0 B11R1.40 CC(Cc1ccccc1)CN CB11363 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.40 COC(=N)Cc1ccccc1 AB01554 [0,0,0,0,0,0|1,0,0]=1 2 B11R1.40 COC(=O)Cc1ccccn1 PB18397 [0,0,0,0,0,0|1,0,0]=1 3 B11R1.40 COC(=O)Cc1cccnc1 PB30559 [0,0,0,0,0,0|1,0,0]=1 4 B11R1.40 COC(=O)Cc1cccnn1 PB10290 [0,0,0,0,0,0|2,0,0]=2 5 B11R1.40 COC(=O)Cc1ccncc1 PB12720 [0,0,0,0,0,0|1,0,0]=1 6 B11R1.40 COC(=O)Cc1ccncn1 PB21336 [0,0,0,0,0,0|2,0,0]=2 7 B11R1.40 COC(=O)Cc1ccnnc1 PB28638 [0,0,0,0,0,0|2,0,0]=2 8 B11R1.40 COC(=O)Cc1cnccn1 PB20098 [0,0,0,0,0,0|2,0,0]=2 9 B11R1.40 c1ccc(cc1)CC(=O)C=O AB50241 [0,0,0,0,0,0|2,0,0]=2 10 B11R1.40 c1ccc(cc1)CC(CF)N AB14681 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.40 c1ccc(cc1)CC(CN)N AB65391 [0,0,0,0,0,0|3,0,1]=4 12 B11R1.40 c1ccc(cc1)C[C@@H](CN)N AB70797 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.40 c1ccc(cc1)C[C@H](CN)N AB14684 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.40 c1ccc(cc1)C[C@H](CO)N AB02579 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.17 CNCCc1cccnc1 AB10676 [1,0,0,0,0,0|2,0,1]=4 16 B10R1.17 CNCCc1ccncc1 AB02055 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.17 c1ccc(cc1)CCC=O AB00823 [1,0,0,0,0,0|2,0,1]=4 18 B10R1.17 c1ccc(cc1)CCCN AB00940 [1,0,0,0,0,0|2,0,1]=4 19 B10R1.18 B(Cc1ccccc1)(O)O AB08328 [1,0,0,0,0,0|1,0,1]=3 20 B10R1.18 CC(=O)Cc1ccccn1 AB03323 [1,0,0,0,0,0|1,0,0]=2 21 B10R1.18 CC(=O)Cc1cccnc1 AB29343 [1,0,0,0,0,0|1,0,0]=2 22 B10R1.18 CC(=O)Cc1cccnc1 AB45525 [1,0,0,0,0,0|1,0,0]=2 23 B10R1.18 CC(=O)Cc1ncccn1 MB07248 [1,0,0,0,0,0|2,0,0]=3 24 B10R1.18 CC(=O)Nc1ccncc1 AB06982 [1,0,0,0,0,0|2,0,0]=3 25 B10R1.18 CC(Cc1ccccn1)N AB12969 [1,0,0,0,0,0|2,0,1]=4 26 B10R1.18 CC(Cc1cccnc1)N AB23775 [1,0,0,0,0,0|2,0,1]=4 27 B10R1.18 CC(Cc1ccncc1)N AB28531 [1,0,0,0,0,0|2,0,1]=4 28 B10R1.18 C[C@@H](Cc1ccccc1)N AB03711 [1,0,0,0,0,0|1,0,1]=3 29 B10R1.18 C[C@H](Cc1ccccc1)N AB07478 [1,0,0,0,0,0|1,0,1]=3 30 B10R1.18 c1c(cncn1)CC(=O)O PB12648 [1,0,0,0,0,0|2,0,0]=3 31 B10R1.18 c1cc(cnc1)CC(=O)O AB01106 [1,0,0,0,0,0|1,0,0]=2 32 B10R1.18 c1cc(nnc1)CC(=O)O PB14847 [1,0,0,0,0,0|2,0,0]=3 33 B10R1.18 c1ccc(cc1)CC(=N)N AB29087 [1,0,0,0,0,0|2,0,0]=3 34 B10R1.18 c1cnc(cn1)CC(=O)O PB10382 [1,0,0,0,0,0|2,0,0]=3 35 B10R1.18 c1cnc(nc1)CC(=O)O PB34087 [1,0,0,0,0,0|2,0,0]=3 36 B10R1.18 c1cncnc1CC(=O)O PB21983 [1,0,0,0,0,0|2,0,0]=3 37 B10R1.18 c1cnncc1CC(=O)O PB31426 [1,0,0,0,0,0|2,0,0]=3 38 B12R1.32 CCOC(=O)Cc1ccccn1 AB00728 [0,1,0,0,0,0|1,0,0]=2 39 B12R1.32 CCOC(=O)Cc1cnccn1 AB62539 [0,1,0,0,0,0|2,0,0]=3 40 B12R1.32 CCOC(=O)Cc1ncccn1 PB14776 [0,1,0,0,0,0|2,0,0]=3 41 B12R1.32 CN(CCN)Cc1ccccc1 MB02567 [0,1,0,0,0,0|3,0,0]=4 42 B12R1.34 CN(c1ccccc1)C(=O)CO AB13884 [0,1,0,0,0,0|3,0,0]=4 43 B12R1.34 COC(=O)C(c1ccccn1)N CB11313 [0,1,0,0,0,0|1,0,0]=2 44 B12R1.34 COC(=O)[C@@H](c1ccccc1)Br AB70356 [0,1,0,0,0,0|0,0,0]=1 45 B12R1.43 C[C@@H](C(=O)Nc1ccccc1)O AB72181 [0,1,0,0,0,0|2,0,0]=3 46 B12R1.49 COC(=N)Cc1ccc(cc1)Br AB60928 [0,1,0,0,0,0|1,0,0]=2 47 B12R1.49 COC(=N)Cc1ccc(cc1)Cl AB60925 [0,1,0,0,0,0|1,0,0]=2 48 B12R1.49 COC(=N)Cc1ccc(cc1)F AB60924 [0,1,0,0,0,0|1,0,0]=2 49 B12R1.49 COC(=O)Cc1ccc(cc1)Br PB24610 [0,1,0,0,0,0|0,0,0]=1 50 B12R1.49 COC(=O)Cc1ncc(cn1)Br PB24257 [0,1,0,0,0,0|2,0,0]=3 51 B12R1.49 COC(=O)Nc1ccc(cn1)Br MB01437 [0,1,0,0,0,0|2,0,0]=3 52 B12R1.49 COC(=O)Nc1ccc(nc1)Br MB14348 [0,1,0,0,0,0|2,0,0]=3 53 B12R1.49 COC(=O)Nc1cnc(cn1)Br MB14334 [0,1,0,0,0,0|3,0,0]=4 54 B12R1.49 Cc1ccc(cc1)CC(=N)OC AB60933 [0,1,0,0,0,0|1,0,0]=2 55 B12R1.50 COC(=N)Cc1cccc(c1)Br AB60935 [0,1,0,0,0,0|1,0,0]=2 56 B12R1.50 COC(=N)Cc1cccc(c1)F AB60943 [0,1,0,0,0,0|1,0,0]=2 57 B12R1.50 COC(=O)Cc1cccc(c1)F CB10636 [0,1,0,0,0,0|0,0,0]=1 58 B12R1.50 COC(=O)Nc1cc(cnc1)Br MB14337 [0,1,0,0,0,0|2,0,0]=3 59 B12R1.50 COC(=O)Nc1cc(ncn1)Br MB14349 [0,1,0,0,0,0|3,0,0]=4 60 B12R1.50 COC(=O)Nc1cccc(n1)Br MB11682 [0,1,0,0,0,0|2,0,0]=3 61 B12R1.50 COC(=O)Nc1ccnc(c1)Br MB14322 [0,1,0,0,0,0|2,0,0]=3 62 B12R1.50 COC(=O)Nc1cncc(n1)Br MB14345 [0,1,0,0,0,0|3,0,0]=4 63 B12R1.50 COC(=O)Nc1nccc(n1)Br MB14330 [0,1,0,0,0,0|3,0,0]=4 64 B12R1.50 Cc1cccc(c1)CC(=N)OC AB60932 [0,1,0,0,0,0|1,0,0]=2 65 B12R1.371 COC(=N)Cc1ccccc1Cl AB60946 [0,1,0,0,0,0|1,0,0]=2 66 B12R1.371 COC(=O)Cc1c(cccn1)Br PB23028 [0,1,0,0,0,0|1,0,0]=2 67 B12R1.371 COC(=O)Cc1ccccc1Br AB42488 [0,1,0,0,0,0|0,0,0]=1 68 B12R1.371 COC(=O)Cc1ccccc1N AB21308 [0,1,0,0,0,0|0,0,0]=1 69 B12R1.371 COC(=O)Cc1cccnc1Cl AB76392 [0,1,0,0,0,0|1,0,0]=2 70 B12R1.371 COC(=O)Cc1ccncc1N AB63978 [0,1,0,0,0,0|1,0,0]=2 71 B12R2.18 Cn1c2ccccc2nc1Cl AB07066 [0,0,0,1,0,0|3,0,0]=4 72 B12R2.24 CC1Cc2ccccc2CN1 AB30586 [0,0,0,1,0,0|2,0,1]=4 73 B12R2.24 C[C@H]1Cc2ccccc2CN1 AB39365 [0,0,0,1,0,0|2,0,1]=4 74 B12R2.24 c1c2c(ncn1)CC(=O)CC2 AB61058 [0,0,0,1,0,0|3,0,0]=4 75 B12R2.24 c1c2c(ncn1)CCC(=O)C2 AB45338 [0,0,0,1,0,0|3,0,0]=4 76 B12R2.24 c1cc2c(nc1)CC(=O)NC2 AB77257 [0,0,0,1,0,0|2,0,0]=3 77 B12R2.24 c1cc2c(nc1)CCC(=O)C2 AB26260 [0,0,0,1,0,0|2,0,0]=3 78 B12R2.24 c1cc2c(nc1)NC(=O)CC2 PB12351 [0,0,0,1,0,0|3,0,0]=4 79 B12R2.24 c1cc2c(nc1)OCC(=O)C2 AB74015 [0,0,0,1,0,0|3,0,0]=4 80 B12R2.24 c1ccc2c(c1)CC(=O)NC2 AB15535 [0,0,0,1,0,0|1,0,0]=2 81 B12R2.24 c1ccc2c(c1)CCC(C2)N AB02010 [0,0,0,1,0,0|2,0,1]=4 82 B12R2.24 c1ccc2c(c1)CCN(C2)N MB00779 [0,0,0,1,0,0|3,0,0]=4 83 B12R2.24 c1ccc2c(c1)NC(=O)CO2 AB04166 [0,0,0,1,0,0|3,0,0]=4 84 B12R2.24 c1ccc2c(c1)NCC(=O)N2 AB04744 [0,0,0,1,0,0|3,0,0]=4 85 B12R2.24 c1ccc2c(c1)c[nH]c(=O)n2 MB05981 [0,0,0,1,0,0|2,0,1]=4 86 B12R2.24 c1cncc2c1CC(=O)NC2 AB64881 [0,0,0,1,0,0|2,0,0]=3 87 B12R2.24 c1cncc2c1CCC(=O)N2 MB05928 [0,0,0,1,0,0|3,0,0]=4 88 B12R2.24 c1cncc2c1CNC(=O)C2 AB68337 [0,0,0,1,0,0|2,0,0]=3 89 B12R2.24 c1cncc2c1NC(=O)CC2 MB05707 [0,0,0,1,0,0|3,0,0]=4 90 B12R2.32 CNc1nc2ccccc2s1 AB01569 [0,0,0,1,0,0|2,1,0]=4 91 B10R1.15 CCC(=O)c1ccccn1 AB01373 [0,0,0,0,1,0|2,0,0]=3 92 B10R1.15 CCC(=O)c1cnccn1 PB23991 [0,0,0,0,1,0|3,0,0]=4 93 B10R1.15 CNC(=O)c1cnccn1 AB70331 [0,0,0,0,1,0|3,0,0]=4 94 B10R1.15 COC(=N)c1cnccn1 AB61004 [0,0,0,0,1,0|3,0,0]=4 95 B10R1.15 COC(=O)c1cccnn1 PB28168 [0,0,0,0,1,0|2,0,0]=3 96 B10R1.15 COC(=O)c1ccncn1 PB15680 [0,0,0,0,1,0|2,0,0]=3 97 B10R1.15 COC(=O)c1ccnnc1 PB31452 [0,0,0,0,1,0|2,0,0]=3 98 B10R1.15 COC(=O)c1cncnc1 PB15822 [0,0,0,0,1,0|2,0,0]=3 99 B10R1.15 COC(=O)c1ncccn1 PB20045 [0,0,0,0,1,0|2,0,0]=3 100 B10R1.15 c1cc(cnc1)C(=O)C=O AB62325 [0,0,0,0,1,0|3,0,0]=4 101 B10R1.15 c1cc(cnc1)C(=O)CBr AB02174 [0,0,0,0,1,0|3,0,0]=4 102 B10R1.15 c1cc(cnc1)C(=O)CBr AB44461 [0,0,0,0,1,0|3,0,0]=4 103 B10R1.15 c1cc(cnc1)C(=O)CCl MB06839 [0,0,0,0,1,0|3,0,0]=4 104 B10R1.15 c1ccc(cc1)C(=O)C=O AB00817 [0,0,0,0,1,0|2,0,0]=3 105 B10R1.15 c1ccc(cc1)C(=O)C=O AB03966 [0,0,0,0,1,0|2,0,0]=3 106 B10R1.15 c1ccc(cc1)C(=O)NN AB00887 [0,0,0,0,1,0|2,0,0]=3 107 B10R1.15 c1ccnc(c1)C(=O)C=O AB62330 [0,0,0,0,1,0|3,0,0]=4 108 B10R1.15 c1ccnc(c1)C(=O)CBr AB23665 [0,0,0,0,1,0|3,0,0]=4 109 B10R1.15 c1cnccc1C(=O)C=O AB62328 [0,0,0,0,1,0|3,0,0]=4 110 B10R1.15 c1cnccc1C(=O)CBr AB12154 [0,0,0,0,1,0|3,0,0]=4 111 B10R1.27 CNC(=O)Cn1cccn1 AB70369 [0,0,0,0,1,0|3,0,0]=4 112 B10R1.27 COC(=O)CC1=NC=NC1 AB44705 [0,0,0,0,1,0|2,0,1]=4 113 B10R1.27 COC(=O)Cc1ccsc1 PB15626 [0,0,0,0,1,0|1,0,0]=2 114 B10R1.27 COC(=O)Cn1ccnn1 AB85363 [0,0,0,0,1,0|3,0,0]=4 115 B12R1.27 c1ccc(cc1)COC(=O)CN CB10135 [0,0,0,0,0,1|2,0,0]=3 116 B9R1.8 CNCc1ccccn1 AB10674 [2,0,0,0,0,0|2,0,0]=4 117 B9R1.8 CNCc1cccnc1 AB01384 [2,0,0,0,0,0|2,0,0]=4 118 B9R1.8 CNCc1ccncc1 AB02721 [2,0,0,0,0,0|2,0,0]=4 119 B9R1.8 c1c(cncn1)CC=O AB57639 [2,0,0,0,0,0|2,0,0]=4 120 B9R1.8 c1ccc(cc1)\C=C\Br AB00116 [2,0,0,0,0,0|1,0,1]=4 121 B9R1.8 c1ccc(cc1)\C=N/O AB02488 [2,0,0,0,0,0|1,0,1]=4 122 B9R1.8 c1ccnc(c1)CC=O AB61426 [2,0,0,0,0,0|1,0,0]=3 123 B9R1.8 c1cnc(cn1)CC=O AB57650 [2,0,0,0,0,0|2,0,0]=4 124 B9R1.8 c1cnc(nc1)CC=O AB57641 [2,0,0,0,0,0|2,0,0]=4 125 B9R1.8 c1cncnc1CC=O AB57648 [2,0,0,0,0,0|2,0,0]=4 126 B11R1.1 CNCCc1ccc(cc1)Br AB27732 [1,1,0,0,0,0|1,0,1]=4 127 B11R1.1 CNCCc1ccc(cc1)Cl AB27728 [1,1,0,0,0,0|1,0,1]=4 128 B11R1.1 CNCCc1ccc(cc1)F AB27731 [1,1,0,0,0,0|1,0,1]=4 129 B11R1.1 CNCCc1ccc(cc1)N AB27726 [1,1,0,0,0,0|1,0,1]=4 130 B11R1.1 Cc1ccc(cc1)CCNC AB27715 [1,1,0,0,0,0|1,0,1]=4 131 B11R1.24 CNCCc1cccc(c1)Cl AB27739 [1,1,0,0,0,0|1,0,1]=4 132 B11R1.24 COCOc1cccc(c1)Br AB72137 [1,1,0,0,0,0|1,0,1]=4 133 B11R1.24 Cc1cccc(c1)CCNC AB27735 [1,1,0,0,0,0|1,0,1]=4 134 B11R1.28 CNCCCc1ccccc1 AB10671 [1,1,0,0,0,0|1,0,1]=4 135 B11R1.28 c1ccc(cc1)CCCCN AB00942 [1,1,0,0,0,0|1,0,1]=4 136 B11R1.28 c1ccc(cc1)CCCCN AB13248 [1,1,0,0,0,0|1,0,1]=4 137 B11R1.28 c1ccc(cc1)COCCN AB05315 [1,1,0,0,0,0|2,0,0]=4 138 B11R1.91 CC(=O)\C=C\c1ccccc1 CB10061 [1,1,0,0,0,0|1,0,1]=4 139 B11R1.20 CC(=O)Nc1ccc(cn1)I AB08522 [1,1,0,0,0,0|2,0,0]=4 140 B11R1.20 CC(=O)Nc1ccc(cn1)N AB04216 [1,1,0,0,0,0|2,0,0]=4 141 B11R1.20 CC(=O)Nc1ccc(nc1)Br AB30811 [1,1,0,0,0,0|2,0,0]=4 142 B11R1.20 CC(=O)Oc1ccc(cc1)Cl AB06566 [1,1,0,0,0,0|1,0,0]=3 143 B11R1.20 CC(Cc1ccc(cc1)Br)N MB00407 [1,1,0,0,0,0|1,0,1]=4 144 B11R1.20 CC(Cc1ccc(cc1)Cl)N MB01958 [1,1,0,0,0,0|1,0,1]=4 145 B11R1.20 CN(C)Cc1ccc(cc1)Br AB01531 [1,1,0,0,0,0|2,0,0]=4 146 B11R1.20 CN(C)Cc1ccc(cc1)N AB01571 [1,1,0,0,0,0|2,0,0]=4 147 B11R1.20 C[C@@H](Cc1ccc(cc1)Br)N AB76442 [1,1,0,0,0,0|1,0,1]=4 148 B11R1.20 C[C@@H](Cc1ccc(cc1)F)N AB76433 [1,1,0,0,0,0|1,0,1]=4 149 B11R1.20 C[C@H](Cc1ccc(cc1)Br)N AB76429 [1,1,0,0,0,0|1,0,1]=4 150 B11R1.20 C[C@H](Cc1ccc(cc1)F)N AB76425 [1,1,0,0,0,0|1,0,1]=4 151 B11R1.20 Cc1ccc(cc1)CC(=N)N AB29086 [1,1,0,0,0,0|2,0,0]=4 152 B11R1.20 Cc1ccc(cc1)CC(C)N MB01961 [1,1,0,0,0,0|1,0,1]=4 153 B11R1.20 Cc1ccc(cn1)CC(=O)O AB04515 [1,1,0,0,0,0|1,0,0]=3 154 B11R1.20 Cc1ccc(nc1)CC(=O)O AB55198 [1,1,0,0,0,0|1,0,0]=3 155 B11R1.20 Cc1cnc(cn1)CC(=O)O AB69910 [1,1,0,0,0,0|2,0,0]=4 156 B11R1.20 c1c(cnc(n1)CC(=O)O)Br PB16211 [1,1,0,0,0,0|2,0,0]=4 157 B11R1.20 c1c(cnc(n1)CC(=O)O)Cl AB59161 [1,1,0,0,0,0|2,0,0]=4 158 B11R1.20 c1c(cnc(n1)CC(=O)O)F AB68737 [1,1,0,0,0,0|2,0,0]=4 159 B11R1.20 c1c(ncc(n1)Cl)CC(=O)O AB69911 [1,1,0,0,0,0|2,0,0]=4 160 B11R1.20 c1cc(ccc1CC(=N)N)Br AB48908 [1,1,0,0,0,0|2,0,0]=4 161 B11R1.20 c1cc(ccc1CC(=N)N)Cl AB29080 [1,1,0,0,0,0|2,0,0]=4 162 B11R1.20 c1cc(ccc1CC(=N)N)F AB29082 [1,1,0,0,0,0|2,0,0]=4 163 B11R1.20 c1cc(ccc1CC(=O)O)Br AB00367 [1,1,0,0,0,0|0,0,0]=2 164 B11R1.20 c1cc(ncc1Br)CC(=O)O PB31471 [1,1,0,0,0,0|1,0,0]=3 165 B11R1.20 c1cc(ncc1CC(=O)O)Br AB71018 [1,1,0,0,0,0|1,0,0]=3 166 B11R1.20 c1cc(ncc1CC(=O)O)Cl AB10318 [1,1,0,0,0,0|1,0,0]=3 167 B11R1.20 c1cc(ncc1CC(=O)O)F AB55206 [1,1,0,0,0,0|1,0,0]=3 168 B11R1.20 c1cc(ncc1F)CC(=O)O AB55200 [1,1,0,0,0,0|1,0,0]=3 169 B11R1.20 c1cc(ncc1I)CC(=O)O PB21451 [1,1,0,0,0,0|1,0,0]=3 170 B11R1.36 c1cc(cnc1)C(C(=O)O)N AB06681 [1,1,0,0,0,0|1,0,0]=3 171 B11R1.36 c1cc(cnc1)C(C(=O)O)N AB12427 [1,1,0,0,0,0|1,0,0]=3 172 B11R1.36 c1cc(cnc1)[C@@H](C(=O)O)N AB30490 [1,1,0,0,0,0|1,0,0]=3 173 B11R1.36 c1cc(cnc1)[C@H](C(=O)O)N AB33298 [1,1,0,0,0,0|1,0,0]=3 174 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N AB02597 [1,1,0,0,0,0|0,0,0]=2 175 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)N AB00920 [1,1,0,0,0,0|0,0,0]=2 176 B11R1.36 c1ccnc(c1)C(C(=O)O)N AB21618 [1,1,0,0,0,0|1,0,0]=3 177 B11R1.36 c1ccnc(c1)[C@@H](C(=O)O)N AB30492 [1,1,0,0,0,0|1,0,0]=3 178 B11R1.36 c1ccnc(c1)[C@H](C(=O)O)N AB33283 [1,1,0,0,0,0|1,0,0]=3 179 B11R1.36 c1cnc(cn1)C(C(=O)O)N AB21620 [1,1,0,0,0,0|2,0,0]=4 180 B11R1.36 c1cnccc1C(C(=O)O)N AB21617 [1,1,0,0,0,0|1,0,0]=3 181 B11R1.36 c1cnccc1[C@@H](C(=O)O)N AB30487 [1,1,0,0,0,0|1,0,0]=3 182 B11R1.36 c1cnccc1[C@H](C(=O)O)N AB33310 [1,1,0,0,0,0|1,0,0]=3 183 B11R1.86 CC(=O)Nc1ccccc1O AB00212 [1,1,0,0,0,0|1,0,0]=3 184 B11R1.86 CC(=O)Nc1cccnc1Br MB03384 [1,1,0,0,0,0|2,0,0]=4 185 B11R1.86 CC(=O)Nc1cnccc1N MB08841 [1,1,0,0,0,0|2,0,0]=4 186 B11R1.86 CC(Cc1ccccc1Br)N MB08211 [1,1,0,0,0,0|1,0,1]=4 187 B11R1.86 CC(Cc1ccccc1Cl)N MB06204 [1,1,0,0,0,0|1,0,1]=4 188 B11R1.86 CN(C)Cc1ccccc1Br AB01037 [1,1,0,0,0,0|2,0,0]=4 189 B11R1.86 CN(C)Cc1ccccc1N AB01574 [1,1,0,0,0,0|2,0,0]=4 190 B11R1.86 Cc1ccccc1CC(C)N MB01550 [1,1,0,0,0,0|1,0,1]=4 191 B11R1.86 c1cc(c(nc1)CC(=O)O)Br PB17731 [1,1,0,0,0,0|1,0,0]=3 192 B11R1.86 c1cc(c(nc1)CC(=O)O)F AB55219 [1,1,0,0,0,0|1,0,0]=3 193 B11R1.86 c1cc(c(nc1)Cl)CC(=O)O PB10699 [1,1,0,0,0,0|1,0,0]=3 194 B11R1.86 c1ccc(c(c1)CC(=N)N)Cl AB60879 [1,1,0,0,0,0|2,0,0]=4 195 B11R1.86 c1ccc(c(c1)CC(=O)Cl)F AB16515 [1,1,0,0,0,0|1,0,0]=3 196 B11R1.86 c1ccc(c(c1)CC(=O)N)N AB26281 [1,1,0,0,0,0|1,0,0]=3 197 B11R1.86 c1ccc(c(c1)CC(=O)O)N AB15776 [1,1,0,0,0,0|0,0,0]=2 198 B11R1.86 c1ccc(c(c1)NC(=O)N)Br CB10141 [1,1,0,0,0,0|2,0,0]=4 199 B11R1.86 c1cnc(c(n1)CC(=O)O)Cl PB36328 [1,1,0,0,0,0|2,0,0]=4 200 B11R1.157 CC(=O)Nc1cc(cnc1)Br MB13418 [1,1,0,0,0,0|2,0,0]=4 201 B11R1.157 CC(=O)Nc1cccc(c1)O AB00216 [1,1,0,0,0,0|1,0,0]=3 202 B11R1.157 CC(=O)Nc1cccc(n1)Br MB01012 [1,1,0,0,0,0|2,0,0]=4 203 B11R1.157 CC(=O)Nc1ccnc(c1)Br MB14356 [1,1,0,0,0,0|2,0,0]=4 204 B11R1.157 CC(Cc1cccc(c1)Br)N MB06206 [1,1,0,0,0,0|1,0,1]=4 205 B11R1.157 CC(Cc1cccc(c1)Cl)N MB06208 [1,1,0,0,0,0|1,0,1]=4 206 B11R1.157 CN(C)Cc1cccc(c1)Br AB20761 [1,1,0,0,0,0|2,0,0]=4 207 B11R1.157 CN(C)Cc1cccc(c1)N AB01577 [1,1,0,0,0,0|2,0,0]=4 208 B11R1.157 C[C@@H](Cc1cccc(c1)Br)N AB76444 [1,1,0,0,0,0|1,0,1]=4 209 B11R1.157 C[C@@H](Cc1cccc(c1)F)N AB76436 [1,1,0,0,0,0|1,0,1]=4 210 B11R1.157 C[C@H](Cc1cccc(c1)Br)N AB76430 [1,1,0,0,0,0|1,0,1]=4 211 B11R1.157 Cc1cc(ccn1)NC(=O)C AB53272 [1,1,0,0,0,0|2,0,0]=4 212 B11R1.157 Cc1cccc(c1)CC(=N)N AB49995 [1,1,0,0,0,0|2,0,0]=4 213 B11R1.157 Cc1cccc(c1)CC(C)N MB05181 [1,1,0,0,0,0|1,0,1]=4 214 B11R1.157 Cc1cccc(c1)NC(=O)C AB01179 [1,1,0,0,0,0|1,0,0]=3 215 B11R1.157 Cc1ccnc(c1)NC(=O)C AB05238 [1,1,0,0,0,0|2,0,0]=4 216 B11R1.157 Cc1ccnc(n1)CC(=O)O AB59182 [1,1,0,0,0,0|2,0,0]=4 217 B11R1.157 c1c(cncc1Br)CC(=O)O AB07359 [1,1,0,0,0,0|1,0,0]=3 218 B11R1.157 c1c(cncc1F)CC(=O)O PB22356 [1,1,0,0,0,0|1,0,0]=3 219 B11R1.157 c1cc(cc(c1)Br)CC(=N)N AB60873 [1,1,0,0,0,0|2,0,0]=4 220 B11R1.157 c1cc(cc(c1)Br)CC(=O)N AB42612 [1,1,0,0,0,0|1,0,0]=3 221 B11R1.157 c1cc(cc(c1)Br)CC(=O)O AB00359 [1,1,0,0,0,0|0,0,0]=2 222 B11R1.157 c1cc(cc(c1)Cl)CC(=O)O AB00363 [1,1,0,0,0,0|0,0,0]=2 223 B11R1.157 c1cc(cc(c1)F)CC(=N)N AB49997 [1,1,0,0,0,0|2,0,0]=4 224 B11R1.157 c1cc(cc(c1)F)CC(=O)O AB00361 [1,1,0,0,0,0|0,0,0]=2 225 B11R1.157 c1cc(nc(c1)Br)CC(=O)O CB11432 [1,1,0,0,0,0|1,0,0]=3 226 B11R1.157 c1cc(nc(c1)F)CC(=O)O AB55215 [1,1,0,0,0,0|1,0,0]=3 227 B11R1.157 c1cnc(cc1CC(=O)O)Br AB31444 [1,1,0,0,0,0|1,0,0]=3 228 B11R1.157 c1cnc(cc1CC(=O)O)Cl AB31448 [1,1,0,0,0,0|1,0,0]=3 229 B11R1.157 c1cnc(cc1CC(=O)O)N AB31440 [1,1,0,0,0,0|1,0,0]=3 230 B11R1.157 c1cnc(nc1Br)CC(=O)O AB59073 [1,1,0,0,0,0|2,0,0]=4 231 B11R1.509 CC(C)(Cc1ccccc1)N AB02355 [1,1,0,0,0,0|1,0,1]=4 232 B11R1.22 CCC(=O)c1ccc(cn1)Br AB68534 [0,1,0,0,1,0|2,0,0]=4 233 B11R1.22 CNC(=O)c1ccc(cc1)O MB02709 [0,1,0,0,1,0|1,0,0]=3 234 B11R1.22 CNC(=O)c1ccc(cn1)O MB11446 [0,1,0,0,1,0|2,0,0]=4 235 B11R1.22 CNC(=O)c1ccc(nc1)Br MB07978 [0,1,0,0,1,0|2,0,0]=4 236 B11R1.22 COC(=N)c1ccc(cc1)F AB60956 [0,1,0,0,1,0|1,0,0]=3 237 B11R1.22 COC(=N)c1ccc(cc1)N AB60980 [0,1,0,0,1,0|1,0,0]=3 238 B11R1.22 COC(=N)c1ccc(cc1)O AB01949 [0,1,0,0,1,0|1,0,0]=3 239 B11R1.22 COC(=O)c1ccc(cn1)Br PB29312 [0,1,0,0,1,0|1,0,0]=3 240 B11R1.22 COC(=O)c1ccc(cn1)Cl AB51080 [0,1,0,0,1,0|1,0,0]=3 241 B11R1.22 COC(=O)c1ccc(cn1)N PB26290 [0,1,0,0,1,0|1,0,0]=3 242 B11R1.22 COC(=O)c1ccc(cn1)O PB27686 [0,1,0,0,1,0|1,0,0]=3 243 B11R1.22 COC(=O)c1ccc(nc1)Br PB29326 [0,1,0,0,1,0|1,0,0]=3 244 B11R1.22 COC(=O)c1ccc(nc1)N PB19892 [0,1,0,0,1,0|1,0,0]=3 245 B11R1.22 COC(=O)c1ccc(nc1)O PB34296 [0,1,0,0,1,0|1,0,0]=3 246 B11R1.22 COC(=O)c1ccc(nn1)Br MB13587 [0,1,0,0,1,0|2,0,0]=4 247 B11R1.22 COC(=O)c1ccc(nn1)Cl PB18925 [0,1,0,0,1,0|2,0,0]=4 248 B11R1.22 COC(=O)c1ccc(nn1)N PB33362 [0,1,0,0,1,0|2,0,0]=4 249 B11R1.22 COC(=O)c1ccc(nn1)O PB13716 [0,1,0,0,1,0|2,0,0]=4 250 B11R1.22 COC(=O)c1cnc(cn1)Br MB08354 [0,1,0,0,1,0|2,0,0]=4 251 B11R1.22 COC(=O)c1cnc(cn1)Cl PB33958 [0,1,0,0,1,0|2,0,0]=4 252 B11R1.22 COC(=O)c1cnc(cn1)N PB12687 [0,1,0,0,1,0|2,0,0]=4 253 B11R1.22 COC(=O)c1cnc(cn1)O PB32586 [0,1,0,0,1,0|2,0,0]=4 254 B11R1.22 COC(=O)c1cnc(nc1)Br MB14326 [0,1,0,0,1,0|2,0,0]=4 255 B11R1.22 COC(=O)c1cnc(nc1)Cl PB17570 [0,1,0,0,1,0|2,0,0]=4 256 B11R1.22 COC(=O)c1cnc(nc1)N PB27896 [0,1,0,0,1,0|2,0,0]=4 257 B11R1.22 COC(=O)c1ncc(cn1)Br PB26634 [0,1,0,0,1,0|2,0,0]=4 258 B11R1.22 COC(=O)c1ncc(cn1)N PB10524 [0,1,0,0,1,0|2,0,0]=4 259 B11R1.22 COC(=O)c1ncc(cn1)N PB37109 [0,1,0,0,1,0|2,0,0]=4 260 B11R1.22 COS(=O)c1ccc(cc1)Cl AB45287 [0,1,0,0,1,0|1,0,0]=3 261 B11R1.22 Cc1ccc(cc1)C(=O)C=O AB05249 [0,1,0,0,1,0|2,0,0]=4 262 B11R1.22 Cc1ccc(cc1)C(=O)C=O AB05288 [0,1,0,0,1,0|2,0,0]=4 263 B11R1.22 Cc1cnc(nc1)C(=O)OC PB28603 [0,1,0,0,1,0|2,0,0]=4 264 B11R1.22 Cc1ncc(cn1)C(=O)OC PB10888 [0,1,0,0,1,0|2,0,0]=4 265 B11R1.22 c1cc(ccc1C(=O)C#N)Br MB00883 [0,1,0,0,1,0|2,0,0]=4 266 B11R1.22 c1cc(ccc1C(=O)C=O)Br AB07939 [0,1,0,0,1,0|2,0,0]=4 267 B11R1.22 c1cc(ccc1C(=O)C=O)Br AB49987 [0,1,0,0,1,0|2,0,0]=4 268 B11R1.22 c1cc(ccc1C(=O)C=O)Cl AB44429 [0,1,0,0,1,0|2,0,0]=4 269 B11R1.22 c1cc(ccc1C(=O)C=O)F AB09010 [0,1,0,0,1,0|2,0,0]=4 270 B11R1.22 c1cc(ccc1C(=O)C=O)O AB02263 [0,1,0,0,1,0|2,0,0]=4 271 B11R1.22 c1cc(ccc1C(=O)CN)Br CB10172 [0,1,0,0,1,0|2,0,0]=4 272 B11R1.22 c1cc(ccc1C(=O)CO)F MB02453 [0,1,0,0,1,0|2,0,0]=4 273 B11R1.23 CNC(=O)c1cc(ccn1)Br MB13829 [0,1,0,0,1,0|2,0,0]=4 274 B11R1.23 CNC(=O)c1cc(ccn1)Cl AB11548 [0,1,0,0,1,0|2,0,0]=4 275 B11R1.23 CNC(=O)c1cc(ccn1)N AB65387 [0,1,0,0,1,0|2,0,0]=4 276 B11R1.23 CNC(=O)c1cc(ccn1)O MB25398 [0,1,0,0,1,0|2,0,0]=4 277 B11R1.23 CNC(=O)c1cc(cnc1)Br MB02044 [0,1,0,0,1,0|2,0,0]=4 278 B11R1.23 CNC(=O)c1cc(cnc1)O MB25513 [0,1,0,0,1,0|2,0,0]=4 279 B11R1.23 CNC(=O)c1cccc(c1)O MB06615 [0,1,0,0,1,0|1,0,0]=3 280 B11R1.23 CNC(=O)c1cccc(n1)Br MB08958 [0,1,0,0,1,0|2,0,0]=4 281 B11R1.23 CNC(=O)c1ccnc(c1)Br MB02752 [0,1,0,0,1,0|2,0,0]=4 282 B11R1.23 COC(=N)c1cccc(c1)Br AB60887 [0,1,0,0,1,0|1,0,0]=3 283 B11R1.23 COC(=N)c1cccc(c1)Cl AB60959 [0,1,0,0,1,0|1,0,0]=3 284 B11R1.23 COC(=N)c1cccc(c1)N AB60976 [0,1,0,0,1,0|1,0,0]=3 285 B11R1.23 COC(=N)c1cccc(c1)O AB60982 [0,1,0,0,1,0|1,0,0]=3 286 B11R1.23 COC(=O)c1cc(ccn1)Br PB30917 [0,1,0,0,1,0|1,0,0]=3 287 B11R1.23 COC(=O)c1cc(ccn1)Cl AB20667 [0,1,0,0,1,0|1,0,0]=3 288 B11R1.23 COC(=O)c1cc(ccn1)Cl PB18698 [0,1,0,0,1,0|1,0,0]=3 289 B11R1.23 COC(=O)c1cc(ccn1)F AB40664 [0,1,0,0,1,0|1,0,0]=3 290 B11R1.23 COC(=O)c1cc(ccn1)O AB65280 [0,1,0,0,1,0|1,0,0]=3 291 B11R1.23 COC(=O)c1cc(cnc1)Br PB10112 [0,1,0,0,1,0|1,0,0]=3 292 B11R1.23 COC(=O)c1cc(cnc1)F PB12769 [0,1,0,0,1,0|1,0,0]=3 293 B11R1.23 COC(=O)c1cc(cnc1)N PB12793 [0,1,0,0,1,0|1,0,0]=3 294 B11R1.23 COC(=O)c1cc(cnc1)O AB04590 [0,1,0,0,1,0|1,0,0]=3 295 B11R1.23 COC(=O)c1cc(ncn1)Br MB14353 [0,1,0,0,1,0|2,0,0]=4 296 B11R1.23 COC(=O)c1cc(nnc1)Cl PB31801 [0,1,0,0,1,0|2,0,0]=4 297 B11R1.23 COC(=O)c1cc[nH]c(=O)c1 PB32713 [0,1,0,0,1,0|1,0,0]=3 298 B11R1.23 COC(=O)c1cccc(c1)Cl AB00128 [0,1,0,0,1,0|0,0,0]=2 299 B11R1.23 COC(=O)c1cccc(n1)Br AB23211 [0,1,0,0,1,0|1,0,0]=3 300 B11R1.23 COC(=O)c1cccc(n1)Cl MB00777 [0,1,0,0,1,0|1,0,0]=3 301 B11R1.23 COC(=O)c1cccc(n1)I AB42501 [0,1,0,0,1,0|1,0,0]=3 302 B11R1.23 COC(=O)c1cccc(n1)N PB25993 [0,1,0,0,1,0|1,0,0]=3 303 B11R1.23 COC(=O)c1ccnc(c1)Br AB16210 [0,1,0,0,1,0|1,0,0]=3 304 B11R1.23 COC(=O)c1ccnc(c1)Cl PB12260 [0,1,0,0,1,0|1,0,0]=3 305 B11R1.23 COC(=O)c1ccnc(c1)I AB43759 [0,1,0,0,1,0|1,0,0]=3 306 B11R1.23 COC(=O)c1ccnc(c1)N PB29300 [0,1,0,0,1,0|1,0,0]=3 307 B11R1.23 COC(=O)c1ccnc(n1)Br MB14325 [0,1,0,0,1,0|2,0,0]=4 308 B11R1.23 COC(=O)c1ccnc(n1)Cl PB23898 [0,1,0,0,1,0|2,0,0]=4 309 B11R1.23 COC(=O)c1cncc(n1)Cl PB17754 [0,1,0,0,1,0|2,0,0]=4 310 B11R1.23 COC(=O)c1cncc(n1)N AB60529 [0,1,0,0,1,0|2,0,0]=4 311 B11R1.23 COC(=O)c1nccc(n1)Br MB13584 [0,1,0,0,1,0|2,0,0]=4 312 B11R1.23 Cc1cc(ccn1)C(=O)OC AB55692 [0,1,0,0,1,0|1,0,0]=3 313 B11R1.23 Cc1cc(cnc1)C(=O)OC PB14201 [0,1,0,0,1,0|1,0,0]=3 314 B11R1.23 Cc1cc(ncn1)C(=O)OC PB28486 [0,1,0,0,1,0|2,0,0]=4 315 B11R1.23 c1cc(cc(c1)Br)C(=O)C=O AB45356 [0,1,0,0,1,0|2,0,0]=4 316 B11R1.23 c1cc(cc(c1)Br)C(=O)C=O AB48671 [0,1,0,0,1,0|2,0,0]=4 317 B11R1.23 c1cc(cc(c1)Cl)C(=O)C#N MB03014 [0,1,0,0,1,0|2,0,0]=4 318 B11R1.23 c1cc(cc(c1)Cl)C(=O)C=O AB48675 [0,1,0,0,1,0|2,0,0]=4 319 B11R1.23 c1cc(cc(c1)F)C(=O)C=O AB29976 [0,1,0,0,1,0|2,0,0]=4 320 B11R1.23 c1cc(cc(c1)N)C(=O)CBr AB27803 [0,1,0,0,1,0|2,0,0]=4 321 B11R1.222 CCC(=O)c1ccccc1F MB00205 [0,1,0,0,1,0|1,0,0]=3 322 B11R1.222 CNC(=O)c1c(cccn1)O MB12020 [0,1,0,0,1,0|2,0,0]=4 323 B11R1.222 CNC(=O)c1ccccc1O MB00422 [0,1,0,0,1,0|1,0,0]=3 324 B11R1.222 CNC(=O)c1ccncc1O MB25570 [0,1,0,0,1,0|2,0,0]=4 325 B11R1.222 CNC(=O)c1cnccc1O MB38207 [0,1,0,0,1,0|2,0,0]=4 326 B11R1.222 COC(=N)c1ccccc1Cl AB60968 [0,1,0,0,1,0|1,0,0]=3 327 B11R1.222 COC(=N)c1ccccc1F AB60966 [0,1,0,0,1,0|1,0,0]=3 328 B11R1.222 COC(=N)c1ccccc1O AB60984 [0,1,0,0,1,0|1,0,0]=3 329 B11R1.222 COC(=O)c1c(cccn1)Br PB13499 [0,1,0,0,1,0|1,0,0]=3 330 B11R1.222 COC(=O)c1c(cccn1)N AB48413 [0,1,0,0,1,0|1,0,0]=3 331 B11R1.222 COC(=O)c1c(nccn1)Br PB16076 [0,1,0,0,1,0|2,0,0]=4 332 B11R1.222 COC(=O)c1c(nccn1)Cl PB15729 [0,1,0,0,1,0|2,0,0]=4 333 B11R1.222 COC(=O)c1c(nccn1)O AB13230 [0,1,0,0,1,0|2,0,0]=4 334 B11R1.222 COC(=O)c1cccnc1Br AB31400 [0,1,0,0,1,0|1,0,0]=3 335 B11R1.222 COC(=O)c1cccnc1Cl PB12739 [0,1,0,0,1,0|1,0,0]=3 336 B11R1.222 COC(=O)c1cccnc1O AB44640 [0,1,0,0,1,0|1,0,0]=3 337 B11R1.222 COC(=O)c1ccncc1Br PB14358 [0,1,0,0,1,0|1,0,0]=3 338 B11R1.222 COC(=O)c1ccncc1I PB10250 [0,1,0,0,1,0|1,0,0]=3 339 B11R1.222 COC(=O)c1ccncc1N PB21166 [0,1,0,0,1,0|1,0,0]=3 340 B11R1.222 COC(=O)c1cnccc1Cl AB56385 [0,1,0,0,1,0|1,0,0]=3 341 B11R1.222 COC(=O)c1cnccc1F AB70564 [0,1,0,0,1,0|1,0,0]=3 342 B11R1.222 COC(=O)c1cnccc1N PB32232 [0,1,0,0,1,0|1,0,0]=3 343 B11R1.222 COC(=O)c1cncnc1N AB70459 [0,1,0,0,1,0|2,0,0]=4 344 B11R1.222 Cc1c(nccn1)C(=O)OC AB48626 [0,1,0,0,1,0|2,0,0]=4 345 B11R1.222 Cc1ccccc1C(=O)OC AB00946 [0,1,0,0,1,0|0,0,0]=2 346 B11R1.222 Cc1cccnc1C(=O)OC AB16147 [0,1,0,0,1,0|1,0,0]=3 347 B11R1.222 Cc1cnccc1C(=O)OC PB29263 [0,1,0,0,1,0|1,0,0]=3 348 B11R1.222 Cc1cnncc1C(=O)OC PB35502 [0,1,0,0,1,0|2,0,0]=4 349 B11R1.222 c1ccc(c(c1)C(=O)C#N)Cl MB02595 [0,1,0,0,1,0|2,0,0]=4 350 B11R1.222 c1ccc(c(c1)C(=O)C=O)Cl AB55316 [0,1,0,0,1,0|2,0,0]=4 351 B11R1.222 c1ccc(c(c1)C(=O)C=O)F AB49795 [0,1,0,0,1,0|2,0,0]=4 352 B11R1.30 CCOC(=O)CC1=NC=CC1 PB18028 [0,1,0,0,1,0|1,0,1]=4 353 B11R1.30 CCOC(=O)Cc1ncco1 AB62459 [0,1,0,0,1,0|2,0,0]=4 354 B11R1.31 COC(=O)C(c1ccsc1)N AB20168 [0,1,0,0,1,0|1,0,0]=3 355 B11R1.39 COC(=O)Cc1cnc(o1)N AB61458 [0,1,0,0,1,0|2,0,0]=4 356 B11R1.39 COC(=O)Cc1cnc(s1)N PB16816 [0,1,0,0,1,0|2,0,0]=4 357 B11R1.39 COC(=O)Cc1cnc(s1)N PB32379 [0,1,0,0,1,0|2,0,0]=4 358 B11R1.39 COC(=O)Cc1nc(cs1)Cl PB38828 [0,1,0,0,1,0|2,0,0]=4 359 B11R1.39 COC(=O)Cc1ncc(s1)Cl PB38784 [0,1,0,0,1,0|2,0,0]=4 360 B13R1.11 COC(=O)C[C@@H](c1ccccc1)N AB43040 [0,1,0,0,0,1|0,0,0]=2 361 B13R1.11 COC(=O)C[C@H](c1ccccc1)N AB43041 [0,1,0,0,0,1|0,0,0]=2 362 B13R1.14 COC(=O)CCc1ccc(cc1)Br AB55324 [0,1,0,0,0,1|0,0,0]=2 363 B13R1.14 COC(=O)\C=C\c1ccc(cc1)Br AB04162 [0,1,0,0,0,1|0,0,1]=3 364 B13R1.15 COC(=O)CCc1cccc(c1)Cl AB18124 [0,1,0,0,0,1|0,0,0]=2 365 B13R1.42 C=CNC(=O)OCc1ccccc1 AB17881 [0,1,0,0,0,1|1,0,1]=4 366 B13R1.135 COC(=O)C(Cc1ccccc1)N AB01980 [0,1,0,0,0,1|0,0,0]=2 367 B13R1.135 COC(=O)[C@H](Cc1ccccc1)N AB01100 [0,1,0,0,0,1|0,0,0]=2 368 B13R1.19 CCOC(=O)Cc1ccc(cn1)Br PB32861 [0,2,0,0,0,0|1,0,0]=3 369 B13R1.19 CCOC(=O)Cc1ccc(cn1)C AB62474 [0,2,0,0,0,0|1,0,0]=3 370 B13R1.19 CCOC(=O)Cc1ccc(cn1)Cl AB62485 [0,2,0,0,0,0|1,0,0]=3 371 B13R1.19 CCOC(=O)Cc1ccc(cn1)I PB37907 [0,2,0,0,0,0|1,0,0]=3 372 B13R1.19 CCOC(=O)Cc1ccc(cn1)N PB35666 [0,2,0,0,0,0|1,0,0]=3 373 B13R1.19 CCOC(=O)Cc1ccc(cn1)O PB13946 [0,2,0,0,0,0|1,0,0]=3 374 B13R1.19 CCOC(=O)Cc1ccc(nn1)Cl PB34482 [0,2,0,0,0,0|2,0,0]=4 375 B13R1.19 CCOC(=O)Cc1cnc(cn1)C AB70233 [0,2,0,0,0,0|2,0,0]=4 376 B13R1.19 CCOC(=O)Cc1cnc(cn1)Cl AB70230 [0,2,0,0,0,0|2,0,0]=4 377 B13R1.19 CCOC(=O)Cc1cnc(cn1)N AB70237 [0,2,0,0,0,0|2,0,0]=4 378 B13R1.19 CCOC(=O)Cc1ncc(cn1)Br PB25238 [0,2,0,0,0,0|2,0,0]=4 379 B13R1.19 CCOC(=O)Cc1ncc(cn1)Cl AB58665 [0,2,0,0,0,0|2,0,0]=4 380 B13R1.19 CCOC(=O)Cc1ncc(cn1)F AB68740 [0,2,0,0,0,0|2,0,0]=4 381 B13R1.19 CCOC(=O)Cc1ncc(cn1)N AB59192 [0,2,0,0,0,0|2,0,0]=4 382 B13R1.20 CCOC(=O)Cc1cc(ccn1)Br AB56161 [0,2,0,0,0,0|1,0,0]=3 383 B13R1.20 CCOC(=O)Cc1cc(ccn1)Cl AB62486 [0,2,0,0,0,0|1,0,0]=3 384 B13R1.20 CCOC(=O)Cc1cc(ccn1)F AB73183 [0,2,0,0,0,0|1,0,0]=3 385 B13R1.20 CCOC(=O)Cc1cc(cnc1)F PB16652 [0,2,0,0,0,0|1,0,0]=3 386 B13R1.20 CCOC(=O)Cc1cc(ncn1)C PB27466 [0,2,0,0,0,0|2,0,0]=4 387 B13R1.20 CCOC(=O)Cc1cccc(n1)Br AB56168 [0,2,0,0,0,0|1,0,0]=3 388 B13R1.20 CCOC(=O)Cc1cccc(n1)C AB62471 [0,2,0,0,0,0|1,0,0]=3 389 B13R1.20 CCOC(=O)Cc1cccc(n1)N AB51555 [0,2,0,0,0,0|1,0,0]=3 390 B13R1.20 CCOC(=O)Cc1ccnc(c1)F AB72863 [0,2,0,0,0,0|1,0,0]=3 391 B13R1.20 CCOC(=O)Cc1cncc(n1)Cl AB69951 [0,2,0,0,0,0|2,0,0]=4 392 B13R1.20 CCOC(=O)Cc1nccc(n1)Cl AB58887 [0,2,0,0,0,0|2,0,0]=4 393 B13R1.47 CCOC(=O)C(=O)c1ccccn1 PB27742 [0,2,0,0,0,0|1,0,1]=4 394 B13R1.47 CCOC(=O)C(c1ccccn1)N PB12827 [0,2,0,0,0,0|1,0,0]=3 395 B13R1.470 CCOC(=O)Cc1c(cccn1)C AB62477 [0,2,0,0,0,0|1,0,0]=3 396 B13R1.470 CCOC(=O)Cc1c(cccn1)N AB64428 [0,2,0,0,0,0|1,0,0]=3 397 B13R1.470 CCOC(=O)Cc1c(nccn1)Cl AB70725 [0,2,0,0,0,0|2,0,0]=4 398 B13R1.470 CCOC(=O)Cc1ccccc1Cl AB50422 [0,2,0,0,0,0|0,0,0]=2 399 B13R1.470 CCOC(=O)Cc1ccccc1N AB06648 [0,2,0,0,0,0|0,0,0]=2 400 B13R1.470 CCOC(=O)Cc1ccccc1N AB26285 [0,2,0,0,0,0|0,0,0]=2 401 B13R1.470 CCOC(=O)Cc1cccnc1Cl PB27136 [0,2,0,0,0,0|1,0,0]=3 402 B13R1.470 CCOC(=O)Cc1ccncc1N AB64424 [0,2,0,0,0,0|1,0,0]=3 403 B13R1.21 COC(=O)C(c1ccc(cc1)N)Br AB66082 [0,2,0,0,0,0|0,0,0]=2 404 B13R1.21 COC(=O)[C@H](c1ccc(cc1)F)N AB48592 [0,2,0,0,0,0|0,0,0]=2 405 B13R1.532 COC(=O)[C@H](CN)c1ccccc1 MB69439 [0,2,0,0,0,0|0,0,0]=2 406 B13R1.532 COC(=O)[C@H](CN)c1ccccn1 MB69443 [0,2,0,0,0,0|1,0,0]=3 407 B13R1.532 COC(=O)[C@H](CN)c1cccnc1 MB69446 [0,2,0,0,0,0|1,0,0]=3 408 B13R1.532 COC(=O)[C@H](CN)c1ccncc1 MB69444 [0,2,0,0,0,0|1,0,0]=3 409 B13R1.696 Cc1ccccc1C(=O)C(=O)OC CB10469 [0,2,0,0,0,0|0,0,1]=3 410 B13R1.708 COC(=O)C(c1ccccc1)(F)F AB65304 [0,2,0,0,0,0|0,0,0]=2 411 B13R1.708 COC(=O)C(c1cccnc1)(F)F AB84726 [0,2,0,0,0,0|1,0,0]=3 412 B13R1.133 c1cc(ccc1CC(=O)C(=O)O)Br MB05635 [0,2,0,0,0,0|2,0,0]=4 413 B13R1.5 COc1ccc(cc1)CC(=N)OC AB60937 [0,2,0,0,0,0|1,0,0]=3 414 B13R1.2879 Cc1cc(ccc1O)CC(=O)OC AB43599 [0,2,0,0,0,0|0,0,0]=2 415 B13R1.2879 Cc1cc(ncc1Br)CC(=O)OC AB41184 [0,2,0,0,0,0|1,0,0]=3 416 B13R1.2879 Cc1cc(nnc1Cl)CC(=O)OC PB37435 [0,2,0,0,0,0|2,0,0]=4 417 B13R1.81 COC(=O)Cc1ccnc(c1)CN AB31459 [0,2,0,0,0,0|1,0,0]=3 418 B13R1.81 COC(=O)Cc1nccc(n1)C=O AB58719 [0,2,0,0,0,0|2,0,0]=4 419 B13R1.81 COc1cccc(c1)CC(=N)OC AB60930 [0,2,0,0,0,0|1,0,0]=3 420 B13R1.2874 COC(=N)Cc1cc(cc(c1)Cl)Cl AB60939 [0,2,0,0,0,0|1,0,0]=3 421 B13R1.2874 Cc1nc(cc(n1)O)CC(=O)OC AB14226 [0,2,0,0,0,0|2,0,0]=4 422 B13R1.91 COC(=O)Cc1ccccc1C#N AB11476 [0,2,0,0,0,0|0,0,0]=2 423 B13R1.91 COC(=O)Cc1ccccc1CN AB55321 [0,2,0,0,0,0|0,0,0]=2 424 B13R1.4928 Cc1ccnc(c1CC(=O)OC)C AB82523 [0,2,0,0,0,0|1,0,0]=3 425 B11R2.1 CN1CCc2c1cccc2 MB02030 [1,0,0,1,0,0|1,0,1]=4 426 B11R2.10 c1cc2c(nc1)CC(=O)N2 PB29192 [1,0,0,1,0,0|2,0,0]=4 427 B11R2.10 c1cc2c(nc1)NC(=O)C2 PB29419 [1,0,0,1,0,0|2,0,0]=4 428 B11R2.10 c1ccc2c(c1)CC(=O)N2 AB00523 [1,0,0,1,0,0|1,0,0]=3 429 B11R2.10 c1ccc2c(c1)CC(C2)Br MB05045 [1,0,0,1,0,0|1,0,1]=4 430 B11R2.10 c1ccc2c(c1)CC(C2)N AB03106 [1,0,0,1,0,0|1,0,1]=4 431 B11R2.10 c1ccc2c(c1)CN(C2)N MB09229 [1,0,0,1,0,0|2,0,0]=4 432 B11R2.10 c1ccc2c(c1)cc(o2)Br MB02457 [1,0,0,1,0,0|1,0,1]=4 433 B11R2.10 c1ccc2c(c1)nc(o2)Cl AB00524 [1,0,0,1,0,0|2,0,0]=4 434 B11R2.10 c1cncc2c1CC(=O)N2 PB19637 [1,0,0,1,0,0|2,0,0]=4 435 B11R2.10 c1cncc2c1NC(=O)C2 PB17659 [1,0,0,1,0,0|2,0,0]=4 436 B13R2.10 c1ccc(cc1)C2CC(=O)NC2 AB09758 [0,0,0,1,0,1|1,0,0]=3 437 B13R2.10 c1ccc(cc1)C2CCC(=O)C2 AB03360 [0,0,0,1,0,1|1,0,0]=3 438 B13R2.10 c1ccc(cc1)[C@@H]2COC(=S)N2 CB10902 [0,0,0,1,0,1|0,1,0]=3 439 B13R2.135 c1ccc2c(c1)C(C(=O)N2)CN AB28484 [0,1,0,1,0,0|2,0,0]=4 440 B13R2.163 c1ccc2c(c1)CCNC(=O)C2 MB01179 [0,1,0,1,0,0|1,0,0]=3 441 B13R2.163 c1ccc2c(c1)CCNC(=O)N2 AB65832 [0,1,0,1,0,0|2,0,0]=4 442 B13R2.328 CC1CC(=O)Nc2c1cccc2 MB08925 [0,1,0,1,0,0|2,0,0]=4 443 B13R2.328 CN1CC(=O)Nc2c1cccc2 MB12301 [0,1,0,1,0,0|2,0,0]=4 444 B13R2.328 c1ccc2c(c1)CC(=O)NC2=O AB05280 [0,1,0,1,0,0|1,0,1]=4 445 B13R2.359 CC1(c2ccccc2NC1=O)C MB00789 [0,1,0,1,0,0|2,0,0]=4 446 B13R2.369 CC1C(=O)Nc2ccccc2N1 PB10143 [0,1,0,1,0,0|2,0,0]=4 447 B13R2.369 CC1Cc2ccccc2NC1=O MB08929 [0,1,0,1,0,0|2,0,0]=4 448 B13R2.369 Cc1c(=O)oc2ccccc2n1 AB09692 [0,1,0,1,0,0|2,0,0]=4 449 B13R2.3028 CN1c2cc(ccc2CC1=O)N PB27060 [0,1,0,1,0,0|1,0,0]=3 450 B13R2.3683 Cc1cc2c(cn1)CC(=O)NC2 AB77252 [0,1,0,1,0,0|2,0,0]=4 451 B13R2.3683 Cc1ccc2c(c1)OCC(=O)C2 AB56631 [0,1,0,1,0,0|2,0,0]=4 452 B13R2.3683 Cc1ccc2c(n1)CCC(=O)C2 AB61021 [0,1,0,1,0,0|2,0,0]=4 453 B13R2.3683 c1c(cnc2c1CNC(=O)C2)Br AB77207 [0,1,0,1,0,0|2,0,0]=4 454 B13R2.3683 c1c(cnc2c1CNC(=O)C2)Cl AB77206 [0,1,0,1,0,0|2,0,0]=4 455 B13R2.3683 c1c(cnc2c1COC(=O)N2)Br AB65272 [0,1,0,1,0,0|2,0,0]=4 456 B13R2.3683 c1c2c(cnc1Br)CC(=O)NC2 AB77248 [0,1,0,1,0,0|2,0,0]=4 457 B13R2.3683 c1c2c(cnc1Cl)CC(=O)NC2 AB77246 [0,1,0,1,0,0|2,0,0]=4 458 B13R2.3683 c1cc(nc2c1CC(=O)CC2)Br AB74009 [0,1,0,1,0,0|2,0,0]=4 459 B13R2.3683 c1cc(nc2c1CC(=O)CC2)Cl AB74006 [0,1,0,1,0,0|2,0,0]=4 460 B13R2.3683 c1cc(nc2c1CC(=O)CC2)N AB74012 [0,1,0,1,0,0|2,0,0]=4 461 B13R2.3683 c1cc(nc2c1CC(=O)CC2)O AB61025 [0,1,0,1,0,0|2,0,0]=4 462 B13R2.3683 c1cc2c(cc1Br)CCC(=O)C2 AB05455 [0,1,0,1,0,0|1,0,0]=3 463 B13R2.3683 c1cc2c(cc1Br)OCC(=O)C2 AB56634 [0,1,0,1,0,0|2,0,0]=4 464 B13R2.3683 c1cc2c(cc1Cl)CCC(=O)C2 AB16018 [0,1,0,1,0,0|1,0,0]=3 465 B13R2.3683 c1cc2c(cc1Cl)OCC(=O)C2 AB56636 [0,1,0,1,0,0|2,0,0]=4 466 B13R2.3683 c1cc2c(cc1F)CCC(=O)C2 AB12639 [0,1,0,1,0,0|1,0,0]=3 467 B13R2.3683 c1cc2c(cc1F)OCC(=O)C2 AB56639 [0,1,0,1,0,0|2,0,0]=4 468 B13R2.3683 c1cc2c(cc1N)CCC(=O)N2 AB06458 [0,1,0,1,0,0|2,0,0]=4 469 B13R2.3683 c1cc2c(cc1O)CCC(=O)C2 MB03486 [0,1,0,1,0,0|1,0,0]=3 470 B13R2.155 Cc1cc2c(cn1)CNC(=O)C2 AB77276 [0,1,0,1,0,0|2,0,0]=4 471 B13R2.155 Cc1cc2c(nc1)CCC(=O)C2 AB61018 [0,1,0,1,0,0|2,0,0]=4 472 B13R2.155 Cc1ccc2c(c1)CC(=O)N=C2 MB08960 [0,1,0,1,0,0|1,0,1]=4 473 B13R2.155 Cc1ccc2c(n1)CC(=O)NC2 AB77215 [0,1,0,1,0,0|2,0,0]=4 474 B13R2.155 c1c(cnc2c1CC(=O)CC2)Br AB69367 [0,1,0,1,0,0|2,0,0]=4 475 B13R2.155 c1c(cnc2c1CC(=O)CC2)Cl AB61013 [0,1,0,1,0,0|2,0,0]=4 476 B13R2.155 c1c(cnc2c1CC(=O)CC2)F AB68743 [0,1,0,1,0,0|2,0,0]=4 477 B13R2.155 c1c2c(cnc1Br)CNC(=O)C2 AB77278 [0,1,0,1,0,0|2,0,0]=4 478 B13R2.155 c1c2c(cnc1Cl)CNC(=O)C2 AB77277 [0,1,0,1,0,0|2,0,0]=4 479 B13R2.155 c1cc(nc2c1CNC(=O)C2)Br AB77208 [0,1,0,1,0,0|2,0,0]=4 480 B13R2.155 c1cc(nc2c1CNC(=O)C2)Cl AB77210 [0,1,0,1,0,0|2,0,0]=4 481 B13R2.155 c1cc2c(cc1Br)CC(=O)CC2 AB17100 [0,1,0,1,0,0|1,0,0]=3 482 B13R2.155 c1cc2c(cc1Br)CC(=O)CO2 AB56614 [0,1,0,1,0,0|2,0,0]=4 483 B13R2.155 c1cc2c(cc1Cl)CC(=O)CC2 AB17122 [0,1,0,1,0,0|1,0,0]=3 484 B13R2.155 c1cc2c(cc1Cl)CC(=O)CO2 AB56616 [0,1,0,1,0,0|2,0,0]=4 485 B13R2.155 c1cc2c(cc1F)CC(=O)CC2 AB17129 [0,1,0,1,0,0|1,0,0]=3 486 B13R2.155 c1cc2c(cc1F)CC(=O)CO2 AB56620 [0,1,0,1,0,0|2,0,0]=4 487 B13R2.155 c1cc2c(cc1N)CC(=O)CC2 AB21791 [0,1,0,1,0,0|1,0,0]=3 488 B13R2.155 c1cc2c(cc1N)NC(=O)CC2 MB04272 [0,1,0,1,0,0|2,0,0]=4 489 B13R2.155 c1cc2c(cc1O)CC(=O)CC2 AB17138 [0,1,0,1,0,0|1,0,0]=3 490 B13R2.155 c1cc2c(cc1O)NC(=O)CC2 AB25068 [0,1,0,1,0,0|2,0,0]=4 491 B13R2.5179 Cc1c2c(ccn1)CC(=O)NC2 AB77272 [0,1,0,1,0,0|2,0,0]=4 492 B13R2.5179 c1cc2c(c(c1)Br)CCC(=O)C2 AB17098 [0,1,0,1,0,0|1,0,0]=3 493 B13R2.5179 c1cc2c(c(c1)Cl)CCC(=O)C2 AB17118 [0,1,0,1,0,0|1,0,0]=3 494 B13R2.5179 c1cc2c(c(c1)F)CCC(=O)C2 AB17125 [0,1,0,1,0,0|1,0,0]=3 495 B13R2.5179 c1cc2c(c(c1)O)CCC(=O)C2 MB03115 [0,1,0,1,0,0|1,0,0]=3 496 B13R2.5179 c1cnc(c2c1CC(=O)NC2)Br AB77268 [0,1,0,1,0,0|2,0,0]=4 497 B13R2.5179 c1cnc(c2c1CC(=O)NC2)Cl AB77267 [0,1,0,1,0,0|2,0,0]=4 498 B13R2.5190 CN1c2ccc(cc2CC1=O)N PB12659 [0,1,0,1,0,0|1,0,0]=3 499 B13R2.162 Cc1cccc2c1NC(=O)CC2 MB01240 [0,1,0,1,0,0|2,0,0]=4 500 B13R2.162 c1cc2c(c(c1)Br)CC(=O)CC2 AB13241 [0,1,0,1,0,0|1,0,0]=3 501 B13R2.162 c1cc2c(c(c1)Cl)CC(=O)CC2 AB17123 [0,1,0,1,0,0|1,0,0]=3 502 B13R2.162 c1cc2c(c(c1)F)CC(=O)CC2 AB17130 [0,1,0,1,0,0|1,0,0]=3 503 B13R2.162 c1cc2c(c(c1)O)NC(=O)CC2 AB22449 [0,1,0,1,0,0|2,0,0]=4 504 B13R2.4825 CN1c2cccc(c2CC1=O)Br PB19105 [0,1,0,1,0,0|1,0,0]=3 505 B9R1.6 CC(=O)c1ccccn1 AB00686 [1,0,0,0,1,0|1,0,0]=3 506 B9R1.6 CC(=O)c1cccnc1 AB00750 [1,0,0,0,1,0|1,0,0]=3 507 B9R1.6 CC(=O)c1cccnn1 PB16551 [1,0,0,0,1,0|2,0,0]=4 508 B9R1.6 CC(=O)c1ccncc1 AB00760 [1,0,0,0,1,0|1,0,0]=3 509 B9R1.6 CC(=O)c1ccncn1 PB17606 [1,0,0,0,1,0|2,0,0]=4 510 B9R1.6 CC(=O)c1ccnnc1 PB26895 [1,0,0,0,1,0|2,0,0]=4 511 B9R1.6 CC(=O)c1cnccn1 AB00602 [1,0,0,0,1,0|2,0,0]=4 512 B9R1.6 CC(=O)c1cncnc1 PB20327 [1,0,0,0,1,0|2,0,0]=4 513 B9R1.6 CC(=O)c1ncccn1 PB34295 [1,0,0,0,1,0|2,0,0]=4 514 B9R1.6 CC(c1ccccc1)Cl AB01249 [1,0,0,0,1,0|1,0,1]=4 515 B9R1.6 c1c(cncn1)C(=O)O PB23195 [1,0,0,0,1,0|2,0,0]=4 516 B9R1.6 c1cc(nnc1)C(=O)O PB21767 [1,0,0,0,1,0|2,0,0]=4 517 B9R1.6 c1ccc(cc1)C(=N)N AB01943 [1,0,0,0,1,0|2,0,0]=4 518 B9R1.6 c1ccnc(c1)C(=O)O AB00685 [1,0,0,0,1,0|1,0,0]=3 519 B9R1.6 c1cnc(cn1)C(=O)O PB27363 [1,0,0,0,1,0|2,0,0]=4 520 B9R1.6 c1cnc(nc1)C(=O)O PB18516 [1,0,0,0,1,0|2,0,0]=4 521 B9R1.6 c1cnccc1C(=O)O AB00757 [1,0,0,0,1,0|1,0,0]=3 522 B9R1.6 c1cncnc1C(=O)O PB29023 [1,0,0,0,1,0|2,0,0]=4 523 B9R1.6 c1cnncc1C(=O)O PB17054 [1,0,0,0,1,0|2,0,0]=4 524 B9R1.13 CC(=O)Nc1ccsc1 AB04169 [1,0,0,0,1,0|2,0,0]=4 525 B9R1.13 c1cc(sc1)CC(=O)O PB27359 [1,0,0,0,1,0|1,0,0]=3 526 B9R1.13 c1cn(cn1)CC(=O)O AB09874 [1,0,0,0,1,0|2,0,0]=4 527 B9R1.13 c1csc(n1)CC(=O)O PB23269 [1,0,0,0,1,0|2,0,0]=4 528 B9R1.13 c1cscc1CC(=O)O PB28939 [1,0,0,0,1,0|1,0,0]=3 529 B9R1.11 COC(=O)C1=CN=CC1 AB07842 [0,0,0,0,2,0|1,0,1]=4 530 B9R1.11 COC(=O)c1[nH]ccn1 PB18713 [0,0,0,0,2,0|2,0,0]=4 531 B9R1.11 COC(=O)c1ccsc1 PB18711 [0,0,0,0,2,0|1,0,0]=3 532 B9R1.11 COC(=O)c1cncs1 AB16044 [0,0,0,0,2,0|2,0,0]=4 533 B9R1.11 COC(=O)c1cnoc1 AB39248 [0,0,0,0,2,0|2,0,0]=4 534 B9R1.11 COC(=O)c1cscn1 AB25133 [0,0,0,0,2,0|2,0,0]=4 535 B9R1.11 COC(=O)c1ncco1 AB42108 [0,0,0,0,2,0|2,0,0]=4 536 B9R1.11 c1cc(sc1)C(=O)O[Cu] AB11500 [0,0,0,0,2,0|2,0,0]=4 537 B13R1.718 COC(=O)COCc1ccccc1 AB63738 [0,0,0,0,0,2|0,0,0]=2 538 B13R1.718 COC(=O)NCCc1ccccc1 AB09088 [0,0,0,0,0,2|0,0,0]=2 539 B13R1.718 c1ccc(cc1)CONC(=O)CN AB24869 [0,0,0,0,0,2|2,0,0]=4