0 B10R1.15 CC(c1cccnc1)NC CB11165 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.15 CCC(=O)c1ccccn1 AB01373 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.15 CCC(=O)c1cnccn1 PB23991 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.15 CNC(=O)c1cnccn1 AB70331 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.15 COC(=N)c1cnccn1 AB61004 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.15 COC(=O)C1=CCOCC1 PB14958 [0,0,0,0,0,0|1,0,3]=4 6 B10R1.15 COC(=O)c1cccnn1 PB28168 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.15 COC(=O)c1ccncn1 PB15680 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.15 COC(=O)c1ccnnc1 PB31452 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.15 COC(=O)c1cncnc1 PB15822 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.15 COC(=O)c1ncccn1 PB20045 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.15 C[C@@H](CN)c1ccccc1 AB04898 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.15 C[C@H](CN)c1ccccc1 AB04902 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.15 c1cc(cnc1)C(=O)C=O AB62325 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.15 c1cc(cnc1)C(=O)CBr AB02174 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.15 c1cc(cnc1)C(=O)CBr AB44461 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.15 c1cc(cnc1)C(=O)CCl MB06839 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.15 c1ccc(cc1)C(=O)C=O AB00817 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.15 c1ccc(cc1)C(=O)C=O AB03966 [0,0,0,0,0,0|2,0,0]=2 19 B10R1.15 c1ccc(cc1)C(=O)NN AB00887 [0,0,0,0,0,0|2,0,0]=2 20 B10R1.15 c1ccnc(c1)C(=O)C=O AB62330 [0,0,0,0,0,0|3,0,0]=3 21 B10R1.15 c1ccnc(c1)C(=O)CBr AB23665 [0,0,0,0,0,0|3,0,0]=3 22 B10R1.15 c1cnc(cn1)C(=O)NN AB07083 [0,0,0,0,0,0|4,0,0]=4 23 B10R1.15 c1cnccc1C(=O)C=O AB62328 [0,0,0,0,0,0|3,0,0]=3 24 B10R1.15 c1cnccc1C(=O)CBr AB12154 [0,0,0,0,0,0|3,0,0]=3 25 B10R1.15 c1cncnc1C(=O)NN AB28062 [0,0,0,0,0,0|4,0,0]=4 26 B9R1.6 B(c1cccnc1)(O)O AB17635 [1,0,0,0,0,0|2,0,1]=4 27 B9R1.6 B(c1cccnc1)(O)O PB14187 [1,0,0,0,0,0|2,0,1]=4 28 B9R1.6 B(c1ccncc1)(O)O AB23111 [1,0,0,0,0,0|2,0,1]=4 29 B9R1.6 B(c1ccncc1)(O)O PB29133 [1,0,0,0,0,0|2,0,1]=4 30 B9R1.6 C=C(c1ccccn1)Br AB31950 [1,0,0,0,0,0|2,0,1]=4 31 B9R1.6 CC(=O)c1ccccn1 AB00686 [1,0,0,0,0,0|1,0,0]=2 32 B9R1.6 CC(=O)c1cccnc1 AB00750 [1,0,0,0,0,0|1,0,0]=2 33 B9R1.6 CC(=O)c1cccnn1 PB16551 [1,0,0,0,0,0|2,0,0]=3 34 B9R1.6 CC(=O)c1ccncc1 AB00760 [1,0,0,0,0,0|1,0,0]=2 35 B9R1.6 CC(=O)c1ccncn1 PB17606 [1,0,0,0,0,0|2,0,0]=3 36 B9R1.6 CC(=O)c1ccnnc1 PB26895 [1,0,0,0,0,0|2,0,0]=3 37 B9R1.6 CC(=O)c1cnccn1 AB00602 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.6 CC(=O)c1cncnc1 PB20327 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.6 CC(=O)c1ncccn1 PB34295 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.6 CC(C)c1ccccn1 PB21659 [1,0,0,0,0,0|2,0,1]=4 41 B9R1.6 CC(c1ccccc1)Cl AB01249 [1,0,0,0,0,0|1,0,1]=3 42 B9R1.6 CC(c1ccccn1)N AB21604 [1,0,0,0,0,0|2,0,1]=4 43 B9R1.6 CC(c1cccnc1)N AB09764 [1,0,0,0,0,0|2,0,1]=4 44 B9R1.6 CC(c1ccncc1)N AB11609 [1,0,0,0,0,0|2,0,1]=4 45 B9R1.6 C[C@@H](c1cccnc1)N AB49737 [1,0,0,0,0,0|2,0,1]=4 46 B9R1.6 C[C@@H](c1ccncc1)N AB49749 [1,0,0,0,0,0|2,0,1]=4 47 B9R1.6 C[C@H](c1cccnc1)N AB49734 [1,0,0,0,0,0|2,0,1]=4 48 B9R1.6 C[C@H](c1ccncc1)N AB49745 [1,0,0,0,0,0|2,0,1]=4 49 B9R1.6 c1c(cncn1)C(=O)O PB23195 [1,0,0,0,0,0|2,0,0]=3 50 B9R1.6 c1c(ncnn1)C(=O)O AB72448 [1,0,0,0,0,0|3,0,0]=4 51 B9R1.6 c1cc(nnc1)C(=O)O PB21767 [1,0,0,0,0,0|2,0,0]=3 52 B9R1.6 c1ccc(cc1)C(=N)N AB01943 [1,0,0,0,0,0|2,0,0]=3 53 B9R1.6 c1ccnc(c1)C(=N)N MB00460 [1,0,0,0,0,0|3,0,0]=4 54 B9R1.6 c1ccnc(c1)C(=O)O AB00685 [1,0,0,0,0,0|1,0,0]=2 55 B9R1.6 c1ccnc(c1)C(=S)N AB03215 [1,0,0,0,0,0|2,1,0]=4 56 B9R1.6 c1cnc(cn1)C(=O)O PB27363 [1,0,0,0,0,0|2,0,0]=3 57 B9R1.6 c1cnc(nc1)C(=O)O PB18516 [1,0,0,0,0,0|2,0,0]=3 58 B9R1.6 c1cnccc1C(=N)N MB02852 [1,0,0,0,0,0|3,0,0]=4 59 B9R1.6 c1cnccc1C(=O)O AB00757 [1,0,0,0,0,0|1,0,0]=2 60 B9R1.6 c1cnccc1C(=S)N AB00764 [1,0,0,0,0,0|2,1,0]=4 61 B9R1.6 c1cncnc1C(=O)O PB29023 [1,0,0,0,0,0|2,0,0]=3 62 B9R1.6 c1cnnc(n1)C(=O)O AB48886 [1,0,0,0,0,0|3,0,0]=4 63 B9R1.6 c1cnncc1C(=O)O PB17054 [1,0,0,0,0,0|2,0,0]=3 64 B9R1.6 c1ncnc(n1)C(=O)O AB60791 [1,0,0,0,0,0|3,0,0]=4 65 B9R1.8 CNCc1ccccn1 AB10674 [1,0,0,0,0,0|2,0,1]=4 66 B9R1.8 CNCc1cccnc1 AB01384 [1,0,0,0,0,0|2,0,1]=4 67 B9R1.8 CNCc1ccncc1 AB02721 [1,0,0,0,0,0|2,0,1]=4 68 B9R1.8 c1ccc(cc1)NC#N MB01061 [1,0,0,0,0,0|3,0,0]=4 69 B9R1.8 c1ccc(cc1)\C=C\Br AB00116 [1,0,0,0,0,0|2,0,0]=3 70 B9R1.8 c1ccc(cc1)\C=N/O AB02488 [1,0,0,0,0,0|2,0,0]=3 71 B11R1.12 B(c1ccccn1)(OC)OC AB14373 [0,1,0,0,0,0|2,0,1]=4 72 B11R1.12 B(c1cccnc1)(OC)OC AB09365 [0,1,0,0,0,0|2,0,1]=4 73 B11R1.16 CCOC(=O)c1cccnc1 AB00748 [0,1,0,0,0,0|1,0,0]=2 74 B11R1.16 CCOC(=O)c1ccncn1 AB52728 [0,1,0,0,0,0|2,0,0]=3 75 B11R1.16 CCOC(=O)c1cncnn1 AB72449 [0,1,0,0,0,0|3,0,0]=4 76 B11R1.16 CCOC(=O)c1cnncn1 AB66560 [0,1,0,0,0,0|3,0,0]=4 77 B11R1.16 CCOC(=O)c1nccnn1 AB56211 [0,1,0,0,0,0|3,0,0]=4 78 B11R1.16 CCOC(=O)c1ncncn1 AB66563 [0,1,0,0,0,0|3,0,0]=4 79 B11R1.16 CN(CCBr)c1ccccc1 AB60657 [0,1,0,0,0,0|3,0,0]=4 80 B11R1.16 CN(CCN)c1ccccc1 AB02070 [0,1,0,0,0,0|3,0,0]=4 81 B11R1.16 CNCC(=O)c1ccccc1 AB16229 [0,1,0,0,0,0|1,0,0]=2 82 B11R1.16 c1ccc(cc1)C(=O)OCCl AB01791 [0,1,0,0,0,0|0,0,0]=1 83 B11R1.16 c1ccc(cc1)C(CCO)N AB07310 [0,1,0,0,0,0|2,0,1]=4 84 B11R1.22 CCC(=O)c1ccc(cn1)Br AB68534 [0,1,0,0,0,0|2,0,0]=3 85 B11R1.22 CNC(=O)c1ccc(cc1)O MB02709 [0,1,0,0,0,0|1,0,0]=2 86 B11R1.22 CNC(=O)c1ccc(cn1)O MB11446 [0,1,0,0,0,0|2,0,0]=3 87 B11R1.22 CNC(=O)c1ccc(nc1)Br MB07978 [0,1,0,0,0,0|2,0,0]=3 88 B11R1.22 CNC(=O)c1ccc(nn1)Cl MB11670 [0,1,0,0,0,0|3,0,0]=4 89 B11R1.22 CNC(=O)c1cnc(cn1)Br MB14257 [0,1,0,0,0,0|3,0,0]=4 90 B11R1.22 COC(=N)c1ccc(cc1)F AB60956 [0,1,0,0,0,0|1,0,0]=2 91 B11R1.22 COC(=N)c1ccc(cc1)N AB60980 [0,1,0,0,0,0|1,0,0]=2 92 B11R1.22 COC(=N)c1ccc(cc1)O AB01949 [0,1,0,0,0,0|1,0,0]=2 93 B11R1.22 COC(=O)c1ccc(cn1)Br PB29312 [0,1,0,0,0,0|1,0,0]=2 94 B11R1.22 COC(=O)c1ccc(cn1)Cl AB51080 [0,1,0,0,0,0|1,0,0]=2 95 B11R1.22 COC(=O)c1ccc(cn1)N PB26290 [0,1,0,0,0,0|1,0,0]=2 96 B11R1.22 COC(=O)c1ccc(cn1)O PB27686 [0,1,0,0,0,0|1,0,0]=2 97 B11R1.22 COC(=O)c1ccc(nc1)Br PB29326 [0,1,0,0,0,0|1,0,0]=2 98 B11R1.22 COC(=O)c1ccc(nc1)N PB19892 [0,1,0,0,0,0|1,0,0]=2 99 B11R1.22 COC(=O)c1ccc(nc1)O PB34296 [0,1,0,0,0,0|1,0,0]=2 100 B11R1.22 COC(=O)c1ccc(nn1)Br MB13587 [0,1,0,0,0,0|2,0,0]=3 101 B11R1.22 COC(=O)c1ccc(nn1)Cl PB18925 [0,1,0,0,0,0|2,0,0]=3 102 B11R1.22 COC(=O)c1ccc(nn1)N PB33362 [0,1,0,0,0,0|2,0,0]=3 103 B11R1.22 COC(=O)c1ccc(nn1)O PB13716 [0,1,0,0,0,0|2,0,0]=3 104 B11R1.22 COC(=O)c1cnc(cn1)Br MB08354 [0,1,0,0,0,0|2,0,0]=3 105 B11R1.22 COC(=O)c1cnc(cn1)Cl PB33958 [0,1,0,0,0,0|2,0,0]=3 106 B11R1.22 COC(=O)c1cnc(cn1)N PB12687 [0,1,0,0,0,0|2,0,0]=3 107 B11R1.22 COC(=O)c1cnc(cn1)O PB32586 [0,1,0,0,0,0|2,0,0]=3 108 B11R1.22 COC(=O)c1cnc(nc1)Br MB14326 [0,1,0,0,0,0|2,0,0]=3 109 B11R1.22 COC(=O)c1cnc(nc1)Cl PB17570 [0,1,0,0,0,0|2,0,0]=3 110 B11R1.22 COC(=O)c1cnc(nc1)N PB27896 [0,1,0,0,0,0|2,0,0]=3 111 B11R1.22 COC(=O)c1ncc(cn1)Br PB26634 [0,1,0,0,0,0|2,0,0]=3 112 B11R1.22 COC(=O)c1ncc(cn1)N PB10524 [0,1,0,0,0,0|2,0,0]=3 113 B11R1.22 COC(=O)c1ncc(cn1)N PB37109 [0,1,0,0,0,0|2,0,0]=3 114 B11R1.22 COS(=O)c1ccc(cc1)Cl AB45287 [0,1,0,0,0,0|1,0,0]=2 115 B11R1.22 Cc1ccc(cc1)C(=O)C=O AB05249 [0,1,0,0,0,0|2,0,0]=3 116 B11R1.22 Cc1ccc(cc1)C(=O)C=O AB05288 [0,1,0,0,0,0|2,0,0]=3 117 B11R1.22 Cc1cnc(nc1)C(=O)OC PB28603 [0,1,0,0,0,0|2,0,0]=3 118 B11R1.22 Cc1ncc(cn1)C(=O)OC PB10888 [0,1,0,0,0,0|2,0,0]=3 119 B11R1.22 c1cc(ccc1C(=O)C#N)Br MB00883 [0,1,0,0,0,0|2,0,0]=3 120 B11R1.22 c1cc(ccc1C(=O)C=O)Br AB07939 [0,1,0,0,0,0|2,0,0]=3 121 B11R1.22 c1cc(ccc1C(=O)C=O)Br AB49987 [0,1,0,0,0,0|2,0,0]=3 122 B11R1.22 c1cc(ccc1C(=O)C=O)Cl AB44429 [0,1,0,0,0,0|2,0,0]=3 123 B11R1.22 c1cc(ccc1C(=O)C=O)F AB09010 [0,1,0,0,0,0|2,0,0]=3 124 B11R1.22 c1cc(ccc1C(=O)C=O)O AB02263 [0,1,0,0,0,0|2,0,0]=3 125 B11R1.22 c1cc(ccc1C(=O)CN)Br CB10172 [0,1,0,0,0,0|2,0,0]=3 126 B11R1.22 c1cc(ccc1C(=O)CO)F MB02453 [0,1,0,0,0,0|2,0,0]=3 127 B11R1.22 c1cc(ncc1Br)C(=O)CBr AB69651 [0,1,0,0,0,0|3,0,0]=4 128 B11R1.22 c1cc(ncc1C(=O)CBr)Cl AB13128 [0,1,0,0,0,0|3,0,0]=4 129 B11R1.22 c1cc(ncc1Cl)C(=O)CBr AB60184 [0,1,0,0,0,0|3,0,0]=4 130 B11R1.23 CNC(=O)c1cc(ccn1)Br MB13829 [0,1,0,0,0,0|2,0,0]=3 131 B11R1.23 CNC(=O)c1cc(ccn1)Cl AB11548 [0,1,0,0,0,0|2,0,0]=3 132 B11R1.23 CNC(=O)c1cc(ccn1)N AB65387 [0,1,0,0,0,0|2,0,0]=3 133 B11R1.23 CNC(=O)c1cc(ccn1)O MB25398 [0,1,0,0,0,0|2,0,0]=3 134 B11R1.23 CNC(=O)c1cc(cnc1)Br MB02044 [0,1,0,0,0,0|2,0,0]=3 135 B11R1.23 CNC(=O)c1cc(cnc1)O MB25513 [0,1,0,0,0,0|2,0,0]=3 136 B11R1.23 CNC(=O)c1cccc(c1)O MB06615 [0,1,0,0,0,0|1,0,0]=2 137 B11R1.23 CNC(=O)c1cccc(n1)Br MB08958 [0,1,0,0,0,0|2,0,0]=3 138 B11R1.23 CNC(=O)c1ccnc(c1)Br MB02752 [0,1,0,0,0,0|2,0,0]=3 139 B11R1.23 CNC(=O)c1cncc(n1)Br MB14297 [0,1,0,0,0,0|3,0,0]=4 140 B11R1.23 COC(=N)c1cccc(c1)Br AB60887 [0,1,0,0,0,0|1,0,0]=2 141 B11R1.23 COC(=N)c1cccc(c1)Cl AB60959 [0,1,0,0,0,0|1,0,0]=2 142 B11R1.23 COC(=N)c1cccc(c1)N AB60976 [0,1,0,0,0,0|1,0,0]=2 143 B11R1.23 COC(=N)c1cccc(c1)O AB60982 [0,1,0,0,0,0|1,0,0]=2 144 B11R1.23 COC(=O)c1cc(ccn1)Br PB30917 [0,1,0,0,0,0|1,0,0]=2 145 B11R1.23 COC(=O)c1cc(ccn1)Cl AB20667 [0,1,0,0,0,0|1,0,0]=2 146 B11R1.23 COC(=O)c1cc(ccn1)Cl PB18698 [0,1,0,0,0,0|1,0,0]=2 147 B11R1.23 COC(=O)c1cc(ccn1)F AB40664 [0,1,0,0,0,0|1,0,0]=2 148 B11R1.23 COC(=O)c1cc(ccn1)O AB65280 [0,1,0,0,0,0|1,0,0]=2 149 B11R1.23 COC(=O)c1cc(cnc1)Br PB10112 [0,1,0,0,0,0|1,0,0]=2 150 B11R1.23 COC(=O)c1cc(cnc1)F PB12769 [0,1,0,0,0,0|1,0,0]=2 151 B11R1.23 COC(=O)c1cc(cnc1)N PB12793 [0,1,0,0,0,0|1,0,0]=2 152 B11R1.23 COC(=O)c1cc(cnc1)O AB04590 [0,1,0,0,0,0|1,0,0]=2 153 B11R1.23 COC(=O)c1cc(ncn1)Br MB14353 [0,1,0,0,0,0|2,0,0]=3 154 B11R1.23 COC(=O)c1cc(nnc1)Cl PB31801 [0,1,0,0,0,0|2,0,0]=3 155 B11R1.23 COC(=O)c1cc[nH]c(=O)c1 PB32713 [0,1,0,0,0,0|1,0,0]=2 156 B11R1.23 COC(=O)c1cccc(c1)Cl AB00128 [0,1,0,0,0,0|0,0,0]=1 157 B11R1.23 COC(=O)c1cccc(n1)Br AB23211 [0,1,0,0,0,0|1,0,0]=2 158 B11R1.23 COC(=O)c1cccc(n1)Cl MB00777 [0,1,0,0,0,0|1,0,0]=2 159 B11R1.23 COC(=O)c1cccc(n1)I AB42501 [0,1,0,0,0,0|1,0,0]=2 160 B11R1.23 COC(=O)c1cccc(n1)N PB25993 [0,1,0,0,0,0|1,0,0]=2 161 B11R1.23 COC(=O)c1ccnc(c1)Br AB16210 [0,1,0,0,0,0|1,0,0]=2 162 B11R1.23 COC(=O)c1ccnc(c1)Cl PB12260 [0,1,0,0,0,0|1,0,0]=2 163 B11R1.23 COC(=O)c1ccnc(c1)I AB43759 [0,1,0,0,0,0|1,0,0]=2 164 B11R1.23 COC(=O)c1ccnc(c1)N PB29300 [0,1,0,0,0,0|1,0,0]=2 165 B11R1.23 COC(=O)c1ccnc(n1)Br MB14325 [0,1,0,0,0,0|2,0,0]=3 166 B11R1.23 COC(=O)c1ccnc(n1)Cl PB23898 [0,1,0,0,0,0|2,0,0]=3 167 B11R1.23 COC(=O)c1cncc(n1)Cl PB17754 [0,1,0,0,0,0|2,0,0]=3 168 B11R1.23 COC(=O)c1cncc(n1)N AB60529 [0,1,0,0,0,0|2,0,0]=3 169 B11R1.23 COC(=O)c1nccc(n1)Br MB13584 [0,1,0,0,0,0|2,0,0]=3 170 B11R1.23 Cc1cc(ccn1)C(=O)OC AB55692 [0,1,0,0,0,0|1,0,0]=2 171 B11R1.23 Cc1cc(cnc1)C(=O)OC PB14201 [0,1,0,0,0,0|1,0,0]=2 172 B11R1.23 Cc1cc(ncn1)C(=O)OC PB28486 [0,1,0,0,0,0|2,0,0]=3 173 B11R1.23 c1cc(cc(c1)Br)C(=O)C=O AB45356 [0,1,0,0,0,0|2,0,0]=3 174 B11R1.23 c1cc(cc(c1)Br)C(=O)C=O AB48671 [0,1,0,0,0,0|2,0,0]=3 175 B11R1.23 c1cc(cc(c1)Cl)C(=O)C#N MB03014 [0,1,0,0,0,0|2,0,0]=3 176 B11R1.23 c1cc(cc(c1)Cl)C(=O)C=O AB48675 [0,1,0,0,0,0|2,0,0]=3 177 B11R1.23 c1cc(cc(c1)F)C(=O)C=O AB29976 [0,1,0,0,0,0|2,0,0]=3 178 B11R1.23 c1cc(cc(c1)N)C(=O)CBr AB27803 [0,1,0,0,0,0|2,0,0]=3 179 B11R1.23 c1cc(nc(c1)I)C(=O)NN AB42520 [0,1,0,0,0,0|3,0,0]=4 180 B11R1.23 c1cnc(cc1C(=O)CBr)Cl AB51068 [0,1,0,0,0,0|3,0,0]=4 181 B11R1.23 c1cnc(cc1C(=O)NN)Cl PB13037 [0,1,0,0,0,0|3,0,0]=4 182 B11R1.23 c1cnc(cc1C(=O)NN)N AB16208 [0,1,0,0,0,0|3,0,0]=4 183 B11R1.23 c1cnc(cc1Cl)C(=O)NN AB09802 [0,1,0,0,0,0|3,0,0]=4 184 B11R1.36 B(C(=C)c1ccccc1)(O)O AB08051 [0,1,0,0,0,0|3,0,0]=4 185 B11R1.36 CN(C)C(=O)c1cccnc1 MB00495 [0,1,0,0,0,0|2,0,0]=3 186 B11R1.222 CCC(=O)c1ccccc1F MB00205 [0,1,0,0,0,0|1,0,0]=2 187 B11R1.222 CNC(=O)c1c(cccn1)O MB12020 [0,1,0,0,0,0|2,0,0]=3 188 B11R1.222 CNC(=O)c1ccccc1O MB00422 [0,1,0,0,0,0|1,0,0]=2 189 B11R1.222 CNC(=O)c1ccncc1O MB25570 [0,1,0,0,0,0|2,0,0]=3 190 B11R1.222 CNC(=O)c1cnccc1O MB38207 [0,1,0,0,0,0|2,0,0]=3 191 B11R1.222 COC(=N)c1ccccc1Cl AB60968 [0,1,0,0,0,0|1,0,0]=2 192 B11R1.222 COC(=N)c1ccccc1F AB60966 [0,1,0,0,0,0|1,0,0]=2 193 B11R1.222 COC(=N)c1ccccc1O AB60984 [0,1,0,0,0,0|1,0,0]=2 194 B11R1.222 COC(=O)C1C=CN=NC1=O PB26960 [0,1,0,0,0,0|2,0,1]=4 195 B11R1.222 COC(=O)c1c(cccn1)Br PB13499 [0,1,0,0,0,0|1,0,0]=2 196 B11R1.222 COC(=O)c1c(cccn1)N AB48413 [0,1,0,0,0,0|1,0,0]=2 197 B11R1.222 COC(=O)c1c(nccn1)Br PB16076 [0,1,0,0,0,0|2,0,0]=3 198 B11R1.222 COC(=O)c1c(nccn1)Cl PB15729 [0,1,0,0,0,0|2,0,0]=3 199 B11R1.222 COC(=O)c1c(nccn1)O AB13230 [0,1,0,0,0,0|2,0,0]=3 200 B11R1.222 COC(=O)c1cccnc1Br AB31400 [0,1,0,0,0,0|1,0,0]=2 201 B11R1.222 COC(=O)c1cccnc1Cl PB12739 [0,1,0,0,0,0|1,0,0]=2 202 B11R1.222 COC(=O)c1cccnc1O AB44640 [0,1,0,0,0,0|1,0,0]=2 203 B11R1.222 COC(=O)c1ccncc1Br PB14358 [0,1,0,0,0,0|1,0,0]=2 204 B11R1.222 COC(=O)c1ccncc1I PB10250 [0,1,0,0,0,0|1,0,0]=2 205 B11R1.222 COC(=O)c1ccncc1N PB21166 [0,1,0,0,0,0|1,0,0]=2 206 B11R1.222 COC(=O)c1cnccc1Cl AB56385 [0,1,0,0,0,0|1,0,0]=2 207 B11R1.222 COC(=O)c1cnccc1F AB70564 [0,1,0,0,0,0|1,0,0]=2 208 B11R1.222 COC(=O)c1cnccc1N PB32232 [0,1,0,0,0,0|1,0,0]=2 209 B11R1.222 COC(=O)c1cncnc1N AB70459 [0,1,0,0,0,0|2,0,0]=3 210 B11R1.222 C\C(=N/N)\c1ccccc1O AB84931 [0,1,0,0,0,0|3,0,0]=4 211 B11R1.222 Cc1c(nccn1)C(=O)OC AB48626 [0,1,0,0,0,0|2,0,0]=3 212 B11R1.222 Cc1ccccc1C(=O)OC AB00946 [0,1,0,0,0,0|0,0,0]=1 213 B11R1.222 Cc1cccnc1C(=O)OC AB16147 [0,1,0,0,0,0|1,0,0]=2 214 B11R1.222 Cc1cnccc1C(=O)OC PB29263 [0,1,0,0,0,0|1,0,0]=2 215 B11R1.222 Cc1cnncc1C(=O)OC PB35502 [0,1,0,0,0,0|2,0,0]=3 216 B11R1.222 c1cc(c(nc1)Cl)C(=O)CBr AB69728 [0,1,0,0,0,0|3,0,0]=4 217 B11R1.222 c1ccc(c(c1)C(=O)C#N)Cl MB02595 [0,1,0,0,0,0|2,0,0]=3 218 B11R1.222 c1ccc(c(c1)C(=O)C=O)Cl AB55316 [0,1,0,0,0,0|2,0,0]=3 219 B11R1.222 c1ccc(c(c1)C(=O)C=O)F AB49795 [0,1,0,0,0,0|2,0,0]=3 220 B11R1.222 c1ccc(c(c1)\C(=N\O)\Cl)Cl AB10513 [0,1,0,0,0,0|3,0,0]=4 221 B11R2.1 B1(c2ccccc2CO1)O AB08148 [0,0,0,1,0,0|1,0,1]=3 222 B11R2.1 CN1CCc2c1cccc2 MB02030 [0,0,0,1,0,0|3,0,0]=4 223 B11R2.1 c1cc2c(nc1)C(=O)OC2 AB66596 [0,0,0,1,0,0|1,0,0]=2 224 B11R2.1 c1cc2c(nc1)CCC2=O PB12461 [0,0,0,1,0,0|2,0,0]=3 225 B11R2.1 c1cc2c(nc1)OCC2=O AB70107 [0,0,0,1,0,0|3,0,0]=4 226 B11R2.1 c1ccc2c(c1)C(=O)CO2 AB02144 [0,0,0,1,0,0|2,0,0]=3 227 B11R2.1 c1ccc2c(c1)C(=O)N=N2 MB00163 [0,0,0,1,0,0|2,0,0]=3 228 B11R2.1 c1ccc2c(c1)CCC2N AB00328 [0,0,0,1,0,0|2,0,1]=4 229 B11R2.1 c1ccc2c(c1)CCN2N MB03088 [0,0,0,1,0,0|3,0,0]=4 230 B11R2.1 c1ccc2c(c1)CC[C@@H]2N AB04896 [0,0,0,1,0,0|2,0,1]=4 231 B11R2.1 c1ccc2c(c1)CC[C@H]2N AB04893 [0,0,0,1,0,0|2,0,1]=4 232 B11R2.1 c1ccc2c(c1)CNC2=O AB13096 [0,0,0,1,0,0|1,0,0]=2 233 B11R2.1 c1ccc2c(c1)c(co2)Br MB01644 [0,0,0,1,0,0|3,0,0]=4 234 B11R2.1 c1ccc2c(c1)c(no2)Cl MB02698 [0,0,0,1,0,0|3,0,0]=4 235 B11R2.1 c1cncc2c1C(=O)NC2 AB66595 [0,0,0,1,0,0|2,0,0]=3 236 B11R2.1 c1cncc2c1CNC2=O PB33122 [0,0,0,1,0,0|2,0,0]=3 237 B11R2.40 c1ccc(cc1)C2(CC2)N AB22505 [0,0,0,1,0,0|2,0,1]=4 238 B9R1.11 COC(=O)C1=CN=CC1 AB07842 [0,0,0,0,1,0|1,0,1]=3 239 B9R1.11 COC(=O)C1=CN=NC1 AB44633 [0,0,0,0,1,0|2,0,1]=4 240 B9R1.11 COC(=O)C1=CN=NC1 PB24659 [0,0,0,0,1,0|2,0,1]=4 241 B9R1.11 COC(=O)C1=NC=NC1 PB18686 [0,0,0,0,1,0|2,0,1]=4 242 B9R1.11 COC(=O)C1=NN=CC1 PB10159 [0,0,0,0,1,0|2,0,1]=4 243 B9R1.11 COC(=O)c1[nH]ccn1 PB18713 [0,0,0,0,1,0|2,0,0]=3 244 B9R1.11 COC(=O)c1ccsc1 PB18711 [0,0,0,0,1,0|1,0,0]=2 245 B9R1.11 COC(=O)c1cncs1 AB16044 [0,0,0,0,1,0|2,0,0]=3 246 B9R1.11 COC(=O)c1cnoc1 AB39248 [0,0,0,0,1,0|2,0,0]=3 247 B9R1.11 COC(=O)c1cscn1 AB25133 [0,0,0,0,1,0|2,0,0]=3 248 B9R1.11 COC(=O)c1ncco1 AB42108 [0,0,0,0,1,0|2,0,0]=3 249 B9R1.11 c1cc(oc1)C(=O)C=O AB04785 [0,0,0,0,1,0|3,0,0]=4 250 B9R1.11 c1cc(oc1)C(=O)C=O AB49990 [0,0,0,0,1,0|3,0,0]=4 251 B9R1.11 c1cc(sc1)C(=O)C=O AB48645 [0,0,0,0,1,0|3,0,0]=4 252 B9R1.11 c1cc(sc1)C(=O)O[Cu] AB11500 [0,0,0,0,1,0|2,0,0]=3 253 B9R1.11 c1cocc1C(=O)NN MB02283 [0,0,0,0,1,0|3,0,0]=4 254 B9R1.11 c1cscc1C(=O)NN MB01758 [0,0,0,0,1,0|3,0,0]=4 255 B11R1.40 COC(=N)Cc1ccccc1 AB01554 [0,0,0,0,0,1|1,0,0]=2 256 B11R1.40 COC(=O)Cc1ccccn1 PB18397 [0,0,0,0,0,1|1,0,0]=2 257 B11R1.40 COC(=O)Cc1cccnc1 PB30559 [0,0,0,0,0,1|1,0,0]=2 258 B11R1.40 COC(=O)Cc1cccnn1 PB10290 [0,0,0,0,0,1|2,0,0]=3 259 B11R1.40 COC(=O)Cc1ccncc1 PB12720 [0,0,0,0,0,1|1,0,0]=2 260 B11R1.40 COC(=O)Cc1ccncn1 PB21336 [0,0,0,0,0,1|2,0,0]=3 261 B11R1.40 COC(=O)Cc1ccnnc1 PB28638 [0,0,0,0,0,1|2,0,0]=3 262 B11R1.40 COC(=O)Cc1cnccn1 PB20098 [0,0,0,0,0,1|2,0,0]=3 263 B11R1.40 c1ccc(cc1)CC(=O)C=O AB50241 [0,0,0,0,0,1|2,0,0]=3 264 B8R1.2 CNc1cccnc1 AB09114 [2,0,0,0,0,0|2,0,0]=4 265 B8R1.2 COc1cccnc1 AB06864 [2,0,0,0,0,0|1,0,0]=3 266 B8R1.2 COc1cccnn1 AB05130 [2,0,0,0,0,0|2,0,0]=4 267 B8R1.2 COc1ccnnc1 AB44150 [2,0,0,0,0,0|2,0,0]=4 268 B8R1.2 c1c(cncn1)C=O PB32342 [2,0,0,0,0,0|2,0,0]=4 269 B8R1.2 c1cc(cnc1)C=O AB00744 [2,0,0,0,0,0|1,0,0]=3 270 B8R1.2 c1cc(nnc1)C=O PB20119 [2,0,0,0,0,0|2,0,0]=4 271 B8R1.2 c1ccnc(c1)C=O AB00680 [2,0,0,0,0,0|1,0,0]=3 272 B8R1.2 c1cnc(cn1)C=O PB19982 [2,0,0,0,0,0|2,0,0]=4 273 B8R1.2 c1cnc(nc1)C=O PB34235 [2,0,0,0,0,0|2,0,0]=4 274 B8R1.2 c1cnccc1C=O AB00754 [2,0,0,0,0,0|1,0,0]=3 275 B8R1.2 c1cnccc1ON AB31585 [2,0,0,0,0,0|2,0,0]=4 276 B8R1.2 c1cncnc1C=O AB16150 [2,0,0,0,0,0|2,0,0]=4 277 B8R1.2 c1cnncc1C=O PB17346 [2,0,0,0,0,0|2,0,0]=4 278 B10R1.13 B(c1ccc(cc1)Br)(O)O AB00202 [1,1,0,0,0,0|1,0,1]=4 279 B10R1.13 B(c1ccc(cc1)C)(O)O AB01767 [1,1,0,0,0,0|1,0,1]=4 280 B10R1.13 B(c1ccc(cc1)Cl)(O)O AB01763 [1,1,0,0,0,0|1,0,1]=4 281 B10R1.13 B(c1ccc(cc1)F)(O)O AB01761 [1,1,0,0,0,0|1,0,1]=4 282 B10R1.13 B(c1ccc(cc1)I)(O)O AB08832 [1,1,0,0,0,0|1,0,1]=4 283 B10R1.13 B(c1ccc(cc1)N)(O)O AB08102 [1,1,0,0,0,0|1,0,1]=4 284 B10R1.13 B(c1ccc(cc1)O)(O)O AB08076 [1,1,0,0,0,0|1,0,1]=4 285 B10R1.13 B(c1ccc(cc1)S)(O)O AB13276 [1,1,0,0,0,0|1,0,1]=4 286 B10R1.13 CC(=C)c1ccc(cc1)O CB10241 [1,1,0,0,0,0|1,0,0]=3 287 B10R1.13 CC(=O)c1ccc(cn1)Br AB21518 [1,1,0,0,0,0|1,0,0]=3 288 B10R1.13 CC(=O)c1ccc(cn1)Cl AB41101 [1,1,0,0,0,0|1,0,0]=3 289 B10R1.13 CC(=O)c1ccc(cn1)F AB62503 [1,1,0,0,0,0|1,0,0]=3 290 B10R1.13 CC(=O)c1ccc(cn1)N AB60315 [1,1,0,0,0,0|1,0,0]=3 291 B10R1.13 CC(=O)c1ccc(cn1)O AB60308 [1,1,0,0,0,0|1,0,0]=3 292 B10R1.13 CC(=O)c1ccc(nc1)Br AB21520 [1,1,0,0,0,0|1,0,0]=3 293 B10R1.13 CC(=O)c1ccc(nc1)Cl AB14033 [1,1,0,0,0,0|1,0,0]=3 294 B10R1.13 CC(=O)c1ccc(nc1)F AB41115 [1,1,0,0,0,0|1,0,0]=3 295 B10R1.13 CC(=O)c1ccc(nc1)N AB49552 [1,1,0,0,0,0|1,0,0]=3 296 B10R1.13 CC(=O)c1ccc(nc1)O AB60297 [1,1,0,0,0,0|1,0,0]=3 297 B10R1.13 CC(=O)c1ccc(nn1)Cl PB20488 [1,1,0,0,0,0|2,0,0]=4 298 B10R1.13 CC(=O)c1cnc(cn1)Cl AB65450 [1,1,0,0,0,0|2,0,0]=4 299 B10R1.13 CC(=O)c1cnc(nc1)Cl AB59098 [1,1,0,0,0,0|2,0,0]=4 300 B10R1.13 CC(=O)c1ncc(cn1)Br PB34979 [1,1,0,0,0,0|2,0,0]=4 301 B10R1.13 CC(=O)c1ncc(cn1)F PB24344 [1,1,0,0,0,0|2,0,0]=4 302 B10R1.13 CN(C)c1ccc(cc1)O CB10546 [1,1,0,0,0,0|2,0,0]=4 303 B10R1.13 CN(C)c1ccc(cc1)O MB02001 [1,1,0,0,0,0|2,0,0]=4 304 B10R1.13 Cc1ccc(cc1)C(=N)N AB01792 [1,1,0,0,0,0|2,0,0]=4 305 B10R1.13 Cc1ccc(cc1)C(=S)N AB04365 [1,1,0,0,0,0|1,1,0]=4 306 B10R1.13 Cc1ccc(cn1)C(=O)C AB03568 [1,1,0,0,0,0|1,0,0]=3 307 B10R1.13 Cc1ccc(cn1)C(=O)Cl AB44670 [1,1,0,0,0,0|2,0,0]=4 308 B10R1.13 Cc1ccc(cn1)C(=O)O AB00723 [1,1,0,0,0,0|1,0,0]=3 309 B10R1.13 Cc1ccc(nc1)C(=O)C AB25779 [1,1,0,0,0,0|1,0,0]=3 310 B10R1.13 Cc1ccc(nc1)C(=O)O AB09798 [1,1,0,0,0,0|1,0,0]=3 311 B10R1.13 Cc1ccc(nn1)C(=O)C AB75459 [1,1,0,0,0,0|2,0,0]=4 312 B10R1.13 Cc1ccc(nn1)C(=O)O AB52759 [1,1,0,0,0,0|2,0,0]=4 313 B10R1.13 Cc1cnc(cn1)C(=O)C AB02269 [1,1,0,0,0,0|2,0,0]=4 314 B10R1.13 Cc1cnc(cn1)C(=O)O PB12995 [1,1,0,0,0,0|2,0,0]=4 315 B10R1.13 Cc1cnc(nc1)C(=O)O PB29748 [1,1,0,0,0,0|2,0,0]=4 316 B10R1.13 Cc1ncc(cn1)C(=O)O PB27884 [1,1,0,0,0,0|2,0,0]=4 317 B10R1.13 c1c(cnc(n1)C(=O)O)Br PB33902 [1,1,0,0,0,0|2,0,0]=4 318 B10R1.13 c1c(cnc(n1)C(=O)O)Cl PB13081 [1,1,0,0,0,0|2,0,0]=4 319 B10R1.13 c1c(cnc(n1)C(=O)O)F PB31127 [1,1,0,0,0,0|2,0,0]=4 320 B10R1.13 c1c(cnc(n1)C(=O)O)N PB34128 [1,1,0,0,0,0|2,0,0]=4 321 B10R1.13 c1c(cnc(n1)Cl)C(=O)O PB24941 [1,1,0,0,0,0|2,0,0]=4 322 B10R1.13 c1c(cnc(n1)N)C(=O)O AB22915 [1,1,0,0,0,0|2,0,0]=4 323 B10R1.13 c1c(cnc(n1)O)C(=O)O PB14569 [1,1,0,0,0,0|2,0,0]=4 324 B10R1.13 c1c(ncc(n1)Br)C(=O)O AB54768 [1,1,0,0,0,0|2,0,0]=4 325 B10R1.13 c1c(ncc(n1)Cl)C(=O)O PB34349 [1,1,0,0,0,0|2,0,0]=4 326 B10R1.13 c1c(ncc(n1)N)C(=O)O PB32499 [1,1,0,0,0,0|2,0,0]=4 327 B10R1.13 c1c(ncc(n1)O)C(=O)O PB32161 [1,1,0,0,0,0|2,0,0]=4 328 B10R1.13 c1cc(ccc1C(=N)N)Br AB06234 [1,1,0,0,0,0|2,0,0]=4 329 B10R1.13 c1cc(ccc1C(=N)N)Cl AB03527 [1,1,0,0,0,0|2,0,0]=4 330 B10R1.13 c1cc(ccc1C(=N)N)F AB18284 [1,1,0,0,0,0|2,0,0]=4 331 B10R1.13 c1cc(ccc1C(=N)N)I AB18403 [1,1,0,0,0,0|2,0,0]=4 332 B10R1.13 c1cc(ccc1C(=N)N)N AB01119 [1,1,0,0,0,0|2,0,0]=4 333 B10R1.13 c1cc(ccc1C(=N)N)O AB03766 [1,1,0,0,0,0|2,0,0]=4 334 B10R1.13 c1cc(ccc1C(=S)N)Br AB18142 [1,1,0,0,0,0|1,1,0]=4 335 B10R1.13 c1cc(ccc1C(=S)N)Cl AB01841 [1,1,0,0,0,0|1,1,0]=4 336 B10R1.13 c1cc(ccc1C(=S)N)F AB08498 [1,1,0,0,0,0|1,1,0]=4 337 B10R1.13 c1cc(ccc1C(=S)N)N AB01833 [1,1,0,0,0,0|1,1,0]=4 338 B10R1.13 c1cc(ccc1C(=S)N)O AB21285 [1,1,0,0,0,0|1,1,0]=4 339 B10R1.13 c1cc(ncc1Br)C(=O)O PB32197 [1,1,0,0,0,0|1,0,0]=3 340 B10R1.13 c1cc(ncc1Br)C(=O)[O-] AB42654 [1,1,0,0,0,0|1,0,1]=4 341 B10R1.13 c1cc(ncc1C(=O)Cl)F AB42627 [1,1,0,0,0,0|2,0,0]=4 342 B10R1.13 c1cc(ncc1C(=O)N)Br MB01098 [1,1,0,0,0,0|2,0,0]=4 343 B10R1.13 c1cc(ncc1C(=O)O)Br PB18554 [1,1,0,0,0,0|1,0,0]=3 344 B10R1.13 c1cc(ncc1C(=O)O)Cl AB00659 [1,1,0,0,0,0|1,0,0]=3 345 B10R1.13 c1cc(ncc1C(=O)O)F AB09999 [1,1,0,0,0,0|1,0,0]=3 346 B10R1.13 c1cc(ncc1C(=O)O)N AB17940 [1,1,0,0,0,0|1,0,0]=3 347 B10R1.13 c1cc(ncc1C(=O)O)N PB21621 [1,1,0,0,0,0|1,0,0]=3 348 B10R1.13 c1cc(ncc1C(=O)O)O PB17040 [1,1,0,0,0,0|1,0,0]=3 349 B10R1.13 c1cc(ncc1Cl)C(=O)O AB17962 [1,1,0,0,0,0|1,0,0]=3 350 B10R1.13 c1cc(ncc1F)C(=O)O AB17969 [1,1,0,0,0,0|1,0,0]=3 351 B10R1.13 c1cc(ncc1N)C(=O)O AB12645 [1,1,0,0,0,0|1,0,0]=3 352 B10R1.13 c1cc(ncc1O)C(=O)N MB11444 [1,1,0,0,0,0|2,0,0]=4 353 B10R1.13 c1cc(ncc1O)C(=O)O PB26027 [1,1,0,0,0,0|1,0,0]=3 354 B10R1.13 c1cc(nnc1C(=O)O)Cl PB27458 [1,1,0,0,0,0|2,0,0]=4 355 B10R1.13 c1cc(nnc1C(=O)O)N PB30836 [1,1,0,0,0,0|2,0,0]=4 356 B10R1.13 c1cc(nnc1C(=O)O)O PB20339 [1,1,0,0,0,0|2,0,0]=4 357 B10R1.61 B(c1ccccc1Br)(O)O AB08325 [1,1,0,0,0,0|1,0,1]=4 358 B10R1.61 B(c1ccccc1C)(O)O AB03348 [1,1,0,0,0,0|1,0,1]=4 359 B10R1.61 B(c1ccccc1Cl)(O)O AB06914 [1,1,0,0,0,0|1,0,1]=4 360 B10R1.61 B(c1ccccc1F)(O)O AB06918 [1,1,0,0,0,0|1,0,1]=4 361 B10R1.61 B(c1ccccc1N)(O)O AB08088 [1,1,0,0,0,0|1,0,1]=4 362 B10R1.61 B(c1ccccc1O)(O)O AB08053 [1,1,0,0,0,0|1,0,1]=4 363 B10R1.61 CC(=O)c1c(cccn1)Cl PB28312 [1,1,0,0,0,0|1,0,0]=3 364 B10R1.61 CC(=O)c1c(cccn1)F PB26212 [1,1,0,0,0,0|1,0,0]=3 365 B10R1.61 CC(=O)c1c(cccn1)N AB08681 [1,1,0,0,0,0|1,0,0]=3 366 B10R1.61 CC(=O)c1c(nccn1)Cl PB31492 [1,1,0,0,0,0|2,0,0]=4 367 B10R1.61 CC(=O)c1c(nccn1)N PB17764 [1,1,0,0,0,0|2,0,0]=4 368 B10R1.61 CC(=O)c1cccnc1Br AB18171 [1,1,0,0,0,0|1,0,0]=3 369 B10R1.61 CC(=O)c1cccnc1Cl PB32351 [1,1,0,0,0,0|1,0,0]=3 370 B10R1.61 CC(=O)c1cccnc1F AB41104 [1,1,0,0,0,0|1,0,0]=3 371 B10R1.61 CC(=O)c1cccnc1N AB11689 [1,1,0,0,0,0|1,0,0]=3 372 B10R1.61 CC(=O)c1ccncc1Br PB12099 [1,1,0,0,0,0|1,0,0]=3 373 B10R1.61 CC(=O)c1ccncc1F PB22036 [1,1,0,0,0,0|1,0,0]=3 374 B10R1.61 CC(=O)c1ccncc1N AB41121 [1,1,0,0,0,0|1,0,0]=3 375 B10R1.61 CC(=O)c1cnccc1Br AB64732 [1,1,0,0,0,0|1,0,0]=3 376 B10R1.61 CC(=O)c1cnccc1Cl AB64447 [1,1,0,0,0,0|1,0,0]=3 377 B10R1.61 CC(=O)c1cnccc1F AB41107 [1,1,0,0,0,0|1,0,0]=3 378 B10R1.61 CN(C)c1ccccc1O MB08302 [1,1,0,0,0,0|2,0,0]=4 379 B10R1.61 Cc1c(cccn1)C(=O)C AB03570 [1,1,0,0,0,0|1,0,0]=3 380 B10R1.61 Cc1c(cccn1)C(=O)O PB27380 [1,1,0,0,0,0|1,0,0]=3 381 B10R1.61 Cc1c(ccnn1)C(=O)O PB22593 [1,1,0,0,0,0|2,0,0]=4 382 B10R1.61 Cc1c(nccn1)C(=O)O PB12562 [1,1,0,0,0,0|2,0,0]=4 383 B10R1.61 Cc1ccccc1C(=N)N AB18273 [1,1,0,0,0,0|2,0,0]=4 384 B10R1.61 Cc1ccccc1C(=S)N AB16881 [1,1,0,0,0,0|1,1,0]=4 385 B10R1.61 Cc1cccnc1C(=O)O PB10121 [1,1,0,0,0,0|1,0,0]=3 386 B10R1.61 Cc1ccncc1C(=O)C AB45306 [1,1,0,0,0,0|1,0,0]=3 387 B10R1.61 Cc1ccncc1C(=O)O PB17119 [1,1,0,0,0,0|1,0,0]=3 388 B10R1.61 Cc1ccnnc1C(=O)O PB17664 [1,1,0,0,0,0|2,0,0]=4 389 B10R1.61 Cc1cnccc1C(=O)O PB12103 [1,1,0,0,0,0|1,0,0]=3 390 B10R1.61 Cc1cnncc1C(=O)O PB17923 [1,1,0,0,0,0|2,0,0]=4 391 B10R1.61 c1c(c(ncn1)C(=O)O)Br PB12688 [1,1,0,0,0,0|2,0,0]=4 392 B10R1.61 c1c(c(ncn1)Cl)C(=O)O AB51529 [1,1,0,0,0,0|2,0,0]=4 393 B10R1.61 c1c(c(ncn1)N)C(=O)O AB02045 [1,1,0,0,0,0|2,0,0]=4 394 B10R1.61 c1cc(c(nc1)Br)C(=O)O AB09561 [1,1,0,0,0,0|1,0,0]=3 395 B10R1.61 c1cc(c(nc1)C(=O)N)N PB24920 [1,1,0,0,0,0|2,0,0]=4 396 B10R1.61 c1cc(c(nc1)C(=O)O)Cl PB30690 [1,1,0,0,0,0|1,0,0]=3 397 B10R1.61 c1cc(c(nc1)C(=O)O)F PB12310 [1,1,0,0,0,0|1,0,0]=3 398 B10R1.61 c1cc(c(nc1)C(=O)O)I AB10544 [1,1,0,0,0,0|1,0,0]=3 399 B10R1.61 c1cc(c(nc1)C(=O)O)N PB32134 [1,1,0,0,0,0|1,0,0]=3 400 B10R1.61 c1cc(c(nc1)Cl)C(=O)O AB00651 [1,1,0,0,0,0|1,0,0]=3 401 B10R1.61 c1cc(c(nc1)F)C(=O)O AB01814 [1,1,0,0,0,0|1,0,0]=3 402 B10R1.61 c1cc(c(nc1)N)C(=O)O PB30535 [1,1,0,0,0,0|1,0,0]=3 403 B10R1.61 c1cc(c(nc1)O)C(=O)O AB01020 [1,1,0,0,0,0|1,0,0]=3 404 B10R1.61 c1ccc(c(c1)C(=N)N)Br AB18326 [1,1,0,0,0,0|2,0,0]=4 405 B10R1.61 c1ccc(c(c1)C(=N)N)Cl AB05888 [1,1,0,0,0,0|2,0,0]=4 406 B10R1.61 c1ccc(c(c1)C(=N)N)F AB18318 [1,1,0,0,0,0|2,0,0]=4 407 B10R1.61 c1ccc(c(c1)C(=N)N)O AB55085 [1,1,0,0,0,0|2,0,0]=4 408 B10R1.61 c1ccc(c(c1)C(=O)O)Br AB00223 [1,1,0,0,0,0|0,0,0]=2 409 B10R1.61 c1ccc(c(c1)C(=S)N)Br AB21272 [1,1,0,0,0,0|1,1,0]=4 410 B10R1.61 c1ccc(c(c1)C(=S)N)Cl AB01839 [1,1,0,0,0,0|1,1,0]=4 411 B10R1.61 c1ccc(c(c1)C(=S)N)N AB07816 [1,1,0,0,0,0|1,1,0]=4 412 B10R1.61 c1cnc(c(n1)C(=O)O)Cl PB23222 [1,1,0,0,0,0|2,0,0]=4 413 B10R1.61 c1cnc(c(n1)C(=O)O)N AB00606 [1,1,0,0,0,0|2,0,0]=4 414 B10R1.61 c1cnc(c(n1)C(=O)O)O PB18475 [1,1,0,0,0,0|2,0,0]=4 415 B10R1.61 c1cncc(c1Br)C(=O)O AB18009 [1,1,0,0,0,0|1,0,0]=3 416 B10R1.61 c1cncc(c1C(=O)N)O MB13532 [1,1,0,0,0,0|2,0,0]=4 417 B10R1.61 c1cncc(c1C(=O)O)Br PB10062 [1,1,0,0,0,0|1,0,0]=3 418 B10R1.61 c1cncc(c1C(=O)O)Cl AB13346 [1,1,0,0,0,0|1,0,0]=3 419 B10R1.61 c1cncc(c1C(=O)O)I AB09565 [1,1,0,0,0,0|1,0,0]=3 420 B10R1.61 c1cncc(c1C(=O)O)N PB17122 [1,1,0,0,0,0|1,0,0]=3 421 B10R1.61 c1cncc(c1C(=O)O)O PB29057 [1,1,0,0,0,0|1,0,0]=3 422 B10R1.61 c1cncc(c1Cl)C(=O)O AB03598 [1,1,0,0,0,0|1,0,0]=3 423 B10R1.61 c1cncc(c1F)C(=O)O AB18036 [1,1,0,0,0,0|1,0,0]=3 424 B10R1.61 c1cncc(c1I)C(=O)O AB15003 [1,1,0,0,0,0|1,0,0]=3 425 B10R1.61 c1cncc(c1N)C(=O)N PB21456 [1,1,0,0,0,0|2,0,0]=4 426 B10R1.61 c1cncc(c1N)C(=O)O PB26016 [1,1,0,0,0,0|1,0,0]=3 427 B10R1.61 c1cncc(c1O)C(=O)N MB06099 [1,1,0,0,0,0|2,0,0]=4 428 B10R1.61 c1cncc(c1O)C(=O)O AB01802 [1,1,0,0,0,0|1,0,0]=3 429 B10R1.61 c1cnnc(c1C(=O)O)O AB76276 [1,1,0,0,0,0|2,0,0]=4 430 B10R1.113 B(c1cccc(c1)Br)(O)O AB05452 [1,1,0,0,0,0|1,0,1]=4 431 B10R1.113 B(c1cccc(c1)C)(O)O AB01795 [1,1,0,0,0,0|1,0,1]=4 432 B10R1.113 B(c1cccc(c1)Cl)(O)O AB04228 [1,1,0,0,0,0|1,0,1]=4 433 B10R1.113 B(c1cccc(c1)F)(O)O AB05340 [1,1,0,0,0,0|1,0,1]=4 434 B10R1.113 B(c1cccc(c1)I)(O)O AB08836 [1,1,0,0,0,0|1,0,1]=4 435 B10R1.113 B(c1cccc(c1)N)(O)O AB00895 [1,1,0,0,0,0|1,0,1]=4 436 B10R1.113 B(c1cccc(c1)N)(O)O AB01122 [1,1,0,0,0,0|1,0,1]=4 437 B10R1.113 B(c1cccc(c1)O)(O)O AB08061 [1,1,0,0,0,0|1,0,1]=4 438 B10R1.113 B(c1cccc(c1)S)(O)O AB13509 [1,1,0,0,0,0|1,0,1]=4 439 B10R1.113 CC(=O)c1cc(ccn1)Br AB67963 [1,1,0,0,0,0|1,0,0]=3 440 B10R1.113 CC(=O)c1cc(ccn1)Cl AB60198 [1,1,0,0,0,0|1,0,0]=3 441 B10R1.113 CC(=O)c1cc(ccn1)F AB68049 [1,1,0,0,0,0|1,0,0]=3 442 B10R1.113 CC(=O)c1cc(ccn1)O AB69730 [1,1,0,0,0,0|1,0,0]=3 443 B10R1.113 CC(=O)c1cc(cnc1)Br PB20794 [1,1,0,0,0,0|1,0,0]=3 444 B10R1.113 CC(=O)c1cc(cnc1)F AB41114 [1,1,0,0,0,0|1,0,0]=3 445 B10R1.113 CC(=O)c1cc(cnc1)N AB30920 [1,1,0,0,0,0|1,0,0]=3 446 B10R1.113 CC(=O)c1cc(ncn1)Cl AB75829 [1,1,0,0,0,0|2,0,0]=4 447 B10R1.113 CC(=O)c1cc(nnc1)Cl AB76969 [1,1,0,0,0,0|2,0,0]=4 448 B10R1.113 CC(=O)c1cccc(n1)Br AB05570 [1,1,0,0,0,0|1,0,0]=3 449 B10R1.113 CC(=O)c1cccc(n1)Cl AB41100 [1,1,0,0,0,0|1,0,0]=3 450 B10R1.113 CC(=O)c1cccc(n1)F AB50226 [1,1,0,0,0,0|1,0,0]=3 451 B10R1.113 CC(=O)c1cccc(n1)N AB67452 [1,1,0,0,0,0|1,0,0]=3 452 B10R1.113 CC(=O)c1ccnc(c1)Br AB31302 [1,1,0,0,0,0|1,0,0]=3 453 B10R1.113 CC(=O)c1ccnc(c1)Cl PB18811 [1,1,0,0,0,0|1,0,0]=3 454 B10R1.113 CC(=O)c1ccnc(c1)F AB50237 [1,1,0,0,0,0|1,0,0]=3 455 B10R1.113 CC(=O)c1ccnc(c1)N AB67454 [1,1,0,0,0,0|1,0,0]=3 456 B10R1.113 CC(=O)c1ccnc(n1)Cl AB76950 [1,1,0,0,0,0|2,0,0]=4 457 B10R1.113 CC(=O)c1ccnc(n1)N PB23634 [1,1,0,0,0,0|2,0,0]=4 458 B10R1.113 C[C@@H](c1cccc(c1)N)N AB29091 [1,1,0,0,0,0|1,0,1]=4 459 B10R1.113 C[C@H](c1cccc(c1)O)N AB21156 [1,1,0,0,0,0|1,0,1]=4 460 B10R1.113 Cc1cc(ccn1)C(=O)C AB41122 [1,1,0,0,0,0|1,0,0]=3 461 B10R1.113 Cc1cc(ccn1)C(=O)Cl AB60195 [1,1,0,0,0,0|2,0,0]=4 462 B10R1.113 Cc1cc(ccn1)C(=O)O AB06393 [1,1,0,0,0,0|1,0,0]=3 463 B10R1.113 Cc1cc(cnc1)C(=O)O PB12710 [1,1,0,0,0,0|1,0,0]=3 464 B10R1.113 Cc1cc(ncn1)C(=O)C AB50216 [1,1,0,0,0,0|2,0,0]=4 465 B10R1.113 Cc1cc(ncn1)C(=O)O PB20450 [1,1,0,0,0,0|2,0,0]=4 466 B10R1.113 Cc1cccc(c1)C(=N)N AB11452 [1,1,0,0,0,0|2,0,0]=4 467 B10R1.113 Cc1cccc(c1)C(=S)N AB08506 [1,1,0,0,0,0|1,1,0]=4 468 B10R1.113 Cc1cccc(n1)C(=O)C AB25782 [1,1,0,0,0,0|1,0,0]=3 469 B10R1.113 Cc1cccc(n1)C(=O)O AB01368 [1,1,0,0,0,0|1,0,0]=3 470 B10R1.113 Cc1ccnc(c1)C(=O)C AB10395 [1,1,0,0,0,0|1,0,0]=3 471 B10R1.113 Cc1ccnc(c1)C(=O)O AB15851 [1,1,0,0,0,0|1,0,0]=3 472 B10R1.113 Cc1ccnc(n1)C(=O)O PB31505 [1,1,0,0,0,0|2,0,0]=4 473 B10R1.113 Cc1cncc(n1)C(=O)O AB48615 [1,1,0,0,0,0|2,0,0]=4 474 B10R1.113 Cc1nccc(n1)C(=O)C AB04788 [1,1,0,0,0,0|2,0,0]=4 475 B10R1.113 c1c(cncc1Cl)C(=O)O PB25983 [1,1,0,0,0,0|1,0,0]=3 476 B10R1.113 c1c(cncc1F)C(=O)O PB23226 [1,1,0,0,0,0|1,0,0]=3 477 B10R1.113 c1c(cncc1N)C(=O)O PB13029 [1,1,0,0,0,0|1,0,0]=3 478 B10R1.113 c1c(cncc1O)C(=O)N MB01725 [1,1,0,0,0,0|2,0,0]=4 479 B10R1.113 c1c(cncc1O)C(=O)O PB33816 [1,1,0,0,0,0|1,0,0]=3 480 B10R1.113 c1c(cnnc1Cl)C(=O)O PB30096 [1,1,0,0,0,0|2,0,0]=4 481 B10R1.113 c1c(nc(cn1)Br)C(=O)O AB69955 [1,1,0,0,0,0|2,0,0]=4 482 B10R1.113 c1c(nc(cn1)Cl)C(=O)O PB21720 [1,1,0,0,0,0|2,0,0]=4 483 B10R1.113 c1c(nc(cn1)N)C(=O)O AB60537 [1,1,0,0,0,0|2,0,0]=4 484 B10R1.113 c1c(ncnc1Cl)C(=O)O AB48398 [1,1,0,0,0,0|2,0,0]=4 485 B10R1.113 c1cc(cc(c1)Br)C(=N)N AB18330 [1,1,0,0,0,0|2,0,0]=4 486 B10R1.113 c1cc(cc(c1)Br)C(=O)N MB00265 [1,1,0,0,0,0|1,0,0]=3 487 B10R1.113 c1cc(cc(c1)Br)C(=S)N AB21268 [1,1,0,0,0,0|1,1,0]=4 488 B10R1.113 c1cc(cc(c1)Cl)C(=S)N AB05898 [1,1,0,0,0,0|1,1,0]=4 489 B10R1.113 c1cc(cc(c1)F)C(=N)N AB18313 [1,1,0,0,0,0|2,0,0]=4 490 B10R1.113 c1cc(cc(c1)F)C(=S)N AB21276 [1,1,0,0,0,0|1,1,0]=4 491 B10R1.113 c1cc(cc(c1)N)C(=N)N AB01115 [1,1,0,0,0,0|2,0,0]=4 492 B10R1.113 c1cc(cc(c1)N)C(=S)N AB21283 [1,1,0,0,0,0|1,1,0]=4 493 B10R1.113 c1cc(cc(c1)O)C(=N)N AB55570 [1,1,0,0,0,0|2,0,0]=4 494 B10R1.113 c1cc(cc(c1)O)C(=O)N MB00281 [1,1,0,0,0,0|1,0,0]=3 495 B10R1.113 c1cc(nc(c1)Br)C(=O)N MB00999 [1,1,0,0,0,0|2,0,0]=4 496 B10R1.113 c1cc(nc(c1)Br)C(=O)O AB03328 [1,1,0,0,0,0|1,0,0]=3 497 B10R1.113 c1cc(nc(c1)Cl)C(=O)O AB04138 [1,1,0,0,0,0|1,0,0]=3 498 B10R1.113 c1cc(nc(c1)F)C(=O)O AB11487 [1,1,0,0,0,0|1,0,0]=3 499 B10R1.113 c1cc(nc(c1)I)C(=O)N AB42518 [1,1,0,0,0,0|2,0,0]=4 500 B10R1.113 c1cc(nc(c1)I)C(=O)O AB42497 [1,1,0,0,0,0|1,0,0]=3 501 B10R1.113 c1cc(nc(c1)N)C(=O)O PB23179 [1,1,0,0,0,0|1,0,0]=3 502 B10R1.113 c1cnc(cc1Br)C(=O)O PB21234 [1,1,0,0,0,0|1,0,0]=3 503 B10R1.113 c1cnc(cc1C(=O)N)Br AB05162 [1,1,0,0,0,0|2,0,0]=4 504 B10R1.113 c1cnc(cc1C(=O)N)Cl AB04952 [1,1,0,0,0,0|2,0,0]=4 505 B10R1.113 c1cnc(cc1C(=O)N)N AB16207 [1,1,0,0,0,0|2,0,0]=4 506 B10R1.113 c1cnc(cc1C(=O)O)Br AB09563 [1,1,0,0,0,0|1,0,0]=3 507 B10R1.113 c1cnc(cc1C(=O)O)Cl PB12125 [1,1,0,0,0,0|1,0,0]=3 508 B10R1.113 c1cnc(cc1C(=O)O)F AB11490 [1,1,0,0,0,0|1,0,0]=3 509 B10R1.113 c1cnc(cc1C(=O)O)I AB29977 [1,1,0,0,0,0|1,0,0]=3 510 B10R1.113 c1cnc(cc1C(=O)O)N PB19872 [1,1,0,0,0,0|1,0,0]=3 511 B10R1.113 c1cnc(cc1C(=O)O)O PB29144 [1,1,0,0,0,0|1,0,0]=3 512 B10R1.113 c1cnc(cc1Cl)C(=O)N AB08235 [1,1,0,0,0,0|2,0,0]=4 513 B10R1.113 c1cnc(cc1Cl)C(=O)O AB04585 [1,1,0,0,0,0|1,0,0]=3 514 B10R1.113 c1cnc(cc1F)C(=O)O AB40659 [1,1,0,0,0,0|1,0,0]=3 515 B10R1.113 c1cnc(cc1I)C(=O)O AB28008 [1,1,0,0,0,0|1,0,0]=3 516 B10R1.113 c1cnc(cc1I)C(=O)O PB20818 [1,1,0,0,0,0|1,0,0]=3 517 B10R1.113 c1cnc(cc1N)C(=O)N AB43415 [1,1,0,0,0,0|2,0,0]=4 518 B10R1.113 c1cnc(cc1N)C(=O)O PB23313 [1,1,0,0,0,0|1,0,0]=3 519 B10R1.113 c1cnc(cc1O)C(=O)N MB05243 [1,1,0,0,0,0|2,0,0]=4 520 B10R1.113 c1cnc(cc1O)C(=O)O AB06407 [1,1,0,0,0,0|1,0,0]=3 521 B10R1.113 c1cnc(nc1C(=O)O)Cl AB28457 [1,1,0,0,0,0|2,0,0]=4 522 B10R1.113 c1cnc(nc1C(=O)O)N AB42844 [1,1,0,0,0,0|2,0,0]=4 523 B10R1.113 c1cnc(nc1Cl)C(=O)O AB55866 [1,1,0,0,0,0|2,0,0]=4 524 B10R1.1 Cc1ccc(cc1)\C=C\Br AB73509 [1,1,0,0,0,0|2,0,0]=4 525 B10R1.1 c1cc(ccc1\C=C\Br)Br AB32162 [1,1,0,0,0,0|2,0,0]=4 526 B10R1.1 c1cc(ccc1\C=C\Br)Cl AB32165 [1,1,0,0,0,0|2,0,0]=4 527 B10R1.1 c1cc(ccc1\C=C\Br)F AB66443 [1,1,0,0,0,0|2,0,0]=4 528 B10R1.1 c1cc(ccc1\C=N\O)Br AB06151 [1,1,0,0,0,0|2,0,0]=4 529 B10R1.4 c1ccc(c(c1)\C=N\O)Cl AB01188 [1,1,0,0,0,0|2,0,0]=4 530 B10R1.10 c1cc(cc(c1)Br)\C=C\Br AB73510 [1,1,0,0,0,0|2,0,0]=4 531 B10R1.10 c1cc(cc(c1)Br)\C=N\O AB03839 [1,1,0,0,0,0|2,0,0]=4 532 B10R1.17 c1ccc(cc1)CCCN AB00940 [1,1,0,0,0,0|1,0,1]=4 533 B10R1.18 C[C@@H](Cc1ccccc1)N AB03711 [1,1,0,0,0,0|1,0,1]=4 534 B10R1.18 C[C@H](Cc1ccccc1)N AB07478 [1,1,0,0,0,0|1,0,1]=4 535 B10R1.11 CCOC(=O)c1[nH]ccn1 AB14751 [0,1,0,0,1,0|2,0,0]=4 536 B10R1.11 CCOC(=O)c1ccon1 PB14547 [0,1,0,0,1,0|2,0,0]=4 537 B10R1.11 CCOC(=O)c1cnco1 AB19292 [0,1,0,0,1,0|2,0,0]=4 538 B10R1.11 CCOC(=O)c1cncs1 PB17345 [0,1,0,0,1,0|2,0,0]=4 539 B10R1.11 CCOC(=O)c1cnoc1 PB30887 [0,1,0,0,1,0|2,0,0]=4 540 B10R1.11 CCOC(=O)c1cocn1 PB21846 [0,1,0,0,1,0|2,0,0]=4 541 B10R1.11 CCOC(=O)c1cscn1 AB16049 [0,1,0,0,1,0|2,0,0]=4 542 B10R1.11 CCOC(=O)c1ncco1 AB19317 [0,1,0,0,1,0|2,0,0]=4 543 B10R1.11 CCOC(=O)c1nccs1 AB23232 [0,1,0,0,1,0|2,0,0]=4 544 B10R1.11 c1cc(sc1)C(=O)CCCl AB24965 [0,1,0,0,1,0|2,0,0]=4 545 B10R1.14 COC(=O)C1=NC(=CC1)Br MB07693 [0,1,0,0,1,0|1,0,1]=4 546 B10R1.14 COC(=O)C1=NC=C(C1)Br PB29127 [0,1,0,0,1,0|1,0,1]=4 547 B10R1.14 COC(=O)c1cc(cs1)Br PB18709 [0,1,0,0,1,0|1,0,0]=3 548 B10R1.14 COC(=O)c1cc(cs1)Cl PB24460 [0,1,0,0,1,0|1,0,0]=3 549 B10R1.14 COC(=O)c1cc(sc1)Br PB21329 [0,1,0,0,1,0|1,0,0]=3 550 B10R1.14 COC(=O)c1cc(sc1)Cl PB30437 [0,1,0,0,1,0|1,0,0]=3 551 B10R1.14 COC(=O)c1ccc(s1)Br PB24794 [0,1,0,0,1,0|1,0,0]=3 552 B10R1.14 COC(=O)c1ccc(s1)Cl MB03690 [0,1,0,0,1,0|1,0,0]=3 553 B10R1.14 COC(=O)c1cnc(s1)Br AB16048 [0,1,0,0,1,0|2,0,0]=4 554 B10R1.14 COC(=O)c1cnc(s1)N AB16042 [0,1,0,0,1,0|2,0,0]=4 555 B10R1.14 COC(=O)c1csc(n1)Br AB26606 [0,1,0,0,1,0|2,0,0]=4 556 B10R1.14 COC(=O)c1csc(n1)Cl AB26609 [0,1,0,0,1,0|2,0,0]=4 557 B10R1.14 COC(=O)c1csc(n1)N AB06554 [0,1,0,0,1,0|2,0,0]=4 558 B10R1.14 COC(=O)c1nc(cs1)Br MB09382 [0,1,0,0,1,0|2,0,0]=4 559 B10R1.14 COC(=O)c1ncc(s1)Br MB14341 [0,1,0,0,1,0|2,0,0]=4 560 B10R1.14 COC(=O)c1ncc(s1)N PB39132 [0,1,0,0,1,0|2,0,0]=4 561 B10R1.14 Cc1ccc(s1)C(=O)OC AB23205 [0,1,0,0,1,0|1,0,0]=3 562 B10R1.14 Cc1cnc(o1)C(=O)OC AB53495 [0,1,0,0,1,0|2,0,0]=4 563 B10R1.14 Cc1cnc(s1)C(=O)OC AB10517 [0,1,0,0,1,0|2,0,0]=4 564 B10R1.14 Cc1csc(n1)C(=O)OC AB44701 [0,1,0,0,1,0|2,0,0]=4 565 B10R1.14 Cc1nc(co1)C(=O)OC AB13936 [0,1,0,0,1,0|2,0,0]=4 566 B10R1.14 Cc1ncc(o1)C(=O)OC AB27653 [0,1,0,0,1,0|2,0,0]=4 567 B10R1.149 CC1=C(C=NC1)C(=O)OC AB56145 [0,1,0,0,1,0|1,0,1]=4 568 B10R1.149 CC1=C(N=CC1)C(=O)OC PB28024 [0,1,0,0,1,0|1,0,1]=4 569 B10R1.149 COC(=O)C1=C(N=CC1)N AB55415 [0,1,0,0,1,0|1,0,1]=4 570 B10R1.149 COC(=O)C1=NC=CC1Br PB38397 [0,1,0,0,1,0|1,0,1]=4 571 B10R1.149 COC(=O)C1=NC=CC1Cl PB31974 [0,1,0,0,1,0|1,0,1]=4 572 B10R1.149 COC(=O)c1c(cco1)N PB25248 [0,1,0,0,1,0|1,0,0]=3 573 B10R1.149 COC(=O)c1c(ccs1)Br PB25989 [0,1,0,0,1,0|1,0,0]=3 574 B10R1.149 COC(=O)c1c(ccs1)Cl PB32116 [0,1,0,0,1,0|1,0,0]=3 575 B10R1.149 COC(=O)c1c(ccs1)F CB11867 [0,1,0,0,1,0|1,0,0]=3 576 B10R1.149 COC(=O)c1c(ncs1)N AB49408 [0,1,0,0,1,0|2,0,0]=4 577 B10R1.149 COC(=O)c1ccsc1N PB30611 [0,1,0,0,1,0|1,0,0]=3 578 B10R1.149 Cn1cccc1C(=O)OC CB10178 [0,1,0,0,1,0|1,0,0]=3 579 B10R1.149 Cn1ccnc1C(=O)OC PB27571 [0,1,0,0,1,0|2,0,0]=4 580 B10R1.149 Cn1cncc1C(=O)OC PB26064 [0,1,0,0,1,0|2,0,0]=4 581 B12R1.32 CCOC(=O)Cc1ccccn1 AB00728 [0,1,0,0,0,1|1,0,0]=3 582 B12R1.32 CCOC(=O)Cc1cnccn1 AB62539 [0,1,0,0,0,1|2,0,0]=4 583 B12R1.32 CCOC(=O)Cc1ncccn1 PB14776 [0,1,0,0,0,1|2,0,0]=4 584 B12R1.34 CN(c1ccccc1)C(=O)CO AB13884 [0,1,0,0,0,1|2,0,0]=4 585 B12R1.34 COC(=O)C(c1ccccn1)N CB11313 [0,1,0,0,0,1|1,0,0]=3 586 B12R1.34 COC(=O)[C@@H](c1ccccc1)Br AB70356 [0,1,0,0,0,1|0,0,0]=2 587 B12R1.43 C[C@@H](C(=O)Nc1ccccc1)O AB72181 [0,1,0,0,0,1|1,0,0]=3 588 B12R1.49 COC(=N)Cc1ccc(cc1)Br AB60928 [0,1,0,0,0,1|1,0,0]=3 589 B12R1.49 COC(=N)Cc1ccc(cc1)Cl AB60925 [0,1,0,0,0,1|1,0,0]=3 590 B12R1.49 COC(=N)Cc1ccc(cc1)F AB60924 [0,1,0,0,0,1|1,0,0]=3 591 B12R1.49 COC(=O)Cc1ccc(cc1)Br PB24610 [0,1,0,0,0,1|0,0,0]=2 592 B12R1.49 COC(=O)Cc1ncc(cn1)Br PB24257 [0,1,0,0,0,1|2,0,0]=4 593 B12R1.49 COC(=O)Nc1ccc(cn1)Br MB01437 [0,1,0,0,0,1|1,0,0]=3 594 B12R1.49 COC(=O)Nc1ccc(nc1)Br MB14348 [0,1,0,0,0,1|1,0,0]=3 595 B12R1.49 COC(=O)Nc1cnc(cn1)Br MB14334 [0,1,0,0,0,1|2,0,0]=4 596 B12R1.49 Cc1ccc(cc1)CC(=N)OC AB60933 [0,1,0,0,0,1|1,0,0]=3 597 B12R1.50 COC(=N)Cc1cccc(c1)Br AB60935 [0,1,0,0,0,1|1,0,0]=3 598 B12R1.50 COC(=N)Cc1cccc(c1)F AB60943 [0,1,0,0,0,1|1,0,0]=3 599 B12R1.50 COC(=O)Cc1cccc(c1)F CB10636 [0,1,0,0,0,1|0,0,0]=2 600 B12R1.50 COC(=O)Nc1cc(cnc1)Br MB14337 [0,1,0,0,0,1|1,0,0]=3 601 B12R1.50 COC(=O)Nc1cc(ncn1)Br MB14349 [0,1,0,0,0,1|2,0,0]=4 602 B12R1.50 COC(=O)Nc1cccc(n1)Br MB11682 [0,1,0,0,0,1|1,0,0]=3 603 B12R1.50 COC(=O)Nc1ccnc(c1)Br MB14322 [0,1,0,0,0,1|1,0,0]=3 604 B12R1.50 COC(=O)Nc1cncc(n1)Br MB14345 [0,1,0,0,0,1|2,0,0]=4 605 B12R1.50 COC(=O)Nc1nccc(n1)Br MB14330 [0,1,0,0,0,1|2,0,0]=4 606 B12R1.50 Cc1cccc(c1)CC(=N)OC AB60932 [0,1,0,0,0,1|1,0,0]=3 607 B12R1.371 COC(=N)Cc1ccccc1Cl AB60946 [0,1,0,0,0,1|1,0,0]=3 608 B12R1.371 COC(=O)Cc1c(cccn1)Br PB23028 [0,1,0,0,0,1|1,0,0]=3 609 B12R1.371 COC(=O)Cc1ccccc1Br AB42488 [0,1,0,0,0,1|0,0,0]=2 610 B12R1.371 COC(=O)Cc1ccccc1N AB21308 [0,1,0,0,0,1|0,0,0]=2 611 B12R1.371 COC(=O)Cc1cccnc1Cl AB76392 [0,1,0,0,0,1|1,0,0]=3 612 B12R1.371 COC(=O)Cc1ccncc1N AB63978 [0,1,0,0,0,1|1,0,0]=3 613 B12R1.9 CNS(=O)(=O)c1ccc(cc1)Br AB07914 [0,2,0,0,0,0|2,0,0]=4 614 B12R1.10 CNS(=O)(=O)c1cccc(c1)Br AB30829 [0,2,0,0,0,0|2,0,0]=4 615 B12R1.10 CNS(=O)(=O)c1cccc(c1)N AB30826 [0,2,0,0,0,0|2,0,0]=4 616 B12R1.478 CNC(c1ccccc1)C(=O)O AB08751 [0,2,0,0,0,0|1,0,1]=4 617 B12R1.16 CCNC(=O)c1ccc(cc1)O AB63728 [0,2,0,0,0,0|1,0,0]=3 618 B12R1.16 CCOC(=O)c1ccc(cn1)Br MB01029 [0,2,0,0,0,0|1,0,0]=3 619 B12R1.16 CCOC(=O)c1ccc(nc1)C PB19876 [0,2,0,0,0,0|1,0,0]=3 620 B12R1.16 CCOC(=O)c1ccc(nc1)N AB21186 [0,2,0,0,0,0|1,0,0]=3 621 B12R1.16 CCOC(=O)c1cnc(nc1)C PB32795 [0,2,0,0,0,0|2,0,0]=4 622 B12R1.16 CCOC(=O)c1cnc(nc1)Cl AB53770 [0,2,0,0,0,0|2,0,0]=4 623 B12R1.16 CCOC(=O)c1cnc(nc1)N AB17890 [0,2,0,0,0,0|2,0,0]=4 624 B12R1.16 CCOS(=O)c1ccc(cc1)Cl AB45706 [0,2,0,0,0,0|1,0,0]=3 625 B12R1.16 c1cc(ccc1C(=O)CC#N)Br AB07931 [0,2,0,0,0,0|1,0,1]=4 626 B12R1.16 c1cc(ccc1C(=O)CC#N)I AB18118 [0,2,0,0,0,0|1,0,1]=4 627 B12R1.17 CCOC(=O)c1cc(ccn1)Br AB53514 [0,2,0,0,0,0|1,0,0]=3 628 B12R1.17 CCOC(=O)c1cc(ccn1)Cl MB07478 [0,2,0,0,0,0|1,0,0]=3 629 B12R1.17 CCOC(=O)c1cc(ccn1)N PB20455 [0,2,0,0,0,0|1,0,0]=3 630 B12R1.17 CCOC(=O)c1cc(cnc1)Br AB01806 [0,2,0,0,0,0|1,0,0]=3 631 B12R1.17 CCOC(=O)c1cc(ncn1)Cl PB19299 [0,2,0,0,0,0|2,0,0]=4 632 B12R1.17 CCOC(=O)c1cc(ncn1)O AB63705 [0,2,0,0,0,0|2,0,0]=4 633 B12R1.17 CCOC(=O)c1cccc(n1)F AB64443 [0,2,0,0,0,0|1,0,0]=3 634 B12R1.17 CCOC(=O)c1ccnc(c1)N AB16201 [0,2,0,0,0,0|1,0,0]=3 635 B12R1.17 CCOC(=O)c1ccnc(n1)C AB62976 [0,2,0,0,0,0|2,0,0]=4 636 B12R1.17 CCOC(=O)c1ccnc(n1)Cl AB44774 [0,2,0,0,0,0|2,0,0]=4 637 B12R1.17 CCOC(=O)c1ccnc(n1)N AB76641 [0,2,0,0,0,0|2,0,0]=4 638 B12R1.17 CCOC(=O)c1ccnc(n1)O AB44770 [0,2,0,0,0,0|2,0,0]=4 639 B12R1.17 CCOC(=O)c1nccc(n1)C AB69279 [0,2,0,0,0,0|2,0,0]=4 640 B12R1.17 CCOC(=O)c1nccc(n1)Cl AB59517 [0,2,0,0,0,0|2,0,0]=4 641 B12R1.17 c1cc(cc(c1)Br)C(=O)CC#N AB11730 [0,2,0,0,0,0|1,0,1]=4 642 B12R1.17 c1cc(cc(c1)I)C(=O)CC#N AB18114 [0,2,0,0,0,0|1,0,1]=4 643 B12R1.30 c1ccc(cc1)C(=O)CSC#N AB01264 [0,2,0,0,0,0|0,1,1]=4 644 B12R1.308 CCOC(=O)c1c(cccn1)Br AB68905 [0,2,0,0,0,0|1,0,0]=3 645 B12R1.308 CCOC(=O)c1c(cccn1)C AB64448 [0,2,0,0,0,0|1,0,0]=3 646 B12R1.308 CCOC(=O)c1c(cccn1)N AB06627 [0,2,0,0,0,0|1,0,0]=3 647 B12R1.308 CCOC(=O)c1c(ccnn1)C PB13973 [0,2,0,0,0,0|2,0,0]=4 648 B12R1.308 CCOC(=O)c1c(cncn1)Br AB71475 [0,2,0,0,0,0|2,0,0]=4 649 B12R1.308 CCOC(=O)c1c(cncn1)C AB71784 [0,2,0,0,0,0|2,0,0]=4 650 B12R1.308 CCOC(=O)c1c(cncn1)Cl AB63706 [0,2,0,0,0,0|2,0,0]=4 651 B12R1.308 CCOC(=O)c1c(cncn1)N AB71473 [0,2,0,0,0,0|2,0,0]=4 652 B12R1.308 CCOC(=O)c1c(nccn1)C AB53416 [0,2,0,0,0,0|2,0,0]=4 653 B12R1.308 CCOC(=O)c1c(nccn1)Cl AB32646 [0,2,0,0,0,0|2,0,0]=4 654 B12R1.308 CCOC(=O)c1c(nccn1)N AB30933 [0,2,0,0,0,0|2,0,0]=4 655 B12R1.308 CCOC(=O)c1cccnc1C AB00718 [0,2,0,0,0,0|1,0,0]=3 656 B12R1.308 CCOC(=O)c1cccnc1N PB26067 [0,2,0,0,0,0|1,0,0]=3 657 B12R1.308 CCOC(=O)c1cccnc1O AB53419 [0,2,0,0,0,0|1,0,0]=3 658 B12R1.308 CCOC(=O)c1ccncc1N AB15955 [0,2,0,0,0,0|1,0,0]=3 659 B12R1.308 CCOC(=O)c1ccncc1O PB32752 [0,2,0,0,0,0|1,0,0]=3 660 B12R1.308 CCOC(=O)c1ccnnc1C PB32968 [0,2,0,0,0,0|2,0,0]=4 661 B12R1.308 CCOC(=O)c1cnccc1C AB62589 [0,2,0,0,0,0|1,0,0]=3 662 B12R1.308 CCOC(=O)c1cnccc1Cl AB30313 [0,2,0,0,0,0|1,0,0]=3 663 B12R1.308 CCOC(=O)c1cnccc1O MB01033 [0,2,0,0,0,0|1,0,0]=3 664 B12R1.308 CCOC(=O)c1cncnc1Cl AB32643 [0,2,0,0,0,0|2,0,0]=4 665 B12R1.308 CCOC(=O)c1cncnc1O AB05293 [0,2,0,0,0,0|2,0,0]=4 666 B12R1.308 CCOC(=O)c1cnncc1C PB27094 [0,2,0,0,0,0|2,0,0]=4 667 B12R1.308 c1ccc(c(c1)C(=O)CC#N)Br AB11732 [0,2,0,0,0,0|1,0,1]=4 668 B12R1.308 c1ccc(c(c1)C(=O)CC#N)I AB18121 [0,2,0,0,0,0|1,0,1]=4 669 B12R1.5 CCc1ccc(cc1)C(=O)C=O AB48659 [0,2,0,0,0,0|2,0,0]=4 670 B12R1.5 COC(=N)c1ccc(cc1)C=O AB60994 [0,2,0,0,0,0|1,0,0]=3 671 B12R1.5 COC(=O)c1ccc(cc1)C#C AB04259 [0,2,0,0,0,0|0,0,0]=2 672 B12R1.5 COC(=O)c1ccc(cn1)C#C AB69053 [0,2,0,0,0,0|1,0,0]=3 673 B12R1.5 COC(=O)c1ccc(cn1)C=O AB63118 [0,2,0,0,0,0|1,0,0]=3 674 B12R1.5 COC(=O)c1ccc(cn1)CBr AB31485 [0,2,0,0,0,0|1,0,0]=3 675 B12R1.5 COC(=O)c1ccc(nc1)C=O AB44523 [0,2,0,0,0,0|1,0,0]=3 676 B12R1.5 COC(=O)c1ccc(nc1)CBr AB56164 [0,2,0,0,0,0|1,0,0]=3 677 B12R1.5 COC(=O)c1ccc(nc1)CCl AB06109 [0,2,0,0,0,0|1,0,0]=3 678 B12R1.5 COC(=O)c1ccc(nc1)CO AB06608 [0,2,0,0,0,0|1,0,0]=3 679 B12R1.5 COC(=O)c1ccc(nn1)NN PB15260 [0,2,0,0,0,0|2,0,0]=4 680 B12R1.5 COC(=O)c1cnc(cn1)C=O AB65854 [0,2,0,0,0,0|2,0,0]=4 681 B12R1.5 COC(=O)c1cnc(nc1)C#C AB69147 [0,2,0,0,0,0|2,0,0]=4 682 B12R1.5 COC(=O)c1cnc(nc1)CCl AB58933 [0,2,0,0,0,0|2,0,0]=4 683 B12R1.5 COC(=O)c1cnc(nc1)SC PB24623 [0,2,0,0,0,0|2,0,0]=4 684 B12R1.5 COC(=O)c1ncc(cn1)C#C AB69125 [0,2,0,0,0,0|2,0,0]=4 685 B12R1.5 COc1ccc(cc1)C(=N)OC AB04684 [0,2,0,0,0,0|1,0,0]=3 686 B12R1.5 COc1ccc(cc1)C(=O)C#N MB03942 [0,2,0,0,0,0|2,0,0]=4 687 B12R1.5 COc1ccc(cc1)C(=O)C=O AB05250 [0,2,0,0,0,0|2,0,0]=4 688 B12R1.5 COc1ccc(cc1)C(=O)C=O AB05286 [0,2,0,0,0,0|2,0,0]=4 689 B12R1.5 COc1ccc(cn1)C(=O)OC PB33918 [0,2,0,0,0,0|1,0,0]=3 690 B12R1.5 COc1ccc(nc1)C(=O)OC PB10973 [0,2,0,0,0,0|1,0,0]=3 691 B12R1.5 CSc1ccc(cc1)C(=O)C=O AB48690 [0,2,0,0,0,0|2,0,0]=4 692 B12R1.5 c1cc(ccc1C#N)C(=O)C=O AB14104 [0,2,0,0,0,0|2,0,0]=4 693 B12R1.5 c1cc(ccc1C#N)C(=O)C=O AB44430 [0,2,0,0,0,0|2,0,0]=4 694 B12R1.5 c1cc(ccc1CN)C(=O)C=O AB23361 [0,2,0,0,0,0|2,0,0]=4 695 B12R1.20 CN(C)C(=O)c1ccc(cc1)O MB01715 [0,2,0,0,0,0|1,0,0]=3 696 B12R1.20 CN(C)C(=O)c1ccc(cn1)O MB24451 [0,2,0,0,0,0|2,0,0]=4 697 B12R1.20 CN(C)C(=O)c1ccc(nc1)Br MB14271 [0,2,0,0,0,0|2,0,0]=4 698 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)O MB09386 [0,2,0,0,0,0|1,0,0]=3 699 B12R1.367 CNC(=O)c1ccc(c(c1)F)O MB25391 [0,2,0,0,0,0|1,0,0]=3 700 B12R1.367 CNC(=O)c1ccc(c(c1)I)O MB25392 [0,2,0,0,0,0|1,0,0]=3 701 B12R1.367 CNC(=O)c1ccc(c(c1)N)O MB35206 [0,2,0,0,0,0|1,0,0]=3 702 B12R1.367 CNC(=O)c1ccc(c(c1)O)Br MB35713 [0,2,0,0,0,0|1,0,0]=3 703 B12R1.367 CNC(=O)c1ccc(c(c1)O)Cl MB32480 [0,2,0,0,0,0|1,0,0]=3 704 B12R1.367 CNC(=O)c1ccc(c(c1)O)F MB25339 [0,2,0,0,0,0|1,0,0]=3 705 B12R1.367 CNC(=O)c1ccc(c(c1)O)I MB25347 [0,2,0,0,0,0|1,0,0]=3 706 B12R1.367 CNC(=O)c1ccc(c(c1)O)N MB25356 [0,2,0,0,0,0|1,0,0]=3 707 B12R1.367 COC(=O)c1cc(c(cn1)F)N AB73600 [0,2,0,0,0,0|1,0,0]=3 708 B12R1.367 COC(=O)c1cc(c(cn1)O)O PB34753 [0,2,0,0,0,0|1,0,0]=3 709 B12R1.367 COC(=O)c1cc(c(nc1)Cl)N AB11451 [0,2,0,0,0,0|1,0,0]=3 710 B12R1.367 COC(=O)c1cc(c(nc1)I)N AB73548 [0,2,0,0,0,0|1,0,0]=3 711 B12R1.367 COC(=O)c1cc(c(nc1)N)Br AB25976 [0,2,0,0,0,0|1,0,0]=3 712 B12R1.367 COC(=O)c1cc(c(nc1)N)Cl AB66518 [0,2,0,0,0,0|1,0,0]=3 713 B12R1.367 COC(=O)c1cc(c(nc1)N)F AB73570 [0,2,0,0,0,0|1,0,0]=3 714 B12R1.367 COC(=O)c1cc(c(nc1)N)N AB64509 [0,2,0,0,0,0|1,0,0]=3 715 B12R1.367 COC(=O)c1cc(c(nc1)N)O AB73573 [0,2,0,0,0,0|1,0,0]=3 716 B12R1.367 COC(=O)c1cc(c(nc1)O)N AB63058 [0,2,0,0,0,0|1,0,0]=3 717 B12R1.367 COC(=O)c1cc(c(nc1)O)O PB37505 [0,2,0,0,0,0|1,0,0]=3 718 B12R1.367 COC(=O)c1ccc(c(c1)Br)F AB21248 [0,2,0,0,0,0|0,0,0]=2 719 B12R1.367 COC(=O)c1ccc(c(c1)N)Br CB10400 [0,2,0,0,0,0|0,0,0]=2 720 B12R1.367 COC(=O)c1ccc(c(c1)N)Cl AB15542 [0,2,0,0,0,0|0,0,0]=2 721 B12R1.367 COC(=O)c1ccc(c(c1)O)Br AB43030 [0,2,0,0,0,0|0,0,0]=2 722 B12R1.367 COC(=O)c1ccc(c(c1)O)Cl AB64117 [0,2,0,0,0,0|0,0,0]=2 723 B12R1.367 COC(=O)c1ccc(c(n1)N)Cl AB73568 [0,2,0,0,0,0|1,0,0]=3 724 B12R1.367 COC(=O)c1ccc(c(n1)N)N AB60256 [0,2,0,0,0,0|1,0,0]=3 725 B12R1.367 COC(=O)c1ccc(c(n1)O)O PB20416 [0,2,0,0,0,0|1,0,0]=3 726 B12R1.367 COC(=O)c1cnc(c(n1)Br)N PB34445 [0,2,0,0,0,0|2,0,0]=4 727 B12R1.367 COC(=O)c1cnc(c(n1)I)N PB33717 [0,2,0,0,0,0|2,0,0]=4 728 B12R1.367 Cc1cc(ccc1Cl)C(=O)C=O AB45361 [0,2,0,0,0,0|2,0,0]=4 729 B12R1.367 Cc1cc(ccc1F)C(=O)C=O AB45373 [0,2,0,0,0,0|2,0,0]=4 730 B12R1.367 Cc1cc(ccc1O)C(=O)NC MB25368 [0,2,0,0,0,0|1,0,0]=3 731 B12R1.367 Cc1cc(cnc1N)C(=O)OC AB66393 [0,2,0,0,0,0|1,0,0]=3 732 B12R1.367 Cc1cc(ncc1Br)C(=O)OC AB41177 [0,2,0,0,0,0|1,0,0]=3 733 B12R1.367 Cc1cc(ncc1Cl)C(=O)OC AB72092 [0,2,0,0,0,0|1,0,0]=3 734 B12R1.367 Cc1cc(ncc1N)C(=O)OC PB11380 [0,2,0,0,0,0|1,0,0]=3 735 B12R1.367 Cc1ccc(cc1F)C(=O)OC AB23209 [0,2,0,0,0,0|0,0,0]=2 736 B12R1.367 Cc1ccc(cc1O)C(=O)NC AB63536 [0,2,0,0,0,0|1,0,0]=3 737 B12R1.367 Cc1ccc(cc1O)C(=O)OC AB04849 [0,2,0,0,0,0|0,0,0]=2 738 B12R1.367 Cc1ccc(nc1N)C(=O)OC AB73564 [0,2,0,0,0,0|1,0,0]=3 739 B12R1.367 Cc1cnc(cc1N)C(=O)OC AB73592 [0,2,0,0,0,0|1,0,0]=3 740 B12R1.367 Cn1cc(ccc1=O)C(=O)OC PB10057 [0,2,0,0,0,0|1,0,0]=3 741 B12R1.367 Cn1ccc(cc1=O)C(=O)OC PB27549 [0,2,0,0,0,0|1,0,0]=3 742 B12R1.367 c1cc(c(cc1C(=O)C=O)Cl)Cl AB48679 [0,2,0,0,0,0|2,0,0]=4 743 B12R1.367 c1cc(c(cc1C(=O)C=O)F)F AB15499 [0,2,0,0,0,0|2,0,0]=4 744 B12R1.367 c1cc(c(cc1C(=O)NN)N)O AB01234 [0,2,0,0,0,0|2,0,0]=4 745 B12R1.1703 CCC(=O)c1ccc(cc1F)Br MB09679 [0,2,0,0,0,0|1,0,0]=3 746 B12R1.1703 CNC(=O)c1ccc(cc1Br)O MB30771 [0,2,0,0,0,0|1,0,0]=3 747 B12R1.1703 CNC(=O)c1ccc(cc1Cl)O MB37760 [0,2,0,0,0,0|1,0,0]=3 748 B12R1.1703 CNC(=O)c1ccc(cc1F)O MB34809 [0,2,0,0,0,0|1,0,0]=3 749 B12R1.1703 CNC(=O)c1ccc(cc1I)O MB34084 [0,2,0,0,0,0|1,0,0]=3 750 B12R1.1703 CNC(=O)c1ccc(cc1N)Br AB65732 [0,2,0,0,0,0|1,0,0]=3 751 B12R1.1703 CNC(=O)c1ccc(cc1N)Cl AB49593 [0,2,0,0,0,0|1,0,0]=3 752 B12R1.1703 CNC(=O)c1ccc(cc1N)O MB30252 [0,2,0,0,0,0|1,0,0]=3 753 B12R1.1703 CNC(=O)c1ccc(cc1O)Br MB14847 [0,2,0,0,0,0|1,0,0]=3 754 B12R1.1703 CNC(=O)c1ccc(cc1O)Cl MB09389 [0,2,0,0,0,0|1,0,0]=3 755 B12R1.1703 CNC(=O)c1ccc(cc1O)F MB25343 [0,2,0,0,0,0|1,0,0]=3 756 B12R1.1703 CNC(=O)c1ccc(cc1O)I MB25350 [0,2,0,0,0,0|1,0,0]=3 757 B12R1.1703 CNC(=O)c1ccc(cc1O)N MB25357 [0,2,0,0,0,0|1,0,0]=3 758 B12R1.1703 COC(=O)c1c(cc(cn1)Br)N PB33334 [0,2,0,0,0,0|1,0,0]=3 759 B12R1.1703 COC(=O)c1c(cc(nn1)Cl)Cl AB55529 [0,2,0,0,0,0|2,0,0]=4 760 B12R1.1703 COC(=O)c1c(cc(nn1)O)O AB55526 [0,2,0,0,0,0|2,0,0]=4 761 B12R1.1703 COC(=O)c1c(nc(cn1)Cl)Cl AB55524 [0,2,0,0,0,0|2,0,0]=4 762 B12R1.1703 COC(=O)c1c(nc(cn1)Cl)N AB62862 [0,2,0,0,0,0|2,0,0]=4 763 B12R1.1703 COC(=O)c1c(nc(cn1)N)N AB64401 [0,2,0,0,0,0|2,0,0]=4 764 B12R1.1703 COC(=O)c1c(nc(cn1)O)N AB64394 [0,2,0,0,0,0|2,0,0]=4 765 B12R1.1703 COC(=O)c1ccc(cc1Br)F AB23216 [0,2,0,0,0,0|0,0,0]=2 766 B12R1.1703 COC(=O)c1ccc(cc1Cl)F PB10114 [0,2,0,0,0,0|0,0,0]=2 767 B12R1.1703 COC(=O)c1ccc(nc1Br)N AB73582 [0,2,0,0,0,0|1,0,0]=3 768 B12R1.1703 COC(=O)c1ccc(nc1Cl)N AB70592 [0,2,0,0,0,0|1,0,0]=3 769 B12R1.1703 COC(=O)c1ccc(nc1F)F AB48567 [0,2,0,0,0,0|1,0,0]=3 770 B12R1.1703 COC(=O)c1ccc(nc1N)Cl PB30193 [0,2,0,0,0,0|1,0,0]=3 771 B12R1.1703 COC(=O)c1cnc(cc1Br)N AB73580 [0,2,0,0,0,0|1,0,0]=3 772 B12R1.1703 COC(=O)c1cnc(cc1Cl)Cl PB23404 [0,2,0,0,0,0|1,0,0]=3 773 B12R1.1703 COC(=O)c1cnc(cc1Cl)N AB73574 [0,2,0,0,0,0|1,0,0]=3 774 B12R1.1703 COC(=O)c1cnc(nc1Cl)Cl AB55091 [0,2,0,0,0,0|2,0,0]=4 775 B12R1.1703 COC(=O)c1cnc(nc1N)Cl AB70540 [0,2,0,0,0,0|2,0,0]=4 776 B12R1.1703 Cc1c(ccc(n1)N)C(=O)OC AB43431 [0,2,0,0,0,0|1,0,0]=3 777 B12R1.1703 Cc1c(ccc(n1)O)C(=O)OC AB64410 [0,2,0,0,0,0|1,0,0]=3 778 B12R1.1703 Cc1c(ncc(n1)Br)C(=O)OC AB85711 [0,2,0,0,0,0|2,0,0]=4 779 B12R1.1703 Cc1c(ncc(n1)Cl)C(=O)OC AB85680 [0,2,0,0,0,0|2,0,0]=4 780 B12R1.1703 Cc1cc(c(cn1)C(=O)OC)Br AB40710 [0,2,0,0,0,0|1,0,0]=3 781 B12R1.1703 Cc1cc(c(cn1)C(=O)OC)Cl AB40714 [0,2,0,0,0,0|1,0,0]=3 782 B12R1.1703 Cc1cc(ccc1C(=O)OC)Br AB55602 [0,2,0,0,0,0|0,0,0]=2 783 B12R1.1703 Cc1cc(cnc1C(=O)OC)Br AB41229 [0,2,0,0,0,0|1,0,0]=3 784 B12R1.1703 Cc1cc(cnc1C(=O)OC)Cl AB41234 [0,2,0,0,0,0|1,0,0]=3 785 B12R1.1703 Cc1ccc(c(c1)Br)C(=O)OC AB16571 [0,2,0,0,0,0|0,0,0]=2 786 B12R1.1703 Cc1ccc(c(c1)O)C(=O)NC MB09401 [0,2,0,0,0,0|1,0,0]=3 787 B12R1.1703 Cc1ccc(c(n1)O)C(=O)OC AB55505 [0,2,0,0,0,0|1,0,0]=3 788 B12R1.1703 Cc1cnc(c(n1)Cl)C(=O)OC AB60387 [0,2,0,0,0,0|2,0,0]=4 789 B12R1.1703 Cc1ncc(c(n1)N)C(=O)OC AB76360 [0,2,0,0,0,0|2,0,0]=4 790 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CN CB10300 [0,2,0,0,0,0|2,0,0]=4 791 B12R1.1703 c1cc(c(cc1F)F)C(=O)C=O AB14112 [0,2,0,0,0,0|2,0,0]=4 792 B12R1.1703 c1cc(c(cc1O)O)C(=O)CBr AB16102 [0,2,0,0,0,0|2,0,0]=4 793 B12R1.24 CNC(=O)c1cccc(c1Br)O MB27164 [0,2,0,0,0,0|1,0,0]=3 794 B12R1.24 CNC(=O)c1cccc(c1F)O MB28045 [0,2,0,0,0,0|1,0,0]=3 795 B12R1.24 CNC(=O)c1cccc(c1I)O MB29470 [0,2,0,0,0,0|1,0,0]=3 796 B12R1.24 CNC(=O)c1cccc(c1N)O MB36494 [0,2,0,0,0,0|1,0,0]=3 797 B12R1.24 CNC(=O)c1cccc(c1O)Br MB35529 [0,2,0,0,0,0|1,0,0]=3 798 B12R1.24 CNC(=O)c1cccc(c1O)F MB30084 [0,2,0,0,0,0|1,0,0]=3 799 B12R1.24 CNC(=O)c1cccc(c1O)I MB30159 [0,2,0,0,0,0|1,0,0]=3 800 B12R1.24 CNC(=O)c1cccc(c1O)N MB25677 [0,2,0,0,0,0|1,0,0]=3 801 B12R1.24 COC(=O)c1cccc(c1Br)N MB03033 [0,2,0,0,0,0|0,0,0]=2 802 B12R1.24 COC(=O)c1cccc(c1Cl)O AB68875 [0,2,0,0,0,0|0,0,0]=2 803 B12R1.24 COC(=O)c1cccc(c1F)Br MB07194 [0,2,0,0,0,0|0,0,0]=2 804 B12R1.24 COC(=O)c1cccc(c1O)N AB53733 [0,2,0,0,0,0|0,0,0]=2 805 B12R1.24 COC(=O)c1ccnc(c1N)Cl AB14204 [0,2,0,0,0,0|1,0,0]=3 806 B12R1.24 Cc1c(cccc1O)C(=O)NC MB30831 [0,2,0,0,0,0|1,0,0]=3 807 B12R1.24 Cc1c(ccnc1Cl)C(=O)OC AB44663 [0,2,0,0,0,0|1,0,0]=3 808 B12R1.24 Cc1cccc(c1N)C(=O)OC PB29358 [0,2,0,0,0,0|0,0,0]=2 809 B12R1.24 Cc1cccc(c1O)C(=O)NC MB09397 [0,2,0,0,0,0|1,0,0]=3 810 B12R1.24 Cn1cccc(c1=O)C(=O)OC PB26031 [0,2,0,0,0,0|1,0,0]=3 811 B12R1.24 c1cc(c(c(c1)Cl)Cl)C(=O)NN MB02428 [0,2,0,0,0,0|2,0,0]=4 812 B12R1.24 c1cc(c(c(c1)F)F)C(=O)NN MB02362 [0,2,0,0,0,0|2,0,0]=4 813 B12R1.225 CC(C(=O)c1cccc(c1)Cl)Br AB15749 [0,2,0,0,0,0|1,0,0]=3 814 B12R1.225 CC(C(=O)c1cccc(c1)Cl)Cl AB18155 [0,2,0,0,0,0|1,0,0]=3 815 B12R1.225 CN(C)C(=O)c1cc(ccn1)Br MB11675 [0,2,0,0,0,0|2,0,0]=4 816 B12R1.225 CN(C)C(=O)c1cc(ccn1)N AB65385 [0,2,0,0,0,0|2,0,0]=4 817 B12R1.225 CN(C)C(=O)c1cc(ccn1)O MB24552 [0,2,0,0,0,0|2,0,0]=4 818 B12R1.225 CN(C)C(=O)c1cc(cnc1)Br MB02048 [0,2,0,0,0,0|2,0,0]=4 819 B12R1.225 CN(C)C(=O)c1cc(cnc1)O MB24547 [0,2,0,0,0,0|2,0,0]=4 820 B12R1.225 CN(C)C(=O)c1cccc(c1)O MB01711 [0,2,0,0,0,0|1,0,0]=3 821 B12R1.225 CN(C)C(=O)c1cccc(n1)Br MB14272 [0,2,0,0,0,0|2,0,0]=4 822 B12R1.225 CN(C)C(=O)c1ccnc(c1)Br MB02753 [0,2,0,0,0,0|2,0,0]=4 823 B12R1.354 CCC(=O)c1cc(ccc1F)Br MB09680 [0,2,0,0,0,0|1,0,0]=3 824 B12R1.354 CNC(=O)c1cc(ccc1Br)O MB25272 [0,2,0,0,0,0|1,0,0]=3 825 B12R1.354 CNC(=O)c1cc(ccc1Cl)O MB25276 [0,2,0,0,0,0|1,0,0]=3 826 B12R1.354 CNC(=O)c1cc(ccc1F)O MB25242 [0,2,0,0,0,0|1,0,0]=3 827 B12R1.354 CNC(=O)c1cc(ccc1I)O MB25246 [0,2,0,0,0,0|1,0,0]=3 828 B12R1.354 CNC(=O)c1cc(ccc1N)O MB25249 [0,2,0,0,0,0|1,0,0]=3 829 B12R1.354 CNC(=O)c1cc(ccc1O)Br MB06709 [0,2,0,0,0,0|1,0,0]=3 830 B12R1.354 CNC(=O)c1cc(ccc1O)Cl MB09405 [0,2,0,0,0,0|1,0,0]=3 831 B12R1.354 CNC(=O)c1cc(ccc1O)F MB25156 [0,2,0,0,0,0|1,0,0]=3 832 B12R1.354 CNC(=O)c1cc(ccc1O)I MB25157 [0,2,0,0,0,0|1,0,0]=3 833 B12R1.354 CNC(=O)c1cc(ccc1O)N MB25165 [0,2,0,0,0,0|1,0,0]=3 834 B12R1.354 COC(=O)c1c(ccc(n1)Cl)N PB13808 [0,2,0,0,0,0|1,0,0]=3 835 B12R1.354 COC(=O)c1c(ncc(n1)Br)Br PB34663 [0,2,0,0,0,0|2,0,0]=4 836 B12R1.354 COC(=O)c1c(ncc(n1)Br)Cl AB72474 [0,2,0,0,0,0|2,0,0]=4 837 B12R1.354 COC(=O)c1c(ncc(n1)Br)N PB33922 [0,2,0,0,0,0|2,0,0]=4 838 B12R1.354 COC(=O)c1c(ncc(n1)Cl)Cl AB60390 [0,2,0,0,0,0|2,0,0]=4 839 B12R1.354 COC(=O)c1c(ncc(n1)Cl)N AB07403 [0,2,0,0,0,0|2,0,0]=4 840 B12R1.354 COC(=O)c1c(ncc(n1)Cl)O AB60443 [0,2,0,0,0,0|2,0,0]=4 841 B12R1.354 COC(=O)c1c(ncc(n1)I)N PB10772 [0,2,0,0,0,0|2,0,0]=4 842 B12R1.354 COC(=O)c1cc(ccc1Br)F AB03201 [0,2,0,0,0,0|0,0,0]=2 843 B12R1.354 COC(=O)c1cc(ccc1Br)N MB00599 [0,2,0,0,0,0|0,0,0]=2 844 B12R1.354 COC(=O)c1cc(cnc1Br)Br PB26964 [0,2,0,0,0,0|1,0,0]=3 845 B12R1.354 COC(=O)c1cc(cnc1Br)Cl AB70566 [0,2,0,0,0,0|1,0,0]=3 846 B12R1.354 COC(=O)c1cc(cnc1Br)F AB70569 [0,2,0,0,0,0|1,0,0]=3 847 B12R1.354 COC(=O)c1cc(cnc1Cl)Br PB26106 [0,2,0,0,0,0|1,0,0]=3 848 B12R1.354 COC(=O)c1cc(cnc1Cl)Cl AB16809 [0,2,0,0,0,0|1,0,0]=3 849 B12R1.354 COC(=O)c1cc(cnc1Cl)F AB51576 [0,2,0,0,0,0|1,0,0]=3 850 B12R1.354 COC(=O)c1cc(cnc1Cl)N AB64794 [0,2,0,0,0,0|1,0,0]=3 851 B12R1.354 COC(=O)c1cc(cnc1N)Br PB15783 [0,2,0,0,0,0|1,0,0]=3 852 B12R1.354 COC(=O)c1cc(cnc1N)Cl AB49362 [0,2,0,0,0,0|1,0,0]=3 853 B12R1.354 COC(=O)c1cc(cnc1O)Br PB22109 [0,2,0,0,0,0|1,0,0]=3 854 B12R1.354 COC(=O)c1cc(cnc1O)Cl AB44644 [0,2,0,0,0,0|1,0,0]=3 855 B12R1.354 COC(=O)c1cc(cnc1O)I AB43751 [0,2,0,0,0,0|1,0,0]=3 856 B12R1.354 COC(=O)c1cc(ncc1Br)Cl AB41198 [0,2,0,0,0,0|1,0,0]=3 857 B12R1.354 COC(=O)c1cc(ncc1N)Br PB19740 [0,2,0,0,0,0|1,0,0]=3 858 B12R1.354 COC(=O)c1cc(nnc1Cl)Cl PB33095 [0,2,0,0,0,0|2,0,0]=4 859 B12R1.354 Cc1c(cc(cn1)Cl)C(=O)OC CB11364 [0,2,0,0,0,0|1,0,0]=3 860 B12R1.354 Cc1c(cc(cn1)F)C(=O)OC AB74561 [0,2,0,0,0,0|1,0,0]=3 861 B12R1.354 Cc1cc(c(nc1)Cl)C(=O)OC AB41818 [0,2,0,0,0,0|1,0,0]=3 862 B12R1.354 Cc1ccc(c(c1)C(=O)NC)O MB09387 [0,2,0,0,0,0|1,0,0]=3 863 B12R1.354 Cc1ccc(cc1C(=O)NC)O MB25214 [0,2,0,0,0,0|1,0,0]=3 864 B12R1.354 Cc1ccc(cc1C(=O)OC)Br AB53585 [0,2,0,0,0,0|0,0,0]=2 865 B12R1.354 Cc1ccc(cc1C(=O)OC)O CB11516 [0,2,0,0,0,0|0,0,0]=2 866 B12R1.354 c1cc(c(cc1F)C(=O)C=O)F AB49787 [0,2,0,0,0,0|2,0,0]=4 867 B12R1.354 c1cc(c(cc1F)C(=O)CCl)F AB20618 [0,2,0,0,0,0|2,0,0]=4 868 B12R1.358 CNC(=O)c1cc(cc(c1)Br)O MB25211 [0,2,0,0,0,0|1,0,0]=3 869 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)O MB25212 [0,2,0,0,0,0|1,0,0]=3 870 B12R1.358 CNC(=O)c1cc(cc(c1)F)O MB25196 [0,2,0,0,0,0|1,0,0]=3 871 B12R1.358 CNC(=O)c1cc(cc(c1)I)O MB25199 [0,2,0,0,0,0|1,0,0]=3 872 B12R1.358 CNC(=O)c1cc(cc(c1)O)N MB25164 [0,2,0,0,0,0|1,0,0]=3 873 B12R1.358 COC(=O)c1cc(cc(n1)N)Cl AB63628 [0,2,0,0,0,0|1,0,0]=3 874 B12R1.358 COC(=O)c1cc(cc(n1)O)Cl AB67982 [0,2,0,0,0,0|1,0,0]=3 875 B12R1.358 COC(=O)c1cc(nc(c1)Br)Br PB26605 [0,2,0,0,0,0|1,0,0]=3 876 B12R1.358 COC(=O)c1cc(nc(c1)Br)N AB70507 [0,2,0,0,0,0|1,0,0]=3 877 B12R1.358 Cc1cc(cc(c1)O)C(=O)NC MB25126 [0,2,0,0,0,0|1,0,0]=3 878 B12R1.358 Cc1cc(cc(n1)C(=O)OC)O AB66880 [0,2,0,0,0,0|1,0,0]=3 879 B12R1.358 Cc1cc(cc(n1)Cl)C(=O)OC AB17061 [0,2,0,0,0,0|1,0,0]=3 880 B12R1.358 Cc1cc(cc(n1)O)C(=O)OC AB66882 [0,2,0,0,0,0|1,0,0]=3 881 B12R1.358 Cc1cc(nc(c1)O)C(=O)OC AB67825 [0,2,0,0,0,0|1,0,0]=3 882 B12R1.358 Cc1cc(nc(n1)Cl)C(=O)OC AB03487 [0,2,0,0,0,0|2,0,0]=4 883 B12R1.358 c1c(cc(cc1O)O)C(=O)CBr AB13915 [0,2,0,0,0,0|2,0,0]=4 884 B12R1.435 COC(=N)c1cccc(c1)C=O AB61000 [0,2,0,0,0,0|1,0,0]=3 885 B12R1.435 COC(=N)c1cccc(c1)CBr AB70364 [0,2,0,0,0,0|1,0,0]=3 886 B12R1.435 COC(=O)c1cc(ccn1)C#C AB69039 [0,2,0,0,0,0|1,0,0]=3 887 B12R1.435 COC(=O)c1cc(ccn1)CBr AB31491 [0,2,0,0,0,0|1,0,0]=3 888 B12R1.435 COC(=O)c1cc(cnc1)C#N AB31365 [0,2,0,0,0,0|1,0,0]=3 889 B12R1.435 COC(=O)c1cc(cnc1)CBr CB11445 [0,2,0,0,0,0|1,0,0]=3 890 B12R1.435 COC(=O)c1cc(cnc1)CCl AB60042 [0,2,0,0,0,0|1,0,0]=3 891 B12R1.435 COC(=O)c1cc(ncn1)CCl AB58965 [0,2,0,0,0,0|2,0,0]=4 892 B12R1.435 COC(=O)c1cccc(c1)C#C AB48503 [0,2,0,0,0,0|0,0,0]=2 893 B12R1.435 COC(=O)c1cccc(n1)C#N AB31417 [0,2,0,0,0,0|1,0,0]=3 894 B12R1.435 COC(=O)c1cccc(n1)C=O AB31420 [0,2,0,0,0,0|1,0,0]=3 895 B12R1.435 COC(=O)c1cccc(n1)CBr AB13868 [0,2,0,0,0,0|1,0,0]=3 896 B12R1.435 COC(=O)c1cccc(n1)CCl AB55277 [0,2,0,0,0,0|1,0,0]=3 897 B12R1.435 COC(=O)c1cccc(n1)CN AB49256 [0,2,0,0,0,0|1,0,0]=3 898 B12R1.435 COC(=O)c1cccc(n1)CO AB16738 [0,2,0,0,0,0|1,0,0]=3 899 B12R1.435 COC(=O)c1ccnc(c1)C#N AB31346 [0,2,0,0,0,0|1,0,0]=3 900 B12R1.435 COC(=O)c1ccnc(c1)CBr CB11443 [0,2,0,0,0,0|1,0,0]=3 901 B12R1.435 COC(=O)c1ccnc(n1)C#C AB69139 [0,2,0,0,0,0|2,0,0]=4 902 B12R1.435 COC(=O)c1nccc(n1)C=O AB58722 [0,2,0,0,0,0|2,0,0]=4 903 B12R1.435 COC(=O)c1nccc(n1)CN AB58852 [0,2,0,0,0,0|2,0,0]=4 904 B12R1.435 COc1cc(ccn1)C(=O)OC PB23599 [0,2,0,0,0,0|1,0,0]=3 905 B12R1.435 COc1cc(cnc1)C(=O)OC PB10663 [0,2,0,0,0,0|1,0,0]=3 906 B12R1.435 COc1cccc(c1)C(=N)OC AB60958 [0,2,0,0,0,0|1,0,0]=3 907 B12R1.435 COc1cccc(c1)C(=O)C=O AB29981 [0,2,0,0,0,0|2,0,0]=4 908 B12R1.435 COc1cccc(n1)C(=O)OC AB42523 [0,2,0,0,0,0|1,0,0]=3 909 B12R1.435 COc1ccnc(c1)C(=O)OC AB07787 [0,2,0,0,0,0|1,0,0]=3 910 B12R1.435 COc1cncc(n1)C(=O)OC AB11670 [0,2,0,0,0,0|2,0,0]=4 911 B12R1.435 c1cc(cc(c1)C(=O)C=O)C#N AB24852 [0,2,0,0,0,0|2,0,0]=4 912 B12R1.124 CN(C)C(=O)c1c(cccn1)O MB12021 [0,2,0,0,0,0|2,0,0]=4 913 B12R1.124 CN(C)C(=O)c1ccccc1O MB01180 [0,2,0,0,0,0|1,0,0]=3 914 B12R1.124 CN(C)C(=O)c1ccncc1O MB24543 [0,2,0,0,0,0|2,0,0]=4 915 B12R1.124 CN(C)C(=O)c1cnccc1O MB24550 [0,2,0,0,0,0|2,0,0]=4 916 B12R1.124 c1ccc(c(c1)C(=O)C(=O)O)Br CB10378 [0,2,0,0,0,0|2,0,0]=4 917 B12R1.124 c1ccc(c(c1)C(=O)C(=O)O)Cl AB24958 [0,2,0,0,0,0|2,0,0]=4 918 B12R1.124 c1ccc(c(c1)C(=O)C(=O)O)F AB28722 [0,2,0,0,0,0|2,0,0]=4 919 B12R1.77 CCC(=O)c1ccccc1C#C AB69159 [0,2,0,0,0,0|1,0,0]=3 920 B12R1.77 CNc1c(cccn1)C(=O)OC AB66270 [0,2,0,0,0,0|1,0,0]=3 921 B12R1.77 COC(=O)c1c(cccn1)C#C AB69078 [0,2,0,0,0,0|1,0,0]=3 922 B12R1.77 COC(=O)c1c(cccn1)C#N AB03603 [0,2,0,0,0,0|1,0,0]=3 923 B12R1.77 COC(=O)c1c(cccn1)CBr AB31487 [0,2,0,0,0,0|1,0,0]=3 924 B12R1.77 COC(=O)c1c(cccn1)CCl AB70258 [0,2,0,0,0,0|1,0,0]=3 925 B12R1.77 COC(=O)c1c(cccn1)CO AB76394 [0,2,0,0,0,0|1,0,0]=3 926 B12R1.77 COC(=O)c1c(nccn1)CBr AB74372 [0,2,0,0,0,0|2,0,0]=4 927 B12R1.77 COC(=O)c1ccccc1C#C AB65625 [0,2,0,0,0,0|0,0,0]=2 928 B12R1.77 COC(=O)c1ccccc1CBr AB14704 [0,2,0,0,0,0|0,0,0]=2 929 B12R1.77 COC(=O)c1cccnc1CBr AB71758 [0,2,0,0,0,0|1,0,0]=3 930 B12R1.77 COC(=O)c1cccnc1CCl MB08842 [0,2,0,0,0,0|1,0,0]=3 931 B12R1.77 COC(=O)c1ccncc1C#C AB69063 [0,2,0,0,0,0|1,0,0]=3 932 B12R1.77 COC(=O)c1ccncc1CBr AB64502 [0,2,0,0,0,0|1,0,0]=3 933 B12R1.77 COc1c(cccn1)C(=O)OC PB12422 [0,2,0,0,0,0|1,0,0]=3 934 B12R1.77 COc1ccccc1C(=N)OC AB60967 [0,2,0,0,0,0|1,0,0]=3 935 B12R1.77 COc1ccccc1C(=O)C=O AB29979 [0,2,0,0,0,0|2,0,0]=4 936 B12R1.3441 CNC(=O)c1c(cccc1Br)O MB25113 [0,2,0,0,0,0|1,0,0]=3 937 B12R1.3441 CNC(=O)c1c(cccc1Cl)O MB25117 [0,2,0,0,0,0|1,0,0]=3 938 B12R1.3441 CNC(=O)c1c(cccc1F)O MB25092 [0,2,0,0,0,0|1,0,0]=3 939 B12R1.3441 CNC(=O)c1c(cccc1I)O MB25096 [0,2,0,0,0,0|1,0,0]=3 940 B12R1.3441 CNC(=O)c1c(cccc1O)N MB25069 [0,2,0,0,0,0|1,0,0]=3 941 B12R1.3441 COC(=O)c1c(cccc1Br)Cl MB02960 [0,2,0,0,0,0|0,0,0]=2 942 B12R1.3441 COC(=O)c1c(cccc1F)N MB02037 [0,2,0,0,0,0|0,0,0]=2 943 B12R1.3441 COC(=O)c1c(ccnc1Cl)Cl PB14881 [0,2,0,0,0,0|1,0,0]=3 944 B12R1.3441 COC(=O)c1c(ccnc1Cl)I AB17422 [0,2,0,0,0,0|1,0,0]=3 945 B12R1.3441 COC(=O)c1c(ccnc1Cl)N PB30425 [0,2,0,0,0,0|1,0,0]=3 946 B12R1.3441 Cc1cccc(c1C(=O)NC)O MB25066 [0,2,0,0,0,0|1,0,0]=3 947 B12R1.3441 Cc1cccc(c1C(=O)OC)O MB04157 [0,2,0,0,0,0|0,0,0]=2 948 B12R1.3441 Cc1cn[nH]c(=O)c1C(=O)OC PB35705 [0,2,0,0,0,0|2,0,0]=4 949 B12R1.3441 c1cc(c(c(c1)F)C(=O)C=O)F AB49788 [0,2,0,0,0,0|2,0,0]=4 950 B10R1.20 COc1c(cccn1)C=O PB26137 [0,0,1,1,0,0|2,0,0]=4 951 B10R1.20 COc1ccccc1C=O AB00311 [0,0,1,1,0,0|2,0,0]=4 952 B10R1.27 COC(=O)Cc1ccsc1 PB15626 [0,0,1,1,0,0|1,0,1]=4 953 B10R1.172 COc1cccc(c1)C=O AB00318 [0,0,1,1,0,0|2,0,0]=4 954 B10R1.172 COc1cccc(n1)C=O AB22243 [0,0,1,1,0,0|2,0,0]=4 955 B10R2.7 c1ccc2c(c1)CNC2 MB01342 [1,0,0,1,0,0|1,0,1]=4 956 B10R2.7 c1ccc2c(c1)CNN2 AB31648 [1,0,0,1,0,0|2,0,0]=4 957 B12R2.18 Cn1c2ccccc2nc1Cl AB07066 [0,0,0,1,0,1|2,0,0]=4 958 B12R2.24 c1cc2c(nc1)CC(=O)NC2 AB77257 [0,0,0,1,0,1|2,0,0]=4 959 B12R2.24 c1cc2c(nc1)CCC(=O)C2 AB26260 [0,0,0,1,0,1|2,0,0]=4 960 B12R2.24 c1cc2c(nc1)NC(=O)CC2 PB12351 [0,0,0,1,0,1|2,0,0]=4 961 B12R2.24 c1ccc2c(c1)CC(=O)NC2 AB15535 [0,0,0,1,0,1|1,0,0]=3 962 B12R2.24 c1ccc2c(c1)NC(=O)CO2 AB04166 [0,0,0,1,0,1|2,0,0]=4 963 B12R2.24 c1ccc2c(c1)NCC(=O)N2 AB04744 [0,0,0,1,0,1|2,0,0]=4 964 B12R2.24 c1ccc2c(c1)c[nH]c(=O)n2 MB05981 [0,0,0,1,0,1|1,0,1]=4 965 B12R2.24 c1cncc2c1CC(=O)NC2 AB64881 [0,0,0,1,0,1|2,0,0]=4 966 B12R2.24 c1cncc2c1CCC(=O)N2 MB05928 [0,0,0,1,0,1|2,0,0]=4 967 B12R2.24 c1cncc2c1CNC(=O)C2 AB68337 [0,0,0,1,0,1|2,0,0]=4 968 B12R2.24 c1cncc2c1NC(=O)CC2 MB05707 [0,0,0,1,0,1|2,0,0]=4 969 B12R2.32 CNc1nc2ccccc2s1 AB01569 [0,0,0,1,0,1|1,1,0]=4 970 B12R2.48 c1ccc(cc1)C2(CC2)C=O AB62779 [0,1,0,1,0,0|1,0,1]=4 971 B12R2.116 c1ccc(cc1)C2(COC2)N PB24350 [0,1,0,1,0,0|1,0,1]=4 972 B12R2.116 c1ccc(cc1)C2(COC2)O PB13884 [0,1,0,1,0,0|0,0,2]=4 973 B12R2.1 COC1=NN=C2=C1C=CC=C2 PB34799 [0,1,0,1,0,0|1,0,1]=4 974 B12R2.1 c1ccc2c(c1)c(co2)C=O MB02776 [0,1,0,1,0,0|2,0,0]=4 975 B12R2.2 c1ccc(cc1)C2CCCO2 PB14199 [0,1,0,1,0,0|1,0,1]=4 976 B12R2.1081 c1cc2c(nc1)C(=O)CCC2 AB16309 [0,1,0,1,0,0|2,0,0]=4 977 B12R2.1081 c1cc2c(nc1)C(=O)COC2 AB74027 [0,1,0,1,0,0|1,0,0]=3 978 B12R2.1081 c1cc2c(nc1)C(=O)NCC2 AB71451 [0,1,0,1,0,0|2,0,0]=4 979 B12R2.1081 c1cc2c(nc1)CCCC2=O PB30737 [0,1,0,1,0,0|2,0,0]=4 980 B12R2.1081 c1cc2c(nc1)CCNC2=O AB07692 [0,1,0,1,0,0|2,0,0]=4 981 B12R2.1081 c1cc2c(nc1)OCCC2=O AB52763 [0,1,0,1,0,0|2,0,0]=4 982 B12R2.1081 c1ccc2c(c1)C(=O)CCN2 AB06711 [0,1,0,1,0,0|1,0,0]=3 983 B12R2.1081 c1ccc2c(c1)C(=O)CCO2 AB00814 [0,1,0,1,0,0|1,0,0]=3 984 B12R2.1081 c1ccc2c(c1)C(=O)CN=N2 MB06564 [0,1,0,1,0,0|2,0,0]=4 985 B12R2.1081 c1ccc2c(c1)CCNC2=O AB07451 [0,1,0,1,0,0|1,0,0]=3 986 B12R2.1081 c1ccc2c(c1)CCOC2=O MB01461 [0,1,0,1,0,0|0,0,0]=2 987 B12R2.1081 c1ccc2c(c1)CNCC2=O AB11544 [0,1,0,1,0,0|1,0,0]=3 988 B12R2.1081 c1ccc2c(c1)COCC2=O PB14717 [0,1,0,1,0,0|0,0,0]=2 989 B12R2.1081 c1ccc2c(c1)COCC2N PB29671 [0,1,0,1,0,0|1,0,1]=4 990 B12R2.1081 c1ccc2c(c1)COCC2O AB70306 [0,1,0,1,0,0|0,0,2]=4 991 B12R2.1081 c1cncc2c1C(=O)CCC2 AB43737 [0,1,0,1,0,0|2,0,0]=4 992 B12R2.1081 c1cncc2c1C(=O)NCC2 AB66644 [0,1,0,1,0,0|2,0,0]=4 993 B12R2.1081 c1cncc2c1CCCC2=O MB04519 [0,1,0,1,0,0|2,0,0]=4 994 B12R2.1081 c1cncc2c1CCNC2=O AB66641 [0,1,0,1,0,0|2,0,0]=4 995 B12R2.1081 c1cncc2c1OCCC2=O AB68939 [0,1,0,1,0,0|2,0,0]=4 996 B12R2.2028 B1(c2cccnc2C(=O)O1)O AB57835 [0,1,0,1,0,0|2,0,0]=4 997 B12R2.2028 Cn1c2ccccc2c(n1)Br PB19317 [0,1,0,1,0,0|2,0,0]=4 998 B12R2.2028 Cn1c2ccccc2c(n1)I PB31461 [0,1,0,1,0,0|2,0,0]=4 999 B12R2.2028 Cn1cc(c2c1cccc2)Br MB09274 [0,1,0,1,0,0|2,0,0]=4 1000 B12R2.2028 c1cc2c(nc1)C(=O)OC2=O PB28943 [0,1,0,1,0,0|1,0,1]=4 1001 B12R2.2028 c1cc2c(nc1)C(=O)OC2O AB59881 [0,1,0,1,0,0|1,0,0]=3 1002 B12R2.2028 c1ccc2c(c1)C(CC2=O)Br MB07683 [0,1,0,1,0,0|1,0,0]=3 1003 B12R2.2028 c1ccc2c(c1)C(CC2=O)N AB50544 [0,1,0,1,0,0|1,0,0]=3 1004 B12R2.2028 c1cncc2c1C(=O)OC2=O PB17052 [0,1,0,1,0,0|1,0,1]=4 1005 B12R2.2028 c1cncc2c1C(=O)OC2O AB59884 [0,1,0,1,0,0|1,0,0]=3 1006 B12R2.2028 c1cncc2c1C(OC2=O)O AB59886 [0,1,0,1,0,0|1,0,0]=3 1007 B12R2.612 B1(c2ccc(cc2CO1)F)O MB08883 [0,1,0,1,0,0|1,0,1]=4 1008 B12R2.612 Cc1cc2c(cn1)C(=O)NC2 AB76264 [0,1,0,1,0,0|2,0,0]=4 1009 B12R2.612 Cc1ccc2c(c1)CNC2=O MB07070 [0,1,0,1,0,0|1,0,0]=3 1010 B12R2.612 c1c2c(cnc1Br)C(=O)NC2 AB77325 [0,1,0,1,0,0|2,0,0]=4 1011 B12R2.612 c1c2c(cnc1Cl)C(=O)NC2 AB77327 [0,1,0,1,0,0|2,0,0]=4 1012 B12R2.612 c1c2c(cnc1Cl)C(=O)OC2 PB27327 [0,1,0,1,0,0|1,0,0]=3 1013 B12R2.612 c1cc(nc2c1C(=O)CC2)Br AB70085 [0,1,0,1,0,0|2,0,0]=4 1014 B12R2.612 c1cc(nc2c1C(=O)CC2)Cl AB64289 [0,1,0,1,0,0|2,0,0]=4 1015 B12R2.612 c1cc2c(cc1Br)CNC2=O PB29649 [0,1,0,1,0,0|1,0,0]=3 1016 B12R2.612 c1cc2c(cc1Br)OCC2=O AB45183 [0,1,0,1,0,0|2,0,0]=4 1017 B12R2.612 c1cc2c(cc1Cl)CCC2=O AB01874 [0,1,0,1,0,0|1,0,0]=3 1018 B12R2.612 c1cc2c(cc1Cl)CNC2=O MB05670 [0,1,0,1,0,0|1,0,0]=3 1019 B12R2.612 c1cc2c(cc1Cl)N=NC2=O AB60847 [0,1,0,1,0,0|2,0,0]=4 1020 B12R2.612 c1cc2c(cc1Cl)OCC2=O AB27747 [0,1,0,1,0,0|2,0,0]=4 1021 B12R2.612 c1cc2c(cc1F)CCC2=O AB01853 [0,1,0,1,0,0|1,0,0]=3 1022 B12R2.612 c1cc2c(cc1F)CNC2=O AB71859 [0,1,0,1,0,0|1,0,0]=3 1023 B12R2.612 c1cc2c(cc1F)OCC2=O AB51227 [0,1,0,1,0,0|2,0,0]=4 1024 B12R2.612 c1cc2c(cc1I)CCC2=O MB07544 [0,1,0,1,0,0|1,0,0]=3 1025 B12R2.612 c1cc2c(cc1N)CNC2=O PB14793 [0,1,0,1,0,0|1,0,0]=3 1026 B12R2.612 c1cc2c(cc1O)CNC2=O AB56006 [0,1,0,1,0,0|1,0,0]=3 1027 B12R2.132 B1(c2cc(ccc2CO1)N)O AB20321 [0,1,0,1,0,0|1,0,1]=4 1028 B12R2.132 Cc1cc2c(cn1)CNC2=O AB76267 [0,1,0,1,0,0|2,0,0]=4 1029 B12R2.132 Cc1ccc2c(c1)C(=O)NC2 AB49680 [0,1,0,1,0,0|1,0,0]=3 1030 B12R2.132 c1c(cnc2c1C(=O)CC2)Br AB70093 [0,1,0,1,0,0|2,0,0]=4 1031 B12R2.132 c1c(cnc2c1C(=O)CC2)Cl AB70090 [0,1,0,1,0,0|2,0,0]=4 1032 B12R2.132 c1c2c(cnc1Br)CNC2=O AB77501 [0,1,0,1,0,0|2,0,0]=4 1033 B12R2.132 c1c2c(cnc1Cl)CNC2=O AB77499 [0,1,0,1,0,0|2,0,0]=4 1034 B12R2.132 c1cc2c(cc1Br)C(=O)CC2 PB34016 [0,1,0,1,0,0|1,0,0]=3 1035 B12R2.132 c1cc2c(cc1Br)C(=O)CN2 AB27760 [0,1,0,1,0,0|2,0,0]=4 1036 B12R2.132 c1cc2c(cc1Br)C(=O)N=N2 AB60842 [0,1,0,1,0,0|2,0,0]=4 1037 B12R2.132 c1cc2c(cc1Br)C(=O)NC2 PB29879 [0,1,0,1,0,0|1,0,0]=3 1038 B12R2.132 c1cc2c(cc1Br)C(=O)OC2 PB15748 [0,1,0,1,0,0|0,0,0]=2 1039 B12R2.132 c1cc2c(cc1Cl)C(=O)CC2 PB14192 [0,1,0,1,0,0|1,0,0]=3 1040 B12R2.132 c1cc2c(cc1Cl)C(=O)CO2 AB03274 [0,1,0,1,0,0|2,0,0]=4 1041 B12R2.132 c1cc2c(cc1Cl)C(=O)N=N2 AB23768 [0,1,0,1,0,0|2,0,0]=4 1042 B12R2.132 c1cc2c(cc1Cl)C(=O)NC2 MB05675 [0,1,0,1,0,0|1,0,0]=3 1043 B12R2.132 c1cc2c(cc1F)C(=O)CC2 AB08649 [0,1,0,1,0,0|1,0,0]=3 1044 B12R2.132 c1cc2c(cc1F)C(=O)NC2 AB51004 [0,1,0,1,0,0|1,0,0]=3 1045 B12R2.132 c1cc2c(cc1I)C(=O)OC2 PB34159 [0,1,0,1,0,0|0,0,0]=2 1046 B12R2.132 c1cc2c(cc1N)C(=O)NC2 PB34386 [0,1,0,1,0,0|1,0,0]=3 1047 B12R2.132 c1cc2c(cc1N)C(=O)OC2 PB15617 [0,1,0,1,0,0|0,0,0]=2 1048 B12R2.132 c1cc2c(cc1O)C(=O)NC2 MB06080 [0,1,0,1,0,0|1,0,0]=3 1049 B12R2.196 c1cc2c(c(c1)Br)CCC2=O PB19935 [0,1,0,1,0,0|1,0,0]=3 1050 B12R2.196 c1cc2c(c(c1)Br)CNC2=O PB29648 [0,1,0,1,0,0|1,0,0]=3 1051 B12R2.196 c1cc2c(c(c1)Cl)CCC2=O PB25074 [0,1,0,1,0,0|1,0,0]=3 1052 B12R2.196 c1cc2c(c(c1)Cl)CNC2=O AB51011 [0,1,0,1,0,0|1,0,0]=3 1053 B12R2.196 c1cc2c(c(c1)F)CCC2=O AB07191 [0,1,0,1,0,0|1,0,0]=3 1054 B12R2.196 c1cc2c(c(c1)F)CNC2=O AB66630 [0,1,0,1,0,0|1,0,0]=3 1055 B12R2.196 c1cc2c(c(c1)F)OCC2=O MB06387 [0,1,0,1,0,0|2,0,0]=4 1056 B12R2.196 c1cc2c(c(c1)I)CCC2=O MB07542 [0,1,0,1,0,0|1,0,0]=3 1057 B12R2.196 c1cc2c(c(c1)N)CNC2=O PB14554 [0,1,0,1,0,0|1,0,0]=3 1058 B12R2.196 c1cc2c(c(c1)O)CNC2=O AB56005 [0,1,0,1,0,0|1,0,0]=3 1059 B12R2.203 c1cc2c(c(c1)Br)C(=O)N=N2 PB19342 [0,1,0,1,0,0|2,0,0]=4 1060 B12R2.203 c1cc2c(c(c1)Br)C(=O)NC2 AB64823 [0,1,0,1,0,0|1,0,0]=3 1061 B12R2.203 c1cc2c(c(c1)Cl)C(=O)NC2 MB07456 [0,1,0,1,0,0|1,0,0]=3 1062 B12R2.203 c1cc2c(c(c1)F)C(=O)CC2 MB04473 [0,1,0,1,0,0|1,0,0]=3 1063 B12R2.203 c1cc2c(c(c1)N)C(=O)NC2 PB34384 [0,1,0,1,0,0|1,0,0]=3 1064 B8R1.7 C1C=C(C=N1)C(=O)O MB01464 [1,0,0,0,1,0|1,0,1]=4 1065 B8R1.7 CC(=O)C1=CN=CC1 AB02749 [1,0,0,0,1,0|1,0,1]=4 1066 B8R1.7 CC(=O)c1ccsc1 PB17033 [1,0,0,0,1,0|1,0,0]=3 1067 B8R1.7 CC(=O)c1cocn1 AB73503 [1,0,0,0,1,0|2,0,0]=4 1068 B8R1.7 CC(=O)c1ncco1 AB42105 [1,0,0,0,1,0|2,0,0]=4 1069 B8R1.7 c1c(con1)C(=O)O AB27926 [1,0,0,0,1,0|2,0,0]=4 1070 B8R1.7 c1c(csn1)C(=O)O AB48586 [1,0,0,0,1,0|2,0,0]=4 1071 B8R1.7 c1c(nco1)C(=O)O PB14470 [1,0,0,0,1,0|2,0,0]=4 1072 B8R1.7 c1c(ncs1)C(=O)O AB06561 [1,0,0,0,1,0|2,0,0]=4 1073 B8R1.7 c1c(ocn1)C(=O)O AB19293 [1,0,0,0,1,0|2,0,0]=4 1074 B8R1.7 c1c(scn1)C(=O)O AB15430 [1,0,0,0,1,0|2,0,0]=4 1075 B8R1.7 c1cnsc1C(=O)O AB32452 [1,0,0,0,1,0|2,0,0]=4 1076 B8R1.7 c1coc(n1)C(=O)O AB19305 [1,0,0,0,1,0|2,0,0]=4 1077 B8R1.7 c1cocc1C(=O)O PB30525 [1,0,0,0,1,0|1,0,0]=3 1078 B8R1.7 c1conc1C(=O)O PB26232 [1,0,0,0,1,0|2,0,0]=4 1079 B8R1.7 c1csc(n1)C(=O)O AB10888 [1,0,0,0,1,0|2,0,0]=4 1080 B8R1.7 c1cscc1C(=O)O PB18386 [1,0,0,0,1,0|1,0,0]=3 1081 B8R1.7 c1csnc1C(=O)O PB34433 [1,0,0,0,1,0|2,0,0]=4 1082 B12R1.27 c1ccc(cc1)COC(=O)CN CB10135 [0,0,0,0,0,2|2,0,0]=4