0 B10R1.119 C1=CC(=C(C(=C1F)O)F)F PI-16880 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.119 CC1=C(C(=C(C=C1)C)F)C PI-19379 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.119 CC1=C(C(=C(C=C1)Cl)Br)Cl PI-21604 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.119 CC1=C(C(=C(C=C1)Cl)C)N PI-30403 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.119 CC1=C(C(=C(C=C1)Cl)N)Cl PI-13570 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.119 CC1=C(C(=C(C=C1)N)Cl)O PI-16013 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.119 CC1=C(C(=C(C=C1)N)N)C PI-17413 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.119 CC1=C(C=CC(=C1C)F)N PI-19202 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.119 CC1=C(C=CC(=C1C)O)N PI-27460 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.119 CC1=C(C=CC(=C1Cl)Br)N PI-20643 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.119 CC1=C(C=CC(=C1Cl)Cl)Cl PI-34318 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.119 CC1=CC=C(Cl)C(Cl)=C1Cl PI-24595 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.119 CN1C=CC(=O)N(C1=O)C PI-10073 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.119 Cc1ccc(F)c(F)c1F PI-33076 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.119 Clc1cc[n+](c(c1C)C)[O-] PI-16714 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.119 Cn1ccc(=O)c(c1C)O PI-11673 [0,0,0,0,0,0|0,0,0]=0 16 B10R1.119 Fc1ccc(c(c1C)F)Br PI-19325 [0,0,0,0,0,0|4,0,0]=4 17 B10R1.119 Oc1ccc(O)c(C)c1C PI-10300 [0,0,0,0,0,0|3,0,1]=4 18 B9R1.3 Brc1c(O)cccc1F PI-27596 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.3 Brc1cccc(c1C)Br PI-30854 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.3 C1=C(C(=C(C=C1)F)O)O PI-19501 [1,0,0,0,0,0|2,0,1]=4 21 B9R1.3 C1=CC(=C(C(=C1)Br)Cl)O PI-34265 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.3 C1=CC(=C(C(=C1)Br)I)O PI-44588 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.3 C1=CC(=C(C(=C1)Br)O)F PI-10646 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.3 C1=CC(=C(C(=C1)Br)O)N PI-33348 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.3 C1=CC(=C(C(=C1)Cl)O)F PI-16877 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.3 C1=CC(=C(C(=C1)O)Cl)N PI-34749 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.3 C1=CC(=C(C(=C1)O)F)N PI-49267 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.3 C1=CC=C(C(=C1Br)C)N PI-19715 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.3 C1=CC=C(O)C(=C1O)Cl PI-10240 [1,0,0,0,0,0|3,0,0]=4 30 B9R1.3 CC1=C(C(=CC=C1)Br)F PI-10666 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.3 CC1=C(C(=CC=C1)Br)N PI-21583 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.3 CC1=C(C(=CC=C1)Br)O PI-46963 [1,0,0,0,0,0|2,0,0]=3 33 B9R1.3 CC1=C(C(=CC=C1)C)Cl PI-11596 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.3 CC1=C(C(=CC=C1)C)F PI-11594 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.3 CC1=C(C(=CC=C1)C)O PI-48960 [1,0,0,0,0,0|2,0,0]=3 36 B9R1.3 CC1=C(C(=CC=C1)C)S PI-19078 [1,0,0,0,0,0|2,1,0]=4 37 B9R1.3 CC1=C(C(=CC=C1)Cl)Br PI-19844 [1,0,0,0,0,0|3,0,0]=4 38 B9R1.3 CC1=C(C(=CC=C1)Cl)F PI-28868 [1,0,0,0,0,0|3,0,0]=4 39 B9R1.3 CC1=C(C(=CC=C1)Cl)I PI-19664 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.3 CC1=C(C(=CC=C1)F)Br PI-33074 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.3 CC1=C(C(=CC=C1)F)F PI-16367 [1,0,0,0,0,0|3,0,0]=4 42 B9R1.3 CC1=C(C(=CC=C1)F)I PI-34489 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.3 CC1=C(C(=CC=C1)F)N PI-10462 [1,0,0,0,0,0|3,0,0]=4 44 B9R1.3 CC1=C(C(=CC=C1)I)F PI-10671 [1,0,0,0,0,0|3,0,0]=4 45 B9R1.3 CC1=C(C(=CC=C1)N)C PI-27689 [1,0,0,0,0,0|2,0,0]=3 46 B9R1.3 CC1=C(C(=CC=C1)N)F PI-28254 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.3 CC1=C(C(=CC=C1)N)N PI-20954 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.3 CC1=C(C(=CC=C1)N)O PI-42097 [1,0,0,0,0,0|2,0,0]=3 49 B9R1.3 CC1=C(C(=CC=C1)O)Cl PI-42107 [1,0,0,0,0,0|2,0,0]=3 50 B9R1.3 CC1=C(C(=NC=N1)C)O PI-45131 [1,0,0,0,0,0|2,0,1]=4 51 B9R1.3 CC1=C(C(=O)NC=N1)I PI-47321 [1,0,0,0,0,0|2,0,1]=4 52 B9R1.3 CC1=C(C)C(F)=CC=C1 PI-11597 [1,0,0,0,0,0|2,0,0]=3 53 B9R1.3 CC1=C(C=CC=C1Br)Cl PI-20670 [1,0,0,0,0,0|3,0,0]=4 54 B9R1.3 CC1=C(C=CC=C1Br)F PI-10665 [1,0,0,0,0,0|3,0,0]=4 55 B9R1.3 CC1=C(C=CC=C1F)F PI-10670 [1,0,0,0,0,0|3,0,0]=4 56 B9R1.3 CC1=C(C=CC=C1F)N PI-28534 [1,0,0,0,0,0|3,0,0]=4 57 B9R1.3 CC1=C(C=CC=C1F)O PI-33695 [1,0,0,0,0,0|2,0,0]=3 58 B9R1.3 CC1=C(C=CC=C1I)F PI-10674 [1,0,0,0,0,0|3,0,0]=4 59 B9R1.3 CC1=C(Cl)C(Cl)=CC=C1 PI-27484 [1,0,0,0,0,0|3,0,0]=4 60 B9R1.3 Cc1c(C)cccc1Br PI-38905 [1,0,0,0,0,0|2,0,0]=3 61 B9R1.3 Cc1c(F)cccc1Cl PI-33407 [1,0,0,0,0,0|3,0,0]=4 62 B9R1.3 Cc1c(O)cccc1O PI-13269 [1,0,0,0,0,0|2,0,0]=3 63 B9R1.3 Cc1cccc(c1Br)C PI-11595 [1,0,0,0,0,0|3,0,0]=4 64 B9R1.3 Clc1c(O)cccc1Cl PI-37792 [1,0,0,0,0,0|3,0,0]=4 65 B9R1.3 Fc1c(C)cccc1O PI-38225 [1,0,0,0,0,0|2,0,0]=3 66 B9R1.3 Fc1c(O)cccc1F PI-10291 [1,0,0,0,0,0|3,0,0]=4 67 B9R1.3 Nc1c(C)cccc1Cl PI-12044 [1,0,0,0,0,0|3,0,0]=4 68 B9R1.3 Nc1c(C)cccc1O PI-11311 [1,0,0,0,0,0|2,0,0]=3 69 B9R1.3 Nc1c(O)cccc1Br PI-36538 [1,0,0,0,0,0|3,0,0]=4 70 B9R1.3 OC1=C(F)C(Br)=CC=C1 PI-40482 [1,0,0,0,0,0|3,0,0]=4 71 B9R1.3 OC1=C(F)C=CC=C1F PI-16916 [1,0,0,0,0,0|3,0,0]=4 72 B9R1.3 Oc1c(Br)cccc1Br PI-20984 [1,0,0,0,0,0|3,0,0]=4 73 B9R1.3 Oc1c(C)cccc1Cl PI-20168 [1,0,0,0,0,0|2,0,0]=3 74 B9R1.3 Oc1c(F)cccc1I PI-10652 [1,0,0,0,0,0|3,0,0]=4 75 B9R1.3 Oc1c(N)cccc1F PI-34504 [1,0,0,0,0,0|3,0,0]=4 76 B9R1.3 Oc1cccc(c1N)O PI-32329 [1,0,0,0,0,0|3,0,0]=4 77 B9R1.69 BrC1=CC(=C(C=C1)C)Cl PI-20673 [1,0,0,0,0,0|3,0,0]=4 78 B9R1.69 BrC1=CN=C(C(=C1)C)C PI-41495 [1,0,0,0,0,0|3,0,0]=4 79 B9R1.69 Brc1ccc(N)c(C)c1 PI-11003 [1,0,0,0,0,0|3,0,0]=4 80 B9R1.69 Brc1ccc(c(c1)C)I PI-21533 [1,0,0,0,0,0|3,0,0]=4 81 B9R1.69 Brc1ccc(c(c1)O)F PI-33069 [1,0,0,0,0,0|3,0,0]=4 82 B9R1.69 C1=C(C(=CC=C1Br)O)C PI-22157 [1,0,0,0,0,0|3,0,0]=4 83 B9R1.69 C1=C(C(=CC=C1F)O)C PI-16986 [1,0,0,0,0,0|3,0,0]=4 84 B9R1.69 C1=C(C(=O)NC=C1Br)O PI-46997 [1,0,0,0,0,0|3,0,0]=4 85 B9R1.69 C1=CC(=C(C=C1Br)O)Cl PI-32432 [1,0,0,0,0,0|3,0,0]=4 86 B9R1.69 C1=CC(=C(C=C1Cl)O)Br PI-34266 [1,0,0,0,0,0|3,0,0]=4 87 B9R1.69 C1=CC(=C(C=C1Cl)O)N PI-11790 [1,0,0,0,0,0|3,0,0]=4 88 B9R1.69 C1=CC(=C(C=C1F)O)N PI-28627 [1,0,0,0,0,0|3,0,0]=4 89 B9R1.69 C1=CC(=O)C(=CC1=O)Cl PI-17305 [1,0,0,0,0,0|3,0,0]=4 90 B9R1.69 CC1=C(C=C(C=C1)Br)N PI-31358 [1,0,0,0,0,0|3,0,0]=4 91 B9R1.69 CC1=C(C=C(C=C1)Cl)Br PI-20668 [1,0,0,0,0,0|3,0,0]=4 92 B9R1.69 CC1=C(C=C(C=C1)Cl)F PI-16988 [1,0,0,0,0,0|3,0,0]=4 93 B9R1.69 CC1=C(C=C(C=C1)Cl)I PI-19456 [1,0,0,0,0,0|3,0,0]=4 94 B9R1.69 CC1=C(C=C(C=C1)Cl)O PI-28617 [1,0,0,0,0,0|3,0,0]=4 95 B9R1.69 CC1=C(C=C(C=C1)F)C PI-11592 [1,0,0,0,0,0|2,0,0]=3 96 B9R1.69 CC1=C(C=C(C=C1)F)Cl PI-28544 [1,0,0,0,0,0|3,0,0]=4 97 B9R1.69 CC1=C(C=C(C=C1)F)F PI-28545 [1,0,0,0,0,0|3,0,0]=4 98 B9R1.69 CC1=C(C=C(C=C1)F)I PI-10676 [1,0,0,0,0,0|3,0,0]=4 99 B9R1.69 CC1=C(C=C(C=C1)F)N PI-16382 [1,0,0,0,0,0|3,0,0]=4 100 B9R1.69 CC1=C(C=C(C=C1)I)F PI-10672 [1,0,0,0,0,0|3,0,0]=4 101 B9R1.69 CC1=C(C=C(C=C1)I)N PI-19927 [1,0,0,0,0,0|3,0,0]=4 102 B9R1.69 CC1=C(C=C(C=C1)N)Br PI-10966 [1,0,0,0,0,0|3,0,0]=4 103 B9R1.69 CC1=C(C=C(C=C1)N)Cl PI-34322 [1,0,0,0,0,0|3,0,0]=4 104 B9R1.69 CC1=C(C=C(C=C1)N)F PI-16383 [1,0,0,0,0,0|3,0,0]=4 105 B9R1.69 CC1=C(C=C(C=C1)N)I PI-19496 [1,0,0,0,0,0|3,0,0]=4 106 B9R1.69 CC1=C(C=C(C=C1)N)O PI-11314 [1,0,0,0,0,0|3,0,0]=4 107 B9R1.69 CC1=C(C=C(C=C1)O)N PI-11312 [1,0,0,0,0,0|2,0,1]=4 108 B9R1.69 CC1=C(C=C(C=C1)S)C PI-11009 [1,0,0,0,0,0|1,1,0]=3 109 B9R1.69 CC1=C(C=CC(=C1)Br)Cl PI-20675 [1,0,0,0,0,0|3,0,0]=4 110 B9R1.69 CC1=C(C=CC(=C1)Br)F PI-31216 [1,0,0,0,0,0|3,0,0]=4 111 B9R1.69 CC1=C(C=CC(=C1)Cl)F PI-28542 [1,0,0,0,0,0|3,0,0]=4 112 B9R1.69 CC1=C(C=CC(=C1)Cl)N PI-34323 [1,0,0,0,0,0|3,0,0]=4 113 B9R1.69 CC1=C(C=CC(=C1)Cl)O PI-11333 [1,0,0,0,0,0|3,0,0]=4 114 B9R1.69 CC1=C(C=CC(=C1)F)Br PI-16983 [1,0,0,0,0,0|3,0,0]=4 115 B9R1.69 CC1=C(C=CC(=C1)F)Cl PI-16931 [1,0,0,0,0,0|3,0,0]=4 116 B9R1.69 CC1=C(C=CC(=C1)F)F PI-28543 [1,0,0,0,0,0|3,0,0]=4 117 B9R1.69 CC1=C(C=CC(=C1)F)I PI-10678 [1,0,0,0,0,0|3,0,0]=4 118 B9R1.69 CC1=C(C=CC(=C1)F)N PI-16985 [1,0,0,0,0,0|3,0,0]=4 119 B9R1.69 CC1=C(C=CC(=C1)I)Cl PI-19072 [1,0,0,0,0,0|3,0,0]=4 120 B9R1.69 CC1=C(C=CC(=C1)I)F PI-10673 [1,0,0,0,0,0|3,0,0]=4 121 B9R1.69 CC1=C(C=CC(=C1)I)N PI-30113 [1,0,0,0,0,0|3,0,0]=4 122 B9R1.69 CC1=C(C=CC(=C1)N)Cl PI-24577 [1,0,0,0,0,0|3,0,0]=4 123 B9R1.69 CC1=C(C=CC(=C1)N)F PI-16984 [1,0,0,0,0,0|3,0,0]=4 124 B9R1.69 CC1=C(C=CC(=C1)N)O PI-10082 [1,0,0,0,0,0|3,0,0]=4 125 B9R1.69 CC1=C(C=CC(=C1)O)F PI-10655 [1,0,0,0,0,0|2,0,1]=4 126 B9R1.69 CC1=C(C=CC(=C1)O)N PI-11473 [1,0,0,0,0,0|2,0,1]=4 127 B9R1.69 CC1=C(C=CC(=C1)S)F PI-23789 [1,0,0,0,0,0|2,1,0]=4 128 B9R1.69 CC1=CC(=C(C=C1)Br)Cl PI-20674 [1,0,0,0,0,0|3,0,0]=4 129 B9R1.69 CC1=CC(=C(C=C1)C)O PI-33176 [1,0,0,0,0,0|2,0,0]=3 130 B9R1.69 CC1=CC(=C(C=C1)C)S PI-21355 [1,0,0,0,0,0|2,1,0]=4 131 B9R1.69 CC1=CC(=C(C=C1)Cl)Br PI-20672 [1,0,0,0,0,0|3,0,0]=4 132 B9R1.69 CC1=CC(=C(C=C1)Cl)C PI-24680 [1,0,0,0,0,0|3,0,0]=4 133 B9R1.69 CC1=CC(=C(C=C1)Cl)F PI-10669 [1,0,0,0,0,0|3,0,0]=4 134 B9R1.69 CC1=CC(=C(C=C1)Cl)N PI-17325 [1,0,0,0,0,0|3,0,0]=4 135 B9R1.69 CC1=CC(=C(C=C1)Cl)O PI-42096 [1,0,0,0,0,0|2,0,0]=3 136 B9R1.69 CC1=CC(=C(C=C1)F)Cl PI-10668 [1,0,0,0,0,0|3,0,0]=4 137 B9R1.69 CC1=CC(=C(C=C1)F)F PI-16918 [1,0,0,0,0,0|3,0,0]=4 138 B9R1.69 CC1=CC(=C(C=C1)F)I PI-10677 [1,0,0,0,0,0|3,0,0]=4 139 B9R1.69 CC1=CC(=C(C=C1)F)N PI-16989 [1,0,0,0,0,0|3,0,0]=4 140 B9R1.69 CC1=CC(=C(C=C1)F)O PI-10653 [1,0,0,0,0,0|2,0,0]=3 141 B9R1.69 CC1=CC(=C(C=C1)I)Br PI-21532 [1,0,0,0,0,0|3,0,0]=4 142 B9R1.69 CC1=CC(=C(C=C1)I)Cl PI-19073 [1,0,0,0,0,0|3,0,0]=4 143 B9R1.69 CC1=CC(=C(C=C1)I)F PI-10675 [1,0,0,0,0,0|3,0,0]=4 144 B9R1.69 CC1=CC(=C(C=C1)I)I PI-19174 [1,0,0,0,0,0|3,0,0]=4 145 B9R1.69 CC1=CC(=C(C=C1)N)C PI-27338 [1,0,0,0,0,0|3,0,0]=4 146 B9R1.69 CC1=CC(=C(C=C1)N)Cl PI-20150 [1,0,0,0,0,0|3,0,0]=4 147 B9R1.69 CC1=CC(=C(C=C1)N)O PI-28344 [1,0,0,0,0,0|2,0,0]=3 148 B9R1.69 CC1=CC(=C(C=C1)N)S PI-41435 [1,0,0,0,0,0|2,1,0]=4 149 B9R1.69 CC1=CC(=C(C=C1)O)Cl PI-19823 [1,0,0,0,0,0|2,0,1]=4 150 B9R1.69 CC1=CC(=C(C=C1)O)N PI-44624 [1,0,0,0,0,0|2,0,1]=4 151 B9R1.69 CC1=CC(=C(C=C1)S)C PI-21999 [1,0,0,0,0,0|2,1,0]=4 152 B9R1.69 CC1=CC(=C(C=C1)[S-])[S-] PI-30102 [1,0,0,0,0,0|1,2,0]=4 153 B9R1.69 CC1=CC(=C(C=C1)[S-])[S-] PI-30441 [1,0,0,0,0,0|1,2,0]=4 154 B9R1.69 CC1=CC(=C(N=C1)C)C PI-16692 [1,0,0,0,0,0|3,0,0]=4 155 B9R1.69 CN1C=CC(=CC1=O)Br PI-40242 [1,0,0,0,0,0|2,0,0]=3 156 B9R1.69 CN1C=CC(=O)NC1=O PI-12567 [1,0,0,0,0,0|2,0,0]=3 157 B9R1.69 Cc1ccc(Br)cc1F PI-31215 [1,0,0,0,0,0|3,0,0]=4 158 B9R1.69 Cc1ccc(I)c(N)c1 PI-13704 [1,0,0,0,0,0|3,0,0]=4 159 B9R1.69 Cc1ccc(N)c(Br)c1 PI-21582 [1,0,0,0,0,0|3,0,0]=4 160 B9R1.69 Cc1ccc(c(c1)Br)F PI-28541 [1,0,0,0,0,0|3,0,0]=4 161 B9R1.69 Cc1ccc(c(c1)C)Br PI-38906 [1,0,0,0,0,0|3,0,0]=4 162 B9R1.69 Cc1ccc(c(c1)F)Br PI-16987 [1,0,0,0,0,0|3,0,0]=4 163 B9R1.69 Cc1ccc(c(c1)F)N PI-16381 [1,0,0,0,0,0|3,0,0]=4 164 B9R1.69 Cc1ccc(c(c1)N)Br PI-32614 [1,0,0,0,0,0|3,0,0]=4 165 B9R1.69 Cc1ccc(c(c1)N)N PI-33398 [1,0,0,0,0,0|3,0,0]=4 166 B9R1.69 Cc1ccc(c(c1)O)O PI-11188 [1,0,0,0,0,0|1,0,1]=3 167 B9R1.69 ClC1=CC(=C(C=C1)F)O PI-10650 [1,0,0,0,0,0|3,0,0]=4 168 B9R1.69 Clc1ccc(c(c1)C)Br PI-20669 [1,0,0,0,0,0|3,0,0]=4 169 B9R1.69 Clc1ccc(c(c1)C)C PI-11593 [1,0,0,0,0,0|2,0,0]=3 170 B9R1.69 Clc1ccc(c(c1)C)I PI-30351 [1,0,0,0,0,0|3,0,0]=4 171 B9R1.69 Clc1ccc(c(c1)O)O PI-11978 [1,0,0,0,0,0|2,0,1]=4 172 B9R1.69 Fc1ccc(C)c(S)c1 PI-23790 [1,0,0,0,0,0|3,0,0]=4 173 B9R1.69 Fc1ccc(S)c(C)c1 PI-23788 [1,0,0,0,0,0|3,0,0]=4 174 B9R1.69 Fc1ccc(c(c1)Br)C PI-16886 [1,0,0,0,0,0|3,0,0]=4 175 B9R1.69 Fc1ccc(c(c1)O)Br PI-31067 [1,0,0,0,0,0|3,0,0]=4 176 B9R1.69 Fc1ccc(c(c1)O)C PI-10656 [1,0,0,0,0,0|3,0,0]=4 177 B9R1.69 Fc1ccc(c(c1)O)Cl PI-10649 [1,0,0,0,0,0|3,0,0]=4 178 B9R1.69 Fc1ccc(c(c1)O)F PI-16913 [1,0,0,0,0,0|3,0,0]=4 179 B9R1.69 Fc1ccc(c(c1)O)O PI-16942 [1,0,0,0,0,0|2,0,1]=4 180 B9R1.69 IC1=CC(O)=C(Cl)C=C1 PI-46497 [1,0,0,0,0,0|3,0,0]=4 181 B9R1.69 Ic1ccc(Br)c(C)c1 PI-21531 [1,0,0,0,0,0|3,0,0]=4 182 B9R1.69 Nc1ccc(Br)c(C)c1 PI-21584 [1,0,0,0,0,0|3,0,0]=4 183 B9R1.69 Nc1ccc(C)c(O)c1 PI-11313 [1,0,0,0,0,0|3,0,0]=4 184 B9R1.69 Nc1ccc(c(c1)C)N PI-19993 [1,0,0,0,0,0|3,0,0]=4 185 B9R1.69 OC1=CC(Cl)=CC=C1I PI-40949 [1,0,0,0,0,0|3,0,0]=4 186 B9R1.69 OC1=CC=C(Br)C=C1O PI-37116 [1,0,0,0,0,0|2,0,1]=4 187 B9R1.69 OC1=CC=C(C)C=C1Br PI-14476 [1,0,0,0,0,0|2,0,1]=4 188 B9R1.69 Oc1cc(Cl)ccc1Cl PI-34659 [1,0,0,0,0,0|3,0,0]=4 189 B9R1.69 Oc1ccc(Br)c(O)c1 PI-28737 [1,0,0,0,0,0|3,0,0]=4 190 B9R1.69 Oc1ccc(C)c(C)c1 PI-34164 [1,0,0,0,0,0|1,0,1]=3 191 B9R1.69 Oc1ccc(C)c(F)c1 PI-10654 [1,0,0,0,0,0|2,0,1]=4 192 B9R1.69 Oc1ccc(c(c1)C)Br PI-14477 [1,0,0,0,0,0|2,0,1]=4 193 B9R1.69 Oc1ccc(c(c1)O)C PI-19649 [1,0,0,0,0,0|2,0,1]=4 194 B9R1.69 Oc1ccc(c(c1)O)F PI-10442 [1,0,0,0,0,0|3,0,0]=4 195 B9R1.69 Oc1ccc(c(c1)O)O PI-31220 [1,0,0,0,0,0|2,0,1]=4 196 B9R1.69 Sc1ccc(C)c(F)c1 PI-23787 [1,0,0,0,0,0|2,1,0]=4 197 B9R1.69 Sc1ccc(c(c1)C)O PI-18459 [1,0,0,0,0,0|2,1,0]=4 198 B11R1.32 CC1=C(C(=C(C=C1Br)Br)O)Br PI-32572 [0,1,0,0,0,0|3,0,0]=4 199 B11R1.32 CC1=C(C=C(C(=C1C)N)N)Br PI-19045 [0,1,0,0,0,0|3,0,0]=4 200 B11R1.32 CC1=CC(=C(C(=C1C)Br)C)C PI-17141 [0,1,0,0,0,0|3,0,0]=4 201 B11R1.32 CC1=CC(=C(C(=C1C)C)C)C PI-44582 [0,1,0,0,0,0|3,0,0]=4 202 B11R1.32 CC1=CC(=C(C(=C1C)C)C)I PI-19707 [0,1,0,0,0,0|3,0,0]=4 203 B11R1.32 CC1=CC(=C(C(=C1C)I)C)C PI-30300 [0,1,0,0,0,0|3,0,0]=4 204 B11R1.32 CN1C(=C(C(=O)NC1=O)Br)N PI-21306 [0,1,0,0,0,0|3,0,0]=4 205 B11R1.32 CN1C(=C(C(=O)NC1=O)N)N PI-21334 [0,1,0,0,0,0|3,0,0]=4 206 B11R1.32 CN1C=C(C(=O)N(C1=O)C)O PI-16344 [0,1,0,0,0,0|3,0,0]=4 207 B11R1.32 Clc1cc(=O)n(c(=O)n1C)C PI-12614 [0,1,0,0,0,0|3,0,0]=4 208 B11R1.32 Nc1cc(=O)n(c(=O)n1C)C PI-33386 [0,1,0,0,0,0|3,0,0]=4 209 B11R1.32 Nc1cc(Cl)c(c(c1O)Cl)C PI-11743 [0,1,0,0,0,0|3,0,0]=4 210 B11R1.32 Nc1cc(Cl)c(c(c1O)Cl)C PI-38713 [0,1,0,0,0,0|3,0,0]=4 211 B11R1.72 CC1=C(C(=C(C=C1)Cl)CO)F PI-20101 [0,1,0,0,0,0|3,0,0]=4 212 B11R1.72 CC1=C(C(=C(C=C1)F)CO)Cl PI-20100 [0,1,0,0,0,0|3,0,0]=4 213 B11R1.72 CC1=[N+](C=CC(=C1OC)Cl)[O-] PI-11973 [0,1,0,0,0,0|2,0,1]=4 214 B11R1.278 CC1=C(C(=C(C=C1)C=O)C)F PI-26591 [0,1,0,0,0,0|3,0,0]=4 215 B11R1.278 CC1=C(C=CC(=C1O)C=O)O PI-33979 [0,1,0,0,0,0|2,0,0]=3 216 B11R1.278 O=Cc1ccc(C)c(F)c1F PI-27391 [0,1,0,0,0,0|3,0,0]=4 217 B11R1.278 O=Cc1ccc(O)c(O)c1O PI-16094 [0,1,0,0,0,0|3,0,0]=4 218 B11R1.278 OC1=C(C)C(CO)=CN=C1C PI-27197 [0,1,0,0,0,0|3,0,0]=4 219 B9R1.37 CC1C(=C(C(=O)O1)O)C PI-47190 [0,0,0,0,1,0|2,0,0]=3 220 B8R0.19 CC(=CC(=O)OC)NC PI-30121 [1,0,1,0,0,0|1,0,1]=4 221 B8R1.4 Brc1cc[nH]c(=O)c1 PI-38916 [2,0,0,0,0,0|2,0,0]=4 222 B8R1.4 Brc1ccnc(c1)C PI-32240 [2,0,0,0,0,0|1,0,1]=4 223 B8R1.4 C1=CC(=CC(=C1)F)O PI-16947 [2,0,0,0,0,0|2,0,0]=4 224 B8R1.4 C1=CC(=C[N+](=C1)[O-])O PI-13309 [2,0,0,0,0,0|1,0,1]=4 225 B8R1.4 C1=CNC(=CC1=O)Br PI-35008 [2,0,0,0,0,0|1,0,0]=3 226 B8R1.4 C1=CNC(=CC1=O)Cl PI-11015 [2,0,0,0,0,0|1,0,0]=3 227 B8R1.4 C1=CNC(=O)C=C1N PI-34824 [2,0,0,0,0,0|2,0,0]=4 228 B8R1.4 C1=CNC(=O)C=C1O PI-10171 [2,0,0,0,0,0|1,0,1]=4 229 B8R1.4 C1=CNC(=S)NC1=O PI-48541 [2,0,0,0,0,0|2,0,0]=4 230 B8R1.4 CC1=CC(=CC=C1)I PI-10981 [2,0,0,0,0,0|2,0,0]=4 231 B8R1.4 CC1=CC(=O)NC=N1 PI-32627 [2,0,0,0,0,0|1,0,1]=4 232 B8R1.4 CC1=CC=CC(=O)N1 PI-16688 [2,0,0,0,0,0|2,0,0]=4 233 B8R1.4 CC1=NC=CC(=C1)N PI-13314 [2,0,0,0,0,0|1,0,1]=4 234 B8R1.4 O=C1NC(C=CN1)=O PI-37339 [2,0,0,0,0,0|2,0,0]=4 235 B8R1.4 OC1=NC=CC(C)=C1 PI-28120 [2,0,0,0,0,0|2,0,0]=4 236 B8R1.4 Oc1cccc(c1)I PI-10955 [2,0,0,0,0,0|2,0,0]=4 237 B8R1.4 Oc1cccc(c1)S PI-21360 [2,0,0,0,0,0|2,0,0]=4 238 B8R1.5 C1=CC(=C(N=C1)Cl)O PI-16697 [2,0,0,0,0,0|1,0,1]=4 239 B8R1.5 C1=CC(=C(N=C1)F)O PI-40205 [2,0,0,0,0,0|1,0,1]=4 240 B8R1.5 C1=CC(=O)N(C=C1)O PI-43160 [2,0,0,0,0,0|2,0,0]=4 241 B8R1.5 C1=CC(=S)N(C=C1)O PI-13313 [2,0,0,0,0,0|2,0,0]=4 242 B8R1.5 C1=CC(=S)N(C=C1)O PI-15830 [2,0,0,0,0,0|2,0,0]=4 243 B8R1.5 C1=CC=C(C(=C1)O)F PI-11848 [2,0,0,0,0,0|2,0,0]=4 244 B8R1.5 C1=CNC(=O)C(=C1)Cl PI-35282 [2,0,0,0,0,0|2,0,0]=4 245 B8R1.5 C1=CNC(=O)C(=C1)F PI-34509 [2,0,0,0,0,0|2,0,0]=4 246 B8R1.5 C1=CNC(=O)C(=C1)N PI-10375 [2,0,0,0,0,0|2,0,0]=4 247 B8R1.5 C1=CNC(=S)C(=C1)N PI-36113 [2,0,0,0,0,0|2,0,0]=4 248 B8R1.5 C1=CNC=C(C1=O)N PI-28705 [2,0,0,0,0,0|1,0,0]=3 249 B8R1.5 CC1=C(C=CC=N1)Br PI-23460 [2,0,0,0,0,0|1,0,1]=4 250 B8R1.5 CC1=C(C=NC=C1)O PI-34258 [2,0,0,0,0,0|1,0,1]=4 251 B8R1.5 CC1=CC=CC=C1I PI-10980 [2,0,0,0,0,0|2,0,0]=4 252 B8R1.5 CC1=CC=CC=[N+]1N PI-45950 [2,0,0,0,0,0|1,0,1]=4 253 B8R1.5 Cc1ccccc1F PI-34118 [2,0,0,0,0,0|2,0,0]=4 254 B8R1.5 Cc1cnccc1O PI-38275 [2,0,0,0,0,0|2,0,0]=4 255 B8R1.5 Clc1cccc[n+]1C PI-17309 [2,0,0,0,0,0|1,0,1]=4 256 B8R1.5 Nc1cccnc1C PI-13066 [2,0,0,0,0,0|1,0,1]=4 257 B8R1.5 O=c1[nH]cccc1C PI-16687 [2,0,0,0,0,0|2,0,0]=4 258 B8R1.5 O=c1ccccn1C PI-10985 [2,0,0,0,0,0|1,0,0]=3 259 B8R1.5 OC1=C(I)C=CC=C1 PI-10953 [2,0,0,0,0,0|2,0,0]=4 260 B8R1.5 Oc1ccccc1Br PI-10952 [2,0,0,0,0,0|2,0,0]=4 261 B8R1.5 Oc1ccccc1O PI-31351 [2,0,0,0,0,0|1,0,1]=4 262 B8R1.5 Oc1ccccc1S PI-20878 [2,0,0,0,0,0|1,1,0]=4 263 B8R1.5 Oc1cccnc1Br PI-16727 [2,0,0,0,0,0|1,0,1]=4 264 B8R1.5 Oc1cccnc1C PI-13315 [2,0,0,0,0,0|0,0,1]=3 265 B8R1.5 Oc1cccnc1N PI-16260 [2,0,0,0,0,0|1,0,1]=4 266 B8R1.5 Oc1ncccc1O PI-11386 [2,0,0,0,0,0|1,0,1]=4 267 B8R1.3 CC1=CNC(=O)C=C1 PI-15774 [2,0,0,0,0,0|2,0,0]=4 268 B8R1.3 Cc1ccc(F)cc1 PI-34120 [2,0,0,0,0,0|2,0,0]=4 269 B8R1.3 Cc1ccc(I)cc1 PI-13709 [2,0,0,0,0,0|2,0,0]=4 270 B10R1.2 C1=CC(=C(C(=C1)Br)O)C=O PI-27283 [1,1,0,0,0,0|2,0,0]=4 271 B10R1.2 C1=CC(=C(C(=C1)F)O)C=O PI-18520 [1,1,0,0,0,0|2,0,0]=4 272 B10R1.2 CC1=C(C(=CC=C1)C#N)C PI-21940 [1,1,0,0,0,0|2,0,0]=4 273 B10R1.2 CC1=C(C(=CC=C1)C=O)C PI-10267 [1,1,0,0,0,0|1,0,1]=4 274 B10R1.2 CC1=C(C(=CC=C1)CBr)C PI-19918 [1,1,0,0,0,0|2,0,0]=4 275 B10R1.2 CC1=C(C(=CC=C1)NN)C PI-29705 [1,1,0,0,0,0|2,0,0]=4 276 B10R1.2 CC1=C(C(=CC=C1)OC)C PI-33340 [1,1,0,0,0,0|1,0,0]=3 277 B10R1.2 CC1=C(C=CC=C1Cl)OC PI-19448 [1,1,0,0,0,0|2,0,0]=4 278 B10R1.2 CC1=C(C=CC=C1N)CO PI-44883 [1,1,0,0,0,0|2,0,0]=4 279 B10R1.2 CC1=C(C=CC=C1N)CO PI-44908 [1,1,0,0,0,0|2,0,0]=4 280 B10R1.2 CC1=C(C=CC=C1OC)N PI-19271 [1,1,0,0,0,0|2,0,0]=4 281 B10R1.2 COc1cccc(O)c1Br PI-34766 [1,1,0,0,0,0|2,0,0]=4 282 B10R1.2 COc1cccc(c1N)O PI-38206 [1,1,0,0,0,0|2,0,0]=4 283 B10R1.2 COc1cccc(c1O)O PI-19986 [1,1,0,0,0,0|1,0,1]=4 284 B10R1.2 CSC1=C(C)C(Cl)=CC=C1 PI-39859 [1,1,0,0,0,0|2,0,0]=4 285 B10R1.2 O=Cc1cccc(C)c1F PI-28944 [1,1,0,0,0,0|2,0,0]=4 286 B10R1.2 O=Cc1cccc(C)c1O PI-27937 [1,1,0,0,0,0|1,0,0]=3 287 B10R1.2 O=Cc1cccc(Cl)c1O PI-26254 [1,1,0,0,0,0|2,0,0]=4 288 B10R1.2 O=Cc1cccc(O)c1O PI-21380 [1,1,0,0,0,0|2,0,0]=4 289 B10R1.22 CC1=C(C(=O)NC(=O)N1)Cl PI-10281 [1,1,0,0,0,0|2,0,0]=4 290 B10R1.22 CC1=CC(=C(C(=C1)N)O)C PI-27576 [1,1,0,0,0,0|2,0,0]=4 291 B10R1.22 CC1=CC(=C(C(=C1)O)C)C PI-11725 [1,1,0,0,0,0|1,0,0]=3 292 B10R1.22 CC1=CC(=CC(=C1C)C)N PI-36166 [1,1,0,0,0,0|2,0,0]=4 293 B10R1.22 CC1=CC(=CC(=C1O)Br)F PI-42951 [1,1,0,0,0,0|2,0,0]=4 294 B10R1.22 CC1=CC(=CC(=C1O)C)Cl PI-30067 [1,1,0,0,0,0|2,0,0]=4 295 B10R1.22 CC1=CC(=CC(=C1O)C)I PI-21958 [1,1,0,0,0,0|2,0,0]=4 296 B10R1.22 CC1=CC(=CC(=C1O)C)O PI-44190 [1,1,0,0,0,0|2,0,0]=4 297 B10R1.22 CC1=CC(=O)NC(=C1C)O PI-12151 [1,1,0,0,0,0|2,0,0]=4 298 B10R1.22 Cc1cc(C)c(c(c1)Br)O PI-38211 [1,1,0,0,0,0|2,0,0]=4 299 B10R1.22 Cc1cc(O)c(C)c(O)c1 PI-19644 [1,1,0,0,0,0|2,0,0]=4 300 B10R1.22 O=C1C(Br)=CC(Br)=CN1C PI-46656 [1,1,0,0,0,0|2,0,0]=4 301 B10R1.245 CC1=C(C(=CC=C1)C)CO PI-19775 [1,1,0,0,0,0|2,0,0]=4 302 B10R1.245 CC1=C(C(=O)C=CN1)OC PI-40244 [1,1,0,0,0,0|0,0,0]=2 303 B10R1.245 COC1=C(C=CC=C1O)O PI-19401 [1,1,0,0,0,0|2,0,0]=4 304 B10R1.245 COc1c(O)ccnc1C PI-38274 [1,1,0,0,0,0|0,0,2]=4 305 B10R1.245 ClCc1c(C)cccc1C PI-23826 [1,1,0,0,0,0|2,0,0]=4 306 B10R1.245 NCc1c(C)cccc1C PI-39516 [1,1,0,0,0,0|2,0,0]=4 307 B10R1.25 C1=CC(=C(C=C1F)O)C=O PI-18485 [1,1,0,0,0,0|2,0,0]=4 308 B10R1.25 CC1=C(C=CC(=C1)Br)OC PI-21586 [1,1,0,0,0,0|2,0,0]=4 309 B10R1.25 CC1=C(C=CC(=C1)Cl)OC PI-19447 [1,1,0,0,0,0|2,0,0]=4 310 B10R1.25 CC1=CC(=C(C=C1)C=O)Br PI-26931 [1,1,0,0,0,0|2,0,0]=4 311 B10R1.25 CC1=CC(=C(C=C1)C=O)F PI-31460 [1,1,0,0,0,0|2,0,0]=4 312 B10R1.25 CC1=CC(=C(C=C1)CCl)C PI-23825 [1,1,0,0,0,0|2,0,0]=4 313 B10R1.25 CC1=CC(I)=CC=C1OC PI-19887 [1,1,0,0,0,0|2,0,0]=4 314 B10R1.25 CSc1ccc(cc1C)O PI-18452 [1,1,0,0,0,0|1,0,1]=4 315 B10R1.25 ClC1=CC(=C(C=O)C=C1)O PI-26343 [1,1,0,0,0,0|2,0,0]=4 316 B10R1.25 NCc1ccc(cc1C)C PI-27988 [1,1,0,0,0,0|2,0,0]=4 317 B10R1.25 O=Cc1ccc(C)cc1O PI-20805 [1,1,0,0,0,0|1,0,0]=3 318 B10R1.25 O=Cc1ccc(O)cc1O PI-11749 [1,1,0,0,0,0|2,0,0]=4 319 B10R1.25 O=Cc1ccc(cc1C)C PI-27218 [1,1,0,0,0,0|2,0,0]=4 320 B10R1.25 O=Cc1ccc(cc1O)Br PI-26320 [1,1,0,0,0,0|2,0,0]=4 321 B10R1.25 OCc1ccc(cc1C)C PI-38556 [1,1,0,0,0,0|2,0,0]=4 322 B10R1.30 CC1=C(C=C(C=C1)Cl)OC PI-10564 [1,1,0,0,0,0|2,0,0]=4 323 B10R1.30 CC1=C(C=C(C=C1)F)CBr PI-23755 [1,1,0,0,0,0|2,0,0]=4 324 B10R1.118 CC1=CC(=C(C=C1C)N)N PI-30467 [1,1,0,0,0,0|2,0,0]=4 325 B10R1.118 CC1=CC(=C(C=C1C)S)C PI-17211 [1,1,0,0,0,0|1,1,0]=4 326 B10R1.118 CC1=CC(=C(C=C1I)C)O PI-21957 [1,1,0,0,0,0|2,0,0]=4 327 B10R1.118 CC1=CC(=C(C=C1O)C)N PI-27462 [1,1,0,0,0,0|2,0,0]=4 328 B10R1.118 CC1=CC(=O)C(=CC1=O)Cl PI-19280 [1,1,0,0,0,0|2,0,0]=4 329 B10R1.118 Cc1cc(Br)c(cc1C)Br PI-19362 [1,1,0,0,0,0|2,0,0]=4 330 B10R1.176 C1=CC(=C(C=C1CO)O)I PI-45003 [1,1,0,0,0,0|2,0,0]=4 331 B10R1.176 C1=CC(=C(C=C1CO)O)O PI-19526 [1,1,0,0,0,0|1,0,1]=4 332 B10R1.176 CC1=C(C=C(C=C1)C=O)C PI-11614 [1,1,0,0,0,0|1,0,0]=3 333 B10R1.176 CC1=C(C=C(C=C1)C=O)F PI-28215 [1,1,0,0,0,0|2,0,0]=4 334 B10R1.176 CC1=C(C=C(C=C1)CCl)C PI-23827 [1,1,0,0,0,0|2,0,0]=4 335 B10R1.176 CC1=C(C=C(C=C1)CN)C PI-33680 [1,1,0,0,0,0|2,0,0]=4 336 B10R1.176 CC1=C(C=C(C=C1)NN)C PI-50516 [1,1,0,0,0,0|2,0,0]=4 337 B10R1.176 CC1=C(C=CC(=C1)C=O)F PI-28124 [1,1,0,0,0,0|2,0,0]=4 338 B10R1.176 CC1=C(C=CC(=C1)C=O)O PI-18215 [1,1,0,0,0,0|2,0,0]=4 339 B10R1.176 CCc1ccc(c(c1)O)O PI-19057 [1,1,0,0,0,0|1,0,1]=4 340 B10R1.176 COC1=CC(=C(C=C1)N)O PI-34837 [1,1,0,0,0,0|2,0,0]=4 341 B10R1.176 N#Cc1ccc(c(c1)C)C PI-29364 [1,1,0,0,0,0|2,0,0]=4 342 B10R1.176 NCc1ccc(c(c1)O)O PI-30190 [1,1,0,0,0,0|1,0,1]=4 343 B10R1.176 NNc1ccc(c(c1)C)C PI-29749 [1,1,0,0,0,0|2,0,0]=4 344 B10R1.176 O=Cc1ccc(c(c1)O)C PI-27720 [1,1,0,0,0,0|2,0,0]=4 345 B10R1.34 O=C1OC(CC)C(C)=C1O PI-18836 [0,1,0,0,1,0|2,0,0]=4 346 B12R1.741 COC1=C(OC)C(=O)C=CC1=O PI-23193 [0,2,0,0,0,0|2,0,0]=4 347 B12R1.653 COc1ccc(C=O)c(C)c1C PI-27548 [0,2,0,0,0,0|2,0,0]=4 348 B12R1.893 CC1=C(C=CC(=C1O)C(=O)C)O PI-29030 [0,2,0,0,0,0|2,0,0]=4 349 B12R1.893 OC(=O)c1ccc(c(c1N)C)C PI-32620 [0,2,0,0,0,0|2,0,0]=4 350 B10R2.31 BrC1=CC2=C(CC2)C=C1 PI-37003 [1,0,0,1,0,0|2,0,0]=4 351 B10R2.31 NC1=CC=C2CCC2=C1 PI-40931 [1,0,0,1,0,0|2,0,0]=4 352 B10R2.31 OC1=CC=C2CCC2=C1 PI-42598 [1,0,0,1,0,0|1,0,1]=4 353 B8R1.50 CC1=C(C(=O)CC1)O PI-11535 [1,0,0,0,1,0|0,0,2]=4 354 B8R1.50 CC1=C(C(=O)CO1)O PI-14302 [1,0,0,0,1,0|1,0,1]=4 355 B8R1.50 O=C1N(O)C(C=C1)=O PI-37265 [1,0,0,0,1,0|2,0,0]=4 356 B8R1.18 Cc1cc(n(n1)C)C PI-37586 [1,0,0,0,1,0|2,0,0]=4