1ccc(C(=O)C)c(O)c1 PI-15410 [0,2,0,0,0,0|0,0,2]=4 1083 B11R1.166 Oc1ccc(C(=O)O)c(Cl)c1 PI-18689 [0,2,0,0,0,0|1,0,1]=4 1084 B11R1.166 Oc1ccc(c(c1)C)B(O)O PI-19648 [0,2,0,0,0,0|2,0,0]=4 1085 B11R1.7 C#CC(c1ccccc1)(O)C PI-39335 [0,2,0,0,0,0|0,0,0]=2 1086 B11R1.7 C1=CC=C(C=C1)C(CBr)(F)F PI-19048 [0,2,0,0,0,0|1,0,0]=3 1087 B11R1.7 C1=CC=C(C=C1)S(=O)(=O)CF PI-46454 [0,2,0,0,0,0|1,0,1]=4 1088 B11R1.7 CCC(C)(C)C1=CC=CC=C1 PI-12312 [0,2,0,0,0,0|1,0,0]=3 1089 B11R1.7 CCS(=O)(=O)C1=CC=CC=C1 PI-29736 [0,2,0,0,0,0|1,0,1]=4 1090 B11R1.7 COS(=O)(=O)C1=CC=CC=C1 PI-37901 [0,2,0,0,0,0|1,0,1]=4 1091 B11R1.7 C[Si](C)(C=C)C1=CC=CC=C1 PI-46042 [0,2,0,0,0,0|1,1,0]=4 1092 B11R1.7 C[Si](C)(CCl)C1=CC=CC=C1 PI-45032 [0,2,0,0,0,0|1,1,0]=4 1093 B11R1.12 B(C1=CC=CC=N1)(OC)OC PI-25128 [0,2,0,0,0,0|2,0,0]=4 1094 B11R1.12 CCC(C#N)C1=CC=CC=C1 PI-11343 [0,2,0,0,0,0|1,0,0]=3 1095 B11R1.12 CCN(CC)C1=CC=CC=C1 PI-49995 [0,2,0,0,0,0|2,0,0]=4 1096 B11R1.16 C1=CC=C(C=C1)C(CCO)N PI-30207 [0,2,0,0,0,0|1,0,0]=3 1097 B11R1.16 C1=CC=C(C=C1)C(CCO)N PI-30952 [0,2,0,0,0,0|1,0,0]=3 1098 B11R1.16 C1=CC=C(C=C1)C(CCO)N PI-45013 [0,2,0,0,0,0|1,0,0]=3 1099 B11R1.16 C1=CN=CC=C1[C@H](CCO)O PI-50215 [0,2,0,0,0,0|1,0,0]=3 1100 B11R1.16 C=COC(=O)C1=CC=CC=C1 PI-44652 [0,2,0,0,0,0|1,0,1]=4 1101 B11R1.16 CCCC(C1=CC=CC=C1)O PI-19327 [0,2,0,0,0,0|0,0,0]=2 1102 B11R1.16 CCCC(C1=CC=CC=C1)O PI-19763 [0,2,0,0,0,0|0,0,0]=2 1103 B11R1.16 CCOC(=N)C1=CC=CC=C1 PI-46544 [0,2,0,0,0,0|1,0,1]=4 1104 B11R1.16 CNOC(=O)C1=CC=CC=C1 PI-46922 [0,2,0,0,0,0|0,0,2]=4 1105 B11R1.16 COCC(=O)c1ccccc1 PI-11856 [0,2,0,0,0,0|0,0,2]=4 1106 B11R1.16 ClCCC(=O)c1ccccc1 PI-11246 [0,2,0,0,0,0|0,0,2]=4 1107 B11R1.16 ClCC[C@@H](c1ccccc1)O PI-12073 [0,2,0,0,0,0|0,0,0]=2 1108 B11R1.16 ClCC[C@H](c1ccccc1)O PI-12074 [0,2,0,0,0,0|0,0,0]=2 1109 B11R1.16 N#CCC(=O)c1ccccc1 PI-14837 [0,2,0,0,0,0|0,0,2]=4 1110 B11R1.16 O=C(OCCl)C1=CC=CC=C1 PI-40036 [0,2,0,0,0,0|0,0,2]=4 1111 B11R1.16 OCCN(c1ccccn1)C PI-28090 [0,2,0,0,0,0|2,0,0]=4 1112 B11R1.16 O\N=C\C(=O)c1ccccc1 PI-29665 [0,2,0,0,0,0|1,0,1]=4 1113 B11R1.23 BrCC(=O)c1cccc(Br)c1 PI-22228 [0,2,0,0,0,0|0,0,2]=4 1114 B11R1.23 C1=C(C=CC=C1C(OC)=O)O PI-18286 [0,2,0,0,0,0|0,0,2]=4 1115 B11R1.23 C1=CC(=CC(=C1)Br)C(CN)O PI-36568 [0,2,0,0,0,0|0,0,0]=2 1116 B11R1.23 C1=CC(=CC(=C1)Cl)C(=O)CBr PI-20200 [0,2,0,0,0,0|0,0,2]=4 1117 B11R1.23 C1=CC(=CC(=C1)Cl)C(=O)CCl PI-32569 [0,2,0,0,0,0|0,0,2]=4 1118 B11R1.23 C1=CC(=CC(=C1)F)C(=O)CBr PI-31564 [0,2,0,0,0,0|0,0,2]=4 1119 B11R1.23 C1=CC(=CC(=C1)O)C(CN)O PI-41192 [0,2,0,0,0,0|0,0,0]=2 1120 B11R1.23 CC1=CC(=CC=C1)C(=NO)N PI-19541 [0,2,0,0,0,0|1,0,1]=4 1121 B11R1.23 CC1=CC(=CC=C1)C(=O)OC PI-50285 [0,2,0,0,0,0|0,0,2]=4 1122 B11R1.23 CCC(=O)C1=CC(=CC=C1)F PI-28550 [0,2,0,0,0,0|0,0,2]=4 1123 B11R1.23 CCC(=O)C1=CC(=CC=C1)O PI-17471 [0,2,0,0,0,0|0,0,2]=4 1124 B11R1.23 CCC(=O)c1cccc(c1)Cl PI-13415 [0,2,0,0,0,0|0,0,2]=4 1125 B11R1.23 CCN(C1=CC=CC(=C1)C)N PI-30000 [0,2,0,0,0,0|2,0,0]=4 1126 B11R1.23 CNC(=O)C1=CC(=CC=C1)N PI-17436 [0,2,0,0,0,0|0,0,2]=4 1127 B11R1.23 COC(=O)C1=CC(=CC=C1)Br PI-29779 [0,2,0,0,0,0|0,0,2]=4 1128 B11R1.23 COC(=O)C1=CC(=CC=C1)Cl PI-14890 [0,2,0,0,0,0|0,0,2]=4 1129 B11R1.23 COC(=O)C1=CC(=CC=C1)F PI-34142 [0,2,0,0,0,0|0,0,2]=4 1130 B11R1.23 COC(=O)c1cccc(c1)N PI-10944 [0,2,0,0,0,0|0,0,2]=4 1131 B11R1.23 FC1=CC([C@H](N)CO)=CC=C1 PI-46646 [0,2,0,0,0,0|1,0,0]=3 1132 B11R1.23 O=C(OC)C1=CC=CC(I)=C1 PI-41906 [0,2,0,0,0,0|0,0,2]=4 1133 B11R1.222 BrCC(=O)c1ccccc1Br PI-31567 [0,2,0,0,0,0|0,0,2]=4 1134 B11R1.222 BrCC(=O)c1ccccc1Cl PI-20199 [0,2,0,0,0,0|0,0,2]=4 1135 B11R1.222 BrCC(=O)c1ccccc1F PI-17348 [0,2,0,0,0,0|0,0,2]=4 1136 B11R1.222 BrCC(=O)c1ccccc1O PI-31566 [0,2,0,0,0,0|0,0,2]=4 1137 B11R1.222 CC(=NO)C1=CC=CC=C1O PI-29083 [0,2,0,0,0,0|0,0,1]=3 1138 B11R1.222 CC1=CC=CC=C1C(=O)CBr PI-31565 [0,2,0,0,0,0|0,0,2]=4 1139 B11R1.222 CCC(=O)C1=CC=CC=C1F PI-16905 [0,2,0,0,0,0|0,0,2]=4 1140 B11R1.222 CCC(=O)c1ccccc1O PI-15452 [0,2,0,0,0,0|0,0,2]=4 1141 B11R1.222 COC(=O)C1=CC=CC=C1Br PI-50462 [0,2,0,0,0,0|0,0,2]=4 1142 B11R1.222 COC(=O)C1=CC=CC=C1Cl PI-34231 [0,2,0,0,0,0|0,0,2]=4 1143 B11R1.222 COC(=O)C1=CC=CC=C1F PI-34134 [0,2,0,0,0,0|0,0,2]=4 1144 B11R1.222 COC(=O)C1=CC=CC=C1S PI-50244 [0,2,0,0,0,0|0,0,2]=4 1145 B11R1.222 COC(=O)c1ccccc1I PI-10942 [0,2,0,0,0,0|0,0,2]=4 1146 B11R1.222 ONC(=O)c1ccccc1O PI-31365 [0,2,0,0,0,0|1,0,1]=4 1147 B11R1.87 C1=CC=C(C(=C1)C(F)(F)F)Br PI-32003 [0,2,0,0,0,0|2,0,0]=4 1148 B11R1.87 C1=CC=C(C(=C1)C(F)(F)F)F PI-32900 [0,2,0,0,0,0|2,0,0]=4 1149 B11R1.87 C1=CC=C(C(=C1)C(F)(F)F)I PI-34123 [0,2,0,0,0,0|2,0,0]=4 1150 B11R1.87 C1=CC=C(C(=C1)C(F)(F)F)O PI-16970 [0,2,0,0,0,0|2,0,0]=4 1151 B11R1.87 C1=CC=C(C(=C1)C(F)(F)F)S PI-17190 [0,2,0,0,0,0|2,0,0]=4 1152 B11R1.87 C1=CC=C(C(=C1)S(=O)(=O)O)I PI-48829 [0,2,0,0,0,0|2,0,0]=4 1153 B11R1.87 CC(C)(C1=CC=CC=C1Br)O PI-48990 [0,2,0,0,0,0|0,0,0]=2 1154 B11R1.87 CC1=CC=CC=C1C(F)(F)F PI-28128 [0,2,0,0,0,0|2,0,0]=4 1155 B11R1.87 CP(C)(=O)C1=C(N)C=CC=C1 PI-42394 [0,2,0,0,0,0|1,0,1]=4 1156 B11R1.87 C[Si](C)(C)C1=CC=CC=C1O PI-50096 [0,2,0,0,0,0|1,1,0]=4 1157 B11R1.87 Fc1ccccc1C(Cl)(Cl)Cl PI-33411 [0,2,0,0,0,0|2,0,0]=4 1158 B11R1.87 Nc1ccccc1C(F)(F)F PI-32002 [0,2,0,0,0,0|2,0,0]=4 1159 B11R1.155 Brc1cccc(c1)C(C)(C)C PI-20591 [0,2,0,0,0,0|1,0,0]=3 1160 B11R1.155 C1=CC(=CC(=C1)Br)C(F)(F)F PI-32891 [0,2,0,0,0,0|2,0,0]=4 1161 B11R1.155 C1=CC(=CC(=C1)F)C(F)(F)F PI-12218 [0,2,0,0,0,0|2,0,0]=4 1162 B11R1.155 C1=CC(=CC(=C1)O)C(F)(F)F PI-15309 [0,2,0,0,0,0|2,0,0]=4 1163 B11R1.155 CC(C)(C)C1=CC(=CC=C1)I PI-15641 [0,2,0,0,0,0|1,0,0]=3 1164 B11R1.155 CC(C)(C)C1=CC(=CC=C1)N PI-15625 [0,2,0,0,0,0|1,0,0]=3 1165 B11R1.155 CC(C)(C)C1=CC(=CC=C1)O PI-31950 [0,2,0,0,0,0|1,0,0]=3 1166 B11R1.155 CC1=CC(=CC=C1)C(F)(F)F PI-34398 [0,2,0,0,0,0|2,0,0]=4 1167 B11R1.155 CS(=O)(=O)C1=CC(=CC=C1)Br PI-22517 [0,2,0,0,0,0|1,0,1]=4 1168 B11R1.155 Clc1nccc(c1)C(C)(C)C PI-38218 [0,2,0,0,0,0|2,0,0]=4 1169 B11R1.155 Fc1cccc(c1)C(Cl)(Cl)Cl PI-33412 [0,2,0,0,0,0|2,0,0]=4 1170 B11R1.155 Ic1cccc(c1)C(F)(F)F PI-28503 [0,2,0,0,0,0|2,0,0]=4 1171 B11R1.155 Nc1cccc(c1)C(F)(F)F PI-31335 [0,2,0,0,0,0|2,0,0]=4 1172 B11R1.155 Sc1cccc(c1)C(F)(F)F PI-30981 [0,2,0,0,0,0|2,0,0]=4 1173 B11R1.53 B(C1=CC=CC=C1C=C)(O)O PI-25181 [0,2,0,0,0,0|2,0,0]=4 1174 B11R1.53 B(C1=CC=CC=C1CBr)(O)O PI-14464 [0,2,0,0,0,0|2,0,0]=4 1175 B11R1.53 B(C1=CC=CC=C1CC)(O)O PI-32999 [0,2,0,0,0,0|2,0,0]=4 1176 B11R1.53 B(C1=CC=CC=C1CO)(O)O PI-25935 [0,2,0,0,0,0|2,0,0]=4 1177 B11R1.53 C#CC1=CC=CC=C1C(=O)O PI-46516 [0,2,0,0,0,0|1,0,1]=4 1178 B11R1.53 C1=CC=C(C(=C1)C#N)C(=O)O PI-10222 [0,2,0,0,0,0|1,0,1]=4 1179 B11R1.53 C1=CC=CC(=C1CCl)C(O)=O PI-32625 [0,2,0,0,0,0|1,0,1]=4 1180 B11R1.53 CC(=O)C1=CC=CC=C1C#N PI-30977 [0,2,0,0,0,0|0,0,2]=4 1181 B11R1.53 CNC1=CC=CC=C1C(=O)O PI-50482 [0,2,0,0,0,0|1,0,1]=4 1182 B11R1.53 COc1ccccc1C(=O)C PI-12757 [0,2,0,0,0,0|0,0,2]=4 1183 B11R1.53 CSc1ccccc1B(O)O PI-11570 [0,2,0,0,0,0|2,0,0]=4 1184 B11R1.53 N#Cc1ccccc1B(O)O PI-25137 [0,2,0,0,0,0|2,0,0]=4 1185 B11R1.53 NNc1ccccc1C(=O)O PI-18621 [0,2,0,0,0,0|1,0,1]=4 1186 B11R1.53 O=Cc1ccccc1B(O)O PI-16628 [0,2,0,0,0,0|2,0,0]=4 1187 B11R1.53 O=Cc1ccccc1C(=O)O PI-36784 [0,2,0,0,0,0|1,0,1]=4 1188 B11R1.53 O=Cc1ccccc1N(C)C PI-23369 [0,2,0,0,0,0|2,0,0]=4 1189 B11R1.156 B(C1=C(C=CC=C1Br)F)(O)O PI-49956 [0,2,0,0,0,0|2,0,0]=4 1190 B11R1.156 C1=CC(=C(C(=C1)Br)C(=O)O)N PI-36015 [0,2,0,0,0,0|1,0,1]=4 1191 B11R1.156 C1=CC(=C(C(=C1)Cl)C(=O)O)F PI-16105 [0,2,0,0,0,0|1,0,1]=4 1192 B11R1.156 C1=CC(=C(C(=C1)Cl)C(=O)O)N PI-10860 [0,2,0,0,0,0|1,0,1]=4 1193 B11R1.156 C1=CC(=C(C(=C1)F)C(=O)O)O PI-34340 [0,2,0,0,0,0|1,0,1]=4 1194 B11R1.156 C1=CC(=C(C(=C1)I)C(=O)O)F PI-34284 [0,2,0,0,0,0|1,0,1]=4 1195 B11R1.156 CC(=O)c1c(Cl)cccc1Cl PI-20998 [0,2,0,0,0,0|0,0,2]=4 1196 B11R1.156 CC(=O)c1c(F)cccc1Cl PI-20054 [0,2,0,0,0,0|0,0,2]=4 1197 B11R1.156 CC(=O)c1c(F)cccc1F PI-31057 [0,2,0,0,0,0|0,0,2]=4 1198 B11R1.156 CC(=O)c1c(O)cccc1O PI-11029 [0,2,0,0,0,0|0,0,2]=4 1199 B11R1.156 CC1=C(C(=CC=C1)C)C(=O)C PI-30312 [0,2,0,0,0,0|0,0,2]=4 1200 B11R1.156 CC1=C(C(=CC=C1)C)C(=O)O PI-27811 [0,2,0,0,0,0|1,0,1]=4 1201 B11R1.156 OB(O)c1c(C)cccc1C PI-25020 [0,2,0,0,0,0|2,0,0]=4 1202 B11R1.156 OB(O)c1c(Cl)cccc1Cl PI-35960 [0,2,0,0,0,0|2,0,0]=4 1203 B11R1.156 OB(c1c(C)cccc1F)O PI-39214 [0,2,0,0,0,0|2,0,0]=4 1204 B11R1.156 OB(c1c(F)cccc1Cl)O PI-39190 [0,2,0,0,0,0|2,0,0]=4 1205 B11R1.156 OB(c1c(F)cccc1F)O PI-28192 [0,2,0,0,0,0|2,0,0]=4 1206 B11R1.156 OC(=O)c1c(C)cccc1Cl PI-11820 [0,2,0,0,0,0|1,0,1]=4 1207 B11R1.156 OC(=O)c1c(C)cccc1F PI-10193 [0,2,0,0,0,0|1,0,1]=4 1208 B11R1.156 OC(=O)c1c(C)cccc1N PI-18553 [0,2,0,0,0,0|1,0,1]=4 1209 B11R1.156 OC(=O)c1c(Cl)cccc1Br PI-20612 [0,2,0,0,0,0|1,0,1]=4 1210 B11R1.156 OC(=O)c1c(Cl)cccc1Cl PI-14298 [0,2,0,0,0,0|1,0,1]=4 1211 B11R1.156 OC(=O)c1c(F)cccc1Br PI-10187 [0,2,0,0,0,0|1,0,1]=4 1212 B11R1.156 OC(=O)c1c(F)cccc1F PI-31178 [0,2,0,0,0,0|1,0,1]=4 1213 B11R1.156 OC(=O)c1c(N)cccc1F PI-16068 [0,2,0,0,0,0|1,0,1]=4 1214 B11R1.156 OC(=O)c1c(N)cccc1I PI-36088 [0,2,0,0,0,0|1,0,1]=4 1215 B11R1.156 OC(=O)c1c(O)cccc1O PI-32768 [0,2,0,0,0,0|1,0,1]=4 1216 B11R1.159 B(C1=C(C(=CC=C1)Cl)C)(O)O PI-19429 [0,2,0,0,0,0|2,0,0]=4 1217 B11R1.159 B(C1=C(C(=CC=C1)Cl)Cl)(O)O PI-33003 [0,2,0,0,0,0|2,0,0]=4 1218 B11R1.159 B(C1=C(C(=CC=C1)Cl)F)(O)O PI-25475 [0,2,0,0,0,0|2,0,0]=4 1219 B11R1.159 B(C1=C(C(=CC=C1)F)Cl)(O)O PI-48731 [0,2,0,0,0,0|2,0,0]=4 1220 B11R1.159 C1=CC(=C(C(=C1)Br)N)C(=O)O PI-27326 [0,2,0,0,0,0|1,0,1]=4 1221 B11R1.159 C1=CC(=C(C(=C1)Cl)F)C(=O)O PI-16070 [0,2,0,0,0,0|1,0,1]=4 1222 B11R1.159 C1=CC(=C(C(=C1)F)Cl)C(=O)O PI-18055 [0,2,0,0,0,0|1,0,1]=4 1223 B11R1.159 C1=CC(=C(C(=C1)F)F)C(=O)O PI-10290 [0,2,0,0,0,0|1,0,1]=4 1224 B11R1.159 C1=CC(=C(C(=C1)F)N)C(=O)O PI-10452 [0,2,0,0,0,0|1,0,1]=4 1225 B11R1.159 C1=CC(=C(C(=C1)N)F)C(=O)O PI-34457 [0,2,0,0,0,0|1,0,1]=4 1226 B11R1.159 C1=CC(=C(C(=C1)N)N)C(=O)O PI-39985 [0,2,0,0,0,0|1,0,1]=4 1227 B11R1.159 C1=CC(=C(C(=C1)N)O)C(=O)O PI-14096 [0,2,0,0,0,0|1,0,1]=4 1228 B11R1.159 C1=CC(=C(C(=C1)O)O)C(=O)O PI-16110 [0,2,0,0,0,0|1,0,1]=4 1229 B11R1.159 CC(=O)C1=C(C(=CC=C1)Cl)Cl PI-20997 [0,2,0,0,0,0|0,0,2]=4 1230 B11R1.159 CC(=O)C1=C(C(=CC=C1)N)O PI-10229 [0,2,0,0,0,0|0,0,2]=4 1231 B11R1.159 CC(=O)C1=C(C(=CC=C1)O)O PI-30124 [0,2,0,0,0,0|0,0,2]=4 1232 B11R1.159 CC(=O)c1cccc(Br)c1F PI-34270 [0,2,0,0,0,0|0,0,2]=4 1233 B11R1.159 CC(=O)c1cccc(c1F)F PI-21122 [0,2,0,0,0,0|0,0,2]=4 1234 B11R1.159 CC(=O)c1cccc(c1O)N PI-39350 [0,2,0,0,0,0|0,0,2]=4 1235 B11R1.159 CC(C1=CC=CC(Br)=C1O)=O PI-41897 [0,2,0,0,0,0|0,0,2]=4 1236 B11R1.159 CC(C1=CC=CC(Cl)=C1O)=O PI-29482 [0,2,0,0,0,0|0,0,2]=4 1237 B11R1.159 CC1=C(C(=CC=C1)C(=O)C)C PI-30311 [0,2,0,0,0,0|0,0,2]=4 1238 B11R1.159 CC1=C(C(=CC=C1)C(=O)O)C PI-27770 [0,2,0,0,0,0|1,0,1]=4 1239 B11R1.159 CC1=C(C(=CC=C1)C(=O)O)Cl PI-31520 [0,2,0,0,0,0|1,0,1]=4 1240 B11R1.159 CC1=C(C(=CC=C1)C(=O)O)F PI-10191 [0,2,0,0,0,0|1,0,1]=4 1241 B11R1.159 CC1=C(C(=CC=C1)C(=O)O)N PI-10074 [0,2,0,0,0,0|1,0,1]=4 1242 B11R1.159 CC1=C(C=CC=C1Br)C(=O)O PI-22125 [0,2,0,0,0,0|1,0,1]=4 1243 B11R1.159 CC1=C(C=CC=C1O)C(=O)O PI-11926 [0,2,0,0,0,0|1,0,1]=4 1244 B11R1.159 CN(C)C1=C(C(=CC=C1)Cl)Cl PI-21030 [0,2,0,0,0,0|2,0,0]=4 1245 B11R1.159 Fc1cccc(B(O)O)c1F PI-28087 [0,2,0,0,0,0|2,0,0]=4 1246 B11R1.159 O=C(O)C1=CC=CC(N)=C1C PI-16107 [0,2,0,0,0,0|1,0,1]=4 1247 B11R1.159 OB(C1=CC=CC(C)=C1C)O PI-25274 [0,2,0,0,0,0|2,0,0]=4 1248 B11R1.159 OB(c1cccc(c1C)F)O PI-19177 [0,2,0,0,0,0|2,0,0]=4 1249 B11R1.159 OC(=O)c1cccc(C)c1Br PI-22122 [0,2,0,0,0,0|1,0,1]=4 1250 B11R1.159 OC(=O)c1cccc(Cl)c1N PI-10209 [0,2,0,0,0,0|1,0,1]=4 1251 B11R1.159 OC(=O)c1cccc(F)c1C PI-10192 [0,2,0,0,0,0|1,0,1]=4 1252 B11R1.159 OC(=O)c1cccc(I)c1N PI-35980 [0,2,0,0,0,0|1,0,1]=4 1253 B11R1.159 OC(=O)c1cccc(O)c1N PI-30706 [0,2,0,0,0,0|1,0,1]=4 1254 B11R1.159 OC(=O)c1cccc(c1Br)F PI-10189 [0,2,0,0,0,0|1,0,1]=4 1255 B11R1.159 OC(=O)c1cccc(c1F)Br PI-10188 [0,2,0,0,0,0|1,0,1]=4 1256 B11R1.159 OC(=O)c1cccc(c1O)F PI-23590 [0,2,0,0,0,0|1,0,1]=4 1257 B11R1.167 B(C1=C(C=CC(=C1)Cl)C)(O)O PI-19142 [0,2,0,0,0,0|2,0,0]=4 1258 B11R1.167 B(C1=C(C=CC(=C1)F)C)(O)O PI-25223 [0,2,0,0,0,0|2,0,0]=4 1259 B11R1.167 B(C1=C(C=CC(=C1)F)Cl)(O)O PI-40463 [0,2,0,0,0,0|2,0,0]=4 1260 B11R1.167 B(C1=C(C=CC(=C1)F)F)(O)O PI-28247 [0,2,0,0,0,0|2,0,0]=4 1261 B11R1.167 B(C1=C(C=CC(=C1)O)F)(O)O PI-49982 [0,2,0,0,0,0|2,0,0]=4 1262 B11R1.167 Brc1ccc(I)c(c1)C(=O)O PI-21527 [0,2,0,0,0,0|1,0,1]=4 1263 B11R1.167 Brc1ccc(c(c1)C(=O)O)Br PI-27786 [0,2,0,0,0,0|1,0,1]=4 1264 B11R1.167 Brc1ccc(c(c1)C(=O)O)Cl PI-28277 [0,2,0,0,0,0|1,0,1]=4 1265 B11R1.167 Brc1ccc(c(c1)C(=O)O)F PI-16059 [0,2,0,0,0,0|1,0,1]=4 1266 B11R1.167 C1=CC(=C(C=C1Br)C(=O)O)N PI-16097 [0,2,0,0,0,0|1,0,1]=4 1267 B11R1.167 C1=CC(=C(C=C1Br)C(=O)O)S PI-44100 [0,2,0,0,0,0|1,0,1]=4 1268 B11R1.167 C1=CC(=C(C=C1Br)C(F)F)F PI-21641 [0,2,0,0,0,0|2,0,0]=4 1269 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)Br PI-20611 [0,2,0,0,0,0|1,0,1]=4 1270 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)Cl PI-16113 [0,2,0,0,0,0|1,0,1]=4 1271 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)F PI-28487 [0,2,0,0,0,0|1,0,1]=4 1272 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)O PI-33939 [0,2,0,0,0,0|1,0,1]=4 1273 B11R1.167 C1=CC(=C(C=C1F)C(=O)O)Br PI-16102 [0,2,0,0,0,0|1,0,1]=4 1274 B11R1.167 C1=CC(=C(C=C1F)C(=O)O)O PI-28413 [0,2,0,0,0,0|1,0,1]=4 1275 B11R1.167 C1=CC(=C(C=C1I)C(=O)O)Cl PI-44655 [0,2,0,0,0,0|1,0,1]=4 1276 B11R1.167 C1=CC(=C(C=C1I)C(=O)O)F PI-18130 [0,2,0,0,0,0|1,0,1]=4 1277 B11R1.167 C1=CC(=C(C=C1N)C(=O)O)F PI-16066 [0,2,0,0,0,0|1,0,1]=4 1278 B11R1.167 C1=CC(=C(C=C1N)C(=O)O)O PI-33946 [0,2,0,0,0,0|1,0,1]=4 1279 B11R1.167 CC(=O)C1=C(C=CC(=C1)Br)F PI-40483 [0,2,0,0,0,0|0,0,2]=4 1280 B11R1.167 CC(=O)C1=C(C=CC(=C1)Br)N PI-50076 [0,2,0,0,0,0|0,0,2]=4 1281 B11R1.167 CC(=O)C1=C(C=CC(=C1)Br)O PI-15407 [0,2,0,0,0,0|0,0,2]=4 1282 B11R1.167 CC(=O)C1=C(C=CC(=C1)Cl)O PI-11257 [0,2,0,0,0,0|0,0,2]=4 1283 B11R1.167 CC(=O)C1=C(C=CC(=C1)F)F PI-28256 [0,2,0,0,0,0|0,0,2]=4 1284 B11R1.167 CC(=O)C1=C(C=CC(=C1)F)O PI-16161 [0,2,0,0,0,0|0,0,2]=4 1285 B11R1.167 CC(=O)C1=C(C=CC(=C1)N)Cl PI-31000 [0,2,0,0,0,0|0,0,2]=4 1286 B11R1.167 CC(C1=CC(F)=CC=C1I)=O PI-41210 [0,2,0,0,0,0|0,0,2]=4 1287 B11R1.167 CC(C1=CC(F)=CC=C1N)=O PI-46722 [0,2,0,0,0,0|0,0,2]=4 1288 B11R1.167 CC1=C(C=C(C=C1)Br)C(=O)O PI-31513 [0,2,0,0,0,0|1,0,1]=4 1289 B11R1.167 CC1=C(C=C(C=C1)I)C(=O)O PI-35497 [0,2,0,0,0,0|1,0,1]=4 1290 B11R1.167 CC1=CC(=C(C=C1)Br)C(=O)O PI-22124 [0,2,0,0,0,0|1,0,1]=4 1291 B11R1.167 CC1=CC(=C(C=C1)C)C(=O)C PI-23365 [0,2,0,0,0,0|0,0,2]=4 1292 B11R1.167 CC1=CC(=C(C=C1)C)C(=O)O PI-16116 [0,2,0,0,0,0|1,0,1]=4 1293 B11R1.167 CC1=CC(=C(C=C1)Cl)C(=O)O PI-44945 [0,2,0,0,0,0|1,0,1]=4 1294 B11R1.167 CC1=CC(=C(C=C1)F)C(=O)C PI-30627 [0,2,0,0,0,0|0,0,2]=4 1295 B11R1.167 CC1=CC(=C(C=C1)F)C(=O)O PI-10194 [0,2,0,0,0,0|1,0,1]=4 1296 B11R1.167 CC1=CC(=C(C=C1)I)C(=O)O PI-44708 [0,2,0,0,0,0|1,0,1]=4 1297 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)C PI-16152 [0,2,0,0,0,0|0,0,2]=4 1298 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)O PI-12037 [0,2,0,0,0,0|1,0,1]=4 1299 B11R1.167 Cc1ccc(C)c(c1)B(O)O PI-33619 [0,2,0,0,0,0|2,0,0]=4 1300 B11R1.167 Cc1ccc(c(c1)B(O)O)Cl PI-19269 [0,2,0,0,0,0|2,0,0]=4 1301 B11R1.167 Cc1ccc(c(c1)B(O)O)F PI-19183 [0,2,0,0,0,0|2,0,0]=4 1302 B11R1.167 Cc1ccc(c(c1)C(=O)O)I PI-44956 [0,2,0,0,0,0|1,0,1]=4 1303 B11R1.167 Cc1ccc(c(c1)C(=O)O)N PI-11791 [0,2,0,0,0,0|1,0,1]=4 1304 B11R1.167 Clc1ccc(c(c1)B(O)O)Cl PI-11580 [0,2,0,0,0,0|2,0,0]=4 1305 B11R1.167 Clc1ccc(c(c1)B(O)O)O PI-39030 [0,2,0,0,0,0|2,0,0]=4 1306 B11R1.167 Clc1ccc(c(c1)C(=O)C)Cl PI-11720 [0,2,0,0,0,0|0,0,2]=4 1307 B11R1.167 Fc1ccc(Cl)c(c1)C(=O)C PI-29442 [0,2,0,0,0,0|0,0,2]=4 1308 B11R1.167 Fc1ccc(F)c(c1)C(=O)O PI-16919 [0,2,0,0,0,0|1,0,1]=4 1309 B11R1.167 Fc1ccc(I)c(c1)C(=O)O PI-34282 [0,2,0,0,0,0|1,0,1]=4 1310 B11R1.167 Fc1ccc(c(c1)C(=O)O)C PI-16069 [0,2,0,0,0,0|1,0,1]=4 1311 B11R1.167 Fc1ccc(c(c1)C(=O)O)N PI-16065 [0,2,0,0,0,0|1,0,1]=4 1312 B11R1.167 Ic1ccc(N)c(c1)C(=O)O PI-16099 [0,2,0,0,0,0|1,0,1]=4 1313 B11R1.167 Ic1ccc(c(c1)C(=O)O)Br PI-21526 [0,2,0,0,0,0|1,0,1]=4 1314 B11R1.167 NC1=CC(C(O)=O)=C(N)C=C1 PI-31741 [0,2,0,0,0,0|1,0,1]=4 1315 B11R1.167 Nc1ccc(O)cc1C(O)=O PI-10210 [0,2,0,0,0,0|1,0,1]=4 1316 B11R1.167 Nc1ccc(c(c1)C(=O)O)Br PI-33365 [0,2,0,0,0,0|1,0,1]=4 1317 B11R1.167 Nc1ccc(c(c1)C(=O)O)Cl PI-27966 [0,2,0,0,0,0|1,0,1]=4 1318 B11R1.167 O=C(O)C1=CC(F)=CC=C1Cl PI-16104 [0,2,0,0,0,0|1,0,1]=4 1319 B11R1.167 OB(C1=CC(Cl)=CC=C1F)O PI-25476 [0,2,0,0,0,0|2,0,0]=4 1320 B11R1.167 OC1=CC=C(Br)C=C1C(C)C PI-37179 [0,2,0,0,0,0|1,0,0]=3 1321 B11R1.167 Oc1ccc(O)c(c1)C(=O)C PI-31206 [0,2,0,0,0,0|0,0,2]=4 1322 B11R1.167 Oc1ccc(c(c1)C(=O)O)F PI-23587 [0,2,0,0,0,0|1,0,1]=4 1323 B11R1.167 Oc1ccc(c(c1)C(=O)O)O PI-12845 [0,2,0,0,0,0|1,0,1]=4 1324 B11R1.74 B(C1=CC(=CC(=C1)Br)C)(O)O PI-19936 [0,2,0,0,0,0|2,0,0]=4 1325 B11R1.74 B(C1=CC(=CC(=C1)Br)Cl)(O)O PI-49933 [0,2,0,0,0,0|2,0,0]=4 1326 B11R1.74 B(C1=CC(=CC(=C1)Cl)Cl)(O)O PI-30843 [0,2,0,0,0,0|2,0,0]=4 1327 B11R1.74 B(C1=CC(=CC(=C1)F)C)(O)O PI-19946 [0,2,0,0,0,0|2,0,0]=4 1328 B11R1.74 B(C1=CC(=CC(=C1)F)F)(O)O PI-16838 [0,2,0,0,0,0|2,0,0]=4 1329 B11R1.74 B(C1=CC(=CC(=C1)F)O)(O)O PI-49940 [0,2,0,0,0,0|2,0,0]=4 1330 B11R1.74 Brc1cc(Br)cc(c1)B(O)O PI-30086 [0,2,0,0,0,0|2,0,0]=4 1331 B11R1.74 C1=C(C=C(C=C1Br)I)C(=O)O PI-21371 [0,2,0,0,0,0|1,0,1]=4 1332 B11R1.74 C1=C(C=C(C=C1Cl)Cl)C(=O)O PI-11891 [0,2,0,0,0,0|1,0,1]=4 1333 B11R1.74 C1=C(C=C(C=C1F)Br)C(=O)O PI-16064 [0,2,0,0,0,0|1,0,1]=4 1334 B11R1.74 C1=C(C=C(C=C1N)N)C(=O)O PI-33050 [0,2,0,0,0,0|1,0,1]=4 1335 B11R1.74 C1=C(C=C(C=C1O)Br)C(=O)O PI-47172 [0,2,0,0,0,0|1,0,1]=4 1336 B11R1.74 C1=C(C=C(C=C1O)Cl)C(=O)O PI-47171 [0,2,0,0,0,0|1,0,1]=4 1337 B11R1.74 CC(=O)C1=CC(=CC(=C1)Br)Br PI-40368 [0,2,0,0,0,0|0,0,2]=4 1338 B11R1.74 CC(=O)C1=CC(=CC(=C1)Cl)Cl PI-29140 [0,2,0,0,0,0|0,0,2]=4 1339 B11R1.74 CC(C1=CC(Br)=CC(Br)=C1)C PI-39445 [0,2,0,0,0,0|1,0,0]=3 1340 B11R1.74 CC(C1=CC(F)=CC(F)=C1)=O PI-16883 [0,2,0,0,0,0|0,0,2]=4 1341 B11R1.74 CC(C1=CC(O)=CC(O)=C1)=O PI-11032 [0,2,0,0,0,0|0,0,2]=4 1342 B11R1.74 CC1=CC(=CC(=C1)N(C)C)C PI-27629 [0,2,0,0,0,0|2,0,0]=4 1343 B11R1.74 CN(C)C1=CC(=CC(=C1)Br)Br PI-50166 [0,2,0,0,0,0|2,0,0]=4 1344 B11R1.74 Cc1cc(C)cc(c1)B(O)O PI-25243 [0,2,0,0,0,0|2,0,0]=4 1345 B11R1.74 Cc1cc(C)cc(c1)C(=O)C PI-30691 [0,2,0,0,0,0|0,0,2]=4 1346 B11R1.74 Cc1cc(C)cc(c1)C(=O)O PI-31207 [0,2,0,0,0,0|1,0,1]=4 1347 B11R1.74 Cc1cc(F)cc(c1)C(=O)O PI-34459 [0,2,0,0,0,0|1,0,1]=4 1348 B11R1.74 Cc1cc(O)cc(c1)C(=O)O PI-39027 [0,2,0,0,0,0|1,0,1]=4 1349 B11R1.74 Clc1cc(Br)cc(c1)C(=O)O PI-35805 [0,2,0,0,0,0|1,0,1]=4 1350 B11R1.74 Fc1cc(F)cc(c1)C(=O)O PI-10428 [0,2,0,0,0,0|1,0,1]=4 1351 B11R1.74 Ic1cc(I)cc(c1)C(=O)O PI-36327 [0,2,0,0,0,0|1,0,1]=4 1352 B11R1.74 OC(=O)c1cc(Br)cc(c1)Br PI-20961 [0,2,0,0,0,0|1,0,1]=4 1353 B11R1.74 Oc1cc(O)cc(c1)C(=O)O PI-33401 [0,2,0,0,0,0|1,0,1]=4 1354 B11R1.266 B(C1=CC(=CC=C1)C=C)(O)O PI-25182 [0,2,0,0,0,0|2,0,0]=4 1355 B11R1.266 B(C1=CC(=CC=C1)CBr)(O)O PI-14465 [0,2,0,0,0,0|2,0,0]=4 1356 B11R1.266 B(C1=CC(=CC=C1)CN)(O)O PI-14109 [0,2,0,0,0,0|2,0,0]=4 1357 B11R1.266 B(C1=CC(=CC=C1)CN)(O)O PI-25469 [0,2,0,0,0,0|2,0,0]=4 1358 B11R1.266 B(C1=CC(=CC=C1)OC)(O)O PI-16835 [0,2,0,0,0,0|2,0,0]=4 1359 B11R1.266 B(C1=CC(=CC=C1)SC)(O)O PI-11569 [0,2,0,0,0,0|2,0,0]=4 1360 B11R1.266 C1=CC(=CC(=C1)C(=O)O)C#N PI-16124 [0,2,0,0,0,0|1,0,1]=4 1361 B11R1.266 C1=CC(=CC(=C1)C(=O)O)CCl PI-27471 [0,2,0,0,0,0|1,0,1]=4 1362 B11R1.266 C1=CC(=CC(=C1)C(=O)O)CN PI-30963 [0,2,0,0,0,0|1,0,1]=4 1363 B11R1.266 C1=CC(=CC(=C1)C(=O)O)CN PI-33743 [0,2,0,0,0,0|1,0,1]=4 1364 B11R1.266 CC(=O)C1=CC(=CC=C1)OC PI-44646 [0,2,0,0,0,0|0,0,2]=4 1365 B11R1.266 CC(=O)C1=CC=CC(=C1)CCl PI-16155 [0,2,0,0,0,0|0,0,2]=4 1366 B11R1.266 CC(C)C1=NC(=CC=C1)OC PI-31677 [0,2,0,0,0,0|2,0,0]=4 1367 B11R1.266 CC(C)C1=NC=CC(=C1)C=O PI-44045 [0,2,0,0,0,0|2,0,0]=4 1368 B11R1.266 CCC1=CC(=CC=C1)C(=O)C PI-22041 [0,2,0,0,0,0|0,0,2]=4 1369 B11R1.266 CCC1=NC(=CC=C1)C(C)C PI-19881 [0,2,0,0,0,0|2,0,0]=4 1370 B11R1.266 CN(C)C1=CC(=CC=C1)OC PI-48688 [0,2,0,0,0,0|2,0,0]=4 1371 B11R1.266 CN(C)C1=CC=CC(=C1)CO PI-21930 [0,2,0,0,0,0|2,0,0]=4 1372 B11R1.266 COC1=CC=CC(=C1)C(=O)O PI-33400 [0,2,0,0,0,0|1,0,1]=4 1373 B11R1.266 N#Cc1cccc(c1)B(O)O PI-16427 [0,2,0,0,0,0|2,0,0]=4 1374 B11R1.266 N#Cc1cccc(c1)C(=O)C PI-29763 [0,2,0,0,0,0|0,0,2]=4 1375 B11R1.266 N#Cc1cccc(c1)[C@@H](N)C PI-34601 [0,2,0,0,0,0|1,0,0]=3 1376 B11R1.266 N#Cc1cccc(c1)[C@H](N)C PI-34602 [0,2,0,0,0,0|1,0,0]=3 1377 B11R1.266 O=Cc1cccc(c1)B(O)O PI-16428 [0,2,0,0,0,0|2,0,0]=4 1378 B11R1.266 O=Cc1cccc(c1)C(=O)O PI-31248 [0,2,0,0,0,0|1,0,1]=4 1379 B11R1.266 OCC1=CC=CC(=C1)C(O)=O PI-42488 [0,2,0,0,0,0|1,0,1]=4 1380 B11R1.266 OCc1cccc(c1)B(O)O PI-10035 [0,2,0,0,0,0|2,0,0]=4 1381 B9R1.13 CN(C)C=C1C=CC=C1 PI-48994 [0,0,1,1,0,0|2,0,0]=4 1382 B9R2.50 C1CC2=CC=CC=C21 PI-40928 [1,0,0,1,0,0|0,0,0]=2 1383 B11R2.4 N[C@H]1C[C@@H]1c2ccccc2 PI-25120 [0,0,0,1,0,1|1,0,0]=3 1384 B11R2.10 BrB1Oc2c(O1)cccc2 PI-38370 [0,0,0,1,0,1|2,0,0]=4 1385 B11R2.10 C1=CC=C2C(=C1)C=C(O2)Br PI-45424 [0,0,0,1,0,1|1,0,1]=4 1386 B11R2.10 C1=CC=C2C(=C1)NC(=S)O2 PI-32430 [0,0,0,1,0,1|1,0,1]=4 1387 B11R2.10 C1C(=O)CC2=CC=CC=C21 PI-11611 [0,0,0,1,0,1|0,0,2]=4 1388 B11R2.10 C1C(CC2=CC=CC=C21)O PI-11612 [0,0,0,1,0,1|0,0,0]=2 1389 B11R2.10 C1C2=CC=CC=C2C=C1Br PI-24035 [0,0,0,1,0,1|1,0,1]=4 1390 B11R2.10 CC1=CC2=CC=CC=C2C1 PI-30321 [0,0,0,1,0,1|1,0,1]=4 1391 B11R2.10 CC1=CC2=CC=CC=C2N1 PI-31662 [0,0,0,1,0,1|1,0,1]=4 1392 B11R2.10 CC1=CC2=CC=CC=C2S1 PI-29081 [0,0,0,1,0,1|0,1,1]=4 1393 B11R2.10 CC1=NC2=CC=CC=C2N1 PI-11865 [0,0,0,1,0,1|1,0,1]=4 1394 B11R2.10 CC1=NC2=CC=CC=C2O1 PI-11866 [0,0,0,1,0,1|0,0,1]=3 1395 B11R2.10 CC1CC2=CC=CC=C2O1 PI-17206 [0,0,0,1,0,1|0,0,0]=2 1396 B11R2.10 CC1NC2=C(C=CC=C2)C1 PI-11338 [0,0,0,1,0,1|1,0,0]=3 1397 B11R2.10 ClB1Oc2c(O1)cccc2 PI-38371 [0,0,0,1,0,1|2,0,0]=4 1398 B11R2.10 Clc1nc2ccccc2o1 PI-33937 [0,0,0,1,0,1|1,0,1]=4 1399 B11R2.10 NC1CC2=C(C=CC=C2)C1 PI-37165 [0,0,0,1,0,1|1,0,0]=3 1400 B11R2.10 Nc1nc2ccccc2o1 PI-17283 [0,0,0,1,0,1|1,0,1]=4 1401 B11R2.10 O=C1Cc2c(N1)cccc2 PI-11084 [0,0,0,1,0,1|0,0,2]=4 1402 B11R2.10 O=C1Cc2ccccc2O1 PI-18682 [0,0,0,1,0,1|0,0,2]=4 1403 B11R2.10 O=c1oc2ccccc2[nH]1 PI-11480 [0,0,0,1,0,1|1,0,1]=4 1404 B11R2.10 Oc1nc2ccccc2[nH]1 PI-16421 [0,0,0,1,0,1|1,0,1]=4 1405 B11R2.238 C1CC1Sc2ccccc2 PI-25166 [0,0,0,1,0,1|1,0,0]=3 1406 B11R2.34 BrC1=CC=C(C=C1)C2CC2 PI-40963 [0,1,0,1,0,0|1,0,0]=3 1407 B11R2.34 Clc1ccc(cc1)[C@@H]2OC2 PI-36332 [0,1,0,1,0,0|0,0,0]=2 1408 B11R2.1 B1(C2=CC=CC=C2CO1)O PI-25687 [0,1,0,1,0,0|1,0,0]=3 1409 B11R2.1 C1=CC2=NO[N+](=C2C=C1)[O-] PI-32324 [0,1,0,1,0,0|2,0,0]=4 1410 B11R2.1 C1=CC=C2C(=C1)C(=CO2)Br PI-17445 [0,1,0,1,0,0|1,0,1]=4 1411 B11R2.1 C1=CC=C2C(=C1)C(=CS2)O PI-14308 [0,1,0,1,0,0|0,0,2]=4 1412 B11R2.1 C1=CC=C2C(=C1)C(=NO2)N PI-14154 [0,1,0,1,0,0|1,0,1]=4 1413 B11R2.1 C1C(=O)C2=CC=CC=C2O1 PI-27871 [0,1,0,1,0,0|0,0,2]=4 1414 B11R2.1 C1C(=O)C2=CC=CC=C2O1 PI-33947 [0,1,0,1,0,0|0,0,2]=4 1415 B11R2.1 C1CC(=O)C2=CC=CC=C21 PI-12356 [0,1,0,1,0,0|0,0,2]=4 1416 B11R2.1 C1CC2=CC=CC=C2C1N PI-41308 [0,1,0,1,0,0|1,0,0]=3 1417 B11R2.1 CC1=CSC2=CC=CC=C12 PI-26140 [0,1,0,1,0,0|0,1,1]=4 1418 B11R2.1 CN1C2=CC=CC=C2N=N1 PI-17166 [0,1,0,1,0,0|2,0,0]=4 1419 B11R2.1 CN1C=NC2=CC=CC=C21 PI-11703 [0,1,0,1,0,0|2,0,0]=4 1420 B11R2.1 Cc1c[nH]c2c1cccc2 PI-10761 [0,1,0,1,0,0|1,0,1]=4 1421 B11R2.1 ClC1=NOC2=C1C=CC=C2 PI-15670 [0,1,0,1,0,0|1,0,1]=4 1422 B11R2.1 Cn1ccc2ccccc12 PI-11080 [0,1,0,1,0,0|2,0,0]=4 1423 B11R2.1 NC1CCC2=C1C=CC=C2 PI-40451 [0,1,0,1,0,0|1,0,0]=3 1424 B11R2.1 NC1CCc2ccccc12 PI-24340 [0,1,0,1,0,0|1,0,0]=3 1425 B11R2.1 N[C@@H]1CCc2ccccc12 PI-17002 [0,1,0,1,0,0|1,0,0]=3 1426 B11R2.1 O=C1C2=CC=CC=C2SC1 PI-42644 [0,1,0,1,0,0|0,0,2]=4 1427 B11R2.1 O=C1OCc2c1cccc2 PI-33738 [0,1,0,1,0,0|0,0,2]=4 1428 B11R2.1 On1nnc2ccccc12 PI-15275 [0,1,0,1,0,0|2,0,0]=4 1429 B11R2.1 On1nnc2ccccc12 PI-15359 [0,1,0,1,0,0|2,0,0]=4 1430 B11R2.40 CC1(CO1)C2=CC=CC=C2 PI-47223 [0,1,0,1,0,0|0,0,0]=2 1431 B11R2.239 C1C(CO1)C2=CC=CC=C2 PI-36427 [0,1,0,1,0,0|0,0,0]=2 1432 B11R2.988 OCC1C2=CC=CC=C2C1 PI-40936 [0,1,0,1,0,0|0,0,0]=2 1433 B11R2.35 C1C(O1)C2=CC(=CC=C2)Cl PI-35811 [0,1,0,1,0,0|0,0,0]=2 1434 B11R2.35 Clc1cccc(c1)[C@@H]2CO2 PI-10846 [0,1,0,1,0,0|0,0,0]=2 1435 B7R1.1 BrCc1cscc1 PI-14311 [1,0,0,0,1,0|2,0,0]=4 1436 B7R1.1 C1=C(NC=N1)CO PI-31940 [1,0,0,0,1,0|2,0,0]=4 1437 B7R1.1 C1=C(SC=N1)CO PI-12202 [1,0,0,0,1,0|2,0,0]=4 1438 B7R1.1 C1=COC(=C1)CS PI-48474 [1,0,0,0,1,0|1,1,0]=4 1439 B7R1.1 C1=CSC(=C1)CCl PI-50490 [1,0,0,0,1,0|2,0,0]=4 1440 B7R1.1 C1=CSC(=C1)CO PI-11151 [1,0,0,0,1,0|1,0,0]=3 1441 B7R1.1 C1=CSC=C1CN PI-31789 [1,0,0,0,1,0|2,0,0]=4 1442 B7R1.1 C1=N[NH]C=C1CO PI-39407 [1,0,0,0,1,0|2,0,0]=4 1443 B7R1.1 CCC1=CC=CS1 PI-10993 [1,0,0,0,1,0|1,0,0]=3 1444 B7R1.1 CCC1=CSC=C1 PI-35073 [1,0,0,0,1,0|1,0,0]=3 1445 B7R1.1 CCN1C=CC=C1 PI-12065 [1,0,0,0,1,0|1,0,0]=3 1446 B7R1.1 CCc1ncc[nH]1 PI-31817 [1,0,0,0,1,0|2,0,0]=4 1447 B7R1.1 CCn1cccn1 PI-35920 [1,0,0,0,1,0|2,0,0]=4 1448 B7R1.1 COc1cccs1 PI-33573 [1,0,0,0,1,0|2,0,0]=4 1449 B7R1.1 COc1cscc1 PI-27269 [1,0,0,0,1,0|2,0,0]=4 1450 B7R1.1 CSC1=CSC=C1 PI-29322 [1,0,0,0,1,0|2,0,0]=4 1451 B7R1.1 NCc1cccs1 PI-11152 [1,0,0,0,1,0|2,0,0]=4 1452 B7R1.1 OCC1=NC=CN1 PI-36879 [1,0,0,0,1,0|2,0,0]=4 1453 B7R1.1 OCc1c[nH]cn1 PI-27482 [1,0,0,0,1,0|2,0,0]=4 1454 B7R1.1 OCc1cnco1 PI-38536 [1,0,0,0,1,0|2,0,0]=4 1455 B7R1.1 OCc1cscc1 PI-29874 [1,0,0,0,1,0|1,0,0]=3 1456 B7R1.1 OCc1cscn1 PI-25015 [1,0,0,0,1,0|2,0,0]=4 1457 B7R1.1 OCc1nccs1 PI-38807 [1,0,0,0,1,0|2,0,0]=4 1458 B11R1.91 C1=CC=C(C=C1)NCC(=O)O PI-14870 [0,0,0,0,0,2|1,0,1]=4 1459 B11R1.91 C1=CC=C(C=C1)OCC(=O)O PI-32615 [0,0,0,0,0,2|1,0,1]=4 1460 B11R1.91 CC(=NNC1=CC=CC=C1)C PI-44567 [0,0,0,0,0,2|1,0,1]=4 1461 B11R1.91 CC(=O)NNc1ccccc1 PI-32317 [0,0,0,0,0,2|0,0,2]=4 1462 B11R1.91 CC(C)N=CC1=CC=CC=C1 PI-19838 [0,0,0,0,0,2|1,0,0]=3 1463 B11R1.91 CC(CCC1=CC=CC=C1)N PI-33450 [0,0,0,0,0,2|1,0,0]=3 1464 B11R1.91 CN(C)N=CC1=CC=CC=C1 PI-26056 [0,0,0,0,0,2|2,0,0]=4 1465 B11R1.91 C[C@@H](CCC1=CC=CC=C1)O PI-49833 [0,0,0,0,0,2|0,0,0]=2 1466 B11R1.91 C[C@H](CCC1=CC=CC=C1)O PI-49832 [0,0,0,0,0,2|0,0,0]=2 1467 B11R1.91 OB(O)CCc1ccccc1 PI-25460 [0,0,0,0,0,2|2,0,0]=4 1468 B11R1.91 OB(\C=C\c1ccccc1)O PI-25014 [0,0,0,0,0,2|2,0,0]=4 1469 B11R1.91 OC(=O)C#Cc1ccccc1 PI-28707 [0,0,0,0,0,2|1,0,1]=4