0 B10R1.61 B(C1=C(C=NC=C1)Cl)(O)O PI-25587 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.61 B(C1=C(N=CC=C1)Br)(O)O PI-25583 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.61 B(C1=CC=CC=C1N)(O)O PI-31530 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.61 C1=C(C(=NC=N1)N)C(=O)O PI-42082 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.61 C1=CC(=C(N=C1)Br)C(=O)N PI-34520 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.61 C1=CC(=C(N=C1)Br)C(=O)O PI-28439 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.61 C1=CC(=C(N=C1)Br)[N+](=O)[O-] PI-28253 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.61 C1=CC(=C(N=C1)Cl)C(=O)Cl PI-16729 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.61 C1=CC(=C(N=C1)Cl)C(=O)N PI-24027 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.61 C1=CC(=C(N=C1)N)[N+](=O)[O-] PI-10379 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.61 C1=CC(=C(N=C1)[N+](=O)[O-])O PI-10087 [0,0,0,0,0,0|2,0,1]=3 11 B10R1.61 C1=CC=C(C(=C1)C(=O)N)Br PI-20527 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.61 C1=CC=C(C(=C1)C(=O)N)Cl PI-23128 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.61 C1=CC=C(C(=C1)C(=O)N)F PI-27598 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.61 C1=CC=C(C(=C1)C(=O)O)I PI-18960 [0,0,0,0,0,0|1,0,0]=1 15 B10R1.61 C1=CC=C(C(=C1)C(=O)O)S PI-40146 [0,0,0,0,0,0|0,1,0]=1 16 B10R1.61 C1=CC=C(C(=C1)C(=O)[O-])F PI-28576 [0,0,0,0,0,0|1,0,1]=2 17 B10R1.61 C1=CC=C(C(=C1)C(=S)N)N PI-17294 [0,0,0,0,0,0|2,1,0]=3 18 B10R1.61 C1=CC=C(C(=C1)C(Cl)Cl)F PI-19438 [0,0,0,0,0,0|3,0,1]=4 19 B10R1.61 C1=CC=CC(=C1B(O)O)Br PI-39926 [0,0,0,0,0,0|2,0,1]=3 20 B10R1.61 C1=CN=C(C(=O)N1)C(=O)[NH-] PI-49791 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.61 C1=CN=CC(=C1Br)C(=O)O PI-42057 [0,0,0,0,0,0|2,0,0]=2 22 B10R1.61 C1=CN=CC(=C1C(=O)O)F PI-34435 [0,0,0,0,0,0|2,0,0]=2 23 B10R1.61 C1=CN=CC(=C1C(=O)O)N PI-33158 [0,0,0,0,0,0|2,0,0]=2 24 B10R1.61 C1=CN=CC(=C1N)[N+](=O)[O-] PI-16571 [0,0,0,0,0,0|3,0,1]=4 25 B10R1.61 C1=CNC(=S)C(=C1)C(=O)O PI-16712 [0,0,0,0,0,0|1,1,0]=2 26 B10R1.61 C1=CNC=C(C1=O)C(=O)O PI-32174 [0,0,0,0,0,0|1,0,1]=2 27 B10R1.61 C1=CNC=C(C1=O)[N+](=O)[O-] PI-12188 [0,0,0,0,0,0|2,0,2]=4 28 B10R1.61 C1=CNC=C(C1=O)[N+](=O)[O-] PI-16572 [0,0,0,0,0,0|2,0,2]=4 29 B10R1.61 CC(=O)C1=C(C=NC=C1)N PI-48174 [0,0,0,0,0,0|3,0,0]=3 30 B10R1.61 CC(=O)C1=CC=CC=C1Br PI-12211 [0,0,0,0,0,0|2,0,0]=2 31 B10R1.61 CC(=O)C1=CC=CC=C1Cl PI-11622 [0,0,0,0,0,0|2,0,0]=2 32 B10R1.61 CC(=O)C1=CC=CC=C1F PI-16975 [0,0,0,0,0,0|2,0,0]=2 33 B10R1.61 CC(=O)C1=CC=CC=C1N PI-29399 [0,0,0,0,0,0|2,0,0]=2 34 B10R1.61 CC(=O)c1ccccc1I PI-29345 [0,0,0,0,0,0|2,0,0]=2 35 B10R1.61 CC(=O)c1ccccc1N PI-11796 [0,0,0,0,0,0|2,0,0]=2 36 B10R1.61 CC(C)c1ccccc1S PI-17353 [0,0,0,0,0,0|2,1,1]=4 37 B10R1.61 CC(C1=CC=CC=C1Cl)O PI-32584 [0,0,0,0,0,0|2,0,1]=3 38 B10R1.61 CC(C1=CC=CC=C1F)O PI-32582 [0,0,0,0,0,0|2,0,1]=3 39 B10R1.61 CC(O)C1=CC=CC=C1N PI-46775 [0,0,0,0,0,0|2,0,1]=3 40 B10R1.61 CC(c1ccccc1Br)C PI-21543 [0,0,0,0,0,0|3,0,1]=4 41 B10R1.61 CC1=C(C=CN=C1)C(=O)O PI-48282 [0,0,0,0,0,0|2,0,0]=2 42 B10R1.61 CC1=C(C=NC=C1)C(=O)O PI-48296 [0,0,0,0,0,0|2,0,0]=2 43 B10R1.61 CC1=C(C=NC=C1)[N+](=O)[O-] PI-10377 [0,0,0,0,0,0|3,0,1]=4 44 B10R1.61 CC1=CC=CC=C1C(=O)C PI-12963 [0,0,0,0,0,0|2,0,0]=2 45 B10R1.61 CC1=CC=CC=C1C(=O)Cl PI-34221 [0,0,0,0,0,0|2,0,0]=2 46 B10R1.61 CC1=NC=CN=C1C(=O)C PI-11038 [0,0,0,0,0,0|4,0,0]=4 47 B10R1.61 C[C@@H](C1=CC=CC=C1Br)O PI-50016 [0,0,0,0,0,0|2,0,1]=3 48 B10R1.61 C[C@@H](C1=CC=CC=C1F)O PI-50014 [0,0,0,0,0,0|2,0,1]=3 49 B10R1.61 C[C@H](C1=CC=CC=C1Br)O PI-50015 [0,0,0,0,0,0|2,0,1]=3 50 B10R1.61 C[C@H](C1=CC=CC=C1F)O PI-50013 [0,0,0,0,0,0|2,0,1]=3 51 B10R1.61 ClC(=O)c1ccccc1F PI-11847 [0,0,0,0,0,0|2,0,0]=2 52 B10R1.61 FC(F)c1ccccc1Br PI-21634 [0,0,0,0,0,0|3,0,1]=4 53 B10R1.61 NC(=O)c1nccnc1N PI-38832 [0,0,0,0,0,0|4,0,0]=4 54 B10R1.61 NC(=O)c1nccnc1O PI-38271 [0,0,0,0,0,0|3,0,0]=3 55 B10R1.61 NC(=S)c1ccccc1Br PI-22612 [0,0,0,0,0,0|2,1,0]=3 56 B10R1.61 NC(C1=CC=CC=C1O)=S PI-20875 [0,0,0,0,0,0|1,1,0]=2 57 B10R1.61 O=C(C1=C(Cl)C=NC=C1)O PI-37397 [0,0,0,0,0,0|2,0,0]=2 58 B10R1.61 O=[N+](C1=C(Br)C=CN=C1)[O-] PI-37164 [0,0,0,0,0,0|3,0,1]=4 59 B10R1.61 O=[N+](C1=CC=CN=C1F)[O-] PI-37086 [0,0,0,0,0,0|3,0,1]=4 60 B10R1.61 OB(c1ccccc1C)O PI-10305 [0,0,0,0,0,0|2,0,1]=3 61 B10R1.61 OB(c1ccccc1F)O PI-28003 [0,0,0,0,0,0|2,0,1]=3 62 B10R1.61 OB(c1ccccc1O)O PI-37992 [0,0,0,0,0,0|1,0,1]=2 63 B10R1.61 OB(c1cccnc1Cl)O PI-25528 [0,0,0,0,0,0|3,0,1]=4 64 B10R1.61 OB(c1cccnc1F)O PI-25252 [0,0,0,0,0,0|3,0,1]=4 65 B10R1.61 OB(c1cnccc1C)O PI-25173 [0,0,0,0,0,0|3,0,1]=4 66 B10R1.61 OC(=O)c1ccccc1F PI-16976 [0,0,0,0,0,0|1,0,0]=1 67 B10R1.61 OC(=O)c1cccnc1Cl PI-31141 [0,0,0,0,0,0|2,0,0]=2 68 B10R1.61 OC(=O)c1cccnc1F PI-16387 [0,0,0,0,0,0|2,0,0]=2 69 B10R1.61 OC(=O)c1cccnc1N PI-31221 [0,0,0,0,0,0|2,0,0]=2 70 B10R1.61 OC(=O)c1cccnc1O PI-16700 [0,0,0,0,0,0|1,0,0]=1 71 B10R1.61 OC(=O)c1ccncc1Br PI-28140 [0,0,0,0,0,0|2,0,0]=2 72 B10R1.61 OC(=O)c1ccncc1I PI-38273 [0,0,0,0,0,0|2,0,0]=2 73 B10R1.61 OC(=O)c1ccncc1N PI-10177 [0,0,0,0,0,0|2,0,0]=2 74 B10R1.61 OC(=O)c1ccncc1O PI-28020 [0,0,0,0,0,0|1,0,0]=1 75 B10R1.61 OC(=O)c1cnccc1Cl PI-24019 [0,0,0,0,0,0|2,0,0]=2 76 B10R1.61 OC(=O)c1cnccc1N PI-10029 [0,0,0,0,0,0|2,0,0]=2 77 B10R1.61 OC(=O)c1ncccc1Br PI-28360 [0,0,0,0,0,0|2,0,0]=2 78 B10R1.61 OC(=O)c1ncccc1Cl PI-34714 [0,0,0,0,0,0|2,0,0]=2 79 B10R1.61 OC(=O)c1ncccc1F PI-34434 [0,0,0,0,0,0|2,0,0]=2 80 B10R1.61 OC(=O)c1ncccc1N PI-14129 [0,0,0,0,0,0|2,0,0]=2 81 B10R1.61 OC(=O)c1ncccc1O PI-16553 [0,0,0,0,0,0|1,0,0]=1 82 B10R1.61 OC(=O)c1nccnc1Cl PI-29423 [0,0,0,0,0,0|3,0,0]=3 83 B10R1.61 OC(=O)c1nccnc1O PI-29323 [0,0,0,0,0,0|2,0,0]=2 84 B10R1.61 SC1=CC=CC=C1B(O)O PI-40744 [0,0,0,0,0,0|1,1,1]=3 85 B10R1.61 [O-][N+](=O)c1ccccc1Cl PI-34106 [0,0,0,0,0,0|2,0,1]=3 86 B10R1.61 [O-][N+](=O)c1ccccc1F PI-33137 [0,0,0,0,0,0|2,0,1]=3 87 B10R1.61 [O-][N+](=O)c1ccccc1S PI-17367 [0,0,0,0,0,0|1,1,1]=3 88 B10R1.61 [O-][N+](=O)c1cccnc1C PI-31380 [0,0,0,0,0,0|3,0,1]=4 89 B10R1.61 [O-][N+](=O)c1cccnc1Cl PI-25662 [0,0,0,0,0,0|3,0,1]=4 90 B10R1.61 [O-][N+](=O)c1cccnc1O PI-10109 [0,0,0,0,0,0|2,0,1]=3 91 B10R1.61 [O-][N+](=O)c1cccnc1S PI-36518 [0,0,0,0,0,0|2,1,1]=4 92 B10R1.61 [O-][N+](=O)c1ccncc1Br PI-34857 [0,0,0,0,0,0|3,0,1]=4 93 B10R1.61 [O-][N+](=O)c1cnccc1Cl PI-16715 [0,0,0,0,0,0|3,0,1]=4 94 B10R1.61 [O-][N+](=O)c1cnccc1Cl PI-24477 [0,0,0,0,0,0|3,0,1]=4 95 B10R1.61 [O-][N+](=O)c1ncccc1Br PI-35802 [0,0,0,0,0,0|3,0,1]=4 96 B10R1.61 [O-][N+](=O)c1ncccc1N PI-16570 [0,0,0,0,0,0|3,0,1]=4 97 B9R1.6 B(C1=CN=CC=C1)(O)O PI-13311 [1,0,0,0,0,0|2,0,1]=4 98 B9R1.6 C1=C(C=NC=N1)C(=O)O PI-21348 [1,0,0,0,0,0|2,0,0]=3 99 B9R1.6 C1=CC(=CN=C1)C(=O)Cl PI-18307 [1,0,0,0,0,0|2,0,0]=3 100 B9R1.6 C1=CC(=CN=C1)C(=O)N PI-14591 [1,0,0,0,0,0|2,0,0]=3 101 B9R1.6 C1=CC(=CN=C1)C(=S)N PI-41116 [1,0,0,0,0,0|2,1,0]=4 102 B9R1.6 C1=CC(=NN=C1)C(=O)Cl PI-48417 [1,0,0,0,0,0|3,0,0]=4 103 B9R1.6 C1=CC=C(C=C1)C(=O)Br PI-46923 [1,0,0,0,0,0|1,0,0]=2 104 B9R1.6 C1=CC=NC(=C1)C(=O)Cl PI-36884 [1,0,0,0,0,0|2,0,0]=3 105 B9R1.6 C1=CC=NC(=C1)C(=O)O PI-44932 [1,0,0,0,0,0|1,0,0]=2 106 B9R1.6 C1=CN=CC=C1C(=N)N PI-17542 [1,0,0,0,0,0|3,0,0]=4 107 B9R1.6 C1=CN=CC=C1C(=N)N PI-36524 [1,0,0,0,0,0|3,0,0]=4 108 B9R1.6 C1=CN=CC=C1C(=O)Cl PI-29544 [1,0,0,0,0,0|2,0,0]=3 109 B9R1.6 C1=CN=CC=C1C(=O)N PI-46036 [1,0,0,0,0,0|2,0,0]=3 110 B9R1.6 C1=CN=CC=C1C(=S)N PI-41117 [1,0,0,0,0,0|2,1,0]=4 111 B9R1.6 C1=CN=NC=C1C(=O)O PI-32630 [1,0,0,0,0,0|2,0,0]=3 112 B9R1.6 C1=NC=CN=C1C(O)=O PI-14238 [1,0,0,0,0,0|2,0,0]=3 113 B9R1.6 CC(=O)C1=CC=CC=N1 PI-48516 [1,0,0,0,0,0|2,0,0]=3 114 B9R1.6 CC(=O)C1=CN=CN=C1 PI-40256 [1,0,0,0,0,0|3,0,0]=4 115 B9R1.6 CC(=O)C1=NC=CC=N1 PI-42079 [1,0,0,0,0,0|3,0,0]=4 116 B9R1.6 CC(=O)C1=NC=CN=C1 PI-16283 [1,0,0,0,0,0|3,0,0]=4 117 B9R1.6 CC(=O)c1cccnc1 PI-32250 [1,0,0,0,0,0|2,0,0]=3 118 B9R1.6 CC(=O)c1ccncc1 PI-38297 [1,0,0,0,0,0|2,0,0]=3 119 B9R1.6 CC(C1=CC=CC=C1)N PI-32638 [1,0,0,0,0,0|2,0,1]=4 120 B9R1.6 CN(C1=CC=CC=C1)N PI-29778 [1,0,0,0,0,0|3,0,0]=4 121 B9R1.6 C[C@@H](C1=CC=CC=C1)O PI-50011 [1,0,0,0,0,0|1,0,1]=3 122 B9R1.6 C[C@@H](C1=CC=NC=C1)O PI-49831 [1,0,0,0,0,0|2,0,1]=4 123 B9R1.6 C[C@@H](O)C1=NC=CC=C1 PI-42552 [1,0,0,0,0,0|2,0,1]=4 124 B9R1.6 C[C@@H](c1ccccc1)N PI-11219 [1,0,0,0,0,0|2,0,1]=4 125 B9R1.6 C[C@H](C1=CC=NC=C1)O PI-49830 [1,0,0,0,0,0|2,0,1]=4 126 B9R1.6 C[C@H](O)C1=NC=CC=C1 PI-42531 [1,0,0,0,0,0|2,0,1]=4 127 B9R1.6 C[C@H](c1ccccc1)N PI-11221 [1,0,0,0,0,0|2,0,1]=4 128 B9R1.6 C[C@H](c1ccccc1)O PI-38963 [1,0,0,0,0,0|1,0,1]=3 129 B9R1.6 C[SiH](c1ccccc1)C PI-39122 [1,0,0,0,0,0|2,1,0]=4 130 B9R1.6 N1=C(N=CC=C1)C(=O)O PI-36489 [1,0,0,0,0,0|2,0,0]=3 131 B9R1.6 N=C(C1=CC=CN=C1)N PI-36525 [1,0,0,0,0,0|3,0,0]=4 132 B9R1.6 N=C(N)C1=CN=CC=C1 PI-30891 [1,0,0,0,0,0|3,0,0]=4 133 B9R1.6 NC(=N)c1ccccc1 PI-30200 [1,0,0,0,0,0|2,0,0]=3 134 B9R1.6 NC(=N)c1ccccn1 PI-30669 [1,0,0,0,0,0|3,0,0]=4 135 B9R1.6 NC(=O)c1cccnc1 PI-12870 [1,0,0,0,0,0|2,0,0]=3 136 B9R1.6 NC(=S)c1ccccc1 PI-29356 [1,0,0,0,0,0|1,1,0]=3 137 B9R1.6 O=[N+](C1=CC=NC=C1)[O-] PI-46824 [1,0,0,0,0,0|2,0,1]=4 138 B9R1.6 OB(O)c1ccccc1 PI-16480 [1,0,0,0,0,0|1,0,1]=3 139 B9R1.6 OB(c1ccccn1)O PI-25302 [1,0,0,0,0,0|2,0,1]=4 140 B9R1.6 OB(c1ccncc1)O PI-16484 [1,0,0,0,0,0|2,0,1]=4 141 B9R1.6 OC(=O)c1cccnc1 PI-15824 [1,0,0,0,0,0|1,0,0]=2 142 B9R1.6 OC(=O)c1ccncn1 PI-32629 [1,0,0,0,0,0|2,0,0]=3 143 B9R1.6 [O-]C(=O)c1ccccn1 PI-27190 [1,0,0,0,0,0|1,0,1]=3 144 B9R1.15 BrC1=NC=CC=C1C=O PI-39999 [1,0,0,0,0,0|2,0,0]=3 145 B9R1.15 BrCc1ccccc1Br PI-11809 [1,0,0,0,0,0|2,0,1]=4 146 B9R1.15 BrCc1ccccc1I PI-29573 [1,0,0,0,0,0|2,0,1]=4 147 B9R1.15 C#CC1=CC=CC=C1Cl PI-30962 [1,0,0,0,0,0|2,0,1]=4 148 B9R1.15 C#CC1=CC=CC=C1F PI-30912 [1,0,0,0,0,0|2,0,1]=4 149 B9R1.15 C#Cc1ccccc1Br PI-30911 [1,0,0,0,0,0|2,0,1]=4 150 B9R1.15 C1=CC(=C(N=C1)C#N)O PI-31932 [1,0,0,0,0,0|2,0,1]=4 151 B9R1.15 C1=CC(=C(N=C1)C=O)O PI-20863 [1,0,0,0,0,0|1,0,0]=2 152 B9R1.15 C1=CC(=C(N=C1)CO)Br PI-44198 [1,0,0,0,0,0|2,0,1]=4 153 B9R1.15 C1=CC(=C(N=C1)CO)O PI-16743 [1,0,0,0,0,0|1,0,1]=3 154 B9R1.15 C1=CC(=C(N=C1)Cl)C=O PI-34991 [1,0,0,0,0,0|2,0,0]=3 155 B9R1.15 C1=CC(=C(N=C1)Cl)CO PI-33153 [1,0,0,0,0,0|2,0,1]=4 156 B9R1.15 C1=CC(=C(N=C1)F)C=O PI-39564 [1,0,0,0,0,0|2,0,0]=3 157 B9R1.15 C1=CC=C(C(=C1)C#N)I PI-10113 [1,0,0,0,0,0|2,0,1]=4 158 B9R1.15 C1=CC=C(C(=C1)C=O)Br PI-11807 [1,0,0,0,0,0|1,0,0]=2 159 B9R1.15 C1=CC=C(C(=C1)CBr)Cl PI-11821 [1,0,0,0,0,0|2,0,1]=4 160 B9R1.15 C1=CC=C(C(=C1)CBr)F PI-28536 [1,0,0,0,0,0|2,0,1]=4 161 B9R1.15 C1=CC=C(C(=C1)CCl)F PI-34128 [1,0,0,0,0,0|2,0,1]=4 162 B9R1.15 C1=CC=C(C(=C1)CN)Br PI-11810 [1,0,0,0,0,0|2,0,1]=4 163 B9R1.15 C1=CC=C(C(=C1)CN)Cl PI-11822 [1,0,0,0,0,0|2,0,1]=4 164 B9R1.15 C1=CC=C(C(=C1)CN)F PI-31326 [1,0,0,0,0,0|2,0,1]=4 165 B9R1.15 C1=CC=C(C(=C1)CO)Br PI-30250 [1,0,0,0,0,0|1,0,1]=3 166 B9R1.15 C1=CC=C(C(=C1)CO)Cl PI-23166 [1,0,0,0,0,0|1,0,1]=3 167 B9R1.15 C1=CC=C(C(=C1)CO)N PI-11798 [1,0,0,0,0,0|1,0,1]=3 168 B9R1.15 C1=CC=C(C(=C1)CS)Br PI-20548 [1,0,0,0,0,0|1,1,1]=4 169 B9R1.15 C1=CC=C(C(=C1)CS)Cl PI-11007 [1,0,0,0,0,0|1,1,1]=4 170 B9R1.15 C1=CC=C(C(=C1)NN)Br PI-11813 [1,0,0,0,0,0|3,0,0]=4 171 B9R1.15 C1=CC=C(C(=C1)NN)Cl PI-29581 [1,0,0,0,0,0|3,0,0]=4 172 B9R1.15 C1=CC=C(C(=C1)NN)F PI-16908 [1,0,0,0,0,0|3,0,0]=4 173 B9R1.15 C1=CC=C(C(=C1)NN)F PI-31140 [1,0,0,0,0,0|3,0,0]=4 174 B9R1.15 C1=CN=CC(=C1C=O)O PI-34863 [1,0,0,0,0,0|1,0,0]=2 175 B9R1.15 C1=CN=CC(=C1Cl)CO PI-34716 [1,0,0,0,0,0|2,0,1]=4 176 B9R1.15 C1=CN=CC(=C1N)C=O PI-14094 [1,0,0,0,0,0|2,0,0]=3 177 B9R1.15 C=CC1=CC=CC=C1Br PI-14519 [1,0,0,0,0,0|2,0,0]=3 178 B9R1.15 C=Cc1ccccc1F PI-33746 [1,0,0,0,0,0|2,0,0]=3 179 B9R1.15 CC1=CC=CC=C1C=O PI-27677 [1,0,0,0,0,0|1,0,0]=2 180 B9R1.15 CCC1=CC=CC=C1Br PI-19276 [1,0,0,0,0,0|2,0,1]=4 181 B9R1.15 CCC1=CC=CC=C1Cl PI-19970 [1,0,0,0,0,0|2,0,1]=4 182 B9R1.15 CCC1=CC=CC=C1I PI-19242 [1,0,0,0,0,0|2,0,1]=4 183 B9R1.15 CCc1ccccc1C PI-36541 [1,0,0,0,0,0|2,0,1]=4 184 B9R1.15 CNC1=CC=CC=C1F PI-28236 [1,0,0,0,0,0|3,0,0]=4 185 B9R1.15 CNC1=CC=CC=C1N PI-23401 [1,0,0,0,0,0|3,0,0]=4 186 B9R1.15 CNC1=CC=CC=C1N PI-28564 [1,0,0,0,0,0|3,0,0]=4 187 B9R1.15 COC1=CC=CC=C1Br PI-34200 [1,0,0,0,0,0|3,0,0]=4 188 B9R1.15 COC1=CC=CC=C1Cl PI-34199 [1,0,0,0,0,0|3,0,0]=4 189 B9R1.15 COC1=CC=CC=C1F PI-12348 [1,0,0,0,0,0|3,0,0]=4 190 B9R1.15 COC1=CC=CC=C1I PI-50209 [1,0,0,0,0,0|3,0,0]=4 191 B9R1.15 COc1ccccc1S PI-21364 [1,0,0,0,0,0|2,1,0]=4 192 B9R1.15 CSC1=CC=CC=C1Br PI-11815 [1,0,0,0,0,0|3,0,0]=4 193 B9R1.15 CSC1=CC=CC=C1Cl PI-11833 [1,0,0,0,0,0|3,0,0]=4 194 B9R1.15 CSC1=CC=CC=C1F PI-11849 [1,0,0,0,0,0|3,0,0]=4 195 B9R1.15 CSC1=CC=CC=C1O PI-20874 [1,0,0,0,0,0|2,0,0]=3 196 B9R1.15 CSc1ccccc1I PI-13705 [1,0,0,0,0,0|3,0,0]=4 197 B9R1.15 N#Cc1ccccc1Br PI-11808 [1,0,0,0,0,0|2,0,1]=4 198 B9R1.15 N#Cc1ccccc1Cl PI-34735 [1,0,0,0,0,0|2,0,1]=4 199 B9R1.15 N#Cc1ccccc1F PI-27555 [1,0,0,0,0,0|2,0,1]=4 200 B9R1.15 N#Cc1ccccc1N PI-11517 [1,0,0,0,0,0|2,0,1]=4 201 B9R1.15 N#Cc1ccccc1O PI-11836 [1,0,0,0,0,0|1,0,1]=3 202 B9R1.15 NCc1ccccc1Br PI-38543 [1,0,0,0,0,0|2,0,1]=4 203 B9R1.15 NNc1ccccc1C PI-29808 [1,0,0,0,0,0|3,0,0]=4 204 B9R1.15 O=CC1=C(Cl)C=CN=C1 PI-37019 [1,0,0,0,0,0|2,0,0]=3 205 B9R1.15 O=CC1=CC=CC=C1I PI-27403 [1,0,0,0,0,0|1,0,0]=2 206 B9R1.15 O=Cc1ccccc1Cl PI-34387 [1,0,0,0,0,0|1,0,0]=2 207 B9R1.15 O=Cc1ccccc1F PI-27600 [1,0,0,0,0,0|1,0,0]=2 208 B9R1.15 O=Cc1cccnc1N PI-15940 [1,0,0,0,0,0|2,0,0]=3 209 B9R1.15 O=Cc1cnccc1Br PI-36813 [1,0,0,0,0,0|2,0,0]=3 210 B9R1.15 OCc1ccccc1F PI-28537 [1,0,0,0,0,0|1,0,1]=3 211 B9R1.15 OCc1ccccc1O PI-36548 [1,0,0,0,0,0|0,0,1]=2 212 B9R1.15 OCc1cccnc1N PI-33953 [1,0,0,0,0,0|2,0,1]=4 213 B9R1.15 SCc1ccccc1F PI-23494 [1,0,0,0,0,0|1,1,1]=4 214 B9R1.15 [C-]#[N+]c1ccccc1Br PI-22495 [1,0,0,0,0,0|3,0,0]=4 215 B11R1.53 B(C1=C(N=CC=C1)OC)(O)O PI-25218 [0,1,0,0,0,0|2,0,1]=4 216 B11R1.53 B(C1=CC=CC=C1C=C)(O)O PI-25181 [0,1,0,0,0,0|2,0,1]=4 217 B11R1.53 B(C1=CC=CC=C1CBr)(O)O PI-14464 [0,1,0,0,0,0|2,0,1]=4 218 B11R1.53 B(C1=CC=CC=C1CC)(O)O PI-32999 [0,1,0,0,0,0|2,0,1]=4 219 B11R1.53 B(C1=CC=CC=C1CO)(O)O PI-25935 [0,1,0,0,0,0|1,0,1]=3 220 B11R1.53 BrCc1ccccc1[N+](=O)[O-] PI-12707 [0,1,0,0,0,0|2,0,1]=4 221 B11R1.53 C#CC1=CC=CC=C1C(=O)O PI-46516 [0,1,0,0,0,0|1,0,0]=2 222 B11R1.53 C#Cc1ccccc1[N+](=O)[O-] PI-38879 [0,1,0,0,0,0|2,0,1]=4 223 B11R1.53 C1=CC=C(C(=C1)C#N)C(=O)N PI-30209 [0,1,0,0,0,0|2,0,0]=3 224 B11R1.53 C1=CC=C(C(=C1)C#N)C(=O)O PI-10222 [0,1,0,0,0,0|1,0,0]=2 225 B11R1.53 C1=CC=C(C(=C1)CCl)C(=O)Cl PI-46932 [0,1,0,0,0,0|2,0,0]=3 226 B11R1.53 C1=CC=C(C(=C1)CN)[N+](=O)[O-] PI-26345 [0,1,0,0,0,0|2,0,1]=4 227 B11R1.53 C1=CC=C(C(=C1)NN)[N+](=O)[O-] PI-29797 [0,1,0,0,0,0|2,0,1]=4 228 B11R1.53 C1=CC=C(C(=C1)NN)[N+](=O)[O-] PI-50514 [0,1,0,0,0,0|2,0,1]=4 229 B11R1.53 C1=CC=CC(=C1CCl)C(O)=O PI-32625 [0,1,0,0,0,0|1,0,0]=2 230 B11R1.53 CC(=O)C1=CC=CC=C1C#N PI-30977 [0,1,0,0,0,0|2,0,0]=3 231 B11R1.53 CNC1=CC=CC=C1C(=O)N PI-30904 [0,1,0,0,0,0|2,0,0]=3 232 B11R1.53 CNC1=CC=CC=C1C(=O)O PI-50482 [0,1,0,0,0,0|1,0,0]=2 233 B11R1.53 COC1=C(C=CC=N1)[N+](=O)[O-] PI-40023 [0,1,0,0,0,0|2,0,1]=4 234 B11R1.53 COC1=C(C=CN=C1)C(=O)O PI-28728 [0,1,0,0,0,0|1,0,0]=2 235 B11R1.53 COC1=C(C=NC=C1)[N+](=O)[O-] PI-24318 [0,1,0,0,0,0|2,0,1]=4 236 B11R1.53 COC1=C(C=NC=C1)[N+](=O)[O-] PI-29475 [0,1,0,0,0,0|2,0,1]=4 237 B11R1.53 COC1=C(N=CC=C1)[N+](=O)[O-] PI-16711 [0,1,0,0,0,0|2,0,1]=4 238 B11R1.53 COC1=CC=CC=C1C(=O)N PI-30368 [0,1,0,0,0,0|1,0,0]=2 239 B11R1.53 COC1=NC=NC=C1C(=O)O PI-45147 [0,1,0,0,0,0|2,0,0]=3 240 B11R1.53 COc1ccccc1C(=O)C PI-12757 [0,1,0,0,0,0|1,0,0]=2 241 B11R1.53 COc1ccccc1C(=O)Cl PI-11858 [0,1,0,0,0,0|1,0,0]=2 242 B11R1.53 COc1ccncc1B(O)O PI-25481 [0,1,0,0,0,0|2,0,1]=4 243 B11R1.53 COc1ncccc1C(=O)O PI-16704 [0,1,0,0,0,0|1,0,0]=2 244 B11R1.53 CSC1=C(C=CC=N1)C(=O)Cl PI-30995 [0,1,0,0,0,0|2,1,0]=4 245 B11R1.53 CSC1=CC=CC=C1[N+](=O)[O-] PI-11877 [0,1,0,0,0,0|1,1,1]=4 246 B11R1.53 CSc1ccccc1B(O)O PI-11570 [0,1,0,0,0,0|1,1,1]=4 247 B11R1.53 N#Cc1ccccc1B(O)O PI-25137 [0,1,0,0,0,0|2,0,1]=4 248 B11R1.53 N#Cc1ccccc1[N+](=O)[O-] PI-11875 [0,1,0,0,0,0|2,0,1]=4 249 B11R1.53 NNc1ccccc1C(=O)O PI-18621 [0,1,0,0,0,0|1,0,0]=2 250 B11R1.53 NNc1ccccc1[N+](=O)[O-] PI-25422 [0,1,0,0,0,0|2,0,1]=4 251 B11R1.53 O=Cc1ccccc1B(O)O PI-16628 [0,1,0,0,0,0|1,0,2]=4 252 B11R1.53 O=Cc1ccccc1C(=O)O PI-36784 [0,1,0,0,0,0|0,0,1]=2 253 B11R1.53 O=Cc1ccccc1[N+](=O)[O-] PI-28637 [0,1,0,0,0,0|1,0,2]=4 254 B11R1.53 OCc1ccccc1[N+](=O)[O-] PI-11876 [0,1,0,0,0,0|1,0,1]=3 255 B11R1.87 Brc1ccccc1S(=O)(=O)Cl PI-14385 [0,1,0,0,0,0|2,0,1]=4 256 B11R1.87 C1=CC(=C(N=C1)S(=O)(=O)O)N PI-13182 [0,1,0,0,0,0|3,0,0]=4 257 B11R1.87 C1=CC=C(C(=C1)C(F)(F)F)O PI-16970 [0,1,0,0,0,0|2,0,1]=4 258 B11R1.87 C1=CC=C(C(=C1)F)S(=O)(=O)Cl PI-23452 [0,1,0,0,0,0|2,0,1]=4 259 B11R1.87 C1=CC=C(C(=C1)F)S(=O)(=O)N PI-23446 [0,1,0,0,0,0|2,0,1]=4 260 B11R1.87 C1=CC=C(C(=C1)S(=O)(=O)Cl)Cl PI-15668 [0,1,0,0,0,0|2,0,1]=4 261 B11R1.87 C1=CC=C(C(=C1)S(=O)(=O)N)Cl PI-23132 [0,1,0,0,0,0|2,0,1]=4 262 B11R1.87 C1=CC=C(C(=C1)S(=O)(=O)O)I PI-48829 [0,1,0,0,0,0|2,0,0]=3 263 B11R1.87 C1=CNC=C(C1=O)S(=O)(=O)O PI-16728 [0,1,0,0,0,0|2,0,1]=4 264 B11R1.87 CC(C)(C1=CC=CC=C1Br)O PI-48990 [0,1,0,0,0,0|2,0,1]=4 265 B11R1.87 CC1=CC=CC=C1S(=O)(=O)Cl PI-50626 [0,1,0,0,0,0|2,0,1]=4 266 B11R1.87 CP(C)(=O)C1=C(N)C=CC=C1 PI-42394 [0,1,0,0,0,0|3,0,0]=4 267 B11R1.87 C[Si](C)(C)C1=CC=CC=C1O PI-50096 [0,1,0,0,0,0|2,1,0]=4 268 B11R1.87 Ic1ccccc1S(=O)(=O)Cl PI-36530 [0,1,0,0,0,0|2,0,1]=4 269 B11R1.87 Nc1ccccc1S(=O)(=O)N PI-30481 [0,1,0,0,0,0|2,0,1]=4 270 B11R1.87 O=S(C1=CC=CC=C1Br)(N)=O PI-14384 [0,1,0,0,0,0|2,0,1]=4 271 B11R1.156 B(C1=C(C=CC=C1Br)F)(O)O PI-49956 [0,1,0,0,0,0|2,0,1]=4 272 B11R1.156 C1=C(C(=C(C=N1)Cl)C(=O)O)Cl PI-21048 [0,1,0,0,0,0|2,0,0]=3 273 B11R1.156 C1=CC(=C(C(=C1)Br)C(=O)O)N PI-36015 [0,1,0,0,0,0|1,0,0]=2 274 B11R1.156 C1=CC(=C(C(=C1)Cl)C(=O)Cl)Cl PI-11762 [0,1,0,0,0,0|2,0,0]=3 275 B11R1.156 C1=CC(=C(C(=C1)Cl)C(=O)Cl)F PI-30935 [0,1,0,0,0,0|2,0,0]=3 276 B11R1.156 C1=CC(=C(C(=C1)Cl)C(=O)N)Cl PI-33780 [0,1,0,0,0,0|2,0,0]=3 277 B11R1.156 C1=CC(=C(C(=C1)Cl)C(=O)N)F PI-28735 [0,1,0,0,0,0|2,0,0]=3 278 B11R1.156 C1=CC(=C(C(=C1)Cl)C(=O)O)F PI-16105 [0,1,0,0,0,0|1,0,0]=2 279 B11R1.156 C1=CC(=C(C(=C1)Cl)C(=O)O)N PI-10860 [0,1,0,0,0,0|1,0,0]=2 280 B11R1.156 C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])F PI-10480 [0,1,0,0,0,0|2,0,1]=4 281 B11R1.156 C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])N PI-29729 [0,1,0,0,0,0|2,0,1]=4 282 B11R1.156 C1=CC(=C(C(=C1)F)C(=O)Cl)F PI-32221 [0,1,0,0,0,0|2,0,0]=3 283 B11R1.156 C1=CC(=C(C(=C1)F)C(=O)N)F PI-16897 [0,1,0,0,0,0|2,0,0]=3 284 B11R1.156 C1=CC(=C(C(=C1)F)C(=O)N)N PI-15919 [0,1,0,0,0,0|2,0,0]=3 285 B11R1.156 C1=CC(=C(C(=C1)F)C(=O)O)O PI-34340 [0,1,0,0,0,0|0,0,0]=1 286 B11R1.156 C1=CC(=C(C(=C1)F)[N+](=O)[O-])F PI-10466 [0,1,0,0,0,0|2,0,1]=4 287 B11R1.156 C1=CC(=C(C(=C1)F)[N+](=O)[O-])O PI-29536 [0,1,0,0,0,0|1,0,1]=3 288 B11R1.156 C1=CC(=C(C(=C1)I)C(=O)O)F PI-34284 [0,1,0,0,0,0|1,0,0]=2 289 B11R1.156 C1=CC(=C(C(=C1)O)C(=O)N)O PI-30464 [0,1,0,0,0,0|1,0,0]=2 290 B11R1.156 C1=CC(=C(C(=C1)O)[N+](=O)[O-])O PI-16193 [0,1,0,0,0,0|1,0,1]=3 291 B11R1.156 CC(=O)c1c(Cl)cccc1Cl PI-20998 [0,1,0,0,0,0|2,0,0]=3 292 B11R1.156 CC(=O)c1c(F)cccc1Cl PI-20054 [0,1,0,0,0,0|2,0,0]=3 293 B11R1.156 CC(=O)c1c(F)cccc1F PI-31057 [0,1,0,0,0,0|2,0,0]=3 294 B11R1.156 CC(=O)c1c(O)cccc1O PI-11029 [0,1,0,0,0,0|1,0,0]=2 295 B11R1.156 CC1=C(C(=CC=C1)Br)[N+](=O)[O-] PI-22211 [0,1,0,0,0,0|2,0,1]=4 296 B11R1.156 CC1=C(C(=CC=C1)C)C(=O)C PI-30312 [0,1,0,0,0,0|2,0,0]=3 297 B11R1.156 CC1=C(C(=CC=C1)C)C(=O)O PI-27811 [0,1,0,0,0,0|1,0,0]=2 298 B11R1.156 CC1=C(C(=CC=C1)Cl)C(=O)N PI-30032 [0,1,0,0,0,0|2,0,0]=3 299 B11R1.156 CC1=C(C(=CC=C1)Cl)[N+](=O)[O-] PI-28920 [0,1,0,0,0,0|2,0,1]=4 300 B11R1.156 CC1=C(C(=CC=C1)N)[N+](=O)[O-] PI-32623 [0,1,0,0,0,0|2,0,1]=4 301 B11R1.156 CC1=C(C(=NC=N1)C)C(=O)O PI-35013 [0,1,0,0,0,0|3,0,0]=4 302 B11R1.156 ClC(=O)c1c(Cl)cccc1Br PI-20619 [0,1,0,0,0,0|2,0,0]=3 303 B11R1.156 O=C(C1=C(F)C=NC=C1F)O PI-39693 [0,1,0,0,0,0|2,0,0]=3 304 B11R1.156 OB(O)c1c(C)cccc1C PI-25020 [0,1,0,0,0,0|2,0,1]=4 305 B11R1.156 OB(O)c1c(Cl)cccc1Cl PI-35960 [0,1,0,0,0,0|2,0,1]=4 306 B11R1.156 OB(c1c(C)cccc1F)O PI-39214 [0,1,0,0,0,0|2,0,1]=4 307 B11R1.156 OB(c1c(F)cccc1Cl)O PI-39190 [0,1,0,0,0,0|2,0,1]=4 308 B11R1.156 OB(c1c(F)cccc1F)O PI-28192 [0,1,0,0,0,0|2,0,1]=4 309 B11R1.156 OC(=O)c1c(C)cccc1Cl PI-11820 [0,1,0,0,0,0|1,0,0]=2 310 B11R1.156 OC(=O)c1c(C)cccc1F PI-10193 [0,1,0,0,0,0|1,0,0]=2 311 B11R1.156 OC(=O)c1c(C)cccc1N PI-18553 [0,1,0,0,0,0|1,0,0]=2 312 B11R1.156 OC(=O)c1c(Cl)cccc1Br PI-20612 [0,1,0,0,0,0|1,0,0]=2 313 B11R1.156 OC(=O)c1c(Cl)cccc1Cl PI-14298 [0,1,0,0,0,0|1,0,0]=2 314 B11R1.156 OC(=O)c1c(Cl)ncnc1Cl PI-38834 [0,1,0,0,0,0|3,0,0]=4 315 B11R1.156 OC(=O)c1c(F)cccc1Br PI-10187 [0,1,0,0,0,0|1,0,0]=2 316 B11R1.156 OC(=O)c1c(F)cccc1F PI-31178 [0,1,0,0,0,0|1,0,0]=2 317 B11R1.156 OC(=O)c1c(N)cccc1F PI-16068 [0,1,0,0,0,0|1,0,0]=2 318 B11R1.156 OC(=O)c1c(N)cccc1I PI-36088 [0,1,0,0,0,0|1,0,0]=2 319 B11R1.156 OC(=O)c1c(O)cccc1O PI-32768 [0,1,0,0,0,0|0,0,0]=1 320 B11R1.156 [O-][N+](=O)c1c(C)cccc1F PI-38283 [0,1,0,0,0,0|2,0,1]=4 321 B11R1.156 [O-][N+](=O)c1c(C)cccc1O PI-28579 [0,1,0,0,0,0|1,0,1]=3 322 B11R1.156 [O-][N+](=O)c1c(N)cccc1Br PI-29872 [0,1,0,0,0,0|2,0,1]=4 323 B11R1.159 B(C1=C(C(=CC=C1)Cl)C)(O)O PI-19429 [0,1,0,0,0,0|2,0,1]=4 324 B11R1.159 B(C1=C(C(=CC=C1)Cl)Cl)(O)O PI-33003 [0,1,0,0,0,0|2,0,1]=4 325 B11R1.159 B(C1=C(C(=CC=C1)Cl)F)(O)O PI-25475 [0,1,0,0,0,0|2,0,1]=4 326 B11R1.159 B(C1=C(C(=CC=C1)F)Cl)(O)O PI-48731 [0,1,0,0,0,0|2,0,1]=4 327 B11R1.159 C1=CC(=C(C(=C1)Br)Cl)[N+](=O)[O-] PI-50751 [0,1,0,0,0,0|2,0,1]=4 328 B11R1.159 C1=CC(=C(C(=C1)Br)N)C(=O)O PI-27326 [0,1,0,0,0,0|1,0,0]=2 329 B11R1.159 C1=CC(=C(C(=C1)Br)N)[N+](=O)[O-] PI-50063 [0,1,0,0,0,0|2,0,1]=4 330 B11R1.159 C1=CC(=C(C(=C1)Cl)Cl)C(=O)Cl PI-11727 [0,1,0,0,0,0|2,0,0]=3 331 B11R1.159 C1=CC(=C(C(=C1)Cl)Cl)C(=S)N PI-30957 [0,1,0,0,0,0|2,1,0]=4 332 B11R1.159 C1=CC(=C(C(=C1)Cl)F)C(=O)Cl PI-20070 [0,1,0,0,0,0|2,0,0]=3 333 B11R1.159 C1=CC(=C(C(=C1)Cl)F)C(=O)O PI-16070 [0,1,0,0,0,0|1,0,0]=2 334 B11R1.159 C1=CC(=C(C(=C1)Cl)F)[N+](=O)[O-] PI-20103 [0,1,0,0,0,0|2,0,1]=4 335 B11R1.159 C1=CC(=C(C(=C1)Cl)N)[N+](=O)[O-] PI-29914 [0,1,0,0,0,0|2,0,1]=4 336 B11R1.159 C1=CC(=C(C(=C1)Cl)O)[N+](=O)[O-] PI-28675 [0,1,0,0,0,0|1,0,1]=3 337 B11R1.159 C1=CC(=C(C(=C1)F)Cl)C(=O)O PI-18055 [0,1,0,0,0,0|1,0,0]=2 338 B11R1.159 C1=CC(=C(C(=C1)F)Cl)[N+](=O)[O-] PI-28271 [0,1,0,0,0,0|2,0,1]=4 339 B11R1.159 C1=CC(=C(C(=C1)F)F)C(=O)Cl PI-21145 [0,1,0,0,0,0|2,0,0]=3 340 B11R1.159 C1=CC(=C(C(=C1)F)F)C(=O)N PI-21125 [0,1,0,0,0,0|2,0,0]=3 341 B11R1.159 C1=CC(=C(C(=C1)F)F)C(=O)O PI-10290 [0,1,0,0,0,0|1,0,0]=2 342 B11R1.159 C1=CC(=C(C(=C1)F)F)[N+](=O)[O-] PI-28760 [0,1,0,0,0,0|2,0,1]=4 343 B11R1.159 C1=CC(=C(C(=C1)F)I)[N+](=O)[O-] PI-10726 [0,1,0,0,0,0|2,0,1]=4 344 B11R1.159 C1=CC(=C(C(=C1)F)N)C(=O)O PI-10452 [0,1,0,0,0,0|1,0,0]=2 345 B11R1.159 C1=CC(=C(C(=C1)F)O)[N+](=O)[O-] PI-28174 [0,1,0,0,0,0|1,0,1]=3 346 B11R1.159 C1=CC(=C(C(=C1)N)F)C(=O)O PI-34457 [0,1,0,0,0,0|1,0,0]=2 347 B11R1.159 C1=CC(=C(C(=C1)N)N)C(=O)N PI-48121 [0,1,0,0,0,0|2,0,0]=3 348 B11R1.159 C1=CC(=C(C(=C1)N)N)C(=O)O PI-39985 [0,1,0,0,0,0|1,0,0]=2 349 B11R1.159 C1=CC(=C(C(=C1)N)O)C(=O)O PI-14096 [0,1,0,0,0,0|0,0,0]=1 350 B11R1.159 C1=CC(=C(C(=C1)O)Cl)[N+](=O)[O-] PI-34746 [0,1,0,0,0,0|2,0,1]=4 351 B11R1.159 C1=CC(=C(C(=C1)O)F)[N+](=O)[O-] PI-34808 [0,1,0,0,0,0|2,0,1]=4 352 B11R1.159 C1=CC(=C(C(=C1)O)N)[N+](=O)[O-] PI-11463 [0,1,0,0,0,0|2,0,1]=4 353 B11R1.159 C1=CC(=C(C(=C1)O)O)C(=O)O PI-16110 [0,1,0,0,0,0|0,0,0]=1 354 B11R1.159 CC(=O)C1=C(C(=CC=C1)Cl)Cl PI-20997 [0,1,0,0,0,0|2,0,0]=3 355 B11R1.159 CC(=O)C1=C(C(=CC=C1)N)O PI-10229 [0,1,0,0,0,0|1,0,0]=2 356 B11R1.159 CC(=O)C1=C(C(=CC=C1)O)O PI-30124 [0,1,0,0,0,0|1,0,0]=2 357 B11R1.159 CC(=O)c1cccc(Br)c1F PI-34270 [0,1,0,0,0,0|2,0,0]=3 358 B11R1.159 CC(=O)c1cccc(c1F)F PI-21122 [0,1,0,0,0,0|2,0,0]=3 359 B11R1.159 CC(=O)c1cccc(c1O)N PI-39350 [0,1,0,0,0,0|1,0,0]=2 360 B11R1.159 CC(C1=CC=CC(Br)=C1O)=O PI-41897 [0,1,0,0,0,0|1,0,0]=2 361 B11R1.159 CC(C1=CC=CC(Cl)=C1O)=O PI-29482 [0,1,0,0,0,0|1,0,0]=2 362 B11R1.159 CC1=C(C(=CC=C1)C(=O)C)C PI-30311 [0,1,0,0,0,0|2,0,0]=3 363 B11R1.159 CC1=C(C(=CC=C1)C(=O)Cl)C PI-21939 [0,1,0,0,0,0|2,0,0]=3 364 B11R1.159 CC1=C(C(=CC=C1)C(=O)O)C PI-27770 [0,1,0,0,0,0|1,0,0]=2 365 B11R1.159 CC1=C(C(=CC=C1)C(=O)O)Cl PI-31520 [0,1,0,0,0,0|1,0,0]=2 366 B11R1.159 CC1=C(C(=CC=C1)C(=O)O)F PI-10191 [0,1,0,0,0,0|1,0,0]=2 367 B11R1.159 CC1=C(C(=CC=C1)C(=O)O)N PI-10074 [0,1,0,0,0,0|1,0,0]=2 368 B11R1.159 CC1=C(C(=CC=C1)[N+](=O)[O-])O PI-28104 [0,1,0,0,0,0|1,0,1]=3 369 B11R1.159 CC1=C(C=CC=C1Br)C(=O)O PI-22125 [0,1,0,0,0,0|1,0,0]=2 370 B11R1.159 CC1=C(C=CC=C1Br)[N+](=O)[O-] PI-26737 [0,1,0,0,0,0|2,0,1]=4 371 B11R1.159 CC1=C(C=CC=C1Cl)[N+](=O)[O-] PI-34382 [0,1,0,0,0,0|2,0,1]=4 372 B11R1.159 CC1=C(C=CC=C1O)C(=O)O PI-11926 [0,1,0,0,0,0|1,0,0]=2 373 B11R1.159 CC1=C(C=CC=C1O)[N+](=O)[O-] PI-31225 [0,1,0,0,0,0|2,0,1]=4 374 B11R1.159 CC1=C(C=CC=C1[N+](=O)[O-])N PI-31240 [0,1,0,0,0,0|2,0,1]=4 375 B11R1.159 CC1=C(N=CN=C1Cl)C(=O)O PI-36441 [0,1,0,0,0,0|3,0,0]=4 376 B11R1.159 ClC(=O)c1cccc(c1C)Br PI-39385 [0,1,0,0,0,0|2,0,0]=3 377 B11R1.159 ClC1=NC=CC(=C1F)C(=O)O PI-34444 [0,1,0,0,0,0|2,0,0]=3 378 B11R1.159 Fc1cccc(B(O)O)c1F PI-28087 [0,1,0,0,0,0|2,0,1]=4 379 B11R1.159 NC(=O)c1cccc(c1F)Cl PI-30045 [0,1,0,0,0,0|2,0,0]=3 380 B11R1.159 O=C(N)C1=CC=CC(C)=C1C PI-30715 [0,1,0,0,0,0|2,0,0]=3 381 B11R1.159 O=C(O)C1=CC=CC(N)=C1C PI-16107 [0,1,0,0,0,0|1,0,0]=2 382 B11R1.159 O=C(O)C1=CC=NC(Br)=C1F PI-39723 [0,1,0,0,0,0|2,0,0]=3 383 B11R1.159 OB(C1=CC=CC(C)=C1C)O PI-25274 [0,1,0,0,0,0|2,0,1]=4 384 B11R1.159 OB(c1cccc(c1C)F)O PI-19177 [0,1,0,0,0,0|2,0,1]=4 385 B11R1.159 OC(=O)c1cccc(C)c1Br PI-22122 [0,1,0,0,0,0|1,0,0]=2 386 B11R1.159 OC(=O)c1cccc(Cl)c1N PI-10209 [0,1,0,0,0,0|1,0,0]=2 387 B11R1.159 OC(=O)c1cccc(F)c1C PI-10192 [0,1,0,0,0,0|1,0,0]=2 388 B11R1.159 OC(=O)c1cccc(I)c1N PI-35980 [0,1,0,0,0,0|1,0,0]=2 389 B11R1.159 OC(=O)c1cccc(O)c1N PI-30706 [0,1,0,0,0,0|1,0,0]=2 390 B11R1.159 OC(=O)c1cccc(c1Br)F PI-10189 [0,1,0,0,0,0|1,0,0]=2 391 B11R1.159 OC(=O)c1cccc(c1F)Br PI-10188 [0,1,0,0,0,0|1,0,0]=2 392 B11R1.159 OC(=O)c1cccc(c1O)F PI-23590 [0,1,0,0,0,0|0,0,0]=1 393 B11R1.159 OC(=O)c1ccnc(c1N)Cl PI-38953 [0,1,0,0,0,0|2,0,0]=3 394 B11R1.159 [O-][N+](=O)c1cccc(C)c1F PI-10679 [0,1,0,0,0,0|2,0,1]=4 395 B11R1.159 [O-][N+](=O)c1cccc(F)c1C PI-32534 [0,1,0,0,0,0|2,0,1]=4 396 B11R1.159 [O-][N+](=O)c1cccc(F)c1N PI-29258 [0,1,0,0,0,0|2,0,1]=4 397 B11R1.159 [O-][N+](=O)c1cccc(O)c1Br PI-33349 [0,1,0,0,0,0|2,0,1]=4 398 B11R1.159 [O-][N+](=O)c1cccc(c1Br)C PI-26622 [0,1,0,0,0,0|2,0,1]=4 399 B11R1.159 [O-][N+](=O)c1cccc(c1Br)F PI-10720 [0,1,0,0,0,0|2,0,1]=4 400 B11R1.159 [O-][N+](=O)c1cccc(c1Cl)C PI-27556 [0,1,0,0,0,0|2,0,1]=4 401 B11R1.159 [O-][N+](=O)c1cccc(c1F)Br PI-35228 [0,1,0,0,0,0|2,0,1]=4 402 B11R1.159 [O-][N+](=O)c1cccc(c1N)C PI-27717 [0,1,0,0,0,0|2,0,1]=4 403 B11R1.159 [O-][N+](=O)c1cccc(c1N)N PI-30539 [0,1,0,0,0,0|2,0,1]=4 404 B11R1.159 [O-][N+](=O)c1cccc(c1O)Br PI-27135 [0,1,0,0,0,0|1,0,1]=3 405 B11R1.166 B(C1=C(C=C(C=C1)Br)F)(O)O PI-14426 [0,1,0,0,0,0|2,0,1]=4 406 B11R1.166 B(C1=C(C=C(C=C1)C)C)(O)O PI-25669 [0,1,0,0,0,0|2,0,1]=4 407 B11R1.166 B(C1=C(C=C(C=C1)C)Cl)(O)O PI-19135 [0,1,0,0,0,0|2,0,1]=4 408 B11R1.166 B(C1=C(C=C(C=C1)Cl)C)(O)O PI-19305 [0,1,0,0,0,0|2,0,1]=4 409 B11R1.166 B(C1=C(C=C(C=C1)F)C)(O)O PI-23765 [0,1,0,0,0,0|2,0,1]=4 410 B11R1.166 B(C1=C(C=C(C=C1)F)Cl)(O)O PI-10412 [0,1,0,0,0,0|2,0,1]=4 411 B11R1.166 B(C1=C(C=C(C=C1)I)F)(O)O PI-16841 [0,1,0,0,0,0|2,0,1]=4 412 B11R1.166 Brc1ccc(C(=O)C)c(F)c1 PI-30799 [0,1,0,0,0,0|2,0,0]=3 413 B11R1.166 Brc1ccc(C(=O)O)c(F)c1 PI-16060 [0,1,0,0,0,0|1,0,0]=2 414 B11R1.166 Brc1ccc([N+](=O)[O-])c(F)c1 PI-10417 [0,1,0,0,0,0|2,0,1]=4 415 B11R1.166 Brc1ccc(c(c1)N)[N+](=O)[O-] PI-39432 [0,1,0,0,0,0|2,0,1]=4 416 B11R1.166 C1=CC(=C(C=C1Br)Cl)C(=O)O PI-28671 [0,1,0,0,0,0|1,0,0]=2 417 B11R1.166 C1=CC(=C(C=C1Br)N)C(=O)O PI-18326 [0,1,0,0,0,0|1,0,0]=2 418 B11R1.166 C1=CC(=C(C=C1Br)O)C(=O)O PI-21374 [0,1,0,0,0,0|0,0,0]=1 419 B11R1.166 C1=CC(=C(C=C1Cl)Cl)C(=O)N PI-30371 [0,1,0,0,0,0|2,0,0]=3 420 B11R1.166 C1=CC(=C(C=C1Cl)F)C(=O)Cl PI-11845 [0,1,0,0,0,0|2,0,0]=3 421 B11R1.166 C1=CC(=C(C=C1Cl)N)C(=O)N PI-35500 [0,1,0,0,0,0|2,0,0]=3 422 B11R1.166 C1=CC(=C(C=C1Cl)N)[N+](=O)[O-] PI-11297 [0,1,0,0,0,0|2,0,1]=4 423 B11R1.166 C1=CC(=C(C=C1Cl)O)C(=O)O PI-33938 [0,1,0,0,0,0|0,0,0]=1 424 B11R1.166 C1=CC(=C(C=C1Cl)O)[N+](=O)[O-] PI-37794 [0,1,0,0,0,0|1,0,1]=3 425 B11R1.166 C1=CC(=C(C=C1F)Br)C(=O)O PI-16061 [0,1,0,0,0,0|1,0,0]=2 426 B11R1.166 C1=CC(=C(C=C1F)Cl)C(=O)Cl PI-20069 [0,1,0,0,0,0|2,0,0]=3 427 B11R1.166 C1=CC(=C(C=C1F)Cl)C(=O)N PI-20057 [0,1,0,0,0,0|2,0,0]=3 428 B11R1.166 C1=CC(=C(C=C1F)Cl)C(=O)O PI-16103 [0,1,0,0,0,0|1,0,0]=2 429 B11R1.166 C1=CC(=C(C=C1F)F)C(=O)Cl PI-14894 [0,1,0,0,0,0|2,0,0]=3 430 B11R1.166 C1=CC(=C(C=C1F)F)C(=O)N PI-31316 [0,1,0,0,0,0|2,0,0]=3 431 B11R1.166 C1=CC(=C(C=C1F)I)C(=O)O PI-34280 [0,1,0,0,0,0|1,0,0]=2 432 B11R1.166 C1=CC(=C(C=C1F)O)[N+](=O)[O-] PI-16979 [0,1,0,0,0,0|1,0,1]=3 433 B11R1.166 C1=CC(=C(C=C1N)Cl)C(=O)O PI-10541 [0,1,0,0,0,0|1,0,0]=2 434 B11R1.166 C1=CC(=C(C=C1N)Cl)[N+](=O)[O-] PI-26933 [0,1,0,0,0,0|2,0,1]=4 435 B11R1.166 C1=CC(=C(C=C1N)F)C(=O)O PI-27599 [0,1,0,0,0,0|1,0,0]=2 436 B11R1.166 C1=CC(=C(C=C1O)Cl)[N+](=O)[O-] PI-35943 [0,1,0,0,0,0|2,0,1]=4 437 B11R1.166 C1=CC(=C(C=C1O)F)C(=O)O PI-28723 [0,1,0,0,0,0|1,0,0]=2 438 B11R1.166 C1=CC(=CC(=C1C(O)=O)Br)Br PI-41212 [0,1,0,0,0,0|1,0,0]=2 439 B11R1.166 CC(=O)C1=C(C=C(C=C1)Br)O PI-43291 [0,1,0,0,0,0|1,0,0]=2 440 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)Br PI-20599 [0,1,0,0,0,0|2,0,0]=3 441 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)Cl PI-33128 [0,1,0,0,0,0|2,0,0]=3 442 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)O PI-30853 [0,1,0,0,0,0|1,0,0]=2 443 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)Br PI-14425 [0,1,0,0,0,0|2,0,0]=3 444 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)Cl PI-28768 [0,1,0,0,0,0|2,0,0]=3 445 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)F PI-16939 [0,1,0,0,0,0|2,0,0]=3 446 B11R1.166 CC(=O)C1=C(C=C(C=C1)N)O PI-42987 [0,1,0,0,0,0|1,0,0]=2 447 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)Cl PI-12994 [0,1,0,0,0,0|2,0,0]=3 448 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)F PI-16148 [0,1,0,0,0,0|2,0,0]=3 449 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)N PI-30973 [0,1,0,0,0,0|2,0,0]=3 450 B11R1.166 CC(C1=CC=C(F)C=C1O)=O PI-23585 [0,1,0,0,0,0|1,0,0]=2 451 B11R1.166 CC1=C(C=CC(=C1)Br)C(=O)Cl PI-39384 [0,1,0,0,0,0|2,0,0]=3 452 B11R1.166 CC1=C(C=CC(=C1)Cl)[N+](=O)[O-] PI-26718 [0,1,0,0,0,0|2,0,1]=4 453 B11R1.166 CC1=C(C=CC(=C1)F)C(=O)O PI-10190 [0,1,0,0,0,0|1,0,0]=2 454 B11R1.166 CC1=C(C=CC(=C1)N)[N+](=O)[O-] PI-26795 [0,1,0,0,0,0|2,0,1]=4 455 B11R1.166 CC1=C(C=CC(=C1)O)C(=O)C PI-12264 [0,1,0,0,0,0|2,0,0]=3 456 B11R1.166 CC1=C(C=CC(=C1)O)[N+](=O)[O-] PI-12007 [0,1,0,0,0,0|2,0,1]=4 457 B11R1.166 CC1=CC(=C(C=C1)C(=O)C)C PI-11718 [0,1,0,0,0,0|2,0,0]=3 458 B11R1.166 CC1=CC(=C(C=C1)C(=O)N)O PI-28583 [0,1,0,0,0,0|1,0,0]=2 459 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)C PI-16114 [0,1,0,0,0,0|1,0,0]=2 460 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)F PI-18894 [0,1,0,0,0,0|1,0,0]=2 461 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)O PI-15312 [0,1,0,0,0,0|0,0,0]=1 462 B11R1.166 CC1=CC(=C(C=C1)[N+](=O)[O-])Cl PI-16550 [0,1,0,0,0,0|2,0,1]=4 463 B11R1.166 CC1=CC(=C(C=C1)[N+](=O)[O-])F PI-10269 [0,1,0,0,0,0|2,0,1]=4 464 B11R1.166 CC1=CC(=C(C=C1)[N+](=O)[O-])I PI-19675 [0,1,0,0,0,0|2,0,1]=4 465 B11R1.166 CC1=CC(=C(C=C1)[N+](=O)[O-])N PI-26762 [0,1,0,0,0,0|2,0,1]=4 466 B11R1.166 CC1=CC(=C(C=C1)[N+](=O)[O-])O PI-28770 [0,1,0,0,0,0|1,0,1]=3 467 B11R1.166 CC1=CC(=O)C(=CN1)C(=O)O PI-13132 [0,1,0,0,0,0|1,0,1]=3 468 B11R1.166 CC1=CC=C(C(=O)N1)C(=O)O PI-18513 [0,1,0,0,0,0|1,0,1]=3 469 B11R1.166 Cc1ccc(C(=O)O)c(Cl)n1 PI-16720 [0,1,0,0,0,0|2,0,0]=3 470 B11R1.166 Cc1ccc(c(c1)Br)C(=O)O PI-22123 [0,1,0,0,0,0|1,0,0]=2 471 B11R1.166 Cc1ccc(c(c1)F)B(O)O PI-25239 [0,1,0,0,0,0|2,0,1]=4 472 B11R1.166 Cc1ccc(c(c1)N)C(=O)N PI-30565 [0,1,0,0,0,0|2,0,0]=3 473 B11R1.166 Cc1ccc(c(c1)N)C(=O)O PI-34285 [0,1,0,0,0,0|1,0,0]=2 474 B11R1.166 Cc1ccc(c(c1)O)C(=O)C PI-29847 [0,1,0,0,0,0|1,0,0]=2 475 B11R1.166 ClC1=C(C(=O)O)C=CC(=N1)Cl PI-31177 [0,1,0,0,0,0|2,0,0]=3 476 B11R1.166 Clc1ccc(B(O)O)c(F)c1 PI-25209 [0,1,0,0,0,0|2,0,1]=4 477 B11R1.166 Clc1ccc(C(=O)O)c(F)c1 PI-16109 [0,1,0,0,0,0|1,0,0]=2 478 B11R1.166 Clc1ccc(C(=O)O)c(N)c1 PI-14296 [0,1,0,0,0,0|1,0,0]=2 479 B11R1.166 Clc1ccc(C(=S)N)c(Cl)c1 PI-30416 [0,1,0,0,0,0|2,1,0]=4 480 B11R1.166 Clc1ccc(c(c1)Br)C(=O)O PI-20610 [0,1,0,0,0,0|1,0,0]=2 481 B11R1.166 Clc1ccc(c(c1)Cl)B(O)O PI-11579 [0,1,0,0,0,0|2,0,1]=4 482 B11R1.166 Clc1ccc(c(c1)F)[N+](=O)[O-] PI-28769 [0,1,0,0,0,0|2,0,1]=4 483 B11R1.166 Clc1cnc(c(c1)Cl)C(=O)O PI-16047 [0,1,0,0,0,0|2,0,0]=3 484 B11R1.166 Fc1ccc(B(O)O)c(F)c1 PI-28150 [0,1,0,0,0,0|2,0,1]=4 485 B11R1.166 Fc1ccc(C(=O)O)c(F)c1 PI-10195 [0,1,0,0,0,0|1,0,0]=2 486 B11R1.166 Fc1ccc(C(=O)O)c(N)c1 PI-16067 [0,1,0,0,0,0|1,0,0]=2 487 B11R1.166 Fc1ccc(C(=O)O)c(O)c1 PI-34804 [0,1,0,0,0,0|0,0,0]=1 488 B11R1.166 Fc1ccc([N+](=O)[O-])c(Br)c1 PI-34343 [0,1,0,0,0,0|2,0,1]=4 489 B11R1.166 Fc1ccc(c(c1)C)[N+](=O)[O-] PI-16978 [0,1,0,0,0,0|2,0,1]=4 490 B11R1.166 Fc1ccc(c(c1)Cl)[N+](=O)[O-] PI-10433 [0,1,0,0,0,0|2,0,1]=4 491 B11R1.166 Fc1ccc(c(c1)F)[N+](=O)[O-] PI-15216 [0,1,0,0,0,0|2,0,1]=4 492 B11R1.166 Fc1cnc(c(c1)F)C(=O)O PI-38255 [0,1,0,0,0,0|2,0,0]=3 493 B11R1.166 Ic1ccc(C(=O)O)c(N)c1 PI-35979 [0,1,0,0,0,0|1,0,0]=2 494 B11R1.166 Ic1ccc(c(c1)O)C(=O)C PI-30931 [0,1,0,0,0,0|1,0,0]=2 495 B11R1.166 Nc1ccc(c(c1)C)C(=O)O PI-38300 [0,1,0,0,0,0|1,0,0]=2 496 B11R1.166 Nc1ccc(c(c1)F)[N+](=O)[O-] PI-29376 [0,1,0,0,0,0|2,0,1]=4 497 B11R1.166 Nc1ccc(c(c1)N)[N+](=O)[O-] PI-11302 [0,1,0,0,0,0|2,0,1]=4 498 B11R1.166 O=C(O)C1=C(C)N=C(C)C=C1 PI-37311 [0,1,0,0,0,0|2,0,0]=3 499 B11R1.166 O=C(O)C1=CC=C(Br)C=C1I PI-41942 [0,1,0,0,0,0|1,0,0]=2 500 B11R1.166 OC(=O)c1cnc(cc1Cl)Cl PI-38189 [0,1,0,0,0,0|2,0,0]=3 501 B11R1.166 OC1=CC=C(C(C)C)C(O)=C1 PI-40893 [0,1,0,0,0,0|2,0,1]=4 502 B11R1.166 Oc1ccc(C(=O)C)c(O)c1 PI-15410 [0,1,0,0,0,0|1,0,0]=2 503 B11R1.166 Oc1ccc(C(=O)O)c(Cl)c1 PI-18689 [0,1,0,0,0,0|1,0,0]=2 504 B11R1.166 Oc1ccc(c(c1)C)B(O)O PI-19648 [0,1,0,0,0,0|2,0,1]=4 505 B11R1.166 Oc1ccc(c(c1)F)[N+](=O)[O-] PI-16955 [0,1,0,0,0,0|2,0,1]=4 506 B11R1.166 Oc1ccc(c(c1)O)C(=O)N PI-10047 [0,1,0,0,0,0|1,0,0]=2 507 B11R1.167 B(C1=C(C=CC(=C1)Cl)C)(O)O PI-19142 [0,1,0,0,0,0|2,0,1]=4 508 B11R1.167 B(C1=C(C=CC(=C1)F)C)(O)O PI-25223 [0,1,0,0,0,0|2,0,1]=4 509 B11R1.167 B(C1=C(C=CC(=C1)F)Cl)(O)O PI-40463 [0,1,0,0,0,0|2,0,1]=4 510 B11R1.167 B(C1=C(C=CC(=C1)F)F)(O)O PI-28247 [0,1,0,0,0,0|2,0,1]=4 511 B11R1.167 B(C1=C(C=CC(=C1)O)F)(O)O PI-49982 [0,1,0,0,0,0|2,0,1]=4 512 B11R1.167 Brc1ccc(Cl)c(c1)C(=O)Cl PI-20620 [0,1,0,0,0,0|2,0,0]=3 513 B11R1.167 Brc1ccc(I)c(c1)C(=O)O PI-21527 [0,1,0,0,0,0|1,0,0]=2 514 B11R1.167 Brc1ccc(c(c1)C(=O)Cl)C PI-39383 [0,1,0,0,0,0|2,0,0]=3 515 B11R1.167 Brc1ccc(c(c1)C(=O)O)Br PI-27786 [0,1,0,0,0,0|1,0,0]=2 516 B11R1.167 Brc1ccc(c(c1)C(=O)O)Cl PI-28277 [0,1,0,0,0,0|1,0,0]=2 517 B11R1.167 Brc1ccc(c(c1)C(=O)O)F PI-16059 [0,1,0,0,0,0|1,0,0]=2 518 B11R1.167 Brc1ccc(c(c1)[N+](=O)[O-])Cl PI-38903 [0,1,0,0,0,0|2,0,1]=4 519 B11R1.167 Brc1ccc(c(c1)[N+](=O)[O-])N PI-11964 [0,1,0,0,0,0|2,0,1]=4 520 B11R1.167 Brc1ccc(c(n1)[N+](=O)[O-])O PI-38967 [0,1,0,0,0,0|2,0,1]=4 521 B11R1.167 Brc1cnc(N)c(c1)C(=O)O PI-22190 [0,1,0,0,0,0|2,0,0]=3 522 B11R1.167 C1=C(C(=NN=C1Cl)Cl)C(=O)O PI-41119 [0,1,0,0,0,0|3,0,0]=4 523 B11R1.167 C1=C(C(=O)NC=C1Br)C(=O)O PI-12916 [0,1,0,0,0,0|1,0,1]=3 524 B11R1.167 C1=C(C(=O)NC=C1Cl)C(=O)O PI-30553 [0,1,0,0,0,0|1,0,1]=3 525 B11R1.167 C1=C(C=NC(=C1C(=O)O)Cl)Br PI-24300 [0,1,0,0,0,0|2,0,0]=3 526 B11R1.167 C1=C(Cl)C=CC(=C1C(N)=O)O PI-12030 [0,1,0,0,0,0|1,0,0]=2 527 B11R1.167 C1=C(N=C(C(=N1)Br)C(=O)O)Br PI-45629 [0,1,0,0,0,0|3,0,0]=4 528 B11R1.167 C1=C(N=C(C(=N1)N)C(=O)O)Br PI-41222 [0,1,0,0,0,0|3,0,0]=4 529 B11R1.167 C1=CC(=C(C=C1Br)C(=O)O)N PI-16097 [0,1,0,0,0,0|1,0,0]=2 530 B11R1.167 C1=CC(=C(C=C1Br)C(=O)O)S PI-44100 [0,1,0,0,0,0|0,1,0]=2 531 B11R1.167 C1=CC(=C(C=C1Br)[N+](=O)[O-])Br PI-50761 [0,1,0,0,0,0|2,0,1]=4 532 B11R1.167 C1=CC(=C(C=C1Br)[N+](=O)[O-])F PI-16938 [0,1,0,0,0,0|2,0,1]=4 533 B11R1.167 C1=CC(=C(C=C1Br)[N+](=O)[O-])O PI-13653 [0,1,0,0,0,0|1,0,1]=3 534 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)Cl)F PI-28486 [0,1,0,0,0,0|2,0,0]=3 535 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)N)Cl PI-30757 [0,1,0,0,0,0|2,0,0]=3 536 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)N)N PI-30674 [0,1,0,0,0,0|2,0,0]=3 537 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)Br PI-20611 [0,1,0,0,0,0|1,0,0]=2 538 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)Cl PI-16113 [0,1,0,0,0,0|1,0,0]=2 539 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)F PI-28487 [0,1,0,0,0,0|1,0,0]=2 540 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)O PI-33939 [0,1,0,0,0,0|0,0,0]=1 541 B11R1.167 C1=CC(=C(C=C1Cl)[N+](=O)[O-])F PI-20104 [0,1,0,0,0,0|2,0,1]=4 542 B11R1.167 C1=CC(=C(C=C1F)C(=O)Cl)Br PI-28051 [0,1,0,0,0,0|2,0,0]=3 543 B11R1.167 C1=CC(=C(C=C1F)C(=O)Cl)Cl PI-34138 [0,1,0,0,0,0|2,0,0]=3 544 B11R1.167 C1=CC(=C(C=C1F)C(=O)N)Cl PI-28878 [0,1,0,0,0,0|2,0,0]=3 545 B11R1.167 C1=CC(=C(C=C1F)C(=O)N)F PI-21126 [0,1,0,0,0,0|2,0,0]=3 546 B11R1.167 C1=CC(=C(C=C1F)C(=O)N)N PI-31251 [0,1,0,0,0,0|2,0,0]=3 547 B11R1.167 C1=CC(=C(C=C1F)C(=O)O)Br PI-16102 [0,1,0,0,0,0|1,0,0]=2 548 B11R1.167 C1=CC(=C(C=C1F)C(=O)O)O PI-28413 [0,1,0,0,0,0|0,0,0]=1 549 B11R1.167 C1=CC(=C(C=C1F)[N+](=O)[O-])Br PI-10721 [0,1,0,0,0,0|2,0,1]=4 550 B11R1.167 C1=CC(=C(C=C1F)[N+](=O)[O-])Cl PI-28414 [0,1,0,0,0,0|2,0,1]=4 551 B11R1.167 C1=CC(=C(C=C1F)[N+](=O)[O-])I PI-10727 [0,1,0,0,0,0|2,0,1]=4 552 B11R1.167 C1=CC(=C(C=C1F)[N+](=O)[O-])N PI-28444 [0,1,0,0,0,0|2,0,1]=4 553 B11R1.167 C1=CC(=C(C=C1F)[N+](=O)[O-])O PI-31180 [0,1,0,0,0,0|1,0,1]=3 554 B11R1.167 C1=CC(=C(C=C1I)C(=O)O)Cl PI-44655 [0,1,0,0,0,0|1,0,0]=2 555 B11R1.167 C1=CC(=C(C=C1I)C(=O)O)F PI-18130 [0,1,0,0,0,0|1,0,0]=2 556 B11R1.167 C1=CC(=C(C=C1N)C(=O)O)F PI-16066 [0,1,0,0,0,0|1,0,0]=2 557 B11R1.167 C1=CC(=C(C=C1N)C(=O)O)O PI-33946 [0,1,0,0,0,0|0,0,0]=1 558 B11R1.167 C1=CC(=C(C=C1N)[N+](=O)[O-])Br PI-29667 [0,1,0,0,0,0|2,0,1]=4 559 B11R1.167 C1=CC(=C(C=C1N)[N+](=O)[O-])F PI-11983 [0,1,0,0,0,0|2,0,1]=4 560 B11R1.167 C1=CC(=C(C=C1O)[N+](=O)[O-])Cl PI-29756 [0,1,0,0,0,0|2,0,1]=4 561 B11R1.167 C1=CC(=C(C=C1O)[N+](=O)[O-])I PI-29638 [0,1,0,0,0,0|2,0,1]=4 562 B11R1.167 CC(=O)C1=C(C=CC(=C1)Br)F PI-40483 [0,1,0,0,0,0|2,0,0]=3 563 B11R1.167 CC(=O)C1=C(C=CC(=C1)Br)N PI-50076 [0,1,0,0,0,0|2,0,0]=3 564 B11R1.167 CC(=O)C1=C(C=CC(=C1)Br)O PI-15407 [0,1,0,0,0,0|1,0,0]=2 565 B11R1.167 CC(=O)C1=C(C=CC(=C1)Cl)O PI-11257 [0,1,0,0,0,0|1,0,0]=2 566 B11R1.167 CC(=O)C1=C(C=CC(=C1)F)F PI-28256 [0,1,0,0,0,0|2,0,0]=3 567 B11R1.167 CC(=O)C1=C(C=CC(=C1)F)O PI-16161 [0,1,0,0,0,0|1,0,0]=2 568 B11R1.167 CC(=O)C1=C(C=CC(=C1)N)Cl PI-31000 [0,1,0,0,0,0|2,0,0]=3 569 B11R1.167 CC(=O)C1=C(N=CC(=C1)Br)F PI-48367 [0,1,0,0,0,0|3,0,0]=4 570 B11R1.167 CC(C1=CC(F)=CC=C1I)=O PI-41210 [0,1,0,0,0,0|2,0,0]=3 571 B11R1.167 CC(C1=CC(F)=CC=C1N)=O PI-46722 [0,1,0,0,0,0|2,0,0]=3 572 B11R1.167 CC1=C(C=C(C=C1)Br)C(=O)O PI-31513 [0,1,0,0,0,0|1,0,0]=2 573 B11R1.167 CC1=C(C=C(C=C1)Br)[N+](=O)[O-] PI-11598 [0,1,0,0,0,0|2,0,1]=4 574 B11R1.167 CC1=C(C=C(C=C1)F)C(=O)Cl PI-23751 [0,1,0,0,0,0|2,0,0]=3 575 B11R1.167 CC1=C(C=C(C=C1)F)C(=O)N PI-23733 [0,1,0,0,0,0|2,0,0]=3 576 B11R1.167 CC1=C(C=C(C=C1)F)[N+](=O)[O-] PI-16977 [0,1,0,0,0,0|2,0,1]=4 577 B11R1.167 CC1=C(C=C(C=C1)I)C(=O)O PI-35497 [0,1,0,0,0,0|1,0,0]=2 578 B11R1.167 CC1=C(C=C(C=C1)I)[N+](=O)[O-] PI-26624 [0,1,0,0,0,0|2,0,1]=4 579 B11R1.167 CC1=C(C=C(C=C1)O)[N+](=O)[O-] PI-10544 [0,1,0,0,0,0|2,0,1]=4 580 B11R1.167 CC1=CC(=C(C=C1)Br)C(=O)O PI-22124 [0,1,0,0,0,0|1,0,0]=2 581 B11R1.167 CC1=CC(=C(C=C1)Br)[N+](=O)[O-] PI-22212 [0,1,0,0,0,0|2,0,1]=4 582 B11R1.167 CC1=CC(=C(C=C1)C)C(=O)C PI-23365 [0,1,0,0,0,0|2,0,0]=3 583 B11R1.167 CC1=CC(=C(C=C1)C)C(=O)O PI-16116 [0,1,0,0,0,0|1,0,0]=2 584 B11R1.167 CC1=CC(=C(C=C1)C)[N+](=O)[O-] PI-13194 [0,1,0,0,0,0|2,0,1]=4 585 B11R1.167 CC1=CC(=C(C=C1)Cl)C(=O)O PI-44945 [0,1,0,0,0,0|1,0,0]=2 586 B11R1.167 CC1=CC(=C(C=C1)Cl)[N+](=O)[O-] PI-34332 [0,1,0,0,0,0|2,0,1]=4 587 B11R1.167 CC1=CC(=C(C=C1)F)C(=O)C PI-30627 [0,1,0,0,0,0|2,0,0]=3 588 B11R1.167 CC1=CC(=C(C=C1)F)C(=O)O PI-10194 [0,1,0,0,0,0|1,0,0]=2 589 B11R1.167 CC1=CC(=C(C=C1)F)[N+](=O)[O-] PI-10423 [0,1,0,0,0,0|2,0,1]=4 590 B11R1.167 CC1=CC(=C(C=C1)I)C(=O)O PI-44708 [0,1,0,0,0,0|1,0,0]=2 591 B11R1.167 CC1=CC(=C(C=C1)N)C(=O)N PI-11516 [0,1,0,0,0,0|2,0,0]=3 592 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)C PI-16152 [0,1,0,0,0,0|1,0,0]=2 593 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)N PI-32434 [0,1,0,0,0,0|1,0,0]=2 594 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)O PI-12037 [0,1,0,0,0,0|0,0,0]=1 595 B11R1.167 CC1=NC(=C(C=C1)O)[N+](=O)[O-] PI-24120 [0,1,0,0,0,0|2,0,1]=4 596 B11R1.167 Cc1ccc(C)c(c1)B(O)O PI-33619 [0,1,0,0,0,0|2,0,1]=4 597 B11R1.167 Cc1ccc(c(c1)B(O)O)Cl PI-19269 [0,1,0,0,0,0|2,0,1]=4 598 B11R1.167 Cc1ccc(c(c1)B(O)O)F PI-19183 [0,1,0,0,0,0|2,0,1]=4 599 B11R1.167 Cc1ccc(c(c1)C(=O)O)I PI-44956 [0,1,0,0,0,0|1,0,0]=2 600 B11R1.167 Cc1ccc(c(c1)C(=O)O)N PI-11791 [0,1,0,0,0,0|1,0,0]=2 601 B11R1.167 Clc1ccc(N)c(c1)[N+](=O)[O-] PI-32440 [0,1,0,0,0,0|2,0,1]=4 602 B11R1.167 Clc1ccc(c(c1)B(O)O)Cl PI-11580 [0,1,0,0,0,0|2,0,1]=4 603 B11R1.167 Clc1ccc(c(c1)B(O)O)O PI-39030 [0,1,0,0,0,0|1,0,1]=3 604 B11R1.167 Clc1ccc(c(c1)C(=O)C)Cl PI-11720 [0,1,0,0,0,0|2,0,0]=3 605 B11R1.167 Clc1ccc(c(c1)C(=O)Cl)Cl PI-12081 [0,1,0,0,0,0|2,0,0]=3 606 B11R1.167 Clc1ccc(c(c1)[N+](=O)[O-])C PI-31778 [0,1,0,0,0,0|2,0,1]=4 607 B11R1.167 Clc1ccc(c(n1)C(=O)O)C PI-39087 [0,1,0,0,0,0|2,0,0]=3 608 B11R1.167 Clc1ccc(c(n1)C(=O)O)Cl PI-16736 [0,1,0,0,0,0|2,0,0]=3 609 B11R1.167 Clc1ncc(c(c1)C(=O)O)Br PI-36973 [0,1,0,0,0,0|2,0,0]=3 610 B11R1.167 Clc1ncc(c(c1)C(=O)O)Cl PI-38193 [0,1,0,0,0,0|2,0,0]=3 611 B11R1.167 Fc1ccc(Cl)c(c1)C(=O)C PI-29442 [0,1,0,0,0,0|2,0,0]=3 612 B11R1.167 Fc1ccc(F)c(c1)C(=O)O PI-16919 [0,1,0,0,0,0|1,0,0]=2 613 B11R1.167 Fc1ccc(I)c(c1)C(=O)O PI-34282 [0,1,0,0,0,0|1,0,0]=2 614 B11R1.167 Fc1ccc(c(c1)C(=O)Cl)F PI-28434 [0,1,0,0,0,0|2,0,0]=3 615 B11R1.167 Fc1ccc(c(c1)C(=O)O)C PI-16069 [0,1,0,0,0,0|1,0,0]=2 616 B11R1.167 Fc1ccc(c(c1)C(=O)O)N PI-16065 [0,1,0,0,0,0|1,0,0]=2 617 B11R1.167 Fc1ccc(c(c1)[N+](=O)[O-])F PI-32232 [0,1,0,0,0,0|2,0,1]=4 618 B11R1.167 Fc1ncc(c(c1)C(=O)O)N PI-32204 [0,1,0,0,0,0|2,0,0]=3 619 B11R1.167 IC1=CC=C(Br)C([N+]([O-])=O)=C1 PI-46833 [0,1,0,0,0,0|2,0,1]=4 620 B11R1.167 Ic1ccc(N)c(c1)C(=O)O PI-16099 [0,1,0,0,0,0|1,0,0]=2 621 B11R1.167 Ic1ccc(c(c1)C(=O)O)Br PI-21526 [0,1,0,0,0,0|1,0,0]=2 622 B11R1.167 Ic1ccc(c(c1)[N+](=O)[O-])N PI-39062 [0,1,0,0,0,0|2,0,1]=4 623 B11R1.167 NC1=CC(C(O)=O)=C(N)C=C1 PI-31741 [0,1,0,0,0,0|1,0,0]=2 624 B11R1.167 NC1=CC=C(N)C=C1[N+]([O-])=O PI-37805 [0,1,0,0,0,0|2,0,1]=4 625 B11R1.167 Nc1ccc(O)cc1C(O)=O PI-10210 [0,1,0,0,0,0|1,0,0]=2 626 B11R1.167 Nc1ccc(c(c1)C(=O)O)Br PI-33365 [0,1,0,0,0,0|1,0,0]=2 627 B11R1.167 Nc1ccc(c(c1)C(=O)O)Cl PI-27966 [0,1,0,0,0,0|1,0,0]=2 628 B11R1.167 Nc1ccc(c(c1)[N+](=O)[O-])O PI-28082 [0,1,0,0,0,0|1,0,1]=3 629 B11R1.167 O=C(N)C1=CC(Br)=CC=C1O PI-30813 [0,1,0,0,0,0|1,0,0]=2 630 B11R1.167 O=C(O)C1=CC(F)=CC=C1Cl PI-16104 [0,1,0,0,0,0|1,0,0]=2 631 B11R1.167 O=C([O-])C1=CC(N)=CC=C1O PI-35671 [0,1,0,0,0,0|0,0,1]=2 632 B11R1.167 O=C([O-])C1=CC(O)=CC=C1O PI-12846 [0,1,0,0,0,0|0,0,1]=2 633 B11R1.167 OB(C1=CC(Cl)=CC=C1F)O PI-25476 [0,1,0,0,0,0|2,0,1]=4 634 B11R1.167 OC1=CC=C(Br)C=C1C(C)C PI-37179 [0,1,0,0,0,0|2,0,1]=4 635 B11R1.167 Oc1ccc(O)c(c1)C(=O)C PI-31206 [0,1,0,0,0,0|1,0,0]=2 636 B11R1.167 Oc1ccc(c(c1)C(=O)O)F PI-23587 [0,1,0,0,0,0|1,0,0]=2 637 B11R1.167 Oc1ccc(c(c1)C(=O)O)O PI-12845 [0,1,0,0,0,0|0,0,0]=1 638 B11R1.167 Oc1ccc(c(c1)[N+](=O)[O-])F PI-13385 [0,1,0,0,0,0|2,0,1]=4 639 B11R1.167 Oc1ccc(c(c1)[N+](=O)[O-])N PI-31244 [0,1,0,0,0,0|2,0,1]=4 640 B11R1.222 BrCC(=O)c1ccccc1Br PI-31567 [0,1,0,0,0,0|2,0,0]=3 641 B11R1.222 BrCC(=O)c1ccccc1Cl PI-20199 [0,1,0,0,0,0|2,0,0]=3 642 B11R1.222 BrCC(=O)c1ccccc1F PI-17348 [0,1,0,0,0,0|2,0,0]=3 643 B11R1.222 BrCC(=O)c1ccccc1O PI-31566 [0,1,0,0,0,0|1,0,0]=2 644 B11R1.222 C1=CC(=C(N=C1)N)C(=O)NN PI-50253 [0,1,0,0,0,0|3,0,0]=4 645 B11R1.222 C1=CC=C(C(=C1)C(=O)NN)Br PI-50495 [0,1,0,0,0,0|2,0,0]=3 646 B11R1.222 C1=CC=C(C(=C1)C(=O)NN)F PI-23454 [0,1,0,0,0,0|2,0,0]=3 647 B11R1.222 C1=CC=C(C(=C1)C(=O)NN)N PI-30252 [0,1,0,0,0,0|2,0,0]=3 648 B11R1.222 C1=CC=C(C(=C1)C(=O)NN)O PI-29980 [0,1,0,0,0,0|1,0,0]=2 649 B11R1.222 CC(=NO)C1=CC=CC=C1O PI-29083 [0,1,0,0,0,0|1,0,0]=2 650 B11R1.222 CC1=C(C=CC=N1)C(=O)OC PI-13128 [0,1,0,0,0,0|2,0,0]=3 651 B11R1.222 CC1=CC=CC=C1C(=O)CBr PI-31565 [0,1,0,0,0,0|2,0,0]=3 652 B11R1.222 CC1=CC=CC=C1C(=O)NN PI-24611 [0,1,0,0,0,0|2,0,0]=3 653 B11R1.222 CCC(=O)C1=CC=CC=C1F PI-16905 [0,1,0,0,0,0|2,0,0]=3 654 B11R1.222 CCC(=O)c1ccccc1O PI-15452 [0,1,0,0,0,0|1,0,0]=2 655 B11R1.222 COC(=O)C1=C(C=CC=N1)Cl PI-34713 [0,1,0,0,0,0|2,0,0]=3 656 B11R1.222 COC(=O)C1=C(C=CN=C1)N PI-33897 [0,1,0,0,0,0|2,0,0]=3 657 B11R1.222 COC(=O)C1=C(C=NC=C1)O PI-34886 [0,1,0,0,0,0|1,0,0]=2 658 B11R1.222 COC(=O)C1=C(N=CC=C1)Cl PI-24397 [0,1,0,0,0,0|2,0,0]=3 659 B11R1.222 COC(=O)C1=C(N=CC=C1)N PI-35287 [0,1,0,0,0,0|2,0,0]=3 660 B11R1.222 COC(=O)C1=CC=CC=C1Br PI-50462 [0,1,0,0,0,0|1,0,0]=2 661 B11R1.222 COC(=O)C1=CC=CC=C1Cl PI-34231 [0,1,0,0,0,0|1,0,0]=2 662 B11R1.222 COC(=O)C1=CC=CC=C1F PI-34134 [0,1,0,0,0,0|1,0,0]=2 663 B11R1.222 COC(=O)C1=CC=CC=C1S PI-50244 [0,1,0,0,0,0|0,1,0]=2 664 B11R1.222 COC(=O)C1=NC=CN=C1N PI-10107 [0,1,0,0,0,0|3,0,0]=4 665 B11R1.222 COC(=O)c1ccccc1I PI-10942 [0,1,0,0,0,0|1,0,0]=2 666 B11R1.222 COC(=O)c1ccncc1Br PI-38429 [0,1,0,0,0,0|2,0,0]=3 667 B11R1.222 COC(=O)c1ccncc1Cl PI-36383 [0,1,0,0,0,0|2,0,0]=3 668 B11R1.222 COC(=O)c1ccncc1N PI-35280 [0,1,0,0,0,0|2,0,0]=3 669 B11R1.222 COC(=O)c1ncccc1N PI-39311 [0,1,0,0,0,0|2,0,0]=3 670 B11R1.222 COC(=O)c1ncccc1O PI-31931 [0,1,0,0,0,0|1,0,0]=2 671 B11R1.222 COC(=O)c1nccnc1Cl PI-38428 [0,1,0,0,0,0|3,0,0]=4 672 B11R1.222 O=C(C1=CC=CNC1=O)OC PI-40201 [0,1,0,0,0,0|1,0,1]=3 673 B11R1.222 O=C(C1=NC=CC=C1Br)OC PI-39663 [0,1,0,0,0,0|2,0,0]=3 674 B11R1.222 OC1=NC=CN=C1C(=O)OC PI-40997 [0,1,0,0,0,0|2,0,0]=3 675 B11R1.222 ONC(=O)c1ccccc1O PI-31365 [0,1,0,0,0,0|0,0,0]=1 676 B9R0.33 C=CCC(C(=O)O)C(=O)O PI-30391 [0,0,1,0,0,0|1,0,2]=4 677 B11R2.1 B1(C2=CC=CC=C2CO1)O PI-25687 [0,0,0,1,0,0|2,0,1]=4 678 B11R2.1 C1=CC2=C(NN=C2C=C1)Br PI-34805 [0,0,0,1,0,0|3,0,0]=4 679 B11R2.1 C1=CC2=NNC(=O)N2C=C1 PI-11229 [0,0,0,1,0,0|3,0,0]=4 680 B11R2.1 C1=CC2=NO[N+](=C2C=C1)[O-] PI-32324 [0,0,0,1,0,0|2,0,1]=4 681 B11R2.1 C1=CC=C2C(=C1)C(=CN2)Br PI-34828 [0,0,0,1,0,0|3,0,0]=4 682 B11R2.1 C1=CC=C2C(=C1)C(=CO2)Br PI-17445 [0,0,0,1,0,0|2,0,0]=3 683 B11R2.1 C1=CC=C2C(=C1)C(=CS2)Br PI-14249 [0,0,0,1,0,0|2,1,0]=4 684 B11R2.1 C1=CC=C2C(=C1)C(=CS2)O PI-14308 [0,0,0,1,0,0|1,1,0]=3 685 B11R2.1 C1=CC=C2C(=C1)C(=NO2)N PI-14154 [0,0,0,1,0,0|2,0,0]=3 686 B11R2.1 C1=CC=C2C(=C1)C(=NS2)Cl PI-12200 [0,0,0,1,0,0|2,1,0]=4 687 B11R2.1 C1=CC=C2C(=C1)C(=O)NS2 PI-11536 [0,0,0,1,0,0|1,1,0]=3 688 B11R2.1 C1=CC=C2C(=C1)C=CS2=O PI-14312 [0,0,0,1,0,0|3,0,0]=4 689 B11R2.1 C1C(=O)C2=CC=CC=C2O1 PI-27871 [0,0,0,1,0,0|1,0,0]=2 690 B11R2.1 C1C(=O)C2=CC=CC=C2O1 PI-33947 [0,0,0,1,0,0|1,0,0]=2 691 B11R2.1 C1C2=C(C(=O)O1)N=CC=C2 PI-40243 [0,0,0,1,0,0|2,0,0]=3 692 B11R2.1 C1CC(=O)C2=CC=CC=C21 PI-12356 [0,0,0,1,0,0|2,0,0]=3 693 B11R2.1 CC1=CSC2=CC=CC=C12 PI-26140 [0,0,0,1,0,0|2,1,0]=4 694 B11R2.1 Cc1c[nH]c2c1cccc2 PI-10761 [0,0,0,1,0,0|3,0,0]=4 695 B11R2.1 ClC1=NOC2=C1C=CC=C2 PI-15670 [0,0,0,1,0,0|2,0,0]=3 696 B11R2.1 O=C1C2=CC=CC=C2SC1 PI-42644 [0,0,0,1,0,0|1,1,0]=3 697 B11R2.1 O=C1OCc2c1cccc2 PI-33738 [0,0,0,1,0,0|1,0,0]=2 698 B11R2.1 O=C1SSC2=CC=CC=C12 PI-41753 [0,0,0,1,0,0|0,2,0]=3 699 B11R2.1 On1nnc2ccccc12 PI-15275 [0,0,0,1,0,0|3,0,0]=4 700 B11R2.1 On1nnc2ccccc12 PI-15359 [0,0,0,1,0,0|3,0,0]=4 701 B9R1.41 C1=C(C(=CS1)Br)C(=O)O PI-29187 [0,0,0,0,1,0|2,0,0]=3 702 B9R1.41 C1=CSC(=C1Br)C(=O)Cl PI-29405 [0,0,0,0,1,0|3,0,0]=4 703 B9R1.41 C1=CSC(=C1Br)C(=O)O PI-22617 [0,0,0,0,1,0|2,0,0]=3 704 B9R1.41 C1=CSC(=C1Cl)C(=O)Cl PI-20245 [0,0,0,0,1,0|3,0,0]=4 705 B9R1.41 C1=CSC(=C1Cl)C(=O)N PI-29148 [0,0,0,0,1,0|3,0,0]=4 706 B9R1.41 C1=CSC(=C1Cl)C(=O)O PI-10801 [0,0,0,0,1,0|2,0,0]=3 707 B9R1.41 C1=NNC(=C1C(=O)O)N PI-13600 [0,0,0,0,1,0|3,0,0]=4 708 B9R1.41 CC(=O)C1=C(C=CS1)N PI-26559 [0,0,0,0,1,0|3,0,0]=4 709 B9R1.41 CC(=O)C1=CC=CN1C PI-12067 [0,0,0,0,1,0|3,0,0]=4 710 B9R1.41 CC1=C(C=CO1)C(=O)Cl PI-19717 [0,0,0,0,1,0|3,0,0]=4 711 B9R1.41 CC1=C(C=NO1)C(=O)O PI-10238 [0,0,0,0,1,0|3,0,0]=4 712 B9R1.41 CC1=C(OC=C1)C(=O)O PI-17475 [0,0,0,0,1,0|2,0,0]=3 713 B9R1.41 CC1=C(SC=C1)C(=O)C PI-35069 [0,0,0,0,1,0|3,0,0]=4 714 B9R1.41 CC1=C(SC=C1)C(=O)Cl PI-11936 [0,0,0,0,1,0|3,0,0]=4 715 B9R1.41 CC1=C(SC=C1)C(=O)N PI-29912 [0,0,0,0,1,0|3,0,0]=4 716 B9R1.41 CC1=C(SC=C1)C(=O)O PI-11161 [0,0,0,0,1,0|2,0,0]=3 717 B9R1.41 CC1=C(SC=N1)C(=O)O PI-11138 [0,0,0,0,1,0|3,0,0]=4 718 B9R1.41 CN1C=CN=C1C(=O)O PI-45034 [0,0,0,0,1,0|3,0,0]=4 719 B9R1.41 Cn1cncc1C(=O)O PI-35821 [0,0,0,0,1,0|3,0,0]=4 720 B9R1.41 NC(=O)c1sccc1N PI-14136 [0,0,0,0,1,0|3,0,0]=4 721 B9R1.41 O=C(C1=C(Br)SC=C1)O PI-41655 [0,0,0,0,1,0|2,0,0]=3 722 B9R1.41 O=C(C1=C(N)SC=C1)N PI-37067 [0,0,0,0,1,0|3,0,0]=4 723 B9R1.41 OC(=O)c1occc1Br PI-39205 [0,0,0,0,1,0|2,0,0]=3 724 B9R1.41 OC(=O)c1sccc1O PI-36902 [0,0,0,0,1,0|1,0,0]=2 725 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)Br PI-14498 [0,0,0,0,0,1|1,0,0]=2 726 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)O PI-10304 [0,0,0,0,0,1|0,0,0]=1 727 B11R1.86 CC(=O)Cc1ccccc1F PI-38595 [0,0,0,0,0,1|2,0,0]=3 728 B11R1.86 CC(=O)NC1=CC=CC=C1Br PI-50525 [0,0,0,0,0,1|2,0,0]=3 729 B11R1.86 CC(=O)NC1=CC=CC=C1F PI-34151 [0,0,0,0,0,1|2,0,0]=3 730 B11R1.86 CC(=O)NC1=CC=CC=C1O PI-11773 [0,0,0,0,0,1|1,0,0]=2 731 B11R1.86 CC(=O)Nc1ccccc1N PI-39094 [0,0,0,0,0,1|2,0,0]=3 732 B11R1.86 CC(=O)OC1=CC=CC=C1Cl PI-10924 [0,0,0,0,0,1|2,0,0]=3 733 B11R1.86 CC1=CC=CC=C1N=C(N)N PI-47265 [0,0,0,0,0,1|3,0,0]=4 734 B11R1.86 CC1=CC=CC=C1NC(=S)N PI-24519 [0,0,0,0,0,1|2,1,0]=4 735 B11R1.86 ClC(=O)Cc1ccccc1C PI-24889 [0,0,0,0,0,1|2,0,0]=3 736 B11R1.86 NC(=S)Nc1ccccc1Br PI-22565 [0,0,0,0,0,1|2,1,0]=4 737 B11R1.86 NC(=S)Nc1ccccc1F PI-29832 [0,0,0,0,0,1|2,1,0]=4 738 B11R1.86 OC(=O)Cc1ccccc1C PI-30825 [0,0,0,0,0,1|1,0,0]=2 739 B11R1.86 OC(=O)Cc1ccccc1Cl PI-11828 [0,0,0,0,0,1|1,0,0]=2 740 B11R1.86 OC(=O)Cc1ccccc1F PI-16981 [0,0,0,0,0,1|1,0,0]=2 741 B11R1.86 OC(=O)Cc1ccccc1I PI-12208 [0,0,0,0,0,1|1,0,0]=2 742 B8R1.2 BrCC1=CC=CC=C1 PI-36476 [2,0,0,0,0,0|1,0,1]=4 743 B8R1.2 C#CC1=CC=CC=C1 PI-48958 [2,0,0,0,0,0|1,0,1]=4 744 B8R1.2 C1=CN=C(N=C1)C=O PI-32954 [2,0,0,0,0,0|2,0,0]=4 745 B8R1.2 C1=CN=CC=C1CO PI-16744 [2,0,0,0,0,0|1,0,1]=4 746 B8R1.2 C1=CN=CN=C1C=O PI-34868 [2,0,0,0,0,0|2,0,0]=4 747 B8R1.2 NCC1=CC=CC=C1 PI-37209 [2,0,0,0,0,0|1,0,1]=4 748 B8R1.2 NNC1=CC=CC=C1 PI-41551 [2,0,0,0,0,0|2,0,0]=4 749 B8R1.2 O=Cc1ccccn1 PI-33895 [2,0,0,0,0,0|1,0,0]=3 750 B8R1.2 O=Cc1cccnc1 PI-33908 [2,0,0,0,0,0|1,0,0]=3 751 B8R1.2 O=Cc1ccncc1 PI-13140 [2,0,0,0,0,0|1,0,0]=3 752 B8R1.2 OCC1=CC=CN=C1 PI-11019 [2,0,0,0,0,0|1,0,1]=4 753 B8R1.2 OCC1=NC=CC=C1 PI-16261 [2,0,0,0,0,0|1,0,1]=4 754 B8R1.2 OCc1ccncc1 PI-16686 [2,0,0,0,0,0|1,0,1]=4 755 B8R1.2 ONc1ccccc1 PI-38448 [2,0,0,0,0,0|1,0,0]=3 756 B8R1.2 [C-]#CC1=CC=CC=C1 PI-48435 [2,0,0,0,0,0|1,0,1]=4 757 B8R1.5 Brc1ccccc1Br PI-38145 [2,0,0,0,0,0|2,0,0]=4 758 B8R1.5 C1=CC(=C(N=C1)Cl)O PI-16697 [2,0,0,0,0,0|2,0,0]=4 759 B8R1.5 C1=CC(=C(N=C1)F)O PI-40205 [2,0,0,0,0,0|2,0,0]=4 760 B8R1.5 C1=CC(=O)N(C=C1)O PI-43160 [2,0,0,0,0,0|1,0,0]=3 761 B8R1.5 C1=CC(=S)N(C=C1)O PI-13313 [2,0,0,0,0,0|1,1,0]=4 762 B8R1.5 C1=CC(=S)N(C=C1)O PI-15830 [2,0,0,0,0,0|1,1,0]=4 763 B8R1.5 C1=CC=C(C(=C1)Cl)Br PI-41004 [2,0,0,0,0,0|2,0,0]=4 764 B8R1.5 C1=CC=C(C(=C1)Cl)Cl PI-21004 [2,0,0,0,0,0|2,0,0]=4 765 B8R1.5 C1=CC=C(C(=C1)F)I PI-23606 [2,0,0,0,0,0|2,0,0]=4 766 B8R1.5 C1=CC=C(C(=C1)F)S PI-16911 [2,0,0,0,0,0|1,1,0]=4 767 B8R1.5 C1=CC=C(C(=C1)N)I PI-10964 [2,0,0,0,0,0|2,0,0]=4 768 B8R1.5 C1=CC=C(C(=C1)N)N PI-17100 [2,0,0,0,0,0|2,0,0]=4 769 B8R1.5 C1=CC=C(C(=C1)O)F PI-11848 [2,0,0,0,0,0|1,0,0]=3 770 B8R1.5 C1=CNC(=O)C(=C1)Cl PI-35282 [2,0,0,0,0,0|2,0,0]=4 771 B8R1.5 C1=CNC(=O)C(=C1)F PI-34509 [2,0,0,0,0,0|2,0,0]=4 772 B8R1.5 C1=CNC(=O)C(=C1)N PI-10375 [2,0,0,0,0,0|2,0,0]=4 773 B8R1.5 C1=CNC=C(C1=O)N PI-28705 [2,0,0,0,0,0|2,0,0]=4 774 B8R1.5 CC1=C(C=NC=C1)O PI-34258 [2,0,0,0,0,0|1,0,1]=4 775 B8R1.5 CC1=CC=CC=C1I PI-10980 [2,0,0,0,0,0|1,0,1]=4 776 B8R1.5 Cc1ccccc1F PI-34118 [2,0,0,0,0,0|1,0,1]=4 777 B8R1.5 Cc1cnccc1O PI-38275 [2,0,0,0,0,0|1,0,1]=4 778 B8R1.5 Fc1ccccc1Br PI-33063 [2,0,0,0,0,0|2,0,0]=4 779 B8R1.5 Fc1ccccc1F PI-11671 [2,0,0,0,0,0|2,0,0]=4 780 B8R1.5 IC1=CC=CC=C1Br PI-21523 [2,0,0,0,0,0|2,0,0]=4 781 B8R1.5 IC1=CC=CC=C1I PI-21274 [2,0,0,0,0,0|2,0,0]=4 782 B8R1.5 O=c1[nH]cccc1C PI-16687 [2,0,0,0,0,0|2,0,0]=4 783 B8R1.5 O=c1ccccn1C PI-10985 [2,0,0,0,0,0|2,0,0]=4 784 B8R1.5 OC1=C(I)C=CC=C1 PI-10953 [2,0,0,0,0,0|1,0,0]=3 785 B8R1.5 OC1=NC=CC=C1Br PI-37057 [2,0,0,0,0,0|2,0,0]=4 786 B8R1.5 Oc1ccccc1Br PI-10952 [2,0,0,0,0,0|1,0,0]=3 787 B8R1.5 Oc1ccccc1O PI-31351 [2,0,0,0,0,0|0,0,0]=2 788 B8R1.5 Oc1ccccc1S PI-20878 [2,0,0,0,0,0|0,1,0]=3 789 B8R1.5 Oc1cccnc1Br PI-16727 [2,0,0,0,0,0|2,0,0]=4 790 B8R1.5 Oc1cccnc1C PI-13315 [2,0,0,0,0,0|1,0,1]=4 791 B8R1.5 Oc1cccnc1N PI-16260 [2,0,0,0,0,0|2,0,0]=4 792 B8R1.5 Oc1ccncc1Br PI-38971 [2,0,0,0,0,0|2,0,0]=4 793 B8R1.5 Oc1ncccc1O PI-11386 [2,0,0,0,0,0|1,0,0]=3 794 B10R1.13 B(C1=CC=C(C=C1)N)(O)O PI-25845 [1,1,0,0,0,0|1,0,1]=4 795 B10R1.13 B(C1=CC=C(C=C1)O)(O)O PI-25808 [1,1,0,0,0,0|1,0,1]=4 796 B10R1.13 B(C1=CC=C(C=C1)S)(O)O PI-33001 [1,1,0,0,0,0|1,0,1]=4 797 B10R1.13 Brc1ccc(cc1)B(O)O PI-25661 [1,1,0,0,0,0|1,0,1]=4 798 B10R1.13 Brc1ccc(cc1)C(=O)O PI-27741 [1,1,0,0,0,0|0,0,0]=2 799 B10R1.13 Brc1ccc(cc1)S(=O)[O-] PI-30223 [1,1,0,0,0,0|1,0,1]=4 800 B10R1.13 Brc1ccc(cc1)[N+](=O)[O-] PI-30746 [1,1,0,0,0,0|1,0,1]=4 801 B10R1.13 Brc1ccc(cn1)C(=O)O PI-10090 [1,1,0,0,0,0|1,0,0]=3 802 B10R1.13 Brc1ccc(nc1)C(=O)O PI-10180 [1,1,0,0,0,0|1,0,0]=3 803 B10R1.13 C1=C(C(=N)N)C=CC(=C1)F PI-38824 [1,1,0,0,0,0|2,0,0]=4 804 B10R1.13 C1=C(C=NC(=N1)C(=O)O)Br PI-32859 [1,1,0,0,0,0|2,0,0]=4 805 B10R1.13 C1=CC(=CC=C1C(=N)N)Cl PI-23130 [1,1,0,0,0,0|2,0,0]=4 806 B10R1.13 C1=CC(=CC=C1C(=N)N)Cl PI-36543 [1,1,0,0,0,0|2,0,0]=4 807 B10R1.13 C1=CC(=CC=C1C(=N)N)N PI-10167 [1,1,0,0,0,0|2,0,0]=4 808 B10R1.13 C1=CC(=CC=C1C(=N)N)N PI-30927 [1,1,0,0,0,0|2,0,0]=4 809 B10R1.13 C1=CC(=CC=C1C(=O)Cl)F PI-11984 [1,1,0,0,0,0|1,0,0]=3 810 B10R1.13 C1=CC(=CC=C1C(=O)N)Cl PI-30790 [1,1,0,0,0,0|1,0,0]=3 811 B10R1.13 C1=CC(=CC=C1C(=O)N)O PI-20729 [1,1,0,0,0,0|1,0,0]=3 812 B10R1.13 C1=CC(=CC=C1C(=O)O)I PI-12206 [1,1,0,0,0,0|0,0,0]=2 813 B10R1.13 C1=CC(=CC=C1C(=O)O)S PI-11996 [1,1,0,0,0,0|0,0,0]=2 814 B10R1.13 C1=CC(=CC=C1C(=O)[O-])F PI-28585 [1,1,0,0,0,0|0,0,1]=3 815 B10R1.13 C1=CC(=CC=C1C(=S)N)Br PI-22614 [1,1,0,0,0,0|1,1,0]=4 816 B10R1.13 C1=CC(=CC=C1C(N)=O)F PI-28843 [1,1,0,0,0,0|1,0,0]=3 817 B10R1.13 C1=CC(=CC=C1F)S(=O)[O-] PI-23445 [1,1,0,0,0,0|1,0,1]=4 818 B10R1.13 C1=CC(=CC=C1N)[N+](=O)[O-] PI-50479 [1,1,0,0,0,0|1,0,1]=4 819 B10R1.13 C1=CC(=CC=C1S(=O)[O-])Cl PI-23131 [1,1,0,0,0,0|1,0,1]=4 820 B10R1.13 C1=CC(=NC=C1C(=O)N)Cl PI-30802 [1,1,0,0,0,0|2,0,0]=4 821 B10R1.13 C1=CC(=NC=C1C(=O)N)N PI-17748 [1,1,0,0,0,0|2,0,0]=4 822 B10R1.13 C1=CC(=NC=C1C(=O)O)Cl PI-31219 [1,1,0,0,0,0|1,0,0]=3 823 B10R1.13 C1=CC(=NC=C1C(=O)O)F PI-16388 [1,1,0,0,0,0|1,0,0]=3 824 B10R1.13 C1=CC(=NC=C1C(=O)O)N PI-10089 [1,1,0,0,0,0|1,0,0]=3 825 B10R1.13 C1=CC(=O)NC=C1C(=O)O PI-10378 [1,1,0,0,0,0|1,0,0]=3 826 B10R1.13 C1=CC(=O)OC=C1C(=O)O PI-31209 [1,1,0,0,0,0|1,0,0]=3 827 B10R1.13 C1=C[N+](=CC=C1C(=O)O)[O-] PI-18162 [1,1,0,0,0,0|1,0,0]=3 828 B10R1.13 CC(=O)C1=CC=C(C=C1)Br PI-44871 [1,1,0,0,0,0|1,0,0]=3 829 B10R1.13 CC(=O)C1=CC=C(C=C1)N PI-29588 [1,1,0,0,0,0|1,0,0]=3 830 B10R1.13 CC(=O)C1=CN=C(C=C1)N PI-34884 [1,1,0,0,0,0|2,0,0]=4 831 B10R1.13 CC(=O)C1=NC=C(C=C1)Br PI-41220 [1,1,0,0,0,0|2,0,0]=4 832 B10R1.13 CC(=O)c1ccc(cc1)I PI-29117 [1,1,0,0,0,0|1,0,0]=3 833 B10R1.13 CC(C1=CC=C(C=C1)Br)O PI-32579 [1,1,0,0,0,0|1,0,1]=4 834 B10R1.13 CC(C1=CC=C(C=C1)N)O PI-11962 [1,1,0,0,0,0|1,0,1]=4 835 B10R1.13 CC(C1=CC=C(O)C=C1)=O PI-37424 [1,1,0,0,0,0|1,0,0]=3 836 B10R1.13 CC(c1ccc(cc1)Cl)O PI-11234 [1,1,0,0,0,0|1,0,1]=4 837 B10R1.13 CC1=CC=C(C=C1)C(=N)N PI-29803 [1,1,0,0,0,0|2,0,0]=4 838 B10R1.13 CC1=CC=C(C=C1)C(=O)C PI-32267 [1,1,0,0,0,0|1,0,0]=3 839 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl PI-34220 [1,1,0,0,0,0|1,0,0]=3 840 B10R1.13 CC1=CC=C(C=C1)C(=S)N PI-30352 [1,1,0,0,0,0|1,1,0]=4 841 B10R1.13 CC1=CC=C(C=C1)C(C)O PI-32578 [1,1,0,0,0,0|1,0,1]=4 842 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O PI-49806 [1,1,0,0,0,0|1,0,1]=4 843 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O PI-49807 [1,1,0,0,0,0|1,0,1]=4 844 B10R1.13 CC1=NC=C(C=C1)C(=O)C PI-34864 [1,1,0,0,0,0|2,0,0]=4 845 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 PI-37362 [1,1,0,0,0,0|1,0,1]=4 846 B10R1.13 C[C@@H](c1ccc(cc1)Cl)O PI-36982 [1,1,0,0,0,0|1,0,1]=4 847 B10R1.13 C[C@H](C1=CC=C(C=C1)O)O PI-49819 [1,1,0,0,0,0|1,0,1]=4 848 B10R1.13 C[C@H](c1ccc(cc1)Cl)O PI-36954 [1,1,0,0,0,0|1,0,1]=4 849 B10R1.13 Cc1ccc(cc1)S(=O)O PI-38460 [1,1,0,0,0,0|1,0,0]=3 850 B10R1.13 Cc1ccc(cn1)C(=O)O PI-16698 [1,1,0,0,0,0|1,0,0]=3 851 B10R1.13 Cc1cnc(cn1)C(=O)O PI-16774 [1,1,0,0,0,0|2,0,0]=4 852 B10R1.13 Cc1ncc(cn1)C(=O)O PI-36501 [1,1,0,0,0,0|2,0,0]=4 853 B10R1.13 ClC(=O)c1ccc(Cl)cc1 PI-34309 [1,1,0,0,0,0|1,0,0]=3 854 B10R1.13 ClC(=O)c1ccc(cc1)Br PI-11966 [1,1,0,0,0,0|1,0,0]=3 855 B10R1.13 ClC(=O)c1ccc(cc1)C PI-32402 [1,1,0,0,0,0|1,0,0]=3 856 B10R1.13 Clc1ccc(cc1)B(O)O PI-10311 [1,1,0,0,0,0|1,0,1]=4 857 B10R1.13 Clc1ccc(cn1)C(=O)Cl PI-12964 [1,1,0,0,0,0|2,0,0]=4 858 B10R1.13 Fc1ccc(cc1)B(O)O PI-31092 [1,1,0,0,0,0|1,0,1]=4 859 B10R1.13 Fc1ccc(cc1)C(=O)O PI-16490 [1,1,0,0,0,0|0,0,0]=2 860 B10R1.13 Fc1ccc(cc1)C(C)O PI-32580 [1,1,0,0,0,0|1,0,1]=4 861 B10R1.13 Fc1ccc(cc1)[N+](=O)[O-] PI-33135 [1,1,0,0,0,0|1,0,1]=4 862 B10R1.13 IC1=CC=C(B(O)O)C=C1 PI-33000 [1,1,0,0,0,0|1,0,1]=4 863 B10R1.13 NC(=N)c1ccc(cc1)Cl PI-30146 [1,1,0,0,0,0|2,0,0]=4 864 B10R1.13 NC(=O)c1ccc(cc1)Br PI-30860 [1,1,0,0,0,0|1,0,0]=3 865 B10R1.13 NC(=S)c1ccc(cc1)Cl PI-30378 [1,1,0,0,0,0|1,1,0]=4 866 B10R1.13 NC(=S)c1ccc(cc1)O PI-20877 [1,1,0,0,0,0|1,1,0]=4 867 B10R1.13 Nc1ccc(cc1)B(O)O PI-31529 [1,1,0,0,0,0|1,0,1]=4 868 B10R1.13 Nc1ccc(cc1)C(=O)N PI-38043 [1,1,0,0,0,0|1,0,0]=3 869 B10R1.13 Nc1ccc(nc1)C(=O)N PI-36522 [1,1,0,0,0,0|2,0,0]=4 870 B10R1.13 Nc1ccc(nc1)C(=O)O PI-10173 [1,1,0,0,0,0|1,0,0]=3 871 B10R1.13 O=C(N)C1=CC=C(I)C=C1 PI-41985 [1,1,0,0,0,0|1,0,0]=3 872 B10R1.13 O=C(N)C1=CN=C(C)C=C1 PI-37349 [1,1,0,0,0,0|2,0,0]=4 873 B10R1.13 O=[S@@](C1=CC=C(C)C=C1)N PI-41430 [1,1,0,0,0,0|2,0,0]=4 874 B10R1.13 O=[S@](C1=CC=C(C)C=C1)N PI-41427 [1,1,0,0,0,0|2,0,0]=4 875 B10R1.13 OB(c1ccc(cc1)C)O PI-35795 [1,1,0,0,0,0|1,0,1]=4 876 B10R1.13 OC(=O)c1ccc(nn1)Cl PI-38350 [1,1,0,0,0,0|2,0,0]=4 877 B10R1.13 OC(=O)c1cnc(cn1)Cl PI-38333 [1,1,0,0,0,0|2,0,0]=4 878 B10R1.13 Oc1ccc(cc1)C(=N)N PI-20730 [1,1,0,0,0,0|2,0,0]=4 879 B10R1.13 Oc1ccc(nn1)C(=O)O PI-14659 [1,1,0,0,0,0|2,0,0]=4 880 B10R1.13 Sc1ccc(cc1)[N+](=O)[O-] PI-21365 [1,1,0,0,0,0|1,0,1]=4 881 B10R1.13 [O-]C1=CC=C([N+]([O-])=O)C=C1 PI-37341 [1,1,0,0,0,0|1,0,1]=4 882 B10R1.15 BrCC(=O)c1ccccn1 PI-20524 [1,1,0,0,0,0|2,0,0]=4 883 B10R1.15 BrCC(=O)c1ccncc1 PI-20526 [1,1,0,0,0,0|2,0,0]=4 884 B10R1.15 C1=CC(=CN=C1)C(=NO)N PI-34835 [1,1,0,0,0,0|2,0,0]=4 885 B10R1.15 C1=CC(=CN=C1)C(=O)CBr PI-20525 [1,1,0,0,0,0|2,0,0]=4 886 B10R1.15 C1=CC=C(C=C1)C(=O)C#N PI-11000 [1,1,0,0,0,0|1,0,0]=3 887 B10R1.15 C1=CC=C(C=C1)C(=O)C=O PI-30054 [1,1,0,0,0,0|0,0,1]=3 888 B10R1.15 C1=CC=C(C=C1)C(=O)NO PI-10934 [1,1,0,0,0,0|0,0,0]=2 889 B10R1.15 C1=CC=C(C=C1)C(C#N)O PI-38881 [1,1,0,0,0,0|1,0,1]=4 890 B10R1.15 C1=CC=C(C=C1)C(CCl)O PI-42549 [1,1,0,0,0,0|1,0,1]=4 891 B10R1.15 C1=CC=C(C=C1)C(CCl)O PI-42550 [1,1,0,0,0,0|1,0,1]=4 892 B10R1.15 C1=CC=C(C=C1)C(CN)O PI-30384 [1,1,0,0,0,0|1,0,1]=4 893 B10R1.15 C1=CC=C(C=C1)C(CO)O PI-19178 [1,1,0,0,0,0|0,0,2]=4 894 B10R1.15 C1=CC=NC(=C1)C(=O)NN PI-50236 [1,1,0,0,0,0|2,0,0]=4 895 B10R1.15 CC(=NO)C1=CC=CC=C1 PI-29764 [1,1,0,0,0,0|1,0,0]=3 896 B10R1.15 CCC(=O)c1ccncc1 PI-36821 [1,1,0,0,0,0|2,0,0]=4 897 B10R1.15 CCC(O)c1ccccc1 PI-31770 [1,1,0,0,0,0|1,0,1]=4 898 B10R1.15 CC[C@@H](C1=CC=CC=C1)O PI-49816 [1,1,0,0,0,0|1,0,1]=4 899 B10R1.15 CC[C@H](C1=CC=CC=C1)O PI-49815 [1,1,0,0,0,0|1,0,1]=4 900 B10R1.15 CNC(=O)c1ccccc1 PI-29765 [1,1,0,0,0,0|1,0,0]=3 901 B10R1.15 COC(=N)C1=CC=CC=C1 PI-19741 [1,1,0,0,0,0|1,0,0]=3 902 B10R1.15 COC(=N)C1=CC=CC=N1 PI-46993 [1,1,0,0,0,0|2,0,0]=4 903 B10R1.15 COC(=O)C1=CN=CC=C1 PI-33274 [1,1,0,0,0,0|1,0,0]=3 904 B10R1.15 COC(=O)C1=NC=CC=N1 PI-42078 [1,1,0,0,0,0|2,0,0]=4 905 B10R1.15 COC(=O)C1=NC=CN=C1 PI-30782 [1,1,0,0,0,0|2,0,0]=4 906 B10R1.15 COC(=O)c1ccccn1 PI-33273 [1,1,0,0,0,0|1,0,0]=3 907 B10R1.15 COC(=O)c1ccncn1 PI-36498 [1,1,0,0,0,0|2,0,0]=4 908 B10R1.15 NCC(=O)c1ccccc1 PI-29691 [1,1,0,0,0,0|1,0,0]=3 909 B10R1.15 NCC(O)c1ccccc1 PI-17268 [1,1,0,0,0,0|1,0,1]=4 910 B10R1.15 NC[C@H](c1ccccc1)O PI-30721 [1,1,0,0,0,0|1,0,1]=4 911 B10R1.15 NNC(=O)c1cccnc1 PI-18681 [1,1,0,0,0,0|2,0,0]=4 912 B10R1.15 OC(C1=CC=CC=C1)CO PI-39570 [1,1,0,0,0,0|0,0,2]=4 913 B10R1.15 OCC(=O)c1ccccc1 PI-11851 [1,1,0,0,0,0|0,0,0]=2 914 B10R1.15 OC[C@@H](N)c1ccccc1 PI-16634 [1,1,0,0,0,0|1,0,1]=4 915 B10R1.15 OC[C@@H](c1ccccc1)N PI-16633 [1,1,0,0,0,0|1,0,1]=4 916 B10R1.15 OC[C@H](c1ccccc1)O PI-17035 [1,1,0,0,0,0|0,0,2]=4 917 B10R1.15 O\N=C(/c1ccccc1)\Cl PI-23127 [1,1,0,0,0,0|1,0,0]=3 918 B10R1.15 O\N=C(\c1ccccc1)/N PI-14770 [1,1,0,0,0,0|1,0,0]=3 919 B10R1.28 C1=CC=C(C=C1)S(=O)(=O)[O-] PI-17596 [1,1,0,0,0,0|1,0,1]=4 920 B10R1.28 CC(O)(C1=CC=CC=C1)C PI-37326 [1,1,0,0,0,0|1,0,1]=4 921 B10R1.28 CP(=O)(C1=CC=CC=C1)O PI-30611 [1,1,0,0,0,0|1,0,0]=3 922 B10R1.28 CS(=O)(=O)c1ccccc1 PI-24312 [1,1,0,0,0,0|1,0,1]=4 923 B10R1.28 OS(=O)(=O)c1cccnc1 PI-33168 [1,1,0,0,0,0|2,0,0]=4 924 B10R1.28 OS(=O)(=O)c1ccncc1 PI-40970 [1,1,0,0,0,0|2,0,0]=4 925 B10R1.113 B(C1=CC(=CC=C1)Br)(O)O PI-25960 [1,1,0,0,0,0|1,0,1]=4 926 B10R1.113 B(C1=CC(=CC=C1)C)(O)O PI-11574 [1,1,0,0,0,0|1,0,1]=4 927 B10R1.113 B(C1=CC(=CC=C1)N)(O)O PI-25874 [1,1,0,0,0,0|1,0,1]=4 928 B10R1.113 B(C1=CC(=CC=C1)N)(O)O PI-30837 [1,1,0,0,0,0|1,0,1]=4 929 B10R1.113 B(C1=CC(=CC=C1)O)(O)O PI-25936 [1,1,0,0,0,0|1,0,1]=4 930 B10R1.113 Brc1cccc(c1)C(=N)N PI-30204 [1,1,0,0,0,0|2,0,0]=4 931 B10R1.113 Brc1cccc(c1)C(=O)Cl PI-11911 [1,1,0,0,0,0|1,0,0]=3 932 B10R1.113 Brc1cccc(c1)C(=O)O PI-12741 [1,1,0,0,0,0|0,0,0]=2 933 B10R1.113 Brc1cccc(c1)[N+](=O)[O-] PI-13640 [1,1,0,0,0,0|1,0,1]=4 934 B10R1.113 Brc1cccc(n1)C(=O)O PI-16042 [1,1,0,0,0,0|1,0,0]=3 935 B10R1.113 Brc1nccc(c1)C(=O)O PI-28742 [1,1,0,0,0,0|1,0,0]=3 936 B10R1.113 C1=C(C=NC=C1Br)C(=O)O PI-22834 [1,1,0,0,0,0|1,0,0]=3 937 B10R1.113 C1=C(C=NC=C1Cl)C(=O)O PI-13096 [1,1,0,0,0,0|1,0,0]=3 938 B10R1.113 C1=C(C=NC=C1F)C(=O)O PI-19548 [1,1,0,0,0,0|1,0,0]=3 939 B10R1.113 C1=C(C=NC=C1N)C(=O)O PI-10028 [1,1,0,0,0,0|1,0,0]=3 940 B10R1.113 C1=CC(=CC(=C1)Br)C(=S)N PI-22613 [1,1,0,0,0,0|1,1,0]=4 941 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)Cl PI-12189 [1,1,0,0,0,0|1,0,0]=3 942 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)N PI-23129 [1,1,0,0,0,0|1,0,0]=3 943 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)O PI-34230 [1,1,0,0,0,0|0,0,0]=2 944 B10R1.113 C1=CC(=CC(=C1)Cl)C(=S)N PI-15665 [1,1,0,0,0,0|1,1,0]=4 945 B10R1.113 C1=CC(=CC(=C1)F)C(=O)Cl PI-12124 [1,1,0,0,0,0|1,0,0]=3 946 B10R1.113 C1=CC(=CC(=C1)F)C(=O)O PI-10427 [1,1,0,0,0,0|0,0,0]=2 947 B10R1.113 C1=CC(=CC(=C1)F)C(=O)[O-] PI-28584 [1,1,0,0,0,0|0,0,1]=3 948 B10R1.113 C1=CC(=C[N+](=C1)[O-])C(=O)N PI-14714 [1,1,0,0,0,0|2,0,0]=4 949 B10R1.113 C1=CC(=NC(=C1)N)C(=O)O PI-24258 [1,1,0,0,0,0|1,0,0]=3 950 B10R1.113 C1=CN=C(C=C1Br)C(=O)O PI-35911 [1,1,0,0,0,0|1,0,0]=3 951 B10R1.113 C1=CN=C(C=C1C(=O)O)Cl PI-16713 [1,1,0,0,0,0|1,0,0]=3 952 B10R1.113 C1=CN=C(C=C1C(=O)O)N PI-28116 [1,1,0,0,0,0|1,0,0]=3 953 B10R1.113 C1=CN=C(C=C1Cl)C(=O)Cl PI-33856 [1,1,0,0,0,0|2,0,0]=4 954 B10R1.113 C1=CN=C(C=C1Cl)C(=O)O PI-34707 [1,1,0,0,0,0|1,0,0]=3 955 B10R1.113 C1=CN=C(N=C1C(=O)O)Cl PI-41170 [1,1,0,0,0,0|2,0,0]=4 956 B10R1.113 C1=CNC(=CC1=O)C(=O)O PI-34877 [1,1,0,0,0,0|1,0,0]=3 957 B10R1.113 C1=CNC(=O)C=C1C(=O)O PI-28282 [1,1,0,0,0,0|1,0,0]=3 958 B10R1.113 CC(=O)C1=CC(=CC=C1)I PI-29141 [1,1,0,0,0,0|1,0,0]=3 959 B10R1.113 CC(=O)C1=CC(=CN=C1)Br PI-26605 [1,1,0,0,0,0|2,0,0]=4 960 B10R1.113 CC(C1=CC(=CC=C1)Br)O PI-19679 [1,1,0,0,0,0|1,0,1]=4 961 B10R1.113 CC(C1=CC(=CC=C1)Cl)O PI-32583 [1,1,0,0,0,0|1,0,1]=4 962 B10R1.113 CC(C1=CC(=CC=C1)F)O PI-32581 [1,1,0,0,0,0|1,0,1]=4 963 B10R1.113 CC1=CC(=CC=C1)C(=N)N PI-30283 [1,1,0,0,0,0|2,0,0]=4 964 B10R1.113 CC1=CC(=CC=C1)C(=O)C PI-10859 [1,1,0,0,0,0|1,0,0]=3 965 B10R1.113 CC1=CC(=CC=C1)[C@@H](C)O PI-49835 [1,1,0,0,0,0|1,0,1]=4 966 B10R1.113 CC1=CC(=CN=C1)C(=O)O PI-13102 [1,1,0,0,0,0|1,0,0]=3 967 B10R1.113 CC1=NC(=CC=C1)C(=O)O PI-31796 [1,1,0,0,0,0|1,0,0]=3 968 B10R1.113 CC1=NC=CC(C(C)=O)=C1 PI-46770 [1,1,0,0,0,0|2,0,0]=4 969 B10R1.113 C[C@@H](C1=CC(=CC=C1)Br)O PI-49804 [1,1,0,0,0,0|1,0,1]=4 970 B10R1.113 C[C@@H](O)C1=CC=CC(Br)=C1 PI-37056 [1,1,0,0,0,0|1,0,1]=4 971 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N PI-17447 [1,1,0,0,0,0|2,0,0]=4 972 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)O PI-17996 [1,1,0,0,0,0|1,0,0]=3 973 B10R1.113 C[n+]1cccc(c1)C(=O)[O-] PI-39076 [1,1,0,0,0,0|1,0,1]=4 974 B10R1.113 Cc1nccc(n1)C(=O)O PI-36794 [1,1,0,0,0,0|2,0,0]=4 975 B10R1.113 Clc1cccc(c1)B(O)O PI-11573 [1,1,0,0,0,0|1,0,1]=4 976 B10R1.113 Clc1cccc(n1)C(=O)O PI-10178 [1,1,0,0,0,0|1,0,0]=3 977 B10R1.113 Clc1nccc(c1)C(=O)C PI-38296 [1,1,0,0,0,0|2,0,0]=4 978 B10R1.113 Fc1cccc(c1)B(O)O PI-23443 [1,1,0,0,0,0|1,0,1]=4 979 B10R1.113 Fc1cccc(c1)C(=O)C PI-28549 [1,1,0,0,0,0|1,0,0]=3 980 B10R1.113 Fc1cccc(c1)[N+](=O)[O-] PI-16966 [1,1,0,0,0,0|1,0,1]=4 981 B10R1.113 Fc1cccc(n1)C(=O)O PI-34433 [1,1,0,0,0,0|1,0,0]=3 982 B10R1.113 Fc1nccc(c1)C(=O)O PI-19547 [1,1,0,0,0,0|1,0,0]=3 983 B10R1.113 Ic1cccc(c1)C(=O)O PI-12091 [1,1,0,0,0,0|0,0,0]=2 984 B10R1.113 Ic1nccc(c1)C(=O)O PI-36519 [1,1,0,0,0,0|1,0,0]=3 985 B10R1.113 NC(=O)c1cc(Br)cnc1 PI-30430 [1,1,0,0,0,0|2,0,0]=4 986 B10R1.113 NC(C1=CC=CC(O)=C1)=S PI-20876 [1,1,0,0,0,0|1,1,0]=4 987 B10R1.113 Nc1cccc(c1)B(O)O PI-16837 [1,1,0,0,0,0|1,0,1]=4 988 B10R1.113 Nc1cccc(c1)C(=O)C PI-32567 [1,1,0,0,0,0|1,0,0]=3 989 B10R1.113 Nc1cccc(c1)C(=O)N PI-30514 [1,1,0,0,0,0|1,0,0]=3 990 B10R1.113 O=C(C1=CC(C)=NC=C1)O PI-36276 [1,1,0,0,0,0|1,0,0]=3 991 B10R1.113 O=C(C1=CC(C=CO1)=O)O PI-40052 [1,1,0,0,0,0|1,0,0]=3 992 B10R1.113 O=C(C1=NC(Cl)=CN=C1)O PI-37167 [1,1,0,0,0,0|2,0,0]=4 993 B10R1.113 OC(=O)c1cc(Cl)nnc1 PI-38264 [1,1,0,0,0,0|2,0,0]=4 994 B10R1.113 OC(=O)c1cccc(O)n1 PI-16038 [1,1,0,0,0,0|1,0,0]=3 995 B10R1.113 Oc1cccc(c1)C(=O)C PI-31363 [1,1,0,0,0,0|1,0,0]=3 996 B10R1.113 Oc1cccc(c1)C(=O)N PI-30785 [1,1,0,0,0,0|1,0,0]=3 997 B10R1.113 Oc1cccc(c1)C(=O)O PI-33399 [1,1,0,0,0,0|0,0,0]=2 998 B10R1.113 Oc1cccc(c1)[N+](=O)[O-] PI-11942 [1,1,0,0,0,0|1,0,1]=4 999 B10R1.113 Oc1cncc(c1)C(=O)O PI-10172 [1,1,0,0,0,0|1,0,0]=3 1000 B10R1.113 Oc1ncnc(c1)C(=O)O PI-31803 [1,1,0,0,0,0|2,0,0]=4 1001 B10R1.113 S=C(N)C1=CC=CC(C)=C1 PI-19344 [1,1,0,0,0,0|1,1,0]=4 1002 B10R1.2 C1=CC(=C(C(=C1)Br)O)C=O PI-27283 [1,1,0,0,0,0|0,0,0]=2 1003 B10R1.2 C1=CC(=C(C(=C1)F)Cl)C=O PI-28939 [1,1,0,0,0,0|1,0,0]=3 1004 B10R1.2 C1=CC(=C(C(=C1)F)F)C=O PI-28322 [1,1,0,0,0,0|1,0,0]=3 1005 B10R1.2 C1=CC(=C(C(=C1)F)F)CO PI-21147 [1,1,0,0,0,0|1,0,1]=4 1006 B10R1.2 C1=CC(=C(C(=C1)F)O)C=O PI-18520 [1,1,0,0,0,0|0,0,0]=2 1007 B10R1.2 C1=CN=C(C(=C1C=O)Cl)Cl PI-41929 [1,1,0,0,0,0|2,0,0]=4 1008 B10R1.2 CC1=C(C(=CC=C1)C=O)C PI-10267 [1,1,0,0,0,0|1,0,0]=3 1009 B10R1.2 CC1=C(C=CC=C1F)C=O PI-28157 [1,1,0,0,0,0|1,0,0]=3 1010 B10R1.2 CC1=C(C=CC=C1N)CO PI-44883 [1,1,0,0,0,0|1,0,1]=4 1011 B10R1.2 CC1=C(C=CC=C1N)CO PI-44908 [1,1,0,0,0,0|1,0,1]=4 1012 B10R1.2 COc1cccc(c1O)O PI-19986 [1,1,0,0,0,0|2,0,0]=4 1013 B10R1.2 N#Cc1cccc(c1O)O PI-31955 [1,1,0,0,0,0|1,0,1]=4 1014 B10R1.2 O=CC1=CC=CC(F)=C1Br PI-28928 [1,1,0,0,0,0|1,0,0]=3 1015 B10R1.2 O=CC1=CC=CC(F)=C1I PI-28940 [1,1,0,0,0,0|1,0,0]=3 1016 B10R1.2 O=Cc1cccc(Br)c1F PI-36808 [1,1,0,0,0,0|1,0,0]=3 1017 B10R1.2 O=Cc1cccc(C)c1F PI-28944 [1,1,0,0,0,0|1,0,0]=3 1018 B10R1.2 O=Cc1cccc(C)c1O PI-27937 [1,1,0,0,0,0|0,0,0]=2 1019 B10R1.2 O=Cc1cccc(Cl)c1Cl PI-12552 [1,1,0,0,0,0|1,0,0]=3 1020 B10R1.2 O=Cc1cccc(Cl)c1O PI-26254 [1,1,0,0,0,0|0,0,0]=2 1021 B10R1.2 O=Cc1cccc(O)c1O PI-21380 [1,1,0,0,0,0|0,0,0]=2 1022 B10R1.2 O=Cc1cccc(c1F)Cl PI-28866 [1,1,0,0,0,0|1,0,0]=3 1023 B10R1.4 C1=CC=C(C(=C1)C=NN)O PI-27488 [1,1,0,0,0,0|1,0,0]=3 1024 B10R1.4 C1=CC=C(C(=C1)C=NO)Br PI-27497 [1,1,0,0,0,0|1,0,0]=3 1025 B10R1.4 C1=CC=C(C(=C1)C=NO)Cl PI-23126 [1,1,0,0,0,0|1,0,0]=3 1026 B10R1.4 C1=CC=C(C(=C1)CCO)F PI-23810 [1,1,0,0,0,0|1,0,1]=4 1027 B10R1.4 C1=CC=C(C(=C1)N=C=O)Br PI-14503 [1,1,0,0,0,0|1,0,1]=4 1028 B10R1.4 C1=CC=C(C(=C1)N=C=O)Cl PI-11418 [1,1,0,0,0,0|1,0,1]=4 1029 B10R1.4 C=CCC1=CC=CC=C1O PI-46039 [1,1,0,0,0,0|1,0,0]=3 1030 B10R1.4 CC1=CC=CC=C1N=C=O PI-11410 [1,1,0,0,0,0|1,0,1]=4 1031 B10R1.4 C[N+]1=CC=CC=C1C=NO PI-17371 [1,1,0,0,0,0|2,0,0]=4 1032 B10R1.4 NOCc1ccccc1Cl PI-39246 [1,1,0,0,0,0|1,0,1]=4 1033 B10R1.4 O=C=Nc1ccccc1F PI-26192 [1,1,0,0,0,0|1,0,1]=4 1034 B10R1.20 C#CC1=CC=CC=C1C=O PI-26604 [1,1,0,0,0,0|1,0,0]=3 1035 B10R1.20 C#Cc1ccccc1OC PI-30918 [1,1,0,0,0,0|1,0,1]=4 1036 B10R1.20 C1=CC=C(C(=C1)C=O)C#N PI-11835 [1,1,0,0,0,0|1,0,0]=3 1037 B10R1.20 C1=CC=C(C(=C1)CO)CO PI-11672 [1,1,0,0,0,0|0,0,1]=3 1038 B10R1.20 CCC1=CC=CC=C1C=O PI-35265 [1,1,0,0,0,0|1,0,0]=3 1039 B10R1.20 COC1=C(C=NC=C1)C=O PI-50082 [1,1,0,0,0,0|1,0,0]=3 1040 B10R1.20 COC1=CC=CC=C1CN PI-31715 [1,1,0,0,0,0|1,0,1]=4 1041 B10R1.20 COC1=CC=CC=C1NN PI-29852 [1,1,0,0,0,0|2,0,0]=4 1042 B10R1.20 COC1=CC=CC=C1NN PI-50513 [1,1,0,0,0,0|2,0,0]=4 1043 B10R1.20 COC1=CC=CC=C1SC PI-11860 [1,1,0,0,0,0|2,0,0]=4 1044 B10R1.20 COc1ccccc1CCl PI-34182 [1,1,0,0,0,0|1,0,1]=4 1045 B10R1.20 COc1ncccc1C=O PI-26862 [1,1,0,0,0,0|1,0,0]=3 1046 B10R1.20 CSC1=CC=CC=C1C=O PI-27861 [1,1,0,0,0,0|0,1,0]=3 1047 B10R1.20 N#Cc1ccccc1CO PI-38221 [1,1,0,0,0,0|1,0,1]=4 1048 B10R1.20 N#Cc1ccccc1OC PI-11857 [1,1,0,0,0,0|1,0,1]=4 1049 B10R1.20 O=Cc1ccccc1C=O PI-31254 [1,1,0,0,0,0|0,0,1]=3 1050 B10R1.25 C1=CC(=C(C=C1Br)Cl)C=O PI-38898 [1,1,0,0,0,0|1,0,0]=3 1051 B10R1.25 C1=CC(=C(C=C1Br)F)CO PI-14434 [1,1,0,0,0,0|1,0,1]=4 1052 B10R1.25 C1=CC(=C(C=C1Br)O)C#N PI-43950 [1,1,0,0,0,0|1,0,1]=4 1053 B10R1.25 C1=CC(=C(C=C1Cl)F)C=O PI-28681 [1,1,0,0,0,0|1,0,0]=3 1054 B10R1.25 C1=CC(=C(C=C1Cl)F)CO PI-40484 [1,1,0,0,0,0|1,0,1]=4 1055 B10R1.25 C1=CC(=C(C=C1F)Br)C=O PI-10440 [1,1,0,0,0,0|1,0,0]=3 1056 B10R1.25 C1=CC(=C(C=C1F)Cl)C=O PI-28857 [1,1,0,0,0,0|1,0,0]=3 1057 B10R1.25 C1=CC(=C(C=C1F)N)C=O PI-44252 [1,1,0,0,0,0|1,0,0]=3 1058 B10R1.25 C1=CC(=C(C=C1F)O)C=O PI-18485 [1,1,0,0,0,0|0,0,0]=2 1059 B10R1.25 C1=CC(=C(C=C1I)Br)C=O PI-26357 [1,1,0,0,0,0|1,0,0]=3 1060 B10R1.25 C1=CC(=C(C=C1I)F)C=O PI-28942 [1,1,0,0,0,0|1,0,0]=3 1061 B10R1.25 C1=CC(=C(C=C1N)N)C=O PI-44093 [1,1,0,0,0,0|1,0,0]=3 1062 B10R1.25 C1=CC(=C(C=C1O)O)CO PI-11751 [1,1,0,0,0,0|0,0,1]=3 1063 B10R1.25 CC1=C(C=CC(=C1)F)C=O PI-10459 [1,1,0,0,0,0|1,0,0]=3 1064 B10R1.25 CC1=CC(=C(C=C1)C=O)Br PI-26931 [1,1,0,0,0,0|1,0,0]=3 1065 B10R1.25 CC1=CC(=C(C=C1)C=O)F PI-31460 [1,1,0,0,0,0|1,0,0]=3 1066 B10R1.25 CC1=CC(=C(C=C1)CO)N PI-26925 [1,1,0,0,0,0|1,0,1]=4 1067 B10R1.25 CC1=CC(=CN=C1C=O)Br PI-41887 [1,1,0,0,0,0|2,0,0]=4 1068 B10R1.25 CCC1=C(C=C(C=C1)O)O PI-27436 [1,1,0,0,0,0|1,0,1]=4 1069 B10R1.25 COC1=C(C=C(C=C1)F)O PI-34264 [1,1,0,0,0,0|2,0,0]=4 1070 B10R1.25 COC1=C(O)C=C(N)C=C1 PI-27246 [1,1,0,0,0,0|2,0,0]=4 1071 B10R1.25 ClC1=CC(=C(C=O)C=C1)O PI-26343 [1,1,0,0,0,0|0,0,0]=2 1072 B10R1.25 ClC1=NC(=CC=C1C=O)Cl PI-41418 [1,1,0,0,0,0|2,0,0]=4 1073 B10R1.25 FC1=C(C=O)C=CC(=C1)O PI-28419 [1,1,0,0,0,0|1,0,0]=3 1074 B10R1.25 N#Cc1ccc(O)cc1O PI-11750 [1,1,0,0,0,0|1,0,1]=4 1075 B10R1.25 NC1=C(C=O)C=CC(=C1)Br PI-41093 [1,1,0,0,0,0|1,0,0]=3 1076 B10R1.25 O=CC1=CC=C(F)C=C1F PI-16892 [1,1,0,0,0,0|1,0,0]=3 1077 B10R1.25 O=Cc1ccc(Br)cc1F PI-31236 [1,1,0,0,0,0|1,0,0]=3 1078 B10R1.25 O=Cc1ccc(C)cc1O PI-20805 [1,1,0,0,0,0|0,0,0]=2 1079 B10R1.25 O=Cc1ccc(O)cc1Cl PI-10303 [1,1,0,0,0,0|1,0,0]=3 1080 B10R1.25 O=Cc1ccc(O)cc1O PI-11749 [1,1,0,0,0,0|0,0,0]=2 1081 B10R1.25 O=Cc1ccc(cc1Br)Cl PI-36966 [1,1,0,0,0,0|1,0,0]=3 1082 B10R1.25 O=Cc1ccc(cc1C)C PI-27218 [1,1,0,0,0,0|1,0,0]=3 1083 B10R1.25 O=Cc1ccc(cc1C)Cl PI-27562 [1,1,0,0,0,0|1,0,0]=3 1084 B10R1.25 O=Cc1ccc(cc1O)Br PI-26320 [1,1,0,0,0,0|0,0,0]=2 1085 B10R1.25 OC1=CC(=C(C=O)C=C1)C PI-18542 [1,1,0,0,0,0|1,0,0]=3 1086 B10R1.25 OCc1ccc(Cl)cc1Cl PI-12129 [1,1,0,0,0,0|1,0,1]=4 1087 B10R1.25 OCc1ccc(F)cc1F PI-28645 [1,1,0,0,0,0|1,0,1]=4 1088 B10R1.25 OCc1ccc(cc1Br)F PI-39278 [1,1,0,0,0,0|1,0,1]=4 1089 B10R1.25 OCc1ccc(cc1C)C PI-38556 [1,1,0,0,0,0|1,0,1]=4 1090 B10R1.30 C1=C(Br)C=CC(=C1CO)O PI-12023 [1,1,0,0,0,0|0,0,1]=3 1091 B10R1.30 C1=CC(=C(C=C1Br)C=O)Br PI-27892 [1,1,0,0,0,0|1,0,0]=3 1092 B10R1.30 C1=CC(=C(C=C1Br)C=O)Cl PI-33366 [1,1,0,0,0,0|1,0,0]=3 1093 B10R1.30 C1=CC(=C(C=C1Br)C=O)F PI-31330 [1,1,0,0,0,0|1,0,0]=3 1094 B10R1.30 C1=CC(=C(C=C1Br)C=O)O PI-29253 [1,1,0,0,0,0|0,0,0]=2 1095 B10R1.30 C1=CC(=C(C=C1Br)CO)F PI-14437 [1,1,0,0,0,0|1,0,1]=4 1096 B10R1.30 C1=CC(=C(C=C1Br)CO)N PI-46965 [1,1,0,0,0,0|1,0,1]=4 1097 B10R1.30 C1=CC(=C(C=C1Cl)C#N)O PI-44911 [1,1,0,0,0,0|1,0,1]=4 1098 B10R1.30 C1=CC(=C(C=C1Cl)C=O)Cl PI-16092 [1,1,0,0,0,0|1,0,0]=3 1099 B10R1.30 C1=CC(=C(C=C1Cl)C=O)F PI-10455 [1,1,0,0,0,0|1,0,0]=3 1100 B10R1.30 C1=CC(=C(C=C1Cl)C=O)O PI-12029 [1,1,0,0,0,0|0,0,0]=2 1101 B10R1.30 C1=CC(=C(C=C1Cl)CO)Cl PI-30501 [1,1,0,0,0,0|1,0,1]=4 1102 B10R1.30 C1=CC(=C(C=C1Cl)CO)O PI-12028 [1,1,0,0,0,0|0,0,1]=3 1103 B10R1.30 C1=CC(=C(C=C1F)C=O)Br PI-28896 [1,1,0,0,0,0|1,0,0]=3 1104 B10R1.30 C1=CC(=C(C=C1F)C=O)Cl PI-10456 [1,1,0,0,0,0|1,0,0]=3 1105 B10R1.30 C1=CC(=C(C=C1F)C=O)N PI-44253 [1,1,0,0,0,0|1,0,0]=3 1106 B10R1.30 C1=CC(=C(C=C1F)C=O)O PI-10579 [1,1,0,0,0,0|0,0,0]=2 1107 B10R1.30 C1=CC(=C(C=C1F)CO)Br PI-42946 [1,1,0,0,0,0|1,0,1]=4 1108 B10R1.30 C1=CC(=C(C=C1F)CO)F PI-33073 [1,1,0,0,0,0|1,0,1]=4 1109 B10R1.30 C1=CC(=C(C=C1I)C=O)F PI-31572 [1,1,0,0,0,0|1,0,0]=3 1110 B10R1.30 C1=CC(=C(C=C1I)C=O)O PI-27272 [1,1,0,0,0,0|0,0,0]=2 1111 B10R1.30 C1=CC(=C(C=C1I)CO)Br PI-41207 [1,1,0,0,0,0|1,0,1]=4 1112 B10R1.30 CC1=C(C=C(C=C1)F)C=O PI-10582 [1,1,0,0,0,0|1,0,0]=3 1113 B10R1.30 CC1=CC(=C(C=C1)C)C=O PI-27729 [1,1,0,0,0,0|1,0,0]=3 1114 B10R1.30 CC1=CC(=C(C=C1)F)C=O PI-10457 [1,1,0,0,0,0|1,0,0]=3 1115 B10R1.30 CCC1=C(C=CC(=C1)O)O PI-19340 [1,1,0,0,0,0|1,0,1]=4 1116 B10R1.30 COC1=C(O)C=CC(F)=C1 PI-27601 [1,1,0,0,0,0|2,0,0]=4 1117 B10R1.30 N#Cc1cc(Br)ccc1O PI-21509 [1,1,0,0,0,0|1,0,1]=4 1118 B10R1.30 O=CC1=CC(Br)=CC=C1N PI-46730 [1,1,0,0,0,0|1,0,0]=3 1119 B10R1.30 O=Cc1cc(Br)ccc1I PI-26850 [1,1,0,0,0,0|1,0,0]=3 1120 B10R1.30 O=Cc1cc(Br)cnc1F PI-39542 [1,1,0,0,0,0|2,0,0]=4 1121 B10R1.30 O=Cc1cc(C)ccc1O PI-10857 [1,1,0,0,0,0|0,0,0]=2 1122 B10R1.30 O=Cc1cc(Cl)ccc1Br PI-33350 [1,1,0,0,0,0|1,0,0]=3 1123 B10R1.30 O=Cc1cc(Cl)ccc1N PI-18302 [1,1,0,0,0,0|1,0,0]=3 1124 B10R1.30 O=Cc1cc(Cl)cnc1Cl PI-39057 [1,1,0,0,0,0|2,0,0]=4 1125 B10R1.30 O=Cc1cc(F)ccc1F PI-10418 [1,1,0,0,0,0|1,0,0]=3 1126 B10R1.30 O=Cc1cc(O)ccc1Br PI-27441 [1,1,0,0,0,0|1,0,0]=3 1127 B10R1.30 O=Cc1cc(O)ccc1O PI-18118 [1,1,0,0,0,0|0,0,0]=2 1128 B10R1.30 OCc1cc(Cl)ccc1Br PI-35234 [1,1,0,0,0,0|1,0,1]=4 1129 B10R1.245 C1=CC(=C(C(=C1)Br)C=O)Cl PI-35930 [1,1,0,0,0,0|1,0,0]=3 1130 B10R1.245 C1=CC(=C(C(=C1)Br)C=O)N PI-40830 [1,1,0,0,0,0|1,0,0]=3 1131 B10R1.245 C1=CC(=C(C(=C1)Cl)CO)Cl PI-32223 [1,1,0,0,0,0|1,0,1]=4 1132 B10R1.245 C1=CC(=C(C(=C1)Cl)CO)F PI-28646 [1,1,0,0,0,0|1,0,1]=4 1133 B10R1.245 C1=CC(=C(C(=C1)F)C#N)O PI-10696 [1,1,0,0,0,0|1,0,1]=4 1134 B10R1.245 C1=CC(=C(C(=C1)F)CO)F PI-28243 [1,1,0,0,0,0|1,0,1]=4 1135 B10R1.245 C1=CC(=C(C(=C1)I)C=O)F PI-10580 [1,1,0,0,0,0|1,0,0]=3 1136 B10R1.245 CC1=C(C(=CC=C1)C)C=O PI-27082 [1,1,0,0,0,0|1,0,0]=3 1137 B10R1.245 CC1=C(C(=CC=C1)C)CO PI-19775 [1,1,0,0,0,0|1,0,1]=4 1138 B10R1.245 CC1=CC=CC(Cl)=C1C=O PI-27105 [1,1,0,0,0,0|1,0,0]=3 1139 B10R1.245 COC1=C(C=CC=C1O)O PI-19401 [1,1,0,0,0,0|2,0,0]=4 1140 B10R1.245 O=CC1=C(Br)C=NC=C1Br PI-37353 [1,1,0,0,0,0|2,0,0]=4 1141 B10R1.245 O=CC1=C(O)C=CC=C1Br PI-37162 [1,1,0,0,0,0|0,0,0]=2 1142 B10R1.245 O=Cc1c(Br)cccc1Br PI-35931 [1,1,0,0,0,0|1,0,0]=3 1143 B10R1.245 O=Cc1c(Cl)cccc1Cl PI-31780 [1,1,0,0,0,0|1,0,0]=3 1144 B10R1.245 O=Cc1c(Cl)ccnc1Cl PI-39090 [1,1,0,0,0,0|2,0,0]=4 1145 B10R1.245 O=Cc1c(F)cccc1Br PI-28929 [1,1,0,0,0,0|1,0,0]=3 1146 B10R1.245 O=Cc1c(F)cccc1Cl PI-16953 [1,1,0,0,0,0|1,0,0]=3 1147 B10R1.245 O=Cc1c(F)cccc1F PI-28528 [1,1,0,0,0,0|1,0,0]=3 1148 B10R1.245 O=Cc1c(I)ccnc1Cl PI-36812 [1,1,0,0,0,0|2,0,0]=4 1149 B10R1.245 O=Cc1c(I)ccnc1F PI-34989 [1,1,0,0,0,0|2,0,0]=4 1150 B10R1.245 O=Cc1c(O)cccc1Cl PI-27285 [1,1,0,0,0,0|0,0,0]=2 1151 B10R1.245 O=Cc1c(O)cccc1F PI-27539 [1,1,0,0,0,0|0,0,0]=2 1152 B10R1.245 O=Cc1c(O)cccc1O PI-39426 [1,1,0,0,0,0|0,0,0]=2 1153 B10R1.39 COC1=CSC=C1C(=O)N PI-29830 [0,1,0,0,1,0|2,0,0]=4 1154 B10R1.39 COC1=CSC=C1C(=O)O PI-29870 [0,1,0,0,1,0|1,0,0]=3 1155 B10R1.39 CSC1=C(C=CS1)C(=O)O PI-29871 [0,1,0,0,1,0|1,1,0]=4 1156 B10R1.59 Brc1sc(c(c1)C(=O)O)Br PI-35047 [0,1,0,0,1,0|2,0,0]=4 1157 B10R1.59 CC1=C(OC(=C1)Br)C(=O)O PI-49746 [0,1,0,0,1,0|2,0,0]=4 1158 B10R1.59 CC1=CC(=C(N1)C(=O)O)C PI-31903 [0,1,0,0,1,0|2,0,0]=4 1159 B10R1.59 CC1=CC(=C(N1)C)C(=O)O PI-29708 [0,1,0,0,1,0|2,0,0]=4 1160 B10R1.59 Cc1sc(c(c1)C(=O)O)C PI-29415 [0,1,0,0,1,0|2,0,0]=4 1161 B10R1.59 Clc1sc(c(c1)C(=O)O)Cl PI-18502 [0,1,0,0,1,0|2,0,0]=4 1162 B10R1.149 CC1=C(OC=C1)C(=O)OC PI-30773 [0,1,0,0,1,0|2,0,0]=4 1163 B10R1.149 CC1=C(SC=C1)C(=O)OC PI-29927 [0,1,0,0,1,0|2,0,0]=4 1164 B10R1.149 CN1C=CC=C1C(=O)OC PI-31682 [0,1,0,0,1,0|2,0,0]=4 1165 B10R1.149 COC(=O)C1=C(C=CS1)Br PI-29410 [0,1,0,0,1,0|2,0,0]=4 1166 B10R1.149 COC(=O)C1=C(C=CS1)Cl PI-29957 [0,1,0,0,1,0|2,0,0]=4 1167 B10R1.149 COC(=O)c1ccsc1N PI-15241 [0,1,0,0,1,0|2,0,0]=4 1168 B10R1.149 COC(=O)c1cscc1N PI-29564 [0,1,0,0,1,0|2,0,0]=4 1169 B10R1.149 COC(=O)c1cscc1N PI-29848 [0,1,0,0,1,0|2,0,0]=4 1170 B10R1.149 COC(=O)c1sccc1N PI-31111 [0,1,0,0,1,0|2,0,0]=4 1171 B10R1.149 COC(=O)c1sccc1O PI-18017 [0,1,0,0,1,0|1,0,0]=3 1172 B10R1.149 O=C(C1=C(Br)SC=C1)OC PI-46673 [0,1,0,0,1,0|2,0,0]=4 1173 B10R1.149 O=C(C1=C(F)C=CS1)OC PI-36480 [0,1,0,0,1,0|2,0,0]=4 1174 B10R1.149 O=C(C1=CSC=C1Br)OC PI-46670 [0,1,0,0,1,0|2,0,0]=4 1175 B10R1.194 OC(=O)c1scc(Br)c1C PI-22179 [0,1,0,0,1,0|2,0,0]=4 1176 B12R1.75 C1=CC=C(C(=C1)CC(=O)O)C#N PI-48354 [0,1,0,0,0,1|1,0,0]=3 1177 B12R1.75 C1=CC=C(C(=C1)CC(=O)O)CCl PI-19992 [0,1,0,0,0,1|1,0,0]=3 1178 B12R1.75 C1=CC=C(C(=C1)CC(=O)O)CN PI-30676 [0,1,0,0,0,1|1,0,0]=3 1179 B12R1.75 CC(=O)CC1=CC=CC=C1OC PI-12199 [0,1,0,0,0,1|1,0,0]=3 1180 B12R1.75 CC(=O)OC1=CC=CC=C1OC PI-26163 [0,1,0,0,0,1|1,0,0]=3 1181 B12R1.75 CC(=O)OC1=CC=CC=C1OC PI-41862 [0,1,0,0,0,1|1,0,0]=3 1182 B12R1.75 CCC1=CC=CC=C1OC(=O)C PI-26541 [0,1,0,0,0,1|2,0,0]=4 1183 B12R1.75 COc1ccccc1CC(=O)O PI-37988 [0,1,0,0,0,1|0,0,0]=2 1184 B12R1.75 NCc1ccccc1CC(=O)O PI-30588 [0,1,0,0,0,1|1,0,0]=3 1185 B12R1.124 C1=CC=C(C(=C1)C(C(=O)O)Br)Cl PI-16780 [0,1,0,0,0,1|1,0,0]=3 1186 B12R1.124 C1=CC=C(C(=C1)C(C(=O)O)N)Br PI-30383 [0,1,0,0,0,1|1,0,0]=3 1187 B12R1.124 C1=CC=C(C(=C1)C(C(=O)O)N)Cl PI-11217 [0,1,0,0,0,1|1,0,0]=3 1188 B12R1.124 C1=CC=C(C(=C1)C(C(=O)O)N)Cl PI-11226 [0,1,0,0,0,1|1,0,0]=3 1189 B12R1.124 C1=CC=C(C(=C1)C(C(=O)O)N)Cl PI-13159 [0,1,0,0,0,1|1,0,0]=3 1190 B12R1.124 C1=CC=C(C(=C1)C(C(=O)O)O)Cl PI-11222 [0,1,0,0,0,1|1,0,0]=3 1191 B12R1.124 C1=CC=C(C(=C1)C(C(=O)O)O)Cl PI-11225 [0,1,0,0,0,1|1,0,0]=3 1192 B12R1.124 CC(C1=CC=CC=C1Cl)C(=O)O PI-16403 [0,1,0,0,0,1|1,0,0]=3 1193 B12R1.124 OC(=O)C(N)c1ccccc1O PI-36100 [0,1,0,0,0,1|0,0,0]=2 1194 B12R1.124 OC(=O)C(c1ccccc1Br)O PI-12128 [0,1,0,0,0,1|1,0,0]=3 1195 B12R1.124 OC(=O)C(c1ccccc1Cl)O PI-11216 [0,1,0,0,0,1|1,0,0]=3 1196 B12R1.124 OC(=O)C(c1ccccc1F)N PI-17020 [0,1,0,0,0,1|1,0,0]=3 1197 B12R1.124 OC(=O)[C@@H](c1ccccc1F)O PI-36868 [0,1,0,0,0,1|1,0,0]=3 1198 B12R1.127 C1=CC(=C(C=C1Br)CC(=O)O)F PI-30966 [0,1,0,0,0,1|1,0,0]=3 1199 B12R1.127 C1=CC(=C(C=C1F)CC(=O)O)Br PI-35231 [0,1,0,0,0,1|1,0,0]=3 1200 B12R1.127 CC(=O)Nc1cc(Cl)ccc1O PI-35020 [0,1,0,0,0,1|1,0,0]=3 1201 B12R1.127 CC1=CC(=C(C=C1)C)CC(=O)Cl PI-46967 [0,1,0,0,0,1|2,0,0]=4 1202 B12R1.127 CC1=CC(=C(C=C1)C)CC(=O)O PI-30128 [0,1,0,0,0,1|1,0,0]=3 1203 B12R1.127 CC1=CC(=C(C=C1)O)NC(=O)C PI-27815 [0,1,0,0,0,1|1,0,0]=3 1204 B12R1.127 Cc1ccc(F)cc1CC(=O)O PI-23762 [0,1,0,0,0,1|1,0,0]=3 1205 B12R1.127 OC(=O)Cc1cc(Cl)ccc1Br PI-20652 [0,1,0,0,0,1|1,0,0]=3 1206 B12R1.127 OC(=O)Cc1cc(F)ccc1F PI-13374 [0,1,0,0,0,1|1,0,0]=3 1207 B12R1.127 OC(=O)Cc1cc(O)ccc1O PI-30631 [0,1,0,0,0,1|0,0,0]=2 1208 B12R1.224 C1=CC(=C(C(=C1)F)F)CC(=O)O PI-21212 [0,1,0,0,0,1|1,0,0]=3 1209 B12R1.224 Cc1c(CC(=O)O)cccc1C PI-13241 [0,1,0,0,0,1|1,0,0]=3 1210 B12R1.233 C1=CC(=C(C=C1Cl)Cl)CC(=O)O PI-11746 [0,1,0,0,0,1|1,0,0]=3 1211 B12R1.233 C1=CC(=C(C=C1F)Br)CC(=O)O PI-44979 [0,1,0,0,0,1|1,0,0]=3 1212 B12R1.233 C1=CC(=C(C=C1F)Cl)CC(=O)O PI-30228 [0,1,0,0,0,1|1,0,0]=3 1213 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Br)F PI-28379 [0,1,0,0,0,1|2,0,0]=4 1214 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Br)I PI-50165 [0,1,0,0,0,1|2,0,0]=4 1215 B12R1.233 CC(=O)NC1=C(C=C(C=C1)F)Br PI-28019 [0,1,0,0,0,1|2,0,0]=4 1216 B12R1.233 CC(=O)NC1=C(C=C(C=C1)F)F PI-34148 [0,1,0,0,0,1|2,0,0]=4 1217 B12R1.233 CC(=O)NC1=C(C=C(C=C1)N)Cl PI-37796 [0,1,0,0,0,1|2,0,0]=4 1218 B12R1.233 CC1=C(C=CC(=C1)Cl)NC(=O)C PI-20149 [0,1,0,0,0,1|2,0,0]=4 1219 B12R1.233 CC1=CC(=C(C=C1)CC(=O)O)C PI-11754 [0,1,0,0,0,1|1,0,0]=3 1220 B12R1.233 OC(=O)Cc1ccc(cc1Br)Cl PI-38895 [0,1,0,0,0,1|1,0,0]=3 1221 B12R1.233 OC(=O)Cc1ccc(cc1F)Br PI-35230 [0,1,0,0,0,1|1,0,0]=3 1222 B12R1.233 OC(=O)Cc1ccc(cc1F)F PI-13373 [0,1,0,0,0,1|1,0,0]=3 1223 B12R1.371 C1=CC=C(C(=C1)CC(=O)NN)Cl PI-50255 [0,1,0,0,0,1|2,0,0]=4 1224 B12R1.371 C1=CC=C(C(=C1)CC(=O)NN)F PI-50405 [0,1,0,0,0,1|2,0,0]=4 1225 B12R1.371 CC1=CC=CC=C1CC(=O)OC PI-50422 [0,1,0,0,0,1|1,0,0]=3 1226 B12R1.371 COC(=O)CC1=CC=CC=C1Cl PI-30731 [0,1,0,0,0,1|1,0,0]=3 1227 B12R1.371 COC(=O)CC1=CC=CC=C1F PI-30730 [0,1,0,0,0,1|1,0,0]=3 1228 B12R1.371 COC(=O)CC1=CC=CC=C1O PI-50540 [0,1,0,0,0,1|0,0,0]=2 1229 B12R1.371 COC(=O)Cc1ccccc1Br PI-26756 [0,1,0,0,0,1|1,0,0]=3 1230 B12R1.1009 C1=CC(=C(C(=C1)Cl)CC(=O)O)Cl PI-21063 [0,1,0,0,0,1|1,0,0]=3 1231 B12R1.1009 C1=CC(=C(C(=C1)Cl)CC(=O)O)F PI-30548 [0,1,0,0,0,1|1,0,0]=3 1232 B12R1.1009 C1=CC(=C(C(=C1)F)CC(=O)O)F PI-13376 [0,1,0,0,0,1|1,0,0]=3 1233 B12R1.1009 CC(=O)NC1=C(C=CC=C1F)F PI-34150 [0,1,0,0,0,1|2,0,0]=4 1234 B12R1.46 B(C1=C(C=CC(=C1)C)OC)(O)O PI-27127 [0,2,0,0,0,0|1,0,1]=4 1235 B12R1.46 B(C1=C(C=CC(=C1)Cl)OC)(O)O PI-25962 [0,2,0,0,0,0|1,0,1]=4 1236 B12R1.46 B(C1=C(C=CC(=C1)F)OC)(O)O PI-25265 [0,2,0,0,0,0|1,0,1]=4 1237 B12R1.46 C1=CC(=C(C=C1Br)[N+](=O)[O-])CO PI-26328 [0,2,0,0,0,0|1,0,1]=4 1238 B12R1.46 C1=CC(=C(C=C1Cl)[N+](=O)[O-])CO PI-26327 [0,2,0,0,0,0|1,0,1]=4 1239 B12R1.46 CC(=O)C1=C(C=CC(=C1)Cl)OC PI-30816 [0,2,0,0,0,0|1,0,0]=3 1240 B12R1.46 CC(=O)C1=C(C=CC(=C1)F)OC PI-30626 [0,2,0,0,0,0|1,0,0]=3 1241 B12R1.46 CC1=CC(=C(C=C1)OC)C(=O)O PI-31512 [0,2,0,0,0,0|0,0,0]=2 1242 B12R1.46 CC1=CC(=C(C=C1)OC)[N+](=O)[O-] PI-26076 [0,2,0,0,0,0|1,0,1]=4 1243 B12R1.46 COC1=C(C=C(C=C1)Br)[N+](=O)[O-] PI-22192 [0,2,0,0,0,0|1,0,1]=4 1244 B12R1.46 COC1=C(C=C(C=C1)Cl)C(=O)Cl PI-12024 [0,2,0,0,0,0|1,0,0]=3 1245 B12R1.46 COC1=C(C=C(C=C1)Cl)[N+](=O)[O-] PI-29964 [0,2,0,0,0,0|1,0,1]=4 1246 B12R1.46 COC1=C(C=C(C=C1)F)[N+](=O)[O-] PI-10733 [0,2,0,0,0,0|1,0,1]=4 1247 B12R1.46 COC1=C(C=C(C=C1)I)[N+](=O)[O-] PI-29658 [0,2,0,0,0,0|1,0,1]=4 1248 B12R1.46 COC1=C(C=C(C=C1)N)[N+](=O)[O-] PI-26760 [0,2,0,0,0,0|1,0,1]=4 1249 B12R1.46 COC1=C(C=C(C=N1)Br)C(=O)O PI-26734 [0,2,0,0,0,0|1,0,0]=3 1250 B12R1.46 COc1ccc(Br)cc1C(=O)C PI-21551 [0,2,0,0,0,0|1,0,0]=3 1251 B12R1.46 COc1ccc(Cl)cc1C(=O)O PI-33462 [0,2,0,0,0,0|0,0,0]=2 1252 B12R1.46 OB(C1=CC(Br)=CC=C1OC)O PI-25961 [0,2,0,0,0,0|1,0,1]=4 1253 B12R1.57 B(C1=C(C=C(C=C1)F)CO)(O)O PI-42948 [0,2,0,0,0,0|1,0,1]=4 1254 B12R1.57 C1=CC(=C(C=C1Cl)CO)[N+](=O)[O-] PI-26874 [0,2,0,0,0,0|1,0,1]=4 1255 B12R1.57 C1=CC(=C(C=C1O)CO)[N+](=O)[O-] PI-26784 [0,2,0,0,0,0|1,0,1]=4 1256 B12R1.57 CC(=O)C1=C(C=C(C=C1)F)OC PI-27655 [0,2,0,0,0,0|1,0,0]=3 1257 B12R1.57 CC1=CC(=C(C=C1)[N+](=O)[O-])CO PI-26837 [0,2,0,0,0,0|1,0,1]=4 1258 B12R1.57 COC1=C(C=CC(=C1)O)[N+](=O)[O-] PI-43287 [0,2,0,0,0,0|1,0,1]=4 1259 B12R1.57 COc1cc(C)ccc1C(=O)O PI-36551 [0,2,0,0,0,0|0,0,0]=2 1260 B12R1.57 COc1cc(C)ccc1[N+](=O)[O-] PI-29537 [0,2,0,0,0,0|1,0,1]=4 1261 B12R1.57 COc1cc(Cl)ccc1B(O)O PI-25827 [0,2,0,0,0,0|1,0,1]=4 1262 B12R1.57 COc1cc(Cl)ccc1C(=O)O PI-28661 [0,2,0,0,0,0|0,0,0]=2 1263 B12R1.57 COc1cc(Cl)ccc1[N+](=O)[O-] PI-29835 [0,2,0,0,0,0|1,0,1]=4 1264 B12R1.57 COc1cc(F)ccc1B(O)O PI-25266 [0,2,0,0,0,0|1,0,1]=4 1265 B12R1.57 COc1cc(F)ccc1[N+](=O)[O-] PI-34510 [0,2,0,0,0,0|1,0,1]=4 1266 B12R1.76 O=S(C1=CC=CC=C1OC)(Cl)=O PI-40965 [0,2,0,0,0,0|1,0,1]=4 1267 B12R1.77 BrCC(=O)c1ccccc1OC PI-21566 [0,2,0,0,0,0|1,0,0]=3 1268 B12R1.77 C1=CC=C(C(=C1)C#N)C(=O)NN PI-50324 [0,2,0,0,0,0|2,0,0]=4 1269 B12R1.77 CNC1=CC=CC=C1C(=O)OC PI-50463 [0,2,0,0,0,0|1,0,0]=3 1270 B12R1.77 COC(=O)C1=CC=CC=C1C#C PI-46520 [0,2,0,0,0,0|1,0,0]=3 1271 B12R1.77 COC(=O)C1=CC=CC=C1C#N PI-50472 [0,2,0,0,0,0|1,0,0]=3 1272 B12R1.77 COC(=O)C1=CC=CC=C1C=O PI-27575 [0,2,0,0,0,0|0,0,1]=3 1273 B12R1.77 COC(=O)C1=CC=CC=C1CCl PI-46951 [0,2,0,0,0,0|1,0,0]=3 1274 B12R1.77 COC(=O)c1ccccc1CBr PI-15370 [0,2,0,0,0,0|1,0,0]=3 1275 B12R1.77 COC(=O)c1ccccc1CN PI-23083 [0,2,0,0,0,0|1,0,0]=3 1276 B12R1.77 COC(=O)c1ccccc1CO PI-36343 [0,2,0,0,0,0|0,0,0]=2 1277 B12R1.77 COC1=CC=CC=C1C(=O)CO PI-30335 [0,2,0,0,0,0|0,0,0]=2 1278 B12R1.77 COC1=CC=CC=C1C(=O)NN PI-29896 [0,2,0,0,0,0|1,0,0]=3 1279 B12R1.77 COC1=CC=CC=C1C(=O)OC PI-50275 [0,2,0,0,0,0|0,0,0]=2 1280 B12R1.87 B(C1=C(C(=CC=C1)F)CO)(O)O PI-49931 [0,2,0,0,0,0|1,0,1]=4 1281 B12R1.87 C1=CC(=C(C(=C1)Cl)CO)[N+](=O)[O-] PI-26691 [0,2,0,0,0,0|1,0,1]=4 1282 B12R1.87 COC1=C(C=CC=C1Br)[N+](=O)[O-] PI-39798 [0,2,0,0,0,0|1,0,1]=4 1283 B12R1.87 COC1=C(C=CC=C1F)[N+](=O)[O-] PI-29621 [0,2,0,0,0,0|1,0,1]=4 1284 B12R1.87 COC1=C(C=CC=C1I)C(=O)O PI-48048 [0,2,0,0,0,0|0,0,0]=2 1285 B12R1.87 COC1=C(C=CN=C1C(=O)O)Cl PI-34876 [0,2,0,0,0,0|1,0,0]=3 1286 B12R1.261 B(C1=CC=CC=C1C(=O)C)(O)O PI-25426 [0,2,0,0,0,0|1,0,0]=3 1287 B12R1.261 B(C1=CC=CC=C1C(=O)N)(O)O PI-25519 [0,2,0,0,0,0|1,0,0]=3 1288 B12R1.261 B(C1=CC=CC=C1[N+](=O)[O-])(O)O PI-25674 [0,2,0,0,0,0|1,0,1]=4 1289 B12R1.261 C1=CC(=C(N=C1)C(=O)O)C(=O)O PI-49438 [0,2,0,0,0,0|1,0,0]=3 1290 B12R1.261 C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-] PI-17814 [0,2,0,0,0,0|0,0,2]=4 1291 B12R1.261 C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-] PI-50446 [0,2,0,0,0,0|0,0,2]=4 1292 B12R1.261 C1=CC=C(C(=C1)C(=O)[O-])[N+](=O)[O-] PI-20687 [0,2,0,0,0,0|0,0,2]=4 1293 B12R1.261 C1=CN=CC(=C1C(=O)O)C(=O)O PI-23205 [0,2,0,0,0,0|1,0,0]=3 1294 B12R1.261 CC(=O)C1=C(C=CC=N1)C(=O)O PI-12191 [0,2,0,0,0,0|1,0,1]=4 1295 B12R1.261 CC(=O)C1=CC=CC=C1C(=O)C PI-29862 [0,2,0,0,0,0|1,0,1]=4 1296 B12R1.261 CC(=O)C1=CC=CC=C1C(=O)O PI-29712 [0,2,0,0,0,0|0,0,1]=3 1297 B12R1.261 O=C(C1=NC=CC=C1C(O)=O)O PI-16406 [0,2,0,0,0,0|1,0,0]=3 1298 B12R1.261 OC(=O)c1ccccc1B(O)O PI-11571 [0,2,0,0,0,0|0,0,0]=2 1299 B12R1.261 OC(=O)c1ccccc1N(C)C PI-29754 [0,2,0,0,0,0|1,0,0]=3 1300 B12R1.261 OC(=O)c1nccnc1C(=O)O PI-28884 [0,2,0,0,0,0|2,0,0]=4 1301 B12R1.261 [O-][N+](=O)c1ccccc1C(=O)C PI-12212 [0,2,0,0,0,0|1,0,1]=4 1302 B12R1.261 [O-][N+](=O)c1ncccc1C(=O)O PI-36870 [0,2,0,0,0,0|1,0,1]=4 1303 B12R1.283 B(C1=CC=CC=C1COC)(O)O PI-25099 [0,2,0,0,0,0|1,0,1]=4 1304 B12R1.283 B(C1=CC=CC=C1OCC)(O)O PI-25335 [0,2,0,0,0,0|1,0,1]=4 1305 B12R1.283 C1=CC=C(C(=C1)C=NO)[N+](=O)[O-] PI-18808 [0,2,0,0,0,0|1,0,1]=4 1306 B12R1.283 C1=CC=C(C(=C1)CC#N)C(=O)O PI-18806 [0,2,0,0,0,0|1,0,0]=3 1307 B12R1.283 C1=CC=C(C(=C1)CCO)[N+](=O)[O-] PI-48544 [0,2,0,0,0,0|1,0,1]=4 1308 B12R1.283 CCOC1=CC=CC=C1C(=O)C PI-22025 [0,2,0,0,0,0|1,0,0]=3 1309 B12R1.283 CCOC1=CC=CC=C1C(=O)Cl PI-31759 [0,2,0,0,0,0|1,0,0]=3 1310 B12R1.283 CCOC1=CC=CC=C1C(=O)O PI-11840 [0,2,0,0,0,0|0,0,0]=2 1311 B12R1.437 B(C1=C(C=CC=C1Cl)OC)(O)O PI-49865 [0,2,0,0,0,0|1,0,1]=4 1312 B12R1.437 B(C1=C(C=CC=C1F)OC)(O)O PI-25839 [0,2,0,0,0,0|1,0,1]=4 1313 B12R1.437 CC1=C(C(=CC=C1)CBr)C(=O)Br PI-32366 [0,2,0,0,0,0|2,0,0]=4 1314 B12R1.437 CC1=C(C(=CC=C1)CO)[N+](=O)[O-] PI-26919 [0,2,0,0,0,0|1,0,1]=4 1315 B12R1.437 CC1=C(C(=CC=C1)OC)[N+](=O)[O-] PI-10565 [0,2,0,0,0,0|1,0,1]=4 1316 B12R1.437 COC1=C(C(=CC=C1)F)C(=O)O PI-18169 [0,2,0,0,0,0|0,0,0]=2 1317 B12R1.437 COc1cccc(C)c1C(=O)O PI-35807 [0,2,0,0,0,0|0,0,0]=2 1318 B12R1.437 COc1cccc(O)c1C(=O)C PI-29860 [0,2,0,0,0,0|1,0,0]=3 1319 B12R1.437 COc1cccc(O)c1C(=O)O PI-27469 [0,2,0,0,0,0|0,0,0]=2 1320 B12R1.126 O=S(C1=CC=C(C)C=C1O)(O)=O PI-40326 [0,2,0,0,0,0|1,0,0]=3 1321 B12R1.128 O=S(C1=CC(N)=CC=C1N)(O)=O PI-32424 [0,2,0,0,0,0|2,0,0]=4 1322 B12R1.894 C1=CC(=C(C(=C1F)C(=O)Cl)Cl)F PI-20036 [0,2,0,0,0,0|2,0,0]=4 1323 B12R1.894 C1=CC(=C(C(=C1F)C(=O)Cl)F)Cl PI-17449 [0,2,0,0,0,0|2,0,0]=4 1324 B12R1.894 C1=CC(=C(C(=C1F)C(=O)O)Cl)F PI-20033 [0,2,0,0,0,0|1,0,0]=3 1325 B12R1.894 C1=CC(=C(C(=C1F)C(=O)O)F)Cl PI-20035 [0,2,0,0,0,0|1,0,0]=3 1326 B12R1.894 C1=CC(=C(C(=C1F)C(=O)O)F)F PI-16076 [0,2,0,0,0,0|1,0,0]=3 1327 B12R1.894 C1=CC(=C(C(=C1F)Cl)C(=O)Cl)Cl PI-33643 [0,2,0,0,0,0|2,0,0]=4 1328 B12R1.894 C1=CC(=C(C(=C1N)F)C(=O)O)F PI-34458 [0,2,0,0,0,0|1,0,0]=3 1329 B12R1.894 CC(=O)C1=C(C=CC(=C1F)Cl)F PI-20026 [0,2,0,0,0,0|2,0,0]=4 1330 B12R1.894 CC(=O)C1=C(C=CC(=C1F)F)F PI-29328 [0,2,0,0,0,0|2,0,0]=4 1331 B12R1.894 CC(=O)c1c(Cl)ccc(F)c1Cl PI-16491 [0,2,0,0,0,0|2,0,0]=4 1332 B12R1.894 CC(C1=C(F)C=CC(C)=C1Cl)=O PI-40481 [0,2,0,0,0,0|2,0,0]=4 1333 B12R1.894 CC1=C(C(=C(C=C1)C)C(=O)C)C PI-29682 [0,2,0,0,0,0|2,0,0]=4 1334 B12R1.894 CC1=C(C(=C(C=C1)Cl)C(=O)Cl)F PI-20099 [0,2,0,0,0,0|2,0,0]=4 1335 B12R1.894 CC1=C(C(=C(C=C1)Cl)C(=O)O)F PI-20097 [0,2,0,0,0,0|1,0,0]=3 1336 B12R1.894 CC1=C(C(=C(C=C1)F)C(=O)Cl)Cl PI-20098 [0,2,0,0,0,0|2,0,0]=4 1337 B12R1.894 CC1=C(C(=C(C=C1)F)C(=O)Cl)F PI-21202 [0,2,0,0,0,0|2,0,0]=4 1338 B12R1.894 CC1=C(C(=C(C=C1)F)C(=O)O)Cl PI-20096 [0,2,0,0,0,0|1,0,0]=3 1339 B12R1.894 Clc1ccc(Cl)c(C(=O)O)c1N PI-30449 [0,2,0,0,0,0|1,0,0]=3 1340 B12R1.894 O=C(O)C1=C(F)C=CC(I)=C1F PI-34286 [0,2,0,0,0,0|1,0,0]=3 1341 B12R1.894 OC(=O)c1c(Br)ccc(c1F)F PI-39309 [0,2,0,0,0,0|1,0,0]=3 1342 B12R1.894 OC(=O)c1c(Cl)ccc(F)c1Cl PI-10219 [0,2,0,0,0,0|1,0,0]=3 1343 B12R1.1000 C1=C(C=C(C(=C1Br)C(=O)O)Br)Br PI-47141 [0,2,0,0,0,0|1,0,0]=3 1344 B12R1.1000 C1=C(C=C(C(=C1Cl)C(=O)Cl)Cl)Cl PI-32962 [0,2,0,0,0,0|2,0,0]=4 1345 B12R1.1000 C1=C(C=C(C(=C1Cl)C(=O)O)Cl)Cl PI-31210 [0,2,0,0,0,0|1,0,0]=3 1346 B12R1.1000 C1=C(C=C(C(=C1F)C(=O)N)F)F PI-30947 [0,2,0,0,0,0|2,0,0]=4 1347 B12R1.1000 C1=C(C=C(C(=C1F)C(=O)O)F)Br PI-28222 [0,2,0,0,0,0|1,0,0]=3 1348 B12R1.1000 C1=C(C=C(C(=C1O)[N+](=O)[O-])F)F PI-34512 [0,2,0,0,0,0|1,0,1]=4 1349 B12R1.1000 C1=C(C=C(C(=C1O)[N+](=O)[O-])O)F PI-34513 [0,2,0,0,0,0|1,0,1]=4 1350 B12R1.1000 CC(=O)C1=C(C)C=C(C)C=C1C PI-29186 [0,2,0,0,0,0|2,0,0]=4 1351 B12R1.1000 CC(=O)C1=C(C=C(C=C1O)O)O PI-11028 [0,2,0,0,0,0|1,0,0]=3 1352 B12R1.1000 CC(=O)C1=C(C=C(C=C1O)O)O PI-30377 [0,2,0,0,0,0|1,0,0]=3 1353 B12R1.1000 CC1=CC(=C(C(=C1)C)C(=O)O)C PI-31205 [0,2,0,0,0,0|1,0,0]=3 1354 B12R1.1000 CC1=CC(=C(C(=C1)O)C(=O)O)O PI-19639 [0,2,0,0,0,0|0,0,0]=2 1355 B12R1.1000 CC1=CC(=C(C(=O)O1)C(=O)C)O PI-15821 [0,2,0,0,0,0|2,0,0]=4 1356 B12R1.1000 CC1=CC(=CC(=C1C(=O)N)Cl)Cl PI-21052 [0,2,0,0,0,0|2,0,0]=4 1357 B12R1.1000 CC1=CC(=CC(=C1C(=O)O)C)O PI-34840 [0,2,0,0,0,0|1,0,0]=3 1358 B12R1.1000 Cc1cc(C)c(C(=O)Cl)c(C)c1 PI-12137 [0,2,0,0,0,0|2,0,0]=4 1359 B12R1.1000 Clc1cc(C)c(c(n1)Cl)C(=O)O PI-38195 [0,2,0,0,0,0|2,0,0]=4 1360 B12R1.1000 Fc1cc(F)c(C(=O)O)c(F)c1 PI-16079 [0,2,0,0,0,0|1,0,0]=3 1361 B12R1.1000 O=C(O)C1=C(O)C=C(O)C=C1O PI-37375 [0,2,0,0,0,0|0,0,0]=2 1362 B12R1.1000 Oc1cc(F)c(C(=O)O)c(F)c1 PI-28272 [0,2,0,0,0,0|1,0,0]=3 1363 B12R1.1000 Oc1cc(O)cc(c1[N+](=O)[O-])O PI-30197 [0,2,0,0,0,0|1,0,1]=4 1364 B12R1.3441 BrC1=C(C(=O)OC)C(=CC=C1)C PI-40797 [0,2,0,0,0,0|1,0,0]=3 1365 B12R1.3441 C1=CC(=C(C(=C1)Cl)C(=NO)Cl)Cl PI-21044 [0,2,0,0,0,0|2,0,0]=4 1366 B12R1.3441 C1=CC(=C(C(=C1)Cl)C(=O)CBr)Cl PI-21603 [0,2,0,0,0,0|2,0,0]=4 1367 B12R1.3441 C1=CC(=C(C(=C1)F)C(=O)CBr)F PI-28642 [0,2,0,0,0,0|2,0,0]=4 1368 B12R1.3441 C1=CC(=C(C(=C1)F)C(=O)NN)F PI-50308 [0,2,0,0,0,0|2,0,0]=4 1369 B12R1.3441 COC(=O)C1=C(C=CC=C1Br)N PI-35916 [0,2,0,0,0,0|1,0,0]=3 1370 B12R1.3441 COC(=O)C1=C(C=CC=C1Cl)Cl PI-50416 [0,2,0,0,0,0|1,0,0]=3 1371 B12R1.3441 COC(=O)C1=C(C=CC=C1F)F PI-50306 [0,2,0,0,0,0|1,0,0]=3 1372 B12R1.3441 COC(=O)C1=C(C=CC=C1F)O PI-44540 [0,2,0,0,0,0|0,0,0]=2 1373 B12R1.3441 COC(=O)C1=C(C=CC=C1O)O PI-46968 [0,2,0,0,0,0|0,0,0]=2 1374 B12R1.24 C1=CC(=C(C(=C1)Cl)Cl)C(=NO)N PI-21003 [0,2,0,0,0,0|2,0,0]=4 1375 B12R1.24 C1=CC(=C(C(=C1)Cl)Cl)C(=O)C#N PI-12595 [0,2,0,0,0,0|2,0,0]=4 1376 B12R1.24 CC1=C(C(=CC=C1)C(=O)NN)O PI-20806 [0,2,0,0,0,0|1,0,0]=3 1377 B12R1.24 CC1=C(C(=CC=C1)C(=O)OC)N PI-31514 [0,2,0,0,0,0|1,0,0]=3 1378 B12R1.24 CC1=C(C=CC=C1Br)C(=O)NN PI-50522 [0,2,0,0,0,0|2,0,0]=4 1379 B12R1.24 CC1=C(C=CC=C1O)C(=O)OC PI-50569 [0,2,0,0,0,0|1,0,0]=3 1380 B12R1.24 CCC(=O)C1=C(C(=CC=C1)F)F PI-21239 [0,2,0,0,0,0|2,0,0]=4 1381 B12R1.24 COC(=O)C1=C(C(=CC=C1)Br)N PI-35914 [0,2,0,0,0,0|1,0,0]=3 1382 B12R1.24 COC(=O)C1=C(C(=CC=C1)Cl)N PI-11518 [0,2,0,0,0,0|1,0,0]=3 1383 B12R1.24 COC(=O)C1=C(C(=NC=C1)Cl)F PI-34474 [0,2,0,0,0,0|2,0,0]=4 1384 B12R1.24 COC(=O)c1cccc(c1N)N PI-36775 [0,2,0,0,0,0|1,0,0]=3 1385 B12R1.24 COC(=O)c1cccc(c1N)O PI-38626 [0,2,0,0,0,0|1,0,0]=3 1386 B12R1.24 COC(=O)c1cccc(c1O)O PI-39003 [0,2,0,0,0,0|0,0,0]=2 1387 B12R1.24 COC(=O)c1ccnc(c1N)Cl PI-38952 [0,2,0,0,0,0|2,0,0]=4 1388 B12R1.24 Cc1c(cccc1N)C(=O)OC PI-16129 [0,2,0,0,0,0|1,0,0]=3 1389 B12R1.440 C1=CC(=C(C(=C1)C(=O)O)N)C=O PI-27422 [0,2,0,0,0,0|1,0,0]=3 1390 B12R1.440 CC1=C(C=CC=C1OC)C(=O)O PI-11935 [0,2,0,0,0,0|1,0,0]=3 1391 B12R1.440 CNC1=CC=CC(=C1O)C(=O)O PI-43053 [0,2,0,0,0,0|0,0,0]=2 1392 B12R1.440 COC1=CC=CC(=C1N)C(=O)O PI-30469 [0,2,0,0,0,0|1,0,0]=3 1393 B12R1.440 COC1=CC=CC(=C1O)C(=O)O PI-16106 [0,2,0,0,0,0|0,0,0]=2 1394 B12R1.440 COc1cccc(c1Br)C(=O)O PI-39348 [0,2,0,0,0,0|1,0,0]=3 1395 B12R1.440 O=C(Cl)C1=CC=CC(OC)=C1C PI-37995 [0,2,0,0,0,0|2,0,0]=4 1396 B12R1.440 O=Cc1cccc(c1O)[N+](=O)[O-] PI-18626 [0,2,0,0,0,0|1,0,1]=4 1397 B12R1.511 B(C1=CC(=CC(=C1O)F)F)(O)O PI-34870 [0,2,0,0,0,0|1,0,1]=4 1398 B12R1.511 C1=C(C=C(C(=C1C(=O)Cl)O)I)I PI-31884 [0,2,0,0,0,0|1,0,0]=3 1399 B12R1.511 C1=C(C=C(C(=C1C(=O)O)Cl)Cl)Cl PI-27648 [0,2,0,0,0,0|1,0,0]=3 1400 B12R1.511 C1=C(C=C(C(=C1C(=O)O)Cl)N)Cl PI-24093 [0,2,0,0,0,0|1,0,0]=3 1401 B12R1.511 C1=C(C=C(C(=C1C(=O)O)F)F)F PI-31256 [0,2,0,0,0,0|1,0,0]=3 1402 B12R1.511 C1=C(C=C(C(=C1C(=O)O)N)Br)Br PI-30765 [0,2,0,0,0,0|1,0,0]=3 1403 B12R1.511 C1=C(C=C(C(=C1C(=O)O)N)I)I PI-30766 [0,2,0,0,0,0|1,0,0]=3 1404 B12R1.511 C1=C(C=C(C(=C1C(=O)O)O)Br)Br PI-27468 [0,2,0,0,0,0|0,0,0]=2 1405 B12R1.511 C1=C(C=C(C(=C1C(=O)O)O)I)I PI-31883 [0,2,0,0,0,0|0,0,0]=2 1406 B12R1.511 C1=C(C=C(C(=C1Cl)O)[N+](=O)[O-])Cl PI-42098 [0,2,0,0,0,0|1,0,1]=4 1407 B12R1.511 C1=C(C=C(C(=C1[N+](=O)[O-])O)F)Br PI-14448 [0,2,0,0,0,0|1,0,1]=4 1408 B12R1.511 C1=C(C=C(C(=C1[N+](=O)[O-])O)F)F PI-29516 [0,2,0,0,0,0|1,0,1]=4 1409 B12R1.511 CC(=O)C1=C(C(=CC(=C1)Br)Br)O PI-30333 [0,2,0,0,0,0|1,0,0]=3 1410 B12R1.511 CC(=O)C1=C(C(=CC(=C1)Cl)Br)O PI-30753 [0,2,0,0,0,0|1,0,0]=3 1411 B12R1.511 CC(=O)C1=C(C(=CC(=C1)Cl)Cl)F PI-28571 [0,2,0,0,0,0|2,0,0]=4 1412 B12R1.511 CC(=O)C1=C(C(=CC(=C1)Cl)Cl)O PI-15408 [0,2,0,0,0,0|1,0,0]=3 1413 B12R1.511 CC(=O)C1=C(C(=CC(=C1)F)F)O PI-29133 [0,2,0,0,0,0|1,0,0]=3 1414 B12R1.511 CC1=C(C=C(C=C1F)F)C(=O)O PI-34482 [0,2,0,0,0,0|1,0,0]=3 1415 B12R1.511 CC1=C(C=C(C=C1N)Br)C(=O)O PI-47174 [0,2,0,0,0,0|1,0,0]=3 1416 B12R1.511 CC1=CC(=C(C(=C1)Br)N)C(=O)O PI-30110 [0,2,0,0,0,0|1,0,0]=3 1417 B12R1.511 CC1=CC(=C(C(=C1)Br)O)[N+](=O)[O-] PI-22156 [0,2,0,0,0,0|1,0,1]=4 1418 B12R1.511 CC1=CC(=C(C(=C1)F)F)C(=O)O PI-34479 [0,2,0,0,0,0|1,0,0]=3 1419 B12R1.511 CC1=CC(=C(C(=C1)I)O)[N+](=O)[O-] PI-29849 [0,2,0,0,0,0|1,0,1]=4 1420 B12R1.511 CC1=CC(=C(C(=C1)N)O)C(=O)C PI-15951 [0,2,0,0,0,0|1,0,0]=3 1421 B12R1.511 CC1=CC(=C(C(=C1)[N+](=O)[O-])O)C PI-27177 [0,2,0,0,0,0|1,0,1]=4 1422 B12R1.511 CC1=CC(=CC(=C1F)C(=O)O)F PI-34481 [0,2,0,0,0,0|1,0,0]=3 1423 B12R1.511 CC1=CC(=CC(=C1N)C(=O)N)Br PI-48684 [0,2,0,0,0,0|2,0,0]=4 1424 B12R1.511 CC1=CC(=CC(=C1N)C(=O)O)Br PI-35864 [0,2,0,0,0,0|1,0,0]=3 1425 B12R1.511 CC1=CC(=CC(=C1N)C(=O)O)Cl PI-10075 [0,2,0,0,0,0|1,0,0]=3 1426 B12R1.511 CC1=CC(=CC(=C1O)C(=O)O)Br PI-14455 [0,2,0,0,0,0|0,0,0]=2 1427 B12R1.511 Cc1cc(C)c(N)c(c1)C(=O)O PI-10077 [0,2,0,0,0,0|1,0,0]=3 1428 B12R1.511 Cc1cc(C)c(c(c1)C(=O)C)O PI-23854 [0,2,0,0,0,0|1,0,0]=3 1429 B12R1.511 Cc1cc(C)c(c(c1)C(=O)C)O PI-38914 [0,2,0,0,0,0|1,0,0]=3 1430 B12R1.511 Clc1cc(Cl)c(c(c1)C(=O)O)N PI-10925 [0,2,0,0,0,0|1,0,0]=3 1431 B12R1.511 Fc1cc(F)c(c(c1)C(=O)O)Br PI-39333 [0,2,0,0,0,0|1,0,0]=3 1432 B12R1.511 O=C(O)C1=CC(Br)=CC(F)=C1N PI-42637 [0,2,0,0,0,0|1,0,0]=3 1433 B12R1.511 OC(=O)C1=C(I)C(I)=CC(I)=C1 PI-12207 [0,2,0,0,0,0|1,0,0]=3 1434 B12R1.511 OC1=C([N+]([O-])=O)C=C(F)C=C1Br PI-29477 [0,2,0,0,0,0|1,0,1]=4 1435 B12R1.893 C1=CC(=C(C(=C1C(=O)Cl)F)Cl)F PI-20037 [0,2,0,0,0,0|2,0,0]=4 1436 B12R1.893 C1=CC(=C(C(=C1C(=O)N)F)F)F PI-30289 [0,2,0,0,0,0|2,0,0]=4 1437 B12R1.893 C1=CC(=C(C(=C1C(=O)O)F)Cl)F PI-20034 [0,2,0,0,0,0|1,0,0]=3 1438 B12R1.893 C1=CC(=C(C(=C1C(=O)O)F)F)O PI-34339 [0,2,0,0,0,0|1,0,0]=3 1439 B12R1.893 C1=CC(=C(C(=C1C(=O)O)O)O)O PI-27783 [0,2,0,0,0,0|0,0,0]=2 1440 B12R1.893 C1=CC(=C(C(=C1[N+](=O)[O-])O)F)F PI-31313 [0,2,0,0,0,0|1,0,1]=4 1441 B12R1.893 CC(=O)C1=C(C(=C(C=C1)Cl)Cl)Cl PI-12808 [0,2,0,0,0,0|2,0,0]=4 1442 B12R1.893 CC(=O)C1=C(C(=C(C=C1)O)O)O PI-29660 [0,2,0,0,0,0|1,0,0]=3 1443 B12R1.893 CC1=C(C(=C(C=C1)C(=O)Cl)F)F PI-21201 [0,2,0,0,0,0|2,0,0]=4 1444 B12R1.893 CC1=C(C=CC(=C1O)C(=O)C)O PI-29030 [0,2,0,0,0,0|1,0,0]=3 1445 B12R1.893 NC1=C(C=CC(F)=C1F)C(O)=O PI-41759 [0,2,0,0,0,0|1,0,0]=3 1446 B12R1.893 O=C(O)C1=CC=C(Br)C(F)=C1N PI-41747 [0,2,0,0,0,0|1,0,0]=3 1447 B12R1.893 O=C(O)C1=CC=C(C)C(F)=C1F PI-37178 [0,2,0,0,0,0|1,0,0]=3 1448 B12R1.893 OC(=O)c1ccc(F)c(F)c1F PI-16077 [0,2,0,0,0,0|1,0,0]=3 1449 B12R1.893 OC(=O)c1ccc(c(c1C)F)F PI-34462 [0,2,0,0,0,0|1,0,0]=3 1450 B12R1.893 OC(=O)c1ccc(c(c1F)C)F PI-34460 [0,2,0,0,0,0|1,0,0]=3 1451 B12R1.893 OC(=O)c1ccc(c(c1F)F)N PI-38299 [0,2,0,0,0,0|1,0,0]=3 1452 B12R1.893 OC(=O)c1ccc(c(c1N)C)C PI-32620 [0,2,0,0,0,0|1,0,0]=3 1453 B12R1.893 OC(=O)c1ccc(c(c1N)I)C PI-34646 [0,2,0,0,0,0|1,0,0]=3 1454 B12R1.232 C1=C(C(=CC(=C1Br)Cl)N)C(=O)O PI-45739 [0,2,0,0,0,0|1,0,0]=3 1455 B12R1.232 C1=C(C(=CC(=C1Cl)Cl)Cl)C(=O)O PI-39988 [0,2,0,0,0,0|1,0,0]=3 1456 B12R1.232 C1=C(C(=CC(=C1F)Br)F)C(=O)O PI-40947 [0,2,0,0,0,0|1,0,0]=3 1457 B12R1.232 C1=C(C(=CC(=C1F)Cl)Cl)C(=O)O PI-16073 [0,2,0,0,0,0|1,0,0]=3 1458 B12R1.232 C1=C(C(=CC(=C1F)Cl)F)C(=O)Cl PI-20038 [0,2,0,0,0,0|2,0,0]=4 1459 B12R1.232 C1=C(C(=CC(=C1F)Cl)F)C(=O)O PI-16075 [0,2,0,0,0,0|1,0,0]=3 1460 B12R1.232 C1=C(C(=CC(=C1F)F)Cl)C(=O)O PI-16074 [0,2,0,0,0,0|1,0,0]=3 1461 B12R1.232 C1=C(C(=CC(=C1F)F)F)C(=O)Cl PI-34298 [0,2,0,0,0,0|2,0,0]=4 1462 B12R1.232 C1=C(C(=CC(=C1F)F)F)C(=O)N PI-30997 [0,2,0,0,0,0|2,0,0]=4 1463 B12R1.232 C1=C(C(=CC(=C1F)F)I)C(=O)O PI-34281 [0,2,0,0,0,0|1,0,0]=3 1464 B12R1.232 C1=C(C(=CC(=C1F)F)N)C(=O)O PI-10424 [0,2,0,0,0,0|1,0,0]=3 1465 B12R1.232 C1=C(C(=CC(=C1F)F)O)[N+](=O)[O-] PI-34511 [0,2,0,0,0,0|1,0,1]=4 1466 B12R1.232 C1=C(C(=CC(=C1O)O)O)C(=O)O PI-11736 [0,2,0,0,0,0|0,0,0]=2 1467 B12R1.232 C1=C(C(=NC(=C1Cl)Cl)Cl)C(=O)O PI-48976 [0,2,0,0,0,0|2,0,0]=4 1468 B12R1.232 CC(=O)C1=CC(=C(C=C1Cl)F)F PI-30099 [0,2,0,0,0,0|2,0,0]=4 1469 B12R1.232 CC(=O)C1=CC(=C(C=C1F)Cl)F PI-29831 [0,2,0,0,0,0|2,0,0]=4 1470 B12R1.232 CC(=O)C1=CC(=C(C=C1F)F)F PI-29103 [0,2,0,0,0,0|2,0,0]=4 1471 B12R1.232 CC(=O)C1=CC(=C(C=C1O)O)O PI-44126 [0,2,0,0,0,0|1,0,0]=3 1472 B12R1.232 CC(=O)c1cc(Br)c(cc1F)F PI-39136 [0,2,0,0,0,0|2,0,0]=4 1473 B12R1.232 CC(=O)c1cc(F)c(cc1Cl)Cl PI-16271 [0,2,0,0,0,0|2,0,0]=4 1474 B12R1.232 CC1=CC(=C(C=C1C(=O)O)F)F PI-34463 [0,2,0,0,0,0|1,0,0]=3 1475 B12R1.232 CC1=CC(=C(C=C1C)C(=O)O)C PI-27676 [0,2,0,0,0,0|1,0,0]=3 1476 B12R1.232 CC1=CC(=C(C=C1C)O)C(=O)C PI-23855 [0,2,0,0,0,0|1,0,0]=3 1477 B12R1.232 CC1=CC(=C(C=C1Cl)C(=O)C)O PI-30428 [0,2,0,0,0,0|1,0,0]=3 1478 B12R1.232 CC1=CC(=C(C=C1F)F)C(=O)O PI-34480 [0,2,0,0,0,0|1,0,0]=3 1479 B12R1.232 ClC(=O)c1cc(F)c(cc1Cl)Cl PI-28871 [0,2,0,0,0,0|2,0,0]=4 1480 B12R1.232 Fc1cc(C(=O)O)c(F)cc1C PI-34461 [0,2,0,0,0,0|1,0,0]=3 1481 B12R1.232 Fc1cc(C(=O)O)c(F)cc1F PI-16078 [0,2,0,0,0,0|1,0,0]=3 1482 B12R1.232 Fc1cc(C(=O)O)c(cc1N)F PI-34478 [0,2,0,0,0,0|1,0,0]=3 1483 B12R1.232 O=C(O)C1=CC(C)=C(C)C=C1N PI-40810 [0,2,0,0,0,0|1,0,0]=3 1484 B12R1.232 O=C(O)C1=CC(N)=C(C)C=C1C PI-36846 [0,2,0,0,0,0|1,0,0]=3 1485 B12R1.232 OC(=O)c1cc(Cl)c(F)cc1F PI-10197 [0,2,0,0,0,0|1,0,0]=3 1486 B12R1.232 OC(=O)c1cc(F)c(Cl)nc1Cl PI-16613 [0,2,0,0,0,0|2,0,0]=4 1487 B12R1.232 [O-][N+](=O)c1cc(Cl)c(cc1O)C PI-29873 [0,2,0,0,0,0|1,0,1]=4 1488 B12R1.452 C1=CC(=C(C=C1C#N)F)C(=O)O PI-20302 [0,2,0,0,0,0|1,0,0]=3 1489 B12R1.452 C1=CC(=CC(=C1C(O)=O)N)OC PI-41092 [0,2,0,0,0,0|1,0,0]=3 1490 B12R1.452 CC(=O)C1=C(C=C(C=C1)OC)F PI-12716 [0,2,0,0,0,0|2,0,0]=4 1491 B12R1.452 CC(=O)C1=C(C=C(C=C1)OC)N PI-30608 [0,2,0,0,0,0|2,0,0]=4 1492 B12R1.452 CC(=O)C1=C(C=C(C=C1)OC)O PI-11034 [0,2,0,0,0,0|1,0,0]=3 1493 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)Cl PI-33352 [0,2,0,0,0,0|1,0,0]=3 1494 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)I PI-50080 [0,2,0,0,0,0|1,0,0]=3 1495 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)O PI-10049 [0,2,0,0,0,0|0,0,0]=2 1496 B12R1.452 COc1ccc(C(=O)N)c(O)c1 PI-32435 [0,2,0,0,0,0|1,0,0]=3 1497 B12R1.452 COc1ccc(c(c1)O)[N+](=O)[O-] PI-29863 [0,2,0,0,0,0|1,0,1]=4 1498 B12R1.452 O=Cc1ccc(c(c1)O)[N+](=O)[O-] PI-11927 [0,2,0,0,0,0|1,0,1]=4 1499 B12R1.1703 C1=CC(=C(C=C1Br)Br)C(=O)CBr PI-31571 [0,2,0,0,0,0|2,0,0]=4 1500 B12R1.1703 C1=CC(=C(C=C1Cl)Cl)C(=O)CBr PI-12358 [0,2,0,0,0,0|2,0,0]=4 1501 B12R1.1703 C1=CC(=C(C=C1Cl)Cl)C(=O)CCl PI-11716 [0,2,0,0,0,0|2,0,0]=4 1502 B12R1.1703 C1=CC(=C(C=C1Cl)Cl)C(=O)CN PI-10227 [0,2,0,0,0,0|2,0,0]=4 1503 B12R1.1703 C1=CC(=C(C=C1Cl)O)C(=O)NO PI-30783 [0,2,0,0,0,0|0,0,0]=2 1504 B12R1.1703 C1=CC(=C(C=C1F)F)C(=O)C=O PI-21222 [0,2,0,0,0,0|1,0,1]=4 1505 B12R1.1703 C1=CC(=C(C=C1F)F)C(=O)CBr PI-11717 [0,2,0,0,0,0|2,0,0]=4 1506 B12R1.1703 C1=CC(=C(C=C1F)F)C(=O)CCl PI-28595 [0,2,0,0,0,0|2,0,0]=4 1507 B12R1.1703 C1=CC(=C(C=C1F)F)C(=O)CN PI-10228 [0,2,0,0,0,0|2,0,0]=4 1508 B12R1.1703 C1=CC(=C(C=C1F)F)C(=O)NN PI-21139 [0,2,0,0,0,0|2,0,0]=4 1509 B12R1.1703 C1=CC(=C(C=C1N)O)C(=O)NN PI-50258 [0,2,0,0,0,0|1,0,0]=3 1510 B12R1.1703 C1=CC(=C(C=C1O)F)C(=NO)N PI-36321 [0,2,0,0,0,0|2,0,0]=4 1511 B12R1.1703 C1=CC(=C(C=C1O)O)C(=O)CBr PI-30376 [0,2,0,0,0,0|1,0,0]=3 1512 B12R1.1703 C1=CC(=C(C=C1O)O)C(=O)CCl PI-50684 [0,2,0,0,0,0|1,0,0]=3 1513 B12R1.1703 C1=CC(=C(C=C1O)O)C(=O)NN PI-50279 [0,2,0,0,0,0|1,0,0]=3 1514 B12R1.1703 CC(=NO)C1=C(C=C(C=C1)Cl)Cl PI-20999 [0,2,0,0,0,0|2,0,0]=4 1515 B12R1.1703 CC1=C(C=CC(=C1)Cl)C(=O)OC PI-50465 [0,2,0,0,0,0|1,0,0]=3 1516 B12R1.1703 CC1=C(C=CC(=C1)F)C(=O)OC PI-50475 [0,2,0,0,0,0|1,0,0]=3 1517 B12R1.1703 CC1=CC(=C(C=C1)C(=O)CBr)C PI-29413 [0,2,0,0,0,0|2,0,0]=4 1518 B12R1.1703 CC1=CC(=C(C=C1)C(=O)OC)O PI-28558 [0,2,0,0,0,0|0,0,0]=2 1519 B12R1.1703 CC1=CC(=CN=C1C(=O)OC)Br PI-48295 [0,2,0,0,0,0|2,0,0]=4 1520 B12R1.1703 CCC(=O)C1=C(C=C(C=C1)Cl)Cl PI-17228 [0,2,0,0,0,0|2,0,0]=4 1521 B12R1.1703 CCC(=O)c1ccc(cc1F)F PI-28864 [0,2,0,0,0,0|2,0,0]=4 1522 B12R1.1703 CNC(=O)C1=C(F)C=C(Br)C=C1 PI-39273 [0,2,0,0,0,0|2,0,0]=4 1523 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Br)Cl PI-50469 [0,2,0,0,0,0|1,0,0]=3 1524 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Br)N PI-33943 [0,2,0,0,0,0|1,0,0]=3 1525 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Br)O PI-43951 [0,2,0,0,0,0|0,0,0]=2 1526 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Cl)Cl PI-30511 [0,2,0,0,0,0|1,0,0]=3 1527 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Cl)F PI-44533 [0,2,0,0,0,0|1,0,0]=3 1528 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Cl)N PI-11781 [0,2,0,0,0,0|1,0,0]=3 1529 B12R1.1703 COC(=O)C1=C(C=C(C=C1)F)Cl PI-33820 [0,2,0,0,0,0|1,0,0]=3 1530 B12R1.1703 COC(=O)C1=C(C=C(C=C1)F)F PI-28041 [0,2,0,0,0,0|1,0,0]=3 1531 B12R1.1703 COC(=O)C1=C(C=C(C=C1)N)Cl PI-33942 [0,2,0,0,0,0|1,0,0]=3 1532 B12R1.1703 COC(=O)C1=C(C=C(C=C1)N)O PI-18539 [0,2,0,0,0,0|0,0,0]=2 1533 B12R1.1703 COC(=O)C1=C(C=C(C=C1)O)Cl PI-36171 [0,2,0,0,0,0|1,0,0]=3 1534 B12R1.1703 COC(=O)C1=C(C=C(C=C1)O)O PI-10048 [0,2,0,0,0,0|0,0,0]=2 1535 B12R1.1703 COC(=O)C1=NC=C(C=C1Cl)Br PI-44607 [0,2,0,0,0,0|2,0,0]=4 1536 B12R1.1703 COC(=O)c1cnc(cc1Cl)Cl PI-33141 [0,2,0,0,0,0|2,0,0]=4 1537 B12R1.1703 NC1=CC(=C(C(=O)OC)C=C1)C PI-42589 [0,2,0,0,0,0|1,0,0]=3 1538 B12R1.1703 O=C(NC)C1=CC=C(N)C=C1F PI-42389 [0,2,0,0,0,0|2,0,0]=4 1539 B12R1.354 C1=CC(=C(C=C1Br)C(=O)NN)O PI-50602 [0,2,0,0,0,0|1,0,0]=3 1540 B12R1.354 C1=CC(=C(C=C1Cl)C(=O)NN)Cl PI-30842 [0,2,0,0,0,0|2,0,0]=4 1541 B12R1.354 C1=CC(=C(C=C1Cl)C(=O)NN)N PI-50274 [0,2,0,0,0,0|2,0,0]=4 1542 B12R1.354 C1=CC(=C(C=C1Cl)C(=O)NO)O PI-30543 [0,2,0,0,0,0|0,0,0]=2 1543 B12R1.354 C1=CC(=C(C=C1F)C(=O)CBr)O PI-21450 [0,2,0,0,0,0|1,0,0]=3 1544 B12R1.354 C1=CC(=C(C=C1O)C(=O)CBr)O PI-31569 [0,2,0,0,0,0|1,0,0]=3 1545 B12R1.354 CC1=C(C=C(C=C1)F)C(=O)OC PI-35260 [0,2,0,0,0,0|1,0,0]=3 1546 B12R1.354 CC1=CC(=C(C=C1)N)C(=O)NN PI-19389 [0,2,0,0,0,0|2,0,0]=4 1547 B12R1.354 CC1=CC(=C(C=C1)O)C(=O)OC PI-28293 [0,2,0,0,0,0|0,0,0]=2 1548 B12R1.354 CCC(=O)C1=C(C=CC(=C1)Cl)O PI-17699 [0,2,0,0,0,0|1,0,0]=3 1549 B12R1.354 CCC(=O)c1cc(Br)ccc1O PI-21516 [0,2,0,0,0,0|1,0,0]=3 1550 B12R1.354 CCC(=O)c1cc(C)ccc1O PI-20819 [0,2,0,0,0,0|1,0,0]=3 1551 B12R1.354 CCC(=O)c1cc(O)ccc1O PI-17243 [0,2,0,0,0,0|1,0,0]=3 1552 B12R1.354 COC(=O)C1=C(C=CC(=C1)Br)I PI-40379 [0,2,0,0,0,0|1,0,0]=3 1553 B12R1.354 COC(=O)C1=C(C=CC(=C1)Br)O PI-50603 [0,2,0,0,0,0|0,0,0]=2 1554 B12R1.354 COC(=O)C1=C(C=CC(=C1)Cl)Cl PI-50468 [0,2,0,0,0,0|1,0,0]=3 1555 B12R1.354 COC(=O)C1=C(C=CC(=C1)Cl)N PI-18615 [0,2,0,0,0,0|1,0,0]=3 1556 B12R1.354 COC(=O)C1=C(C=CC(=C1)Cl)O PI-18529 [0,2,0,0,0,0|0,0,0]=2 1557 B12R1.354 COC(=O)C1=C(C=CC(=C1)F)N PI-21369 [0,2,0,0,0,0|1,0,0]=3 1558 B12R1.354 COC(=O)C1=C(C=CC(=C1)O)N PI-50229 [0,2,0,0,0,0|1,0,0]=3 1559 B12R1.354 COC(=O)C1=C(C=CC(=C1)O)O PI-13745 [0,2,0,0,0,0|0,0,0]=2 1560 B12R1.354 COC(=O)C1=CC(=CNC1=O)Br PI-40202 [0,2,0,0,0,0|1,0,1]=4 1561 B12R1.354 COC(=O)C1=CC(=NC=C1Br)N PI-49441 [0,2,0,0,0,0|2,0,0]=4 1562 B12R1.354 COC(=O)c1cc(Br)ccc1N PI-10941 [0,2,0,0,0,0|1,0,0]=3 1563 B12R1.354 COC(=O)c1cc(Br)cnc1Cl PI-33163 [0,2,0,0,0,0|2,0,0]=4 1564 B12R1.354 COC(=O)c1cc(Cl)ccc1Br PI-34137 [0,2,0,0,0,0|1,0,0]=3 1565 B12R1.354 COC(=O)c1cc(Cl)cnc1Cl PI-36933 [0,2,0,0,0,0|2,0,0]=4 1566 B12R1.354 COC(=O)c1cc(I)cnc1Cl PI-38829 [0,2,0,0,0,0|2,0,0]=4 1567 B12R1.354 Cc1ccc(N)cc1C(=O)OC PI-32080 [0,2,0,0,0,0|1,0,0]=3 1568 B12R1.354 Clc1ccc(Cl)cc1C(=O)CBr PI-31568 [0,2,0,0,0,0|2,0,0]=4 1569 B12R1.354 O=C(OC)C1=CC(O)=NC=C1Br PI-37406 [0,2,0,0,0,0|2,0,0]=4 1570 B12R1.354 OC1=CC=C(Br)C=C1C(CBr)=O PI-20573 [0,2,0,0,0,0|1,0,0]=3 1571 B12R1.354 Oc1ccc(Cl)cc1C(=O)CBr PI-20638 [0,2,0,0,0,0|1,0,0]=3 1572 B12R1.453 C1=CC(=C(C=C1C#N)[N+](=O)[O-])O PI-27483 [0,2,0,0,0,0|1,0,1]=4 1573 B12R1.453 C1=CC(=C(C=C1C=O)C(=O)O)F PI-42451 [0,2,0,0,0,0|1,0,0]=3 1574 B12R1.453 C1=CC(=C(C=C1CO)[N+](=O)[O-])O PI-20830 [0,2,0,0,0,0|1,0,1]=4 1575 B12R1.453 CC(=O)C1=C(C=CC(=C1)C#N)O PI-35466 [0,2,0,0,0,0|1,0,0]=3 1576 B12R1.453 CCC1=CC(=C(C=C1)O)C(=O)C PI-29391 [0,2,0,0,0,0|1,0,0]=3 1577 B12R1.453 COC1=CC(=C(C=C1)Br)C(=O)Cl PI-21556 [0,2,0,0,0,0|2,0,0]=4 1578 B12R1.453 COC1=CC(=C(C=C1)Br)C(=O)O PI-30340 [0,2,0,0,0,0|1,0,0]=3 1579 B12R1.453 COC1=CC(=C(C=C1)O)[N+](=O)[O-] PI-29161 [0,2,0,0,0,0|1,0,1]=4 1580 B12R1.453 COC1=NC=C(C(=C1)C(=O)O)N PI-26230 [0,2,0,0,0,0|2,0,0]=4 1581 B12R1.453 COc1ccc(N)c(c1)C(=O)O PI-16410 [0,2,0,0,0,0|1,0,0]=3 1582 B12R1.453 COc1ccc(c(c1)C(=O)C)O PI-29865 [0,2,0,0,0,0|1,0,0]=3 1583 B12R1.453 COc1ccc(c(c1)C(=O)O)Cl PI-18773 [0,2,0,0,0,0|1,0,0]=3 1584 B12R1.453 O=C(O)C1=CC(CC)=CC=C1N PI-42626 [0,2,0,0,0,0|1,0,0]=3 1585 B12R1.453 O=C(O)C1=CC(OC)=CC=C1S PI-37112 [0,2,0,0,0,0|0,1,0]=3 1586 B12R1.453 O=Cc1ccc(c(c1)[N+](=O)[O-])O PI-20825 [0,2,0,0,0,0|1,0,1]=4 1587 B12R1.308 C1=CC=C(C(=C1)C(=O)CC#N)Br PI-50632 [0,2,0,0,0,0|2,0,0]=4 1588 B12R1.308 C1=CC=C(C(=C1)C(=O)CC#N)Cl PI-30575 [0,2,0,0,0,0|2,0,0]=4 1589 B12R1.308 C1=CC=C(C(=C1)C(=O)CC#N)F PI-34244 [0,2,0,0,0,0|2,0,0]=4 1590 B12R1.308 C1=CC=C(C(=C1)C(=O)N=C=S)Cl PI-23159 [0,2,0,0,0,0|1,1,0]=4 1591 B12R1.308 CCCC(=O)C1=CC=CC=C1O PI-15453 [0,2,0,0,0,0|1,0,0]=3 1592 B12R1.308 CCOC(=O)C1=C(C=NC=C1)N PI-35281 [0,2,0,0,0,0|2,0,0]=4 1593 B12R1.308 CCOC(=O)C1=C(N=CC=C1)C PI-18257 [0,2,0,0,0,0|2,0,0]=4 1594 B12R1.308 CCOC(=O)C1=CC=CC=C1Br PI-50232 [0,2,0,0,0,0|1,0,0]=3 1595 B12R1.308 CCOC(=O)C1=CC=CC=C1C PI-50249 [0,2,0,0,0,0|1,0,0]=3 1596 B12R1.308 CCOC(=O)C1=CC=CC=C1Cl PI-19869 [0,2,0,0,0,0|1,0,0]=3 1597 B12R1.308 CCOC(=O)C1=CC=CC=C1F PI-34135 [0,2,0,0,0,0|1,0,0]=3 1598 B12R1.308 CCOC(=O)C1=CC=CC=C1I PI-50555 [0,2,0,0,0,0|1,0,0]=3 1599 B12R1.308 NC1=C(C(=O)OCC)C=CC=N1 PI-34709 [0,2,0,0,0,0|2,0,0]=4 1600 B10R1.18 C1=CC=NC(=C1)CC(=O)O PI-16725 [0,0,1,1,0,0|1,0,1]=4 1601 B10R1.66 C1=COC(=C1)C=C[N+](=O)[O-] PI-17051 [0,0,1,1,0,0|1,0,1]=4 1602 B10R1.66 C1=COC=C1C=CC(=O)O PI-17379 [0,0,1,1,0,0|2,0,0]=4 1603 B10R1.66 C1=CSC=C1C=CC(=O)O PI-29082 [0,0,1,1,0,0|2,0,0]=4 1604 B10R1.66 CC(=O)C=CC1=CC=CO1 PI-17492 [0,0,1,1,0,0|1,0,0]=3 1605 B10R1.66 CC(=O)C=CC1=CC=CS1 PI-29954 [0,0,1,1,0,0|1,1,0]=4 1606 B10R1.66 OC(=O)\C=C\c1c[nH]cn1 PI-27057 [0,0,1,1,0,0|2,0,0]=4 1607 B10R1.66 OC(=O)\C=C\c1ccco1 PI-28626 [0,0,1,1,0,0|0,0,0]=2 1608 B10R1.66 OC(=O)\C=C\c1ccco1 PI-31027 [0,0,1,1,0,0|0,0,0]=2 1609 B10R1.66 OC(=O)\C=C\c1cccs1 PI-28053 [0,0,1,1,0,0|0,1,0]=3 1610 B10R1.66 OC(=O)\C=C\c1cccs1 PI-39126 [0,0,1,1,0,0|0,1,0]=3 1611 B10R1.8 O=Cc1cc(O)cc(O)c1 PI-11898 [0,0,1,1,0,0|2,0,0]=4 1612 B10R1.23 OC(=O)C(=O)c1cccs1 PI-12233 [0,0,1,1,0,0|1,1,0]=4 1613 B10R2.6 O1C[C@@H]1c2ccccc2 PI-10841 [1,0,0,1,0,0|1,0,1]=4 1614 B10R2.6 O1C[C@H]1c2ccccc2 PI-10838 [1,0,0,1,0,0|1,0,1]=4 1615 B10R2.320 C1=CC=CC2=C1CC2=O PI-40938 [1,0,0,1,0,0|1,0,0]=3 1616 B10R2.7 C1=CC=C2C(=C1)C=CN2 PI-44715 [1,0,0,1,0,0|2,0,0]=4 1617 B10R2.7 C1=CC=C2C(=C1)N=CO2 PI-47002 [1,0,0,1,0,0|2,0,0]=4 1618 B10R2.7 C1COC2=CC=CC=C21 PI-21250 [1,0,0,1,0,0|1,0,1]=4 1619 B10R2.7 [B]1OC2=CC=CC=C2O1 PI-50000 [1,0,0,1,0,0|2,0,0]=4 1620 B10R2.7 c1ccc2c(c1)[nH]nc2 PI-31379 [1,0,0,1,0,0|2,0,0]=4 1621 B10R2.7 c1ccc2c(c1)non2 PI-38745 [1,0,0,1,0,0|2,0,0]=4 1622 B10R2.7 c1ccc2ccsc2c1 PI-14247 [1,0,0,1,0,0|1,1,0]=4 1623 B12R2.24 C1=CC2=CC(=O)NC=C2C=C1 PI-29911 [0,0,0,1,0,1|2,0,0]=4 1624 B12R2.24 C1=CC=C2C(=C1)C=C(C=N2)O PI-35162 [0,0,0,1,0,1|2,0,0]=4 1625 B12R2.24 C1=CC=C2C(=C1)NC(=O)C=N2 PI-49857 [0,0,0,1,0,1|2,0,0]=4 1626 B12R2.24 C1C(=O)NC2=CC=CC=C2N1 PI-50558 [0,0,0,1,0,1|2,0,0]=4 1627 B12R2.24 O=C1CCc2c(C1)cccc2 PI-18642 [0,0,0,1,0,1|2,0,0]=4 1628 B12R2.24 O=C1CCc2c(N1)cccc2 PI-29698 [0,0,0,1,0,1|2,0,0]=4 1629 B12R2.24 O=C1CSc2c(N1)cccc2 PI-14812 [0,0,0,1,0,1|1,1,0]=4 1630 B12R2.24 O=C1OCc2ccccc2C1 PI-10151 [0,0,0,1,0,1|1,0,0]=3 1631 B12R2.24 Oc1ccc2c(n1)cccc2 PI-17352 [0,0,0,1,0,1|2,0,0]=4 1632 B12R2.202 C1=CC(=C2C(=C1)SC(=O)N2)F PI-45347 [0,0,0,1,0,1|1,1,0]=4 1633 B12R2.202 C1=CC2=C(C(=C1)Cl)SC(=O)N2 PI-45344 [0,0,0,1,0,1|2,0,0]=4 1634 B12R2.202 C1C(=O)CC2=C1C=CC=C2Br PI-32756 [0,0,0,1,0,1|2,0,0]=4 1635 B12R2.202 C1C(=O)CC2=C1C=CC=C2Cl PI-32755 [0,0,0,1,0,1|2,0,0]=4 1636 B12R2.202 C1C2=C(C(=CC=C2)Cl)NC1=O PI-33957 [0,0,0,1,0,1|2,0,0]=4 1637 B12R2.202 CC1=C2C(=CC=C1)SC(=O)N2 PI-45350 [0,0,0,1,0,1|1,1,0]=4 1638 B12R2.202 CC1=CC2=C(N1)C=CC=C2O PI-18492 [0,0,0,1,0,1|2,0,0]=4 1639 B12R2.202 O=C1NC2=C(C=CC=C2F)C1 PI-40280 [0,0,0,1,0,1|2,0,0]=4 1640 B12R2.202 Oc1sc2c(n1)c(Cl)ccc2 PI-11976 [0,0,0,1,0,1|1,1,0]=4 1641 B12R2.3190 C1C(C2=CC=CC=C21)C(=O)O PI-40937 [0,0,0,1,0,1|1,0,0]=3 1642 B12R2.1081 C1=CC=C2C(=C1)C(=O)C=CN2 PI-16442 [0,1,0,1,0,0|2,0,0]=4 1643 B12R2.1081 C1=CC=C2C(=C1)C(=O)C=CO2 PI-15386 [0,1,0,1,0,0|1,0,0]=3 1644 B12R2.1081 C1=CC=CC2=C1C(=O)NC=C2 PI-11697 [0,1,0,1,0,0|2,0,0]=4 1645 B12R2.1081 C1CC2=CC=CC=C2C(=O)C1 PI-32512 [0,1,0,1,0,0|2,0,0]=4 1646 B12R2.1081 C1CNC(=O)C2=CC=CC=C21 PI-35016 [0,1,0,1,0,0|2,0,0]=4 1647 B12R2.1081 C1CNC2=CC=CC=C2C1=O PI-44146 [0,1,0,1,0,0|2,0,0]=4 1648 B12R2.1081 C1CSC2=CC=CC=C2C1=O PI-44168 [0,1,0,1,0,0|1,1,0]=4 1649 B12R2.1081 O=C1CCOc2c1cccc2 PI-10312 [0,1,0,1,0,0|1,0,0]=3 1650 B12R2.1081 O=C1NN=NC2=CC=CC=C12 PI-40803 [0,1,0,1,0,0|2,0,0]=4 1651 B12R2.2028 C1=CC2=C(C(=O)OC2=O)N=C1 PI-16702 [0,1,0,1,0,0|1,0,1]=4 1652 B12R2.2028 C1=CC=C2C(=C1)C(OC2=O)Br PI-22576 [0,1,0,1,0,0|1,0,0]=3 1653 B12R2.2028 C1=CC=C2C(=C1)C(OC2=O)O PI-44675 [0,1,0,1,0,0|0,0,0]=2 1654 B12R2.2028 C1C(=O)C2=CC=CC=C2C1=O PI-31372 [0,1,0,1,0,0|1,0,1]=4 1655 B12R2.2028 O=C1NC(=O)c2c1cccc2 PI-33124 [0,1,0,1,0,0|1,0,1]=4 1656 B12R2.2403 O=S1(OCC2=CC=CC=C12)=O PI-40748 [0,1,0,1,0,0|1,0,1]=4 1657 B12R2.203 C1=CC2=C(C(=C1)Cl)C(=O)NO2 PI-34869 [0,1,0,1,0,0|1,0,0]=3 1658 B12R2.203 C1C(=O)C2=C(O1)C=CC=C2Cl PI-32752 [0,1,0,1,0,0|1,0,0]=3 1659 B12R2.203 C1CC(=O)C2=C1C=CC=C2F PI-32734 [0,1,0,1,0,0|2,0,0]=4 1660 B12R2.203 C1CC(=O)C2=C1C=CC=C2I PI-32736 [0,1,0,1,0,0|2,0,0]=4 1661 B12R2.203 O=C1CCc2c1c(Br)ccc2 PI-32735 [0,1,0,1,0,0|2,0,0]=4 1662 B12R2.203 O=C1CCc2c1c(Cl)ccc2 PI-31373 [0,1,0,1,0,0|2,0,0]=4 1663 B12R2.196 BrC1=C2C(C(CS2)=O)=CC=C1 PI-38352 [0,1,0,1,0,0|1,1,0]=4 1664 B12R2.196 C1C(=O)C2=C(O1)C(=CC=C2)I PI-32748 [0,1,0,1,0,0|1,0,0]=3 1665 B12R2.196 C1CC(=O)C2=C1C(=CC=C2)Cl PI-32730 [0,1,0,1,0,0|2,0,0]=4 1666 B12R2.196 C1CC(=O)C2=C1C(=CC=C2)F PI-32729 [0,1,0,1,0,0|2,0,0]=4 1667 B12R2.196 C1CC(=O)C2=C1C(=CC=C2)I PI-32731 [0,1,0,1,0,0|2,0,0]=4 1668 B12R2.196 C1CC(=O)C2=C1C(=CC=C2)O PI-40573 [0,1,0,1,0,0|2,0,0]=4 1669 B12R2.196 CC1=C2CCC(=O)C2=CC=C1 PI-42676 [0,1,0,1,0,0|2,0,0]=4 1670 B12R2.196 O=C1CCc2c1cccc2Br PI-21520 [0,1,0,1,0,0|2,0,0]=4 1671 B12R2.196 O=C1COc2c1cccc2Br PI-32747 [0,1,0,1,0,0|1,0,0]=3 1672 B12R2.612 Brc1ccc2c(c1)CNC2=O PI-39318 [0,1,0,1,0,0|2,0,0]=4 1673 B12R2.612 Brc1ccc2c(c1)onc2Cl PI-39037 [0,1,0,1,0,0|2,0,0]=4 1674 B12R2.612 C1=C(Br)C=CC2=C1CCC2=O PI-21521 [0,1,0,1,0,0|2,0,0]=4 1675 B12R2.612 C1C(=O)C2=C(O1)C=C(C=C2)O PI-17763 [0,1,0,1,0,0|1,0,0]=3 1676 B12R2.612 C1C2=C(C=CC(=C2)Br)C(=O)O1 PI-11635 [0,1,0,1,0,0|1,0,0]=3 1677 B12R2.612 C1C2=C(C=CC(=C2)N)C(=O)N1 PI-36570 [0,1,0,1,0,0|2,0,0]=4 1678 B12R2.612 C1C2=C(C=CC(=C2)N)C(=O)O1 PI-17686 [0,1,0,1,0,0|1,0,0]=3 1679 B12R2.612 C1CC(=O)C2=C1C=C(C=C2)F PI-16849 [0,1,0,1,0,0|2,0,0]=4 1680 B12R2.612 C1CC(=O)C2=C1C=C(C=C2)I PI-32739 [0,1,0,1,0,0|2,0,0]=4 1681 B12R2.612 Clc1ccc2C(=O)CCc2c1 PI-31195 [0,1,0,1,0,0|2,0,0]=4 1682 B12R2.612 Nc1ccc2C(=O)CCc2c1 PI-14100 [0,1,0,1,0,0|2,0,0]=4 1683 B12R2.612 O=C1CCC2=C1C=CC(C)=C2 PI-40563 [0,1,0,1,0,0|2,0,0]=4 1684 B12R2.612 O=C1NCC2=C1C=CC(O)=C2 PI-46708 [0,1,0,1,0,0|2,0,0]=4 1685 B12R2.612 O=C1OCC2=C1C=CC(Cl)=C2 PI-40884 [0,1,0,1,0,0|1,0,0]=3 1686 B12R2.612 Oc1ccc2C(=O)CCc2c1 PI-11505 [0,1,0,1,0,0|2,0,0]=4 1687 B12R2.132 Brc1ccc2CCC(=O)c2c1 PI-32742 [0,1,0,1,0,0|2,0,0]=4 1688 B12R2.132 Brc1ccc2OCC(=O)c2c1 PI-36911 [0,1,0,1,0,0|1,0,0]=3 1689 B12R2.132 Brc1ccc2c(c1)C(=O)NC2 PI-39244 [0,1,0,1,0,0|2,0,0]=4 1690 B12R2.132 C1C2=C(C=C(C=C2)N)C(=O)O1 PI-30728 [0,1,0,1,0,0|1,0,0]=3 1691 B12R2.132 C1CC(=O)C2=C1C=CC(=C2)I PI-32743 [0,1,0,1,0,0|2,0,0]=4 1692 B12R2.132 C1CC(=O)C2=C1C=CC(=C2)N PI-34587 [0,1,0,1,0,0|2,0,0]=4 1693 B12R2.132 CC1=COC2=C1C=C(C=C2)O PI-44179 [0,1,0,1,0,0|2,0,0]=4 1694 B12R2.132 Clc1ccc2c(c1)C(=O)CC2 PI-32741 [0,1,0,1,0,0|2,0,0]=4 1695 B12R2.132 Fc1ccc2c(c1)C(=O)CC2 PI-16850 [0,1,0,1,0,0|2,0,0]=4 1696 B12R2.132 O=C1CCC2=C1C=C(O)C=C2 PI-37330 [0,1,0,1,0,0|2,0,0]=4 1697 B12R2.1 BrCC1=NOC2=CC=CC=C12 PI-42779 [0,1,0,1,0,0|2,0,0]=4 1698 B12R2.1 C1=CC=C2C(=C1)C(=CN2)C=O PI-16169 [0,1,0,1,0,0|2,0,0]=4 1699 B12R2.1 C1=CC=C2C(=C1)C(=CS2)C=O PI-18657 [0,1,0,1,0,0|1,1,0]=4 1700 B12R2.1 C1=CC=C2C(=C1)C(=NO2)CO PI-48272 [0,1,0,1,0,0|1,0,0]=3 1701 B12R2.1 C1CC(=NO)C2=CC=CC=C21 PI-16549 [0,1,0,1,0,0|2,0,0]=4 1702 B12R2.1 O=Cc1coc2c1cccc2 PI-39293 [0,1,0,1,0,0|1,0,0]=3 1703 B12R2.1 OCc1c[nH]c2c1cccc2 PI-16182 [0,1,0,1,0,0|2,0,0]=4 1704 B12R2.18 C1C(C(=O)C2=CC=CC=C21)Br PI-30227 [0,1,0,1,0,0|2,0,0]=4 1705 B12R2.18 O=C1C(=O)Nc2ccccc12 PI-31744 [0,1,0,1,0,0|1,0,1]=4 1706 B12R2.18 O=C1OC2=CC=CC=C2C1C PI-37207 [0,1,0,1,0,0|1,0,1]=4 1707 B8R1.7 C1=C(C=NO1)C(=O)O PI-14897 [1,0,0,0,1,0|2,0,0]=4 1708 B8R1.7 C1=C(NC=N1)C(=O)O PI-31349 [1,0,0,0,1,0|2,0,0]=4 1709 B8R1.7 C1=C(SC=N1)C(=O)O PI-25160 [1,0,0,0,1,0|2,0,0]=4 1710 B8R1.7 C1=CN=C(N1)C(=O)O PI-40003 [1,0,0,0,1,0|2,0,0]=4 1711 B8R1.7 C1=CNC=C1C(=O)O PI-34087 [1,0,0,0,1,0|1,0,0]=3 1712 B8R1.7 C1=CNC=C1C(=O)O PI-48299 [1,0,0,0,1,0|1,0,0]=3 1713 B8R1.7 C1=COC(=C1)C(=O)N PI-17349 [1,0,0,0,1,0|2,0,0]=4 1714 B8R1.7 C1=COC=C1C(=O)Cl PI-46981 [1,0,0,0,1,0|2,0,0]=4 1715 B8R1.7 C1=COC=C1C(=O)O PI-16502 [1,0,0,0,1,0|1,0,0]=3 1716 B8R1.7 C1=CON=C1C(=O)O PI-48871 [1,0,0,0,1,0|2,0,0]=4 1717 B8R1.7 C1=CSC(=C1)C(=O)N PI-50586 [1,0,0,0,1,0|2,0,0]=4 1718 B8R1.7 C1=CSC(=C1)C(=O)[O-] PI-11153 [1,0,0,0,1,0|1,0,1]=4 1719 B8R1.7 CC(=O)C1=CC=CN1 PI-12083 [1,0,0,0,1,0|2,0,0]=4 1720 B8R1.7 CC(=O)c1cscc1 PI-16499 [1,0,0,0,1,0|2,0,0]=4 1721 B8R1.7 ClC(=O)c1cscc1 PI-10762 [1,0,0,0,1,0|2,0,0]=4 1722 B8R1.7 OC(=O)c1c[nH]nc1 PI-32193 [1,0,0,0,1,0|2,0,0]=4 1723 B8R1.7 OC(=O)c1cc[nH]n1 PI-34779 [1,0,0,0,1,0|2,0,0]=4 1724 B8R1.7 OC(=O)c1ccc[nH]1 PI-27813 [1,0,0,0,1,0|1,0,0]=3 1725 B8R1.7 OC(=O)c1cccs1 PI-38239 [1,0,0,0,1,0|1,0,0]=3 1726 B8R1.7 OC(=O)c1ccno1 PI-29335 [1,0,0,0,1,0|2,0,0]=4 1727 B8R1.7 OC(=O)c1cocn1 PI-43182 [1,0,0,0,1,0|2,0,0]=4 1728 B8R1.7 OC(=O)c1cscc1 PI-10764 [1,0,0,0,1,0|1,0,0]=3 1729 B8R1.7 OC(=O)c1cscn1 PI-28011 [1,0,0,0,1,0|2,0,0]=4 1730 B8R1.11 Brc1cscc1C=O PI-36834 [1,0,0,0,1,0|2,0,0]=4 1731 B8R1.11 C1=CSC(=C1Br)C=O PI-22616 [1,0,0,0,1,0|2,0,0]=4 1732 B8R1.11 C1=CSC(=C1Cl)C=O PI-42060 [1,0,0,0,1,0|2,0,0]=4 1733 B8R1.11 CC1=C(SC=C1)C=O PI-10802 [1,0,0,0,1,0|2,0,0]=4 1734 B8R1.11 CN1C=CC=C1C=O PI-33707 [1,0,0,0,1,0|2,0,0]=4 1735 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)Cl)Cl PI-20015 [0,0,0,0,0,2|2,0,0]=4 1736 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)O)Cl PI-23702 [0,0,0,0,0,2|1,0,0]=3 1737 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)O)F PI-31196 [0,0,0,0,0,2|1,0,0]=3 1738 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)Cl PI-16404 [0,0,0,0,0,2|1,0,0]=3 1739 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)F PI-16997 [0,0,0,0,0,2|1,0,0]=3 1740 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)O PI-20847 [0,0,0,0,0,2|0,0,0]=2 1741 B12R1.125 C1=CC=C(C(=C1)OCC(=O)O)Cl PI-32617 [0,0,0,0,0,2|1,0,0]=3 1742 B12R1.125 CC1=CC=CC=C1CCC(=O)O PI-24240 [0,0,0,0,0,2|1,0,0]=3 1743 B12R1.125 CC1=CC=CC=C1OCC(=O)O PI-30248 [0,0,0,0,0,2|1,0,0]=3 1744 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O PI-11520 [0,0,0,0,0,2|0,0,0]=2 1745 B12R1.125 OC(=O)CCc1ccccc1Br PI-22537 [0,0,0,0,0,2|1,0,0]=3 1746 B12R1.125 OC(=O)\C=C\c1ccccc1C PI-11522 [0,0,0,0,0,2|1,0,0]=3