0 B10R1.15 CCC(=O)c1ccccn1 AB01373 [1,0,0,0,0,0|1,0,1]=3 1 B10R1.15 CCC(=O)c1cnccn1 PB23991 [1,0,0,0,0,0|2,0,1]=4 2 B10R1.15 CNC(=O)c1cnccn1 AB70331 [1,0,0,0,0,0|3,0,0]=4 3 B10R1.15 COC(=O)c1cccnn1 PB28168 [1,0,0,0,0,0|3,0,0]=4 4 B10R1.15 COC(=O)c1ccncn1 PB15680 [1,0,0,0,0,0|3,0,0]=4 5 B10R1.15 COC(=O)c1ccnnc1 PB31452 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.15 COC(=O)c1cncnc1 PB15822 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.15 COC(=O)c1ncccn1 PB20045 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.15 C[C@@H](CN)c1ccccc1 AB04898 [1,0,0,0,0,0|1,0,2]=4 9 B10R1.15 C[C@H](CN)c1ccccc1 AB04902 [1,0,0,0,0,0|1,0,2]=4 10 B10R1.15 c1cc(cnc1)C(=O)C=O AB62325 [1,0,0,0,0,0|2,0,0]=3 11 B10R1.15 c1cc(cnc1)C(=O)CBr AB02174 [1,0,0,0,0,0|2,0,1]=4 12 B10R1.15 c1cc(cnc1)C(=O)CBr AB44461 [1,0,0,0,0,0|2,0,1]=4 13 B10R1.15 c1cc(cnc1)C(=O)CCl MB06839 [1,0,0,0,0,0|2,0,1]=4 14 B10R1.15 c1ccc(cc1)C(=O)C=O AB00817 [1,0,0,0,0,0|1,0,0]=2 15 B10R1.15 c1ccc(cc1)C(=O)C=O AB03966 [1,0,0,0,0,0|1,0,0]=2 16 B10R1.15 c1ccc(cc1)C(=O)NN AB00887 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.15 c1ccnc(c1)C(=O)C=O AB62330 [1,0,0,0,0,0|2,0,0]=3 18 B10R1.15 c1ccnc(c1)C(=O)CBr AB23665 [1,0,0,0,0,0|2,0,1]=4 19 B10R1.15 c1cnccc1C(=O)C=O AB62328 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.15 c1cnccc1C(=O)CBr AB12154 [1,0,0,0,0,0|2,0,1]=4 21 B12R1.478 CNC(c1ccccc1)C(=O)O AB08751 [0,1,0,0,0,0|1,0,1]=3 22 B12R1.478 c1ccc(cc1)C(CN)C(=O)O AB11929 [0,1,0,0,0,0|1,0,2]=4 23 B12R1.478 c1ccc(cc1)[C@H](CN)C(=O)O AB62462 [0,1,0,0,0,0|1,0,2]=4 24 B12R2.1 C1=CC2C(=NN=C2C=O)C=C1 MB10044 [0,0,0,1,0,0|2,0,1]=4 25 B12R2.1 C1=CC2C(=NN=C2C=O)C=C1 PB29329 [0,0,0,1,0,0|2,0,1]=4 26 B12R2.1 C1C=C2C(=C(C=N2)C=O)C=N1 PB10578 [0,0,0,1,0,0|2,0,1]=4 27 B12R2.1 C1C=CN=C2C1=NC=C2C=O AB65002 [0,0,0,1,0,0|2,0,1]=4 28 B12R2.1 c1ccc2c(c1)c(co2)C=O MB02776 [0,0,0,1,0,0|1,0,0]=2 29 B12R2.1 c1ccn2c(c1)c(cn2)C=O AB28440 [0,0,0,1,0,0|2,0,0]=3 30 B12R2.1 c1ccn2c(c1)ccc2C=O AB60669 [0,0,0,1,0,0|1,0,1]=3 31 B12R2.1 c1ccn2c(c1)cnc2C=O AB48941 [0,0,0,1,0,0|2,0,1]=4 32 B12R2.1 c1ccn2c(c1)ncc2C=O AB42413 [0,0,0,1,0,0|2,0,0]=3 33 B12R2.1 c1ccn2cnc(c2c1)C=O AB28965 [0,0,0,1,0,0|2,0,1]=4 34 B12R2.1 c1cn2c(cnc2cn1)C=O AB49196 [0,0,0,1,0,0|3,0,0]=4 35 B12R2.1 c1cn2ccncc2c1C=O CB11533 [0,0,0,1,0,0|2,0,1]=4 36 B12R2.1 c1cnc2ncc(n2c1)C=O AB49199 [0,0,0,1,0,0|3,0,0]=4 37 B12R2.2 c1ccc(cc1)C2=CN=NC2 AB06118 [0,0,0,1,0,0|2,0,1]=4 38 B12R2.2 c1cnccc1C2=CCN=N2 AB03476 [0,0,0,1,0,0|3,0,0]=4 39 B12R2.48 c1ccc(cc1)C2(CC2)C=O AB62779 [0,0,0,1,0,0|0,0,2]=3 40 B9R1.6 C=C(c1ccccn1)Br AB31950 [2,0,0,0,0,0|2,0,0]=4 41 B9R1.6 CC(=O)c1ccccn1 AB00686 [2,0,0,0,0,0|1,0,0]=3 42 B9R1.6 CC(=O)c1cccnc1 AB00750 [2,0,0,0,0,0|1,0,0]=3 43 B9R1.6 CC(=O)c1cccnn1 PB16551 [2,0,0,0,0,0|2,0,0]=4 44 B9R1.6 CC(=O)c1ccncc1 AB00760 [2,0,0,0,0,0|1,0,0]=3 45 B9R1.6 CC(=O)c1ccncn1 PB17606 [2,0,0,0,0,0|2,0,0]=4 46 B9R1.6 CC(=O)c1ccnnc1 PB26895 [2,0,0,0,0,0|2,0,0]=4 47 B9R1.6 CC(=O)c1cnccn1 AB00602 [2,0,0,0,0,0|2,0,0]=4 48 B9R1.6 CC(=O)c1cncnc1 PB20327 [2,0,0,0,0,0|2,0,0]=4 49 B9R1.6 CC(=O)c1ncccn1 PB34295 [2,0,0,0,0,0|2,0,0]=4 50 B9R1.6 CC(c1ccccc1)Cl AB01249 [2,0,0,0,0,0|1,0,1]=4 51 B9R1.6 c1ccc(cc1)C(=N)N AB01943 [2,0,0,0,0,0|2,0,0]=4 52 B9R1.6 c1ccnc(c1)C(=O)O AB00685 [2,0,0,0,0,0|2,0,0]=4 53 B9R1.6 c1cnccc1C(=O)O AB00757 [2,0,0,0,0,0|2,0,0]=4 54 B9R1.8 c1ccc(cc1)\C=C\Br AB00116 [2,0,0,0,0,0|1,0,0]=3 55 B9R1.8 c1ccc(cc1)\C=N/O AB02488 [2,0,0,0,0,0|1,0,1]=4 56 B9R1.8 c1ccnc(c1)CC=O AB61426 [2,0,0,0,0,0|1,0,1]=4 57 B11R1.16 CCOC(=O)c1cccnc1 AB00748 [1,1,0,0,0,0|1,0,1]=4 58 B11R1.16 CNCC(=O)c1ccccc1 AB16229 [1,1,0,0,0,0|0,0,1]=3 59 B11R1.16 C[C@@H](c1ccccc1)N=C=O AB00191 [1,1,0,0,0,0|0,0,2]=4 60 B11R1.16 C[C@H](c1ccccc1)N=C=O AB02484 [1,1,0,0,0,0|0,0,2]=4 61 B11R1.16 c1ccc(cc1)C(=O)OCCl AB01791 [1,1,0,0,0,0|1,0,0]=3 62 B11R1.22 CCC(=O)c1ccc(cn1)Br AB68534 [1,1,0,0,0,0|1,0,1]=4 63 B11R1.22 CNC(=O)c1ccc(cc1)O MB02709 [1,1,0,0,0,0|1,0,0]=3 64 B11R1.22 CNC(=O)c1ccc(cn1)O MB11446 [1,1,0,0,0,0|2,0,0]=4 65 B11R1.22 CNC(=O)c1ccc(nc1)Br MB07978 [1,1,0,0,0,0|2,0,0]=4 66 B11R1.22 COC(=N)c1ccc(cc1)F AB60956 [1,1,0,0,0,0|2,0,0]=4 67 B11R1.22 COC(=N)c1ccc(cc1)N AB60980 [1,1,0,0,0,0|2,0,0]=4 68 B11R1.22 COC(=N)c1ccc(cc1)O AB01949 [1,1,0,0,0,0|2,0,0]=4 69 B11R1.22 COC(=O)c1ccc(cn1)Br PB29312 [1,1,0,0,0,0|2,0,0]=4 70 B11R1.22 COC(=O)c1ccc(cn1)Cl AB51080 [1,1,0,0,0,0|2,0,0]=4 71 B11R1.22 COC(=O)c1ccc(cn1)N PB26290 [1,1,0,0,0,0|2,0,0]=4 72 B11R1.22 COC(=O)c1ccc(cn1)O PB27686 [1,1,0,0,0,0|2,0,0]=4 73 B11R1.22 COC(=O)c1ccc(nc1)Br PB29326 [1,1,0,0,0,0|2,0,0]=4 74 B11R1.22 COC(=O)c1ccc(nc1)N PB19892 [1,1,0,0,0,0|2,0,0]=4 75 B11R1.22 COC(=O)c1ccc(nc1)O PB34296 [1,1,0,0,0,0|2,0,0]=4 76 B11R1.22 COS(=O)c1ccc(cc1)Cl AB45287 [1,1,0,0,0,0|2,0,0]=4 77 B11R1.22 Cc1ccc(cc1)C(=O)C=O AB05249 [1,1,0,0,0,0|1,0,0]=3 78 B11R1.22 Cc1ccc(cc1)C(=O)C=O AB05288 [1,1,0,0,0,0|1,0,0]=3 79 B11R1.22 c1cc(ccc1C(=O)C#N)Br MB00883 [1,1,0,0,0,0|1,0,1]=4 80 B11R1.22 c1cc(ccc1C(=O)C=O)Br AB07939 [1,1,0,0,0,0|1,0,0]=3 81 B11R1.22 c1cc(ccc1C(=O)C=O)Br AB49987 [1,1,0,0,0,0|1,0,0]=3 82 B11R1.22 c1cc(ccc1C(=O)C=O)Cl AB44429 [1,1,0,0,0,0|1,0,0]=3 83 B11R1.22 c1cc(ccc1C(=O)C=O)F AB09010 [1,1,0,0,0,0|1,0,0]=3 84 B11R1.22 c1cc(ccc1C(=O)C=O)O AB02263 [1,1,0,0,0,0|1,0,0]=3 85 B11R1.22 c1cc(ccc1C(=O)CN)Br CB10172 [1,1,0,0,0,0|1,0,1]=4 86 B11R1.22 c1cc(ccc1C(=O)CO)F MB02453 [1,1,0,0,0,0|1,0,1]=4 87 B11R1.23 CNC(=O)c1cc(ccn1)Br MB13829 [1,1,0,0,0,0|2,0,0]=4 88 B11R1.23 CNC(=O)c1cc(ccn1)Cl AB11548 [1,1,0,0,0,0|2,0,0]=4 89 B11R1.23 CNC(=O)c1cc(ccn1)N AB65387 [1,1,0,0,0,0|2,0,0]=4 90 B11R1.23 CNC(=O)c1cc(ccn1)O MB25398 [1,1,0,0,0,0|2,0,0]=4 91 B11R1.23 CNC(=O)c1cc(cnc1)Br MB02044 [1,1,0,0,0,0|2,0,0]=4 92 B11R1.23 CNC(=O)c1cc(cnc1)O MB25513 [1,1,0,0,0,0|2,0,0]=4 93 B11R1.23 CNC(=O)c1cccc(c1)O MB06615 [1,1,0,0,0,0|1,0,0]=3 94 B11R1.23 CNC(=O)c1cccc(n1)Br MB08958 [1,1,0,0,0,0|2,0,0]=4 95 B11R1.23 CNC(=O)c1ccnc(c1)Br MB02752 [1,1,0,0,0,0|2,0,0]=4 96 B11R1.23 COC(=N)c1cccc(c1)Br AB60887 [1,1,0,0,0,0|2,0,0]=4 97 B11R1.23 COC(=N)c1cccc(c1)Cl AB60959 [1,1,0,0,0,0|2,0,0]=4 98 B11R1.23 COC(=N)c1cccc(c1)N AB60976 [1,1,0,0,0,0|2,0,0]=4 99 B11R1.23 COC(=N)c1cccc(c1)O AB60982 [1,1,0,0,0,0|2,0,0]=4 100 B11R1.23 COC(=O)c1cc(ccn1)Br PB30917 [1,1,0,0,0,0|2,0,0]=4 101 B11R1.23 COC(=O)c1cc(ccn1)Cl AB20667 [1,1,0,0,0,0|2,0,0]=4 102 B11R1.23 COC(=O)c1cc(ccn1)Cl PB18698 [1,1,0,0,0,0|2,0,0]=4 103 B11R1.23 COC(=O)c1cc(ccn1)F AB40664 [1,1,0,0,0,0|2,0,0]=4 104 B11R1.23 COC(=O)c1cc(ccn1)O AB65280 [1,1,0,0,0,0|2,0,0]=4 105 B11R1.23 COC(=O)c1cc(cnc1)Br PB10112 [1,1,0,0,0,0|2,0,0]=4 106 B11R1.23 COC(=O)c1cc(cnc1)F PB12769 [1,1,0,0,0,0|2,0,0]=4 107 B11R1.23 COC(=O)c1cc(cnc1)N PB12793 [1,1,0,0,0,0|2,0,0]=4 108 B11R1.23 COC(=O)c1cc(cnc1)O AB04590 [1,1,0,0,0,0|2,0,0]=4 109 B11R1.23 COC(=O)c1cc[nH]c(=O)c1 PB32713 [1,1,0,0,0,0|2,0,0]=4 110 B11R1.23 COC(=O)c1cccc(c1)Cl AB00128 [1,1,0,0,0,0|1,0,0]=3 111 B11R1.23 COC(=O)c1cccc(n1)Br AB23211 [1,1,0,0,0,0|2,0,0]=4 112 B11R1.23 COC(=O)c1cccc(n1)Cl MB00777 [1,1,0,0,0,0|2,0,0]=4 113 B11R1.23 COC(=O)c1cccc(n1)I AB42501 [1,1,0,0,0,0|2,0,0]=4 114 B11R1.23 COC(=O)c1cccc(n1)N PB25993 [1,1,0,0,0,0|2,0,0]=4 115 B11R1.23 COC(=O)c1ccnc(c1)Br AB16210 [1,1,0,0,0,0|2,0,0]=4 116 B11R1.23 COC(=O)c1ccnc(c1)Cl PB12260 [1,1,0,0,0,0|2,0,0]=4 117 B11R1.23 COC(=O)c1ccnc(c1)I AB43759 [1,1,0,0,0,0|2,0,0]=4 118 B11R1.23 COC(=O)c1ccnc(c1)N PB29300 [1,1,0,0,0,0|2,0,0]=4 119 B11R1.23 Cc1cc(ccn1)C(=O)OC AB55692 [1,1,0,0,0,0|2,0,0]=4 120 B11R1.23 Cc1cc(cnc1)C(=O)OC PB14201 [1,1,0,0,0,0|2,0,0]=4 121 B11R1.23 c1cc(cc(c1)Br)C(=O)C=O AB45356 [1,1,0,0,0,0|1,0,0]=3 122 B11R1.23 c1cc(cc(c1)Br)C(=O)C=O AB48671 [1,1,0,0,0,0|1,0,0]=3 123 B11R1.23 c1cc(cc(c1)Cl)C(=O)C#N MB03014 [1,1,0,0,0,0|1,0,1]=4 124 B11R1.23 c1cc(cc(c1)Cl)C(=O)C=O AB48675 [1,1,0,0,0,0|1,0,0]=3 125 B11R1.23 c1cc(cc(c1)F)C(=O)C=O AB29976 [1,1,0,0,0,0|1,0,0]=3 126 B11R1.23 c1cc(cc(c1)N)C(=O)CBr AB27803 [1,1,0,0,0,0|1,0,1]=4 127 B11R1.36 B(C(=C)c1ccccc1)(O)O AB08051 [1,1,0,0,0,0|1,0,1]=4 128 B11R1.36 CN(C)C(=O)c1cccnc1 MB00495 [1,1,0,0,0,0|2,0,0]=4 129 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N AB02597 [1,1,0,0,0,0|1,0,1]=4 130 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)N AB00920 [1,1,0,0,0,0|1,0,1]=4 131 B11R1.222 CCC(=O)c1ccccc1F MB00205 [1,1,0,0,0,0|0,0,1]=3 132 B11R1.222 CNC(=O)c1c(cccn1)O MB12020 [1,1,0,0,0,0|2,0,0]=4 133 B11R1.222 CNC(=O)c1ccccc1O MB00422 [1,1,0,0,0,0|1,0,0]=3 134 B11R1.222 CNC(=O)c1ccncc1O MB25570 [1,1,0,0,0,0|2,0,0]=4 135 B11R1.222 CNC(=O)c1cnccc1O MB38207 [1,1,0,0,0,0|2,0,0]=4 136 B11R1.222 COC(=N)c1ccccc1Cl AB60968 [1,1,0,0,0,0|2,0,0]=4 137 B11R1.222 COC(=N)c1ccccc1F AB60966 [1,1,0,0,0,0|2,0,0]=4 138 B11R1.222 COC(=N)c1ccccc1O AB60984 [1,1,0,0,0,0|2,0,0]=4 139 B11R1.222 COC(=O)c1c(cccn1)Br PB13499 [1,1,0,0,0,0|2,0,0]=4 140 B11R1.222 COC(=O)c1c(cccn1)N AB48413 [1,1,0,0,0,0|2,0,0]=4 141 B11R1.222 COC(=O)c1cccnc1Br AB31400 [1,1,0,0,0,0|2,0,0]=4 142 B11R1.222 COC(=O)c1cccnc1Cl PB12739 [1,1,0,0,0,0|2,0,0]=4 143 B11R1.222 COC(=O)c1cccnc1O AB44640 [1,1,0,0,0,0|2,0,0]=4 144 B11R1.222 COC(=O)c1ccncc1Br PB14358 [1,1,0,0,0,0|2,0,0]=4 145 B11R1.222 COC(=O)c1ccncc1I PB10250 [1,1,0,0,0,0|2,0,0]=4 146 B11R1.222 COC(=O)c1ccncc1N PB21166 [1,1,0,0,0,0|2,0,0]=4 147 B11R1.222 COC(=O)c1cnccc1Cl AB56385 [1,1,0,0,0,0|2,0,0]=4 148 B11R1.222 COC(=O)c1cnccc1F AB70564 [1,1,0,0,0,0|2,0,0]=4 149 B11R1.222 COC(=O)c1cnccc1N PB32232 [1,1,0,0,0,0|2,0,0]=4 150 B11R1.222 C\C(=N/N)\c1ccccc1O AB84931 [1,1,0,0,0,0|2,0,0]=4 151 B11R1.222 Cc1ccccc1C(=O)OC AB00946 [1,1,0,0,0,0|1,0,0]=3 152 B11R1.222 Cc1cccnc1C(=O)OC AB16147 [1,1,0,0,0,0|2,0,0]=4 153 B11R1.222 Cc1cnccc1C(=O)OC PB29263 [1,1,0,0,0,0|2,0,0]=4 154 B11R1.222 c1ccc(c(c1)C(=O)C#N)Cl MB02595 [1,1,0,0,0,0|1,0,1]=4 155 B11R1.222 c1ccc(c(c1)C(=O)C=O)Cl AB55316 [1,1,0,0,0,0|1,0,0]=3 156 B11R1.222 c1ccc(c(c1)C(=O)C=O)F AB49795 [1,1,0,0,0,0|1,0,0]=3 157 B11R1.265 Cc1cccc(c1C=O)OC MB05932 [0,0,1,1,0,0|1,0,1]=4 158 B11R1.265 c1cc(c(c(c1)O)C=O)C=O MB35004 [0,0,1,1,0,0|2,0,0]=4 159 B11R2.1 c1cc2c(nc1)C(=O)OC2 AB66596 [1,0,0,1,0,0|2,0,0]=4 160 B11R2.1 c1cc2c(nc1)CCC2=O PB12461 [1,0,0,1,0,0|1,0,1]=4 161 B11R2.1 c1ccc2c(c1)C(=O)CO2 AB02144 [1,0,0,1,0,0|1,0,1]=4 162 B11R2.1 c1ccc2c(c1)C(=O)N=N2 MB00163 [1,0,0,1,0,0|2,0,0]=4 163 B11R2.1 c1ccc2c(c1)CNC2=O AB13096 [1,0,0,1,0,0|1,0,0]=3 164 B11R2.1 c1ccc2c(c1)c(co2)Br MB01644 [1,0,0,1,0,0|1,0,1]=4 165 B11R2.1 c1cncc2c1C(=O)NC2 AB66595 [1,0,0,1,0,0|2,0,0]=4 166 B11R2.1 c1cncc2c1CNC2=O PB33122 [1,0,0,1,0,0|2,0,0]=4 167 B13R2.45 CC1=C(N=C2=C1C=CC=C2)C=O AB07796 [0,0,0,1,0,1|0,0,1]=3 168 B13R2.45 c1ccn2c(c1)nc(c2Cl)C=O AB12779 [0,0,0,1,0,1|2,0,0]=4 169 B13R2.57 CNc1cc2ccccc2nc1 AB60620 [0,0,0,1,0,1|2,0,0]=4 170 B13R2.57 CNc1ccc2ccccc2n1 AB60616 [0,0,0,1,0,1|2,0,0]=4 171 B13R2.57 c1cc(cc2c1ccnc2)C=O MB03744 [0,0,0,1,0,1|1,0,1]=4 172 B13R2.57 c1cc2c(ccc(n2)C=O)nc1 AB64522 [0,0,0,1,0,1|1,0,1]=4 173 B13R2.57 c1cc2cc(ccc2nc1)C=O MB01484 [0,0,0,1,0,1|1,0,1]=4 174 B13R2.57 c1cc2cc(cnc2nc1)C=O AB68442 [0,0,0,1,0,1|2,0,0]=4 175 B13R2.57 c1cc2ccc(cc2nc1)C=O AB09099 [0,0,0,1,0,1|1,0,1]=4 176 B13R2.57 c1cc2ccc(nc2nc1)C=O CB10823 [0,0,0,1,0,1|1,0,1]=4 177 B13R2.57 c1cc2cnccc2cc1C=O MB03742 [0,0,0,1,0,1|1,0,1]=4 178 B13R2.57 c1ccc2c(c1)C=C(CO2)C=O AB09669 [0,0,0,1,0,1|1,0,1]=4 179 B13R2.57 c1ccc2c(c1)cc(cn2)C=O AB00811 [0,0,0,1,0,1|1,0,0]=3 180 B13R2.57 c1ccc2c(c1)cnc(n2)C=O AB60727 [0,0,0,1,0,1|1,0,1]=4 181 B13R2.57 c1ccc2c(c1)ncc(n2)C=O CB10349 [0,0,0,1,0,1|1,0,0]=3 182 B13R2.57 c1ccc2cnc(cc2c1)C=O AB23480 [0,0,0,1,0,1|1,0,1]=4 183 B13R2.1 C1=CC2C(=NC=C2CC=O)C=C1 AB02302 [0,1,0,1,0,0|1,0,1]=4 184 B13R2.3 c1ccc(cc1)C2=CCOCC2 PB15368 [0,1,0,1,0,0|0,0,2]=4 185 B13R2.10 CC1=NN=C(C1)c2ccccc2 AB01314 [0,1,0,1,0,0|2,0,0]=4 186 B13R2.10 c1ccc(cc1)C2CCC(=O)C2 AB03360 [0,1,0,1,0,0|0,0,2]=4 187 B13R2.10 c1ccc(cc1)c2cnc(o2)N AB03235 [0,1,0,1,0,0|2,0,0]=4 188 B13R2.10 c1ccc(cc1)c2cnc(o2)O AB53084 [0,1,0,1,0,0|1,0,1]=4 189 B13R2.10 c1ccc(cc1)c2cnc(o2)S AB48571 [0,1,0,1,0,0|1,1,0]=4 190 B13R2.10 c1ccc(cc1)c2cnc(s2)Cl AB44116 [0,1,0,1,0,0|2,0,0]=4 191 B13R2.10 c1ccc(cc1)c2cnc(s2)N AB01318 [0,1,0,1,0,0|2,0,0]=4 192 B13R2.10 c1ccc(cc1)c2cnc(s2)O AB53095 [0,1,0,1,0,0|1,0,1]=4 193 B13R2.10 c1ccc(cc1)c2cnc(s2)S AB44320 [0,1,0,1,0,0|1,1,0]=4 194 B13R2.10 c1ccc(cc1)c2coc(n2)Br AB66370 [0,1,0,1,0,0|1,0,1]=4 195 B13R2.10 c1ccc(cc1)c2coc(n2)Cl AB64580 [0,1,0,1,0,0|1,0,1]=4 196 B13R2.10 c1ccc(cc1)c2coc(n2)N AB68293 [0,1,0,1,0,0|1,0,1]=4 197 B13R2.1613 c1cc(c2cccnc2c1)C=O AB07320 [0,1,0,1,0,0|1,0,1]=4 198 B13R2.1613 c1cc2c(ccnc2nc1)C=O CB10875 [0,1,0,1,0,0|1,0,1]=4 199 B13R2.1613 c1cc2ccncc2c(c1)C=O AB23484 [0,1,0,1,0,0|1,0,1]=4 200 B13R2.1613 c1cc2cncc(c2nc1)C=O AB28388 [0,1,0,1,0,0|1,0,1]=4 201 B13R2.1613 c1cc2cnccc2c(c1)C=O AB14397 [0,1,0,1,0,0|1,0,1]=4 202 B13R2.1613 c1ccc2c(c1)c(ncn2)C=O AB59129 [0,1,0,1,0,0|1,0,0]=3 203 B13R2.1613 c1ccc2c(c1)ccnc2C=O AB28067 [0,1,0,1,0,0|0,0,1]=3 204 B13R2.1613 c1ccc2c(c1)cncc2C=O MB01497 [0,1,0,1,0,0|0,0,1]=3 205 B13R2.1613 c1cncc2c1c(cnc2)C=O CB11847 [0,1,0,1,0,0|1,0,1]=4 206 B13R2.2931 Cn1c2ccccc2c(n1)C=O PB10491 [0,1,0,1,0,0|1,0,0]=3 207 B13R2.2931 Cn1cc(c2c1cccc2)CN PB32428 [0,1,0,1,0,0|1,0,1]=4 208 B13R2.662 C1C=C(C=C2C1=C(C=N2)C=O)Br AB07122 [0,1,0,1,0,0|1,0,1]=4 209 B13R2.662 Cc1ccn2c(c1)ncc2C=O AB55728 [0,1,0,1,0,0|2,0,0]=4 210 B13R2.2136 C1C=C(C=C2C1=NC=C2C=O)Br AB04031 [0,1,0,1,0,0|1,0,1]=4 211 B13R2.2136 C1C=C(C=C2C1=NC=C2C=O)O AB30319 [0,1,0,1,0,0|1,0,1]=4 212 B13R2.2136 Cc1ccc2c(c1)c(co2)C=O MB10419 [0,1,0,1,0,0|1,0,0]=3 213 B13R2.2136 c1cc2c(cc1Br)c(co2)C=O MB10418 [0,1,0,1,0,0|1,0,0]=3 214 B13R2.2136 c1cc2ncc(n2cc1Br)C=O PB16203 [0,1,0,1,0,0|2,0,0]=4 215 B13R2.2136 c1cc2ncc(n2cc1Cl)C=O AB54760 [0,1,0,1,0,0|2,0,0]=4 216 B13R2.135 C1=CC2C(=NC(=C2C=O)Cl)C=C1 AB03449 [0,1,0,1,0,0|1,0,1]=4 217 B13R2.135 Cc1c(c2ccccc2s1)CCl AB16608 [0,1,0,1,0,0|1,0,1]=4 218 B13R2.135 Cc1c(n2ccccc2n1)C=O AB11614 [0,1,0,1,0,0|1,0,0]=3 219 B13R2.135 c1ccn2c(c1)nc(c2C=O)Cl AB12670 [0,1,0,1,0,0|2,0,0]=4 220 B13R2.2091 C1C=CC(=C2C1=NC=C2C=O)Br AB22906 [0,1,0,1,0,0|1,0,1]=4 221 B13R2.2091 CC1=C2C(=NC=C2C=O)C=CC1 MB00440 [0,1,0,1,0,0|1,0,1]=4 222 B13R2.2091 c1cc2ncc(n2c(c1)Cl)C=O AB61157 [0,1,0,1,0,0|2,0,0]=4 223 B13R2.72 CC(=O)C1=c2ccccc2=NC1 AB00460 [0,1,0,1,0,0|1,0,1]=4 224 B13R2.72 c1ccc2c(c1)CCC2C(=O)O AB01304 [0,1,0,1,0,0|0,0,2]=4 225 B13R2.72 c1ccc2c(c1)CNC2C(=O)O AB08706 [0,1,0,1,0,0|1,0,1]=4 226 B13R2.72 c1ccc2c(c1)c(co2)C(=O)O AB07951 [0,1,0,1,0,0|1,0,0]=3 227 B13R2.72 c1ccc2c(c1)c(no2)C(=O)O AB26306 [0,1,0,1,0,0|2,0,0]=4 228 B13R2.72 c1ccc2c(c1)c(ns2)C(=O)O AB09662 [0,1,0,1,0,0|2,0,0]=4 229 B13R2.72 c1ccn2c(c1)c(cn2)C(=O)O PB19871 [0,1,0,1,0,0|2,0,0]=4 230 B13R2.72 c1ccn2c(c1)ncc2C(=O)O AB09861 [0,1,0,1,0,0|2,0,0]=4 231 B9R1.11 COC(=O)c1ccsc1 PB18711 [1,0,0,0,1,0|2,0,0]=4 232 B9R1.11 c1cc(oc1)C(=O)C=O AB04785 [1,0,0,0,1,0|2,0,0]=4 233 B9R1.11 c1cc(oc1)C(=O)C=O AB49990 [1,0,0,0,1,0|2,0,0]=4 234 B9R1.11 c1cc(sc1)C(=O)C=O AB48645 [1,0,0,0,1,0|2,0,0]=4 235 B11R1.40 COC(=N)Cc1ccccc1 AB01554 [1,0,0,0,0,1|2,0,0]=4 236 B11R1.40 COC(=O)Cc1ccccn1 PB18397 [1,0,0,0,0,1|2,0,0]=4 237 B11R1.40 COC(=O)Cc1cccnc1 PB30559 [1,0,0,0,0,1|2,0,0]=4 238 B11R1.40 COC(=O)Cc1ccncc1 PB12720 [1,0,0,0,0,1|2,0,0]=4 239 B11R1.40 c1ccc(cc1)CC(=O)C=O AB50241 [1,0,0,0,0,1|1,0,0]=3