0 B10R1.18 B(CC1=CC=CC=C1)(O)O PI-49945 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.18 BrC(=Cc1ccccc1)Br PI-35682 [0,0,0,0,0,0|2,0,2]=4 2 B10R1.18 C1=CC(=CN=C1)CC(=O)O PI-13521 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.18 C1=CC(=CN=C1)CC(=O)O PI-16758 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.18 C1=CC=C(C=C1)N=C(N)N PI-11304 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.18 C1=CC=C(C=C1)OC(=O)N PI-10948 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.18 C1=CC=NC(=C1)CC(=O)O PI-16725 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.18 C1=CC=[N+](C=C1)CC(=O)N PI-15939 [0,0,0,0,0,0|2,0,1]=3 8 B10R1.18 CC(=CC1=CC=CC=C1)C PI-47118 [0,0,0,0,0,0|1,0,2]=3 9 B10R1.18 CC(=O)CC1=CC=NC=C1 PI-24530 [0,0,0,0,0,0|2,0,1]=3 10 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 PI-17935 [0,0,0,0,0,0|2,0,1]=3 11 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 PI-30609 [0,0,0,0,0,0|2,0,1]=3 12 B10R1.18 CC(C)NC1=CC=CC=C1 PI-11279 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.18 CC(CC1=NC=CC=C1)=O PI-41787 [0,0,0,0,0,0|2,0,1]=3 14 B10R1.18 CC(Cc1ccccn1)C PI-13337 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.18 ClC(=S)Oc1ccccc1 PI-13044 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.18 NC(=Nc1ccccc1)N PI-20950 [0,0,0,0,0,0|2,0,1]=3 17 B10R1.18 OC(=O)Cc1cccnc1 PI-28588 [0,0,0,0,0,0|3,0,1]=4 18 B10R1.18 OC(=O)Cc1ccncc1 PI-16726 [0,0,0,0,0,0|3,0,1]=4 19 B9R1.8 BrC#Cc1ccccc1 PI-38808 [1,0,0,0,0,0|1,0,2]=4 20 B9R1.8 C1=CC(=CN=C1)CCO PI-20772 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.8 C1=CC=C(C=C1)C=CBr PI-12915 [1,0,0,0,0,0|1,0,2]=4 22 B9R1.8 C1=CC=C(C=C1)CCS PI-48520 [1,0,0,0,0,0|1,0,0]=2 23 B9R1.8 C1=CC=C(C=C1)CNN PI-12194 [1,0,0,0,0,0|1,0,0]=2 24 B9R1.8 C1=CC=C(C=C1)CNN PI-12195 [1,0,0,0,0,0|1,0,0]=2 25 B9R1.8 C1=CC=C(C=C1)CON PI-48767 [1,0,0,0,0,0|1,0,0]=2 26 B9R1.8 C1=CC=NC(=C1)CCN PI-33890 [1,0,0,0,0,0|1,0,0]=2 27 B9R1.8 C1=CC=[N+](C=C1)CC#N PI-30212 [1,0,0,0,0,0|1,0,2]=4 28 B9R1.8 C1=CN=C(C=N1)CCS PI-48496 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.8 C=CCC1=CC=CC=C1 PI-36465 [1,0,0,0,0,0|0,0,2]=3 30 B9R1.8 CC#CC1=CC=CC=C1 PI-48954 [1,0,0,0,0,0|0,0,2]=3 31 B9R1.8 CCCC1=CC=CC=N1 PI-13326 [1,0,0,0,0,0|1,0,0]=2 32 B9R1.8 CCCC1=CC=NC=C1 PI-28052 [1,0,0,0,0,0|1,0,0]=2 33 B9R1.8 CCC[N+]1=CC=CC=C1 PI-13348 [1,0,0,0,0,0|1,0,0]=2 34 B9R1.8 CCOC1=CC=CC=N1 PI-16377 [1,0,0,0,0,0|2,0,0]=3 35 B9R1.8 CCOC1=CC=NC=C1 PI-16378 [1,0,0,0,0,0|2,0,0]=3 36 B9R1.8 CCOC1=NC=CN=C1 PI-11039 [1,0,0,0,0,0|3,0,0]=4 37 B9R1.8 CNCC1=CC=CN=C1 PI-46624 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.8 COCC1=CC=CC=C1 PI-19695 [1,0,0,0,0,0|1,0,0]=2 39 B9R1.8 COCc1ccccn1 PI-38670 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.8 C\C=C\C1=CC=CC=C1 PI-42685 [1,0,0,0,0,0|0,0,2]=3 41 B9R1.8 C\C=C\C1=CC=CC=C1 PI-46536 [1,0,0,0,0,0|0,0,2]=3 42 B9R1.8 N#CCc1ccccn1 PI-16690 [1,0,0,0,0,0|1,0,2]=4 43 B9R1.8 N#CCc1cccnc1 PI-32834 [1,0,0,0,0,0|1,0,2]=4 44 B9R1.8 N#CCc1ccncc1 PI-10376 [1,0,0,0,0,0|1,0,2]=4 45 B9R1.8 NCCc1cccnc1 PI-23439 [1,0,0,0,0,0|1,0,0]=2 46 B9R1.8 NCCc1ccncc1 PI-15907 [1,0,0,0,0,0|1,0,0]=2 47 B9R1.8 NOCc1ccccc1 PI-11329 [1,0,0,0,0,0|1,0,0]=2 48 B9R1.8 OCCC1=CC=NC=C1 PI-27680 [1,0,0,0,0,0|2,0,0]=3 49 B9R1.8 ONCC1=CC=CC=C1 PI-42266 [1,0,0,0,0,0|2,0,0]=3 50 B11R1.20 C1=CC(=CC=C1CC(=O)Cl)F PI-28554 [0,1,0,0,0,0|2,0,1]=4 51 B11R1.20 C1=CC(=CC=C1CC(=O)N)O PI-16441 [0,1,0,0,0,0|1,0,1]=3 52 B11R1.20 C1=CC(=CC=C1CC(=O)O)Br PI-12711 [0,1,0,0,0,0|2,0,1]=4 53 B11R1.20 C1=CC(=CC=C1CC(=O)O)Cl PI-32618 [0,1,0,0,0,0|2,0,1]=4 54 B11R1.20 C1=CC(=CC=C1CC(=O)O)N PI-25083 [0,1,0,0,0,0|2,0,1]=4 55 B11R1.20 C1=CC(=CC=C1CC(C)=O)F PI-39618 [0,1,0,0,0,0|1,0,1]=3 56 B11R1.20 C1=CC(=CC=C1N)N=C(N)N PI-47263 [0,1,0,0,0,0|2,0,1]=4 57 B11R1.20 C1=CC(=CC=C1N)OC(F)F PI-21176 [0,1,0,0,0,0|3,0,0]=4 58 B11R1.20 C1=CC(=CC=C1N=C(N)N)I PI-47260 [0,1,0,0,0,0|2,0,1]=4 59 B11R1.20 CC(=O)Cc1ccc(cc1)Br PI-38548 [0,1,0,0,0,0|1,0,1]=3 60 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 PI-26690 [0,1,0,0,0,0|2,0,1]=4 61 B11R1.20 CC(=O)NC1=CC=C(C=C1)Br PI-24030 [0,1,0,0,0,0|2,0,1]=4 62 B11R1.20 CC(=O)NC1=CC=C(C=C1)F PI-34152 [0,1,0,0,0,0|2,0,1]=4 63 B11R1.20 CC(=O)NC1=CC=C(C=C1)S PI-26064 [0,1,0,0,0,0|2,0,1]=4 64 B11R1.20 CC(=O)OC1=CC=C(C=C1)F PI-16968 [0,1,0,0,0,0|2,0,1]=4 65 B11R1.20 CC(=O)OC1=CC=C(C=C1)O PI-49042 [0,1,0,0,0,0|2,0,1]=4 66 B11R1.20 CC(=O)Oc1ccc(cc1)Br PI-35155 [0,1,0,0,0,0|2,0,1]=4 67 B11R1.20 CC(=O)SC1=CC=C(C=C1)I PI-35183 [0,1,0,0,0,0|2,0,1]=4 68 B11R1.20 CC(C)CC1=CC=C(C=C1)Br PI-13179 [0,1,0,0,0,0|1,0,0]=2 69 B11R1.20 CC(C)NC1=CC=C(C=C1)F PI-42945 [0,1,0,0,0,0|2,0,0]=3 70 B11R1.20 CC(C)OC1=CC=C(C=C1)N PI-28808 [0,1,0,0,0,0|2,0,0]=3 71 B11R1.20 CC(OC1=CC=C(N)C=C1)=O PI-37062 [0,1,0,0,0,0|2,0,1]=4 72 B11R1.20 CC1=CC=C(C=C1)CC(=O)O PI-30795 [0,1,0,0,0,0|2,0,1]=4 73 B11R1.20 CC1=CC=C(C=C1)NC(=O)N PI-24527 [0,1,0,0,0,0|2,0,1]=4 74 B11R1.20 CC1=CC=C(C=C1)NC(=S)N PI-24528 [0,1,0,0,0,0|2,0,1]=4 75 B11R1.20 CC1=CC=C(C=C1)OC(F)F PI-21199 [0,1,0,0,0,0|3,0,0]=4 76 B11R1.20 ClC(=O)Cc1ccc(Br)cc1 PI-22240 [0,1,0,0,0,0|2,0,1]=4 77 B11R1.20 ClC(=O)Cc1ccc(C)cc1 PI-24891 [0,1,0,0,0,0|2,0,1]=4 78 B11R1.20 FC(Oc1ccc(cc1)Br)F PI-21193 [0,1,0,0,0,0|3,0,0]=4 79 B11R1.20 FC(Oc1ccc(cc1)I)F PI-21194 [0,1,0,0,0,0|3,0,0]=4 80 B11R1.20 NC(=S)Nc1ccc(cc1)Br PI-22567 [0,1,0,0,0,0|2,0,1]=4 81 B11R1.20 NC(=S)Nc1ccc(cc1)Cl PI-30541 [0,1,0,0,0,0|2,0,1]=4 82 B11R1.20 NC(=S)Nc1ccc(cc1)O PI-20852 [0,1,0,0,0,0|2,0,1]=4 83 B11R1.20 OC(=O)Cc1ccc(F)cc1 PI-16969 [0,1,0,0,0,0|2,0,1]=4 84 B11R1.20 OC(=O)Cc1ccc(I)cc1 PI-30230 [0,1,0,0,0,0|2,0,1]=4 85 B11R1.20 OC(=O)Cc1ccc(O)cc1 PI-11992 [0,1,0,0,0,0|2,0,1]=4 86 B11R1.20 OC(=O)Cc1ccc(S)cc1 PI-30560 [0,1,0,0,0,0|2,0,1]=4 87 B11R1.36 C1=CC=C(C=C1)C(=O)C(Cl)Cl PI-25399 [0,1,0,0,0,0|2,0,1]=4 88 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)Br PI-12709 [0,1,0,0,0,0|2,0,1]=4 89 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)N PI-18442 [0,1,0,0,0,0|2,0,1]=4 90 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O PI-33913 [0,1,0,0,0,0|2,0,1]=4 91 B11R1.36 CC(C(=O)C1=CC=CC=C1)Cl PI-12863 [0,1,0,0,0,0|1,0,1]=3 92 B11R1.36 CC(C(=O)O)c1ccccc1 PI-11879 [0,1,0,0,0,0|2,0,1]=4 93 B11R1.36 CC(C1=CC=CC=C1)C(=O)O PI-10358 [0,1,0,0,0,0|2,0,1]=4 94 B11R1.36 C[C@@H](c1ccccc1)C(=O)O PI-10357 [0,1,0,0,0,0|2,0,1]=4 95 B11R1.36 FC(C(=O)O)c1ccccc1 PI-30175 [0,1,0,0,0,0|2,0,1]=4 96 B11R1.36 N[C@@H](c1ccccc1)C(=O)N PI-37984 [0,1,0,0,0,0|1,0,1]=3 97 B11R1.36 O=C(C(=O)C)c1ccccc1 PI-32566 [0,1,0,0,0,0|1,0,2]=4 98 B11R1.36 O[C@@H](C(=O)O)c1ccccc1 PI-10352 [0,1,0,0,0,0|2,0,1]=4 99 B11R1.36 O[C@@H](c1ccccc1)C(=O)O PI-10351 [0,1,0,0,0,0|2,0,1]=4 100 B11R1.40 C1=CC=C(C=C1)CC(=O)NN PI-30983 [0,1,0,0,0,0|1,0,1]=3 101 B11R1.40 C1=CC=C(C=C1)CC(CN)N PI-19951 [0,1,0,0,0,0|0,0,0]=1 102 B11R1.40 C1=CC=C(C=C1)NC(=S)NN PI-29671 [0,1,0,0,0,0|2,0,1]=4 103 B11R1.40 CCC(=O)CC1=CC=CC=C1 PI-47129 [0,1,0,0,0,0|1,0,1]=3 104 B11R1.40 CNC(=S)Nc1ccccc1 PI-24288 [0,1,0,0,0,0|2,0,1]=4 105 B11R1.40 CNC(=S)Nc1ccccc1 PI-30591 [0,1,0,0,0,0|2,0,1]=4 106 B11R1.40 COC(=O)CC1=CC=CC=N1 PI-48279 [0,1,0,0,0,0|2,0,1]=4 107 B11R1.40 ClCC(=O)Nc1ccccc1 PI-15656 [0,1,0,0,0,0|2,0,1]=4 108 B11R1.40 OC[C@@H](Cc1ccccc1)N PI-16474 [0,1,0,0,0,0|0,0,0]=1 109 B11R1.40 OC[C@H](Cc1ccccc1)N PI-16635 [0,1,0,0,0,0|0,0,0]=1 110 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)Br PI-14498 [0,1,0,0,0,0|2,0,1]=4 111 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)O PI-10304 [0,1,0,0,0,0|2,0,1]=4 112 B11R1.86 CC(=O)Cc1ccccc1F PI-38595 [0,1,0,0,0,0|1,0,1]=3 113 B11R1.86 CC(=O)NC1=CC=CC=C1Br PI-50525 [0,1,0,0,0,0|2,0,1]=4 114 B11R1.86 CC(=O)NC1=CC=CC=C1F PI-34151 [0,1,0,0,0,0|2,0,1]=4 115 B11R1.86 CC(=O)NC1=CC=CC=C1O PI-11773 [0,1,0,0,0,0|2,0,1]=4 116 B11R1.86 CC(=O)Nc1ccccc1N PI-39094 [0,1,0,0,0,0|2,0,1]=4 117 B11R1.86 CC(=O)OC1=CC=CC=C1Cl PI-10924 [0,1,0,0,0,0|2,0,1]=4 118 B11R1.86 CC1=CC=CC=C1N=C(N)N PI-47265 [0,1,0,0,0,0|2,0,1]=4 119 B11R1.86 CC1=CC=CC=C1NC(=S)N PI-24519 [0,1,0,0,0,0|2,0,1]=4 120 B11R1.86 CC1=NC=CN=C1CC(C)C PI-48497 [0,1,0,0,0,0|3,0,0]=4 121 B11R1.86 ClC(=O)Cc1ccccc1C PI-24889 [0,1,0,0,0,0|2,0,1]=4 122 B11R1.86 FC(F)Oc1ccccc1N PI-21174 [0,1,0,0,0,0|3,0,0]=4 123 B11R1.86 FC(Oc1ccccc1Br)F PI-21192 [0,1,0,0,0,0|3,0,0]=4 124 B11R1.86 NC(=S)Nc1ccccc1Br PI-22565 [0,1,0,0,0,0|2,0,1]=4 125 B11R1.86 NC(=S)Nc1ccccc1F PI-29832 [0,1,0,0,0,0|2,0,1]=4 126 B11R1.86 NC1=CC=CC=C1SC(C)C PI-40822 [0,1,0,0,0,0|2,0,0]=3 127 B11R1.86 OC(=O)Cc1ccccc1C PI-30825 [0,1,0,0,0,0|2,0,1]=4 128 B11R1.86 OC(=O)Cc1ccccc1Cl PI-11828 [0,1,0,0,0,0|2,0,1]=4 129 B11R1.86 OC(=O)Cc1ccccc1F PI-16981 [0,1,0,0,0,0|2,0,1]=4 130 B11R1.86 OC(=O)Cc1ccccc1I PI-12208 [0,1,0,0,0,0|2,0,1]=4 131 B11R1.157 C1=CC(=CC(=C1)Br)CC(=O)O PI-22281 [0,1,0,0,0,0|2,0,1]=4 132 B11R1.157 C1=CC(=CC(=C1)Cl)CC(=O)O PI-16021 [0,1,0,0,0,0|2,0,1]=4 133 B11R1.157 C1=CC(=CC(=C1)Cl)N=C(N)N PI-47259 [0,1,0,0,0,0|2,0,1]=4 134 B11R1.157 C1=CC(=CC(=C1)I)CC(=O)O PI-30249 [0,1,0,0,0,0|2,0,1]=4 135 B11R1.157 C1=CC(=CC(=C1)OC(F)F)N PI-21175 [0,1,0,0,0,0|3,0,0]=4 136 B11R1.157 CC(=O)Cc1cccc(c1)Br PI-38558 [0,1,0,0,0,0|1,0,1]=3 137 B11R1.157 CC(=O)NC1=CC(=CC=C1)Br PI-50520 [0,1,0,0,0,0|2,0,1]=4 138 B11R1.157 CC(=O)NC1=CC(=CC=C1)F PI-23433 [0,1,0,0,0,0|2,0,1]=4 139 B11R1.157 CC(=O)NC1=CC=CC(=C1)N PI-17432 [0,1,0,0,0,0|2,0,1]=4 140 B11R1.157 CC(=O)OC1=CC(=CC=C1)F PI-26855 [0,1,0,0,0,0|2,0,1]=4 141 B11R1.157 CC(C)OC1=CC(=CC=C1)Br PI-31927 [0,1,0,0,0,0|2,0,0]=3 142 B11R1.157 CC(C)OC1=CC=CC(=C1)N PI-33132 [0,1,0,0,0,0|2,0,0]=3 143 B11R1.157 CC1=CC(=CC=C1)NC(=S)N PI-24525 [0,1,0,0,0,0|2,0,1]=4 144 B11R1.157 CN(C)CC1=CC(=CC=C1)Br PI-47270 [0,1,0,0,0,0|2,0,0]=3 145 B11R1.157 NC(=S)Nc1cccc(c1)Br PI-22566 [0,1,0,0,0,0|2,0,1]=4 146 B11R1.157 NC(=S)Nc1cccc(c1)Cl PI-40813 [0,1,0,0,0,0|2,0,1]=4 147 B11R1.157 OC(=O)Cc1cccc(c1)F PI-16930 [0,1,0,0,0,0|2,0,1]=4 148 B11R1.157 OC(=O)Cc1cccc(c1)N PI-31063 [0,1,0,0,0,0|2,0,1]=4 149 B11R1.157 OC(=O)Cc1cccc(c1)O PI-11931 [0,1,0,0,0,0|2,0,1]=4 150 B11R1.509 C1=CC=C(C=C1)OC(F)(F)F PI-12216 [0,1,0,0,0,0|3,0,0]=4 151 B11R1.509 C1=CC=C(C=C1)OP(=O)(N)N PI-30898 [0,1,0,0,0,0|3,0,0]=4 152 B11R1.509 C1=CC=C(C=C1)SC(F)(F)F PI-12221 [0,1,0,0,0,0|3,0,0]=4 153 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 PI-28365 [0,1,0,0,0,0|2,0,0]=3 154 B11R1.509 CS(=O)(=O)NC1=CC=CC=C1 PI-13514 [0,1,0,0,0,0|3,0,0]=4 155 B11R1.509 CS(=O)(=O)OC1=CC=CC=C1 PI-12785 [0,1,0,0,0,0|3,0,0]=4 156 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 PI-20351 [0,1,0,0,0,0|2,0,0]=3 157 B11R1.509 C[Si](C)(C)OC1=CC=CC=C1 PI-46060 [0,1,0,0,0,0|2,1,0]=4 158 B11R1.509 ClS(=O)(=O)Cc1ccccc1 PI-30257 [0,1,0,0,0,0|3,0,0]=4 159 B11R1.509 NS(=O)(=O)Cc1ccccc1 PI-30638 [0,1,0,0,0,0|2,0,0]=3 160 B11R1.509 OP(=O)(Cc1ccccc1)O PI-30850 [0,1,0,0,0,0|3,0,0]=4 161 B11R2.4 N[C@H]1C[C@@H]1c2ccccc2 PI-25120 [0,0,0,1,0,0|0,0,0]=1 162 B11R2.10 C1=CC2=NN(N=C2C=C1)N PI-17282 [0,0,0,1,0,0|3,0,0]=4 163 B11R2.10 C1=CC=C2C(=C1)N=C(S2)N PI-45314 [0,0,0,1,0,0|2,0,1]=4 164 B11R2.10 C1=CC=C2C(=C1)NC(=S)N2 PI-13021 [0,0,0,1,0,0|2,0,1]=4 165 B11R2.10 C1=CC=C2C(=C1)NC(=S)O2 PI-32430 [0,0,0,1,0,0|2,0,1]=4 166 B11R2.10 C1C(=O)CC2=CC=CC=C21 PI-11611 [0,0,0,1,0,0|1,0,1]=3 167 B11R2.10 C1C(CC2=CC=CC=C21)O PI-11612 [0,0,0,1,0,0|1,0,0]=2 168 B11R2.10 C1C2=CC=CC=C2C=C1Br PI-24035 [0,0,0,1,0,0|1,0,2]=4 169 B11R2.10 CC1=CC2=CC=CC=C2C1 PI-30321 [0,0,0,1,0,0|1,0,1]=3 170 B11R2.10 CC1=CC2=CC=CC=C2N1 PI-31662 [0,0,0,1,0,0|0,0,2]=3 171 B11R2.10 CC1=CC2=CC=CC=C2S1 PI-29081 [0,0,0,1,0,0|1,0,2]=4 172 B11R2.10 CC1=NC2=CC=CC=C2N1 PI-11865 [0,0,0,1,0,0|1,0,1]=3 173 B11R2.10 CC1=NC2=CC=CC=C2O1 PI-11866 [0,0,0,1,0,0|1,0,2]=4 174 B11R2.10 CC1CC2=CC=CC=C2O1 PI-17206 [0,0,0,1,0,0|1,0,0]=2 175 B11R2.10 CC1NC2=C(C=CC=C2)C1 PI-11338 [0,0,0,1,0,0|0,0,0]=1 176 B11R2.10 Clc1nc2c([nH]1)cccc2 PI-31005 [0,0,0,1,0,0|2,0,1]=4 177 B11R2.10 NC1CC2=C(C=CC=C2)C1 PI-37165 [0,0,0,1,0,0|0,0,0]=1 178 B11R2.10 Nc1nc2c(s1)cccc2 PI-31667 [0,0,0,1,0,0|2,0,1]=4 179 B11R2.10 Nc1nc2ccccc2[nH]1 PI-31350 [0,0,0,1,0,0|2,0,1]=4 180 B11R2.10 Nc1nc2ccccc2o1 PI-17283 [0,0,0,1,0,0|2,0,1]=4 181 B11R2.10 O=C1Cc2c(N1)cccc2 PI-11084 [0,0,0,1,0,0|1,0,1]=3 182 B11R2.10 O=C1Cc2ccccc2O1 PI-18682 [0,0,0,1,0,0|2,0,1]=4 183 B11R2.10 O=c1oc2ccccc2[nH]1 PI-11480 [0,0,0,1,0,0|2,0,1]=4 184 B11R2.10 O=c1sc2ccccc2[nH]1 PI-12052 [0,0,0,1,0,0|2,0,1]=4 185 B11R2.10 Oc1nc2ccccc2[nH]1 PI-16421 [0,0,0,1,0,0|2,0,1]=4 186 B11R2.238 C1CC1Sc2ccccc2 PI-25166 [0,0,0,1,0,0|2,0,0]=3 187 B9R1.6 C1=CC(=CN=C1)C(=O)N PI-14591 [0,0,0,0,1,0|2,0,1]=4 188 B9R1.6 C1=CC(=CN=C1)C(=S)N PI-41116 [0,0,0,0,1,0|2,0,1]=4 189 B9R1.6 C1=CC=C(C=C1)C(=O)Br PI-46923 [0,0,0,0,1,0|2,0,1]=4 190 B9R1.6 C1=CN=CC=C1C(=N)N PI-17542 [0,0,0,0,1,0|2,0,1]=4 191 B9R1.6 C1=CN=CC=C1C(=N)N PI-36524 [0,0,0,0,1,0|2,0,1]=4 192 B9R1.6 C1=CN=CC=C1C(=O)N PI-46036 [0,0,0,0,1,0|2,0,1]=4 193 B9R1.6 C1=CN=CC=C1C(=S)N PI-41117 [0,0,0,0,1,0|2,0,1]=4 194 B9R1.6 CC(=O)C1=CC=CC=N1 PI-48516 [0,0,0,0,1,0|2,0,1]=4 195 B9R1.6 CC(=O)c1cccnc1 PI-32250 [0,0,0,0,1,0|2,0,1]=4 196 B9R1.6 CC(=O)c1ccncc1 PI-38297 [0,0,0,0,1,0|2,0,1]=4 197 B9R1.6 CC(C)c1ccncc1 PI-16693 [0,0,0,0,1,0|2,0,0]=3 198 B9R1.6 CC(C1=CC=CC=C1)N PI-32638 [0,0,0,0,1,0|0,0,0]=1 199 B9R1.6 CC(C1=CN=CN=C1)N PI-43048 [0,0,0,0,1,0|2,0,0]=3 200 B9R1.6 CC(C1=NC=CN=C1)N PI-37121 [0,0,0,0,1,0|2,0,0]=3 201 B9R1.6 CC(c1ccccn1)N PI-38576 [0,0,0,0,1,0|1,0,0]=2 202 B9R1.6 CC(c1ccncc1)N PI-38572 [0,0,0,0,1,0|1,0,0]=2 203 B9R1.6 CN(C)c1ccncc1 PI-16263 [0,0,0,0,1,0|3,0,0]=4 204 B9R1.6 CN(C1=CC=CC=C1)N PI-29778 [0,0,0,0,1,0|1,0,0]=2 205 B9R1.6 C[C@@H](C1=CC=CC=C1)O PI-50011 [0,0,0,0,1,0|1,0,0]=2 206 B9R1.6 C[C@@H](C1=CC=NC=C1)O PI-49831 [0,0,0,0,1,0|2,0,0]=3 207 B9R1.6 C[C@@H](N)c1ccccn1 PI-36896 [0,0,0,0,1,0|1,0,0]=2 208 B9R1.6 C[C@@H](O)C1=NC=CC=C1 PI-42552 [0,0,0,0,1,0|2,0,0]=3 209 B9R1.6 C[C@@H](c1ccccc1)N PI-11219 [0,0,0,0,1,0|0,0,0]=1 210 B9R1.6 C[C@H](C1=CC=NC=C1)O PI-49830 [0,0,0,0,1,0|2,0,0]=3 211 B9R1.6 C[C@H](O)C1=NC=CC=C1 PI-42531 [0,0,0,0,1,0|2,0,0]=3 212 B9R1.6 C[C@H](c1ccccc1)N PI-11221 [0,0,0,0,1,0|0,0,0]=1 213 B9R1.6 C[C@H](c1ccccc1)O PI-38963 [0,0,0,0,1,0|1,0,0]=2 214 B9R1.6 C[SiH](c1ccccc1)C PI-39122 [0,0,0,0,1,0|1,1,0]=3 215 B9R1.6 FC(c1ccccn1)F PI-35198 [0,0,0,0,1,0|3,0,0]=4 216 B9R1.6 N=C(C1=CC=CN=C1)N PI-36525 [0,0,0,0,1,0|2,0,1]=4 217 B9R1.6 N=C(N)C1=CN=CC=C1 PI-30891 [0,0,0,0,1,0|2,0,1]=4 218 B9R1.6 NC(=N)c1ccccc1 PI-30200 [0,0,0,0,1,0|1,0,1]=3 219 B9R1.6 NC(=N)c1ccccn1 PI-30669 [0,0,0,0,1,0|2,0,1]=4 220 B9R1.6 NC(=O)c1cccnc1 PI-12870 [0,0,0,0,1,0|2,0,1]=4 221 B9R1.6 NC(=S)c1ccccc1 PI-29356 [0,0,0,0,1,0|1,0,1]=3 222 B9R1.6 OB(O)c1ccccc1 PI-16480 [0,0,0,0,1,0|3,0,0]=4 223 B9R1.13 CC(C)CC1=NC=CS1 PI-11127 [0,0,0,0,1,0|3,0,0]=4 224 B9R1.13 CC(N)CC1=CC=CS1 PI-40008 [0,0,0,0,1,0|1,0,0]=2 225 B9R1.13 CC(N)Cc1ccco1 PI-36445 [0,0,0,0,1,0|1,0,0]=2 226 B9R1.13 CN(C)C=C1C=CC=C1 PI-48994 [0,0,0,0,1,0|2,0,1]=4 227 B11R1.91 C1=CC=C(C=C1)CCC(=O)Cl PI-11944 [0,0,0,0,0,1|2,0,1]=4 228 B11R1.91 C1=CC=C(C=C1)NCC(=O)O PI-14870 [0,0,0,0,0,1|2,0,1]=4 229 B11R1.91 C1=CC=C(C=C1)OCC(=O)O PI-32615 [0,0,0,0,0,1|2,0,1]=4 230 B11R1.91 C1=CC=C(C=C1)OCC(=O)[O-] PI-50538 [0,0,0,0,0,1|2,0,1]=4 231 B11R1.91 CC(=NNC1=CC=CC=C1)C PI-44567 [0,0,0,0,0,1|2,0,1]=4 232 B11R1.91 CC(=O)NNc1ccccc1 PI-32317 [0,0,0,0,0,1|2,0,1]=4 233 B11R1.91 CC(C)N=CC1=CC=CC=C1 PI-19838 [0,0,0,0,0,1|1,0,1]=3 234 B11R1.91 CC(CCC1=CC=CC=C1)N PI-33450 [0,0,0,0,0,1|0,0,0]=1 235 B11R1.91 CN(C)N=CC1=CC=CC=C1 PI-26056 [0,0,0,0,0,1|2,0,1]=4 236 B11R1.91 C[C@@H](CCC1=CC=CC=C1)O PI-49833 [0,0,0,0,0,1|1,0,0]=2 237 B11R1.91 C[C@H](CCC1=CC=CC=C1)O PI-49832 [0,0,0,0,0,1|1,0,0]=2 238 B11R1.91 NC(=O)\C=C\c1ccccc1 PI-30792 [0,0,0,0,0,1|1,0,2]=4 239 B11R1.91 NC(=S)NCc1ccccc1 PI-20347 [0,0,0,0,0,1|1,0,1]=3 240 B11R1.91 OB(O)CCc1ccccc1 PI-25460 [0,0,0,0,0,1|3,0,0]=4 241 B11R1.91 [O-]C(=O)CNc1ccccc1 PI-17946 [0,0,0,0,0,1|2,0,1]=4 242 B11R1.91 [O-][N+](=O)CCc1ccccc1 PI-35182 [0,0,0,0,0,1|3,0,0]=4 243 B8R1.2 BrCC1=CC=CC=C1 PI-36476 [2,0,0,0,0,0|1,0,0]=3 244 B8R1.2 C#CC1=CC=CC=C1 PI-48958 [2,0,0,0,0,0|0,0,2]=4 245 B8R1.2 C1=C(N=CC=N1)CN PI-42651 [2,0,0,0,0,0|2,0,0]=4 246 B8R1.2 C1=CC(=CN=C1)CCl PI-16717 [2,0,0,0,0,0|2,0,0]=4 247 B8R1.2 C1=CC(=CN=C1)NN PI-39291 [2,0,0,0,0,0|2,0,0]=4 248 B8R1.2 C1=CC=NC(=C1)NN PI-46991 [2,0,0,0,0,0|2,0,0]=4 249 B8R1.2 C1=CC=NC(=C1)NN PI-50652 [2,0,0,0,0,0|2,0,0]=4 250 B8R1.2 C1=CN=CC=C1CCl PI-31734 [2,0,0,0,0,0|2,0,0]=4 251 B8R1.2 C1=CN=CC=C1CO PI-16744 [2,0,0,0,0,0|2,0,0]=4 252 B8R1.2 CCC1=CC=CC=N1 PI-49466 [2,0,0,0,0,0|1,0,0]=3 253 B8R1.2 CCC1=NC=CN=C1 PI-11040 [2,0,0,0,0,0|2,0,0]=4 254 B8R1.2 CC[N+]1=CC=CC=C1 PI-13342 [2,0,0,0,0,0|1,0,0]=3 255 B8R1.2 CC[N+]1=CC=CC=C1 PI-13347 [2,0,0,0,0,0|1,0,0]=3 256 B8R1.2 CNC1=CC=CC=N1 PI-11864 [2,0,0,0,0,0|2,0,0]=4 257 B8R1.2 CNC1=CC=NC=C1 PI-23603 [2,0,0,0,0,0|2,0,0]=4 258 B8R1.2 CNC1=CN=CC=C1 PI-11328 [2,0,0,0,0,0|2,0,0]=4 259 B8R1.2 COC1=CC=CC=N1 PI-33887 [2,0,0,0,0,0|2,0,0]=4 260 B8R1.2 COC1=CC=NC=C1 PI-10034 [2,0,0,0,0,0|2,0,0]=4 261 B8R1.2 COC1=CN=CC=C1 PI-33889 [2,0,0,0,0,0|2,0,0]=4 262 B8R1.2 CSC1=CC=CC=N1 PI-16757 [2,0,0,0,0,0|2,0,0]=4 263 B8R1.2 ClCC1=NC=CC=C1 PI-11827 [2,0,0,0,0,0|2,0,0]=4 264 B8R1.2 ClCc1ccccn1 PI-16716 [2,0,0,0,0,0|2,0,0]=4 265 B8R1.2 NCC1=CC=CC=C1 PI-37209 [2,0,0,0,0,0|0,0,0]=2 266 B8R1.2 NCC1=CC=NC=C1 PI-41875 [2,0,0,0,0,0|1,0,0]=3 267 B8R1.2 NCc1ccccn1 PI-33905 [2,0,0,0,0,0|1,0,0]=3 268 B8R1.2 NCc1cccnc1 PI-15236 [2,0,0,0,0,0|1,0,0]=3 269 B8R1.2 NCc1ccncc1 PI-31790 [2,0,0,0,0,0|1,0,0]=3 270 B8R1.2 NCc1ncccn1 PI-34855 [2,0,0,0,0,0|2,0,0]=4 271 B8R1.2 NCc1ncccn1 PI-34856 [2,0,0,0,0,0|2,0,0]=4 272 B8R1.2 NNC1=CC=CC=C1 PI-41551 [2,0,0,0,0,0|1,0,0]=3 273 B8R1.2 OCC1=CC=CN=C1 PI-11019 [2,0,0,0,0,0|2,0,0]=4 274 B8R1.2 OCC1=NC=CC=C1 PI-16261 [2,0,0,0,0,0|2,0,0]=4 275 B8R1.2 OCc1ccncc1 PI-16686 [2,0,0,0,0,0|2,0,0]=4 276 B8R1.2 ONc1ccccc1 PI-38448 [2,0,0,0,0,0|2,0,0]=4 277 B8R1.2 [C-]#CC1=CC=CC=C1 PI-48435 [2,0,0,0,0,0|0,0,2]=4 278 B10R1.1 BrCCc1ccc(Br)cc1 PI-19204 [1,1,0,0,0,0|1,0,0]=3 279 B10R1.1 BrCCc1ccc(C)cc1 PI-21425 [1,1,0,0,0,0|1,0,0]=3 280 B10R1.1 BrCCc1ccc(Cl)cc1 PI-21415 [1,1,0,0,0,0|1,0,0]=3 281 B10R1.1 BrCCc1ccc(F)cc1 PI-21419 [1,1,0,0,0,0|1,0,0]=3 282 B10R1.1 BrCCc1ccc(cc1)O PI-19128 [1,1,0,0,0,0|1,0,0]=3 283 B10R1.1 C1=CC(=CC=C1CC#N)Br PI-14499 [1,1,0,0,0,0|0,0,2]=4 284 B10R1.1 C1=CC(=CC=C1CC#N)F PI-16868 [1,1,0,0,0,0|0,0,2]=4 285 B10R1.1 C1=CC(=CC=C1CC#N)N PI-30515 [1,1,0,0,0,0|0,0,2]=4 286 B10R1.1 C1=CC(=CC=C1CCCl)F PI-20050 [1,1,0,0,0,0|1,0,0]=3 287 B10R1.1 C1=CC(=CC=C1CCN)F PI-33070 [1,1,0,0,0,0|0,0,0]=2 288 B10R1.1 C1=CC(=CC=C1CCO)Br PI-44966 [1,1,0,0,0,0|1,0,0]=3 289 B10R1.1 C1=CC(=CC=C1CCO)Cl PI-46018 [1,1,0,0,0,0|1,0,0]=3 290 B10R1.1 C1=CC(=CC=C1CCO)N PI-10092 [1,1,0,0,0,0|1,0,0]=3 291 B10R1.1 C1=CC(=CC=C1CCO)O PI-29634 [1,1,0,0,0,0|1,0,0]=3 292 B10R1.1 CC1=CC=C(C=C1)SCCl PI-19470 [1,1,0,0,0,0|2,0,0]=4 293 B10R1.1 CCCC1=CC=C(C=C1)Br PI-16232 [1,1,0,0,0,0|0,0,0]=2 294 B10R1.1 CCCC1=CC=C(C=C1)I PI-19089 [1,1,0,0,0,0|0,0,0]=2 295 B10R1.1 CCCC1=CC=C(C=C1)O PI-16209 [1,1,0,0,0,0|0,0,0]=2 296 B10R1.1 CCCC1=CN=C(N=C1)Cl PI-20233 [1,1,0,0,0,0|2,0,0]=4 297 B10R1.1 CCOC1=CC=C(C=C1)Br PI-34197 [1,1,0,0,0,0|1,0,0]=3 298 B10R1.1 CCOC1=CC=C(C=C1)I PI-12223 [1,1,0,0,0,0|1,0,0]=3 299 B10R1.1 CCOC1=NC=C(C=C1)Br PI-23209 [1,1,0,0,0,0|2,0,0]=4 300 B10R1.1 CCOc1ccc(cc1)O PI-27806 [1,1,0,0,0,0|1,0,0]=3 301 B10R1.1 CCOc1ccc(cn1)N PI-33888 [1,1,0,0,0,0|2,0,0]=4 302 B10R1.1 CNCC1=CC=C(C=C1)N PI-30552 [1,1,0,0,0,0|1,0,0]=3 303 B10R1.1 FC1=CC=C(OCC)C=C1 PI-22032 [1,1,0,0,0,0|1,0,0]=3 304 B10R1.1 N#CCC1=CC=C(O)C=C1 PI-11988 [1,1,0,0,0,0|0,0,2]=4 305 B10R1.1 N#CCc1ccc(cc1)C PI-12004 [1,1,0,0,0,0|0,0,2]=4 306 B10R1.1 NCCC1=CC=C(Br)C=C1 PI-15694 [1,1,0,0,0,0|0,0,0]=2 307 B10R1.1 NCCc1ccc(Br)cc1 PI-22229 [1,1,0,0,0,0|0,0,0]=2 308 B10R1.1 NCCc1ccc(O)cc1 PI-16006 [1,1,0,0,0,0|0,0,0]=2 309 B10R1.1 NCCc1ccc(O)cc1 PI-16007 [1,1,0,0,0,0|0,0,0]=2 310 B10R1.1 NCCc1ccc(cc1)N PI-10153 [1,1,0,0,0,0|0,0,0]=2 311 B10R1.1 OCCc1ccc(F)cc1 PI-28804 [1,1,0,0,0,0|1,0,0]=3 312 B10R1.1 [C-]#[N+]CC1=CC=C(C=C1)Cl PI-23615 [1,1,0,0,0,0|1,0,1]=4 313 B10R1.4 BrCCc1ccccc1C PI-21423 [1,1,0,0,0,0|1,0,0]=3 314 B10R1.4 BrCCc1ccccc1Cl PI-21413 [1,1,0,0,0,0|1,0,0]=3 315 B10R1.4 BrCCc1ccccc1F PI-34239 [1,1,0,0,0,0|1,0,0]=3 316 B10R1.4 C1=CC=C(C(=C1)C=NN)O PI-27488 [1,1,0,0,0,0|1,0,1]=4 317 B10R1.4 C1=CC=C(C(=C1)CC#N)Br PI-22282 [1,1,0,0,0,0|0,0,2]=4 318 B10R1.4 C1=CC=C(C(=C1)CC#N)F PI-16866 [1,1,0,0,0,0|0,0,2]=4 319 B10R1.4 C1=CC=C(C(=C1)CCO)F PI-23810 [1,1,0,0,0,0|1,0,0]=3 320 B10R1.4 C1=CC=C(C(=C1)CNN)F PI-50605 [1,1,0,0,0,0|1,0,0]=3 321 B10R1.4 C=CCC1=CC=CC=C1O PI-46039 [1,1,0,0,0,0|0,0,2]=4 322 B10R1.4 CCNC1=CC=CC=C1F PI-22091 [1,1,0,0,0,0|1,0,0]=3 323 B10R1.4 CCOC1=CC=CC=C1F PI-23815 [1,1,0,0,0,0|1,0,0]=3 324 B10R1.4 CCOC1=CC=CC=C1N PI-30971 [1,1,0,0,0,0|1,0,0]=3 325 B10R1.4 CCOc1ccncc1N PI-33891 [1,1,0,0,0,0|2,0,0]=4 326 B10R1.4 N#CCc1ccccc1Cl PI-11829 [1,1,0,0,0,0|0,0,2]=4 327 B10R1.4 N#CCc1ccccc1N PI-16130 [1,1,0,0,0,0|0,0,2]=4 328 B10R1.4 NCCc1ccccc1Br PI-39292 [1,1,0,0,0,0|0,0,0]=2 329 B10R1.4 NCCc1ccccc1Cl PI-20209 [1,1,0,0,0,0|0,0,0]=2 330 B10R1.4 NCCc1ccccc1F PI-38584 [1,1,0,0,0,0|0,0,0]=2 331 B10R1.4 NOCc1ccccc1Cl PI-39246 [1,1,0,0,0,0|1,0,0]=3 332 B10R1.4 [C-]#[N+]Cc1ccccc1Cl PI-23174 [1,1,0,0,0,0|1,0,1]=4 333 B10R1.10 BrCCc1cccc(C)c1 PI-21424 [1,1,0,0,0,0|1,0,0]=3 334 B10R1.10 BrCCc1cccc(Cl)c1 PI-21414 [1,1,0,0,0,0|1,0,0]=3 335 B10R1.10 C1=CC(=CC(=C1)Br)CCN PI-48226 [1,1,0,0,0,0|0,0,0]=2 336 B10R1.10 C1=CC(=CC(=C1)F)CCBr PI-23811 [1,1,0,0,0,0|1,0,0]=3 337 B10R1.10 C1=CC(=CC(=C1)O)CCN PI-12399 [1,1,0,0,0,0|0,0,0]=2 338 B10R1.10 C1=CC(=CC(=C1)O)CCO PI-48194 [1,1,0,0,0,0|1,0,0]=3 339 B10R1.10 CCCC1=CC(=NC=C1)N PI-19769 [1,1,0,0,0,0|1,0,0]=3 340 B10R1.10 CCOC1=CC(=CC=C1)F PI-33067 [1,1,0,0,0,0|1,0,0]=3 341 B10R1.10 CCOC1=CC(=CC=C1)S PI-21359 [1,1,0,0,0,0|1,0,0]=3 342 B10R1.10 CCOC1=NC=CC(=C1)N PI-31798 [1,1,0,0,0,0|2,0,0]=4 343 B10R1.10 CCOc1cccc(c1)Br PI-38261 [1,1,0,0,0,0|1,0,0]=3 344 B10R1.10 N#CCc1cccc(Cl)c1 PI-11917 [1,1,0,0,0,0|0,0,2]=4 345 B10R1.10 N#CCc1cccc(F)c1 PI-16867 [1,1,0,0,0,0|0,0,2]=4 346 B10R1.10 N#CCc1cccc(c1)Br PI-11912 [1,1,0,0,0,0|0,0,2]=4 347 B10R1.10 NCCc1cccc(c1)F PI-33071 [1,1,0,0,0,0|0,0,0]=2 348 B10R1.10 OCCc1cccc(c1)Cl PI-38594 [1,1,0,0,0,0|1,0,0]=3 349 B10R1.10 [C-]#[N+]Cc1cccc(c1)Cl PI-23614 [1,1,0,0,0,0|1,0,1]=4 350 B10R1.15 C1=CC=C(C=C1)C(C#N)O PI-38881 [1,1,0,0,0,0|0,0,2]=4 351 B10R1.15 C1=CC=C(C=C1)C(CCl)O PI-42549 [1,1,0,0,0,0|1,0,0]=3 352 B10R1.15 C1=CC=C(C=C1)C(CCl)O PI-42550 [1,1,0,0,0,0|1,0,0]=3 353 B10R1.15 C1=CC=C(C=C1)C(CN)O PI-30384 [1,1,0,0,0,0|0,0,0]=2 354 B10R1.15 C1=CC=C(C=C1)C(CO)O PI-19178 [1,1,0,0,0,0|1,0,0]=3 355 B10R1.15 CC(C1=CC=CC=C1)NC PI-26776 [1,1,0,0,0,0|1,0,0]=3 356 B10R1.15 CC(CN)C1=CC=CC=C1 PI-10356 [1,1,0,0,0,0|0,0,0]=2 357 B10R1.15 CCC(=O)c1ccncc1 PI-36821 [1,1,0,0,0,0|1,0,1]=4 358 B10R1.15 CCC(C1=CC=CC=C1)N PI-16663 [1,1,0,0,0,0|0,0,0]=2 359 B10R1.15 CCC(O)c1ccccc1 PI-31770 [1,1,0,0,0,0|0,0,0]=2 360 B10R1.15 CCN(C)C1=CC=CC=C1 PI-35465 [1,1,0,0,0,0|1,0,0]=3 361 B10R1.15 CCN(C1=CC=CC=C1)N PI-29822 [1,1,0,0,0,0|1,0,0]=3 362 B10R1.15 CC[C@@H](C1=CC=CC=C1)O PI-49816 [1,1,0,0,0,0|0,0,0]=2 363 B10R1.15 CC[C@@H](c1ccccc1)N PI-16662 [1,1,0,0,0,0|0,0,0]=2 364 B10R1.15 CC[C@H](C1=CC=CC=C1)O PI-49815 [1,1,0,0,0,0|0,0,0]=2 365 B10R1.15 CNC(=O)c1ccccc1 PI-29765 [1,1,0,0,0,0|1,0,1]=4 366 B10R1.15 COC(=N)C1=CC=CC=C1 PI-19741 [1,1,0,0,0,0|1,0,1]=4 367 B10R1.15 C[C@H](CN)c1ccccc1 PI-10355 [1,1,0,0,0,0|0,0,0]=2 368 B10R1.15 NCC(=O)c1ccccc1 PI-29691 [1,1,0,0,0,0|0,0,1]=3 369 B10R1.15 NCC(O)c1ccccc1 PI-17268 [1,1,0,0,0,0|0,0,0]=2 370 B10R1.15 NC[C@H](c1ccccc1)O PI-30721 [1,1,0,0,0,0|0,0,0]=2 371 B10R1.15 OC(C1=CC=CC=C1)CO PI-39570 [1,1,0,0,0,0|1,0,0]=3 372 B10R1.15 OCC(=O)c1ccccc1 PI-11851 [1,1,0,0,0,0|1,0,1]=4 373 B10R1.15 OC[C@@H](N)c1ccccc1 PI-16634 [1,1,0,0,0,0|1,0,0]=3 374 B10R1.15 OC[C@@H](c1ccccc1)N PI-16633 [1,1,0,0,0,0|1,0,0]=3 375 B10R1.15 OC[C@H](c1ccccc1)O PI-17035 [1,1,0,0,0,0|1,0,0]=3 376 B10R1.17 C1=CC(=CN=C1)CCCO PI-33814 [1,1,0,0,0,0|1,0,0]=3 377 B10R1.17 C1=CC=C(C=C1)C#CCO PI-48957 [1,1,0,0,0,0|0,0,2]=4 378 B10R1.17 C1=CC=C(C=C1)CN=C=S PI-28698 [1,1,0,0,0,0|1,0,1]=4 379 B10R1.17 C1=CC=C(C=C1)COCCl PI-28438 [1,1,0,0,0,0|1,0,0]=3 380 B10R1.17 C1=CC=C(C=C1)OCCBr PI-31495 [1,1,0,0,0,0|1,0,0]=3 381 B10R1.17 C1=CC=C(C=C1)OCCCl PI-12172 [1,1,0,0,0,0|1,0,0]=3 382 B10R1.17 C1=CC=C(C=C1)OCCN PI-12173 [1,1,0,0,0,0|0,0,0]=2 383 B10R1.17 C1=CC=C(C=C1)\C=C\CBr PI-46926 [1,1,0,0,0,0|0,0,2]=4 384 B10R1.17 C=CCOc1ccccc1 PI-36466 [1,1,0,0,0,0|0,0,2]=4 385 B10R1.17 CCCCC1=CC=CC=N1 PI-13327 [1,1,0,0,0,0|1,0,0]=3 386 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-13343 [1,1,0,0,0,0|1,0,0]=3 387 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-13349 [1,1,0,0,0,0|1,0,0]=3 388 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-45700 [1,1,0,0,0,0|1,0,0]=3 389 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-45703 [1,1,0,0,0,0|1,0,0]=3 390 B10R1.17 CCCSC1=CC=CC=C1 PI-19961 [1,1,0,0,0,0|0,0,0]=2 391 B10R1.17 CNCCC1=CC=CC=N1 PI-13780 [1,1,0,0,0,0|1,0,0]=3 392 B10R1.17 CNCCC1=CC=CC=N1 PI-13781 [1,1,0,0,0,0|1,0,0]=3 393 B10R1.17 CNCCc1ccncc1 PI-12002 [1,1,0,0,0,0|1,0,0]=3 394 B10R1.17 ClCCCc1ccccc1 PI-33374 [1,1,0,0,0,0|0,0,0]=2 395 B10R1.17 ClCSCc1ccccc1 PI-19537 [1,1,0,0,0,0|1,0,0]=3 396 B10R1.17 N#CSCc1ccccc1 PI-32979 [1,1,0,0,0,0|0,0,2]=4 397 B10R1.17 NCCCc1ccccc1 PI-11351 [1,1,0,0,0,0|0,0,0]=2 398 B10R1.17 OCCCc1ccccn1 PI-33813 [1,1,0,0,0,0|1,0,0]=3 399 B10R1.17 OCCCc1ccncc1 PI-31736 [1,1,0,0,0,0|1,0,0]=3 400 B10R1.17 [NH-]=[N+]=NCc1ccccc1 PI-14174 [1,1,0,0,0,0|1,0,1]=4 401 B10R1.13 C1=C(C(=N)N)C=CC(=C1)F PI-38824 [0,1,0,0,1,0|1,0,1]=4 402 B10R1.13 C1=CC(=CC=C1C(=N)N)Cl PI-23130 [0,1,0,0,1,0|1,0,1]=4 403 B10R1.13 C1=CC(=CC=C1C(=N)N)Cl PI-36543 [0,1,0,0,1,0|1,0,1]=4 404 B10R1.13 C1=CC(=CC=C1C(=N)N)N PI-10167 [0,1,0,0,1,0|1,0,1]=4 405 B10R1.13 C1=CC(=CC=C1C(=N)N)N PI-30927 [0,1,0,0,1,0|1,0,1]=4 406 B10R1.13 C1=CC(=CC=C1C(=O)N)Cl PI-30790 [0,1,0,0,1,0|1,0,1]=4 407 B10R1.13 C1=CC(=CC=C1C(=O)N)O PI-20729 [0,1,0,0,1,0|1,0,1]=4 408 B10R1.13 C1=CC(=CC=C1C(=S)N)Br PI-22614 [0,1,0,0,1,0|1,0,1]=4 409 B10R1.13 C1=CC(=CC=C1C(Cl)Cl)F PI-19632 [0,1,0,0,1,0|2,0,0]=4 410 B10R1.13 C1=CC(=CC=C1C(F)F)Br PI-21636 [0,1,0,0,1,0|2,0,0]=4 411 B10R1.13 C1=CC(=CC=C1C(N)=O)F PI-28843 [0,1,0,0,1,0|1,0,1]=4 412 B10R1.13 CC(=O)C1=CC=C(C=C1)Br PI-44871 [0,1,0,0,1,0|1,0,1]=4 413 B10R1.13 CC(=O)C1=CC=C(C=C1)N PI-29588 [0,1,0,0,1,0|1,0,1]=4 414 B10R1.13 CC(=O)c1ccc(cc1)I PI-29117 [0,1,0,0,1,0|1,0,1]=4 415 B10R1.13 CC(C)C1=CC=C(C=C1)Br PI-32313 [0,1,0,0,1,0|1,0,0]=3 416 B10R1.13 CC(C)C1=CC=C(C=C1)N PI-50230 [0,1,0,0,1,0|1,0,0]=3 417 B10R1.13 CC(C)C1=CC=C(C=C1)S PI-21362 [0,1,0,0,1,0|1,0,0]=3 418 B10R1.13 CC(C1=CC=C(C=C1)Br)N PI-19358 [0,1,0,0,1,0|0,0,0]=2 419 B10R1.13 CC(C1=CC=C(C=C1)Br)O PI-32579 [0,1,0,0,1,0|1,0,0]=3 420 B10R1.13 CC(C1=CC=C(C=C1)Cl)N PI-47032 [0,1,0,0,1,0|0,0,0]=2 421 B10R1.13 CC(C1=CC=C(C=C1)N)O PI-11962 [0,1,0,0,1,0|1,0,0]=3 422 B10R1.13 CC(C1=CC=C(O)C=C1)=O PI-37424 [0,1,0,0,1,0|1,0,1]=4 423 B10R1.13 CC(N)C1=NC=C(F)C=C1 PI-41878 [0,1,0,0,1,0|1,0,0]=3 424 B10R1.13 CC(c1ccc(cc1)Cl)O PI-11234 [0,1,0,0,1,0|1,0,0]=3 425 B10R1.13 CC1=CC=C(C=C1)C(=N)N PI-29803 [0,1,0,0,1,0|1,0,1]=4 426 B10R1.13 CC1=CC=C(C=C1)C(=O)C PI-32267 [0,1,0,0,1,0|1,0,1]=4 427 B10R1.13 CC1=CC=C(C=C1)C(=S)N PI-30352 [0,1,0,0,1,0|1,0,1]=4 428 B10R1.13 CC1=CC=C(C=C1)C(C)O PI-32578 [0,1,0,0,1,0|1,0,0]=3 429 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O PI-49806 [0,1,0,0,1,0|1,0,0]=3 430 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O PI-49807 [0,1,0,0,1,0|1,0,0]=3 431 B10R1.13 CN(C)C1=CC=C(C=C1)N PI-29738 [0,1,0,0,1,0|2,0,0]=4 432 B10R1.13 CN(C)C1=CC=C(C=C1)S PI-23412 [0,1,0,0,1,0|2,0,0]=4 433 B10R1.13 CN(c1ccc(cc1)Br)C PI-32601 [0,1,0,0,1,0|2,0,0]=4 434 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 PI-37362 [0,1,0,0,1,0|1,0,0]=3 435 B10R1.13 C[C@@H](c1ccc(cc1)Br)N PI-16658 [0,1,0,0,1,0|0,0,0]=2 436 B10R1.13 C[C@@H](c1ccc(cc1)Cl)O PI-36982 [0,1,0,0,1,0|1,0,0]=3 437 B10R1.13 C[C@@H](c1ccc(cc1)F)N PI-43974 [0,1,0,0,1,0|0,0,0]=2 438 B10R1.13 C[C@H](C1=CC=C(C=C1)O)O PI-49819 [0,1,0,0,1,0|1,0,0]=3 439 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 PI-41877 [0,1,0,0,1,0|1,0,0]=3 440 B10R1.13 C[C@H](c1ccc(cc1)Cl)O PI-36954 [0,1,0,0,1,0|1,0,0]=3 441 B10R1.13 Cc1ccc(cc1)C(C)C PI-39397 [0,1,0,0,1,0|1,0,0]=3 442 B10R1.13 Fc1ccc(cc1)C(C)O PI-32580 [0,1,0,0,1,0|1,0,0]=3 443 B10R1.13 NC(=N)c1ccc(cc1)Cl PI-30146 [0,1,0,0,1,0|1,0,1]=4 444 B10R1.13 NC(=O)c1ccc(cc1)Br PI-30860 [0,1,0,0,1,0|1,0,1]=4 445 B10R1.13 NC(=S)c1ccc(cc1)Cl PI-30378 [0,1,0,0,1,0|1,0,1]=4 446 B10R1.13 NC(=S)c1ccc(cc1)O PI-20877 [0,1,0,0,1,0|1,0,1]=4 447 B10R1.13 Nc1ccc(cc1)C(=O)N PI-38043 [0,1,0,0,1,0|1,0,1]=4 448 B10R1.13 Nc1ccc(cc1)N(C)C PI-29785 [0,1,0,0,1,0|2,0,0]=4 449 B10R1.13 Nc1ccc(cc1)N(C)C PI-30690 [0,1,0,0,1,0|2,0,0]=4 450 B10R1.13 Nc1ccc(nc1)C(C)C PI-38600 [0,1,0,0,1,0|2,0,0]=4 451 B10R1.13 O=C(N)C1=CC=C(I)C=C1 PI-41985 [0,1,0,0,1,0|1,0,1]=4 452 B10R1.13 O=[S@@](C1=CC=C(C)C=C1)N PI-41430 [0,1,0,0,1,0|2,0,0]=4 453 B10R1.13 O=[S@](C1=CC=C(C)C=C1)N PI-41427 [0,1,0,0,1,0|2,0,0]=4 454 B10R1.13 Oc1ccc(cc1)C(=N)N PI-20730 [0,1,0,0,1,0|1,0,1]=4 455 B10R1.28 CC(C)(C)c1ccncc1 PI-38985 [0,1,0,0,1,0|2,0,0]=4 456 B10R1.28 CC(O)(C1=CC=CC=C1)C PI-37326 [0,1,0,0,1,0|1,0,0]=3 457 B10R1.28 CC(c1ccccc1)(Cl)C PI-21943 [0,1,0,0,1,0|1,0,0]=3 458 B10R1.28 CP(=O)(C1=CC=CC=C1)O PI-30611 [0,1,0,0,1,0|2,0,0]=4 459 B10R1.28 CS(=O)(=O)c1ccccc1 PI-24312 [0,1,0,0,1,0|2,0,0]=4 460 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 PI-30419 [0,1,0,0,1,0|2,0,0]=4 461 B10R1.28 C[N+](c1ccccc1)(C)C PI-39595 [0,1,0,0,1,0|2,0,0]=4 462 B10R1.28 C[Si](C)(C1=CC=CC=C1)Cl PI-46048 [0,1,0,0,1,0|1,1,0]=4 463 B10R1.28 C[Si](C)(C1=CC=CC=C1)F PI-23923 [0,1,0,0,1,0|1,1,0]=4 464 B10R1.28 FC(F)(F)c1ccccc1 PI-34216 [0,1,0,0,1,0|2,0,0]=4 465 B10R1.61 C1=CC=C(C(=C1)C(=O)N)Br PI-20527 [0,1,0,0,1,0|1,0,1]=4 466 B10R1.61 C1=CC=C(C(=C1)C(=O)N)Cl PI-23128 [0,1,0,0,1,0|1,0,1]=4 467 B10R1.61 C1=CC=C(C(=C1)C(=O)N)F PI-27598 [0,1,0,0,1,0|1,0,1]=4 468 B10R1.61 C1=CC=C(C(=C1)C(=S)N)N PI-17294 [0,1,0,0,1,0|1,0,1]=4 469 B10R1.61 C1=CC=C(C(=C1)C(Cl)Cl)F PI-19438 [0,1,0,0,1,0|2,0,0]=4 470 B10R1.61 CC(=O)C1=CC=CC=C1Br PI-12211 [0,1,0,0,1,0|1,0,1]=4 471 B10R1.61 CC(=O)C1=CC=CC=C1Cl PI-11622 [0,1,0,0,1,0|1,0,1]=4 472 B10R1.61 CC(=O)C1=CC=CC=C1F PI-16975 [0,1,0,0,1,0|1,0,1]=4 473 B10R1.61 CC(=O)C1=CC=CC=C1N PI-29399 [0,1,0,0,1,0|1,0,1]=4 474 B10R1.61 CC(=O)c1ccccc1I PI-29345 [0,1,0,0,1,0|1,0,1]=4 475 B10R1.61 CC(=O)c1ccccc1N PI-11796 [0,1,0,0,1,0|1,0,1]=4 476 B10R1.61 CC(C)c1ccccc1S PI-17353 [0,1,0,0,1,0|1,0,0]=3 477 B10R1.61 CC(C1=CC=CC=C1Cl)O PI-32584 [0,1,0,0,1,0|1,0,0]=3 478 B10R1.61 CC(C1=CC=CC=C1F)O PI-32582 [0,1,0,0,1,0|1,0,0]=3 479 B10R1.61 CC(O)C1=CC=CC=C1N PI-46775 [0,1,0,0,1,0|1,0,0]=3 480 B10R1.61 CC(c1ccccc1Br)C PI-21543 [0,1,0,0,1,0|1,0,0]=3 481 B10R1.61 CC1=CC=CC=C1C(=O)C PI-12963 [0,1,0,0,1,0|1,0,1]=4 482 B10R1.61 C[C@@H](C1=CC=CC=C1Br)O PI-50016 [0,1,0,0,1,0|1,0,0]=3 483 B10R1.61 C[C@@H](C1=CC=CC=C1F)O PI-50014 [0,1,0,0,1,0|1,0,0]=3 484 B10R1.61 C[C@H](C1=CC=CC=C1Br)O PI-50015 [0,1,0,0,1,0|1,0,0]=3 485 B10R1.61 C[C@H](C1=CC=CC=C1F)O PI-50013 [0,1,0,0,1,0|1,0,0]=3 486 B10R1.61 FC(F)c1ccccc1Br PI-21634 [0,1,0,0,1,0|2,0,0]=4 487 B10R1.61 NC(=S)c1ccccc1Br PI-22612 [0,1,0,0,1,0|1,0,1]=4 488 B10R1.61 NC(C1=CC=CC=C1O)=S PI-20875 [0,1,0,0,1,0|1,0,1]=4 489 B10R1.113 Brc1cccc(c1)C(=N)N PI-30204 [0,1,0,0,1,0|1,0,1]=4 490 B10R1.113 Brc1cccc(c1)C(N)C PI-34608 [0,1,0,0,1,0|0,0,0]=2 491 B10R1.113 Brc1cccc(c1)[C@@H](N)C PI-34607 [0,1,0,0,1,0|0,0,0]=2 492 B10R1.113 C1=CC(=CC(=C1)Br)C(=S)N PI-22613 [0,1,0,0,1,0|1,0,1]=4 493 B10R1.113 C1=CC(=CC(=C1)Br)C(F)F PI-21635 [0,1,0,0,1,0|2,0,0]=4 494 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)N PI-23129 [0,1,0,0,1,0|1,0,1]=4 495 B10R1.113 C1=CC(=CC(=C1)Cl)C(=S)N PI-15665 [0,1,0,0,1,0|1,0,1]=4 496 B10R1.113 C1=CC(=CC(=C1)Cl)C(Cl)Cl PI-19154 [0,1,0,0,1,0|2,0,0]=4 497 B10R1.113 C1=CC(=CC(=C1)F)C(Cl)Cl PI-19546 [0,1,0,0,1,0|2,0,0]=4 498 B10R1.113 CC(=O)C1=CC(=CC=C1)I PI-29141 [0,1,0,0,1,0|1,0,1]=4 499 B10R1.113 CC(C)C1=NC(=CC=C1)Cl PI-31678 [0,1,0,0,1,0|2,0,0]=4 500 B10R1.113 CC(C1=CC(=CC=C1)Br)O PI-19679 [0,1,0,0,1,0|1,0,0]=3 501 B10R1.113 CC(C1=CC(=CC=C1)Cl)O PI-32583 [0,1,0,0,1,0|1,0,0]=3 502 B10R1.113 CC(C1=CC(=CC=C1)F)N PI-34605 [0,1,0,0,1,0|0,0,0]=2 503 B10R1.113 CC(C1=CC(=CC=C1)F)N PI-34606 [0,1,0,0,1,0|0,0,0]=2 504 B10R1.113 CC(C1=CC(=CC=C1)F)O PI-32581 [0,1,0,0,1,0|1,0,0]=3 505 B10R1.113 CC1=CC(=CC=C1)C(=N)N PI-30283 [0,1,0,0,1,0|1,0,1]=4 506 B10R1.113 CC1=CC(=CC=C1)C(=O)C PI-10859 [0,1,0,0,1,0|1,0,1]=4 507 B10R1.113 CC1=CC(=CC=C1)N(C)N PI-29882 [0,1,0,0,1,0|1,0,0]=3 508 B10R1.113 CC1=CC(=CC=C1)[C@@H](C)O PI-49835 [0,1,0,0,1,0|1,0,0]=3 509 B10R1.113 C[C@@H](C1=CC(=CC=C1)Br)O PI-49804 [0,1,0,0,1,0|1,0,0]=3 510 B10R1.113 C[C@@H](O)C1=CC=CC(Br)=C1 PI-37056 [0,1,0,0,1,0|1,0,0]=3 511 B10R1.113 Clc1cccc(c1)[C@@H](N)C PI-34603 [0,1,0,0,1,0|0,0,0]=2 512 B10R1.113 Clc1cccc(c1)[C@H](N)C PI-34604 [0,1,0,0,1,0|0,0,0]=2 513 B10R1.113 Fc1cccc(c1)C(=O)C PI-28549 [0,1,0,0,1,0|1,0,1]=4 514 B10R1.113 NC(C1=CC=CC(O)=C1)=S PI-20876 [0,1,0,0,1,0|1,0,1]=4 515 B10R1.113 Nc1cccc(c1)C(=O)C PI-32567 [0,1,0,0,1,0|1,0,1]=4 516 B10R1.113 Nc1cccc(c1)C(=O)N PI-30514 [0,1,0,0,1,0|1,0,1]=4 517 B10R1.113 Nc1cccc(c1)N(C)C PI-30522 [0,1,0,0,1,0|2,0,0]=4 518 B10R1.113 Oc1cccc(c1)C(=O)C PI-31363 [0,1,0,0,1,0|1,0,1]=4 519 B10R1.113 Oc1cccc(c1)C(=O)N PI-30785 [0,1,0,0,1,0|1,0,1]=4 520 B10R1.113 S=C(N)C1=CC=CC(C)=C1 PI-19344 [0,1,0,0,1,0|1,0,1]=4 521 B10R1.113 Sc1cccc(c1)N(C)C PI-23411 [0,1,0,0,1,0|2,0,0]=4 522 B12R1.21 CC(=O)CSC1=CC=C(C=C1)Cl PI-30390 [0,1,0,0,0,1|1,0,1]=4 523 B12R1.21 CC(CCC1=CC=C(O)C=C1)=O PI-37298 [0,1,0,0,0,1|1,0,1]=4 524 B12R1.21 CN(C)CCC1=CC=C(C=C1)O PI-20840 [0,1,0,0,0,1|2,0,0]=4 525 B12R1.21 CN(C)CCC1=CC=C(C=C1)O PI-21785 [0,1,0,0,0,1|2,0,0]=4 526 B12R1.21 C[C@H](CCc1ccc(cc1)O)O PI-38464 [0,1,0,0,0,1|1,0,0]=3 527 B12R1.27 C1=CC=C(C=C1)CCC(=O)NN PI-50331 [0,1,0,0,0,1|1,0,1]=4 528 B12R1.27 C1=CC=C(C=C1)CNC(=O)CCl PI-49782 [0,1,0,0,0,1|1,0,1]=4 529 B12R1.27 C1=CC=C(C=C1)COC(=O)CBr PI-32119 [0,1,0,0,0,1|1,0,1]=4 530 B12R1.27 C1=CC=C(C=C1)COC(=O)CO PI-48132 [0,1,0,0,0,1|1,0,1]=4 531 B12R1.27 C1=CC=C(C=C1)COC(=O)NN PI-13115 [0,1,0,0,0,1|1,0,1]=4 532 B12R1.27 C1=CC=C(C=C1)OCC(=O)NN PI-50252 [0,1,0,0,0,1|1,0,1]=4 533 B12R1.27 C1=CC=C(C=C1)OCC(CO)O PI-33776 [0,1,0,0,0,1|1,0,0]=3 534 B12R1.27 CCC(=O)CCC1=CC=CC=C1 PI-33801 [0,1,0,0,0,1|1,0,1]=4 535 B12R1.27 CNC(=S)NCC1=CC=CC=C1 PI-28336 [0,1,0,0,0,1|1,0,1]=4 536 B12R1.27 COC(=O)CSC1=CC=CC=C1 PI-24151 [0,1,0,0,0,1|1,0,1]=4 537 B12R1.27 C[C@@H](NCC1=CC=CC=C1)CO PI-36948 [0,1,0,0,0,1|1,0,0]=3 538 B12R1.27 NCC(=O)OCc1ccccc1 PI-12180 [0,1,0,0,0,1|1,0,1]=4 539 B12R1.27 NCC(=O)OCc1ccccc1 PI-12746 [0,1,0,0,0,1|1,0,1]=4 540 B12R1.27 ONC(=O)OCc1ccccc1 PI-38635 [0,1,0,0,0,1|1,0,1]=4 541 B12R1.43 C1=CC=C(C=C1)CC(C(=O)N)N PI-41047 [0,1,0,0,0,1|1,0,1]=4 542 B12R1.43 C1=CC=C(C=C1)CC(C(=O)N)N PI-42203 [0,1,0,0,0,1|1,0,1]=4 543 B12R1.107 CC(C)OC(=O)C1=CC=CC=C1 PI-50242 [0,1,0,0,0,1|1,0,1]=4 544 B12R1.107 CC(C1=CC=CC=C1)NC(=O)C PI-26590 [0,1,0,0,0,1|1,0,1]=4 545 B12R1.107 CC(N[C@H](C1=CC=CC=C1)C)=O PI-26251 [0,1,0,0,0,1|1,0,1]=4 546 B12R1.107 CN(C)C[C@H](C1=CC=CC=C1)O PI-50017 [0,1,0,0,0,1|2,0,0]=4 547 B12R1.107 C[S+](C)CC(=O)C1=CC=CC=C1 PI-23896 [0,1,0,0,0,1|2,0,0]=4 548 B12R1.107 C[S+](C)CC(=O)C1=CC=CC=C1 PI-23897 [0,1,0,0,0,1|2,0,0]=4 549 B12R1.226 C1=CC(=CC(=C1)Br)CN=C(N)N PI-14387 [0,1,0,0,0,1|1,0,1]=4 550 B12R1.891 C1=CC=C(C=C1)CCC(F)(F)F PI-19167 [0,1,0,0,0,1|2,0,0]=4 551 B12R1.4 CC(C)OC1=CC=C(C=C1)C=O PI-27291 [0,2,0,0,0,0|2,0,0]=4 552 B12R1.4 CC(C)OC1=CC=C(C=C1)NN PI-44104 [0,2,0,0,0,0|2,0,0]=4 553 B12R1.4 CC(CC1=CC=C(C=C1)OC)N PI-49796 [0,2,0,0,0,0|0,0,0]=2 554 B12R1.4 CCc1ccc(cc1)CC(=O)C PI-15443 [0,2,0,0,0,0|1,0,1]=4 555 B12R1.4 COc1ccc(cc1)CC(=O)C PI-12198 [0,2,0,0,0,0|1,0,1]=4 556 B12R1.20 CC(C(=O)C1=CC=C(C=C1)F)Br PI-46942 [0,2,0,0,0,0|1,0,1]=4 557 B12R1.20 CC(C(=O)C1=CC=C(C=C1)F)Cl PI-20114 [0,2,0,0,0,0|1,0,1]=4 558 B12R1.20 CC(C(=O)C1=CC=C(C=C1)O)Br PI-31561 [0,2,0,0,0,0|1,0,1]=4 559 B12R1.20 CC(C)C(=O)C1=CC=C(C=C1)Cl PI-12317 [0,2,0,0,0,0|1,0,1]=4 560 B12R1.20 OC(c1ccc(cc1)Cl)C(N)C PI-10554 [0,2,0,0,0,0|0,0,0]=2 561 B12R1.49 C1=CC(=CC=C1CC(=O)NN)Cl PI-50326 [0,2,0,0,0,0|1,0,1]=4 562 B12R1.49 C1=CC(=CC=C1CC(=O)NN)F PI-50267 [0,2,0,0,0,0|1,0,1]=4 563 B12R1.49 C1=CC(=CC=C1CC(=O)NN)O PI-50261 [0,2,0,0,0,0|1,0,1]=4 564 B12R1.49 CC1=CC=C(C=C1)CC(=O)NN PI-50599 [0,2,0,0,0,0|1,0,1]=4 565 B12R1.49 COC(=O)CC1=CC=C(C=C1)Br PI-50433 [0,2,0,0,0,0|1,0,1]=4 566 B12R1.49 COC(=O)CC1=CC=C(C=C1)Cl PI-13010 [0,2,0,0,0,0|1,0,1]=4 567 B12R1.49 COC(=O)CC1=CC=C(C=C1)F PI-50441 [0,2,0,0,0,0|1,0,1]=4 568 B12R1.49 COC(=O)CC1=CC=C(C=C1)N PI-50506 [0,2,0,0,0,0|1,0,1]=4 569 B12R1.49 COC(=O)CC1=CC=C(C=C1)O PI-11994 [0,2,0,0,0,0|1,0,1]=4 570 B12R1.49 COC(=O)Cc1ccc(cc1)C PI-12770 [0,2,0,0,0,0|1,0,1]=4 571 B12R1.49 O\N=C(\N)/Cc1ccc(Br)cc1 PI-22267 [0,2,0,0,0,0|1,0,1]=4 572 B12R1.106 Fc1ccc(cc1)CS(=O)(=O)C PI-23499 [0,2,0,0,0,0|2,0,0]=4 573 B12R1.34 C1=CC=C(C=C1)C(C(=O)NN)O PI-50234 [0,2,0,0,0,0|1,0,1]=4 574 B12R1.34 CC(C1=CC=CC=C1)C(=O)OC PI-50499 [0,2,0,0,0,0|1,0,1]=4 575 B12R1.34 COC(=O)C(C1=CC=CC=C1)Cl PI-12504 [0,2,0,0,0,0|1,0,1]=4 576 B12R1.34 COC(=O)C(C1=CC=CC=C1)O PI-31834 [0,2,0,0,0,0|1,0,1]=4 577 B12R1.34 COC(=O)C(C1=CC=CC=C1)O PI-31835 [0,2,0,0,0,0|1,0,1]=4 578 B12R1.34 COC(=O)[C@H](c1ccccc1)N PI-13398 [0,2,0,0,0,0|1,0,1]=4 579 B12R1.124 CN(C(=O)C1=CC=CC=C1N)N PI-17045 [0,2,0,0,0,0|1,0,1]=4 580 B12R1.225 CC(C)C(C1=CC(=CC=C1)F)N PI-34609 [0,2,0,0,0,0|1,0,0]=3 581 B12R1.225 CC(C1=CC(=CC=C1)O)N(C)C PI-11648 [0,2,0,0,0,0|2,0,0]=4 582 B12R1.225 CC(C1=CC(=CC=C1)O)N(C)C PI-33405 [0,2,0,0,0,0|2,0,0]=4 583 B12R1.225 CC(C1=CC(=CC=C1)O)N(C)C PI-44342 [0,2,0,0,0,0|2,0,0]=4 584 B12R1.225 CC(C1=CC(=CC=C1)O)N(C)C PI-44343 [0,2,0,0,0,0|2,0,0]=4 585 B12R1.225 Clc1cccc(c1)C(=O)C(C)Br PI-17300 [0,2,0,0,0,0|1,0,1]=4 586 B12R1.253 C1=CC=C(C=C1)C(C(=O)N)(F)F PI-12515 [0,2,0,0,0,0|1,0,1]=4 587 B12R1.564 C1=CC=C(C=C1)[C@@H](C(F)(F)F)O PI-49803 [0,2,0,0,0,0|2,0,0]=4 588 B12R1.564 CC(C)(C(=O)C1=CC=CC=C1)Br PI-22167 [0,2,0,0,0,0|1,0,1]=4 589 B12R1.564 NC(c1ccccc1)C(C)(C)C PI-22696 [0,2,0,0,0,0|1,0,0]=3 590 B12R1.564 O=C(c1ccccc1)C(C)(C)C PI-29981 [0,2,0,0,0,0|1,0,1]=4 591 B12R1.32 CCCC(CC1=CC=CC=C1)=O PI-19824 [0,2,0,0,0,0|1,0,1]=4 592 B12R1.32 CN(CC#C)CC1=CC=CC=C1 PI-28358 [0,2,0,0,0,0|2,0,0]=4 593 B12R1.32 COCC(CC1=CC=CC=C1)N PI-19806 [0,2,0,0,0,0|0,0,0]=2 594 B12R1.50 C1=CC(=CC(=C1)Cl)CC(=O)NN PI-50254 [0,2,0,0,0,0|1,0,1]=4 595 B12R1.50 CC1=CC(=CC=C1)CC(=O)OC PI-50501 [0,2,0,0,0,0|1,0,1]=4 596 B12R1.50 CNC(=O)CC1=CC(=CC=C1)N PI-36757 [0,2,0,0,0,0|1,0,1]=4 597 B12R1.50 COC(=O)CC1=CC(=CC=C1)Br PI-50496 [0,2,0,0,0,0|1,0,1]=4 598 B12R1.50 COC(=O)CC1=CC(=CC=C1)F PI-50484 [0,2,0,0,0,0|1,0,1]=4 599 B12R1.50 COC(=O)CC1=CC(=CC=C1)N PI-50434 [0,2,0,0,0,0|1,0,1]=4 600 B12R1.50 COC(=O)CC1=CC(=CC=C1)N PI-50508 [0,2,0,0,0,0|1,0,1]=4 601 B12R1.50 COC(=O)CC1=CC(=CC=C1)O PI-50436 [0,2,0,0,0,0|1,0,1]=4 602 B12R1.50 COC(=O)Cc1cccc(Cl)c1 PI-30683 [0,2,0,0,0,0|1,0,1]=4 603 B12R1.118 OCC(CO)Cc1ccccc1 PI-24129 [0,2,0,0,0,0|1,0,0]=3 604 B12R1.371 C1=CC=C(C(=C1)CC(=O)NN)Cl PI-50255 [0,2,0,0,0,0|1,0,1]=4 605 B12R1.371 C1=CC=C(C(=C1)CC(=O)NN)F PI-50405 [0,2,0,0,0,0|1,0,1]=4 606 B12R1.371 CC1=CC=CC=C1CC(=O)OC PI-50422 [0,2,0,0,0,0|1,0,1]=4 607 B12R1.371 COC(=O)CC1=CC=CC=C1Cl PI-30731 [0,2,0,0,0,0|1,0,1]=4 608 B12R1.371 COC(=O)CC1=CC=CC=C1F PI-30730 [0,2,0,0,0,0|1,0,1]=4 609 B12R1.371 COC(=O)CC1=CC=CC=C1O PI-50540 [0,2,0,0,0,0|1,0,1]=4 610 B12R1.371 COC(=O)Cc1ccccc1Br PI-26756 [0,2,0,0,0,0|1,0,1]=4 611 B12R1.75 CC(=O)CC1=CC=CC=C1OC PI-12199 [0,2,0,0,0,0|1,0,1]=4 612 B12R1.75 CC(N)CC1=CC=CC=C1OC PI-46622 [0,2,0,0,0,0|0,0,0]=2 613 B12R1.127 NC1=CC=C(F)C=C1OC(C)C PI-40835 [0,2,0,0,0,0|2,0,0]=4 614 B12R1.151 Fc1ccccc1CS(=O)(=O)C PI-23497 [0,2,0,0,0,0|2,0,0]=4 615 B12R1.1009 C1=CC(=C(C(=C1)Cl)CC(=N)N)Cl PI-21062 [0,2,0,0,0,0|1,0,1]=4 616 B12R1.119 Fc1cccc(c1)CS(=O)(=O)C PI-23498 [0,2,0,0,0,0|2,0,0]=4 617 B10R2.6 C1CC1c2ccccc2 PI-17840 [1,0,0,1,0,0|0,0,0]=2 618 B10R2.6 O1C[C@@H]1c2ccccc2 PI-10841 [1,0,0,1,0,0|1,0,0]=3 619 B10R2.6 O1C[C@H]1c2ccccc2 PI-10838 [1,0,0,1,0,0|1,0,0]=3 620 B10R2.7 C12=C(CNC1)C=CC=C2 PI-41113 [1,0,0,1,0,0|1,0,0]=3 621 B10R2.7 C1=CC=C2C(=C1)C=CN2 PI-44715 [1,0,0,1,0,0|0,0,2]=4 622 B10R2.7 C1CC2=C(C1)N=CC=C2 PI-12954 [1,0,0,1,0,0|1,0,0]=3 623 B10R2.7 C1CNC2=CC=CC=C21 PI-44710 [1,0,0,1,0,0|0,0,0]=2 624 B10R2.7 C1COC2=CC=CC=C21 PI-21250 [1,0,0,1,0,0|1,0,0]=3 625 B10R2.7 c1ccc2c(c1)[nH]cn2 PI-31348 [1,0,0,1,0,0|1,0,1]=4 626 B10R2.7 c1ccc2c(c1)[nH]nc2 PI-31379 [1,0,0,1,0,0|1,0,1]=4 627 B10R2.7 c1cnc2c(c1)CNC2 PI-39410 [1,0,0,1,0,0|2,0,0]=4 628 B10R2.7 c1cnc2c(c1)CNC2 PI-39560 [1,0,0,1,0,0|2,0,0]=4 629 B10R2.320 C1=CC=CC2=C1CC2=O PI-40938 [1,0,0,1,0,0|1,0,1]=4 630 B10R2.320 C1C(C2=CC=CC=C21)Br PI-40935 [1,0,0,1,0,0|1,0,0]=3 631 B12R2.24 C1C(=O)NC2=CC=CC=C2N1 PI-50558 [0,0,0,1,0,1|1,0,1]=4 632 B12R2.24 C1CC2=CC=CC=C2CC1N PI-35442 [0,0,0,1,0,1|0,0,0]=2 633 B12R2.24 C1CC2=CC=CC=C2CC1O PI-18640 [0,0,0,1,0,1|1,0,0]=3 634 B12R2.24 C1CC2=CC=CC=C2C[C@@H]1N PI-48325 [0,0,0,1,0,1|0,0,0]=2 635 B12R2.24 C1CC2=CC=CC=C2C[C@H]1N PI-48324 [0,0,0,1,0,1|0,0,0]=2 636 B12R2.24 CC1CCC2=CC=CC=C2N1 PI-33332 [0,0,0,1,0,1|0,0,0]=2 637 B12R2.24 NC1CNc2ccccc2C1 PI-36230 [0,0,0,1,0,1|0,0,0]=2 638 B12R2.24 O=C1CCc2c(C1)cccc2 PI-18642 [0,0,0,1,0,1|1,0,1]=4 639 B12R2.24 O=C1CCc2c(N1)cccc2 PI-29698 [0,0,0,1,0,1|1,0,1]=4 640 B12R2.24 O=C1CSc2c(N1)cccc2 PI-14812 [0,0,0,1,0,1|1,0,1]=4 641 B12R2.24 O=C1OCc2ccccc2C1 PI-10151 [0,0,0,1,0,1|1,0,1]=4 642 B12R2.92 ClC1(Cl)CC1c2ccccc2 PI-30362 [0,0,0,1,0,1|2,0,0]=4 643 B12R2.2057 C1(NCC2=CC=CC=C2)CC1 PI-19108 [0,0,0,1,0,1|1,0,0]=3 644 B12R2.2057 C1C(O1)COC2=CC=CC=C2 PI-32351 [0,0,0,1,0,1|1,0,0]=3 645 B12R2.2057 C1C(O1)COC2=CC=CC=C2 PI-32352 [0,0,0,1,0,1|1,0,0]=3 646 B12R2.606 C1C(=O)CC2=C1C=CC(=C2)Br PI-32762 [0,1,0,1,0,0|1,0,1]=4 647 B12R2.606 C1C(=O)CC2=C1C=CC(=C2)F PI-32760 [0,1,0,1,0,0|1,0,1]=4 648 B12R2.606 C1C(CC2=C1C=CC(=C2)Br)O PI-42084 [0,1,0,1,0,0|1,0,0]=3 649 B12R2.606 C1C2=C(C=C(C=C2)F)NC1=O PI-22722 [0,1,0,1,0,0|1,0,1]=4 650 B12R2.606 C1C2=C(C=C(C=C2)I)NC1=O PI-48996 [0,1,0,1,0,0|1,0,1]=4 651 B12R2.606 C1C2=C(C=CC(=C2)Cl)NC1=O PI-10011 [0,1,0,1,0,0|1,0,1]=4 652 B12R2.606 C1C2=C(C=CC(=C2)I)NC1=O PI-48127 [0,1,0,1,0,0|1,0,1]=4 653 B12R2.606 CC1=CC2=C(C=C1)N=C(N2)C PI-45227 [0,1,0,1,0,0|1,0,1]=4 654 B12R2.606 CC1=CC2=C(C=C1)NC(=C2)C PI-23861 [0,1,0,1,0,0|0,0,2]=4 655 B12R2.606 CC1=CC2=C(N1)C=CC(=C2)Br PI-18077 [0,1,0,1,0,0|0,0,2]=4 656 B12R2.606 CC1=CC2=C(N1)C=CC(=C2)F PI-21877 [0,1,0,1,0,0|0,0,2]=4 657 B12R2.606 CC1=CC2=C(N1)C=CC(=C2)N PI-14108 [0,1,0,1,0,0|0,0,2]=4 658 B12R2.606 CC1=CC2=C(N1)C=CC(=C2)O PI-27141 [0,1,0,1,0,0|0,0,2]=4 659 B12R2.606 CC1=NC2=C(N1)C=C(C=C2)Br PI-45019 [0,1,0,1,0,0|1,0,1]=4 660 B12R2.606 CC1=NC2=C(N1)C=C(C=C2)Cl PI-32334 [0,1,0,1,0,0|1,0,1]=4 661 B12R2.606 CC1=NC2=C(N1)C=C(C=C2)F PI-45214 [0,1,0,1,0,0|1,0,1]=4 662 B12R2.606 CC1=NC2=C(N1)C=C(C=C2)I PI-48362 [0,1,0,1,0,0|1,0,1]=4 663 B12R2.606 CC=1NC2=C(C1)C=CC(=C2)Br PI-46796 [0,1,0,1,0,0|0,0,2]=4 664 B12R2.606 Clc1ccc2[nH]c(C)cc2c1 PI-27064 [0,1,0,1,0,0|0,0,2]=4 665 B12R2.606 NC1CC2=C(C=C(Br)C=C2)C1 PI-42264 [0,1,0,1,0,0|0,0,0]=2 666 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)C1 PI-32761 [0,1,0,1,0,0|1,0,1]=4 667 B12R2.606 O=C1Cc2c(N1)cc(cc2)Br PI-14491 [0,1,0,1,0,0|1,0,1]=4 668 B12R2.606 O=C1Cc2ccc(Cl)cc2N1 PI-10012 [0,1,0,1,0,0|1,0,1]=4 669 B12R2.606 O=C1Nc2c(C1)cc(cc2)Br PI-31105 [0,1,0,1,0,0|1,0,1]=4 670 B12R2.606 O=C1Nc2c(C1)cc(cc2)F PI-22697 [0,1,0,1,0,0|1,0,1]=4 671 B12R2.606 O=C1Nc2c(C1)cc(cc2)N PI-10591 [0,1,0,1,0,0|1,0,1]=4 672 B12R2.606 O=C1Nc2c(C1)cc(cc2)O PI-11085 [0,1,0,1,0,0|1,0,1]=4 673 B12R2.18 C1C(C(=O)C2=CC=CC=C21)Br PI-30227 [0,1,0,1,0,0|1,0,1]=4 674 B12R2.18 C1C(C(C2=CC=CC=C21)O)Br PI-14453 [0,1,0,1,0,0|1,0,0]=3 675 B12R2.18 CC1C(NC2=CC=CC=C12)C PI-44123 [0,1,0,1,0,0|0,0,0]=2 676 B12R2.18 CC1N(N)C2=C(C=CC=C2)C1 PI-36643 [0,1,0,1,0,0|0,0,0]=2 677 B12R2.18 CN1C2=CC=CC=C2N=C1N PI-30188 [0,1,0,1,0,0|1,0,1]=4 678 B12R2.18 Cc1[nH]c2ccccc2c1C PI-11086 [0,1,0,1,0,0|0,0,2]=4 679 B12R2.18 Cn1c(C)cc2c1cccc2 PI-11083 [0,1,0,1,0,0|0,0,2]=4 680 B12R2.18 NN1C(C)Cc2ccccc12 PI-16793 [0,1,0,1,0,0|0,0,0]=2 681 B12R2.18 N[C@@H]1[C@H](O)Cc2ccccc12 PI-10570 [0,1,0,1,0,0|1,0,0]=3 682 B12R2.18 N[C@H]1[C@@H](O)Cc2c1cccc2 PI-10847 [0,1,0,1,0,0|1,0,0]=3 683 B12R2.32 C1=CC=C2C(=C1)C=C(N2)CO PI-45001 [0,1,0,1,0,0|0,0,2]=4 684 B12R2.32 C1=CC=C2C(=C1)NC(=N2)CN PI-45223 [0,1,0,1,0,0|1,0,1]=4 685 B12R2.32 C1=CC=C2C(=C1)NC(=N2)CO PI-14787 [0,1,0,1,0,0|1,0,1]=4 686 B12R2.32 C1C(=NO)CC2=CC=CC=C21 PI-13702 [0,1,0,1,0,0|0,0,2]=4 687 B12R2.32 CCC1=CC2=CC=CC=C2C1 PI-29198 [0,1,0,1,0,0|1,0,1]=4 688 B12R2.32 CNC1CC2=CC=CC=C2C1 PI-42263 [0,1,0,1,0,0|0,0,0]=2 689 B12R2.32 ClCC1=NC2=CC=CC=C2N1 PI-16189 [0,1,0,1,0,0|1,0,1]=4 690 B12R2.202 C1C(=O)CC2=C1C=CC=C2Br PI-32756 [0,1,0,1,0,0|1,0,1]=4 691 B12R2.202 C1C(=O)CC2=C1C=CC=C2Cl PI-32755 [0,1,0,1,0,0|1,0,1]=4 692 B12R2.202 C1C2=C(C(=CC=C2)Cl)NC1=O PI-33957 [0,1,0,1,0,0|1,0,1]=4 693 B12R2.202 CC1=CC2=C(N1)C=CC=C2O PI-18492 [0,1,0,1,0,0|0,0,2]=4 694 B12R2.202 CC=1CC2=C(C1)C(=CC=C2)Br PI-40277 [0,1,0,1,0,0|1,0,1]=4 695 B12R2.202 CC=1CC2=C(C1)C=CC=C2Br PI-40278 [0,1,0,1,0,0|1,0,1]=4 696 B12R2.202 O=C1NC2=C(C=CC=C2F)C1 PI-40280 [0,1,0,1,0,0|1,0,1]=4 697 B8R1.8 C1=C(NC=N1)CCN PI-44999 [1,0,0,0,1,0|2,0,0]=4 698 B8R1.8 CCCC1=NC=CN1 PI-24452 [1,0,0,0,1,0|2,0,0]=4 699 B8R1.8 CSCC1=CC=CO1 PI-48491 [1,0,0,0,1,0|2,0,0]=4 700 B8R1.8 NCCc1cccs1 PI-11168 [1,0,0,0,1,0|1,0,0]=3 701 B8R1.8 NCCc1nc[nH]c1 PI-27712 [1,0,0,0,1,0|2,0,0]=4 702 B8R1.8 NCCn1cncc1 PI-36110 [1,0,0,0,1,0|2,0,0]=4 703 B8R1.8 OCCC1=CSC=C1 PI-42380 [1,0,0,0,1,0|2,0,0]=4 704 B8R1.8 OCCc1cccs1 PI-11150 [1,0,0,0,1,0|2,0,0]=4 705 B8R1.7 CC(C1=CC=CS1)O PI-12508 [0,0,0,0,2,0|2,0,0]=4 706 B8R1.7 CC(C1=CC=C[CH-]1)O PI-44457 [0,0,0,0,2,0|1,0,1]=4 707 B8R1.7 CC(N)C1=CC=CS1 PI-40007 [0,0,0,0,2,0|1,0,0]=3 708 B8R1.7 C[C@@H](O)c1cccs1 PI-12507 [0,0,0,0,2,0|2,0,0]=4 709 B12R1.252 CC(=O)CSCC1=CC=CC=C1 PI-12794 [0,0,0,0,0,2|1,0,1]=4 710 B12R1.252 CC(=O)NCCC1=CC=CC=C1 PI-26960 [0,0,0,0,0,2|1,0,1]=4 711 B12R1.252 C[C@@H](O)COCC1=CC=CC=C1 PI-42639 [0,0,0,0,0,2|1,0,0]=3