0 B10R1.18 B(CC1=CC=CC=C1)(O)O PI-49945 [0,0,0,0,0,0|1,0,1]=2 1 B10R1.18 BrC(=Cc1ccccc1)Br PI-35682 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.18 C1=CC(=CN=C1)CC(=O)O PI-13521 [0,0,0,0,0,0|1,0,0]=1 3 B10R1.18 C1=CC(=CN=C1)CC(=O)O PI-16758 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.18 C1=CC=C(C=C1)N=C(N)N PI-11304 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.18 C1=CC=C(C=C1)OC(=O)N PI-10948 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.18 C1=CC=NC(=C1)CC(=O)O PI-16725 [0,0,0,0,0,0|1,0,0]=1 7 B10R1.18 C1=CC=[N+](C=C1)CC(=O)N PI-15939 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.18 C1CCC(=CC1)CC(=O)O PI-46491 [0,0,0,0,0,0|0,0,4]=4 9 B10R1.18 CC(=CC1=CC=CC=C1)C PI-47118 [0,0,0,0,0,0|2,0,1]=3 10 B10R1.18 CC(=O)CC1=CC=NC=C1 PI-24530 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 PI-17935 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 PI-30609 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.18 CC(=O)NC1=NC=CC=N1 PI-44088 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.18 CC(C)NC1=CC=CC=C1 PI-11279 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.18 CC(CC1=NC=CC=C1)=O PI-41787 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.18 CC(Cc1ccccn1)C PI-13337 [0,0,0,0,0,0|3,0,1]=4 17 B10R1.18 ClC(=S)Oc1ccccc1 PI-13044 [0,0,0,0,0,0|2,1,0]=3 18 B10R1.18 NC(=Nc1ccccc1)N PI-20950 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.18 OC(=O)Cc1cccnc1 PI-28588 [0,0,0,0,0,0|1,0,0]=1 20 B10R1.18 OC(=O)Cc1ccncc1 PI-16726 [0,0,0,0,0,0|1,0,0]=1 21 B10R1.18 OC(=O)Cc1cncnc1 PI-32944 [0,0,0,0,0,0|2,0,0]=2 22 B9R1.8 BrC#Cc1ccccc1 PI-38808 [1,0,0,0,0,0|1,0,2]=4 23 B9R1.8 C1=CC(=CN=C1)CCO PI-20772 [1,0,0,0,0,0|1,0,1]=3 24 B9R1.8 C1=CC=C(C=C1)C=CBr PI-12915 [1,0,0,0,0,0|1,0,1]=3 25 B9R1.8 C1=CC=C(C=C1)CCS PI-48520 [1,0,0,0,0,0|0,1,1]=3 26 B9R1.8 C1=CC=C(C=C1)CNN PI-12194 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.8 C1=CC=C(C=C1)CNN PI-12195 [1,0,0,0,0,0|2,0,0]=3 28 B9R1.8 C1=CC=C(C=C1)CON PI-48767 [1,0,0,0,0,0|2,0,0]=3 29 B9R1.8 C1=CC=NC(=C1)CCN PI-33890 [1,0,0,0,0,0|2,0,1]=4 30 B9R1.8 C1=CC=[N+](C=C1)CC#N PI-30212 [1,0,0,0,0,0|2,0,1]=4 31 B9R1.8 C1=CN=CC=C1C=NO PI-41016 [1,0,0,0,0,0|2,0,1]=4 32 B9R1.8 C=CCC1=CC=CC=C1 PI-36465 [1,0,0,0,0,0|1,0,0]=2 33 B9R1.8 CC#CC1=CC=CC=C1 PI-48954 [1,0,0,0,0,0|1,0,2]=4 34 B9R1.8 CCCC1=CC=CC=N1 PI-13326 [1,0,0,0,0,0|2,0,1]=4 35 B9R1.8 CCCC1=CC=NC=C1 PI-28052 [1,0,0,0,0,0|2,0,1]=4 36 B9R1.8 CCC[N+]1=CC=CC=C1 PI-13348 [1,0,0,0,0,0|2,0,1]=4 37 B9R1.8 CNCC1=CC=CN=C1 PI-46624 [1,0,0,0,0,0|3,0,0]=4 38 B9R1.8 COCC1=CC=CC=C1 PI-19695 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.8 COCc1ccccn1 PI-38670 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.8 C\C=C\C1=CC=CC=C1 PI-42685 [1,0,0,0,0,0|1,0,1]=3 41 B9R1.8 C\C=C\C1=CC=CC=C1 PI-46536 [1,0,0,0,0,0|1,0,1]=3 42 B9R1.8 N#CCc1ccccn1 PI-16690 [1,0,0,0,0,0|2,0,1]=4 43 B9R1.8 N#CCc1cccnc1 PI-32834 [1,0,0,0,0,0|2,0,1]=4 44 B9R1.8 N#CCc1ccncc1 PI-10376 [1,0,0,0,0,0|2,0,1]=4 45 B9R1.8 NCCc1cccnc1 PI-23439 [1,0,0,0,0,0|2,0,1]=4 46 B9R1.8 NCCc1ccncc1 PI-15907 [1,0,0,0,0,0|2,0,1]=4 47 B9R1.8 NOCc1ccccc1 PI-11329 [1,0,0,0,0,0|2,0,0]=3 48 B9R1.8 O=C=Nc1cccnc1 PI-38566 [1,0,0,0,0,0|2,0,1]=4 49 B9R1.8 OCCC1=CC=NC=C1 PI-27680 [1,0,0,0,0,0|1,0,1]=3 50 B9R1.8 ONCC1=CC=CC=C1 PI-42266 [1,0,0,0,0,0|1,0,0]=2 51 B9R1.8 O\N=C\c1ccccn1 PI-38007 [1,0,0,0,0,0|2,0,1]=4 52 B11R1.20 C1=C(C=NC(=N1)CC(=O)O)F PI-45132 [0,1,0,0,0,0|2,0,0]=3 53 B11R1.20 C1=CC(=CC=C1CC(=O)Cl)F PI-28554 [0,1,0,0,0,0|1,0,0]=2 54 B11R1.20 C1=CC(=CC=C1CC(=O)N)O PI-16441 [0,1,0,0,0,0|1,0,0]=2 55 B11R1.20 C1=CC(=CC=C1CC(=O)O)Br PI-12711 [0,1,0,0,0,0|0,0,0]=1 56 B11R1.20 C1=CC(=CC=C1CC(=O)O)Cl PI-32618 [0,1,0,0,0,0|0,0,0]=1 57 B11R1.20 C1=CC(=CC=C1CC(=O)O)N PI-25083 [0,1,0,0,0,0|0,0,0]=1 58 B11R1.20 C1=CC(=CC=C1CC(C)=O)F PI-39618 [0,1,0,0,0,0|1,0,0]=2 59 B11R1.20 C1=CC(=CC=C1N)N=C(N)N PI-47263 [0,1,0,0,0,0|3,0,0]=4 60 B11R1.20 C1=CC(=CC=C1N=C(N)N)I PI-47260 [0,1,0,0,0,0|3,0,0]=4 61 B11R1.20 C1=CC(=CC=C1OC(=O)Cl)Cl PI-18893 [0,1,0,0,0,0|2,0,0]=3 62 B11R1.20 C1=CC(=NC=C1CC(=O)O)Cl PI-32201 [0,1,0,0,0,0|1,0,0]=2 63 B11R1.20 CC(=O)Cc1ccc(cc1)Br PI-38548 [0,1,0,0,0,0|1,0,0]=2 64 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 PI-26690 [0,1,0,0,0,0|2,0,0]=3 65 B11R1.20 CC(=O)NC1=CC=C(C=C1)Br PI-24030 [0,1,0,0,0,0|2,0,0]=3 66 B11R1.20 CC(=O)NC1=CC=C(C=C1)F PI-34152 [0,1,0,0,0,0|2,0,0]=3 67 B11R1.20 CC(=O)NC1=CC=C(C=C1)S PI-26064 [0,1,0,0,0,0|2,0,0]=3 68 B11R1.20 CC(=O)NC1=NC=C(C=C1)N PI-14240 [0,1,0,0,0,0|3,0,0]=4 69 B11R1.20 CC(=O)OC1=CC=C(C=C1)F PI-16968 [0,1,0,0,0,0|2,0,0]=3 70 B11R1.20 CC(=O)OC1=CC=C(C=C1)O PI-49042 [0,1,0,0,0,0|2,0,0]=3 71 B11R1.20 CC(=O)Oc1ccc(cc1)Br PI-35155 [0,1,0,0,0,0|2,0,0]=3 72 B11R1.20 CC(=O)SC1=CC=C(C=C1)I PI-35183 [0,1,0,0,0,0|2,0,0]=3 73 B11R1.20 CC(C)CC1=CC=C(C=C1)Br PI-13179 [0,1,0,0,0,0|2,0,1]=4 74 B11R1.20 CC(OC1=CC=C(N)C=C1)=O PI-37062 [0,1,0,0,0,0|2,0,0]=3 75 B11R1.20 CC1=CC=C(C=C1)CC(=O)O PI-30795 [0,1,0,0,0,0|0,0,0]=1 76 B11R1.20 CC1=CC=C(C=C1)NC(=O)N PI-24527 [0,1,0,0,0,0|2,0,0]=3 77 B11R1.20 CC1=CC=C(C=C1)NC(=S)N PI-24528 [0,1,0,0,0,0|2,1,0]=4 78 B11R1.20 CC1=CN=C(C=C1)CC(=O)O PI-48028 [0,1,0,0,0,0|1,0,0]=2 79 B11R1.20 ClC(=O)Cc1ccc(Br)cc1 PI-22240 [0,1,0,0,0,0|1,0,0]=2 80 B11R1.20 ClC(=O)Cc1ccc(C)cc1 PI-24891 [0,1,0,0,0,0|1,0,0]=2 81 B11R1.20 ClC(=S)Oc1ccc(C)cc1 PI-24674 [0,1,0,0,0,0|2,1,0]=4 82 B11R1.20 NC(=S)Nc1ccc(cc1)Br PI-22567 [0,1,0,0,0,0|2,1,0]=4 83 B11R1.20 NC(=S)Nc1ccc(cc1)Cl PI-30541 [0,1,0,0,0,0|2,1,0]=4 84 B11R1.20 NC(=S)Nc1ccc(cc1)O PI-20852 [0,1,0,0,0,0|2,1,0]=4 85 B11R1.20 OC(=O)Cc1ccc(F)cc1 PI-16969 [0,1,0,0,0,0|0,0,0]=1 86 B11R1.20 OC(=O)Cc1ccc(I)cc1 PI-30230 [0,1,0,0,0,0|0,0,0]=1 87 B11R1.20 OC(=O)Cc1ccc(O)cc1 PI-11992 [0,1,0,0,0,0|0,0,0]=1 88 B11R1.20 OC(=O)Cc1ccc(S)cc1 PI-30560 [0,1,0,0,0,0|0,0,0]=1 89 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)Br PI-12709 [0,1,0,0,0,0|0,0,0]=1 90 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)N PI-18442 [0,1,0,0,0,0|0,0,0]=1 91 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O PI-33913 [0,1,0,0,0,0|0,0,0]=1 92 B11R1.36 C1=CN=CC=C1C(C(=O)O)N PI-36241 [0,1,0,0,0,0|1,0,0]=2 93 B11R1.36 C1C=CCC(=C1)C(C(=O)O)N PI-28324 [0,1,0,0,0,0|0,0,2]=3 94 B11R1.36 C=C(C1=CC=CC=C1)C(=O)O PI-11241 [0,1,0,0,0,0|0,0,1]=2 95 B11R1.36 CC(C(=O)O)c1ccccc1 PI-11879 [0,1,0,0,0,0|0,0,0]=1 96 B11R1.36 CC(C1=CC=CC=C1)C(=O)O PI-10358 [0,1,0,0,0,0|0,0,0]=1 97 B11R1.36 CN(C1=CC=CC=C1)C(=S)Cl PI-24196 [0,1,0,0,0,0|2,1,0]=4 98 B11R1.36 C[C@@H](c1ccccc1)C(=O)O PI-10357 [0,1,0,0,0,0|0,0,0]=1 99 B11R1.36 FC(C(=O)O)c1ccccc1 PI-30175 [0,1,0,0,0,0|0,0,0]=1 100 B11R1.36 N[C@@H](c1ccccc1)C(=O)N PI-37984 [0,1,0,0,0,0|1,0,0]=2 101 B11R1.36 O=C(C(=O)C)c1ccccc1 PI-32566 [0,1,0,0,0,0|1,0,1]=3 102 B11R1.36 O=C(C(=O)O)c1ccccc1 PI-30769 [0,1,0,0,0,0|0,0,1]=2 103 B11R1.36 O[C@@H](C(=O)O)c1ccccc1 PI-10352 [0,1,0,0,0,0|0,0,0]=1 104 B11R1.36 O[C@@H](c1ccccc1)C(=O)O PI-10351 [0,1,0,0,0,0|0,0,0]=1 105 B11R1.40 C1=CC=C(C=C1)C=C(C=O)Br PI-12957 [0,1,0,0,0,0|1,0,1]=3 106 B11R1.40 C1=CC=C(C=C1)CC(=O)NN PI-30983 [0,1,0,0,0,0|1,0,0]=2 107 B11R1.40 C1=CC=C(C=C1)CC(CN)N PI-19951 [0,1,0,0,0,0|2,0,1]=4 108 B11R1.40 C1=CC=C(C=C1)NC(=S)NN PI-29671 [0,1,0,0,0,0|2,1,0]=4 109 B11R1.40 C=CC(OC1=CC=CC=C1)=O PI-41188 [0,1,0,0,0,0|2,0,0]=3 110 B11R1.40 CCC(=O)CC1=CC=CC=C1 PI-47129 [0,1,0,0,0,0|1,0,0]=2 111 B11R1.40 CNC(=S)Nc1ccccc1 PI-24288 [0,1,0,0,0,0|2,1,0]=4 112 B11R1.40 CNC(=S)Nc1ccccc1 PI-30591 [0,1,0,0,0,0|2,1,0]=4 113 B11R1.40 COC(=O)CC1=CC=CC=N1 PI-48279 [0,1,0,0,0,0|1,0,0]=2 114 B11R1.40 COC(=O)CC1=NC=CN=C1 PI-29522 [0,1,0,0,0,0|2,0,0]=3 115 B11R1.40 ClCC(=O)Nc1ccccc1 PI-15656 [0,1,0,0,0,0|2,0,0]=3 116 B11R1.40 O=C(OC)CC1=NC=CC=N1 PI-46781 [0,1,0,0,0,0|2,0,0]=3 117 B11R1.40 OC[C@@H](Cc1ccccc1)N PI-16474 [0,1,0,0,0,0|1,0,1]=3 118 B11R1.40 OC[C@H](Cc1ccccc1)N PI-16635 [0,1,0,0,0,0|1,0,1]=3 119 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)Br PI-14498 [0,1,0,0,0,0|0,0,0]=1 120 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)O PI-10304 [0,1,0,0,0,0|0,0,0]=1 121 B11R1.86 CC(=O)Cc1ccccc1F PI-38595 [0,1,0,0,0,0|1,0,0]=2 122 B11R1.86 CC(=O)NC1=CC=CC=C1Br PI-50525 [0,1,0,0,0,0|2,0,0]=3 123 B11R1.86 CC(=O)NC1=CC=CC=C1F PI-34151 [0,1,0,0,0,0|2,0,0]=3 124 B11R1.86 CC(=O)NC1=CC=CC=C1O PI-11773 [0,1,0,0,0,0|2,0,0]=3 125 B11R1.86 CC(=O)Nc1ccccc1N PI-39094 [0,1,0,0,0,0|2,0,0]=3 126 B11R1.86 CC(=O)OC1=CC=CC=C1Cl PI-10924 [0,1,0,0,0,0|2,0,0]=3 127 B11R1.86 CC1=CC=CC=C1N=C(N)N PI-47265 [0,1,0,0,0,0|3,0,0]=4 128 B11R1.86 CC1=CC=CC=C1NC(=S)N PI-24519 [0,1,0,0,0,0|2,1,0]=4 129 B11R1.86 ClC(=O)Cc1ccccc1C PI-24889 [0,1,0,0,0,0|1,0,0]=2 130 B11R1.86 NC(=S)Nc1ccccc1Br PI-22565 [0,1,0,0,0,0|2,1,0]=4 131 B11R1.86 NC(=S)Nc1ccccc1F PI-29832 [0,1,0,0,0,0|2,1,0]=4 132 B11R1.86 OC(=O)Cc1ccccc1C PI-30825 [0,1,0,0,0,0|0,0,0]=1 133 B11R1.86 OC(=O)Cc1ccccc1Cl PI-11828 [0,1,0,0,0,0|0,0,0]=1 134 B11R1.86 OC(=O)Cc1ccccc1F PI-16981 [0,1,0,0,0,0|0,0,0]=1 135 B11R1.86 OC(=O)Cc1ccccc1I PI-12208 [0,1,0,0,0,0|0,0,0]=1 136 B11R1.157 C1=CC(=CC(=C1)Br)CC(=O)O PI-22281 [0,1,0,0,0,0|0,0,0]=1 137 B11R1.157 C1=CC(=CC(=C1)Cl)CC(=O)O PI-16021 [0,1,0,0,0,0|0,0,0]=1 138 B11R1.157 C1=CC(=CC(=C1)Cl)N=C(N)N PI-47259 [0,1,0,0,0,0|3,0,0]=4 139 B11R1.157 C1=CC(=CC(=C1)I)CC(=O)O PI-30249 [0,1,0,0,0,0|0,0,0]=1 140 B11R1.157 CC(=O)Cc1cccc(c1)Br PI-38558 [0,1,0,0,0,0|1,0,0]=2 141 B11R1.157 CC(=O)NC1=CC(=CC=C1)Br PI-50520 [0,1,0,0,0,0|2,0,0]=3 142 B11R1.157 CC(=O)NC1=CC(=CC=C1)F PI-23433 [0,1,0,0,0,0|2,0,0]=3 143 B11R1.157 CC(=O)NC1=CC=CC(=C1)N PI-17432 [0,1,0,0,0,0|2,0,0]=3 144 B11R1.157 CC(=O)OC1=CC(=CC=C1)F PI-26855 [0,1,0,0,0,0|2,0,0]=3 145 B11R1.157 CC1=CC(=CC=C1)NC(=S)N PI-24525 [0,1,0,0,0,0|2,1,0]=4 146 B11R1.157 CC1=NC(=CC=C1)NC(=O)C PI-46994 [0,1,0,0,0,0|3,0,0]=4 147 B11R1.157 CN(C)CC1=CC(=CC=C1)Br PI-47270 [0,1,0,0,0,0|3,0,0]=4 148 B11R1.157 NC(=S)Nc1cccc(c1)Br PI-22566 [0,1,0,0,0,0|2,1,0]=4 149 B11R1.157 NC(=S)Nc1cccc(c1)Cl PI-40813 [0,1,0,0,0,0|2,1,0]=4 150 B11R1.157 OC(=O)Cc1cccc(c1)F PI-16930 [0,1,0,0,0,0|0,0,0]=1 151 B11R1.157 OC(=O)Cc1cccc(c1)N PI-31063 [0,1,0,0,0,0|0,0,0]=1 152 B11R1.157 OC(=O)Cc1cccc(c1)O PI-11931 [0,1,0,0,0,0|0,0,0]=1 153 B11R1.509 C1=CC=C(C=C1)OP(=O)(Cl)Cl PI-44900 [0,1,0,0,0,0|3,0,0]=4 154 B11R1.509 C1=CC=C(C=C1)OP(=O)(Cl)Cl PI-44923 [0,1,0,0,0,0|3,0,0]=4 155 B11R1.509 C1=CC=C(C=C1)OP(=O)(N)N PI-30898 [0,1,0,0,0,0|3,0,0]=4 156 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 PI-28365 [0,1,0,0,0,0|1,0,1]=3 157 B11R1.509 CS(=O)(=O)NC1=CC=CC=C1 PI-13514 [0,1,0,0,0,0|2,0,1]=4 158 B11R1.509 CS(=O)(=O)OC1=CC=CC=C1 PI-12785 [0,1,0,0,0,0|2,0,1]=4 159 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 PI-20351 [0,1,0,0,0,0|3,0,0]=4 160 B11R1.509 ClS(=O)(=O)Cc1ccccc1 PI-30257 [0,1,0,0,0,0|1,0,1]=3 161 B11R1.509 NS(=O)(=O)Cc1ccccc1 PI-30638 [0,1,0,0,0,0|1,0,1]=3 162 B11R1.509 OP(=O)(Cc1ccccc1)O PI-30850 [0,1,0,0,0,0|1,0,0]=2 163 B11R2.4 N[C@H]1C[C@@H]1c2ccccc2 PI-25120 [0,0,0,1,0,0|2,0,1]=4 164 B11R2.10 BrB1Oc2c(O1)cccc2 PI-38370 [0,0,0,1,0,0|3,0,0]=4 165 B11R2.10 C1=CC2=C(NC(=O)O2)N=C1 PI-13499 [0,0,0,1,0,0|2,0,0]=3 166 B11R2.10 C1=CC=C2C(=C1)C=C(O2)Br PI-45424 [0,0,0,1,0,0|1,0,1]=3 167 B11R2.10 C1=CC=C2C(=C1)C=C(S2)Br PI-40410 [0,0,0,1,0,0|1,1,1]=4 168 B11R2.10 C1=CC=C2C(=C1)N=C(S2)Cl PI-15671 [0,0,0,1,0,0|2,1,0]=4 169 B11R2.10 C1=CC=C2C(=C1)N=C(S2)F PI-23463 [0,0,0,1,0,0|2,1,0]=4 170 B11R2.10 C1=CC=C2C(=C1)N=C(S2)N PI-45314 [0,0,0,1,0,0|2,1,0]=4 171 B11R2.10 C1=CC=C2C(=C1)NC(=S)N2 PI-13021 [0,0,0,1,0,0|2,1,0]=4 172 B11R2.10 C1=CC=C2C(=C1)NC(=S)O2 PI-32430 [0,0,0,1,0,0|1,1,0]=3 173 B11R2.10 C1=CN=CC2=C1NC(=O)N2 PI-47254 [0,0,0,1,0,0|3,0,0]=4 174 B11R2.10 C1C(=O)CC2=CC=CC=C21 PI-11611 [0,0,0,1,0,0|1,0,0]=2 175 B11R2.10 C1C(CC2=CC=CC=C21)O PI-11612 [0,0,0,1,0,0|1,0,1]=3 176 B11R2.10 C1C2=CC=CC=C2C=C1Br PI-24035 [0,0,0,1,0,0|2,0,0]=3 177 B11R2.10 CC1=CC2=CC=CC=C2C1 PI-30321 [0,0,0,1,0,0|2,0,0]=3 178 B11R2.10 CC1=CC2=CC=CC=C2N1 PI-31662 [0,0,0,1,0,0|2,0,1]=4 179 B11R2.10 CC1=CC2=CC=CC=C2S1 PI-29081 [0,0,0,1,0,0|1,1,1]=4 180 B11R2.10 CC1=NC2=CC=CC=C2N1 PI-11865 [0,0,0,1,0,0|3,0,0]=4 181 B11R2.10 CC1=NC2=CC=CC=C2O1 PI-11866 [0,0,0,1,0,0|2,0,0]=3 182 B11R2.10 CC1CC2=CC=CC=C2O1 PI-17206 [0,0,0,1,0,0|1,0,1]=3 183 B11R2.10 CC1NC2=C(C=CC=C2)C1 PI-11338 [0,0,0,1,0,0|2,0,1]=4 184 B11R2.10 ClB1Oc2c(O1)cccc2 PI-38371 [0,0,0,1,0,0|3,0,0]=4 185 B11R2.10 Clc1nc2c([nH]1)cccc2 PI-31005 [0,0,0,1,0,0|3,0,0]=4 186 B11R2.10 Clc1nc2ccccc2o1 PI-33937 [0,0,0,1,0,0|2,0,0]=3 187 B11R2.10 Ic1cc2c(s1)cccc2 PI-38228 [0,0,0,1,0,0|1,1,1]=4 188 B11R2.10 NC1CC2=C(C=CC=C2)C1 PI-37165 [0,0,0,1,0,0|2,0,1]=4 189 B11R2.10 Nc1nc2c(s1)cccc2 PI-31667 [0,0,0,1,0,0|2,1,0]=4 190 B11R2.10 Nc1nc2ccccc2[nH]1 PI-31350 [0,0,0,1,0,0|3,0,0]=4 191 B11R2.10 Nc1nc2ccccc2o1 PI-17283 [0,0,0,1,0,0|2,0,0]=3 192 B11R2.10 O=C1Cc2c(N1)cccc2 PI-11084 [0,0,0,1,0,0|1,0,0]=2 193 B11R2.10 O=C1Cc2ccccc2O1 PI-18682 [0,0,0,1,0,0|0,0,0]=1 194 B11R2.10 O=c1oc2ccccc2[nH]1 PI-11480 [0,0,0,1,0,0|1,0,0]=2 195 B11R2.10 O=c1sc2ccccc2[nH]1 PI-12052 [0,0,0,1,0,0|1,1,0]=3 196 B11R2.10 Oc1nc2ccccc2[nH]1 PI-16421 [0,0,0,1,0,0|2,0,0]=3 197 B11R2.10 Sc1nc2c(s1)cccc2 PI-33935 [0,0,0,1,0,0|1,2,0]=4 198 B9R1.6 B(C1=CN=CC=C1)(O)O PI-13311 [0,0,0,0,1,0|2,0,1]=4 199 B9R1.6 C1=C(C=NC=N1)C(=O)O PI-21348 [0,0,0,0,1,0|2,0,0]=3 200 B9R1.6 C1=CC(=CN=C1)C(=O)Cl PI-18307 [0,0,0,0,1,0|2,0,0]=3 201 B9R1.6 C1=CC(=CN=C1)C(=O)N PI-14591 [0,0,0,0,1,0|2,0,0]=3 202 B9R1.6 C1=CC(=CN=C1)C(=S)N PI-41116 [0,0,0,0,1,0|2,1,0]=4 203 B9R1.6 C1=CC(=NN=C1)C(=O)Cl PI-48417 [0,0,0,0,1,0|3,0,0]=4 204 B9R1.6 C1=CC=C(C=C1)C(=O)Br PI-46923 [0,0,0,0,1,0|1,0,0]=2 205 B9R1.6 C1=CC=NC(=C1)C(=O)Cl PI-36884 [0,0,0,0,1,0|2,0,0]=3 206 B9R1.6 C1=CC=NC(=C1)C(=O)O PI-44932 [0,0,0,0,1,0|1,0,0]=2 207 B9R1.6 C1=CN=CC=C1C(=N)N PI-17542 [0,0,0,0,1,0|3,0,0]=4 208 B9R1.6 C1=CN=CC=C1C(=N)N PI-36524 [0,0,0,0,1,0|3,0,0]=4 209 B9R1.6 C1=CN=CC=C1C(=O)Cl PI-29544 [0,0,0,0,1,0|2,0,0]=3 210 B9R1.6 C1=CN=CC=C1C(=O)N PI-46036 [0,0,0,0,1,0|2,0,0]=3 211 B9R1.6 C1=CN=CC=C1C(=S)N PI-41117 [0,0,0,0,1,0|2,1,0]=4 212 B9R1.6 C1=CN=NC=C1C(=O)O PI-32630 [0,0,0,0,1,0|2,0,0]=3 213 B9R1.6 C1=NC=CN=C1C(O)=O PI-14238 [0,0,0,0,1,0|2,0,0]=3 214 B9R1.6 CC(=O)C1=CC=CC=N1 PI-48516 [0,0,0,0,1,0|2,0,0]=3 215 B9R1.6 CC(=O)C1=CN=CN=C1 PI-40256 [0,0,0,0,1,0|3,0,0]=4 216 B9R1.6 CC(=O)C1=NC=CC=N1 PI-42079 [0,0,0,0,1,0|3,0,0]=4 217 B9R1.6 CC(=O)C1=NC=CN=C1 PI-16283 [0,0,0,0,1,0|3,0,0]=4 218 B9R1.6 CC(=O)c1cccnc1 PI-32250 [0,0,0,0,1,0|2,0,0]=3 219 B9R1.6 CC(=O)c1ccncc1 PI-38297 [0,0,0,0,1,0|2,0,0]=3 220 B9R1.6 CC(C1=CC=CC=C1)N PI-32638 [0,0,0,0,1,0|2,0,1]=4 221 B9R1.6 CN(C1=CC=CC=C1)N PI-29778 [0,0,0,0,1,0|3,0,0]=4 222 B9R1.6 C[C@@H](C1=CC=CC=C1)O PI-50011 [0,0,0,0,1,0|1,0,1]=3 223 B9R1.6 C[C@@H](C1=CC=NC=C1)O PI-49831 [0,0,0,0,1,0|2,0,1]=4 224 B9R1.6 C[C@@H](O)C1=NC=CC=C1 PI-42552 [0,0,0,0,1,0|2,0,1]=4 225 B9R1.6 C[C@@H](c1ccccc1)N PI-11219 [0,0,0,0,1,0|2,0,1]=4 226 B9R1.6 C[C@H](C1=CC=NC=C1)O PI-49830 [0,0,0,0,1,0|2,0,1]=4 227 B9R1.6 C[C@H](O)C1=NC=CC=C1 PI-42531 [0,0,0,0,1,0|2,0,1]=4 228 B9R1.6 C[C@H](c1ccccc1)N PI-11221 [0,0,0,0,1,0|2,0,1]=4 229 B9R1.6 C[C@H](c1ccccc1)O PI-38963 [0,0,0,0,1,0|1,0,1]=3 230 B9R1.6 C[SiH](c1ccccc1)C PI-39122 [0,0,0,0,1,0|2,1,0]=4 231 B9R1.6 N1=C(N=CC=C1)C(=O)O PI-36489 [0,0,0,0,1,0|2,0,0]=3 232 B9R1.6 N=C(C1=CC=CN=C1)N PI-36525 [0,0,0,0,1,0|3,0,0]=4 233 B9R1.6 N=C(N)C1=CN=CC=C1 PI-30891 [0,0,0,0,1,0|3,0,0]=4 234 B9R1.6 NC(=N)c1ccccc1 PI-30200 [0,0,0,0,1,0|2,0,0]=3 235 B9R1.6 NC(=N)c1ccccn1 PI-30669 [0,0,0,0,1,0|3,0,0]=4 236 B9R1.6 NC(=O)c1cccnc1 PI-12870 [0,0,0,0,1,0|2,0,0]=3 237 B9R1.6 NC(=S)c1ccccc1 PI-29356 [0,0,0,0,1,0|1,1,0]=3 238 B9R1.6 O=[N+](C1=CC=NC=C1)[O-] PI-46824 [0,0,0,0,1,0|2,0,1]=4 239 B9R1.6 OB(O)c1ccccc1 PI-16480 [0,0,0,0,1,0|1,0,1]=3 240 B9R1.6 OB(c1ccccn1)O PI-25302 [0,0,0,0,1,0|2,0,1]=4 241 B9R1.6 OB(c1ccncc1)O PI-16484 [0,0,0,0,1,0|2,0,1]=4 242 B9R1.6 OC(=O)c1cccnc1 PI-15824 [0,0,0,0,1,0|1,0,0]=2 243 B9R1.6 OC(=O)c1ccncn1 PI-32629 [0,0,0,0,1,0|2,0,0]=3 244 B9R1.6 [O-]C(=O)c1ccccn1 PI-27190 [0,0,0,0,1,0|1,0,1]=3 245 B9R1.13 C1=CN(C=N1)CC(=O)O PI-10326 [0,0,0,0,1,0|2,0,0]=3 246 B9R1.13 C1=CN(C=N1)CC(=O)O PI-11655 [0,0,0,0,1,0|2,0,0]=3 247 B9R1.13 C1=CN(N=C1)CC(=O)O PI-35655 [0,0,0,0,1,0|2,0,0]=3 248 B9R1.13 C1=COC=C1CC(=O)O PI-36295 [0,0,0,0,1,0|1,0,0]=2 249 B9R1.13 C1=CSC(=C1)CC(=O)Cl PI-11881 [0,0,0,0,1,0|2,0,0]=3 250 B9R1.13 CC(=O)NC1=CC=CS1 PI-12512 [0,0,0,0,1,0|3,0,0]=4 251 B9R1.13 OC(=O)CC1=CC=C[CH-]1 PI-40764 [0,0,0,0,1,0|0,0,1]=2 252 B9R1.13 OC(=O)Cc1c[nH]cn1 PI-21909 [0,0,0,0,1,0|2,0,0]=3 253 B9R1.13 OC(=O)Cc1cccs1 PI-11148 [0,0,0,0,1,0|1,0,0]=2 254 B9R1.13 OC(=O)Cc1cscc1 PI-15240 [0,0,0,0,1,0|1,0,0]=2 255 B11R1.91 C1=CC=C(C=C1)C=CC(=O)[O-] PI-12955 [0,0,0,0,0,1|0,0,2]=3 256 B11R1.91 C1=CC=C(C=C1)CCC(=O)Cl PI-11944 [0,0,0,0,0,1|1,0,0]=2 257 B11R1.91 C1=CC=C(C=C1)NCC(=O)O PI-14870 [0,0,0,0,0,1|0,0,0]=1 258 B11R1.91 C1=CC=C(C=C1)OCC(=O)O PI-32615 [0,0,0,0,0,1|0,0,0]=1 259 B11R1.91 C1=CC=C(C=C1)OCC(=O)[O-] PI-50538 [0,0,0,0,0,1|0,0,1]=2 260 B11R1.91 C1=CN=C(N=C1)SCC(=O)O PI-21347 [0,0,0,0,0,1|2,0,0]=3 261 B11R1.91 C1=CN=CC=C1SCC(=O)Cl PI-45977 [0,0,0,0,0,1|2,0,0]=3 262 B11R1.91 CC(=NNC1=CC=CC=C1)C PI-44567 [0,0,0,0,0,1|3,0,0]=4 263 B11R1.91 CC(=O)NNc1ccccc1 PI-32317 [0,0,0,0,0,1|2,0,0]=3 264 B11R1.91 CC(CCC1=CC=CC=C1)N PI-33450 [0,0,0,0,0,1|2,0,1]=4 265 B11R1.91 C[C@@H](CCC1=CC=CC=C1)O PI-49833 [0,0,0,0,0,1|1,0,1]=3 266 B11R1.91 C[C@H](CCC1=CC=CC=C1)O PI-49832 [0,0,0,0,0,1|1,0,1]=3 267 B11R1.91 NC(=O)\C=C\c1ccccc1 PI-30792 [0,0,0,0,0,1|1,0,1]=3 268 B11R1.91 NC(=S)NCc1ccccc1 PI-20347 [0,0,0,0,0,1|1,1,0]=3 269 B11R1.91 OB(O)CCc1ccccc1 PI-25460 [0,0,0,0,0,1|1,0,1]=3 270 B11R1.91 OB(\C=C\c1ccccc1)O PI-25014 [0,0,0,0,0,1|1,0,2]=4 271 B11R1.91 OC(=O)C#Cc1ccccc1 PI-28707 [0,0,0,0,0,1|0,0,1]=2 272 B11R1.91 OC(=O)\C=C\c1ccccn1 PI-28790 [0,0,0,0,0,1|1,0,1]=3 273 B11R1.91 OC(=O)\C=C\c1cccnc1 PI-28055 [0,0,0,0,0,1|1,0,1]=3 274 B11R1.91 OC(=O)\C=C\c1ccncc1 PI-31341 [0,0,0,0,0,1|1,0,1]=3 275 B11R1.91 [O-]C(=O)CNc1ccccc1 PI-17946 [0,0,0,0,0,1|0,0,1]=2 276 B11R1.91 [O-][N+](=O)CCc1ccccc1 PI-35182 [0,0,0,0,0,1|1,0,1]=3 277 B11R1.91 [O-][N+](=O)\C=C\c1ccccc1 PI-36903 [0,0,0,0,0,1|1,0,2]=4 278 B8R1.2 BrCC1=CC=CC=C1 PI-36476 [2,0,0,0,0,0|1,0,0]=3 279 B8R1.2 C#CC1=CC=CC=C1 PI-48958 [2,0,0,0,0,0|0,0,2]=4 280 B8R1.2 C1=C(C=NC=N1)CO PI-32945 [2,0,0,0,0,0|2,0,0]=4 281 B8R1.2 C1=CC(=CN=C1)CCl PI-16717 [2,0,0,0,0,0|2,0,0]=4 282 B8R1.2 C1=CN=C(N=C1)C=O PI-32954 [2,0,0,0,0,0|2,0,0]=4 283 B8R1.2 C1=CN=C(N=C1)CO PI-35153 [2,0,0,0,0,0|2,0,0]=4 284 B8R1.2 C1=CN=CC=C1CCl PI-31734 [2,0,0,0,0,0|2,0,0]=4 285 B8R1.2 C1=CN=CC=C1CO PI-16744 [2,0,0,0,0,0|1,0,0]=3 286 B8R1.2 C1=CN=CN=C1C=O PI-34868 [2,0,0,0,0,0|2,0,0]=4 287 B8R1.2 C1=CN=CN=C1CO PI-35498 [2,0,0,0,0,0|2,0,0]=4 288 B8R1.2 CCC1=CC=CC=N1 PI-49466 [2,0,0,0,0,0|1,0,1]=4 289 B8R1.2 CC[N+]1=CC=CC=C1 PI-13342 [2,0,0,0,0,0|1,0,1]=4 290 B8R1.2 CC[N+]1=CC=CC=C1 PI-13347 [2,0,0,0,0,0|1,0,1]=4 291 B8R1.2 ClCC1=NC=CC=C1 PI-11827 [2,0,0,0,0,0|2,0,0]=4 292 B8R1.2 ClCc1ccccn1 PI-16716 [2,0,0,0,0,0|2,0,0]=4 293 B8R1.2 NCC1=CC=CC=C1 PI-37209 [2,0,0,0,0,0|1,0,0]=3 294 B8R1.2 NCC1=CC=NC=C1 PI-41875 [2,0,0,0,0,0|2,0,0]=4 295 B8R1.2 NCc1ccccn1 PI-33905 [2,0,0,0,0,0|2,0,0]=4 296 B8R1.2 NCc1cccnc1 PI-15236 [2,0,0,0,0,0|2,0,0]=4 297 B8R1.2 NCc1ccncc1 PI-31790 [2,0,0,0,0,0|2,0,0]=4 298 B8R1.2 NNC1=CC=CC=C1 PI-41551 [2,0,0,0,0,0|2,0,0]=4 299 B8R1.2 O=Cc1ccccn1 PI-33895 [2,0,0,0,0,0|1,0,0]=3 300 B8R1.2 O=Cc1cccnc1 PI-33908 [2,0,0,0,0,0|1,0,0]=3 301 B8R1.2 O=Cc1ccncc1 PI-13140 [2,0,0,0,0,0|1,0,0]=3 302 B8R1.2 OCC1=CC=CN=C1 PI-11019 [2,0,0,0,0,0|1,0,0]=3 303 B8R1.2 OCC1=NC=CC=C1 PI-16261 [2,0,0,0,0,0|1,0,0]=3 304 B8R1.2 OCc1ccncc1 PI-16686 [2,0,0,0,0,0|1,0,0]=3 305 B8R1.2 ONc1ccccc1 PI-38448 [2,0,0,0,0,0|1,0,0]=3 306 B8R1.2 [C-]#CC1=CC=CC=C1 PI-48435 [2,0,0,0,0,0|0,0,2]=4 307 B10R1.1 BrCCc1ccc(Br)cc1 PI-19204 [1,1,0,0,0,0|1,0,1]=4 308 B10R1.1 BrCCc1ccc(C)cc1 PI-21425 [1,1,0,0,0,0|1,0,1]=4 309 B10R1.1 BrCCc1ccc(Cl)cc1 PI-21415 [1,1,0,0,0,0|1,0,1]=4 310 B10R1.1 BrCCc1ccc(F)cc1 PI-21419 [1,1,0,0,0,0|1,0,1]=4 311 B10R1.1 BrCCc1ccc(cc1)O PI-19128 [1,1,0,0,0,0|1,0,1]=4 312 B10R1.1 C1=CC(=CC=C1C=NO)Cl PI-27545 [1,1,0,0,0,0|1,0,1]=4 313 B10R1.1 C1=CC(=CC=C1C=NO)F PI-23440 [1,1,0,0,0,0|1,0,1]=4 314 B10R1.1 C1=CC(=CC=C1CC#N)Br PI-14499 [1,1,0,0,0,0|1,0,1]=4 315 B10R1.1 C1=CC(=CC=C1CC#N)F PI-16868 [1,1,0,0,0,0|1,0,1]=4 316 B10R1.1 C1=CC(=CC=C1CC#N)N PI-30515 [1,1,0,0,0,0|1,0,1]=4 317 B10R1.1 C1=CC(=CC=C1CCCl)F PI-20050 [1,1,0,0,0,0|1,0,1]=4 318 B10R1.1 C1=CC(=CC=C1CCN)F PI-33070 [1,1,0,0,0,0|1,0,1]=4 319 B10R1.1 C1=CC(=CC=C1CCO)Br PI-44966 [1,1,0,0,0,0|0,0,1]=3 320 B10R1.1 C1=CC(=CC=C1CCO)Cl PI-46018 [1,1,0,0,0,0|0,0,1]=3 321 B10R1.1 C1=CC(=CC=C1CCO)N PI-10092 [1,1,0,0,0,0|0,0,1]=3 322 B10R1.1 C1=CC(=CC=C1CCO)O PI-29634 [1,1,0,0,0,0|0,0,1]=3 323 B10R1.1 C1=CC(=CC=C1N=C=O)F PI-19081 [1,1,0,0,0,0|1,0,1]=4 324 B10R1.1 CCCC1=CC=C(C=C1)Br PI-16232 [1,1,0,0,0,0|1,0,1]=4 325 B10R1.1 CCCC1=CC=C(C=C1)I PI-19089 [1,1,0,0,0,0|1,0,1]=4 326 B10R1.1 CCCC1=CC=C(C=C1)O PI-16209 [1,1,0,0,0,0|1,0,1]=4 327 B10R1.1 CNCC1=CC=C(C=C1)N PI-30552 [1,1,0,0,0,0|2,0,0]=4 328 B10R1.1 N#CCC1=CC=C(O)C=C1 PI-11988 [1,1,0,0,0,0|1,0,1]=4 329 B10R1.1 N#CCc1ccc(cc1)C PI-12004 [1,1,0,0,0,0|1,0,1]=4 330 B10R1.1 NCCC1=CC=C(Br)C=C1 PI-15694 [1,1,0,0,0,0|1,0,1]=4 331 B10R1.1 NCCc1ccc(Br)cc1 PI-22229 [1,1,0,0,0,0|1,0,1]=4 332 B10R1.1 NCCc1ccc(O)cc1 PI-16006 [1,1,0,0,0,0|1,0,1]=4 333 B10R1.1 NCCc1ccc(O)cc1 PI-16007 [1,1,0,0,0,0|1,0,1]=4 334 B10R1.1 NCCc1ccc(cc1)N PI-10153 [1,1,0,0,0,0|1,0,1]=4 335 B10R1.1 O=C=Nc1ccc(cc1)C PI-11411 [1,1,0,0,0,0|1,0,1]=4 336 B10R1.1 O=C=Nc1ccc(cc1)Cl PI-11417 [1,1,0,0,0,0|1,0,1]=4 337 B10R1.1 OCCc1ccc(F)cc1 PI-28804 [1,1,0,0,0,0|0,0,1]=3 338 B10R1.1 [C-]#[N+]CC1=CC=C(C=C1)Cl PI-23615 [1,1,0,0,0,0|2,0,0]=4 339 B10R1.4 BrCCc1ccccc1C PI-21423 [1,1,0,0,0,0|1,0,1]=4 340 B10R1.4 BrCCc1ccccc1Cl PI-21413 [1,1,0,0,0,0|1,0,1]=4 341 B10R1.4 BrCCc1ccccc1F PI-34239 [1,1,0,0,0,0|1,0,1]=4 342 B10R1.4 C1=CC=C(C(=C1)C=NO)Br PI-27497 [1,1,0,0,0,0|1,0,1]=4 343 B10R1.4 C1=CC=C(C(=C1)C=NO)Cl PI-23126 [1,1,0,0,0,0|1,0,1]=4 344 B10R1.4 C1=CC=C(C(=C1)CC#N)Br PI-22282 [1,1,0,0,0,0|1,0,1]=4 345 B10R1.4 C1=CC=C(C(=C1)CC#N)F PI-16866 [1,1,0,0,0,0|1,0,1]=4 346 B10R1.4 C1=CC=C(C(=C1)CCO)F PI-23810 [1,1,0,0,0,0|0,0,1]=3 347 B10R1.4 C1=CC=C(C(=C1)CNN)F PI-50605 [1,1,0,0,0,0|2,0,0]=4 348 B10R1.4 C1=CC=C(C(=C1)N=C=O)Br PI-14503 [1,1,0,0,0,0|1,0,1]=4 349 B10R1.4 C1=CC=C(C(=C1)N=C=O)Cl PI-11418 [1,1,0,0,0,0|1,0,1]=4 350 B10R1.4 C=CCC1=CC=CC=C1O PI-46039 [1,1,0,0,0,0|1,0,0]=3 351 B10R1.4 CC1=CC=CC=C1N=C=O PI-11410 [1,1,0,0,0,0|1,0,1]=4 352 B10R1.4 N#CCc1ccccc1Cl PI-11829 [1,1,0,0,0,0|1,0,1]=4 353 B10R1.4 N#CCc1ccccc1N PI-16130 [1,1,0,0,0,0|1,0,1]=4 354 B10R1.4 NCCc1ccccc1Br PI-39292 [1,1,0,0,0,0|1,0,1]=4 355 B10R1.4 NCCc1ccccc1Cl PI-20209 [1,1,0,0,0,0|1,0,1]=4 356 B10R1.4 NCCc1ccccc1F PI-38584 [1,1,0,0,0,0|1,0,1]=4 357 B10R1.4 NOCc1ccccc1Cl PI-39246 [1,1,0,0,0,0|2,0,0]=4 358 B10R1.4 O=C=Nc1ccccc1F PI-26192 [1,1,0,0,0,0|1,0,1]=4 359 B10R1.4 [C-]#[N+]Cc1ccccc1Cl PI-23174 [1,1,0,0,0,0|2,0,0]=4 360 B10R1.10 BrCCc1cccc(C)c1 PI-21424 [1,1,0,0,0,0|1,0,1]=4 361 B10R1.10 BrCCc1cccc(Cl)c1 PI-21414 [1,1,0,0,0,0|1,0,1]=4 362 B10R1.10 C1=CC(=CC(=C1)Br)C=NO PI-27659 [1,1,0,0,0,0|1,0,1]=4 363 B10R1.10 C1=CC(=CC(=C1)Br)CCN PI-48226 [1,1,0,0,0,0|1,0,1]=4 364 B10R1.10 C1=CC(=CC(=C1)Cl)C=NO PI-27977 [1,1,0,0,0,0|1,0,1]=4 365 B10R1.10 C1=CC(=CC(=C1)F)CCBr PI-23811 [1,1,0,0,0,0|1,0,1]=4 366 B10R1.10 C1=CC(=CC(=C1)F)N=C=O PI-19552 [1,1,0,0,0,0|1,0,1]=4 367 B10R1.10 C1=CC(=CC(=C1)O)CCN PI-12399 [1,1,0,0,0,0|1,0,1]=4 368 B10R1.10 C1=CC(=CC(=C1)O)CCO PI-48194 [1,1,0,0,0,0|0,0,1]=3 369 B10R1.10 CC1=CC(=CC=C1)N=C=O PI-50375 [1,1,0,0,0,0|1,0,1]=4 370 B10R1.10 N#CCc1cccc(Cl)c1 PI-11917 [1,1,0,0,0,0|1,0,1]=4 371 B10R1.10 N#CCc1cccc(F)c1 PI-16867 [1,1,0,0,0,0|1,0,1]=4 372 B10R1.10 N#CCc1cccc(c1)Br PI-11912 [1,1,0,0,0,0|1,0,1]=4 373 B10R1.10 NCCc1cccc(c1)F PI-33071 [1,1,0,0,0,0|1,0,1]=4 374 B10R1.10 OCCc1cccc(c1)Cl PI-38594 [1,1,0,0,0,0|0,0,1]=3 375 B10R1.10 [C-]#[N+]Cc1cccc(c1)Cl PI-23614 [1,1,0,0,0,0|2,0,0]=4 376 B10R1.15 C1=CC=C(C=C1)C(=O)C=O PI-30054 [1,1,0,0,0,0|0,0,1]=3 377 B10R1.15 C1=CC=C(C=C1)C(=O)NO PI-10934 [1,1,0,0,0,0|1,0,1]=4 378 B10R1.15 C1=CC=C(C=C1)C(C#N)O PI-38881 [1,1,0,0,0,0|1,0,1]=4 379 B10R1.15 C1=CC=C(C=C1)C(CCl)O PI-42549 [1,1,0,0,0,0|1,0,1]=4 380 B10R1.15 C1=CC=C(C=C1)C(CCl)O PI-42550 [1,1,0,0,0,0|1,0,1]=4 381 B10R1.15 C1=CC=C(C=C1)C(CN)O PI-30384 [1,1,0,0,0,0|1,0,1]=4 382 B10R1.15 C1=CC=C(C=C1)C(CO)O PI-19178 [1,1,0,0,0,0|0,0,1]=3 383 B10R1.15 CC(=NO)C1=CC=CC=C1 PI-29764 [1,1,0,0,0,0|1,0,1]=4 384 B10R1.15 CC(C1=CC=CC=C1)NC PI-26776 [1,1,0,0,0,0|2,0,0]=4 385 B10R1.15 CC(CN)C1=CC=CC=C1 PI-10356 [1,1,0,0,0,0|1,0,1]=4 386 B10R1.15 CCC(C1=CC=CC=C1)N PI-16663 [1,1,0,0,0,0|1,0,1]=4 387 B10R1.15 CCC(O)c1ccccc1 PI-31770 [1,1,0,0,0,0|1,0,1]=4 388 B10R1.15 CC[C@@H](C1=CC=CC=C1)O PI-49816 [1,1,0,0,0,0|1,0,1]=4 389 B10R1.15 CC[C@@H](c1ccccc1)N PI-16662 [1,1,0,0,0,0|1,0,1]=4 390 B10R1.15 CC[C@H](C1=CC=CC=C1)O PI-49815 [1,1,0,0,0,0|1,0,1]=4 391 B10R1.15 C[C@H](CN)c1ccccc1 PI-10355 [1,1,0,0,0,0|1,0,1]=4 392 B10R1.15 NCC(O)c1ccccc1 PI-17268 [1,1,0,0,0,0|1,0,1]=4 393 B10R1.15 NC[C@H](c1ccccc1)O PI-30721 [1,1,0,0,0,0|1,0,1]=4 394 B10R1.15 OC(C1=CC=CC=C1)CO PI-39570 [1,1,0,0,0,0|0,0,1]=3 395 B10R1.15 OCC(=O)c1ccccc1 PI-11851 [1,1,0,0,0,0|0,0,2]=4 396 B10R1.15 OC[C@@H](N)c1ccccc1 PI-16634 [1,1,0,0,0,0|0,0,1]=3 397 B10R1.15 OC[C@@H](c1ccccc1)N PI-16633 [1,1,0,0,0,0|0,0,1]=3 398 B10R1.15 OC[C@H](c1ccccc1)O PI-17035 [1,1,0,0,0,0|0,0,1]=3 399 B10R1.15 O\N=C(/c1ccccc1)\Cl PI-23127 [1,1,0,0,0,0|1,0,1]=4 400 B10R1.15 O\N=C(\c1ccccc1)/N PI-14770 [1,1,0,0,0,0|1,0,1]=4 401 B10R1.17 C1=CC(=CN=C1)CCCO PI-33814 [1,1,0,0,0,0|1,0,1]=4 402 B10R1.17 C1=CC=C(C=C1)C#CCO PI-48957 [1,1,0,0,0,0|0,0,2]=4 403 B10R1.17 C1=CC=C(C=C1)CN=C=S PI-28698 [1,1,0,0,0,0|0,1,1]=4 404 B10R1.17 C1=CC=C(C=C1)COCCl PI-28438 [1,1,0,0,0,0|1,0,1]=4 405 B10R1.17 C1=CC=C(C=C1)NNC=O PI-29787 [1,1,0,0,0,0|1,0,0]=3 406 B10R1.17 C1=CC=C(C=C1)OCCBr PI-31495 [1,1,0,0,0,0|1,0,1]=4 407 B10R1.17 C1=CC=C(C=C1)OCCCl PI-12172 [1,1,0,0,0,0|1,0,1]=4 408 B10R1.17 C1=CC=C(C=C1)OCCN PI-12173 [1,1,0,0,0,0|1,0,1]=4 409 B10R1.17 C1=CC=C(C=C1)\C=C\CBr PI-46926 [1,1,0,0,0,0|1,0,1]=4 410 B10R1.17 C=CCOc1ccccc1 PI-36466 [1,1,0,0,0,0|1,0,0]=3 411 B10R1.17 CCCSC1=CC=CC=C1 PI-19961 [1,1,0,0,0,0|1,0,1]=4 412 B10R1.17 ClCCCc1ccccc1 PI-33374 [1,1,0,0,0,0|1,0,1]=4 413 B10R1.17 ClCSCc1ccccc1 PI-19537 [1,1,0,0,0,0|1,0,1]=4 414 B10R1.17 N#CSCc1ccccc1 PI-32979 [1,1,0,0,0,0|1,0,1]=4 415 B10R1.17 N#C\C=C\c1ccccc1 PI-12934 [1,1,0,0,0,0|1,0,1]=4 416 B10R1.17 NCCCc1ccccc1 PI-11351 [1,1,0,0,0,0|1,0,1]=4 417 B10R1.17 O=CC#Cc1ccccc1 PI-33868 [1,1,0,0,0,0|0,0,1]=3 418 B10R1.17 OCCCc1ccccn1 PI-33813 [1,1,0,0,0,0|1,0,1]=4 419 B10R1.17 OCCCc1ccncc1 PI-31736 [1,1,0,0,0,0|1,0,1]=4 420 B10R1.17 [NH-]=[N+]=NCc1ccccc1 PI-14174 [1,1,0,0,0,0|2,0,0]=4 421 B10R1.13 B(C1=CC=C(C=C1)N)(O)O PI-25845 [0,1,0,0,1,0|1,0,1]=4 422 B10R1.13 B(C1=CC=C(C=C1)O)(O)O PI-25808 [0,1,0,0,1,0|1,0,1]=4 423 B10R1.13 B(C1=CC=C(C=C1)S)(O)O PI-33001 [0,1,0,0,1,0|1,0,1]=4 424 B10R1.13 Brc1ccc(cc1)B(O)O PI-25661 [0,1,0,0,1,0|1,0,1]=4 425 B10R1.13 Brc1ccc(cc1)C(=O)O PI-27741 [0,1,0,0,1,0|0,0,0]=2 426 B10R1.13 Brc1ccc(cc1)S(=O)[O-] PI-30223 [0,1,0,0,1,0|1,0,1]=4 427 B10R1.13 Brc1ccc(cc1)[N+](=O)[O-] PI-30746 [0,1,0,0,1,0|1,0,1]=4 428 B10R1.13 Brc1ccc(cn1)C(=O)O PI-10090 [0,1,0,0,1,0|1,0,0]=3 429 B10R1.13 Brc1ccc(nc1)C(=O)O PI-10180 [0,1,0,0,1,0|1,0,0]=3 430 B10R1.13 C1=C(C(=N)N)C=CC(=C1)F PI-38824 [0,1,0,0,1,0|2,0,0]=4 431 B10R1.13 C1=C(C=NC(=N1)C(=O)O)Br PI-32859 [0,1,0,0,1,0|2,0,0]=4 432 B10R1.13 C1=CC(=CC=C1C(=N)N)Cl PI-23130 [0,1,0,0,1,0|2,0,0]=4 433 B10R1.13 C1=CC(=CC=C1C(=N)N)Cl PI-36543 [0,1,0,0,1,0|2,0,0]=4 434 B10R1.13 C1=CC(=CC=C1C(=N)N)N PI-10167 [0,1,0,0,1,0|2,0,0]=4 435 B10R1.13 C1=CC(=CC=C1C(=N)N)N PI-30927 [0,1,0,0,1,0|2,0,0]=4 436 B10R1.13 C1=CC(=CC=C1C(=O)Cl)F PI-11984 [0,1,0,0,1,0|1,0,0]=3 437 B10R1.13 C1=CC(=CC=C1C(=O)N)Cl PI-30790 [0,1,0,0,1,0|1,0,0]=3 438 B10R1.13 C1=CC(=CC=C1C(=O)N)O PI-20729 [0,1,0,0,1,0|1,0,0]=3 439 B10R1.13 C1=CC(=CC=C1C(=O)O)I PI-12206 [0,1,0,0,1,0|0,0,0]=2 440 B10R1.13 C1=CC(=CC=C1C(=O)O)S PI-11996 [0,1,0,0,1,0|0,0,0]=2 441 B10R1.13 C1=CC(=CC=C1C(=O)[O-])F PI-28585 [0,1,0,0,1,0|0,0,1]=3 442 B10R1.13 C1=CC(=CC=C1C(=S)N)Br PI-22614 [0,1,0,0,1,0|1,1,0]=4 443 B10R1.13 C1=CC(=CC=C1C(N)=O)F PI-28843 [0,1,0,0,1,0|1,0,0]=3 444 B10R1.13 C1=CC(=CC=C1F)S(=O)[O-] PI-23445 [0,1,0,0,1,0|1,0,1]=4 445 B10R1.13 C1=CC(=CC=C1N)[N+](=O)[O-] PI-50479 [0,1,0,0,1,0|1,0,1]=4 446 B10R1.13 C1=CC(=CC=C1S(=O)[O-])Cl PI-23131 [0,1,0,0,1,0|1,0,1]=4 447 B10R1.13 C1=CC(=NC=C1C(=O)N)Cl PI-30802 [0,1,0,0,1,0|2,0,0]=4 448 B10R1.13 C1=CC(=NC=C1C(=O)N)N PI-17748 [0,1,0,0,1,0|2,0,0]=4 449 B10R1.13 C1=CC(=NC=C1C(=O)O)Cl PI-31219 [0,1,0,0,1,0|1,0,0]=3 450 B10R1.13 C1=CC(=NC=C1C(=O)O)F PI-16388 [0,1,0,0,1,0|1,0,0]=3 451 B10R1.13 C1=CC(=NC=C1C(=O)O)N PI-10089 [0,1,0,0,1,0|1,0,0]=3 452 B10R1.13 C1=CC(=O)NC=C1C(=O)O PI-10378 [0,1,0,0,1,0|1,0,0]=3 453 B10R1.13 C1=CC(=O)OC=C1C(=O)O PI-31209 [0,1,0,0,1,0|1,0,0]=3 454 B10R1.13 C1=C[N+](=CC=C1C(=O)O)[O-] PI-18162 [0,1,0,0,1,0|1,0,0]=3 455 B10R1.13 CC(=O)C1=CC=C(C=C1)Br PI-44871 [0,1,0,0,1,0|1,0,0]=3 456 B10R1.13 CC(=O)C1=CC=C(C=C1)N PI-29588 [0,1,0,0,1,0|1,0,0]=3 457 B10R1.13 CC(=O)C1=CN=C(C=C1)N PI-34884 [0,1,0,0,1,0|2,0,0]=4 458 B10R1.13 CC(=O)C1=NC=C(C=C1)Br PI-41220 [0,1,0,0,1,0|2,0,0]=4 459 B10R1.13 CC(=O)c1ccc(cc1)I PI-29117 [0,1,0,0,1,0|1,0,0]=3 460 B10R1.13 CC(C1=CC=C(C=C1)Br)O PI-32579 [0,1,0,0,1,0|1,0,1]=4 461 B10R1.13 CC(C1=CC=C(C=C1)N)O PI-11962 [0,1,0,0,1,0|1,0,1]=4 462 B10R1.13 CC(C1=CC=C(O)C=C1)=O PI-37424 [0,1,0,0,1,0|1,0,0]=3 463 B10R1.13 CC(c1ccc(cc1)Cl)O PI-11234 [0,1,0,0,1,0|1,0,1]=4 464 B10R1.13 CC1=CC=C(C=C1)C(=N)N PI-29803 [0,1,0,0,1,0|2,0,0]=4 465 B10R1.13 CC1=CC=C(C=C1)C(=O)C PI-32267 [0,1,0,0,1,0|1,0,0]=3 466 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl PI-34220 [0,1,0,0,1,0|1,0,0]=3 467 B10R1.13 CC1=CC=C(C=C1)C(=S)N PI-30352 [0,1,0,0,1,0|1,1,0]=4 468 B10R1.13 CC1=CC=C(C=C1)C(C)O PI-32578 [0,1,0,0,1,0|1,0,1]=4 469 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O PI-49806 [0,1,0,0,1,0|1,0,1]=4 470 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O PI-49807 [0,1,0,0,1,0|1,0,1]=4 471 B10R1.13 CC1=NC=C(C=C1)C(=O)C PI-34864 [0,1,0,0,1,0|2,0,0]=4 472 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 PI-37362 [0,1,0,0,1,0|1,0,1]=4 473 B10R1.13 C[C@@H](c1ccc(cc1)Cl)O PI-36982 [0,1,0,0,1,0|1,0,1]=4 474 B10R1.13 C[C@H](C1=CC=C(C=C1)O)O PI-49819 [0,1,0,0,1,0|1,0,1]=4 475 B10R1.13 C[C@H](c1ccc(cc1)Cl)O PI-36954 [0,1,0,0,1,0|1,0,1]=4 476 B10R1.13 Cc1ccc(cc1)S(=O)O PI-38460 [0,1,0,0,1,0|1,0,0]=3 477 B10R1.13 Cc1ccc(cn1)C(=O)O PI-16698 [0,1,0,0,1,0|1,0,0]=3 478 B10R1.13 Cc1cnc(cn1)C(=O)O PI-16774 [0,1,0,0,1,0|2,0,0]=4 479 B10R1.13 Cc1ncc(cn1)C(=O)O PI-36501 [0,1,0,0,1,0|2,0,0]=4 480 B10R1.13 ClC(=O)c1ccc(Cl)cc1 PI-34309 [0,1,0,0,1,0|1,0,0]=3 481 B10R1.13 ClC(=O)c1ccc(cc1)Br PI-11966 [0,1,0,0,1,0|1,0,0]=3 482 B10R1.13 ClC(=O)c1ccc(cc1)C PI-32402 [0,1,0,0,1,0|1,0,0]=3 483 B10R1.13 Clc1ccc(cc1)B(O)O PI-10311 [0,1,0,0,1,0|1,0,1]=4 484 B10R1.13 Clc1ccc(cn1)C(=O)Cl PI-12964 [0,1,0,0,1,0|2,0,0]=4 485 B10R1.13 Fc1ccc(cc1)B(O)O PI-31092 [0,1,0,0,1,0|1,0,1]=4 486 B10R1.13 Fc1ccc(cc1)C(=O)O PI-16490 [0,1,0,0,1,0|0,0,0]=2 487 B10R1.13 Fc1ccc(cc1)C(C)O PI-32580 [0,1,0,0,1,0|1,0,1]=4 488 B10R1.13 Fc1ccc(cc1)[N+](=O)[O-] PI-33135 [0,1,0,0,1,0|1,0,1]=4 489 B10R1.13 IC1=CC=C(B(O)O)C=C1 PI-33000 [0,1,0,0,1,0|1,0,1]=4 490 B10R1.13 NC(=N)c1ccc(cc1)Cl PI-30146 [0,1,0,0,1,0|2,0,0]=4 491 B10R1.13 NC(=O)c1ccc(cc1)Br PI-30860 [0,1,0,0,1,0|1,0,0]=3 492 B10R1.13 NC(=S)c1ccc(cc1)Cl PI-30378 [0,1,0,0,1,0|1,1,0]=4 493 B10R1.13 NC(=S)c1ccc(cc1)O PI-20877 [0,1,0,0,1,0|1,1,0]=4 494 B10R1.13 Nc1ccc(cc1)B(O)O PI-31529 [0,1,0,0,1,0|1,0,1]=4 495 B10R1.13 Nc1ccc(cc1)C(=O)N PI-38043 [0,1,0,0,1,0|1,0,0]=3 496 B10R1.13 Nc1ccc(nc1)C(=O)N PI-36522 [0,1,0,0,1,0|2,0,0]=4 497 B10R1.13 Nc1ccc(nc1)C(=O)O PI-10173 [0,1,0,0,1,0|1,0,0]=3 498 B10R1.13 O=C(N)C1=CC=C(I)C=C1 PI-41985 [0,1,0,0,1,0|1,0,0]=3 499 B10R1.13 O=C(N)C1=CN=C(C)C=C1 PI-37349 [0,1,0,0,1,0|2,0,0]=4 500 B10R1.13 O=[S@@](C1=CC=C(C)C=C1)N PI-41430 [0,1,0,0,1,0|2,0,0]=4 501 B10R1.13 O=[S@](C1=CC=C(C)C=C1)N PI-41427 [0,1,0,0,1,0|2,0,0]=4 502 B10R1.13 OB(c1ccc(cc1)C)O PI-35795 [0,1,0,0,1,0|1,0,1]=4 503 B10R1.13 OC(=O)c1ccc(nn1)Cl PI-38350 [0,1,0,0,1,0|2,0,0]=4 504 B10R1.13 OC(=O)c1cnc(cn1)Cl PI-38333 [0,1,0,0,1,0|2,0,0]=4 505 B10R1.13 Oc1ccc(cc1)C(=N)N PI-20730 [0,1,0,0,1,0|2,0,0]=4 506 B10R1.13 Oc1ccc(nn1)C(=O)O PI-14659 [0,1,0,0,1,0|2,0,0]=4 507 B10R1.13 Sc1ccc(cc1)[N+](=O)[O-] PI-21365 [0,1,0,0,1,0|1,0,1]=4 508 B10R1.13 [O-]C1=CC=C([N+]([O-])=O)C=C1 PI-37341 [0,1,0,0,1,0|1,0,1]=4 509 B10R1.28 C1=CC=C(C=C1)S(=O)(=O)[O-] PI-17596 [0,1,0,0,1,0|1,0,1]=4 510 B10R1.28 CC(O)(C1=CC=CC=C1)C PI-37326 [0,1,0,0,1,0|1,0,1]=4 511 B10R1.28 CP(=O)(C1=CC=CC=C1)O PI-30611 [0,1,0,0,1,0|1,0,0]=3 512 B10R1.28 CS(=O)(=O)c1ccccc1 PI-24312 [0,1,0,0,1,0|1,0,1]=4 513 B10R1.28 OS(=O)(=O)c1cccnc1 PI-33168 [0,1,0,0,1,0|2,0,0]=4 514 B10R1.28 OS(=O)(=O)c1ccncc1 PI-40970 [0,1,0,0,1,0|2,0,0]=4 515 B10R1.61 B(C1=CC=CC=C1N)(O)O PI-31530 [0,1,0,0,1,0|1,0,1]=4 516 B10R1.61 C1=C(C(=NC=N1)N)C(=O)O PI-42082 [0,1,0,0,1,0|2,0,0]=4 517 B10R1.61 C1=CC(=C(N=C1)Br)C(=O)N PI-34520 [0,1,0,0,1,0|2,0,0]=4 518 B10R1.61 C1=CC(=C(N=C1)Br)C(=O)O PI-28439 [0,1,0,0,1,0|1,0,0]=3 519 B10R1.61 C1=CC(=C(N=C1)Cl)C(=O)Cl PI-16729 [0,1,0,0,1,0|2,0,0]=4 520 B10R1.61 C1=CC(=C(N=C1)Cl)C(=O)N PI-24027 [0,1,0,0,1,0|2,0,0]=4 521 B10R1.61 C1=CC=C(C(=C1)C(=O)N)Br PI-20527 [0,1,0,0,1,0|1,0,0]=3 522 B10R1.61 C1=CC=C(C(=C1)C(=O)N)Cl PI-23128 [0,1,0,0,1,0|1,0,0]=3 523 B10R1.61 C1=CC=C(C(=C1)C(=O)N)F PI-27598 [0,1,0,0,1,0|1,0,0]=3 524 B10R1.61 C1=CC=C(C(=C1)C(=O)O)I PI-18960 [0,1,0,0,1,0|0,0,0]=2 525 B10R1.61 C1=CC=C(C(=C1)C(=O)O)S PI-40146 [0,1,0,0,1,0|0,0,0]=2 526 B10R1.61 C1=CC=C(C(=C1)C(=O)[O-])F PI-28576 [0,1,0,0,1,0|0,0,1]=3 527 B10R1.61 C1=CC=C(C(=C1)C(=S)N)N PI-17294 [0,1,0,0,1,0|1,1,0]=4 528 B10R1.61 C1=CC=CC(=C1B(O)O)Br PI-39926 [0,1,0,0,1,0|1,0,1]=4 529 B10R1.61 C1=CN=CC(=C1Br)C(=O)O PI-42057 [0,1,0,0,1,0|1,0,0]=3 530 B10R1.61 C1=CN=CC(=C1C(=O)O)F PI-34435 [0,1,0,0,1,0|1,0,0]=3 531 B10R1.61 C1=CN=CC(=C1C(=O)O)N PI-33158 [0,1,0,0,1,0|1,0,0]=3 532 B10R1.61 C1=CNC(=S)C(=C1)C(=O)O PI-16712 [0,1,0,0,1,0|1,0,0]=3 533 B10R1.61 C1=CNC=C(C1=O)C(=O)O PI-32174 [0,1,0,0,1,0|1,0,0]=3 534 B10R1.61 CC(=O)C1=C(C=NC=C1)N PI-48174 [0,1,0,0,1,0|2,0,0]=4 535 B10R1.61 CC(=O)C1=CC=CC=C1Br PI-12211 [0,1,0,0,1,0|1,0,0]=3 536 B10R1.61 CC(=O)C1=CC=CC=C1Cl PI-11622 [0,1,0,0,1,0|1,0,0]=3 537 B10R1.61 CC(=O)C1=CC=CC=C1F PI-16975 [0,1,0,0,1,0|1,0,0]=3 538 B10R1.61 CC(=O)C1=CC=CC=C1N PI-29399 [0,1,0,0,1,0|1,0,0]=3 539 B10R1.61 CC(=O)c1ccccc1I PI-29345 [0,1,0,0,1,0|1,0,0]=3 540 B10R1.61 CC(=O)c1ccccc1N PI-11796 [0,1,0,0,1,0|1,0,0]=3 541 B10R1.61 CC(C1=CC=CC=C1Cl)O PI-32584 [0,1,0,0,1,0|1,0,1]=4 542 B10R1.61 CC(C1=CC=CC=C1F)O PI-32582 [0,1,0,0,1,0|1,0,1]=4 543 B10R1.61 CC(O)C1=CC=CC=C1N PI-46775 [0,1,0,0,1,0|1,0,1]=4 544 B10R1.61 CC1=C(C=CN=C1)C(=O)O PI-48282 [0,1,0,0,1,0|1,0,0]=3 545 B10R1.61 CC1=C(C=NC=C1)C(=O)O PI-48296 [0,1,0,0,1,0|1,0,0]=3 546 B10R1.61 CC1=CC=CC=C1C(=O)C PI-12963 [0,1,0,0,1,0|1,0,0]=3 547 B10R1.61 CC1=CC=CC=C1C(=O)Cl PI-34221 [0,1,0,0,1,0|1,0,0]=3 548 B10R1.61 C[C@@H](C1=CC=CC=C1Br)O PI-50016 [0,1,0,0,1,0|1,0,1]=4 549 B10R1.61 C[C@@H](C1=CC=CC=C1F)O PI-50014 [0,1,0,0,1,0|1,0,1]=4 550 B10R1.61 C[C@H](C1=CC=CC=C1Br)O PI-50015 [0,1,0,0,1,0|1,0,1]=4 551 B10R1.61 C[C@H](C1=CC=CC=C1F)O PI-50013 [0,1,0,0,1,0|1,0,1]=4 552 B10R1.61 ClC(=O)c1ccccc1F PI-11847 [0,1,0,0,1,0|1,0,0]=3 553 B10R1.61 NC(=S)c1ccccc1Br PI-22612 [0,1,0,0,1,0|1,1,0]=4 554 B10R1.61 NC(C1=CC=CC=C1O)=S PI-20875 [0,1,0,0,1,0|1,1,0]=4 555 B10R1.61 O=C(C1=C(Cl)C=NC=C1)O PI-37397 [0,1,0,0,1,0|1,0,0]=3 556 B10R1.61 OB(c1ccccc1C)O PI-10305 [0,1,0,0,1,0|1,0,1]=4 557 B10R1.61 OB(c1ccccc1F)O PI-28003 [0,1,0,0,1,0|1,0,1]=4 558 B10R1.61 OB(c1ccccc1O)O PI-37992 [0,1,0,0,1,0|1,0,1]=4 559 B10R1.61 OC(=O)c1ccccc1F PI-16976 [0,1,0,0,1,0|0,0,0]=2 560 B10R1.61 OC(=O)c1cccnc1Cl PI-31141 [0,1,0,0,1,0|1,0,0]=3 561 B10R1.61 OC(=O)c1cccnc1F PI-16387 [0,1,0,0,1,0|1,0,0]=3 562 B10R1.61 OC(=O)c1cccnc1N PI-31221 [0,1,0,0,1,0|1,0,0]=3 563 B10R1.61 OC(=O)c1cccnc1O PI-16700 [0,1,0,0,1,0|1,0,0]=3 564 B10R1.61 OC(=O)c1ccncc1Br PI-28140 [0,1,0,0,1,0|1,0,0]=3 565 B10R1.61 OC(=O)c1ccncc1I PI-38273 [0,1,0,0,1,0|1,0,0]=3 566 B10R1.61 OC(=O)c1ccncc1N PI-10177 [0,1,0,0,1,0|1,0,0]=3 567 B10R1.61 OC(=O)c1ccncc1O PI-28020 [0,1,0,0,1,0|1,0,0]=3 568 B10R1.61 OC(=O)c1cnccc1Cl PI-24019 [0,1,0,0,1,0|1,0,0]=3 569 B10R1.61 OC(=O)c1cnccc1N PI-10029 [0,1,0,0,1,0|1,0,0]=3 570 B10R1.61 OC(=O)c1ncccc1Br PI-28360 [0,1,0,0,1,0|1,0,0]=3 571 B10R1.61 OC(=O)c1ncccc1Cl PI-34714 [0,1,0,0,1,0|1,0,0]=3 572 B10R1.61 OC(=O)c1ncccc1F PI-34434 [0,1,0,0,1,0|1,0,0]=3 573 B10R1.61 OC(=O)c1ncccc1N PI-14129 [0,1,0,0,1,0|1,0,0]=3 574 B10R1.61 OC(=O)c1ncccc1O PI-16553 [0,1,0,0,1,0|1,0,0]=3 575 B10R1.61 OC(=O)c1nccnc1Cl PI-29423 [0,1,0,0,1,0|2,0,0]=4 576 B10R1.61 OC(=O)c1nccnc1O PI-29323 [0,1,0,0,1,0|2,0,0]=4 577 B10R1.61 SC1=CC=CC=C1B(O)O PI-40744 [0,1,0,0,1,0|1,0,1]=4 578 B10R1.61 [O-][N+](=O)c1ccccc1Cl PI-34106 [0,1,0,0,1,0|1,0,1]=4 579 B10R1.61 [O-][N+](=O)c1ccccc1F PI-33137 [0,1,0,0,1,0|1,0,1]=4 580 B10R1.61 [O-][N+](=O)c1ccccc1S PI-17367 [0,1,0,0,1,0|1,0,1]=4 581 B10R1.113 B(C1=CC(=CC=C1)Br)(O)O PI-25960 [0,1,0,0,1,0|1,0,1]=4 582 B10R1.113 B(C1=CC(=CC=C1)C)(O)O PI-11574 [0,1,0,0,1,0|1,0,1]=4 583 B10R1.113 B(C1=CC(=CC=C1)N)(O)O PI-25874 [0,1,0,0,1,0|1,0,1]=4 584 B10R1.113 B(C1=CC(=CC=C1)N)(O)O PI-30837 [0,1,0,0,1,0|1,0,1]=4 585 B10R1.113 B(C1=CC(=CC=C1)O)(O)O PI-25936 [0,1,0,0,1,0|1,0,1]=4 586 B10R1.113 Brc1cccc(c1)C(=N)N PI-30204 [0,1,0,0,1,0|2,0,0]=4 587 B10R1.113 Brc1cccc(c1)C(=O)Cl PI-11911 [0,1,0,0,1,0|1,0,0]=3 588 B10R1.113 Brc1cccc(c1)C(=O)O PI-12741 [0,1,0,0,1,0|0,0,0]=2 589 B10R1.113 Brc1cccc(c1)[N+](=O)[O-] PI-13640 [0,1,0,0,1,0|1,0,1]=4 590 B10R1.113 Brc1cccc(n1)C(=O)O PI-16042 [0,1,0,0,1,0|1,0,0]=3 591 B10R1.113 Brc1nccc(c1)C(=O)O PI-28742 [0,1,0,0,1,0|1,0,0]=3 592 B10R1.113 C1=C(C=NC=C1Br)C(=O)O PI-22834 [0,1,0,0,1,0|1,0,0]=3 593 B10R1.113 C1=C(C=NC=C1Cl)C(=O)O PI-13096 [0,1,0,0,1,0|1,0,0]=3 594 B10R1.113 C1=C(C=NC=C1F)C(=O)O PI-19548 [0,1,0,0,1,0|1,0,0]=3 595 B10R1.113 C1=C(C=NC=C1N)C(=O)O PI-10028 [0,1,0,0,1,0|1,0,0]=3 596 B10R1.113 C1=CC(=CC(=C1)Br)C(=S)N PI-22613 [0,1,0,0,1,0|1,1,0]=4 597 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)Cl PI-12189 [0,1,0,0,1,0|1,0,0]=3 598 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)N PI-23129 [0,1,0,0,1,0|1,0,0]=3 599 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)O PI-34230 [0,1,0,0,1,0|0,0,0]=2 600 B10R1.113 C1=CC(=CC(=C1)Cl)C(=S)N PI-15665 [0,1,0,0,1,0|1,1,0]=4 601 B10R1.113 C1=CC(=CC(=C1)F)C(=O)Cl PI-12124 [0,1,0,0,1,0|1,0,0]=3 602 B10R1.113 C1=CC(=CC(=C1)F)C(=O)O PI-10427 [0,1,0,0,1,0|0,0,0]=2 603 B10R1.113 C1=CC(=CC(=C1)F)C(=O)[O-] PI-28584 [0,1,0,0,1,0|0,0,1]=3 604 B10R1.113 C1=CC(=C[N+](=C1)[O-])C(=O)N PI-14714 [0,1,0,0,1,0|2,0,0]=4 605 B10R1.113 C1=CC(=NC(=C1)N)C(=O)O PI-24258 [0,1,0,0,1,0|1,0,0]=3 606 B10R1.113 C1=CN=C(C=C1Br)C(=O)O PI-35911 [0,1,0,0,1,0|1,0,0]=3 607 B10R1.113 C1=CN=C(C=C1C(=O)O)Cl PI-16713 [0,1,0,0,1,0|1,0,0]=3 608 B10R1.113 C1=CN=C(C=C1C(=O)O)N PI-28116 [0,1,0,0,1,0|1,0,0]=3 609 B10R1.113 C1=CN=C(C=C1Cl)C(=O)Cl PI-33856 [0,1,0,0,1,0|2,0,0]=4 610 B10R1.113 C1=CN=C(C=C1Cl)C(=O)O PI-34707 [0,1,0,0,1,0|1,0,0]=3 611 B10R1.113 C1=CN=C(N=C1C(=O)O)Cl PI-41170 [0,1,0,0,1,0|2,0,0]=4 612 B10R1.113 C1=CNC(=CC1=O)C(=O)O PI-34877 [0,1,0,0,1,0|1,0,0]=3 613 B10R1.113 C1=CNC(=O)C=C1C(=O)O PI-28282 [0,1,0,0,1,0|1,0,0]=3 614 B10R1.113 CC(=O)C1=CC(=CC=C1)I PI-29141 [0,1,0,0,1,0|1,0,0]=3 615 B10R1.113 CC(=O)C1=CC(=CN=C1)Br PI-26605 [0,1,0,0,1,0|2,0,0]=4 616 B10R1.113 CC(C1=CC(=CC=C1)Br)O PI-19679 [0,1,0,0,1,0|1,0,1]=4 617 B10R1.113 CC(C1=CC(=CC=C1)Cl)O PI-32583 [0,1,0,0,1,0|1,0,1]=4 618 B10R1.113 CC(C1=CC(=CC=C1)F)O PI-32581 [0,1,0,0,1,0|1,0,1]=4 619 B10R1.113 CC1=CC(=CC=C1)C(=N)N PI-30283 [0,1,0,0,1,0|2,0,0]=4 620 B10R1.113 CC1=CC(=CC=C1)C(=O)C PI-10859 [0,1,0,0,1,0|1,0,0]=3 621 B10R1.113 CC1=CC(=CC=C1)[C@@H](C)O PI-49835 [0,1,0,0,1,0|1,0,1]=4 622 B10R1.113 CC1=CC(=CN=C1)C(=O)O PI-13102 [0,1,0,0,1,0|1,0,0]=3 623 B10R1.113 CC1=NC(=CC=C1)C(=O)O PI-31796 [0,1,0,0,1,0|1,0,0]=3 624 B10R1.113 CC1=NC=CC(C(C)=O)=C1 PI-46770 [0,1,0,0,1,0|2,0,0]=4 625 B10R1.113 C[C@@H](C1=CC(=CC=C1)Br)O PI-49804 [0,1,0,0,1,0|1,0,1]=4 626 B10R1.113 C[C@@H](O)C1=CC=CC(Br)=C1 PI-37056 [0,1,0,0,1,0|1,0,1]=4 627 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N PI-17447 [0,1,0,0,1,0|2,0,0]=4 628 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)O PI-17996 [0,1,0,0,1,0|1,0,0]=3 629 B10R1.113 C[n+]1cccc(c1)C(=O)[O-] PI-39076 [0,1,0,0,1,0|1,0,1]=4 630 B10R1.113 Cc1nccc(n1)C(=O)O PI-36794 [0,1,0,0,1,0|2,0,0]=4 631 B10R1.113 Clc1cccc(c1)B(O)O PI-11573 [0,1,0,0,1,0|1,0,1]=4 632 B10R1.113 Clc1cccc(n1)C(=O)O PI-10178 [0,1,0,0,1,0|1,0,0]=3 633 B10R1.113 Clc1nccc(c1)C(=O)C PI-38296 [0,1,0,0,1,0|2,0,0]=4 634 B10R1.113 Fc1cccc(c1)B(O)O PI-23443 [0,1,0,0,1,0|1,0,1]=4 635 B10R1.113 Fc1cccc(c1)C(=O)C PI-28549 [0,1,0,0,1,0|1,0,0]=3 636 B10R1.113 Fc1cccc(c1)[N+](=O)[O-] PI-16966 [0,1,0,0,1,0|1,0,1]=4 637 B10R1.113 Fc1cccc(n1)C(=O)O PI-34433 [0,1,0,0,1,0|1,0,0]=3 638 B10R1.113 Fc1nccc(c1)C(=O)O PI-19547 [0,1,0,0,1,0|1,0,0]=3 639 B10R1.113 Ic1cccc(c1)C(=O)O PI-12091 [0,1,0,0,1,0|0,0,0]=2 640 B10R1.113 Ic1nccc(c1)C(=O)O PI-36519 [0,1,0,0,1,0|1,0,0]=3 641 B10R1.113 NC(=O)c1cc(Br)cnc1 PI-30430 [0,1,0,0,1,0|2,0,0]=4 642 B10R1.113 NC(C1=CC=CC(O)=C1)=S PI-20876 [0,1,0,0,1,0|1,1,0]=4 643 B10R1.113 Nc1cccc(c1)B(O)O PI-16837 [0,1,0,0,1,0|1,0,1]=4 644 B10R1.113 Nc1cccc(c1)C(=O)C PI-32567 [0,1,0,0,1,0|1,0,0]=3 645 B10R1.113 Nc1cccc(c1)C(=O)N PI-30514 [0,1,0,0,1,0|1,0,0]=3 646 B10R1.113 O=C(C1=CC(C)=NC=C1)O PI-36276 [0,1,0,0,1,0|1,0,0]=3 647 B10R1.113 O=C(C1=CC(C=CO1)=O)O PI-40052 [0,1,0,0,1,0|1,0,0]=3 648 B10R1.113 O=C(C1=NC(Cl)=CN=C1)O PI-37167 [0,1,0,0,1,0|2,0,0]=4 649 B10R1.113 OC(=O)c1cc(Cl)nnc1 PI-38264 [0,1,0,0,1,0|2,0,0]=4 650 B10R1.113 OC(=O)c1cccc(O)n1 PI-16038 [0,1,0,0,1,0|1,0,0]=3 651 B10R1.113 Oc1cccc(c1)C(=O)C PI-31363 [0,1,0,0,1,0|1,0,0]=3 652 B10R1.113 Oc1cccc(c1)C(=O)N PI-30785 [0,1,0,0,1,0|1,0,0]=3 653 B10R1.113 Oc1cccc(c1)C(=O)O PI-33399 [0,1,0,0,1,0|0,0,0]=2 654 B10R1.113 Oc1cccc(c1)[N+](=O)[O-] PI-11942 [0,1,0,0,1,0|1,0,1]=4 655 B10R1.113 Oc1cncc(c1)C(=O)O PI-10172 [0,1,0,0,1,0|1,0,0]=3 656 B10R1.113 Oc1ncnc(c1)C(=O)O PI-31803 [0,1,0,0,1,0|2,0,0]=4 657 B10R1.113 S=C(N)C1=CC=CC(C)=C1 PI-19344 [0,1,0,0,1,0|1,1,0]=4 658 B10R1.23 OC(=O)C(=O)c1cccs1 PI-12233 [0,1,0,0,1,0|1,0,1]=4 659 B10R1.27 C1=CSC=C1CC(=O)NN PI-29251 [0,1,0,0,1,0|2,0,0]=4 660 B10R1.27 COC(=O)CC1=CC=CS1 PI-50442 [0,1,0,0,1,0|1,0,0]=3 661 B10R1.27 COC(=O)CC1=CSC=C1 PI-30743 [0,1,0,0,1,0|1,0,0]=3 662 B10R1.54 CC1=CSC(=C1)CC(=O)C PI-48378 [0,1,0,0,1,0|2,0,0]=4 663 B10R1.54 CC1=NN(C=C1)CC(=O)O PI-17370 [0,1,0,0,1,0|2,0,0]=4 664 B10R1.54 Nc1nc(cs1)CC(=O)O PI-11022 [0,1,0,0,1,0|2,0,0]=4 665 B10R1.54 Nc1nc(cs1)CC(=O)O PI-12833 [0,1,0,0,1,0|2,0,0]=4 666 B10R1.64 Cc1nccn1CC(=O)O PI-40829 [0,1,0,0,1,0|2,0,0]=4 667 B12R1.21 C1=C(C=NC(=N1)OCC(=O)O)Br PI-44078 [0,1,0,0,0,1|2,0,0]=4 668 B12R1.21 C1=C(C=NC(=N1)SCC(=O)O)Br PI-44079 [0,1,0,0,0,1|2,0,0]=4 669 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)F PI-31203 [0,1,0,0,0,1|0,0,1]=3 670 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O PI-11519 [0,1,0,0,0,1|0,0,1]=3 671 B12R1.21 C1=CC(=CC=C1CCC(=O)O)Br PI-22539 [0,1,0,0,0,1|0,0,0]=2 672 B12R1.21 C1=CC(=CC=C1CCC(=O)O)F PI-16999 [0,1,0,0,0,1|0,0,0]=2 673 B12R1.21 C1=CC(=CC=C1N)SCC(=O)O PI-17023 [0,1,0,0,0,1|0,0,0]=2 674 B12R1.21 C1=CC(=CC=C1NCC(=O)O)O PI-17923 [0,1,0,0,0,1|0,0,0]=2 675 B12R1.21 C1=CC(=CC=C1OCC(=O)Cl)Cl PI-48840 [0,1,0,0,0,1|1,0,0]=3 676 B12R1.21 C1=CC(=CC=C1OCC(=O)O)Br PI-11970 [0,1,0,0,0,1|0,0,0]=2 677 B12R1.21 C1=CC(=CC=C1OCC(=O)O)Cl PI-32616 [0,1,0,0,0,1|0,0,0]=2 678 B12R1.21 C1=CC(=CC=C1OCC(=O)O)F PI-10469 [0,1,0,0,0,1|0,0,0]=2 679 B12R1.21 C1=CC(=CC=C1OCC(=O)O)I PI-12100 [0,1,0,0,0,1|0,0,0]=2 680 B12R1.21 C1=CC(=CC=C1OCC(=O)[O-])Cl PI-48839 [0,1,0,0,0,1|0,0,1]=3 681 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O PI-29472 [0,1,0,0,0,1|1,0,1]=4 682 B12R1.21 CC(=O)CSC1=CC=C(C=C1)Cl PI-30390 [0,1,0,0,0,1|1,0,0]=3 683 B12R1.21 CC(=O)NNC1=CC=C(C=C1)Br PI-50329 [0,1,0,0,0,1|2,0,0]=4 684 B12R1.21 CC(CCC1=CC=C(O)C=C1)=O PI-37298 [0,1,0,0,0,1|1,0,0]=3 685 B12R1.21 CC1=CC=C(C=C1)C=CC(=O)O PI-11523 [0,1,0,0,0,1|0,0,1]=3 686 B12R1.21 C[C@H](CCc1ccc(cc1)O)O PI-38464 [0,1,0,0,0,1|1,0,1]=4 687 B12R1.21 ClC(=O)COc1ccc(F)cc1 PI-23819 [0,1,0,0,0,1|1,0,0]=3 688 B12R1.21 OC(=O)CCc1ccc(O)cc1 PI-11883 [0,1,0,0,0,1|0,0,0]=2 689 B12R1.21 OC(=O)CCc1ccc(cc1)C PI-12005 [0,1,0,0,0,1|0,0,0]=2 690 B12R1.21 OC(=O)CCc1ccc(cc1)Cl PI-11982 [0,1,0,0,0,1|0,0,0]=2 691 B12R1.21 OC(=O)CNc1ccc(cc1)F PI-38811 [0,1,0,0,0,1|0,0,0]=2 692 B12R1.21 OC(=O)COc1ccc(=O)[nH]n1 PI-36401 [0,1,0,0,0,1|2,0,0]=4 693 B12R1.21 OC(=O)COc1ccc(C)cc1 PI-30986 [0,1,0,0,0,1|0,0,0]=2 694 B12R1.21 OC(=O)\C=C\c1ccc(N)cc1 PI-28305 [0,1,0,0,0,1|0,0,1]=3 695 B12R1.21 OC(=O)\C=C\c1ccc(cc1)Cl PI-11979 [0,1,0,0,0,1|0,0,1]=3 696 B12R1.21 OC(=O)\C=C\c1ccc(cc1)O PI-20417 [0,1,0,0,0,1|0,0,1]=3 697 B12R1.27 C1=CC=C(C=C1)CCC(=O)NN PI-50331 [0,1,0,0,0,1|1,0,0]=3 698 B12R1.27 C1=CC=C(C=C1)CNC(=O)CCl PI-49782 [0,1,0,0,0,1|1,0,0]=3 699 B12R1.27 C1=CC=C(C=C1)COC(=O)CBr PI-32119 [0,1,0,0,0,1|1,0,0]=3 700 B12R1.27 C1=CC=C(C=C1)COC(=O)CO PI-48132 [0,1,0,0,0,1|0,0,0]=2 701 B12R1.27 C1=CC=C(C=C1)COC(=O)NN PI-13115 [0,1,0,0,0,1|1,0,0]=3 702 B12R1.27 C1=CC=C(C=C1)OCC(=O)NN PI-50252 [0,1,0,0,0,1|1,0,0]=3 703 B12R1.27 C1=CC=C(C=C1)OCC(CO)O PI-33776 [0,1,0,0,0,1|0,0,2]=4 704 B12R1.27 C=CC(=O)OCc1ccccc1 PI-40377 [0,1,0,0,0,1|1,0,0]=3 705 B12R1.27 CCC(=O)CCC1=CC=CC=C1 PI-33801 [0,1,0,0,0,1|1,0,0]=3 706 B12R1.27 CNC(=S)NCC1=CC=CC=C1 PI-28336 [0,1,0,0,0,1|1,1,0]=4 707 B12R1.27 COC(=O)CSC1=CC=CC=C1 PI-24151 [0,1,0,0,0,1|0,0,0]=2 708 B12R1.27 C[C@@H](NCC1=CC=CC=C1)CO PI-36948 [0,1,0,0,0,1|1,0,1]=4 709 B12R1.27 NCC(=O)OCc1ccccc1 PI-12180 [0,1,0,0,0,1|1,0,0]=3 710 B12R1.27 NCC(=O)OCc1ccccc1 PI-12746 [0,1,0,0,0,1|1,0,0]=3 711 B12R1.27 ONC(=O)OCc1ccccc1 PI-38635 [0,1,0,0,0,1|0,0,0]=2 712 B12R1.43 C1=CC(=CN=C1)CC(C(=O)O)N PI-14958 [0,1,0,0,0,1|1,0,0]=3 713 B12R1.43 C1=CC=C(C=C1)C=C(C(=O)O)F PI-25464 [0,1,0,0,0,1|0,0,1]=3 714 B12R1.43 C1=CC=C(C=C1)CC(C(=O)N)N PI-41047 [0,1,0,0,0,1|1,0,0]=3 715 B12R1.43 C1=CC=C(C=C1)CC(C(=O)N)N PI-42203 [0,1,0,0,0,1|1,0,0]=3 716 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O PI-10517 [0,1,0,0,0,1|0,0,0]=2 717 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O PI-46947 [0,1,0,0,0,1|0,0,0]=2 718 B12R1.43 C1=CC=NC(=C1)CC(C(=O)O)N PI-14954 [0,1,0,0,0,1|1,0,0]=3 719 B12R1.43 C=C(C(=O)O)Cc1ccccc1 PI-12179 [0,1,0,0,0,1|0,0,0]=2 720 B12R1.43 CC(=CC1=CC=CC=C1)C(=O)Cl PI-24345 [0,1,0,0,0,1|1,0,1]=4 721 B12R1.43 CC(=CC1=CC=CC=C1)C(=O)O PI-25085 [0,1,0,0,0,1|0,0,1]=3 722 B12R1.43 CC(Oc1ccccc1)C(=O)O PI-32598 [0,1,0,0,0,1|0,0,0]=2 723 B12R1.43 N[C@@H](C(=O)O)Cc1ccccc1 PI-31261 [0,1,0,0,0,1|0,0,0]=2 724 B12R1.43 N[C@@H](C(=O)O)Cc1ccncc1 PI-25509 [0,1,0,0,0,1|1,0,0]=3 725 B12R1.43 N[C@@H](Cc1ccncc1)C(=O)O PI-25508 [0,1,0,0,0,1|1,0,0]=3 726 B12R1.43 O=C(C(=O)O)Cc1ccccc1 PI-12929 [0,1,0,0,0,1|0,0,0]=2 727 B12R1.43 OC(=O)[C@@H](Cc1ccccn1)N PI-14955 [0,1,0,0,0,1|1,0,0]=3 728 B12R1.43 OC(=O)[C@@H](Cc1cccnc1)N PI-14959 [0,1,0,0,0,1|1,0,0]=3 729 B12R1.43 O[C@@H](C(=O)O)Cc1ccccc1 PI-28788 [0,1,0,0,0,1|0,0,0]=2 730 B12R1.107 C1=CC(=CN=C1)C(CC(=O)O)N PI-45558 [0,1,0,0,0,1|1,0,0]=3 731 B12R1.107 C1=CC=C(C=C1)C(=O)C[N+](=O)[O-] PI-21378 [0,1,0,0,0,1|1,0,1]=4 732 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)N PI-18757 [0,1,0,0,0,1|0,0,0]=2 733 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)N PI-32818 [0,1,0,0,0,1|0,0,0]=2 734 B12R1.107 CC(C1=CC=CC=C1)NC(=O)C PI-26590 [0,1,0,0,0,1|1,0,0]=3 735 B12R1.107 CC(N[C@H](C1=CC=CC=C1)C)=O PI-26251 [0,1,0,0,0,1|1,0,0]=3 736 B12R1.107 CC(c1ccccc1)CC(=O)O PI-25588 [0,1,0,0,0,1|0,0,0]=2 737 B12R1.107 N[C@H](c1ccccc1)CC(=O)O PI-18530 [0,1,0,0,0,1|0,0,0]=2 738 B12R1.107 OC(=O)C[C@@H](N)c1ccccc1 PI-18173 [0,1,0,0,0,1|0,0,0]=2 739 B12R1.107 OC(=O)C[C@@H](N)c1ccccc1 PI-18923 [0,1,0,0,0,1|0,0,0]=2 740 B12R1.107 OC(=O)C[C@@H](N)c1ccccc1 PI-18924 [0,1,0,0,0,1|0,0,0]=2 741 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)Cl)Cl PI-20015 [0,1,0,0,0,1|1,0,1]=4 742 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)O)Cl PI-23702 [0,1,0,0,0,1|0,0,1]=3 743 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)O)F PI-31196 [0,1,0,0,0,1|0,0,1]=3 744 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)Cl PI-16404 [0,1,0,0,0,1|0,0,0]=2 745 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)F PI-16997 [0,1,0,0,0,1|0,0,0]=2 746 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)O PI-20847 [0,1,0,0,0,1|0,0,0]=2 747 B12R1.125 C1=CC=C(C(=C1)OCC(=O)O)Cl PI-32617 [0,1,0,0,0,1|0,0,0]=2 748 B12R1.125 CC1=CC=CC=C1CCC(=O)O PI-24240 [0,1,0,0,0,1|0,0,0]=2 749 B12R1.125 CC1=CC=CC=C1OCC(=O)O PI-30248 [0,1,0,0,0,1|0,0,0]=2 750 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O PI-11520 [0,1,0,0,0,1|0,0,1]=3 751 B12R1.125 OC(=O)CCc1ccccc1Br PI-22537 [0,1,0,0,0,1|0,0,0]=2 752 B12R1.125 OC(=O)\C=C\c1ccccc1C PI-11522 [0,1,0,0,0,1|0,0,1]=3 753 B12R1.226 C1=CC(=CC(=C1)Br)CN=C(N)N PI-14387 [0,1,0,0,0,1|2,0,0]=4 754 B12R1.226 C1=CC(=CC(=C1)Cl)C=CC(=O)O PI-11920 [0,1,0,0,0,1|0,0,1]=3 755 B12R1.226 C1=CC(=CC(=C1)Cl)OCC(=O)O PI-50533 [0,1,0,0,0,1|0,0,0]=2 756 B12R1.226 C1=CC(=CC(=C1)F)C=CC(=O)O PI-31202 [0,1,0,0,0,1|0,0,1]=3 757 B12R1.226 C1=CC(=CC(=C1)O)C=CC(=O)O PI-11521 [0,1,0,0,0,1|0,0,1]=3 758 B12R1.226 C1=CC(=CC(=C1)O)CCC(=O)O PI-20848 [0,1,0,0,0,1|0,0,0]=2 759 B12R1.226 CC1=CC(=CC=C1)C=CC(=O)O PI-30448 [0,1,0,0,0,1|0,0,1]=3 760 B12R1.226 CC1=CC(=CC=C1)CCC(=O)O PI-24369 [0,1,0,0,0,1|0,0,0]=2 761 B12R1.226 CC1=CC(=CC=C1)OCC(=O)O PI-50532 [0,1,0,0,0,1|0,0,0]=2 762 B12R1.226 OC(=O)CCc1cccc(c1)Br PI-22538 [0,1,0,0,0,1|0,0,0]=2 763 B12R1.226 OC(=O)CCc1cccc(c1)F PI-16998 [0,1,0,0,0,1|0,0,0]=2 764 B12R1.226 OC(=O)\C=C\c1cccc(c1)Br PI-20686 [0,1,0,0,0,1|0,0,1]=3 765 B12R1.891 C1=CN=CC=C1CCS(=O)(=O)O PI-32898 [0,1,0,0,0,1|2,0,0]=4 766 B12R1.4 C1=CC(=CC=C1CC(=O)O)CBr PI-30129 [0,2,0,0,0,0|0,0,0]=2 767 B12R1.4 CC(=O)NC1=CC=C(C=C1)C#N PI-10998 [0,2,0,0,0,0|2,0,0]=4 768 B12R1.4 CC(=O)NC1=CC=C(C=C1)C=O PI-10856 [0,2,0,0,0,0|2,0,0]=4 769 B12R1.4 CC(=O)NC1=CC=C(C=C1)CCl PI-26732 [0,2,0,0,0,0|2,0,0]=4 770 B12R1.4 CC(=O)NC1=CC=C(C=C1)SC PI-26041 [0,2,0,0,0,0|2,0,0]=4 771 B12R1.4 CC(=O)OC1=CC=C(C=C1)C=C PI-26362 [0,2,0,0,0,0|2,0,0]=4 772 B12R1.4 CC(=O)OC1=CC=C(C=C1)C=O PI-27962 [0,2,0,0,0,0|2,0,0]=4 773 B12R1.4 CCC1=CC=C(C=C1)OC(=O)C PI-26566 [0,2,0,0,0,0|2,0,0]=4 774 B12R1.4 CCc1ccc(cc1)CC(=O)C PI-15443 [0,2,0,0,0,0|1,0,0]=3 775 B12R1.4 COC1=CC=C(C=C1)CC(=O)Cl PI-46936 [0,2,0,0,0,0|1,0,0]=3 776 B12R1.4 COc1ccc(cc1)CC(=O)C PI-12198 [0,2,0,0,0,0|1,0,0]=3 777 B12R1.4 COc1ccc(cc1)CC(=O)O PI-22754 [0,2,0,0,0,0|0,0,0]=2 778 B12R1.4 CSC1=CC=C(C=C1)CC(=O)O PI-30187 [0,2,0,0,0,0|0,0,0]=2 779 B12R1.4 OCc1ccc(cc1)CC(=O)O PI-30890 [0,2,0,0,0,0|0,0,0]=2 780 B12R1.4 OCc1ccc(cc1)NC(=O)C PI-26188 [0,2,0,0,0,0|2,0,0]=4 781 B12R1.19 C1=C(C=C(C(=C1)F)Cl)CC(=O)O PI-28777 [0,2,0,0,0,0|0,0,0]=2 782 B12R1.19 C1=CC(=C(C=C1CC(=O)O)Br)O PI-10051 [0,2,0,0,0,0|0,0,0]=2 783 B12R1.19 C1=CC(=C(C=C1CC(=O)O)Cl)Cl PI-12710 [0,2,0,0,0,0|0,0,0]=2 784 B12R1.19 C1=CC(=C(C=C1CC(=O)O)Cl)O PI-30493 [0,2,0,0,0,0|0,0,0]=2 785 B12R1.19 C1=CC(=C(C=C1CC(=O)O)F)F PI-13375 [0,2,0,0,0,0|0,0,0]=2 786 B12R1.19 CC(=O)NC1=CC(=C(C=C1)Cl)N PI-11326 [0,2,0,0,0,0|2,0,0]=4 787 B12R1.19 CC(=O)NC1=CC(=C(C=C1)O)Cl PI-19534 [0,2,0,0,0,0|2,0,0]=4 788 B12R1.19 OC(=O)Cc1ccc(O)c(O)c1 PI-26031 [0,2,0,0,0,0|0,0,0]=2 789 B12R1.19 OC(=O)Cc1ccc(c(c1)F)C PI-23761 [0,2,0,0,0,0|0,0,0]=2 790 B12R1.19 OC(=O)Cc1ccc(c(c1)F)N PI-36900 [0,2,0,0,0,0|0,0,0]=2 791 B12R1.19 OC(=O)Cc1ccc(c(c1)F)O PI-30640 [0,2,0,0,0,0|0,0,0]=2 792 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)Br PI-30107 [0,2,0,0,0,0|0,0,0]=2 793 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)Cl PI-15413 [0,2,0,0,0,0|0,0,0]=2 794 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)Cl PI-21861 [0,2,0,0,0,0|0,0,0]=2 795 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)Cl PI-21862 [0,2,0,0,0,0|0,0,0]=2 796 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)F PI-16851 [0,2,0,0,0,0|0,0,0]=2 797 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)F PI-16852 [0,2,0,0,0,0|0,0,0]=2 798 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)O PI-27356 [0,2,0,0,0,0|0,0,0]=2 799 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)Br PI-12127 [0,2,0,0,0,0|0,0,0]=2 800 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)Cl PI-11218 [0,2,0,0,0,0|0,0,0]=2 801 B12R1.20 CC(C1=CC=C(C=C1)Cl)C(=O)O PI-30984 [0,2,0,0,0,0|0,0,0]=2 802 B12R1.20 CC(c1ccc(cc1)C)C(=O)O PI-11714 [0,2,0,0,0,0|0,0,0]=2 803 B12R1.20 NC(c1ccc(cc1)F)C(=O)O PI-10414 [0,2,0,0,0,0|0,0,0]=2 804 B12R1.20 OC(=O)[C@H](c1ccc(cc1)O)N PI-27478 [0,2,0,0,0,0|0,0,0]=2 805 B12R1.20 OC(c1ccc(cc1)F)C(=O)O PI-12126 [0,2,0,0,0,0|0,0,0]=2 806 B12R1.49 C1=CC(=CC=C1CC(=O)NN)Cl PI-50326 [0,2,0,0,0,0|1,0,0]=3 807 B12R1.49 C1=CC(=CC=C1CC(=O)NN)F PI-50267 [0,2,0,0,0,0|1,0,0]=3 808 B12R1.49 C1=CC(=CC=C1CC(=O)NN)O PI-50261 [0,2,0,0,0,0|1,0,0]=3 809 B12R1.49 C1=CC(=CC=C1NC(=O)CCl)Cl PI-20206 [0,2,0,0,0,0|2,0,0]=4 810 B12R1.49 C1=CC(=CC=C1NC(=O)CCl)F PI-15659 [0,2,0,0,0,0|2,0,0]=4 811 B12R1.49 CC1=CC=C(C=C1)CC(=O)NN PI-50599 [0,2,0,0,0,0|1,0,0]=3 812 B12R1.49 CCC(=O)SC1=CC=C(C=C1)C PI-19241 [0,2,0,0,0,0|2,0,0]=4 813 B12R1.49 COC(=O)CC1=CC=C(C=C1)Br PI-50433 [0,2,0,0,0,0|0,0,0]=2 814 B12R1.49 COC(=O)CC1=CC=C(C=C1)Cl PI-13010 [0,2,0,0,0,0|0,0,0]=2 815 B12R1.49 COC(=O)CC1=CC=C(C=C1)F PI-50441 [0,2,0,0,0,0|0,0,0]=2 816 B12R1.49 COC(=O)CC1=CC=C(C=C1)N PI-50506 [0,2,0,0,0,0|0,0,0]=2 817 B12R1.49 COC(=O)CC1=CC=C(C=C1)O PI-11994 [0,2,0,0,0,0|0,0,0]=2 818 B12R1.49 COC(=O)Cc1ccc(cc1)C PI-12770 [0,2,0,0,0,0|0,0,0]=2 819 B12R1.49 FC1=CC=C(CC(=O)C=C)C=C1 PI-36344 [0,2,0,0,0,0|1,0,0]=3 820 B12R1.49 O\N=C(\N)/Cc1ccc(Br)cc1 PI-22267 [0,2,0,0,0,0|1,0,0]=3 821 B12R1.106 *c1ccc(cc1)CS(=O)(=O)Cl PI-24078 [0,2,0,0,0,0|1,0,1]=4 822 B12R1.106 C1=CC(=CC=C1CP(=O)(O)O)N PI-40604 [0,2,0,0,0,0|1,0,0]=3 823 B12R1.106 C1=CC(=CC=C1CS(=O)(=O)Cl)Br PI-20566 [0,2,0,0,0,0|1,0,1]=4 824 B12R1.106 C1=CC(=CC=C1CS(=O)(=O)Cl)F PI-38568 [0,2,0,0,0,0|1,0,1]=4 825 B12R1.106 Cc1ccc(cc1)CS(=O)(=O)Cl PI-24456 [0,2,0,0,0,0|1,0,1]=4 826 B12R1.106 Fc1ccc(cc1)CS(=O)(=O)C PI-23499 [0,2,0,0,0,0|1,0,1]=4 827 B12R1.233 C1=CC(=C(C=C1Cl)Cl)CC(=O)O PI-11746 [0,2,0,0,0,0|0,0,0]=2 828 B12R1.233 C1=CC(=C(C=C1F)Br)CC(=O)O PI-44979 [0,2,0,0,0,0|0,0,0]=2 829 B12R1.233 C1=CC(=C(C=C1F)Cl)CC(=O)O PI-30228 [0,2,0,0,0,0|0,0,0]=2 830 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Br)F PI-28379 [0,2,0,0,0,0|2,0,0]=4 831 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Br)I PI-50165 [0,2,0,0,0,0|2,0,0]=4 832 B12R1.233 CC(=O)NC1=C(C=C(C=C1)F)Br PI-28019 [0,2,0,0,0,0|2,0,0]=4 833 B12R1.233 CC(=O)NC1=C(C=C(C=C1)F)F PI-34148 [0,2,0,0,0,0|2,0,0]=4 834 B12R1.233 CC(=O)NC1=C(C=C(C=C1)N)Cl PI-37796 [0,2,0,0,0,0|2,0,0]=4 835 B12R1.233 CC1=C(C=CC(=C1)Cl)NC(=O)C PI-20149 [0,2,0,0,0,0|2,0,0]=4 836 B12R1.233 CC1=CC(=C(C=C1)CC(=O)O)C PI-11754 [0,2,0,0,0,0|0,0,0]=2 837 B12R1.233 OC(=O)Cc1ccc(cc1Br)Cl PI-38895 [0,2,0,0,0,0|0,0,0]=2 838 B12R1.233 OC(=O)Cc1ccc(cc1F)Br PI-35230 [0,2,0,0,0,0|0,0,0]=2 839 B12R1.233 OC(=O)Cc1ccc(cc1F)F PI-13373 [0,2,0,0,0,0|0,0,0]=2 840 B12R1.34 C1=CC=C(C=C1)C(C(=O)NN)O PI-50234 [0,2,0,0,0,0|1,0,0]=3 841 B12R1.34 CC(C1=CC=CC=C1)C(=O)OC PI-50499 [0,2,0,0,0,0|0,0,0]=2 842 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 PI-11500 [0,2,0,0,0,0|0,0,1]=3 843 B12R1.34 COC(=O)C(C1=CC=CC=C1)Cl PI-12504 [0,2,0,0,0,0|0,0,0]=2 844 B12R1.34 COC(=O)C(C1=CC=CC=C1)O PI-31834 [0,2,0,0,0,0|0,0,0]=2 845 B12R1.34 COC(=O)C(C1=CC=CC=C1)O PI-31835 [0,2,0,0,0,0|0,0,0]=2 846 B12R1.34 COC(=O)[C@H](c1ccccc1)N PI-13398 [0,2,0,0,0,0|0,0,0]=2 847 B12R1.34 O\N=C(\C(=O)c1ccccc1)/C PI-38229 [0,2,0,0,0,0|1,0,1]=4 848 B12R1.124 C1=CC=C(C(=C1)C(C(=O)O)Br)Cl PI-16780 [0,2,0,0,0,0|0,0,0]=2 849 B12R1.124 C1=CC=C(C(=C1)C(C(=O)O)N)Br PI-30383 [0,2,0,0,0,0|0,0,0]=2 850 B12R1.124 C1=CC=C(C(=C1)C(C(=O)O)N)Cl PI-11217 [0,2,0,0,0,0|0,0,0]=2 851 B12R1.124 C1=CC=C(C(=C1)C(C(=O)O)N)Cl PI-11226 [0,2,0,0,0,0|0,0,0]=2 852 B12R1.124 C1=CC=C(C(=C1)C(C(=O)O)N)Cl PI-13159 [0,2,0,0,0,0|0,0,0]=2 853 B12R1.124 C1=CC=C(C(=C1)C(C(=O)O)O)Cl PI-11222 [0,2,0,0,0,0|0,0,0]=2 854 B12R1.124 C1=CC=C(C(=C1)C(C(=O)O)O)Cl PI-11225 [0,2,0,0,0,0|0,0,0]=2 855 B12R1.124 CC(C1=CC=CC=C1Cl)C(=O)O PI-16403 [0,2,0,0,0,0|0,0,0]=2 856 B12R1.124 OC(=O)C(N)c1ccccc1O PI-36100 [0,2,0,0,0,0|0,0,0]=2 857 B12R1.124 OC(=O)C(c1ccccc1Br)O PI-12128 [0,2,0,0,0,0|0,0,0]=2 858 B12R1.124 OC(=O)C(c1ccccc1Cl)O PI-11216 [0,2,0,0,0,0|0,0,0]=2 859 B12R1.124 OC(=O)C(c1ccccc1F)N PI-17020 [0,2,0,0,0,0|0,0,0]=2 860 B12R1.124 OC(=O)[C@@H](c1ccccc1F)O PI-36868 [0,2,0,0,0,0|0,0,0]=2 861 B12R1.225 C1=CC(=CC(=C1)Br)C(C(=O)O)N PI-30934 [0,2,0,0,0,0|0,0,0]=2 862 B12R1.225 C1=CC(=CC(=C1)Cl)C(C(=O)O)N PI-24591 [0,2,0,0,0,0|0,0,0]=2 863 B12R1.225 CC(C(O)=O)C1=CC(Br)=CC=C1 PI-33919 [0,2,0,0,0,0|0,0,0]=2 864 B12R1.225 OC(=O)C(O)c1cccc(Br)c1 PI-21550 [0,2,0,0,0,0|0,0,0]=2 865 B12R1.225 OC(=O)C(O)c1cccc(C)c1 PI-24801 [0,2,0,0,0,0|0,0,0]=2 866 B12R1.225 O[C@H](C1=CC=CC(Cl)=C1)C(O)=O PI-37323 [0,2,0,0,0,0|0,0,0]=2 867 B12R1.253 C1=CC=C(C=C1)C(C(=O)N)(F)F PI-12515 [0,2,0,0,0,0|1,0,0]=3 868 B12R1.253 CC(C)(C1=CC=CC=C1)C(=O)O PI-11339 [0,2,0,0,0,0|0,0,0]=2 869 B12R1.253 CC(C1=CC=CC=C1)(C(=O)O)O PI-19096 [0,2,0,0,0,0|0,0,0]=2 870 B12R1.253 CC(C1=CC=CC=C1)(C(=O)O)O PI-19536 [0,2,0,0,0,0|0,0,0]=2 871 B12R1.478 C1=CC=C(C=C1)C(CO)C(=O)O PI-10781 [0,2,0,0,0,0|0,0,0]=2 872 B12R1.32 CCCC(CC1=CC=CC=C1)=O PI-19824 [0,2,0,0,0,0|1,0,0]=3 873 B12R1.32 CCOC(=O)CC1=CN=CC=C1 PI-42472 [0,2,0,0,0,0|1,0,0]=3 874 B12R1.32 CCOC(=O)C[n+]1ccccc1 PI-17048 [0,2,0,0,0,0|1,0,0]=3 875 B12R1.32 CCOC(=O)NC1=CC=CC=C1 PI-50683 [0,2,0,0,0,0|1,0,0]=3 876 B12R1.32 COCC(CC1=CC=CC=C1)N PI-19806 [0,2,0,0,0,0|1,0,1]=4 877 B12R1.32 O=C(OCC)CC1=NC=CC=N1 PI-46779 [0,2,0,0,0,0|2,0,0]=4 878 B12R1.50 C1=CC(=CC(=C1)Cl)CC(=O)NN PI-50254 [0,2,0,0,0,0|1,0,0]=3 879 B12R1.50 C1=CC(=CC(=C1)F)NC(=O)CCl PI-23121 [0,2,0,0,0,0|2,0,0]=4 880 B12R1.50 CC1=CC(=CC=C1)CC(=O)OC PI-50501 [0,2,0,0,0,0|0,0,0]=2 881 B12R1.50 CCC(=O)NC1=CC=CC(=C1)N PI-30343 [0,2,0,0,0,0|2,0,0]=4 882 B12R1.50 CNC(=O)CC1=CC(=CC=C1)N PI-36757 [0,2,0,0,0,0|1,0,0]=3 883 B12R1.50 COC(=O)CC1=CC(=CC=C1)Br PI-50496 [0,2,0,0,0,0|0,0,0]=2 884 B12R1.50 COC(=O)CC1=CC(=CC=C1)F PI-50484 [0,2,0,0,0,0|0,0,0]=2 885 B12R1.50 COC(=O)CC1=CC(=CC=C1)N PI-50434 [0,2,0,0,0,0|0,0,0]=2 886 B12R1.50 COC(=O)CC1=CC(=CC=C1)N PI-50508 [0,2,0,0,0,0|0,0,0]=2 887 B12R1.50 COC(=O)CC1=CC(=CC=C1)O PI-50436 [0,2,0,0,0,0|0,0,0]=2 888 B12R1.50 COC(=O)Cc1cccc(Cl)c1 PI-30683 [0,2,0,0,0,0|0,0,0]=2 889 B12R1.118 OCC(CO)Cc1ccccc1 PI-24129 [0,2,0,0,0,0|0,0,2]=4 890 B12R1.371 C1=CC=C(C(=C1)CC(=O)NN)Cl PI-50255 [0,2,0,0,0,0|1,0,0]=3 891 B12R1.371 C1=CC=C(C(=C1)CC(=O)NN)F PI-50405 [0,2,0,0,0,0|1,0,0]=3 892 B12R1.371 CC1=CC=CC=C1CC(=O)OC PI-50422 [0,2,0,0,0,0|0,0,0]=2 893 B12R1.371 COC(=O)CC1=CC=CC=C1Cl PI-30731 [0,2,0,0,0,0|0,0,0]=2 894 B12R1.371 COC(=O)CC1=CC=CC=C1F PI-30730 [0,2,0,0,0,0|0,0,0]=2 895 B12R1.371 COC(=O)CC1=CC=CC=C1O PI-50540 [0,2,0,0,0,0|0,0,0]=2 896 B12R1.371 COC(=O)Cc1ccccc1Br PI-26756 [0,2,0,0,0,0|0,0,0]=2 897 B12R1.75 C1=CC=C(C(=C1)CC(=O)O)C#N PI-48354 [0,2,0,0,0,0|0,0,0]=2 898 B12R1.75 C1=CC=C(C(=C1)CC(=O)O)CCl PI-19992 [0,2,0,0,0,0|0,0,0]=2 899 B12R1.75 C1=CC=C(C(=C1)CC(=O)O)CN PI-30676 [0,2,0,0,0,0|0,0,0]=2 900 B12R1.75 CC(=O)CC1=CC=CC=C1OC PI-12199 [0,2,0,0,0,0|1,0,0]=3 901 B12R1.75 CC(=O)OC1=CC=CC=C1OC PI-26163 [0,2,0,0,0,0|2,0,0]=4 902 B12R1.75 CC(=O)OC1=CC=CC=C1OC PI-41862 [0,2,0,0,0,0|2,0,0]=4 903 B12R1.75 CCC1=CC=CC=C1OC(=O)C PI-26541 [0,2,0,0,0,0|2,0,0]=4 904 B12R1.75 COc1ccccc1CC(=O)O PI-37988 [0,2,0,0,0,0|0,0,0]=2 905 B12R1.75 NCc1ccccc1CC(=O)O PI-30588 [0,2,0,0,0,0|0,0,0]=2 906 B12R1.127 C1=CC(=C(C=C1Br)CC(=O)O)F PI-30966 [0,2,0,0,0,0|0,0,0]=2 907 B12R1.127 C1=CC(=C(C=C1F)CC(=O)O)Br PI-35231 [0,2,0,0,0,0|0,0,0]=2 908 B12R1.127 CC(=O)Nc1cc(Cl)ccc1O PI-35020 [0,2,0,0,0,0|2,0,0]=4 909 B12R1.127 CC1=CC(=C(C=C1)C)CC(=O)Cl PI-46967 [0,2,0,0,0,0|1,0,0]=3 910 B12R1.127 CC1=CC(=C(C=C1)C)CC(=O)O PI-30128 [0,2,0,0,0,0|0,0,0]=2 911 B12R1.127 CC1=CC(=C(C=C1)O)NC(=O)C PI-27815 [0,2,0,0,0,0|2,0,0]=4 912 B12R1.127 Cc1ccc(F)cc1CC(=O)O PI-23762 [0,2,0,0,0,0|0,0,0]=2 913 B12R1.127 OC(=O)Cc1cc(Cl)ccc1Br PI-20652 [0,2,0,0,0,0|0,0,0]=2 914 B12R1.127 OC(=O)Cc1cc(F)ccc1F PI-13374 [0,2,0,0,0,0|0,0,0]=2 915 B12R1.127 OC(=O)Cc1cc(O)ccc1O PI-30631 [0,2,0,0,0,0|0,0,0]=2 916 B12R1.151 Cc1ccccc1CS(=O)(=O)Cl PI-24918 [0,2,0,0,0,0|1,0,1]=4 917 B12R1.151 Fc1ccccc1CS(=O)(=O)C PI-23497 [0,2,0,0,0,0|1,0,1]=4 918 B12R1.224 C1=CC(=C(C(=C1)F)F)CC(=O)O PI-21212 [0,2,0,0,0,0|0,0,0]=2 919 B12R1.224 Cc1c(CC(=O)O)cccc1C PI-13241 [0,2,0,0,0,0|0,0,0]=2 920 B12R1.1009 C1=CC(=C(C(=C1)Cl)CC(=N)N)Cl PI-21062 [0,2,0,0,0,0|2,0,0]=4 921 B12R1.1009 C1=CC(=C(C(=C1)Cl)CC(=O)O)Cl PI-21063 [0,2,0,0,0,0|0,0,0]=2 922 B12R1.1009 C1=CC(=C(C(=C1)Cl)CC(=O)O)F PI-30548 [0,2,0,0,0,0|0,0,0]=2 923 B12R1.1009 C1=CC(=C(C(=C1)F)CC(=O)O)F PI-13376 [0,2,0,0,0,0|0,0,0]=2 924 B12R1.1009 CC(=O)NC1=C(C=CC=C1F)F PI-34150 [0,2,0,0,0,0|2,0,0]=4 925 B12R1.101 C1=C(C=C(C=C1F)F)CC(=O)O PI-16879 [0,2,0,0,0,0|0,0,0]=2 926 B12R1.101 CC1=CC(=CC(=C1)CC(=O)O)C PI-30607 [0,2,0,0,0,0|0,0,0]=2 927 B12R1.101 OC(=O)Cc1cc(Cl)cc(c1)Cl PI-35232 [0,2,0,0,0,0|0,0,0]=2 928 B12R1.119 C1=CC(=CC(=C1)Br)CS(=O)(=O)Cl PI-20565 [0,2,0,0,0,0|1,0,1]=4 929 B12R1.119 Fc1cccc(c1)CS(=O)(=O)C PI-23498 [0,2,0,0,0,0|1,0,1]=4 930 B12R1.438 COC1=CC=CC(=C1)CC(=O)O PI-15442 [0,2,0,0,0,0|0,0,0]=2 931 B12R1.438 O=Cc1cccc(c1)OC(=O)C PI-27498 [0,2,0,0,0,0|2,0,0]=4 932 B10R1.66 C1=COC=C1C=CC(=O)O PI-17379 [0,0,1,1,0,0|1,0,1]=4 933 B10R1.66 C1=CSC=C1C=CC(=O)O PI-29082 [0,0,1,1,0,0|1,0,1]=4 934 B10R1.66 OC(=O)CCc1cccs1 PI-24513 [0,0,1,1,0,0|1,0,1]=4 935 B10R1.66 OC(=O)\C=C\c1ccco1 PI-28626 [0,0,1,1,0,0|1,0,1]=4 936 B10R1.66 OC(=O)\C=C\c1ccco1 PI-31027 [0,0,1,1,0,0|1,0,1]=4 937 B10R1.66 OC(=O)\C=C\c1cccs1 PI-28053 [0,0,1,1,0,0|1,0,1]=4 938 B10R1.66 OC(=O)\C=C\c1cccs1 PI-39126 [0,0,1,1,0,0|1,0,1]=4 939 B10R2.6 C1CC1c2ccccc2 PI-17840 [1,0,0,1,0,0|1,0,1]=4 940 B10R2.6 O1C[C@@H]1c2ccccc2 PI-10841 [1,0,0,1,0,0|0,0,1]=3 941 B10R2.6 O1C[C@H]1c2ccccc2 PI-10838 [1,0,0,1,0,0|0,0,1]=3 942 B10R2.7 C12=C(CNC1)C=CC=C2 PI-41113 [1,0,0,1,0,0|2,0,0]=4 943 B10R2.7 C1=CC=C2C(=C1)C=CN2 PI-44715 [1,0,0,1,0,0|1,0,1]=4 944 B10R2.7 C1=CC=C2C(=C1)N=CO2 PI-47002 [1,0,0,1,0,0|1,0,0]=3 945 B10R2.7 C1=CC=C2C(=C1)SC=[S+]2 PI-14799 [1,0,0,1,0,0|1,1,0]=4 946 B10R2.7 C1CNC2=CC=CC=C21 PI-44710 [1,0,0,1,0,0|1,0,1]=4 947 B10R2.7 C1COC2=CC=CC=C21 PI-21250 [1,0,0,1,0,0|0,0,1]=3 948 B10R2.7 [B]1OC2=CC=CC=C2O1 PI-50000 [1,0,0,1,0,0|2,0,0]=4 949 B10R2.7 c1ccc2c(c1)[nH]cn2 PI-31348 [1,0,0,1,0,0|2,0,0]=4 950 B10R2.7 c1ccc2ccsc2c1 PI-14247 [1,0,0,1,0,0|0,1,1]=4 951 B10R2.320 C1=CC=CC2=C1CC2=O PI-40938 [1,0,0,1,0,0|0,0,0]=2 952 B10R2.320 C1C(C2=CC=CC=C21)Br PI-40935 [1,0,0,1,0,0|1,0,1]=4 953 B12R2.24 C1=CC2=CC(=O)NC=C2C=C1 PI-29911 [0,0,0,1,0,1|1,0,1]=4 954 B12R2.24 C1=CC=C2C(=C1)C=C(C=N2)O PI-35162 [0,0,0,1,0,1|1,0,1]=4 955 B12R2.24 C1=CC=C2C(=C1)NC(=O)C=N2 PI-49857 [0,0,0,1,0,1|1,0,1]=4 956 B12R2.24 C1C(=O)NC2=CC=CC=C2N1 PI-50558 [0,0,0,1,0,1|1,0,0]=3 957 B12R2.24 C1CC2=CC=CC=C2CC1O PI-18640 [0,0,0,1,0,1|1,0,1]=4 958 B12R2.24 O=C1CCc2c(C1)cccc2 PI-18642 [0,0,0,1,0,1|1,0,0]=3 959 B12R2.24 O=C1CCc2c(N1)cccc2 PI-29698 [0,0,0,1,0,1|1,0,0]=3 960 B12R2.24 O=C1CSc2c(N1)cccc2 PI-14812 [0,0,0,1,0,1|1,0,0]=3 961 B12R2.24 O=C1OCc2ccccc2C1 PI-10151 [0,0,0,1,0,1|1,0,0]=3 962 B12R2.24 Oc1ccc2c(n1)cccc2 PI-17352 [0,0,0,1,0,1|1,0,1]=4 963 B12R2.2057 C1C(O1)COC2=CC=CC=C2 PI-32351 [0,0,0,1,0,1|1,0,1]=4 964 B12R2.2057 C1C(O1)COC2=CC=CC=C2 PI-32352 [0,0,0,1,0,1|1,0,1]=4 965 B12R2.2403 O=S1(OCC2=CC=CC=C12)=O PI-40748 [0,0,0,1,0,1|1,0,1]=4 966 B12R2.3190 C1C(C2=CC=CC=C21)C(=O)O PI-40937 [0,0,0,1,0,1|0,0,0]=2 967 B12R2.606 C1=CC2=C(C=C1Br)NC(=O)N2 PI-45071 [0,1,0,1,0,0|2,0,0]=4 968 B12R2.606 C1=CC2=C(C=C1Br)NC(=O)S2 PI-45345 [0,1,0,1,0,0|1,1,0]=4 969 B12R2.606 C1=CC2=C(C=C1Br)OC(=N2)N PI-34879 [0,1,0,1,0,0|2,0,0]=4 970 B12R2.606 C1=CC2=C(C=C1Br)SC(=O)N2 PI-45346 [0,1,0,1,0,0|1,1,0]=4 971 B12R2.606 C1=CC2=C(C=C1Cl)N=C(O2)N PI-30784 [0,1,0,1,0,0|2,0,0]=4 972 B12R2.606 C1=CC2=C(C=C1Cl)NC(=O)S2 PI-12815 [0,1,0,1,0,0|1,1,0]=4 973 B12R2.606 C1=CC2=C(C=C1Cl)OC(=O)N2 PI-12045 [0,1,0,1,0,0|1,0,0]=3 974 B12R2.606 C1=CC2=C(C=C1Cl)OC(=S)N2 PI-12043 [0,1,0,1,0,0|1,1,0]=4 975 B12R2.606 C1=CC2=C(C=C1Cl)SC(=O)N2 PI-45343 [0,1,0,1,0,0|1,1,0]=4 976 B12R2.606 C1=CC2=C(C=C1F)NC(=O)S2 PI-45348 [0,1,0,1,0,0|1,1,0]=4 977 B12R2.606 C1=CC2=C(C=C1F)SC(=O)N2 PI-45349 [0,1,0,1,0,0|1,1,0]=4 978 B12R2.606 C1=CC2=C(C=C1N)NC(=O)N2 PI-28900 [0,1,0,1,0,0|2,0,0]=4 979 B12R2.606 C1=CC2=C(C=C1N)SC(=O)N2 PI-45354 [0,1,0,1,0,0|1,1,0]=4 980 B12R2.606 C1C(=O)CC2=C1C=CC(=C2)Br PI-32762 [0,1,0,1,0,0|1,0,0]=3 981 B12R2.606 C1C(=O)CC2=C1C=CC(=C2)F PI-32760 [0,1,0,1,0,0|1,0,0]=3 982 B12R2.606 C1C(CC2=C1C=CC(=C2)Br)O PI-42084 [0,1,0,1,0,0|1,0,1]=4 983 B12R2.606 C1C2=C(C=C(C=C2)F)NC1=O PI-22722 [0,1,0,1,0,0|1,0,0]=3 984 B12R2.606 C1C2=C(C=C(C=C2)I)NC1=O PI-48996 [0,1,0,1,0,0|1,0,0]=3 985 B12R2.606 C1C2=C(C=CC(=C2)Cl)NC1=O PI-10011 [0,1,0,1,0,0|1,0,0]=3 986 B12R2.606 C1C2=C(C=CC(=C2)I)NC1=O PI-48127 [0,1,0,1,0,0|1,0,0]=3 987 B12R2.606 CC1=CC2=C(C=C1)NC(=O)S2 PI-45351 [0,1,0,1,0,0|1,1,0]=4 988 B12R2.606 CC1=CC2=C(C=C1)OC(=N2)C PI-28651 [0,1,0,1,0,0|2,0,0]=4 989 B12R2.606 CC1=NC2=C(O1)C=CC(=C2)Cl PI-13544 [0,1,0,1,0,0|2,0,0]=4 990 B12R2.606 CC1=NC2=C(O1)C=CC(=C2)O PI-34999 [0,1,0,1,0,0|2,0,0]=4 991 B12R2.606 Clc1ccc2nc(Cl)oc2c1 PI-10542 [0,1,0,1,0,0|2,0,0]=4 992 B12R2.606 Nc1ccc2c(c1)oc(n2)C PI-37803 [0,1,0,1,0,0|2,0,0]=4 993 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)C1 PI-32761 [0,1,0,1,0,0|1,0,0]=3 994 B12R2.606 O=C1Cc2c(N1)cc(cc2)Br PI-14491 [0,1,0,1,0,0|1,0,0]=3 995 B12R2.606 O=C1Cc2ccc(Cl)cc2N1 PI-10012 [0,1,0,1,0,0|1,0,0]=3 996 B12R2.606 O=C1NC2=CC(F)=CC=C2N1 PI-46692 [0,1,0,1,0,0|2,0,0]=4 997 B12R2.606 O=C1Nc2c(C1)cc(cc2)Br PI-31105 [0,1,0,1,0,0|1,0,0]=3 998 B12R2.606 O=C1Nc2c(C1)cc(cc2)F PI-22697 [0,1,0,1,0,0|1,0,0]=3 999 B12R2.606 O=C1Nc2c(C1)cc(cc2)N PI-10591 [0,1,0,1,0,0|1,0,0]=3 1000 B12R2.606 O=C1Nc2c(C1)cc(cc2)O PI-11085 [0,1,0,1,0,0|1,0,0]=3 1001 B12R2.606 O=C1Oc2c(C1)cc(cc2)O PI-30406 [0,1,0,1,0,0|0,0,0]=2 1002 B12R2.606 OC1=CC=C2SC(=O)OC2=C1 PI-34883 [0,1,0,1,0,0|1,0,0]=3 1003 B12R2.18 C1C(C(=O)C2=CC=CC=C21)Br PI-30227 [0,1,0,1,0,0|1,0,1]=4 1004 B12R2.18 C1C(C(C2=CC=CC=C21)O)Br PI-14453 [0,1,0,1,0,0|1,0,1]=4 1005 B12R2.18 CC1C2=C(NC1=O)N=CC=C2 PI-41265 [0,1,0,1,0,0|2,0,0]=4 1006 B12R2.18 N[C@@H]1[C@H](O)Cc2ccccc12 PI-10570 [0,1,0,1,0,0|1,0,1]=4 1007 B12R2.18 N[C@H]1[C@@H](O)Cc2c1cccc2 PI-10847 [0,1,0,1,0,0|1,0,1]=4 1008 B12R2.18 O=C1C(=O)Nc2ccccc12 PI-31744 [0,1,0,1,0,0|1,0,1]=4 1009 B12R2.18 O=C1OC2=CC=CC=C2C1C PI-37207 [0,1,0,1,0,0|0,0,0]=2 1010 B12R2.32 C1=CC=C2C(=C1)C=C(N2)CO PI-45001 [0,1,0,1,0,0|1,0,1]=4 1011 B12R2.32 C1=CC=C2C(=C1)C=C(O2)C=O PI-16469 [0,1,0,1,0,0|0,0,1]=3 1012 B12R2.32 C1=CC=C2C(=C1)C=C(S2)C=O PI-29507 [0,1,0,1,0,0|0,1,1]=4 1013 B12R2.32 C1=CC=C2C(=C1)C=C(S2)CO PI-20808 [0,1,0,1,0,0|0,1,1]=4 1014 B12R2.32 C1=CC=C2C(=C1)N=C(S2)C=O PI-14166 [0,1,0,1,0,0|1,1,0]=4 1015 B12R2.32 C1=CC=C2C(=C1)N=C(S2)CO PI-14167 [0,1,0,1,0,0|1,1,0]=4 1016 B12R2.32 C1=CC=C2C(=C1)NC(=N2)CO PI-14787 [0,1,0,1,0,0|2,0,0]=4 1017 B12R2.32 C1C(=NO)CC2=CC=CC=C21 PI-13702 [0,1,0,1,0,0|1,0,0]=3 1018 B12R2.32 CCC1=CC2=CC=CC=C2C1 PI-29198 [0,1,0,1,0,0|2,0,0]=4 1019 B12R2.32 CCC1=CC2=CC=CC=C2O1 PI-17342 [0,1,0,1,0,0|1,0,1]=4 1020 B12R2.32 CSC1=NC2=CC=CC=C2O1 PI-33936 [0,1,0,1,0,0|1,1,0]=4 1021 B12R2.32 O=Cc1cc2ccccc2[nH]1 PI-31918 [0,1,0,1,0,0|1,0,1]=4 1022 B12R2.32 O=Cc1nc2c([nH]1)cccc2 PI-14803 [0,1,0,1,0,0|2,0,0]=4 1023 B12R2.202 C1=CC(=C2C(=C1)SC(=O)N2)F PI-45347 [0,1,0,1,0,0|1,1,0]=4 1024 B12R2.202 C1=CC2=C(C(=C1)Cl)SC(=O)N2 PI-45344 [0,1,0,1,0,0|1,1,0]=4 1025 B12R2.202 C1C(=O)CC2=C1C=CC=C2Br PI-32756 [0,1,0,1,0,0|1,0,0]=3 1026 B12R2.202 C1C(=O)CC2=C1C=CC=C2Cl PI-32755 [0,1,0,1,0,0|1,0,0]=3 1027 B12R2.202 C1C2=C(C(=CC=C2)Cl)NC1=O PI-33957 [0,1,0,1,0,0|1,0,0]=3 1028 B12R2.202 CC1=C2C(=CC=C1)SC(=O)N2 PI-45350 [0,1,0,1,0,0|1,1,0]=4 1029 B12R2.202 CC=1CC2=C(C1)C(=CC=C2)Br PI-40277 [0,1,0,1,0,0|2,0,0]=4 1030 B12R2.202 CC=1CC2=C(C1)C=CC=C2Br PI-40278 [0,1,0,1,0,0|2,0,0]=4 1031 B12R2.202 O=C1NC2=C(C=CC=C2F)C1 PI-40280 [0,1,0,1,0,0|1,0,0]=3 1032 B12R2.202 Oc1sc2c(n1)c(Cl)ccc2 PI-11976 [0,1,0,1,0,0|1,1,0]=4 1033 B8R1.8 OCCC1=CSC=C1 PI-42380 [1,0,0,0,1,0|1,0,1]=4 1034 B8R1.8 OCCc1cccs1 PI-11150 [1,0,0,0,1,0|1,0,1]=4 1035 B8R1.7 C1=C(C=NO1)C(=O)O PI-14897 [0,0,0,0,2,0|2,0,0]=4 1036 B8R1.7 C1=C(NC=N1)C(=O)O PI-31349 [0,0,0,0,2,0|2,0,0]=4 1037 B8R1.7 C1=C(SC=N1)C(=O)O PI-25160 [0,0,0,0,2,0|2,0,0]=4 1038 B8R1.7 C1=CN=C(N1)C(=O)O PI-40003 [0,0,0,0,2,0|2,0,0]=4 1039 B8R1.7 C1=CNC=C1C(=O)O PI-34087 [0,0,0,0,2,0|1,0,0]=3 1040 B8R1.7 C1=CNC=C1C(=O)O PI-48299 [0,0,0,0,2,0|1,0,0]=3 1041 B8R1.7 C1=COC(=C1)C(=O)N PI-17349 [0,0,0,0,2,0|2,0,0]=4 1042 B8R1.7 C1=COC=C1C(=O)Cl PI-46981 [0,0,0,0,2,0|2,0,0]=4 1043 B8R1.7 C1=COC=C1C(=O)O PI-16502 [0,0,0,0,2,0|1,0,0]=3 1044 B8R1.7 C1=CON=C1C(=O)O PI-48871 [0,0,0,0,2,0|2,0,0]=4 1045 B8R1.7 C1=CSC(=C1)C(=O)N PI-50586 [0,0,0,0,2,0|2,0,0]=4 1046 B8R1.7 C1=CSC(=C1)C(=O)[O-] PI-11153 [0,0,0,0,2,0|1,0,1]=4 1047 B8R1.7 CC(=O)C1=CC=CN1 PI-12083 [0,0,0,0,2,0|2,0,0]=4 1048 B8R1.7 CC(=O)c1cscc1 PI-16499 [0,0,0,0,2,0|2,0,0]=4 1049 B8R1.7 ClC(=O)c1cscc1 PI-10762 [0,0,0,0,2,0|2,0,0]=4 1050 B8R1.7 OC(=O)c1c[nH]nc1 PI-32193 [0,0,0,0,2,0|2,0,0]=4 1051 B8R1.7 OC(=O)c1cc[nH]n1 PI-34779 [0,0,0,0,2,0|2,0,0]=4 1052 B8R1.7 OC(=O)c1ccc[nH]1 PI-27813 [0,0,0,0,2,0|1,0,0]=3 1053 B8R1.7 OC(=O)c1cccs1 PI-38239 [0,0,0,0,2,0|1,0,0]=3 1054 B8R1.7 OC(=O)c1ccno1 PI-29335 [0,0,0,0,2,0|2,0,0]=4 1055 B8R1.7 OC(=O)c1cocn1 PI-43182 [0,0,0,0,2,0|2,0,0]=4 1056 B8R1.7 OC(=O)c1cscc1 PI-10764 [0,0,0,0,2,0|1,0,0]=3 1057 B8R1.7 OC(=O)c1cscn1 PI-28011 [0,0,0,0,2,0|2,0,0]=4 1058 B12R1.252 C1=CC=C(C=C1)CNCC(=O)O PI-28809 [0,0,0,0,0,2|0,0,0]=2 1059 B12R1.252 C1=CC=C(C=C1)OCCC(=O)O PI-32597 [0,0,0,0,0,2|0,0,0]=2 1060 B12R1.252 CC(=O)CSCC1=CC=CC=C1 PI-12794 [0,0,0,0,0,2|1,0,0]=3 1061 B12R1.252 CC(=O)NCCC1=CC=CC=C1 PI-26960 [0,0,0,0,0,2|1,0,0]=3 1062 B12R1.252 C[C@@H](O)COCC1=CC=CC=C1 PI-42639 [0,0,0,0,0,2|1,0,1]=4 1063 B12R1.252 ClC(=O)COCc1ccccc1 PI-35826 [0,0,0,0,0,2|1,0,0]=3 1064 B12R1.252 OC(=O)CCCc1ccccc1 PI-29265 [0,0,0,0,0,2|0,0,0]=2 1065 B12R1.252 OC(=O)CNCc1ccccc1 PI-27252 [0,0,0,0,0,2|0,0,0]=2 1066 B12R1.252 OC(=O)COCc1ccccc1 PI-33690 [0,0,0,0,0,2|0,0,0]=2 1067 B12R1.252 [O-]C(=O)CCCc1ccccc1 PI-38535 [0,0,0,0,0,2|0,0,1]=3